USER MOD reduce.3.24.130724 H: found=0, std=0, add=1588, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 57 MET CE :methyl -116:sc= -2.1 (180deg=-6.53!) USER MOD Set 1.2: B 68 CYS SG : rot -109:sc= 1.42 USER MOD Set 2.1: B 25 HIS : no HD1:sc= -2.15! K(o=-2.1!,f=0.38) USER MOD Set 2.2: B 26 LYS NZ :NH3+ -123:sc= 0.0517 (180deg=-0.004) USER MOD Set 3.1: A 81 THR OG1 : rot 88:sc= 0.577 USER MOD Set 3.2: B 7 MET CE :methyl 177:sc=-0.00705 (180deg=-0.0269) USER MOD Set 4.1: A 78 SER OG : rot 39:sc= 0.15 USER MOD Set 4.2: B 78 SER OG : rot 33:sc= 0.193 USER MOD Set 5.1: A 57 MET CE :methyl -114:sc= -2.25 (180deg=-6.69!) USER MOD Set 5.2: A 68 CYS SG : rot -92:sc= 1.46 USER MOD Set 6.1: A 25 HIS : no HD1:sc= -2.22! K(o=-2.2!,f=0.37) USER MOD Set 6.2: A 26 LYS NZ :NH3+ -124:sc= 0.0632 (180deg=-0.00894) USER MOD Set 7.1: A 7 MET CE :methyl 167:sc= 0 (180deg=-0.0298) USER MOD Set 7.2: B 81 THR OG1 : rot 89:sc= 0.585 USER MOD Single : A 0 MET CE :methyl 135:sc= -0.114 (180deg=-0.939) USER MOD Single : A 0 MET N :NH3+ -161:sc= -0.0226 (180deg=-0.39) USER MOD Single : A 1 SER OG : rot -57:sc= -0.769 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.02 X(o=-0.02,f=-0.069) USER MOD Single : A 16 GLN : amide:sc= -0.264 X(o=-0.26,f=-0.12) USER MOD Single : A 17 TYR OH : rot 180:sc= -0.209 USER MOD Single : A 18 SER OG : rot 80:sc= -0.705 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.644 USER MOD Single : A 33 LYS NZ :NH3+ -142:sc= -4.93! (180deg=-6.84!) USER MOD Single : A 37 ASN : amide:sc= -0.0211 X(o=-0.021,f=-0.021) USER MOD Single : A 38 ASN : amide:sc= -1.67! K(o=-1.7!,f=-0.6) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.349 K(o=-0.35,f=-2.2) USER MOD Single : A 48 LYS NZ :NH3+ -169:sc= -0.077 (180deg=-0.244) USER MOD Single : A 50 GLN : amide:sc= -1.6 K(o=-1.6,f=-4.3!) USER MOD Single : A 55 LYS NZ :NH3+ 159:sc= -0.0601 (180deg=-0.552) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 74 MET CE :methyl -148:sc= -2.02 (180deg=-4.99!) USER MOD Single : A 79 MET CE :methyl -165:sc= -0.552 (180deg=-1.38!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.091 USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HD1:sc= -0.0196 X(o=-0.02,f=0) USER MOD Single : B 0 MET CE :methyl 155:sc= -0.0783 (180deg=-0.908) USER MOD Single : B 0 MET N :NH3+ -161:sc= -0.0372 (180deg=-0.383) USER MOD Single : B 1 SER OG : rot 180:sc= -0.942 USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.0149 X(o=-0.015,f=-0.086) USER MOD Single : B 16 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.12) USER MOD Single : B 17 TYR OH : rot 150:sc= -0.212 USER MOD Single : B 18 SER OG : rot 114:sc= -0.688 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 SER OG : rot 180:sc= -0.623 USER MOD Single : B 33 LYS NZ :NH3+ -145:sc= -5.1! (180deg=-7.2!) USER MOD Single : B 37 ASN : amide:sc=-0.00704 X(o=-0.007,f=-0.007) USER MOD Single : B 38 ASN : amide:sc= -1.55! K(o=-1.5!,f=-0.7) USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 HIS : no HD1:sc= -0.353 K(o=-0.35,f=-2.2) USER MOD Single : B 48 LYS NZ :NH3+ -162:sc=-0.00421 (180deg=-0.256) USER MOD Single : B 50 GLN : amide:sc= -1.55 K(o=-1.5,f=-4.2!) USER MOD Single : B 55 LYS NZ :NH3+ 159:sc= -0.0514 (180deg=-0.535) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : B 74 MET CE :methyl -149:sc= -2.11 (180deg=-4.96!) USER MOD Single : B 79 MET CE :methyl -164:sc= -0.543 (180deg=-1.46!) USER MOD Single : B 82 THR OG1 : rot 180:sc= 0.0795 USER MOD Single : B 84 CYS SG : rot 180:sc= 0 USER MOD Single : B 85 HIS : no HD1:sc= -0.0387 X(o=-0.039,f=-0.0024) USER MOD Single : X 105 HIS : no HD1:sc= -4.16! K(o=-4.2!,f=-2.1) USER MOD Single : X 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 107 LYS NZ :NH3+ 157:sc= -0.119 (180deg=-0.772) USER MOD Single : X 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : X 111 LYS NZ :NH3+ -130:sc= -1.2! (180deg=-2.26!) USER MOD Single : X 112 THR OG1 : rot -30:sc= 0.641 USER MOD Single : Y 105 HIS : no HD1:sc= -4.27! K(o=-4.3!,f=-2) USER MOD Single : Y 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : Y 107 LYS NZ :NH3+ 160:sc= -0.0767 (180deg=-0.756) USER MOD Single : Y 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : Y 111 LYS NZ :NH3+ -121:sc= -1.53! (180deg=-2.24!) USER MOD Single : Y 112 THR OG1 : rot -26:sc= 0.675 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 1.169 -2.385 -12.416 1.00 0.00 N ATOM 2 CA MET A 0 0.306 -2.769 -13.570 1.00 0.00 C ATOM 3 C MET A 0 -0.836 -1.759 -13.717 1.00 0.00 C ATOM 4 O MET A 0 -1.931 -1.971 -13.235 1.00 0.00 O ATOM 5 CB MET A 0 -0.272 -4.164 -13.328 1.00 0.00 C ATOM 6 CG MET A 0 0.856 -5.195 -13.379 1.00 0.00 C ATOM 7 SD MET A 0 0.181 -6.852 -13.093 1.00 0.00 S ATOM 8 CE MET A 0 -0.732 -7.017 -14.649 1.00 0.00 C ATOM 0 H1 MET A 0 2.094 -2.853 -12.503 1.00 0.00 H new ATOM 0 H2 MET A 0 1.302 -1.354 -12.410 1.00 0.00 H new ATOM 0 H3 MET A 0 0.714 -2.680 -11.529 1.00 0.00 H new ATOM 0 HA MET A 0 0.901 -2.774 -14.483 1.00 0.00 H new ATOM 0 HB2 MET A 0 -0.770 -4.201 -12.359 1.00 0.00 H new ATOM 0 HB3 MET A 0 -1.025 -4.394 -14.082 1.00 0.00 H new ATOM 0 HG2 MET A 0 1.353 -5.157 -14.348 1.00 0.00 H new ATOM 0 HG3 MET A 0 1.608 -4.963 -12.625 1.00 0.00 H new ATOM 0 HE1 MET A 0 -0.552 -8.005 -15.074 1.00 0.00 H new ATOM 0 HE2 MET A 0 -1.798 -6.892 -14.460 1.00 0.00 H new ATOM 0 HE3 MET A 0 -0.396 -6.254 -15.351 1.00 0.00 H new ATOM 20 N SER A 1 -0.588 -0.663 -14.381 1.00 0.00 N ATOM 21 CA SER A 1 -1.659 0.364 -14.564 1.00 0.00 C ATOM 22 C SER A 1 -2.169 0.828 -13.194 1.00 0.00 C ATOM 23 O SER A 1 -3.306 1.230 -13.045 1.00 0.00 O ATOM 24 CB SER A 1 -2.813 -0.236 -15.376 1.00 0.00 C ATOM 25 OG SER A 1 -3.518 0.812 -16.029 1.00 0.00 O ATOM 0 H SER A 1 0.310 -0.432 -14.806 1.00 0.00 H new ATOM 0 HA SER A 1 -1.252 1.221 -15.101 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.428 -0.944 -16.110 1.00 0.00 H new ATOM 0 HB3 SER A 1 -3.485 -0.790 -14.721 1.00 0.00 H new ATOM 0 HG SER A 1 -3.831 1.460 -15.364 1.00 0.00 H new ATOM 31 N GLU A 2 -1.328 0.787 -12.201 1.00 0.00 N ATOM 32 CA GLU A 2 -1.736 1.235 -10.838 1.00 0.00 C ATOM 33 C GLU A 2 -1.767 2.761 -10.808 1.00 0.00 C ATOM 34 O GLU A 2 -1.828 3.375 -9.762 1.00 0.00 O ATOM 35 CB GLU A 2 -0.727 0.722 -9.809 1.00 0.00 C ATOM 36 CG GLU A 2 0.686 1.134 -10.225 1.00 0.00 C ATOM 37 CD GLU A 2 1.693 0.612 -9.199 1.00 0.00 C ATOM 38 OE1 GLU A 2 1.749 1.170 -8.115 1.00 0.00 O ATOM 39 OE2 GLU A 2 2.390 -0.338 -9.514 1.00 0.00 O ATOM 0 H GLU A 2 -0.365 0.459 -12.274 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.724 0.841 -10.598 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.959 1.127 -8.824 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.792 -0.363 -9.731 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.917 0.734 -11.213 1.00 0.00 H new ATOM 0 HG3 GLU A 2 0.753 2.220 -10.297 1.00 0.00 H new ATOM 46 N LEU A 3 -1.694 3.372 -11.953 1.00 0.00 N ATOM 47 CA LEU A 3 -1.682 4.858 -12.013 1.00 0.00 C ATOM 48 C LEU A 3 -2.968 5.433 -11.392 1.00 0.00 C ATOM 49 O LEU A 3 -2.952 6.490 -10.809 1.00 0.00 O ATOM 50 CB LEU A 3 -1.555 5.295 -13.494 1.00 0.00 C ATOM 51 CG LEU A 3 -0.586 6.477 -13.632 1.00 0.00 C ATOM 52 CD1 LEU A 3 -0.447 6.853 -15.110 1.00 0.00 C ATOM 53 CD2 LEU A 3 -1.130 7.676 -12.857 1.00 0.00 C ATOM 0 H LEU A 3 -1.642 2.903 -12.857 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.835 5.240 -11.443 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.202 4.458 -14.096 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.535 5.575 -13.881 1.00 0.00 H new ATOM 0 HG LEU A 3 0.388 6.194 -13.232 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.241 7.693 -15.209 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.061 6.000 -15.668 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.422 7.135 -15.507 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.442 8.515 -12.955 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.104 7.957 -13.258 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.233 7.412 -11.804 1.00 0.00 H new ATOM 65 N GLU A 4 -4.076 4.762 -11.524 1.00 0.00 N ATOM 66 CA GLU A 4 -5.349 5.302 -10.942 1.00 0.00 C ATOM 67 C GLU A 4 -5.218 5.471 -9.427 1.00 0.00 C ATOM 68 O GLU A 4 -5.698 6.429 -8.854 1.00 0.00 O ATOM 69 CB GLU A 4 -6.494 4.327 -11.232 1.00 0.00 C ATOM 70 CG GLU A 4 -6.828 4.341 -12.723 1.00 0.00 C ATOM 71 CD GLU A 4 -7.859 3.251 -13.022 1.00 0.00 C ATOM 72 OE1 GLU A 4 -8.248 2.561 -12.094 1.00 0.00 O ATOM 73 OE2 GLU A 4 -8.245 3.126 -14.173 1.00 0.00 O ATOM 0 H GLU A 4 -4.162 3.867 -12.006 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.553 6.272 -11.394 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.212 3.320 -10.924 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.374 4.604 -10.651 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.220 5.317 -13.010 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.925 4.175 -13.311 1.00 0.00 H new ATOM 80 N LYS A 5 -4.587 4.542 -8.777 1.00 0.00 N ATOM 81 CA LYS A 5 -4.433 4.629 -7.297 1.00 0.00 C ATOM 82 C LYS A 5 -3.510 5.786 -6.937 1.00 0.00 C ATOM 83 O LYS A 5 -3.724 6.479 -5.968 1.00 0.00 O ATOM 84 CB LYS A 5 -3.840 3.319 -6.780 1.00 0.00 C ATOM 85 CG LYS A 5 -4.883 2.208 -6.911 1.00 0.00 C ATOM 86 CD LYS A 5 -4.300 0.888 -6.395 1.00 0.00 C ATOM 87 CE LYS A 5 -3.106 0.462 -7.264 1.00 0.00 C ATOM 88 NZ LYS A 5 -2.969 -1.021 -7.217 1.00 0.00 N ATOM 0 H LYS A 5 -4.166 3.718 -9.207 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.407 4.800 -6.839 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.945 3.062 -7.347 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.537 3.429 -5.739 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.778 2.467 -6.345 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.185 2.101 -7.953 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.983 1.002 -5.358 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.066 0.113 -6.410 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.253 0.793 -8.292 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.192 0.935 -6.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.162 -1.314 -7.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.811 -1.324 -6.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.839 -1.462 -7.579 1.00 0.00 H new ATOM 102 N ALA A 6 -2.469 5.980 -7.691 1.00 0.00 N ATOM 103 CA ALA A 6 -1.515 7.080 -7.372 1.00 0.00 C ATOM 104 C ALA A 6 -2.172 8.449 -7.548 1.00 0.00 C ATOM 105 O ALA A 6 -1.942 9.355 -6.777 1.00 0.00 O ATOM 106 CB ALA A 6 -0.299 6.980 -8.294 1.00 0.00 C ATOM 0 H ALA A 6 -2.235 5.426 -8.515 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.208 6.977 -6.331 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.400 7.784 -8.063 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.192 6.018 -8.146 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.621 7.067 -9.332 1.00 0.00 H new ATOM 112 N MET A 7 -2.962 8.617 -8.562 1.00 0.00 N ATOM 113 CA MET A 7 -3.607 9.937 -8.791 1.00 0.00 C ATOM 114 C MET A 7 -4.569 10.254 -7.656 1.00 0.00 C ATOM 115 O MET A 7 -4.675 11.378 -7.197 1.00 0.00 O ATOM 116 CB MET A 7 -4.365 9.912 -10.119 1.00 0.00 C ATOM 117 CG MET A 7 -3.354 9.838 -11.261 1.00 0.00 C ATOM 118 SD MET A 7 -4.210 9.945 -12.853 1.00 0.00 S ATOM 119 CE MET A 7 -2.902 10.814 -13.758 1.00 0.00 C ATOM 0 H MET A 7 -3.192 7.897 -9.247 1.00 0.00 H new ATOM 0 HA MET A 7 -2.837 10.708 -8.826 1.00 0.00 H new ATOM 0 HB2 MET A 7 -5.037 9.055 -10.154 1.00 0.00 H new ATOM 0 HB3 MET A 7 -4.982 10.805 -10.218 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.632 10.650 -11.172 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.794 8.905 -11.202 1.00 0.00 H new ATOM 0 HE1 MET A 7 -3.117 10.784 -14.826 1.00 0.00 H new ATOM 0 HE2 MET A 7 -2.857 11.851 -13.426 1.00 0.00 H new ATOM 0 HE3 MET A 7 -1.944 10.330 -13.567 1.00 0.00 H new ATOM 129 N VAL A 8 -5.276 9.269 -7.214 1.00 0.00 N ATOM 130 CA VAL A 8 -6.261 9.480 -6.120 1.00 0.00 C ATOM 131 C VAL A 8 -5.538 9.784 -4.804 1.00 0.00 C ATOM 132 O VAL A 8 -6.004 10.556 -3.990 1.00 0.00 O ATOM 133 CB VAL A 8 -7.111 8.216 -5.962 1.00 0.00 C ATOM 134 CG1 VAL A 8 -7.970 8.320 -4.696 1.00 0.00 C ATOM 135 CG2 VAL A 8 -8.015 8.060 -7.188 1.00 0.00 C ATOM 0 H VAL A 8 -5.218 8.312 -7.563 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.899 10.327 -6.370 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.458 7.348 -5.876 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.572 7.418 -4.590 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.323 8.429 -3.825 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.626 9.187 -4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.622 7.161 -7.080 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.666 8.930 -7.273 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.401 7.978 -8.085 1.00 0.00 H new ATOM 145 N ALA A 9 -4.431 9.146 -4.575 1.00 0.00 N ATOM 146 CA ALA A 9 -3.695 9.350 -3.292 1.00 0.00 C ATOM 147 C ALA A 9 -3.076 10.740 -3.213 1.00 0.00 C ATOM 148 O ALA A 9 -3.072 11.357 -2.171 1.00 0.00 O ATOM 149 CB ALA A 9 -2.591 8.311 -3.173 1.00 0.00 C ATOM 0 H ALA A 9 -3.997 8.487 -5.222 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.410 9.247 -2.476 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.052 8.458 -2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.028 7.313 -3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.900 8.417 -4.010 1.00 0.00 H new ATOM 155 N LEU A 10 -2.534 11.235 -4.283 1.00 0.00 N ATOM 156 CA LEU A 10 -1.905 12.583 -4.215 1.00 0.00 C ATOM 157 C LEU A 10 -2.969 13.589 -3.804 1.00 0.00 C ATOM 158 O LEU A 10 -2.731 14.480 -3.015 1.00 0.00 O ATOM 159 CB LEU A 10 -1.352 12.962 -5.590 1.00 0.00 C ATOM 160 CG LEU A 10 -0.198 12.017 -5.980 1.00 0.00 C ATOM 161 CD1 LEU A 10 -0.077 11.952 -7.505 1.00 0.00 C ATOM 162 CD2 LEU A 10 1.128 12.533 -5.406 1.00 0.00 C ATOM 0 H LEU A 10 -2.497 10.775 -5.193 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.089 12.579 -3.492 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.145 12.907 -6.336 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.998 13.993 -5.576 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.411 11.027 -5.577 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.740 11.283 -7.777 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.009 11.578 -7.928 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.125 12.949 -7.897 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.935 11.857 -5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.333 13.528 -5.802 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.060 12.582 -4.319 1.00 0.00 H new ATOM 174 N ILE A 11 -4.147 13.438 -4.327 1.00 0.00 N ATOM 175 CA ILE A 11 -5.248 14.364 -3.968 1.00 0.00 C ATOM 176 C ILE A 11 -5.600 14.225 -2.477 1.00 0.00 C ATOM 177 O ILE A 11 -5.877 15.203 -1.811 1.00 0.00 O ATOM 178 CB ILE A 11 -6.466 14.066 -4.858 1.00 0.00 C ATOM 179 CG1 ILE A 11 -6.158 14.549 -6.286 1.00 0.00 C ATOM 180 CG2 ILE A 11 -7.712 14.775 -4.316 1.00 0.00 C ATOM 181 CD1 ILE A 11 -7.232 14.058 -7.262 1.00 0.00 C ATOM 0 H ILE A 11 -4.397 12.707 -4.993 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.933 15.394 -4.136 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.664 12.994 -4.863 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.111 15.638 -6.306 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.180 14.182 -6.597 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.565 14.553 -4.958 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -7.918 14.425 -3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.540 15.851 -4.300 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.998 14.409 -8.267 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.259 12.968 -7.255 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.204 14.447 -6.959 1.00 0.00 H new ATOM 193 N ASP A 12 -5.614 13.027 -1.945 1.00 0.00 N ATOM 194 CA ASP A 12 -5.978 12.867 -0.500 1.00 0.00 C ATOM 195 C ASP A 12 -4.958 13.571 0.414 1.00 0.00 C ATOM 196 O ASP A 12 -5.318 14.174 1.405 1.00 0.00 O ATOM 197 CB ASP A 12 -6.016 11.378 -0.151 1.00 0.00 C ATOM 198 CG ASP A 12 -7.218 10.722 -0.833 1.00 0.00 C ATOM 199 OD1 ASP A 12 -8.090 11.449 -1.280 1.00 0.00 O ATOM 200 OD2 ASP A 12 -7.249 9.504 -0.894 1.00 0.00 O ATOM 0 H ASP A 12 -5.393 12.163 -2.440 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.956 13.322 -0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.094 10.895 -0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.083 11.249 0.929 1.00 0.00 H new ATOM 205 N VAL A 13 -3.693 13.488 0.099 1.00 0.00 N ATOM 206 CA VAL A 13 -2.650 14.137 0.961 1.00 0.00 C ATOM 207 C VAL A 13 -2.717 15.670 0.817 1.00 0.00 C ATOM 208 O VAL A 13 -2.474 16.405 1.762 1.00 0.00 O ATOM 209 CB VAL A 13 -1.252 13.564 0.565 1.00 0.00 C ATOM 210 CG1 VAL A 13 -0.202 14.671 0.381 1.00 0.00 C ATOM 211 CG2 VAL A 13 -0.747 12.596 1.650 1.00 0.00 C ATOM 0 H VAL A 13 -3.331 12.998 -0.720 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.829 13.914 2.013 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.384 13.045 -0.385 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.753 14.224 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.525 15.351 -0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.089 15.224 1.313 1.00 0.00 H new ATOM 0 HG21 VAL A 13 0.228 12.203 1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.659 13.126 2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.452 11.772 1.759 1.00 0.00 H new ATOM 221 N PHE A 14 -3.036 16.168 -0.341 1.00 0.00 N ATOM 222 CA PHE A 14 -3.094 17.645 -0.495 1.00 0.00 C ATOM 223 C PHE A 14 -4.137 18.180 0.481 1.00 0.00 C ATOM 224 O PHE A 14 -3.945 19.192 1.110 1.00 0.00 O ATOM 225 CB PHE A 14 -3.479 18.007 -1.933 1.00 0.00 C ATOM 226 CG PHE A 14 -3.529 19.512 -2.089 1.00 0.00 C ATOM 227 CD1 PHE A 14 -2.342 20.233 -2.278 1.00 0.00 C ATOM 228 CD2 PHE A 14 -4.757 20.185 -2.061 1.00 0.00 C ATOM 229 CE1 PHE A 14 -2.384 21.624 -2.436 1.00 0.00 C ATOM 230 CE2 PHE A 14 -4.798 21.576 -2.218 1.00 0.00 C ATOM 231 CZ PHE A 14 -3.611 22.295 -2.405 1.00 0.00 C ATOM 0 H PHE A 14 -3.256 15.626 -1.177 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.120 18.087 -0.283 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -2.755 17.584 -2.630 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.449 17.575 -2.179 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.394 19.716 -2.302 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.673 19.631 -1.918 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.469 22.179 -2.582 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -5.745 22.094 -2.195 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.643 23.368 -2.525 1.00 0.00 H new ATOM 241 N HIS A 15 -5.232 17.491 0.624 1.00 0.00 N ATOM 242 CA HIS A 15 -6.291 17.940 1.573 1.00 0.00 C ATOM 243 C HIS A 15 -5.901 17.592 3.014 1.00 0.00 C ATOM 244 O HIS A 15 -6.410 18.171 3.956 1.00 0.00 O ATOM 245 CB HIS A 15 -7.603 17.240 1.231 1.00 0.00 C ATOM 246 CG HIS A 15 -8.721 17.838 2.042 1.00 0.00 C ATOM 247 ND1 HIS A 15 -9.077 19.175 1.939 1.00 0.00 N ATOM 248 CD2 HIS A 15 -9.571 17.293 2.973 1.00 0.00 C ATOM 249 CE1 HIS A 15 -10.102 19.388 2.787 1.00 0.00 C ATOM 250 NE2 HIS A 15 -10.438 18.274 3.439 1.00 0.00 N ATOM 0 H HIS A 15 -5.442 16.629 0.121 1.00 0.00 H new ATOM 0 HA HIS A 15 -6.406 19.020 1.486 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -7.816 17.344 0.167 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -7.522 16.173 1.437 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -9.566 16.262 3.293 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.591 20.342 2.922 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -11.177 18.165 4.134 1.00 0.00 H new ATOM 259 N GLN A 16 -5.031 16.634 3.200 1.00 0.00 N ATOM 260 CA GLN A 16 -4.649 16.229 4.583 1.00 0.00 C ATOM 261 C GLN A 16 -4.198 17.443 5.390 1.00 0.00 C ATOM 262 O GLN A 16 -4.592 17.603 6.528 1.00 0.00 O ATOM 263 CB GLN A 16 -3.509 15.200 4.507 1.00 0.00 C ATOM 264 CG GLN A 16 -2.926 14.924 5.898 1.00 0.00 C ATOM 265 CD GLN A 16 -4.041 14.505 6.857 1.00 0.00 C ATOM 266 OE1 GLN A 16 -4.749 13.550 6.605 1.00 0.00 O ATOM 267 NE2 GLN A 16 -4.228 15.182 7.957 1.00 0.00 N ATOM 0 H GLN A 16 -4.569 16.115 2.453 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.514 15.788 5.079 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.880 14.271 4.073 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -2.724 15.569 3.846 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.173 14.138 5.837 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -2.426 15.816 6.276 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -3.634 15.984 8.170 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -4.968 14.909 8.604 1.00 0.00 H new ATOM 276 N TYR A 17 -3.366 18.289 4.835 1.00 0.00 N ATOM 277 CA TYR A 17 -2.883 19.489 5.616 1.00 0.00 C ATOM 278 C TYR A 17 -3.346 20.805 4.974 1.00 0.00 C ATOM 279 O TYR A 17 -3.445 21.818 5.638 1.00 0.00 O ATOM 280 CB TYR A 17 -1.356 19.460 5.673 1.00 0.00 C ATOM 281 CG TYR A 17 -0.808 19.633 4.282 1.00 0.00 C ATOM 282 CD1 TYR A 17 -0.906 18.585 3.364 1.00 0.00 C ATOM 283 CD2 TYR A 17 -0.209 20.840 3.908 1.00 0.00 C ATOM 284 CE1 TYR A 17 -0.411 18.742 2.071 1.00 0.00 C ATOM 285 CE2 TYR A 17 0.294 20.998 2.615 1.00 0.00 C ATOM 286 CZ TYR A 17 0.192 19.949 1.691 1.00 0.00 C ATOM 287 OH TYR A 17 0.681 20.104 0.411 1.00 0.00 O ATOM 0 H TYR A 17 -2.999 18.210 3.887 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.306 19.440 6.620 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -0.989 20.254 6.323 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -1.013 18.516 6.097 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -1.366 17.652 3.656 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -0.135 21.650 4.619 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.492 17.933 1.361 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.761 21.928 2.327 1.00 0.00 H new ATOM 0 HH TYR A 17 1.066 21.000 0.314 1.00 0.00 H new ATOM 297 N SER A 18 -3.609 20.819 3.696 1.00 0.00 N ATOM 298 CA SER A 18 -4.037 22.099 3.046 1.00 0.00 C ATOM 299 C SER A 18 -5.363 22.593 3.635 1.00 0.00 C ATOM 300 O SER A 18 -5.513 23.757 3.950 1.00 0.00 O ATOM 301 CB SER A 18 -4.220 21.884 1.544 1.00 0.00 C ATOM 302 OG SER A 18 -3.022 21.352 0.996 1.00 0.00 O ATOM 0 H SER A 18 -3.548 20.011 3.076 1.00 0.00 H new ATOM 0 HA SER A 18 -3.263 22.844 3.228 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.051 21.203 1.361 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.468 22.827 1.058 1.00 0.00 H new ATOM 0 HG SER A 18 -2.980 20.389 1.175 1.00 0.00 H new ATOM 308 N GLY A 19 -6.332 21.729 3.763 1.00 0.00 N ATOM 309 CA GLY A 19 -7.654 22.163 4.304 1.00 0.00 C ATOM 310 C GLY A 19 -7.589 22.349 5.824 1.00 0.00 C ATOM 311 O GLY A 19 -8.602 22.359 6.493 1.00 0.00 O ATOM 0 H GLY A 19 -6.267 20.741 3.517 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.955 23.098 3.832 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.414 21.422 4.057 1.00 0.00 H new ATOM 315 N ARG A 20 -6.417 22.486 6.383 1.00 0.00 N ATOM 316 CA ARG A 20 -6.329 22.656 7.863 1.00 0.00 C ATOM 317 C ARG A 20 -7.092 23.917 8.311 1.00 0.00 C ATOM 318 O ARG A 20 -7.800 23.893 9.298 1.00 0.00 O ATOM 319 CB ARG A 20 -4.854 22.737 8.288 1.00 0.00 C ATOM 320 CG ARG A 20 -4.221 24.053 7.820 1.00 0.00 C ATOM 321 CD ARG A 20 -2.744 24.070 8.209 1.00 0.00 C ATOM 322 NE ARG A 20 -2.201 25.449 8.067 1.00 0.00 N ATOM 323 CZ ARG A 20 -1.103 25.783 8.690 1.00 0.00 C ATOM 324 NH1 ARG A 20 -0.502 24.918 9.461 1.00 0.00 N ATOM 325 NH2 ARG A 20 -0.613 26.985 8.553 1.00 0.00 N ATOM 0 H ARG A 20 -5.526 22.488 5.887 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.790 21.794 8.346 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.779 22.658 9.373 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.304 21.895 7.869 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -4.325 24.156 6.740 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.738 24.899 8.272 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.625 23.727 9.237 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.184 23.382 7.576 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.686 26.132 7.484 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.890 23.982 9.577 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.356 25.178 9.948 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.088 27.665 7.959 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.245 27.245 9.040 1.00 0.00 H new ATOM 339 N GLU A 21 -6.960 25.013 7.593 1.00 0.00 N ATOM 340 CA GLU A 21 -7.684 26.277 7.974 1.00 0.00 C ATOM 341 C GLU A 21 -8.744 26.600 6.918 1.00 0.00 C ATOM 342 O GLU A 21 -9.829 27.045 7.237 1.00 0.00 O ATOM 343 CB GLU A 21 -6.682 27.446 8.066 1.00 0.00 C ATOM 344 CG GLU A 21 -6.020 27.471 9.450 1.00 0.00 C ATOM 345 CD GLU A 21 -5.019 28.626 9.514 1.00 0.00 C ATOM 346 OE1 GLU A 21 -4.751 29.209 8.476 1.00 0.00 O ATOM 347 OE2 GLU A 21 -4.537 28.907 10.599 1.00 0.00 O ATOM 0 H GLU A 21 -6.380 25.087 6.757 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.164 26.135 8.942 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.921 27.343 7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -7.196 28.390 7.884 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -6.777 27.588 10.225 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.513 26.525 9.640 1.00 0.00 H new ATOM 354 N GLY A 22 -8.447 26.384 5.664 1.00 0.00 N ATOM 355 CA GLY A 22 -9.455 26.690 4.609 1.00 0.00 C ATOM 356 C GLY A 22 -8.771 26.939 3.261 1.00 0.00 C ATOM 357 O GLY A 22 -9.432 27.083 2.252 1.00 0.00 O ATOM 0 H GLY A 22 -7.559 26.013 5.327 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.157 25.861 4.518 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.034 27.568 4.896 1.00 0.00 H new ATOM 361 N ASP A 23 -7.463 26.990 3.211 1.00 0.00 N ATOM 362 CA ASP A 23 -6.802 27.225 1.902 1.00 0.00 C ATOM 363 C ASP A 23 -6.952 25.955 1.058 1.00 0.00 C ATOM 364 O ASP A 23 -5.998 25.405 0.555 1.00 0.00 O ATOM 365 CB ASP A 23 -5.321 27.553 2.132 1.00 0.00 C ATOM 366 CG ASP A 23 -5.173 28.344 3.433 1.00 0.00 C ATOM 367 OD1 ASP A 23 -6.134 28.986 3.825 1.00 0.00 O ATOM 368 OD2 ASP A 23 -4.102 28.295 4.015 1.00 0.00 O ATOM 0 H ASP A 23 -6.837 26.880 4.009 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.261 28.065 1.380 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -4.737 26.634 2.184 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.931 28.132 1.295 1.00 0.00 H new ATOM 373 N LYS A 24 -8.155 25.480 0.924 1.00 0.00 N ATOM 374 CA LYS A 24 -8.395 24.241 0.137 1.00 0.00 C ATOM 375 C LYS A 24 -8.093 24.481 -1.351 1.00 0.00 C ATOM 376 O LYS A 24 -7.550 23.628 -2.024 1.00 0.00 O ATOM 377 CB LYS A 24 -9.858 23.830 0.311 1.00 0.00 C ATOM 378 CG LYS A 24 -10.137 22.547 -0.471 1.00 0.00 C ATOM 379 CD LYS A 24 -11.519 22.009 -0.083 1.00 0.00 C ATOM 380 CE LYS A 24 -12.596 23.048 -0.413 1.00 0.00 C ATOM 381 NZ LYS A 24 -13.921 22.374 -0.516 1.00 0.00 N ATOM 0 H LYS A 24 -8.991 25.901 1.330 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.737 23.449 0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.078 23.677 1.368 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -10.513 24.628 -0.039 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.098 22.744 -1.542 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.371 21.802 -0.256 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -11.721 21.081 -0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -11.542 21.775 0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.625 23.815 0.361 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -12.357 23.550 -1.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.652 23.079 -0.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -13.888 21.657 -1.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.148 21.915 0.389 1.00 0.00 H new ATOM 395 N HIS A 25 -8.460 25.625 -1.879 1.00 0.00 N ATOM 396 CA HIS A 25 -8.212 25.896 -3.332 1.00 0.00 C ATOM 397 C HIS A 25 -6.822 26.513 -3.549 1.00 0.00 C ATOM 398 O HIS A 25 -6.395 26.711 -4.669 1.00 0.00 O ATOM 399 CB HIS A 25 -9.283 26.854 -3.860 1.00 0.00 C ATOM 400 CG HIS A 25 -9.301 28.109 -3.032 1.00 0.00 C ATOM 401 ND1 HIS A 25 -8.843 29.324 -3.522 1.00 0.00 N ATOM 402 CD2 HIS A 25 -9.732 28.360 -1.751 1.00 0.00 C ATOM 403 CE1 HIS A 25 -9.010 30.242 -2.552 1.00 0.00 C ATOM 404 NE2 HIS A 25 -9.547 29.705 -1.456 1.00 0.00 N ATOM 0 H HIS A 25 -8.919 26.380 -1.369 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.256 24.950 -3.872 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.082 27.099 -4.903 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.261 26.373 -3.828 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.150 27.626 -1.078 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -8.742 31.284 -2.649 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -9.774 30.182 -0.584 1.00 0.00 H new ATOM 413 N LYS A 26 -6.107 26.807 -2.498 1.00 0.00 N ATOM 414 CA LYS A 26 -4.738 27.394 -2.659 1.00 0.00 C ATOM 415 C LYS A 26 -3.869 26.950 -1.488 1.00 0.00 C ATOM 416 O LYS A 26 -4.352 26.702 -0.407 1.00 0.00 O ATOM 417 CB LYS A 26 -4.825 28.923 -2.708 1.00 0.00 C ATOM 418 CG LYS A 26 -5.269 29.474 -1.353 1.00 0.00 C ATOM 419 CD LYS A 26 -5.586 30.964 -1.503 1.00 0.00 C ATOM 420 CE LYS A 26 -5.813 31.591 -0.126 1.00 0.00 C ATOM 421 NZ LYS A 26 -7.131 31.144 0.406 1.00 0.00 N ATOM 0 H LYS A 26 -6.408 26.668 -1.533 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.295 27.046 -3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.855 29.341 -2.978 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.530 29.229 -3.481 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.147 28.936 -0.997 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.484 29.329 -0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.765 31.470 -2.011 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.473 31.095 -2.122 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.014 31.299 0.556 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.787 32.678 -0.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -7.713 31.975 0.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.617 30.567 -0.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.984 30.578 1.266 1.00 0.00 H new ATOM 435 N LEU A 27 -2.588 26.829 -1.704 1.00 0.00 N ATOM 436 CA LEU A 27 -1.669 26.377 -0.614 1.00 0.00 C ATOM 437 C LEU A 27 -0.734 27.521 -0.241 1.00 0.00 C ATOM 438 O LEU A 27 -0.102 28.108 -1.090 1.00 0.00 O ATOM 439 CB LEU A 27 -0.840 25.189 -1.129 1.00 0.00 C ATOM 440 CG LEU A 27 -0.224 24.418 0.052 1.00 0.00 C ATOM 441 CD1 LEU A 27 -1.242 23.405 0.611 1.00 0.00 C ATOM 442 CD2 LEU A 27 1.035 23.673 -0.420 1.00 0.00 C ATOM 0 H LEU A 27 -2.132 27.025 -2.595 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.245 26.077 0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.472 24.523 -1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.051 25.547 -1.790 1.00 0.00 H new ATOM 0 HG LEU A 27 0.043 25.125 0.837 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.796 22.865 1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.131 23.934 0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.520 22.699 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.470 23.127 0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.768 22.972 -1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.761 24.391 -0.802 1.00 0.00 H new ATOM 454 N LYS A 28 -0.637 27.852 1.020 1.00 0.00 N ATOM 455 CA LYS A 28 0.268 28.962 1.420 1.00 0.00 C ATOM 456 C LYS A 28 1.613 28.381 1.838 1.00 0.00 C ATOM 457 O LYS A 28 1.684 27.286 2.360 1.00 0.00 O ATOM 458 CB LYS A 28 -0.334 29.700 2.616 1.00 0.00 C ATOM 459 CG LYS A 28 -1.697 30.269 2.235 1.00 0.00 C ATOM 460 CD LYS A 28 -2.294 31.006 3.436 1.00 0.00 C ATOM 461 CE LYS A 28 -3.662 31.579 3.059 1.00 0.00 C ATOM 462 NZ LYS A 28 -4.183 32.402 4.187 1.00 0.00 N ATOM 0 H LYS A 28 -1.143 27.403 1.784 1.00 0.00 H new ATOM 0 HA LYS A 28 0.395 29.648 0.583 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.436 29.020 3.462 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.331 30.504 2.932 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.596 30.950 1.390 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.363 29.466 1.919 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.394 30.324 4.281 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.627 31.808 3.751 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.578 32.188 2.159 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.357 30.771 2.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.113 32.792 3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.278 31.808 5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.523 33.181 4.382 1.00 0.00 H new ATOM 476 N LYS A 29 2.681 29.112 1.647 1.00 0.00 N ATOM 477 CA LYS A 29 4.012 28.604 2.073 1.00 0.00 C ATOM 478 C LYS A 29 3.879 28.094 3.503 1.00 0.00 C ATOM 479 O LYS A 29 4.656 27.291 3.977 1.00 0.00 O ATOM 480 CB LYS A 29 5.040 29.742 2.022 1.00 0.00 C ATOM 481 CG LYS A 29 4.736 30.798 3.091 1.00 0.00 C ATOM 482 CD LYS A 29 5.638 32.014 2.858 1.00 0.00 C ATOM 483 CE LYS A 29 5.533 32.974 4.046 1.00 0.00 C ATOM 484 NZ LYS A 29 6.373 34.179 3.785 1.00 0.00 N ATOM 0 H LYS A 29 2.686 30.036 1.215 1.00 0.00 H new ATOM 0 HA LYS A 29 4.346 27.804 1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.042 29.340 2.175 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.029 30.204 1.035 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.687 31.092 3.043 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.907 30.387 4.086 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.671 31.692 2.729 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.346 32.524 1.940 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.495 33.267 4.200 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.863 32.478 4.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.303 34.832 4.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.364 33.890 3.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.038 34.655 2.923 1.00 0.00 H new ATOM 498 N SER A 30 2.875 28.570 4.181 1.00 0.00 N ATOM 499 CA SER A 30 2.640 28.136 5.588 1.00 0.00 C ATOM 500 C SER A 30 2.152 26.686 5.603 1.00 0.00 C ATOM 501 O SER A 30 2.717 25.839 6.266 1.00 0.00 O ATOM 502 CB SER A 30 1.581 29.033 6.227 1.00 0.00 C ATOM 503 OG SER A 30 1.314 28.577 7.546 1.00 0.00 O ATOM 0 H SER A 30 2.201 29.246 3.820 1.00 0.00 H new ATOM 0 HA SER A 30 3.571 28.212 6.150 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.929 30.066 6.250 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.668 29.017 5.632 1.00 0.00 H new ATOM 0 HG SER A 30 0.636 29.151 7.960 1.00 0.00 H new ATOM 509 N GLU A 31 1.112 26.390 4.868 1.00 0.00 N ATOM 510 CA GLU A 31 0.602 24.993 4.837 1.00 0.00 C ATOM 511 C GLU A 31 1.671 24.103 4.211 1.00 0.00 C ATOM 512 O GLU A 31 1.824 22.949 4.557 1.00 0.00 O ATOM 513 CB GLU A 31 -0.678 24.930 4.007 1.00 0.00 C ATOM 514 CG GLU A 31 -1.806 25.636 4.757 1.00 0.00 C ATOM 515 CD GLU A 31 -3.087 25.573 3.925 1.00 0.00 C ATOM 516 OE1 GLU A 31 -3.002 25.173 2.776 1.00 0.00 O ATOM 517 OE2 GLU A 31 -4.130 25.923 4.451 1.00 0.00 O ATOM 0 H GLU A 31 0.597 27.055 4.291 1.00 0.00 H new ATOM 0 HA GLU A 31 0.379 24.652 5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.519 25.403 3.038 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.949 23.892 3.815 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.965 25.163 5.726 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.535 26.674 4.950 1.00 0.00 H new ATOM 524 N LEU A 32 2.420 24.645 3.294 1.00 0.00 N ATOM 525 CA LEU A 32 3.491 23.853 2.638 1.00 0.00 C ATOM 526 C LEU A 32 4.477 23.388 3.704 1.00 0.00 C ATOM 527 O LEU A 32 4.947 22.274 3.684 1.00 0.00 O ATOM 528 CB LEU A 32 4.206 24.752 1.628 1.00 0.00 C ATOM 529 CG LEU A 32 5.342 23.992 0.939 1.00 0.00 C ATOM 530 CD1 LEU A 32 4.794 22.741 0.236 1.00 0.00 C ATOM 531 CD2 LEU A 32 5.997 24.924 -0.087 1.00 0.00 C ATOM 0 H LEU A 32 2.335 25.608 2.970 1.00 0.00 H new ATOM 0 HA LEU A 32 3.073 22.985 2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.495 25.108 0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.604 25.632 2.134 1.00 0.00 H new ATOM 0 HG LEU A 32 6.077 23.675 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.612 22.209 -0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.322 22.088 0.970 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.058 23.037 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.810 24.399 -0.589 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.255 25.233 -0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.392 25.804 0.421 1.00 0.00 H new ATOM 543 N LYS A 33 4.778 24.236 4.639 1.00 0.00 N ATOM 544 CA LYS A 33 5.718 23.857 5.734 1.00 0.00 C ATOM 545 C LYS A 33 5.136 22.700 6.551 1.00 0.00 C ATOM 546 O LYS A 33 5.842 21.804 6.968 1.00 0.00 O ATOM 547 CB LYS A 33 5.939 25.079 6.637 1.00 0.00 C ATOM 548 CG LYS A 33 6.729 24.697 7.897 1.00 0.00 C ATOM 549 CD LYS A 33 8.043 24.013 7.511 1.00 0.00 C ATOM 550 CE LYS A 33 8.999 24.038 8.704 1.00 0.00 C ATOM 551 NZ LYS A 33 10.149 23.127 8.447 1.00 0.00 N ATOM 0 H LYS A 33 4.412 25.186 4.697 1.00 0.00 H new ATOM 0 HA LYS A 33 6.668 23.534 5.309 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.477 25.850 6.086 1.00 0.00 H new ATOM 0 HB3 LYS A 33 4.976 25.504 6.922 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.935 25.588 8.490 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.133 24.030 8.520 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.854 22.984 7.204 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.494 24.522 6.659 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.358 25.053 8.873 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.475 23.731 9.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 10.412 22.642 9.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 9.880 22.422 7.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.959 23.680 8.101 1.00 0.00 H new ATOM 565 N GLU A 34 3.860 22.727 6.807 1.00 0.00 N ATOM 566 CA GLU A 34 3.246 21.644 7.626 1.00 0.00 C ATOM 567 C GLU A 34 3.391 20.298 6.925 1.00 0.00 C ATOM 568 O GLU A 34 3.648 19.299 7.552 1.00 0.00 O ATOM 569 CB GLU A 34 1.768 21.948 7.885 1.00 0.00 C ATOM 570 CG GLU A 34 1.163 20.838 8.750 1.00 0.00 C ATOM 571 CD GLU A 34 -0.261 21.222 9.152 1.00 0.00 C ATOM 572 OE1 GLU A 34 -0.632 22.358 8.920 1.00 0.00 O ATOM 573 OE2 GLU A 34 -0.955 20.373 9.687 1.00 0.00 O ATOM 0 H GLU A 34 3.215 23.450 6.486 1.00 0.00 H new ATOM 0 HA GLU A 34 3.767 21.596 8.582 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.666 22.911 8.386 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.230 22.022 6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.155 19.897 8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.774 20.682 9.639 1.00 0.00 H new ATOM 580 N LEU A 35 3.226 20.247 5.641 1.00 0.00 N ATOM 581 CA LEU A 35 3.375 18.934 4.951 1.00 0.00 C ATOM 582 C LEU A 35 4.843 18.509 4.996 1.00 0.00 C ATOM 583 O LEU A 35 5.166 17.365 5.231 1.00 0.00 O ATOM 584 CB LEU A 35 2.916 19.065 3.484 1.00 0.00 C ATOM 585 CG LEU A 35 3.436 17.871 2.621 1.00 0.00 C ATOM 586 CD1 LEU A 35 2.383 17.446 1.596 1.00 0.00 C ATOM 587 CD2 LEU A 35 4.718 18.260 1.864 1.00 0.00 C ATOM 0 H LEU A 35 2.998 21.040 5.042 1.00 0.00 H new ATOM 0 HA LEU A 35 2.762 18.184 5.451 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.827 19.100 3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.281 20.004 3.068 1.00 0.00 H new ATOM 0 HG LEU A 35 3.646 17.046 3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.765 16.613 1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.475 17.137 2.114 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.157 18.285 0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.061 17.413 1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.510 19.104 1.206 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.492 18.539 2.579 1.00 0.00 H new ATOM 599 N ILE A 36 5.729 19.415 4.718 1.00 0.00 N ATOM 600 CA ILE A 36 7.170 19.056 4.680 1.00 0.00 C ATOM 601 C ILE A 36 7.743 18.795 6.077 1.00 0.00 C ATOM 602 O ILE A 36 8.539 17.897 6.260 1.00 0.00 O ATOM 603 CB ILE A 36 7.956 20.184 4.009 1.00 0.00 C ATOM 604 CG1 ILE A 36 7.432 20.380 2.578 1.00 0.00 C ATOM 605 CG2 ILE A 36 9.444 19.805 3.968 1.00 0.00 C ATOM 606 CD1 ILE A 36 8.061 21.629 1.955 1.00 0.00 C ATOM 0 H ILE A 36 5.519 20.392 4.515 1.00 0.00 H new ATOM 0 HA ILE A 36 7.264 18.132 4.110 1.00 0.00 H new ATOM 0 HB ILE A 36 7.833 21.110 4.571 1.00 0.00 H new ATOM 0 HG12 ILE A 36 7.667 19.504 1.973 1.00 0.00 H new ATOM 0 HG13 ILE A 36 6.346 20.477 2.590 1.00 0.00 H new ATOM 0 HG21 ILE A 36 10.010 20.605 3.491 1.00 0.00 H new ATOM 0 HG22 ILE A 36 9.810 19.658 4.984 1.00 0.00 H new ATOM 0 HG23 ILE A 36 9.569 18.883 3.400 1.00 0.00 H new ATOM 0 HD11 ILE A 36 7.683 21.759 0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.804 22.503 2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 36 9.145 21.515 1.927 1.00 0.00 H new ATOM 618 N ASN A 37 7.393 19.575 7.062 1.00 0.00 N ATOM 619 CA ASN A 37 7.988 19.341 8.417 1.00 0.00 C ATOM 620 C ASN A 37 7.238 18.250 9.177 1.00 0.00 C ATOM 621 O ASN A 37 7.801 17.560 10.003 1.00 0.00 O ATOM 622 CB ASN A 37 7.935 20.637 9.225 1.00 0.00 C ATOM 623 CG ASN A 37 8.508 20.396 10.622 1.00 0.00 C ATOM 624 OD1 ASN A 37 7.778 20.364 11.594 1.00 0.00 O ATOM 625 ND2 ASN A 37 9.794 20.229 10.766 1.00 0.00 N ATOM 0 H ASN A 37 6.734 20.351 6.996 1.00 0.00 H new ATOM 0 HA ASN A 37 9.020 19.017 8.280 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.503 21.417 8.718 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.906 20.989 9.299 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.187 20.072 11.694 1.00 0.00 H new ATOM 0 HD22 ASN A 37 10.406 20.256 9.951 1.00 0.00 H new ATOM 632 N ASN A 38 5.966 18.123 8.941 1.00 0.00 N ATOM 633 CA ASN A 38 5.149 17.106 9.693 1.00 0.00 C ATOM 634 C ASN A 38 4.902 15.822 8.888 1.00 0.00 C ATOM 635 O ASN A 38 4.897 14.743 9.445 1.00 0.00 O ATOM 636 CB ASN A 38 3.796 17.718 10.070 1.00 0.00 C ATOM 637 CG ASN A 38 3.141 16.868 11.162 1.00 0.00 C ATOM 638 OD1 ASN A 38 2.124 17.241 11.712 1.00 0.00 O ATOM 639 ND2 ASN A 38 3.686 15.730 11.499 1.00 0.00 N ATOM 0 H ASN A 38 5.445 18.676 8.260 1.00 0.00 H new ATOM 0 HA ASN A 38 5.721 16.834 10.580 1.00 0.00 H new ATOM 0 HB2 ASN A 38 3.932 18.741 10.422 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.149 17.766 9.194 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.258 15.154 12.224 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.540 15.417 11.037 1.00 0.00 H new ATOM 646 N GLU A 39 4.653 15.908 7.603 1.00 0.00 N ATOM 647 CA GLU A 39 4.363 14.654 6.831 1.00 0.00 C ATOM 648 C GLU A 39 5.658 14.059 6.275 1.00 0.00 C ATOM 649 O GLU A 39 5.726 12.880 5.989 1.00 0.00 O ATOM 650 CB GLU A 39 3.407 14.970 5.670 1.00 0.00 C ATOM 651 CG GLU A 39 2.775 13.674 5.157 1.00 0.00 C ATOM 652 CD GLU A 39 1.826 13.994 4.001 1.00 0.00 C ATOM 653 OE1 GLU A 39 0.764 14.534 4.264 1.00 0.00 O ATOM 654 OE2 GLU A 39 2.180 13.698 2.872 1.00 0.00 O ATOM 0 H GLU A 39 4.637 16.773 7.062 1.00 0.00 H new ATOM 0 HA GLU A 39 3.900 13.930 7.502 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.630 15.658 6.003 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.949 15.466 4.864 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.551 12.985 4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 39 2.232 13.178 5.961 1.00 0.00 H new ATOM 661 N LEU A 40 6.687 14.858 6.128 1.00 0.00 N ATOM 662 CA LEU A 40 7.992 14.341 5.592 1.00 0.00 C ATOM 663 C LEU A 40 9.055 14.439 6.691 1.00 0.00 C ATOM 664 O LEU A 40 10.146 14.928 6.473 1.00 0.00 O ATOM 665 CB LEU A 40 8.430 15.181 4.385 1.00 0.00 C ATOM 666 CG LEU A 40 7.279 15.312 3.377 1.00 0.00 C ATOM 667 CD1 LEU A 40 7.785 16.022 2.116 1.00 0.00 C ATOM 668 CD2 LEU A 40 6.760 13.922 2.996 1.00 0.00 C ATOM 0 H LEU A 40 6.682 15.852 6.357 1.00 0.00 H new ATOM 0 HA LEU A 40 7.872 13.304 5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.745 16.170 4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.291 14.717 3.905 1.00 0.00 H new ATOM 0 HG LEU A 40 6.472 15.889 3.829 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.969 16.116 1.399 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.152 17.014 2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.594 15.442 1.671 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.944 14.022 2.281 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.567 13.343 2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.400 13.411 3.889 1.00 0.00 H new ATOM 680 N SER A 41 8.734 13.992 7.876 1.00 0.00 N ATOM 681 CA SER A 41 9.709 14.069 9.004 1.00 0.00 C ATOM 682 C SER A 41 10.935 13.190 8.731 1.00 0.00 C ATOM 683 O SER A 41 12.052 13.572 9.021 1.00 0.00 O ATOM 684 CB SER A 41 9.030 13.586 10.286 1.00 0.00 C ATOM 685 OG SER A 41 9.916 13.761 11.383 1.00 0.00 O ATOM 0 H SER A 41 7.834 13.575 8.113 1.00 0.00 H new ATOM 0 HA SER A 41 10.036 15.104 9.109 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.109 14.144 10.455 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.754 12.536 10.191 1.00 0.00 H new ATOM 0 HG SER A 41 9.482 13.453 12.206 1.00 0.00 H new ATOM 691 N HIS A 42 10.740 12.008 8.197 1.00 0.00 N ATOM 692 CA HIS A 42 11.899 11.092 7.928 1.00 0.00 C ATOM 693 C HIS A 42 11.793 10.499 6.523 1.00 0.00 C ATOM 694 O HIS A 42 12.731 9.911 6.021 1.00 0.00 O ATOM 695 CB HIS A 42 11.869 9.950 8.945 1.00 0.00 C ATOM 696 CG HIS A 42 10.541 9.247 8.855 1.00 0.00 C ATOM 697 ND1 HIS A 42 9.380 9.786 9.393 1.00 0.00 N ATOM 698 CD2 HIS A 42 10.171 8.052 8.286 1.00 0.00 C ATOM 699 CE1 HIS A 42 8.377 8.926 9.138 1.00 0.00 C ATOM 700 NE2 HIS A 42 8.807 7.856 8.467 1.00 0.00 N ATOM 0 H HIS A 42 9.827 11.636 7.935 1.00 0.00 H new ATOM 0 HA HIS A 42 12.827 11.658 8.009 1.00 0.00 H new ATOM 0 HB2 HIS A 42 12.680 9.249 8.748 1.00 0.00 H new ATOM 0 HB3 HIS A 42 12.022 10.339 9.952 1.00 0.00 H new ATOM 0 HD2 HIS A 42 10.837 7.371 7.777 1.00 0.00 H new ATOM 0 HE1 HIS A 42 7.352 9.082 9.439 1.00 0.00 H new ATOM 0 HE2 HIS A 42 8.251 7.061 8.153 1.00 0.00 H new ATOM 709 N PHE A 43 10.664 10.629 5.887 1.00 0.00 N ATOM 710 CA PHE A 43 10.519 10.047 4.525 1.00 0.00 C ATOM 711 C PHE A 43 11.370 10.838 3.527 1.00 0.00 C ATOM 712 O PHE A 43 11.961 10.276 2.626 1.00 0.00 O ATOM 713 CB PHE A 43 9.041 10.074 4.106 1.00 0.00 C ATOM 714 CG PHE A 43 8.866 9.713 2.635 1.00 0.00 C ATOM 715 CD1 PHE A 43 9.711 8.781 1.997 1.00 0.00 C ATOM 716 CD2 PHE A 43 7.830 10.313 1.906 1.00 0.00 C ATOM 717 CE1 PHE A 43 9.512 8.463 0.649 1.00 0.00 C ATOM 718 CE2 PHE A 43 7.637 9.991 0.557 1.00 0.00 C ATOM 719 CZ PHE A 43 8.477 9.067 -0.071 1.00 0.00 C ATOM 0 H PHE A 43 9.840 11.110 6.248 1.00 0.00 H new ATOM 0 HA PHE A 43 10.864 9.013 4.535 1.00 0.00 H new ATOM 0 HB2 PHE A 43 8.475 9.375 4.722 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.629 11.066 4.289 1.00 0.00 H new ATOM 0 HD1 PHE A 43 10.512 8.313 2.549 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.178 11.027 2.387 1.00 0.00 H new ATOM 0 HE1 PHE A 43 10.160 7.749 0.163 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.837 10.458 0.001 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.327 8.820 -1.112 1.00 0.00 H new ATOM 729 N LEU A 44 11.433 12.142 3.677 1.00 0.00 N ATOM 730 CA LEU A 44 12.242 12.985 2.735 1.00 0.00 C ATOM 731 C LEU A 44 13.149 13.923 3.535 1.00 0.00 C ATOM 732 O LEU A 44 13.653 13.576 4.585 1.00 0.00 O ATOM 733 CB LEU A 44 11.292 13.823 1.858 1.00 0.00 C ATOM 734 CG LEU A 44 11.991 14.222 0.540 1.00 0.00 C ATOM 735 CD1 LEU A 44 11.796 13.120 -0.507 1.00 0.00 C ATOM 736 CD2 LEU A 44 11.390 15.533 0.010 1.00 0.00 C ATOM 0 H LEU A 44 10.957 12.661 4.415 1.00 0.00 H new ATOM 0 HA LEU A 44 12.853 12.339 2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.389 13.253 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.982 14.717 2.398 1.00 0.00 H new ATOM 0 HG LEU A 44 13.055 14.358 0.731 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.291 13.407 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.226 12.189 -0.139 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.731 12.979 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.886 15.811 -0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.324 15.397 -0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.533 16.323 0.747 1.00 0.00 H new ATOM 748 N GLU A 45 13.357 15.113 3.037 1.00 0.00 N ATOM 749 CA GLU A 45 14.229 16.089 3.749 1.00 0.00 C ATOM 750 C GLU A 45 13.366 16.973 4.652 1.00 0.00 C ATOM 751 O GLU A 45 12.652 17.840 4.188 1.00 0.00 O ATOM 752 CB GLU A 45 14.936 16.966 2.710 1.00 0.00 C ATOM 753 CG GLU A 45 15.843 17.984 3.408 1.00 0.00 C ATOM 754 CD GLU A 45 16.540 18.849 2.356 1.00 0.00 C ATOM 755 OE1 GLU A 45 16.449 18.514 1.187 1.00 0.00 O ATOM 756 OE2 GLU A 45 17.153 19.832 2.738 1.00 0.00 O ATOM 0 H GLU A 45 12.957 15.452 2.162 1.00 0.00 H new ATOM 0 HA GLU A 45 14.965 15.560 4.354 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.526 16.343 2.038 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.198 17.485 2.098 1.00 0.00 H new ATOM 0 HG2 GLU A 45 15.256 18.611 4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.583 17.469 4.020 1.00 0.00 H new ATOM 763 N GLU A 46 13.440 16.775 5.937 1.00 0.00 N ATOM 764 CA GLU A 46 12.639 17.620 6.866 1.00 0.00 C ATOM 765 C GLU A 46 13.180 19.050 6.805 1.00 0.00 C ATOM 766 O GLU A 46 14.375 19.262 6.866 1.00 0.00 O ATOM 767 CB GLU A 46 12.786 17.071 8.290 1.00 0.00 C ATOM 768 CG GLU A 46 11.954 17.909 9.264 1.00 0.00 C ATOM 769 CD GLU A 46 12.112 17.348 10.679 1.00 0.00 C ATOM 770 OE1 GLU A 46 12.675 16.273 10.808 1.00 0.00 O ATOM 771 OE2 GLU A 46 11.667 18.001 11.608 1.00 0.00 O ATOM 0 H GLU A 46 14.020 16.065 6.385 1.00 0.00 H new ATOM 0 HA GLU A 46 11.586 17.610 6.583 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.461 16.031 8.323 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.834 17.087 8.588 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.278 18.949 9.235 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.905 17.894 8.970 1.00 0.00 H new ATOM 778 N ILE A 47 12.327 20.042 6.695 1.00 0.00 N ATOM 779 CA ILE A 47 12.839 21.449 6.645 1.00 0.00 C ATOM 780 C ILE A 47 12.932 21.990 8.068 1.00 0.00 C ATOM 781 O ILE A 47 12.095 21.718 8.907 1.00 0.00 O ATOM 782 CB ILE A 47 11.927 22.326 5.779 1.00 0.00 C ATOM 783 CG1 ILE A 47 12.127 21.932 4.310 1.00 0.00 C ATOM 784 CG2 ILE A 47 12.302 23.802 5.969 1.00 0.00 C ATOM 785 CD1 ILE A 47 11.121 22.670 3.426 1.00 0.00 C ATOM 0 H ILE A 47 11.314 19.941 6.638 1.00 0.00 H new ATOM 0 HA ILE A 47 13.830 21.463 6.191 1.00 0.00 H new ATOM 0 HB ILE A 47 10.886 22.183 6.068 1.00 0.00 H new ATOM 0 HG12 ILE A 47 13.143 22.172 3.996 1.00 0.00 H new ATOM 0 HG13 ILE A 47 12.003 20.855 4.194 1.00 0.00 H new ATOM 0 HG21 ILE A 47 11.653 24.424 5.353 1.00 0.00 H new ATOM 0 HG22 ILE A 47 12.180 24.076 7.017 1.00 0.00 H new ATOM 0 HG23 ILE A 47 13.340 23.955 5.672 1.00 0.00 H new ATOM 0 HD11 ILE A 47 11.272 22.383 2.385 1.00 0.00 H new ATOM 0 HD12 ILE A 47 10.108 22.409 3.731 1.00 0.00 H new ATOM 0 HD13 ILE A 47 11.265 23.745 3.530 1.00 0.00 H new ATOM 797 N LYS A 48 13.978 22.721 8.350 1.00 0.00 N ATOM 798 CA LYS A 48 14.194 23.260 9.725 1.00 0.00 C ATOM 799 C LYS A 48 14.008 24.779 9.748 1.00 0.00 C ATOM 800 O LYS A 48 13.710 25.353 10.777 1.00 0.00 O ATOM 801 CB LYS A 48 15.629 22.911 10.148 1.00 0.00 C ATOM 802 CG LYS A 48 15.979 21.472 9.686 1.00 0.00 C ATOM 803 CD LYS A 48 16.712 21.496 8.333 1.00 0.00 C ATOM 804 CE LYS A 48 17.163 20.080 7.973 1.00 0.00 C ATOM 805 NZ LYS A 48 18.334 19.705 8.814 1.00 0.00 N ATOM 0 H LYS A 48 14.702 22.971 7.676 1.00 0.00 H new ATOM 0 HA LYS A 48 13.469 22.821 10.410 1.00 0.00 H new ATOM 0 HB2 LYS A 48 16.330 23.623 9.712 1.00 0.00 H new ATOM 0 HB3 LYS A 48 15.728 22.989 11.231 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.605 20.987 10.435 1.00 0.00 H new ATOM 0 HG3 LYS A 48 15.067 20.881 9.600 1.00 0.00 H new ATOM 0 HD2 LYS A 48 16.054 21.888 7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 48 17.574 22.161 8.386 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.347 19.375 8.132 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.428 20.028 6.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.757 18.828 8.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.040 20.468 8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.023 19.557 9.795 1.00 0.00 H new ATOM 819 N GLU A 49 14.190 25.434 8.629 1.00 0.00 N ATOM 820 CA GLU A 49 14.037 26.926 8.581 1.00 0.00 C ATOM 821 C GLU A 49 12.930 27.310 7.610 1.00 0.00 C ATOM 822 O GLU A 49 12.737 26.687 6.586 1.00 0.00 O ATOM 823 CB GLU A 49 15.338 27.569 8.101 1.00 0.00 C ATOM 824 CG GLU A 49 16.418 27.431 9.168 1.00 0.00 C ATOM 825 CD GLU A 49 16.056 28.280 10.389 1.00 0.00 C ATOM 826 OE1 GLU A 49 15.290 29.216 10.230 1.00 0.00 O ATOM 827 OE2 GLU A 49 16.554 27.981 11.462 1.00 0.00 O ATOM 0 H GLU A 49 14.439 25.000 7.740 1.00 0.00 H new ATOM 0 HA GLU A 49 13.791 27.276 9.584 1.00 0.00 H new ATOM 0 HB2 GLU A 49 15.667 27.095 7.176 1.00 0.00 H new ATOM 0 HB3 GLU A 49 15.170 28.622 7.877 1.00 0.00 H new ATOM 0 HG2 GLU A 49 16.522 26.386 9.459 1.00 0.00 H new ATOM 0 HG3 GLU A 49 17.381 27.748 8.767 1.00 0.00 H new ATOM 834 N GLN A 50 12.218 28.354 7.918 1.00 0.00 N ATOM 835 CA GLN A 50 11.140 28.809 7.009 1.00 0.00 C ATOM 836 C GLN A 50 11.788 29.360 5.740 1.00 0.00 C ATOM 837 O GLN A 50 11.166 29.443 4.704 1.00 0.00 O ATOM 838 CB GLN A 50 10.327 29.917 7.687 1.00 0.00 C ATOM 839 CG GLN A 50 9.623 29.361 8.928 1.00 0.00 C ATOM 840 CD GLN A 50 8.546 28.355 8.514 1.00 0.00 C ATOM 841 OE1 GLN A 50 8.254 27.429 9.245 1.00 0.00 O ATOM 842 NE2 GLN A 50 7.931 28.501 7.372 1.00 0.00 N ATOM 0 H GLN A 50 12.338 28.912 8.763 1.00 0.00 H new ATOM 0 HA GLN A 50 10.476 27.979 6.768 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.983 30.741 7.969 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.591 30.319 6.990 1.00 0.00 H new ATOM 0 HG2 GLN A 50 10.349 28.879 9.583 1.00 0.00 H new ATOM 0 HG3 GLN A 50 9.173 30.175 9.496 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.175 29.278 6.757 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.207 27.839 7.094 1.00 0.00 H new ATOM 851 N GLU A 51 13.040 29.745 5.818 1.00 0.00 N ATOM 852 CA GLU A 51 13.727 30.299 4.612 1.00 0.00 C ATOM 853 C GLU A 51 13.812 29.235 3.523 1.00 0.00 C ATOM 854 O GLU A 51 13.641 29.525 2.361 1.00 0.00 O ATOM 855 CB GLU A 51 15.137 30.784 4.990 1.00 0.00 C ATOM 856 CG GLU A 51 16.077 29.583 5.228 1.00 0.00 C ATOM 857 CD GLU A 51 16.783 29.187 3.923 1.00 0.00 C ATOM 858 OE1 GLU A 51 16.295 29.555 2.867 1.00 0.00 O ATOM 859 OE2 GLU A 51 17.798 28.515 4.004 1.00 0.00 O ATOM 0 H GLU A 51 13.612 29.699 6.661 1.00 0.00 H new ATOM 0 HA GLU A 51 13.152 31.144 4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 51 15.536 31.414 4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 51 15.088 31.398 5.889 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.817 29.838 5.986 1.00 0.00 H new ATOM 0 HG3 GLU A 51 15.506 28.737 5.611 1.00 0.00 H new ATOM 866 N VAL A 52 14.080 28.010 3.876 1.00 0.00 N ATOM 867 CA VAL A 52 14.171 26.956 2.837 1.00 0.00 C ATOM 868 C VAL A 52 12.838 26.887 2.133 1.00 0.00 C ATOM 869 O VAL A 52 12.764 26.735 0.939 1.00 0.00 O ATOM 870 CB VAL A 52 14.475 25.611 3.486 1.00 0.00 C ATOM 871 CG1 VAL A 52 14.448 24.507 2.428 1.00 0.00 C ATOM 872 CG2 VAL A 52 15.851 25.662 4.144 1.00 0.00 C ATOM 0 H VAL A 52 14.239 27.697 4.834 1.00 0.00 H new ATOM 0 HA VAL A 52 14.968 27.189 2.131 1.00 0.00 H new ATOM 0 HB VAL A 52 13.720 25.397 4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 52 14.666 23.548 2.897 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.461 24.469 1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 52 15.198 24.716 1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 52 16.068 24.700 4.608 1.00 0.00 H new ATOM 0 HG22 VAL A 52 16.607 25.880 3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 52 15.862 26.443 4.905 1.00 0.00 H new ATOM 882 N VAL A 53 11.785 27.003 2.874 1.00 0.00 N ATOM 883 CA VAL A 53 10.445 26.958 2.261 1.00 0.00 C ATOM 884 C VAL A 53 10.311 28.108 1.280 1.00 0.00 C ATOM 885 O VAL A 53 9.743 27.961 0.234 1.00 0.00 O ATOM 886 CB VAL A 53 9.393 27.107 3.348 1.00 0.00 C ATOM 887 CG1 VAL A 53 7.997 26.918 2.758 1.00 0.00 C ATOM 888 CG2 VAL A 53 9.640 26.068 4.425 1.00 0.00 C ATOM 0 H VAL A 53 11.796 27.128 3.886 1.00 0.00 H new ATOM 0 HA VAL A 53 10.307 26.009 1.742 1.00 0.00 H new ATOM 0 HB VAL A 53 9.458 28.106 3.779 1.00 0.00 H new ATOM 0 HG11 VAL A 53 7.251 27.027 3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.823 27.669 1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 53 7.919 25.923 2.319 1.00 0.00 H new ATOM 0 HG21 VAL A 53 8.888 26.170 5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 53 9.578 25.071 3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 53 10.632 26.216 4.853 1.00 0.00 H new ATOM 898 N ASP A 54 10.817 29.256 1.623 1.00 0.00 N ATOM 899 CA ASP A 54 10.707 30.428 0.709 1.00 0.00 C ATOM 900 C ASP A 54 11.425 30.133 -0.603 1.00 0.00 C ATOM 901 O ASP A 54 10.978 30.502 -1.666 1.00 0.00 O ATOM 902 CB ASP A 54 11.333 31.660 1.370 1.00 0.00 C ATOM 903 CG ASP A 54 11.214 32.866 0.433 1.00 0.00 C ATOM 904 OD1 ASP A 54 10.845 32.671 -0.714 1.00 0.00 O ATOM 905 OD2 ASP A 54 11.494 33.966 0.879 1.00 0.00 O ATOM 0 H ASP A 54 11.305 29.436 2.501 1.00 0.00 H new ATOM 0 HA ASP A 54 9.654 30.622 0.506 1.00 0.00 H new ATOM 0 HB2 ASP A 54 10.833 31.871 2.315 1.00 0.00 H new ATOM 0 HB3 ASP A 54 12.381 31.468 1.600 1.00 0.00 H new ATOM 910 N LYS A 55 12.544 29.486 -0.520 1.00 0.00 N ATOM 911 CA LYS A 55 13.331 29.162 -1.742 1.00 0.00 C ATOM 912 C LYS A 55 12.544 28.175 -2.585 1.00 0.00 C ATOM 913 O LYS A 55 12.491 28.261 -3.798 1.00 0.00 O ATOM 914 CB LYS A 55 14.659 28.522 -1.339 1.00 0.00 C ATOM 915 CG LYS A 55 15.548 28.375 -2.573 1.00 0.00 C ATOM 916 CD LYS A 55 16.874 27.729 -2.169 1.00 0.00 C ATOM 917 CE LYS A 55 17.789 27.640 -3.390 1.00 0.00 C ATOM 918 NZ LYS A 55 18.144 29.014 -3.844 1.00 0.00 N ATOM 0 H LYS A 55 12.957 29.161 0.354 1.00 0.00 H new ATOM 0 HA LYS A 55 13.522 30.074 -2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 55 15.158 29.136 -0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 55 14.482 27.546 -0.886 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.048 27.765 -3.325 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.728 29.351 -3.023 1.00 0.00 H new ATOM 0 HD2 LYS A 55 17.352 28.315 -1.384 1.00 0.00 H new ATOM 0 HD3 LYS A 55 16.697 26.734 -1.760 1.00 0.00 H new ATOM 0 HE2 LYS A 55 18.692 27.083 -3.141 1.00 0.00 H new ATOM 0 HE3 LYS A 55 17.290 27.097 -4.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 19.012 28.977 -4.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 17.368 29.402 -4.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 18.301 29.624 -3.016 1.00 0.00 H new ATOM 932 N VAL A 56 11.920 27.244 -1.936 1.00 0.00 N ATOM 933 CA VAL A 56 11.115 26.242 -2.664 1.00 0.00 C ATOM 934 C VAL A 56 9.925 26.966 -3.277 1.00 0.00 C ATOM 935 O VAL A 56 9.454 26.630 -4.343 1.00 0.00 O ATOM 936 CB VAL A 56 10.654 25.156 -1.678 1.00 0.00 C ATOM 937 CG1 VAL A 56 9.480 24.366 -2.264 1.00 0.00 C ATOM 938 CG2 VAL A 56 11.820 24.200 -1.403 1.00 0.00 C ATOM 0 H VAL A 56 11.934 27.134 -0.922 1.00 0.00 H new ATOM 0 HA VAL A 56 11.693 25.760 -3.452 1.00 0.00 H new ATOM 0 HB VAL A 56 10.331 25.631 -0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.166 23.601 -1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.648 25.043 -2.461 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.790 23.891 -3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.500 23.427 -0.704 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.138 23.736 -2.337 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.653 24.756 -0.972 1.00 0.00 H new ATOM 948 N MET A 57 9.447 27.971 -2.606 1.00 0.00 N ATOM 949 CA MET A 57 8.293 28.735 -3.139 1.00 0.00 C ATOM 950 C MET A 57 8.732 29.555 -4.341 1.00 0.00 C ATOM 951 O MET A 57 7.973 29.798 -5.235 1.00 0.00 O ATOM 952 CB MET A 57 7.700 29.627 -2.051 1.00 0.00 C ATOM 953 CG MET A 57 7.006 28.737 -1.014 1.00 0.00 C ATOM 954 SD MET A 57 5.494 28.030 -1.723 1.00 0.00 S ATOM 955 CE MET A 57 4.397 29.450 -1.476 1.00 0.00 C ATOM 0 H MET A 57 9.807 28.297 -1.709 1.00 0.00 H new ATOM 0 HA MET A 57 7.518 28.040 -3.460 1.00 0.00 H new ATOM 0 HB2 MET A 57 8.484 30.219 -1.578 1.00 0.00 H new ATOM 0 HB3 MET A 57 6.988 30.329 -2.484 1.00 0.00 H new ATOM 0 HG2 MET A 57 7.678 27.939 -0.698 1.00 0.00 H new ATOM 0 HG3 MET A 57 6.764 29.320 -0.125 1.00 0.00 H new ATOM 0 HE1 MET A 57 3.621 29.190 -0.756 1.00 0.00 H new ATOM 0 HE2 MET A 57 4.974 30.294 -1.099 1.00 0.00 H new ATOM 0 HE3 MET A 57 3.934 29.722 -2.425 1.00 0.00 H new ATOM 965 N GLU A 58 9.960 29.960 -4.408 1.00 0.00 N ATOM 966 CA GLU A 58 10.379 30.729 -5.604 1.00 0.00 C ATOM 967 C GLU A 58 10.113 29.828 -6.807 1.00 0.00 C ATOM 968 O GLU A 58 9.648 30.258 -7.844 1.00 0.00 O ATOM 969 CB GLU A 58 11.869 31.072 -5.507 1.00 0.00 C ATOM 970 CG GLU A 58 12.280 31.917 -6.714 1.00 0.00 C ATOM 971 CD GLU A 58 13.761 32.285 -6.598 1.00 0.00 C ATOM 972 OE1 GLU A 58 14.329 32.048 -5.545 1.00 0.00 O ATOM 973 OE2 GLU A 58 14.300 32.799 -7.564 1.00 0.00 O ATOM 0 H GLU A 58 10.680 29.798 -3.704 1.00 0.00 H new ATOM 0 HA GLU A 58 9.832 31.668 -5.691 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.068 31.617 -4.584 1.00 0.00 H new ATOM 0 HB3 GLU A 58 12.462 30.158 -5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.103 31.364 -7.636 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.672 32.821 -6.763 1.00 0.00 H new ATOM 980 N THR A 59 10.394 28.566 -6.648 1.00 0.00 N ATOM 981 CA THR A 59 10.156 27.582 -7.737 1.00 0.00 C ATOM 982 C THR A 59 8.654 27.266 -7.885 1.00 0.00 C ATOM 983 O THR A 59 8.137 27.185 -8.981 1.00 0.00 O ATOM 984 CB THR A 59 10.909 26.297 -7.383 1.00 0.00 C ATOM 985 OG1 THR A 59 12.295 26.585 -7.256 1.00 0.00 O ATOM 986 CG2 THR A 59 10.709 25.242 -8.470 1.00 0.00 C ATOM 0 H THR A 59 10.785 28.169 -5.794 1.00 0.00 H new ATOM 0 HA THR A 59 10.507 27.998 -8.681 1.00 0.00 H new ATOM 0 HB THR A 59 10.520 25.909 -6.441 1.00 0.00 H new ATOM 0 HG1 THR A 59 12.780 25.765 -7.028 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.251 24.336 -8.201 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.647 25.015 -8.565 1.00 0.00 H new ATOM 0 HG23 THR A 59 11.085 25.622 -9.420 1.00 0.00 H new ATOM 994 N LEU A 60 7.957 27.050 -6.793 1.00 0.00 N ATOM 995 CA LEU A 60 6.502 26.697 -6.877 1.00 0.00 C ATOM 996 C LEU A 60 5.634 27.950 -6.869 1.00 0.00 C ATOM 997 O LEU A 60 4.471 27.902 -7.212 1.00 0.00 O ATOM 998 CB LEU A 60 6.121 25.820 -5.685 1.00 0.00 C ATOM 999 CG LEU A 60 7.112 24.661 -5.547 1.00 0.00 C ATOM 1000 CD1 LEU A 60 6.706 23.802 -4.348 1.00 0.00 C ATOM 1001 CD2 LEU A 60 7.109 23.804 -6.819 1.00 0.00 C ATOM 0 H LEU A 60 8.333 27.103 -5.846 1.00 0.00 H new ATOM 0 HA LEU A 60 6.334 26.160 -7.811 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.116 26.416 -4.772 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.111 25.432 -5.817 1.00 0.00 H new ATOM 0 HG LEU A 60 8.116 25.060 -5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.406 22.973 -4.241 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.722 24.410 -3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.701 23.410 -4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.818 22.984 -6.707 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.110 23.400 -6.983 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.397 24.418 -7.672 1.00 0.00 H new ATOM 1013 N ASP A 61 6.174 29.073 -6.504 1.00 0.00 N ATOM 1014 CA ASP A 61 5.348 30.311 -6.517 1.00 0.00 C ATOM 1015 C ASP A 61 5.338 30.793 -7.954 1.00 0.00 C ATOM 1016 O ASP A 61 5.838 31.849 -8.289 1.00 0.00 O ATOM 1017 CB ASP A 61 5.947 31.379 -5.597 1.00 0.00 C ATOM 1018 CG ASP A 61 4.971 32.544 -5.465 1.00 0.00 C ATOM 1019 OD1 ASP A 61 3.956 32.523 -6.142 1.00 0.00 O ATOM 1020 OD2 ASP A 61 5.261 33.445 -4.696 1.00 0.00 O ATOM 0 H ASP A 61 7.140 29.191 -6.200 1.00 0.00 H new ATOM 0 HA ASP A 61 4.339 30.114 -6.153 1.00 0.00 H new ATOM 0 HB2 ASP A 61 6.156 30.953 -4.616 1.00 0.00 H new ATOM 0 HB3 ASP A 61 6.897 31.730 -6.001 1.00 0.00 H new ATOM 1025 N GLU A 62 4.794 29.982 -8.805 1.00 0.00 N ATOM 1026 CA GLU A 62 4.753 30.305 -10.249 1.00 0.00 C ATOM 1027 C GLU A 62 3.982 31.608 -10.462 1.00 0.00 C ATOM 1028 O GLU A 62 4.358 32.434 -11.270 1.00 0.00 O ATOM 1029 CB GLU A 62 4.062 29.154 -10.977 1.00 0.00 C ATOM 1030 CG GLU A 62 4.742 27.835 -10.586 1.00 0.00 C ATOM 1031 CD GLU A 62 4.141 26.684 -11.396 1.00 0.00 C ATOM 1032 OE1 GLU A 62 3.140 26.908 -12.055 1.00 0.00 O ATOM 1033 OE2 GLU A 62 4.694 25.597 -11.344 1.00 0.00 O ATOM 0 H GLU A 62 4.367 29.090 -8.556 1.00 0.00 H new ATOM 0 HA GLU A 62 5.762 30.435 -10.640 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.004 29.124 -10.715 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.120 29.302 -12.055 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.815 27.900 -10.769 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.611 27.649 -9.520 1.00 0.00 H new ATOM 1040 N ASP A 63 2.916 31.808 -9.740 1.00 0.00 N ATOM 1041 CA ASP A 63 2.139 33.071 -9.902 1.00 0.00 C ATOM 1042 C ASP A 63 2.822 34.190 -9.108 1.00 0.00 C ATOM 1043 O ASP A 63 2.464 35.347 -9.213 1.00 0.00 O ATOM 1044 CB ASP A 63 0.708 32.862 -9.400 1.00 0.00 C ATOM 1045 CG ASP A 63 0.727 32.462 -7.925 1.00 0.00 C ATOM 1046 OD1 ASP A 63 1.805 32.212 -7.411 1.00 0.00 O ATOM 1047 OD2 ASP A 63 -0.339 32.413 -7.335 1.00 0.00 O ATOM 0 H ASP A 63 2.549 31.156 -9.047 1.00 0.00 H new ATOM 0 HA ASP A 63 2.104 33.350 -10.955 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.130 33.777 -9.530 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.216 32.088 -9.989 1.00 0.00 H new ATOM 1052 N GLY A 64 3.825 33.859 -8.334 1.00 0.00 N ATOM 1053 CA GLY A 64 4.552 34.913 -7.558 1.00 0.00 C ATOM 1054 C GLY A 64 3.641 35.529 -6.488 1.00 0.00 C ATOM 1055 O GLY A 64 3.707 36.715 -6.231 1.00 0.00 O ATOM 0 H GLY A 64 4.172 32.908 -8.205 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.434 34.480 -7.086 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.903 35.692 -8.235 1.00 0.00 H new ATOM 1059 N ASP A 65 2.791 34.747 -5.863 1.00 0.00 N ATOM 1060 CA ASP A 65 1.875 35.305 -4.811 1.00 0.00 C ATOM 1061 C ASP A 65 2.328 34.853 -3.420 1.00 0.00 C ATOM 1062 O ASP A 65 1.694 35.149 -2.427 1.00 0.00 O ATOM 1063 CB ASP A 65 0.455 34.802 -5.070 1.00 0.00 C ATOM 1064 CG ASP A 65 0.447 33.279 -5.010 1.00 0.00 C ATOM 1065 OD1 ASP A 65 1.520 32.705 -5.068 1.00 0.00 O ATOM 1066 OD2 ASP A 65 -0.630 32.713 -4.919 1.00 0.00 O ATOM 0 H ASP A 65 2.691 33.747 -6.035 1.00 0.00 H new ATOM 0 HA ASP A 65 1.901 36.394 -4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.230 35.211 -4.328 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.108 35.142 -6.046 1.00 0.00 H new ATOM 1071 N GLY A 66 3.409 34.129 -3.337 1.00 0.00 N ATOM 1072 CA GLY A 66 3.886 33.651 -2.005 1.00 0.00 C ATOM 1073 C GLY A 66 3.081 32.412 -1.613 1.00 0.00 C ATOM 1074 O GLY A 66 3.259 31.840 -0.555 1.00 0.00 O ATOM 0 H GLY A 66 3.983 33.847 -4.131 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.949 33.413 -2.047 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.764 34.434 -1.256 1.00 0.00 H new ATOM 1078 N GLU A 67 2.197 31.999 -2.477 1.00 0.00 N ATOM 1079 CA GLU A 67 1.353 30.799 -2.221 1.00 0.00 C ATOM 1080 C GLU A 67 1.357 29.944 -3.494 1.00 0.00 C ATOM 1081 O GLU A 67 1.228 30.454 -4.586 1.00 0.00 O ATOM 1082 CB GLU A 67 -0.078 31.256 -1.920 1.00 0.00 C ATOM 1083 CG GLU A 67 -0.060 32.313 -0.811 1.00 0.00 C ATOM 1084 CD GLU A 67 -1.490 32.767 -0.511 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -2.376 32.408 -1.269 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -1.675 33.466 0.472 1.00 0.00 O ATOM 0 H GLU A 67 2.020 32.455 -3.372 1.00 0.00 H new ATOM 0 HA GLU A 67 1.735 30.226 -1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.536 31.667 -2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.685 30.404 -1.614 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.398 31.903 0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.546 33.166 -1.117 1.00 0.00 H new ATOM 1093 N CYS A 68 1.498 28.652 -3.371 1.00 0.00 N ATOM 1094 CA CYS A 68 1.509 27.774 -4.587 1.00 0.00 C ATOM 1095 C CYS A 68 0.125 27.141 -4.746 1.00 0.00 C ATOM 1096 O CYS A 68 -0.393 26.516 -3.847 1.00 0.00 O ATOM 1097 CB CYS A 68 2.594 26.695 -4.424 1.00 0.00 C ATOM 1098 SG CYS A 68 2.751 26.256 -2.677 1.00 0.00 S ATOM 0 H CYS A 68 1.606 28.162 -2.483 1.00 0.00 H new ATOM 0 HA CYS A 68 1.736 28.356 -5.480 1.00 0.00 H new ATOM 0 HB2 CYS A 68 2.335 25.813 -5.010 1.00 0.00 H new ATOM 0 HB3 CYS A 68 3.547 27.062 -4.805 1.00 0.00 H new ATOM 0 HG CYS A 68 3.668 26.993 -2.125 1.00 0.00 H new ATOM 1104 N ASP A 69 -0.484 27.315 -5.885 1.00 0.00 N ATOM 1105 CA ASP A 69 -1.841 26.746 -6.104 1.00 0.00 C ATOM 1106 C ASP A 69 -1.765 25.223 -6.026 1.00 0.00 C ATOM 1107 O ASP A 69 -0.708 24.639 -6.163 1.00 0.00 O ATOM 1108 CB ASP A 69 -2.345 27.170 -7.486 1.00 0.00 C ATOM 1109 CG ASP A 69 -3.839 26.857 -7.615 1.00 0.00 C ATOM 1110 OD1 ASP A 69 -4.366 26.197 -6.736 1.00 0.00 O ATOM 1111 OD2 ASP A 69 -4.431 27.293 -8.588 1.00 0.00 O ATOM 0 H ASP A 69 -0.098 27.829 -6.677 1.00 0.00 H new ATOM 0 HA ASP A 69 -2.527 27.112 -5.340 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.174 28.236 -7.634 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.787 26.647 -8.262 1.00 0.00 H new ATOM 1116 N PHE A 70 -2.875 24.569 -5.804 1.00 0.00 N ATOM 1117 CA PHE A 70 -2.864 23.093 -5.716 1.00 0.00 C ATOM 1118 C PHE A 70 -2.082 22.535 -6.904 1.00 0.00 C ATOM 1119 O PHE A 70 -1.353 21.585 -6.769 1.00 0.00 O ATOM 1120 CB PHE A 70 -4.316 22.585 -5.730 1.00 0.00 C ATOM 1121 CG PHE A 70 -4.376 21.110 -6.081 1.00 0.00 C ATOM 1122 CD1 PHE A 70 -3.471 20.208 -5.509 1.00 0.00 C ATOM 1123 CD2 PHE A 70 -5.343 20.647 -6.983 1.00 0.00 C ATOM 1124 CE1 PHE A 70 -3.533 18.852 -5.836 1.00 0.00 C ATOM 1125 CE2 PHE A 70 -5.404 19.290 -7.308 1.00 0.00 C ATOM 1126 CZ PHE A 70 -4.499 18.391 -6.735 1.00 0.00 C ATOM 0 H PHE A 70 -3.790 25.003 -5.680 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.385 22.763 -4.794 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -4.771 22.748 -4.753 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.898 23.158 -6.452 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -2.724 20.561 -4.814 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.042 21.340 -7.427 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.833 18.158 -5.394 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.151 18.935 -8.003 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.546 17.342 -6.987 1.00 0.00 H new ATOM 1136 N GLN A 71 -2.231 23.127 -8.058 1.00 0.00 N ATOM 1137 CA GLN A 71 -1.490 22.638 -9.258 1.00 0.00 C ATOM 1138 C GLN A 71 0.007 22.942 -9.117 1.00 0.00 C ATOM 1139 O GLN A 71 0.847 22.149 -9.490 1.00 0.00 O ATOM 1140 CB GLN A 71 -2.041 23.311 -10.523 1.00 0.00 C ATOM 1141 CG GLN A 71 -2.150 24.822 -10.308 1.00 0.00 C ATOM 1142 CD GLN A 71 -2.591 25.498 -11.608 1.00 0.00 C ATOM 1143 OE1 GLN A 71 -3.204 24.877 -12.454 1.00 0.00 O ATOM 1144 NE2 GLN A 71 -2.304 26.756 -11.802 1.00 0.00 N ATOM 0 H GLN A 71 -2.836 23.931 -8.223 1.00 0.00 H new ATOM 0 HA GLN A 71 -1.625 21.559 -9.338 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.387 23.102 -11.370 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.020 22.899 -10.767 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.867 25.035 -9.515 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.189 25.223 -9.986 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.790 27.277 -11.092 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -2.594 27.218 -12.664 1.00 0.00 H new ATOM 1153 N GLU A 72 0.355 24.086 -8.598 1.00 0.00 N ATOM 1154 CA GLU A 72 1.798 24.425 -8.456 1.00 0.00 C ATOM 1155 C GLU A 72 2.468 23.427 -7.505 1.00 0.00 C ATOM 1156 O GLU A 72 3.527 22.892 -7.786 1.00 0.00 O ATOM 1157 CB GLU A 72 1.917 25.842 -7.889 1.00 0.00 C ATOM 1158 CG GLU A 72 1.468 26.861 -8.937 1.00 0.00 C ATOM 1159 CD GLU A 72 1.580 28.273 -8.356 1.00 0.00 C ATOM 1160 OE1 GLU A 72 2.664 28.827 -8.400 1.00 0.00 O ATOM 1161 OE2 GLU A 72 0.577 28.775 -7.877 1.00 0.00 O ATOM 0 H GLU A 72 -0.295 24.799 -8.267 1.00 0.00 H new ATOM 0 HA GLU A 72 2.291 24.374 -9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.305 25.937 -6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.948 26.040 -7.595 1.00 0.00 H new ATOM 0 HG2 GLU A 72 2.085 26.774 -9.832 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.440 26.660 -9.238 1.00 0.00 H new ATOM 1168 N PHE A 73 1.849 23.153 -6.392 1.00 0.00 N ATOM 1169 CA PHE A 73 2.438 22.174 -5.438 1.00 0.00 C ATOM 1170 C PHE A 73 2.333 20.781 -6.048 1.00 0.00 C ATOM 1171 O PHE A 73 3.098 19.889 -5.741 1.00 0.00 O ATOM 1172 CB PHE A 73 1.688 22.218 -4.103 1.00 0.00 C ATOM 1173 CG PHE A 73 2.163 21.083 -3.226 1.00 0.00 C ATOM 1174 CD1 PHE A 73 3.255 21.267 -2.372 1.00 0.00 C ATOM 1175 CD2 PHE A 73 1.508 19.846 -3.268 1.00 0.00 C ATOM 1176 CE1 PHE A 73 3.694 20.213 -1.560 1.00 0.00 C ATOM 1177 CE2 PHE A 73 1.947 18.794 -2.456 1.00 0.00 C ATOM 1178 CZ PHE A 73 3.040 18.977 -1.603 1.00 0.00 C ATOM 0 H PHE A 73 0.962 23.564 -6.102 1.00 0.00 H new ATOM 0 HA PHE A 73 3.483 22.423 -5.252 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.861 23.173 -3.607 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.614 22.137 -4.273 1.00 0.00 H new ATOM 0 HD1 PHE A 73 3.760 22.221 -2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.664 19.704 -3.927 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.538 20.355 -0.901 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.441 17.840 -2.488 1.00 0.00 H new ATOM 0 HZ PHE A 73 3.379 18.164 -0.978 1.00 0.00 H new ATOM 1188 N MET A 74 1.380 20.598 -6.910 1.00 0.00 N ATOM 1189 CA MET A 74 1.196 19.276 -7.553 1.00 0.00 C ATOM 1190 C MET A 74 2.468 18.928 -8.314 1.00 0.00 C ATOM 1191 O MET A 74 2.903 17.793 -8.348 1.00 0.00 O ATOM 1192 CB MET A 74 0.024 19.338 -8.531 1.00 0.00 C ATOM 1193 CG MET A 74 -0.363 17.932 -8.950 1.00 0.00 C ATOM 1194 SD MET A 74 -1.234 17.127 -7.589 1.00 0.00 S ATOM 1195 CE MET A 74 -0.723 15.434 -7.957 1.00 0.00 C ATOM 0 H MET A 74 0.715 21.315 -7.199 1.00 0.00 H new ATOM 0 HA MET A 74 0.989 18.520 -6.795 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.826 19.837 -8.065 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.298 19.927 -9.406 1.00 0.00 H new ATOM 0 HG2 MET A 74 -0.998 17.965 -9.835 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.526 17.361 -9.217 1.00 0.00 H new ATOM 0 HE1 MET A 74 -1.514 14.743 -7.663 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.533 15.335 -9.026 1.00 0.00 H new ATOM 0 HE3 MET A 74 0.187 15.200 -7.404 1.00 0.00 H new ATOM 1205 N ALA A 75 3.062 19.897 -8.945 1.00 0.00 N ATOM 1206 CA ALA A 75 4.296 19.609 -9.713 1.00 0.00 C ATOM 1207 C ALA A 75 5.450 19.291 -8.754 1.00 0.00 C ATOM 1208 O ALA A 75 6.341 18.531 -9.073 1.00 0.00 O ATOM 1209 CB ALA A 75 4.644 20.816 -10.595 1.00 0.00 C ATOM 0 H ALA A 75 2.749 20.868 -8.962 1.00 0.00 H new ATOM 0 HA ALA A 75 4.132 18.741 -10.352 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.552 20.604 -11.160 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.824 21.010 -11.286 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.804 21.692 -9.966 1.00 0.00 H new ATOM 1215 N PHE A 76 5.446 19.863 -7.587 1.00 0.00 N ATOM 1216 CA PHE A 76 6.546 19.581 -6.616 1.00 0.00 C ATOM 1217 C PHE A 76 6.578 18.089 -6.293 1.00 0.00 C ATOM 1218 O PHE A 76 7.620 17.491 -6.162 1.00 0.00 O ATOM 1219 CB PHE A 76 6.289 20.373 -5.332 1.00 0.00 C ATOM 1220 CG PHE A 76 7.392 20.124 -4.328 1.00 0.00 C ATOM 1221 CD1 PHE A 76 8.647 20.716 -4.511 1.00 0.00 C ATOM 1222 CD2 PHE A 76 7.158 19.314 -3.209 1.00 0.00 C ATOM 1223 CE1 PHE A 76 9.666 20.500 -3.578 1.00 0.00 C ATOM 1224 CE2 PHE A 76 8.177 19.100 -2.274 1.00 0.00 C ATOM 1225 CZ PHE A 76 9.431 19.693 -2.458 1.00 0.00 C ATOM 0 H PHE A 76 4.732 20.513 -7.259 1.00 0.00 H new ATOM 0 HA PHE A 76 7.502 19.874 -7.050 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.230 21.437 -5.560 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.328 20.084 -4.905 1.00 0.00 H new ATOM 0 HD1 PHE A 76 8.829 21.340 -5.373 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.191 18.855 -3.068 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.635 20.956 -3.721 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.996 18.477 -1.410 1.00 0.00 H new ATOM 0 HZ PHE A 76 10.217 19.528 -1.736 1.00 0.00 H new ATOM 1235 N VAL A 77 5.435 17.503 -6.149 1.00 0.00 N ATOM 1236 CA VAL A 77 5.350 16.050 -5.815 1.00 0.00 C ATOM 1237 C VAL A 77 5.938 15.227 -6.952 1.00 0.00 C ATOM 1238 O VAL A 77 6.552 14.206 -6.738 1.00 0.00 O ATOM 1239 CB VAL A 77 3.870 15.651 -5.596 1.00 0.00 C ATOM 1240 CG1 VAL A 77 3.757 14.594 -4.491 1.00 0.00 C ATOM 1241 CG2 VAL A 77 3.063 16.887 -5.201 1.00 0.00 C ATOM 0 H VAL A 77 4.534 17.970 -6.249 1.00 0.00 H new ATOM 0 HA VAL A 77 5.914 15.858 -4.902 1.00 0.00 H new ATOM 0 HB VAL A 77 3.478 15.233 -6.523 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.710 14.325 -4.350 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.324 13.708 -4.776 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.156 14.997 -3.560 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.021 16.607 -5.047 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.467 17.306 -4.279 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.125 17.631 -5.995 1.00 0.00 H new ATOM 1251 N SER A 78 5.723 15.646 -8.159 1.00 0.00 N ATOM 1252 CA SER A 78 6.245 14.864 -9.304 1.00 0.00 C ATOM 1253 C SER A 78 7.776 14.883 -9.307 1.00 0.00 C ATOM 1254 O SER A 78 8.406 13.878 -9.548 1.00 0.00 O ATOM 1255 CB SER A 78 5.699 15.454 -10.616 1.00 0.00 C ATOM 1256 OG SER A 78 5.475 16.843 -10.444 1.00 0.00 O ATOM 0 H SER A 78 5.210 16.493 -8.403 1.00 0.00 H new ATOM 0 HA SER A 78 5.917 13.829 -9.212 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.407 15.285 -11.427 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.771 14.955 -10.895 1.00 0.00 H new ATOM 0 HG SER A 78 6.195 17.226 -9.900 1.00 0.00 H new ATOM 1262 N MET A 79 8.393 16.003 -9.055 1.00 0.00 N ATOM 1263 CA MET A 79 9.887 16.006 -9.090 1.00 0.00 C ATOM 1264 C MET A 79 10.472 15.225 -7.919 1.00 0.00 C ATOM 1265 O MET A 79 11.453 14.522 -8.061 1.00 0.00 O ATOM 1266 CB MET A 79 10.433 17.422 -9.009 1.00 0.00 C ATOM 1267 CG MET A 79 9.946 18.271 -10.182 1.00 0.00 C ATOM 1268 SD MET A 79 11.099 19.650 -10.419 1.00 0.00 S ATOM 1269 CE MET A 79 11.258 20.148 -8.680 1.00 0.00 C ATOM 0 H MET A 79 7.947 16.893 -8.832 1.00 0.00 H new ATOM 0 HA MET A 79 10.173 15.540 -10.033 1.00 0.00 H new ATOM 0 HB2 MET A 79 10.122 17.881 -8.071 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.523 17.395 -9.004 1.00 0.00 H new ATOM 0 HG2 MET A 79 9.888 17.667 -11.087 1.00 0.00 H new ATOM 0 HG3 MET A 79 8.942 18.647 -9.985 1.00 0.00 H new ATOM 0 HE1 MET A 79 11.710 21.138 -8.625 1.00 0.00 H new ATOM 0 HE2 MET A 79 10.272 20.173 -8.217 1.00 0.00 H new ATOM 0 HE3 MET A 79 11.888 19.432 -8.153 1.00 0.00 H new ATOM 1279 N VAL A 80 9.904 15.358 -6.761 1.00 0.00 N ATOM 1280 CA VAL A 80 10.462 14.638 -5.587 1.00 0.00 C ATOM 1281 C VAL A 80 10.326 13.135 -5.809 1.00 0.00 C ATOM 1282 O VAL A 80 11.181 12.358 -5.433 1.00 0.00 O ATOM 1283 CB VAL A 80 9.729 15.048 -4.313 1.00 0.00 C ATOM 1284 CG1 VAL A 80 10.409 14.374 -3.124 1.00 0.00 C ATOM 1285 CG2 VAL A 80 9.794 16.573 -4.141 1.00 0.00 C ATOM 0 H VAL A 80 9.081 15.931 -6.574 1.00 0.00 H new ATOM 0 HA VAL A 80 11.515 14.897 -5.475 1.00 0.00 H new ATOM 0 HB VAL A 80 8.684 14.743 -4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.897 14.657 -2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.366 13.292 -3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 80 11.450 14.692 -3.072 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.269 16.859 -3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.835 16.887 -4.074 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.324 17.056 -4.998 1.00 0.00 H new ATOM 1295 N THR A 81 9.259 12.724 -6.426 1.00 0.00 N ATOM 1296 CA THR A 81 9.059 11.275 -6.687 1.00 0.00 C ATOM 1297 C THR A 81 10.216 10.785 -7.543 1.00 0.00 C ATOM 1298 O THR A 81 10.738 9.706 -7.359 1.00 0.00 O ATOM 1299 CB THR A 81 7.756 11.062 -7.454 1.00 0.00 C ATOM 1300 OG1 THR A 81 6.666 11.553 -6.691 1.00 0.00 O ATOM 1301 CG2 THR A 81 7.563 9.567 -7.728 1.00 0.00 C ATOM 0 H THR A 81 8.512 13.332 -6.763 1.00 0.00 H new ATOM 0 HA THR A 81 9.014 10.731 -5.744 1.00 0.00 H new ATOM 0 HB THR A 81 7.801 11.601 -8.401 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.538 12.506 -6.880 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.633 9.415 -8.276 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.398 9.195 -8.321 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.520 9.026 -6.782 1.00 0.00 H new ATOM 1309 N THR A 82 10.614 11.582 -8.485 1.00 0.00 N ATOM 1310 CA THR A 82 11.733 11.192 -9.370 1.00 0.00 C ATOM 1311 C THR A 82 12.944 10.857 -8.490 1.00 0.00 C ATOM 1312 O THR A 82 13.705 9.954 -8.777 1.00 0.00 O ATOM 1313 CB THR A 82 12.043 12.373 -10.307 1.00 0.00 C ATOM 1314 OG1 THR A 82 10.841 13.086 -10.561 1.00 0.00 O ATOM 1315 CG2 THR A 82 12.603 11.862 -11.634 1.00 0.00 C ATOM 0 H THR A 82 10.207 12.497 -8.681 1.00 0.00 H new ATOM 0 HA THR A 82 11.482 10.320 -9.974 1.00 0.00 H new ATOM 0 HB THR A 82 12.780 13.022 -9.833 1.00 0.00 H new ATOM 0 HG1 THR A 82 11.028 13.842 -11.156 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.818 12.707 -12.288 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.520 11.303 -11.450 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.871 11.211 -12.112 1.00 0.00 H new ATOM 1323 N ALA A 83 13.111 11.568 -7.407 1.00 0.00 N ATOM 1324 CA ALA A 83 14.251 11.286 -6.489 1.00 0.00 C ATOM 1325 C ALA A 83 14.136 9.846 -5.975 1.00 0.00 C ATOM 1326 O ALA A 83 15.117 9.140 -5.850 1.00 0.00 O ATOM 1327 CB ALA A 83 14.210 12.261 -5.306 1.00 0.00 C ATOM 0 H ALA A 83 12.504 12.335 -7.118 1.00 0.00 H new ATOM 0 HA ALA A 83 15.193 11.410 -7.023 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.044 12.054 -4.635 1.00 0.00 H new ATOM 0 HB2 ALA A 83 14.286 13.284 -5.675 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.271 12.139 -4.766 1.00 0.00 H new ATOM 1333 N CYS A 84 12.942 9.409 -5.671 1.00 0.00 N ATOM 1334 CA CYS A 84 12.757 8.019 -5.162 1.00 0.00 C ATOM 1335 C CYS A 84 13.255 7.017 -6.207 1.00 0.00 C ATOM 1336 O CYS A 84 13.816 5.993 -5.871 1.00 0.00 O ATOM 1337 CB CYS A 84 11.274 7.761 -4.877 1.00 0.00 C ATOM 1338 SG CYS A 84 10.761 8.732 -3.438 1.00 0.00 S ATOM 0 H CYS A 84 12.085 9.957 -5.754 1.00 0.00 H new ATOM 0 HA CYS A 84 13.327 7.899 -4.241 1.00 0.00 H new ATOM 0 HB2 CYS A 84 10.673 8.032 -5.745 1.00 0.00 H new ATOM 0 HB3 CYS A 84 11.107 6.700 -4.692 1.00 0.00 H new ATOM 0 HG CYS A 84 9.502 8.516 -3.195 1.00 0.00 H new ATOM 1344 N HIS A 85 13.065 7.295 -7.472 1.00 0.00 N ATOM 1345 CA HIS A 85 13.544 6.337 -8.508 1.00 0.00 C ATOM 1346 C HIS A 85 15.053 6.173 -8.372 1.00 0.00 C ATOM 1347 O HIS A 85 15.580 5.085 -8.487 1.00 0.00 O ATOM 1348 CB HIS A 85 13.221 6.884 -9.902 1.00 0.00 C ATOM 1349 CG HIS A 85 13.729 5.928 -10.948 1.00 0.00 C ATOM 1350 ND1 HIS A 85 14.832 6.220 -11.742 1.00 0.00 N ATOM 1351 CD2 HIS A 85 13.303 4.685 -11.343 1.00 0.00 C ATOM 1352 CE1 HIS A 85 15.027 5.174 -12.566 1.00 0.00 C ATOM 1353 NE2 HIS A 85 14.123 4.215 -12.362 1.00 0.00 N ATOM 0 H HIS A 85 12.605 8.133 -7.827 1.00 0.00 H new ATOM 0 HA HIS A 85 13.050 5.375 -8.373 1.00 0.00 H new ATOM 0 HB2 HIS A 85 12.145 7.020 -10.010 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.681 7.863 -10.035 1.00 0.00 H new ATOM 0 HD2 HIS A 85 12.460 4.154 -10.926 1.00 0.00 H new ATOM 0 HE1 HIS A 85 15.817 5.118 -13.301 1.00 0.00 H new ATOM 0 HE2 HIS A 85 14.049 3.323 -12.851 1.00 0.00 H new ATOM 1362 N GLU A 86 15.753 7.239 -8.114 1.00 0.00 N ATOM 1363 CA GLU A 86 17.225 7.127 -7.958 1.00 0.00 C ATOM 1364 C GLU A 86 17.536 6.240 -6.752 1.00 0.00 C ATOM 1365 O GLU A 86 18.444 5.434 -6.779 1.00 0.00 O ATOM 1366 CB GLU A 86 17.821 8.520 -7.737 1.00 0.00 C ATOM 1367 CG GLU A 86 19.344 8.419 -7.615 1.00 0.00 C ATOM 1368 CD GLU A 86 19.935 9.818 -7.431 1.00 0.00 C ATOM 1369 OE1 GLU A 86 19.170 10.768 -7.442 1.00 0.00 O ATOM 1370 OE2 GLU A 86 21.142 9.915 -7.285 1.00 0.00 O ATOM 0 H GLU A 86 15.371 8.179 -8.005 1.00 0.00 H new ATOM 0 HA GLU A 86 17.658 6.687 -8.857 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.556 9.175 -8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 86 17.403 8.965 -6.834 1.00 0.00 H new ATOM 0 HG2 GLU A 86 19.610 7.786 -6.769 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.761 7.951 -8.507 1.00 0.00 H new ATOM 1377 N PHE A 87 16.789 6.385 -5.691 1.00 0.00 N ATOM 1378 CA PHE A 87 17.049 5.548 -4.484 1.00 0.00 C ATOM 1379 C PHE A 87 16.496 4.140 -4.695 1.00 0.00 C ATOM 1380 O PHE A 87 17.155 3.156 -4.421 1.00 0.00 O ATOM 1381 CB PHE A 87 16.387 6.187 -3.261 1.00 0.00 C ATOM 1382 CG PHE A 87 17.147 7.437 -2.875 1.00 0.00 C ATOM 1383 CD1 PHE A 87 18.428 7.330 -2.317 1.00 0.00 C ATOM 1384 CD2 PHE A 87 16.576 8.700 -3.076 1.00 0.00 C ATOM 1385 CE1 PHE A 87 19.136 8.485 -1.959 1.00 0.00 C ATOM 1386 CE2 PHE A 87 17.285 9.854 -2.718 1.00 0.00 C ATOM 1387 CZ PHE A 87 18.564 9.747 -2.160 1.00 0.00 C ATOM 0 H PHE A 87 16.014 7.043 -5.607 1.00 0.00 H new ATOM 0 HA PHE A 87 18.125 5.485 -4.319 1.00 0.00 H new ATOM 0 HB2 PHE A 87 15.349 6.433 -3.483 1.00 0.00 H new ATOM 0 HB3 PHE A 87 16.377 5.483 -2.429 1.00 0.00 H new ATOM 0 HD1 PHE A 87 18.870 6.357 -2.163 1.00 0.00 H new ATOM 0 HD2 PHE A 87 15.589 8.784 -3.507 1.00 0.00 H new ATOM 0 HE1 PHE A 87 20.123 8.402 -1.528 1.00 0.00 H new ATOM 0 HE2 PHE A 87 16.844 10.828 -2.873 1.00 0.00 H new ATOM 0 HZ PHE A 87 19.110 10.637 -1.885 1.00 0.00 H new ATOM 1397 N PHE A 88 15.294 4.035 -5.192 1.00 0.00 N ATOM 1398 CA PHE A 88 14.694 2.693 -5.439 1.00 0.00 C ATOM 1399 C PHE A 88 14.929 2.329 -6.899 1.00 0.00 C ATOM 1400 O PHE A 88 14.006 2.220 -7.682 1.00 0.00 O ATOM 1401 CB PHE A 88 13.189 2.735 -5.139 1.00 0.00 C ATOM 1402 CG PHE A 88 12.911 3.584 -3.911 1.00 0.00 C ATOM 1403 CD1 PHE A 88 13.858 3.705 -2.875 1.00 0.00 C ATOM 1404 CD2 PHE A 88 11.685 4.254 -3.809 1.00 0.00 C ATOM 1405 CE1 PHE A 88 13.570 4.493 -1.753 1.00 0.00 C ATOM 1406 CE2 PHE A 88 11.401 5.040 -2.686 1.00 0.00 C ATOM 1407 CZ PHE A 88 12.343 5.159 -1.659 1.00 0.00 C ATOM 0 H PHE A 88 14.699 4.825 -5.439 1.00 0.00 H new ATOM 0 HA PHE A 88 15.153 1.946 -4.791 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.653 3.141 -5.997 1.00 0.00 H new ATOM 0 HB3 PHE A 88 12.816 1.723 -4.980 1.00 0.00 H new ATOM 0 HD1 PHE A 88 14.805 3.191 -2.946 1.00 0.00 H new ATOM 0 HD2 PHE A 88 10.956 4.164 -4.600 1.00 0.00 H new ATOM 0 HE1 PHE A 88 14.296 4.587 -0.959 1.00 0.00 H new ATOM 0 HE2 PHE A 88 10.454 5.555 -2.613 1.00 0.00 H new ATOM 0 HZ PHE A 88 12.123 5.765 -0.793 1.00 0.00 H new ATOM 1464 N MET B 0 -3.859 9.785 4.701 1.00 0.00 N ATOM 1465 CA MET B 0 -3.045 10.061 5.919 1.00 0.00 C ATOM 1466 C MET B 0 -1.561 9.839 5.610 1.00 0.00 C ATOM 1467 O MET B 0 -1.014 8.785 5.866 1.00 0.00 O ATOM 1468 CB MET B 0 -3.479 9.117 7.042 1.00 0.00 C ATOM 1469 CG MET B 0 -4.897 9.478 7.488 1.00 0.00 C ATOM 1470 SD MET B 0 -5.418 8.363 8.819 1.00 0.00 S ATOM 1471 CE MET B 0 -4.312 8.982 10.116 1.00 0.00 C ATOM 0 H1 MET B 0 -4.793 10.231 4.800 1.00 0.00 H new ATOM 0 H2 MET B 0 -3.377 10.174 3.866 1.00 0.00 H new ATOM 0 H3 MET B 0 -3.976 8.758 4.587 1.00 0.00 H new ATOM 0 HA MET B 0 -3.197 11.095 6.230 1.00 0.00 H new ATOM 0 HB2 MET B 0 -3.446 8.084 6.697 1.00 0.00 H new ATOM 0 HB3 MET B 0 -2.790 9.194 7.883 1.00 0.00 H new ATOM 0 HG2 MET B 0 -4.929 10.512 7.832 1.00 0.00 H new ATOM 0 HG3 MET B 0 -5.585 9.402 6.646 1.00 0.00 H new ATOM 0 HE1 MET B 0 -4.743 8.769 11.094 1.00 0.00 H new ATOM 0 HE2 MET B 0 -3.343 8.491 10.032 1.00 0.00 H new ATOM 0 HE3 MET B 0 -4.184 10.058 10.002 1.00 0.00 H new ATOM 1483 N SER B 1 -0.906 10.826 5.059 1.00 0.00 N ATOM 1484 CA SER B 1 0.544 10.676 4.731 1.00 0.00 C ATOM 1485 C SER B 1 0.740 9.487 3.782 1.00 0.00 C ATOM 1486 O SER B 1 1.779 8.858 3.762 1.00 0.00 O ATOM 1487 CB SER B 1 1.346 10.457 6.020 1.00 0.00 C ATOM 1488 OG SER B 1 2.687 10.883 5.814 1.00 0.00 O ATOM 0 H SER B 1 -1.312 11.731 4.821 1.00 0.00 H new ATOM 0 HA SER B 1 0.899 11.583 4.242 1.00 0.00 H new ATOM 0 HB2 SER B 1 0.897 11.015 6.841 1.00 0.00 H new ATOM 0 HB3 SER B 1 1.325 9.404 6.301 1.00 0.00 H new ATOM 0 HG SER B 1 3.203 10.747 6.636 1.00 0.00 H new ATOM 1494 N GLU B 2 -0.249 9.190 2.988 1.00 0.00 N ATOM 1495 CA GLU B 2 -0.136 8.059 2.021 1.00 0.00 C ATOM 1496 C GLU B 2 0.742 8.494 0.851 1.00 0.00 C ATOM 1497 O GLU B 2 0.790 7.853 -0.180 1.00 0.00 O ATOM 1498 CB GLU B 2 -1.527 7.685 1.505 1.00 0.00 C ATOM 1499 CG GLU B 2 -2.226 8.934 0.962 1.00 0.00 C ATOM 1500 CD GLU B 2 -3.624 8.560 0.463 1.00 0.00 C ATOM 1501 OE1 GLU B 2 -3.713 7.938 -0.582 1.00 0.00 O ATOM 1502 OE2 GLU B 2 -4.582 8.902 1.136 1.00 0.00 O ATOM 0 H GLU B 2 -1.140 9.686 2.966 1.00 0.00 H new ATOM 0 HA GLU B 2 0.307 7.194 2.515 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -1.445 6.932 0.721 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -2.118 7.245 2.308 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -2.297 9.692 1.742 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -1.642 9.367 0.150 1.00 0.00 H new ATOM 1509 N LEU B 3 1.410 9.599 0.996 1.00 0.00 N ATOM 1510 CA LEU B 3 2.260 10.114 -0.109 1.00 0.00 C ATOM 1511 C LEU B 3 3.352 9.091 -0.471 1.00 0.00 C ATOM 1512 O LEU B 3 3.744 8.983 -1.608 1.00 0.00 O ATOM 1513 CB LEU B 3 2.899 11.452 0.337 1.00 0.00 C ATOM 1514 CG LEU B 3 2.884 12.468 -0.812 1.00 0.00 C ATOM 1515 CD1 LEU B 3 3.475 13.796 -0.330 1.00 0.00 C ATOM 1516 CD2 LEU B 3 3.721 11.933 -1.970 1.00 0.00 C ATOM 0 H LEU B 3 1.404 10.173 1.839 1.00 0.00 H new ATOM 0 HA LEU B 3 1.648 10.278 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU B 3 2.355 11.854 1.192 1.00 0.00 H new ATOM 0 HB3 LEU B 3 3.924 11.280 0.664 1.00 0.00 H new ATOM 0 HG LEU B 3 1.858 12.627 -1.143 1.00 0.00 H new ATOM 0 HD11 LEU B 3 3.464 14.517 -1.147 1.00 0.00 H new ATOM 0 HD12 LEU B 3 2.881 14.179 0.500 1.00 0.00 H new ATOM 0 HD13 LEU B 3 4.502 13.639 0.001 1.00 0.00 H new ATOM 0 HD21 LEU B 3 3.712 12.653 -2.788 1.00 0.00 H new ATOM 0 HD22 LEU B 3 4.747 11.776 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU B 3 3.303 10.987 -2.315 1.00 0.00 H new ATOM 1528 N GLU B 4 3.853 8.354 0.479 1.00 0.00 N ATOM 1529 CA GLU B 4 4.926 7.354 0.163 1.00 0.00 C ATOM 1530 C GLU B 4 4.421 6.326 -0.851 1.00 0.00 C ATOM 1531 O GLU B 4 5.136 5.911 -1.741 1.00 0.00 O ATOM 1532 CB GLU B 4 5.337 6.622 1.444 1.00 0.00 C ATOM 1533 CG GLU B 4 6.093 7.574 2.371 1.00 0.00 C ATOM 1534 CD GLU B 4 6.351 6.881 3.710 1.00 0.00 C ATOM 1535 OE1 GLU B 4 5.947 5.739 3.850 1.00 0.00 O ATOM 1536 OE2 GLU B 4 6.952 7.503 4.571 1.00 0.00 O ATOM 0 H GLU B 4 3.572 8.395 1.459 1.00 0.00 H new ATOM 0 HA GLU B 4 5.779 7.885 -0.259 1.00 0.00 H new ATOM 0 HB2 GLU B 4 4.453 6.234 1.950 1.00 0.00 H new ATOM 0 HB3 GLU B 4 5.965 5.766 1.198 1.00 0.00 H new ATOM 0 HG2 GLU B 4 7.037 7.870 1.914 1.00 0.00 H new ATOM 0 HG3 GLU B 4 5.514 8.485 2.526 1.00 0.00 H new ATOM 1543 N LYS B 5 3.203 5.900 -0.712 1.00 0.00 N ATOM 1544 CA LYS B 5 2.648 4.884 -1.650 1.00 0.00 C ATOM 1545 C LYS B 5 2.486 5.492 -3.037 1.00 0.00 C ATOM 1546 O LYS B 5 2.720 4.847 -4.034 1.00 0.00 O ATOM 1547 CB LYS B 5 1.289 4.418 -1.131 1.00 0.00 C ATOM 1548 CG LYS B 5 1.492 3.583 0.134 1.00 0.00 C ATOM 1549 CD LYS B 5 0.134 3.110 0.664 1.00 0.00 C ATOM 1550 CE LYS B 5 -0.721 4.319 1.081 1.00 0.00 C ATOM 1551 NZ LYS B 5 -1.675 3.902 2.148 1.00 0.00 N ATOM 0 H LYS B 5 2.560 6.212 0.016 1.00 0.00 H new ATOM 0 HA LYS B 5 3.330 4.036 -1.714 1.00 0.00 H new ATOM 0 HB2 LYS B 5 0.655 5.278 -0.915 1.00 0.00 H new ATOM 0 HB3 LYS B 5 0.779 3.828 -1.892 1.00 0.00 H new ATOM 0 HG2 LYS B 5 2.127 2.724 -0.083 1.00 0.00 H new ATOM 0 HG3 LYS B 5 2.004 4.174 0.893 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -0.385 2.535 -0.104 1.00 0.00 H new ATOM 0 HD3 LYS B 5 0.279 2.446 1.516 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -0.081 5.124 1.443 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -1.266 4.708 0.221 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -2.255 4.717 2.433 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -2.292 3.147 1.786 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -1.144 3.551 2.970 1.00 0.00 H new ATOM 1565 N ALA B 6 2.058 6.717 -3.109 1.00 0.00 N ATOM 1566 CA ALA B 6 1.853 7.355 -4.439 1.00 0.00 C ATOM 1567 C ALA B 6 3.183 7.543 -5.172 1.00 0.00 C ATOM 1568 O ALA B 6 3.268 7.364 -6.368 1.00 0.00 O ATOM 1569 CB ALA B 6 1.171 8.715 -4.252 1.00 0.00 C ATOM 0 H ALA B 6 1.840 7.307 -2.306 1.00 0.00 H new ATOM 0 HA ALA B 6 1.222 6.702 -5.041 1.00 0.00 H new ATOM 0 HB1 ALA B 6 1.020 9.183 -5.225 1.00 0.00 H new ATOM 0 HB2 ALA B 6 0.207 8.574 -3.764 1.00 0.00 H new ATOM 0 HB3 ALA B 6 1.800 9.356 -3.634 1.00 0.00 H new ATOM 1575 N MET B 7 4.211 7.920 -4.478 1.00 0.00 N ATOM 1576 CA MET B 7 5.522 8.137 -5.147 1.00 0.00 C ATOM 1577 C MET B 7 6.053 6.823 -5.702 1.00 0.00 C ATOM 1578 O MET B 7 6.619 6.762 -6.779 1.00 0.00 O ATOM 1579 CB MET B 7 6.518 8.715 -4.140 1.00 0.00 C ATOM 1580 CG MET B 7 6.080 10.131 -3.773 1.00 0.00 C ATOM 1581 SD MET B 7 7.318 10.900 -2.696 1.00 0.00 S ATOM 1582 CE MET B 7 7.152 12.594 -3.318 1.00 0.00 C ATOM 0 H MET B 7 4.204 8.089 -3.472 1.00 0.00 H new ATOM 0 HA MET B 7 5.390 8.837 -5.972 1.00 0.00 H new ATOM 0 HB2 MET B 7 6.559 8.090 -3.248 1.00 0.00 H new ATOM 0 HB3 MET B 7 7.521 8.729 -4.566 1.00 0.00 H new ATOM 0 HG2 MET B 7 5.951 10.727 -4.677 1.00 0.00 H new ATOM 0 HG3 MET B 7 5.114 10.103 -3.269 1.00 0.00 H new ATOM 0 HE1 MET B 7 7.800 13.257 -2.745 1.00 0.00 H new ATOM 0 HE2 MET B 7 7.439 12.625 -4.369 1.00 0.00 H new ATOM 0 HE3 MET B 7 6.117 12.920 -3.215 1.00 0.00 H new ATOM 1592 N VAL B 8 5.883 5.779 -4.963 1.00 0.00 N ATOM 1593 CA VAL B 8 6.385 4.451 -5.407 1.00 0.00 C ATOM 1594 C VAL B 8 5.577 3.949 -6.607 1.00 0.00 C ATOM 1595 O VAL B 8 6.097 3.304 -7.495 1.00 0.00 O ATOM 1596 CB VAL B 8 6.257 3.457 -4.248 1.00 0.00 C ATOM 1597 CG1 VAL B 8 6.546 2.037 -4.744 1.00 0.00 C ATOM 1598 CG2 VAL B 8 7.255 3.828 -3.149 1.00 0.00 C ATOM 0 H VAL B 8 5.413 5.781 -4.058 1.00 0.00 H new ATOM 0 HA VAL B 8 7.429 4.543 -5.706 1.00 0.00 H new ATOM 0 HB VAL B 8 5.243 3.496 -3.851 1.00 0.00 H new ATOM 0 HG11 VAL B 8 6.453 1.336 -3.915 1.00 0.00 H new ATOM 0 HG12 VAL B 8 5.833 1.772 -5.525 1.00 0.00 H new ATOM 0 HG13 VAL B 8 7.558 1.991 -5.146 1.00 0.00 H new ATOM 0 HG21 VAL B 8 7.166 3.122 -2.323 1.00 0.00 H new ATOM 0 HG22 VAL B 8 8.268 3.791 -3.550 1.00 0.00 H new ATOM 0 HG23 VAL B 8 7.043 4.835 -2.790 1.00 0.00 H new ATOM 1608 N ALA B 9 4.304 4.204 -6.612 1.00 0.00 N ATOM 1609 CA ALA B 9 3.440 3.703 -7.722 1.00 0.00 C ATOM 1610 C ALA B 9 3.731 4.429 -9.032 1.00 0.00 C ATOM 1611 O ALA B 9 3.733 3.828 -10.084 1.00 0.00 O ATOM 1612 CB ALA B 9 1.977 3.900 -7.345 1.00 0.00 C ATOM 0 H ALA B 9 3.817 4.740 -5.894 1.00 0.00 H new ATOM 0 HA ALA B 9 3.655 2.645 -7.871 1.00 0.00 H new ATOM 0 HB1 ALA B 9 1.341 3.536 -8.152 1.00 0.00 H new ATOM 0 HB2 ALA B 9 1.759 3.345 -6.432 1.00 0.00 H new ATOM 0 HB3 ALA B 9 1.783 4.960 -7.180 1.00 0.00 H new ATOM 1618 N LEU B 10 3.953 5.707 -8.995 1.00 0.00 N ATOM 1619 CA LEU B 10 4.216 6.428 -10.271 1.00 0.00 C ATOM 1620 C LEU B 10 5.455 5.823 -10.916 1.00 0.00 C ATOM 1621 O LEU B 10 5.519 5.630 -12.112 1.00 0.00 O ATOM 1622 CB LEU B 10 4.467 7.908 -9.986 1.00 0.00 C ATOM 1623 CG LEU B 10 3.195 8.568 -9.414 1.00 0.00 C ATOM 1624 CD1 LEU B 10 3.583 9.788 -8.578 1.00 0.00 C ATOM 1625 CD2 LEU B 10 2.279 9.033 -10.553 1.00 0.00 C ATOM 0 H LEU B 10 3.965 6.280 -8.152 1.00 0.00 H new ATOM 0 HA LEU B 10 3.357 6.335 -10.935 1.00 0.00 H new ATOM 0 HB2 LEU B 10 5.289 8.014 -9.279 1.00 0.00 H new ATOM 0 HB3 LEU B 10 4.767 8.416 -10.903 1.00 0.00 H new ATOM 0 HG LEU B 10 2.672 7.836 -8.798 1.00 0.00 H new ATOM 0 HD11 LEU B 10 2.684 10.253 -8.174 1.00 0.00 H new ATOM 0 HD12 LEU B 10 4.230 9.476 -7.758 1.00 0.00 H new ATOM 0 HD13 LEU B 10 4.113 10.505 -9.205 1.00 0.00 H new ATOM 0 HD21 LEU B 10 1.385 9.497 -10.135 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.808 9.757 -11.173 1.00 0.00 H new ATOM 0 HD23 LEU B 10 1.992 8.176 -11.162 1.00 0.00 H new ATOM 1637 N ILE B 11 6.434 5.509 -10.122 1.00 0.00 N ATOM 1638 CA ILE B 11 7.672 4.898 -10.665 1.00 0.00 C ATOM 1639 C ILE B 11 7.365 3.517 -11.270 1.00 0.00 C ATOM 1640 O ILE B 11 7.908 3.155 -12.295 1.00 0.00 O ATOM 1641 CB ILE B 11 8.716 4.795 -9.543 1.00 0.00 C ATOM 1642 CG1 ILE B 11 9.227 6.208 -9.219 1.00 0.00 C ATOM 1643 CG2 ILE B 11 9.880 3.902 -9.978 1.00 0.00 C ATOM 1644 CD1 ILE B 11 10.079 6.186 -7.948 1.00 0.00 C ATOM 0 H ILE B 11 6.429 5.651 -9.112 1.00 0.00 H new ATOM 0 HA ILE B 11 8.073 5.524 -11.462 1.00 0.00 H new ATOM 0 HB ILE B 11 8.261 4.351 -8.658 1.00 0.00 H new ATOM 0 HG12 ILE B 11 9.816 6.589 -10.053 1.00 0.00 H new ATOM 0 HG13 ILE B 11 8.384 6.886 -9.088 1.00 0.00 H new ATOM 0 HG21 ILE B 11 10.611 3.839 -9.172 1.00 0.00 H new ATOM 0 HG22 ILE B 11 9.507 2.904 -10.208 1.00 0.00 H new ATOM 0 HG23 ILE B 11 10.352 4.326 -10.864 1.00 0.00 H new ATOM 0 HD11 ILE B 11 10.434 7.193 -7.731 1.00 0.00 H new ATOM 0 HD12 ILE B 11 9.478 5.825 -7.113 1.00 0.00 H new ATOM 0 HD13 ILE B 11 10.933 5.524 -8.094 1.00 0.00 H new ATOM 1656 N ASP B 12 6.522 2.731 -10.645 1.00 0.00 N ATOM 1657 CA ASP B 12 6.227 1.373 -11.204 1.00 0.00 C ATOM 1658 C ASP B 12 5.555 1.472 -12.586 1.00 0.00 C ATOM 1659 O ASP B 12 5.839 0.697 -13.477 1.00 0.00 O ATOM 1660 CB ASP B 12 5.299 0.622 -10.246 1.00 0.00 C ATOM 1661 CG ASP B 12 6.063 0.259 -8.972 1.00 0.00 C ATOM 1662 OD1 ASP B 12 7.281 0.330 -8.995 1.00 0.00 O ATOM 1663 OD2 ASP B 12 5.419 -0.091 -7.997 1.00 0.00 O ATOM 0 H ASP B 12 6.031 2.966 -9.783 1.00 0.00 H new ATOM 0 HA ASP B 12 7.170 0.838 -11.317 1.00 0.00 H new ATOM 0 HB2 ASP B 12 4.435 1.240 -10.001 1.00 0.00 H new ATOM 0 HB3 ASP B 12 4.919 -0.281 -10.724 1.00 0.00 H new ATOM 1668 N VAL B 13 4.658 2.403 -12.766 1.00 0.00 N ATOM 1669 CA VAL B 13 3.952 2.539 -14.083 1.00 0.00 C ATOM 1670 C VAL B 13 4.918 3.086 -15.153 1.00 0.00 C ATOM 1671 O VAL B 13 4.838 2.730 -16.318 1.00 0.00 O ATOM 1672 CB VAL B 13 2.705 3.459 -13.887 1.00 0.00 C ATOM 1673 CG1 VAL B 13 2.599 4.535 -14.978 1.00 0.00 C ATOM 1674 CG2 VAL B 13 1.414 2.618 -13.908 1.00 0.00 C ATOM 0 H VAL B 13 4.379 3.081 -12.057 1.00 0.00 H new ATOM 0 HA VAL B 13 3.611 1.566 -14.436 1.00 0.00 H new ATOM 0 HB VAL B 13 2.828 3.952 -12.923 1.00 0.00 H new ATOM 0 HG11 VAL B 13 1.717 5.149 -14.799 1.00 0.00 H new ATOM 0 HG12 VAL B 13 3.489 5.164 -14.957 1.00 0.00 H new ATOM 0 HG13 VAL B 13 2.516 4.057 -15.954 1.00 0.00 H new ATOM 0 HG21 VAL B 13 0.552 3.271 -13.770 1.00 0.00 H new ATOM 0 HG22 VAL B 13 1.330 2.104 -14.865 1.00 0.00 H new ATOM 0 HG23 VAL B 13 1.445 1.884 -13.103 1.00 0.00 H new ATOM 1684 N PHE B 14 5.823 3.944 -14.785 1.00 0.00 N ATOM 1685 CA PHE B 14 6.753 4.487 -15.808 1.00 0.00 C ATOM 1686 C PHE B 14 7.521 3.317 -16.415 1.00 0.00 C ATOM 1687 O PHE B 14 7.740 3.261 -17.601 1.00 0.00 O ATOM 1688 CB PHE B 14 7.722 5.481 -15.159 1.00 0.00 C ATOM 1689 CG PHE B 14 8.663 6.038 -16.205 1.00 0.00 C ATOM 1690 CD1 PHE B 14 8.237 7.077 -17.044 1.00 0.00 C ATOM 1691 CD2 PHE B 14 9.962 5.530 -16.329 1.00 0.00 C ATOM 1692 CE1 PHE B 14 9.108 7.605 -18.005 1.00 0.00 C ATOM 1693 CE2 PHE B 14 10.832 6.059 -17.291 1.00 0.00 C ATOM 1694 CZ PHE B 14 10.405 7.096 -18.129 1.00 0.00 C ATOM 0 H PHE B 14 5.959 4.289 -13.835 1.00 0.00 H new ATOM 0 HA PHE B 14 6.199 5.013 -16.585 1.00 0.00 H new ATOM 0 HB2 PHE B 14 7.165 6.292 -14.689 1.00 0.00 H new ATOM 0 HB3 PHE B 14 8.291 4.987 -14.371 1.00 0.00 H new ATOM 0 HD1 PHE B 14 7.236 7.471 -16.949 1.00 0.00 H new ATOM 0 HD2 PHE B 14 10.293 4.730 -15.683 1.00 0.00 H new ATOM 0 HE1 PHE B 14 8.778 8.405 -18.651 1.00 0.00 H new ATOM 0 HE2 PHE B 14 11.834 5.666 -17.386 1.00 0.00 H new ATOM 0 HZ PHE B 14 11.077 7.503 -18.871 1.00 0.00 H new ATOM 1704 N HIS B 15 7.910 2.373 -15.608 1.00 0.00 N ATOM 1705 CA HIS B 15 8.651 1.189 -16.129 1.00 0.00 C ATOM 1706 C HIS B 15 7.683 0.200 -16.790 1.00 0.00 C ATOM 1707 O HIS B 15 8.083 -0.627 -17.588 1.00 0.00 O ATOM 1708 CB HIS B 15 9.360 0.490 -14.972 1.00 0.00 C ATOM 1709 CG HIS B 15 10.271 -0.579 -15.511 1.00 0.00 C ATOM 1710 ND1 HIS B 15 11.334 -0.289 -16.356 1.00 0.00 N ATOM 1711 CD2 HIS B 15 10.295 -1.941 -15.332 1.00 0.00 C ATOM 1712 CE1 HIS B 15 11.947 -1.451 -16.650 1.00 0.00 C ATOM 1713 NE2 HIS B 15 11.352 -2.484 -16.052 1.00 0.00 N ATOM 0 H HIS B 15 7.746 2.369 -14.601 1.00 0.00 H new ATOM 0 HA HIS B 15 9.377 1.526 -16.869 1.00 0.00 H new ATOM 0 HB2 HIS B 15 9.934 1.214 -14.393 1.00 0.00 H new ATOM 0 HB3 HIS B 15 8.627 0.050 -14.295 1.00 0.00 H new ATOM 0 HD2 HIS B 15 9.600 -2.503 -14.726 1.00 0.00 H new ATOM 0 HE1 HIS B 15 12.813 -1.536 -17.290 1.00 0.00 H new ATOM 0 HE2 HIS B 15 11.617 -3.467 -16.111 1.00 0.00 H new ATOM 1722 N GLN B 16 6.422 0.253 -16.445 1.00 0.00 N ATOM 1723 CA GLN B 16 5.448 -0.713 -17.028 1.00 0.00 C ATOM 1724 C GLN B 16 5.526 -0.696 -18.553 1.00 0.00 C ATOM 1725 O GLN B 16 5.539 -1.739 -19.177 1.00 0.00 O ATOM 1726 CB GLN B 16 4.028 -0.331 -16.573 1.00 0.00 C ATOM 1727 CG GLN B 16 2.973 -1.145 -17.332 1.00 0.00 C ATOM 1728 CD GLN B 16 3.261 -2.639 -17.179 1.00 0.00 C ATOM 1729 OE1 GLN B 16 3.341 -3.144 -16.077 1.00 0.00 O ATOM 1730 NE2 GLN B 16 3.417 -3.374 -18.246 1.00 0.00 N ATOM 0 H GLN B 16 6.027 0.923 -15.785 1.00 0.00 H new ATOM 0 HA GLN B 16 5.689 -1.718 -16.682 1.00 0.00 H new ATOM 0 HB2 GLN B 16 3.926 -0.505 -15.502 1.00 0.00 H new ATOM 0 HB3 GLN B 16 3.862 0.733 -16.741 1.00 0.00 H new ATOM 0 HG2 GLN B 16 1.979 -0.916 -16.948 1.00 0.00 H new ATOM 0 HG3 GLN B 16 2.979 -0.871 -18.387 1.00 0.00 H new ATOM 0 HE21 GLN B 16 3.350 -2.950 -19.171 1.00 0.00 H new ATOM 0 HE22 GLN B 16 3.606 -4.372 -18.155 1.00 0.00 H new ATOM 1739 N TYR B 17 5.561 0.462 -19.165 1.00 0.00 N ATOM 1740 CA TYR B 17 5.616 0.512 -20.674 1.00 0.00 C ATOM 1741 C TYR B 17 6.922 1.149 -21.171 1.00 0.00 C ATOM 1742 O TYR B 17 7.349 0.901 -22.281 1.00 0.00 O ATOM 1743 CB TYR B 17 4.428 1.326 -21.187 1.00 0.00 C ATOM 1744 CG TYR B 17 4.571 2.753 -20.728 1.00 0.00 C ATOM 1745 CD1 TYR B 17 4.357 3.072 -19.385 1.00 0.00 C ATOM 1746 CD2 TYR B 17 4.925 3.753 -21.639 1.00 0.00 C ATOM 1747 CE1 TYR B 17 4.499 4.389 -18.950 1.00 0.00 C ATOM 1748 CE2 TYR B 17 5.063 5.075 -21.207 1.00 0.00 C ATOM 1749 CZ TYR B 17 4.852 5.395 -19.860 1.00 0.00 C ATOM 1750 OH TYR B 17 4.995 6.698 -19.428 1.00 0.00 O ATOM 0 H TYR B 17 5.554 1.369 -18.699 1.00 0.00 H new ATOM 0 HA TYR B 17 5.575 -0.509 -21.053 1.00 0.00 H new ATOM 0 HB2 TYR B 17 4.386 1.284 -22.275 1.00 0.00 H new ATOM 0 HB3 TYR B 17 3.495 0.904 -20.815 1.00 0.00 H new ATOM 0 HD1 TYR B 17 4.082 2.298 -18.684 1.00 0.00 H new ATOM 0 HD2 TYR B 17 5.092 3.504 -22.677 1.00 0.00 H new ATOM 0 HE1 TYR B 17 4.337 4.634 -17.911 1.00 0.00 H new ATOM 0 HE2 TYR B 17 5.332 5.849 -21.911 1.00 0.00 H new ATOM 0 HH TYR B 17 5.661 7.155 -19.983 1.00 0.00 H new ATOM 1760 N SER B 18 7.551 1.979 -20.386 1.00 0.00 N ATOM 1761 CA SER B 18 8.813 2.630 -20.864 1.00 0.00 C ATOM 1762 C SER B 18 9.899 1.582 -21.132 1.00 0.00 C ATOM 1763 O SER B 18 10.566 1.615 -22.148 1.00 0.00 O ATOM 1764 CB SER B 18 9.327 3.609 -19.809 1.00 0.00 C ATOM 1765 OG SER B 18 8.301 4.539 -19.490 1.00 0.00 O ATOM 0 H SER B 18 7.254 2.235 -19.444 1.00 0.00 H new ATOM 0 HA SER B 18 8.588 3.160 -21.790 1.00 0.00 H new ATOM 0 HB2 SER B 18 9.634 3.068 -18.914 1.00 0.00 H new ATOM 0 HB3 SER B 18 10.206 4.134 -20.182 1.00 0.00 H new ATOM 0 HG SER B 18 8.015 4.405 -18.562 1.00 0.00 H new ATOM 1771 N GLY B 19 10.101 0.669 -20.223 1.00 0.00 N ATOM 1772 CA GLY B 19 11.166 -0.359 -20.419 1.00 0.00 C ATOM 1773 C GLY B 19 10.720 -1.425 -21.426 1.00 0.00 C ATOM 1774 O GLY B 19 11.269 -2.508 -21.469 1.00 0.00 O ATOM 0 H GLY B 19 9.576 0.589 -19.352 1.00 0.00 H new ATOM 0 HA2 GLY B 19 12.079 0.121 -20.772 1.00 0.00 H new ATOM 0 HA3 GLY B 19 11.402 -0.830 -19.465 1.00 0.00 H new ATOM 1778 N ARG B 20 9.728 -1.146 -22.227 1.00 0.00 N ATOM 1779 CA ARG B 20 9.269 -2.173 -23.207 1.00 0.00 C ATOM 1780 C ARG B 20 10.409 -2.557 -24.168 1.00 0.00 C ATOM 1781 O ARG B 20 10.603 -3.718 -24.467 1.00 0.00 O ATOM 1782 CB ARG B 20 8.060 -1.637 -23.990 1.00 0.00 C ATOM 1783 CG ARG B 20 8.481 -0.513 -24.944 1.00 0.00 C ATOM 1784 CD ARG B 20 7.246 0.035 -25.656 1.00 0.00 C ATOM 1785 NE ARG B 20 7.663 0.875 -26.813 1.00 0.00 N ATOM 1786 CZ ARG B 20 6.815 1.128 -27.773 1.00 0.00 C ATOM 1787 NH1 ARG B 20 5.614 0.618 -27.734 1.00 0.00 N ATOM 1788 NH2 ARG B 20 7.172 1.880 -28.778 1.00 0.00 N ATOM 0 H ARG B 20 9.220 -0.262 -22.247 1.00 0.00 H new ATOM 0 HA ARG B 20 8.971 -3.070 -22.664 1.00 0.00 H new ATOM 0 HB2 ARG B 20 7.600 -2.447 -24.556 1.00 0.00 H new ATOM 0 HB3 ARG B 20 7.307 -1.266 -23.295 1.00 0.00 H new ATOM 0 HG2 ARG B 20 8.978 0.283 -24.389 1.00 0.00 H new ATOM 0 HG3 ARG B 20 9.198 -0.889 -25.673 1.00 0.00 H new ATOM 0 HD2 ARG B 20 6.618 -0.787 -25.999 1.00 0.00 H new ATOM 0 HD3 ARG B 20 6.647 0.626 -24.963 1.00 0.00 H new ATOM 0 HE ARG B 20 8.610 1.252 -26.855 1.00 0.00 H new ATOM 0 HH11 ARG B 20 5.338 0.022 -26.954 1.00 0.00 H new ATOM 0 HH12 ARG B 20 4.951 0.816 -28.484 1.00 0.00 H new ATOM 0 HH21 ARG B 20 8.114 2.270 -28.814 1.00 0.00 H new ATOM 0 HH22 ARG B 20 6.509 2.077 -29.528 1.00 0.00 H new ATOM 1802 N GLU B 21 11.169 -1.595 -24.649 1.00 0.00 N ATOM 1803 CA GLU B 21 12.304 -1.903 -25.589 1.00 0.00 C ATOM 1804 C GLU B 21 13.637 -1.597 -24.900 1.00 0.00 C ATOM 1805 O GLU B 21 14.601 -2.321 -25.054 1.00 0.00 O ATOM 1806 CB GLU B 21 12.174 -1.042 -26.861 1.00 0.00 C ATOM 1807 CG GLU B 21 11.236 -1.720 -27.868 1.00 0.00 C ATOM 1808 CD GLU B 21 11.113 -0.844 -29.116 1.00 0.00 C ATOM 1809 OE1 GLU B 21 11.580 0.283 -29.073 1.00 0.00 O ATOM 1810 OE2 GLU B 21 10.553 -1.313 -30.093 1.00 0.00 O ATOM 0 H GLU B 21 11.052 -0.606 -24.430 1.00 0.00 H new ATOM 0 HA GLU B 21 12.269 -2.958 -25.862 1.00 0.00 H new ATOM 0 HB2 GLU B 21 11.790 -0.055 -26.603 1.00 0.00 H new ATOM 0 HB3 GLU B 21 13.156 -0.894 -27.310 1.00 0.00 H new ATOM 0 HG2 GLU B 21 11.622 -2.703 -28.137 1.00 0.00 H new ATOM 0 HG3 GLU B 21 10.254 -1.875 -27.420 1.00 0.00 H new ATOM 1817 N GLY B 22 13.706 -0.534 -24.144 1.00 0.00 N ATOM 1818 CA GLY B 22 14.988 -0.204 -23.459 1.00 0.00 C ATOM 1819 C GLY B 22 15.056 1.290 -23.124 1.00 0.00 C ATOM 1820 O GLY B 22 15.969 1.730 -22.454 1.00 0.00 O ATOM 0 H GLY B 22 12.938 0.114 -23.972 1.00 0.00 H new ATOM 0 HA2 GLY B 22 15.079 -0.791 -22.545 1.00 0.00 H new ATOM 0 HA3 GLY B 22 15.828 -0.477 -24.098 1.00 0.00 H new ATOM 1824 N ASP B 23 14.113 2.084 -23.566 1.00 0.00 N ATOM 1825 CA ASP B 23 14.177 3.530 -23.236 1.00 0.00 C ATOM 1826 C ASP B 23 13.853 3.696 -21.747 1.00 0.00 C ATOM 1827 O ASP B 23 12.992 4.455 -21.360 1.00 0.00 O ATOM 1828 CB ASP B 23 13.166 4.293 -24.101 1.00 0.00 C ATOM 1829 CG ASP B 23 13.075 3.629 -25.477 1.00 0.00 C ATOM 1830 OD1 ASP B 23 14.035 2.984 -25.866 1.00 0.00 O ATOM 1831 OD2 ASP B 23 12.048 3.777 -26.118 1.00 0.00 O ATOM 0 H ASP B 23 13.315 1.795 -24.132 1.00 0.00 H new ATOM 0 HA ASP B 23 15.171 3.930 -23.437 1.00 0.00 H new ATOM 0 HB2 ASP B 23 12.188 4.296 -23.620 1.00 0.00 H new ATOM 0 HB3 ASP B 23 13.472 5.334 -24.206 1.00 0.00 H new ATOM 1836 N LYS B 24 14.534 2.966 -20.914 1.00 0.00 N ATOM 1837 CA LYS B 24 14.277 3.048 -19.450 1.00 0.00 C ATOM 1838 C LYS B 24 14.678 4.430 -18.909 1.00 0.00 C ATOM 1839 O LYS B 24 14.009 4.987 -18.061 1.00 0.00 O ATOM 1840 CB LYS B 24 15.091 1.959 -18.748 1.00 0.00 C ATOM 1841 CG LYS B 24 14.849 2.016 -17.239 1.00 0.00 C ATOM 1842 CD LYS B 24 15.450 0.769 -16.582 1.00 0.00 C ATOM 1843 CE LYS B 24 16.955 0.705 -16.862 1.00 0.00 C ATOM 1844 NZ LYS B 24 17.612 -0.171 -15.851 1.00 0.00 N ATOM 0 H LYS B 24 15.265 2.309 -21.186 1.00 0.00 H new ATOM 0 HA LYS B 24 13.214 2.902 -19.260 1.00 0.00 H new ATOM 0 HB2 LYS B 24 14.810 0.979 -19.133 1.00 0.00 H new ATOM 0 HB3 LYS B 24 16.152 2.093 -18.960 1.00 0.00 H new ATOM 0 HG2 LYS B 24 15.301 2.915 -16.820 1.00 0.00 H new ATOM 0 HG3 LYS B 24 13.780 2.071 -17.032 1.00 0.00 H new ATOM 0 HD2 LYS B 24 15.272 0.792 -15.507 1.00 0.00 H new ATOM 0 HD3 LYS B 24 14.961 -0.126 -16.966 1.00 0.00 H new ATOM 0 HE2 LYS B 24 17.133 0.317 -17.865 1.00 0.00 H new ATOM 0 HE3 LYS B 24 17.385 1.706 -16.826 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 18.634 -0.215 -16.041 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 17.453 0.217 -14.899 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 17.209 -1.128 -15.906 1.00 0.00 H new ATOM 1858 N HIS B 25 15.776 4.981 -19.370 1.00 0.00 N ATOM 1859 CA HIS B 25 16.224 6.316 -18.853 1.00 0.00 C ATOM 1860 C HIS B 25 15.598 7.460 -19.663 1.00 0.00 C ATOM 1861 O HIS B 25 15.761 8.619 -19.335 1.00 0.00 O ATOM 1862 CB HIS B 25 17.751 6.405 -18.936 1.00 0.00 C ATOM 1863 CG HIS B 25 18.202 6.153 -20.348 1.00 0.00 C ATOM 1864 ND1 HIS B 25 18.706 7.164 -21.154 1.00 0.00 N ATOM 1865 CD2 HIS B 25 18.246 5.009 -21.108 1.00 0.00 C ATOM 1866 CE1 HIS B 25 19.028 6.615 -22.340 1.00 0.00 C ATOM 1867 NE2 HIS B 25 18.768 5.307 -22.362 1.00 0.00 N ATOM 0 H HIS B 25 16.380 4.567 -20.080 1.00 0.00 H new ATOM 0 HA HIS B 25 15.899 6.413 -17.817 1.00 0.00 H new ATOM 0 HB2 HIS B 25 18.085 7.390 -18.609 1.00 0.00 H new ATOM 0 HB3 HIS B 25 18.204 5.675 -18.265 1.00 0.00 H new ATOM 0 HD2 HIS B 25 17.925 4.031 -20.782 1.00 0.00 H new ATOM 0 HE1 HIS B 25 19.445 7.165 -23.171 1.00 0.00 H new ATOM 0 HE2 HIS B 25 18.920 4.661 -23.136 1.00 0.00 H new ATOM 1876 N LYS B 26 14.873 7.155 -20.705 1.00 0.00 N ATOM 1877 CA LYS B 26 14.226 8.235 -21.515 1.00 0.00 C ATOM 1878 C LYS B 26 12.931 7.696 -22.110 1.00 0.00 C ATOM 1879 O LYS B 26 12.799 6.520 -22.362 1.00 0.00 O ATOM 1880 CB LYS B 26 15.173 8.699 -22.628 1.00 0.00 C ATOM 1881 CG LYS B 26 15.371 7.583 -23.653 1.00 0.00 C ATOM 1882 CD LYS B 26 16.503 7.977 -24.607 1.00 0.00 C ATOM 1883 CE LYS B 26 16.570 6.988 -25.773 1.00 0.00 C ATOM 1884 NZ LYS B 26 17.153 5.704 -25.294 1.00 0.00 N ATOM 0 H LYS B 26 14.699 6.205 -21.033 1.00 0.00 H new ATOM 0 HA LYS B 26 14.005 9.091 -20.878 1.00 0.00 H new ATOM 0 HB2 LYS B 26 14.765 9.584 -23.117 1.00 0.00 H new ATOM 0 HB3 LYS B 26 16.134 8.985 -22.201 1.00 0.00 H new ATOM 0 HG2 LYS B 26 15.612 6.647 -23.149 1.00 0.00 H new ATOM 0 HG3 LYS B 26 14.449 7.416 -24.211 1.00 0.00 H new ATOM 0 HD2 LYS B 26 16.338 8.986 -24.984 1.00 0.00 H new ATOM 0 HD3 LYS B 26 17.453 7.988 -24.073 1.00 0.00 H new ATOM 0 HE2 LYS B 26 15.573 6.819 -26.180 1.00 0.00 H new ATOM 0 HE3 LYS B 26 17.178 7.399 -26.579 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 17.994 5.472 -25.860 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 17.424 5.797 -24.294 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 16.449 4.945 -25.392 1.00 0.00 H new ATOM 1898 N LEU B 27 11.964 8.547 -22.320 1.00 0.00 N ATOM 1899 CA LEU B 27 10.654 8.093 -22.882 1.00 0.00 C ATOM 1900 C LEU B 27 10.472 8.692 -24.271 1.00 0.00 C ATOM 1901 O LEU B 27 10.606 9.880 -24.457 1.00 0.00 O ATOM 1902 CB LEU B 27 9.526 8.587 -21.962 1.00 0.00 C ATOM 1903 CG LEU B 27 8.234 7.792 -22.230 1.00 0.00 C ATOM 1904 CD1 LEU B 27 8.252 6.475 -21.431 1.00 0.00 C ATOM 1905 CD2 LEU B 27 7.013 8.625 -21.807 1.00 0.00 C ATOM 0 H LEU B 27 12.023 9.547 -22.125 1.00 0.00 H new ATOM 0 HA LEU B 27 10.630 7.005 -22.949 1.00 0.00 H new ATOM 0 HB2 LEU B 27 9.822 8.474 -20.919 1.00 0.00 H new ATOM 0 HB3 LEU B 27 9.349 9.649 -22.130 1.00 0.00 H new ATOM 0 HG LEU B 27 8.172 7.569 -23.295 1.00 0.00 H new ATOM 0 HD11 LEU B 27 7.335 5.919 -21.626 1.00 0.00 H new ATOM 0 HD12 LEU B 27 9.111 5.877 -21.735 1.00 0.00 H new ATOM 0 HD13 LEU B 27 8.323 6.696 -20.366 1.00 0.00 H new ATOM 0 HD21 LEU B 27 6.102 8.058 -21.999 1.00 0.00 H new ATOM 0 HD22 LEU B 27 7.080 8.855 -20.744 1.00 0.00 H new ATOM 0 HD23 LEU B 27 6.990 9.553 -22.378 1.00 0.00 H new ATOM 1917 N LYS B 28 10.168 7.886 -25.253 1.00 0.00 N ATOM 1918 CA LYS B 28 9.978 8.436 -26.623 1.00 0.00 C ATOM 1919 C LYS B 28 8.496 8.697 -26.853 1.00 0.00 C ATOM 1920 O LYS B 28 7.650 7.997 -26.333 1.00 0.00 O ATOM 1921 CB LYS B 28 10.456 7.411 -27.652 1.00 0.00 C ATOM 1922 CG LYS B 28 11.934 7.109 -27.427 1.00 0.00 C ATOM 1923 CD LYS B 28 12.407 6.083 -28.459 1.00 0.00 C ATOM 1924 CE LYS B 28 13.889 5.780 -28.234 1.00 0.00 C ATOM 1925 NZ LYS B 28 14.378 4.866 -29.305 1.00 0.00 N ATOM 0 H LYS B 28 10.044 6.877 -25.165 1.00 0.00 H new ATOM 0 HA LYS B 28 10.546 9.361 -26.726 1.00 0.00 H new ATOM 0 HB2 LYS B 28 9.871 6.495 -27.567 1.00 0.00 H new ATOM 0 HB3 LYS B 28 10.303 7.795 -28.661 1.00 0.00 H new ATOM 0 HG2 LYS B 28 12.520 8.024 -27.513 1.00 0.00 H new ATOM 0 HG3 LYS B 28 12.088 6.725 -26.419 1.00 0.00 H new ATOM 0 HD2 LYS B 28 11.821 5.168 -28.373 1.00 0.00 H new ATOM 0 HD3 LYS B 28 12.252 6.467 -29.467 1.00 0.00 H new ATOM 0 HE2 LYS B 28 14.465 6.705 -28.240 1.00 0.00 H new ATOM 0 HE3 LYS B 28 14.033 5.321 -27.256 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 15.386 4.660 -29.152 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 13.835 3.979 -29.279 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 14.254 5.320 -30.232 1.00 0.00 H new ATOM 1939 N LYS B 29 8.167 9.678 -27.654 1.00 0.00 N ATOM 1940 CA LYS B 29 6.734 9.950 -27.943 1.00 0.00 C ATOM 1941 C LYS B 29 6.073 8.624 -28.307 1.00 0.00 C ATOM 1942 O LYS B 29 4.875 8.453 -28.214 1.00 0.00 O ATOM 1943 CB LYS B 29 6.624 10.931 -29.119 1.00 0.00 C ATOM 1944 CG LYS B 29 7.067 10.263 -30.427 1.00 0.00 C ATOM 1945 CD LYS B 29 7.182 11.333 -31.519 1.00 0.00 C ATOM 1946 CE LYS B 29 7.381 10.666 -32.882 1.00 0.00 C ATOM 1947 NZ LYS B 29 7.573 11.715 -33.925 1.00 0.00 N ATOM 0 H LYS B 29 8.830 10.299 -28.118 1.00 0.00 H new ATOM 0 HA LYS B 29 6.243 10.392 -27.076 1.00 0.00 H new ATOM 0 HB2 LYS B 29 5.595 11.279 -29.213 1.00 0.00 H new ATOM 0 HB3 LYS B 29 7.241 11.808 -28.926 1.00 0.00 H new ATOM 0 HG2 LYS B 29 8.025 9.762 -30.288 1.00 0.00 H new ATOM 0 HG3 LYS B 29 6.348 9.499 -30.722 1.00 0.00 H new ATOM 0 HD2 LYS B 29 6.283 11.949 -31.533 1.00 0.00 H new ATOM 0 HD3 LYS B 29 8.019 11.997 -31.303 1.00 0.00 H new ATOM 0 HE2 LYS B 29 8.247 10.005 -32.852 1.00 0.00 H new ATOM 0 HE3 LYS B 29 6.517 10.049 -33.127 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 7.708 11.263 -34.852 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 6.734 12.329 -33.959 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 8.411 12.286 -33.693 1.00 0.00 H new ATOM 1961 N SER B 30 6.878 7.685 -28.715 1.00 0.00 N ATOM 1962 CA SER B 30 6.347 6.343 -29.088 1.00 0.00 C ATOM 1963 C SER B 30 5.889 5.604 -27.828 1.00 0.00 C ATOM 1964 O SER B 30 4.763 5.159 -27.734 1.00 0.00 O ATOM 1965 CB SER B 30 7.444 5.535 -29.781 1.00 0.00 C ATOM 1966 OG SER B 30 6.956 4.232 -30.071 1.00 0.00 O ATOM 0 H SER B 30 7.888 7.789 -28.807 1.00 0.00 H new ATOM 0 HA SER B 30 5.501 6.464 -29.765 1.00 0.00 H new ATOM 0 HB2 SER B 30 7.753 6.033 -30.700 1.00 0.00 H new ATOM 0 HB3 SER B 30 8.324 5.472 -29.141 1.00 0.00 H new ATOM 0 HG SER B 30 7.657 3.712 -30.517 1.00 0.00 H new ATOM 1972 N GLU B 31 6.750 5.483 -26.853 1.00 0.00 N ATOM 1973 CA GLU B 31 6.356 4.787 -25.598 1.00 0.00 C ATOM 1974 C GLU B 31 5.250 5.594 -24.923 1.00 0.00 C ATOM 1975 O GLU B 31 4.367 5.058 -24.285 1.00 0.00 O ATOM 1976 CB GLU B 31 7.564 4.677 -24.670 1.00 0.00 C ATOM 1977 CG GLU B 31 8.569 3.682 -25.251 1.00 0.00 C ATOM 1978 CD GLU B 31 9.773 3.578 -24.318 1.00 0.00 C ATOM 1979 OE1 GLU B 31 9.859 4.384 -23.407 1.00 0.00 O ATOM 1980 OE2 GLU B 31 10.588 2.694 -24.528 1.00 0.00 O ATOM 0 H GLU B 31 7.707 5.836 -26.873 1.00 0.00 H new ATOM 0 HA GLU B 31 5.996 3.783 -25.822 1.00 0.00 H new ATOM 0 HB2 GLU B 31 8.032 5.654 -24.549 1.00 0.00 H new ATOM 0 HB3 GLU B 31 7.246 4.351 -23.680 1.00 0.00 H new ATOM 0 HG2 GLU B 31 8.102 2.704 -25.371 1.00 0.00 H new ATOM 0 HG3 GLU B 31 8.889 4.007 -26.241 1.00 0.00 H new ATOM 1987 N LEU B 32 5.293 6.888 -25.073 1.00 0.00 N ATOM 1988 CA LEU B 32 4.251 7.750 -24.458 1.00 0.00 C ATOM 1989 C LEU B 32 2.891 7.353 -25.021 1.00 0.00 C ATOM 1990 O LEU B 32 1.912 7.289 -24.314 1.00 0.00 O ATOM 1991 CB LEU B 32 4.556 9.206 -24.818 1.00 0.00 C ATOM 1992 CG LEU B 32 3.496 10.144 -24.232 1.00 0.00 C ATOM 1993 CD1 LEU B 32 3.422 9.974 -22.708 1.00 0.00 C ATOM 1994 CD2 LEU B 32 3.875 11.592 -24.578 1.00 0.00 C ATOM 0 H LEU B 32 6.011 7.387 -25.599 1.00 0.00 H new ATOM 0 HA LEU B 32 4.242 7.632 -23.374 1.00 0.00 H new ATOM 0 HB2 LEU B 32 5.541 9.481 -24.439 1.00 0.00 H new ATOM 0 HB3 LEU B 32 4.589 9.318 -25.902 1.00 0.00 H new ATOM 0 HG LEU B 32 2.520 9.903 -24.654 1.00 0.00 H new ATOM 0 HD11 LEU B 32 2.665 10.646 -22.303 1.00 0.00 H new ATOM 0 HD12 LEU B 32 3.158 8.944 -22.469 1.00 0.00 H new ATOM 0 HD13 LEU B 32 4.391 10.211 -22.268 1.00 0.00 H new ATOM 0 HD21 LEU B 32 3.129 12.272 -24.167 1.00 0.00 H new ATOM 0 HD22 LEU B 32 4.851 11.824 -24.152 1.00 0.00 H new ATOM 0 HD23 LEU B 32 3.915 11.709 -25.661 1.00 0.00 H new ATOM 2006 N LYS B 33 2.835 7.071 -26.286 1.00 0.00 N ATOM 2007 CA LYS B 33 1.548 6.651 -26.913 1.00 0.00 C ATOM 2008 C LYS B 33 1.063 5.339 -26.290 1.00 0.00 C ATOM 2009 O LYS B 33 -0.114 5.142 -26.067 1.00 0.00 O ATOM 2010 CB LYS B 33 1.777 6.462 -28.420 1.00 0.00 C ATOM 2011 CG LYS B 33 0.547 5.832 -29.088 1.00 0.00 C ATOM 2012 CD LYS B 33 -0.707 6.654 -28.776 1.00 0.00 C ATOM 2013 CE LYS B 33 -1.807 6.302 -29.780 1.00 0.00 C ATOM 2014 NZ LYS B 33 -3.107 6.865 -29.322 1.00 0.00 N ATOM 0 H LYS B 33 3.630 7.112 -26.923 1.00 0.00 H new ATOM 0 HA LYS B 33 0.788 7.414 -26.745 1.00 0.00 H new ATOM 0 HB2 LYS B 33 1.993 7.425 -28.882 1.00 0.00 H new ATOM 0 HB3 LYS B 33 2.648 5.828 -28.582 1.00 0.00 H new ATOM 0 HG2 LYS B 33 0.697 5.780 -30.166 1.00 0.00 H new ATOM 0 HG3 LYS B 33 0.417 4.809 -28.735 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -1.047 6.449 -27.761 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -0.480 7.719 -28.827 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -1.555 6.699 -30.763 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -1.885 5.220 -29.883 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -3.877 6.216 -29.582 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -3.089 6.985 -28.289 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -3.265 7.788 -29.775 1.00 0.00 H new ATOM 2028 N GLU B 34 1.957 4.430 -26.032 1.00 0.00 N ATOM 2029 CA GLU B 34 1.538 3.121 -25.456 1.00 0.00 C ATOM 2030 C GLU B 34 0.900 3.321 -24.087 1.00 0.00 C ATOM 2031 O GLU B 34 -0.067 2.679 -23.755 1.00 0.00 O ATOM 2032 CB GLU B 34 2.741 2.183 -25.344 1.00 0.00 C ATOM 2033 CG GLU B 34 2.284 0.833 -24.781 1.00 0.00 C ATOM 2034 CD GLU B 34 3.445 -0.160 -24.826 1.00 0.00 C ATOM 2035 OE1 GLU B 34 4.448 0.161 -25.439 1.00 0.00 O ATOM 2036 OE2 GLU B 34 3.312 -1.225 -24.245 1.00 0.00 O ATOM 0 H GLU B 34 2.959 4.534 -26.194 1.00 0.00 H new ATOM 0 HA GLU B 34 0.801 2.671 -26.121 1.00 0.00 H new ATOM 0 HB2 GLU B 34 3.200 2.044 -26.323 1.00 0.00 H new ATOM 0 HB3 GLU B 34 3.499 2.622 -24.695 1.00 0.00 H new ATOM 0 HG2 GLU B 34 1.935 0.954 -23.755 1.00 0.00 H new ATOM 0 HG3 GLU B 34 1.443 0.452 -25.360 1.00 0.00 H new ATOM 2043 N LEU B 35 1.420 4.191 -23.280 1.00 0.00 N ATOM 2044 CA LEU B 35 0.792 4.394 -21.944 1.00 0.00 C ATOM 2045 C LEU B 35 -0.572 5.058 -22.128 1.00 0.00 C ATOM 2046 O LEU B 35 -1.543 4.702 -21.497 1.00 0.00 O ATOM 2047 CB LEU B 35 1.700 5.293 -21.080 1.00 0.00 C ATOM 2048 CG LEU B 35 0.917 5.877 -19.859 1.00 0.00 C ATOM 2049 CD1 LEU B 35 1.816 5.936 -18.622 1.00 0.00 C ATOM 2050 CD2 LEU B 35 0.410 7.300 -20.161 1.00 0.00 C ATOM 0 H LEU B 35 2.240 4.765 -23.477 1.00 0.00 H new ATOM 0 HA LEU B 35 0.664 3.433 -21.446 1.00 0.00 H new ATOM 0 HB2 LEU B 35 2.555 4.718 -20.726 1.00 0.00 H new ATOM 0 HB3 LEU B 35 2.093 6.108 -21.687 1.00 0.00 H new ATOM 0 HG LEU B 35 0.069 5.219 -19.671 1.00 0.00 H new ATOM 0 HD11 LEU B 35 1.254 6.345 -17.783 1.00 0.00 H new ATOM 0 HD12 LEU B 35 2.160 4.932 -18.374 1.00 0.00 H new ATOM 0 HD13 LEU B 35 2.676 6.573 -18.827 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -0.131 7.684 -19.297 1.00 0.00 H new ATOM 0 HD22 LEU B 35 1.258 7.950 -20.377 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -0.256 7.274 -21.024 1.00 0.00 H new ATOM 2062 N ILE B 36 -0.636 6.058 -22.954 1.00 0.00 N ATOM 2063 CA ILE B 36 -1.917 6.790 -23.135 1.00 0.00 C ATOM 2064 C ILE B 36 -2.957 5.967 -23.903 1.00 0.00 C ATOM 2065 O ILE B 36 -4.128 5.999 -23.586 1.00 0.00 O ATOM 2066 CB ILE B 36 -1.648 8.098 -23.884 1.00 0.00 C ATOM 2067 CG1 ILE B 36 -0.671 8.953 -23.064 1.00 0.00 C ATOM 2068 CG2 ILE B 36 -2.970 8.858 -24.067 1.00 0.00 C ATOM 2069 CD1 ILE B 36 -0.212 10.159 -23.890 1.00 0.00 C ATOM 0 H ILE B 36 0.144 6.402 -23.514 1.00 0.00 H new ATOM 0 HA ILE B 36 -2.326 6.990 -22.145 1.00 0.00 H new ATOM 0 HB ILE B 36 -1.215 7.885 -24.861 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -1.152 9.292 -22.147 1.00 0.00 H new ATOM 0 HG13 ILE B 36 0.191 8.354 -22.769 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -2.783 9.790 -24.600 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -3.666 8.245 -24.641 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -3.401 9.079 -23.090 1.00 0.00 H new ATOM 0 HD11 ILE B 36 0.481 10.761 -23.302 1.00 0.00 H new ATOM 0 HD12 ILE B 36 0.287 9.812 -24.795 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -1.077 10.764 -24.162 1.00 0.00 H new ATOM 2081 N ASN B 37 -2.574 5.258 -24.929 1.00 0.00 N ATOM 2082 CA ASN B 37 -3.604 4.489 -25.699 1.00 0.00 C ATOM 2083 C ASN B 37 -3.906 3.143 -25.042 1.00 0.00 C ATOM 2084 O ASN B 37 -4.995 2.617 -25.160 1.00 0.00 O ATOM 2085 CB ASN B 37 -3.098 4.245 -27.121 1.00 0.00 C ATOM 2086 CG ASN B 37 -4.124 3.423 -27.901 1.00 0.00 C ATOM 2087 OD1 ASN B 37 -3.906 2.260 -28.179 1.00 0.00 O ATOM 2088 ND2 ASN B 37 -5.242 3.983 -28.273 1.00 0.00 N ATOM 0 H ASN B 37 -1.615 5.175 -25.266 1.00 0.00 H new ATOM 0 HA ASN B 37 -4.521 5.078 -25.714 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -2.923 5.197 -27.623 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -2.143 3.720 -27.092 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -5.932 3.445 -28.797 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -5.426 4.959 -28.040 1.00 0.00 H new ATOM 2095 N ASN B 38 -2.940 2.564 -24.394 1.00 0.00 N ATOM 2096 CA ASN B 38 -3.146 1.211 -23.767 1.00 0.00 C ATOM 2097 C ASN B 38 -3.420 1.285 -22.259 1.00 0.00 C ATOM 2098 O ASN B 38 -4.211 0.521 -21.741 1.00 0.00 O ATOM 2099 CB ASN B 38 -1.903 0.347 -23.999 1.00 0.00 C ATOM 2100 CG ASN B 38 -2.248 -1.121 -23.735 1.00 0.00 C ATOM 2101 OD1 ASN B 38 -1.455 -2.003 -24.000 1.00 0.00 O ATOM 2102 ND2 ASN B 38 -3.407 -1.420 -23.215 1.00 0.00 N ATOM 0 H ASN B 38 -2.010 2.962 -24.265 1.00 0.00 H new ATOM 0 HA ASN B 38 -4.025 0.774 -24.241 1.00 0.00 H new ATOM 0 HB2 ASN B 38 -1.547 0.470 -25.022 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -1.096 0.667 -23.340 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -3.647 -2.394 -23.031 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -4.072 -0.680 -22.993 1.00 0.00 H new ATOM 2109 N GLU B 39 -2.760 2.152 -21.529 1.00 0.00 N ATOM 2110 CA GLU B 39 -2.994 2.187 -20.048 1.00 0.00 C ATOM 2111 C GLU B 39 -4.125 3.161 -19.710 1.00 0.00 C ATOM 2112 O GLU B 39 -4.746 3.054 -18.671 1.00 0.00 O ATOM 2113 CB GLU B 39 -1.709 2.630 -19.330 1.00 0.00 C ATOM 2114 CG GLU B 39 -1.796 2.263 -17.846 1.00 0.00 C ATOM 2115 CD GLU B 39 -0.517 2.706 -17.134 1.00 0.00 C ATOM 2116 OE1 GLU B 39 0.504 2.071 -17.341 1.00 0.00 O ATOM 2117 OE2 GLU B 39 -0.579 3.677 -16.398 1.00 0.00 O ATOM 0 H GLU B 39 -2.082 2.826 -21.884 1.00 0.00 H new ATOM 0 HA GLU B 39 -3.274 1.187 -19.716 1.00 0.00 H new ATOM 0 HB2 GLU B 39 -0.843 2.149 -19.784 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -1.571 3.705 -19.441 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -2.663 2.744 -17.392 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -1.933 1.187 -17.734 1.00 0.00 H new ATOM 2124 N LEU B 40 -4.403 4.103 -20.578 1.00 0.00 N ATOM 2125 CA LEU B 40 -5.503 5.091 -20.314 1.00 0.00 C ATOM 2126 C LEU B 40 -6.613 4.884 -21.348 1.00 0.00 C ATOM 2127 O LEU B 40 -7.085 5.818 -21.965 1.00 0.00 O ATOM 2128 CB LEU B 40 -4.957 6.519 -20.438 1.00 0.00 C ATOM 2129 CG LEU B 40 -3.685 6.679 -19.594 1.00 0.00 C ATOM 2130 CD1 LEU B 40 -3.246 8.148 -19.604 1.00 0.00 C ATOM 2131 CD2 LEU B 40 -3.959 6.243 -18.151 1.00 0.00 C ATOM 0 H LEU B 40 -3.914 4.233 -21.464 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.895 4.942 -19.308 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.739 6.743 -21.482 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -5.712 7.234 -20.110 1.00 0.00 H new ATOM 0 HG LEU B 40 -2.896 6.056 -20.016 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -2.343 8.262 -19.005 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.044 8.460 -20.628 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -4.039 8.768 -19.186 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -3.052 6.359 -17.557 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -4.751 6.861 -17.728 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -4.269 5.198 -18.139 1.00 0.00 H new ATOM 2143 N SER B 41 -7.017 3.660 -21.554 1.00 0.00 N ATOM 2144 CA SER B 41 -8.080 3.375 -22.562 1.00 0.00 C ATOM 2145 C SER B 41 -9.416 4.000 -22.144 1.00 0.00 C ATOM 2146 O SER B 41 -10.141 4.524 -22.966 1.00 0.00 O ATOM 2147 CB SER B 41 -8.252 1.861 -22.688 1.00 0.00 C ATOM 2148 OG SER B 41 -9.196 1.579 -23.712 1.00 0.00 O ATOM 0 H SER B 41 -6.655 2.841 -21.066 1.00 0.00 H new ATOM 0 HA SER B 41 -7.780 3.807 -23.517 1.00 0.00 H new ATOM 0 HB2 SER B 41 -7.295 1.393 -22.920 1.00 0.00 H new ATOM 0 HB3 SER B 41 -8.590 1.442 -21.740 1.00 0.00 H new ATOM 0 HG SER B 41 -9.307 0.609 -23.796 1.00 0.00 H new ATOM 2154 N HIS B 42 -9.758 3.936 -20.879 1.00 0.00 N ATOM 2155 CA HIS B 42 -11.064 4.513 -20.414 1.00 0.00 C ATOM 2156 C HIS B 42 -10.857 5.344 -19.147 1.00 0.00 C ATOM 2157 O HIS B 42 -11.731 6.079 -18.732 1.00 0.00 O ATOM 2158 CB HIS B 42 -12.022 3.364 -20.096 1.00 0.00 C ATOM 2159 CG HIS B 42 -11.388 2.464 -19.071 1.00 0.00 C ATOM 2160 ND1 HIS B 42 -10.383 1.565 -19.399 1.00 0.00 N ATOM 2161 CD2 HIS B 42 -11.596 2.318 -17.721 1.00 0.00 C ATOM 2162 CE1 HIS B 42 -10.028 0.923 -18.270 1.00 0.00 C ATOM 2163 NE2 HIS B 42 -10.736 1.346 -17.222 1.00 0.00 N ATOM 0 H HIS B 42 -9.190 3.509 -20.147 1.00 0.00 H new ATOM 0 HA HIS B 42 -11.472 5.151 -21.198 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -12.967 3.756 -19.719 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -12.248 2.801 -21.002 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -12.316 2.872 -17.137 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -9.265 0.160 -18.219 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -10.662 1.024 -16.257 1.00 0.00 H new ATOM 2172 N PHE B 43 -9.723 5.227 -18.517 1.00 0.00 N ATOM 2173 CA PHE B 43 -9.493 6.006 -17.269 1.00 0.00 C ATOM 2174 C PHE B 43 -9.357 7.495 -17.603 1.00 0.00 C ATOM 2175 O PHE B 43 -9.823 8.344 -16.868 1.00 0.00 O ATOM 2176 CB PHE B 43 -8.226 5.495 -16.566 1.00 0.00 C ATOM 2177 CG PHE B 43 -7.809 6.411 -15.420 1.00 0.00 C ATOM 2178 CD1 PHE B 43 -8.762 7.087 -14.632 1.00 0.00 C ATOM 2179 CD2 PHE B 43 -6.445 6.568 -15.137 1.00 0.00 C ATOM 2180 CE1 PHE B 43 -8.343 7.908 -13.577 1.00 0.00 C ATOM 2181 CE2 PHE B 43 -6.033 7.392 -14.082 1.00 0.00 C ATOM 2182 CZ PHE B 43 -6.981 8.061 -13.303 1.00 0.00 C ATOM 0 H PHE B 43 -8.949 4.630 -18.809 1.00 0.00 H new ATOM 0 HA PHE B 43 -10.343 5.876 -16.599 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -8.403 4.490 -16.183 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -7.413 5.423 -17.288 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -9.815 6.972 -14.841 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -5.709 6.051 -15.735 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -9.075 8.424 -12.973 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -4.981 7.511 -13.870 1.00 0.00 H new ATOM 0 HZ PHE B 43 -6.661 8.696 -12.490 1.00 0.00 H new ATOM 2192 N LEU B 44 -8.716 7.820 -18.703 1.00 0.00 N ATOM 2193 CA LEU B 44 -8.538 9.259 -19.091 1.00 0.00 C ATOM 2194 C LEU B 44 -8.956 9.454 -20.551 1.00 0.00 C ATOM 2195 O LEU B 44 -9.881 8.832 -21.035 1.00 0.00 O ATOM 2196 CB LEU B 44 -7.058 9.648 -18.930 1.00 0.00 C ATOM 2197 CG LEU B 44 -6.923 11.175 -18.738 1.00 0.00 C ATOM 2198 CD1 LEU B 44 -7.052 11.525 -17.251 1.00 0.00 C ATOM 2199 CD2 LEU B 44 -5.553 11.640 -19.251 1.00 0.00 C ATOM 0 H LEU B 44 -8.307 7.148 -19.352 1.00 0.00 H new ATOM 0 HA LEU B 44 -9.157 9.887 -18.450 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -6.629 9.128 -18.074 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -6.495 9.334 -19.809 1.00 0.00 H new ATOM 0 HG LEU B 44 -7.713 11.676 -19.298 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.956 12.603 -17.121 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -8.026 11.201 -16.884 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -6.266 11.021 -16.689 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -5.460 12.717 -19.115 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -4.765 11.134 -18.693 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -5.460 11.399 -20.310 1.00 0.00 H new ATOM 2211 N GLU B 45 -8.275 10.322 -21.253 1.00 0.00 N ATOM 2212 CA GLU B 45 -8.617 10.576 -22.681 1.00 0.00 C ATOM 2213 C GLU B 45 -7.762 9.674 -23.574 1.00 0.00 C ATOM 2214 O GLU B 45 -6.580 9.893 -23.744 1.00 0.00 O ATOM 2215 CB GLU B 45 -8.313 12.044 -23.007 1.00 0.00 C ATOM 2216 CG GLU B 45 -8.659 12.342 -24.469 1.00 0.00 C ATOM 2217 CD GLU B 45 -8.350 13.808 -24.777 1.00 0.00 C ATOM 2218 OE1 GLU B 45 -8.078 14.545 -23.844 1.00 0.00 O ATOM 2219 OE2 GLU B 45 -8.391 14.169 -25.942 1.00 0.00 O ATOM 0 H GLU B 45 -7.492 10.868 -20.894 1.00 0.00 H new ATOM 0 HA GLU B 45 -9.672 10.365 -22.855 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -8.887 12.697 -22.349 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -7.259 12.254 -22.825 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -8.085 11.692 -25.130 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -9.713 12.135 -24.654 1.00 0.00 H new ATOM 2226 N GLU B 46 -8.354 8.672 -24.161 1.00 0.00 N ATOM 2227 CA GLU B 46 -7.577 7.771 -25.058 1.00 0.00 C ATOM 2228 C GLU B 46 -7.157 8.567 -26.295 1.00 0.00 C ATOM 2229 O GLU B 46 -7.959 9.262 -26.884 1.00 0.00 O ATOM 2230 CB GLU B 46 -8.469 6.596 -25.477 1.00 0.00 C ATOM 2231 CG GLU B 46 -7.689 5.640 -26.384 1.00 0.00 C ATOM 2232 CD GLU B 46 -8.595 4.477 -26.791 1.00 0.00 C ATOM 2233 OE1 GLU B 46 -9.671 4.364 -26.226 1.00 0.00 O ATOM 2234 OE2 GLU B 46 -8.198 3.717 -27.658 1.00 0.00 O ATOM 0 H GLU B 46 -9.341 8.438 -24.059 1.00 0.00 H new ATOM 0 HA GLU B 46 -6.694 7.388 -24.547 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -8.822 6.064 -24.593 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -9.351 6.967 -25.999 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -7.336 6.168 -27.270 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -6.808 5.265 -25.864 1.00 0.00 H new ATOM 2241 N ILE B 47 -5.916 8.475 -26.710 1.00 0.00 N ATOM 2242 CA ILE B 47 -5.490 9.237 -27.925 1.00 0.00 C ATOM 2243 C ILE B 47 -5.726 8.370 -29.158 1.00 0.00 C ATOM 2244 O ILE B 47 -5.525 7.172 -29.140 1.00 0.00 O ATOM 2245 CB ILE B 47 -4.019 9.653 -27.813 1.00 0.00 C ATOM 2246 CG1 ILE B 47 -3.912 10.769 -26.766 1.00 0.00 C ATOM 2247 CG2 ILE B 47 -3.524 10.170 -29.171 1.00 0.00 C ATOM 2248 CD1 ILE B 47 -2.446 11.114 -26.508 1.00 0.00 C ATOM 0 H ILE B 47 -5.189 7.913 -26.267 1.00 0.00 H new ATOM 0 HA ILE B 47 -6.079 10.150 -28.012 1.00 0.00 H new ATOM 0 HB ILE B 47 -3.408 8.800 -27.517 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -4.446 11.654 -27.112 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -4.387 10.453 -25.837 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -2.478 10.465 -29.089 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -3.621 9.382 -29.918 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -4.121 11.031 -29.472 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -2.385 11.907 -25.763 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -1.923 10.231 -26.141 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -1.983 11.451 -27.435 1.00 0.00 H new ATOM 2260 N LYS B 48 -6.198 8.974 -30.215 1.00 0.00 N ATOM 2261 CA LYS B 48 -6.514 8.216 -31.461 1.00 0.00 C ATOM 2262 C LYS B 48 -5.520 8.563 -32.573 1.00 0.00 C ATOM 2263 O LYS B 48 -5.310 7.787 -33.484 1.00 0.00 O ATOM 2264 CB LYS B 48 -7.936 8.603 -31.897 1.00 0.00 C ATOM 2265 CG LYS B 48 -8.858 8.720 -30.653 1.00 0.00 C ATOM 2266 CD LYS B 48 -8.944 10.175 -30.170 1.00 0.00 C ATOM 2267 CE LYS B 48 -9.970 10.270 -29.039 1.00 0.00 C ATOM 2268 NZ LYS B 48 -11.343 10.150 -29.605 1.00 0.00 N ATOM 0 H LYS B 48 -6.381 9.976 -30.269 1.00 0.00 H new ATOM 0 HA LYS B 48 -6.444 7.145 -31.271 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -7.915 9.551 -32.435 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -8.331 7.855 -32.584 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -9.855 8.355 -30.899 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -8.476 8.088 -29.851 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -7.968 10.513 -29.821 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -9.232 10.828 -30.994 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -9.796 9.481 -28.308 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -9.863 11.219 -28.515 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -12.035 10.511 -28.917 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -11.406 10.704 -30.483 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -11.548 9.151 -29.811 1.00 0.00 H new ATOM 2282 N GLU B 49 -4.918 9.724 -32.512 1.00 0.00 N ATOM 2283 CA GLU B 49 -3.940 10.137 -33.575 1.00 0.00 C ATOM 2284 C GLU B 49 -2.565 10.372 -32.966 1.00 0.00 C ATOM 2285 O GLU B 49 -2.432 10.858 -31.860 1.00 0.00 O ATOM 2286 CB GLU B 49 -4.401 11.441 -34.226 1.00 0.00 C ATOM 2287 CG GLU B 49 -5.647 11.198 -35.069 1.00 0.00 C ATOM 2288 CD GLU B 49 -5.297 10.328 -36.279 1.00 0.00 C ATOM 2289 OE1 GLU B 49 -4.135 10.302 -36.650 1.00 0.00 O ATOM 2290 OE2 GLU B 49 -6.198 9.703 -36.814 1.00 0.00 O ATOM 0 H GLU B 49 -5.060 10.409 -31.770 1.00 0.00 H new ATOM 0 HA GLU B 49 -3.886 9.340 -34.317 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -4.613 12.184 -33.457 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -3.604 11.846 -34.850 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -6.413 10.709 -34.468 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -6.062 12.149 -35.402 1.00 0.00 H new ATOM 2297 N GLN B 50 -1.538 10.053 -33.698 1.00 0.00 N ATOM 2298 CA GLN B 50 -0.165 10.281 -33.189 1.00 0.00 C ATOM 2299 C GLN B 50 0.074 11.789 -33.119 1.00 0.00 C ATOM 2300 O GLN B 50 0.931 12.254 -32.400 1.00 0.00 O ATOM 2301 CB GLN B 50 0.852 9.650 -34.145 1.00 0.00 C ATOM 2302 CG GLN B 50 0.659 8.132 -34.179 1.00 0.00 C ATOM 2303 CD GLN B 50 1.039 7.526 -32.825 1.00 0.00 C ATOM 2304 OE1 GLN B 50 0.494 6.515 -32.427 1.00 0.00 O ATOM 2305 NE2 GLN B 50 1.963 8.094 -32.099 1.00 0.00 N ATOM 0 H GLN B 50 -1.593 9.643 -34.630 1.00 0.00 H new ATOM 0 HA GLN B 50 -0.051 9.831 -32.203 1.00 0.00 H new ATOM 0 HB2 GLN B 50 0.729 10.064 -35.146 1.00 0.00 H new ATOM 0 HB3 GLN B 50 1.865 9.890 -33.823 1.00 0.00 H new ATOM 0 HG2 GLN B 50 -0.378 7.894 -34.415 1.00 0.00 H new ATOM 0 HG3 GLN B 50 1.273 7.696 -34.967 1.00 0.00 H new ATOM 0 HE21 GLN B 50 2.422 8.942 -32.430 1.00 0.00 H new ATOM 0 HE22 GLN B 50 2.226 7.689 -31.200 1.00 0.00 H new ATOM 2314 N GLU B 51 -0.677 12.557 -33.873 1.00 0.00 N ATOM 2315 CA GLU B 51 -0.486 14.040 -33.853 1.00 0.00 C ATOM 2316 C GLU B 51 -0.792 14.589 -32.462 1.00 0.00 C ATOM 2317 O GLU B 51 -0.114 15.469 -31.983 1.00 0.00 O ATOM 2318 CB GLU B 51 -1.402 14.700 -34.897 1.00 0.00 C ATOM 2319 CG GLU B 51 -2.869 14.674 -34.420 1.00 0.00 C ATOM 2320 CD GLU B 51 -3.197 15.947 -33.625 1.00 0.00 C ATOM 2321 OE1 GLU B 51 -2.271 16.594 -33.164 1.00 0.00 O ATOM 2322 OE2 GLU B 51 -4.371 16.247 -33.486 1.00 0.00 O ATOM 0 H GLU B 51 -1.410 12.222 -34.498 1.00 0.00 H new ATOM 0 HA GLU B 51 0.551 14.268 -34.099 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -1.087 15.729 -35.067 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -1.314 14.178 -35.850 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -3.536 14.592 -35.278 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -3.040 13.795 -33.798 1.00 0.00 H new ATOM 2329 N VAL B 52 -1.805 14.092 -31.810 1.00 0.00 N ATOM 2330 CA VAL B 52 -2.126 14.609 -30.457 1.00 0.00 C ATOM 2331 C VAL B 52 -0.926 14.369 -29.576 1.00 0.00 C ATOM 2332 O VAL B 52 -0.560 15.191 -28.771 1.00 0.00 O ATOM 2333 CB VAL B 52 -3.333 13.872 -29.887 1.00 0.00 C ATOM 2334 CG1 VAL B 52 -3.592 14.336 -28.453 1.00 0.00 C ATOM 2335 CG2 VAL B 52 -4.559 14.158 -30.749 1.00 0.00 C ATOM 0 H VAL B 52 -2.420 13.355 -32.155 1.00 0.00 H new ATOM 0 HA VAL B 52 -2.363 15.672 -30.506 1.00 0.00 H new ATOM 0 HB VAL B 52 -3.134 12.800 -29.886 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -4.455 13.807 -28.050 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -2.717 14.124 -27.838 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -3.789 15.408 -28.447 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -5.422 13.631 -30.341 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -4.758 15.230 -30.755 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -4.375 13.818 -31.768 1.00 0.00 H new ATOM 2345 N VAL B 53 -0.311 13.243 -29.730 1.00 0.00 N ATOM 2346 CA VAL B 53 0.879 12.938 -28.913 1.00 0.00 C ATOM 2347 C VAL B 53 1.957 13.967 -29.203 1.00 0.00 C ATOM 2348 O VAL B 53 2.646 14.399 -28.323 1.00 0.00 O ATOM 2349 CB VAL B 53 1.397 11.559 -29.283 1.00 0.00 C ATOM 2350 CG1 VAL B 53 2.542 11.167 -28.353 1.00 0.00 C ATOM 2351 CG2 VAL B 53 0.269 10.553 -29.160 1.00 0.00 C ATOM 0 H VAL B 53 -0.583 12.516 -30.391 1.00 0.00 H new ATOM 0 HA VAL B 53 0.617 12.963 -27.855 1.00 0.00 H new ATOM 0 HB VAL B 53 1.765 11.573 -30.309 1.00 0.00 H new ATOM 0 HG11 VAL B 53 2.908 10.177 -28.624 1.00 0.00 H new ATOM 0 HG12 VAL B 53 3.351 11.892 -28.446 1.00 0.00 H new ATOM 0 HG13 VAL B 53 2.185 11.152 -27.323 1.00 0.00 H new ATOM 0 HG21 VAL B 53 0.636 9.561 -29.425 1.00 0.00 H new ATOM 0 HG22 VAL B 53 -0.099 10.542 -28.134 1.00 0.00 H new ATOM 0 HG23 VAL B 53 -0.542 10.832 -29.833 1.00 0.00 H new ATOM 2361 N ASP B 54 2.112 14.348 -30.437 1.00 0.00 N ATOM 2362 CA ASP B 54 3.160 15.347 -30.789 1.00 0.00 C ATOM 2363 C ASP B 54 2.883 16.664 -30.072 1.00 0.00 C ATOM 2364 O ASP B 54 3.780 17.338 -29.616 1.00 0.00 O ATOM 2365 CB ASP B 54 3.166 15.580 -32.303 1.00 0.00 C ATOM 2366 CG ASP B 54 4.250 16.601 -32.664 1.00 0.00 C ATOM 2367 OD1 ASP B 54 4.797 17.206 -31.757 1.00 0.00 O ATOM 2368 OD2 ASP B 54 4.513 16.761 -33.845 1.00 0.00 O ATOM 0 H ASP B 54 1.556 14.010 -31.223 1.00 0.00 H new ATOM 0 HA ASP B 54 4.133 14.966 -30.478 1.00 0.00 H new ATOM 0 HB2 ASP B 54 3.349 14.641 -32.825 1.00 0.00 H new ATOM 0 HB3 ASP B 54 2.190 15.940 -32.629 1.00 0.00 H new ATOM 2373 N LYS B 55 1.644 17.034 -29.994 1.00 0.00 N ATOM 2374 CA LYS B 55 1.269 18.313 -29.328 1.00 0.00 C ATOM 2375 C LYS B 55 1.587 18.206 -27.847 1.00 0.00 C ATOM 2376 O LYS B 55 2.076 19.130 -27.223 1.00 0.00 O ATOM 2377 CB LYS B 55 -0.231 18.557 -29.497 1.00 0.00 C ATOM 2378 CG LYS B 55 -0.574 19.965 -29.013 1.00 0.00 C ATOM 2379 CD LYS B 55 -2.076 20.205 -29.167 1.00 0.00 C ATOM 2380 CE LYS B 55 -2.416 21.624 -28.712 1.00 0.00 C ATOM 2381 NZ LYS B 55 -1.756 22.606 -29.619 1.00 0.00 N ATOM 0 H LYS B 55 0.859 16.500 -30.367 1.00 0.00 H new ATOM 0 HA LYS B 55 1.826 19.137 -29.775 1.00 0.00 H new ATOM 0 HB2 LYS B 55 -0.514 18.441 -30.543 1.00 0.00 H new ATOM 0 HB3 LYS B 55 -0.797 17.818 -28.930 1.00 0.00 H new ATOM 0 HG2 LYS B 55 -0.281 20.084 -27.970 1.00 0.00 H new ATOM 0 HG3 LYS B 55 -0.016 20.705 -29.587 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -2.373 20.064 -30.206 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -2.633 19.479 -28.575 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -3.496 21.772 -28.722 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -2.082 21.779 -27.686 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -2.244 23.522 -29.553 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -0.761 22.723 -29.339 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -1.802 22.259 -30.598 1.00 0.00 H new ATOM 2395 N VAL B 56 1.319 17.068 -27.289 1.00 0.00 N ATOM 2396 CA VAL B 56 1.603 16.858 -25.855 1.00 0.00 C ATOM 2397 C VAL B 56 3.113 16.876 -25.677 1.00 0.00 C ATOM 2398 O VAL B 56 3.632 17.320 -24.675 1.00 0.00 O ATOM 2399 CB VAL B 56 1.010 15.509 -25.422 1.00 0.00 C ATOM 2400 CG1 VAL B 56 1.637 15.048 -24.104 1.00 0.00 C ATOM 2401 CG2 VAL B 56 -0.502 15.663 -25.235 1.00 0.00 C ATOM 0 H VAL B 56 0.911 16.267 -27.771 1.00 0.00 H new ATOM 0 HA VAL B 56 1.156 17.638 -25.239 1.00 0.00 H new ATOM 0 HB VAL B 56 1.220 14.766 -26.191 1.00 0.00 H new ATOM 0 HG11 VAL B 56 1.206 14.091 -23.811 1.00 0.00 H new ATOM 0 HG12 VAL B 56 2.714 14.937 -24.233 1.00 0.00 H new ATOM 0 HG13 VAL B 56 1.439 15.788 -23.328 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -0.930 14.709 -24.928 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -0.699 16.413 -24.469 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -0.955 15.977 -26.175 1.00 0.00 H new ATOM 2411 N MET B 57 3.819 16.402 -26.659 1.00 0.00 N ATOM 2412 CA MET B 57 5.300 16.393 -26.569 1.00 0.00 C ATOM 2413 C MET B 57 5.828 17.815 -26.670 1.00 0.00 C ATOM 2414 O MET B 57 6.835 18.142 -26.109 1.00 0.00 O ATOM 2415 CB MET B 57 5.895 15.504 -27.659 1.00 0.00 C ATOM 2416 CG MET B 57 5.576 14.042 -27.328 1.00 0.00 C ATOM 2417 SD MET B 57 6.541 13.510 -25.886 1.00 0.00 S ATOM 2418 CE MET B 57 8.096 13.133 -26.734 1.00 0.00 C ATOM 0 H MET B 57 3.433 16.019 -27.522 1.00 0.00 H new ATOM 0 HA MET B 57 5.599 15.981 -25.605 1.00 0.00 H new ATOM 0 HB2 MET B 57 5.481 15.770 -28.632 1.00 0.00 H new ATOM 0 HB3 MET B 57 6.973 15.651 -27.720 1.00 0.00 H new ATOM 0 HG2 MET B 57 4.511 13.930 -27.125 1.00 0.00 H new ATOM 0 HG3 MET B 57 5.806 13.408 -28.184 1.00 0.00 H new ATOM 0 HE1 MET B 57 8.311 12.068 -26.643 1.00 0.00 H new ATOM 0 HE2 MET B 57 8.009 13.397 -27.788 1.00 0.00 H new ATOM 0 HE3 MET B 57 8.905 13.706 -26.282 1.00 0.00 H new ATOM 2428 N GLU B 58 5.152 18.688 -27.345 1.00 0.00 N ATOM 2429 CA GLU B 58 5.666 20.078 -27.406 1.00 0.00 C ATOM 2430 C GLU B 58 5.752 20.566 -25.962 1.00 0.00 C ATOM 2431 O GLU B 58 6.687 21.231 -25.562 1.00 0.00 O ATOM 2432 CB GLU B 58 4.704 20.954 -28.213 1.00 0.00 C ATOM 2433 CG GLU B 58 5.267 22.372 -28.318 1.00 0.00 C ATOM 2434 CD GLU B 58 4.323 23.235 -29.157 1.00 0.00 C ATOM 2435 OE1 GLU B 58 3.414 22.678 -29.750 1.00 0.00 O ATOM 2436 OE2 GLU B 58 4.525 24.438 -29.193 1.00 0.00 O ATOM 0 H GLU B 58 4.283 18.509 -27.849 1.00 0.00 H new ATOM 0 HA GLU B 58 6.640 20.126 -27.894 1.00 0.00 H new ATOM 0 HB2 GLU B 58 4.562 20.534 -29.209 1.00 0.00 H new ATOM 0 HB3 GLU B 58 3.726 20.975 -27.733 1.00 0.00 H new ATOM 0 HG2 GLU B 58 5.384 22.803 -27.324 1.00 0.00 H new ATOM 0 HG3 GLU B 58 6.257 22.349 -28.773 1.00 0.00 H new ATOM 2443 N THR B 59 4.774 20.209 -25.179 1.00 0.00 N ATOM 2444 CA THR B 59 4.757 20.603 -23.745 1.00 0.00 C ATOM 2445 C THR B 59 5.761 19.766 -22.927 1.00 0.00 C ATOM 2446 O THR B 59 6.468 20.285 -22.087 1.00 0.00 O ATOM 2447 CB THR B 59 3.343 20.363 -23.209 1.00 0.00 C ATOM 2448 OG1 THR B 59 2.419 21.139 -23.960 1.00 0.00 O ATOM 2449 CG2 THR B 59 3.253 20.759 -21.736 1.00 0.00 C ATOM 0 H THR B 59 3.973 19.652 -25.478 1.00 0.00 H new ATOM 0 HA THR B 59 5.041 21.651 -23.654 1.00 0.00 H new ATOM 0 HB THR B 59 3.107 19.303 -23.303 1.00 0.00 H new ATOM 0 HG1 THR B 59 1.512 20.987 -23.621 1.00 0.00 H new ATOM 0 HG21 THR B 59 2.241 20.581 -21.373 1.00 0.00 H new ATOM 0 HG22 THR B 59 3.957 20.163 -21.155 1.00 0.00 H new ATOM 0 HG23 THR B 59 3.497 21.816 -21.628 1.00 0.00 H new ATOM 2457 N LEU B 60 5.805 18.470 -23.140 1.00 0.00 N ATOM 2458 CA LEU B 60 6.732 17.601 -22.345 1.00 0.00 C ATOM 2459 C LEU B 60 8.095 17.494 -23.020 1.00 0.00 C ATOM 2460 O LEU B 60 9.059 17.082 -22.411 1.00 0.00 O ATOM 2461 CB LEU B 60 6.130 16.203 -22.213 1.00 0.00 C ATOM 2462 CG LEU B 60 4.681 16.300 -21.730 1.00 0.00 C ATOM 2463 CD1 LEU B 60 4.104 14.889 -21.604 1.00 0.00 C ATOM 2464 CD2 LEU B 60 4.624 17.006 -20.370 1.00 0.00 C ATOM 0 H LEU B 60 5.238 17.977 -23.830 1.00 0.00 H new ATOM 0 HA LEU B 60 6.864 18.051 -21.361 1.00 0.00 H new ATOM 0 HB2 LEU B 60 6.168 15.690 -23.174 1.00 0.00 H new ATOM 0 HB3 LEU B 60 6.717 15.610 -21.511 1.00 0.00 H new ATOM 0 HG LEU B 60 4.097 16.877 -22.447 1.00 0.00 H new ATOM 0 HD11 LEU B 60 3.071 14.948 -21.260 1.00 0.00 H new ATOM 0 HD12 LEU B 60 4.136 14.395 -22.575 1.00 0.00 H new ATOM 0 HD13 LEU B 60 4.693 14.318 -20.887 1.00 0.00 H new ATOM 0 HD21 LEU B 60 3.588 17.069 -20.036 1.00 0.00 H new ATOM 0 HD22 LEU B 60 5.206 16.441 -19.642 1.00 0.00 H new ATOM 0 HD23 LEU B 60 5.037 18.010 -20.464 1.00 0.00 H new ATOM 2476 N ASP B 61 8.202 17.870 -24.259 1.00 0.00 N ATOM 2477 CA ASP B 61 9.530 17.797 -24.926 1.00 0.00 C ATOM 2478 C ASP B 61 10.286 19.038 -24.494 1.00 0.00 C ATOM 2479 O ASP B 61 10.617 19.905 -25.278 1.00 0.00 O ATOM 2480 CB ASP B 61 9.379 17.765 -26.449 1.00 0.00 C ATOM 2481 CG ASP B 61 10.732 17.473 -27.090 1.00 0.00 C ATOM 2482 OD1 ASP B 61 11.709 17.406 -26.364 1.00 0.00 O ATOM 2483 OD2 ASP B 61 10.769 17.331 -28.301 1.00 0.00 O ATOM 0 H ASP B 61 7.438 18.222 -24.836 1.00 0.00 H new ATOM 0 HA ASP B 61 10.059 16.887 -24.645 1.00 0.00 H new ATOM 0 HB2 ASP B 61 8.656 17.002 -26.737 1.00 0.00 H new ATOM 0 HB3 ASP B 61 8.994 18.720 -26.807 1.00 0.00 H new ATOM 2488 N GLU B 62 10.520 19.127 -23.223 1.00 0.00 N ATOM 2489 CA GLU B 62 11.212 20.307 -22.655 1.00 0.00 C ATOM 2490 C GLU B 62 12.601 20.436 -23.278 1.00 0.00 C ATOM 2491 O GLU B 62 13.051 21.522 -23.587 1.00 0.00 O ATOM 2492 CB GLU B 62 11.322 20.113 -21.144 1.00 0.00 C ATOM 2493 CG GLU B 62 9.932 19.789 -20.578 1.00 0.00 C ATOM 2494 CD GLU B 62 10.001 19.712 -19.051 1.00 0.00 C ATOM 2495 OE1 GLU B 62 11.102 19.717 -18.525 1.00 0.00 O ATOM 2496 OE2 GLU B 62 8.950 19.647 -18.434 1.00 0.00 O ATOM 0 H GLU B 62 10.256 18.418 -22.539 1.00 0.00 H new ATOM 0 HA GLU B 62 10.654 21.218 -22.870 1.00 0.00 H new ATOM 0 HB2 GLU B 62 12.018 19.305 -20.918 1.00 0.00 H new ATOM 0 HB3 GLU B 62 11.718 21.015 -20.677 1.00 0.00 H new ATOM 0 HG2 GLU B 62 9.218 20.555 -20.881 1.00 0.00 H new ATOM 0 HG3 GLU B 62 9.575 18.842 -20.984 1.00 0.00 H new ATOM 2503 N ASP B 63 13.282 19.343 -23.478 1.00 0.00 N ATOM 2504 CA ASP B 63 14.636 19.418 -24.098 1.00 0.00 C ATOM 2505 C ASP B 63 14.490 19.547 -25.619 1.00 0.00 C ATOM 2506 O ASP B 63 15.450 19.785 -26.326 1.00 0.00 O ATOM 2507 CB ASP B 63 15.435 18.160 -23.747 1.00 0.00 C ATOM 2508 CG ASP B 63 14.706 16.921 -24.265 1.00 0.00 C ATOM 2509 OD1 ASP B 63 13.579 17.061 -24.711 1.00 0.00 O ATOM 2510 OD2 ASP B 63 15.289 15.851 -24.205 1.00 0.00 O ATOM 0 H ASP B 63 12.962 18.404 -23.241 1.00 0.00 H new ATOM 0 HA ASP B 63 15.168 20.289 -23.715 1.00 0.00 H new ATOM 0 HB2 ASP B 63 16.431 18.217 -24.186 1.00 0.00 H new ATOM 0 HB3 ASP B 63 15.566 18.091 -22.667 1.00 0.00 H new ATOM 2515 N GLY B 64 13.290 19.420 -26.125 1.00 0.00 N ATOM 2516 CA GLY B 64 13.081 19.567 -27.601 1.00 0.00 C ATOM 2517 C GLY B 64 13.763 18.425 -28.365 1.00 0.00 C ATOM 2518 O GLY B 64 14.299 18.633 -29.435 1.00 0.00 O ATOM 0 H GLY B 64 12.448 19.222 -25.585 1.00 0.00 H new ATOM 0 HA2 GLY B 64 12.014 19.572 -27.823 1.00 0.00 H new ATOM 0 HA3 GLY B 64 13.481 20.524 -27.936 1.00 0.00 H new ATOM 2522 N ASP B 65 13.755 17.223 -27.833 1.00 0.00 N ATOM 2523 CA ASP B 65 14.415 16.073 -28.541 1.00 0.00 C ATOM 2524 C ASP B 65 13.356 15.128 -29.116 1.00 0.00 C ATOM 2525 O ASP B 65 13.674 14.100 -29.680 1.00 0.00 O ATOM 2526 CB ASP B 65 15.289 15.311 -27.546 1.00 0.00 C ATOM 2527 CG ASP B 65 14.414 14.788 -26.413 1.00 0.00 C ATOM 2528 OD1 ASP B 65 13.297 15.261 -26.296 1.00 0.00 O ATOM 2529 OD2 ASP B 65 14.877 13.934 -25.675 1.00 0.00 O ATOM 0 H ASP B 65 13.321 16.988 -26.940 1.00 0.00 H new ATOM 0 HA ASP B 65 15.026 16.457 -29.358 1.00 0.00 H new ATOM 0 HB2 ASP B 65 15.793 14.483 -28.045 1.00 0.00 H new ATOM 0 HB3 ASP B 65 16.066 15.965 -27.150 1.00 0.00 H new ATOM 2534 N GLY B 66 12.103 15.455 -28.969 1.00 0.00 N ATOM 2535 CA GLY B 66 11.032 14.559 -29.499 1.00 0.00 C ATOM 2536 C GLY B 66 10.813 13.417 -28.505 1.00 0.00 C ATOM 2537 O GLY B 66 10.011 12.529 -28.716 1.00 0.00 O ATOM 0 H GLY B 66 11.772 16.302 -28.506 1.00 0.00 H new ATOM 0 HA2 GLY B 66 10.107 15.118 -29.642 1.00 0.00 H new ATOM 0 HA3 GLY B 66 11.318 14.163 -30.473 1.00 0.00 H new ATOM 2541 N GLU B 67 11.529 13.451 -27.416 1.00 0.00 N ATOM 2542 CA GLU B 67 11.406 12.404 -26.365 1.00 0.00 C ATOM 2543 C GLU B 67 11.340 13.111 -25.005 1.00 0.00 C ATOM 2544 O GLU B 67 12.088 14.029 -24.745 1.00 0.00 O ATOM 2545 CB GLU B 67 12.647 11.506 -26.412 1.00 0.00 C ATOM 2546 CG GLU B 67 12.862 10.995 -27.840 1.00 0.00 C ATOM 2547 CD GLU B 67 14.102 10.099 -27.882 1.00 0.00 C ATOM 2548 OE1 GLU B 67 14.820 10.068 -26.896 1.00 0.00 O ATOM 2549 OE2 GLU B 67 14.312 9.459 -28.899 1.00 0.00 O ATOM 0 H GLU B 67 12.211 14.180 -27.206 1.00 0.00 H new ATOM 0 HA GLU B 67 10.514 11.797 -26.522 1.00 0.00 H new ATOM 0 HB2 GLU B 67 13.523 12.063 -26.079 1.00 0.00 H new ATOM 0 HB3 GLU B 67 12.525 10.665 -25.729 1.00 0.00 H new ATOM 0 HG2 GLU B 67 11.987 10.438 -28.174 1.00 0.00 H new ATOM 0 HG3 GLU B 67 12.984 11.835 -28.523 1.00 0.00 H new ATOM 2556 N CYS B 68 10.460 12.697 -24.134 1.00 0.00 N ATOM 2557 CA CYS B 68 10.356 13.358 -22.791 1.00 0.00 C ATOM 2558 C CYS B 68 11.097 12.500 -21.764 1.00 0.00 C ATOM 2559 O CYS B 68 10.838 11.326 -21.615 1.00 0.00 O ATOM 2560 CB CYS B 68 8.873 13.510 -22.415 1.00 0.00 C ATOM 2561 SG CYS B 68 7.934 12.121 -23.096 1.00 0.00 S ATOM 0 H CYS B 68 9.806 11.930 -24.290 1.00 0.00 H new ATOM 0 HA CYS B 68 10.807 14.350 -22.814 1.00 0.00 H new ATOM 0 HB2 CYS B 68 8.763 13.541 -21.331 1.00 0.00 H new ATOM 0 HB3 CYS B 68 8.483 14.451 -22.802 1.00 0.00 H new ATOM 0 HG CYS B 68 7.183 12.541 -24.070 1.00 0.00 H new ATOM 2567 N ASP B 69 12.031 13.080 -21.065 1.00 0.00 N ATOM 2568 CA ASP B 69 12.808 12.303 -20.061 1.00 0.00 C ATOM 2569 C ASP B 69 11.865 11.814 -18.964 1.00 0.00 C ATOM 2570 O ASP B 69 10.783 12.338 -18.788 1.00 0.00 O ATOM 2571 CB ASP B 69 13.886 13.205 -19.453 1.00 0.00 C ATOM 2572 CG ASP B 69 14.880 12.361 -18.652 1.00 0.00 C ATOM 2573 OD1 ASP B 69 14.614 11.187 -18.459 1.00 0.00 O ATOM 2574 OD2 ASP B 69 15.898 12.902 -18.253 1.00 0.00 O ATOM 0 H ASP B 69 12.291 14.063 -21.146 1.00 0.00 H new ATOM 0 HA ASP B 69 13.281 11.445 -20.539 1.00 0.00 H new ATOM 0 HB2 ASP B 69 14.408 13.746 -20.243 1.00 0.00 H new ATOM 0 HB3 ASP B 69 13.425 13.952 -18.806 1.00 0.00 H new ATOM 2579 N PHE B 70 12.260 10.811 -18.223 1.00 0.00 N ATOM 2580 CA PHE B 70 11.388 10.293 -17.147 1.00 0.00 C ATOM 2581 C PHE B 70 10.875 11.470 -16.319 1.00 0.00 C ATOM 2582 O PHE B 70 9.742 11.485 -15.907 1.00 0.00 O ATOM 2583 CB PHE B 70 12.203 9.324 -16.271 1.00 0.00 C ATOM 2584 CG PHE B 70 11.529 9.100 -14.930 1.00 0.00 C ATOM 2585 CD1 PHE B 70 10.145 8.897 -14.858 1.00 0.00 C ATOM 2586 CD2 PHE B 70 12.295 9.095 -13.756 1.00 0.00 C ATOM 2587 CE1 PHE B 70 9.532 8.690 -13.622 1.00 0.00 C ATOM 2588 CE2 PHE B 70 11.679 8.887 -12.521 1.00 0.00 C ATOM 2589 CZ PHE B 70 10.297 8.684 -12.451 1.00 0.00 C ATOM 0 H PHE B 70 13.155 10.332 -18.324 1.00 0.00 H new ATOM 0 HA PHE B 70 10.535 9.758 -17.564 1.00 0.00 H new ATOM 0 HB2 PHE B 70 12.318 8.371 -16.787 1.00 0.00 H new ATOM 0 HB3 PHE B 70 13.205 9.725 -16.115 1.00 0.00 H new ATOM 0 HD1 PHE B 70 9.552 8.901 -15.760 1.00 0.00 H new ATOM 0 HD2 PHE B 70 13.362 9.252 -13.807 1.00 0.00 H new ATOM 0 HE1 PHE B 70 8.465 8.534 -13.569 1.00 0.00 H new ATOM 0 HE2 PHE B 70 12.271 8.883 -11.618 1.00 0.00 H new ATOM 0 HZ PHE B 70 9.821 8.523 -11.495 1.00 0.00 H new ATOM 2599 N GLN B 71 11.702 12.453 -16.083 1.00 0.00 N ATOM 2600 CA GLN B 71 11.261 13.637 -15.288 1.00 0.00 C ATOM 2601 C GLN B 71 10.253 14.470 -16.092 1.00 0.00 C ATOM 2602 O GLN B 71 9.291 14.980 -15.556 1.00 0.00 O ATOM 2603 CB GLN B 71 12.477 14.499 -14.919 1.00 0.00 C ATOM 2604 CG GLN B 71 13.344 14.740 -16.156 1.00 0.00 C ATOM 2605 CD GLN B 71 14.488 15.695 -15.807 1.00 0.00 C ATOM 2606 OE1 GLN B 71 14.880 15.801 -14.663 1.00 0.00 O ATOM 2607 NE2 GLN B 71 15.043 16.397 -16.757 1.00 0.00 N ATOM 0 H GLN B 71 12.668 12.487 -16.408 1.00 0.00 H new ATOM 0 HA GLN B 71 10.779 13.289 -14.374 1.00 0.00 H new ATOM 0 HB2 GLN B 71 12.146 15.452 -14.506 1.00 0.00 H new ATOM 0 HB3 GLN B 71 13.063 14.003 -14.145 1.00 0.00 H new ATOM 0 HG2 GLN B 71 13.745 13.794 -16.520 1.00 0.00 H new ATOM 0 HG3 GLN B 71 12.739 15.160 -16.960 1.00 0.00 H new ATOM 0 HE21 GLN B 71 14.712 16.307 -17.718 1.00 0.00 H new ATOM 0 HE22 GLN B 71 15.807 17.036 -16.539 1.00 0.00 H new ATOM 2616 N GLU B 72 10.467 14.629 -17.368 1.00 0.00 N ATOM 2617 CA GLU B 72 9.519 15.440 -18.181 1.00 0.00 C ATOM 2618 C GLU B 72 8.137 14.783 -18.166 1.00 0.00 C ATOM 2619 O GLU B 72 7.127 15.429 -17.950 1.00 0.00 O ATOM 2620 CB GLU B 72 10.045 15.509 -19.617 1.00 0.00 C ATOM 2621 CG GLU B 72 11.305 16.376 -19.667 1.00 0.00 C ATOM 2622 CD GLU B 72 11.829 16.434 -21.104 1.00 0.00 C ATOM 2623 OE1 GLU B 72 11.338 17.253 -21.861 1.00 0.00 O ATOM 2624 OE2 GLU B 72 12.713 15.656 -21.422 1.00 0.00 O ATOM 0 H GLU B 72 11.255 14.234 -17.882 1.00 0.00 H new ATOM 0 HA GLU B 72 9.436 16.445 -17.767 1.00 0.00 H new ATOM 0 HB2 GLU B 72 10.268 14.506 -19.981 1.00 0.00 H new ATOM 0 HB3 GLU B 72 9.281 15.924 -20.274 1.00 0.00 H new ATOM 0 HG2 GLU B 72 11.082 17.381 -19.309 1.00 0.00 H new ATOM 0 HG3 GLU B 72 12.069 15.965 -19.007 1.00 0.00 H new ATOM 2631 N PHE B 73 8.085 13.499 -18.372 1.00 0.00 N ATOM 2632 CA PHE B 73 6.771 12.799 -18.346 1.00 0.00 C ATOM 2633 C PHE B 73 6.265 12.772 -16.909 1.00 0.00 C ATOM 2634 O PHE B 73 5.081 12.694 -16.649 1.00 0.00 O ATOM 2635 CB PHE B 73 6.922 11.371 -18.876 1.00 0.00 C ATOM 2636 CG PHE B 73 5.632 10.617 -18.650 1.00 0.00 C ATOM 2637 CD1 PHE B 73 4.628 10.639 -19.623 1.00 0.00 C ATOM 2638 CD2 PHE B 73 5.443 9.898 -17.464 1.00 0.00 C ATOM 2639 CE1 PHE B 73 3.432 9.942 -19.409 1.00 0.00 C ATOM 2640 CE2 PHE B 73 4.249 9.201 -17.251 1.00 0.00 C ATOM 2641 CZ PHE B 73 3.243 9.223 -18.223 1.00 0.00 C ATOM 0 H PHE B 73 8.893 12.904 -18.557 1.00 0.00 H new ATOM 0 HA PHE B 73 6.059 13.326 -18.981 1.00 0.00 H new ATOM 0 HB2 PHE B 73 7.165 11.389 -19.938 1.00 0.00 H new ATOM 0 HB3 PHE B 73 7.745 10.867 -18.369 1.00 0.00 H new ATOM 0 HD1 PHE B 73 4.775 11.193 -20.539 1.00 0.00 H new ATOM 0 HD2 PHE B 73 6.219 9.881 -16.713 1.00 0.00 H new ATOM 0 HE1 PHE B 73 2.655 9.959 -20.159 1.00 0.00 H new ATOM 0 HE2 PHE B 73 4.104 8.646 -16.336 1.00 0.00 H new ATOM 0 HZ PHE B 73 2.321 8.685 -18.058 1.00 0.00 H new ATOM 2651 N MET B 74 7.166 12.833 -15.976 1.00 0.00 N ATOM 2652 CA MET B 74 6.769 12.808 -14.550 1.00 0.00 C ATOM 2653 C MET B 74 5.862 14.002 -14.282 1.00 0.00 C ATOM 2654 O MET B 74 4.901 13.922 -13.540 1.00 0.00 O ATOM 2655 CB MET B 74 8.012 12.907 -13.666 1.00 0.00 C ATOM 2656 CG MET B 74 7.642 12.579 -12.231 1.00 0.00 C ATOM 2657 SD MET B 74 7.409 10.795 -12.067 1.00 0.00 S ATOM 2658 CE MET B 74 6.164 10.846 -10.758 1.00 0.00 C ATOM 0 H MET B 74 8.170 12.900 -16.143 1.00 0.00 H new ATOM 0 HA MET B 74 6.247 11.878 -14.325 1.00 0.00 H new ATOM 0 HB2 MET B 74 8.779 12.219 -14.021 1.00 0.00 H new ATOM 0 HB3 MET B 74 8.433 13.911 -13.724 1.00 0.00 H new ATOM 0 HG2 MET B 74 8.426 12.919 -11.554 1.00 0.00 H new ATOM 0 HG3 MET B 74 6.729 13.104 -11.950 1.00 0.00 H new ATOM 0 HE1 MET B 74 6.259 9.960 -10.130 1.00 0.00 H new ATOM 0 HE2 MET B 74 6.311 11.739 -10.150 1.00 0.00 H new ATOM 0 HE3 MET B 74 5.169 10.870 -11.203 1.00 0.00 H new ATOM 2668 N ALA B 75 6.171 15.120 -14.866 1.00 0.00 N ATOM 2669 CA ALA B 75 5.331 16.317 -14.630 1.00 0.00 C ATOM 2670 C ALA B 75 3.963 16.141 -15.298 1.00 0.00 C ATOM 2671 O ALA B 75 2.965 16.652 -14.832 1.00 0.00 O ATOM 2672 CB ALA B 75 6.046 17.558 -15.181 1.00 0.00 C ATOM 0 H ALA B 75 6.964 15.256 -15.493 1.00 0.00 H new ATOM 0 HA ALA B 75 5.173 16.445 -13.559 1.00 0.00 H new ATOM 0 HB1 ALA B 75 5.429 18.440 -15.008 1.00 0.00 H new ATOM 0 HB2 ALA B 75 7.004 17.680 -14.676 1.00 0.00 H new ATOM 0 HB3 ALA B 75 6.213 17.436 -16.251 1.00 0.00 H new ATOM 2678 N PHE B 76 3.903 15.424 -16.380 1.00 0.00 N ATOM 2679 CA PHE B 76 2.590 15.217 -17.064 1.00 0.00 C ATOM 2680 C PHE B 76 1.615 14.527 -16.114 1.00 0.00 C ATOM 2681 O PHE B 76 0.446 14.832 -16.073 1.00 0.00 O ATOM 2682 CB PHE B 76 2.807 14.332 -18.292 1.00 0.00 C ATOM 2683 CG PHE B 76 1.501 14.117 -19.027 1.00 0.00 C ATOM 2684 CD1 PHE B 76 0.948 15.154 -19.790 1.00 0.00 C ATOM 2685 CD2 PHE B 76 0.849 12.878 -18.956 1.00 0.00 C ATOM 2686 CE1 PHE B 76 -0.254 14.952 -20.480 1.00 0.00 C ATOM 2687 CE2 PHE B 76 -0.351 12.677 -19.648 1.00 0.00 C ATOM 2688 CZ PHE B 76 -0.903 13.714 -20.409 1.00 0.00 C ATOM 0 H PHE B 76 4.701 14.971 -16.824 1.00 0.00 H new ATOM 0 HA PHE B 76 2.178 16.181 -17.363 1.00 0.00 H new ATOM 0 HB2 PHE B 76 3.534 14.796 -18.958 1.00 0.00 H new ATOM 0 HB3 PHE B 76 3.222 13.371 -17.987 1.00 0.00 H new ATOM 0 HD1 PHE B 76 1.449 16.109 -19.846 1.00 0.00 H new ATOM 0 HD2 PHE B 76 1.273 12.078 -18.367 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -0.680 15.752 -21.067 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -0.851 11.721 -19.595 1.00 0.00 H new ATOM 0 HZ PHE B 76 -1.830 13.559 -20.941 1.00 0.00 H new ATOM 2698 N VAL B 77 2.099 13.589 -15.370 1.00 0.00 N ATOM 2699 CA VAL B 77 1.231 12.834 -14.419 1.00 0.00 C ATOM 2700 C VAL B 77 0.696 13.780 -13.353 1.00 0.00 C ATOM 2701 O VAL B 77 -0.418 13.650 -12.897 1.00 0.00 O ATOM 2702 CB VAL B 77 2.051 11.704 -13.748 1.00 0.00 C ATOM 2703 CG1 VAL B 77 1.174 10.467 -13.511 1.00 0.00 C ATOM 2704 CG2 VAL B 77 3.227 11.326 -14.648 1.00 0.00 C ATOM 0 H VAL B 77 3.077 13.301 -15.374 1.00 0.00 H new ATOM 0 HA VAL B 77 0.395 12.396 -14.965 1.00 0.00 H new ATOM 0 HB VAL B 77 2.418 12.063 -12.786 1.00 0.00 H new ATOM 0 HG11 VAL B 77 1.768 9.685 -13.039 1.00 0.00 H new ATOM 0 HG12 VAL B 77 0.340 10.731 -12.861 1.00 0.00 H new ATOM 0 HG13 VAL B 77 0.790 10.105 -14.465 1.00 0.00 H new ATOM 0 HG21 VAL B 77 3.805 10.531 -14.177 1.00 0.00 H new ATOM 0 HG22 VAL B 77 2.852 10.980 -15.611 1.00 0.00 H new ATOM 0 HG23 VAL B 77 3.864 12.197 -14.799 1.00 0.00 H new ATOM 2714 N SER B 78 1.495 14.709 -12.929 1.00 0.00 N ATOM 2715 CA SER B 78 1.036 15.638 -11.869 1.00 0.00 C ATOM 2716 C SER B 78 -0.107 16.513 -12.388 1.00 0.00 C ATOM 2717 O SER B 78 -1.072 16.745 -11.695 1.00 0.00 O ATOM 2718 CB SER B 78 2.215 16.515 -11.413 1.00 0.00 C ATOM 2719 OG SER B 78 3.107 16.706 -12.500 1.00 0.00 O ATOM 0 H SER B 78 2.444 14.866 -13.269 1.00 0.00 H new ATOM 0 HA SER B 78 0.668 15.061 -11.021 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.850 17.477 -11.054 1.00 0.00 H new ATOM 0 HB3 SER B 78 2.735 16.041 -10.580 1.00 0.00 H new ATOM 0 HG SER B 78 2.600 16.731 -13.339 1.00 0.00 H new ATOM 2725 N MET B 79 -0.021 17.015 -13.585 1.00 0.00 N ATOM 2726 CA MET B 79 -1.132 17.890 -14.061 1.00 0.00 C ATOM 2727 C MET B 79 -2.405 17.089 -14.308 1.00 0.00 C ATOM 2728 O MET B 79 -3.496 17.536 -14.013 1.00 0.00 O ATOM 2729 CB MET B 79 -0.760 18.568 -15.369 1.00 0.00 C ATOM 2730 CG MET B 79 0.453 19.481 -15.193 1.00 0.00 C ATOM 2731 SD MET B 79 0.440 20.733 -16.504 1.00 0.00 S ATOM 2732 CE MET B 79 0.053 19.641 -17.900 1.00 0.00 C ATOM 0 H MET B 79 0.746 16.866 -14.241 1.00 0.00 H new ATOM 0 HA MET B 79 -1.303 18.630 -13.279 1.00 0.00 H new ATOM 0 HB2 MET B 79 -0.543 17.813 -16.124 1.00 0.00 H new ATOM 0 HB3 MET B 79 -1.607 19.150 -15.734 1.00 0.00 H new ATOM 0 HG2 MET B 79 0.426 19.960 -14.214 1.00 0.00 H new ATOM 0 HG3 MET B 79 1.373 18.898 -15.237 1.00 0.00 H new ATOM 0 HE1 MET B 79 0.275 20.154 -18.836 1.00 0.00 H new ATOM 0 HE2 MET B 79 0.655 18.735 -17.831 1.00 0.00 H new ATOM 0 HE3 MET B 79 -1.004 19.377 -17.873 1.00 0.00 H new ATOM 2742 N VAL B 80 -2.286 15.926 -14.869 1.00 0.00 N ATOM 2743 CA VAL B 80 -3.505 15.125 -15.154 1.00 0.00 C ATOM 2744 C VAL B 80 -4.182 14.751 -13.838 1.00 0.00 C ATOM 2745 O VAL B 80 -5.392 14.708 -13.736 1.00 0.00 O ATOM 2746 CB VAL B 80 -3.142 13.863 -15.933 1.00 0.00 C ATOM 2747 CG1 VAL B 80 -4.432 13.138 -16.303 1.00 0.00 C ATOM 2748 CG2 VAL B 80 -2.381 14.236 -17.214 1.00 0.00 C ATOM 0 H VAL B 80 -1.403 15.494 -15.143 1.00 0.00 H new ATOM 0 HA VAL B 80 -4.190 15.718 -15.760 1.00 0.00 H new ATOM 0 HB VAL B 80 -2.507 13.222 -15.322 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -4.193 12.232 -16.861 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -4.974 12.873 -15.395 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -5.052 13.790 -16.918 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -2.126 13.329 -17.763 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -3.008 14.873 -17.837 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -1.468 14.770 -16.952 1.00 0.00 H new ATOM 2758 N THR B 81 -3.406 14.486 -12.829 1.00 0.00 N ATOM 2759 CA THR B 81 -3.991 14.118 -11.513 1.00 0.00 C ATOM 2760 C THR B 81 -4.858 15.275 -11.042 1.00 0.00 C ATOM 2761 O THR B 81 -5.925 15.096 -10.494 1.00 0.00 O ATOM 2762 CB THR B 81 -2.874 13.899 -10.495 1.00 0.00 C ATOM 2763 OG1 THR B 81 -2.022 12.855 -10.939 1.00 0.00 O ATOM 2764 CG2 THR B 81 -3.481 13.523 -9.139 1.00 0.00 C ATOM 0 H THR B 81 -2.387 14.508 -12.859 1.00 0.00 H new ATOM 0 HA THR B 81 -4.577 13.204 -11.609 1.00 0.00 H new ATOM 0 HB THR B 81 -2.296 14.817 -10.391 1.00 0.00 H new ATOM 0 HG1 THR B 81 -1.315 13.228 -11.506 1.00 0.00 H new ATOM 0 HG21 THR B 81 -2.683 13.367 -8.414 1.00 0.00 H new ATOM 0 HG22 THR B 81 -4.131 14.328 -8.796 1.00 0.00 H new ATOM 0 HG23 THR B 81 -4.062 12.606 -9.242 1.00 0.00 H new ATOM 2772 N THR B 82 -4.394 16.466 -11.256 1.00 0.00 N ATOM 2773 CA THR B 82 -5.166 17.654 -10.834 1.00 0.00 C ATOM 2774 C THR B 82 -6.562 17.567 -11.465 1.00 0.00 C ATOM 2775 O THR B 82 -7.552 17.937 -10.867 1.00 0.00 O ATOM 2776 CB THR B 82 -4.421 18.910 -11.317 1.00 0.00 C ATOM 2777 OG1 THR B 82 -3.026 18.643 -11.327 1.00 0.00 O ATOM 2778 CG2 THR B 82 -4.694 20.082 -10.374 1.00 0.00 C ATOM 0 H THR B 82 -3.503 16.668 -11.710 1.00 0.00 H new ATOM 0 HA THR B 82 -5.270 17.701 -9.750 1.00 0.00 H new ATOM 0 HB THR B 82 -4.767 19.168 -12.318 1.00 0.00 H new ATOM 0 HG1 THR B 82 -2.543 19.438 -11.635 1.00 0.00 H new ATOM 0 HG21 THR B 82 -4.161 20.965 -10.727 1.00 0.00 H new ATOM 0 HG22 THR B 82 -5.764 20.289 -10.351 1.00 0.00 H new ATOM 0 HG23 THR B 82 -4.352 19.829 -9.370 1.00 0.00 H new ATOM 2786 N ALA B 83 -6.643 17.057 -12.664 1.00 0.00 N ATOM 2787 CA ALA B 83 -7.967 16.916 -13.333 1.00 0.00 C ATOM 2788 C ALA B 83 -8.864 16.012 -12.481 1.00 0.00 C ATOM 2789 O ALA B 83 -10.047 16.252 -12.334 1.00 0.00 O ATOM 2790 CB ALA B 83 -7.778 16.299 -14.724 1.00 0.00 C ATOM 0 H ALA B 83 -5.846 16.731 -13.211 1.00 0.00 H new ATOM 0 HA ALA B 83 -8.432 17.896 -13.440 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -8.748 16.197 -15.211 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -7.136 16.944 -15.324 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -7.316 15.317 -14.627 1.00 0.00 H new ATOM 2796 N CYS B 84 -8.309 14.968 -11.924 1.00 0.00 N ATOM 2797 CA CYS B 84 -9.123 14.042 -11.086 1.00 0.00 C ATOM 2798 C CYS B 84 -9.722 14.810 -9.906 1.00 0.00 C ATOM 2799 O CYS B 84 -10.837 14.554 -9.495 1.00 0.00 O ATOM 2800 CB CYS B 84 -8.246 12.904 -10.559 1.00 0.00 C ATOM 2801 SG CYS B 84 -7.775 11.820 -11.930 1.00 0.00 S ATOM 0 H CYS B 84 -7.325 14.717 -12.014 1.00 0.00 H new ATOM 0 HA CYS B 84 -9.924 13.624 -11.695 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -7.355 13.309 -10.079 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -8.785 12.336 -9.801 1.00 0.00 H new ATOM 0 HG CYS B 84 -7.028 10.854 -11.483 1.00 0.00 H new ATOM 2807 N HIS B 85 -9.003 15.752 -9.351 1.00 0.00 N ATOM 2808 CA HIS B 85 -9.564 16.515 -8.201 1.00 0.00 C ATOM 2809 C HIS B 85 -10.842 17.215 -8.650 1.00 0.00 C ATOM 2810 O HIS B 85 -11.820 17.261 -7.931 1.00 0.00 O ATOM 2811 CB HIS B 85 -8.552 17.568 -7.741 1.00 0.00 C ATOM 2812 CG HIS B 85 -9.131 18.359 -6.599 1.00 0.00 C ATOM 2813 ND1 HIS B 85 -9.552 19.675 -6.752 1.00 0.00 N ATOM 2814 CD2 HIS B 85 -9.367 18.041 -5.284 1.00 0.00 C ATOM 2815 CE1 HIS B 85 -10.014 20.094 -5.559 1.00 0.00 C ATOM 2816 NE2 HIS B 85 -9.923 19.138 -4.634 1.00 0.00 N ATOM 0 H HIS B 85 -8.063 16.022 -9.641 1.00 0.00 H new ATOM 0 HA HIS B 85 -9.778 15.833 -7.378 1.00 0.00 H new ATOM 0 HB2 HIS B 85 -7.626 17.085 -7.430 1.00 0.00 H new ATOM 0 HB3 HIS B 85 -8.303 18.233 -8.568 1.00 0.00 H new ATOM 0 HD2 HIS B 85 -9.154 17.087 -4.825 1.00 0.00 H new ATOM 0 HE1 HIS B 85 -10.409 21.082 -5.374 1.00 0.00 H new ATOM 0 HE2 HIS B 85 -10.203 19.198 -3.655 1.00 0.00 H new ATOM 2825 N GLU B 86 -10.851 17.750 -9.837 1.00 0.00 N ATOM 2826 CA GLU B 86 -12.078 18.431 -10.324 1.00 0.00 C ATOM 2827 C GLU B 86 -13.213 17.411 -10.418 1.00 0.00 C ATOM 2828 O GLU B 86 -14.346 17.695 -10.083 1.00 0.00 O ATOM 2829 CB GLU B 86 -11.811 19.035 -11.707 1.00 0.00 C ATOM 2830 CG GLU B 86 -13.063 19.765 -12.204 1.00 0.00 C ATOM 2831 CD GLU B 86 -12.777 20.397 -13.567 1.00 0.00 C ATOM 2832 OE1 GLU B 86 -11.658 20.265 -14.036 1.00 0.00 O ATOM 2833 OE2 GLU B 86 -13.679 21.006 -14.117 1.00 0.00 O ATOM 0 H GLU B 86 -10.065 17.745 -10.488 1.00 0.00 H new ATOM 0 HA GLU B 86 -12.358 19.226 -9.633 1.00 0.00 H new ATOM 0 HB2 GLU B 86 -10.971 19.728 -11.656 1.00 0.00 H new ATOM 0 HB3 GLU B 86 -11.534 18.249 -12.410 1.00 0.00 H new ATOM 0 HG2 GLU B 86 -13.897 19.067 -12.282 1.00 0.00 H new ATOM 0 HG3 GLU B 86 -13.357 20.534 -11.489 1.00 0.00 H new ATOM 2840 N PHE B 87 -12.920 16.223 -10.874 1.00 0.00 N ATOM 2841 CA PHE B 87 -13.989 15.189 -10.989 1.00 0.00 C ATOM 2842 C PHE B 87 -14.298 14.600 -9.612 1.00 0.00 C ATOM 2843 O PHE B 87 -15.443 14.463 -9.227 1.00 0.00 O ATOM 2844 CB PHE B 87 -13.534 14.078 -11.938 1.00 0.00 C ATOM 2845 CG PHE B 87 -13.528 14.602 -13.357 1.00 0.00 C ATOM 2846 CD1 PHE B 87 -14.741 14.873 -14.005 1.00 0.00 C ATOM 2847 CD2 PHE B 87 -12.316 14.820 -14.025 1.00 0.00 C ATOM 2848 CE1 PHE B 87 -14.741 15.360 -15.318 1.00 0.00 C ATOM 2849 CE2 PHE B 87 -12.317 15.307 -15.338 1.00 0.00 C ATOM 2850 CZ PHE B 87 -13.529 15.577 -15.984 1.00 0.00 C ATOM 0 H PHE B 87 -11.991 15.924 -11.171 1.00 0.00 H new ATOM 0 HA PHE B 87 -14.891 15.654 -11.386 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -12.538 13.734 -11.661 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -14.201 13.220 -11.858 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -15.676 14.706 -13.491 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -11.380 14.612 -13.527 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -15.676 15.568 -15.817 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -11.382 15.474 -15.852 1.00 0.00 H new ATOM 0 HZ PHE B 87 -13.529 15.953 -16.996 1.00 0.00 H new ATOM 2860 N PHE B 88 -13.285 14.263 -8.861 1.00 0.00 N ATOM 2861 CA PHE B 88 -13.510 13.696 -7.501 1.00 0.00 C ATOM 2862 C PHE B 88 -13.409 14.831 -6.490 1.00 0.00 C ATOM 2863 O PHE B 88 -12.513 14.873 -5.671 1.00 0.00 O ATOM 2864 CB PHE B 88 -12.447 12.628 -7.204 1.00 0.00 C ATOM 2865 CG PHE B 88 -12.164 11.796 -8.442 1.00 0.00 C ATOM 2866 CD1 PHE B 88 -13.155 11.579 -9.420 1.00 0.00 C ATOM 2867 CD2 PHE B 88 -10.892 11.233 -8.608 1.00 0.00 C ATOM 2868 CE1 PHE B 88 -12.863 10.804 -10.549 1.00 0.00 C ATOM 2869 CE2 PHE B 88 -10.606 10.459 -9.738 1.00 0.00 C ATOM 2870 CZ PHE B 88 -11.590 10.244 -10.708 1.00 0.00 C ATOM 0 H PHE B 88 -12.306 14.357 -9.133 1.00 0.00 H new ATOM 0 HA PHE B 88 -14.494 13.231 -7.441 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -11.529 13.106 -6.863 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -12.789 11.982 -6.396 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -14.138 12.010 -9.299 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -10.129 11.397 -7.861 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -13.622 10.638 -11.299 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -9.624 10.027 -9.861 1.00 0.00 H new ATOM 0 HZ PHE B 88 -11.368 9.646 -11.580 1.00 0.00 H new ATOM 3114 N ARG X 104 21.259 21.185 2.899 1.00 0.00 N ATOM 3115 CA ARG X 104 20.445 19.986 2.568 1.00 0.00 C ATOM 3116 C ARG X 104 19.413 20.351 1.491 1.00 0.00 C ATOM 3117 O ARG X 104 19.158 19.585 0.576 1.00 0.00 O ATOM 3118 CB ARG X 104 19.737 19.509 3.836 1.00 0.00 C ATOM 3119 CG ARG X 104 20.776 18.926 4.792 1.00 0.00 C ATOM 3120 CD ARG X 104 20.131 18.655 6.150 1.00 0.00 C ATOM 3121 NE ARG X 104 21.166 18.130 7.102 1.00 0.00 N ATOM 3122 CZ ARG X 104 21.832 17.034 6.856 1.00 0.00 C ATOM 3123 NH1 ARG X 104 21.481 16.252 5.872 1.00 0.00 N ATOM 3124 NH2 ARG X 104 22.826 16.693 7.630 1.00 0.00 N ATOM 0 HA ARG X 104 21.084 19.190 2.186 1.00 0.00 H new ATOM 0 HB2 ARG X 104 19.212 20.339 4.310 1.00 0.00 H new ATOM 0 HB3 ARG X 104 18.988 18.757 3.589 1.00 0.00 H new ATOM 0 HG2 ARG X 104 21.184 18.002 4.382 1.00 0.00 H new ATOM 0 HG3 ARG X 104 21.609 19.620 4.906 1.00 0.00 H new ATOM 0 HD2 ARG X 104 19.691 19.571 6.544 1.00 0.00 H new ATOM 0 HD3 ARG X 104 19.322 17.933 6.042 1.00 0.00 H new ATOM 0 HE ARG X 104 21.354 18.643 7.964 1.00 0.00 H new ATOM 0 HH11 ARG X 104 20.681 16.495 5.288 1.00 0.00 H new ATOM 0 HH12 ARG X 104 22.007 15.398 5.687 1.00 0.00 H new ATOM 0 HH21 ARG X 104 23.080 17.282 8.423 1.00 0.00 H new ATOM 0 HH22 ARG X 104 23.349 15.838 7.442 1.00 0.00 H new ATOM 3138 N HIS X 105 18.818 21.512 1.577 1.00 0.00 N ATOM 3139 CA HIS X 105 17.816 21.895 0.544 1.00 0.00 C ATOM 3140 C HIS X 105 18.495 21.890 -0.825 1.00 0.00 C ATOM 3141 O HIS X 105 17.894 21.547 -1.820 1.00 0.00 O ATOM 3142 CB HIS X 105 17.240 23.289 0.839 1.00 0.00 C ATOM 3143 CG HIS X 105 18.269 24.358 0.579 1.00 0.00 C ATOM 3144 ND1 HIS X 105 18.785 25.152 1.595 1.00 0.00 N ATOM 3145 CD2 HIS X 105 18.876 24.789 -0.576 1.00 0.00 C ATOM 3146 CE1 HIS X 105 19.659 26.010 1.036 1.00 0.00 C ATOM 3147 NE2 HIS X 105 19.750 25.829 -0.282 1.00 0.00 N ATOM 0 H HIS X 105 18.981 22.203 2.309 1.00 0.00 H new ATOM 0 HA HIS X 105 16.994 21.179 0.555 1.00 0.00 H new ATOM 0 HB2 HIS X 105 16.362 23.464 0.217 1.00 0.00 H new ATOM 0 HB3 HIS X 105 16.911 23.339 1.877 1.00 0.00 H new ATOM 0 HD2 HIS X 105 18.701 24.382 -1.561 1.00 0.00 H new ATOM 0 HE1 HIS X 105 20.217 26.753 1.587 1.00 0.00 H new ATOM 0 HE2 HIS X 105 20.338 26.345 -0.937 1.00 0.00 H new ATOM 3156 N LYS X 106 19.750 22.247 -0.882 1.00 0.00 N ATOM 3157 CA LYS X 106 20.454 22.243 -2.193 1.00 0.00 C ATOM 3158 C LYS X 106 20.418 20.825 -2.753 1.00 0.00 C ATOM 3159 O LYS X 106 20.332 20.615 -3.949 1.00 0.00 O ATOM 3160 CB LYS X 106 21.907 22.687 -2.021 1.00 0.00 C ATOM 3161 CG LYS X 106 22.572 22.734 -3.397 1.00 0.00 C ATOM 3162 CD LYS X 106 23.999 23.266 -3.270 1.00 0.00 C ATOM 3163 CE LYS X 106 24.670 23.259 -4.647 1.00 0.00 C ATOM 3164 NZ LYS X 106 25.190 21.892 -4.937 1.00 0.00 N ATOM 0 H LYS X 106 20.313 22.539 -0.083 1.00 0.00 H new ATOM 0 HA LYS X 106 19.960 22.936 -2.874 1.00 0.00 H new ATOM 0 HB2 LYS X 106 21.949 23.668 -1.548 1.00 0.00 H new ATOM 0 HB3 LYS X 106 22.439 21.995 -1.368 1.00 0.00 H new ATOM 0 HG2 LYS X 106 22.585 21.737 -3.838 1.00 0.00 H new ATOM 0 HG3 LYS X 106 21.996 23.372 -4.067 1.00 0.00 H new ATOM 0 HD2 LYS X 106 23.987 24.278 -2.865 1.00 0.00 H new ATOM 0 HD3 LYS X 106 24.568 22.650 -2.573 1.00 0.00 H new ATOM 0 HE2 LYS X 106 23.955 23.559 -5.414 1.00 0.00 H new ATOM 0 HE3 LYS X 106 25.485 23.983 -4.671 1.00 0.00 H new ATOM 0 HZ1 LYS X 106 25.646 21.885 -5.872 1.00 0.00 H new ATOM 0 HZ2 LYS X 106 25.884 21.623 -4.211 1.00 0.00 H new ATOM 0 HZ3 LYS X 106 24.403 21.213 -4.931 1.00 0.00 H new ATOM 3178 N LYS X 107 20.462 19.841 -1.903 1.00 0.00 N ATOM 3179 CA LYS X 107 20.407 18.449 -2.409 1.00 0.00 C ATOM 3180 C LYS X 107 19.136 18.318 -3.244 1.00 0.00 C ATOM 3181 O LYS X 107 19.127 17.680 -4.271 1.00 0.00 O ATOM 3182 CB LYS X 107 20.370 17.464 -1.237 1.00 0.00 C ATOM 3183 CG LYS X 107 20.398 16.033 -1.778 1.00 0.00 C ATOM 3184 CD LYS X 107 20.361 15.041 -0.614 1.00 0.00 C ATOM 3185 CE LYS X 107 20.451 13.617 -1.162 1.00 0.00 C ATOM 3186 NZ LYS X 107 21.739 13.449 -1.892 1.00 0.00 N ATOM 0 H LYS X 107 20.533 19.940 -0.890 1.00 0.00 H new ATOM 0 HA LYS X 107 21.288 18.223 -3.010 1.00 0.00 H new ATOM 0 HB2 LYS X 107 21.222 17.633 -0.578 1.00 0.00 H new ATOM 0 HB3 LYS X 107 19.471 17.623 -0.642 1.00 0.00 H new ATOM 0 HG2 LYS X 107 19.546 15.867 -2.438 1.00 0.00 H new ATOM 0 HG3 LYS X 107 21.298 15.877 -2.373 1.00 0.00 H new ATOM 0 HD2 LYS X 107 21.188 15.233 0.069 1.00 0.00 H new ATOM 0 HD3 LYS X 107 19.441 15.166 -0.043 1.00 0.00 H new ATOM 0 HE2 LYS X 107 20.386 12.897 -0.346 1.00 0.00 H new ATOM 0 HE3 LYS X 107 19.613 13.419 -1.830 1.00 0.00 H new ATOM 0 HZ1 LYS X 107 21.990 12.440 -1.925 1.00 0.00 H new ATOM 0 HZ2 LYS X 107 21.639 13.813 -2.861 1.00 0.00 H new ATOM 0 HZ3 LYS X 107 22.488 13.976 -1.400 1.00 0.00 H new ATOM 3200 N LEU X 108 18.069 18.938 -2.805 1.00 0.00 N ATOM 3201 CA LEU X 108 16.781 18.886 -3.570 1.00 0.00 C ATOM 3202 C LEU X 108 16.867 19.770 -4.833 1.00 0.00 C ATOM 3203 O LEU X 108 16.161 19.558 -5.809 1.00 0.00 O ATOM 3204 CB LEU X 108 15.639 19.365 -2.669 1.00 0.00 C ATOM 3205 CG LEU X 108 14.304 19.353 -3.428 1.00 0.00 C ATOM 3206 CD1 LEU X 108 13.977 17.930 -3.909 1.00 0.00 C ATOM 3207 CD2 LEU X 108 13.196 19.842 -2.485 1.00 0.00 C ATOM 0 H LEU X 108 18.033 19.482 -1.943 1.00 0.00 H new ATOM 0 HA LEU X 108 16.592 17.859 -3.883 1.00 0.00 H new ATOM 0 HB2 LEU X 108 15.569 18.723 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU X 108 15.850 20.373 -2.311 1.00 0.00 H new ATOM 0 HG LEU X 108 14.375 20.007 -4.297 1.00 0.00 H new ATOM 0 HD11 LEU X 108 13.028 17.936 -4.445 1.00 0.00 H new ATOM 0 HD12 LEU X 108 14.767 17.580 -4.573 1.00 0.00 H new ATOM 0 HD13 LEU X 108 13.904 17.263 -3.050 1.00 0.00 H new ATOM 0 HD21 LEU X 108 12.242 19.838 -3.012 1.00 0.00 H new ATOM 0 HD22 LEU X 108 13.136 19.181 -1.621 1.00 0.00 H new ATOM 0 HD23 LEU X 108 13.423 20.855 -2.152 1.00 0.00 H new ATOM 3219 N MET X 109 17.713 20.761 -4.840 1.00 0.00 N ATOM 3220 CA MET X 109 17.804 21.626 -6.049 1.00 0.00 C ATOM 3221 C MET X 109 18.196 20.776 -7.264 1.00 0.00 C ATOM 3222 O MET X 109 17.913 21.139 -8.387 1.00 0.00 O ATOM 3223 CB MET X 109 18.825 22.759 -5.830 1.00 0.00 C ATOM 3224 CG MET X 109 18.156 23.927 -5.091 1.00 0.00 C ATOM 3225 SD MET X 109 17.181 23.291 -3.700 1.00 0.00 S ATOM 3226 CE MET X 109 15.631 24.169 -4.030 1.00 0.00 C ATOM 0 H MET X 109 18.338 21.008 -4.072 1.00 0.00 H new ATOM 0 HA MET X 109 16.830 22.080 -6.233 1.00 0.00 H new ATOM 0 HB2 MET X 109 19.673 22.390 -5.253 1.00 0.00 H new ATOM 0 HB3 MET X 109 19.215 23.099 -6.789 1.00 0.00 H new ATOM 0 HG2 MET X 109 18.913 24.623 -4.729 1.00 0.00 H new ATOM 0 HG3 MET X 109 17.514 24.482 -5.774 1.00 0.00 H new ATOM 0 HE1 MET X 109 14.895 23.905 -3.271 1.00 0.00 H new ATOM 0 HE2 MET X 109 15.809 25.244 -4.005 1.00 0.00 H new ATOM 0 HE3 MET X 109 15.255 23.887 -5.013 1.00 0.00 H new ATOM 3236 N PHE X 110 18.849 19.654 -7.072 1.00 0.00 N ATOM 3237 CA PHE X 110 19.235 18.834 -8.259 1.00 0.00 C ATOM 3238 C PHE X 110 18.017 18.659 -9.176 1.00 0.00 C ATOM 3239 O PHE X 110 18.153 18.616 -10.382 1.00 0.00 O ATOM 3240 CB PHE X 110 19.846 17.484 -7.830 1.00 0.00 C ATOM 3241 CG PHE X 110 18.798 16.461 -7.416 1.00 0.00 C ATOM 3242 CD1 PHE X 110 17.818 16.788 -6.476 1.00 0.00 C ATOM 3243 CD2 PHE X 110 18.841 15.162 -7.947 1.00 0.00 C ATOM 3244 CE1 PHE X 110 16.884 15.833 -6.069 1.00 0.00 C ATOM 3245 CE2 PHE X 110 17.906 14.205 -7.536 1.00 0.00 C ATOM 3246 CZ PHE X 110 16.927 14.544 -6.596 1.00 0.00 C ATOM 0 H PHE X 110 19.125 19.279 -6.165 1.00 0.00 H new ATOM 0 HA PHE X 110 20.011 19.354 -8.821 1.00 0.00 H new ATOM 0 HB2 PHE X 110 20.435 17.080 -8.654 1.00 0.00 H new ATOM 0 HB3 PHE X 110 20.532 17.650 -6.999 1.00 0.00 H new ATOM 0 HD1 PHE X 110 17.782 17.785 -6.062 1.00 0.00 H new ATOM 0 HD2 PHE X 110 19.596 14.901 -8.673 1.00 0.00 H new ATOM 0 HE1 PHE X 110 16.127 16.094 -5.344 1.00 0.00 H new ATOM 0 HE2 PHE X 110 17.940 13.206 -7.944 1.00 0.00 H new ATOM 0 HZ PHE X 110 16.205 13.807 -6.279 1.00 0.00 H new ATOM 3256 N LYS X 111 16.822 18.621 -8.637 1.00 0.00 N ATOM 3257 CA LYS X 111 15.634 18.524 -9.537 1.00 0.00 C ATOM 3258 C LYS X 111 15.493 19.847 -10.281 1.00 0.00 C ATOM 3259 O LYS X 111 15.170 19.885 -11.451 1.00 0.00 O ATOM 3260 CB LYS X 111 14.337 18.301 -8.753 1.00 0.00 C ATOM 3261 CG LYS X 111 14.266 16.883 -8.187 1.00 0.00 C ATOM 3262 CD LYS X 111 14.268 15.837 -9.337 1.00 0.00 C ATOM 3263 CE LYS X 111 15.669 15.210 -9.539 1.00 0.00 C ATOM 3264 NZ LYS X 111 15.672 13.840 -8.951 1.00 0.00 N ATOM 0 H LYS X 111 16.622 18.652 -7.637 1.00 0.00 H new ATOM 0 HA LYS X 111 15.788 17.680 -10.209 1.00 0.00 H new ATOM 0 HB2 LYS X 111 14.273 19.023 -7.939 1.00 0.00 H new ATOM 0 HB3 LYS X 111 13.481 18.478 -9.404 1.00 0.00 H new ATOM 0 HG2 LYS X 111 15.114 16.706 -7.525 1.00 0.00 H new ATOM 0 HG3 LYS X 111 13.364 16.770 -7.586 1.00 0.00 H new ATOM 0 HD2 LYS X 111 13.546 15.051 -9.115 1.00 0.00 H new ATOM 0 HD3 LYS X 111 13.946 16.314 -10.263 1.00 0.00 H new ATOM 0 HE2 LYS X 111 15.913 15.166 -10.600 1.00 0.00 H new ATOM 0 HE3 LYS X 111 16.431 15.827 -9.062 1.00 0.00 H new ATOM 0 HZ1 LYS X 111 16.497 13.732 -8.326 1.00 0.00 H new ATOM 0 HZ2 LYS X 111 14.801 13.696 -8.402 1.00 0.00 H new ATOM 0 HZ3 LYS X 111 15.721 13.135 -9.714 1.00 0.00 H new ATOM 3278 N THR X 112 15.719 20.940 -9.604 1.00 0.00 N ATOM 3279 CA THR X 112 15.585 22.257 -10.290 1.00 0.00 C ATOM 3280 C THR X 112 16.574 22.308 -11.456 1.00 0.00 C ATOM 3281 O THR X 112 16.311 22.900 -12.484 1.00 0.00 O ATOM 3282 CB THR X 112 15.866 23.401 -9.310 1.00 0.00 C ATOM 3283 OG1 THR X 112 17.206 23.321 -8.849 1.00 0.00 O ATOM 3284 CG2 THR X 112 14.904 23.303 -8.124 1.00 0.00 C ATOM 0 H THR X 112 15.987 20.979 -8.621 1.00 0.00 H new ATOM 0 HA THR X 112 14.567 22.371 -10.663 1.00 0.00 H new ATOM 0 HB THR X 112 15.721 24.355 -9.817 1.00 0.00 H new ATOM 0 HG1 THR X 112 17.494 22.384 -8.842 1.00 0.00 H new ATOM 0 HG21 THR X 112 15.103 24.116 -7.426 1.00 0.00 H new ATOM 0 HG22 THR X 112 13.877 23.375 -8.482 1.00 0.00 H new ATOM 0 HG23 THR X 112 15.046 22.348 -7.618 1.00 0.00 H new ATOM 3292 N GLU X 113 17.711 21.682 -11.305 1.00 0.00 N ATOM 3293 CA GLU X 113 18.720 21.682 -12.403 1.00 0.00 C ATOM 3294 CB GLU X 113 18.200 20.851 -13.582 1.00 0.00 C ATOM 3295 CG GLU X 113 18.002 19.397 -13.143 1.00 0.00 C ATOM 3296 CD GLU X 113 17.635 18.542 -14.358 1.00 0.00 C ATOM 3297 OE1 GLU X 113 16.468 18.520 -14.713 1.00 0.00 O ATOM 3298 OE2 GLU X 113 18.529 17.924 -14.914 1.00 0.00 O ATOM 0 H GLU X 113 17.984 21.170 -10.466 1.00 0.00 H new ATOM 0 HB2 GLU X 113 17.258 21.264 -13.942 1.00 0.00 H new ATOM 0 HB3 GLU X 113 18.906 20.897 -14.411 1.00 0.00 H new ATOM 0 HG2 GLU X 113 18.914 19.018 -12.681 1.00 0.00 H new ATOM 0 HG3 GLU X 113 17.215 19.337 -12.392 1.00 0.00 H new ATOM 3493 N ARG Y 104 -10.828 16.927 -28.268 1.00 0.00 N ATOM 3494 CA ARG Y 104 -10.779 16.353 -26.897 1.00 0.00 C ATOM 3495 C ARG Y 104 -9.427 16.677 -26.250 1.00 0.00 C ATOM 3496 O ARG Y 104 -9.350 16.998 -25.076 1.00 0.00 O ATOM 3497 CB ARG Y 104 -10.970 14.837 -26.992 1.00 0.00 C ATOM 3498 CG ARG Y 104 -12.415 14.548 -27.400 1.00 0.00 C ATOM 3499 CD ARG Y 104 -12.571 13.063 -27.720 1.00 0.00 C ATOM 3500 NE ARG Y 104 -13.976 12.792 -28.177 1.00 0.00 N ATOM 3501 CZ ARG Y 104 -15.008 13.050 -27.418 1.00 0.00 C ATOM 3502 NH1 ARG Y 104 -14.846 13.373 -26.165 1.00 0.00 N ATOM 3503 NH2 ARG Y 104 -16.213 12.938 -27.906 1.00 0.00 N ATOM 0 HA ARG Y 104 -11.570 16.783 -26.283 1.00 0.00 H new ATOM 0 HB2 ARG Y 104 -10.280 14.415 -27.722 1.00 0.00 H new ATOM 0 HB3 ARG Y 104 -10.747 14.368 -26.034 1.00 0.00 H new ATOM 0 HG2 ARG Y 104 -13.094 14.830 -26.595 1.00 0.00 H new ATOM 0 HG3 ARG Y 104 -12.685 15.148 -28.269 1.00 0.00 H new ATOM 0 HD2 ARG Y 104 -11.863 12.771 -28.495 1.00 0.00 H new ATOM 0 HD3 ARG Y 104 -12.343 12.464 -26.838 1.00 0.00 H new ATOM 0 HE ARG Y 104 -14.129 12.396 -29.105 1.00 0.00 H new ATOM 0 HH11 ARG Y 104 -13.907 13.426 -25.769 1.00 0.00 H new ATOM 0 HH12 ARG Y 104 -15.658 13.573 -25.581 1.00 0.00 H new ATOM 0 HH21 ARG Y 104 -16.346 12.650 -28.876 1.00 0.00 H new ATOM 0 HH22 ARG Y 104 -17.022 13.138 -27.318 1.00 0.00 H new ATOM 3517 N HIS Y 105 -8.357 16.607 -26.995 1.00 0.00 N ATOM 3518 CA HIS Y 105 -7.032 16.921 -26.395 1.00 0.00 C ATOM 3519 C HIS Y 105 -7.059 18.355 -25.866 1.00 0.00 C ATOM 3520 O HIS Y 105 -6.456 18.662 -24.860 1.00 0.00 O ATOM 3521 CB HIS Y 105 -5.917 16.767 -27.441 1.00 0.00 C ATOM 3522 CG HIS Y 105 -5.987 17.874 -28.462 1.00 0.00 C ATOM 3523 ND1 HIS Y 105 -6.283 17.631 -29.796 1.00 0.00 N ATOM 3524 CD2 HIS Y 105 -5.787 19.230 -28.364 1.00 0.00 C ATOM 3525 CE1 HIS Y 105 -6.252 18.813 -30.441 1.00 0.00 C ATOM 3526 NE2 HIS Y 105 -5.955 19.815 -29.613 1.00 0.00 N ATOM 0 H HIS Y 105 -8.343 16.349 -27.982 1.00 0.00 H new ATOM 0 HA HIS Y 105 -6.830 16.228 -25.579 1.00 0.00 H new ATOM 0 HB2 HIS Y 105 -4.945 16.781 -26.948 1.00 0.00 H new ATOM 0 HB3 HIS Y 105 -6.009 15.801 -27.938 1.00 0.00 H new ATOM 0 HD2 HIS Y 105 -5.538 19.759 -27.456 1.00 0.00 H new ATOM 0 HE1 HIS Y 105 -6.444 18.934 -31.497 1.00 0.00 H new ATOM 0 HE2 HIS Y 105 -5.869 20.804 -29.847 1.00 0.00 H new ATOM 3535 N LYS Y 106 -7.771 19.232 -26.520 1.00 0.00 N ATOM 3536 CA LYS Y 106 -7.838 20.636 -26.033 1.00 0.00 C ATOM 3537 C LYS Y 106 -8.419 20.629 -24.623 1.00 0.00 C ATOM 3538 O LYS Y 106 -8.057 21.430 -23.781 1.00 0.00 O ATOM 3539 CB LYS Y 106 -8.726 21.477 -26.948 1.00 0.00 C ATOM 3540 CG LYS Y 106 -8.714 22.922 -26.450 1.00 0.00 C ATOM 3541 CD LYS Y 106 -9.517 23.811 -27.398 1.00 0.00 C ATOM 3542 CE LYS Y 106 -9.534 25.243 -26.856 1.00 0.00 C ATOM 3543 NZ LYS Y 106 -10.595 25.362 -25.816 1.00 0.00 N ATOM 0 H LYS Y 106 -8.306 19.037 -27.366 1.00 0.00 H new ATOM 0 HA LYS Y 106 -6.838 21.070 -26.031 1.00 0.00 H new ATOM 0 HB2 LYS Y 106 -8.364 21.428 -27.975 1.00 0.00 H new ATOM 0 HB3 LYS Y 106 -9.744 21.086 -26.950 1.00 0.00 H new ATOM 0 HG2 LYS Y 106 -9.136 22.972 -25.446 1.00 0.00 H new ATOM 0 HG3 LYS Y 106 -7.688 23.283 -26.382 1.00 0.00 H new ATOM 0 HD2 LYS Y 106 -9.075 23.792 -28.394 1.00 0.00 H new ATOM 0 HD3 LYS Y 106 -10.535 23.434 -27.494 1.00 0.00 H new ATOM 0 HE2 LYS Y 106 -8.562 25.495 -26.431 1.00 0.00 H new ATOM 0 HE3 LYS Y 106 -9.721 25.949 -27.666 1.00 0.00 H new ATOM 0 HZ1 LYS Y 106 -10.610 26.333 -25.445 1.00 0.00 H new ATOM 0 HZ2 LYS Y 106 -11.520 25.137 -26.236 1.00 0.00 H new ATOM 0 HZ3 LYS Y 106 -10.397 24.698 -25.040 1.00 0.00 H new ATOM 3557 N LYS Y 107 -9.305 19.720 -24.343 1.00 0.00 N ATOM 3558 CA LYS Y 107 -9.878 19.668 -22.977 1.00 0.00 C ATOM 3559 C LYS Y 107 -8.712 19.527 -22.001 1.00 0.00 C ATOM 3560 O LYS Y 107 -8.706 20.116 -20.945 1.00 0.00 O ATOM 3561 CB LYS Y 107 -10.820 18.468 -22.846 1.00 0.00 C ATOM 3562 CG LYS Y 107 -11.455 18.473 -21.455 1.00 0.00 C ATOM 3563 CD LYS Y 107 -12.419 17.293 -21.322 1.00 0.00 C ATOM 3564 CE LYS Y 107 -13.097 17.349 -19.953 1.00 0.00 C ATOM 3565 NZ LYS Y 107 -13.894 18.604 -19.852 1.00 0.00 N ATOM 0 H LYS Y 107 -9.654 19.017 -24.995 1.00 0.00 H new ATOM 0 HA LYS Y 107 -10.452 20.570 -22.766 1.00 0.00 H new ATOM 0 HB2 LYS Y 107 -11.594 18.514 -23.612 1.00 0.00 H new ATOM 0 HB3 LYS Y 107 -10.270 17.540 -23.004 1.00 0.00 H new ATOM 0 HG2 LYS Y 107 -10.680 18.409 -20.691 1.00 0.00 H new ATOM 0 HG3 LYS Y 107 -11.988 19.410 -21.292 1.00 0.00 H new ATOM 0 HD2 LYS Y 107 -13.168 17.329 -22.113 1.00 0.00 H new ATOM 0 HD3 LYS Y 107 -11.879 16.353 -21.436 1.00 0.00 H new ATOM 0 HE2 LYS Y 107 -13.743 16.482 -19.818 1.00 0.00 H new ATOM 0 HE3 LYS Y 107 -12.348 17.315 -19.161 1.00 0.00 H new ATOM 0 HZ1 LYS Y 107 -14.608 18.503 -19.102 1.00 0.00 H new ATOM 0 HZ2 LYS Y 107 -13.263 19.399 -19.624 1.00 0.00 H new ATOM 0 HZ3 LYS Y 107 -14.368 18.788 -20.759 1.00 0.00 H new ATOM 3579 N LEU Y 108 -7.721 18.754 -22.370 1.00 0.00 N ATOM 3580 CA LEU Y 108 -6.521 18.570 -21.491 1.00 0.00 C ATOM 3581 C LEU Y 108 -5.639 19.836 -21.508 1.00 0.00 C ATOM 3582 O LEU Y 108 -4.888 20.103 -20.580 1.00 0.00 O ATOM 3583 CB LEU Y 108 -5.712 17.367 -21.988 1.00 0.00 C ATOM 3584 CG LEU Y 108 -4.466 17.155 -21.112 1.00 0.00 C ATOM 3585 CD1 LEU Y 108 -4.879 16.901 -19.652 1.00 0.00 C ATOM 3586 CD2 LEU Y 108 -3.680 15.946 -21.648 1.00 0.00 C ATOM 0 H LEU Y 108 -7.690 18.238 -23.249 1.00 0.00 H new ATOM 0 HA LEU Y 108 -6.853 18.394 -20.468 1.00 0.00 H new ATOM 0 HB2 LEU Y 108 -6.333 16.471 -21.970 1.00 0.00 H new ATOM 0 HB3 LEU Y 108 -5.412 17.526 -23.024 1.00 0.00 H new ATOM 0 HG LEU Y 108 -3.842 18.048 -21.146 1.00 0.00 H new ATOM 0 HD11 LEU Y 108 -3.988 16.752 -19.042 1.00 0.00 H new ATOM 0 HD12 LEU Y 108 -5.436 17.759 -19.277 1.00 0.00 H new ATOM 0 HD13 LEU Y 108 -5.506 16.011 -19.601 1.00 0.00 H new ATOM 0 HD21 LEU Y 108 -2.794 15.787 -21.034 1.00 0.00 H new ATOM 0 HD22 LEU Y 108 -4.310 15.058 -21.613 1.00 0.00 H new ATOM 0 HD23 LEU Y 108 -3.378 16.136 -22.678 1.00 0.00 H new ATOM 3598 N MET Y 109 -5.705 20.622 -22.544 1.00 0.00 N ATOM 3599 CA MET Y 109 -4.855 21.842 -22.580 1.00 0.00 C ATOM 3600 C MET Y 109 -5.199 22.746 -21.390 1.00 0.00 C ATOM 3601 O MET Y 109 -4.386 23.539 -20.964 1.00 0.00 O ATOM 3602 CB MET Y 109 -5.049 22.599 -23.907 1.00 0.00 C ATOM 3603 CG MET Y 109 -4.151 21.988 -24.994 1.00 0.00 C ATOM 3604 SD MET Y 109 -4.271 20.179 -24.940 1.00 0.00 S ATOM 3605 CE MET Y 109 -2.501 19.794 -24.935 1.00 0.00 C ATOM 0 H MET Y 109 -6.302 20.476 -23.358 1.00 0.00 H new ATOM 0 HA MET Y 109 -3.808 21.546 -22.510 1.00 0.00 H new ATOM 0 HB2 MET Y 109 -6.093 22.549 -24.215 1.00 0.00 H new ATOM 0 HB3 MET Y 109 -4.807 23.653 -23.773 1.00 0.00 H new ATOM 0 HG2 MET Y 109 -4.452 22.353 -25.976 1.00 0.00 H new ATOM 0 HG3 MET Y 109 -3.117 22.298 -24.842 1.00 0.00 H new ATOM 0 HE1 MET Y 109 -2.364 18.713 -24.903 1.00 0.00 H new ATOM 0 HE2 MET Y 109 -2.039 20.192 -25.839 1.00 0.00 H new ATOM 0 HE3 MET Y 109 -2.033 20.245 -24.060 1.00 0.00 H new ATOM 3615 N PHE Y 110 -6.389 22.655 -20.845 1.00 0.00 N ATOM 3616 CA PHE Y 110 -6.723 23.542 -19.694 1.00 0.00 C ATOM 3617 C PHE Y 110 -5.594 23.479 -18.658 1.00 0.00 C ATOM 3618 O PHE Y 110 -5.296 24.461 -18.008 1.00 0.00 O ATOM 3619 CB PHE Y 110 -8.095 23.180 -19.089 1.00 0.00 C ATOM 3620 CG PHE Y 110 -8.043 21.958 -18.183 1.00 0.00 C ATOM 3621 CD1 PHE Y 110 -7.457 20.768 -18.622 1.00 0.00 C ATOM 3622 CD2 PHE Y 110 -8.629 22.010 -16.908 1.00 0.00 C ATOM 3623 CE1 PHE Y 110 -7.450 19.639 -17.800 1.00 0.00 C ATOM 3624 CE2 PHE Y 110 -8.624 20.877 -16.086 1.00 0.00 C ATOM 3625 CZ PHE Y 110 -8.032 19.691 -16.535 1.00 0.00 C ATOM 0 H PHE Y 110 -7.128 22.018 -21.142 1.00 0.00 H new ATOM 0 HA PHE Y 110 -6.807 24.571 -20.044 1.00 0.00 H new ATOM 0 HB2 PHE Y 110 -8.471 24.031 -18.521 1.00 0.00 H new ATOM 0 HB3 PHE Y 110 -8.805 22.997 -19.896 1.00 0.00 H new ATOM 0 HD1 PHE Y 110 -7.007 20.721 -19.603 1.00 0.00 H new ATOM 0 HD2 PHE Y 110 -9.084 22.926 -16.561 1.00 0.00 H new ATOM 0 HE1 PHE Y 110 -6.993 18.724 -18.145 1.00 0.00 H new ATOM 0 HE2 PHE Y 110 -9.077 20.918 -15.106 1.00 0.00 H new ATOM 0 HZ PHE Y 110 -8.026 18.816 -15.901 1.00 0.00 H new ATOM 3635 N LYS Y 111 -4.913 22.365 -18.533 1.00 0.00 N ATOM 3636 CA LYS Y 111 -3.769 22.333 -17.576 1.00 0.00 C ATOM 3637 C LYS Y 111 -2.650 23.199 -18.142 1.00 0.00 C ATOM 3638 O LYS Y 111 -1.980 23.914 -17.425 1.00 0.00 O ATOM 3639 CB LYS Y 111 -3.210 20.918 -17.407 1.00 0.00 C ATOM 3640 CG LYS Y 111 -4.168 20.040 -16.605 1.00 0.00 C ATOM 3641 CD LYS Y 111 -4.347 20.604 -15.168 1.00 0.00 C ATOM 3642 CE LYS Y 111 -5.675 21.387 -15.023 1.00 0.00 C ATOM 3643 NZ LYS Y 111 -6.661 20.528 -14.309 1.00 0.00 N ATOM 0 H LYS Y 111 -5.095 21.498 -19.039 1.00 0.00 H new ATOM 0 HA LYS Y 111 -4.125 22.691 -16.610 1.00 0.00 H new ATOM 0 HB2 LYS Y 111 -3.038 20.473 -18.387 1.00 0.00 H new ATOM 0 HB3 LYS Y 111 -2.245 20.963 -16.903 1.00 0.00 H new ATOM 0 HG2 LYS Y 111 -5.134 19.993 -17.107 1.00 0.00 H new ATOM 0 HG3 LYS Y 111 -3.784 19.021 -16.557 1.00 0.00 H new ATOM 0 HD2 LYS Y 111 -4.327 19.784 -14.450 1.00 0.00 H new ATOM 0 HD3 LYS Y 111 -3.510 21.259 -14.927 1.00 0.00 H new ATOM 0 HE2 LYS Y 111 -5.510 22.312 -14.470 1.00 0.00 H new ATOM 0 HE3 LYS Y 111 -6.058 21.666 -16.005 1.00 0.00 H new ATOM 0 HZ1 LYS Y 111 -7.498 20.386 -14.910 1.00 0.00 H new ATOM 0 HZ2 LYS Y 111 -6.228 19.607 -14.095 1.00 0.00 H new ATOM 0 HZ3 LYS Y 111 -6.946 20.990 -13.422 1.00 0.00 H new ATOM 3657 N THR Y 112 -2.433 23.132 -19.427 1.00 0.00 N ATOM 3658 CA THR Y 112 -1.345 23.960 -20.022 1.00 0.00 C ATOM 3659 C THR Y 112 -1.642 25.435 -19.751 1.00 0.00 C ATOM 3660 O THR Y 112 -0.748 26.238 -19.571 1.00 0.00 O ATOM 3661 CB THR Y 112 -1.251 23.713 -21.530 1.00 0.00 C ATOM 3662 OG1 THR Y 112 -2.459 24.117 -22.157 1.00 0.00 O ATOM 3663 CG2 THR Y 112 -1.007 22.225 -21.786 1.00 0.00 C ATOM 0 H THR Y 112 -2.953 22.549 -20.083 1.00 0.00 H new ATOM 0 HA THR Y 112 -0.392 23.686 -19.570 1.00 0.00 H new ATOM 0 HB THR Y 112 -0.425 24.292 -21.943 1.00 0.00 H new ATOM 0 HG1 THR Y 112 -3.196 24.064 -21.513 1.00 0.00 H new ATOM 0 HG21 THR Y 112 -0.940 22.047 -22.859 1.00 0.00 H new ATOM 0 HG22 THR Y 112 -0.075 21.922 -21.309 1.00 0.00 H new ATOM 0 HG23 THR Y 112 -1.832 21.645 -21.373 1.00 0.00 H new ATOM 3671 N GLU Y 113 -2.896 25.794 -19.714 1.00 0.00 N ATOM 3672 CA GLU Y 113 -3.263 27.213 -19.449 1.00 0.00 C ATOM 3673 CB GLU Y 113 -2.931 27.566 -17.996 1.00 0.00 C ATOM 3674 CG GLU Y 113 -3.769 26.701 -17.049 1.00 0.00 C ATOM 3675 CD GLU Y 113 -3.551 27.165 -15.608 1.00 0.00 C ATOM 3676 OE1 GLU Y 113 -2.566 26.755 -15.016 1.00 0.00 O ATOM 3677 OE2 GLU Y 113 -4.373 27.923 -15.121 1.00 0.00 O ATOM 0 H GLU Y 113 -3.685 25.163 -19.856 1.00 0.00 H new ATOM 0 HB2 GLU Y 113 -1.870 27.406 -17.806 1.00 0.00 H new ATOM 0 HB3 GLU Y 113 -3.132 28.622 -17.813 1.00 0.00 H new ATOM 0 HG2 GLU Y 113 -4.825 26.775 -17.310 1.00 0.00 H new ATOM 0 HG3 GLU Y 113 -3.488 25.653 -17.151 1.00 0.00 H new