USER MOD reduce.3.24.130724 H: found=0, std=0, add=1588, rem=0, adj=56 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 55 LYS NZ :NH3+ -145:sc= -0.116 (180deg=-0.81) USER MOD Set 1.2: Y 109 MET CE :methyl -176:sc= 0 (180deg=0) USER MOD Set 2.1: A 55 LYS NZ :NH3+ -159:sc= -0.126 (180deg=-0.76) USER MOD Set 2.2: X 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 78 SER OG : rot -173:sc= -0.87 USER MOD Set 3.2: B 78 SER OG : rot 46:sc= 1.48 USER MOD Set 4.1: B 57 MET CE :methyl -134:sc= -0.972 (180deg=-4.82!) USER MOD Set 4.2: B 68 CYS SG : rot 140:sc= -0.0999 USER MOD Set 5.1: B 41 SER OG : rot 83:sc= 0.0841 USER MOD Set 5.2: B 42 HIS : no HD1:sc= 0.822 K(o=0.91,f=-2.5) USER MOD Set 6.1: B 33 LYS NZ :NH3+ -126:sc= -0.152! (180deg=-0.525) USER MOD Set 6.2: B 37 ASN : amide:sc= -5.46! C(o=-5.6!,f=-17!) USER MOD Set 7.1: A 81 THR OG1 : rot 76:sc= 0.0477 USER MOD Set 7.2: B 7 MET CE :methyl 173:sc= -0.541 (180deg=-0.768) USER MOD Set 8.1: A 57 MET CE :methyl -134:sc= -1.04 (180deg=-5.19!) USER MOD Set 8.2: A 68 CYS SG : rot 140:sc= -0.134 USER MOD Set 9.1: A 41 SER OG : rot 83:sc= 0.194 USER MOD Set 9.2: A 42 HIS : no HD1:sc= 0.778 K(o=0.97,f=-2.3) USER MOD Set10.1: A 33 LYS NZ :NH3+ -120:sc= -0.0543 (180deg=-0.529) USER MOD Set10.2: A 37 ASN : amide:sc= -6.17! C(o=-6.2!,f=-17!) USER MOD Set11.1: A 16 GLN : amide:sc= -4.22! C(o=-4.6!,f=-4.2!) USER MOD Set11.2: B 0 MET CE :methyl -159:sc= -0.38 (180deg=-1.25) USER MOD Set11.3: B 1 SER OG : rot 180:sc= -0.012 USER MOD Set12.1: A 7 MET CE :methyl 172:sc= -0.466 (180deg=-0.756) USER MOD Set12.2: B 81 THR OG1 : rot 76:sc= 0.0402 USER MOD Set13.1: A 0 MET CE :methyl -159:sc= -0.246 (180deg=-1.11) USER MOD Set13.2: A 1 SER OG : rot 180:sc=-0.00138 USER MOD Set13.3: B 16 GLN : amide:sc= -3.65! C(o=-3.9!,f=-3.7!) USER MOD Single : A 0 MET N :NH3+ -132:sc= -0.729 (180deg=-1.12) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 TYR OH : rot 0:sc= -0.216 USER MOD Single : A 18 SER OG : rot -63:sc= -0.305 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 166:sc= 0.193 (180deg=0.138) USER MOD Single : A 28 LYS NZ :NH3+ 140:sc= 0.271 (180deg=-1.25) USER MOD Single : A 29 LYS NZ :NH3+ 136:sc= -0.246 (180deg=-1.54!) USER MOD Single : A 30 SER OG : rot 180:sc= -0.317 USER MOD Single : A 38 ASN : amide:sc= -4.82! C(o=-4.8!,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ 160:sc= -0.129 (180deg=-0.83) USER MOD Single : A 50 GLN : amide:sc= -10.5! C(o=-10!,f=-4!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 74 MET CE :methyl -149:sc= -3.37! (180deg=-5.41!) USER MOD Single : A 79 MET CE :methyl 160:sc= -0.53 (180deg=-2.24!) USER MOD Single : A 82 THR OG1 : rot -170:sc= -0.996 USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 HIS : no HE2:sc= -0.47 K(o=-0.47,f=-1.5) USER MOD Single : B 0 MET N :NH3+ -123:sc= -0.682 (180deg=-0.995) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 17 TYR OH : rot 0:sc= -0.221 USER MOD Single : B 18 SER OG : rot -64:sc= -0.243 USER MOD Single : B 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 26 LYS NZ :NH3+ 168:sc= 0.177 (180deg=0.133) USER MOD Single : B 28 LYS NZ :NH3+ 140:sc= 0.337 (180deg=-1.16) USER MOD Single : B 29 LYS NZ :NH3+ 149:sc= -0.291 (180deg=-1.37!) USER MOD Single : B 30 SER OG : rot 180:sc= -0.388 USER MOD Single : B 38 ASN : amide:sc= -4.6! C(o=-4.6!,f=-2.2!) USER MOD Single : B 48 LYS NZ :NH3+ 163:sc= -0.136 (180deg=-0.732) USER MOD Single : B 50 GLN : amide:sc= -10.8! C(o=-11!,f=-4.1!) USER MOD Single : B 59 THR OG1 : rot 180:sc= 0 USER MOD Single : B 71 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : B 74 MET CE :methyl -152:sc= -3.45! (180deg=-5.61!) USER MOD Single : B 79 MET CE :methyl 159:sc= -0.535 (180deg=-2.23) USER MOD Single : B 82 THR OG1 : rot -170:sc= -0.888 USER MOD Single : B 84 CYS SG : rot 180:sc= 0 USER MOD Single : B 85 HIS : no HE2:sc= -0.494 K(o=-0.49,f=-1.6) USER MOD Single : X 105 HIS : no HD1:sc= -1.32 K(o=-1.3,f=-4.8!) USER MOD Single : X 106 LYS NZ :NH3+ 163:sc= -0.589 (180deg=-0.836) USER MOD Single : X 107 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.154) USER MOD Single : X 111 LYS NZ :NH3+ 180:sc= -9.39! (180deg=-9.39!) USER MOD Single : X 112 THR OG1 : rot 180:sc= -0.434 USER MOD Single : Y 105 HIS : no HE2:sc= -2.59 K(o=-2.6,f=-4.1!) USER MOD Single : Y 106 LYS NZ :NH3+ 180:sc= -0.0103 (180deg=-0.0103) USER MOD Single : Y 107 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.226) USER MOD Single : Y 111 LYS NZ :NH3+ -179:sc= -8.49! (180deg=-8.61!) USER MOD Single : Y 112 THR OG1 : rot 180:sc= -0.446 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -0.232 -4.494 -12.650 1.00 0.00 N ATOM 2 CA MET A 0 0.154 -3.926 -13.974 1.00 0.00 C ATOM 3 C MET A 0 -0.751 -2.736 -14.300 1.00 0.00 C ATOM 4 O MET A 0 -1.955 -2.804 -14.153 1.00 0.00 O ATOM 5 CB MET A 0 -0.016 -4.993 -15.059 1.00 0.00 C ATOM 6 CG MET A 0 0.877 -6.196 -14.747 1.00 0.00 C ATOM 7 SD MET A 0 2.618 -5.725 -14.926 1.00 0.00 S ATOM 8 CE MET A 0 2.646 -5.509 -16.726 1.00 0.00 C ATOM 0 H1 MET A 0 0.620 -4.631 -12.069 1.00 0.00 H new ATOM 0 H2 MET A 0 -0.879 -3.839 -12.167 1.00 0.00 H new ATOM 0 H3 MET A 0 -0.706 -5.409 -12.790 1.00 0.00 H new ATOM 0 HA MET A 0 1.194 -3.601 -13.937 1.00 0.00 H new ATOM 0 HB2 MET A 0 -1.058 -5.307 -15.113 1.00 0.00 H new ATOM 0 HB3 MET A 0 0.243 -4.579 -16.033 1.00 0.00 H new ATOM 0 HG2 MET A 0 0.688 -6.549 -13.733 1.00 0.00 H new ATOM 0 HG3 MET A 0 0.642 -7.020 -15.420 1.00 0.00 H new ATOM 0 HE1 MET A 0 3.672 -5.585 -17.086 1.00 0.00 H new ATOM 0 HE2 MET A 0 2.039 -6.284 -17.195 1.00 0.00 H new ATOM 0 HE3 MET A 0 2.244 -4.529 -16.981 1.00 0.00 H new ATOM 20 N SER A 1 -0.186 -1.648 -14.753 1.00 0.00 N ATOM 21 CA SER A 1 -1.028 -0.464 -15.100 1.00 0.00 C ATOM 22 C SER A 1 -1.801 0.017 -13.864 1.00 0.00 C ATOM 23 O SER A 1 -2.904 0.515 -13.967 1.00 0.00 O ATOM 24 CB SER A 1 -2.019 -0.860 -16.201 1.00 0.00 C ATOM 25 OG SER A 1 -1.380 -1.748 -17.110 1.00 0.00 O ATOM 0 H SER A 1 0.817 -1.527 -14.897 1.00 0.00 H new ATOM 0 HA SER A 1 -0.386 0.344 -15.450 1.00 0.00 H new ATOM 0 HB2 SER A 1 -2.895 -1.338 -15.763 1.00 0.00 H new ATOM 0 HB3 SER A 1 -2.370 0.028 -16.727 1.00 0.00 H new ATOM 0 HG SER A 1 -2.011 -2.005 -17.815 1.00 0.00 H new ATOM 31 N GLU A 2 -1.229 -0.121 -12.700 1.00 0.00 N ATOM 32 CA GLU A 2 -1.927 0.336 -11.461 1.00 0.00 C ATOM 33 C GLU A 2 -1.854 1.852 -11.370 1.00 0.00 C ATOM 34 O GLU A 2 -1.953 2.431 -10.307 1.00 0.00 O ATOM 35 CB GLU A 2 -1.265 -0.293 -10.245 1.00 0.00 C ATOM 36 CG GLU A 2 -1.535 -1.787 -10.292 1.00 0.00 C ATOM 37 CD GLU A 2 -0.888 -2.472 -9.087 1.00 0.00 C ATOM 38 OE1 GLU A 2 -0.130 -1.815 -8.393 1.00 0.00 O ATOM 39 OE2 GLU A 2 -1.166 -3.641 -8.875 1.00 0.00 O ATOM 0 H GLU A 2 -0.307 -0.531 -12.551 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.973 0.031 -11.494 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.193 -0.098 -10.250 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -1.663 0.139 -9.327 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.609 -1.971 -10.292 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.139 -2.208 -11.216 1.00 0.00 H new ATOM 46 N LEU A 3 -1.676 2.495 -12.481 1.00 0.00 N ATOM 47 CA LEU A 3 -1.589 3.977 -12.473 1.00 0.00 C ATOM 48 C LEU A 3 -2.884 4.550 -11.902 1.00 0.00 C ATOM 49 O LEU A 3 -2.901 5.626 -11.351 1.00 0.00 O ATOM 50 CB LEU A 3 -1.370 4.495 -13.899 1.00 0.00 C ATOM 51 CG LEU A 3 -1.285 6.029 -13.902 1.00 0.00 C ATOM 52 CD1 LEU A 3 -0.132 6.500 -12.997 1.00 0.00 C ATOM 53 CD2 LEU A 3 -1.041 6.506 -15.340 1.00 0.00 C ATOM 0 H LEU A 3 -1.586 2.059 -13.399 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.748 4.291 -11.855 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.453 4.072 -14.310 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -2.188 4.168 -14.542 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.217 6.446 -13.522 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.082 7.589 -13.008 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.305 6.155 -11.978 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.809 6.090 -13.364 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -0.979 7.594 -15.357 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.107 6.083 -15.710 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.864 6.180 -15.976 1.00 0.00 H new ATOM 65 N GLU A 4 -3.968 3.839 -12.026 1.00 0.00 N ATOM 66 CA GLU A 4 -5.254 4.354 -11.473 1.00 0.00 C ATOM 67 C GLU A 4 -5.146 4.429 -9.951 1.00 0.00 C ATOM 68 O GLU A 4 -5.634 5.344 -9.318 1.00 0.00 O ATOM 69 CB GLU A 4 -6.385 3.384 -11.821 1.00 0.00 C ATOM 70 CG GLU A 4 -6.684 3.427 -13.319 1.00 0.00 C ATOM 71 CD GLU A 4 -7.765 2.390 -13.637 1.00 0.00 C ATOM 72 OE1 GLU A 4 -8.205 1.723 -12.714 1.00 0.00 O ATOM 73 OE2 GLU A 4 -8.134 2.279 -14.792 1.00 0.00 O ATOM 0 H GLU A 4 -4.022 2.929 -12.483 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.459 5.338 -11.894 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.107 2.372 -11.528 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -7.281 3.644 -11.258 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.020 4.423 -13.608 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.780 3.217 -13.890 1.00 0.00 H new ATOM 80 N LYS A 5 -4.528 3.446 -9.371 1.00 0.00 N ATOM 81 CA LYS A 5 -4.386 3.393 -7.891 1.00 0.00 C ATOM 82 C LYS A 5 -3.454 4.498 -7.395 1.00 0.00 C ATOM 83 O LYS A 5 -3.679 5.087 -6.361 1.00 0.00 O ATOM 84 CB LYS A 5 -3.789 2.035 -7.529 1.00 0.00 C ATOM 85 CG LYS A 5 -3.724 1.865 -6.012 1.00 0.00 C ATOM 86 CD LYS A 5 -3.052 0.523 -5.690 1.00 0.00 C ATOM 87 CE LYS A 5 -1.544 0.591 -5.991 1.00 0.00 C ATOM 88 NZ LYS A 5 -0.832 -0.417 -5.155 1.00 0.00 N ATOM 0 H LYS A 5 -4.106 2.661 -9.867 1.00 0.00 H new ATOM 0 HA LYS A 5 -5.361 3.534 -7.424 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.392 1.238 -7.964 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.789 1.946 -7.954 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.162 2.685 -5.565 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.727 1.896 -5.586 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.209 0.273 -4.641 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.511 -0.271 -6.279 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.363 0.398 -7.048 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.163 1.590 -5.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.188 -0.375 -5.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.997 -0.212 -4.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.190 -1.368 -5.378 1.00 0.00 H new ATOM 102 N ALA A 6 -2.390 4.757 -8.100 1.00 0.00 N ATOM 103 CA ALA A 6 -1.431 5.800 -7.639 1.00 0.00 C ATOM 104 C ALA A 6 -2.028 7.199 -7.766 1.00 0.00 C ATOM 105 O ALA A 6 -1.833 8.041 -6.918 1.00 0.00 O ATOM 106 CB ALA A 6 -0.143 5.709 -8.460 1.00 0.00 C ATOM 0 H ALA A 6 -2.142 4.293 -8.974 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.212 5.622 -6.586 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.558 6.472 -8.123 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.303 4.723 -8.329 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.371 5.867 -9.514 1.00 0.00 H new ATOM 112 N MET A 7 -2.735 7.463 -8.820 1.00 0.00 N ATOM 113 CA MET A 7 -3.320 8.819 -8.993 1.00 0.00 C ATOM 114 C MET A 7 -4.375 9.063 -7.922 1.00 0.00 C ATOM 115 O MET A 7 -4.490 10.141 -7.370 1.00 0.00 O ATOM 116 CB MET A 7 -3.969 8.934 -10.373 1.00 0.00 C ATOM 117 CG MET A 7 -2.890 8.941 -11.457 1.00 0.00 C ATOM 118 SD MET A 7 -3.636 9.421 -13.034 1.00 0.00 S ATOM 119 CE MET A 7 -2.112 9.923 -13.867 1.00 0.00 C ATOM 0 H MET A 7 -2.935 6.802 -9.571 1.00 0.00 H new ATOM 0 HA MET A 7 -2.527 9.561 -8.902 1.00 0.00 H new ATOM 0 HB2 MET A 7 -4.653 8.100 -10.534 1.00 0.00 H new ATOM 0 HB3 MET A 7 -4.561 9.847 -10.431 1.00 0.00 H new ATOM 0 HG2 MET A 7 -2.094 9.637 -11.191 1.00 0.00 H new ATOM 0 HG3 MET A 7 -2.436 7.954 -11.541 1.00 0.00 H new ATOM 0 HE1 MET A 7 -2.321 10.126 -14.917 1.00 0.00 H new ATOM 0 HE2 MET A 7 -1.719 10.823 -13.394 1.00 0.00 H new ATOM 0 HE3 MET A 7 -1.376 9.123 -13.792 1.00 0.00 H new ATOM 129 N VAL A 8 -5.146 8.064 -7.631 1.00 0.00 N ATOM 130 CA VAL A 8 -6.210 8.212 -6.605 1.00 0.00 C ATOM 131 C VAL A 8 -5.562 8.409 -5.238 1.00 0.00 C ATOM 132 O VAL A 8 -6.059 9.131 -4.404 1.00 0.00 O ATOM 133 CB VAL A 8 -7.090 6.958 -6.592 1.00 0.00 C ATOM 134 CG1 VAL A 8 -8.044 7.007 -5.396 1.00 0.00 C ATOM 135 CG2 VAL A 8 -7.904 6.899 -7.885 1.00 0.00 C ATOM 0 H VAL A 8 -5.087 7.141 -8.062 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.831 9.077 -6.839 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.457 6.074 -6.513 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -8.668 6.113 -5.391 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.467 7.052 -4.472 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.677 7.891 -5.472 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.532 6.008 -7.880 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.534 7.786 -7.959 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.228 6.861 -8.739 1.00 0.00 H new ATOM 145 N ALA A 9 -4.475 7.737 -5.002 1.00 0.00 N ATOM 146 CA ALA A 9 -3.785 7.837 -3.683 1.00 0.00 C ATOM 147 C ALA A 9 -3.204 9.233 -3.460 1.00 0.00 C ATOM 148 O ALA A 9 -3.245 9.754 -2.366 1.00 0.00 O ATOM 149 CB ALA A 9 -2.659 6.815 -3.624 1.00 0.00 C ATOM 0 H ALA A 9 -4.026 7.114 -5.673 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.520 7.642 -2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.153 6.886 -2.661 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.070 5.813 -3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.946 7.013 -4.424 1.00 0.00 H new ATOM 155 N LEU A 10 -2.645 9.844 -4.467 1.00 0.00 N ATOM 156 CA LEU A 10 -2.055 11.198 -4.258 1.00 0.00 C ATOM 157 C LEU A 10 -3.162 12.133 -3.787 1.00 0.00 C ATOM 158 O LEU A 10 -2.973 12.964 -2.922 1.00 0.00 O ATOM 159 CB LEU A 10 -1.503 11.738 -5.584 1.00 0.00 C ATOM 160 CG LEU A 10 -0.349 10.862 -6.106 1.00 0.00 C ATOM 161 CD1 LEU A 10 -0.110 11.153 -7.597 1.00 0.00 C ATOM 162 CD2 LEU A 10 0.943 11.186 -5.346 1.00 0.00 C ATOM 0 H LEU A 10 -2.571 9.472 -5.414 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.251 11.137 -3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.301 11.772 -6.326 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.152 12.761 -5.445 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.617 9.816 -5.960 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.707 10.531 -7.963 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.016 10.930 -8.161 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.148 12.204 -7.726 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.753 10.561 -5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 10 1.197 12.236 -5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.799 10.991 -4.283 1.00 0.00 H new ATOM 174 N ILE A 11 -4.317 11.993 -4.359 1.00 0.00 N ATOM 175 CA ILE A 11 -5.461 12.853 -3.971 1.00 0.00 C ATOM 176 C ILE A 11 -5.949 12.494 -2.555 1.00 0.00 C ATOM 177 O ILE A 11 -6.359 13.351 -1.798 1.00 0.00 O ATOM 178 CB ILE A 11 -6.584 12.671 -5.000 1.00 0.00 C ATOM 179 CG1 ILE A 11 -6.138 13.282 -6.338 1.00 0.00 C ATOM 180 CG2 ILE A 11 -7.845 13.382 -4.517 1.00 0.00 C ATOM 181 CD1 ILE A 11 -7.122 12.905 -7.455 1.00 0.00 C ATOM 0 H ILE A 11 -4.521 11.310 -5.089 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.150 13.898 -3.956 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.796 11.609 -5.126 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.079 14.367 -6.248 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.138 12.928 -6.591 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.640 13.251 -5.251 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.158 12.959 -3.562 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.638 14.445 -4.393 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.791 13.346 -8.395 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.160 11.820 -7.556 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.115 13.281 -7.208 1.00 0.00 H new ATOM 193 N ASP A 12 -5.939 11.232 -2.204 1.00 0.00 N ATOM 194 CA ASP A 12 -6.436 10.815 -0.854 1.00 0.00 C ATOM 195 C ASP A 12 -5.599 11.434 0.273 1.00 0.00 C ATOM 196 O ASP A 12 -6.124 11.890 1.272 1.00 0.00 O ATOM 197 CB ASP A 12 -6.346 9.292 -0.744 1.00 0.00 C ATOM 198 CG ASP A 12 -7.389 8.647 -1.660 1.00 0.00 C ATOM 199 OD1 ASP A 12 -8.360 9.313 -1.979 1.00 0.00 O ATOM 200 OD2 ASP A 12 -7.195 7.501 -2.031 1.00 0.00 O ATOM 0 H ASP A 12 -5.607 10.470 -2.795 1.00 0.00 H new ATOM 0 HA ASP A 12 -7.465 11.160 -0.750 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.347 8.956 -1.021 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.512 8.982 0.288 1.00 0.00 H new ATOM 205 N VAL A 13 -4.305 11.435 0.135 1.00 0.00 N ATOM 206 CA VAL A 13 -3.441 11.999 1.212 1.00 0.00 C ATOM 207 C VAL A 13 -3.637 13.519 1.268 1.00 0.00 C ATOM 208 O VAL A 13 -3.708 14.115 2.332 1.00 0.00 O ATOM 209 CB VAL A 13 -1.964 11.591 0.939 1.00 0.00 C ATOM 210 CG1 VAL A 13 -1.115 12.778 0.461 1.00 0.00 C ATOM 211 CG2 VAL A 13 -1.340 11.013 2.216 1.00 0.00 C ATOM 0 H VAL A 13 -3.806 11.070 -0.676 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.715 11.601 2.189 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.976 10.842 0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.092 12.446 0.283 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.533 13.175 -0.464 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.116 13.557 1.224 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.306 10.729 2.019 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.366 11.764 3.006 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.904 10.135 2.531 1.00 0.00 H new ATOM 221 N PHE A 14 -3.745 14.144 0.133 1.00 0.00 N ATOM 222 CA PHE A 14 -3.956 15.612 0.119 1.00 0.00 C ATOM 223 C PHE A 14 -5.187 15.925 0.962 1.00 0.00 C ATOM 224 O PHE A 14 -5.222 16.897 1.669 1.00 0.00 O ATOM 225 CB PHE A 14 -4.172 16.089 -1.327 1.00 0.00 C ATOM 226 CG PHE A 14 -4.797 17.469 -1.329 1.00 0.00 C ATOM 227 CD1 PHE A 14 -6.191 17.594 -1.283 1.00 0.00 C ATOM 228 CD2 PHE A 14 -3.993 18.614 -1.364 1.00 0.00 C ATOM 229 CE1 PHE A 14 -6.782 18.862 -1.275 1.00 0.00 C ATOM 230 CE2 PHE A 14 -4.585 19.883 -1.354 1.00 0.00 C ATOM 231 CZ PHE A 14 -5.979 20.007 -1.310 1.00 0.00 C ATOM 0 H PHE A 14 -3.696 13.701 -0.785 1.00 0.00 H new ATOM 0 HA PHE A 14 -3.085 16.125 0.527 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.220 16.111 -1.857 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.816 15.388 -1.858 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.811 16.710 -1.254 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.918 18.519 -1.399 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.857 18.957 -1.242 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.966 20.767 -1.380 1.00 0.00 H new ATOM 0 HZ PHE A 14 -6.434 20.986 -1.303 1.00 0.00 H new ATOM 241 N HIS A 15 -6.197 15.115 0.875 1.00 0.00 N ATOM 242 CA HIS A 15 -7.432 15.374 1.663 1.00 0.00 C ATOM 243 C HIS A 15 -7.120 15.385 3.164 1.00 0.00 C ATOM 244 O HIS A 15 -7.729 16.115 3.922 1.00 0.00 O ATOM 245 CB HIS A 15 -8.467 14.288 1.361 1.00 0.00 C ATOM 246 CG HIS A 15 -9.722 14.557 2.144 1.00 0.00 C ATOM 247 ND1 HIS A 15 -10.568 15.616 1.843 1.00 0.00 N ATOM 248 CD2 HIS A 15 -10.290 13.916 3.219 1.00 0.00 C ATOM 249 CE1 HIS A 15 -11.588 15.582 2.720 1.00 0.00 C ATOM 250 NE2 HIS A 15 -11.465 14.567 3.577 1.00 0.00 N ATOM 0 H HIS A 15 -6.223 14.280 0.290 1.00 0.00 H new ATOM 0 HA HIS A 15 -7.830 16.349 1.383 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -8.689 14.269 0.294 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -8.067 13.308 1.621 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -9.886 13.042 3.709 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -12.405 16.289 2.729 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -12.100 14.320 4.336 1.00 0.00 H new ATOM 259 N GLN A 16 -6.205 14.569 3.610 1.00 0.00 N ATOM 260 CA GLN A 16 -5.900 14.528 5.070 1.00 0.00 C ATOM 261 C GLN A 16 -5.422 15.893 5.581 1.00 0.00 C ATOM 262 O GLN A 16 -5.762 16.296 6.676 1.00 0.00 O ATOM 263 CB GLN A 16 -4.785 13.510 5.320 1.00 0.00 C ATOM 264 CG GLN A 16 -5.309 12.095 5.089 1.00 0.00 C ATOM 265 CD GLN A 16 -4.151 11.103 5.191 1.00 0.00 C ATOM 266 OE1 GLN A 16 -3.265 11.266 6.006 1.00 0.00 O ATOM 267 NE2 GLN A 16 -4.121 10.072 4.393 1.00 0.00 N ATOM 0 H GLN A 16 -5.658 13.932 3.031 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.814 14.252 5.597 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -3.944 13.708 4.655 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.414 13.607 6.340 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.075 11.854 5.826 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.778 12.024 4.107 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.865 9.935 3.709 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -3.354 9.403 4.453 1.00 0.00 H new ATOM 276 N TYR A 17 -4.615 16.596 4.830 1.00 0.00 N ATOM 277 CA TYR A 17 -4.097 17.921 5.325 1.00 0.00 C ATOM 278 C TYR A 17 -4.960 19.094 4.850 1.00 0.00 C ATOM 279 O TYR A 17 -4.982 20.141 5.468 1.00 0.00 O ATOM 280 CB TYR A 17 -2.658 18.102 4.831 1.00 0.00 C ATOM 281 CG TYR A 17 -1.757 17.226 5.661 1.00 0.00 C ATOM 282 CD1 TYR A 17 -1.593 15.881 5.324 1.00 0.00 C ATOM 283 CD2 TYR A 17 -1.109 17.757 6.780 1.00 0.00 C ATOM 284 CE1 TYR A 17 -0.777 15.061 6.106 1.00 0.00 C ATOM 285 CE2 TYR A 17 -0.288 16.943 7.563 1.00 0.00 C ATOM 286 CZ TYR A 17 -0.120 15.592 7.228 1.00 0.00 C ATOM 287 OH TYR A 17 0.686 14.784 8.004 1.00 0.00 O ATOM 0 H TYR A 17 -4.291 16.320 3.903 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.133 17.916 6.414 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -2.582 17.834 3.777 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -2.356 19.146 4.917 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.097 15.475 4.459 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.243 18.797 7.039 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.651 14.020 5.848 1.00 0.00 H new ATOM 0 HE2 TYR A 17 0.217 17.353 8.425 1.00 0.00 H new ATOM 0 HH TYR A 17 0.689 13.876 7.636 1.00 0.00 H new ATOM 297 N SER A 18 -5.656 18.949 3.768 1.00 0.00 N ATOM 298 CA SER A 18 -6.492 20.076 3.276 1.00 0.00 C ATOM 299 C SER A 18 -7.528 20.440 4.341 1.00 0.00 C ATOM 300 O SER A 18 -7.812 21.597 4.578 1.00 0.00 O ATOM 301 CB SER A 18 -7.201 19.654 1.987 1.00 0.00 C ATOM 302 OG SER A 18 -8.396 18.956 2.314 1.00 0.00 O ATOM 0 H SER A 18 -5.686 18.102 3.200 1.00 0.00 H new ATOM 0 HA SER A 18 -5.862 20.943 3.075 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.432 20.531 1.382 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.547 19.018 1.390 1.00 0.00 H new ATOM 0 HG SER A 18 -8.172 18.134 2.798 1.00 0.00 H new ATOM 308 N GLY A 19 -8.094 19.456 4.984 1.00 0.00 N ATOM 309 CA GLY A 19 -9.116 19.731 6.041 1.00 0.00 C ATOM 310 C GLY A 19 -8.436 19.998 7.390 1.00 0.00 C ATOM 311 O GLY A 19 -9.086 20.049 8.415 1.00 0.00 O ATOM 0 H GLY A 19 -7.894 18.469 4.824 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.721 20.592 5.755 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.793 18.881 6.130 1.00 0.00 H new ATOM 315 N ARG A 20 -7.139 20.134 7.411 1.00 0.00 N ATOM 316 CA ARG A 20 -6.439 20.358 8.712 1.00 0.00 C ATOM 317 C ARG A 20 -6.930 21.637 9.398 1.00 0.00 C ATOM 318 O ARG A 20 -7.262 21.628 10.568 1.00 0.00 O ATOM 319 CB ARG A 20 -4.930 20.462 8.457 1.00 0.00 C ATOM 320 CG ARG A 20 -4.175 20.708 9.774 1.00 0.00 C ATOM 321 CD ARG A 20 -4.470 19.584 10.768 1.00 0.00 C ATOM 322 NE ARG A 20 -3.376 19.523 11.780 1.00 0.00 N ATOM 323 CZ ARG A 20 -3.521 18.806 12.861 1.00 0.00 C ATOM 324 NH1 ARG A 20 -4.612 18.115 13.048 1.00 0.00 N ATOM 325 NH2 ARG A 20 -2.570 18.775 13.754 1.00 0.00 N ATOM 0 H ARG A 20 -6.534 20.100 6.590 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.657 19.517 9.370 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.570 19.545 7.991 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.729 21.274 7.759 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.103 20.763 9.583 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -4.472 21.667 10.199 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.427 19.759 11.260 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.551 18.631 10.244 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.512 20.043 11.627 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.354 18.134 12.348 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.723 17.556 13.894 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.715 19.311 13.607 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.682 18.215 14.599 1.00 0.00 H new ATOM 339 N GLU A 21 -6.964 22.735 8.690 1.00 0.00 N ATOM 340 CA GLU A 21 -7.419 24.032 9.302 1.00 0.00 C ATOM 341 C GLU A 21 -8.744 24.472 8.676 1.00 0.00 C ATOM 342 O GLU A 21 -9.401 25.364 9.177 1.00 0.00 O ATOM 343 CB GLU A 21 -6.368 25.119 9.056 1.00 0.00 C ATOM 344 CG GLU A 21 -5.033 24.711 9.686 1.00 0.00 C ATOM 345 CD GLU A 21 -5.195 24.574 11.201 1.00 0.00 C ATOM 346 OE1 GLU A 21 -6.056 25.243 11.748 1.00 0.00 O ATOM 347 OE2 GLU A 21 -4.455 23.802 11.788 1.00 0.00 O ATOM 0 H GLU A 21 -6.696 22.796 7.708 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.553 23.884 10.373 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.241 25.277 7.985 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.705 26.065 9.480 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.693 23.767 9.261 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.270 25.456 9.459 1.00 0.00 H new ATOM 354 N GLY A 22 -9.147 23.852 7.593 1.00 0.00 N ATOM 355 CA GLY A 22 -10.442 24.228 6.935 1.00 0.00 C ATOM 356 C GLY A 22 -10.210 24.612 5.470 1.00 0.00 C ATOM 357 O GLY A 22 -11.124 24.579 4.670 1.00 0.00 O ATOM 0 H GLY A 22 -8.634 23.099 7.134 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.141 23.393 6.992 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.898 25.062 7.468 1.00 0.00 H new ATOM 361 N ASP A 23 -9.009 24.969 5.094 1.00 0.00 N ATOM 362 CA ASP A 23 -8.782 25.334 3.668 1.00 0.00 C ATOM 363 C ASP A 23 -8.815 24.057 2.834 1.00 0.00 C ATOM 364 O ASP A 23 -7.844 23.670 2.219 1.00 0.00 O ATOM 365 CB ASP A 23 -7.425 26.019 3.512 1.00 0.00 C ATOM 366 CG ASP A 23 -7.291 27.128 4.556 1.00 0.00 C ATOM 367 OD1 ASP A 23 -8.292 27.760 4.853 1.00 0.00 O ATOM 368 OD2 ASP A 23 -6.190 27.329 5.039 1.00 0.00 O ATOM 0 H ASP A 23 -8.191 25.023 5.701 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.558 26.023 3.333 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.622 25.292 3.633 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.329 26.435 2.509 1.00 0.00 H new ATOM 373 N LYS A 24 -9.933 23.394 2.822 1.00 0.00 N ATOM 374 CA LYS A 24 -10.053 22.132 2.046 1.00 0.00 C ATOM 375 C LYS A 24 -9.788 22.399 0.560 1.00 0.00 C ATOM 376 O LYS A 24 -9.201 21.589 -0.129 1.00 0.00 O ATOM 377 CB LYS A 24 -11.459 21.555 2.226 1.00 0.00 C ATOM 378 CG LYS A 24 -11.556 20.217 1.491 1.00 0.00 C ATOM 379 CD LYS A 24 -12.861 19.512 1.873 1.00 0.00 C ATOM 380 CE LYS A 24 -14.062 20.367 1.457 1.00 0.00 C ATOM 381 NZ LYS A 24 -15.278 19.510 1.396 1.00 0.00 N ATOM 0 H LYS A 24 -10.777 23.674 3.321 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.316 21.416 2.411 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.675 21.417 3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -12.202 22.251 1.837 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -11.521 20.379 0.414 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -10.703 19.588 1.746 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -12.913 18.538 1.387 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -12.886 19.334 2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -14.210 21.178 2.170 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.877 20.826 0.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.096 20.087 1.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.133 18.751 0.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -15.456 19.092 2.332 1.00 0.00 H new ATOM 395 N HIS A 25 -10.243 23.514 0.054 1.00 0.00 N ATOM 396 CA HIS A 25 -10.049 23.815 -1.396 1.00 0.00 C ATOM 397 C HIS A 25 -8.611 24.268 -1.686 1.00 0.00 C ATOM 398 O HIS A 25 -8.156 24.191 -2.810 1.00 0.00 O ATOM 399 CB HIS A 25 -11.009 24.931 -1.810 1.00 0.00 C ATOM 400 CG HIS A 25 -12.425 24.436 -1.733 1.00 0.00 C ATOM 401 ND1 HIS A 25 -12.959 23.561 -2.670 1.00 0.00 N ATOM 402 CD2 HIS A 25 -13.436 24.692 -0.839 1.00 0.00 C ATOM 403 CE1 HIS A 25 -14.238 23.325 -2.320 1.00 0.00 C ATOM 404 NE2 HIS A 25 -14.575 23.990 -1.214 1.00 0.00 N ATOM 0 H HIS A 25 -10.741 24.231 0.582 1.00 0.00 H new ATOM 0 HA HIS A 25 -10.247 22.904 -1.961 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -10.880 25.795 -1.158 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -10.783 25.260 -2.824 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -13.358 25.339 0.022 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -14.908 22.678 -2.867 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -15.479 23.984 -0.742 1.00 0.00 H new ATOM 413 N LYS A 26 -7.890 24.756 -0.708 1.00 0.00 N ATOM 414 CA LYS A 26 -6.492 25.223 -0.985 1.00 0.00 C ATOM 415 C LYS A 26 -5.596 25.016 0.237 1.00 0.00 C ATOM 416 O LYS A 26 -6.052 24.883 1.353 1.00 0.00 O ATOM 417 CB LYS A 26 -6.524 26.708 -1.346 1.00 0.00 C ATOM 418 CG LYS A 26 -7.103 27.504 -0.177 1.00 0.00 C ATOM 419 CD LYS A 26 -7.334 28.952 -0.610 1.00 0.00 C ATOM 420 CE LYS A 26 -7.799 29.774 0.593 1.00 0.00 C ATOM 421 NZ LYS A 26 -7.868 31.213 0.213 1.00 0.00 N ATOM 0 H LYS A 26 -8.201 24.852 0.259 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.085 24.642 -1.813 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.518 27.059 -1.576 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.128 26.863 -2.240 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.042 27.057 0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.420 27.472 0.672 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.415 29.372 -1.018 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.082 28.991 -1.402 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.777 29.428 0.928 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.110 29.640 1.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.401 31.738 0.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.905 31.600 0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.346 31.307 -0.706 1.00 0.00 H new ATOM 435 N LEU A 27 -4.311 24.989 0.013 1.00 0.00 N ATOM 436 CA LEU A 27 -3.328 24.790 1.121 1.00 0.00 C ATOM 437 C LEU A 27 -2.595 26.101 1.404 1.00 0.00 C ATOM 438 O LEU A 27 -2.176 26.790 0.500 1.00 0.00 O ATOM 439 CB LEU A 27 -2.292 23.741 0.682 1.00 0.00 C ATOM 440 CG LEU A 27 -2.850 22.319 0.844 1.00 0.00 C ATOM 441 CD1 LEU A 27 -1.918 21.340 0.119 1.00 0.00 C ATOM 442 CD2 LEU A 27 -2.923 21.933 2.337 1.00 0.00 C ATOM 0 H LEU A 27 -3.891 25.099 -0.910 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.855 24.461 2.017 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.015 23.911 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.384 23.850 1.276 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.854 22.278 0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.302 20.325 0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.869 21.600 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.920 21.398 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.321 20.923 2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.924 21.973 2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.576 22.631 2.862 1.00 0.00 H new ATOM 454 N LYS A 28 -2.402 26.434 2.653 1.00 0.00 N ATOM 455 CA LYS A 28 -1.653 27.675 2.990 1.00 0.00 C ATOM 456 C LYS A 28 -0.214 27.262 3.289 1.00 0.00 C ATOM 457 O LYS A 28 0.028 26.142 3.692 1.00 0.00 O ATOM 458 CB LYS A 28 -2.254 28.319 4.246 1.00 0.00 C ATOM 459 CG LYS A 28 -3.642 28.885 3.931 1.00 0.00 C ATOM 460 CD LYS A 28 -4.356 29.297 5.228 1.00 0.00 C ATOM 461 CE LYS A 28 -3.690 30.535 5.840 1.00 0.00 C ATOM 462 NZ LYS A 28 -3.575 31.604 4.809 1.00 0.00 N ATOM 0 H LYS A 28 -2.733 25.897 3.455 1.00 0.00 H new ATOM 0 HA LYS A 28 -1.703 28.389 2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.326 27.581 5.045 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.601 29.114 4.605 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.550 29.746 3.269 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.235 28.139 3.402 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.405 29.507 5.021 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.330 28.473 5.941 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.276 30.894 6.686 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.702 30.277 6.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.788 32.526 5.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.608 31.616 4.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.249 31.418 4.039 1.00 0.00 H new ATOM 476 N LYS A 29 0.748 28.133 3.114 1.00 0.00 N ATOM 477 CA LYS A 29 2.154 27.732 3.423 1.00 0.00 C ATOM 478 C LYS A 29 2.157 27.099 4.811 1.00 0.00 C ATOM 479 O LYS A 29 3.018 26.319 5.166 1.00 0.00 O ATOM 480 CB LYS A 29 3.072 28.968 3.416 1.00 0.00 C ATOM 481 CG LYS A 29 2.780 29.881 4.621 1.00 0.00 C ATOM 482 CD LYS A 29 3.622 31.169 4.521 1.00 0.00 C ATOM 483 CE LYS A 29 2.906 32.211 3.654 1.00 0.00 C ATOM 484 NZ LYS A 29 1.562 32.497 4.231 1.00 0.00 N ATOM 0 H LYS A 29 0.625 29.088 2.777 1.00 0.00 H new ATOM 0 HA LYS A 29 2.521 27.029 2.675 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.115 28.651 3.440 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.930 29.526 2.490 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.719 30.131 4.650 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.010 29.357 5.549 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.797 31.575 5.517 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.598 30.940 4.094 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.495 33.127 3.606 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.805 31.843 2.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.392 33.523 4.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.832 32.022 3.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.522 32.146 5.209 1.00 0.00 H new ATOM 498 N SER A 30 1.171 27.445 5.587 1.00 0.00 N ATOM 499 CA SER A 30 1.058 26.888 6.964 1.00 0.00 C ATOM 500 C SER A 30 0.542 25.451 6.891 1.00 0.00 C ATOM 501 O SER A 30 1.082 24.557 7.512 1.00 0.00 O ATOM 502 CB SER A 30 0.085 27.738 7.780 1.00 0.00 C ATOM 503 OG SER A 30 -1.225 27.597 7.246 1.00 0.00 O ATOM 0 H SER A 30 0.431 28.096 5.325 1.00 0.00 H new ATOM 0 HA SER A 30 2.038 26.899 7.442 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.100 27.426 8.824 1.00 0.00 H new ATOM 0 HB3 SER A 30 0.389 28.784 7.755 1.00 0.00 H new ATOM 0 HG SER A 30 -1.851 28.140 7.769 1.00 0.00 H new ATOM 509 N GLU A 31 -0.493 25.216 6.128 1.00 0.00 N ATOM 510 CA GLU A 31 -1.023 23.831 6.013 1.00 0.00 C ATOM 511 C GLU A 31 -0.001 22.989 5.259 1.00 0.00 C ATOM 512 O GLU A 31 0.194 21.823 5.539 1.00 0.00 O ATOM 513 CB GLU A 31 -2.343 23.836 5.248 1.00 0.00 C ATOM 514 CG GLU A 31 -3.417 24.531 6.081 1.00 0.00 C ATOM 515 CD GLU A 31 -4.731 24.528 5.302 1.00 0.00 C ATOM 516 OE1 GLU A 31 -4.773 23.906 4.253 1.00 0.00 O ATOM 517 OE2 GLU A 31 -5.670 25.147 5.764 1.00 0.00 O ATOM 0 H GLU A 31 -0.990 25.921 5.583 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.198 23.418 7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.220 24.349 4.294 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.648 22.814 5.023 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.544 24.019 7.035 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.115 25.554 6.306 1.00 0.00 H new ATOM 524 N LEU A 32 0.660 23.581 4.302 1.00 0.00 N ATOM 525 CA LEU A 32 1.678 22.828 3.528 1.00 0.00 C ATOM 526 C LEU A 32 2.752 22.338 4.489 1.00 0.00 C ATOM 527 O LEU A 32 3.229 21.234 4.379 1.00 0.00 O ATOM 528 CB LEU A 32 2.303 23.757 2.475 1.00 0.00 C ATOM 529 CG LEU A 32 3.474 23.060 1.764 1.00 0.00 C ATOM 530 CD1 LEU A 32 2.998 21.754 1.114 1.00 0.00 C ATOM 531 CD2 LEU A 32 4.024 23.996 0.683 1.00 0.00 C ATOM 0 H LEU A 32 0.536 24.555 4.025 1.00 0.00 H new ATOM 0 HA LEU A 32 1.219 21.977 3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.548 24.047 1.744 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.653 24.672 2.952 1.00 0.00 H new ATOM 0 HG LEU A 32 4.252 22.827 2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.837 21.270 0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.601 21.090 1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.218 21.974 0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.856 23.512 0.171 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.237 24.222 -0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.371 24.921 1.144 1.00 0.00 H new ATOM 543 N LYS A 33 3.133 23.149 5.432 1.00 0.00 N ATOM 544 CA LYS A 33 4.177 22.719 6.407 1.00 0.00 C ATOM 545 C LYS A 33 3.701 21.479 7.168 1.00 0.00 C ATOM 546 O LYS A 33 4.465 20.572 7.435 1.00 0.00 O ATOM 547 CB LYS A 33 4.439 23.846 7.404 1.00 0.00 C ATOM 548 CG LYS A 33 5.635 23.477 8.283 1.00 0.00 C ATOM 549 CD LYS A 33 5.899 24.603 9.281 1.00 0.00 C ATOM 550 CE LYS A 33 7.140 24.271 10.108 1.00 0.00 C ATOM 551 NZ LYS A 33 6.900 23.020 10.881 1.00 0.00 N ATOM 0 H LYS A 33 2.769 24.091 5.572 1.00 0.00 H new ATOM 0 HA LYS A 33 5.093 22.483 5.865 1.00 0.00 H new ATOM 0 HB2 LYS A 33 4.637 24.777 6.873 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.557 24.012 8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 33 5.437 22.546 8.813 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.517 23.310 7.665 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.043 25.545 8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.037 24.733 9.935 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.004 24.148 9.454 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.369 25.093 10.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.986 23.218 11.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.944 22.664 10.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.602 22.303 10.607 1.00 0.00 H new ATOM 565 N GLU A 34 2.449 21.439 7.532 1.00 0.00 N ATOM 566 CA GLU A 34 1.926 20.273 8.284 1.00 0.00 C ATOM 567 C GLU A 34 2.087 19.022 7.433 1.00 0.00 C ATOM 568 O GLU A 34 2.429 17.974 7.916 1.00 0.00 O ATOM 569 CB GLU A 34 0.449 20.498 8.621 1.00 0.00 C ATOM 570 CG GLU A 34 0.325 21.612 9.663 1.00 0.00 C ATOM 571 CD GLU A 34 0.893 21.136 11.002 1.00 0.00 C ATOM 572 OE1 GLU A 34 0.896 19.938 11.231 1.00 0.00 O ATOM 573 OE2 GLU A 34 1.315 21.980 11.777 1.00 0.00 O ATOM 0 H GLU A 34 1.765 22.170 7.338 1.00 0.00 H new ATOM 0 HA GLU A 34 2.482 20.151 9.214 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.103 20.765 7.720 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.008 19.577 9.004 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.860 22.499 9.325 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.720 21.897 9.782 1.00 0.00 H new ATOM 580 N LEU A 35 1.842 19.122 6.166 1.00 0.00 N ATOM 581 CA LEU A 35 2.005 17.931 5.295 1.00 0.00 C ATOM 582 C LEU A 35 3.470 17.500 5.302 1.00 0.00 C ATOM 583 O LEU A 35 3.798 16.349 5.482 1.00 0.00 O ATOM 584 CB LEU A 35 1.589 18.303 3.865 1.00 0.00 C ATOM 585 CG LEU A 35 1.973 17.170 2.870 1.00 0.00 C ATOM 586 CD1 LEU A 35 0.897 17.044 1.786 1.00 0.00 C ATOM 587 CD2 LEU A 35 3.323 17.473 2.187 1.00 0.00 C ATOM 0 H LEU A 35 1.537 19.973 5.693 1.00 0.00 H new ATOM 0 HA LEU A 35 1.384 17.113 5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.514 18.478 3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.074 19.233 3.570 1.00 0.00 H new ATOM 0 HG LEU A 35 2.055 16.240 3.433 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.171 16.249 1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.061 16.807 2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.814 17.986 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.570 16.667 1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.250 18.412 1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.103 17.554 2.944 1.00 0.00 H new ATOM 599 N ILE A 36 4.349 18.428 5.072 1.00 0.00 N ATOM 600 CA ILE A 36 5.800 18.107 5.008 1.00 0.00 C ATOM 601 C ILE A 36 6.358 17.705 6.374 1.00 0.00 C ATOM 602 O ILE A 36 7.099 16.749 6.486 1.00 0.00 O ATOM 603 CB ILE A 36 6.539 19.345 4.496 1.00 0.00 C ATOM 604 CG1 ILE A 36 6.050 19.670 3.080 1.00 0.00 C ATOM 605 CG2 ILE A 36 8.045 19.077 4.477 1.00 0.00 C ATOM 606 CD1 ILE A 36 6.588 21.037 2.649 1.00 0.00 C ATOM 0 H ILE A 36 4.122 19.411 4.923 1.00 0.00 H new ATOM 0 HA ILE A 36 5.942 17.259 4.338 1.00 0.00 H new ATOM 0 HB ILE A 36 6.339 20.190 5.154 1.00 0.00 H new ATOM 0 HG12 ILE A 36 6.385 18.901 2.384 1.00 0.00 H new ATOM 0 HG13 ILE A 36 4.960 19.672 3.053 1.00 0.00 H new ATOM 0 HG21 ILE A 36 8.567 19.961 4.112 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.386 18.845 5.486 1.00 0.00 H new ATOM 0 HG23 ILE A 36 8.256 18.233 3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 36 6.238 21.265 1.642 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.231 21.802 3.339 1.00 0.00 H new ATOM 0 HD13 ILE A 36 7.678 21.019 2.659 1.00 0.00 H new ATOM 618 N ASN A 37 6.044 18.430 7.407 1.00 0.00 N ATOM 619 CA ASN A 37 6.603 18.077 8.744 1.00 0.00 C ATOM 620 C ASN A 37 5.976 16.792 9.302 1.00 0.00 C ATOM 621 O ASN A 37 6.632 15.999 9.948 1.00 0.00 O ATOM 622 CB ASN A 37 6.337 19.226 9.722 1.00 0.00 C ATOM 623 CG ASN A 37 7.239 20.413 9.382 1.00 0.00 C ATOM 624 OD1 ASN A 37 7.954 20.908 10.231 1.00 0.00 O ATOM 625 ND2 ASN A 37 7.238 20.895 8.169 1.00 0.00 N ATOM 0 H ASN A 37 5.431 19.245 7.388 1.00 0.00 H new ATOM 0 HA ASN A 37 7.674 17.910 8.626 1.00 0.00 H new ATOM 0 HB2 ASN A 37 5.290 19.526 9.670 1.00 0.00 H new ATOM 0 HB3 ASN A 37 6.523 18.897 10.744 1.00 0.00 H new ATOM 0 HD21 ASN A 37 7.837 21.686 7.934 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.638 20.480 7.456 1.00 0.00 H new ATOM 632 N ASN A 38 4.699 16.627 9.120 1.00 0.00 N ATOM 633 CA ASN A 38 3.981 15.439 9.706 1.00 0.00 C ATOM 634 C ASN A 38 3.722 14.301 8.704 1.00 0.00 C ATOM 635 O ASN A 38 3.696 13.148 9.087 1.00 0.00 O ATOM 636 CB ASN A 38 2.640 15.911 10.268 1.00 0.00 C ATOM 637 CG ASN A 38 2.886 17.049 11.258 1.00 0.00 C ATOM 638 OD1 ASN A 38 1.958 17.694 11.705 1.00 0.00 O ATOM 639 ND2 ASN A 38 4.110 17.330 11.616 1.00 0.00 N ATOM 0 H ASN A 38 4.107 17.264 8.587 1.00 0.00 H new ATOM 0 HA ASN A 38 4.633 15.029 10.477 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.992 16.249 9.460 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.128 15.086 10.763 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.288 18.091 12.271 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.888 16.788 11.240 1.00 0.00 H new ATOM 646 N GLU A 39 3.495 14.576 7.445 1.00 0.00 N ATOM 647 CA GLU A 39 3.206 13.441 6.506 1.00 0.00 C ATOM 648 C GLU A 39 4.520 12.781 6.109 1.00 0.00 C ATOM 649 O GLU A 39 4.542 11.672 5.611 1.00 0.00 O ATOM 650 CB GLU A 39 2.466 13.940 5.250 1.00 0.00 C ATOM 651 CG GLU A 39 1.759 12.762 4.571 1.00 0.00 C ATOM 652 CD GLU A 39 0.974 13.265 3.357 1.00 0.00 C ATOM 653 OE1 GLU A 39 1.544 13.300 2.279 1.00 0.00 O ATOM 654 OE2 GLU A 39 -0.184 13.610 3.528 1.00 0.00 O ATOM 0 H GLU A 39 3.496 15.508 7.031 1.00 0.00 H new ATOM 0 HA GLU A 39 2.563 12.718 7.009 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.740 14.705 5.523 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.171 14.402 4.559 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.490 12.016 4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.086 12.274 5.275 1.00 0.00 H new ATOM 661 N LEU A 40 5.616 13.450 6.349 1.00 0.00 N ATOM 662 CA LEU A 40 6.953 12.877 6.014 1.00 0.00 C ATOM 663 C LEU A 40 7.732 12.687 7.316 1.00 0.00 C ATOM 664 O LEU A 40 8.770 13.276 7.516 1.00 0.00 O ATOM 665 CB LEU A 40 7.711 13.854 5.112 1.00 0.00 C ATOM 666 CG LEU A 40 6.800 14.319 3.966 1.00 0.00 C ATOM 667 CD1 LEU A 40 7.566 15.280 3.037 1.00 0.00 C ATOM 668 CD2 LEU A 40 6.309 13.103 3.168 1.00 0.00 C ATOM 0 H LEU A 40 5.642 14.380 6.768 1.00 0.00 H new ATOM 0 HA LEU A 40 6.837 11.924 5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.047 14.713 5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.602 13.374 4.708 1.00 0.00 H new ATOM 0 HG LEU A 40 5.942 14.844 4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.911 15.603 2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.897 16.149 3.606 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.433 14.768 2.619 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.663 13.437 2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.165 12.569 2.755 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.750 12.438 3.826 1.00 0.00 H new ATOM 680 N SER A 41 7.229 11.881 8.210 1.00 0.00 N ATOM 681 CA SER A 41 7.936 11.675 9.509 1.00 0.00 C ATOM 682 C SER A 41 9.412 11.346 9.262 1.00 0.00 C ATOM 683 O SER A 41 10.293 12.027 9.749 1.00 0.00 O ATOM 684 CB SER A 41 7.279 10.521 10.267 1.00 0.00 C ATOM 685 OG SER A 41 7.437 9.321 9.522 1.00 0.00 O ATOM 0 H SER A 41 6.361 11.357 8.099 1.00 0.00 H new ATOM 0 HA SER A 41 7.870 12.590 10.098 1.00 0.00 H new ATOM 0 HB2 SER A 41 7.732 10.413 11.253 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.221 10.729 10.424 1.00 0.00 H new ATOM 0 HG SER A 41 8.321 8.938 9.702 1.00 0.00 H new ATOM 691 N HIS A 42 9.693 10.310 8.512 1.00 0.00 N ATOM 692 CA HIS A 42 11.120 9.940 8.233 1.00 0.00 C ATOM 693 C HIS A 42 11.267 9.510 6.771 1.00 0.00 C ATOM 694 O HIS A 42 12.338 9.150 6.325 1.00 0.00 O ATOM 695 CB HIS A 42 11.531 8.782 9.146 1.00 0.00 C ATOM 696 CG HIS A 42 10.452 7.733 9.146 1.00 0.00 C ATOM 697 ND1 HIS A 42 9.542 7.609 10.187 1.00 0.00 N ATOM 698 CD2 HIS A 42 10.124 6.753 8.241 1.00 0.00 C ATOM 699 CE1 HIS A 42 8.718 6.588 9.886 1.00 0.00 C ATOM 700 NE2 HIS A 42 9.030 6.035 8.713 1.00 0.00 N ATOM 0 H HIS A 42 8.997 9.702 8.079 1.00 0.00 H new ATOM 0 HA HIS A 42 11.760 10.802 8.421 1.00 0.00 H new ATOM 0 HB2 HIS A 42 12.472 8.351 8.803 1.00 0.00 H new ATOM 0 HB3 HIS A 42 11.698 9.146 10.160 1.00 0.00 H new ATOM 0 HD2 HIS A 42 10.636 6.569 7.308 1.00 0.00 H new ATOM 0 HE1 HIS A 42 7.905 6.258 10.516 1.00 0.00 H new ATOM 0 HE2 HIS A 42 8.564 5.250 8.258 1.00 0.00 H new ATOM 709 N PHE A 43 10.200 9.543 6.024 1.00 0.00 N ATOM 710 CA PHE A 43 10.271 9.134 4.595 1.00 0.00 C ATOM 711 C PHE A 43 11.061 10.175 3.795 1.00 0.00 C ATOM 712 O PHE A 43 11.799 9.844 2.887 1.00 0.00 O ATOM 713 CB PHE A 43 8.844 9.007 4.047 1.00 0.00 C ATOM 714 CG PHE A 43 8.835 8.838 2.536 1.00 0.00 C ATOM 715 CD1 PHE A 43 9.746 7.980 1.893 1.00 0.00 C ATOM 716 CD2 PHE A 43 7.892 9.543 1.772 1.00 0.00 C ATOM 717 CE1 PHE A 43 9.710 7.836 0.501 1.00 0.00 C ATOM 718 CE2 PHE A 43 7.859 9.395 0.382 1.00 0.00 C ATOM 719 CZ PHE A 43 8.768 8.543 -0.254 1.00 0.00 C ATOM 0 H PHE A 43 9.277 9.837 6.344 1.00 0.00 H new ATOM 0 HA PHE A 43 10.780 8.174 4.506 1.00 0.00 H new ATOM 0 HB2 PHE A 43 8.350 8.153 4.512 1.00 0.00 H new ATOM 0 HB3 PHE A 43 8.270 9.893 4.318 1.00 0.00 H new ATOM 0 HD1 PHE A 43 10.473 7.432 2.474 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.189 10.202 2.260 1.00 0.00 H new ATOM 0 HE1 PHE A 43 10.411 7.178 0.009 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.131 9.939 -0.201 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.743 8.431 -1.328 1.00 0.00 H new ATOM 729 N LEU A 44 10.907 11.433 4.126 1.00 0.00 N ATOM 730 CA LEU A 44 11.637 12.515 3.397 1.00 0.00 C ATOM 731 C LEU A 44 12.211 13.488 4.423 1.00 0.00 C ATOM 732 O LEU A 44 11.777 13.533 5.556 1.00 0.00 O ATOM 733 CB LEU A 44 10.659 13.260 2.476 1.00 0.00 C ATOM 734 CG LEU A 44 11.431 14.018 1.374 1.00 0.00 C ATOM 735 CD1 LEU A 44 11.733 13.084 0.194 1.00 0.00 C ATOM 736 CD2 LEU A 44 10.586 15.195 0.873 1.00 0.00 C ATOM 0 H LEU A 44 10.300 11.759 4.878 1.00 0.00 H new ATOM 0 HA LEU A 44 12.440 12.087 2.796 1.00 0.00 H new ATOM 0 HB2 LEU A 44 9.966 12.552 2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 44 10.062 13.961 3.059 1.00 0.00 H new ATOM 0 HG LEU A 44 12.369 14.382 1.793 1.00 0.00 H new ATOM 0 HD11 LEU A 44 12.277 13.633 -0.574 1.00 0.00 H new ATOM 0 HD12 LEU A 44 12.339 12.246 0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.798 12.709 -0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.131 15.730 0.095 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.647 14.821 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.378 15.872 1.701 1.00 0.00 H new ATOM 748 N GLU A 45 13.179 14.266 4.043 1.00 0.00 N ATOM 749 CA GLU A 45 13.762 15.222 5.012 1.00 0.00 C ATOM 750 C GLU A 45 12.669 16.178 5.496 1.00 0.00 C ATOM 751 O GLU A 45 12.160 16.991 4.750 1.00 0.00 O ATOM 752 CB GLU A 45 14.873 16.020 4.322 1.00 0.00 C ATOM 753 CG GLU A 45 15.497 17.016 5.305 1.00 0.00 C ATOM 754 CD GLU A 45 16.175 16.256 6.447 1.00 0.00 C ATOM 755 OE1 GLU A 45 16.444 15.079 6.272 1.00 0.00 O ATOM 756 OE2 GLU A 45 16.414 16.865 7.477 1.00 0.00 O ATOM 0 H GLU A 45 13.589 14.281 3.109 1.00 0.00 H new ATOM 0 HA GLU A 45 14.175 14.682 5.864 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.638 15.341 3.946 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.468 16.552 3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.225 17.643 4.790 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.729 17.680 5.702 1.00 0.00 H new ATOM 763 N GLU A 46 12.318 16.087 6.746 1.00 0.00 N ATOM 764 CA GLU A 46 11.270 16.989 7.305 1.00 0.00 C ATOM 765 C GLU A 46 11.777 18.425 7.319 1.00 0.00 C ATOM 766 O GLU A 46 12.952 18.687 7.150 1.00 0.00 O ATOM 767 CB GLU A 46 10.939 16.575 8.741 1.00 0.00 C ATOM 768 CG GLU A 46 10.073 15.328 8.711 1.00 0.00 C ATOM 769 CD GLU A 46 9.838 14.830 10.138 1.00 0.00 C ATOM 770 OE1 GLU A 46 10.748 14.237 10.695 1.00 0.00 O ATOM 771 OE2 GLU A 46 8.754 15.052 10.651 1.00 0.00 O ATOM 0 H GLU A 46 12.714 15.422 7.411 1.00 0.00 H new ATOM 0 HA GLU A 46 10.379 16.915 6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.856 16.383 9.298 1.00 0.00 H new ATOM 0 HB3 GLU A 46 10.418 17.383 9.255 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.120 15.547 8.230 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.557 14.551 8.119 1.00 0.00 H new ATOM 778 N ILE A 47 10.886 19.356 7.537 1.00 0.00 N ATOM 779 CA ILE A 47 11.278 20.794 7.595 1.00 0.00 C ATOM 780 C ILE A 47 11.230 21.256 9.056 1.00 0.00 C ATOM 781 O ILE A 47 10.269 21.017 9.761 1.00 0.00 O ATOM 782 CB ILE A 47 10.318 21.609 6.727 1.00 0.00 C ATOM 783 CG1 ILE A 47 10.614 21.294 5.252 1.00 0.00 C ATOM 784 CG2 ILE A 47 10.517 23.098 7.013 1.00 0.00 C ATOM 785 CD1 ILE A 47 9.671 22.075 4.339 1.00 0.00 C ATOM 0 H ILE A 47 9.892 19.178 7.679 1.00 0.00 H new ATOM 0 HA ILE A 47 12.290 20.936 7.215 1.00 0.00 H new ATOM 0 HB ILE A 47 9.283 21.352 6.950 1.00 0.00 H new ATOM 0 HG12 ILE A 47 11.648 21.549 5.020 1.00 0.00 H new ATOM 0 HG13 ILE A 47 10.501 20.225 5.072 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.834 23.682 6.396 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.315 23.297 8.065 1.00 0.00 H new ATOM 0 HG23 ILE A 47 11.545 23.379 6.782 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.895 21.840 3.298 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.640 21.799 4.560 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.805 23.144 4.506 1.00 0.00 H new ATOM 797 N LYS A 48 12.282 21.884 9.525 1.00 0.00 N ATOM 798 CA LYS A 48 12.335 22.330 10.954 1.00 0.00 C ATOM 799 C LYS A 48 12.107 23.845 11.043 1.00 0.00 C ATOM 800 O LYS A 48 11.712 24.354 12.073 1.00 0.00 O ATOM 801 CB LYS A 48 13.722 21.976 11.531 1.00 0.00 C ATOM 802 CG LYS A 48 14.243 20.658 10.920 1.00 0.00 C ATOM 803 CD LYS A 48 13.314 19.486 11.267 1.00 0.00 C ATOM 804 CE LYS A 48 13.705 18.267 10.431 1.00 0.00 C ATOM 805 NZ LYS A 48 15.190 18.160 10.362 1.00 0.00 N ATOM 0 H LYS A 48 13.112 22.108 8.976 1.00 0.00 H new ATOM 0 HA LYS A 48 11.554 21.827 11.525 1.00 0.00 H new ATOM 0 HB2 LYS A 48 14.425 22.783 11.323 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.658 21.880 12.615 1.00 0.00 H new ATOM 0 HG2 LYS A 48 14.318 20.759 9.837 1.00 0.00 H new ATOM 0 HG3 LYS A 48 15.247 20.453 11.291 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.387 19.251 12.329 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.277 19.758 11.071 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.286 17.362 10.871 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.290 18.354 9.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.456 17.189 10.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.553 18.821 9.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.598 18.395 11.289 1.00 0.00 H new ATOM 819 N GLU A 49 12.349 24.566 9.975 1.00 0.00 N ATOM 820 CA GLU A 49 12.144 26.052 9.988 1.00 0.00 C ATOM 821 C GLU A 49 11.074 26.432 8.971 1.00 0.00 C ATOM 822 O GLU A 49 11.022 25.903 7.879 1.00 0.00 O ATOM 823 CB GLU A 49 13.451 26.759 9.617 1.00 0.00 C ATOM 824 CG GLU A 49 14.435 26.660 10.779 1.00 0.00 C ATOM 825 CD GLU A 49 15.757 27.323 10.388 1.00 0.00 C ATOM 826 OE1 GLU A 49 15.863 27.766 9.256 1.00 0.00 O ATOM 827 OE2 GLU A 49 16.641 27.375 11.227 1.00 0.00 O ATOM 0 H GLU A 49 12.682 24.188 9.088 1.00 0.00 H new ATOM 0 HA GLU A 49 11.831 26.356 10.987 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.881 26.305 8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.256 27.805 9.381 1.00 0.00 H new ATOM 0 HG2 GLU A 49 14.020 27.145 11.663 1.00 0.00 H new ATOM 0 HG3 GLU A 49 14.603 25.615 11.039 1.00 0.00 H new ATOM 834 N GLN A 50 10.226 27.357 9.317 1.00 0.00 N ATOM 835 CA GLN A 50 9.169 27.784 8.366 1.00 0.00 C ATOM 836 C GLN A 50 9.831 28.479 7.177 1.00 0.00 C ATOM 837 O GLN A 50 9.248 28.605 6.125 1.00 0.00 O ATOM 838 CB GLN A 50 8.188 28.741 9.067 1.00 0.00 C ATOM 839 CG GLN A 50 8.874 30.071 9.416 1.00 0.00 C ATOM 840 CD GLN A 50 10.064 29.813 10.342 1.00 0.00 C ATOM 841 OE1 GLN A 50 9.896 29.633 11.532 1.00 0.00 O ATOM 842 NE2 GLN A 50 11.269 29.780 9.841 1.00 0.00 N ATOM 0 H GLN A 50 10.220 27.835 10.218 1.00 0.00 H new ATOM 0 HA GLN A 50 8.610 26.916 8.016 1.00 0.00 H new ATOM 0 HB2 GLN A 50 7.331 28.928 8.420 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.806 28.275 9.975 1.00 0.00 H new ATOM 0 HG2 GLN A 50 9.211 30.567 8.506 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.164 30.741 9.900 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.410 29.931 8.842 1.00 0.00 H new ATOM 0 HE22 GLN A 50 12.069 29.603 10.448 1.00 0.00 H new ATOM 851 N GLU A 51 11.046 28.939 7.343 1.00 0.00 N ATOM 852 CA GLU A 51 11.749 29.634 6.220 1.00 0.00 C ATOM 853 C GLU A 51 11.896 28.693 5.026 1.00 0.00 C ATOM 854 O GLU A 51 11.734 29.098 3.896 1.00 0.00 O ATOM 855 CB GLU A 51 13.131 30.113 6.693 1.00 0.00 C ATOM 856 CG GLU A 51 14.094 28.916 6.851 1.00 0.00 C ATOM 857 CD GLU A 51 14.859 28.668 5.544 1.00 0.00 C ATOM 858 OE1 GLU A 51 14.398 29.120 4.510 1.00 0.00 O ATOM 859 OE2 GLU A 51 15.895 28.026 5.603 1.00 0.00 O ATOM 0 H GLU A 51 11.582 28.863 8.208 1.00 0.00 H new ATOM 0 HA GLU A 51 11.160 30.497 5.910 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.541 30.825 5.976 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.035 30.638 7.644 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.798 29.112 7.660 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.532 28.023 7.126 1.00 0.00 H new ATOM 866 N VAL A 52 12.194 27.444 5.253 1.00 0.00 N ATOM 867 CA VAL A 52 12.335 26.509 4.106 1.00 0.00 C ATOM 868 C VAL A 52 11.012 26.482 3.375 1.00 0.00 C ATOM 869 O VAL A 52 10.959 26.444 2.170 1.00 0.00 O ATOM 870 CB VAL A 52 12.674 25.100 4.598 1.00 0.00 C ATOM 871 CG1 VAL A 52 12.810 24.162 3.396 1.00 0.00 C ATOM 872 CG2 VAL A 52 13.989 25.123 5.382 1.00 0.00 C ATOM 0 H VAL A 52 12.345 27.034 6.175 1.00 0.00 H new ATOM 0 HA VAL A 52 13.140 26.842 3.451 1.00 0.00 H new ATOM 0 HB VAL A 52 11.877 24.745 5.251 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.052 23.158 3.744 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.870 24.139 2.844 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.605 24.521 2.743 1.00 0.00 H new ATOM 0 HG21 VAL A 52 14.223 24.117 5.729 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.791 25.480 4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.890 25.788 6.240 1.00 0.00 H new ATOM 882 N VAL A 53 9.942 26.504 4.106 1.00 0.00 N ATOM 883 CA VAL A 53 8.606 26.492 3.469 1.00 0.00 C ATOM 884 C VAL A 53 8.429 27.761 2.642 1.00 0.00 C ATOM 885 O VAL A 53 7.831 27.738 1.596 1.00 0.00 O ATOM 886 CB VAL A 53 7.533 26.430 4.546 1.00 0.00 C ATOM 887 CG1 VAL A 53 6.168 26.246 3.894 1.00 0.00 C ATOM 888 CG2 VAL A 53 7.821 25.255 5.470 1.00 0.00 C ATOM 0 H VAL A 53 9.935 26.530 5.126 1.00 0.00 H new ATOM 0 HA VAL A 53 8.517 25.621 2.820 1.00 0.00 H new ATOM 0 HB VAL A 53 7.534 27.356 5.121 1.00 0.00 H new ATOM 0 HG11 VAL A 53 5.399 26.202 4.665 1.00 0.00 H new ATOM 0 HG12 VAL A 53 5.966 27.086 3.229 1.00 0.00 H new ATOM 0 HG13 VAL A 53 6.161 25.319 3.321 1.00 0.00 H new ATOM 0 HG21 VAL A 53 7.056 25.205 6.244 1.00 0.00 H new ATOM 0 HG22 VAL A 53 7.816 24.330 4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 53 8.798 25.388 5.934 1.00 0.00 H new ATOM 898 N ASP A 54 8.930 28.868 3.118 1.00 0.00 N ATOM 899 CA ASP A 54 8.793 30.149 2.366 1.00 0.00 C ATOM 900 C ASP A 54 9.497 30.022 1.013 1.00 0.00 C ATOM 901 O ASP A 54 9.039 30.506 -0.001 1.00 0.00 O ATOM 902 CB ASP A 54 9.415 31.292 3.175 1.00 0.00 C ATOM 903 CG ASP A 54 9.256 32.614 2.415 1.00 0.00 C ATOM 904 OD1 ASP A 54 9.045 32.569 1.215 1.00 0.00 O ATOM 905 OD2 ASP A 54 9.347 33.651 3.051 1.00 0.00 O ATOM 0 H ASP A 54 9.432 28.941 4.003 1.00 0.00 H new ATOM 0 HA ASP A 54 7.737 30.365 2.203 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.934 31.363 4.151 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.471 31.090 3.354 1.00 0.00 H new ATOM 910 N LYS A 55 10.621 29.382 1.004 1.00 0.00 N ATOM 911 CA LYS A 55 11.384 29.207 -0.263 1.00 0.00 C ATOM 912 C LYS A 55 10.591 28.283 -1.181 1.00 0.00 C ATOM 913 O LYS A 55 10.495 28.487 -2.379 1.00 0.00 O ATOM 914 CB LYS A 55 12.751 28.590 0.047 1.00 0.00 C ATOM 915 CG LYS A 55 13.585 28.523 -1.233 1.00 0.00 C ATOM 916 CD LYS A 55 14.950 27.908 -0.923 1.00 0.00 C ATOM 917 CE LYS A 55 15.795 27.875 -2.198 1.00 0.00 C ATOM 918 NZ LYS A 55 15.052 27.153 -3.269 1.00 0.00 N ATOM 0 H LYS A 55 11.055 28.965 1.828 1.00 0.00 H new ATOM 0 HA LYS A 55 11.535 30.170 -0.750 1.00 0.00 H new ATOM 0 HB2 LYS A 55 13.268 29.186 0.799 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.624 27.591 0.463 1.00 0.00 H new ATOM 0 HG2 LYS A 55 13.068 27.927 -1.985 1.00 0.00 H new ATOM 0 HG3 LYS A 55 13.711 29.522 -1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 55 15.457 28.490 -0.153 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.826 26.899 -0.530 1.00 0.00 H new ATOM 0 HE2 LYS A 55 16.024 28.890 -2.521 1.00 0.00 H new ATOM 0 HE3 LYS A 55 16.746 27.380 -2.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.722 26.818 -3.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.552 26.340 -2.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.363 27.797 -3.708 1.00 0.00 H new ATOM 932 N VAL A 56 10.007 27.273 -0.608 1.00 0.00 N ATOM 933 CA VAL A 56 9.195 26.315 -1.401 1.00 0.00 C ATOM 934 C VAL A 56 7.951 27.045 -1.895 1.00 0.00 C ATOM 935 O VAL A 56 7.382 26.723 -2.918 1.00 0.00 O ATOM 936 CB VAL A 56 8.801 25.131 -0.512 1.00 0.00 C ATOM 937 CG1 VAL A 56 7.774 24.253 -1.229 1.00 0.00 C ATOM 938 CG2 VAL A 56 10.046 24.297 -0.204 1.00 0.00 C ATOM 0 H VAL A 56 10.058 27.068 0.390 1.00 0.00 H new ATOM 0 HA VAL A 56 9.762 25.937 -2.252 1.00 0.00 H new ATOM 0 HB VAL A 56 8.365 25.509 0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.501 23.415 -0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.885 24.842 -1.454 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.203 23.875 -2.157 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.771 23.453 0.429 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.476 23.928 -1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 56 10.779 24.915 0.314 1.00 0.00 H new ATOM 948 N MET A 57 7.536 28.040 -1.164 1.00 0.00 N ATOM 949 CA MET A 57 6.334 28.823 -1.568 1.00 0.00 C ATOM 950 C MET A 57 6.655 29.570 -2.859 1.00 0.00 C ATOM 951 O MET A 57 5.849 29.664 -3.745 1.00 0.00 O ATOM 952 CB MET A 57 5.964 29.819 -0.442 1.00 0.00 C ATOM 953 CG MET A 57 4.809 29.285 0.445 1.00 0.00 C ATOM 954 SD MET A 57 3.251 30.071 -0.086 1.00 0.00 S ATOM 955 CE MET A 57 2.147 28.632 -0.140 1.00 0.00 C ATOM 0 H MET A 57 7.980 28.347 -0.299 1.00 0.00 H new ATOM 0 HA MET A 57 5.485 28.160 -1.734 1.00 0.00 H new ATOM 0 HB2 MET A 57 6.840 30.008 0.178 1.00 0.00 H new ATOM 0 HB3 MET A 57 5.673 30.773 -0.882 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.735 28.201 0.356 1.00 0.00 H new ATOM 0 HG3 MET A 57 5.005 29.506 1.494 1.00 0.00 H new ATOM 0 HE1 MET A 57 1.571 28.650 -1.065 1.00 0.00 H new ATOM 0 HE2 MET A 57 2.739 27.718 -0.099 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.467 28.663 0.711 1.00 0.00 H new ATOM 965 N GLU A 58 7.829 30.097 -2.988 1.00 0.00 N ATOM 966 CA GLU A 58 8.149 30.824 -4.239 1.00 0.00 C ATOM 967 C GLU A 58 7.943 29.860 -5.403 1.00 0.00 C ATOM 968 O GLU A 58 7.437 30.223 -6.446 1.00 0.00 O ATOM 969 CB GLU A 58 9.603 31.309 -4.205 1.00 0.00 C ATOM 970 CG GLU A 58 9.917 32.082 -5.488 1.00 0.00 C ATOM 971 CD GLU A 58 11.354 32.604 -5.432 1.00 0.00 C ATOM 972 OE1 GLU A 58 11.958 32.507 -4.376 1.00 0.00 O ATOM 973 OE2 GLU A 58 11.825 33.096 -6.444 1.00 0.00 O ATOM 0 H GLU A 58 8.575 30.059 -2.293 1.00 0.00 H new ATOM 0 HA GLU A 58 7.503 31.695 -4.351 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.764 31.947 -3.336 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.278 30.459 -4.106 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.788 31.435 -6.356 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.221 32.913 -5.604 1.00 0.00 H new ATOM 980 N THR A 59 8.333 28.630 -5.227 1.00 0.00 N ATOM 981 CA THR A 59 8.163 27.632 -6.317 1.00 0.00 C ATOM 982 C THR A 59 6.706 27.150 -6.423 1.00 0.00 C ATOM 983 O THR A 59 6.169 27.030 -7.507 1.00 0.00 O ATOM 984 CB THR A 59 9.070 26.433 -6.033 1.00 0.00 C ATOM 985 OG1 THR A 59 10.391 26.891 -5.780 1.00 0.00 O ATOM 986 CG2 THR A 59 9.081 25.492 -7.237 1.00 0.00 C ATOM 0 H THR A 59 8.763 28.272 -4.374 1.00 0.00 H new ATOM 0 HA THR A 59 8.430 28.106 -7.262 1.00 0.00 H new ATOM 0 HB THR A 59 8.693 25.896 -5.162 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.973 26.125 -5.596 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.729 24.641 -7.028 1.00 0.00 H new ATOM 0 HG22 THR A 59 8.069 25.138 -7.432 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.454 26.025 -8.112 1.00 0.00 H new ATOM 994 N LEU A 60 6.069 26.836 -5.322 1.00 0.00 N ATOM 995 CA LEU A 60 4.662 26.324 -5.392 1.00 0.00 C ATOM 996 C LEU A 60 3.659 27.472 -5.317 1.00 0.00 C ATOM 997 O LEU A 60 2.506 27.311 -5.663 1.00 0.00 O ATOM 998 CB LEU A 60 4.414 25.348 -4.239 1.00 0.00 C ATOM 999 CG LEU A 60 5.539 24.304 -4.181 1.00 0.00 C ATOM 1000 CD1 LEU A 60 5.168 23.220 -3.167 1.00 0.00 C ATOM 1001 CD2 LEU A 60 5.747 23.661 -5.560 1.00 0.00 C ATOM 0 H LEU A 60 6.458 26.911 -4.382 1.00 0.00 H new ATOM 0 HA LEU A 60 4.528 25.812 -6.345 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.363 25.892 -3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.453 24.852 -4.373 1.00 0.00 H new ATOM 0 HG LEU A 60 6.464 24.797 -3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.964 22.476 -3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.037 23.671 -2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.239 22.739 -3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.548 22.924 -5.501 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.826 23.171 -5.876 1.00 0.00 H new ATOM 0 HD23 LEU A 60 6.015 24.431 -6.284 1.00 0.00 H new ATOM 1013 N ASP A 61 4.069 28.635 -4.895 1.00 0.00 N ATOM 1014 CA ASP A 61 3.097 29.768 -4.848 1.00 0.00 C ATOM 1015 C ASP A 61 3.028 30.331 -6.254 1.00 0.00 C ATOM 1016 O ASP A 61 3.408 31.453 -6.524 1.00 0.00 O ATOM 1017 CB ASP A 61 3.545 30.853 -3.863 1.00 0.00 C ATOM 1018 CG ASP A 61 2.389 31.822 -3.624 1.00 0.00 C ATOM 1019 OD1 ASP A 61 1.408 31.733 -4.344 1.00 0.00 O ATOM 1020 OD2 ASP A 61 2.504 32.640 -2.727 1.00 0.00 O ATOM 0 H ASP A 61 5.017 28.851 -4.585 1.00 0.00 H new ATOM 0 HA ASP A 61 2.123 29.420 -4.505 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.856 30.400 -2.922 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.408 31.388 -4.260 1.00 0.00 H new ATOM 1025 N GLU A 62 2.573 29.519 -7.156 1.00 0.00 N ATOM 1026 CA GLU A 62 2.494 29.926 -8.579 1.00 0.00 C ATOM 1027 C GLU A 62 1.587 31.147 -8.726 1.00 0.00 C ATOM 1028 O GLU A 62 1.871 32.053 -9.486 1.00 0.00 O ATOM 1029 CB GLU A 62 1.914 28.763 -9.377 1.00 0.00 C ATOM 1030 CG GLU A 62 2.704 27.488 -9.057 1.00 0.00 C ATOM 1031 CD GLU A 62 2.192 26.336 -9.923 1.00 0.00 C ATOM 1032 OE1 GLU A 62 1.169 26.512 -10.564 1.00 0.00 O ATOM 1033 OE2 GLU A 62 2.829 25.295 -9.927 1.00 0.00 O ATOM 0 H GLU A 62 2.246 28.572 -6.964 1.00 0.00 H new ATOM 0 HA GLU A 62 3.487 30.183 -8.947 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.862 28.625 -9.129 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.964 28.978 -10.444 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.766 27.650 -9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.598 27.238 -8.001 1.00 0.00 H new ATOM 1040 N ASP A 63 0.502 31.185 -8.008 1.00 0.00 N ATOM 1041 CA ASP A 63 -0.416 32.356 -8.113 1.00 0.00 C ATOM 1042 C ASP A 63 0.114 33.492 -7.233 1.00 0.00 C ATOM 1043 O ASP A 63 -0.390 34.597 -7.259 1.00 0.00 O ATOM 1044 CB ASP A 63 -1.817 31.950 -7.655 1.00 0.00 C ATOM 1045 CG ASP A 63 -1.777 31.528 -6.188 1.00 0.00 C ATOM 1046 OD1 ASP A 63 -0.686 31.409 -5.655 1.00 0.00 O ATOM 1047 OD2 ASP A 63 -2.839 31.323 -5.623 1.00 0.00 O ATOM 0 H ASP A 63 0.209 30.459 -7.354 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.465 32.694 -9.148 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -2.508 32.783 -7.785 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.187 31.129 -8.269 1.00 0.00 H new ATOM 1052 N GLY A 64 1.140 33.232 -6.468 1.00 0.00 N ATOM 1053 CA GLY A 64 1.717 34.306 -5.604 1.00 0.00 C ATOM 1054 C GLY A 64 0.687 34.774 -4.570 1.00 0.00 C ATOM 1055 O GLY A 64 0.615 35.946 -4.257 1.00 0.00 O ATOM 0 H GLY A 64 1.603 32.326 -6.403 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.607 33.934 -5.097 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.030 35.148 -6.221 1.00 0.00 H new ATOM 1059 N ASP A 65 -0.108 33.877 -4.031 1.00 0.00 N ATOM 1060 CA ASP A 65 -1.130 34.285 -3.010 1.00 0.00 C ATOM 1061 C ASP A 65 -0.675 33.826 -1.623 1.00 0.00 C ATOM 1062 O ASP A 65 -1.378 33.983 -0.645 1.00 0.00 O ATOM 1063 CB ASP A 65 -2.476 33.639 -3.351 1.00 0.00 C ATOM 1064 CG ASP A 65 -2.375 32.125 -3.184 1.00 0.00 C ATOM 1065 OD1 ASP A 65 -1.262 31.630 -3.147 1.00 0.00 O ATOM 1066 OD2 ASP A 65 -3.411 31.487 -3.100 1.00 0.00 O ATOM 0 H ASP A 65 -0.094 32.882 -4.253 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.238 35.370 -3.014 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.256 34.035 -2.701 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.759 33.884 -4.375 1.00 0.00 H new ATOM 1071 N GLY A 66 0.492 33.249 -1.534 1.00 0.00 N ATOM 1072 CA GLY A 66 0.989 32.768 -0.212 1.00 0.00 C ATOM 1073 C GLY A 66 0.335 31.422 0.105 1.00 0.00 C ATOM 1074 O GLY A 66 0.494 30.874 1.177 1.00 0.00 O ATOM 0 H GLY A 66 1.123 33.089 -2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.074 32.664 -0.233 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.753 33.494 0.566 1.00 0.00 H new ATOM 1078 N GLU A 67 -0.405 30.891 -0.832 1.00 0.00 N ATOM 1079 CA GLU A 67 -1.089 29.582 -0.625 1.00 0.00 C ATOM 1080 C GLU A 67 -0.992 28.771 -1.925 1.00 0.00 C ATOM 1081 O GLU A 67 -1.196 29.295 -3.001 1.00 0.00 O ATOM 1082 CB GLU A 67 -2.561 29.842 -0.295 1.00 0.00 C ATOM 1083 CG GLU A 67 -2.658 30.917 0.792 1.00 0.00 C ATOM 1084 CD GLU A 67 -4.128 31.164 1.137 1.00 0.00 C ATOM 1085 OE1 GLU A 67 -4.977 30.660 0.420 1.00 0.00 O ATOM 1086 OE2 GLU A 67 -4.379 31.853 2.112 1.00 0.00 O ATOM 0 H GLU A 67 -0.566 31.316 -1.745 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.623 29.031 0.192 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.094 30.165 -1.189 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.037 28.922 0.045 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.113 30.600 1.681 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.194 31.841 0.447 1.00 0.00 H new ATOM 1093 N CYS A 68 -0.690 27.498 -1.843 1.00 0.00 N ATOM 1094 CA CYS A 68 -0.587 26.659 -3.084 1.00 0.00 C ATOM 1095 C CYS A 68 -1.865 25.832 -3.225 1.00 0.00 C ATOM 1096 O CYS A 68 -2.286 25.158 -2.314 1.00 0.00 O ATOM 1097 CB CYS A 68 0.647 25.741 -2.995 1.00 0.00 C ATOM 1098 SG CYS A 68 0.993 25.362 -1.259 1.00 0.00 S ATOM 0 H CYS A 68 -0.510 27.001 -0.971 1.00 0.00 H new ATOM 0 HA CYS A 68 -0.473 27.298 -3.960 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.470 24.820 -3.551 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.509 26.228 -3.451 1.00 0.00 H new ATOM 0 HG CYS A 68 1.341 24.114 -1.148 1.00 0.00 H new ATOM 1104 N ASP A 69 -2.481 25.894 -4.366 1.00 0.00 N ATOM 1105 CA ASP A 69 -3.741 25.134 -4.590 1.00 0.00 C ATOM 1106 C ASP A 69 -3.426 23.643 -4.646 1.00 0.00 C ATOM 1107 O ASP A 69 -2.294 23.247 -4.844 1.00 0.00 O ATOM 1108 CB ASP A 69 -4.376 25.573 -5.911 1.00 0.00 C ATOM 1109 CG ASP A 69 -4.879 27.013 -5.784 1.00 0.00 C ATOM 1110 OD1 ASP A 69 -4.991 27.484 -4.664 1.00 0.00 O ATOM 1111 OD2 ASP A 69 -5.139 27.620 -6.809 1.00 0.00 O ATOM 0 H ASP A 69 -2.164 26.444 -5.164 1.00 0.00 H new ATOM 0 HA ASP A 69 -4.436 25.330 -3.774 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.647 25.501 -6.718 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -5.202 24.910 -6.168 1.00 0.00 H new ATOM 1116 N PHE A 70 -4.410 22.806 -4.461 1.00 0.00 N ATOM 1117 CA PHE A 70 -4.142 21.344 -4.494 1.00 0.00 C ATOM 1118 C PHE A 70 -3.399 21.017 -5.794 1.00 0.00 C ATOM 1119 O PHE A 70 -2.554 20.151 -5.831 1.00 0.00 O ATOM 1120 CB PHE A 70 -5.476 20.560 -4.385 1.00 0.00 C ATOM 1121 CG PHE A 70 -6.035 20.203 -5.748 1.00 0.00 C ATOM 1122 CD1 PHE A 70 -6.818 21.118 -6.461 1.00 0.00 C ATOM 1123 CD2 PHE A 70 -5.769 18.939 -6.290 1.00 0.00 C ATOM 1124 CE1 PHE A 70 -7.333 20.767 -7.717 1.00 0.00 C ATOM 1125 CE2 PHE A 70 -6.283 18.588 -7.540 1.00 0.00 C ATOM 1126 CZ PHE A 70 -7.064 19.500 -8.255 1.00 0.00 C ATOM 0 H PHE A 70 -5.380 23.070 -4.290 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.521 21.048 -3.649 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.316 19.649 -3.808 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.205 21.158 -3.839 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.025 22.093 -6.045 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.164 18.234 -5.739 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.936 21.472 -8.270 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.077 17.612 -7.954 1.00 0.00 H new ATOM 0 HZ PHE A 70 -7.461 19.229 -9.222 1.00 0.00 H new ATOM 1136 N GLN A 71 -3.708 21.715 -6.855 1.00 0.00 N ATOM 1137 CA GLN A 71 -3.010 21.462 -8.149 1.00 0.00 C ATOM 1138 C GLN A 71 -1.552 21.938 -8.060 1.00 0.00 C ATOM 1139 O GLN A 71 -0.659 21.323 -8.602 1.00 0.00 O ATOM 1140 CB GLN A 71 -3.731 22.199 -9.284 1.00 0.00 C ATOM 1141 CG GLN A 71 -3.920 23.669 -8.911 1.00 0.00 C ATOM 1142 CD GLN A 71 -4.639 24.398 -10.047 1.00 0.00 C ATOM 1143 OE1 GLN A 71 -4.834 23.847 -11.111 1.00 0.00 O ATOM 1144 NE2 GLN A 71 -5.049 25.624 -9.862 1.00 0.00 N ATOM 0 H GLN A 71 -4.415 22.450 -6.881 1.00 0.00 H new ATOM 0 HA GLN A 71 -3.022 20.392 -8.355 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -3.154 22.120 -10.205 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -4.699 21.735 -9.473 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -4.498 23.750 -7.990 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.952 24.134 -8.722 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.885 26.087 -8.968 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.533 26.118 -10.611 1.00 0.00 H new ATOM 1153 N GLU A 72 -1.293 23.031 -7.393 1.00 0.00 N ATOM 1154 CA GLU A 72 0.117 23.511 -7.297 1.00 0.00 C ATOM 1155 C GLU A 72 0.932 22.508 -6.480 1.00 0.00 C ATOM 1156 O GLU A 72 2.037 22.140 -6.839 1.00 0.00 O ATOM 1157 CB GLU A 72 0.137 24.874 -6.602 1.00 0.00 C ATOM 1158 CG GLU A 72 -0.483 25.930 -7.519 1.00 0.00 C ATOM 1159 CD GLU A 72 -0.498 27.283 -6.805 1.00 0.00 C ATOM 1160 OE1 GLU A 72 0.505 27.973 -6.863 1.00 0.00 O ATOM 1161 OE2 GLU A 72 -1.516 27.606 -6.214 1.00 0.00 O ATOM 0 H GLU A 72 -1.987 23.606 -6.916 1.00 0.00 H new ATOM 0 HA GLU A 72 0.547 23.605 -8.294 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.416 24.823 -5.664 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.161 25.151 -6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 72 0.087 26.002 -8.445 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.498 25.640 -7.791 1.00 0.00 H new ATOM 1168 N PHE A 73 0.382 22.037 -5.398 1.00 0.00 N ATOM 1169 CA PHE A 73 1.107 21.038 -4.575 1.00 0.00 C ATOM 1170 C PHE A 73 1.157 19.725 -5.349 1.00 0.00 C ATOM 1171 O PHE A 73 2.025 18.905 -5.143 1.00 0.00 O ATOM 1172 CB PHE A 73 0.391 20.830 -3.235 1.00 0.00 C ATOM 1173 CG PHE A 73 1.002 19.641 -2.529 1.00 0.00 C ATOM 1174 CD1 PHE A 73 2.151 19.799 -1.744 1.00 0.00 C ATOM 1175 CD2 PHE A 73 0.423 18.376 -2.676 1.00 0.00 C ATOM 1176 CE1 PHE A 73 2.721 18.688 -1.109 1.00 0.00 C ATOM 1177 CE2 PHE A 73 0.990 17.268 -2.040 1.00 0.00 C ATOM 1178 CZ PHE A 73 2.139 17.423 -1.257 1.00 0.00 C ATOM 0 H PHE A 73 -0.539 22.302 -5.049 1.00 0.00 H new ATOM 0 HA PHE A 73 2.117 21.392 -4.369 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.483 21.723 -2.617 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.674 20.664 -3.399 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.597 20.776 -1.628 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.463 18.255 -3.282 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.609 18.807 -0.506 1.00 0.00 H new ATOM 0 HE2 PHE A 73 0.541 16.292 -2.153 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.577 16.567 -0.766 1.00 0.00 H new ATOM 1188 N MET A 74 0.227 19.531 -6.240 1.00 0.00 N ATOM 1189 CA MET A 74 0.198 18.279 -7.039 1.00 0.00 C ATOM 1190 C MET A 74 1.500 18.182 -7.821 1.00 0.00 C ATOM 1191 O MET A 74 2.073 17.120 -7.994 1.00 0.00 O ATOM 1192 CB MET A 74 -0.983 18.312 -8.017 1.00 0.00 C ATOM 1193 CG MET A 74 -1.140 16.948 -8.687 1.00 0.00 C ATOM 1194 SD MET A 74 -1.945 15.808 -7.534 1.00 0.00 S ATOM 1195 CE MET A 74 -0.945 14.345 -7.897 1.00 0.00 C ATOM 0 H MET A 74 -0.520 20.193 -6.450 1.00 0.00 H new ATOM 0 HA MET A 74 0.085 17.419 -6.379 1.00 0.00 H new ATOM 0 HB2 MET A 74 -1.899 18.574 -7.487 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.820 19.081 -8.772 1.00 0.00 H new ATOM 0 HG2 MET A 74 -1.733 17.042 -9.597 1.00 0.00 H new ATOM 0 HG3 MET A 74 -0.165 16.559 -8.980 1.00 0.00 H new ATOM 0 HE1 MET A 74 -1.549 13.448 -7.758 1.00 0.00 H new ATOM 0 HE2 MET A 74 -0.595 14.390 -8.928 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.088 14.314 -7.224 1.00 0.00 H new ATOM 1205 N ALA A 75 1.963 19.283 -8.318 1.00 0.00 N ATOM 1206 CA ALA A 75 3.216 19.256 -9.102 1.00 0.00 C ATOM 1207 C ALA A 75 4.406 18.947 -8.191 1.00 0.00 C ATOM 1208 O ALA A 75 5.346 18.287 -8.586 1.00 0.00 O ATOM 1209 CB ALA A 75 3.411 20.614 -9.786 1.00 0.00 C ATOM 0 H ALA A 75 1.529 20.200 -8.216 1.00 0.00 H new ATOM 0 HA ALA A 75 3.152 18.474 -9.859 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.334 20.600 -10.366 1.00 0.00 H new ATOM 0 HB2 ALA A 75 2.569 20.812 -10.449 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.469 21.397 -9.030 1.00 0.00 H new ATOM 1215 N PHE A 76 4.377 19.422 -6.983 1.00 0.00 N ATOM 1216 CA PHE A 76 5.514 19.162 -6.049 1.00 0.00 C ATOM 1217 C PHE A 76 5.669 17.664 -5.813 1.00 0.00 C ATOM 1218 O PHE A 76 6.760 17.153 -5.726 1.00 0.00 O ATOM 1219 CB PHE A 76 5.252 19.866 -4.715 1.00 0.00 C ATOM 1220 CG PHE A 76 6.439 19.677 -3.795 1.00 0.00 C ATOM 1221 CD1 PHE A 76 7.649 20.324 -4.077 1.00 0.00 C ATOM 1222 CD2 PHE A 76 6.333 18.859 -2.663 1.00 0.00 C ATOM 1223 CE1 PHE A 76 8.750 20.154 -3.230 1.00 0.00 C ATOM 1224 CE2 PHE A 76 7.435 18.689 -1.815 1.00 0.00 C ATOM 1225 CZ PHE A 76 8.643 19.337 -2.099 1.00 0.00 C ATOM 0 H PHE A 76 3.617 19.981 -6.596 1.00 0.00 H new ATOM 0 HA PHE A 76 6.432 19.548 -6.492 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.075 20.928 -4.882 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.352 19.462 -4.251 1.00 0.00 H new ATOM 0 HD1 PHE A 76 7.732 20.955 -4.949 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.401 18.359 -2.444 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.682 20.653 -3.449 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.353 18.058 -0.942 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.493 19.206 -1.445 1.00 0.00 H new ATOM 1235 N VAL A 77 4.584 16.972 -5.684 1.00 0.00 N ATOM 1236 CA VAL A 77 4.643 15.502 -5.421 1.00 0.00 C ATOM 1237 C VAL A 77 5.343 14.791 -6.578 1.00 0.00 C ATOM 1238 O VAL A 77 6.077 13.850 -6.375 1.00 0.00 O ATOM 1239 CB VAL A 77 3.211 14.935 -5.240 1.00 0.00 C ATOM 1240 CG1 VAL A 77 3.176 13.882 -4.123 1.00 0.00 C ATOM 1241 CG2 VAL A 77 2.259 16.071 -4.888 1.00 0.00 C ATOM 0 H VAL A 77 3.642 17.359 -5.749 1.00 0.00 H new ATOM 0 HA VAL A 77 5.209 15.331 -4.505 1.00 0.00 H new ATOM 0 HB VAL A 77 2.905 14.463 -6.174 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.161 13.499 -4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.848 13.062 -4.375 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.494 14.336 -3.185 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.252 15.675 -4.760 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.583 16.544 -3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.260 16.808 -5.691 1.00 0.00 H new ATOM 1251 N SER A 78 5.110 15.209 -7.787 1.00 0.00 N ATOM 1252 CA SER A 78 5.771 14.514 -8.931 1.00 0.00 C ATOM 1253 C SER A 78 7.284 14.696 -8.829 1.00 0.00 C ATOM 1254 O SER A 78 8.053 13.799 -9.114 1.00 0.00 O ATOM 1255 CB SER A 78 5.259 15.087 -10.268 1.00 0.00 C ATOM 1256 OG SER A 78 4.778 16.408 -10.060 1.00 0.00 O ATOM 0 H SER A 78 4.501 15.989 -8.035 1.00 0.00 H new ATOM 0 HA SER A 78 5.531 13.451 -8.893 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.061 15.092 -11.006 1.00 0.00 H new ATOM 0 HB3 SER A 78 4.464 14.457 -10.666 1.00 0.00 H new ATOM 0 HG SER A 78 4.358 16.736 -10.882 1.00 0.00 H new ATOM 1262 N MET A 79 7.713 15.861 -8.455 1.00 0.00 N ATOM 1263 CA MET A 79 9.173 16.125 -8.365 1.00 0.00 C ATOM 1264 C MET A 79 9.820 15.341 -7.220 1.00 0.00 C ATOM 1265 O MET A 79 10.915 14.824 -7.350 1.00 0.00 O ATOM 1266 CB MET A 79 9.368 17.624 -8.134 1.00 0.00 C ATOM 1267 CG MET A 79 9.057 18.403 -9.419 1.00 0.00 C ATOM 1268 SD MET A 79 8.644 20.124 -9.014 1.00 0.00 S ATOM 1269 CE MET A 79 9.953 20.430 -7.800 1.00 0.00 C ATOM 0 H MET A 79 7.114 16.648 -8.206 1.00 0.00 H new ATOM 0 HA MET A 79 9.650 15.804 -9.291 1.00 0.00 H new ATOM 0 HB2 MET A 79 8.717 17.963 -7.328 1.00 0.00 H new ATOM 0 HB3 MET A 79 10.393 17.821 -7.820 1.00 0.00 H new ATOM 0 HG2 MET A 79 9.916 18.374 -10.089 1.00 0.00 H new ATOM 0 HG3 MET A 79 8.226 17.935 -9.946 1.00 0.00 H new ATOM 0 HE1 MET A 79 10.104 21.504 -7.690 1.00 0.00 H new ATOM 0 HE2 MET A 79 9.665 20.004 -6.839 1.00 0.00 H new ATOM 0 HE3 MET A 79 10.879 19.966 -8.139 1.00 0.00 H new ATOM 1279 N VAL A 80 9.168 15.251 -6.103 1.00 0.00 N ATOM 1280 CA VAL A 80 9.768 14.508 -4.961 1.00 0.00 C ATOM 1281 C VAL A 80 9.861 13.025 -5.298 1.00 0.00 C ATOM 1282 O VAL A 80 10.819 12.358 -4.963 1.00 0.00 O ATOM 1283 CB VAL A 80 8.914 14.680 -3.712 1.00 0.00 C ATOM 1284 CG1 VAL A 80 9.561 13.908 -2.562 1.00 0.00 C ATOM 1285 CG2 VAL A 80 8.830 16.161 -3.351 1.00 0.00 C ATOM 0 H VAL A 80 8.249 15.656 -5.927 1.00 0.00 H new ATOM 0 HA VAL A 80 10.765 14.907 -4.775 1.00 0.00 H new ATOM 0 HB VAL A 80 7.909 14.299 -3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.958 14.024 -1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.624 12.852 -2.823 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.563 14.297 -2.380 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.219 16.283 -2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.832 16.547 -3.161 1.00 0.00 H new ATOM 0 HG23 VAL A 80 8.380 16.712 -4.177 1.00 0.00 H new ATOM 1295 N THR A 81 8.868 12.504 -5.954 1.00 0.00 N ATOM 1296 CA THR A 81 8.891 11.061 -6.306 1.00 0.00 C ATOM 1297 C THR A 81 10.100 10.803 -7.173 1.00 0.00 C ATOM 1298 O THR A 81 10.771 9.800 -7.053 1.00 0.00 O ATOM 1299 CB THR A 81 7.644 10.687 -7.100 1.00 0.00 C ATOM 1300 OG1 THR A 81 6.488 10.952 -6.324 1.00 0.00 O ATOM 1301 CG2 THR A 81 7.703 9.198 -7.462 1.00 0.00 C ATOM 0 H THR A 81 8.040 13.014 -6.262 1.00 0.00 H new ATOM 0 HA THR A 81 8.926 10.469 -5.391 1.00 0.00 H new ATOM 0 HB THR A 81 7.599 11.279 -8.014 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.315 11.917 -6.314 1.00 0.00 H new ATOM 0 HG21 THR A 81 6.813 8.926 -8.030 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.591 9.005 -8.064 1.00 0.00 H new ATOM 0 HG23 THR A 81 7.747 8.603 -6.550 1.00 0.00 H new ATOM 1309 N THR A 82 10.371 11.710 -8.055 1.00 0.00 N ATOM 1310 CA THR A 82 11.525 11.546 -8.958 1.00 0.00 C ATOM 1311 C THR A 82 12.761 11.237 -8.108 1.00 0.00 C ATOM 1312 O THR A 82 13.589 10.423 -8.464 1.00 0.00 O ATOM 1313 CB THR A 82 11.700 12.852 -9.753 1.00 0.00 C ATOM 1314 OG1 THR A 82 10.432 13.477 -9.892 1.00 0.00 O ATOM 1315 CG2 THR A 82 12.257 12.554 -11.141 1.00 0.00 C ATOM 0 H THR A 82 9.835 12.567 -8.189 1.00 0.00 H new ATOM 0 HA THR A 82 11.376 10.727 -9.661 1.00 0.00 H new ATOM 0 HB THR A 82 12.393 13.505 -9.222 1.00 0.00 H new ATOM 0 HG1 THR A 82 10.502 14.221 -10.526 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.376 13.486 -11.693 1.00 0.00 H new ATOM 0 HG22 THR A 82 13.225 12.062 -11.047 1.00 0.00 H new ATOM 0 HG23 THR A 82 11.569 11.900 -11.677 1.00 0.00 H new ATOM 1323 N ALA A 83 12.864 11.855 -6.965 1.00 0.00 N ATOM 1324 CA ALA A 83 14.014 11.570 -6.065 1.00 0.00 C ATOM 1325 C ALA A 83 13.926 10.110 -5.608 1.00 0.00 C ATOM 1326 O ALA A 83 14.922 9.429 -5.462 1.00 0.00 O ATOM 1327 CB ALA A 83 13.956 12.495 -4.848 1.00 0.00 C ATOM 0 H ALA A 83 12.200 12.546 -6.615 1.00 0.00 H new ATOM 0 HA ALA A 83 14.952 11.739 -6.593 1.00 0.00 H new ATOM 0 HB1 ALA A 83 14.799 12.284 -4.190 1.00 0.00 H new ATOM 0 HB2 ALA A 83 14.003 13.533 -5.177 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.024 12.328 -4.308 1.00 0.00 H new ATOM 1333 N CYS A 84 12.732 9.631 -5.379 1.00 0.00 N ATOM 1334 CA CYS A 84 12.555 8.221 -4.926 1.00 0.00 C ATOM 1335 C CYS A 84 13.129 7.265 -5.978 1.00 0.00 C ATOM 1336 O CYS A 84 13.731 6.262 -5.651 1.00 0.00 O ATOM 1337 CB CYS A 84 11.061 7.936 -4.731 1.00 0.00 C ATOM 1338 SG CYS A 84 10.856 6.506 -3.641 1.00 0.00 S ATOM 0 H CYS A 84 11.867 10.160 -5.487 1.00 0.00 H new ATOM 0 HA CYS A 84 13.081 8.072 -3.983 1.00 0.00 H new ATOM 0 HB2 CYS A 84 10.567 8.808 -4.302 1.00 0.00 H new ATOM 0 HB3 CYS A 84 10.588 7.743 -5.694 1.00 0.00 H new ATOM 0 HG CYS A 84 9.589 6.266 -3.474 1.00 0.00 H new ATOM 1344 N HIS A 85 12.951 7.567 -7.235 1.00 0.00 N ATOM 1345 CA HIS A 85 13.488 6.672 -8.300 1.00 0.00 C ATOM 1346 C HIS A 85 15.003 6.571 -8.148 1.00 0.00 C ATOM 1347 O HIS A 85 15.584 5.513 -8.291 1.00 0.00 O ATOM 1348 CB HIS A 85 13.150 7.268 -9.669 1.00 0.00 C ATOM 1349 CG HIS A 85 13.746 6.421 -10.758 1.00 0.00 C ATOM 1350 ND1 HIS A 85 14.861 6.828 -11.479 1.00 0.00 N ATOM 1351 CD2 HIS A 85 13.397 5.194 -11.268 1.00 0.00 C ATOM 1352 CE1 HIS A 85 15.140 5.864 -12.375 1.00 0.00 C ATOM 1353 NE2 HIS A 85 14.279 4.849 -12.286 1.00 0.00 N ATOM 0 H HIS A 85 12.457 8.394 -7.571 1.00 0.00 H new ATOM 0 HA HIS A 85 13.045 5.680 -8.214 1.00 0.00 H new ATOM 0 HB2 HIS A 85 12.069 7.326 -9.793 1.00 0.00 H new ATOM 0 HB3 HIS A 85 13.534 8.286 -9.737 1.00 0.00 H new ATOM 0 HD1 HIS A 85 15.375 7.700 -11.352 1.00 0.00 H new ATOM 0 HD2 HIS A 85 12.567 4.591 -10.931 1.00 0.00 H new ATOM 0 HE1 HIS A 85 15.959 5.907 -13.078 1.00 0.00 H new ATOM 1362 N GLU A 86 15.646 7.658 -7.839 1.00 0.00 N ATOM 1363 CA GLU A 86 17.121 7.623 -7.655 1.00 0.00 C ATOM 1364 C GLU A 86 17.455 6.660 -6.514 1.00 0.00 C ATOM 1365 O GLU A 86 18.442 5.954 -6.551 1.00 0.00 O ATOM 1366 CB GLU A 86 17.628 9.025 -7.307 1.00 0.00 C ATOM 1367 CG GLU A 86 17.498 9.936 -8.531 1.00 0.00 C ATOM 1368 CD GLU A 86 18.475 9.484 -9.618 1.00 0.00 C ATOM 1369 OE1 GLU A 86 19.598 9.151 -9.277 1.00 0.00 O ATOM 1370 OE2 GLU A 86 18.084 9.479 -10.774 1.00 0.00 O ATOM 0 H GLU A 86 15.213 8.572 -7.705 1.00 0.00 H new ATOM 0 HA GLU A 86 17.600 7.287 -8.575 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.055 9.434 -6.474 1.00 0.00 H new ATOM 0 HB3 GLU A 86 18.668 8.977 -6.985 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.477 9.906 -8.911 1.00 0.00 H new ATOM 0 HG3 GLU A 86 17.704 10.969 -8.251 1.00 0.00 H new ATOM 1377 N PHE A 87 16.637 6.636 -5.495 1.00 0.00 N ATOM 1378 CA PHE A 87 16.889 5.731 -4.337 1.00 0.00 C ATOM 1379 C PHE A 87 16.227 4.377 -4.592 1.00 0.00 C ATOM 1380 O PHE A 87 16.633 3.369 -4.050 1.00 0.00 O ATOM 1381 CB PHE A 87 16.299 6.352 -3.070 1.00 0.00 C ATOM 1382 CG PHE A 87 16.550 5.440 -1.892 1.00 0.00 C ATOM 1383 CD1 PHE A 87 15.615 4.452 -1.560 1.00 0.00 C ATOM 1384 CD2 PHE A 87 17.717 5.583 -1.130 1.00 0.00 C ATOM 1385 CE1 PHE A 87 15.845 3.609 -0.466 1.00 0.00 C ATOM 1386 CE2 PHE A 87 17.946 4.739 -0.037 1.00 0.00 C ATOM 1387 CZ PHE A 87 17.010 3.752 0.295 1.00 0.00 C ATOM 0 H PHE A 87 15.798 7.210 -5.416 1.00 0.00 H new ATOM 0 HA PHE A 87 17.963 5.593 -4.212 1.00 0.00 H new ATOM 0 HB2 PHE A 87 16.748 7.328 -2.889 1.00 0.00 H new ATOM 0 HB3 PHE A 87 15.228 6.512 -3.197 1.00 0.00 H new ATOM 0 HD1 PHE A 87 14.716 4.340 -2.148 1.00 0.00 H new ATOM 0 HD2 PHE A 87 18.439 6.344 -1.386 1.00 0.00 H new ATOM 0 HE1 PHE A 87 15.123 2.848 -0.210 1.00 0.00 H new ATOM 0 HE2 PHE A 87 18.845 4.849 0.551 1.00 0.00 H new ATOM 0 HZ PHE A 87 17.187 3.101 1.138 1.00 0.00 H new ATOM 1397 N PHE A 88 15.212 4.341 -5.418 1.00 0.00 N ATOM 1398 CA PHE A 88 14.534 3.048 -5.707 1.00 0.00 C ATOM 1399 C PHE A 88 15.227 2.409 -6.911 1.00 0.00 C ATOM 1400 O PHE A 88 14.647 2.235 -7.964 1.00 0.00 O ATOM 1401 CB PHE A 88 13.041 3.307 -6.015 1.00 0.00 C ATOM 1402 CG PHE A 88 12.201 2.108 -5.604 1.00 0.00 C ATOM 1403 CD1 PHE A 88 12.371 0.876 -6.250 1.00 0.00 C ATOM 1404 CD2 PHE A 88 11.259 2.229 -4.570 1.00 0.00 C ATOM 1405 CE1 PHE A 88 11.602 -0.229 -5.867 1.00 0.00 C ATOM 1406 CE2 PHE A 88 10.492 1.122 -4.188 1.00 0.00 C ATOM 1407 CZ PHE A 88 10.663 -0.106 -4.836 1.00 0.00 C ATOM 0 H PHE A 88 14.826 5.152 -5.902 1.00 0.00 H new ATOM 0 HA PHE A 88 14.595 2.378 -4.849 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.702 4.196 -5.484 1.00 0.00 H new ATOM 0 HB3 PHE A 88 12.911 3.503 -7.079 1.00 0.00 H new ATOM 0 HD1 PHE A 88 13.096 0.779 -7.044 1.00 0.00 H new ATOM 0 HD2 PHE A 88 11.126 3.177 -4.069 1.00 0.00 H new ATOM 0 HE1 PHE A 88 11.733 -1.177 -6.367 1.00 0.00 H new ATOM 0 HE2 PHE A 88 9.768 1.216 -3.392 1.00 0.00 H new ATOM 0 HZ PHE A 88 10.070 -0.959 -4.541 1.00 0.00 H new ATOM 1464 N MET B 0 -3.533 6.078 6.013 1.00 0.00 N ATOM 1465 CA MET B 0 -3.177 7.487 6.348 1.00 0.00 C ATOM 1466 C MET B 0 -1.722 7.752 5.952 1.00 0.00 C ATOM 1467 O MET B 0 -0.842 6.965 6.236 1.00 0.00 O ATOM 1468 CB MET B 0 -3.332 7.719 7.856 1.00 0.00 C ATOM 1469 CG MET B 0 -4.779 7.459 8.284 1.00 0.00 C ATOM 1470 SD MET B 0 -5.860 8.728 7.575 1.00 0.00 S ATOM 1471 CE MET B 0 -5.266 10.137 8.548 1.00 0.00 C ATOM 0 H1 MET B 0 -4.356 6.070 5.377 1.00 0.00 H new ATOM 0 H2 MET B 0 -2.727 5.619 5.543 1.00 0.00 H new ATOM 0 H3 MET B 0 -3.765 5.562 6.886 1.00 0.00 H new ATOM 0 HA MET B 0 -3.840 8.161 5.805 1.00 0.00 H new ATOM 0 HB2 MET B 0 -2.659 7.060 8.404 1.00 0.00 H new ATOM 0 HB3 MET B 0 -3.049 8.742 8.105 1.00 0.00 H new ATOM 0 HG2 MET B 0 -5.095 6.470 7.951 1.00 0.00 H new ATOM 0 HG3 MET B 0 -4.855 7.469 9.371 1.00 0.00 H new ATOM 0 HE1 MET B 0 -6.022 10.922 8.550 1.00 0.00 H new ATOM 0 HE2 MET B 0 -5.073 9.817 9.572 1.00 0.00 H new ATOM 0 HE3 MET B 0 -4.345 10.521 8.108 1.00 0.00 H new ATOM 1483 N SER B 1 -1.457 8.858 5.309 1.00 0.00 N ATOM 1484 CA SER B 1 -0.052 9.170 4.914 1.00 0.00 C ATOM 1485 C SER B 1 0.492 8.074 3.986 1.00 0.00 C ATOM 1486 O SER B 1 1.668 7.770 3.996 1.00 0.00 O ATOM 1487 CB SER B 1 0.816 9.252 6.174 1.00 0.00 C ATOM 1488 OG SER B 1 0.069 9.861 7.219 1.00 0.00 O ATOM 0 H SER B 1 -2.150 9.557 5.041 1.00 0.00 H new ATOM 0 HA SER B 1 -0.029 10.123 4.385 1.00 0.00 H new ATOM 0 HB2 SER B 1 1.137 8.255 6.474 1.00 0.00 H new ATOM 0 HB3 SER B 1 1.718 9.830 5.972 1.00 0.00 H new ATOM 0 HG SER B 1 0.620 9.914 8.027 1.00 0.00 H new ATOM 1494 N GLU B 2 -0.350 7.486 3.181 1.00 0.00 N ATOM 1495 CA GLU B 2 0.121 6.417 2.250 1.00 0.00 C ATOM 1496 C GLU B 2 0.862 7.053 1.085 1.00 0.00 C ATOM 1497 O GLU B 2 0.966 6.490 0.013 1.00 0.00 O ATOM 1498 CB GLU B 2 -1.072 5.626 1.739 1.00 0.00 C ATOM 1499 CG GLU B 2 -1.666 4.869 2.915 1.00 0.00 C ATOM 1500 CD GLU B 2 -2.875 4.053 2.453 1.00 0.00 C ATOM 1501 OE1 GLU B 2 -3.302 4.250 1.328 1.00 0.00 O ATOM 1502 OE2 GLU B 2 -3.352 3.246 3.233 1.00 0.00 O ATOM 0 H GLU B 2 -1.346 7.699 3.126 1.00 0.00 H new ATOM 0 HA GLU B 2 0.795 5.742 2.777 1.00 0.00 H new ATOM 0 HB2 GLU B 2 -1.814 6.294 1.301 1.00 0.00 H new ATOM 0 HB3 GLU B 2 -0.764 4.934 0.955 1.00 0.00 H new ATOM 0 HG2 GLU B 2 -0.916 4.209 3.350 1.00 0.00 H new ATOM 0 HG3 GLU B 2 -1.965 5.569 3.695 1.00 0.00 H new ATOM 1509 N LEU B 3 1.374 8.227 1.290 1.00 0.00 N ATOM 1510 CA LEU B 3 2.109 8.915 0.199 1.00 0.00 C ATOM 1511 C LEU B 3 3.296 8.054 -0.223 1.00 0.00 C ATOM 1512 O LEU B 3 3.747 8.119 -1.343 1.00 0.00 O ATOM 1513 CB LEU B 3 2.602 10.282 0.688 1.00 0.00 C ATOM 1514 CG LEU B 3 3.372 11.004 -0.427 1.00 0.00 C ATOM 1515 CD1 LEU B 3 2.477 11.173 -1.669 1.00 0.00 C ATOM 1516 CD2 LEU B 3 3.804 12.382 0.092 1.00 0.00 C ATOM 0 H LEU B 3 1.316 8.743 2.168 1.00 0.00 H new ATOM 0 HA LEU B 3 1.446 9.064 -0.653 1.00 0.00 H new ATOM 0 HB2 LEU B 3 1.754 10.889 1.005 1.00 0.00 H new ATOM 0 HB3 LEU B 3 3.245 10.154 1.558 1.00 0.00 H new ATOM 0 HG LEU B 3 4.246 10.417 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU B 3 3.035 11.686 -2.452 1.00 0.00 H new ATOM 0 HD12 LEU B 3 2.165 10.193 -2.029 1.00 0.00 H new ATOM 0 HD13 LEU B 3 1.597 11.760 -1.406 1.00 0.00 H new ATOM 0 HD21 LEU B 3 4.353 12.909 -0.688 1.00 0.00 H new ATOM 0 HD22 LEU B 3 2.922 12.960 0.368 1.00 0.00 H new ATOM 0 HD23 LEU B 3 4.444 12.258 0.965 1.00 0.00 H new ATOM 1528 N GLU B 4 3.803 7.243 0.661 1.00 0.00 N ATOM 1529 CA GLU B 4 4.957 6.372 0.290 1.00 0.00 C ATOM 1530 C GLU B 4 4.502 5.371 -0.771 1.00 0.00 C ATOM 1531 O GLU B 4 5.218 5.050 -1.699 1.00 0.00 O ATOM 1532 CB GLU B 4 5.420 5.585 1.517 1.00 0.00 C ATOM 1533 CG GLU B 4 6.084 6.516 2.530 1.00 0.00 C ATOM 1534 CD GLU B 4 6.456 5.708 3.776 1.00 0.00 C ATOM 1535 OE1 GLU B 4 6.197 4.516 3.781 1.00 0.00 O ATOM 1536 OE2 GLU B 4 6.996 6.290 4.700 1.00 0.00 O ATOM 0 H GLU B 4 3.472 7.144 1.621 1.00 0.00 H new ATOM 0 HA GLU B 4 5.770 6.992 -0.087 1.00 0.00 H new ATOM 0 HB2 GLU B 4 4.569 5.084 1.978 1.00 0.00 H new ATOM 0 HB3 GLU B 4 6.121 4.807 1.214 1.00 0.00 H new ATOM 0 HG2 GLU B 4 6.974 6.972 2.096 1.00 0.00 H new ATOM 0 HG3 GLU B 4 5.407 7.328 2.796 1.00 0.00 H new ATOM 1543 N LYS B 5 3.319 4.861 -0.609 1.00 0.00 N ATOM 1544 CA LYS B 5 2.777 3.853 -1.559 1.00 0.00 C ATOM 1545 C LYS B 5 2.505 4.485 -2.924 1.00 0.00 C ATOM 1546 O LYS B 5 2.725 3.877 -3.947 1.00 0.00 O ATOM 1547 CB LYS B 5 1.465 3.328 -0.981 1.00 0.00 C ATOM 1548 CG LYS B 5 0.910 2.198 -1.848 1.00 0.00 C ATOM 1549 CD LYS B 5 -0.443 1.749 -1.279 1.00 0.00 C ATOM 1550 CE LYS B 5 -1.523 2.812 -1.552 1.00 0.00 C ATOM 1551 NZ LYS B 5 -2.864 2.160 -1.551 1.00 0.00 N ATOM 0 H LYS B 5 2.691 5.104 0.157 1.00 0.00 H new ATOM 0 HA LYS B 5 3.501 3.049 -1.693 1.00 0.00 H new ATOM 0 HB2 LYS B 5 1.627 2.968 0.035 1.00 0.00 H new ATOM 0 HB3 LYS B 5 0.738 4.138 -0.920 1.00 0.00 H new ATOM 0 HG2 LYS B 5 0.792 2.537 -2.877 1.00 0.00 H new ATOM 0 HG3 LYS B 5 1.607 1.360 -1.866 1.00 0.00 H new ATOM 0 HD2 LYS B 5 -0.736 0.800 -1.729 1.00 0.00 H new ATOM 0 HD3 LYS B 5 -0.355 1.579 -0.206 1.00 0.00 H new ATOM 0 HE2 LYS B 5 -1.484 3.591 -0.791 1.00 0.00 H new ATOM 0 HE3 LYS B 5 -1.341 3.295 -2.512 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 -3.597 2.874 -1.735 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 -2.896 1.431 -2.292 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 -3.035 1.719 -0.625 1.00 0.00 H new ATOM 1565 N ALA B 6 1.992 5.682 -2.947 1.00 0.00 N ATOM 1566 CA ALA B 6 1.675 6.326 -4.252 1.00 0.00 C ATOM 1567 C ALA B 6 2.945 6.704 -5.007 1.00 0.00 C ATOM 1568 O ALA B 6 3.020 6.568 -6.208 1.00 0.00 O ATOM 1569 CB ALA B 6 0.834 7.580 -4.010 1.00 0.00 C ATOM 0 H ALA B 6 1.779 6.242 -2.121 1.00 0.00 H new ATOM 0 HA ALA B 6 1.118 5.612 -4.858 1.00 0.00 H new ATOM 0 HB1 ALA B 6 0.602 8.052 -4.965 1.00 0.00 H new ATOM 0 HB2 ALA B 6 -0.093 7.305 -3.506 1.00 0.00 H new ATOM 0 HB3 ALA B 6 1.393 8.278 -3.387 1.00 0.00 H new ATOM 1575 N MET B 7 3.934 7.190 -4.327 1.00 0.00 N ATOM 1576 CA MET B 7 5.184 7.587 -5.029 1.00 0.00 C ATOM 1577 C MET B 7 5.864 6.352 -5.602 1.00 0.00 C ATOM 1578 O MET B 7 6.395 6.363 -6.697 1.00 0.00 O ATOM 1579 CB MET B 7 6.136 8.276 -4.049 1.00 0.00 C ATOM 1580 CG MET B 7 5.573 9.641 -3.654 1.00 0.00 C ATOM 1581 SD MET B 7 6.851 10.581 -2.783 1.00 0.00 S ATOM 1582 CE MET B 7 6.131 12.221 -3.029 1.00 0.00 C ATOM 0 H MET B 7 3.936 7.331 -3.317 1.00 0.00 H new ATOM 0 HA MET B 7 4.933 8.276 -5.836 1.00 0.00 H new ATOM 0 HB2 MET B 7 6.270 7.657 -3.162 1.00 0.00 H new ATOM 0 HB3 MET B 7 7.119 8.396 -4.505 1.00 0.00 H new ATOM 0 HG2 MET B 7 5.246 10.184 -4.541 1.00 0.00 H new ATOM 0 HG3 MET B 7 4.698 9.516 -3.016 1.00 0.00 H new ATOM 0 HE1 MET B 7 6.699 12.957 -2.460 1.00 0.00 H new ATOM 0 HE2 MET B 7 6.164 12.478 -4.088 1.00 0.00 H new ATOM 0 HE3 MET B 7 5.096 12.219 -2.688 1.00 0.00 H new ATOM 1592 N VAL B 8 5.855 5.289 -4.862 1.00 0.00 N ATOM 1593 CA VAL B 8 6.503 4.038 -5.334 1.00 0.00 C ATOM 1594 C VAL B 8 5.728 3.495 -6.530 1.00 0.00 C ATOM 1595 O VAL B 8 6.292 2.943 -7.448 1.00 0.00 O ATOM 1596 CB VAL B 8 6.508 3.006 -4.204 1.00 0.00 C ATOM 1597 CG1 VAL B 8 6.971 1.651 -4.743 1.00 0.00 C ATOM 1598 CG2 VAL B 8 7.462 3.466 -3.099 1.00 0.00 C ATOM 0 H VAL B 8 5.423 5.229 -3.940 1.00 0.00 H new ATOM 0 HA VAL B 8 7.531 4.244 -5.631 1.00 0.00 H new ATOM 0 HB VAL B 8 5.500 2.908 -3.801 1.00 0.00 H new ATOM 0 HG11 VAL B 8 6.973 0.919 -3.935 1.00 0.00 H new ATOM 0 HG12 VAL B 8 6.292 1.321 -5.530 1.00 0.00 H new ATOM 0 HG13 VAL B 8 7.978 1.746 -5.149 1.00 0.00 H new ATOM 0 HG21 VAL B 8 7.467 2.732 -2.293 1.00 0.00 H new ATOM 0 HG22 VAL B 8 8.469 3.565 -3.505 1.00 0.00 H new ATOM 0 HG23 VAL B 8 7.131 4.429 -2.710 1.00 0.00 H new ATOM 1608 N ALA B 9 4.434 3.622 -6.498 1.00 0.00 N ATOM 1609 CA ALA B 9 3.584 3.095 -7.605 1.00 0.00 C ATOM 1610 C ALA B 9 3.825 3.858 -8.908 1.00 0.00 C ATOM 1611 O ALA B 9 3.847 3.277 -9.971 1.00 0.00 O ATOM 1612 CB ALA B 9 2.117 3.224 -7.220 1.00 0.00 C ATOM 0 H ALA B 9 3.919 4.074 -5.743 1.00 0.00 H new ATOM 0 HA ALA B 9 3.848 2.049 -7.764 1.00 0.00 H new ATOM 0 HB1 ALA B 9 1.494 2.840 -8.027 1.00 0.00 H new ATOM 0 HB2 ALA B 9 1.928 2.652 -6.312 1.00 0.00 H new ATOM 0 HB3 ALA B 9 1.878 4.273 -7.045 1.00 0.00 H new ATOM 1618 N LEU B 10 3.986 5.151 -8.852 1.00 0.00 N ATOM 1619 CA LEU B 10 4.199 5.913 -10.118 1.00 0.00 C ATOM 1620 C LEU B 10 5.460 5.382 -10.787 1.00 0.00 C ATOM 1621 O LEU B 10 5.530 5.228 -11.990 1.00 0.00 O ATOM 1622 CB LEU B 10 4.414 7.398 -9.802 1.00 0.00 C ATOM 1623 CG LEU B 10 3.159 8.019 -9.160 1.00 0.00 C ATOM 1624 CD1 LEU B 10 3.529 9.346 -8.477 1.00 0.00 C ATOM 1625 CD2 LEU B 10 2.108 8.314 -10.236 1.00 0.00 C ATOM 0 H LEU B 10 3.980 5.708 -7.998 1.00 0.00 H new ATOM 0 HA LEU B 10 3.330 5.798 -10.765 1.00 0.00 H new ATOM 0 HB2 LEU B 10 5.263 7.510 -9.128 1.00 0.00 H new ATOM 0 HB3 LEU B 10 4.661 7.935 -10.718 1.00 0.00 H new ATOM 0 HG LEU B 10 2.759 7.314 -8.431 1.00 0.00 H new ATOM 0 HD11 LEU B 10 2.639 9.783 -8.024 1.00 0.00 H new ATOM 0 HD12 LEU B 10 4.276 9.162 -7.705 1.00 0.00 H new ATOM 0 HD13 LEU B 10 3.935 10.036 -9.217 1.00 0.00 H new ATOM 0 HD21 LEU B 10 1.225 8.753 -9.771 1.00 0.00 H new ATOM 0 HD22 LEU B 10 2.519 9.012 -10.965 1.00 0.00 H new ATOM 0 HD23 LEU B 10 1.831 7.387 -10.738 1.00 0.00 H new ATOM 1637 N ILE B 11 6.454 5.103 -10.004 1.00 0.00 N ATOM 1638 CA ILE B 11 7.727 4.578 -10.556 1.00 0.00 C ATOM 1639 C ILE B 11 7.536 3.140 -11.074 1.00 0.00 C ATOM 1640 O ILE B 11 8.123 2.746 -12.062 1.00 0.00 O ATOM 1641 CB ILE B 11 8.798 4.626 -9.458 1.00 0.00 C ATOM 1642 CG1 ILE B 11 9.140 6.096 -9.166 1.00 0.00 C ATOM 1643 CG2 ILE B 11 10.056 3.891 -9.925 1.00 0.00 C ATOM 1644 CD1 ILE B 11 10.018 6.202 -7.912 1.00 0.00 C ATOM 0 H ILE B 11 6.440 5.217 -8.991 1.00 0.00 H new ATOM 0 HA ILE B 11 8.045 5.193 -11.398 1.00 0.00 H new ATOM 0 HB ILE B 11 8.422 4.143 -8.556 1.00 0.00 H new ATOM 0 HG12 ILE B 11 9.660 6.532 -10.019 1.00 0.00 H new ATOM 0 HG13 ILE B 11 8.223 6.668 -9.025 1.00 0.00 H new ATOM 0 HG21 ILE B 11 10.812 3.929 -9.141 1.00 0.00 H new ATOM 0 HG22 ILE B 11 9.811 2.851 -10.142 1.00 0.00 H new ATOM 0 HG23 ILE B 11 10.443 4.368 -10.825 1.00 0.00 H new ATOM 0 HD11 ILE B 11 10.251 7.249 -7.719 1.00 0.00 H new ATOM 0 HD12 ILE B 11 9.484 5.786 -7.058 1.00 0.00 H new ATOM 0 HD13 ILE B 11 10.943 5.647 -8.067 1.00 0.00 H new ATOM 1656 N ASP B 12 6.747 2.343 -10.397 1.00 0.00 N ATOM 1657 CA ASP B 12 6.551 0.923 -10.829 1.00 0.00 C ATOM 1658 C ASP B 12 5.919 0.838 -12.225 1.00 0.00 C ATOM 1659 O ASP B 12 6.316 0.036 -13.049 1.00 0.00 O ATOM 1660 CB ASP B 12 5.620 0.228 -9.831 1.00 0.00 C ATOM 1661 CG ASP B 12 6.344 0.039 -8.497 1.00 0.00 C ATOM 1662 OD1 ASP B 12 7.564 0.030 -8.502 1.00 0.00 O ATOM 1663 OD2 ASP B 12 5.665 -0.088 -7.490 1.00 0.00 O ATOM 0 H ASP B 12 6.229 2.615 -9.562 1.00 0.00 H new ATOM 0 HA ASP B 12 7.528 0.440 -10.863 1.00 0.00 H new ATOM 0 HB2 ASP B 12 4.718 0.823 -9.685 1.00 0.00 H new ATOM 0 HB3 ASP B 12 5.305 -0.738 -10.225 1.00 0.00 H new ATOM 1668 N VAL B 13 4.928 1.639 -12.491 1.00 0.00 N ATOM 1669 CA VAL B 13 4.259 1.581 -13.823 1.00 0.00 C ATOM 1670 C VAL B 13 5.227 2.098 -14.896 1.00 0.00 C ATOM 1671 O VAL B 13 5.321 1.557 -15.987 1.00 0.00 O ATOM 1672 CB VAL B 13 2.938 2.403 -13.757 1.00 0.00 C ATOM 1673 CG1 VAL B 13 3.040 3.723 -14.533 1.00 0.00 C ATOM 1674 CG2 VAL B 13 1.777 1.575 -14.325 1.00 0.00 C ATOM 0 H VAL B 13 4.550 2.332 -11.845 1.00 0.00 H new ATOM 0 HA VAL B 13 3.997 0.557 -14.091 1.00 0.00 H new ATOM 0 HB VAL B 13 2.757 2.640 -12.708 1.00 0.00 H new ATOM 0 HG11 VAL B 13 2.096 4.262 -14.459 1.00 0.00 H new ATOM 0 HG12 VAL B 13 3.840 4.332 -14.112 1.00 0.00 H new ATOM 0 HG13 VAL B 13 3.257 3.513 -15.580 1.00 0.00 H new ATOM 0 HG21 VAL B 13 0.857 2.157 -14.275 1.00 0.00 H new ATOM 0 HG22 VAL B 13 1.988 1.317 -15.363 1.00 0.00 H new ATOM 0 HG23 VAL B 13 1.661 0.662 -13.741 1.00 0.00 H new ATOM 1684 N PHE B 14 5.963 3.124 -14.585 1.00 0.00 N ATOM 1685 CA PHE B 14 6.934 3.660 -15.569 1.00 0.00 C ATOM 1686 C PHE B 14 7.854 2.524 -15.997 1.00 0.00 C ATOM 1687 O PHE B 14 8.221 2.420 -17.138 1.00 0.00 O ATOM 1688 CB PHE B 14 7.757 4.787 -14.921 1.00 0.00 C ATOM 1689 CG PHE B 14 9.005 5.053 -15.738 1.00 0.00 C ATOM 1690 CD1 PHE B 14 10.169 4.319 -15.477 1.00 0.00 C ATOM 1691 CD2 PHE B 14 8.997 6.013 -16.755 1.00 0.00 C ATOM 1692 CE1 PHE B 14 11.325 4.545 -16.230 1.00 0.00 C ATOM 1693 CE2 PHE B 14 10.156 6.237 -17.511 1.00 0.00 C ATOM 1694 CZ PHE B 14 11.319 5.504 -17.248 1.00 0.00 C ATOM 0 H PHE B 14 5.933 3.614 -13.691 1.00 0.00 H new ATOM 0 HA PHE B 14 6.412 4.064 -16.436 1.00 0.00 H new ATOM 0 HB2 PHE B 14 7.157 5.694 -14.853 1.00 0.00 H new ATOM 0 HB3 PHE B 14 8.031 4.509 -13.903 1.00 0.00 H new ATOM 0 HD1 PHE B 14 10.174 3.577 -14.692 1.00 0.00 H new ATOM 0 HD2 PHE B 14 8.100 6.580 -16.957 1.00 0.00 H new ATOM 0 HE1 PHE B 14 12.222 3.979 -16.026 1.00 0.00 H new ATOM 0 HE2 PHE B 14 10.152 6.977 -18.298 1.00 0.00 H new ATOM 0 HZ PHE B 14 12.211 5.679 -17.831 1.00 0.00 H new ATOM 1704 N HIS B 15 8.240 1.686 -15.084 1.00 0.00 N ATOM 1705 CA HIS B 15 9.150 0.563 -15.437 1.00 0.00 C ATOM 1706 C HIS B 15 8.502 -0.341 -16.492 1.00 0.00 C ATOM 1707 O HIS B 15 9.179 -0.899 -17.334 1.00 0.00 O ATOM 1708 CB HIS B 15 9.462 -0.255 -14.181 1.00 0.00 C ATOM 1709 CG HIS B 15 10.393 -1.383 -14.533 1.00 0.00 C ATOM 1710 ND1 HIS B 15 11.722 -1.166 -14.868 1.00 0.00 N ATOM 1711 CD2 HIS B 15 10.204 -2.741 -14.608 1.00 0.00 C ATOM 1712 CE1 HIS B 15 12.277 -2.365 -15.127 1.00 0.00 C ATOM 1713 NE2 HIS B 15 11.394 -3.354 -14.983 1.00 0.00 N ATOM 0 H HIS B 15 7.965 1.728 -14.103 1.00 0.00 H new ATOM 0 HA HIS B 15 10.073 0.973 -15.847 1.00 0.00 H new ATOM 0 HB2 HIS B 15 9.917 0.383 -13.423 1.00 0.00 H new ATOM 0 HB3 HIS B 15 8.540 -0.650 -13.754 1.00 0.00 H new ATOM 0 HD2 HIS B 15 9.275 -3.253 -14.407 1.00 0.00 H new ATOM 0 HE1 HIS B 15 13.308 -2.508 -15.415 1.00 0.00 H new ATOM 0 HE2 HIS B 15 11.558 -4.352 -15.119 1.00 0.00 H new ATOM 1722 N GLN B 16 7.209 -0.520 -16.445 1.00 0.00 N ATOM 1723 CA GLN B 16 6.552 -1.422 -17.436 1.00 0.00 C ATOM 1724 C GLN B 16 6.780 -0.934 -18.873 1.00 0.00 C ATOM 1725 O GLN B 16 6.976 -1.729 -19.771 1.00 0.00 O ATOM 1726 CB GLN B 16 5.044 -1.441 -17.173 1.00 0.00 C ATOM 1727 CG GLN B 16 4.751 -2.176 -15.868 1.00 0.00 C ATOM 1728 CD GLN B 16 3.263 -2.053 -15.540 1.00 0.00 C ATOM 1729 OE1 GLN B 16 2.430 -2.085 -16.423 1.00 0.00 O ATOM 1730 NE2 GLN B 16 2.891 -1.915 -14.297 1.00 0.00 N ATOM 0 H GLN B 16 6.582 -0.084 -15.768 1.00 0.00 H new ATOM 0 HA GLN B 16 6.985 -2.416 -17.326 1.00 0.00 H new ATOM 0 HB2 GLN B 16 4.663 -0.421 -17.119 1.00 0.00 H new ATOM 0 HB3 GLN B 16 4.529 -1.930 -17.999 1.00 0.00 H new ATOM 0 HG2 GLN B 16 5.029 -3.226 -15.959 1.00 0.00 H new ATOM 0 HG3 GLN B 16 5.349 -1.756 -15.059 1.00 0.00 H new ATOM 0 HE21 GLN B 16 3.591 -1.888 -13.555 1.00 0.00 H new ATOM 0 HE22 GLN B 16 1.901 -1.834 -14.067 1.00 0.00 H new ATOM 1739 N TYR B 17 6.724 0.350 -19.115 1.00 0.00 N ATOM 1740 CA TYR B 17 6.902 0.853 -20.524 1.00 0.00 C ATOM 1741 C TYR B 17 8.355 1.237 -20.823 1.00 0.00 C ATOM 1742 O TYR B 17 8.776 1.239 -21.963 1.00 0.00 O ATOM 1743 CB TYR B 17 5.992 2.066 -20.731 1.00 0.00 C ATOM 1744 CG TYR B 17 4.575 1.579 -20.882 1.00 0.00 C ATOM 1745 CD1 TYR B 17 3.801 1.323 -19.747 1.00 0.00 C ATOM 1746 CD2 TYR B 17 4.048 1.360 -22.158 1.00 0.00 C ATOM 1747 CE1 TYR B 17 2.495 0.848 -19.887 1.00 0.00 C ATOM 1748 CE2 TYR B 17 2.742 0.889 -22.304 1.00 0.00 C ATOM 1749 CZ TYR B 17 1.961 0.631 -21.167 1.00 0.00 C ATOM 1750 OH TYR B 17 0.671 0.160 -21.309 1.00 0.00 O ATOM 0 H TYR B 17 6.565 1.071 -18.411 1.00 0.00 H new ATOM 0 HA TYR B 17 6.635 0.049 -21.210 1.00 0.00 H new ATOM 0 HB2 TYR B 17 6.070 2.747 -19.884 1.00 0.00 H new ATOM 0 HB3 TYR B 17 6.298 2.622 -21.617 1.00 0.00 H new ATOM 0 HD1 TYR B 17 4.212 1.492 -18.763 1.00 0.00 H new ATOM 0 HD2 TYR B 17 4.652 1.555 -23.032 1.00 0.00 H new ATOM 0 HE1 TYR B 17 1.896 0.648 -19.011 1.00 0.00 H new ATOM 0 HE2 TYR B 17 2.334 0.724 -23.290 1.00 0.00 H new ATOM 0 HH TYR B 17 0.271 0.030 -20.424 1.00 0.00 H new ATOM 1760 N SER B 18 9.120 1.572 -19.833 1.00 0.00 N ATOM 1761 CA SER B 18 10.530 1.963 -20.096 1.00 0.00 C ATOM 1762 C SER B 18 11.264 0.795 -20.756 1.00 0.00 C ATOM 1763 O SER B 18 12.055 0.975 -21.661 1.00 0.00 O ATOM 1764 CB SER B 18 11.209 2.318 -18.771 1.00 0.00 C ATOM 1765 OG SER B 18 11.693 1.129 -18.158 1.00 0.00 O ATOM 0 H SER B 18 8.835 1.593 -18.854 1.00 0.00 H new ATOM 0 HA SER B 18 10.557 2.827 -20.760 1.00 0.00 H new ATOM 0 HB2 SER B 18 12.031 3.012 -18.945 1.00 0.00 H new ATOM 0 HB3 SER B 18 10.503 2.820 -18.110 1.00 0.00 H new ATOM 0 HG SER B 18 10.937 0.551 -17.924 1.00 0.00 H new ATOM 1771 N GLY B 19 11.003 -0.404 -20.310 1.00 0.00 N ATOM 1772 CA GLY B 19 11.680 -1.597 -20.906 1.00 0.00 C ATOM 1773 C GLY B 19 10.923 -2.080 -22.149 1.00 0.00 C ATOM 1774 O GLY B 19 11.189 -3.147 -22.666 1.00 0.00 O ATOM 0 H GLY B 19 10.348 -0.612 -19.556 1.00 0.00 H new ATOM 0 HA2 GLY B 19 12.706 -1.344 -21.173 1.00 0.00 H new ATOM 0 HA3 GLY B 19 11.731 -2.399 -20.170 1.00 0.00 H new ATOM 1778 N ARG B 20 9.961 -1.332 -22.616 1.00 0.00 N ATOM 1779 CA ARG B 20 9.176 -1.789 -23.803 1.00 0.00 C ATOM 1780 C ARG B 20 10.077 -1.990 -25.026 1.00 0.00 C ATOM 1781 O ARG B 20 10.022 -3.014 -25.678 1.00 0.00 O ATOM 1782 CB ARG B 20 8.103 -0.742 -24.126 1.00 0.00 C ATOM 1783 CG ARG B 20 7.283 -1.170 -25.353 1.00 0.00 C ATOM 1784 CD ARG B 20 6.641 -2.537 -25.108 1.00 0.00 C ATOM 1785 NE ARG B 20 5.461 -2.692 -26.006 1.00 0.00 N ATOM 1786 CZ ARG B 20 4.896 -3.860 -26.152 1.00 0.00 C ATOM 1787 NH1 ARG B 20 5.343 -4.889 -25.486 1.00 0.00 N ATOM 1788 NH2 ARG B 20 3.879 -3.996 -26.958 1.00 0.00 N ATOM 0 H ARG B 20 9.684 -0.429 -22.231 1.00 0.00 H new ATOM 0 HA ARG B 20 8.714 -2.747 -23.563 1.00 0.00 H new ATOM 0 HB2 ARG B 20 7.443 -0.613 -23.268 1.00 0.00 H new ATOM 0 HB3 ARG B 20 8.574 0.223 -24.315 1.00 0.00 H new ATOM 0 HG2 ARG B 20 6.511 -0.429 -25.560 1.00 0.00 H new ATOM 0 HG3 ARG B 20 7.926 -1.214 -26.232 1.00 0.00 H new ATOM 0 HD2 ARG B 20 7.364 -3.331 -25.297 1.00 0.00 H new ATOM 0 HD3 ARG B 20 6.334 -2.627 -24.066 1.00 0.00 H new ATOM 0 HE ARG B 20 5.094 -1.883 -26.508 1.00 0.00 H new ATOM 0 HH11 ARG B 20 6.134 -4.781 -24.851 1.00 0.00 H new ATOM 0 HH12 ARG B 20 4.901 -5.801 -25.600 1.00 0.00 H new ATOM 0 HH21 ARG B 20 3.526 -3.190 -27.474 1.00 0.00 H new ATOM 0 HH22 ARG B 20 3.437 -4.908 -27.072 1.00 0.00 H new ATOM 1802 N GLU B 21 10.894 -1.021 -25.349 1.00 0.00 N ATOM 1803 CA GLU B 21 11.798 -1.143 -26.546 1.00 0.00 C ATOM 1804 C GLU B 21 13.258 -1.221 -26.097 1.00 0.00 C ATOM 1805 O GLU B 21 14.130 -1.549 -26.877 1.00 0.00 O ATOM 1806 CB GLU B 21 11.623 0.078 -27.454 1.00 0.00 C ATOM 1807 CG GLU B 21 10.171 0.173 -27.932 1.00 0.00 C ATOM 1808 CD GLU B 21 9.817 -1.062 -28.762 1.00 0.00 C ATOM 1809 OE1 GLU B 21 10.718 -1.631 -29.355 1.00 0.00 O ATOM 1810 OE2 GLU B 21 8.650 -1.419 -28.789 1.00 0.00 O ATOM 0 H GLU B 21 10.979 -0.143 -24.836 1.00 0.00 H new ATOM 0 HA GLU B 21 11.535 -2.050 -27.090 1.00 0.00 H new ATOM 0 HB2 GLU B 21 11.897 0.985 -26.914 1.00 0.00 H new ATOM 0 HB3 GLU B 21 12.292 0.003 -28.311 1.00 0.00 H new ATOM 0 HG2 GLU B 21 9.501 0.251 -27.076 1.00 0.00 H new ATOM 0 HG3 GLU B 21 10.033 1.075 -28.528 1.00 0.00 H new ATOM 1817 N GLY B 22 13.534 -0.931 -24.847 1.00 0.00 N ATOM 1818 CA GLY B 22 14.946 -0.997 -24.340 1.00 0.00 C ATOM 1819 C GLY B 22 15.365 0.347 -23.738 1.00 0.00 C ATOM 1820 O GLY B 22 16.288 0.412 -22.951 1.00 0.00 O ATOM 0 H GLY B 22 12.841 -0.650 -24.153 1.00 0.00 H new ATOM 0 HA2 GLY B 22 15.032 -1.781 -23.588 1.00 0.00 H new ATOM 0 HA3 GLY B 22 15.619 -1.262 -25.155 1.00 0.00 H new ATOM 1824 N ASP B 23 14.707 1.425 -24.081 1.00 0.00 N ATOM 1825 CA ASP B 23 15.109 2.730 -23.490 1.00 0.00 C ATOM 1826 C ASP B 23 14.665 2.754 -22.030 1.00 0.00 C ATOM 1827 O ASP B 23 13.848 3.554 -21.624 1.00 0.00 O ATOM 1828 CB ASP B 23 14.446 3.877 -24.252 1.00 0.00 C ATOM 1829 CG ASP B 23 14.661 3.684 -25.754 1.00 0.00 C ATOM 1830 OD1 ASP B 23 15.720 3.206 -26.124 1.00 0.00 O ATOM 1831 OD2 ASP B 23 13.762 4.017 -26.507 1.00 0.00 O ATOM 0 H ASP B 23 13.923 1.456 -24.733 1.00 0.00 H new ATOM 0 HA ASP B 23 16.190 2.850 -23.556 1.00 0.00 H new ATOM 0 HB2 ASP B 23 13.380 3.908 -24.028 1.00 0.00 H new ATOM 0 HB3 ASP B 23 14.867 4.831 -23.933 1.00 0.00 H new ATOM 1836 N LYS B 24 15.194 1.866 -21.241 1.00 0.00 N ATOM 1837 CA LYS B 24 14.809 1.809 -19.806 1.00 0.00 C ATOM 1838 C LYS B 24 15.144 3.137 -19.116 1.00 0.00 C ATOM 1839 O LYS B 24 14.420 3.597 -18.255 1.00 0.00 O ATOM 1840 CB LYS B 24 15.560 0.664 -19.123 1.00 0.00 C ATOM 1841 CG LYS B 24 15.110 0.560 -17.664 1.00 0.00 C ATOM 1842 CD LYS B 24 15.661 -0.727 -17.043 1.00 0.00 C ATOM 1843 CE LYS B 24 17.192 -0.716 -17.079 1.00 0.00 C ATOM 1844 NZ LYS B 24 17.714 -1.691 -16.081 1.00 0.00 N ATOM 0 H LYS B 24 15.882 1.171 -21.530 1.00 0.00 H new ATOM 0 HA LYS B 24 13.736 1.636 -19.730 1.00 0.00 H new ATOM 0 HB2 LYS B 24 15.366 -0.274 -19.643 1.00 0.00 H new ATOM 0 HB3 LYS B 24 16.635 0.839 -19.172 1.00 0.00 H new ATOM 0 HG2 LYS B 24 15.462 1.425 -17.103 1.00 0.00 H new ATOM 0 HG3 LYS B 24 14.021 0.565 -17.608 1.00 0.00 H new ATOM 0 HD2 LYS B 24 15.314 -0.821 -16.014 1.00 0.00 H new ATOM 0 HD3 LYS B 24 15.283 -1.593 -17.587 1.00 0.00 H new ATOM 0 HE2 LYS B 24 17.546 -0.975 -18.077 1.00 0.00 H new ATOM 0 HE3 LYS B 24 17.565 0.284 -16.858 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 18.754 -1.687 -16.102 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 17.386 -1.424 -15.131 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 17.367 -2.644 -16.312 1.00 0.00 H new ATOM 1858 N HIS B 25 16.249 3.739 -19.463 1.00 0.00 N ATOM 1859 CA HIS B 25 16.648 5.017 -18.801 1.00 0.00 C ATOM 1860 C HIS B 25 15.833 6.204 -19.334 1.00 0.00 C ATOM 1861 O HIS B 25 15.733 7.225 -18.683 1.00 0.00 O ATOM 1862 CB HIS B 25 18.131 5.281 -19.071 1.00 0.00 C ATOM 1863 CG HIS B 25 18.966 4.239 -18.382 1.00 0.00 C ATOM 1864 ND1 HIS B 25 19.162 4.236 -17.007 1.00 0.00 N ATOM 1865 CD2 HIS B 25 19.671 3.164 -18.864 1.00 0.00 C ATOM 1866 CE1 HIS B 25 19.956 3.189 -16.713 1.00 0.00 C ATOM 1867 NE2 HIS B 25 20.292 2.506 -17.808 1.00 0.00 N ATOM 0 H HIS B 25 16.894 3.402 -20.177 1.00 0.00 H new ATOM 0 HA HIS B 25 16.459 4.918 -17.732 1.00 0.00 H new ATOM 0 HB2 HIS B 25 18.324 5.264 -20.144 1.00 0.00 H new ATOM 0 HB3 HIS B 25 18.404 6.274 -18.714 1.00 0.00 H new ATOM 0 HD2 HIS B 25 19.734 2.874 -19.903 1.00 0.00 H new ATOM 0 HE1 HIS B 25 20.280 2.934 -15.715 1.00 0.00 H new ATOM 0 HE2 HIS B 25 20.881 1.675 -17.860 1.00 0.00 H new ATOM 1876 N LYS B 26 15.262 6.104 -20.509 1.00 0.00 N ATOM 1877 CA LYS B 26 14.481 7.265 -21.049 1.00 0.00 C ATOM 1878 C LYS B 26 13.328 6.784 -21.931 1.00 0.00 C ATOM 1879 O LYS B 26 13.318 5.678 -22.427 1.00 0.00 O ATOM 1880 CB LYS B 26 15.414 8.155 -21.871 1.00 0.00 C ATOM 1881 CG LYS B 26 15.991 7.351 -23.035 1.00 0.00 C ATOM 1882 CD LYS B 26 17.070 8.174 -23.741 1.00 0.00 C ATOM 1883 CE LYS B 26 17.584 7.405 -24.959 1.00 0.00 C ATOM 1884 NZ LYS B 26 18.524 8.268 -25.728 1.00 0.00 N ATOM 0 H LYS B 26 15.300 5.282 -21.112 1.00 0.00 H new ATOM 0 HA LYS B 26 14.063 7.826 -20.213 1.00 0.00 H new ATOM 0 HB2 LYS B 26 14.869 9.021 -22.248 1.00 0.00 H new ATOM 0 HB3 LYS B 26 16.220 8.534 -21.242 1.00 0.00 H new ATOM 0 HG2 LYS B 26 16.414 6.415 -22.670 1.00 0.00 H new ATOM 0 HG3 LYS B 26 15.200 7.090 -23.738 1.00 0.00 H new ATOM 0 HD2 LYS B 26 16.663 9.137 -24.051 1.00 0.00 H new ATOM 0 HD3 LYS B 26 17.892 8.381 -23.055 1.00 0.00 H new ATOM 0 HE2 LYS B 26 18.088 6.493 -24.641 1.00 0.00 H new ATOM 0 HE3 LYS B 26 16.749 7.104 -25.592 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 19.028 7.691 -26.432 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 17.990 9.018 -26.212 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 19.212 8.698 -25.077 1.00 0.00 H new ATOM 1898 N LEU B 27 12.354 7.631 -22.120 1.00 0.00 N ATOM 1899 CA LEU B 27 11.167 7.282 -22.959 1.00 0.00 C ATOM 1900 C LEU B 27 11.223 8.048 -24.280 1.00 0.00 C ATOM 1901 O LEU B 27 11.507 9.225 -24.306 1.00 0.00 O ATOM 1902 CB LEU B 27 9.891 7.702 -22.210 1.00 0.00 C ATOM 1903 CG LEU B 27 9.512 6.665 -21.142 1.00 0.00 C ATOM 1904 CD1 LEU B 27 8.438 7.269 -20.231 1.00 0.00 C ATOM 1905 CD2 LEU B 27 8.952 5.388 -21.803 1.00 0.00 C ATOM 0 H LEU B 27 12.328 8.569 -21.721 1.00 0.00 H new ATOM 0 HA LEU B 27 11.166 6.210 -23.154 1.00 0.00 H new ATOM 0 HB2 LEU B 27 10.044 8.674 -21.740 1.00 0.00 H new ATOM 0 HB3 LEU B 27 9.070 7.816 -22.918 1.00 0.00 H new ATOM 0 HG LEU B 27 10.400 6.402 -20.567 1.00 0.00 H new ATOM 0 HD11 LEU B 27 8.159 6.543 -19.467 1.00 0.00 H new ATOM 0 HD12 LEU B 27 8.829 8.167 -19.753 1.00 0.00 H new ATOM 0 HD13 LEU B 27 7.561 7.527 -20.824 1.00 0.00 H new ATOM 0 HD21 LEU B 27 8.689 4.664 -21.031 1.00 0.00 H new ATOM 0 HD22 LEU B 27 8.064 5.638 -22.384 1.00 0.00 H new ATOM 0 HD23 LEU B 27 9.707 4.958 -22.461 1.00 0.00 H new ATOM 1917 N LYS B 28 10.916 7.401 -25.372 1.00 0.00 N ATOM 1918 CA LYS B 28 10.906 8.108 -26.683 1.00 0.00 C ATOM 1919 C LYS B 28 9.458 8.493 -26.972 1.00 0.00 C ATOM 1920 O LYS B 28 8.547 7.846 -26.495 1.00 0.00 O ATOM 1921 CB LYS B 28 11.397 7.164 -27.787 1.00 0.00 C ATOM 1922 CG LYS B 28 12.890 6.878 -27.608 1.00 0.00 C ATOM 1923 CD LYS B 28 13.329 5.738 -28.541 1.00 0.00 C ATOM 1924 CE LYS B 28 13.313 6.200 -30.003 1.00 0.00 C ATOM 1925 NZ LYS B 28 14.085 7.467 -30.139 1.00 0.00 N ATOM 0 H LYS B 28 10.671 6.412 -25.412 1.00 0.00 H new ATOM 0 HA LYS B 28 11.555 8.983 -26.652 1.00 0.00 H new ATOM 0 HB2 LYS B 28 10.834 6.231 -27.756 1.00 0.00 H new ATOM 0 HB3 LYS B 28 11.219 7.612 -28.765 1.00 0.00 H new ATOM 0 HG2 LYS B 28 13.468 7.777 -27.823 1.00 0.00 H new ATOM 0 HG3 LYS B 28 13.094 6.608 -26.572 1.00 0.00 H new ATOM 0 HD2 LYS B 28 14.331 5.405 -28.270 1.00 0.00 H new ATOM 0 HD3 LYS B 28 12.664 4.883 -28.417 1.00 0.00 H new ATOM 0 HE2 LYS B 28 13.744 5.430 -30.642 1.00 0.00 H new ATOM 0 HE3 LYS B 28 12.286 6.351 -30.335 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 14.641 7.442 -31.017 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 13.428 8.273 -30.168 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 14.726 7.572 -29.326 1.00 0.00 H new ATOM 1939 N LYS B 29 9.215 9.521 -27.747 1.00 0.00 N ATOM 1940 CA LYS B 29 7.796 9.886 -28.043 1.00 0.00 C ATOM 1941 C LYS B 29 7.076 8.616 -28.482 1.00 0.00 C ATOM 1942 O LYS B 29 5.871 8.488 -28.389 1.00 0.00 O ATOM 1943 CB LYS B 29 7.739 10.929 -29.173 1.00 0.00 C ATOM 1944 CG LYS B 29 8.144 10.306 -30.523 1.00 0.00 C ATOM 1945 CD LYS B 29 8.210 11.400 -31.608 1.00 0.00 C ATOM 1946 CE LYS B 29 9.584 12.080 -31.597 1.00 0.00 C ATOM 1947 NZ LYS B 29 10.644 11.059 -31.828 1.00 0.00 N ATOM 0 H LYS B 29 9.923 10.113 -28.180 1.00 0.00 H new ATOM 0 HA LYS B 29 7.324 10.314 -27.159 1.00 0.00 H new ATOM 0 HB2 LYS B 29 6.731 11.337 -29.245 1.00 0.00 H new ATOM 0 HB3 LYS B 29 8.404 11.761 -28.939 1.00 0.00 H new ATOM 0 HG2 LYS B 29 9.113 9.815 -30.431 1.00 0.00 H new ATOM 0 HG3 LYS B 29 7.424 9.540 -30.810 1.00 0.00 H new ATOM 0 HD2 LYS B 29 8.022 10.961 -32.588 1.00 0.00 H new ATOM 0 HD3 LYS B 29 7.429 12.141 -31.435 1.00 0.00 H new ATOM 0 HE2 LYS B 29 9.628 12.847 -32.370 1.00 0.00 H new ATOM 0 HE3 LYS B 29 9.747 12.580 -30.642 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 11.445 11.497 -32.327 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 10.969 10.683 -30.914 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 10.259 10.283 -32.404 1.00 0.00 H new ATOM 1961 N SER B 30 7.839 7.676 -28.956 1.00 0.00 N ATOM 1962 CA SER B 30 7.256 6.384 -29.412 1.00 0.00 C ATOM 1963 C SER B 30 6.900 5.527 -28.196 1.00 0.00 C ATOM 1964 O SER B 30 5.817 4.985 -28.104 1.00 0.00 O ATOM 1965 CB SER B 30 8.275 5.644 -30.280 1.00 0.00 C ATOM 1966 OG SER B 30 9.374 5.240 -29.473 1.00 0.00 O ATOM 0 H SER B 30 8.852 7.746 -29.049 1.00 0.00 H new ATOM 0 HA SER B 30 6.355 6.577 -29.995 1.00 0.00 H new ATOM 0 HB2 SER B 30 7.811 4.774 -30.744 1.00 0.00 H new ATOM 0 HB3 SER B 30 8.620 6.290 -31.087 1.00 0.00 H new ATOM 0 HG SER B 30 10.028 4.764 -30.026 1.00 0.00 H new ATOM 1972 N GLU B 31 7.798 5.411 -27.252 1.00 0.00 N ATOM 1973 CA GLU B 31 7.497 4.601 -26.042 1.00 0.00 C ATOM 1974 C GLU B 31 6.429 5.330 -25.234 1.00 0.00 C ATOM 1975 O GLU B 31 5.563 4.726 -24.632 1.00 0.00 O ATOM 1976 CB GLU B 31 8.757 4.442 -25.196 1.00 0.00 C ATOM 1977 CG GLU B 31 9.756 3.547 -25.924 1.00 0.00 C ATOM 1978 CD GLU B 31 11.009 3.399 -25.064 1.00 0.00 C ATOM 1979 OE1 GLU B 31 10.987 3.864 -23.936 1.00 0.00 O ATOM 1980 OE2 GLU B 31 11.970 2.830 -25.547 1.00 0.00 O ATOM 0 H GLU B 31 8.722 5.842 -27.269 1.00 0.00 H new ATOM 0 HA GLU B 31 7.144 3.612 -26.333 1.00 0.00 H new ATOM 0 HB2 GLU B 31 9.202 5.418 -25.002 1.00 0.00 H new ATOM 0 HB3 GLU B 31 8.504 4.009 -24.228 1.00 0.00 H new ATOM 0 HG2 GLU B 31 9.314 2.569 -26.117 1.00 0.00 H new ATOM 0 HG3 GLU B 31 10.012 3.978 -26.892 1.00 0.00 H new ATOM 1987 N LEU B 32 6.484 6.634 -25.225 1.00 0.00 N ATOM 1988 CA LEU B 32 5.474 7.416 -24.467 1.00 0.00 C ATOM 1989 C LEU B 32 4.095 7.095 -25.027 1.00 0.00 C ATOM 1990 O LEU B 32 3.144 6.954 -24.296 1.00 0.00 O ATOM 1991 CB LEU B 32 5.771 8.914 -24.626 1.00 0.00 C ATOM 1992 CG LEU B 32 4.652 9.759 -23.998 1.00 0.00 C ATOM 1993 CD1 LEU B 32 4.484 9.397 -22.517 1.00 0.00 C ATOM 1994 CD2 LEU B 32 5.020 11.240 -24.123 1.00 0.00 C ATOM 0 H LEU B 32 7.187 7.190 -25.712 1.00 0.00 H new ATOM 0 HA LEU B 32 5.509 7.159 -23.408 1.00 0.00 H new ATOM 0 HB2 LEU B 32 6.723 9.153 -24.153 1.00 0.00 H new ATOM 0 HB3 LEU B 32 5.870 9.160 -25.683 1.00 0.00 H new ATOM 0 HG LEU B 32 3.714 9.561 -24.517 1.00 0.00 H new ATOM 0 HD11 LEU B 32 3.688 10.002 -22.083 1.00 0.00 H new ATOM 0 HD12 LEU B 32 4.227 8.341 -22.427 1.00 0.00 H new ATOM 0 HD13 LEU B 32 5.417 9.590 -21.987 1.00 0.00 H new ATOM 0 HD21 LEU B 32 4.232 11.849 -23.680 1.00 0.00 H new ATOM 0 HD22 LEU B 32 5.959 11.427 -23.602 1.00 0.00 H new ATOM 0 HD23 LEU B 32 5.131 11.500 -25.176 1.00 0.00 H new ATOM 2006 N LYS B 33 3.981 6.978 -26.318 1.00 0.00 N ATOM 2007 CA LYS B 33 2.655 6.657 -26.921 1.00 0.00 C ATOM 2008 C LYS B 33 2.151 5.312 -26.392 1.00 0.00 C ATOM 2009 O LYS B 33 0.980 5.139 -26.124 1.00 0.00 O ATOM 2010 CB LYS B 33 2.793 6.574 -28.440 1.00 0.00 C ATOM 2011 CG LYS B 33 1.405 6.435 -29.066 1.00 0.00 C ATOM 2012 CD LYS B 33 1.539 6.352 -30.586 1.00 0.00 C ATOM 2013 CE LYS B 33 0.146 6.284 -31.216 1.00 0.00 C ATOM 2014 NZ LYS B 33 -0.545 5.047 -30.757 1.00 0.00 N ATOM 0 H LYS B 33 4.746 7.090 -26.983 1.00 0.00 H new ATOM 0 HA LYS B 33 1.946 7.440 -26.654 1.00 0.00 H new ATOM 0 HB2 LYS B 33 3.289 7.467 -28.821 1.00 0.00 H new ATOM 0 HB3 LYS B 33 3.415 5.722 -28.714 1.00 0.00 H new ATOM 0 HG2 LYS B 33 0.910 5.542 -28.684 1.00 0.00 H new ATOM 0 HG3 LYS B 33 0.783 7.287 -28.791 1.00 0.00 H new ATOM 0 HD2 LYS B 33 2.078 7.221 -30.963 1.00 0.00 H new ATOM 0 HD3 LYS B 33 2.119 5.472 -30.863 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -0.435 7.163 -30.937 1.00 0.00 H new ATOM 0 HE3 LYS B 33 0.226 6.287 -32.303 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -0.869 4.504 -31.582 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 0.114 4.468 -30.198 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -1.363 5.304 -30.169 1.00 0.00 H new ATOM 2028 N GLU B 34 3.026 4.354 -26.253 1.00 0.00 N ATOM 2029 CA GLU B 34 2.603 3.022 -25.760 1.00 0.00 C ATOM 2030 C GLU B 34 2.023 3.174 -24.361 1.00 0.00 C ATOM 2031 O GLU B 34 1.048 2.557 -24.015 1.00 0.00 O ATOM 2032 CB GLU B 34 3.806 2.075 -25.732 1.00 0.00 C ATOM 2033 CG GLU B 34 4.234 1.746 -27.165 1.00 0.00 C ATOM 2034 CD GLU B 34 3.164 0.885 -27.839 1.00 0.00 C ATOM 2035 OE1 GLU B 34 2.447 0.199 -27.128 1.00 0.00 O ATOM 2036 OE2 GLU B 34 3.081 0.923 -29.056 1.00 0.00 O ATOM 0 H GLU B 34 4.020 4.442 -26.462 1.00 0.00 H new ATOM 0 HA GLU B 34 1.846 2.605 -26.424 1.00 0.00 H new ATOM 0 HB2 GLU B 34 4.633 2.537 -25.192 1.00 0.00 H new ATOM 0 HB3 GLU B 34 3.549 1.160 -25.199 1.00 0.00 H new ATOM 0 HG2 GLU B 34 4.383 2.666 -27.730 1.00 0.00 H new ATOM 0 HG3 GLU B 34 5.188 1.218 -27.158 1.00 0.00 H new ATOM 2043 N LEU B 35 2.614 3.993 -23.551 1.00 0.00 N ATOM 2044 CA LEU B 35 2.070 4.190 -22.184 1.00 0.00 C ATOM 2045 C LEU B 35 0.670 4.792 -22.281 1.00 0.00 C ATOM 2046 O LEU B 35 -0.265 4.342 -21.659 1.00 0.00 O ATOM 2047 CB LEU B 35 2.986 5.157 -21.421 1.00 0.00 C ATOM 2048 CG LEU B 35 2.336 5.579 -20.072 1.00 0.00 C ATOM 2049 CD1 LEU B 35 3.415 5.708 -18.992 1.00 0.00 C ATOM 2050 CD2 LEU B 35 1.623 6.939 -20.211 1.00 0.00 C ATOM 0 H LEU B 35 3.449 4.535 -23.772 1.00 0.00 H new ATOM 0 HA LEU B 35 2.020 3.235 -21.662 1.00 0.00 H new ATOM 0 HB2 LEU B 35 3.949 4.682 -21.234 1.00 0.00 H new ATOM 0 HB3 LEU B 35 3.179 6.040 -22.030 1.00 0.00 H new ATOM 0 HG LEU B 35 1.610 4.814 -19.794 1.00 0.00 H new ATOM 0 HD11 LEU B 35 2.953 6.004 -18.050 1.00 0.00 H new ATOM 0 HD12 LEU B 35 3.918 4.750 -18.864 1.00 0.00 H new ATOM 0 HD13 LEU B 35 4.142 6.463 -19.292 1.00 0.00 H new ATOM 0 HD21 LEU B 35 1.176 7.215 -19.256 1.00 0.00 H new ATOM 0 HD22 LEU B 35 2.345 7.700 -20.506 1.00 0.00 H new ATOM 0 HD23 LEU B 35 0.843 6.865 -20.969 1.00 0.00 H new ATOM 2062 N ILE B 36 0.539 5.836 -23.042 1.00 0.00 N ATOM 2063 CA ILE B 36 -0.771 6.530 -23.167 1.00 0.00 C ATOM 2064 C ILE B 36 -1.802 5.679 -23.909 1.00 0.00 C ATOM 2065 O ILE B 36 -2.943 5.586 -23.502 1.00 0.00 O ATOM 2066 CB ILE B 36 -0.550 7.840 -23.923 1.00 0.00 C ATOM 2067 CG1 ILE B 36 0.412 8.727 -23.121 1.00 0.00 C ATOM 2068 CG2 ILE B 36 -1.882 8.561 -24.105 1.00 0.00 C ATOM 2069 CD1 ILE B 36 0.844 9.932 -23.964 1.00 0.00 C ATOM 0 H ILE B 36 1.294 6.246 -23.592 1.00 0.00 H new ATOM 0 HA ILE B 36 -1.163 6.715 -22.167 1.00 0.00 H new ATOM 0 HB ILE B 36 -0.123 7.629 -24.903 1.00 0.00 H new ATOM 0 HG12 ILE B 36 -0.073 9.068 -22.206 1.00 0.00 H new ATOM 0 HG13 ILE B 36 1.287 8.150 -22.822 1.00 0.00 H new ATOM 0 HG21 ILE B 36 -1.720 9.494 -24.644 1.00 0.00 H new ATOM 0 HG22 ILE B 36 -2.564 7.928 -24.672 1.00 0.00 H new ATOM 0 HG23 ILE B 36 -2.315 8.777 -23.128 1.00 0.00 H new ATOM 0 HD11 ILE B 36 1.526 10.555 -23.386 1.00 0.00 H new ATOM 0 HD12 ILE B 36 1.347 9.583 -24.866 1.00 0.00 H new ATOM 0 HD13 ILE B 36 -0.034 10.516 -24.241 1.00 0.00 H new ATOM 2081 N ASN B 37 -1.434 5.082 -25.002 1.00 0.00 N ATOM 2082 CA ASN B 37 -2.430 4.272 -25.762 1.00 0.00 C ATOM 2083 C ASN B 37 -2.784 2.972 -25.028 1.00 0.00 C ATOM 2084 O ASN B 37 -3.911 2.519 -25.054 1.00 0.00 O ATOM 2085 CB ASN B 37 -1.856 3.927 -27.139 1.00 0.00 C ATOM 2086 CG ASN B 37 -1.833 5.179 -28.018 1.00 0.00 C ATOM 2087 OD1 ASN B 37 -2.363 5.175 -29.112 1.00 0.00 O ATOM 2088 ND2 ASN B 37 -1.239 6.257 -27.587 1.00 0.00 N ATOM 0 H ASN B 37 -0.497 5.116 -25.403 1.00 0.00 H new ATOM 0 HA ASN B 37 -3.339 4.865 -25.861 1.00 0.00 H new ATOM 0 HB2 ASN B 37 -0.848 3.527 -27.033 1.00 0.00 H new ATOM 0 HB3 ASN B 37 -2.459 3.151 -27.611 1.00 0.00 H new ATOM 0 HD21 ASN B 37 -1.220 7.095 -28.168 1.00 0.00 H new ATOM 0 HD22 ASN B 37 -0.794 6.262 -26.669 1.00 0.00 H new ATOM 2095 N ASN B 38 -1.810 2.338 -24.441 1.00 0.00 N ATOM 2096 CA ASN B 38 -2.046 1.010 -23.770 1.00 0.00 C ATOM 2097 C ASN B 38 -2.189 1.094 -22.241 1.00 0.00 C ATOM 2098 O ASN B 38 -2.902 0.304 -21.654 1.00 0.00 O ATOM 2099 CB ASN B 38 -0.876 0.084 -24.102 1.00 0.00 C ATOM 2100 CG ASN B 38 -0.715 0.003 -25.620 1.00 0.00 C ATOM 2101 OD1 ASN B 38 0.250 -0.544 -26.115 1.00 0.00 O ATOM 2102 ND2 ASN B 38 -1.627 0.537 -26.387 1.00 0.00 N ATOM 0 H ASN B 38 -0.849 2.677 -24.392 1.00 0.00 H new ATOM 0 HA ASN B 38 -2.995 0.632 -24.150 1.00 0.00 H new ATOM 0 HB2 ASN B 38 0.041 0.459 -23.646 1.00 0.00 H new ATOM 0 HB3 ASN B 38 -1.054 -0.909 -23.690 1.00 0.00 H new ATOM 0 HD21 ASN B 38 -1.529 0.495 -27.401 1.00 0.00 H new ATOM 0 HD22 ASN B 38 -2.437 0.996 -25.972 1.00 0.00 H new ATOM 2109 N GLU B 39 -1.519 1.993 -21.568 1.00 0.00 N ATOM 2110 CA GLU B 39 -1.656 2.015 -20.074 1.00 0.00 C ATOM 2111 C GLU B 39 -2.950 2.727 -19.705 1.00 0.00 C ATOM 2112 O GLU B 39 -3.437 2.616 -18.598 1.00 0.00 O ATOM 2113 CB GLU B 39 -0.456 2.732 -19.421 1.00 0.00 C ATOM 2114 CG GLU B 39 -0.354 2.322 -17.947 1.00 0.00 C ATOM 2115 CD GLU B 39 0.869 2.988 -17.314 1.00 0.00 C ATOM 2116 OE1 GLU B 39 0.723 4.085 -16.801 1.00 0.00 O ATOM 2117 OE2 GLU B 39 1.931 2.389 -17.354 1.00 0.00 O ATOM 0 H GLU B 39 -0.899 2.696 -21.970 1.00 0.00 H new ATOM 0 HA GLU B 39 -1.677 0.990 -19.705 1.00 0.00 H new ATOM 0 HB2 GLU B 39 0.464 2.474 -19.945 1.00 0.00 H new ATOM 0 HB3 GLU B 39 -0.577 3.812 -19.501 1.00 0.00 H new ATOM 0 HG2 GLU B 39 -1.258 2.616 -17.414 1.00 0.00 H new ATOM 0 HG3 GLU B 39 -0.274 1.238 -17.865 1.00 0.00 H new ATOM 2124 N LEU B 40 -3.522 3.439 -20.640 1.00 0.00 N ATOM 2125 CA LEU B 40 -4.805 4.157 -20.381 1.00 0.00 C ATOM 2126 C LEU B 40 -5.879 3.561 -21.291 1.00 0.00 C ATOM 2127 O LEU B 40 -6.438 4.237 -22.125 1.00 0.00 O ATOM 2128 CB LEU B 40 -4.630 5.639 -20.717 1.00 0.00 C ATOM 2129 CG LEU B 40 -3.347 6.176 -20.061 1.00 0.00 C ATOM 2130 CD1 LEU B 40 -3.190 7.681 -20.358 1.00 0.00 C ATOM 2131 CD2 LEU B 40 -3.405 5.944 -18.543 1.00 0.00 C ATOM 0 H LEU B 40 -3.151 3.555 -21.583 1.00 0.00 H new ATOM 0 HA LEU B 40 -5.092 4.053 -19.335 1.00 0.00 H new ATOM 0 HB2 LEU B 40 -4.580 5.772 -21.798 1.00 0.00 H new ATOM 0 HB3 LEU B 40 -5.493 6.205 -20.366 1.00 0.00 H new ATOM 0 HG LEU B 40 -2.488 5.645 -20.472 1.00 0.00 H new ATOM 0 HD11 LEU B 40 -2.278 8.051 -19.889 1.00 0.00 H new ATOM 0 HD12 LEU B 40 -3.132 7.835 -21.435 1.00 0.00 H new ATOM 0 HD13 LEU B 40 -4.048 8.222 -19.960 1.00 0.00 H new ATOM 0 HD21 LEU B 40 -2.494 6.326 -18.082 1.00 0.00 H new ATOM 0 HD22 LEU B 40 -4.268 6.465 -18.128 1.00 0.00 H new ATOM 0 HD23 LEU B 40 -3.494 4.877 -18.341 1.00 0.00 H new ATOM 2143 N SER B 41 -6.158 2.296 -21.151 1.00 0.00 N ATOM 2144 CA SER B 41 -7.181 1.656 -22.029 1.00 0.00 C ATOM 2145 C SER B 41 -8.467 2.491 -22.038 1.00 0.00 C ATOM 2146 O SER B 41 -8.926 2.916 -23.080 1.00 0.00 O ATOM 2147 CB SER B 41 -7.490 0.253 -21.506 1.00 0.00 C ATOM 2148 OG SER B 41 -8.081 0.351 -20.217 1.00 0.00 O ATOM 0 H SER B 41 -5.723 1.676 -20.468 1.00 0.00 H new ATOM 0 HA SER B 41 -6.791 1.595 -23.045 1.00 0.00 H new ATOM 0 HB2 SER B 41 -8.165 -0.262 -22.190 1.00 0.00 H new ATOM 0 HB3 SER B 41 -6.576 -0.338 -21.455 1.00 0.00 H new ATOM 0 HG SER B 41 -9.040 0.532 -20.310 1.00 0.00 H new ATOM 2154 N HIS B 42 -9.052 2.731 -20.892 1.00 0.00 N ATOM 2155 CA HIS B 42 -10.312 3.544 -20.839 1.00 0.00 C ATOM 2156 C HIS B 42 -10.269 4.486 -19.634 1.00 0.00 C ATOM 2157 O HIS B 42 -11.196 5.230 -19.382 1.00 0.00 O ATOM 2158 CB HIS B 42 -11.515 2.606 -20.709 1.00 0.00 C ATOM 2159 CG HIS B 42 -11.232 1.564 -19.663 1.00 0.00 C ATOM 2160 ND1 HIS B 42 -10.863 0.266 -19.992 1.00 0.00 N ATOM 2161 CD2 HIS B 42 -11.256 1.609 -18.290 1.00 0.00 C ATOM 2162 CE1 HIS B 42 -10.681 -0.409 -18.842 1.00 0.00 C ATOM 2163 NE2 HIS B 42 -10.909 0.364 -17.779 1.00 0.00 N ATOM 0 H HIS B 42 -8.714 2.400 -19.988 1.00 0.00 H new ATOM 0 HA HIS B 42 -10.402 4.132 -21.752 1.00 0.00 H new ATOM 0 HB2 HIS B 42 -12.405 3.175 -20.439 1.00 0.00 H new ATOM 0 HB3 HIS B 42 -11.721 2.128 -21.667 1.00 0.00 H new ATOM 0 HD2 HIS B 42 -11.506 2.478 -17.699 1.00 0.00 H new ATOM 0 HE1 HIS B 42 -10.387 -1.447 -18.787 1.00 0.00 H new ATOM 0 HE2 HIS B 42 -10.843 0.097 -16.797 1.00 0.00 H new ATOM 2172 N PHE B 43 -9.204 4.457 -18.886 1.00 0.00 N ATOM 2173 CA PHE B 43 -9.098 5.345 -17.695 1.00 0.00 C ATOM 2174 C PHE B 43 -8.944 6.802 -18.143 1.00 0.00 C ATOM 2175 O PHE B 43 -9.466 7.709 -17.526 1.00 0.00 O ATOM 2176 CB PHE B 43 -7.887 4.907 -16.861 1.00 0.00 C ATOM 2177 CG PHE B 43 -7.566 5.915 -15.769 1.00 0.00 C ATOM 2178 CD1 PHE B 43 -8.584 6.495 -14.990 1.00 0.00 C ATOM 2179 CD2 PHE B 43 -6.228 6.260 -15.526 1.00 0.00 C ATOM 2180 CE1 PHE B 43 -8.258 7.412 -13.983 1.00 0.00 C ATOM 2181 CE2 PHE B 43 -5.908 7.174 -14.518 1.00 0.00 C ATOM 2182 CZ PHE B 43 -6.922 7.751 -13.748 1.00 0.00 C ATOM 0 H PHE B 43 -8.398 3.854 -19.048 1.00 0.00 H new ATOM 0 HA PHE B 43 -10.001 5.269 -17.090 1.00 0.00 H new ATOM 0 HB2 PHE B 43 -8.086 3.934 -16.412 1.00 0.00 H new ATOM 0 HB3 PHE B 43 -7.021 4.786 -17.512 1.00 0.00 H new ATOM 0 HD1 PHE B 43 -9.616 6.233 -15.169 1.00 0.00 H new ATOM 0 HD2 PHE B 43 -5.442 5.818 -16.120 1.00 0.00 H new ATOM 0 HE1 PHE B 43 -9.040 7.858 -13.387 1.00 0.00 H new ATOM 0 HE2 PHE B 43 -4.876 7.435 -14.334 1.00 0.00 H new ATOM 0 HZ PHE B 43 -6.673 8.459 -12.971 1.00 0.00 H new ATOM 2192 N LEU B 44 -8.226 7.028 -19.216 1.00 0.00 N ATOM 2193 CA LEU B 44 -8.019 8.419 -19.725 1.00 0.00 C ATOM 2194 C LEU B 44 -8.218 8.418 -21.237 1.00 0.00 C ATOM 2195 O LEU B 44 -8.153 7.388 -21.878 1.00 0.00 O ATOM 2196 CB LEU B 44 -6.590 8.877 -19.397 1.00 0.00 C ATOM 2197 CG LEU B 44 -6.494 10.417 -19.444 1.00 0.00 C ATOM 2198 CD1 LEU B 44 -6.901 11.013 -18.091 1.00 0.00 C ATOM 2199 CD2 LEU B 44 -5.051 10.833 -19.756 1.00 0.00 C ATOM 0 H LEU B 44 -7.770 6.300 -19.766 1.00 0.00 H new ATOM 0 HA LEU B 44 -8.730 9.099 -19.255 1.00 0.00 H new ATOM 0 HB2 LEU B 44 -6.304 8.519 -18.408 1.00 0.00 H new ATOM 0 HB3 LEU B 44 -5.889 8.441 -20.109 1.00 0.00 H new ATOM 0 HG LEU B 44 -7.165 10.786 -20.220 1.00 0.00 H new ATOM 0 HD11 LEU B 44 -6.829 12.100 -18.136 1.00 0.00 H new ATOM 0 HD12 LEU B 44 -7.927 10.726 -17.861 1.00 0.00 H new ATOM 0 HD13 LEU B 44 -6.236 10.637 -17.313 1.00 0.00 H new ATOM 0 HD21 LEU B 44 -4.985 11.920 -19.789 1.00 0.00 H new ATOM 0 HD22 LEU B 44 -4.387 10.452 -18.980 1.00 0.00 H new ATOM 0 HD23 LEU B 44 -4.754 10.422 -20.721 1.00 0.00 H new ATOM 2211 N GLU B 45 -8.463 9.554 -21.815 1.00 0.00 N ATOM 2212 CA GLU B 45 -8.665 9.591 -23.282 1.00 0.00 C ATOM 2213 C GLU B 45 -7.405 9.067 -23.976 1.00 0.00 C ATOM 2214 O GLU B 45 -6.357 9.681 -23.941 1.00 0.00 O ATOM 2215 CB GLU B 45 -8.926 11.037 -23.715 1.00 0.00 C ATOM 2216 CG GLU B 45 -9.140 11.102 -25.231 1.00 0.00 C ATOM 2217 CD GLU B 45 -10.403 10.324 -25.603 1.00 0.00 C ATOM 2218 OE1 GLU B 45 -11.213 10.088 -24.721 1.00 0.00 O ATOM 2219 OE2 GLU B 45 -10.539 9.975 -26.764 1.00 0.00 O ATOM 0 H GLU B 45 -8.532 10.453 -21.339 1.00 0.00 H new ATOM 0 HA GLU B 45 -9.517 8.969 -23.557 1.00 0.00 H new ATOM 0 HB2 GLU B 45 -9.803 11.427 -23.199 1.00 0.00 H new ATOM 0 HB3 GLU B 45 -8.083 11.668 -23.431 1.00 0.00 H new ATOM 0 HG2 GLU B 45 -9.232 12.140 -25.552 1.00 0.00 H new ATOM 0 HG3 GLU B 45 -8.277 10.684 -25.749 1.00 0.00 H new ATOM 2226 N GLU B 46 -7.512 7.940 -24.618 1.00 0.00 N ATOM 2227 CA GLU B 46 -6.340 7.364 -25.336 1.00 0.00 C ATOM 2228 C GLU B 46 -5.964 8.255 -26.513 1.00 0.00 C ATOM 2229 O GLU B 46 -6.709 9.128 -26.913 1.00 0.00 O ATOM 2230 CB GLU B 46 -6.691 5.973 -25.871 1.00 0.00 C ATOM 2231 CG GLU B 46 -6.672 4.981 -24.723 1.00 0.00 C ATOM 2232 CD GLU B 46 -7.143 3.612 -25.216 1.00 0.00 C ATOM 2233 OE1 GLU B 46 -8.338 3.451 -25.401 1.00 0.00 O ATOM 2234 OE2 GLU B 46 -6.301 2.749 -25.404 1.00 0.00 O ATOM 0 H GLU B 46 -8.367 7.387 -24.678 1.00 0.00 H new ATOM 0 HA GLU B 46 -5.504 7.296 -24.640 1.00 0.00 H new ATOM 0 HB2 GLU B 46 -7.675 5.987 -26.339 1.00 0.00 H new ATOM 0 HB3 GLU B 46 -5.977 5.674 -26.638 1.00 0.00 H new ATOM 0 HG2 GLU B 46 -5.665 4.904 -24.313 1.00 0.00 H new ATOM 0 HG3 GLU B 46 -7.318 5.330 -23.917 1.00 0.00 H new ATOM 2241 N ILE B 47 -4.808 8.021 -27.076 1.00 0.00 N ATOM 2242 CA ILE B 47 -4.352 8.818 -28.251 1.00 0.00 C ATOM 2243 C ILE B 47 -4.457 7.945 -29.506 1.00 0.00 C ATOM 2244 O ILE B 47 -4.013 6.815 -29.525 1.00 0.00 O ATOM 2245 CB ILE B 47 -2.912 9.274 -28.017 1.00 0.00 C ATOM 2246 CG1 ILE B 47 -2.919 10.352 -26.921 1.00 0.00 C ATOM 2247 CG2 ILE B 47 -2.339 9.831 -29.321 1.00 0.00 C ATOM 2248 CD1 ILE B 47 -1.500 10.844 -26.646 1.00 0.00 C ATOM 0 H ILE B 47 -4.153 7.303 -26.767 1.00 0.00 H new ATOM 0 HA ILE B 47 -4.975 9.702 -28.385 1.00 0.00 H new ATOM 0 HB ILE B 47 -2.289 8.438 -27.698 1.00 0.00 H new ATOM 0 HG12 ILE B 47 -3.547 11.188 -27.229 1.00 0.00 H new ATOM 0 HG13 ILE B 47 -3.353 9.947 -26.007 1.00 0.00 H new ATOM 0 HG21 ILE B 47 -1.312 10.157 -29.157 1.00 0.00 H new ATOM 0 HG22 ILE B 47 -2.356 9.055 -30.086 1.00 0.00 H new ATOM 0 HG23 ILE B 47 -2.941 10.678 -29.650 1.00 0.00 H new ATOM 0 HD11 ILE B 47 -1.524 11.607 -25.868 1.00 0.00 H new ATOM 0 HD12 ILE B 47 -0.883 10.008 -26.316 1.00 0.00 H new ATOM 0 HD13 ILE B 47 -1.079 11.269 -27.557 1.00 0.00 H new ATOM 2260 N LYS B 48 -5.077 8.454 -30.543 1.00 0.00 N ATOM 2261 CA LYS B 48 -5.260 7.651 -31.795 1.00 0.00 C ATOM 2262 C LYS B 48 -4.277 8.122 -32.876 1.00 0.00 C ATOM 2263 O LYS B 48 -3.962 7.389 -33.792 1.00 0.00 O ATOM 2264 CB LYS B 48 -6.710 7.836 -32.291 1.00 0.00 C ATOM 2265 CG LYS B 48 -7.677 7.981 -31.097 1.00 0.00 C ATOM 2266 CD LYS B 48 -7.656 6.724 -30.216 1.00 0.00 C ATOM 2267 CE LYS B 48 -8.423 7.001 -28.922 1.00 0.00 C ATOM 2268 NZ LYS B 48 -9.644 7.800 -29.223 1.00 0.00 N ATOM 0 H LYS B 48 -5.467 9.396 -30.577 1.00 0.00 H new ATOM 0 HA LYS B 48 -5.067 6.599 -31.587 1.00 0.00 H new ATOM 0 HB2 LYS B 48 -6.773 8.719 -32.927 1.00 0.00 H new ATOM 0 HB3 LYS B 48 -7.003 6.982 -32.902 1.00 0.00 H new ATOM 0 HG2 LYS B 48 -7.398 8.851 -30.502 1.00 0.00 H new ATOM 0 HG3 LYS B 48 -8.689 8.156 -31.463 1.00 0.00 H new ATOM 0 HD2 LYS B 48 -8.107 5.886 -30.747 1.00 0.00 H new ATOM 0 HD3 LYS B 48 -6.628 6.442 -29.990 1.00 0.00 H new ATOM 0 HE2 LYS B 48 -8.700 6.061 -28.444 1.00 0.00 H new ATOM 0 HE3 LYS B 48 -7.788 7.541 -28.220 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 -10.302 7.745 -28.420 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 -9.378 8.792 -29.385 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 -10.105 7.422 -30.075 1.00 0.00 H new ATOM 2282 N GLU B 49 -3.790 9.335 -32.772 1.00 0.00 N ATOM 2283 CA GLU B 49 -2.819 9.863 -33.788 1.00 0.00 C ATOM 2284 C GLU B 49 -1.488 10.177 -33.114 1.00 0.00 C ATOM 2285 O GLU B 49 -1.442 10.702 -32.020 1.00 0.00 O ATOM 2286 CB GLU B 49 -3.370 11.146 -34.414 1.00 0.00 C ATOM 2287 CG GLU B 49 -4.525 10.803 -35.350 1.00 0.00 C ATOM 2288 CD GLU B 49 -5.102 12.089 -35.946 1.00 0.00 C ATOM 2289 OE1 GLU B 49 -4.640 13.154 -35.568 1.00 0.00 O ATOM 2290 OE2 GLU B 49 -5.999 11.989 -36.767 1.00 0.00 O ATOM 0 H GLU B 49 -4.023 9.987 -32.023 1.00 0.00 H new ATOM 0 HA GLU B 49 -2.673 9.109 -34.561 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -3.711 11.826 -33.634 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -2.583 11.661 -34.965 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -4.178 10.145 -36.147 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -5.300 10.263 -34.805 1.00 0.00 H new ATOM 2297 N GLN B 50 -0.405 9.872 -33.767 1.00 0.00 N ATOM 2298 CA GLN B 50 0.923 10.166 -33.173 1.00 0.00 C ATOM 2299 C GLN B 50 1.097 11.682 -33.090 1.00 0.00 C ATOM 2300 O GLN B 50 1.912 12.176 -32.345 1.00 0.00 O ATOM 2301 CB GLN B 50 2.034 9.546 -34.041 1.00 0.00 C ATOM 2302 CG GLN B 50 2.121 10.247 -35.406 1.00 0.00 C ATOM 2303 CD GLN B 50 0.787 10.117 -36.141 1.00 0.00 C ATOM 2304 OE1 GLN B 50 0.501 9.094 -36.729 1.00 0.00 O ATOM 2305 NE2 GLN B 50 -0.051 11.118 -36.126 1.00 0.00 N ATOM 0 H GLN B 50 -0.383 9.432 -34.687 1.00 0.00 H new ATOM 0 HA GLN B 50 0.988 9.736 -32.174 1.00 0.00 H new ATOM 0 HB2 GLN B 50 2.991 9.626 -33.525 1.00 0.00 H new ATOM 0 HB3 GLN B 50 1.838 8.484 -34.185 1.00 0.00 H new ATOM 0 HG2 GLN B 50 2.370 11.299 -35.269 1.00 0.00 H new ATOM 0 HG3 GLN B 50 2.920 9.805 -36.002 1.00 0.00 H new ATOM 0 HE21 GLN B 50 0.190 11.977 -35.632 1.00 0.00 H new ATOM 0 HE22 GLN B 50 -0.946 11.041 -36.608 1.00 0.00 H new ATOM 2314 N GLU B 51 0.339 12.423 -33.860 1.00 0.00 N ATOM 2315 CA GLU B 51 0.462 13.914 -33.830 1.00 0.00 C ATOM 2316 C GLU B 51 0.156 14.440 -32.430 1.00 0.00 C ATOM 2317 O GLU B 51 0.810 15.340 -31.951 1.00 0.00 O ATOM 2318 CB GLU B 51 -0.502 14.533 -34.855 1.00 0.00 C ATOM 2319 CG GLU B 51 -1.962 14.420 -34.365 1.00 0.00 C ATOM 2320 CD GLU B 51 -2.354 15.666 -33.558 1.00 0.00 C ATOM 2321 OE1 GLU B 51 -1.462 16.355 -33.091 1.00 0.00 O ATOM 2322 OE2 GLU B 51 -3.541 15.907 -33.421 1.00 0.00 O ATOM 0 H GLU B 51 -0.360 12.060 -34.508 1.00 0.00 H new ATOM 0 HA GLU B 51 1.483 14.194 -34.089 1.00 0.00 H new ATOM 0 HB2 GLU B 51 -0.247 15.580 -35.016 1.00 0.00 H new ATOM 0 HB3 GLU B 51 -0.395 14.028 -35.815 1.00 0.00 H new ATOM 0 HG2 GLU B 51 -2.631 14.306 -35.218 1.00 0.00 H new ATOM 0 HG3 GLU B 51 -2.077 13.529 -33.749 1.00 0.00 H new ATOM 2329 N VAL B 52 -0.822 13.896 -31.763 1.00 0.00 N ATOM 2330 CA VAL B 52 -1.133 14.389 -30.396 1.00 0.00 C ATOM 2331 C VAL B 52 0.099 14.184 -29.545 1.00 0.00 C ATOM 2332 O VAL B 52 0.444 15.006 -28.731 1.00 0.00 O ATOM 2333 CB VAL B 52 -2.297 13.606 -29.796 1.00 0.00 C ATOM 2334 CG1 VAL B 52 -2.592 14.139 -28.394 1.00 0.00 C ATOM 2335 CG2 VAL B 52 -3.535 13.763 -30.679 1.00 0.00 C ATOM 0 H VAL B 52 -1.414 13.138 -32.102 1.00 0.00 H new ATOM 0 HA VAL B 52 -1.414 15.441 -30.435 1.00 0.00 H new ATOM 0 HB VAL B 52 -2.034 12.550 -29.737 1.00 0.00 H new ATOM 0 HG11 VAL B 52 -3.423 13.583 -27.961 1.00 0.00 H new ATOM 0 HG12 VAL B 52 -1.709 14.020 -27.766 1.00 0.00 H new ATOM 0 HG13 VAL B 52 -2.854 15.195 -28.454 1.00 0.00 H new ATOM 0 HG21 VAL B 52 -4.364 13.202 -30.247 1.00 0.00 H new ATOM 0 HG22 VAL B 52 -3.805 14.817 -30.743 1.00 0.00 H new ATOM 0 HG23 VAL B 52 -3.321 13.382 -31.677 1.00 0.00 H new ATOM 2345 N VAL B 53 0.762 13.088 -29.735 1.00 0.00 N ATOM 2346 CA VAL B 53 1.987 12.814 -28.951 1.00 0.00 C ATOM 2347 C VAL B 53 3.042 13.865 -29.281 1.00 0.00 C ATOM 2348 O VAL B 53 3.786 14.282 -28.430 1.00 0.00 O ATOM 2349 CB VAL B 53 2.513 11.432 -29.303 1.00 0.00 C ATOM 2350 CG1 VAL B 53 3.671 11.079 -28.379 1.00 0.00 C ATOM 2351 CG2 VAL B 53 1.396 10.413 -29.135 1.00 0.00 C ATOM 0 H VAL B 53 0.506 12.363 -30.406 1.00 0.00 H new ATOM 0 HA VAL B 53 1.758 12.852 -27.886 1.00 0.00 H new ATOM 0 HB VAL B 53 2.861 11.424 -30.336 1.00 0.00 H new ATOM 0 HG11 VAL B 53 4.049 10.088 -28.631 1.00 0.00 H new ATOM 0 HG12 VAL B 53 4.468 11.812 -28.499 1.00 0.00 H new ATOM 0 HG13 VAL B 53 3.326 11.084 -27.345 1.00 0.00 H new ATOM 0 HG21 VAL B 53 1.769 9.420 -29.386 1.00 0.00 H new ATOM 0 HG22 VAL B 53 1.050 10.420 -28.101 1.00 0.00 H new ATOM 0 HG23 VAL B 53 0.568 10.668 -29.797 1.00 0.00 H new ATOM 2361 N ASP B 54 3.119 14.278 -30.517 1.00 0.00 N ATOM 2362 CA ASP B 54 4.128 15.301 -30.914 1.00 0.00 C ATOM 2363 C ASP B 54 3.862 16.599 -30.148 1.00 0.00 C ATOM 2364 O ASP B 54 4.763 17.289 -29.718 1.00 0.00 O ATOM 2365 CB ASP B 54 4.039 15.556 -32.422 1.00 0.00 C ATOM 2366 CG ASP B 54 5.090 16.592 -32.838 1.00 0.00 C ATOM 2367 OD1 ASP B 54 5.557 17.319 -31.977 1.00 0.00 O ATOM 2368 OD2 ASP B 54 5.412 16.638 -34.013 1.00 0.00 O ATOM 0 H ASP B 54 2.521 13.948 -31.275 1.00 0.00 H new ATOM 0 HA ASP B 54 5.128 14.940 -30.675 1.00 0.00 H new ATOM 0 HB2 ASP B 54 4.197 14.625 -32.967 1.00 0.00 H new ATOM 0 HB3 ASP B 54 3.042 15.912 -32.681 1.00 0.00 H new ATOM 2373 N LYS B 55 2.623 16.935 -29.992 1.00 0.00 N ATOM 2374 CA LYS B 55 2.262 18.183 -29.262 1.00 0.00 C ATOM 2375 C LYS B 55 2.638 18.009 -27.794 1.00 0.00 C ATOM 2376 O LYS B 55 3.146 18.907 -27.145 1.00 0.00 O ATOM 2377 CB LYS B 55 0.756 18.428 -29.385 1.00 0.00 C ATOM 2378 CG LYS B 55 0.407 19.783 -28.768 1.00 0.00 C ATOM 2379 CD LYS B 55 -1.097 20.030 -28.890 1.00 0.00 C ATOM 2380 CE LYS B 55 -1.443 21.388 -28.275 1.00 0.00 C ATOM 2381 NZ LYS B 55 -0.956 21.434 -26.867 1.00 0.00 N ATOM 0 H LYS B 55 1.830 16.396 -30.341 1.00 0.00 H new ATOM 0 HA LYS B 55 2.795 19.035 -29.684 1.00 0.00 H new ATOM 0 HB2 LYS B 55 0.458 18.406 -30.433 1.00 0.00 H new ATOM 0 HB3 LYS B 55 0.205 17.634 -28.880 1.00 0.00 H new ATOM 0 HG2 LYS B 55 0.705 19.804 -27.720 1.00 0.00 H new ATOM 0 HG3 LYS B 55 0.958 20.577 -29.273 1.00 0.00 H new ATOM 0 HD2 LYS B 55 -1.396 20.007 -29.938 1.00 0.00 H new ATOM 0 HD3 LYS B 55 -1.649 19.238 -28.383 1.00 0.00 H new ATOM 0 HE2 LYS B 55 -0.986 22.189 -28.856 1.00 0.00 H new ATOM 0 HE3 LYS B 55 -2.521 21.548 -28.304 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 -1.620 21.986 -26.288 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 -0.890 20.467 -26.491 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 -0.018 21.882 -26.839 1.00 0.00 H new ATOM 2395 N VAL B 56 2.399 16.841 -27.279 1.00 0.00 N ATOM 2396 CA VAL B 56 2.737 16.553 -25.861 1.00 0.00 C ATOM 2397 C VAL B 56 4.255 16.549 -25.728 1.00 0.00 C ATOM 2398 O VAL B 56 4.806 16.834 -24.684 1.00 0.00 O ATOM 2399 CB VAL B 56 2.162 15.187 -25.472 1.00 0.00 C ATOM 2400 CG1 VAL B 56 2.696 14.762 -24.104 1.00 0.00 C ATOM 2401 CG2 VAL B 56 0.636 15.279 -25.408 1.00 0.00 C ATOM 0 H VAL B 56 1.978 16.062 -27.786 1.00 0.00 H new ATOM 0 HA VAL B 56 2.313 17.308 -25.200 1.00 0.00 H new ATOM 0 HB VAL B 56 2.460 14.451 -26.218 1.00 0.00 H new ATOM 0 HG11 VAL B 56 2.281 13.790 -23.837 1.00 0.00 H new ATOM 0 HG12 VAL B 56 3.783 14.694 -24.143 1.00 0.00 H new ATOM 0 HG13 VAL B 56 2.405 15.499 -23.355 1.00 0.00 H new ATOM 0 HG21 VAL B 56 0.224 14.308 -25.131 1.00 0.00 H new ATOM 0 HG22 VAL B 56 0.347 16.021 -24.664 1.00 0.00 H new ATOM 0 HG23 VAL B 56 0.248 15.573 -26.383 1.00 0.00 H new ATOM 2411 N MET B 57 4.930 16.233 -26.795 1.00 0.00 N ATOM 2412 CA MET B 57 6.418 16.213 -26.767 1.00 0.00 C ATOM 2413 C MET B 57 6.918 17.641 -26.561 1.00 0.00 C ATOM 2414 O MET B 57 7.847 17.881 -25.838 1.00 0.00 O ATOM 2415 CB MET B 57 6.954 15.641 -28.102 1.00 0.00 C ATOM 2416 CG MET B 57 7.336 14.143 -27.978 1.00 0.00 C ATOM 2417 SD MET B 57 9.145 14.017 -27.770 1.00 0.00 S ATOM 2418 CE MET B 57 9.240 12.842 -26.391 1.00 0.00 C ATOM 0 H MET B 57 4.512 15.986 -27.692 1.00 0.00 H new ATOM 0 HA MET B 57 6.774 15.581 -25.953 1.00 0.00 H new ATOM 0 HB2 MET B 57 6.197 15.760 -28.878 1.00 0.00 H new ATOM 0 HB3 MET B 57 7.826 16.213 -28.418 1.00 0.00 H new ATOM 0 HG2 MET B 57 6.825 13.692 -27.127 1.00 0.00 H new ATOM 0 HG3 MET B 57 7.019 13.597 -28.866 1.00 0.00 H new ATOM 0 HE1 MET B 57 9.956 13.204 -25.653 1.00 0.00 H new ATOM 0 HE2 MET B 57 8.258 12.745 -25.927 1.00 0.00 H new ATOM 0 HE3 MET B 57 9.563 11.870 -26.763 1.00 0.00 H new ATOM 2428 N GLU B 58 6.306 18.600 -27.178 1.00 0.00 N ATOM 2429 CA GLU B 58 6.785 19.989 -26.983 1.00 0.00 C ATOM 2430 C GLU B 58 6.737 20.292 -25.489 1.00 0.00 C ATOM 2431 O GLU B 58 7.617 20.925 -24.941 1.00 0.00 O ATOM 2432 CB GLU B 58 5.883 20.964 -27.747 1.00 0.00 C ATOM 2433 CG GLU B 58 6.412 22.391 -27.578 1.00 0.00 C ATOM 2434 CD GLU B 58 5.533 23.360 -28.372 1.00 0.00 C ATOM 2435 OE1 GLU B 58 4.710 22.889 -29.138 1.00 0.00 O ATOM 2436 OE2 GLU B 58 5.703 24.556 -28.202 1.00 0.00 O ATOM 0 H GLU B 58 5.506 18.489 -27.801 1.00 0.00 H new ATOM 0 HA GLU B 58 7.802 20.099 -27.360 1.00 0.00 H new ATOM 0 HB2 GLU B 58 5.855 20.698 -28.804 1.00 0.00 H new ATOM 0 HB3 GLU B 58 4.861 20.898 -27.375 1.00 0.00 H new ATOM 0 HG2 GLU B 58 6.414 22.667 -26.523 1.00 0.00 H new ATOM 0 HG3 GLU B 58 7.443 22.451 -27.925 1.00 0.00 H new ATOM 2443 N THR B 59 5.711 19.842 -24.828 1.00 0.00 N ATOM 2444 CA THR B 59 5.596 20.098 -23.367 1.00 0.00 C ATOM 2445 C THR B 59 6.516 19.173 -22.553 1.00 0.00 C ATOM 2446 O THR B 59 7.168 19.607 -21.623 1.00 0.00 O ATOM 2447 CB THR B 59 4.145 19.867 -22.939 1.00 0.00 C ATOM 2448 OG1 THR B 59 3.280 20.598 -23.795 1.00 0.00 O ATOM 2449 CG2 THR B 59 3.947 20.335 -21.498 1.00 0.00 C ATOM 0 H THR B 59 4.945 19.307 -25.236 1.00 0.00 H new ATOM 0 HA THR B 59 5.899 21.127 -23.174 1.00 0.00 H new ATOM 0 HB THR B 59 3.916 18.803 -23.005 1.00 0.00 H new ATOM 0 HG1 THR B 59 2.350 20.450 -23.524 1.00 0.00 H new ATOM 0 HG21 THR B 59 2.912 20.168 -21.200 1.00 0.00 H new ATOM 0 HG22 THR B 59 4.610 19.774 -20.839 1.00 0.00 H new ATOM 0 HG23 THR B 59 4.178 21.398 -21.426 1.00 0.00 H new ATOM 2457 N LEU B 60 6.557 17.901 -22.862 1.00 0.00 N ATOM 2458 CA LEU B 60 7.413 16.963 -22.065 1.00 0.00 C ATOM 2459 C LEU B 60 8.815 16.865 -22.661 1.00 0.00 C ATOM 2460 O LEU B 60 9.736 16.419 -22.007 1.00 0.00 O ATOM 2461 CB LEU B 60 6.767 15.575 -22.041 1.00 0.00 C ATOM 2462 CG LEU B 60 5.290 15.684 -21.636 1.00 0.00 C ATOM 2463 CD1 LEU B 60 4.726 14.281 -21.403 1.00 0.00 C ATOM 2464 CD2 LEU B 60 5.146 16.508 -20.348 1.00 0.00 C ATOM 0 H LEU B 60 6.038 17.471 -23.628 1.00 0.00 H new ATOM 0 HA LEU B 60 7.496 17.350 -21.049 1.00 0.00 H new ATOM 0 HB2 LEU B 60 6.849 15.111 -23.024 1.00 0.00 H new ATOM 0 HB3 LEU B 60 7.297 14.931 -21.339 1.00 0.00 H new ATOM 0 HG LEU B 60 4.741 16.181 -22.436 1.00 0.00 H new ATOM 0 HD11 LEU B 60 3.677 14.354 -21.115 1.00 0.00 H new ATOM 0 HD12 LEU B 60 4.811 13.698 -22.320 1.00 0.00 H new ATOM 0 HD13 LEU B 60 5.287 13.791 -20.608 1.00 0.00 H new ATOM 0 HD21 LEU B 60 4.093 16.575 -20.075 1.00 0.00 H new ATOM 0 HD22 LEU B 60 5.699 16.024 -19.543 1.00 0.00 H new ATOM 0 HD23 LEU B 60 5.544 17.510 -20.511 1.00 0.00 H new ATOM 2476 N ASP B 61 9.008 17.291 -23.877 1.00 0.00 N ATOM 2477 CA ASP B 61 10.384 17.223 -24.452 1.00 0.00 C ATOM 2478 C ASP B 61 11.126 18.440 -23.934 1.00 0.00 C ATOM 2479 O ASP B 61 11.508 19.329 -24.669 1.00 0.00 O ATOM 2480 CB ASP B 61 10.355 17.233 -25.984 1.00 0.00 C ATOM 2481 CG ASP B 61 11.737 16.856 -26.515 1.00 0.00 C ATOM 2482 OD1 ASP B 61 12.660 16.799 -25.719 1.00 0.00 O ATOM 2483 OD2 ASP B 61 11.851 16.632 -27.708 1.00 0.00 O ATOM 0 H ASP B 61 8.290 17.677 -24.490 1.00 0.00 H new ATOM 0 HA ASP B 61 10.874 16.296 -24.156 1.00 0.00 H new ATOM 0 HB2 ASP B 61 9.607 16.529 -26.350 1.00 0.00 H new ATOM 0 HB3 ASP B 61 10.069 18.220 -26.348 1.00 0.00 H new ATOM 2488 N GLU B 62 11.288 18.488 -22.650 1.00 0.00 N ATOM 2489 CA GLU B 62 11.958 19.644 -22.006 1.00 0.00 C ATOM 2490 C GLU B 62 13.382 19.790 -22.538 1.00 0.00 C ATOM 2491 O GLU B 62 13.855 20.884 -22.776 1.00 0.00 O ATOM 2492 CB GLU B 62 11.997 19.394 -20.501 1.00 0.00 C ATOM 2493 CG GLU B 62 10.588 19.043 -20.010 1.00 0.00 C ATOM 2494 CD GLU B 62 10.601 18.879 -18.489 1.00 0.00 C ATOM 2495 OE1 GLU B 62 11.682 18.853 -17.924 1.00 0.00 O ATOM 2496 OE2 GLU B 62 9.529 18.775 -17.914 1.00 0.00 O ATOM 0 H GLU B 62 10.979 17.761 -22.005 1.00 0.00 H new ATOM 0 HA GLU B 62 11.411 20.560 -22.226 1.00 0.00 H new ATOM 0 HB2 GLU B 62 12.687 18.581 -20.273 1.00 0.00 H new ATOM 0 HB3 GLU B 62 12.365 20.279 -19.983 1.00 0.00 H new ATOM 0 HG2 GLU B 62 9.887 19.827 -20.295 1.00 0.00 H new ATOM 0 HG3 GLU B 62 10.246 18.122 -20.482 1.00 0.00 H new ATOM 2503 N ASP B 63 14.072 18.702 -22.731 1.00 0.00 N ATOM 2504 CA ASP B 63 15.467 18.791 -23.251 1.00 0.00 C ATOM 2505 C ASP B 63 15.428 18.941 -24.773 1.00 0.00 C ATOM 2506 O ASP B 63 16.437 19.167 -25.411 1.00 0.00 O ATOM 2507 CB ASP B 63 16.236 17.525 -22.871 1.00 0.00 C ATOM 2508 CG ASP B 63 15.578 16.309 -23.521 1.00 0.00 C ATOM 2509 OD1 ASP B 63 14.503 16.468 -24.078 1.00 0.00 O ATOM 2510 OD2 ASP B 63 16.154 15.238 -23.442 1.00 0.00 O ATOM 0 H ASP B 63 13.733 17.757 -22.552 1.00 0.00 H new ATOM 0 HA ASP B 63 15.968 19.655 -22.816 1.00 0.00 H new ATOM 0 HB2 ASP B 63 17.273 17.607 -23.196 1.00 0.00 H new ATOM 0 HB3 ASP B 63 16.250 17.408 -21.787 1.00 0.00 H new ATOM 2515 N GLY B 64 14.265 18.835 -25.359 1.00 0.00 N ATOM 2516 CA GLY B 64 14.158 18.995 -26.841 1.00 0.00 C ATOM 2517 C GLY B 64 14.951 17.897 -27.559 1.00 0.00 C ATOM 2518 O GLY B 64 15.561 18.143 -28.581 1.00 0.00 O ATOM 0 H GLY B 64 13.386 18.645 -24.878 1.00 0.00 H new ATOM 0 HA2 GLY B 64 13.111 18.952 -27.143 1.00 0.00 H new ATOM 0 HA3 GLY B 64 14.534 19.975 -27.135 1.00 0.00 H new ATOM 2522 N ASP B 65 14.950 16.689 -27.043 1.00 0.00 N ATOM 2523 CA ASP B 65 15.708 15.578 -27.711 1.00 0.00 C ATOM 2524 C ASP B 65 14.722 14.629 -28.395 1.00 0.00 C ATOM 2525 O ASP B 65 15.102 13.613 -28.942 1.00 0.00 O ATOM 2526 CB ASP B 65 16.517 14.812 -26.660 1.00 0.00 C ATOM 2527 CG ASP B 65 15.567 14.089 -25.709 1.00 0.00 C ATOM 2528 OD1 ASP B 65 14.403 14.451 -25.684 1.00 0.00 O ATOM 2529 OD2 ASP B 65 16.019 13.189 -25.022 1.00 0.00 O ATOM 0 H ASP B 65 14.458 16.424 -26.190 1.00 0.00 H new ATOM 0 HA ASP B 65 16.385 15.993 -28.457 1.00 0.00 H new ATOM 0 HB2 ASP B 65 17.177 14.094 -27.147 1.00 0.00 H new ATOM 0 HB3 ASP B 65 17.152 15.501 -26.102 1.00 0.00 H new ATOM 2534 N GLY B 66 13.457 14.948 -28.359 1.00 0.00 N ATOM 2535 CA GLY B 66 12.446 14.059 -28.999 1.00 0.00 C ATOM 2536 C GLY B 66 12.146 12.891 -28.059 1.00 0.00 C ATOM 2537 O GLY B 66 11.432 11.968 -28.398 1.00 0.00 O ATOM 0 H GLY B 66 13.080 15.785 -27.914 1.00 0.00 H new ATOM 0 HA2 GLY B 66 11.534 14.617 -29.210 1.00 0.00 H new ATOM 0 HA3 GLY B 66 12.821 13.688 -29.953 1.00 0.00 H new ATOM 2541 N GLU B 67 12.697 12.930 -26.875 1.00 0.00 N ATOM 2542 CA GLU B 67 12.472 11.839 -25.883 1.00 0.00 C ATOM 2543 C GLU B 67 12.303 12.472 -24.495 1.00 0.00 C ATOM 2544 O GLU B 67 13.040 13.362 -24.123 1.00 0.00 O ATOM 2545 CB GLU B 67 13.693 10.916 -25.877 1.00 0.00 C ATOM 2546 CG GLU B 67 14.061 10.551 -27.318 1.00 0.00 C ATOM 2547 CD GLU B 67 15.268 9.611 -27.316 1.00 0.00 C ATOM 2548 OE1 GLU B 67 15.861 9.443 -26.263 1.00 0.00 O ATOM 2549 OE2 GLU B 67 15.578 9.075 -28.367 1.00 0.00 O ATOM 0 H GLU B 67 13.303 13.683 -26.549 1.00 0.00 H new ATOM 0 HA GLU B 67 11.582 11.265 -26.141 1.00 0.00 H new ATOM 0 HB2 GLU B 67 14.534 11.410 -25.389 1.00 0.00 H new ATOM 0 HB3 GLU B 67 13.478 10.013 -25.305 1.00 0.00 H new ATOM 0 HG2 GLU B 67 13.215 10.072 -27.810 1.00 0.00 H new ATOM 0 HG3 GLU B 67 14.291 11.453 -27.885 1.00 0.00 H new ATOM 2556 N CYS B 68 11.347 12.022 -23.718 1.00 0.00 N ATOM 2557 CA CYS B 68 11.143 12.602 -22.349 1.00 0.00 C ATOM 2558 C CYS B 68 11.744 11.650 -21.316 1.00 0.00 C ATOM 2559 O CYS B 68 11.466 10.473 -21.303 1.00 0.00 O ATOM 2560 CB CYS B 68 9.640 12.810 -22.087 1.00 0.00 C ATOM 2561 SG CYS B 68 8.689 11.585 -23.021 1.00 0.00 S ATOM 0 H CYS B 68 10.698 11.277 -23.971 1.00 0.00 H new ATOM 0 HA CYS B 68 11.638 13.570 -22.276 1.00 0.00 H new ATOM 0 HB2 CYS B 68 9.429 12.715 -21.022 1.00 0.00 H new ATOM 0 HB3 CYS B 68 9.345 13.817 -22.382 1.00 0.00 H new ATOM 0 HG CYS B 68 7.703 11.153 -22.292 1.00 0.00 H new ATOM 2567 N ASP B 69 12.574 12.162 -20.459 1.00 0.00 N ATOM 2568 CA ASP B 69 13.221 11.307 -19.426 1.00 0.00 C ATOM 2569 C ASP B 69 12.173 10.869 -18.408 1.00 0.00 C ATOM 2570 O ASP B 69 11.111 11.453 -18.308 1.00 0.00 O ATOM 2571 CB ASP B 69 14.321 12.102 -18.719 1.00 0.00 C ATOM 2572 CG ASP B 69 15.470 12.367 -19.694 1.00 0.00 C ATOM 2573 OD1 ASP B 69 15.514 11.708 -20.720 1.00 0.00 O ATOM 2574 OD2 ASP B 69 16.284 13.227 -19.400 1.00 0.00 O ATOM 0 H ASP B 69 12.837 13.147 -20.427 1.00 0.00 H new ATOM 0 HA ASP B 69 13.660 10.429 -19.900 1.00 0.00 H new ATOM 0 HB2 ASP B 69 13.921 13.045 -18.348 1.00 0.00 H new ATOM 0 HB3 ASP B 69 14.685 11.548 -17.854 1.00 0.00 H new ATOM 2579 N PHE B 70 12.449 9.839 -17.658 1.00 0.00 N ATOM 2580 CA PHE B 70 11.448 9.370 -16.663 1.00 0.00 C ATOM 2581 C PHE B 70 11.031 10.564 -15.798 1.00 0.00 C ATOM 2582 O PHE B 70 9.900 10.670 -15.381 1.00 0.00 O ATOM 2583 CB PHE B 70 12.052 8.227 -15.809 1.00 0.00 C ATOM 2584 CG PHE B 70 12.668 8.746 -14.523 1.00 0.00 C ATOM 2585 CD1 PHE B 70 13.980 9.235 -14.507 1.00 0.00 C ATOM 2586 CD2 PHE B 70 11.915 8.723 -13.344 1.00 0.00 C ATOM 2587 CE1 PHE B 70 14.535 9.703 -13.307 1.00 0.00 C ATOM 2588 CE2 PHE B 70 12.469 9.188 -12.149 1.00 0.00 C ATOM 2589 CZ PHE B 70 13.777 9.678 -12.128 1.00 0.00 C ATOM 0 H PHE B 70 13.318 9.306 -17.691 1.00 0.00 H new ATOM 0 HA PHE B 70 10.565 8.971 -17.162 1.00 0.00 H new ATOM 0 HB2 PHE B 70 11.274 7.501 -15.572 1.00 0.00 H new ATOM 0 HB3 PHE B 70 12.811 7.703 -16.389 1.00 0.00 H new ATOM 0 HD1 PHE B 70 14.563 9.252 -15.416 1.00 0.00 H new ATOM 0 HD2 PHE B 70 10.903 8.345 -13.358 1.00 0.00 H new ATOM 0 HE1 PHE B 70 15.546 10.083 -13.291 1.00 0.00 H new ATOM 0 HE2 PHE B 70 11.886 9.169 -11.240 1.00 0.00 H new ATOM 0 HZ PHE B 70 14.204 10.038 -11.204 1.00 0.00 H new ATOM 2599 N GLN B 71 11.943 11.463 -15.536 1.00 0.00 N ATOM 2600 CA GLN B 71 11.601 12.660 -14.715 1.00 0.00 C ATOM 2601 C GLN B 71 10.677 13.594 -15.509 1.00 0.00 C ATOM 2602 O GLN B 71 9.779 14.200 -14.964 1.00 0.00 O ATOM 2603 CB GLN B 71 12.880 13.406 -14.318 1.00 0.00 C ATOM 2604 CG GLN B 71 13.730 13.675 -15.557 1.00 0.00 C ATOM 2605 CD GLN B 71 15.003 14.419 -15.152 1.00 0.00 C ATOM 2606 OE1 GLN B 71 15.144 14.837 -14.019 1.00 0.00 O ATOM 2607 NE2 GLN B 71 15.946 14.600 -16.036 1.00 0.00 N ATOM 0 H GLN B 71 12.911 11.419 -15.856 1.00 0.00 H new ATOM 0 HA GLN B 71 11.085 12.334 -13.812 1.00 0.00 H new ATOM 0 HB2 GLN B 71 12.626 14.347 -13.829 1.00 0.00 H new ATOM 0 HB3 GLN B 71 13.447 12.816 -13.598 1.00 0.00 H new ATOM 0 HG2 GLN B 71 13.986 12.735 -16.046 1.00 0.00 H new ATOM 0 HG3 GLN B 71 13.165 14.266 -16.277 1.00 0.00 H new ATOM 0 HE21 GLN B 71 15.828 14.249 -16.987 1.00 0.00 H new ATOM 0 HE22 GLN B 71 16.801 15.092 -15.776 1.00 0.00 H new ATOM 2616 N GLU B 72 10.886 13.731 -16.790 1.00 0.00 N ATOM 2617 CA GLU B 72 10.003 14.637 -17.582 1.00 0.00 C ATOM 2618 C GLU B 72 8.589 14.056 -17.610 1.00 0.00 C ATOM 2619 O GLU B 72 7.608 14.754 -17.420 1.00 0.00 O ATOM 2620 CB GLU B 72 10.544 14.741 -19.010 1.00 0.00 C ATOM 2621 CG GLU B 72 11.856 15.529 -19.009 1.00 0.00 C ATOM 2622 CD GLU B 72 12.415 15.594 -20.432 1.00 0.00 C ATOM 2623 OE1 GLU B 72 12.012 16.481 -21.165 1.00 0.00 O ATOM 2624 OE2 GLU B 72 13.238 14.756 -20.763 1.00 0.00 O ATOM 0 H GLU B 72 11.621 13.261 -17.319 1.00 0.00 H new ATOM 0 HA GLU B 72 9.981 15.628 -17.128 1.00 0.00 H new ATOM 0 HB2 GLU B 72 10.707 13.745 -19.421 1.00 0.00 H new ATOM 0 HB3 GLU B 72 9.813 15.234 -19.651 1.00 0.00 H new ATOM 0 HG2 GLU B 72 11.687 16.536 -18.627 1.00 0.00 H new ATOM 0 HG3 GLU B 72 12.578 15.053 -18.345 1.00 0.00 H new ATOM 2631 N PHE B 73 8.478 12.775 -17.817 1.00 0.00 N ATOM 2632 CA PHE B 73 7.136 12.142 -17.828 1.00 0.00 C ATOM 2633 C PHE B 73 6.590 12.154 -16.404 1.00 0.00 C ATOM 2634 O PHE B 73 5.398 12.120 -16.186 1.00 0.00 O ATOM 2635 CB PHE B 73 7.230 10.701 -18.341 1.00 0.00 C ATOM 2636 CG PHE B 73 5.906 10.008 -18.110 1.00 0.00 C ATOM 2637 CD1 PHE B 73 4.869 10.148 -19.038 1.00 0.00 C ATOM 2638 CD2 PHE B 73 5.716 9.240 -16.956 1.00 0.00 C ATOM 2639 CE1 PHE B 73 3.640 9.518 -18.812 1.00 0.00 C ATOM 2640 CE2 PHE B 73 4.488 8.608 -16.731 1.00 0.00 C ATOM 2641 CZ PHE B 73 3.449 8.747 -17.658 1.00 0.00 C ATOM 0 H PHE B 73 9.260 12.140 -17.979 1.00 0.00 H new ATOM 0 HA PHE B 73 6.471 12.695 -18.491 1.00 0.00 H new ATOM 0 HB2 PHE B 73 7.478 10.695 -19.402 1.00 0.00 H new ATOM 0 HB3 PHE B 73 8.029 10.169 -17.824 1.00 0.00 H new ATOM 0 HD1 PHE B 73 5.017 10.742 -19.928 1.00 0.00 H new ATOM 0 HD2 PHE B 73 6.517 9.135 -16.239 1.00 0.00 H new ATOM 0 HE1 PHE B 73 2.838 9.626 -19.528 1.00 0.00 H new ATOM 0 HE2 PHE B 73 4.342 8.013 -15.842 1.00 0.00 H new ATOM 0 HZ PHE B 73 2.501 8.260 -17.484 1.00 0.00 H new ATOM 2651 N MET B 74 7.463 12.205 -15.439 1.00 0.00 N ATOM 2652 CA MET B 74 7.019 12.218 -14.023 1.00 0.00 C ATOM 2653 C MET B 74 6.143 13.444 -13.807 1.00 0.00 C ATOM 2654 O MET B 74 5.155 13.416 -13.093 1.00 0.00 O ATOM 2655 CB MET B 74 8.238 12.294 -13.096 1.00 0.00 C ATOM 2656 CG MET B 74 7.799 12.092 -11.645 1.00 0.00 C ATOM 2657 SD MET B 74 7.506 10.330 -11.351 1.00 0.00 S ATOM 2658 CE MET B 74 6.011 10.493 -10.346 1.00 0.00 C ATOM 0 H MET B 74 8.473 12.238 -15.574 1.00 0.00 H new ATOM 0 HA MET B 74 6.461 11.308 -13.800 1.00 0.00 H new ATOM 0 HB2 MET B 74 8.966 11.532 -13.375 1.00 0.00 H new ATOM 0 HB3 MET B 74 8.730 13.260 -13.206 1.00 0.00 H new ATOM 0 HG2 MET B 74 8.566 12.464 -10.965 1.00 0.00 H new ATOM 0 HG3 MET B 74 6.892 12.662 -11.444 1.00 0.00 H new ATOM 0 HE1 MET B 74 5.936 9.645 -9.666 1.00 0.00 H new ATOM 0 HE2 MET B 74 6.059 11.417 -9.770 1.00 0.00 H new ATOM 0 HE3 MET B 74 5.136 10.515 -10.996 1.00 0.00 H new ATOM 2668 N ALA B 75 6.508 14.532 -14.403 1.00 0.00 N ATOM 2669 CA ALA B 75 5.708 15.762 -14.223 1.00 0.00 C ATOM 2670 C ALA B 75 4.349 15.618 -14.912 1.00 0.00 C ATOM 2671 O ALA B 75 3.349 16.124 -14.444 1.00 0.00 O ATOM 2672 CB ALA B 75 6.477 16.952 -14.811 1.00 0.00 C ATOM 0 H ALA B 75 7.325 14.624 -15.007 1.00 0.00 H new ATOM 0 HA ALA B 75 5.536 15.929 -13.160 1.00 0.00 H new ATOM 0 HB1 ALA B 75 5.892 17.863 -14.682 1.00 0.00 H new ATOM 0 HB2 ALA B 75 7.432 17.058 -14.297 1.00 0.00 H new ATOM 0 HB3 ALA B 75 6.654 16.782 -15.873 1.00 0.00 H new ATOM 2678 N PHE B 76 4.307 14.942 -16.020 1.00 0.00 N ATOM 2679 CA PHE B 76 3.012 14.775 -16.746 1.00 0.00 C ATOM 2680 C PHE B 76 2.008 14.038 -15.867 1.00 0.00 C ATOM 2681 O PHE B 76 0.840 14.344 -15.857 1.00 0.00 O ATOM 2682 CB PHE B 76 3.244 13.980 -18.034 1.00 0.00 C ATOM 2683 CG PHE B 76 1.951 13.884 -18.816 1.00 0.00 C ATOM 2684 CD1 PHE B 76 1.419 15.025 -19.430 1.00 0.00 C ATOM 2685 CD2 PHE B 76 1.283 12.656 -18.927 1.00 0.00 C ATOM 2686 CE1 PHE B 76 0.223 14.940 -20.153 1.00 0.00 C ATOM 2687 CE2 PHE B 76 0.087 12.573 -19.651 1.00 0.00 C ATOM 2688 CZ PHE B 76 -0.442 13.714 -20.264 1.00 0.00 C ATOM 0 H PHE B 76 5.112 14.495 -16.460 1.00 0.00 H new ATOM 0 HA PHE B 76 2.614 15.760 -16.991 1.00 0.00 H new ATOM 0 HB2 PHE B 76 4.010 14.465 -18.639 1.00 0.00 H new ATOM 0 HB3 PHE B 76 3.611 12.982 -17.795 1.00 0.00 H new ATOM 0 HD1 PHE B 76 1.932 15.972 -19.346 1.00 0.00 H new ATOM 0 HD2 PHE B 76 1.691 11.775 -18.454 1.00 0.00 H new ATOM 0 HE1 PHE B 76 -0.186 15.821 -20.625 1.00 0.00 H new ATOM 0 HE2 PHE B 76 -0.427 11.627 -19.736 1.00 0.00 H new ATOM 0 HZ PHE B 76 -1.364 13.648 -20.823 1.00 0.00 H new ATOM 2698 N VAL B 77 2.457 13.056 -15.157 1.00 0.00 N ATOM 2699 CA VAL B 77 1.539 12.259 -14.289 1.00 0.00 C ATOM 2700 C VAL B 77 0.907 13.159 -13.227 1.00 0.00 C ATOM 2701 O VAL B 77 -0.244 13.003 -12.886 1.00 0.00 O ATOM 2702 CB VAL B 77 2.319 11.103 -13.611 1.00 0.00 C ATOM 2703 CG1 VAL B 77 1.473 9.822 -13.560 1.00 0.00 C ATOM 2704 CG2 VAL B 77 3.595 10.833 -14.399 1.00 0.00 C ATOM 0 H VAL B 77 3.433 12.760 -15.134 1.00 0.00 H new ATOM 0 HA VAL B 77 0.748 11.836 -14.908 1.00 0.00 H new ATOM 0 HB VAL B 77 2.559 11.398 -12.589 1.00 0.00 H new ATOM 0 HG11 VAL B 77 2.044 9.028 -13.080 1.00 0.00 H new ATOM 0 HG12 VAL B 77 0.563 10.010 -12.991 1.00 0.00 H new ATOM 0 HG13 VAL B 77 1.211 9.518 -14.574 1.00 0.00 H new ATOM 0 HG21 VAL B 77 4.149 10.021 -13.928 1.00 0.00 H new ATOM 0 HG22 VAL B 77 3.339 10.553 -15.421 1.00 0.00 H new ATOM 0 HG23 VAL B 77 4.211 11.732 -14.413 1.00 0.00 H new ATOM 2714 N SER B 78 1.646 14.083 -12.686 1.00 0.00 N ATOM 2715 CA SER B 78 1.051 14.962 -11.636 1.00 0.00 C ATOM 2716 C SER B 78 -0.080 15.789 -12.247 1.00 0.00 C ATOM 2717 O SER B 78 -1.101 16.021 -11.630 1.00 0.00 O ATOM 2718 CB SER B 78 2.129 15.896 -11.051 1.00 0.00 C ATOM 2719 OG SER B 78 3.180 16.051 -11.995 1.00 0.00 O ATOM 0 H SER B 78 2.622 14.269 -12.918 1.00 0.00 H new ATOM 0 HA SER B 78 0.654 14.342 -10.832 1.00 0.00 H new ATOM 0 HB2 SER B 78 1.694 16.866 -10.811 1.00 0.00 H new ATOM 0 HB3 SER B 78 2.519 15.483 -10.121 1.00 0.00 H new ATOM 0 HG SER B 78 2.800 16.229 -12.881 1.00 0.00 H new ATOM 2725 N MET B 79 0.112 16.259 -13.440 1.00 0.00 N ATOM 2726 CA MET B 79 -0.929 17.102 -14.085 1.00 0.00 C ATOM 2727 C MET B 79 -2.176 16.289 -14.437 1.00 0.00 C ATOM 2728 O MET B 79 -3.293 16.751 -14.285 1.00 0.00 O ATOM 2729 CB MET B 79 -0.332 17.702 -15.358 1.00 0.00 C ATOM 2730 CG MET B 79 0.708 18.773 -14.999 1.00 0.00 C ATOM 2731 SD MET B 79 1.851 19.022 -16.387 1.00 0.00 S ATOM 2732 CE MET B 79 0.641 19.020 -17.735 1.00 0.00 C ATOM 0 H MET B 79 0.948 16.097 -14.002 1.00 0.00 H new ATOM 0 HA MET B 79 -1.234 17.883 -13.389 1.00 0.00 H new ATOM 0 HB2 MET B 79 0.133 16.918 -15.955 1.00 0.00 H new ATOM 0 HB3 MET B 79 -1.122 18.141 -15.968 1.00 0.00 H new ATOM 0 HG2 MET B 79 0.207 19.711 -14.757 1.00 0.00 H new ATOM 0 HG3 MET B 79 1.262 18.469 -14.111 1.00 0.00 H new ATOM 0 HE1 MET B 79 1.066 19.517 -18.607 1.00 0.00 H new ATOM 0 HE2 MET B 79 0.385 17.992 -17.993 1.00 0.00 H new ATOM 0 HE3 MET B 79 -0.258 19.549 -17.418 1.00 0.00 H new ATOM 2742 N VAL B 80 -2.008 15.094 -14.909 1.00 0.00 N ATOM 2743 CA VAL B 80 -3.197 14.277 -15.275 1.00 0.00 C ATOM 2744 C VAL B 80 -3.988 13.923 -14.022 1.00 0.00 C ATOM 2745 O VAL B 80 -5.202 13.912 -14.021 1.00 0.00 O ATOM 2746 CB VAL B 80 -2.764 12.993 -15.970 1.00 0.00 C ATOM 2747 CG1 VAL B 80 -4.011 12.184 -16.327 1.00 0.00 C ATOM 2748 CG2 VAL B 80 -1.994 13.333 -17.245 1.00 0.00 C ATOM 0 H VAL B 80 -1.105 14.645 -15.059 1.00 0.00 H new ATOM 0 HA VAL B 80 -3.821 14.860 -15.952 1.00 0.00 H new ATOM 0 HB VAL B 80 -2.120 12.413 -15.309 1.00 0.00 H new ATOM 0 HG11 VAL B 80 -3.715 11.261 -16.826 1.00 0.00 H new ATOM 0 HG12 VAL B 80 -4.562 11.945 -15.418 1.00 0.00 H new ATOM 0 HG13 VAL B 80 -4.646 12.769 -16.993 1.00 0.00 H new ATOM 0 HG21 VAL B 80 -1.685 12.412 -17.740 1.00 0.00 H new ATOM 0 HG22 VAL B 80 -2.634 13.908 -17.914 1.00 0.00 H new ATOM 0 HG23 VAL B 80 -1.112 13.922 -16.992 1.00 0.00 H new ATOM 2758 N THR B 81 -3.306 13.627 -12.956 1.00 0.00 N ATOM 2759 CA THR B 81 -4.015 13.264 -11.701 1.00 0.00 C ATOM 2760 C THR B 81 -4.884 14.428 -11.290 1.00 0.00 C ATOM 2761 O THR B 81 -5.996 14.269 -10.833 1.00 0.00 O ATOM 2762 CB THR B 81 -3.015 12.995 -10.583 1.00 0.00 C ATOM 2763 OG1 THR B 81 -2.161 11.927 -10.953 1.00 0.00 O ATOM 2764 CG2 THR B 81 -3.774 12.642 -9.298 1.00 0.00 C ATOM 0 H THR B 81 -2.288 13.620 -12.898 1.00 0.00 H new ATOM 0 HA THR B 81 -4.611 12.368 -11.874 1.00 0.00 H new ATOM 0 HB THR B 81 -2.410 13.885 -10.410 1.00 0.00 H new ATOM 0 HG1 THR B 81 -1.501 12.246 -11.604 1.00 0.00 H new ATOM 0 HG21 THR B 81 -3.062 12.449 -8.496 1.00 0.00 H new ATOM 0 HG22 THR B 81 -4.420 13.474 -9.017 1.00 0.00 H new ATOM 0 HG23 THR B 81 -4.381 11.752 -9.466 1.00 0.00 H new ATOM 2772 N THR B 82 -4.368 15.605 -11.446 1.00 0.00 N ATOM 2773 CA THR B 82 -5.132 16.809 -11.064 1.00 0.00 C ATOM 2774 C THR B 82 -6.509 16.733 -11.730 1.00 0.00 C ATOM 2775 O THR B 82 -7.515 17.083 -11.145 1.00 0.00 O ATOM 2776 CB THR B 82 -4.344 18.043 -11.539 1.00 0.00 C ATOM 2777 OG1 THR B 82 -2.960 17.725 -11.554 1.00 0.00 O ATOM 2778 CG2 THR B 82 -4.573 19.211 -10.584 1.00 0.00 C ATOM 0 H THR B 82 -3.439 15.785 -11.826 1.00 0.00 H new ATOM 0 HA THR B 82 -5.272 16.877 -9.985 1.00 0.00 H new ATOM 0 HB THR B 82 -4.682 18.324 -12.537 1.00 0.00 H new ATOM 0 HG1 THR B 82 -2.438 18.542 -11.701 1.00 0.00 H new ATOM 0 HG21 THR B 82 -4.011 20.079 -10.929 1.00 0.00 H new ATOM 0 HG22 THR B 82 -5.635 19.454 -10.555 1.00 0.00 H new ATOM 0 HG23 THR B 82 -4.237 18.935 -9.585 1.00 0.00 H new ATOM 2786 N ALA B 83 -6.561 16.237 -12.934 1.00 0.00 N ATOM 2787 CA ALA B 83 -7.873 16.090 -13.622 1.00 0.00 C ATOM 2788 C ALA B 83 -8.720 15.076 -12.847 1.00 0.00 C ATOM 2789 O ALA B 83 -9.922 15.214 -12.728 1.00 0.00 O ATOM 2790 CB ALA B 83 -7.651 15.592 -15.052 1.00 0.00 C ATOM 0 H ALA B 83 -5.751 15.927 -13.472 1.00 0.00 H new ATOM 0 HA ALA B 83 -8.385 17.051 -13.658 1.00 0.00 H new ATOM 0 HB1 ALA B 83 -8.613 15.485 -15.554 1.00 0.00 H new ATOM 0 HB2 ALA B 83 -7.036 16.309 -15.596 1.00 0.00 H new ATOM 0 HB3 ALA B 83 -7.146 14.626 -15.027 1.00 0.00 H new ATOM 2796 N CYS B 84 -8.095 14.057 -12.322 1.00 0.00 N ATOM 2797 CA CYS B 84 -8.843 13.021 -11.553 1.00 0.00 C ATOM 2798 C CYS B 84 -9.539 13.672 -10.353 1.00 0.00 C ATOM 2799 O CYS B 84 -10.652 13.329 -10.010 1.00 0.00 O ATOM 2800 CB CYS B 84 -7.863 11.951 -11.060 1.00 0.00 C ATOM 2801 SG CYS B 84 -8.771 10.430 -10.685 1.00 0.00 S ATOM 0 H CYS B 84 -7.090 13.897 -12.394 1.00 0.00 H new ATOM 0 HA CYS B 84 -9.593 12.561 -12.196 1.00 0.00 H new ATOM 0 HB2 CYS B 84 -7.106 11.758 -11.820 1.00 0.00 H new ATOM 0 HB3 CYS B 84 -7.339 12.303 -10.171 1.00 0.00 H new ATOM 0 HG CYS B 84 -7.941 9.520 -10.269 1.00 0.00 H new ATOM 2807 N HIS B 85 -8.894 14.610 -9.712 1.00 0.00 N ATOM 2808 CA HIS B 85 -9.521 15.276 -8.536 1.00 0.00 C ATOM 2809 C HIS B 85 -10.820 15.945 -8.976 1.00 0.00 C ATOM 2810 O HIS B 85 -11.819 15.903 -8.286 1.00 0.00 O ATOM 2811 CB HIS B 85 -8.558 16.333 -7.991 1.00 0.00 C ATOM 2812 CG HIS B 85 -9.201 17.071 -6.851 1.00 0.00 C ATOM 2813 ND1 HIS B 85 -9.669 18.371 -6.988 1.00 0.00 N ATOM 2814 CD2 HIS B 85 -9.456 16.715 -5.549 1.00 0.00 C ATOM 2815 CE1 HIS B 85 -10.176 18.747 -5.800 1.00 0.00 C ATOM 2816 NE2 HIS B 85 -10.070 17.775 -4.892 1.00 0.00 N ATOM 0 H HIS B 85 -7.960 14.943 -9.953 1.00 0.00 H new ATOM 0 HA HIS B 85 -9.735 14.542 -7.759 1.00 0.00 H new ATOM 0 HB2 HIS B 85 -7.636 15.859 -7.655 1.00 0.00 H new ATOM 0 HB3 HIS B 85 -8.287 17.033 -8.782 1.00 0.00 H new ATOM 0 HD1 HIS B 85 -9.635 18.938 -7.835 1.00 0.00 H new ATOM 0 HD2 HIS B 85 -9.217 15.760 -5.105 1.00 0.00 H new ATOM 0 HE1 HIS B 85 -10.614 19.715 -5.605 1.00 0.00 H new ATOM 2825 N GLU B 86 -10.820 16.546 -10.129 1.00 0.00 N ATOM 2826 CA GLU B 86 -12.059 17.200 -10.627 1.00 0.00 C ATOM 2827 C GLU B 86 -13.157 16.143 -10.762 1.00 0.00 C ATOM 2828 O GLU B 86 -14.316 16.399 -10.505 1.00 0.00 O ATOM 2829 CB GLU B 86 -11.788 17.837 -11.991 1.00 0.00 C ATOM 2830 CG GLU B 86 -10.858 19.040 -11.818 1.00 0.00 C ATOM 2831 CD GLU B 86 -11.590 20.156 -11.069 1.00 0.00 C ATOM 2832 OE1 GLU B 86 -12.754 20.374 -11.361 1.00 0.00 O ATOM 2833 OE2 GLU B 86 -10.972 20.773 -10.217 1.00 0.00 O ATOM 0 H GLU B 86 -10.014 16.613 -10.750 1.00 0.00 H new ATOM 0 HA GLU B 86 -12.376 17.974 -9.928 1.00 0.00 H new ATOM 0 HB2 GLU B 86 -11.334 17.107 -12.661 1.00 0.00 H new ATOM 0 HB3 GLU B 86 -12.725 18.152 -12.450 1.00 0.00 H new ATOM 0 HG2 GLU B 86 -9.965 18.745 -11.267 1.00 0.00 H new ATOM 0 HG3 GLU B 86 -10.528 19.399 -12.793 1.00 0.00 H new ATOM 2840 N PHE B 87 -12.794 14.956 -11.173 1.00 0.00 N ATOM 2841 CA PHE B 87 -13.800 13.866 -11.338 1.00 0.00 C ATOM 2842 C PHE B 87 -13.944 13.100 -10.024 1.00 0.00 C ATOM 2843 O PHE B 87 -14.962 12.490 -9.761 1.00 0.00 O ATOM 2844 CB PHE B 87 -13.335 12.906 -12.436 1.00 0.00 C ATOM 2845 CG PHE B 87 -14.349 11.800 -12.606 1.00 0.00 C ATOM 2846 CD1 PHE B 87 -14.234 10.622 -11.856 1.00 0.00 C ATOM 2847 CD2 PHE B 87 -15.402 11.948 -13.517 1.00 0.00 C ATOM 2848 CE1 PHE B 87 -15.171 9.595 -12.016 1.00 0.00 C ATOM 2849 CE2 PHE B 87 -16.340 10.920 -13.676 1.00 0.00 C ATOM 2850 CZ PHE B 87 -16.224 9.744 -12.926 1.00 0.00 C ATOM 0 H PHE B 87 -11.836 14.693 -11.403 1.00 0.00 H new ATOM 0 HA PHE B 87 -14.761 14.299 -11.614 1.00 0.00 H new ATOM 0 HB2 PHE B 87 -13.209 13.445 -13.375 1.00 0.00 H new ATOM 0 HB3 PHE B 87 -12.363 12.485 -12.177 1.00 0.00 H new ATOM 0 HD1 PHE B 87 -13.422 10.507 -11.154 1.00 0.00 H new ATOM 0 HD2 PHE B 87 -15.491 12.855 -14.097 1.00 0.00 H new ATOM 0 HE1 PHE B 87 -15.082 8.687 -11.437 1.00 0.00 H new ATOM 0 HE2 PHE B 87 -17.153 11.035 -14.378 1.00 0.00 H new ATOM 0 HZ PHE B 87 -16.947 8.951 -13.049 1.00 0.00 H new ATOM 2860 N PHE B 88 -12.936 13.127 -9.189 1.00 0.00 N ATOM 2861 CA PHE B 88 -13.024 12.402 -7.891 1.00 0.00 C ATOM 2862 C PHE B 88 -13.597 13.364 -6.851 1.00 0.00 C ATOM 2863 O PHE B 88 -12.947 13.732 -5.892 1.00 0.00 O ATOM 2864 CB PHE B 88 -11.615 11.925 -7.471 1.00 0.00 C ATOM 2865 CG PHE B 88 -11.713 10.653 -6.646 1.00 0.00 C ATOM 2866 CD1 PHE B 88 -12.344 10.672 -5.394 1.00 0.00 C ATOM 2867 CD2 PHE B 88 -11.178 9.453 -7.138 1.00 0.00 C ATOM 2868 CE1 PHE B 88 -12.438 9.498 -4.638 1.00 0.00 C ATOM 2869 CE2 PHE B 88 -11.274 8.280 -6.380 1.00 0.00 C ATOM 2870 CZ PHE B 88 -11.904 8.302 -5.131 1.00 0.00 C ATOM 0 H PHE B 88 -12.058 13.620 -9.352 1.00 0.00 H new ATOM 0 HA PHE B 88 -13.669 11.528 -7.978 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -11.005 11.746 -8.357 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -11.117 12.704 -6.893 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -12.758 11.594 -5.013 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -10.692 9.434 -8.102 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -12.923 9.515 -3.673 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -10.861 7.357 -6.760 1.00 0.00 H new ATOM 0 HZ PHE B 88 -11.978 7.396 -4.547 1.00 0.00 H new ATOM 3114 N ARG X 104 20.385 20.289 3.864 1.00 0.00 N ATOM 3115 CA ARG X 104 19.717 19.017 3.485 1.00 0.00 C ATOM 3116 C ARG X 104 18.580 19.321 2.504 1.00 0.00 C ATOM 3117 O ARG X 104 18.394 18.644 1.507 1.00 0.00 O ATOM 3118 CB ARG X 104 19.140 18.383 4.749 1.00 0.00 C ATOM 3119 CG ARG X 104 20.284 17.917 5.649 1.00 0.00 C ATOM 3120 CD ARG X 104 19.701 17.401 6.964 1.00 0.00 C ATOM 3121 NE ARG X 104 20.809 16.974 7.887 1.00 0.00 N ATOM 3122 CZ ARG X 104 21.677 16.053 7.550 1.00 0.00 C ATOM 3123 NH1 ARG X 104 21.515 15.350 6.463 1.00 0.00 N ATOM 3124 NH2 ARG X 104 22.688 15.801 8.336 1.00 0.00 N ATOM 0 HA ARG X 104 20.429 18.338 3.015 1.00 0.00 H new ATOM 0 HB2 ARG X 104 18.516 19.103 5.278 1.00 0.00 H new ATOM 0 HB3 ARG X 104 18.501 17.539 4.487 1.00 0.00 H new ATOM 0 HG2 ARG X 104 20.855 17.131 5.156 1.00 0.00 H new ATOM 0 HG3 ARG X 104 20.973 18.740 5.839 1.00 0.00 H new ATOM 0 HD2 ARG X 104 19.103 18.180 7.437 1.00 0.00 H new ATOM 0 HD3 ARG X 104 19.034 16.561 6.771 1.00 0.00 H new ATOM 0 HE ARG X 104 20.887 17.415 8.803 1.00 0.00 H new ATOM 0 HH11 ARG X 104 20.705 15.515 5.865 1.00 0.00 H new ATOM 0 HH12 ARG X 104 22.198 14.636 6.211 1.00 0.00 H new ATOM 0 HH21 ARG X 104 22.799 16.320 9.207 1.00 0.00 H new ATOM 0 HH22 ARG X 104 23.367 15.085 8.079 1.00 0.00 H new ATOM 3138 N HIS X 105 17.824 20.350 2.778 1.00 0.00 N ATOM 3139 CA HIS X 105 16.706 20.721 1.871 1.00 0.00 C ATOM 3140 C HIS X 105 17.274 21.033 0.488 1.00 0.00 C ATOM 3141 O HIS X 105 16.710 20.667 -0.524 1.00 0.00 O ATOM 3142 CB HIS X 105 15.975 21.942 2.430 1.00 0.00 C ATOM 3143 CG HIS X 105 15.273 21.549 3.701 1.00 0.00 C ATOM 3144 ND1 HIS X 105 15.687 22.006 4.944 1.00 0.00 N ATOM 3145 CD2 HIS X 105 14.200 20.724 3.942 1.00 0.00 C ATOM 3146 CE1 HIS X 105 14.876 21.457 5.869 1.00 0.00 C ATOM 3147 NE2 HIS X 105 13.955 20.670 5.309 1.00 0.00 N ATOM 0 H HIS X 105 17.935 20.950 3.595 1.00 0.00 H new ATOM 0 HA HIS X 105 15.998 19.896 1.794 1.00 0.00 H new ATOM 0 HB2 HIS X 105 16.682 22.749 2.624 1.00 0.00 H new ATOM 0 HB3 HIS X 105 15.255 22.317 1.702 1.00 0.00 H new ATOM 0 HD2 HIS X 105 13.635 20.199 3.186 1.00 0.00 H new ATOM 0 HE1 HIS X 105 14.961 21.632 6.931 1.00 0.00 H new ATOM 0 HE2 HIS X 105 13.225 20.140 5.784 1.00 0.00 H new ATOM 3156 N LYS X 106 18.396 21.698 0.438 1.00 0.00 N ATOM 3157 CA LYS X 106 19.008 22.023 -0.878 1.00 0.00 C ATOM 3158 C LYS X 106 19.283 20.713 -1.604 1.00 0.00 C ATOM 3159 O LYS X 106 19.314 20.648 -2.817 1.00 0.00 O ATOM 3160 CB LYS X 106 20.324 22.789 -0.669 1.00 0.00 C ATOM 3161 CG LYS X 106 20.039 24.200 -0.128 1.00 0.00 C ATOM 3162 CD LYS X 106 19.700 25.161 -1.277 1.00 0.00 C ATOM 3163 CE LYS X 106 19.183 26.477 -0.697 1.00 0.00 C ATOM 3164 NZ LYS X 106 19.195 27.525 -1.756 1.00 0.00 N ATOM 0 H LYS X 106 18.914 22.029 1.252 1.00 0.00 H new ATOM 0 HA LYS X 106 18.334 22.648 -1.464 1.00 0.00 H new ATOM 0 HB2 LYS X 106 20.962 22.246 0.029 1.00 0.00 H new ATOM 0 HB3 LYS X 106 20.867 22.856 -1.611 1.00 0.00 H new ATOM 0 HG2 LYS X 106 19.210 24.164 0.579 1.00 0.00 H new ATOM 0 HG3 LYS X 106 20.908 24.569 0.417 1.00 0.00 H new ATOM 0 HD2 LYS X 106 20.584 25.342 -1.888 1.00 0.00 H new ATOM 0 HD3 LYS X 106 18.948 24.717 -1.928 1.00 0.00 H new ATOM 0 HE2 LYS X 106 18.172 26.345 -0.313 1.00 0.00 H new ATOM 0 HE3 LYS X 106 19.805 26.786 0.143 1.00 0.00 H new ATOM 0 HZ1 LYS X 106 18.592 28.320 -1.464 1.00 0.00 H new ATOM 0 HZ2 LYS X 106 20.168 27.863 -1.899 1.00 0.00 H new ATOM 0 HZ3 LYS X 106 18.834 27.124 -2.645 1.00 0.00 H new ATOM 3178 N LYS X 107 19.463 19.652 -0.876 1.00 0.00 N ATOM 3179 CA LYS X 107 19.703 18.357 -1.548 1.00 0.00 C ATOM 3180 C LYS X 107 18.472 18.080 -2.419 1.00 0.00 C ATOM 3181 O LYS X 107 18.589 17.627 -3.532 1.00 0.00 O ATOM 3182 CB LYS X 107 19.889 17.250 -0.495 1.00 0.00 C ATOM 3183 CG LYS X 107 20.771 16.121 -1.054 1.00 0.00 C ATOM 3184 CD LYS X 107 20.141 15.530 -2.323 1.00 0.00 C ATOM 3185 CE LYS X 107 20.673 14.110 -2.554 1.00 0.00 C ATOM 3186 NZ LYS X 107 22.155 14.146 -2.711 1.00 0.00 N ATOM 0 H LYS X 107 19.454 19.627 0.144 1.00 0.00 H new ATOM 0 HA LYS X 107 20.606 18.383 -2.158 1.00 0.00 H new ATOM 0 HB2 LYS X 107 20.346 17.666 0.403 1.00 0.00 H new ATOM 0 HB3 LYS X 107 18.918 16.851 -0.203 1.00 0.00 H new ATOM 0 HG2 LYS X 107 21.766 16.505 -1.279 1.00 0.00 H new ATOM 0 HG3 LYS X 107 20.893 15.340 -0.303 1.00 0.00 H new ATOM 0 HD2 LYS X 107 19.056 15.510 -2.226 1.00 0.00 H new ATOM 0 HD3 LYS X 107 20.373 16.159 -3.182 1.00 0.00 H new ATOM 0 HE2 LYS X 107 20.402 13.469 -1.715 1.00 0.00 H new ATOM 0 HE3 LYS X 107 20.214 13.680 -3.444 1.00 0.00 H new ATOM 0 HZ1 LYS X 107 22.489 13.227 -3.066 1.00 0.00 H new ATOM 0 HZ2 LYS X 107 22.415 14.893 -3.386 1.00 0.00 H new ATOM 0 HZ3 LYS X 107 22.597 14.343 -1.790 1.00 0.00 H new ATOM 3200 N LEU X 108 17.294 18.382 -1.914 1.00 0.00 N ATOM 3201 CA LEU X 108 16.038 18.169 -2.713 1.00 0.00 C ATOM 3202 C LEU X 108 16.043 19.109 -3.939 1.00 0.00 C ATOM 3203 O LEU X 108 15.586 18.764 -5.012 1.00 0.00 O ATOM 3204 CB LEU X 108 14.804 18.477 -1.837 1.00 0.00 C ATOM 3205 CG LEU X 108 13.567 17.703 -2.360 1.00 0.00 C ATOM 3206 CD1 LEU X 108 13.500 16.317 -1.705 1.00 0.00 C ATOM 3207 CD2 LEU X 108 12.280 18.486 -2.038 1.00 0.00 C ATOM 0 H LEU X 108 17.148 18.768 -0.981 1.00 0.00 H new ATOM 0 HA LEU X 108 15.995 17.132 -3.046 1.00 0.00 H new ATOM 0 HB2 LEU X 108 15.005 18.199 -0.803 1.00 0.00 H new ATOM 0 HB3 LEU X 108 14.602 19.548 -1.845 1.00 0.00 H new ATOM 0 HG LEU X 108 13.657 17.587 -3.440 1.00 0.00 H new ATOM 0 HD11 LEU X 108 12.628 15.780 -2.078 1.00 0.00 H new ATOM 0 HD12 LEU X 108 14.403 15.756 -1.947 1.00 0.00 H new ATOM 0 HD13 LEU X 108 13.422 16.429 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU X 108 11.416 17.935 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU X 108 12.192 18.614 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU X 108 12.320 19.464 -2.518 1.00 0.00 H new ATOM 3219 N MET X 109 16.542 20.305 -3.779 1.00 0.00 N ATOM 3220 CA MET X 109 16.565 21.270 -4.920 1.00 0.00 C ATOM 3221 C MET X 109 17.194 20.608 -6.152 1.00 0.00 C ATOM 3222 O MET X 109 16.966 21.033 -7.265 1.00 0.00 O ATOM 3223 CB MET X 109 17.351 22.537 -4.545 1.00 0.00 C ATOM 3224 CG MET X 109 16.471 23.465 -3.704 1.00 0.00 C ATOM 3225 SD MET X 109 15.661 22.516 -2.393 1.00 0.00 S ATOM 3226 CE MET X 109 14.684 23.874 -1.702 1.00 0.00 C ATOM 0 H MET X 109 16.936 20.658 -2.907 1.00 0.00 H new ATOM 0 HA MET X 109 15.539 21.557 -5.151 1.00 0.00 H new ATOM 0 HB2 MET X 109 18.248 22.268 -3.987 1.00 0.00 H new ATOM 0 HB3 MET X 109 17.680 23.052 -5.448 1.00 0.00 H new ATOM 0 HG2 MET X 109 17.076 24.261 -3.269 1.00 0.00 H new ATOM 0 HG3 MET X 109 15.722 23.943 -4.336 1.00 0.00 H new ATOM 0 HE1 MET X 109 14.094 23.507 -0.862 1.00 0.00 H new ATOM 0 HE2 MET X 109 15.351 24.664 -1.359 1.00 0.00 H new ATOM 0 HE3 MET X 109 14.018 24.269 -2.468 1.00 0.00 H new ATOM 3236 N PHE X 110 18.014 19.601 -5.964 1.00 0.00 N ATOM 3237 CA PHE X 110 18.687 18.938 -7.137 1.00 0.00 C ATOM 3238 C PHE X 110 17.696 18.821 -8.306 1.00 0.00 C ATOM 3239 O PHE X 110 17.997 19.161 -9.433 1.00 0.00 O ATOM 3240 CB PHE X 110 19.177 17.527 -6.728 1.00 0.00 C ATOM 3241 CG PHE X 110 18.070 16.491 -6.898 1.00 0.00 C ATOM 3242 CD1 PHE X 110 17.064 16.360 -5.934 1.00 0.00 C ATOM 3243 CD2 PHE X 110 18.052 15.670 -8.034 1.00 0.00 C ATOM 3244 CE1 PHE X 110 16.045 15.421 -6.102 1.00 0.00 C ATOM 3245 CE2 PHE X 110 17.031 14.725 -8.200 1.00 0.00 C ATOM 3246 CZ PHE X 110 16.027 14.603 -7.232 1.00 0.00 C ATOM 0 H PHE X 110 18.249 19.207 -5.053 1.00 0.00 H new ATOM 0 HA PHE X 110 19.541 19.540 -7.448 1.00 0.00 H new ATOM 0 HB2 PHE X 110 20.038 17.247 -7.335 1.00 0.00 H new ATOM 0 HB3 PHE X 110 19.510 17.541 -5.690 1.00 0.00 H new ATOM 0 HD1 PHE X 110 17.076 16.989 -5.056 1.00 0.00 H new ATOM 0 HD2 PHE X 110 18.825 15.766 -8.782 1.00 0.00 H new ATOM 0 HE1 PHE X 110 15.269 15.328 -5.356 1.00 0.00 H new ATOM 0 HE2 PHE X 110 17.019 14.091 -9.074 1.00 0.00 H new ATOM 0 HZ PHE X 110 15.239 13.876 -7.360 1.00 0.00 H new ATOM 3256 N LYS X 111 16.516 18.355 -8.028 1.00 0.00 N ATOM 3257 CA LYS X 111 15.486 18.222 -9.091 1.00 0.00 C ATOM 3258 C LYS X 111 15.028 19.617 -9.513 1.00 0.00 C ATOM 3259 O LYS X 111 14.678 19.847 -10.648 1.00 0.00 O ATOM 3260 CB LYS X 111 14.300 17.456 -8.512 1.00 0.00 C ATOM 3261 CG LYS X 111 13.624 18.326 -7.447 1.00 0.00 C ATOM 3262 CD LYS X 111 12.912 17.463 -6.418 1.00 0.00 C ATOM 3263 CE LYS X 111 12.177 18.396 -5.473 1.00 0.00 C ATOM 3264 NZ LYS X 111 11.420 17.600 -4.466 1.00 0.00 N ATOM 0 H LYS X 111 16.217 18.057 -7.100 1.00 0.00 H new ATOM 0 HA LYS X 111 15.891 17.694 -9.954 1.00 0.00 H new ATOM 0 HB2 LYS X 111 13.591 17.206 -9.301 1.00 0.00 H new ATOM 0 HB3 LYS X 111 14.635 16.516 -8.074 1.00 0.00 H new ATOM 0 HG2 LYS X 111 14.370 18.949 -6.953 1.00 0.00 H new ATOM 0 HG3 LYS X 111 12.910 18.999 -7.921 1.00 0.00 H new ATOM 0 HD2 LYS X 111 12.214 16.782 -6.905 1.00 0.00 H new ATOM 0 HD3 LYS X 111 13.627 16.849 -5.871 1.00 0.00 H new ATOM 0 HE2 LYS X 111 12.887 19.054 -4.971 1.00 0.00 H new ATOM 0 HE3 LYS X 111 11.494 19.033 -6.035 1.00 0.00 H new ATOM 0 HZ1 LYS X 111 10.918 18.243 -3.821 1.00 0.00 H new ATOM 0 HZ2 LYS X 111 10.732 16.990 -4.952 1.00 0.00 H new ATOM 0 HZ3 LYS X 111 12.081 17.010 -3.921 1.00 0.00 H new ATOM 3278 N THR X 112 15.010 20.544 -8.588 1.00 0.00 N ATOM 3279 CA THR X 112 14.565 21.929 -8.927 1.00 0.00 C ATOM 3280 C THR X 112 15.488 22.490 -10.011 1.00 0.00 C ATOM 3281 O THR X 112 15.061 23.194 -10.905 1.00 0.00 O ATOM 3282 CB THR X 112 14.621 22.824 -7.683 1.00 0.00 C ATOM 3283 OG1 THR X 112 13.854 22.233 -6.644 1.00 0.00 O ATOM 3284 CG2 THR X 112 14.039 24.199 -8.017 1.00 0.00 C ATOM 0 H THR X 112 15.284 20.402 -7.616 1.00 0.00 H new ATOM 0 HA THR X 112 13.537 21.904 -9.289 1.00 0.00 H new ATOM 0 HB THR X 112 15.656 22.933 -7.361 1.00 0.00 H new ATOM 0 HG1 THR X 112 13.889 22.802 -5.847 1.00 0.00 H new ATOM 0 HG21 THR X 112 14.079 24.835 -7.133 1.00 0.00 H new ATOM 0 HG22 THR X 112 14.620 24.655 -8.819 1.00 0.00 H new ATOM 0 HG23 THR X 112 13.003 24.088 -8.338 1.00 0.00 H new ATOM 3292 N GLU X 113 16.754 22.181 -9.932 1.00 0.00 N ATOM 3293 CA GLU X 113 17.727 22.682 -10.945 1.00 0.00 C ATOM 3294 CB GLU X 113 17.226 22.379 -12.376 1.00 0.00 C ATOM 3295 CG GLU X 113 16.403 21.070 -12.405 1.00 0.00 C ATOM 3296 CD GLU X 113 16.577 20.369 -13.758 1.00 0.00 C ATOM 3297 OE1 GLU X 113 17.588 19.708 -13.935 1.00 0.00 O ATOM 3298 OE2 GLU X 113 15.698 20.507 -14.592 1.00 0.00 O ATOM 0 H GLU X 113 17.160 21.597 -9.201 1.00 0.00 H new ATOM 0 HB2 GLU X 113 16.614 23.207 -12.734 1.00 0.00 H new ATOM 0 HB3 GLU X 113 18.076 22.294 -13.053 1.00 0.00 H new ATOM 0 HG2 GLU X 113 16.726 20.410 -11.600 1.00 0.00 H new ATOM 0 HG3 GLU X 113 15.349 21.290 -12.233 1.00 0.00 H new ATOM 3493 N ARG Y 104 -10.838 16.263 -27.980 1.00 0.00 N ATOM 3494 CA ARG Y 104 -10.877 15.603 -26.649 1.00 0.00 C ATOM 3495 C ARG Y 104 -9.547 15.848 -25.927 1.00 0.00 C ATOM 3496 O ARG Y 104 -9.504 16.154 -24.748 1.00 0.00 O ATOM 3497 CB ARG Y 104 -11.072 14.102 -26.858 1.00 0.00 C ATOM 3498 CG ARG Y 104 -12.461 13.846 -27.444 1.00 0.00 C ATOM 3499 CD ARG Y 104 -12.607 12.354 -27.739 1.00 0.00 C ATOM 3500 NE ARG Y 104 -13.957 12.076 -28.336 1.00 0.00 N ATOM 3501 CZ ARG Y 104 -15.064 12.359 -27.701 1.00 0.00 C ATOM 3502 NH1 ARG Y 104 -15.034 12.748 -26.457 1.00 0.00 N ATOM 3503 NH2 ARG Y 104 -16.211 12.205 -28.302 1.00 0.00 N ATOM 0 HA ARG Y 104 -11.694 16.006 -26.051 1.00 0.00 H new ATOM 0 HB2 ARG Y 104 -10.305 13.715 -27.529 1.00 0.00 H new ATOM 0 HB3 ARG Y 104 -10.962 13.575 -25.910 1.00 0.00 H new ATOM 0 HG2 ARG Y 104 -13.231 14.169 -26.743 1.00 0.00 H new ATOM 0 HG3 ARG Y 104 -12.598 14.426 -28.357 1.00 0.00 H new ATOM 0 HD2 ARG Y 104 -11.824 12.033 -28.426 1.00 0.00 H new ATOM 0 HD3 ARG Y 104 -12.481 11.780 -26.821 1.00 0.00 H new ATOM 0 HE ARG Y 104 -14.011 11.654 -29.263 1.00 0.00 H new ATOM 0 HH11 ARG Y 104 -14.141 12.834 -25.971 1.00 0.00 H new ATOM 0 HH12 ARG Y 104 -15.903 12.967 -25.970 1.00 0.00 H new ATOM 0 HH21 ARG Y 104 -16.242 11.865 -29.263 1.00 0.00 H new ATOM 0 HH22 ARG Y 104 -17.078 12.424 -27.811 1.00 0.00 H new ATOM 3517 N HIS Y 105 -8.459 15.727 -26.638 1.00 0.00 N ATOM 3518 CA HIS Y 105 -7.128 15.960 -26.018 1.00 0.00 C ATOM 3519 C HIS Y 105 -7.071 17.392 -25.494 1.00 0.00 C ATOM 3520 O HIS Y 105 -6.556 17.655 -24.426 1.00 0.00 O ATOM 3521 CB HIS Y 105 -6.030 15.733 -27.057 1.00 0.00 C ATOM 3522 CG HIS Y 105 -5.995 14.272 -27.412 1.00 0.00 C ATOM 3523 ND1 HIS Y 105 -6.387 13.808 -28.660 1.00 0.00 N ATOM 3524 CD2 HIS Y 105 -5.640 13.157 -26.691 1.00 0.00 C ATOM 3525 CE1 HIS Y 105 -6.260 12.468 -28.652 1.00 0.00 C ATOM 3526 NE2 HIS Y 105 -5.809 12.024 -27.478 1.00 0.00 N ATOM 0 H HIS Y 105 -8.437 15.475 -27.626 1.00 0.00 H new ATOM 0 HA HIS Y 105 -6.975 15.266 -25.192 1.00 0.00 H new ATOM 0 HB2 HIS Y 105 -6.222 16.333 -27.946 1.00 0.00 H new ATOM 0 HB3 HIS Y 105 -5.065 16.049 -26.661 1.00 0.00 H new ATOM 0 HD1 HIS Y 105 -6.712 14.378 -29.441 1.00 0.00 H new ATOM 0 HD2 HIS Y 105 -5.285 13.161 -25.671 1.00 0.00 H new ATOM 0 HE1 HIS Y 105 -6.494 11.831 -29.492 1.00 0.00 H new ATOM 3535 N LYS Y 106 -7.614 18.322 -26.234 1.00 0.00 N ATOM 3536 CA LYS Y 106 -7.604 19.736 -25.773 1.00 0.00 C ATOM 3537 C LYS Y 106 -8.339 19.802 -24.440 1.00 0.00 C ATOM 3538 O LYS Y 106 -8.092 20.659 -23.615 1.00 0.00 O ATOM 3539 CB LYS Y 106 -8.312 20.629 -26.803 1.00 0.00 C ATOM 3540 CG LYS Y 106 -7.468 20.739 -28.084 1.00 0.00 C ATOM 3541 CD LYS Y 106 -6.390 21.822 -27.931 1.00 0.00 C ATOM 3542 CE LYS Y 106 -5.420 21.738 -29.108 1.00 0.00 C ATOM 3543 NZ LYS Y 106 -4.612 22.989 -29.175 1.00 0.00 N ATOM 0 H LYS Y 106 -8.063 18.162 -27.136 1.00 0.00 H new ATOM 0 HA LYS Y 106 -6.579 20.088 -25.659 1.00 0.00 H new ATOM 0 HB2 LYS Y 106 -9.292 20.216 -27.040 1.00 0.00 H new ATOM 0 HB3 LYS Y 106 -8.477 21.621 -26.382 1.00 0.00 H new ATOM 0 HG2 LYS Y 106 -6.999 19.779 -28.300 1.00 0.00 H new ATOM 0 HG3 LYS Y 106 -8.112 20.977 -28.931 1.00 0.00 H new ATOM 0 HD2 LYS Y 106 -6.852 22.809 -27.895 1.00 0.00 H new ATOM 0 HD3 LYS Y 106 -5.853 21.687 -26.992 1.00 0.00 H new ATOM 0 HE2 LYS Y 106 -4.765 20.875 -28.992 1.00 0.00 H new ATOM 0 HE3 LYS Y 106 -5.971 21.598 -30.038 1.00 0.00 H new ATOM 0 HZ1 LYS Y 106 -3.951 22.933 -29.976 1.00 0.00 H new ATOM 0 HZ2 LYS Y 106 -5.245 23.804 -29.304 1.00 0.00 H new ATOM 0 HZ3 LYS Y 106 -4.076 23.104 -28.291 1.00 0.00 H new ATOM 3557 N LYS Y 107 -9.231 18.888 -24.204 1.00 0.00 N ATOM 3558 CA LYS Y 107 -9.943 18.903 -22.908 1.00 0.00 C ATOM 3559 C LYS Y 107 -8.875 18.755 -21.820 1.00 0.00 C ATOM 3560 O LYS Y 107 -8.927 19.405 -20.803 1.00 0.00 O ATOM 3561 CB LYS Y 107 -10.951 17.738 -22.852 1.00 0.00 C ATOM 3562 CG LYS Y 107 -12.121 18.087 -21.916 1.00 0.00 C ATOM 3563 CD LYS Y 107 -11.602 18.378 -20.501 1.00 0.00 C ATOM 3564 CE LYS Y 107 -12.737 18.202 -19.483 1.00 0.00 C ATOM 3565 NZ LYS Y 107 -13.873 19.098 -19.840 1.00 0.00 N ATOM 0 H LYS Y 107 -9.494 18.140 -24.846 1.00 0.00 H new ATOM 0 HA LYS Y 107 -10.505 19.827 -22.769 1.00 0.00 H new ATOM 0 HB2 LYS Y 107 -11.328 17.526 -23.853 1.00 0.00 H new ATOM 0 HB3 LYS Y 107 -10.453 16.834 -22.501 1.00 0.00 H new ATOM 0 HG2 LYS Y 107 -12.656 18.955 -22.300 1.00 0.00 H new ATOM 0 HG3 LYS Y 107 -12.832 17.261 -21.887 1.00 0.00 H new ATOM 0 HD2 LYS Y 107 -10.778 17.706 -20.261 1.00 0.00 H new ATOM 0 HD3 LYS Y 107 -11.210 19.394 -20.450 1.00 0.00 H new ATOM 0 HE2 LYS Y 107 -13.070 17.164 -19.470 1.00 0.00 H new ATOM 0 HE3 LYS Y 107 -12.379 18.434 -18.480 1.00 0.00 H new ATOM 0 HZ1 LYS Y 107 -14.532 19.159 -19.038 1.00 0.00 H new ATOM 0 HZ2 LYS Y 107 -13.510 20.047 -20.063 1.00 0.00 H new ATOM 0 HZ3 LYS Y 107 -14.371 18.714 -20.669 1.00 0.00 H new ATOM 3579 N LEU Y 108 -7.889 17.913 -22.051 1.00 0.00 N ATOM 3580 CA LEU Y 108 -6.785 17.729 -21.046 1.00 0.00 C ATOM 3581 C LEU Y 108 -5.978 19.041 -20.920 1.00 0.00 C ATOM 3582 O LEU Y 108 -5.519 19.413 -19.856 1.00 0.00 O ATOM 3583 CB LEU Y 108 -5.846 16.591 -21.507 1.00 0.00 C ATOM 3584 CG LEU Y 108 -5.131 15.959 -20.286 1.00 0.00 C ATOM 3585 CD1 LEU Y 108 -5.980 14.817 -19.713 1.00 0.00 C ATOM 3586 CD2 LEU Y 108 -3.752 15.411 -20.703 1.00 0.00 C ATOM 0 H LEU Y 108 -7.801 17.345 -22.893 1.00 0.00 H new ATOM 0 HA LEU Y 108 -7.217 17.472 -20.079 1.00 0.00 H new ATOM 0 HB2 LEU Y 108 -6.418 15.829 -22.037 1.00 0.00 H new ATOM 0 HB3 LEU Y 108 -5.108 16.980 -22.208 1.00 0.00 H new ATOM 0 HG LEU Y 108 -4.997 16.728 -19.525 1.00 0.00 H new ATOM 0 HD11 LEU Y 108 -5.469 14.379 -18.855 1.00 0.00 H new ATOM 0 HD12 LEU Y 108 -6.949 15.206 -19.399 1.00 0.00 H new ATOM 0 HD13 LEU Y 108 -6.126 14.053 -20.477 1.00 0.00 H new ATOM 0 HD21 LEU Y 108 -3.259 14.969 -19.837 1.00 0.00 H new ATOM 0 HD22 LEU Y 108 -3.880 14.651 -21.474 1.00 0.00 H new ATOM 0 HD23 LEU Y 108 -3.140 16.224 -21.093 1.00 0.00 H new ATOM 3598 N MET Y 109 -5.789 19.739 -22.009 1.00 0.00 N ATOM 3599 CA MET Y 109 -5.007 21.011 -21.961 1.00 0.00 C ATOM 3600 C MET Y 109 -5.559 21.922 -20.858 1.00 0.00 C ATOM 3601 O MET Y 109 -4.867 22.795 -20.376 1.00 0.00 O ATOM 3602 CB MET Y 109 -5.064 21.733 -23.317 1.00 0.00 C ATOM 3603 CG MET Y 109 -4.067 21.094 -24.288 1.00 0.00 C ATOM 3604 SD MET Y 109 -4.252 19.293 -24.256 1.00 0.00 S ATOM 3605 CE MET Y 109 -2.911 18.908 -25.409 1.00 0.00 C ATOM 0 H MET Y 109 -6.143 19.483 -22.931 1.00 0.00 H new ATOM 0 HA MET Y 109 -3.967 20.771 -21.741 1.00 0.00 H new ATOM 0 HB2 MET Y 109 -6.072 21.676 -23.727 1.00 0.00 H new ATOM 0 HB3 MET Y 109 -4.832 22.790 -23.186 1.00 0.00 H new ATOM 0 HG2 MET Y 109 -4.237 21.469 -25.297 1.00 0.00 H new ATOM 0 HG3 MET Y 109 -3.049 21.370 -24.013 1.00 0.00 H new ATOM 0 HE1 MET Y 109 -2.888 17.834 -25.595 1.00 0.00 H new ATOM 0 HE2 MET Y 109 -3.076 19.436 -26.348 1.00 0.00 H new ATOM 0 HE3 MET Y 109 -1.960 19.222 -24.979 1.00 0.00 H new ATOM 3615 N PHE Y 110 -6.805 21.755 -20.480 1.00 0.00 N ATOM 3616 CA PHE Y 110 -7.405 22.646 -19.425 1.00 0.00 C ATOM 3617 C PHE Y 110 -6.372 22.910 -18.319 1.00 0.00 C ATOM 3618 O PHE Y 110 -6.152 24.032 -17.907 1.00 0.00 O ATOM 3619 CB PHE Y 110 -8.655 21.963 -18.814 1.00 0.00 C ATOM 3620 CG PHE Y 110 -8.266 21.028 -17.673 1.00 0.00 C ATOM 3621 CD1 PHE Y 110 -7.764 19.749 -17.939 1.00 0.00 C ATOM 3622 CD2 PHE Y 110 -8.400 21.457 -16.346 1.00 0.00 C ATOM 3623 CE1 PHE Y 110 -7.393 18.906 -16.890 1.00 0.00 C ATOM 3624 CE2 PHE Y 110 -8.033 20.608 -15.294 1.00 0.00 C ATOM 3625 CZ PHE Y 110 -7.527 19.332 -15.569 1.00 0.00 C ATOM 0 H PHE Y 110 -7.434 21.044 -20.853 1.00 0.00 H new ATOM 0 HA PHE Y 110 -7.696 23.593 -19.880 1.00 0.00 H new ATOM 0 HB2 PHE Y 110 -9.345 22.722 -18.447 1.00 0.00 H new ATOM 0 HB3 PHE Y 110 -9.180 21.401 -19.586 1.00 0.00 H new ATOM 0 HD1 PHE Y 110 -7.663 19.413 -18.960 1.00 0.00 H new ATOM 0 HD2 PHE Y 110 -8.787 22.443 -16.134 1.00 0.00 H new ATOM 0 HE1 PHE Y 110 -7.001 17.922 -17.102 1.00 0.00 H new ATOM 0 HE2 PHE Y 110 -8.140 20.938 -14.271 1.00 0.00 H new ATOM 0 HZ PHE Y 110 -7.241 18.678 -14.759 1.00 0.00 H new ATOM 3635 N LYS Y 111 -5.733 21.877 -17.857 1.00 0.00 N ATOM 3636 CA LYS Y 111 -4.703 22.038 -16.798 1.00 0.00 C ATOM 3637 C LYS Y 111 -3.485 22.742 -17.396 1.00 0.00 C ATOM 3638 O LYS Y 111 -2.796 23.480 -16.728 1.00 0.00 O ATOM 3639 CB LYS Y 111 -4.296 20.650 -16.310 1.00 0.00 C ATOM 3640 CG LYS Y 111 -3.543 19.927 -17.435 1.00 0.00 C ATOM 3641 CD LYS Y 111 -3.698 18.420 -17.309 1.00 0.00 C ATOM 3642 CE LYS Y 111 -2.855 17.785 -18.399 1.00 0.00 C ATOM 3643 NZ LYS Y 111 -2.904 16.299 -18.277 1.00 0.00 N ATOM 0 H LYS Y 111 -5.881 20.918 -18.171 1.00 0.00 H new ATOM 0 HA LYS Y 111 -5.095 22.627 -15.969 1.00 0.00 H new ATOM 0 HB2 LYS Y 111 -3.664 20.732 -15.426 1.00 0.00 H new ATOM 0 HB3 LYS Y 111 -5.178 20.079 -16.020 1.00 0.00 H new ATOM 0 HG2 LYS Y 111 -3.922 20.256 -18.402 1.00 0.00 H new ATOM 0 HG3 LYS Y 111 -2.486 20.192 -17.400 1.00 0.00 H new ATOM 0 HD2 LYS Y 111 -3.372 18.081 -16.325 1.00 0.00 H new ATOM 0 HD3 LYS Y 111 -4.744 18.131 -17.415 1.00 0.00 H new ATOM 0 HE2 LYS Y 111 -3.222 18.091 -19.379 1.00 0.00 H new ATOM 0 HE3 LYS Y 111 -1.824 18.131 -18.322 1.00 0.00 H new ATOM 0 HZ1 LYS Y 111 -2.311 15.870 -19.016 1.00 0.00 H new ATOM 0 HZ2 LYS Y 111 -2.550 16.016 -17.341 1.00 0.00 H new ATOM 0 HZ3 LYS Y 111 -3.885 15.974 -18.389 1.00 0.00 H new ATOM 3657 N THR Y 112 -3.208 22.493 -18.652 1.00 0.00 N ATOM 3658 CA THR Y 112 -2.027 23.139 -19.298 1.00 0.00 C ATOM 3659 C THR Y 112 -2.202 24.658 -19.243 1.00 0.00 C ATOM 3660 O THR Y 112 -1.258 25.399 -19.057 1.00 0.00 O ATOM 3661 CB THR Y 112 -1.911 22.685 -20.758 1.00 0.00 C ATOM 3662 OG1 THR Y 112 -1.870 21.266 -20.808 1.00 0.00 O ATOM 3663 CG2 THR Y 112 -0.625 23.247 -21.365 1.00 0.00 C ATOM 0 H THR Y 112 -3.748 21.872 -19.255 1.00 0.00 H new ATOM 0 HA THR Y 112 -1.119 22.850 -18.769 1.00 0.00 H new ATOM 0 HB THR Y 112 -2.771 23.048 -21.321 1.00 0.00 H new ATOM 0 HG1 THR Y 112 -1.798 20.973 -21.741 1.00 0.00 H new ATOM 0 HG21 THR Y 112 -0.542 22.925 -22.403 1.00 0.00 H new ATOM 0 HG22 THR Y 112 -0.649 24.336 -21.324 1.00 0.00 H new ATOM 0 HG23 THR Y 112 0.233 22.881 -20.801 1.00 0.00 H new ATOM 3671 N GLU Y 113 -3.412 25.122 -19.402 1.00 0.00 N ATOM 3672 CA GLU Y 113 -3.675 26.590 -19.361 1.00 0.00 C ATOM 3673 CB GLU Y 113 -3.062 27.213 -18.086 1.00 0.00 C ATOM 3674 CG GLU Y 113 -3.092 26.202 -16.915 1.00 0.00 C ATOM 3675 CD GLU Y 113 -3.263 26.944 -15.584 1.00 0.00 C ATOM 3676 OE1 GLU Y 113 -4.387 27.296 -15.265 1.00 0.00 O ATOM 3677 OE2 GLU Y 113 -2.267 27.149 -14.910 1.00 0.00 O ATOM 0 H GLU Y 113 -4.236 24.542 -19.560 1.00 0.00 H new ATOM 0 HB2 GLU Y 113 -2.034 27.519 -18.283 1.00 0.00 H new ATOM 0 HB3 GLU Y 113 -3.615 28.111 -17.812 1.00 0.00 H new ATOM 0 HG2 GLU Y 113 -3.911 25.496 -17.055 1.00 0.00 H new ATOM 0 HG3 GLU Y 113 -2.169 25.622 -16.901 1.00 0.00 H new