USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 1057 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 NoAdj-H: B 99 HIS HD1 : B 99 HIS ND1 : B 138 ZNZN :(H bumps) USER MOD NoAdj-H: B 102 HIS HD1 : B 102 HIS ND1 : B 138 ZNZN :(H bumps) USER MOD NoAdj-H: B 129 HIS HD1 : B 129 HIS ND1 : B 139 ZNZN :(H bumps) USER MOD Set 1.1: A 58 LYS NZ :NH3+ -111:sc= -0.359 (180deg=-2.94!) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.0212 K(o=-0.38,f=-2.7!) USER MOD Set 2.1: A 48 ASN : amide:sc= -26.3! C(o=-27!,f=-20!) USER MOD Set 2.2: A 52 GLN : amide:sc= -0.972 K(o=-27,f=-25) USER MOD Set 3.1: A 31 MET CE :methyl -155:sc= -1.2 (180deg=-3.27!) USER MOD Set 3.2: A 46 CYS SG : rot 13:sc= 0.616 USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -175:sc= -0.332 (180deg=-0.512) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 HIS : no HE2:sc= -0.949 X(o=-0.95,f=-1.3) USER MOD Single : A 10 GLN : amide:sc= -1.46 K(o=-1.5,f=-2.1!) USER MOD Single : A 11 THR OG1 : rot -123:sc= 1.26 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 161:sc= -2.73! USER MOD Single : A 19 THR OG1 : rot -149:sc= -5.03! USER MOD Single : A 24 ASN : amide:sc= -1.89 K(o=-1.9,f=-0.25) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.151) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -146:sc= -16.8! (180deg=-18.7!) USER MOD Single : A 39 ASN : amide:sc= -0.0408 K(o=-0.041,f=-2!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 90:sc= -3.41! USER MOD Single : A 71 HIS : no HD1:sc= -0.674 K(o=-0.67,f=-1.8!) USER MOD Single : B 73 SER OG : rot 180:sc= 0 USER MOD Single : B 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 92 ASN : amide:sc= -4.25! K(o=-4.2!,f=-0.39) USER MOD Single : B 94 MET CE :methyl -159:sc= -1.2 (180deg=-3.22!) USER MOD Single : B 96 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.102) USER MOD Single : B 97 GLN : amide:sc= -7.09! K(o=-7.1!,f=-1.8) USER MOD Single : B 107 LYS NZ :NH3+ -154:sc= -1.09 (180deg=-2.7!) USER MOD Single : B 110 LYS NZ :NH3+ 163:sc= -0.148 (180deg=-0.928) USER MOD Single : B 115 HIS : no HD1:sc= -1.72 K(o=-1.7,f=-0.58) USER MOD Single : B 117 HIS : no HD1:sc= -0.448 K(o=-0.45,f=-1.1) USER MOD Single : B 118 TYR OH : rot 4:sc= -0.609 USER MOD Single : B 121 LYS NZ :NH3+ -164:sc= -0.0047 (180deg=-0.204) USER MOD Single : B 125 TYR OH : rot 150:sc= 0 USER MOD Single : B 128 THR OG1 : rot 180:sc= 0 USER MOD Single : B 130 TYR OH : rot -108:sc= 0.722 USER MOD Single : B 131 ASN : amide:sc= -0.593 K(o=-0.59,f=-5.5!) USER MOD Single : B 132 GLN : amide:sc= -0.643 K(o=-0.64,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -12.006 -10.655 -27.869 1.00 0.00 N ATOM 2 CA GLN A 1 -10.841 -10.211 -28.687 1.00 0.00 C ATOM 3 C GLN A 1 -9.887 -9.395 -27.812 1.00 0.00 C ATOM 4 O GLN A 1 -8.928 -8.821 -28.291 1.00 0.00 O ATOM 5 CB GLN A 1 -11.334 -9.344 -29.848 1.00 0.00 C ATOM 6 CG GLN A 1 -12.330 -10.140 -30.692 1.00 0.00 C ATOM 7 CD GLN A 1 -12.588 -9.403 -32.008 1.00 0.00 C ATOM 8 OE1 GLN A 1 -12.148 -9.832 -33.055 1.00 0.00 O ATOM 9 NE2 GLN A 1 -13.287 -8.302 -31.997 1.00 0.00 N ATOM 0 H1 GLN A 1 -12.612 -11.280 -28.438 1.00 0.00 H new ATOM 0 H2 GLN A 1 -11.666 -11.171 -27.032 1.00 0.00 H new ATOM 0 H3 GLN A 1 -12.553 -9.825 -27.565 1.00 0.00 H new ATOM 0 HA GLN A 1 -10.319 -11.083 -29.081 1.00 0.00 H new ATOM 0 HB2 GLN A 1 -11.807 -8.440 -29.465 1.00 0.00 H new ATOM 0 HB3 GLN A 1 -10.491 -9.028 -30.463 1.00 0.00 H new ATOM 0 HG2 GLN A 1 -11.938 -11.137 -30.892 1.00 0.00 H new ATOM 0 HG3 GLN A 1 -13.264 -10.269 -30.146 1.00 0.00 H new ATOM 0 HE21 GLN A 1 -13.657 -7.941 -31.117 1.00 0.00 H new ATOM 0 HE22 GLN A 1 -13.464 -7.802 -32.868 1.00 0.00 H new ATOM 20 N GLY A 2 -10.141 -9.340 -26.532 1.00 0.00 N ATOM 21 CA GLY A 2 -9.245 -8.562 -25.630 1.00 0.00 C ATOM 22 C GLY A 2 -9.580 -8.888 -24.174 1.00 0.00 C ATOM 23 O GLY A 2 -10.189 -8.101 -23.475 1.00 0.00 O ATOM 0 H GLY A 2 -10.928 -9.799 -26.073 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -8.203 -8.804 -25.838 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -9.366 -7.494 -25.812 1.00 0.00 H new ATOM 27 N SER A 3 -9.186 -10.040 -23.707 1.00 0.00 N ATOM 28 CA SER A 3 -9.482 -10.413 -22.295 1.00 0.00 C ATOM 29 C SER A 3 -8.564 -11.557 -21.864 1.00 0.00 C ATOM 30 O SER A 3 -8.952 -12.423 -21.107 1.00 0.00 O ATOM 31 CB SER A 3 -10.941 -10.858 -22.182 1.00 0.00 C ATOM 32 OG SER A 3 -11.138 -12.023 -22.973 1.00 0.00 O ATOM 0 H SER A 3 -8.672 -10.740 -24.242 1.00 0.00 H new ATOM 0 HA SER A 3 -9.313 -9.552 -21.649 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.191 -11.064 -21.141 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.604 -10.060 -22.517 1.00 0.00 H new ATOM 0 HG SER A 3 -12.072 -12.313 -22.902 1.00 0.00 H new ATOM 38 N ARG A 4 -7.349 -11.564 -22.337 1.00 0.00 N ATOM 39 CA ARG A 4 -6.406 -12.651 -21.949 1.00 0.00 C ATOM 40 C ARG A 4 -5.965 -12.438 -20.500 1.00 0.00 C ATOM 41 O ARG A 4 -5.872 -11.322 -20.029 1.00 0.00 O ATOM 42 CB ARG A 4 -5.181 -12.619 -22.869 1.00 0.00 C ATOM 43 CG ARG A 4 -4.225 -13.756 -22.490 1.00 0.00 C ATOM 44 CD ARG A 4 -3.046 -13.791 -23.466 1.00 0.00 C ATOM 45 NE ARG A 4 -3.542 -13.713 -24.883 1.00 0.00 N ATOM 46 CZ ARG A 4 -4.397 -14.578 -25.363 1.00 0.00 C ATOM 47 NH1 ARG A 4 -4.716 -15.643 -24.681 1.00 0.00 N ATOM 48 NH2 ARG A 4 -4.891 -14.403 -26.558 1.00 0.00 N ATOM 0 H ARG A 4 -6.968 -10.865 -22.975 1.00 0.00 H new ATOM 0 HA ARG A 4 -6.901 -13.618 -22.043 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.491 -12.722 -23.909 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.673 -11.659 -22.782 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.862 -13.614 -21.472 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -4.753 -14.709 -22.510 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.372 -12.959 -23.263 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.474 -14.708 -23.323 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.202 -12.964 -25.487 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.298 -15.806 -23.765 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.384 -16.312 -25.063 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -4.610 -13.595 -27.113 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -5.558 -15.075 -26.937 1.00 0.00 H new ATOM 62 N VAL A 5 -5.690 -13.496 -19.788 1.00 0.00 N ATOM 63 CA VAL A 5 -5.256 -13.341 -18.372 1.00 0.00 C ATOM 64 C VAL A 5 -3.895 -12.644 -18.335 1.00 0.00 C ATOM 65 O VAL A 5 -2.860 -13.278 -18.414 1.00 0.00 O ATOM 66 CB VAL A 5 -5.147 -14.721 -17.720 1.00 0.00 C ATOM 67 CG1 VAL A 5 -4.843 -14.560 -16.230 1.00 0.00 C ATOM 68 CG2 VAL A 5 -6.471 -15.470 -17.891 1.00 0.00 C ATOM 0 H VAL A 5 -5.747 -14.457 -20.124 1.00 0.00 H new ATOM 0 HA VAL A 5 -5.985 -12.742 -17.827 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.344 -15.285 -18.195 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.766 -15.543 -15.766 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.901 -14.025 -16.107 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.645 -13.996 -15.754 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -6.395 -16.453 -17.427 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -7.273 -14.905 -17.415 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -6.689 -15.585 -18.953 1.00 0.00 H new ATOM 78 N LEU A 6 -3.893 -11.340 -18.202 1.00 0.00 N ATOM 79 CA LEU A 6 -2.614 -10.567 -18.141 1.00 0.00 C ATOM 80 C LEU A 6 -2.582 -9.810 -16.820 1.00 0.00 C ATOM 81 O LEU A 6 -1.657 -9.921 -16.041 1.00 0.00 O ATOM 82 CB LEU A 6 -2.558 -9.567 -19.303 1.00 0.00 C ATOM 83 CG LEU A 6 -2.357 -10.312 -20.638 1.00 0.00 C ATOM 84 CD1 LEU A 6 -2.839 -9.431 -21.795 1.00 0.00 C ATOM 85 CD2 LEU A 6 -0.870 -10.638 -20.852 1.00 0.00 C ATOM 0 H LEU A 6 -4.736 -10.771 -18.132 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.762 -11.242 -18.215 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.480 -8.986 -19.337 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.742 -8.861 -19.146 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.929 -11.239 -20.607 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.696 -9.959 -22.738 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.897 -9.203 -21.663 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.267 -8.503 -21.808 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.745 -11.164 -21.799 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.294 -9.713 -20.872 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.515 -11.269 -20.037 1.00 0.00 H new ATOM 97 N HIS A 7 -3.605 -9.041 -16.563 1.00 0.00 N ATOM 98 CA HIS A 7 -3.675 -8.265 -15.296 1.00 0.00 C ATOM 99 C HIS A 7 -5.132 -8.191 -14.841 1.00 0.00 C ATOM 100 O HIS A 7 -5.767 -7.162 -14.931 1.00 0.00 O ATOM 101 CB HIS A 7 -3.140 -6.851 -15.531 1.00 0.00 C ATOM 102 CG HIS A 7 -1.731 -6.930 -16.054 1.00 0.00 C ATOM 103 ND1 HIS A 7 -0.662 -7.285 -15.247 1.00 0.00 N ATOM 104 CD2 HIS A 7 -1.204 -6.700 -17.300 1.00 0.00 C ATOM 105 CE1 HIS A 7 0.445 -7.259 -16.010 1.00 0.00 C ATOM 106 NE2 HIS A 7 0.173 -6.908 -17.270 1.00 0.00 N ATOM 0 H HIS A 7 -4.404 -8.917 -17.185 1.00 0.00 H new ATOM 0 HA HIS A 7 -3.072 -8.753 -14.530 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -3.775 -6.324 -16.243 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -3.163 -6.282 -14.601 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -0.707 -7.522 -14.256 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -1.770 -6.403 -18.171 1.00 0.00 H new ATOM 0 HE1 HIS A 7 1.435 -7.494 -15.648 1.00 0.00 H new ATOM 114 N VAL A 8 -5.665 -9.270 -14.333 1.00 0.00 N ATOM 115 CA VAL A 8 -7.074 -9.244 -13.860 1.00 0.00 C ATOM 116 C VAL A 8 -7.103 -8.370 -12.612 1.00 0.00 C ATOM 117 O VAL A 8 -6.078 -8.175 -11.993 1.00 0.00 O ATOM 118 CB VAL A 8 -7.524 -10.667 -13.519 1.00 0.00 C ATOM 119 CG1 VAL A 8 -8.994 -10.655 -13.109 1.00 0.00 C ATOM 120 CG2 VAL A 8 -7.352 -11.567 -14.747 1.00 0.00 C ATOM 0 H VAL A 8 -5.185 -10.164 -14.226 1.00 0.00 H new ATOM 0 HA VAL A 8 -7.744 -8.850 -14.624 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.918 -11.048 -12.697 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -9.312 -11.669 -12.867 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.123 -10.016 -12.236 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -9.598 -10.272 -13.931 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.673 -12.580 -14.503 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.957 -11.182 -15.568 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -6.303 -11.580 -15.045 1.00 0.00 H new ATOM 130 N VAL A 9 -8.235 -7.813 -12.224 1.00 0.00 N ATOM 131 CA VAL A 9 -8.215 -6.939 -11.010 1.00 0.00 C ATOM 132 C VAL A 9 -9.512 -7.060 -10.209 1.00 0.00 C ATOM 133 O VAL A 9 -10.604 -6.962 -10.736 1.00 0.00 O ATOM 134 CB VAL A 9 -7.998 -5.471 -11.432 1.00 0.00 C ATOM 135 CG1 VAL A 9 -6.881 -5.385 -12.479 1.00 0.00 C ATOM 136 CG2 VAL A 9 -9.286 -4.912 -12.042 1.00 0.00 C ATOM 0 H VAL A 9 -9.140 -7.923 -12.681 1.00 0.00 H new ATOM 0 HA VAL A 9 -7.395 -7.267 -10.371 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.721 -4.892 -10.551 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.735 -4.345 -12.771 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.956 -5.777 -12.057 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.157 -5.972 -13.355 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.128 -3.875 -12.339 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -9.560 -5.502 -12.917 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.088 -4.961 -11.306 1.00 0.00 H new ATOM 146 N GLN A 10 -9.381 -7.251 -8.922 1.00 0.00 N ATOM 147 CA GLN A 10 -10.571 -7.360 -8.031 1.00 0.00 C ATOM 148 C GLN A 10 -10.794 -6.017 -7.329 1.00 0.00 C ATOM 149 O GLN A 10 -9.890 -5.448 -6.749 1.00 0.00 O ATOM 150 CB GLN A 10 -10.327 -8.447 -6.981 1.00 0.00 C ATOM 151 CG GLN A 10 -10.323 -9.820 -7.653 1.00 0.00 C ATOM 152 CD GLN A 10 -10.101 -10.904 -6.596 1.00 0.00 C ATOM 153 OE1 GLN A 10 -9.094 -10.903 -5.912 1.00 0.00 O ATOM 154 NE2 GLN A 10 -10.998 -11.834 -6.429 1.00 0.00 N ATOM 0 H GLN A 10 -8.484 -7.337 -8.444 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.449 -7.619 -8.622 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -9.375 -8.274 -6.479 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.102 -8.408 -6.216 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.269 -9.987 -8.168 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.537 -9.866 -8.407 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -11.842 -11.837 -7.001 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.856 -12.559 -5.726 1.00 0.00 H new ATOM 163 N THR A 11 -11.993 -5.510 -7.383 1.00 0.00 N ATOM 164 CA THR A 11 -12.295 -4.206 -6.730 1.00 0.00 C ATOM 165 C THR A 11 -12.107 -4.305 -5.230 1.00 0.00 C ATOM 166 O THR A 11 -12.221 -5.353 -4.625 1.00 0.00 O ATOM 167 CB THR A 11 -13.739 -3.832 -7.015 1.00 0.00 C ATOM 168 OG1 THR A 11 -13.962 -3.868 -8.414 1.00 0.00 O ATOM 169 CG2 THR A 11 -14.056 -2.430 -6.472 1.00 0.00 C ATOM 0 H THR A 11 -12.784 -5.947 -7.856 1.00 0.00 H new ATOM 0 HA THR A 11 -11.616 -3.450 -7.126 1.00 0.00 H new ATOM 0 HB THR A 11 -14.394 -4.547 -6.517 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.286 -2.994 -8.716 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.096 -2.183 -6.687 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.895 -2.412 -5.394 1.00 0.00 H new ATOM 0 HG23 THR A 11 -13.403 -1.699 -6.949 1.00 0.00 H new ATOM 177 N LEU A 12 -11.833 -3.189 -4.638 1.00 5.40 N ATOM 178 CA LEU A 12 -11.635 -3.105 -3.162 1.00 9.02 C ATOM 179 C LEU A 12 -12.774 -2.254 -2.600 1.00 10.54 C ATOM 180 O LEU A 12 -13.044 -2.266 -1.417 1.00 10.21 O ATOM 181 CB LEU A 12 -10.289 -2.401 -2.844 1.00 7.97 C ATOM 182 CG LEU A 12 -9.008 -3.160 -3.358 1.00 7.96 C ATOM 183 CD1 LEU A 12 -7.767 -2.308 -3.085 1.00 6.40 C ATOM 184 CD2 LEU A 12 -8.777 -4.527 -2.692 1.00 6.66 C ATOM 0 H LEU A 12 -11.733 -2.298 -5.125 1.00 5.40 H new ATOM 0 HA LEU A 12 -11.624 -4.104 -2.725 1.00 9.02 H new ATOM 0 HB2 LEU A 12 -10.304 -1.404 -3.284 1.00 7.97 H new ATOM 0 HB3 LEU A 12 -10.209 -2.272 -1.765 1.00 7.97 H new ATOM 0 HG LEU A 12 -9.176 -3.330 -4.421 1.00 7.96 H new ATOM 0 HD11 LEU A 12 -6.880 -2.833 -3.440 1.00 6.40 H new ATOM 0 HD12 LEU A 12 -7.858 -1.355 -3.606 1.00 6.40 H new ATOM 0 HD13 LEU A 12 -7.677 -2.129 -2.014 1.00 6.40 H new ATOM 0 HD21 LEU A 12 -7.876 -4.984 -3.101 1.00 6.66 H new ATOM 0 HD22 LEU A 12 -8.659 -4.393 -1.617 1.00 6.66 H new ATOM 0 HD23 LEU A 12 -9.632 -5.175 -2.885 1.00 6.66 H new ATOM 196 N TYR A 13 -13.445 -1.507 -3.443 1.00 12.19 N ATOM 197 CA TYR A 13 -14.570 -0.648 -2.937 1.00 12.32 C ATOM 198 C TYR A 13 -15.659 -0.472 -4.026 1.00 14.17 C ATOM 199 O TYR A 13 -15.328 -0.376 -5.191 1.00 14.79 O ATOM 200 CB TYR A 13 -14.014 0.731 -2.564 1.00 14.83 C ATOM 201 CG TYR A 13 -12.710 0.566 -1.819 1.00 15.75 C ATOM 202 CD1 TYR A 13 -12.718 0.207 -0.466 1.00 18.39 C ATOM 203 CD2 TYR A 13 -11.492 0.773 -2.480 1.00 10.85 C ATOM 204 CE1 TYR A 13 -11.511 0.057 0.227 1.00 12.56 C ATOM 205 CE2 TYR A 13 -10.284 0.623 -1.788 1.00 10.94 C ATOM 206 CZ TYR A 13 -10.294 0.266 -0.435 1.00 12.35 C ATOM 207 OH TYR A 13 -9.103 0.118 0.247 1.00 12.20 O ATOM 0 H TYR A 13 -13.269 -1.452 -4.446 1.00 12.19 H new ATOM 0 HA TYR A 13 -15.016 -1.131 -2.068 1.00 12.32 H new ATOM 0 HB2 TYR A 13 -13.858 1.327 -3.463 1.00 14.83 H new ATOM 0 HB3 TYR A 13 -14.732 1.269 -1.946 1.00 14.83 H new ATOM 0 HD1 TYR A 13 -13.656 0.046 0.044 1.00 18.39 H new ATOM 0 HD2 TYR A 13 -11.485 1.049 -3.524 1.00 10.85 H new ATOM 0 HE1 TYR A 13 -11.518 -0.220 1.271 1.00 12.56 H new ATOM 0 HE2 TYR A 13 -9.345 0.783 -2.298 1.00 10.94 H new ATOM 0 HH TYR A 13 -8.354 0.298 -0.359 1.00 12.20 H new ATOM 217 N PRO A 14 -16.934 -0.402 -3.632 1.00 0.00 N ATOM 218 CA PRO A 14 -18.033 -0.200 -4.607 1.00 0.00 C ATOM 219 C PRO A 14 -18.002 1.254 -5.104 1.00 0.00 C ATOM 220 O PRO A 14 -18.725 2.102 -4.619 1.00 0.00 O ATOM 221 CB PRO A 14 -19.321 -0.465 -3.800 1.00 0.00 C ATOM 222 CG PRO A 14 -18.933 -0.393 -2.298 1.00 0.00 C ATOM 223 CD PRO A 14 -17.394 -0.521 -2.222 1.00 0.00 C ATOM 0 HA PRO A 14 -17.958 -0.849 -5.479 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -20.085 0.275 -4.038 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -19.737 -1.442 -4.045 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -19.264 0.548 -1.859 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -19.415 -1.193 -1.736 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -16.962 0.261 -1.597 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -17.097 -1.476 -1.788 1.00 0.00 H new ATOM 231 N PHE A 15 -17.158 1.557 -6.048 1.00 0.00 N ATOM 232 CA PHE A 15 -17.075 2.961 -6.548 1.00 0.00 C ATOM 233 C PHE A 15 -18.306 3.319 -7.374 1.00 0.00 C ATOM 234 O PHE A 15 -19.115 2.479 -7.715 1.00 0.00 O ATOM 235 CB PHE A 15 -15.839 3.125 -7.427 1.00 0.00 C ATOM 236 CG PHE A 15 -15.597 4.595 -7.742 1.00 0.00 C ATOM 237 CD1 PHE A 15 -15.432 5.535 -6.709 1.00 0.00 C ATOM 238 CD2 PHE A 15 -15.533 5.020 -9.080 1.00 0.00 C ATOM 239 CE1 PHE A 15 -15.205 6.882 -7.016 1.00 0.00 C ATOM 240 CE2 PHE A 15 -15.306 6.370 -9.380 1.00 0.00 C ATOM 241 CZ PHE A 15 -15.142 7.299 -8.350 1.00 0.00 C ATOM 0 H PHE A 15 -16.522 0.897 -6.496 1.00 0.00 H new ATOM 0 HA PHE A 15 -17.017 3.622 -5.683 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -14.968 2.708 -6.921 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -15.968 2.565 -8.353 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -15.480 5.217 -5.678 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -15.659 4.304 -9.879 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -15.078 7.601 -6.221 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -15.258 6.693 -10.410 1.00 0.00 H new ATOM 0 HZ PHE A 15 -14.967 8.339 -8.583 1.00 0.00 H new ATOM 251 N SER A 16 -18.443 4.579 -7.700 1.00 0.00 N ATOM 252 CA SER A 16 -19.609 5.034 -8.516 1.00 0.00 C ATOM 253 C SER A 16 -19.133 6.032 -9.569 1.00 0.00 C ATOM 254 O SER A 16 -18.733 7.138 -9.266 1.00 0.00 O ATOM 255 CB SER A 16 -20.645 5.700 -7.609 1.00 0.00 C ATOM 256 OG SER A 16 -21.241 4.714 -6.776 1.00 0.00 O ATOM 0 H SER A 16 -17.792 5.318 -7.434 1.00 0.00 H new ATOM 0 HA SER A 16 -20.064 4.174 -9.009 1.00 0.00 H new ATOM 0 HB2 SER A 16 -20.171 6.470 -7.000 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.408 6.194 -8.210 1.00 0.00 H new ATOM 0 HG SER A 16 -21.905 5.137 -6.192 1.00 0.00 H new ATOM 262 N SER A 17 -19.177 5.631 -10.809 1.00 0.00 N ATOM 263 CA SER A 17 -18.735 6.514 -11.924 1.00 0.00 C ATOM 264 C SER A 17 -19.783 6.440 -13.036 1.00 0.00 C ATOM 265 O SER A 17 -19.943 5.420 -13.675 1.00 0.00 O ATOM 266 CB SER A 17 -17.367 6.022 -12.413 1.00 0.00 C ATOM 267 OG SER A 17 -16.581 7.137 -12.799 1.00 0.00 O ATOM 0 H SER A 17 -19.507 4.711 -11.102 1.00 0.00 H new ATOM 0 HA SER A 17 -18.638 7.551 -11.604 1.00 0.00 H new ATOM 0 HB2 SER A 17 -16.864 5.464 -11.623 1.00 0.00 H new ATOM 0 HB3 SER A 17 -17.492 5.341 -13.255 1.00 0.00 H new ATOM 0 HG SER A 17 -15.636 6.880 -12.818 1.00 0.00 H new ATOM 273 N VAL A 18 -20.498 7.515 -13.274 1.00 0.00 N ATOM 274 CA VAL A 18 -21.537 7.508 -14.332 1.00 0.00 C ATOM 275 C VAL A 18 -21.346 8.723 -15.226 1.00 0.00 C ATOM 276 O VAL A 18 -21.852 9.803 -14.988 1.00 0.00 O ATOM 277 CB VAL A 18 -22.924 7.559 -13.676 1.00 0.00 C ATOM 278 CG1 VAL A 18 -23.206 6.236 -12.961 1.00 0.00 C ATOM 279 CG2 VAL A 18 -22.963 8.702 -12.656 1.00 0.00 C ATOM 0 H VAL A 18 -20.399 8.398 -12.773 1.00 0.00 H new ATOM 0 HA VAL A 18 -21.453 6.601 -14.931 1.00 0.00 H new ATOM 0 HB VAL A 18 -23.679 7.725 -14.444 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -24.191 6.276 -12.497 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -23.178 5.419 -13.682 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -22.450 6.069 -12.194 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -23.947 8.740 -12.189 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -22.205 8.533 -11.891 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -22.765 9.647 -13.161 1.00 0.00 H new ATOM 289 N THR A 19 -20.642 8.504 -16.275 1.00 38.32 N ATOM 290 CA THR A 19 -20.384 9.563 -17.295 1.00 37.06 C ATOM 291 C THR A 19 -20.361 8.892 -18.657 1.00 36.60 C ATOM 292 O THR A 19 -20.964 7.858 -18.872 1.00 36.42 O ATOM 293 CB THR A 19 -19.026 10.255 -17.041 1.00 37.05 C ATOM 294 OG1 THR A 19 -18.628 10.030 -15.697 1.00 37.96 O ATOM 295 CG2 THR A 19 -19.147 11.765 -17.283 1.00 37.86 C ATOM 0 H THR A 19 -20.212 7.604 -16.489 1.00 38.32 H new ATOM 0 HA THR A 19 -21.163 10.323 -17.242 1.00 37.06 H new ATOM 0 HB THR A 19 -18.285 9.841 -17.725 1.00 37.05 H new ATOM 0 HG1 THR A 19 -18.102 10.794 -15.379 1.00 37.96 H new ATOM 0 HG21 THR A 19 -18.184 12.241 -17.101 1.00 37.86 H new ATOM 0 HG22 THR A 19 -19.451 11.945 -18.314 1.00 37.86 H new ATOM 0 HG23 THR A 19 -19.892 12.183 -16.606 1.00 37.86 H new ATOM 303 N GLU A 20 -19.641 9.458 -19.563 1.00 36.33 N ATOM 304 CA GLU A 20 -19.514 8.890 -20.882 1.00 36.39 C ATOM 305 C GLU A 20 -18.432 7.800 -20.796 1.00 30.94 C ATOM 306 O GLU A 20 -18.644 6.671 -21.193 1.00 31.73 O ATOM 307 CB GLU A 20 -19.150 10.065 -21.797 1.00 41.00 C ATOM 308 CG GLU A 20 -20.326 10.968 -21.909 1.00 49.07 C ATOM 309 CD GLU A 20 -20.346 11.962 -20.748 1.00 52.00 C ATOM 310 OE1 GLU A 20 -19.505 11.839 -19.874 1.00 55.13 O ATOM 311 OE2 GLU A 20 -21.205 12.830 -20.752 1.00 54.38 O ATOM 0 H GLU A 20 -19.121 10.324 -19.422 1.00 36.33 H new ATOM 0 HA GLU A 20 -20.412 8.414 -21.276 1.00 36.39 H new ATOM 0 HB2 GLU A 20 -18.295 10.607 -21.393 1.00 41.00 H new ATOM 0 HB3 GLU A 20 -18.859 9.700 -22.782 1.00 41.00 H new ATOM 0 HG2 GLU A 20 -20.291 11.506 -22.856 1.00 49.07 H new ATOM 0 HG3 GLU A 20 -21.245 10.381 -21.910 1.00 49.07 H new ATOM 318 N GLU A 21 -17.266 8.145 -20.315 1.00 0.00 N ATOM 319 CA GLU A 21 -16.149 7.192 -20.227 1.00 0.00 C ATOM 320 C GLU A 21 -15.866 6.815 -18.756 1.00 0.00 C ATOM 321 O GLU A 21 -14.746 6.512 -18.398 1.00 0.00 O ATOM 322 CB GLU A 21 -14.955 7.926 -20.839 1.00 0.00 C ATOM 323 CG GLU A 21 -14.588 9.103 -19.953 1.00 0.00 C ATOM 324 CD GLU A 21 -13.410 9.870 -20.562 1.00 0.00 C ATOM 325 OE1 GLU A 21 -12.842 9.381 -21.520 1.00 0.00 O ATOM 326 OE2 GLU A 21 -13.096 10.934 -20.054 1.00 0.00 O ATOM 0 H GLU A 21 -17.048 9.080 -19.972 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.365 6.259 -20.747 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.106 7.249 -20.935 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -15.201 8.273 -21.843 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -15.446 9.766 -19.842 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -14.326 8.750 -18.955 1.00 0.00 H new ATOM 333 N GLU A 22 -16.861 6.839 -17.902 1.00 0.00 N ATOM 334 CA GLU A 22 -16.634 6.495 -16.455 1.00 0.00 C ATOM 335 C GLU A 22 -17.089 5.044 -16.188 1.00 0.00 C ATOM 336 O GLU A 22 -17.961 4.525 -16.855 1.00 0.00 O ATOM 337 CB GLU A 22 -17.433 7.498 -15.591 1.00 0.00 C ATOM 338 CG GLU A 22 -16.507 8.609 -15.051 1.00 0.00 C ATOM 339 CD GLU A 22 -15.999 9.464 -16.213 1.00 0.00 C ATOM 340 OE1 GLU A 22 -16.247 9.091 -17.349 1.00 0.00 O ATOM 341 OE2 GLU A 22 -15.371 10.475 -15.948 1.00 0.00 O ATOM 0 H GLU A 22 -17.822 7.082 -18.141 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.576 6.564 -16.202 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.233 7.941 -16.184 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.905 6.975 -14.760 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.047 9.231 -14.337 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.666 8.167 -14.516 1.00 0.00 H new ATOM 348 N LEU A 23 -16.470 4.380 -15.224 1.00 11.68 N ATOM 349 CA LEU A 23 -16.822 2.946 -14.915 1.00 7.71 C ATOM 350 C LEU A 23 -17.510 2.837 -13.544 1.00 8.71 C ATOM 351 O LEU A 23 -16.882 3.006 -12.518 1.00 10.83 O ATOM 352 CB LEU A 23 -15.514 2.118 -14.865 1.00 7.16 C ATOM 353 CG LEU A 23 -15.757 0.587 -14.976 1.00 8.46 C ATOM 354 CD1 LEU A 23 -17.056 0.156 -14.289 1.00 6.77 C ATOM 355 CD2 LEU A 23 -15.809 0.161 -16.438 1.00 2.00 C ATOM 0 H LEU A 23 -15.734 4.773 -14.638 1.00 11.68 H new ATOM 0 HA LEU A 23 -17.498 2.576 -15.686 1.00 7.71 H new ATOM 0 HB2 LEU A 23 -14.859 2.436 -15.676 1.00 7.16 H new ATOM 0 HB3 LEU A 23 -14.992 2.330 -13.932 1.00 7.16 H new ATOM 0 HG LEU A 23 -14.923 0.100 -14.471 1.00 8.46 H new ATOM 0 HD11 LEU A 23 -17.182 -0.922 -14.393 1.00 6.77 H new ATOM 0 HD12 LEU A 23 -17.012 0.416 -13.231 1.00 6.77 H new ATOM 0 HD13 LEU A 23 -17.900 0.667 -14.753 1.00 6.77 H new ATOM 0 HD21 LEU A 23 -15.980 -0.914 -16.498 1.00 2.00 H new ATOM 0 HD22 LEU A 23 -16.621 0.686 -16.941 1.00 2.00 H new ATOM 0 HD23 LEU A 23 -14.864 0.406 -16.922 1.00 2.00 H new ATOM 367 N ASN A 24 -18.776 2.511 -13.511 1.00 0.00 N ATOM 368 CA ASN A 24 -19.472 2.334 -12.197 1.00 0.00 C ATOM 369 C ASN A 24 -19.425 0.841 -11.881 1.00 0.00 C ATOM 370 O ASN A 24 -19.784 0.030 -12.711 1.00 0.00 O ATOM 371 CB ASN A 24 -20.936 2.793 -12.307 1.00 0.00 C ATOM 372 CG ASN A 24 -21.741 2.279 -11.108 1.00 0.00 C ATOM 373 OD1 ASN A 24 -22.887 1.906 -11.247 1.00 0.00 O ATOM 374 ND2 ASN A 24 -21.181 2.241 -9.929 1.00 0.00 N ATOM 0 H ASN A 24 -19.359 2.359 -14.334 1.00 0.00 H new ATOM 0 HA ASN A 24 -18.992 2.924 -11.416 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -20.982 3.881 -12.346 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -21.373 2.422 -13.234 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -21.707 1.898 -9.125 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -20.217 2.554 -9.812 1.00 0.00 H new ATOM 381 N PHE A 25 -18.964 0.443 -10.720 1.00 6.72 N ATOM 382 CA PHE A 25 -18.897 -1.016 -10.451 1.00 6.82 C ATOM 383 C PHE A 25 -18.997 -1.298 -8.962 1.00 7.56 C ATOM 384 O PHE A 25 -18.467 -0.580 -8.136 1.00 6.07 O ATOM 385 CB PHE A 25 -17.592 -1.593 -11.023 1.00 9.59 C ATOM 386 CG PHE A 25 -16.350 -0.882 -10.476 1.00 9.18 C ATOM 387 CD1 PHE A 25 -16.143 0.500 -10.668 1.00 5.54 C ATOM 388 CD2 PHE A 25 -15.367 -1.627 -9.810 1.00 11.29 C ATOM 389 CE1 PHE A 25 -14.980 1.110 -10.190 1.00 5.32 C ATOM 390 CE2 PHE A 25 -14.204 -1.012 -9.342 1.00 11.14 C ATOM 391 CZ PHE A 25 -14.010 0.355 -9.529 1.00 12.44 C ATOM 0 H PHE A 25 -18.640 1.052 -9.968 1.00 6.72 H new ATOM 0 HA PHE A 25 -19.743 -1.499 -10.941 1.00 6.82 H new ATOM 0 HB2 PHE A 25 -17.533 -2.655 -10.786 1.00 9.59 H new ATOM 0 HB3 PHE A 25 -17.606 -1.509 -12.110 1.00 9.59 H new ATOM 0 HD1 PHE A 25 -16.886 1.089 -11.186 1.00 5.54 H new ATOM 0 HD2 PHE A 25 -15.510 -2.686 -9.657 1.00 11.29 H new ATOM 0 HE1 PHE A 25 -14.831 2.170 -10.333 1.00 5.32 H new ATOM 0 HE2 PHE A 25 -13.453 -1.598 -8.833 1.00 11.14 H new ATOM 0 HZ PHE A 25 -13.111 0.829 -9.163 1.00 12.44 H new ATOM 401 N GLU A 26 -19.681 -2.354 -8.621 1.00 0.00 N ATOM 402 CA GLU A 26 -19.835 -2.718 -7.191 1.00 0.00 C ATOM 403 C GLU A 26 -18.608 -3.515 -6.769 1.00 0.00 C ATOM 404 O GLU A 26 -17.936 -4.114 -7.584 1.00 0.00 O ATOM 405 CB GLU A 26 -21.114 -3.552 -6.999 1.00 0.00 C ATOM 406 CG GLU A 26 -20.922 -4.978 -7.536 1.00 0.00 C ATOM 407 CD GLU A 26 -20.345 -4.926 -8.951 1.00 0.00 C ATOM 408 OE1 GLU A 26 -20.854 -4.157 -9.750 1.00 0.00 O ATOM 409 OE2 GLU A 26 -19.402 -5.654 -9.214 1.00 0.00 O ATOM 0 H GLU A 26 -20.142 -2.983 -9.278 1.00 0.00 H new ATOM 0 HA GLU A 26 -19.921 -1.822 -6.577 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -21.374 -3.589 -5.941 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -21.946 -3.073 -7.515 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -20.253 -5.536 -6.881 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -21.876 -5.506 -7.542 1.00 0.00 H new ATOM 416 N LYS A 27 -18.302 -3.520 -5.514 1.00 8.66 N ATOM 417 CA LYS A 27 -17.117 -4.268 -5.060 1.00 8.68 C ATOM 418 C LYS A 27 -17.225 -5.723 -5.513 1.00 6.65 C ATOM 419 O LYS A 27 -18.302 -6.276 -5.611 1.00 10.38 O ATOM 420 CB LYS A 27 -17.036 -4.161 -3.539 1.00 12.96 C ATOM 421 CG LYS A 27 -18.115 -5.040 -2.865 1.00 12.48 C ATOM 422 CD LYS A 27 -17.515 -6.387 -2.422 1.00 20.52 C ATOM 423 CE LYS A 27 -16.832 -6.233 -1.059 1.00 28.24 C ATOM 424 NZ LYS A 27 -17.869 -6.175 0.010 1.00 29.03 N ATOM 0 H LYS A 27 -18.823 -3.037 -4.782 1.00 8.66 H new ATOM 0 HA LYS A 27 -16.207 -3.853 -5.493 1.00 8.68 H new ATOM 0 HB2 LYS A 27 -16.047 -4.470 -3.201 1.00 12.96 H new ATOM 0 HB3 LYS A 27 -17.166 -3.122 -3.236 1.00 12.96 H new ATOM 0 HG2 LYS A 27 -18.530 -4.519 -2.002 1.00 12.48 H new ATOM 0 HG3 LYS A 27 -18.938 -5.212 -3.559 1.00 12.48 H new ATOM 0 HD2 LYS A 27 -18.299 -7.142 -2.362 1.00 20.52 H new ATOM 0 HD3 LYS A 27 -16.794 -6.735 -3.162 1.00 20.52 H new ATOM 0 HE2 LYS A 27 -16.157 -7.070 -0.881 1.00 28.24 H new ATOM 0 HE3 LYS A 27 -16.227 -5.327 -1.043 1.00 28.24 H new ATOM 0 HZ1 LYS A 27 -17.433 -6.393 0.929 1.00 29.03 H new ATOM 0 HZ2 LYS A 27 -18.283 -5.221 0.041 1.00 29.03 H new ATOM 0 HZ3 LYS A 27 -18.616 -6.870 -0.193 1.00 29.03 H new ATOM 438 N GLY A 28 -16.115 -6.343 -5.809 1.00 5.06 N ATOM 439 CA GLY A 28 -16.150 -7.758 -6.280 1.00 4.39 C ATOM 440 C GLY A 28 -16.407 -7.784 -7.789 1.00 6.18 C ATOM 441 O GLY A 28 -17.204 -8.560 -8.273 1.00 5.61 O ATOM 0 H GLY A 28 -15.184 -5.931 -5.745 1.00 5.06 H new ATOM 0 HA2 GLY A 28 -15.206 -8.252 -6.052 1.00 4.39 H new ATOM 0 HA3 GLY A 28 -16.932 -8.308 -5.757 1.00 4.39 H new ATOM 445 N GLU A 29 -15.738 -6.932 -8.532 1.00 7.06 N ATOM 446 CA GLU A 29 -15.936 -6.888 -10.020 1.00 6.19 C ATOM 447 C GLU A 29 -14.611 -7.201 -10.719 1.00 6.67 C ATOM 448 O GLU A 29 -13.666 -6.442 -10.644 1.00 8.12 O ATOM 449 CB GLU A 29 -16.383 -5.468 -10.421 1.00 6.64 C ATOM 450 CG GLU A 29 -17.005 -5.400 -11.851 1.00 9.52 C ATOM 451 CD GLU A 29 -16.715 -6.666 -12.674 1.00 8.21 C ATOM 452 OE1 GLU A 29 -17.455 -7.625 -12.529 1.00 6.83 O ATOM 453 OE2 GLU A 29 -15.767 -6.646 -13.436 1.00 8.99 O ATOM 0 H GLU A 29 -15.060 -6.261 -8.171 1.00 7.06 H new ATOM 0 HA GLU A 29 -16.689 -7.620 -10.312 1.00 6.19 H new ATOM 0 HB2 GLU A 29 -17.113 -5.106 -9.697 1.00 6.64 H new ATOM 0 HB3 GLU A 29 -15.525 -4.797 -10.372 1.00 6.64 H new ATOM 0 HG2 GLU A 29 -18.083 -5.261 -11.770 1.00 9.52 H new ATOM 0 HG3 GLU A 29 -16.610 -4.530 -12.376 1.00 9.52 H new ATOM 460 N THR A 30 -14.542 -8.291 -11.423 1.00 0.00 N ATOM 461 CA THR A 30 -13.290 -8.628 -12.155 1.00 0.00 C ATOM 462 C THR A 30 -13.192 -7.689 -13.342 1.00 0.00 C ATOM 463 O THR A 30 -13.943 -7.825 -14.285 1.00 0.00 O ATOM 464 CB THR A 30 -13.403 -10.055 -12.696 1.00 0.00 C ATOM 465 OG1 THR A 30 -13.960 -10.899 -11.700 1.00 0.00 O ATOM 466 CG2 THR A 30 -12.021 -10.561 -13.093 1.00 0.00 C ATOM 0 H THR A 30 -15.299 -8.967 -11.525 1.00 0.00 H new ATOM 0 HA THR A 30 -12.424 -8.539 -11.499 1.00 0.00 H new ATOM 0 HB THR A 30 -14.051 -10.062 -13.572 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.033 -11.812 -12.048 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.102 -11.577 -13.478 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.604 -9.913 -13.864 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.367 -10.555 -12.221 1.00 0.00 H new ATOM 474 N MET A 31 -12.292 -6.744 -13.329 1.00 0.00 N ATOM 475 CA MET A 31 -12.198 -5.824 -14.495 1.00 0.00 C ATOM 476 C MET A 31 -10.987 -6.156 -15.338 1.00 0.00 C ATOM 477 O MET A 31 -9.891 -6.383 -14.866 1.00 0.00 O ATOM 478 CB MET A 31 -12.199 -4.363 -14.027 1.00 0.00 C ATOM 479 CG MET A 31 -13.624 -3.982 -13.535 1.00 0.00 C ATOM 480 SD MET A 31 -13.550 -3.370 -11.830 1.00 0.00 S ATOM 481 CE MET A 31 -12.958 -1.706 -12.225 1.00 0.00 C ATOM 0 H MET A 31 -11.628 -6.571 -12.574 1.00 0.00 H new ATOM 0 HA MET A 31 -13.075 -5.960 -15.127 1.00 0.00 H new ATOM 0 HB2 MET A 31 -11.476 -4.226 -13.223 1.00 0.00 H new ATOM 0 HB3 MET A 31 -11.896 -3.707 -14.843 1.00 0.00 H new ATOM 0 HG2 MET A 31 -14.050 -3.218 -14.186 1.00 0.00 H new ATOM 0 HG3 MET A 31 -14.281 -4.850 -13.590 1.00 0.00 H new ATOM 0 HE1 MET A 31 -12.427 -1.296 -11.366 1.00 0.00 H new ATOM 0 HE2 MET A 31 -12.284 -1.753 -13.080 1.00 0.00 H new ATOM 0 HE3 MET A 31 -13.806 -1.066 -12.467 1.00 0.00 H new ATOM 491 N GLU A 32 -11.229 -6.205 -16.606 1.00 0.00 N ATOM 492 CA GLU A 32 -10.199 -6.540 -17.604 1.00 0.00 C ATOM 493 C GLU A 32 -9.550 -5.230 -18.048 1.00 0.00 C ATOM 494 O GLU A 32 -10.125 -4.456 -18.788 1.00 0.00 O ATOM 495 CB GLU A 32 -10.903 -7.268 -18.778 1.00 0.00 C ATOM 496 CG GLU A 32 -12.444 -7.153 -18.629 1.00 0.00 C ATOM 497 CD GLU A 32 -13.113 -7.635 -19.918 1.00 0.00 C ATOM 498 OE1 GLU A 32 -12.424 -7.725 -20.919 1.00 0.00 O ATOM 499 OE2 GLU A 32 -14.301 -7.908 -19.878 1.00 0.00 O ATOM 0 H GLU A 32 -12.147 -6.016 -17.009 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.423 -7.196 -17.210 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.588 -6.834 -19.727 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.609 -8.317 -18.794 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.785 -7.750 -17.783 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.725 -6.120 -18.424 1.00 0.00 H new ATOM 506 N VAL A 33 -8.376 -4.957 -17.558 1.00 0.00 N ATOM 507 CA VAL A 33 -7.706 -3.673 -17.898 1.00 0.00 C ATOM 508 C VAL A 33 -7.409 -3.575 -19.401 1.00 0.00 C ATOM 509 O VAL A 33 -6.365 -3.999 -19.860 1.00 0.00 O ATOM 510 CB VAL A 33 -6.396 -3.561 -17.111 1.00 0.00 C ATOM 511 CG1 VAL A 33 -5.964 -2.093 -17.038 1.00 0.00 C ATOM 512 CG2 VAL A 33 -6.608 -4.095 -15.692 1.00 0.00 C ATOM 0 H VAL A 33 -7.849 -5.569 -16.935 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.378 -2.857 -17.632 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.623 -4.144 -17.612 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.032 -2.015 -16.478 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.814 -1.707 -18.046 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.738 -1.511 -16.538 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.677 -4.016 -15.131 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.382 -3.510 -15.195 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.916 -5.139 -15.739 1.00 0.00 H new ATOM 522 N ILE A 34 -8.301 -3.002 -20.173 1.00 0.00 N ATOM 523 CA ILE A 34 -8.027 -2.870 -21.642 1.00 0.00 C ATOM 524 C ILE A 34 -6.749 -2.045 -21.872 1.00 0.00 C ATOM 525 O ILE A 34 -5.883 -2.433 -22.631 1.00 0.00 O ATOM 526 CB ILE A 34 -9.185 -2.150 -22.360 1.00 0.00 C ATOM 527 CG1 ILE A 34 -10.442 -3.036 -22.357 1.00 0.00 C ATOM 528 CG2 ILE A 34 -8.769 -1.852 -23.815 1.00 0.00 C ATOM 529 CD1 ILE A 34 -11.639 -2.269 -22.949 1.00 0.00 C ATOM 0 H ILE A 34 -9.195 -2.625 -19.857 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.913 -3.877 -22.042 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.408 -1.219 -21.839 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -10.259 -3.941 -22.937 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.671 -3.351 -21.339 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.584 -1.342 -24.329 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.884 -1.216 -23.817 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.545 -2.787 -24.328 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -12.521 -2.909 -22.940 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.831 -1.378 -22.352 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -11.413 -1.977 -23.974 1.00 0.00 H new ATOM 541 N GLU A 35 -6.641 -0.890 -21.259 1.00 0.00 N ATOM 542 CA GLU A 35 -5.440 -0.026 -21.490 1.00 0.00 C ATOM 543 C GLU A 35 -5.092 0.753 -20.239 1.00 0.00 C ATOM 544 O GLU A 35 -5.904 0.949 -19.358 1.00 0.00 O ATOM 545 CB GLU A 35 -5.736 0.956 -22.636 1.00 0.00 C ATOM 546 CG GLU A 35 -4.425 1.438 -23.269 1.00 0.00 C ATOM 547 CD GLU A 35 -3.852 0.336 -24.165 1.00 0.00 C ATOM 548 OE1 GLU A 35 -4.592 -0.171 -24.993 1.00 0.00 O ATOM 549 OE2 GLU A 35 -2.685 0.017 -24.008 1.00 0.00 O ATOM 0 H GLU A 35 -7.330 -0.509 -20.611 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.594 -0.663 -21.750 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.356 0.471 -23.390 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.301 1.808 -22.258 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.602 2.341 -23.854 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.707 1.698 -22.491 1.00 0.00 H new ATOM 556 N LYS A 36 -3.854 1.174 -20.149 1.00 0.00 N ATOM 557 CA LYS A 36 -3.388 1.918 -18.950 1.00 0.00 C ATOM 558 C LYS A 36 -2.551 3.147 -19.360 1.00 0.00 C ATOM 559 O LYS A 36 -1.380 3.214 -19.048 1.00 0.00 O ATOM 560 CB LYS A 36 -2.510 0.956 -18.122 1.00 0.00 C ATOM 561 CG LYS A 36 -3.096 -0.478 -18.153 1.00 0.00 C ATOM 562 CD LYS A 36 -2.480 -1.302 -19.300 1.00 0.00 C ATOM 563 CE LYS A 36 -3.338 -2.548 -19.568 1.00 0.00 C ATOM 564 NZ LYS A 36 -4.744 -2.162 -19.869 1.00 0.00 N ATOM 0 H LYS A 36 -3.143 1.029 -20.866 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.244 2.269 -18.375 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.495 0.949 -18.519 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.447 1.307 -17.092 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.905 -0.973 -17.201 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.178 -0.430 -18.275 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.415 -0.694 -20.202 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.463 -1.598 -19.041 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.922 -3.109 -20.405 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.314 -3.206 -18.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.390 -2.886 -19.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.955 -1.246 -19.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.870 -2.084 -20.898 1.00 0.00 H new ATOM 578 N PRO A 37 -3.176 4.107 -20.012 1.00 0.00 N ATOM 579 CA PRO A 37 -2.488 5.342 -20.409 1.00 0.00 C ATOM 580 C PRO A 37 -2.293 6.218 -19.180 1.00 0.00 C ATOM 581 O PRO A 37 -2.904 6.019 -18.149 1.00 0.00 O ATOM 582 CB PRO A 37 -3.433 6.031 -21.405 1.00 0.00 C ATOM 583 CG PRO A 37 -4.803 5.330 -21.269 1.00 0.00 C ATOM 584 CD PRO A 37 -4.592 4.046 -20.426 1.00 0.00 C ATOM 0 HA PRO A 37 -1.509 5.154 -20.849 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.519 7.095 -21.185 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.053 5.945 -22.423 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.524 5.990 -20.787 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.205 5.081 -22.251 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.258 4.023 -19.563 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.797 3.149 -21.010 1.00 0.00 H new ATOM 592 N GLU A 38 -1.456 7.196 -19.292 1.00 0.00 N ATOM 593 CA GLU A 38 -1.223 8.116 -18.142 1.00 0.00 C ATOM 594 C GLU A 38 -2.184 9.298 -18.271 1.00 0.00 C ATOM 595 O GLU A 38 -2.841 9.672 -17.325 1.00 0.00 O ATOM 596 CB GLU A 38 0.228 8.618 -18.177 1.00 0.00 C ATOM 597 CG GLU A 38 0.569 9.353 -16.870 1.00 0.00 C ATOM 598 CD GLU A 38 0.001 10.775 -16.895 1.00 0.00 C ATOM 599 OE1 GLU A 38 -0.425 11.212 -17.951 1.00 0.00 O ATOM 600 OE2 GLU A 38 0.004 11.403 -15.850 1.00 0.00 O ATOM 0 H GLU A 38 -0.916 7.406 -20.132 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.395 7.597 -17.199 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.908 7.778 -18.318 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.368 9.287 -19.026 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.161 8.806 -16.020 1.00 0.00 H new ATOM 0 HG3 GLU A 38 1.650 9.388 -16.736 1.00 0.00 H new ATOM 607 N ASN A 39 -2.271 9.856 -19.458 1.00 0.00 N ATOM 608 CA ASN A 39 -3.184 11.008 -19.734 1.00 0.00 C ATOM 609 C ASN A 39 -2.853 12.172 -18.801 1.00 0.00 C ATOM 610 O ASN A 39 -2.488 13.246 -19.236 1.00 0.00 O ATOM 611 CB ASN A 39 -4.644 10.572 -19.535 1.00 0.00 C ATOM 612 CG ASN A 39 -5.127 9.799 -20.766 1.00 0.00 C ATOM 613 OD1 ASN A 39 -4.391 9.627 -21.716 1.00 0.00 O ATOM 614 ND2 ASN A 39 -6.342 9.322 -20.786 1.00 0.00 N ATOM 0 H ASN A 39 -1.731 9.550 -20.267 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.047 11.334 -20.765 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.729 9.947 -18.646 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.275 11.446 -19.372 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -6.673 8.804 -21.600 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.960 9.467 -19.988 1.00 0.00 H new ATOM 621 N ASP A 40 -2.946 11.941 -17.527 1.00 0.00 N ATOM 622 CA ASP A 40 -2.624 12.990 -16.515 1.00 0.00 C ATOM 623 C ASP A 40 -3.132 12.625 -15.095 1.00 0.00 C ATOM 624 O ASP A 40 -2.394 12.753 -14.136 1.00 0.00 O ATOM 625 CB ASP A 40 -3.126 14.406 -16.948 1.00 0.00 C ATOM 626 CG ASP A 40 -1.948 15.272 -17.416 1.00 0.00 C ATOM 627 OD1 ASP A 40 -1.029 14.723 -17.998 1.00 0.00 O ATOM 628 OD2 ASP A 40 -1.990 16.470 -17.185 1.00 0.00 O ATOM 0 H ASP A 40 -3.239 11.048 -17.130 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.536 13.031 -16.465 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.856 14.310 -17.751 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.632 14.890 -16.113 1.00 0.00 H new ATOM 633 N PRO A 41 -4.354 12.202 -14.995 1.00 0.00 N ATOM 634 CA PRO A 41 -4.966 11.834 -13.707 1.00 0.00 C ATOM 635 C PRO A 41 -4.309 10.558 -13.162 1.00 0.00 C ATOM 636 O PRO A 41 -3.751 10.574 -12.087 1.00 0.00 O ATOM 637 CB PRO A 41 -6.458 11.595 -14.041 1.00 0.00 C ATOM 638 CG PRO A 41 -6.613 11.737 -15.584 1.00 0.00 C ATOM 639 CD PRO A 41 -5.215 12.058 -16.151 1.00 0.00 C ATOM 0 HA PRO A 41 -4.840 12.600 -12.942 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -6.772 10.604 -13.712 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -7.089 12.317 -13.523 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -7.003 10.817 -16.019 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.320 12.530 -15.829 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.864 11.260 -16.805 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.232 12.972 -16.744 1.00 0.00 H new ATOM 647 N GLU A 42 -4.399 9.478 -13.925 1.00 0.00 N ATOM 648 CA GLU A 42 -3.816 8.129 -13.550 1.00 0.00 C ATOM 649 C GLU A 42 -4.890 7.044 -13.775 1.00 0.00 C ATOM 650 O GLU A 42 -4.725 5.903 -13.399 1.00 0.00 O ATOM 651 CB GLU A 42 -3.337 8.085 -12.083 1.00 0.00 C ATOM 652 CG GLU A 42 -2.435 6.856 -11.842 1.00 0.00 C ATOM 653 CD GLU A 42 -1.123 7.006 -12.621 1.00 0.00 C ATOM 654 OE1 GLU A 42 -0.904 8.071 -13.176 1.00 0.00 O ATOM 655 OE2 GLU A 42 -0.363 6.052 -12.649 1.00 0.00 O ATOM 0 H GLU A 42 -4.872 9.477 -14.829 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.945 7.950 -14.180 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.789 8.997 -11.846 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.197 8.048 -11.415 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.225 6.752 -10.777 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.952 5.949 -12.155 1.00 0.00 H new ATOM 662 N TRP A 43 -5.991 7.391 -14.394 1.00 14.29 N ATOM 663 CA TRP A 43 -7.069 6.385 -14.637 1.00 10.30 C ATOM 664 C TRP A 43 -6.638 5.388 -15.721 1.00 6.82 C ATOM 665 O TRP A 43 -5.675 5.602 -16.426 1.00 6.91 O ATOM 666 CB TRP A 43 -8.342 7.101 -15.080 1.00 13.39 C ATOM 667 CG TRP A 43 -8.630 8.256 -14.174 1.00 11.71 C ATOM 668 CD1 TRP A 43 -8.077 8.453 -12.956 1.00 13.93 C ATOM 669 CD2 TRP A 43 -9.541 9.369 -14.391 1.00 7.44 C ATOM 670 NE1 TRP A 43 -8.590 9.610 -12.415 1.00 6.63 N ATOM 671 CE2 TRP A 43 -9.494 10.214 -13.258 1.00 8.43 C ATOM 672 CE3 TRP A 43 -10.397 9.729 -15.449 1.00 6.37 C ATOM 673 CZ2 TRP A 43 -10.262 11.368 -13.174 1.00 11.15 C ATOM 674 CZ3 TRP A 43 -11.177 10.894 -15.367 1.00 2.36 C ATOM 675 CH2 TRP A 43 -11.109 11.714 -14.231 1.00 8.17 C ATOM 0 H TRP A 43 -6.189 8.329 -14.742 1.00 14.29 H new ATOM 0 HA TRP A 43 -7.255 5.839 -13.712 1.00 10.30 H new ATOM 0 HB2 TRP A 43 -8.231 7.453 -16.106 1.00 13.39 H new ATOM 0 HB3 TRP A 43 -9.181 6.405 -15.071 1.00 13.39 H new ATOM 0 HD1 TRP A 43 -7.351 7.808 -12.484 1.00 13.93 H new ATOM 0 HE1 TRP A 43 -8.331 9.976 -11.499 1.00 6.63 H new ATOM 0 HE3 TRP A 43 -10.454 9.106 -16.329 1.00 6.37 H new ATOM 0 HZ2 TRP A 43 -10.205 11.995 -12.296 1.00 11.15 H new ATOM 0 HZ3 TRP A 43 -11.833 11.160 -16.183 1.00 2.36 H new ATOM 0 HH2 TRP A 43 -11.709 12.610 -14.173 1.00 8.17 H new ATOM 686 N TRP A 44 -7.353 4.290 -15.840 1.00 6.17 N ATOM 687 CA TRP A 44 -7.010 3.236 -16.853 1.00 5.58 C ATOM 688 C TRP A 44 -8.265 2.881 -17.661 1.00 6.91 C ATOM 689 O TRP A 44 -9.350 2.806 -17.118 1.00 8.86 O ATOM 690 CB TRP A 44 -6.587 1.943 -16.114 1.00 2.99 C ATOM 691 CG TRP A 44 -5.143 1.923 -15.674 1.00 7.04 C ATOM 692 CD1 TRP A 44 -4.192 2.865 -15.904 1.00 5.83 C ATOM 693 CD2 TRP A 44 -4.478 0.861 -14.920 1.00 5.23 C ATOM 694 NE1 TRP A 44 -3.003 2.445 -15.333 1.00 4.61 N ATOM 695 CE2 TRP A 44 -3.128 1.221 -14.721 1.00 9.27 C ATOM 696 CE3 TRP A 44 -4.921 -0.367 -14.394 1.00 6.86 C ATOM 697 CZ2 TRP A 44 -2.244 0.393 -14.026 1.00 11.14 C ATOM 698 CZ3 TRP A 44 -4.034 -1.203 -13.694 1.00 11.80 C ATOM 699 CH2 TRP A 44 -2.698 -0.823 -13.513 1.00 11.72 C ATOM 0 H TRP A 44 -8.171 4.077 -15.269 1.00 6.17 H new ATOM 0 HA TRP A 44 -6.214 3.611 -17.497 1.00 5.58 H new ATOM 0 HB2 TRP A 44 -7.223 1.814 -15.238 1.00 2.99 H new ATOM 0 HB3 TRP A 44 -6.767 1.089 -16.767 1.00 2.99 H new ATOM 0 HD1 TRP A 44 -4.339 3.789 -16.443 1.00 5.83 H new ATOM 0 HE1 TRP A 44 -2.136 2.981 -15.363 1.00 4.61 H new ATOM 0 HE3 TRP A 44 -5.949 -0.669 -14.529 1.00 6.86 H new ATOM 0 HZ2 TRP A 44 -1.216 0.692 -13.886 1.00 11.14 H new ATOM 0 HZ3 TRP A 44 -4.384 -2.143 -13.294 1.00 11.80 H new ATOM 0 HH2 TRP A 44 -2.020 -1.470 -12.977 1.00 11.72 H new ATOM 710 N LYS A 45 -8.127 2.581 -18.928 1.00 0.00 N ATOM 711 CA LYS A 45 -9.326 2.146 -19.689 1.00 0.00 C ATOM 712 C LYS A 45 -9.536 0.695 -19.315 1.00 0.00 C ATOM 713 O LYS A 45 -8.890 -0.177 -19.855 1.00 0.00 O ATOM 714 CB LYS A 45 -9.110 2.224 -21.207 1.00 0.00 C ATOM 715 CG LYS A 45 -10.452 1.911 -21.932 1.00 0.00 C ATOM 716 CD LYS A 45 -10.273 2.039 -23.462 1.00 0.00 C ATOM 717 CE LYS A 45 -11.599 1.748 -24.177 1.00 0.00 C ATOM 718 NZ LYS A 45 -11.412 1.886 -25.648 1.00 0.00 N ATOM 0 H LYS A 45 -7.254 2.618 -19.455 1.00 0.00 H new ATOM 0 HA LYS A 45 -10.172 2.790 -19.449 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.755 3.216 -21.485 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -8.343 1.513 -21.514 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.784 0.904 -21.680 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.227 2.597 -21.590 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -9.929 3.043 -23.712 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -9.506 1.344 -23.805 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -11.941 0.741 -23.936 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.369 2.437 -23.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.311 1.689 -26.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.105 2.855 -25.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -10.689 1.211 -25.971 1.00 0.00 H new ATOM 732 N CYS A 46 -10.393 0.424 -18.376 1.00 0.00 N ATOM 733 CA CYS A 46 -10.600 -0.986 -17.948 1.00 0.00 C ATOM 734 C CYS A 46 -12.009 -1.428 -18.257 1.00 0.00 C ATOM 735 O CYS A 46 -12.977 -0.795 -17.885 1.00 0.00 O ATOM 736 CB CYS A 46 -10.347 -1.103 -16.443 1.00 0.00 C ATOM 737 SG CYS A 46 -11.729 -0.361 -15.536 1.00 0.00 S ATOM 0 H CYS A 46 -10.960 1.116 -17.886 1.00 0.00 H new ATOM 0 HA CYS A 46 -9.904 -1.625 -18.491 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -10.235 -2.150 -16.163 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.415 -0.602 -16.180 1.00 0.00 H new ATOM 0 HG CYS A 46 -12.719 -0.150 -16.351 1.00 0.00 H new ATOM 743 N LYS A 47 -12.131 -2.539 -18.913 1.00 0.00 N ATOM 744 CA LYS A 47 -13.472 -3.061 -19.217 1.00 0.00 C ATOM 745 C LYS A 47 -13.942 -3.797 -17.980 1.00 0.00 C ATOM 746 O LYS A 47 -13.123 -4.332 -17.261 1.00 0.00 O ATOM 747 CB LYS A 47 -13.387 -4.039 -20.391 1.00 0.00 C ATOM 748 CG LYS A 47 -14.683 -4.851 -20.507 1.00 0.00 C ATOM 749 CD LYS A 47 -14.741 -5.535 -21.874 1.00 0.00 C ATOM 750 CE LYS A 47 -16.072 -6.274 -22.016 1.00 0.00 C ATOM 751 NZ LYS A 47 -16.252 -6.716 -23.428 1.00 0.00 N ATOM 0 H LYS A 47 -11.354 -3.107 -19.251 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.158 -2.257 -19.485 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.210 -3.491 -21.317 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.541 -4.711 -20.252 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -14.728 -5.597 -19.714 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -15.546 -4.197 -20.380 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.637 -4.795 -22.668 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.911 -6.234 -21.979 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -16.093 -7.136 -21.349 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -16.894 -5.622 -21.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.158 -7.218 -23.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -16.250 -5.886 -24.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.474 -7.353 -23.694 1.00 0.00 H new ATOM 765 N ASN A 48 -15.223 -3.868 -17.698 1.00 0.00 N ATOM 766 CA ASN A 48 -15.620 -4.657 -16.476 1.00 0.00 C ATOM 767 C ASN A 48 -16.007 -6.056 -16.945 1.00 0.00 C ATOM 768 O ASN A 48 -16.761 -6.192 -17.880 1.00 0.00 O ATOM 769 CB ASN A 48 -16.732 -3.952 -15.651 1.00 0.00 C ATOM 770 CG ASN A 48 -18.146 -4.026 -16.253 1.00 0.00 C ATOM 771 OD1 ASN A 48 -18.948 -3.158 -15.990 1.00 0.00 O ATOM 772 ND2 ASN A 48 -18.523 -5.030 -16.985 1.00 0.00 N ATOM 0 H ASN A 48 -15.981 -3.439 -18.228 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.784 -4.728 -15.781 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.756 -4.392 -14.654 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.461 -2.903 -15.530 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.482 -5.079 -17.329 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.860 -5.770 -17.216 1.00 0.00 H new ATOM 779 N ALA A 49 -15.469 -7.128 -16.375 1.00 0.00 N ATOM 780 CA ALA A 49 -15.857 -8.463 -16.901 1.00 0.00 C ATOM 781 C ALA A 49 -17.380 -8.529 -16.941 1.00 0.00 C ATOM 782 O ALA A 49 -17.964 -9.326 -17.647 1.00 0.00 O ATOM 783 CB ALA A 49 -15.312 -9.575 -16.004 1.00 0.00 C ATOM 0 H ALA A 49 -14.806 -7.124 -15.600 1.00 0.00 H new ATOM 0 HA ALA A 49 -15.441 -8.602 -17.899 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -15.607 -10.544 -16.406 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -14.224 -9.513 -15.968 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -15.716 -9.462 -14.998 1.00 0.00 H new ATOM 789 N ARG A 50 -18.029 -7.659 -16.208 1.00 0.00 N ATOM 790 CA ARG A 50 -19.511 -7.639 -16.240 1.00 0.00 C ATOM 791 C ARG A 50 -19.905 -7.244 -17.660 1.00 0.00 C ATOM 792 O ARG A 50 -21.059 -7.262 -18.043 1.00 0.00 O ATOM 793 CB ARG A 50 -20.054 -6.644 -15.183 1.00 0.00 C ATOM 794 CG ARG A 50 -20.489 -7.407 -13.908 1.00 0.00 C ATOM 795 CD ARG A 50 -20.579 -6.462 -12.676 1.00 0.00 C ATOM 796 NE ARG A 50 -21.931 -6.564 -12.020 1.00 0.00 N ATOM 797 CZ ARG A 50 -23.042 -6.418 -12.697 1.00 0.00 C ATOM 798 NH1 ARG A 50 -23.011 -6.095 -13.958 1.00 0.00 N ATOM 799 NH2 ARG A 50 -24.190 -6.570 -12.096 1.00 0.00 N ATOM 0 H ARG A 50 -17.595 -6.969 -15.595 1.00 0.00 H new ATOM 0 HA ARG A 50 -19.939 -8.610 -15.991 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -19.286 -5.911 -14.934 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -20.900 -6.092 -15.592 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -21.458 -7.877 -14.078 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -19.778 -8.207 -13.702 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -19.801 -6.719 -11.957 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -20.398 -5.433 -12.987 1.00 0.00 H new ATOM 0 HE ARG A 50 -21.982 -6.752 -11.019 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -22.116 -5.954 -14.426 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -23.882 -5.983 -14.477 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -24.219 -6.802 -11.103 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -25.058 -6.457 -12.619 1.00 0.00 H new ATOM 813 N GLY A 51 -18.911 -6.935 -18.450 1.00 8.07 N ATOM 814 CA GLY A 51 -19.124 -6.580 -19.872 1.00 7.79 C ATOM 815 C GLY A 51 -19.262 -5.063 -20.081 1.00 9.08 C ATOM 816 O GLY A 51 -19.991 -4.638 -20.956 1.00 14.41 O ATOM 0 H GLY A 51 -17.935 -6.915 -18.154 1.00 8.07 H new ATOM 0 HA2 GLY A 51 -18.289 -6.952 -20.466 1.00 7.79 H new ATOM 0 HA3 GLY A 51 -20.022 -7.078 -20.238 1.00 7.79 H new ATOM 820 N GLN A 52 -18.574 -4.232 -19.314 1.00 0.00 N ATOM 821 CA GLN A 52 -18.705 -2.738 -19.544 1.00 0.00 C ATOM 822 C GLN A 52 -17.356 -2.032 -19.460 1.00 0.00 C ATOM 823 O GLN A 52 -16.398 -2.581 -19.005 1.00 0.00 O ATOM 824 CB GLN A 52 -19.768 -2.137 -18.577 1.00 0.00 C ATOM 825 CG GLN A 52 -19.192 -1.005 -17.708 1.00 0.00 C ATOM 826 CD GLN A 52 -20.224 -0.577 -16.681 1.00 0.00 C ATOM 827 OE1 GLN A 52 -20.658 -1.358 -15.862 1.00 0.00 O ATOM 828 NE2 GLN A 52 -20.635 0.655 -16.700 1.00 0.00 N ATOM 0 H GLN A 52 -17.945 -4.509 -18.560 1.00 0.00 H new ATOM 0 HA GLN A 52 -19.060 -2.571 -20.561 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -20.609 -1.756 -19.156 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -20.157 -2.925 -17.932 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -18.284 -1.343 -17.208 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -18.914 -0.157 -18.334 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -20.264 1.306 -17.393 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -21.328 0.972 -16.022 1.00 0.00 H new ATOM 837 N VAL A 53 -17.273 -0.808 -19.949 1.00 0.00 N ATOM 838 CA VAL A 53 -15.960 -0.084 -19.939 1.00 0.00 C ATOM 839 C VAL A 53 -16.086 1.347 -19.417 1.00 0.00 C ATOM 840 O VAL A 53 -17.123 1.974 -19.486 1.00 0.00 O ATOM 841 CB VAL A 53 -15.396 -0.039 -21.368 1.00 0.00 C ATOM 842 CG1 VAL A 53 -13.898 0.274 -21.329 1.00 0.00 C ATOM 843 CG2 VAL A 53 -15.625 -1.381 -22.072 1.00 0.00 C ATOM 0 H VAL A 53 -18.053 -0.287 -20.350 1.00 0.00 H new ATOM 0 HA VAL A 53 -15.294 -0.628 -19.269 1.00 0.00 H new ATOM 0 HB VAL A 53 -15.913 0.744 -21.923 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -13.506 0.304 -22.346 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.741 1.241 -20.851 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -13.379 -0.500 -20.763 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.221 -1.335 -23.083 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -15.124 -2.174 -21.516 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -16.694 -1.590 -22.118 1.00 0.00 H new ATOM 853 N GLY A 54 -14.994 1.850 -18.896 1.00 3.62 N ATOM 854 CA GLY A 54 -14.959 3.237 -18.352 1.00 3.70 C ATOM 855 C GLY A 54 -13.618 3.468 -17.640 1.00 4.69 C ATOM 856 O GLY A 54 -12.969 2.539 -17.200 1.00 7.25 O ATOM 0 H GLY A 54 -14.110 1.345 -18.825 1.00 3.62 H new ATOM 0 HA2 GLY A 54 -15.085 3.960 -19.158 1.00 3.70 H new ATOM 0 HA3 GLY A 54 -15.784 3.388 -17.656 1.00 3.70 H new ATOM 860 N LEU A 55 -13.207 4.699 -17.512 1.00 0.00 N ATOM 861 CA LEU A 55 -11.918 4.999 -16.816 1.00 0.00 C ATOM 862 C LEU A 55 -12.109 4.768 -15.310 1.00 0.00 C ATOM 863 O LEU A 55 -13.197 4.907 -14.790 1.00 0.00 O ATOM 864 CB LEU A 55 -11.547 6.470 -17.090 1.00 0.00 C ATOM 865 CG LEU A 55 -10.708 6.582 -18.378 1.00 0.00 C ATOM 866 CD1 LEU A 55 -9.335 5.878 -18.213 1.00 0.00 C ATOM 867 CD2 LEU A 55 -11.492 5.958 -19.539 1.00 0.00 C ATOM 0 H LEU A 55 -13.709 5.516 -17.860 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.119 4.352 -17.178 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.453 7.068 -17.186 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.986 6.873 -16.247 1.00 0.00 H new ATOM 0 HG LEU A 55 -10.515 7.634 -18.587 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.764 5.973 -19.137 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -8.783 6.343 -17.396 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.492 4.823 -17.990 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -10.906 6.032 -20.455 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -11.692 4.909 -19.321 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -12.436 6.488 -19.668 1.00 0.00 H new ATOM 879 N VAL A 56 -11.064 4.403 -14.603 1.00 0.00 N ATOM 880 CA VAL A 56 -11.211 4.151 -13.136 1.00 0.00 C ATOM 881 C VAL A 56 -9.838 4.336 -12.445 1.00 0.00 C ATOM 882 O VAL A 56 -8.850 3.853 -12.964 1.00 0.00 O ATOM 883 CB VAL A 56 -11.706 2.701 -12.945 1.00 0.00 C ATOM 884 CG1 VAL A 56 -10.553 1.705 -13.134 1.00 0.00 C ATOM 885 CG2 VAL A 56 -12.291 2.523 -11.546 1.00 0.00 C ATOM 0 H VAL A 56 -10.124 4.270 -14.976 1.00 0.00 H new ATOM 0 HA VAL A 56 -11.923 4.849 -12.696 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.475 2.507 -13.693 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.923 0.689 -12.995 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -10.144 1.808 -14.139 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.772 1.910 -12.402 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -12.636 1.496 -11.424 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.525 2.739 -10.801 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -13.130 3.206 -11.413 1.00 0.00 H new ATOM 895 N PRO A 57 -9.780 4.998 -11.295 1.00 3.33 N ATOM 896 CA PRO A 57 -8.492 5.169 -10.600 1.00 2.75 C ATOM 897 C PRO A 57 -7.815 3.800 -10.461 1.00 4.32 C ATOM 898 O PRO A 57 -8.299 2.917 -9.780 1.00 4.76 O ATOM 899 CB PRO A 57 -8.853 5.784 -9.229 1.00 2.92 C ATOM 900 CG PRO A 57 -10.370 6.133 -9.263 1.00 3.30 C ATOM 901 CD PRO A 57 -10.937 5.614 -10.605 1.00 2.53 C ATOM 0 HA PRO A 57 -7.791 5.812 -11.133 1.00 2.75 H new ATOM 0 HB2 PRO A 57 -8.638 5.081 -8.424 1.00 2.92 H new ATOM 0 HB3 PRO A 57 -8.257 6.677 -9.040 1.00 2.92 H new ATOM 0 HG2 PRO A 57 -10.889 5.670 -8.423 1.00 3.30 H new ATOM 0 HG3 PRO A 57 -10.518 7.209 -9.175 1.00 3.30 H new ATOM 0 HD2 PRO A 57 -11.733 4.887 -10.443 1.00 2.53 H new ATOM 0 HD3 PRO A 57 -11.362 6.426 -11.195 1.00 2.53 H new ATOM 909 N LYS A 58 -6.709 3.617 -11.127 1.00 0.00 N ATOM 910 CA LYS A 58 -6.000 2.307 -11.072 1.00 0.00 C ATOM 911 C LYS A 58 -5.583 1.978 -9.634 1.00 0.00 C ATOM 912 O LYS A 58 -4.947 0.973 -9.383 1.00 0.00 O ATOM 913 CB LYS A 58 -4.764 2.386 -11.977 1.00 0.00 C ATOM 914 CG LYS A 58 -3.552 2.991 -11.209 1.00 0.00 C ATOM 915 CD LYS A 58 -2.330 3.128 -12.139 1.00 0.00 C ATOM 916 CE LYS A 58 -1.149 3.729 -11.370 1.00 0.00 C ATOM 917 NZ LYS A 58 -0.764 2.818 -10.257 1.00 0.00 N ATOM 0 H LYS A 58 -6.262 4.324 -11.711 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.666 1.516 -11.416 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.510 1.390 -12.340 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.987 2.997 -12.852 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.821 3.968 -10.807 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -3.300 2.356 -10.360 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.055 2.152 -12.538 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.580 3.761 -12.990 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.303 3.878 -12.041 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.419 4.708 -10.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.002 3.262 -9.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.280 1.920 -10.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.259 2.636 -10.296 1.00 0.00 H new ATOM 931 N ASN A 59 -5.943 2.806 -8.687 1.00 10.56 N ATOM 932 CA ASN A 59 -5.575 2.540 -7.257 1.00 9.74 C ATOM 933 C ASN A 59 -6.796 1.982 -6.514 1.00 9.95 C ATOM 934 O ASN A 59 -6.706 1.568 -5.376 1.00 8.95 O ATOM 935 CB ASN A 59 -5.120 3.856 -6.602 1.00 10.40 C ATOM 936 CG ASN A 59 -3.771 4.283 -7.187 1.00 12.58 C ATOM 937 OD1 ASN A 59 -3.042 3.469 -7.720 1.00 14.84 O ATOM 938 ND2 ASN A 59 -3.410 5.534 -7.117 1.00 14.09 N ATOM 0 H ASN A 59 -6.479 3.660 -8.840 1.00 10.56 H new ATOM 0 HA ASN A 59 -4.764 1.813 -7.210 1.00 9.74 H new ATOM 0 HB2 ASN A 59 -5.864 4.634 -6.772 1.00 10.40 H new ATOM 0 HB3 ASN A 59 -5.035 3.726 -5.523 1.00 10.40 H new ATOM 0 HD21 ASN A 59 -2.516 5.830 -7.509 1.00 14.09 H new ATOM 0 HD22 ASN A 59 -4.022 6.217 -6.670 1.00 14.09 H new ATOM 945 N TYR A 60 -7.937 1.973 -7.150 1.00 10.23 N ATOM 946 CA TYR A 60 -9.172 1.451 -6.486 1.00 5.50 C ATOM 947 C TYR A 60 -9.291 -0.059 -6.743 1.00 5.21 C ATOM 948 O TYR A 60 -10.296 -0.668 -6.435 1.00 7.16 O ATOM 949 CB TYR A 60 -10.398 2.167 -7.082 1.00 3.37 C ATOM 950 CG TYR A 60 -10.648 3.485 -6.374 1.00 2.00 C ATOM 951 CD1 TYR A 60 -9.584 4.346 -6.083 1.00 4.04 C ATOM 952 CD2 TYR A 60 -11.954 3.842 -6.018 1.00 2.00 C ATOM 953 CE1 TYR A 60 -9.826 5.563 -5.437 1.00 4.04 C ATOM 954 CE2 TYR A 60 -12.196 5.059 -5.372 1.00 2.69 C ATOM 955 CZ TYR A 60 -11.133 5.921 -5.082 1.00 4.45 C ATOM 956 OH TYR A 60 -11.371 7.123 -4.445 1.00 9.52 O ATOM 0 H TYR A 60 -8.070 2.306 -8.105 1.00 10.23 H new ATOM 0 HA TYR A 60 -9.120 1.633 -5.413 1.00 5.50 H new ATOM 0 HB2 TYR A 60 -10.240 2.345 -8.146 1.00 3.37 H new ATOM 0 HB3 TYR A 60 -11.277 1.528 -6.993 1.00 3.37 H new ATOM 0 HD1 TYR A 60 -8.576 4.071 -6.357 1.00 4.04 H new ATOM 0 HD2 TYR A 60 -12.775 3.177 -6.242 1.00 2.00 H new ATOM 0 HE1 TYR A 60 -9.005 6.227 -5.212 1.00 4.04 H new ATOM 0 HE2 TYR A 60 -13.204 5.333 -5.097 1.00 2.69 H new ATOM 0 HH TYR A 60 -12.331 7.216 -4.271 1.00 9.52 H new ATOM 966 N VAL A 61 -8.282 -0.662 -7.314 1.00 5.00 N ATOM 967 CA VAL A 61 -8.346 -2.128 -7.601 1.00 4.84 C ATOM 968 C VAL A 61 -6.944 -2.735 -7.480 1.00 5.03 C ATOM 969 O VAL A 61 -5.951 -2.050 -7.626 1.00 5.61 O ATOM 970 CB VAL A 61 -8.870 -2.341 -9.031 1.00 6.97 C ATOM 971 CG1 VAL A 61 -10.281 -1.762 -9.159 1.00 2.00 C ATOM 972 CG2 VAL A 61 -7.950 -1.636 -10.037 1.00 2.97 C ATOM 0 H VAL A 61 -7.415 -0.204 -7.595 1.00 5.00 H new ATOM 0 HA VAL A 61 -9.014 -2.611 -6.888 1.00 4.84 H new ATOM 0 HB VAL A 61 -8.890 -3.411 -9.240 1.00 6.97 H new ATOM 0 HG11 VAL A 61 -10.647 -1.916 -10.174 1.00 2.00 H new ATOM 0 HG12 VAL A 61 -10.945 -2.263 -8.454 1.00 2.00 H new ATOM 0 HG13 VAL A 61 -10.258 -0.695 -8.940 1.00 2.00 H new ATOM 0 HG21 VAL A 61 -8.328 -1.792 -11.047 1.00 2.97 H new ATOM 0 HG22 VAL A 61 -7.924 -0.568 -9.820 1.00 2.97 H new ATOM 0 HG23 VAL A 61 -6.943 -2.047 -9.959 1.00 2.97 H new ATOM 982 N VAL A 62 -6.859 -4.018 -7.232 1.00 0.00 N ATOM 983 CA VAL A 62 -5.515 -4.685 -7.120 1.00 0.00 C ATOM 984 C VAL A 62 -5.293 -5.528 -8.371 1.00 0.00 C ATOM 985 O VAL A 62 -6.222 -5.856 -9.063 1.00 0.00 O ATOM 986 CB VAL A 62 -5.482 -5.596 -5.892 1.00 0.00 C ATOM 987 CG1 VAL A 62 -6.523 -6.707 -6.044 1.00 0.00 C ATOM 988 CG2 VAL A 62 -4.094 -6.222 -5.755 1.00 0.00 C ATOM 0 H VAL A 62 -7.659 -4.637 -7.101 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.736 -3.929 -7.021 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.707 -5.006 -5.004 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.496 -7.354 -5.167 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.515 -6.266 -6.139 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.301 -7.295 -6.935 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.072 -6.871 -4.879 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.869 -6.808 -6.646 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.349 -5.434 -5.641 1.00 0.00 H new ATOM 998 N VAL A 63 -4.070 -5.877 -8.664 1.00 0.00 N ATOM 999 CA VAL A 63 -3.778 -6.704 -9.882 1.00 0.00 C ATOM 1000 C VAL A 63 -3.400 -8.127 -9.465 1.00 0.00 C ATOM 1001 O VAL A 63 -2.619 -8.333 -8.557 1.00 0.00 O ATOM 1002 CB VAL A 63 -2.617 -6.076 -10.656 1.00 0.00 C ATOM 1003 CG1 VAL A 63 -2.139 -7.038 -11.745 1.00 0.00 C ATOM 1004 CG2 VAL A 63 -3.085 -4.770 -11.300 1.00 0.00 C ATOM 0 H VAL A 63 -3.251 -5.625 -8.111 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.665 -6.738 -10.514 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.794 -5.873 -9.970 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.312 -6.586 -12.293 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.805 -7.969 -11.287 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.959 -7.246 -12.432 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.260 -4.320 -11.852 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.909 -4.976 -11.983 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.420 -4.082 -10.524 1.00 0.00 H new ATOM 1014 N LEU A 64 -3.961 -9.110 -10.125 1.00 0.00 N ATOM 1015 CA LEU A 64 -3.658 -10.536 -9.786 1.00 0.00 C ATOM 1016 C LEU A 64 -2.730 -11.124 -10.857 1.00 0.00 C ATOM 1017 O LEU A 64 -1.610 -11.504 -10.576 1.00 0.00 O ATOM 1018 CB LEU A 64 -4.975 -11.332 -9.741 1.00 0.00 C ATOM 1019 CG LEU A 64 -5.867 -10.841 -8.582 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -7.267 -11.483 -8.655 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -5.208 -11.188 -7.240 1.00 0.00 C ATOM 0 H LEU A 64 -4.622 -8.984 -10.891 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.167 -10.593 -8.815 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.505 -11.222 -10.687 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -4.761 -12.394 -9.617 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.979 -9.760 -8.667 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.877 -11.121 -7.827 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.741 -11.215 -9.599 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.174 -12.567 -8.590 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.840 -10.840 -6.423 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.081 -12.268 -7.166 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.234 -10.703 -7.177 1.00 0.00 H new ATOM 1033 N SER A 65 -3.181 -11.207 -12.082 1.00 0.00 N ATOM 1034 CA SER A 65 -2.313 -11.775 -13.156 1.00 0.00 C ATOM 1035 C SER A 65 -1.171 -10.801 -13.455 1.00 0.00 C ATOM 1036 O SER A 65 -1.301 -9.605 -13.283 1.00 0.00 O ATOM 1037 CB SER A 65 -3.140 -12.014 -14.425 1.00 0.00 C ATOM 1038 OG SER A 65 -4.007 -13.120 -14.212 1.00 0.00 O ATOM 0 H SER A 65 -4.108 -10.908 -12.384 1.00 0.00 H new ATOM 0 HA SER A 65 -1.899 -12.726 -12.821 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.719 -11.124 -14.670 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.482 -12.209 -15.272 1.00 0.00 H new ATOM 0 HG SER A 65 -4.858 -12.802 -13.844 1.00 0.00 H new ATOM 1044 N ASP A 66 -0.049 -11.302 -13.900 1.00 0.00 N ATOM 1045 CA ASP A 66 1.108 -10.410 -14.206 1.00 0.00 C ATOM 1046 C ASP A 66 1.894 -10.987 -15.386 1.00 0.00 C ATOM 1047 O ASP A 66 1.898 -12.179 -15.618 1.00 0.00 O ATOM 1048 CB ASP A 66 2.018 -10.322 -12.981 1.00 0.00 C ATOM 1049 CG ASP A 66 2.564 -11.711 -12.646 1.00 0.00 C ATOM 1050 OD1 ASP A 66 2.150 -12.659 -13.291 1.00 0.00 O ATOM 1051 OD2 ASP A 66 3.384 -11.803 -11.746 1.00 0.00 O ATOM 0 H ASP A 66 0.117 -12.295 -14.065 1.00 0.00 H new ATOM 0 HA ASP A 66 0.746 -9.414 -14.462 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.841 -9.634 -13.175 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.463 -9.924 -12.131 1.00 0.00 H new ATOM 1056 N GLY A 67 2.561 -10.150 -16.136 1.00 0.00 N ATOM 1057 CA GLY A 67 3.347 -10.650 -17.301 1.00 0.00 C ATOM 1058 C GLY A 67 4.720 -11.146 -16.824 1.00 0.00 C ATOM 1059 O GLY A 67 4.993 -12.330 -16.876 1.00 0.00 O ATOM 0 H GLY A 67 2.595 -9.141 -15.992 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.809 -11.459 -17.795 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.472 -9.855 -18.036 1.00 0.00 H new ATOM 1063 N PRO A 68 5.553 -10.234 -16.361 1.00 0.00 N ATOM 1064 CA PRO A 68 6.895 -10.600 -15.872 1.00 0.00 C ATOM 1065 C PRO A 68 6.768 -11.592 -14.706 1.00 0.00 C ATOM 1066 O PRO A 68 6.646 -11.202 -13.561 1.00 0.00 O ATOM 1067 CB PRO A 68 7.532 -9.263 -15.415 1.00 0.00 C ATOM 1068 CG PRO A 68 6.471 -8.142 -15.631 1.00 0.00 C ATOM 1069 CD PRO A 68 5.233 -8.792 -16.292 1.00 0.00 C ATOM 0 HA PRO A 68 7.506 -11.089 -16.631 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.826 -9.317 -14.367 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.435 -9.052 -15.988 1.00 0.00 H new ATOM 0 HG2 PRO A 68 6.201 -7.682 -14.680 1.00 0.00 H new ATOM 0 HG3 PRO A 68 6.873 -7.351 -16.265 1.00 0.00 H new ATOM 0 HD2 PRO A 68 4.332 -8.615 -15.704 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.052 -8.379 -17.285 1.00 0.00 H new ATOM 1077 N ALA A 69 6.814 -12.869 -14.995 1.00 0.00 N ATOM 1078 CA ALA A 69 6.719 -13.905 -13.927 1.00 0.00 C ATOM 1079 C ALA A 69 8.041 -14.654 -13.878 1.00 0.00 C ATOM 1080 O ALA A 69 8.194 -15.721 -14.442 1.00 0.00 O ATOM 1081 CB ALA A 69 5.591 -14.882 -14.265 1.00 0.00 C ATOM 0 H ALA A 69 6.915 -13.240 -15.940 1.00 0.00 H new ATOM 0 HA ALA A 69 6.510 -13.440 -12.963 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.520 -15.640 -13.485 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.648 -14.340 -14.331 1.00 0.00 H new ATOM 0 HB3 ALA A 69 5.800 -15.363 -15.220 1.00 0.00 H new ATOM 1087 N LEU A 70 8.992 -14.095 -13.203 1.00 0.00 N ATOM 1088 CA LEU A 70 10.330 -14.748 -13.088 1.00 0.00 C ATOM 1089 C LEU A 70 10.302 -15.756 -11.938 1.00 0.00 C ATOM 1090 O LEU A 70 9.973 -15.423 -10.817 1.00 0.00 O ATOM 1091 CB LEU A 70 11.394 -13.679 -12.808 1.00 0.00 C ATOM 1092 CG LEU A 70 11.623 -12.810 -14.061 1.00 0.00 C ATOM 1093 CD1 LEU A 70 12.175 -11.442 -13.650 1.00 0.00 C ATOM 1094 CD2 LEU A 70 12.629 -13.488 -15.003 1.00 0.00 C ATOM 0 H LEU A 70 8.907 -13.202 -12.717 1.00 0.00 H new ATOM 0 HA LEU A 70 10.569 -15.263 -14.018 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.078 -13.051 -11.975 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.329 -14.155 -12.512 1.00 0.00 H new ATOM 0 HG LEU A 70 10.670 -12.687 -14.575 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.335 -10.832 -14.539 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.462 -10.945 -12.992 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.121 -11.574 -13.126 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.781 -12.863 -15.883 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.579 -13.623 -14.485 1.00 0.00 H new ATOM 0 HD23 LEU A 70 12.242 -14.460 -15.310 1.00 0.00 H new ATOM 1106 N HIS A 71 10.646 -16.985 -12.205 1.00 0.00 N ATOM 1107 CA HIS A 71 10.639 -18.012 -11.124 1.00 0.00 C ATOM 1108 C HIS A 71 9.298 -17.967 -10.388 1.00 0.00 C ATOM 1109 CB HIS A 71 11.773 -17.720 -10.139 1.00 0.00 C ATOM 1110 CG HIS A 71 11.948 -18.892 -9.213 1.00 0.00 C ATOM 1111 ND1 HIS A 71 11.027 -19.927 -9.145 1.00 0.00 N ATOM 1112 CD2 HIS A 71 12.934 -19.211 -8.312 1.00 0.00 C ATOM 1113 CE1 HIS A 71 11.473 -20.809 -8.233 1.00 0.00 C ATOM 1114 NE2 HIS A 71 12.632 -20.420 -7.694 1.00 0.00 N ATOM 0 H HIS A 71 10.932 -17.323 -13.124 1.00 0.00 H new ATOM 0 HA HIS A 71 10.781 -19.001 -11.559 1.00 0.00 H new ATOM 0 HB2 HIS A 71 12.699 -17.530 -10.681 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.548 -16.821 -9.566 1.00 0.00 H new ATOM 0 HD2 HIS A 71 13.811 -18.613 -8.113 1.00 0.00 H new ATOM 0 HE1 HIS A 71 10.957 -21.720 -7.969 1.00 0.00 H new ATOM 0 HE2 HIS A 71 13.178 -20.905 -6.982 1.00 0.00 H new TER 1122 HIS A 71 ATOM 1123 N GLY B 72 -14.568 -13.597 6.984 1.00 0.00 N ATOM 1124 CA GLY B 72 -13.605 -13.791 5.863 1.00 0.00 C ATOM 1125 C GLY B 72 -13.134 -12.426 5.352 1.00 0.00 C ATOM 1126 O GLY B 72 -13.226 -12.128 4.178 1.00 0.00 O ATOM 0 HA2 GLY B 72 -12.752 -14.379 6.200 1.00 0.00 H new ATOM 0 HA3 GLY B 72 -14.078 -14.350 5.056 1.00 0.00 H new ATOM 1131 N SER B 73 -12.633 -11.596 6.224 1.00 0.00 N ATOM 1132 CA SER B 73 -12.160 -10.254 5.786 1.00 0.00 C ATOM 1133 C SER B 73 -10.781 -10.385 5.136 1.00 0.00 C ATOM 1134 O SER B 73 -10.048 -11.319 5.396 1.00 0.00 O ATOM 1135 CB SER B 73 -12.064 -9.326 6.999 1.00 0.00 C ATOM 1136 OG SER B 73 -13.236 -9.466 7.790 1.00 0.00 O ATOM 0 H SER B 73 -12.531 -11.789 7.220 1.00 0.00 H new ATOM 0 HA SER B 73 -12.864 -9.839 5.065 1.00 0.00 H new ATOM 0 HB2 SER B 73 -11.181 -9.571 7.590 1.00 0.00 H new ATOM 0 HB3 SER B 73 -11.953 -8.292 6.673 1.00 0.00 H new ATOM 0 HG SER B 73 -13.177 -8.874 8.569 1.00 0.00 H new ATOM 1142 N MET B 74 -10.421 -9.456 4.293 1.00 0.00 N ATOM 1143 CA MET B 74 -9.089 -9.530 3.627 1.00 0.00 C ATOM 1144 C MET B 74 -8.006 -9.770 4.681 1.00 0.00 C ATOM 1145 O MET B 74 -8.243 -9.654 5.865 1.00 0.00 O ATOM 1146 CB MET B 74 -8.811 -8.216 2.897 1.00 0.00 C ATOM 1147 CG MET B 74 -10.052 -7.798 2.106 1.00 0.00 C ATOM 1148 SD MET B 74 -9.625 -6.444 0.984 1.00 0.00 S ATOM 1149 CE MET B 74 -11.244 -5.637 0.973 1.00 0.00 C ATOM 0 H MET B 74 -10.991 -8.650 4.037 1.00 0.00 H new ATOM 0 HA MET B 74 -9.085 -10.351 2.909 1.00 0.00 H new ATOM 0 HB2 MET B 74 -8.545 -7.439 3.614 1.00 0.00 H new ATOM 0 HB3 MET B 74 -7.961 -8.334 2.225 1.00 0.00 H new ATOM 0 HG2 MET B 74 -10.438 -8.646 1.540 1.00 0.00 H new ATOM 0 HG3 MET B 74 -10.842 -7.484 2.788 1.00 0.00 H new ATOM 0 HE1 MET B 74 -11.208 -4.758 0.329 1.00 0.00 H new ATOM 0 HE2 MET B 74 -11.994 -6.332 0.596 1.00 0.00 H new ATOM 0 HE3 MET B 74 -11.506 -5.334 1.987 1.00 0.00 H new ATOM 1159 N GLY B 75 -6.817 -10.102 4.257 1.00 0.00 N ATOM 1160 CA GLY B 75 -5.719 -10.348 5.236 1.00 0.00 C ATOM 1161 C GLY B 75 -4.390 -10.480 4.491 1.00 0.00 C ATOM 1162 O GLY B 75 -3.617 -11.382 4.739 1.00 0.00 O ATOM 0 H GLY B 75 -6.558 -10.214 3.277 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -5.666 -9.528 5.953 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -5.921 -11.256 5.804 1.00 0.00 H new ATOM 1166 N VAL B 76 -4.116 -9.583 3.581 1.00 0.00 N ATOM 1167 CA VAL B 76 -2.836 -9.659 2.821 1.00 0.00 C ATOM 1168 C VAL B 76 -2.462 -8.260 2.310 1.00 0.00 C ATOM 1169 O VAL B 76 -3.277 -7.593 1.702 1.00 0.00 O ATOM 1170 CB VAL B 76 -3.007 -10.594 1.615 1.00 0.00 C ATOM 1171 CG1 VAL B 76 -2.089 -10.147 0.477 1.00 0.00 C ATOM 1172 CG2 VAL B 76 -2.640 -12.029 1.994 1.00 0.00 C ATOM 0 H VAL B 76 -4.723 -8.802 3.332 1.00 0.00 H new ATOM 0 HA VAL B 76 -2.053 -10.040 3.477 1.00 0.00 H new ATOM 0 HB VAL B 76 -4.049 -10.553 1.299 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -2.215 -10.814 -0.376 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -2.344 -9.129 0.182 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -1.052 -10.178 0.812 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -2.767 -12.678 1.128 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -1.602 -12.064 2.324 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -3.289 -12.370 2.801 1.00 0.00 H new ATOM 1182 N PRO B 77 -1.235 -7.866 2.544 1.00 0.00 N ATOM 1183 CA PRO B 77 -0.737 -6.570 2.081 1.00 0.00 C ATOM 1184 C PRO B 77 -0.507 -6.638 0.589 1.00 0.00 C ATOM 1185 O PRO B 77 -0.443 -7.700 0.007 1.00 0.00 O ATOM 1186 CB PRO B 77 0.593 -6.369 2.814 1.00 0.00 C ATOM 1187 CG PRO B 77 0.917 -7.695 3.543 1.00 0.00 C ATOM 1188 CD PRO B 77 -0.247 -8.660 3.291 1.00 0.00 C ATOM 0 HA PRO B 77 -1.432 -5.753 2.278 1.00 0.00 H new ATOM 0 HB2 PRO B 77 1.385 -6.113 2.111 1.00 0.00 H new ATOM 0 HB3 PRO B 77 0.520 -5.546 3.525 1.00 0.00 H new ATOM 0 HG2 PRO B 77 1.851 -8.117 3.172 1.00 0.00 H new ATOM 0 HG3 PRO B 77 1.047 -7.523 4.611 1.00 0.00 H new ATOM 0 HD2 PRO B 77 0.076 -9.530 2.719 1.00 0.00 H new ATOM 0 HD3 PRO B 77 -0.664 -9.031 4.227 1.00 0.00 H new ATOM 1196 N ILE B 78 -0.383 -5.513 -0.033 1.00 0.00 N ATOM 1197 CA ILE B 78 -0.158 -5.509 -1.492 1.00 0.00 C ATOM 1198 C ILE B 78 0.936 -4.514 -1.830 1.00 0.00 C ATOM 1199 O ILE B 78 0.848 -3.335 -1.544 1.00 0.00 O ATOM 1200 CB ILE B 78 -1.463 -5.170 -2.199 1.00 0.00 C ATOM 1201 CG1 ILE B 78 -2.497 -6.211 -1.771 1.00 0.00 C ATOM 1202 CG2 ILE B 78 -1.248 -5.238 -3.708 1.00 0.00 C ATOM 1203 CD1 ILE B 78 -3.909 -5.759 -2.119 1.00 0.00 C ATOM 0 H ILE B 78 -0.428 -4.593 0.406 1.00 0.00 H new ATOM 0 HA ILE B 78 0.166 -6.493 -1.830 1.00 0.00 H new ATOM 0 HB ILE B 78 -1.803 -4.167 -1.940 1.00 0.00 H new ATOM 0 HG12 ILE B 78 -2.285 -7.161 -2.261 1.00 0.00 H new ATOM 0 HG13 ILE B 78 -2.421 -6.383 -0.697 1.00 0.00 H new ATOM 0 HG21 ILE B 78 -2.180 -4.996 -4.220 1.00 0.00 H new ATOM 0 HG22 ILE B 78 -0.478 -4.523 -3.998 1.00 0.00 H new ATOM 0 HG23 ILE B 78 -0.932 -6.244 -3.986 1.00 0.00 H new ATOM 0 HD11 ILE B 78 -4.623 -6.520 -1.803 1.00 0.00 H new ATOM 0 HD12 ILE B 78 -4.127 -4.821 -1.608 1.00 0.00 H new ATOM 0 HD13 ILE B 78 -3.989 -5.612 -3.196 1.00 0.00 H new ATOM 1215 N CYS B 79 1.987 -5.003 -2.414 1.00 0.00 N ATOM 1216 CA CYS B 79 3.133 -4.131 -2.757 1.00 0.00 C ATOM 1217 C CYS B 79 2.674 -3.012 -3.677 1.00 0.00 C ATOM 1218 O CYS B 79 2.220 -3.232 -4.781 1.00 0.00 O ATOM 1219 CB CYS B 79 4.218 -4.967 -3.434 1.00 0.00 C ATOM 1220 SG CYS B 79 5.489 -3.885 -4.120 1.00 0.00 S ATOM 0 H CYS B 79 2.101 -5.983 -2.671 1.00 0.00 H new ATOM 0 HA CYS B 79 3.540 -3.686 -1.849 1.00 0.00 H new ATOM 0 HB2 CYS B 79 4.663 -5.654 -2.714 1.00 0.00 H new ATOM 0 HB3 CYS B 79 3.780 -5.575 -4.225 1.00 0.00 H new ATOM 1225 N GLY B 80 2.789 -1.802 -3.215 1.00 0.00 N ATOM 1226 CA GLY B 80 2.361 -0.642 -4.040 1.00 0.00 C ATOM 1227 C GLY B 80 3.250 -0.548 -5.277 1.00 0.00 C ATOM 1228 O GLY B 80 3.088 0.327 -6.106 1.00 0.00 O ATOM 0 H GLY B 80 3.163 -1.565 -2.296 1.00 0.00 H new ATOM 0 HA2 GLY B 80 1.318 -0.756 -4.335 1.00 0.00 H new ATOM 0 HA3 GLY B 80 2.429 0.277 -3.458 1.00 0.00 H new ATOM 1232 N ALA B 81 4.190 -1.443 -5.411 1.00 0.00 N ATOM 1233 CA ALA B 81 5.091 -1.403 -6.592 1.00 0.00 C ATOM 1234 C ALA B 81 4.449 -2.171 -7.745 1.00 0.00 C ATOM 1235 O ALA B 81 4.381 -1.696 -8.862 1.00 0.00 O ATOM 1236 CB ALA B 81 6.434 -2.044 -6.228 1.00 0.00 C ATOM 0 H ALA B 81 4.371 -2.200 -4.752 1.00 0.00 H new ATOM 0 HA ALA B 81 5.255 -0.369 -6.894 1.00 0.00 H new ATOM 0 HB1 ALA B 81 7.097 -2.016 -7.093 1.00 0.00 H new ATOM 0 HB2 ALA B 81 6.889 -1.493 -5.404 1.00 0.00 H new ATOM 0 HB3 ALA B 81 6.273 -3.079 -5.927 1.00 0.00 H new ATOM 1242 N CYS B 82 3.979 -3.357 -7.478 1.00 0.00 N ATOM 1243 CA CYS B 82 3.334 -4.173 -8.547 1.00 0.00 C ATOM 1244 C CYS B 82 1.863 -4.390 -8.192 1.00 0.00 C ATOM 1245 O CYS B 82 1.154 -5.110 -8.866 1.00 0.00 O ATOM 1246 CB CYS B 82 4.041 -5.526 -8.644 1.00 0.00 C ATOM 1247 SG CYS B 82 4.463 -6.100 -6.979 1.00 0.00 S ATOM 0 H CYS B 82 4.014 -3.800 -6.560 1.00 0.00 H new ATOM 0 HA CYS B 82 3.407 -3.655 -9.503 1.00 0.00 H new ATOM 0 HB2 CYS B 82 3.396 -6.252 -9.139 1.00 0.00 H new ATOM 0 HB3 CYS B 82 4.943 -5.436 -9.250 1.00 0.00 H new ATOM 1252 N ARG B 83 1.402 -3.781 -7.131 1.00 0.00 N ATOM 1253 CA ARG B 83 -0.015 -3.964 -6.733 1.00 0.00 C ATOM 1254 C ARG B 83 -0.299 -5.458 -6.619 1.00 0.00 C ATOM 1255 O ARG B 83 -1.335 -5.940 -7.030 1.00 0.00 O ATOM 1256 CB ARG B 83 -0.937 -3.339 -7.784 1.00 0.00 C ATOM 1257 CG ARG B 83 -0.722 -1.818 -7.827 1.00 0.00 C ATOM 1258 CD ARG B 83 -1.596 -1.188 -8.920 1.00 0.00 C ATOM 1259 NE ARG B 83 -1.126 -1.620 -10.277 1.00 0.00 N ATOM 1260 CZ ARG B 83 -0.137 -1.014 -10.880 1.00 0.00 C ATOM 1261 NH1 ARG B 83 0.369 0.084 -10.388 1.00 0.00 N ATOM 1262 NH2 ARG B 83 0.318 -1.485 -12.010 1.00 0.00 N ATOM 0 H ARG B 83 1.948 -3.167 -6.527 1.00 0.00 H new ATOM 0 HA ARG B 83 -0.197 -3.476 -5.775 1.00 0.00 H new ATOM 0 HB2 ARG B 83 -0.733 -3.772 -8.763 1.00 0.00 H new ATOM 0 HB3 ARG B 83 -1.977 -3.562 -7.547 1.00 0.00 H new ATOM 0 HG2 ARG B 83 -0.967 -1.382 -6.859 1.00 0.00 H new ATOM 0 HG3 ARG B 83 0.328 -1.597 -8.019 1.00 0.00 H new ATOM 0 HD2 ARG B 83 -2.636 -1.482 -8.778 1.00 0.00 H new ATOM 0 HD3 ARG B 83 -1.558 -0.101 -8.844 1.00 0.00 H new ATOM 0 HE ARG B 83 -1.588 -2.403 -10.739 1.00 0.00 H new ATOM 0 HH11 ARG B 83 -0.007 0.477 -9.525 1.00 0.00 H new ATOM 0 HH12 ARG B 83 1.141 0.549 -10.866 1.00 0.00 H new ATOM 0 HH21 ARG B 83 -0.098 -2.322 -12.418 1.00 0.00 H new ATOM 0 HH22 ARG B 83 1.089 -1.016 -12.484 1.00 0.00 H new ATOM 1276 N ARG B 84 0.627 -6.195 -6.062 1.00 0.00 N ATOM 1277 CA ARG B 84 0.435 -7.664 -5.907 1.00 0.00 C ATOM 1278 C ARG B 84 0.391 -7.996 -4.412 1.00 0.00 C ATOM 1279 O ARG B 84 1.100 -7.389 -3.636 1.00 0.00 O ATOM 1280 CB ARG B 84 1.612 -8.403 -6.557 1.00 0.00 C ATOM 1281 CG ARG B 84 1.289 -8.704 -8.022 1.00 0.00 C ATOM 1282 CD ARG B 84 2.483 -9.403 -8.674 1.00 0.00 C ATOM 1283 NE ARG B 84 3.316 -10.048 -7.620 1.00 0.00 N ATOM 1284 CZ ARG B 84 3.016 -11.245 -7.192 1.00 0.00 C ATOM 1285 NH1 ARG B 84 1.988 -11.876 -7.689 1.00 0.00 N ATOM 1286 NH2 ARG B 84 3.744 -11.808 -6.267 1.00 0.00 N ATOM 0 H ARG B 84 1.514 -5.838 -5.706 1.00 0.00 H new ATOM 0 HA ARG B 84 -0.494 -7.972 -6.387 1.00 0.00 H new ATOM 0 HB2 ARG B 84 2.515 -7.796 -6.491 1.00 0.00 H new ATOM 0 HB3 ARG B 84 1.812 -9.331 -6.021 1.00 0.00 H new ATOM 0 HG2 ARG B 84 0.403 -9.336 -8.088 1.00 0.00 H new ATOM 0 HG3 ARG B 84 1.061 -7.780 -8.553 1.00 0.00 H new ATOM 0 HD2 ARG B 84 2.136 -10.151 -9.387 1.00 0.00 H new ATOM 0 HD3 ARG B 84 3.079 -8.682 -9.234 1.00 0.00 H new ATOM 0 HE ARG B 84 4.120 -9.555 -7.233 1.00 0.00 H new ATOM 0 HH11 ARG B 84 1.419 -11.435 -8.411 1.00 0.00 H new ATOM 0 HH12 ARG B 84 1.753 -12.811 -7.355 1.00 0.00 H new ATOM 0 HH21 ARG B 84 4.547 -11.313 -5.878 1.00 0.00 H new ATOM 0 HH22 ARG B 84 3.510 -12.743 -5.932 1.00 0.00 H new ATOM 1300 N PRO B 85 -0.437 -8.944 -4.039 1.00 0.00 N ATOM 1301 CA PRO B 85 -0.565 -9.342 -2.626 1.00 0.00 C ATOM 1302 C PRO B 85 0.793 -9.758 -2.061 1.00 0.00 C ATOM 1303 O PRO B 85 1.361 -10.756 -2.454 1.00 0.00 O ATOM 1304 CB PRO B 85 -1.559 -10.512 -2.637 1.00 0.00 C ATOM 1305 CG PRO B 85 -2.054 -10.702 -4.087 1.00 0.00 C ATOM 1306 CD PRO B 85 -1.300 -9.695 -4.972 1.00 0.00 C ATOM 0 HA PRO B 85 -0.914 -8.528 -1.991 1.00 0.00 H new ATOM 0 HB2 PRO B 85 -1.081 -11.422 -2.275 1.00 0.00 H new ATOM 0 HB3 PRO B 85 -2.398 -10.306 -1.972 1.00 0.00 H new ATOM 0 HG2 PRO B 85 -1.869 -11.722 -4.424 1.00 0.00 H new ATOM 0 HG3 PRO B 85 -3.130 -10.536 -4.149 1.00 0.00 H new ATOM 0 HD2 PRO B 85 -0.710 -10.203 -5.735 1.00 0.00 H new ATOM 0 HD3 PRO B 85 -1.991 -9.032 -5.493 1.00 0.00 H new ATOM 1314 N ILE B 86 1.314 -8.998 -1.132 1.00 0.00 N ATOM 1315 CA ILE B 86 2.634 -9.360 -0.536 1.00 0.00 C ATOM 1316 C ILE B 86 2.452 -10.603 0.339 1.00 0.00 C ATOM 1317 O ILE B 86 1.353 -10.912 0.759 1.00 0.00 O ATOM 1318 CB ILE B 86 3.176 -8.188 0.291 1.00 0.00 C ATOM 1319 CG1 ILE B 86 3.434 -6.992 -0.633 1.00 0.00 C ATOM 1320 CG2 ILE B 86 4.491 -8.595 0.962 1.00 0.00 C ATOM 1321 CD1 ILE B 86 3.252 -5.685 0.149 1.00 0.00 C ATOM 0 H ILE B 86 0.886 -8.149 -0.763 1.00 0.00 H new ATOM 0 HA ILE B 86 3.354 -9.576 -1.325 1.00 0.00 H new ATOM 0 HB ILE B 86 2.446 -7.917 1.054 1.00 0.00 H new ATOM 0 HG12 ILE B 86 4.444 -7.046 -1.040 1.00 0.00 H new ATOM 0 HG13 ILE B 86 2.747 -7.019 -1.479 1.00 0.00 H new ATOM 0 HG21 ILE B 86 4.874 -7.760 1.549 1.00 0.00 H new ATOM 0 HG22 ILE B 86 4.316 -9.449 1.617 1.00 0.00 H new ATOM 0 HG23 ILE B 86 5.220 -8.866 0.199 1.00 0.00 H new ATOM 0 HD11 ILE B 86 3.436 -4.837 -0.511 1.00 0.00 H new ATOM 0 HD12 ILE B 86 2.234 -5.630 0.534 1.00 0.00 H new ATOM 0 HD13 ILE B 86 3.956 -5.657 0.980 1.00 0.00 H new ATOM 1333 N GLU B 87 3.500 -11.335 0.605 1.00 0.00 N ATOM 1334 CA GLU B 87 3.337 -12.566 1.436 1.00 0.00 C ATOM 1335 C GLU B 87 4.681 -13.002 2.025 1.00 0.00 C ATOM 1336 O GLU B 87 5.166 -14.087 1.768 1.00 0.00 O ATOM 1337 CB GLU B 87 2.771 -13.692 0.566 1.00 0.00 C ATOM 1338 CG GLU B 87 3.423 -13.647 -0.818 1.00 0.00 C ATOM 1339 CD GLU B 87 3.180 -14.973 -1.542 1.00 0.00 C ATOM 1340 OE1 GLU B 87 2.107 -15.134 -2.099 1.00 0.00 O ATOM 1341 OE2 GLU B 87 4.074 -15.805 -1.527 1.00 0.00 O ATOM 0 H GLU B 87 4.450 -11.139 0.289 1.00 0.00 H new ATOM 0 HA GLU B 87 2.652 -12.348 2.256 1.00 0.00 H new ATOM 0 HB2 GLU B 87 2.958 -14.658 1.036 1.00 0.00 H new ATOM 0 HB3 GLU B 87 1.690 -13.586 0.474 1.00 0.00 H new ATOM 0 HG2 GLU B 87 3.010 -12.822 -1.399 1.00 0.00 H new ATOM 0 HG3 GLU B 87 4.493 -13.464 -0.721 1.00 0.00 H new ATOM 1348 N GLY B 88 5.271 -12.166 2.824 1.00 0.00 N ATOM 1349 CA GLY B 88 6.574 -12.508 3.460 1.00 0.00 C ATOM 1350 C GLY B 88 6.942 -11.374 4.402 1.00 0.00 C ATOM 1351 O GLY B 88 6.395 -11.244 5.478 1.00 0.00 O ATOM 0 H GLY B 88 4.904 -11.247 3.069 1.00 0.00 H new ATOM 0 HA2 GLY B 88 6.498 -13.449 4.006 1.00 0.00 H new ATOM 0 HA3 GLY B 88 7.346 -12.641 2.702 1.00 0.00 H new ATOM 1355 N ARG B 89 7.832 -10.531 3.983 1.00 0.00 N ATOM 1356 CA ARG B 89 8.215 -9.363 4.817 1.00 0.00 C ATOM 1357 C ARG B 89 7.724 -8.119 4.089 1.00 0.00 C ATOM 1358 O ARG B 89 8.067 -7.877 2.947 1.00 0.00 O ATOM 1359 CB ARG B 89 9.727 -9.316 4.996 1.00 0.00 C ATOM 1360 CG ARG B 89 10.157 -10.403 5.980 1.00 0.00 C ATOM 1361 CD ARG B 89 11.603 -10.150 6.425 1.00 0.00 C ATOM 1362 NE ARG B 89 12.376 -11.430 6.410 1.00 0.00 N ATOM 1363 CZ ARG B 89 11.868 -12.531 6.902 1.00 0.00 C ATOM 1364 NH1 ARG B 89 10.707 -12.513 7.494 1.00 0.00 N ATOM 1365 NH2 ARG B 89 12.538 -13.647 6.820 1.00 0.00 N ATOM 0 H ARG B 89 8.318 -10.599 3.089 1.00 0.00 H new ATOM 0 HA ARG B 89 7.771 -9.429 5.810 1.00 0.00 H new ATOM 0 HB2 ARG B 89 10.222 -9.463 4.036 1.00 0.00 H new ATOM 0 HB3 ARG B 89 10.030 -8.336 5.365 1.00 0.00 H new ATOM 0 HG2 ARG B 89 9.495 -10.407 6.846 1.00 0.00 H new ATOM 0 HG3 ARG B 89 10.076 -11.384 5.512 1.00 0.00 H new ATOM 0 HD2 ARG B 89 12.074 -9.424 5.762 1.00 0.00 H new ATOM 0 HD3 ARG B 89 11.614 -9.721 7.427 1.00 0.00 H new ATOM 0 HE ARG B 89 13.314 -11.445 6.010 1.00 0.00 H new ATOM 0 HH11 ARG B 89 10.190 -11.638 7.576 1.00 0.00 H new ATOM 0 HH12 ARG B 89 10.316 -13.374 7.876 1.00 0.00 H new ATOM 0 HH21 ARG B 89 13.455 -13.660 6.373 1.00 0.00 H new ATOM 0 HH22 ARG B 89 12.145 -14.507 7.202 1.00 0.00 H new ATOM 1379 N VAL B 90 6.883 -7.360 4.718 1.00 0.00 N ATOM 1380 CA VAL B 90 6.313 -6.155 4.047 1.00 0.00 C ATOM 1381 C VAL B 90 7.053 -4.890 4.464 1.00 0.00 C ATOM 1382 O VAL B 90 7.672 -4.827 5.509 1.00 0.00 O ATOM 1383 CB VAL B 90 4.842 -6.017 4.445 1.00 0.00 C ATOM 1384 CG1 VAL B 90 4.198 -4.849 3.688 1.00 0.00 C ATOM 1385 CG2 VAL B 90 4.094 -7.312 4.103 1.00 0.00 C ATOM 0 H VAL B 90 6.560 -7.517 5.673 1.00 0.00 H new ATOM 0 HA VAL B 90 6.416 -6.279 2.969 1.00 0.00 H new ATOM 0 HB VAL B 90 4.783 -5.827 5.517 1.00 0.00 H new ATOM 0 HG11 VAL B 90 3.151 -4.760 3.979 1.00 0.00 H new ATOM 0 HG12 VAL B 90 4.722 -3.925 3.931 1.00 0.00 H new ATOM 0 HG13 VAL B 90 4.262 -5.031 2.615 1.00 0.00 H new ATOM 0 HG21 VAL B 90 3.046 -7.213 4.387 1.00 0.00 H new ATOM 0 HG22 VAL B 90 4.163 -7.500 3.032 1.00 0.00 H new ATOM 0 HG23 VAL B 90 4.540 -8.144 4.647 1.00 0.00 H new ATOM 1395 N VAL B 91 6.956 -3.865 3.658 1.00 0.00 N ATOM 1396 CA VAL B 91 7.603 -2.571 3.993 1.00 0.00 C ATOM 1397 C VAL B 91 6.510 -1.515 4.007 1.00 0.00 C ATOM 1398 O VAL B 91 5.882 -1.250 3.006 1.00 0.00 O ATOM 1399 CB VAL B 91 8.661 -2.215 2.943 1.00 0.00 C ATOM 1400 CG1 VAL B 91 8.922 -0.704 2.967 1.00 0.00 C ATOM 1401 CG2 VAL B 91 9.957 -2.955 3.268 1.00 0.00 C ATOM 0 H VAL B 91 6.449 -3.874 2.773 1.00 0.00 H new ATOM 0 HA VAL B 91 8.101 -2.631 4.961 1.00 0.00 H new ATOM 0 HB VAL B 91 8.306 -2.506 1.954 1.00 0.00 H new ATOM 0 HG11 VAL B 91 9.675 -0.453 2.220 1.00 0.00 H new ATOM 0 HG12 VAL B 91 7.997 -0.171 2.744 1.00 0.00 H new ATOM 0 HG13 VAL B 91 9.280 -0.412 3.954 1.00 0.00 H new ATOM 0 HG21 VAL B 91 10.714 -2.706 2.525 1.00 0.00 H new ATOM 0 HG22 VAL B 91 10.307 -2.658 4.256 1.00 0.00 H new ATOM 0 HG23 VAL B 91 9.775 -4.030 3.255 1.00 0.00 H new ATOM 1411 N ASN B 92 6.255 -0.921 5.134 1.00 0.00 N ATOM 1412 CA ASN B 92 5.182 0.102 5.194 1.00 0.00 C ATOM 1413 C ASN B 92 5.767 1.477 4.886 1.00 0.00 C ATOM 1414 O ASN B 92 6.455 2.069 5.695 1.00 0.00 O ATOM 1415 CB ASN B 92 4.558 0.103 6.586 1.00 0.00 C ATOM 1416 CG ASN B 92 3.795 -1.203 6.806 1.00 0.00 C ATOM 1417 OD1 ASN B 92 2.883 -1.260 7.606 1.00 0.00 O ATOM 1418 ND2 ASN B 92 4.130 -2.265 6.123 1.00 0.00 N ATOM 0 H ASN B 92 6.741 -1.098 6.013 1.00 0.00 H new ATOM 0 HA ASN B 92 4.414 -0.132 4.456 1.00 0.00 H new ATOM 0 HB2 ASN B 92 5.334 0.215 7.343 1.00 0.00 H new ATOM 0 HB3 ASN B 92 3.884 0.953 6.693 1.00 0.00 H new ATOM 0 HD21 ASN B 92 3.626 -3.141 6.262 1.00 0.00 H new ATOM 0 HD22 ASN B 92 4.896 -2.218 5.451 1.00 0.00 H new ATOM 1425 N ALA B 93 5.494 1.986 3.720 1.00 0.00 N ATOM 1426 CA ALA B 93 6.027 3.323 3.342 1.00 0.00 C ATOM 1427 C ALA B 93 4.987 4.041 2.489 1.00 0.00 C ATOM 1428 O ALA B 93 4.108 3.425 1.920 1.00 0.00 O ATOM 1429 CB ALA B 93 7.314 3.146 2.533 1.00 0.00 C ATOM 0 H ALA B 93 4.922 1.532 3.008 1.00 0.00 H new ATOM 0 HA ALA B 93 6.241 3.906 4.238 1.00 0.00 H new ATOM 0 HB1 ALA B 93 7.706 4.124 2.255 1.00 0.00 H new ATOM 0 HB2 ALA B 93 8.052 2.617 3.135 1.00 0.00 H new ATOM 0 HB3 ALA B 93 7.101 2.571 1.632 1.00 0.00 H new ATOM 1435 N MET B 94 5.067 5.340 2.396 1.00 0.00 N ATOM 1436 CA MET B 94 4.068 6.081 1.581 1.00 0.00 C ATOM 1437 C MET B 94 2.689 5.771 2.133 1.00 0.00 C ATOM 1438 O MET B 94 1.678 5.963 1.487 1.00 0.00 O ATOM 1439 CB MET B 94 4.140 5.615 0.124 1.00 0.00 C ATOM 1440 CG MET B 94 5.599 5.511 -0.332 1.00 0.00 C ATOM 1441 SD MET B 94 6.244 7.169 -0.656 1.00 0.00 S ATOM 1442 CE MET B 94 7.925 6.898 -0.043 1.00 0.00 C ATOM 0 H MET B 94 5.777 5.916 2.847 1.00 0.00 H new ATOM 0 HA MET B 94 4.270 7.151 1.623 1.00 0.00 H new ATOM 0 HB2 MET B 94 3.650 4.647 0.021 1.00 0.00 H new ATOM 0 HB3 MET B 94 3.602 6.315 -0.515 1.00 0.00 H new ATOM 0 HG2 MET B 94 6.197 5.019 0.435 1.00 0.00 H new ATOM 0 HG3 MET B 94 5.668 4.899 -1.232 1.00 0.00 H new ATOM 0 HE1 MET B 94 8.383 7.857 0.199 1.00 0.00 H new ATOM 0 HE2 MET B 94 7.890 6.276 0.851 1.00 0.00 H new ATOM 0 HE3 MET B 94 8.516 6.398 -0.810 1.00 0.00 H new ATOM 1452 N GLY B 95 2.653 5.269 3.325 1.00 0.00 N ATOM 1453 CA GLY B 95 1.353 4.911 3.945 1.00 0.00 C ATOM 1454 C GLY B 95 0.800 3.691 3.213 1.00 0.00 C ATOM 1455 O GLY B 95 -0.393 3.459 3.167 1.00 0.00 O ATOM 0 H GLY B 95 3.473 5.088 3.904 1.00 0.00 H new ATOM 0 HA2 GLY B 95 1.484 4.692 5.005 1.00 0.00 H new ATOM 0 HA3 GLY B 95 0.655 5.746 3.876 1.00 0.00 H new ATOM 1459 N LYS B 96 1.674 2.923 2.628 1.00 0.00 N ATOM 1460 CA LYS B 96 1.250 1.714 1.865 1.00 0.00 C ATOM 1461 C LYS B 96 2.071 0.507 2.313 1.00 0.00 C ATOM 1462 O LYS B 96 2.582 0.455 3.412 1.00 0.00 O ATOM 1463 CB LYS B 96 1.499 1.965 0.373 1.00 0.00 C ATOM 1464 CG LYS B 96 0.626 3.134 -0.118 1.00 0.00 C ATOM 1465 CD LYS B 96 -0.191 2.695 -1.339 1.00 0.00 C ATOM 1466 CE LYS B 96 -0.867 3.914 -1.966 1.00 0.00 C ATOM 1467 NZ LYS B 96 -1.915 4.432 -1.041 1.00 0.00 N ATOM 0 H LYS B 96 2.681 3.083 2.646 1.00 0.00 H new ATOM 0 HA LYS B 96 0.193 1.516 2.045 1.00 0.00 H new ATOM 0 HB2 LYS B 96 2.552 2.191 0.205 1.00 0.00 H new ATOM 0 HB3 LYS B 96 1.271 1.065 -0.198 1.00 0.00 H new ATOM 0 HG2 LYS B 96 -0.042 3.461 0.679 1.00 0.00 H new ATOM 0 HG3 LYS B 96 1.255 3.986 -0.377 1.00 0.00 H new ATOM 0 HD2 LYS B 96 0.458 2.210 -2.069 1.00 0.00 H new ATOM 0 HD3 LYS B 96 -0.941 1.962 -1.043 1.00 0.00 H new ATOM 0 HE2 LYS B 96 -0.128 4.690 -2.166 1.00 0.00 H new ATOM 0 HE3 LYS B 96 -1.313 3.644 -2.923 1.00 0.00 H new ATOM 0 HZ1 LYS B 96 -2.465 5.173 -1.520 1.00 0.00 H new ATOM 0 HZ2 LYS B 96 -2.548 3.655 -0.764 1.00 0.00 H new ATOM 0 HZ3 LYS B 96 -1.463 4.830 -0.193 1.00 0.00 H new ATOM 1481 N GLN B 97 2.196 -0.457 1.450 1.00 0.00 N ATOM 1482 CA GLN B 97 2.977 -1.682 1.756 1.00 0.00 C ATOM 1483 C GLN B 97 3.836 -1.975 0.525 1.00 0.00 C ATOM 1484 O GLN B 97 3.415 -1.729 -0.588 1.00 0.00 O ATOM 1485 CB GLN B 97 1.997 -2.828 2.010 1.00 0.00 C ATOM 1486 CG GLN B 97 1.421 -2.692 3.434 1.00 0.00 C ATOM 1487 CD GLN B 97 -0.060 -3.097 3.462 1.00 0.00 C ATOM 1488 OE1 GLN B 97 -0.702 -3.011 4.488 1.00 0.00 O ATOM 1489 NE2 GLN B 97 -0.632 -3.538 2.377 1.00 0.00 N ATOM 0 H GLN B 97 1.778 -0.446 0.520 1.00 0.00 H new ATOM 0 HA GLN B 97 3.608 -1.561 2.637 1.00 0.00 H new ATOM 0 HB2 GLN B 97 1.192 -2.805 1.275 1.00 0.00 H new ATOM 0 HB3 GLN B 97 2.503 -3.787 1.899 1.00 0.00 H new ATOM 0 HG2 GLN B 97 1.988 -3.319 4.122 1.00 0.00 H new ATOM 0 HG3 GLN B 97 1.528 -1.663 3.778 1.00 0.00 H new ATOM 0 HE21 GLN B 97 -0.096 -3.612 1.512 1.00 0.00 H new ATOM 0 HE22 GLN B 97 -1.615 -3.809 2.393 1.00 0.00 H new ATOM 1498 N TRP B 98 5.040 -2.452 0.688 1.00 0.00 N ATOM 1499 CA TRP B 98 5.890 -2.692 -0.514 1.00 0.00 C ATOM 1500 C TRP B 98 6.704 -3.973 -0.349 1.00 0.00 C ATOM 1501 O TRP B 98 7.234 -4.243 0.708 1.00 0.00 O ATOM 1502 CB TRP B 98 6.840 -1.503 -0.670 1.00 0.00 C ATOM 1503 CG TRP B 98 6.047 -0.237 -0.725 1.00 0.00 C ATOM 1504 CD1 TRP B 98 5.593 0.451 0.351 1.00 0.00 C ATOM 1505 CD2 TRP B 98 5.606 0.498 -1.895 1.00 0.00 C ATOM 1506 NE1 TRP B 98 4.893 1.560 -0.096 1.00 0.00 N ATOM 1507 CE2 TRP B 98 4.873 1.632 -1.472 1.00 0.00 C ATOM 1508 CE3 TRP B 98 5.768 0.287 -3.269 1.00 0.00 C ATOM 1509 CZ2 TRP B 98 4.321 2.524 -2.391 1.00 0.00 C ATOM 1510 CZ3 TRP B 98 5.218 1.181 -4.196 1.00 0.00 C ATOM 1511 CH2 TRP B 98 4.494 2.298 -3.759 1.00 0.00 C ATOM 0 H TRP B 98 5.467 -2.683 1.585 1.00 0.00 H new ATOM 0 HA TRP B 98 5.256 -2.799 -1.394 1.00 0.00 H new ATOM 0 HB2 TRP B 98 7.540 -1.471 0.165 1.00 0.00 H new ATOM 0 HB3 TRP B 98 7.432 -1.614 -1.578 1.00 0.00 H new ATOM 0 HD1 TRP B 98 5.751 0.180 1.384 1.00 0.00 H new ATOM 0 HE1 TRP B 98 4.447 2.241 0.519 1.00 0.00 H new ATOM 0 HE3 TRP B 98 6.322 -0.572 -3.617 1.00 0.00 H new ATOM 0 HZ2 TRP B 98 3.764 3.383 -2.048 1.00 0.00 H new ATOM 0 HZ3 TRP B 98 5.353 1.008 -5.254 1.00 0.00 H new ATOM 0 HH2 TRP B 98 4.070 2.983 -4.478 1.00 0.00 H new ATOM 1522 N HIS B 99 6.845 -4.754 -1.394 1.00 0.00 N ATOM 1523 CA HIS B 99 7.670 -5.987 -1.260 1.00 0.00 C ATOM 1524 C HIS B 99 9.051 -5.545 -0.785 1.00 0.00 C ATOM 1525 O HIS B 99 9.632 -4.627 -1.327 1.00 0.00 O ATOM 1526 CB HIS B 99 7.824 -6.696 -2.611 1.00 0.00 C ATOM 1527 CG HIS B 99 6.614 -7.539 -2.905 1.00 0.00 C ATOM 1528 ND1 HIS B 99 5.786 -7.280 -3.982 1.00 0.00 N ATOM 1529 CD2 HIS B 99 6.096 -8.649 -2.290 1.00 0.00 C ATOM 1530 CE1 HIS B 99 4.816 -8.213 -3.985 1.00 0.00 C ATOM 1531 NE2 HIS B 99 4.961 -9.073 -2.973 1.00 0.00 N ATOM 0 H HIS B 99 6.433 -4.593 -2.313 1.00 0.00 H new ATOM 0 HA HIS B 99 7.194 -6.678 -0.564 1.00 0.00 H new ATOM 0 HB2 HIS B 99 7.961 -5.958 -3.402 1.00 0.00 H new ATOM 0 HB3 HIS B 99 8.716 -7.322 -2.600 1.00 0.00 H new ATOM 0 HD2 HIS B 99 6.506 -9.122 -1.410 1.00 0.00 H new ATOM 0 HE1 HIS B 99 4.020 -8.260 -4.714 1.00 0.00 H new ATOM 0 HE2 HIS B 99 4.366 -9.871 -2.749 1.00 0.00 H new ATOM 1539 N VAL B 100 9.586 -6.173 0.211 1.00 0.00 N ATOM 1540 CA VAL B 100 10.927 -5.766 0.690 1.00 0.00 C ATOM 1541 C VAL B 100 11.882 -5.763 -0.499 1.00 0.00 C ATOM 1542 O VAL B 100 12.972 -5.235 -0.441 1.00 0.00 O ATOM 1543 CB VAL B 100 11.400 -6.766 1.738 1.00 0.00 C ATOM 1544 CG1 VAL B 100 12.921 -6.687 1.879 1.00 0.00 C ATOM 1545 CG2 VAL B 100 10.738 -6.436 3.074 1.00 0.00 C ATOM 0 H VAL B 100 9.156 -6.949 0.715 1.00 0.00 H new ATOM 0 HA VAL B 100 10.894 -4.771 1.135 1.00 0.00 H new ATOM 0 HB VAL B 100 11.126 -7.776 1.433 1.00 0.00 H new ATOM 0 HG11 VAL B 100 13.255 -7.404 2.629 1.00 0.00 H new ATOM 0 HG12 VAL B 100 13.388 -6.920 0.922 1.00 0.00 H new ATOM 0 HG13 VAL B 100 13.206 -5.681 2.186 1.00 0.00 H new ATOM 0 HG21 VAL B 100 11.071 -7.147 3.830 1.00 0.00 H new ATOM 0 HG22 VAL B 100 11.015 -5.427 3.378 1.00 0.00 H new ATOM 0 HG23 VAL B 100 9.655 -6.499 2.969 1.00 0.00 H new ATOM 1555 N GLU B 101 11.472 -6.375 -1.572 1.00 0.00 N ATOM 1556 CA GLU B 101 12.338 -6.443 -2.775 1.00 0.00 C ATOM 1557 C GLU B 101 11.984 -5.324 -3.762 1.00 0.00 C ATOM 1558 O GLU B 101 12.811 -4.898 -4.545 1.00 0.00 O ATOM 1559 CB GLU B 101 12.134 -7.805 -3.453 1.00 0.00 C ATOM 1560 CG GLU B 101 12.830 -7.828 -4.816 1.00 0.00 C ATOM 1561 CD GLU B 101 14.292 -7.404 -4.655 1.00 0.00 C ATOM 1562 OE1 GLU B 101 15.025 -8.120 -3.993 1.00 0.00 O ATOM 1563 OE2 GLU B 101 14.651 -6.371 -5.195 1.00 0.00 O ATOM 0 H GLU B 101 10.566 -6.834 -1.666 1.00 0.00 H new ATOM 0 HA GLU B 101 13.378 -6.320 -2.474 1.00 0.00 H new ATOM 0 HB2 GLU B 101 12.533 -8.598 -2.820 1.00 0.00 H new ATOM 0 HB3 GLU B 101 11.069 -8.001 -3.577 1.00 0.00 H new ATOM 0 HG2 GLU B 101 12.776 -8.828 -5.246 1.00 0.00 H new ATOM 0 HG3 GLU B 101 12.320 -7.156 -5.507 1.00 0.00 H new ATOM 1570 N HIS B 102 10.761 -4.850 -3.752 1.00 0.00 N ATOM 1571 CA HIS B 102 10.375 -3.771 -4.716 1.00 0.00 C ATOM 1572 C HIS B 102 10.437 -2.398 -4.049 1.00 0.00 C ATOM 1573 O HIS B 102 10.306 -1.386 -4.707 1.00 0.00 O ATOM 1574 CB HIS B 102 8.959 -4.026 -5.244 1.00 0.00 C ATOM 1575 CG HIS B 102 8.937 -5.321 -6.012 1.00 0.00 C ATOM 1576 ND1 HIS B 102 7.805 -6.124 -6.113 1.00 0.00 N ATOM 1577 CD2 HIS B 102 9.915 -5.966 -6.733 1.00 0.00 C ATOM 1578 CE1 HIS B 102 8.132 -7.189 -6.869 1.00 0.00 C ATOM 1579 NE2 HIS B 102 9.405 -7.142 -7.270 1.00 0.00 N ATOM 0 H HIS B 102 10.019 -5.160 -3.124 1.00 0.00 H new ATOM 0 HA HIS B 102 11.081 -3.784 -5.546 1.00 0.00 H new ATOM 0 HB2 HIS B 102 8.252 -4.070 -4.415 1.00 0.00 H new ATOM 0 HB3 HIS B 102 8.645 -3.204 -5.887 1.00 0.00 H new ATOM 0 HD2 HIS B 102 10.927 -5.612 -6.862 1.00 0.00 H new ATOM 0 HE1 HIS B 102 7.447 -7.985 -7.121 1.00 0.00 H new ATOM 0 HE2 HIS B 102 9.898 -7.824 -7.847 1.00 0.00 H new ATOM 1587 N PHE B 103 10.668 -2.334 -2.769 1.00 0.00 N ATOM 1588 CA PHE B 103 10.767 -0.999 -2.129 1.00 0.00 C ATOM 1589 C PHE B 103 12.164 -0.476 -2.413 1.00 0.00 C ATOM 1590 O PHE B 103 13.139 -0.961 -1.880 1.00 0.00 O ATOM 1591 CB PHE B 103 10.536 -1.078 -0.622 1.00 0.00 C ATOM 1592 CG PHE B 103 10.309 0.324 -0.098 1.00 0.00 C ATOM 1593 CD1 PHE B 103 9.225 1.079 -0.565 1.00 0.00 C ATOM 1594 CD2 PHE B 103 11.190 0.877 0.842 1.00 0.00 C ATOM 1595 CE1 PHE B 103 9.024 2.380 -0.097 1.00 0.00 C ATOM 1596 CE2 PHE B 103 10.984 2.181 1.309 1.00 0.00 C ATOM 1597 CZ PHE B 103 9.902 2.933 0.839 1.00 0.00 C ATOM 0 H PHE B 103 10.790 -3.134 -2.149 1.00 0.00 H new ATOM 0 HA PHE B 103 10.001 -0.336 -2.532 1.00 0.00 H new ATOM 0 HB2 PHE B 103 9.674 -1.709 -0.403 1.00 0.00 H new ATOM 0 HB3 PHE B 103 11.396 -1.532 -0.130 1.00 0.00 H new ATOM 0 HD1 PHE B 103 8.544 0.655 -1.288 1.00 0.00 H new ATOM 0 HD2 PHE B 103 12.026 0.298 1.205 1.00 0.00 H new ATOM 0 HE1 PHE B 103 8.188 2.960 -0.460 1.00 0.00 H new ATOM 0 HE2 PHE B 103 11.662 2.607 2.034 1.00 0.00 H new ATOM 0 HZ PHE B 103 9.746 3.939 1.199 1.00 0.00 H new ATOM 1607 N VAL B 104 12.270 0.472 -3.295 1.00 0.00 N ATOM 1608 CA VAL B 104 13.610 0.994 -3.670 1.00 0.00 C ATOM 1609 C VAL B 104 13.624 2.513 -3.683 1.00 0.00 C ATOM 1610 O VAL B 104 12.615 3.171 -3.524 1.00 0.00 O ATOM 1611 CB VAL B 104 13.938 0.514 -5.082 1.00 0.00 C ATOM 1612 CG1 VAL B 104 13.910 -1.021 -5.155 1.00 0.00 C ATOM 1613 CG2 VAL B 104 12.907 1.097 -6.054 1.00 0.00 C ATOM 0 H VAL B 104 11.484 0.910 -3.775 1.00 0.00 H new ATOM 0 HA VAL B 104 14.336 0.636 -2.940 1.00 0.00 H new ATOM 0 HB VAL B 104 14.940 0.850 -5.350 1.00 0.00 H new ATOM 0 HG11 VAL B 104 14.146 -1.341 -6.170 1.00 0.00 H new ATOM 0 HG12 VAL B 104 14.646 -1.432 -4.464 1.00 0.00 H new ATOM 0 HG13 VAL B 104 12.917 -1.380 -4.883 1.00 0.00 H new ATOM 0 HG21 VAL B 104 13.131 0.761 -7.066 1.00 0.00 H new ATOM 0 HG22 VAL B 104 11.910 0.760 -5.772 1.00 0.00 H new ATOM 0 HG23 VAL B 104 12.946 2.186 -6.016 1.00 0.00 H new ATOM 1623 N CYS B 105 14.780 3.058 -3.907 1.00 0.00 N ATOM 1624 CA CYS B 105 14.926 4.532 -3.981 1.00 0.00 C ATOM 1625 C CYS B 105 14.105 5.062 -5.153 1.00 0.00 C ATOM 1626 O CYS B 105 13.929 4.395 -6.153 1.00 0.00 O ATOM 1627 CB CYS B 105 16.401 4.852 -4.198 1.00 0.00 C ATOM 1628 SG CYS B 105 16.589 6.510 -4.898 1.00 0.00 S ATOM 0 H CYS B 105 15.645 2.536 -4.044 1.00 0.00 H new ATOM 0 HA CYS B 105 14.572 4.999 -3.062 1.00 0.00 H new ATOM 0 HB2 CYS B 105 16.937 4.787 -3.251 1.00 0.00 H new ATOM 0 HB3 CYS B 105 16.845 4.115 -4.867 1.00 0.00 H new ATOM 1633 N ALA B 106 13.596 6.255 -5.042 1.00 0.00 N ATOM 1634 CA ALA B 106 12.783 6.826 -6.147 1.00 0.00 C ATOM 1635 C ALA B 106 13.686 7.627 -7.091 1.00 0.00 C ATOM 1636 O ALA B 106 13.255 8.568 -7.729 1.00 0.00 O ATOM 1637 CB ALA B 106 11.718 7.736 -5.544 1.00 0.00 C ATOM 0 H ALA B 106 13.709 6.861 -4.230 1.00 0.00 H new ATOM 0 HA ALA B 106 12.307 6.027 -6.715 1.00 0.00 H new ATOM 0 HB1 ALA B 106 11.111 8.164 -6.342 1.00 0.00 H new ATOM 0 HB2 ALA B 106 11.081 7.157 -4.875 1.00 0.00 H new ATOM 0 HB3 ALA B 106 12.199 8.538 -4.984 1.00 0.00 H new ATOM 1643 N LYS B 107 14.938 7.257 -7.185 1.00 0.00 N ATOM 1644 CA LYS B 107 15.879 7.992 -8.091 1.00 0.00 C ATOM 1645 C LYS B 107 16.785 7.000 -8.825 1.00 0.00 C ATOM 1646 O LYS B 107 17.210 7.243 -9.937 1.00 0.00 O ATOM 1647 CB LYS B 107 16.761 8.934 -7.261 1.00 0.00 C ATOM 1648 CG LYS B 107 17.671 9.752 -8.186 1.00 0.00 C ATOM 1649 CD LYS B 107 16.822 10.600 -9.144 1.00 0.00 C ATOM 1650 CE LYS B 107 17.571 11.887 -9.500 1.00 0.00 C ATOM 1651 NZ LYS B 107 17.389 12.885 -8.407 1.00 0.00 N ATOM 0 H LYS B 107 15.352 6.477 -6.674 1.00 0.00 H new ATOM 0 HA LYS B 107 15.294 8.561 -8.814 1.00 0.00 H new ATOM 0 HB2 LYS B 107 16.136 9.602 -6.668 1.00 0.00 H new ATOM 0 HB3 LYS B 107 17.365 8.357 -6.561 1.00 0.00 H new ATOM 0 HG2 LYS B 107 18.319 10.398 -7.594 1.00 0.00 H new ATOM 0 HG3 LYS B 107 18.319 9.085 -8.755 1.00 0.00 H new ATOM 0 HD2 LYS B 107 16.603 10.033 -10.049 1.00 0.00 H new ATOM 0 HD3 LYS B 107 15.866 10.841 -8.680 1.00 0.00 H new ATOM 0 HE2 LYS B 107 18.631 11.676 -9.642 1.00 0.00 H new ATOM 0 HE3 LYS B 107 17.197 12.290 -10.441 1.00 0.00 H new ATOM 0 HZ1 LYS B 107 17.490 13.845 -8.793 1.00 0.00 H new ATOM 0 HZ2 LYS B 107 16.442 12.776 -7.992 1.00 0.00 H new ATOM 0 HZ3 LYS B 107 18.109 12.730 -7.672 1.00 0.00 H new ATOM 1665 N CYS B 108 17.103 5.896 -8.201 1.00 0.00 N ATOM 1666 CA CYS B 108 18.006 4.897 -8.854 1.00 0.00 C ATOM 1667 C CYS B 108 17.378 3.506 -8.803 1.00 0.00 C ATOM 1668 O CYS B 108 17.796 2.606 -9.502 1.00 0.00 O ATOM 1669 CB CYS B 108 19.330 4.876 -8.096 1.00 0.00 C ATOM 1670 SG CYS B 108 19.032 4.289 -6.416 1.00 0.00 S ATOM 0 H CYS B 108 16.778 5.641 -7.268 1.00 0.00 H new ATOM 0 HA CYS B 108 18.164 5.174 -9.896 1.00 0.00 H new ATOM 0 HB2 CYS B 108 20.044 4.225 -8.602 1.00 0.00 H new ATOM 0 HB3 CYS B 108 19.768 5.874 -8.075 1.00 0.00 H new ATOM 1675 N GLU B 109 16.380 3.323 -7.985 1.00 0.00 N ATOM 1676 CA GLU B 109 15.723 1.997 -7.885 1.00 0.00 C ATOM 1677 C GLU B 109 16.644 1.005 -7.179 1.00 0.00 C ATOM 1678 O GLU B 109 16.817 -0.114 -7.616 1.00 0.00 O ATOM 1679 CB GLU B 109 15.363 1.470 -9.281 1.00 0.00 C ATOM 1680 CG GLU B 109 14.842 2.620 -10.154 1.00 0.00 C ATOM 1681 CD GLU B 109 13.876 2.070 -11.206 1.00 0.00 C ATOM 1682 OE1 GLU B 109 12.724 1.852 -10.869 1.00 0.00 O ATOM 1683 OE2 GLU B 109 14.305 1.873 -12.332 1.00 0.00 O ATOM 0 H GLU B 109 15.990 4.044 -7.377 1.00 0.00 H new ATOM 0 HA GLU B 109 14.807 2.109 -7.305 1.00 0.00 H new ATOM 0 HB2 GLU B 109 16.239 1.017 -9.745 1.00 0.00 H new ATOM 0 HB3 GLU B 109 14.606 0.690 -9.201 1.00 0.00 H new ATOM 0 HG2 GLU B 109 14.337 3.361 -9.534 1.00 0.00 H new ATOM 0 HG3 GLU B 109 15.675 3.127 -10.641 1.00 0.00 H new ATOM 1690 N LYS B 110 17.211 1.400 -6.067 1.00 0.00 N ATOM 1691 CA LYS B 110 18.089 0.468 -5.301 1.00 0.00 C ATOM 1692 C LYS B 110 17.270 -0.076 -4.120 1.00 0.00 C ATOM 1693 O LYS B 110 16.948 0.667 -3.215 1.00 0.00 O ATOM 1694 CB LYS B 110 19.314 1.225 -4.777 1.00 0.00 C ATOM 1695 CG LYS B 110 20.413 0.223 -4.394 1.00 0.00 C ATOM 1696 CD LYS B 110 20.335 -0.092 -2.899 1.00 0.00 C ATOM 1697 CE LYS B 110 21.450 -1.071 -2.522 1.00 0.00 C ATOM 1698 NZ LYS B 110 22.758 -0.542 -3.003 1.00 0.00 N ATOM 0 H LYS B 110 17.103 2.328 -5.658 1.00 0.00 H new ATOM 0 HA LYS B 110 18.432 -0.347 -5.938 1.00 0.00 H new ATOM 0 HB2 LYS B 110 19.683 1.912 -5.539 1.00 0.00 H new ATOM 0 HB3 LYS B 110 19.039 1.827 -3.911 1.00 0.00 H new ATOM 0 HG2 LYS B 110 20.300 -0.693 -4.974 1.00 0.00 H new ATOM 0 HG3 LYS B 110 21.393 0.635 -4.637 1.00 0.00 H new ATOM 0 HD2 LYS B 110 20.431 0.825 -2.318 1.00 0.00 H new ATOM 0 HD3 LYS B 110 19.363 -0.522 -2.658 1.00 0.00 H new ATOM 0 HE2 LYS B 110 21.477 -1.210 -1.441 1.00 0.00 H new ATOM 0 HE3 LYS B 110 21.256 -2.048 -2.964 1.00 0.00 H new ATOM 0 HZ1 LYS B 110 23.533 -1.035 -2.514 1.00 0.00 H new ATOM 0 HZ2 LYS B 110 22.840 -0.699 -4.028 1.00 0.00 H new ATOM 0 HZ3 LYS B 110 22.815 0.477 -2.803 1.00 0.00 H new ATOM 1712 N PRO B 111 16.915 -1.341 -4.172 1.00 0.00 N ATOM 1713 CA PRO B 111 16.088 -1.957 -3.122 1.00 0.00 C ATOM 1714 C PRO B 111 16.840 -2.089 -1.802 1.00 0.00 C ATOM 1715 O PRO B 111 17.988 -2.477 -1.752 1.00 0.00 O ATOM 1716 CB PRO B 111 15.740 -3.349 -3.657 1.00 0.00 C ATOM 1717 CG PRO B 111 16.562 -3.568 -4.946 1.00 0.00 C ATOM 1718 CD PRO B 111 17.301 -2.257 -5.262 1.00 0.00 C ATOM 0 HA PRO B 111 15.210 -1.345 -2.913 1.00 0.00 H new ATOM 0 HB2 PRO B 111 15.975 -4.114 -2.917 1.00 0.00 H new ATOM 0 HB3 PRO B 111 14.673 -3.424 -3.865 1.00 0.00 H new ATOM 0 HG2 PRO B 111 17.272 -4.384 -4.812 1.00 0.00 H new ATOM 0 HG3 PRO B 111 15.909 -3.847 -5.773 1.00 0.00 H new ATOM 0 HD2 PRO B 111 18.380 -2.407 -5.290 1.00 0.00 H new ATOM 0 HD3 PRO B 111 17.009 -1.861 -6.235 1.00 0.00 H new ATOM 1726 N PHE B 112 16.163 -1.798 -0.732 1.00 0.00 N ATOM 1727 CA PHE B 112 16.791 -1.933 0.616 1.00 0.00 C ATOM 1728 C PHE B 112 16.414 -3.293 1.205 1.00 0.00 C ATOM 1729 O PHE B 112 15.851 -3.374 2.279 1.00 0.00 O ATOM 1730 CB PHE B 112 17.040 -0.642 2.309 1.00 0.00 C ATOM 1731 CG PHE B 112 16.038 0.424 0.773 1.00 0.00 C ATOM 1732 CD1 PHE B 112 14.838 0.583 0.075 1.00 0.00 C ATOM 1733 CD2 PHE B 112 16.999 1.439 0.758 1.00 0.00 C ATOM 1734 CE1 PHE B 112 14.600 1.761 -0.643 1.00 0.00 C ATOM 1735 CE2 PHE B 112 16.762 2.611 0.042 1.00 0.00 C ATOM 1736 CZ PHE B 112 15.563 2.778 -0.658 1.00 0.00 C ATOM 0 H PHE B 112 15.197 -1.471 -0.728 1.00 0.00 H new ATOM 0 HA PHE B 112 17.722 -1.601 0.156 1.00 0.00 H new ATOM 0 HB2 PHE B 112 16.503 -0.870 3.230 1.00 0.00 H new ATOM 0 HB3 PHE B 112 18.046 -0.335 2.595 1.00 0.00 H new ATOM 0 HD1 PHE B 112 14.096 -0.201 0.089 1.00 0.00 H new ATOM 0 HD2 PHE B 112 17.924 1.315 1.301 1.00 0.00 H new ATOM 0 HE1 PHE B 112 13.674 1.886 -1.185 1.00 0.00 H new ATOM 0 HE2 PHE B 112 17.507 3.393 0.028 1.00 0.00 H new ATOM 0 HZ PHE B 112 15.380 3.689 -1.209 1.00 0.00 H new ATOM 1745 N LEU B 113 16.716 -4.356 0.517 1.00 0.00 N ATOM 1746 CA LEU B 113 16.368 -5.710 1.047 1.00 0.00 C ATOM 1747 C LEU B 113 16.609 -5.731 2.555 1.00 0.00 C ATOM 1748 O LEU B 113 15.729 -6.032 3.338 1.00 0.00 O ATOM 1749 CB LEU B 113 17.258 -6.759 0.377 1.00 0.00 C ATOM 1750 CG LEU B 113 16.612 -7.221 -0.931 1.00 0.00 C ATOM 1751 CD1 LEU B 113 16.410 -6.017 -1.831 1.00 0.00 C ATOM 1752 CD2 LEU B 113 17.517 -8.232 -1.637 1.00 0.00 C ATOM 0 H LEU B 113 17.187 -4.351 -0.387 1.00 0.00 H new ATOM 0 HA LEU B 113 15.322 -5.932 0.837 1.00 0.00 H new ATOM 0 HB2 LEU B 113 18.245 -6.340 0.179 1.00 0.00 H new ATOM 0 HB3 LEU B 113 17.401 -7.609 1.044 1.00 0.00 H new ATOM 0 HG LEU B 113 15.654 -7.694 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU B 113 15.950 -6.335 -2.767 1.00 0.00 H new ATOM 0 HD12 LEU B 113 15.761 -5.296 -1.334 1.00 0.00 H new ATOM 0 HD13 LEU B 113 17.374 -5.553 -2.040 1.00 0.00 H new ATOM 0 HD21 LEU B 113 17.047 -8.554 -2.566 1.00 0.00 H new ATOM 0 HD22 LEU B 113 18.478 -7.768 -1.858 1.00 0.00 H new ATOM 0 HD23 LEU B 113 17.671 -9.096 -0.990 1.00 0.00 H new ATOM 1764 N GLY B 114 17.798 -5.398 2.964 1.00 0.00 N ATOM 1765 CA GLY B 114 18.123 -5.372 4.417 1.00 0.00 C ATOM 1766 C GLY B 114 18.897 -4.094 4.729 1.00 0.00 C ATOM 1767 O GLY B 114 19.732 -4.061 5.613 1.00 0.00 O ATOM 0 H GLY B 114 18.569 -5.139 2.348 1.00 0.00 H new ATOM 0 HA2 GLY B 114 17.208 -5.412 5.008 1.00 0.00 H new ATOM 0 HA3 GLY B 114 18.715 -6.246 4.686 1.00 0.00 H new ATOM 1771 N HIS B 115 18.629 -3.039 4.005 1.00 0.00 N ATOM 1772 CA HIS B 115 19.353 -1.752 4.245 1.00 0.00 C ATOM 1773 C HIS B 115 18.367 -0.675 4.707 1.00 0.00 C ATOM 1774 O HIS B 115 17.180 -0.910 4.816 1.00 0.00 O ATOM 1775 CB HIS B 115 20.033 -1.299 2.947 1.00 0.00 C ATOM 1776 CG HIS B 115 20.447 -2.502 2.145 1.00 0.00 C ATOM 1777 ND1 HIS B 115 20.331 -2.547 0.765 1.00 0.00 N ATOM 1778 CD2 HIS B 115 20.973 -3.712 2.517 1.00 0.00 C ATOM 1779 CE1 HIS B 115 20.780 -3.749 0.360 1.00 0.00 C ATOM 1780 NE2 HIS B 115 21.185 -4.499 1.386 1.00 0.00 N ATOM 0 H HIS B 115 17.938 -3.012 3.255 1.00 0.00 H new ATOM 0 HA HIS B 115 20.105 -1.904 5.019 1.00 0.00 H new ATOM 0 HB2 HIS B 115 19.351 -0.679 2.365 1.00 0.00 H new ATOM 0 HB3 HIS B 115 20.904 -0.686 3.176 1.00 0.00 H new ATOM 0 HD2 HIS B 115 21.190 -4.010 3.532 1.00 0.00 H new ATOM 0 HE1 HIS B 115 20.809 -4.068 -0.671 1.00 0.00 H new ATOM 0 HE2 HIS B 115 21.567 -5.444 1.351 1.00 0.00 H new ATOM 1788 N ARG B 116 18.856 0.506 4.978 1.00 0.00 N ATOM 1789 CA ARG B 116 17.960 1.610 5.432 1.00 0.00 C ATOM 1790 C ARG B 116 17.542 2.453 4.226 1.00 0.00 C ATOM 1791 O ARG B 116 18.308 2.651 3.303 1.00 0.00 O ATOM 1792 CB ARG B 116 18.720 2.494 6.434 1.00 0.00 C ATOM 1793 CG ARG B 116 18.008 3.842 6.592 1.00 0.00 C ATOM 1794 CD ARG B 116 18.553 4.569 7.825 1.00 0.00 C ATOM 1795 NE ARG B 116 17.714 5.769 8.105 1.00 0.00 N ATOM 1796 CZ ARG B 116 17.799 6.369 9.260 1.00 0.00 C ATOM 1797 NH1 ARG B 116 18.620 5.920 10.170 1.00 0.00 N ATOM 1798 NH2 ARG B 116 17.065 7.419 9.506 1.00 0.00 N ATOM 0 H ARG B 116 19.842 0.755 4.904 1.00 0.00 H new ATOM 0 HA ARG B 116 17.073 1.193 5.908 1.00 0.00 H new ATOM 0 HB2 ARG B 116 18.783 1.992 7.399 1.00 0.00 H new ATOM 0 HB3 ARG B 116 19.742 2.652 6.090 1.00 0.00 H new ATOM 0 HG2 ARG B 116 18.160 4.452 5.701 1.00 0.00 H new ATOM 0 HG3 ARG B 116 16.934 3.688 6.693 1.00 0.00 H new ATOM 0 HD2 ARG B 116 18.549 3.900 8.686 1.00 0.00 H new ATOM 0 HD3 ARG B 116 19.588 4.867 7.657 1.00 0.00 H new ATOM 0 HE ARG B 116 17.074 6.121 7.393 1.00 0.00 H new ATOM 0 HH11 ARG B 116 19.195 5.100 9.978 1.00 0.00 H new ATOM 0 HH12 ARG B 116 18.686 6.389 11.073 1.00 0.00 H new ATOM 0 HH21 ARG B 116 16.424 7.771 8.795 1.00 0.00 H new ATOM 0 HH22 ARG B 116 17.132 7.888 10.409 1.00 0.00 H new ATOM 1812 N HIS B 117 16.335 2.964 4.231 1.00 0.00 N ATOM 1813 CA HIS B 117 15.874 3.806 3.086 1.00 0.00 C ATOM 1814 C HIS B 117 15.599 5.220 3.576 1.00 0.00 C ATOM 1815 O HIS B 117 15.590 5.497 4.760 1.00 0.00 O ATOM 1816 CB HIS B 117 14.592 3.239 2.490 1.00 0.00 C ATOM 1817 CG HIS B 117 13.663 2.827 3.597 1.00 0.00 C ATOM 1818 ND1 HIS B 117 13.707 1.568 4.173 1.00 0.00 N ATOM 1819 CD2 HIS B 117 12.658 3.501 4.246 1.00 0.00 C ATOM 1820 CE1 HIS B 117 12.757 1.523 5.125 1.00 0.00 C ATOM 1821 NE2 HIS B 117 12.089 2.678 5.212 1.00 0.00 N ATOM 0 H HIS B 117 15.651 2.834 4.977 1.00 0.00 H new ATOM 0 HA HIS B 117 16.654 3.813 2.324 1.00 0.00 H new ATOM 0 HB2 HIS B 117 14.112 3.985 1.857 1.00 0.00 H new ATOM 0 HB3 HIS B 117 14.821 2.383 1.856 1.00 0.00 H new ATOM 0 HD2 HIS B 117 12.355 4.517 4.038 1.00 0.00 H new ATOM 0 HE1 HIS B 117 12.558 0.660 5.743 1.00 0.00 H new ATOM 0 HE2 HIS B 117 11.326 2.906 5.850 1.00 0.00 H new ATOM 1829 N TYR B 118 15.394 6.122 2.662 1.00 0.00 N ATOM 1830 CA TYR B 118 15.137 7.535 3.033 1.00 0.00 C ATOM 1831 C TYR B 118 13.923 8.043 2.246 1.00 0.00 C ATOM 1832 O TYR B 118 13.763 7.747 1.079 1.00 0.00 O ATOM 1833 CB TYR B 118 16.398 8.326 2.697 1.00 0.00 C ATOM 1834 CG TYR B 118 17.585 7.566 3.249 1.00 0.00 C ATOM 1835 CD1 TYR B 118 17.973 6.349 2.667 1.00 0.00 C ATOM 1836 CD2 TYR B 118 18.276 8.050 4.366 1.00 0.00 C ATOM 1837 CE1 TYR B 118 19.046 5.628 3.197 1.00 0.00 C ATOM 1838 CE2 TYR B 118 19.347 7.319 4.895 1.00 0.00 C ATOM 1839 CZ TYR B 118 19.729 6.111 4.313 1.00 0.00 C ATOM 1840 OH TYR B 118 20.779 5.392 4.848 1.00 0.00 O ATOM 0 H TYR B 118 15.394 5.936 1.659 1.00 0.00 H new ATOM 0 HA TYR B 118 14.913 7.646 4.094 1.00 0.00 H new ATOM 0 HB2 TYR B 118 16.493 8.452 1.618 1.00 0.00 H new ATOM 0 HB3 TYR B 118 16.349 9.325 3.131 1.00 0.00 H new ATOM 0 HD1 TYR B 118 17.441 5.969 1.807 1.00 0.00 H new ATOM 0 HD2 TYR B 118 17.984 8.986 4.819 1.00 0.00 H new ATOM 0 HE1 TYR B 118 19.347 4.696 2.742 1.00 0.00 H new ATOM 0 HE2 TYR B 118 19.879 7.693 5.757 1.00 0.00 H new ATOM 0 HH TYR B 118 20.953 4.604 4.291 1.00 0.00 H new ATOM 1850 N GLU B 119 13.045 8.775 2.888 1.00 0.00 N ATOM 1851 CA GLU B 119 11.812 9.262 2.193 1.00 0.00 C ATOM 1852 C GLU B 119 11.895 10.759 1.906 1.00 0.00 C ATOM 1853 O GLU B 119 12.482 11.521 2.647 1.00 0.00 O ATOM 1854 CB GLU B 119 10.597 8.994 3.089 1.00 0.00 C ATOM 1855 CG GLU B 119 10.137 7.547 2.909 1.00 0.00 C ATOM 1856 CD GLU B 119 9.102 7.202 3.982 1.00 0.00 C ATOM 1857 OE1 GLU B 119 7.930 7.442 3.744 1.00 0.00 O ATOM 1858 OE2 GLU B 119 9.500 6.706 5.022 1.00 0.00 O ATOM 0 H GLU B 119 13.129 9.057 3.865 1.00 0.00 H new ATOM 0 HA GLU B 119 11.718 8.733 1.245 1.00 0.00 H new ATOM 0 HB2 GLU B 119 10.854 9.177 4.132 1.00 0.00 H new ATOM 0 HB3 GLU B 119 9.787 9.678 2.835 1.00 0.00 H new ATOM 0 HG2 GLU B 119 9.706 7.412 1.917 1.00 0.00 H new ATOM 0 HG3 GLU B 119 10.990 6.872 2.981 1.00 0.00 H new ATOM 1865 N ARG B 120 11.287 11.185 0.829 1.00 0.00 N ATOM 1866 CA ARG B 120 11.301 12.635 0.480 1.00 0.00 C ATOM 1867 C ARG B 120 10.050 13.001 -0.326 1.00 0.00 C ATOM 1868 O ARG B 120 9.719 12.370 -1.310 1.00 0.00 O ATOM 1869 CB ARG B 120 12.536 12.962 -0.355 1.00 0.00 C ATOM 1870 CG ARG B 120 12.610 14.480 -0.598 1.00 0.00 C ATOM 1871 CD ARG B 120 12.649 14.763 -2.101 1.00 0.00 C ATOM 1872 NE ARG B 120 11.537 14.042 -2.781 1.00 0.00 N ATOM 1873 CZ ARG B 120 11.212 14.352 -4.006 1.00 0.00 C ATOM 1874 NH1 ARG B 120 11.861 15.293 -4.637 1.00 0.00 N ATOM 1875 NH2 ARG B 120 10.236 13.720 -4.602 1.00 0.00 N ATOM 0 H ARG B 120 10.780 10.588 0.175 1.00 0.00 H new ATOM 0 HA ARG B 120 11.319 13.208 1.407 1.00 0.00 H new ATOM 0 HB2 ARG B 120 13.435 12.622 0.159 1.00 0.00 H new ATOM 0 HB3 ARG B 120 12.494 12.433 -1.307 1.00 0.00 H new ATOM 0 HG2 ARG B 120 11.748 14.972 -0.148 1.00 0.00 H new ATOM 0 HG3 ARG B 120 13.498 14.892 -0.118 1.00 0.00 H new ATOM 0 HD2 ARG B 120 12.563 15.835 -2.281 1.00 0.00 H new ATOM 0 HD3 ARG B 120 13.606 14.446 -2.515 1.00 0.00 H new ATOM 0 HE ARG B 120 11.030 13.306 -2.289 1.00 0.00 H new ATOM 0 HH11 ARG B 120 12.623 15.787 -4.172 1.00 0.00 H new ATOM 0 HH12 ARG B 120 11.606 15.534 -5.595 1.00 0.00 H new ATOM 0 HH21 ARG B 120 9.729 12.985 -4.110 1.00 0.00 H new ATOM 0 HH22 ARG B 120 9.981 13.962 -5.560 1.00 0.00 H new ATOM 1889 N LYS B 121 9.363 14.029 0.089 1.00 0.00 N ATOM 1890 CA LYS B 121 8.138 14.472 -0.629 1.00 0.00 C ATOM 1891 C LYS B 121 7.211 13.288 -0.827 1.00 0.00 C ATOM 1892 O LYS B 121 6.367 13.282 -1.702 1.00 0.00 O ATOM 1893 CB LYS B 121 8.514 15.062 -1.989 1.00 0.00 C ATOM 1894 CG LYS B 121 9.261 16.383 -1.791 1.00 0.00 C ATOM 1895 CD LYS B 121 9.301 17.150 -3.115 1.00 0.00 C ATOM 1896 CE LYS B 121 10.001 18.493 -2.905 1.00 0.00 C ATOM 1897 NZ LYS B 121 9.112 19.401 -2.127 1.00 0.00 N ATOM 0 H LYS B 121 9.603 14.588 0.908 1.00 0.00 H new ATOM 0 HA LYS B 121 7.633 15.235 -0.037 1.00 0.00 H new ATOM 0 HB2 LYS B 121 9.139 14.359 -2.541 1.00 0.00 H new ATOM 0 HB3 LYS B 121 7.616 15.227 -2.585 1.00 0.00 H new ATOM 0 HG2 LYS B 121 8.766 16.982 -1.026 1.00 0.00 H new ATOM 0 HG3 LYS B 121 10.275 16.191 -1.439 1.00 0.00 H new ATOM 0 HD2 LYS B 121 9.829 16.567 -3.870 1.00 0.00 H new ATOM 0 HD3 LYS B 121 8.289 17.310 -3.486 1.00 0.00 H new ATOM 0 HE2 LYS B 121 10.942 18.346 -2.375 1.00 0.00 H new ATOM 0 HE3 LYS B 121 10.245 18.942 -3.868 1.00 0.00 H new ATOM 0 HZ1 LYS B 121 9.454 20.379 -2.213 1.00 0.00 H new ATOM 0 HZ2 LYS B 121 8.142 19.339 -2.498 1.00 0.00 H new ATOM 0 HZ3 LYS B 121 9.118 19.119 -1.126 1.00 0.00 H new ATOM 1911 N GLY B 122 7.351 12.286 -0.016 1.00 0.00 N ATOM 1912 CA GLY B 122 6.463 11.107 -0.156 1.00 0.00 C ATOM 1913 C GLY B 122 7.053 10.137 -1.172 1.00 0.00 C ATOM 1914 O GLY B 122 6.347 9.429 -1.859 1.00 0.00 O ATOM 0 H GLY B 122 8.039 12.231 0.735 1.00 0.00 H new ATOM 0 HA2 GLY B 122 6.345 10.612 0.808 1.00 0.00 H new ATOM 0 HA3 GLY B 122 5.470 11.423 -0.475 1.00 0.00 H new ATOM 1918 N LEU B 123 8.347 10.100 -1.265 1.00 0.00 N ATOM 1919 CA LEU B 123 9.009 9.174 -2.224 1.00 0.00 C ATOM 1920 C LEU B 123 10.290 8.644 -1.591 1.00 0.00 C ATOM 1921 O LEU B 123 10.981 9.344 -0.879 1.00 0.00 O ATOM 1922 CB LEU B 123 9.344 9.909 -3.524 1.00 0.00 C ATOM 1923 CG LEU B 123 8.117 9.963 -4.433 1.00 0.00 C ATOM 1924 CD1 LEU B 123 8.479 10.740 -5.700 1.00 0.00 C ATOM 1925 CD2 LEU B 123 7.680 8.535 -4.805 1.00 0.00 C ATOM 0 H LEU B 123 8.983 10.676 -0.714 1.00 0.00 H new ATOM 0 HA LEU B 123 8.336 8.348 -2.454 1.00 0.00 H new ATOM 0 HB2 LEU B 123 9.685 10.920 -3.301 1.00 0.00 H new ATOM 0 HB3 LEU B 123 10.162 9.403 -4.036 1.00 0.00 H new ATOM 0 HG LEU B 123 7.295 10.458 -3.916 1.00 0.00 H new ATOM 0 HD11 LEU B 123 7.612 10.786 -6.359 1.00 0.00 H new ATOM 0 HD12 LEU B 123 8.785 11.751 -5.432 1.00 0.00 H new ATOM 0 HD13 LEU B 123 9.298 10.237 -6.214 1.00 0.00 H new ATOM 0 HD21 LEU B 123 6.805 8.580 -5.453 1.00 0.00 H new ATOM 0 HD22 LEU B 123 8.493 8.030 -5.327 1.00 0.00 H new ATOM 0 HD23 LEU B 123 7.432 7.983 -3.899 1.00 0.00 H new ATOM 1937 N ALA B 124 10.601 7.404 -1.829 1.00 0.00 N ATOM 1938 CA ALA B 124 11.825 6.823 -1.220 1.00 0.00 C ATOM 1939 C ALA B 124 13.070 7.301 -1.955 1.00 0.00 C ATOM 1940 O ALA B 124 13.041 7.607 -3.130 1.00 0.00 O ATOM 1941 CB ALA B 124 11.774 5.302 -1.312 1.00 0.00 C ATOM 0 H ALA B 124 10.062 6.769 -2.418 1.00 0.00 H new ATOM 0 HA ALA B 124 11.869 7.143 -0.179 1.00 0.00 H new ATOM 0 HB1 ALA B 124 12.674 4.880 -0.864 1.00 0.00 H new ATOM 0 HB2 ALA B 124 10.897 4.934 -0.779 1.00 0.00 H new ATOM 0 HB3 ALA B 124 11.715 5.003 -2.358 1.00 0.00 H new ATOM 1947 N TYR B 125 14.173 7.346 -1.262 1.00 0.00 N ATOM 1948 CA TYR B 125 15.437 7.770 -1.902 1.00 0.00 C ATOM 1949 C TYR B 125 16.595 7.141 -1.148 1.00 0.00 C ATOM 1950 O TYR B 125 16.578 7.061 0.059 1.00 0.00 O ATOM 1951 CB TYR B 125 15.567 9.285 -1.836 1.00 0.00 C ATOM 1952 CG TYR B 125 14.665 9.897 -2.861 1.00 0.00 C ATOM 1953 CD1 TYR B 125 15.075 9.985 -4.193 1.00 0.00 C ATOM 1954 CD2 TYR B 125 13.414 10.377 -2.479 1.00 0.00 C ATOM 1955 CE1 TYR B 125 14.220 10.555 -5.147 1.00 0.00 C ATOM 1956 CE2 TYR B 125 12.567 10.944 -3.422 1.00 0.00 C ATOM 1957 CZ TYR B 125 12.964 11.035 -4.758 1.00 0.00 C ATOM 1958 OH TYR B 125 12.120 11.599 -5.693 1.00 0.00 O ATOM 0 H TYR B 125 14.248 7.105 -0.274 1.00 0.00 H new ATOM 0 HA TYR B 125 15.444 7.454 -2.945 1.00 0.00 H new ATOM 0 HB2 TYR B 125 15.303 9.642 -0.841 1.00 0.00 H new ATOM 0 HB3 TYR B 125 16.600 9.582 -2.018 1.00 0.00 H new ATOM 0 HD1 TYR B 125 16.046 9.616 -4.487 1.00 0.00 H new ATOM 0 HD2 TYR B 125 13.102 10.308 -1.447 1.00 0.00 H new ATOM 0 HE1 TYR B 125 14.530 10.624 -6.179 1.00 0.00 H new ATOM 0 HE2 TYR B 125 11.599 11.316 -3.122 1.00 0.00 H new ATOM 0 HH TYR B 125 11.189 11.446 -5.428 1.00 0.00 H new ATOM 1968 N CYS B 126 17.604 6.694 -1.830 1.00 0.00 N ATOM 1969 CA CYS B 126 18.737 6.089 -1.093 1.00 0.00 C ATOM 1970 C CYS B 126 19.279 7.122 -0.103 1.00 0.00 C ATOM 1971 O CYS B 126 18.832 8.251 -0.062 1.00 0.00 O ATOM 1972 CB CYS B 126 19.864 5.715 -2.058 1.00 0.00 C ATOM 1973 SG CYS B 126 19.341 4.355 -3.118 1.00 0.00 S ATOM 0 H CYS B 126 17.694 6.720 -2.846 1.00 0.00 H new ATOM 0 HA CYS B 126 18.389 5.193 -0.579 1.00 0.00 H new ATOM 0 HB2 CYS B 126 20.134 6.578 -2.666 1.00 0.00 H new ATOM 0 HB3 CYS B 126 20.754 5.429 -1.498 1.00 0.00 H new ATOM 1978 N GLU B 127 20.253 6.753 0.675 1.00 0.00 N ATOM 1979 CA GLU B 127 20.846 7.719 1.648 1.00 0.00 C ATOM 1980 C GLU B 127 21.498 8.874 0.882 1.00 0.00 C ATOM 1981 O GLU B 127 21.496 10.008 1.320 1.00 0.00 O ATOM 1982 CB GLU B 127 21.935 7.020 2.466 1.00 0.00 C ATOM 1983 CG GLU B 127 22.394 7.934 3.607 1.00 0.00 C ATOM 1984 CD GLU B 127 23.170 7.113 4.638 1.00 0.00 C ATOM 1985 OE1 GLU B 127 23.668 6.060 4.276 1.00 0.00 O ATOM 1986 OE2 GLU B 127 23.252 7.552 5.773 1.00 0.00 O ATOM 0 H GLU B 127 20.669 5.822 0.683 1.00 0.00 H new ATOM 0 HA GLU B 127 20.059 8.090 2.304 1.00 0.00 H new ATOM 0 HB2 GLU B 127 21.554 6.082 2.870 1.00 0.00 H new ATOM 0 HB3 GLU B 127 22.781 6.771 1.825 1.00 0.00 H new ATOM 0 HG2 GLU B 127 23.023 8.734 3.216 1.00 0.00 H new ATOM 0 HG3 GLU B 127 21.532 8.407 4.077 1.00 0.00 H new ATOM 1993 N THR B 128 22.083 8.580 -0.246 1.00 0.00 N ATOM 1994 CA THR B 128 22.775 9.636 -1.040 1.00 0.00 C ATOM 1995 C THR B 128 21.806 10.351 -1.974 1.00 0.00 C ATOM 1996 O THR B 128 21.840 11.558 -2.092 1.00 0.00 O ATOM 1997 CB THR B 128 23.895 8.995 -1.864 1.00 0.00 C ATOM 1998 OG1 THR B 128 24.874 8.454 -0.990 1.00 0.00 O ATOM 1999 CG2 THR B 128 24.537 10.051 -2.764 1.00 0.00 C ATOM 0 H THR B 128 22.112 7.646 -0.656 1.00 0.00 H new ATOM 0 HA THR B 128 23.187 10.371 -0.348 1.00 0.00 H new ATOM 0 HB THR B 128 23.481 8.198 -2.482 1.00 0.00 H new ATOM 0 HG1 THR B 128 25.591 8.042 -1.516 1.00 0.00 H new ATOM 0 HG21 THR B 128 25.334 9.594 -3.350 1.00 0.00 H new ATOM 0 HG22 THR B 128 23.784 10.463 -3.435 1.00 0.00 H new ATOM 0 HG23 THR B 128 24.951 10.850 -2.149 1.00 0.00 H new ATOM 2007 N HIS B 129 20.951 9.642 -2.646 1.00 0.00 N ATOM 2008 CA HIS B 129 20.018 10.324 -3.564 1.00 0.00 C ATOM 2009 C HIS B 129 19.074 11.169 -2.734 1.00 0.00 C ATOM 2010 O HIS B 129 18.825 12.317 -3.036 1.00 0.00 O ATOM 2011 CB HIS B 129 19.254 9.288 -4.388 1.00 0.00 C ATOM 2012 CG HIS B 129 20.249 8.521 -5.229 1.00 0.00 C ATOM 2013 ND1 HIS B 129 20.179 7.143 -5.446 1.00 0.00 N ATOM 2014 CD2 HIS B 129 21.362 8.943 -5.914 1.00 0.00 C ATOM 2015 CE1 HIS B 129 21.223 6.806 -6.226 1.00 0.00 C ATOM 2016 NE2 HIS B 129 21.973 7.862 -6.540 1.00 0.00 N ATOM 0 H HIS B 129 20.860 8.627 -2.598 1.00 0.00 H new ATOM 0 HA HIS B 129 20.559 10.966 -4.259 1.00 0.00 H new ATOM 0 HB2 HIS B 129 18.708 8.609 -3.733 1.00 0.00 H new ATOM 0 HB3 HIS B 129 18.517 9.778 -5.024 1.00 0.00 H new ATOM 0 HD2 HIS B 129 21.711 9.964 -5.960 1.00 0.00 H new ATOM 0 HE1 HIS B 129 21.429 5.799 -6.558 1.00 0.00 H new ATOM 0 HE2 HIS B 129 22.815 7.875 -7.116 1.00 0.00 H new ATOM 2024 N TYR B 130 18.581 10.635 -1.660 1.00 0.00 N ATOM 2025 CA TYR B 130 17.699 11.431 -0.798 1.00 0.00 C ATOM 2026 C TYR B 130 18.413 12.726 -0.500 1.00 0.00 C ATOM 2027 O TYR B 130 17.925 13.809 -0.748 1.00 0.00 O ATOM 2028 CB TYR B 130 17.501 10.684 0.512 1.00 0.00 C ATOM 2029 CG TYR B 130 16.834 11.586 1.516 1.00 0.00 C ATOM 2030 CD1 TYR B 130 15.838 12.475 1.102 1.00 0.00 C ATOM 2031 CD2 TYR B 130 17.213 11.539 2.861 1.00 0.00 C ATOM 2032 CE1 TYR B 130 15.225 13.311 2.027 1.00 0.00 C ATOM 2033 CE2 TYR B 130 16.593 12.379 3.791 1.00 0.00 C ATOM 2034 CZ TYR B 130 15.597 13.267 3.374 1.00 0.00 C ATOM 2035 OH TYR B 130 14.985 14.096 4.291 1.00 0.00 O ATOM 0 H TYR B 130 18.755 9.680 -1.347 1.00 0.00 H new ATOM 0 HA TYR B 130 16.737 11.609 -1.279 1.00 0.00 H new ATOM 0 HB2 TYR B 130 16.892 9.795 0.346 1.00 0.00 H new ATOM 0 HB3 TYR B 130 18.463 10.344 0.897 1.00 0.00 H new ATOM 0 HD1 TYR B 130 15.545 12.512 0.063 1.00 0.00 H new ATOM 0 HD2 TYR B 130 17.984 10.854 3.181 1.00 0.00 H new ATOM 0 HE1 TYR B 130 14.457 13.998 1.704 1.00 0.00 H new ATOM 0 HE2 TYR B 130 16.883 12.342 4.831 1.00 0.00 H new ATOM 0 HH TYR B 130 15.612 14.796 4.569 1.00 0.00 H new ATOM 2045 N ASN B 131 19.580 12.596 0.039 1.00 0.00 N ATOM 2046 CA ASN B 131 20.367 13.792 0.372 1.00 0.00 C ATOM 2047 C ASN B 131 20.720 14.528 -0.915 1.00 0.00 C ATOM 2048 O ASN B 131 20.582 15.734 -1.004 1.00 0.00 O ATOM 2049 CB ASN B 131 21.641 13.393 1.113 1.00 0.00 C ATOM 2050 CG ASN B 131 21.309 13.079 2.573 1.00 0.00 C ATOM 2051 OD1 ASN B 131 21.249 13.970 3.400 1.00 0.00 O ATOM 2052 ND2 ASN B 131 21.091 11.843 2.930 1.00 0.00 N ATOM 0 H ASN B 131 20.024 11.705 0.264 1.00 0.00 H new ATOM 0 HA ASN B 131 19.781 14.446 1.019 1.00 0.00 H new ATOM 0 HB2 ASN B 131 22.093 12.523 0.637 1.00 0.00 H new ATOM 0 HB3 ASN B 131 22.372 14.200 1.061 1.00 0.00 H new ATOM 0 HD21 ASN B 131 20.870 11.624 3.902 1.00 0.00 H new ATOM 0 HD22 ASN B 131 21.141 11.096 2.238 1.00 0.00 H new ATOM 2059 N GLN B 132 21.151 13.824 -1.927 1.00 0.00 N ATOM 2060 CA GLN B 132 21.474 14.525 -3.201 1.00 0.00 C ATOM 2061 C GLN B 132 20.235 15.314 -3.592 1.00 0.00 C ATOM 2062 O GLN B 132 20.300 16.399 -4.133 1.00 0.00 O ATOM 2063 CB GLN B 132 21.810 13.516 -4.305 1.00 0.00 C ATOM 2064 CG GLN B 132 22.597 14.215 -5.416 1.00 0.00 C ATOM 2065 CD GLN B 132 24.036 14.447 -4.956 1.00 0.00 C ATOM 2066 OE1 GLN B 132 24.346 14.297 -3.790 1.00 0.00 O ATOM 2067 NE2 GLN B 132 24.938 14.806 -5.829 1.00 0.00 N ATOM 0 H GLN B 132 21.291 12.814 -1.928 1.00 0.00 H new ATOM 0 HA GLN B 132 22.340 15.174 -3.071 1.00 0.00 H new ATOM 0 HB2 GLN B 132 22.394 12.693 -3.894 1.00 0.00 H new ATOM 0 HB3 GLN B 132 20.894 13.086 -4.710 1.00 0.00 H new ATOM 0 HG2 GLN B 132 22.587 13.607 -6.321 1.00 0.00 H new ATOM 0 HG3 GLN B 132 22.127 15.166 -5.666 1.00 0.00 H new ATOM 0 HE21 GLN B 132 24.679 14.932 -6.807 1.00 0.00 H new ATOM 0 HE22 GLN B 132 25.902 14.960 -5.533 1.00 0.00 H new ATOM 2076 N LEU B 133 19.098 14.761 -3.288 1.00 0.00 N ATOM 2077 CA LEU B 133 17.814 15.439 -3.596 1.00 0.00 C ATOM 2078 C LEU B 133 17.550 16.519 -2.545 1.00 0.00 C ATOM 2079 O LEU B 133 16.996 17.562 -2.837 1.00 0.00 O ATOM 2080 CB LEU B 133 16.677 14.409 -3.556 1.00 0.00 C ATOM 2081 CG LEU B 133 16.434 13.814 -4.954 1.00 0.00 C ATOM 2082 CD1 LEU B 133 17.277 12.554 -5.154 1.00 0.00 C ATOM 2083 CD2 LEU B 133 14.960 13.450 -5.090 1.00 0.00 C ATOM 0 H LEU B 133 19.003 13.854 -2.832 1.00 0.00 H new ATOM 0 HA LEU B 133 17.866 15.893 -4.586 1.00 0.00 H new ATOM 0 HB2 LEU B 133 16.925 13.613 -2.854 1.00 0.00 H new ATOM 0 HB3 LEU B 133 15.764 14.881 -3.192 1.00 0.00 H new ATOM 0 HG LEU B 133 16.715 14.552 -5.705 1.00 0.00 H new ATOM 0 HD11 LEU B 133 17.092 12.147 -6.148 1.00 0.00 H new ATOM 0 HD12 LEU B 133 18.333 12.803 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU B 133 17.007 11.812 -4.402 1.00 0.00 H new ATOM 0 HD21 LEU B 133 14.779 13.027 -6.078 1.00 0.00 H new ATOM 0 HD22 LEU B 133 14.694 12.717 -4.328 1.00 0.00 H new ATOM 0 HD23 LEU B 133 14.351 14.345 -4.961 1.00 0.00 H new ATOM 2095 N PHE B 134 17.927 16.271 -1.323 1.00 0.00 N ATOM 2096 CA PHE B 134 17.683 17.276 -0.250 1.00 0.00 C ATOM 2097 C PHE B 134 18.637 17.037 0.920 1.00 0.00 C ATOM 2098 O PHE B 134 19.656 17.686 1.052 1.00 0.00 O ATOM 2099 CB PHE B 134 16.236 17.139 0.242 1.00 0.00 C ATOM 2100 CG PHE B 134 15.326 17.972 -0.625 1.00 0.00 C ATOM 2101 CD1 PHE B 134 15.156 19.335 -0.355 1.00 0.00 C ATOM 2102 CD2 PHE B 134 14.657 17.380 -1.698 1.00 0.00 C ATOM 2103 CE1 PHE B 134 14.311 20.107 -1.165 1.00 0.00 C ATOM 2104 CE2 PHE B 134 13.812 18.150 -2.508 1.00 0.00 C ATOM 2105 CZ PHE B 134 13.641 19.515 -2.240 1.00 0.00 C ATOM 0 H PHE B 134 18.394 15.416 -1.020 1.00 0.00 H new ATOM 0 HA PHE B 134 17.852 18.277 -0.648 1.00 0.00 H new ATOM 0 HB2 PHE B 134 15.928 16.094 0.211 1.00 0.00 H new ATOM 0 HB3 PHE B 134 16.162 17.462 1.280 1.00 0.00 H new ATOM 0 HD1 PHE B 134 15.675 19.791 0.475 1.00 0.00 H new ATOM 0 HD2 PHE B 134 14.791 16.328 -1.904 1.00 0.00 H new ATOM 0 HE1 PHE B 134 14.178 21.159 -0.959 1.00 0.00 H new ATOM 0 HE2 PHE B 134 13.293 17.692 -3.337 1.00 0.00 H new ATOM 0 HZ PHE B 134 12.991 20.110 -2.864 1.00 0.00 H new ATOM 2115 N GLY B 135 18.305 16.111 1.770 1.00 0.00 N ATOM 2116 CA GLY B 135 19.175 15.819 2.945 1.00 0.00 C ATOM 2117 C GLY B 135 18.792 16.739 4.106 1.00 0.00 C ATOM 2118 O GLY B 135 19.618 17.115 4.914 1.00 0.00 O ATOM 0 H GLY B 135 17.463 15.538 1.704 1.00 0.00 H new ATOM 0 HA2 GLY B 135 19.065 14.776 3.242 1.00 0.00 H new ATOM 0 HA3 GLY B 135 20.222 15.966 2.681 1.00 0.00 H new ATOM 2122 N ASP B 136 17.543 17.105 4.193 1.00 0.00 N ATOM 2123 CA ASP B 136 17.105 18.000 5.299 1.00 0.00 C ATOM 2124 C ASP B 136 18.056 19.193 5.401 1.00 0.00 C ATOM 2125 O ASP B 136 18.565 19.506 6.458 1.00 0.00 O ATOM 2126 CB ASP B 136 17.114 17.226 6.618 1.00 0.00 C ATOM 2127 CG ASP B 136 15.938 16.246 6.645 1.00 0.00 C ATOM 2128 OD1 ASP B 136 15.339 16.044 5.601 1.00 0.00 O ATOM 2129 OD2 ASP B 136 15.658 15.718 7.707 1.00 0.00 O ATOM 0 H ASP B 136 16.807 16.823 3.546 1.00 0.00 H new ATOM 0 HA ASP B 136 16.096 18.358 5.095 1.00 0.00 H new ATOM 0 HB2 ASP B 136 18.054 16.685 6.728 1.00 0.00 H new ATOM 0 HB3 ASP B 136 17.044 17.917 7.458 1.00 0.00 H new ATOM 2134 N VAL B 137 18.301 19.863 4.307 1.00 0.00 N ATOM 2135 CA VAL B 137 19.222 21.038 4.344 1.00 0.00 C ATOM 2136 C VAL B 137 19.002 21.895 3.098 1.00 0.00 C ATOM 2137 O VAL B 137 19.430 21.690 3.071 1.00 0.00 O ATOM 2138 CB VAL B 137 20.670 20.546 4.378 1.00 0.00 C ATOM 2139 CG1 VAL B 137 20.993 19.814 3.076 1.00 0.00 C ATOM 2140 CG2 VAL B 137 21.609 21.747 4.532 1.00 0.00 C ATOM 0 H VAL B 137 17.905 19.649 3.392 1.00 0.00 H new ATOM 0 HA VAL B 137 19.020 21.634 5.234 1.00 0.00 H new ATOM 0 HB VAL B 137 20.803 19.865 5.219 1.00 0.00 H new ATOM 0 HG11 VAL B 137 22.025 19.464 3.102 1.00 0.00 H new ATOM 0 HG12 VAL B 137 20.323 18.961 2.962 1.00 0.00 H new ATOM 0 HG13 VAL B 137 20.861 20.494 2.234 1.00 0.00 H new ATOM 0 HG21 VAL B 137 22.642 21.400 4.557 1.00 0.00 H new ATOM 0 HG22 VAL B 137 21.474 22.425 3.689 1.00 0.00 H new ATOM 0 HG23 VAL B 137 21.380 22.271 5.460 1.00 0.00 H new TER 2150 VAL B 137 HETATM 2151 ZN ZN B 138 6.004 -5.792 -5.298 1.00 0.00 ZN HETATM 2152 ZN ZN B 139 18.793 5.868 -4.764 1.00 0.00 ZN