USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 946 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 36 HIS : no HD1:sc= -0.115 K(o=-0.039,f=-0.85) USER MOD Set 1.2: A 87 TYR OH : rot -30:sc= 0.0754 USER MOD Set 1.3: A 102 TYR OH : rot 130:sc= 0 USER MOD Set 2.1: A 52 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 26 TYR OH : rot 46:sc= 1.24 USER MOD Set 3.2: A 93 THR OG1 : rot 73:sc= 0.203 USER MOD Set 4.1: A 11 HIS : no HD1:sc=-0.00282 X(o=-0.036,f=-0.07) USER MOD Set 4.2: A 18 THR OG1 : rot 180:sc= -0.0335 USER MOD Single : A 1 GLY N :NH3+ -132:sc= 0.0921 (180deg=0) USER MOD Single : A 2 MET CE :methyl -135:sc= 0 (180deg=-0.217) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.18) USER MOD Single : A 12 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0303) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 62:sc= 0.0612 USER MOD Single : A 39 SER OG : rot -62:sc= 0.333 USER MOD Single : A 43 GLN : amide:sc= 0.751 K(o=0.75,f=0) USER MOD Single : A 45 HIS :FLIP no HD1:sc= -0.795 F(o=-1.4,f=-0.79) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 51 GLN : amide:sc= 0.285 X(o=0.29,f=-0.00067) USER MOD Single : A 54 LYS NZ :NH3+ 143:sc= -2.32! (180deg=-3.85!) USER MOD Single : A 56 ASN : amide:sc= -0.0978 X(o=-0.098,f=-0.098) USER MOD Single : A 67 GLN : amide:sc= -0.0678 K(o=-0.068,f=-0.77) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= -0.452 X(o=-0.45,f=-0.041) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot -85:sc= 0.895 USER MOD Single : A 95 LYS NZ :NH3+ 171:sc= 0.415 (180deg=0.401) USER MOD Single : A 97 GLN : amide:sc= -0.0823 X(o=-0.082,f=-0.13) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 15:sc= 0.998 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 MET CE :methyl -169:sc= 0 (180deg=-0.127) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.255 0.403 13.801 1.00 53.33 N ATOM 2 CA GLY A 1 18.997 0.152 12.560 1.00 2.32 C ATOM 3 C GLY A 1 18.297 0.758 11.365 1.00 51.13 C ATOM 4 O GLY A 1 17.528 1.705 11.528 1.00 75.43 O ATOM 0 H1 GLY A 1 18.907 0.755 14.530 1.00 53.33 H new ATOM 0 H2 GLY A 1 17.516 1.113 13.626 1.00 53.33 H new ATOM 0 H3 GLY A 1 17.815 -0.481 14.128 1.00 53.33 H new ATOM 0 HA2 GLY A 1 20.001 0.568 12.645 1.00 2.32 H new ATOM 0 HA3 GLY A 1 19.108 -0.922 12.412 1.00 2.32 H new ATOM 8 N MET A 2 18.550 0.237 10.163 1.00 41.14 N ATOM 9 CA MET A 2 17.697 0.453 8.997 1.00 71.14 C ATOM 10 C MET A 2 17.496 -0.877 8.280 1.00 30.44 C ATOM 11 O MET A 2 18.361 -1.756 8.316 1.00 3.33 O ATOM 12 CB MET A 2 18.196 1.595 8.098 1.00 13.23 C ATOM 13 CG MET A 2 19.488 1.230 7.387 1.00 1.35 C ATOM 14 SD MET A 2 20.842 2.439 7.470 1.00 34.34 S ATOM 15 CE MET A 2 20.077 3.901 6.725 1.00 43.22 C ATOM 0 H MET A 2 19.361 -0.352 9.972 1.00 41.14 H new ATOM 0 HA MET A 2 16.717 0.803 9.321 1.00 71.14 H new ATOM 0 HB2 MET A 2 17.431 1.837 7.360 1.00 13.23 H new ATOM 0 HB3 MET A 2 18.353 2.490 8.700 1.00 13.23 H new ATOM 0 HG2 MET A 2 19.848 0.288 7.801 1.00 1.35 H new ATOM 0 HG3 MET A 2 19.258 1.050 6.337 1.00 1.35 H new ATOM 0 HE1 MET A 2 20.771 4.353 6.016 1.00 43.22 H new ATOM 0 HE2 MET A 2 19.165 3.609 6.204 1.00 43.22 H new ATOM 0 HE3 MET A 2 19.834 4.622 7.505 1.00 43.22 H new ATOM 25 N ARG A 3 16.350 -1.018 7.628 1.00 44.24 N ATOM 26 CA ARG A 3 15.942 -2.181 6.868 1.00 64.20 C ATOM 27 C ARG A 3 15.716 -1.670 5.458 1.00 4.11 C ATOM 28 O ARG A 3 14.663 -1.102 5.209 1.00 43.31 O ATOM 29 CB ARG A 3 14.652 -2.758 7.490 1.00 24.01 C ATOM 30 CG ARG A 3 14.835 -3.455 8.843 1.00 64.24 C ATOM 31 CD ARG A 3 15.214 -4.926 8.672 1.00 25.21 C ATOM 32 NE ARG A 3 16.602 -5.092 8.208 1.00 44.52 N ATOM 33 CZ ARG A 3 17.627 -5.619 8.882 1.00 5.34 C ATOM 34 NH1 ARG A 3 17.457 -6.116 10.107 1.00 70.01 N ATOM 35 NH2 ARG A 3 18.826 -5.652 8.306 1.00 42.21 N ATOM 0 H ARG A 3 15.645 -0.281 7.618 1.00 44.24 H new ATOM 0 HA ARG A 3 16.679 -2.984 6.870 1.00 64.20 H new ATOM 0 HB2 ARG A 3 13.932 -1.948 7.611 1.00 24.01 H new ATOM 0 HB3 ARG A 3 14.216 -3.470 6.789 1.00 24.01 H new ATOM 0 HG2 ARG A 3 15.609 -2.943 9.415 1.00 64.24 H new ATOM 0 HG3 ARG A 3 13.912 -3.381 9.419 1.00 64.24 H new ATOM 0 HD2 ARG A 3 15.085 -5.445 9.622 1.00 25.21 H new ATOM 0 HD3 ARG A 3 14.536 -5.394 7.958 1.00 25.21 H new ATOM 0 HE ARG A 3 16.803 -4.767 7.262 1.00 44.52 H new ATOM 0 HH11 ARG A 3 16.534 -6.097 10.542 1.00 70.01 H new ATOM 0 HH12 ARG A 3 18.249 -6.515 10.610 1.00 70.01 H new ATOM 0 HH21 ARG A 3 18.950 -5.279 7.365 1.00 42.21 H new ATOM 0 HH22 ARG A 3 19.621 -6.051 8.805 1.00 42.21 H new ATOM 49 N ILE A 4 16.679 -1.825 4.551 1.00 64.23 N ATOM 50 CA ILE A 4 16.539 -1.414 3.149 1.00 64.31 C ATOM 51 C ILE A 4 16.617 -2.682 2.296 1.00 72.33 C ATOM 52 O ILE A 4 17.541 -3.471 2.510 1.00 25.02 O ATOM 53 CB ILE A 4 17.648 -0.412 2.751 1.00 34.31 C ATOM 54 CG1 ILE A 4 17.705 0.768 3.743 1.00 13.23 C ATOM 55 CG2 ILE A 4 17.436 0.074 1.304 1.00 54.41 C ATOM 56 CD1 ILE A 4 18.699 1.872 3.372 1.00 33.41 C ATOM 0 H ILE A 4 17.585 -2.241 4.766 1.00 64.23 H new ATOM 0 HA ILE A 4 15.587 -0.906 2.994 1.00 64.31 H new ATOM 0 HB ILE A 4 18.611 -0.921 2.796 1.00 34.31 H new ATOM 0 HG12 ILE A 4 16.710 1.206 3.822 1.00 13.23 H new ATOM 0 HG13 ILE A 4 17.963 0.383 4.729 1.00 13.23 H new ATOM 0 HG21 ILE A 4 18.224 0.779 1.038 1.00 54.41 H new ATOM 0 HG22 ILE A 4 17.467 -0.779 0.626 1.00 54.41 H new ATOM 0 HG23 ILE A 4 16.467 0.566 1.224 1.00 54.41 H new ATOM 0 HD11 ILE A 4 18.669 2.658 4.127 1.00 33.41 H new ATOM 0 HD12 ILE A 4 19.705 1.455 3.323 1.00 33.41 H new ATOM 0 HD13 ILE A 4 18.432 2.291 2.402 1.00 33.41 H new ATOM 68 N PRO A 5 15.693 -2.934 1.349 1.00 10.15 N ATOM 69 CA PRO A 5 15.778 -4.126 0.517 1.00 5.53 C ATOM 70 C PRO A 5 17.018 -4.148 -0.372 1.00 71.31 C ATOM 71 O PRO A 5 17.581 -3.113 -0.731 1.00 71.32 O ATOM 72 CB PRO A 5 14.480 -4.189 -0.295 1.00 23.13 C ATOM 73 CG PRO A 5 13.854 -2.808 -0.163 1.00 63.03 C ATOM 74 CD PRO A 5 14.431 -2.238 1.133 1.00 65.14 C ATOM 0 HA PRO A 5 15.886 -5.011 1.144 1.00 5.53 H new ATOM 0 HB2 PRO A 5 14.681 -4.431 -1.339 1.00 23.13 H new ATOM 0 HB3 PRO A 5 13.813 -4.961 0.089 1.00 23.13 H new ATOM 0 HG2 PRO A 5 14.103 -2.178 -1.017 1.00 63.03 H new ATOM 0 HG3 PRO A 5 12.767 -2.870 -0.118 1.00 63.03 H new ATOM 0 HD2 PRO A 5 14.587 -1.162 1.051 1.00 65.14 H new ATOM 0 HD3 PRO A 5 13.749 -2.398 1.968 1.00 65.14 H new ATOM 82 N SER A 6 17.399 -5.364 -0.756 1.00 13.52 N ATOM 83 CA SER A 6 18.201 -5.692 -1.924 1.00 41.23 C ATOM 84 C SER A 6 17.344 -6.396 -2.990 1.00 51.14 C ATOM 85 O SER A 6 17.851 -6.704 -4.072 1.00 50.23 O ATOM 86 CB SER A 6 19.370 -6.590 -1.517 1.00 23.03 C ATOM 87 OG SER A 6 20.382 -5.882 -0.821 1.00 44.11 O ATOM 0 H SER A 6 17.138 -6.195 -0.225 1.00 13.52 H new ATOM 0 HA SER A 6 18.590 -4.767 -2.349 1.00 41.23 H new ATOM 0 HB2 SER A 6 19.000 -7.400 -0.888 1.00 23.03 H new ATOM 0 HB3 SER A 6 19.799 -7.048 -2.408 1.00 23.03 H new ATOM 0 HG SER A 6 21.106 -6.498 -0.581 1.00 44.11 H new ATOM 93 N ALA A 7 16.054 -6.644 -2.731 1.00 62.01 N ATOM 94 CA ALA A 7 15.078 -6.924 -3.765 1.00 34.42 C ATOM 95 C ALA A 7 14.026 -5.830 -3.741 1.00 4.44 C ATOM 96 O ALA A 7 13.199 -5.787 -2.839 1.00 70.00 O ATOM 97 CB ALA A 7 14.490 -8.323 -3.576 1.00 50.10 C ATOM 0 H ALA A 7 15.666 -6.654 -1.788 1.00 62.01 H new ATOM 0 HA ALA A 7 15.545 -6.923 -4.750 1.00 34.42 H new ATOM 0 HB1 ALA A 7 13.759 -8.519 -4.360 1.00 50.10 H new ATOM 0 HB2 ALA A 7 15.288 -9.064 -3.631 1.00 50.10 H new ATOM 0 HB3 ALA A 7 14.004 -8.385 -2.602 1.00 50.10 H new ATOM 103 N ILE A 8 14.092 -4.936 -4.719 1.00 73.03 N ATOM 104 CA ILE A 8 12.935 -4.248 -5.257 1.00 34.31 C ATOM 105 C ILE A 8 12.667 -4.961 -6.572 1.00 21.13 C ATOM 106 O ILE A 8 13.460 -4.839 -7.514 1.00 13.15 O ATOM 107 CB ILE A 8 13.230 -2.745 -5.459 1.00 73.44 C ATOM 108 CG1 ILE A 8 13.538 -2.034 -4.131 1.00 61.21 C ATOM 109 CG2 ILE A 8 12.096 -2.040 -6.230 1.00 41.14 C ATOM 110 CD1 ILE A 8 12.382 -2.089 -3.141 1.00 13.44 C ATOM 0 H ILE A 8 14.969 -4.667 -5.166 1.00 73.03 H new ATOM 0 HA ILE A 8 12.071 -4.279 -4.593 1.00 34.31 H new ATOM 0 HB ILE A 8 14.129 -2.679 -6.071 1.00 73.44 H new ATOM 0 HG12 ILE A 8 14.418 -2.489 -3.678 1.00 61.21 H new ATOM 0 HG13 ILE A 8 13.786 -0.992 -4.333 1.00 61.21 H new ATOM 0 HG21 ILE A 8 12.340 -0.985 -6.352 1.00 41.14 H new ATOM 0 HG22 ILE A 8 11.981 -2.502 -7.211 1.00 41.14 H new ATOM 0 HG23 ILE A 8 11.164 -2.135 -5.673 1.00 41.14 H new ATOM 0 HD11 ILE A 8 12.663 -1.570 -2.225 1.00 13.44 H new ATOM 0 HD12 ILE A 8 11.506 -1.608 -3.577 1.00 13.44 H new ATOM 0 HD13 ILE A 8 12.148 -3.129 -2.912 1.00 13.44 H new ATOM 122 N GLN A 9 11.581 -5.721 -6.631 1.00 21.03 N ATOM 123 CA GLN A 9 11.093 -6.388 -7.823 1.00 50.53 C ATOM 124 C GLN A 9 9.678 -5.869 -8.043 1.00 65.22 C ATOM 125 O GLN A 9 8.778 -6.325 -7.361 1.00 2.15 O ATOM 126 CB GLN A 9 11.138 -7.913 -7.605 1.00 62.04 C ATOM 127 CG GLN A 9 11.931 -8.611 -8.709 1.00 3.33 C ATOM 128 CD GLN A 9 11.887 -10.134 -8.596 1.00 23.22 C ATOM 129 OE1 GLN A 9 11.925 -10.830 -9.604 1.00 12.53 O ATOM 130 NE2 GLN A 9 11.821 -10.699 -7.399 1.00 64.40 N ATOM 0 H GLN A 9 10.995 -5.894 -5.814 1.00 21.03 H new ATOM 0 HA GLN A 9 11.700 -6.184 -8.705 1.00 50.53 H new ATOM 0 HB2 GLN A 9 11.590 -8.131 -6.637 1.00 62.04 H new ATOM 0 HB3 GLN A 9 10.123 -8.308 -7.579 1.00 62.04 H new ATOM 0 HG2 GLN A 9 11.535 -8.312 -9.679 1.00 3.33 H new ATOM 0 HG3 GLN A 9 12.968 -8.278 -8.671 1.00 3.33 H new ATOM 0 HE21 GLN A 9 11.790 -10.117 -6.562 1.00 64.40 H new ATOM 0 HE22 GLN A 9 11.802 -11.715 -7.315 1.00 64.40 H new ATOM 139 N LEU A 10 9.465 -4.876 -8.910 1.00 71.02 N ATOM 140 CA LEU A 10 8.138 -4.263 -9.069 1.00 51.20 C ATOM 141 C LEU A 10 7.152 -5.106 -9.896 1.00 64.41 C ATOM 142 O LEU A 10 5.987 -4.724 -10.002 1.00 54.13 O ATOM 143 CB LEU A 10 8.267 -2.824 -9.618 1.00 70.20 C ATOM 144 CG LEU A 10 8.242 -2.643 -11.152 1.00 62.33 C ATOM 145 CD1 LEU A 10 8.320 -1.148 -11.491 1.00 13.32 C ATOM 146 CD2 LEU A 10 9.382 -3.377 -11.869 1.00 72.31 C ATOM 0 H LEU A 10 10.188 -4.479 -9.511 1.00 71.02 H new ATOM 0 HA LEU A 10 7.700 -4.220 -8.072 1.00 51.20 H new ATOM 0 HB2 LEU A 10 7.458 -2.229 -9.195 1.00 70.20 H new ATOM 0 HB3 LEU A 10 9.201 -2.404 -9.244 1.00 70.20 H new ATOM 0 HG LEU A 10 7.307 -3.079 -11.504 1.00 62.33 H new ATOM 0 HD11 LEU A 10 8.302 -1.019 -12.573 1.00 13.32 H new ATOM 0 HD12 LEU A 10 7.468 -0.630 -11.050 1.00 13.32 H new ATOM 0 HD13 LEU A 10 9.245 -0.732 -11.091 1.00 13.32 H new ATOM 0 HD21 LEU A 10 9.305 -3.208 -12.943 1.00 72.31 H new ATOM 0 HD22 LEU A 10 10.340 -3.000 -11.510 1.00 72.31 H new ATOM 0 HD23 LEU A 10 9.313 -4.445 -11.664 1.00 72.31 H new ATOM 158 N HIS A 11 7.634 -6.170 -10.554 1.00 41.43 N ATOM 159 CA HIS A 11 6.907 -7.031 -11.483 1.00 62.34 C ATOM 160 C HIS A 11 6.038 -6.223 -12.446 1.00 31.14 C ATOM 161 O HIS A 11 4.816 -6.268 -12.349 1.00 21.24 O ATOM 162 CB HIS A 11 6.184 -8.194 -10.777 1.00 52.41 C ATOM 163 CG HIS A 11 7.173 -9.163 -10.200 1.00 23.31 C ATOM 164 ND1 HIS A 11 8.060 -9.910 -10.939 1.00 44.32 N ATOM 165 CD2 HIS A 11 7.431 -9.388 -8.874 1.00 4.14 C ATOM 166 CE1 HIS A 11 8.822 -10.582 -10.070 1.00 3.35 C ATOM 167 NE2 HIS A 11 8.467 -10.324 -8.802 1.00 50.52 N ATOM 0 H HIS A 11 8.603 -6.466 -10.441 1.00 41.43 H new ATOM 0 HA HIS A 11 7.643 -7.526 -12.116 1.00 62.34 H new ATOM 0 HB2 HIS A 11 5.545 -7.804 -9.985 1.00 52.41 H new ATOM 0 HB3 HIS A 11 5.535 -8.708 -11.485 1.00 52.41 H new ATOM 0 HD2 HIS A 11 6.927 -8.927 -8.038 1.00 4.14 H new ATOM 0 HE1 HIS A 11 9.623 -11.249 -10.353 1.00 3.35 H new ATOM 0 HE2 HIS A 11 8.871 -10.729 -7.957 1.00 50.52 H new ATOM 175 N LYS A 12 6.646 -5.488 -13.389 1.00 5.15 N ATOM 176 CA LYS A 12 5.959 -4.563 -14.299 1.00 4.32 C ATOM 177 C LYS A 12 4.711 -5.170 -14.957 1.00 5.14 C ATOM 178 O LYS A 12 3.763 -4.440 -15.247 1.00 43.23 O ATOM 179 CB LYS A 12 6.967 -4.077 -15.364 1.00 32.25 C ATOM 180 CG LYS A 12 7.064 -2.555 -15.505 1.00 51.22 C ATOM 181 CD LYS A 12 5.766 -1.909 -16.018 1.00 53.32 C ATOM 182 CE LYS A 12 5.977 -0.489 -16.557 1.00 72.11 C ATOM 183 NZ LYS A 12 6.673 -0.482 -17.861 1.00 14.24 N ATOM 0 H LYS A 12 7.654 -5.522 -13.543 1.00 5.15 H new ATOM 0 HA LYS A 12 5.595 -3.722 -13.709 1.00 4.32 H new ATOM 0 HB2 LYS A 12 7.954 -4.469 -15.117 1.00 32.25 H new ATOM 0 HB3 LYS A 12 6.688 -4.501 -16.329 1.00 32.25 H new ATOM 0 HG2 LYS A 12 7.319 -2.123 -14.538 1.00 51.22 H new ATOM 0 HG3 LYS A 12 7.878 -2.311 -16.188 1.00 51.22 H new ATOM 0 HD2 LYS A 12 5.343 -2.532 -16.806 1.00 53.32 H new ATOM 0 HD3 LYS A 12 5.036 -1.880 -15.209 1.00 53.32 H new ATOM 0 HE2 LYS A 12 5.011 0.005 -16.661 1.00 72.11 H new ATOM 0 HE3 LYS A 12 6.555 0.089 -15.836 1.00 72.11 H new ATOM 0 HZ1 LYS A 12 6.673 0.483 -18.249 1.00 14.24 H new ATOM 0 HZ2 LYS A 12 7.654 -0.804 -17.733 1.00 14.24 H new ATOM 0 HZ3 LYS A 12 6.183 -1.120 -18.520 1.00 14.24 H new ATOM 197 N ALA A 13 4.706 -6.482 -15.198 1.00 33.54 N ATOM 198 CA ALA A 13 3.585 -7.288 -15.660 1.00 43.02 C ATOM 199 C ALA A 13 2.347 -7.113 -14.779 1.00 70.14 C ATOM 200 O ALA A 13 1.377 -6.483 -15.193 1.00 54.31 O ATOM 201 CB ALA A 13 4.023 -8.756 -15.698 1.00 11.42 C ATOM 0 H ALA A 13 5.546 -7.045 -15.065 1.00 33.54 H new ATOM 0 HA ALA A 13 3.302 -6.955 -16.658 1.00 43.02 H new ATOM 0 HB1 ALA A 13 3.194 -9.374 -16.042 1.00 11.42 H new ATOM 0 HB2 ALA A 13 4.866 -8.867 -16.380 1.00 11.42 H new ATOM 0 HB3 ALA A 13 4.321 -9.073 -14.699 1.00 11.42 H new ATOM 207 N SER A 14 2.388 -7.717 -13.595 1.00 11.03 N ATOM 208 CA SER A 14 1.271 -7.933 -12.682 1.00 4.11 C ATOM 209 C SER A 14 1.259 -6.939 -11.514 1.00 50.21 C ATOM 210 O SER A 14 0.350 -6.971 -10.691 1.00 4.23 O ATOM 211 CB SER A 14 1.387 -9.372 -12.183 1.00 24.35 C ATOM 212 OG SER A 14 0.753 -10.269 -13.089 1.00 52.30 O ATOM 0 H SER A 14 3.260 -8.093 -13.224 1.00 11.03 H new ATOM 0 HA SER A 14 0.329 -7.768 -13.204 1.00 4.11 H new ATOM 0 HB2 SER A 14 2.438 -9.641 -12.072 1.00 24.35 H new ATOM 0 HB3 SER A 14 0.930 -9.459 -11.197 1.00 24.35 H new ATOM 0 HG SER A 14 0.838 -11.186 -12.755 1.00 52.30 H new ATOM 218 N LYS A 15 2.226 -6.018 -11.494 1.00 73.34 N ATOM 219 CA LYS A 15 2.325 -4.859 -10.623 1.00 42.30 C ATOM 220 C LYS A 15 2.425 -5.298 -9.161 1.00 22.03 C ATOM 221 O LYS A 15 1.648 -4.875 -8.301 1.00 44.14 O ATOM 222 CB LYS A 15 1.212 -3.838 -10.951 1.00 50.11 C ATOM 223 CG LYS A 15 0.832 -3.769 -12.447 1.00 11.11 C ATOM 224 CD LYS A 15 0.078 -2.488 -12.780 1.00 72.50 C ATOM 225 CE LYS A 15 -0.699 -2.673 -14.080 1.00 10.35 C ATOM 226 NZ LYS A 15 -1.134 -1.401 -14.694 1.00 72.22 N ATOM 0 H LYS A 15 3.016 -6.073 -12.137 1.00 73.34 H new ATOM 0 HA LYS A 15 3.252 -4.316 -10.808 1.00 42.30 H new ATOM 0 HB2 LYS A 15 0.322 -4.090 -10.374 1.00 50.11 H new ATOM 0 HB3 LYS A 15 1.534 -2.849 -10.624 1.00 50.11 H new ATOM 0 HG2 LYS A 15 1.735 -3.828 -13.055 1.00 11.11 H new ATOM 0 HG3 LYS A 15 0.217 -4.631 -12.706 1.00 11.11 H new ATOM 0 HD2 LYS A 15 -0.605 -2.235 -11.969 1.00 72.50 H new ATOM 0 HD3 LYS A 15 0.777 -1.658 -12.878 1.00 72.50 H new ATOM 0 HE2 LYS A 15 -0.077 -3.216 -14.791 1.00 10.35 H new ATOM 0 HE3 LYS A 15 -1.575 -3.291 -13.885 1.00 10.35 H new ATOM 0 HZ1 LYS A 15 -1.655 -1.600 -15.572 1.00 72.22 H new ATOM 0 HZ2 LYS A 15 -1.753 -0.890 -14.032 1.00 72.22 H new ATOM 0 HZ3 LYS A 15 -0.301 -0.817 -14.910 1.00 72.22 H new ATOM 240 N THR A 16 3.447 -6.084 -8.844 1.00 64.30 N ATOM 241 CA THR A 16 3.612 -6.706 -7.536 1.00 43.43 C ATOM 242 C THR A 16 4.998 -6.338 -7.021 1.00 54.14 C ATOM 243 O THR A 16 5.983 -6.747 -7.625 1.00 11.13 O ATOM 244 CB THR A 16 3.359 -8.219 -7.651 1.00 45.43 C ATOM 245 OG1 THR A 16 2.187 -8.426 -8.418 1.00 50.13 O ATOM 246 CG2 THR A 16 3.163 -8.865 -6.279 1.00 53.22 C ATOM 0 H THR A 16 4.196 -6.311 -9.499 1.00 64.30 H new ATOM 0 HA THR A 16 2.886 -6.344 -6.808 1.00 43.43 H new ATOM 0 HB THR A 16 4.229 -8.675 -8.124 1.00 45.43 H new ATOM 0 HG1 THR A 16 2.015 -9.387 -8.500 1.00 50.13 H new ATOM 0 HG21 THR A 16 2.987 -9.934 -6.402 1.00 53.22 H new ATOM 0 HG22 THR A 16 4.056 -8.712 -5.674 1.00 53.22 H new ATOM 0 HG23 THR A 16 2.306 -8.411 -5.782 1.00 53.22 H new ATOM 254 N LEU A 17 5.086 -5.490 -5.991 1.00 3.22 N ATOM 255 CA LEU A 17 6.360 -5.139 -5.365 1.00 52.51 C ATOM 256 C LEU A 17 6.805 -6.257 -4.428 1.00 52.11 C ATOM 257 O LEU A 17 6.244 -6.422 -3.344 1.00 21.04 O ATOM 258 CB LEU A 17 6.258 -3.814 -4.605 1.00 53.53 C ATOM 259 CG LEU A 17 7.543 -3.478 -3.795 1.00 1.43 C ATOM 260 CD1 LEU A 17 8.871 -3.406 -4.545 1.00 22.24 C ATOM 261 CD2 LEU A 17 7.327 -2.135 -3.114 1.00 53.41 C ATOM 0 H LEU A 17 4.278 -5.030 -5.571 1.00 3.22 H new ATOM 0 HA LEU A 17 7.104 -5.015 -6.152 1.00 52.51 H new ATOM 0 HB2 LEU A 17 6.061 -3.009 -5.313 1.00 53.53 H new ATOM 0 HB3 LEU A 17 5.407 -3.856 -3.925 1.00 53.53 H new ATOM 0 HG LEU A 17 7.660 -4.328 -3.123 1.00 1.43 H new ATOM 0 HD11 LEU A 17 9.671 -3.163 -3.846 1.00 22.24 H new ATOM 0 HD12 LEU A 17 9.078 -4.369 -5.012 1.00 22.24 H new ATOM 0 HD13 LEU A 17 8.814 -2.635 -5.313 1.00 22.24 H new ATOM 0 HD21 LEU A 17 8.214 -1.873 -2.537 1.00 53.41 H new ATOM 0 HD22 LEU A 17 7.145 -1.370 -3.868 1.00 53.41 H new ATOM 0 HD23 LEU A 17 6.467 -2.199 -2.448 1.00 53.41 H new ATOM 273 N THR A 18 7.849 -6.976 -4.815 1.00 33.22 N ATOM 274 CA THR A 18 8.423 -8.055 -4.037 1.00 51.24 C ATOM 275 C THR A 18 9.765 -7.677 -3.456 1.00 70.02 C ATOM 276 O THR A 18 10.594 -7.029 -4.104 1.00 10.12 O ATOM 277 CB THR A 18 8.495 -9.324 -4.902 1.00 2.25 C ATOM 278 OG1 THR A 18 7.228 -9.612 -5.451 1.00 51.24 O ATOM 279 CG2 THR A 18 8.978 -10.535 -4.107 1.00 30.35 C ATOM 0 H THR A 18 8.329 -6.818 -5.701 1.00 33.22 H new ATOM 0 HA THR A 18 7.778 -8.258 -3.182 1.00 51.24 H new ATOM 0 HB THR A 18 9.215 -9.127 -5.697 1.00 2.25 H new ATOM 0 HG1 THR A 18 7.286 -10.421 -6.001 1.00 51.24 H new ATOM 0 HG21 THR A 18 9.013 -11.408 -4.759 1.00 30.35 H new ATOM 0 HG22 THR A 18 9.974 -10.337 -3.712 1.00 30.35 H new ATOM 0 HG23 THR A 18 8.292 -10.726 -3.282 1.00 30.35 H new ATOM 287 N LEU A 19 9.915 -8.095 -2.197 1.00 54.52 N ATOM 288 CA LEU A 19 11.005 -7.794 -1.300 1.00 50.51 C ATOM 289 C LEU A 19 11.553 -9.082 -0.725 1.00 21.05 C ATOM 290 O LEU A 19 11.154 -10.193 -1.083 1.00 52.12 O ATOM 291 CB LEU A 19 10.533 -6.866 -0.164 1.00 30.25 C ATOM 292 CG LEU A 19 10.399 -5.403 -0.565 1.00 14.13 C ATOM 293 CD1 LEU A 19 9.114 -5.164 -1.238 1.00 51.21 C ATOM 294 CD2 LEU A 19 10.505 -4.485 0.660 1.00 4.35 C ATOM 0 H LEU A 19 9.219 -8.697 -1.757 1.00 54.52 H new ATOM 0 HA LEU A 19 11.790 -7.281 -1.856 1.00 50.51 H new ATOM 0 HB2 LEU A 19 9.569 -7.220 0.202 1.00 30.25 H new ATOM 0 HB3 LEU A 19 11.236 -6.940 0.666 1.00 30.25 H new ATOM 0 HG LEU A 19 11.214 -5.176 -1.252 1.00 14.13 H new ATOM 0 HD11 LEU A 19 9.039 -4.113 -1.516 1.00 51.21 H new ATOM 0 HD12 LEU A 19 9.052 -5.782 -2.134 1.00 51.21 H new ATOM 0 HD13 LEU A 19 8.297 -5.420 -0.564 1.00 51.21 H new ATOM 0 HD21 LEU A 19 10.406 -3.446 0.346 1.00 4.35 H new ATOM 0 HD22 LEU A 19 9.711 -4.728 1.366 1.00 4.35 H new ATOM 0 HD23 LEU A 19 11.473 -4.628 1.139 1.00 4.35 H new ATOM 306 N ARG A 20 12.496 -8.887 0.185 1.00 53.41 N ATOM 307 CA ARG A 20 13.008 -9.967 1.043 1.00 61.00 C ATOM 308 C ARG A 20 13.443 -9.545 2.456 1.00 31.01 C ATOM 309 O ARG A 20 14.615 -9.200 2.633 1.00 63.40 O ATOM 310 CB ARG A 20 14.112 -10.719 0.290 1.00 30.43 C ATOM 311 CG ARG A 20 14.423 -12.070 0.952 1.00 13.53 C ATOM 312 CD ARG A 20 15.466 -12.840 0.143 1.00 30.11 C ATOM 313 NE ARG A 20 16.803 -12.246 0.276 1.00 61.43 N ATOM 314 CZ ARG A 20 17.915 -12.644 -0.350 1.00 53.12 C ATOM 315 NH1 ARG A 20 17.909 -13.585 -1.287 1.00 30.11 N ATOM 316 NH2 ARG A 20 19.062 -12.071 -0.029 1.00 2.22 N ATOM 0 H ARG A 20 12.933 -7.981 0.356 1.00 53.41 H new ATOM 0 HA ARG A 20 12.168 -10.632 1.242 1.00 61.00 H new ATOM 0 HB2 ARG A 20 13.804 -10.881 -0.743 1.00 30.43 H new ATOM 0 HB3 ARG A 20 15.015 -10.110 0.262 1.00 30.43 H new ATOM 0 HG2 ARG A 20 14.789 -11.908 1.966 1.00 13.53 H new ATOM 0 HG3 ARG A 20 13.510 -12.660 1.033 1.00 13.53 H new ATOM 0 HD2 ARG A 20 15.493 -13.877 0.478 1.00 30.11 H new ATOM 0 HD3 ARG A 20 15.176 -12.852 -0.908 1.00 30.11 H new ATOM 0 HE ARG A 20 16.892 -11.451 0.909 1.00 61.43 H new ATOM 0 HH11 ARG A 20 17.033 -14.034 -1.554 1.00 30.11 H new ATOM 0 HH12 ARG A 20 18.781 -13.859 -1.740 1.00 30.11 H new ATOM 0 HH21 ARG A 20 19.086 -11.341 0.683 1.00 2.22 H new ATOM 0 HH22 ARG A 20 19.923 -12.359 -0.494 1.00 2.22 H new ATOM 330 N TYR A 21 12.545 -9.485 3.443 1.00 51.52 N ATOM 331 CA TYR A 21 12.825 -9.155 4.839 1.00 43.53 C ATOM 332 C TYR A 21 13.790 -10.189 5.419 1.00 13.23 C ATOM 333 O TYR A 21 13.380 -11.274 5.826 1.00 4.55 O ATOM 334 CB TYR A 21 11.531 -9.062 5.671 1.00 1.35 C ATOM 335 CG TYR A 21 11.665 -8.220 6.937 1.00 34.25 C ATOM 336 CD1 TYR A 21 12.515 -8.599 7.999 1.00 31.33 C ATOM 337 CD2 TYR A 21 10.930 -7.028 7.051 1.00 53.52 C ATOM 338 CE1 TYR A 21 12.680 -7.753 9.118 1.00 45.24 C ATOM 339 CE2 TYR A 21 11.047 -6.213 8.188 1.00 42.51 C ATOM 340 CZ TYR A 21 11.953 -6.542 9.210 1.00 14.52 C ATOM 341 OH TYR A 21 12.137 -5.666 10.241 1.00 71.30 O ATOM 0 H TYR A 21 11.556 -9.675 3.280 1.00 51.52 H new ATOM 0 HA TYR A 21 13.292 -8.171 4.881 1.00 43.53 H new ATOM 0 HB2 TYR A 21 10.741 -8.641 5.049 1.00 1.35 H new ATOM 0 HB3 TYR A 21 11.216 -10.068 5.948 1.00 1.35 H new ATOM 0 HD1 TYR A 21 13.042 -9.541 7.955 1.00 31.33 H new ATOM 0 HD2 TYR A 21 10.265 -6.734 6.252 1.00 53.52 H new ATOM 0 HE1 TYR A 21 13.364 -8.031 9.907 1.00 45.24 H new ATOM 0 HE2 TYR A 21 10.436 -5.327 8.278 1.00 42.51 H new ATOM 0 HH TYR A 21 11.545 -4.894 10.124 1.00 71.30 H new ATOM 351 N GLY A 22 15.079 -9.862 5.473 1.00 1.15 N ATOM 352 CA GLY A 22 16.095 -10.723 6.052 1.00 12.21 C ATOM 353 C GLY A 22 16.444 -11.856 5.120 1.00 2.13 C ATOM 354 O GLY A 22 17.466 -11.825 4.427 1.00 51.44 O ATOM 0 H GLY A 22 15.446 -8.982 5.111 1.00 1.15 H new ATOM 0 HA2 GLY A 22 16.989 -10.139 6.270 1.00 12.21 H new ATOM 0 HA3 GLY A 22 15.738 -11.125 7.000 1.00 12.21 H new ATOM 358 N GLU A 23 15.585 -12.854 5.117 1.00 52.50 N ATOM 359 CA GLU A 23 15.600 -14.019 4.263 1.00 5.51 C ATOM 360 C GLU A 23 14.235 -14.260 3.626 1.00 51.43 C ATOM 361 O GLU A 23 14.152 -14.949 2.611 1.00 63.31 O ATOM 362 CB GLU A 23 16.159 -15.185 5.062 1.00 43.31 C ATOM 363 CG GLU A 23 15.153 -15.714 6.066 1.00 3.23 C ATOM 364 CD GLU A 23 15.579 -17.017 6.750 1.00 50.51 C ATOM 365 OE1 GLU A 23 16.753 -17.438 6.634 1.00 44.43 O ATOM 366 OE2 GLU A 23 14.736 -17.635 7.442 1.00 30.41 O ATOM 0 H GLU A 23 14.797 -12.871 5.764 1.00 52.50 H new ATOM 0 HA GLU A 23 16.258 -13.874 3.406 1.00 5.51 H new ATOM 0 HB2 GLU A 23 16.449 -15.986 4.382 1.00 43.31 H new ATOM 0 HB3 GLU A 23 17.062 -14.868 5.584 1.00 43.31 H new ATOM 0 HG2 GLU A 23 14.983 -14.954 6.829 1.00 3.23 H new ATOM 0 HG3 GLU A 23 14.201 -15.876 5.560 1.00 3.23 H new ATOM 373 N ASP A 24 13.186 -13.673 4.200 1.00 33.02 N ATOM 374 CA ASP A 24 11.811 -14.054 3.872 1.00 42.34 C ATOM 375 C ASP A 24 11.224 -13.138 2.821 1.00 74.03 C ATOM 376 O ASP A 24 11.369 -11.919 2.894 1.00 4.34 O ATOM 377 CB ASP A 24 10.882 -14.001 5.089 1.00 45.30 C ATOM 378 CG ASP A 24 10.200 -15.325 5.422 1.00 72.41 C ATOM 379 OD1 ASP A 24 10.355 -16.324 4.685 1.00 74.24 O ATOM 380 OD2 ASP A 24 9.500 -15.343 6.461 1.00 14.14 O ATOM 0 H ASP A 24 13.261 -12.931 4.895 1.00 33.02 H new ATOM 0 HA ASP A 24 11.874 -15.078 3.504 1.00 42.34 H new ATOM 0 HB2 ASP A 24 11.457 -13.675 5.956 1.00 45.30 H new ATOM 0 HB3 ASP A 24 10.116 -13.246 4.913 1.00 45.30 H new ATOM 385 N SER A 25 10.499 -13.708 1.873 1.00 51.33 N ATOM 386 CA SER A 25 10.199 -13.052 0.610 1.00 2.14 C ATOM 387 C SER A 25 8.696 -12.835 0.444 1.00 1.25 C ATOM 388 O SER A 25 7.917 -13.764 0.224 1.00 50.22 O ATOM 389 CB SER A 25 10.910 -13.756 -0.555 1.00 3.24 C ATOM 390 OG SER A 25 11.572 -14.958 -0.197 1.00 71.14 O ATOM 0 H SER A 25 10.100 -14.643 1.958 1.00 51.33 H new ATOM 0 HA SER A 25 10.612 -12.043 0.609 1.00 2.14 H new ATOM 0 HB2 SER A 25 10.178 -13.976 -1.332 1.00 3.24 H new ATOM 0 HB3 SER A 25 11.638 -13.070 -0.988 1.00 3.24 H new ATOM 0 HG SER A 25 11.997 -15.346 -0.990 1.00 71.14 H new ATOM 396 N TYR A 26 8.301 -11.572 0.609 1.00 52.14 N ATOM 397 CA TYR A 26 6.922 -11.114 0.620 1.00 43.43 C ATOM 398 C TYR A 26 6.687 -10.260 -0.620 1.00 42.51 C ATOM 399 O TYR A 26 7.534 -9.427 -0.969 1.00 72.03 O ATOM 400 CB TYR A 26 6.645 -10.339 1.919 1.00 65.42 C ATOM 401 CG TYR A 26 7.032 -11.072 3.189 1.00 63.30 C ATOM 402 CD1 TYR A 26 6.478 -12.334 3.452 1.00 22.45 C ATOM 403 CD2 TYR A 26 7.962 -10.512 4.088 1.00 12.22 C ATOM 404 CE1 TYR A 26 6.832 -13.039 4.611 1.00 64.02 C ATOM 405 CE2 TYR A 26 8.316 -11.212 5.262 1.00 1.53 C ATOM 406 CZ TYR A 26 7.730 -12.469 5.534 1.00 71.24 C ATOM 407 OH TYR A 26 8.062 -13.151 6.662 1.00 4.35 O ATOM 0 H TYR A 26 8.967 -10.811 0.744 1.00 52.14 H new ATOM 0 HA TYR A 26 6.231 -11.956 0.594 1.00 43.43 H new ATOM 0 HB2 TYR A 26 7.184 -9.392 1.883 1.00 65.42 H new ATOM 0 HB3 TYR A 26 5.583 -10.099 1.963 1.00 65.42 H new ATOM 0 HD1 TYR A 26 5.774 -12.766 2.756 1.00 22.45 H new ATOM 0 HD2 TYR A 26 8.403 -9.549 3.879 1.00 12.22 H new ATOM 0 HE1 TYR A 26 6.416 -14.019 4.796 1.00 64.02 H new ATOM 0 HE2 TYR A 26 9.032 -10.788 5.950 1.00 1.53 H new ATOM 0 HH TYR A 26 8.271 -14.081 6.433 1.00 4.35 H new ATOM 417 N ASP A 27 5.528 -10.429 -1.248 1.00 65.04 N ATOM 418 CA ASP A 27 5.183 -9.937 -2.577 1.00 25.35 C ATOM 419 C ASP A 27 3.890 -9.137 -2.493 1.00 5.51 C ATOM 420 O ASP A 27 2.799 -9.695 -2.407 1.00 31.31 O ATOM 421 CB ASP A 27 5.109 -11.101 -3.582 1.00 13.52 C ATOM 422 CG ASP A 27 3.898 -12.038 -3.476 1.00 10.33 C ATOM 423 OD1 ASP A 27 3.545 -12.497 -2.364 1.00 45.44 O ATOM 424 OD2 ASP A 27 3.326 -12.356 -4.550 1.00 24.35 O ATOM 0 H ASP A 27 4.759 -10.943 -0.818 1.00 65.04 H new ATOM 0 HA ASP A 27 5.961 -9.268 -2.946 1.00 25.35 H new ATOM 0 HB2 ASP A 27 5.125 -10.681 -4.588 1.00 13.52 H new ATOM 0 HB3 ASP A 27 6.012 -11.701 -3.472 1.00 13.52 H new ATOM 429 N LEU A 28 3.997 -7.811 -2.396 1.00 2.41 N ATOM 430 CA LEU A 28 2.823 -7.017 -2.072 1.00 1.44 C ATOM 431 C LEU A 28 2.195 -6.520 -3.376 1.00 70.32 C ATOM 432 O LEU A 28 2.909 -6.068 -4.279 1.00 1.11 O ATOM 433 CB LEU A 28 3.182 -5.831 -1.163 1.00 25.44 C ATOM 434 CG LEU A 28 4.220 -6.080 -0.046 1.00 50.32 C ATOM 435 CD1 LEU A 28 4.016 -5.056 1.061 1.00 21.41 C ATOM 436 CD2 LEU A 28 4.152 -7.457 0.632 1.00 44.14 C ATOM 0 H LEU A 28 4.858 -7.282 -2.533 1.00 2.41 H new ATOM 0 HA LEU A 28 2.112 -7.638 -1.527 1.00 1.44 H new ATOM 0 HB2 LEU A 28 3.553 -5.023 -1.794 1.00 25.44 H new ATOM 0 HB3 LEU A 28 2.264 -5.474 -0.696 1.00 25.44 H new ATOM 0 HG LEU A 28 5.183 -6.010 -0.551 1.00 50.32 H new ATOM 0 HD11 LEU A 28 4.745 -5.226 1.853 1.00 21.41 H new ATOM 0 HD12 LEU A 28 4.147 -4.052 0.657 1.00 21.41 H new ATOM 0 HD13 LEU A 28 3.010 -5.155 1.468 1.00 21.41 H new ATOM 0 HD21 LEU A 28 4.924 -7.524 1.399 1.00 44.14 H new ATOM 0 HD22 LEU A 28 3.172 -7.588 1.091 1.00 44.14 H new ATOM 0 HD23 LEU A 28 4.312 -8.237 -0.112 1.00 44.14 H new ATOM 448 N PRO A 29 0.862 -6.459 -3.468 1.00 53.41 N ATOM 449 CA PRO A 29 0.203 -6.012 -4.687 1.00 65.21 C ATOM 450 C PRO A 29 0.225 -4.491 -4.805 1.00 61.31 C ATOM 451 O PRO A 29 0.228 -3.769 -3.804 1.00 73.13 O ATOM 452 CB PRO A 29 -1.231 -6.512 -4.566 1.00 51.13 C ATOM 453 CG PRO A 29 -1.452 -6.576 -3.061 1.00 1.11 C ATOM 454 CD PRO A 29 -0.099 -7.017 -2.530 1.00 45.44 C ATOM 0 HA PRO A 29 0.705 -6.395 -5.575 1.00 65.21 H new ATOM 0 HB2 PRO A 29 -1.936 -5.834 -5.048 1.00 51.13 H new ATOM 0 HB3 PRO A 29 -1.358 -7.489 -5.033 1.00 51.13 H new ATOM 0 HG2 PRO A 29 -1.748 -5.608 -2.656 1.00 1.11 H new ATOM 0 HG3 PRO A 29 -2.238 -7.285 -2.799 1.00 1.11 H new ATOM 0 HD2 PRO A 29 0.071 -6.645 -1.520 1.00 45.44 H new ATOM 0 HD3 PRO A 29 -0.025 -8.104 -2.486 1.00 45.44 H new ATOM 462 N ALA A 30 0.108 -3.986 -6.032 1.00 45.32 N ATOM 463 CA ALA A 30 -0.058 -2.566 -6.309 1.00 73.43 C ATOM 464 C ALA A 30 -1.428 -2.019 -5.839 1.00 10.55 C ATOM 465 O ALA A 30 -1.687 -0.834 -6.053 1.00 22.34 O ATOM 466 CB ALA A 30 0.127 -2.307 -7.802 1.00 63.00 C ATOM 0 H ALA A 30 0.127 -4.564 -6.873 1.00 45.32 H new ATOM 0 HA ALA A 30 0.705 -2.035 -5.740 1.00 73.43 H new ATOM 0 HB1 ALA A 30 0.002 -1.243 -8.005 1.00 63.00 H new ATOM 0 HB2 ALA A 30 1.127 -2.619 -8.104 1.00 63.00 H new ATOM 0 HB3 ALA A 30 -0.615 -2.873 -8.364 1.00 63.00 H new ATOM 472 N GLU A 31 -2.267 -2.785 -5.129 1.00 2.43 N ATOM 473 CA GLU A 31 -3.368 -2.243 -4.326 1.00 62.34 C ATOM 474 C GLU A 31 -2.934 -1.946 -2.874 1.00 10.14 C ATOM 475 O GLU A 31 -3.327 -0.924 -2.306 1.00 32.04 O ATOM 476 CB GLU A 31 -4.592 -3.182 -4.417 1.00 51.20 C ATOM 477 CG GLU A 31 -4.439 -4.518 -3.659 1.00 73.22 C ATOM 478 CD GLU A 31 -5.267 -5.701 -4.195 1.00 25.04 C ATOM 479 OE1 GLU A 31 -5.671 -5.681 -5.376 1.00 10.25 O ATOM 480 OE2 GLU A 31 -5.440 -6.714 -3.478 1.00 62.22 O ATOM 0 H GLU A 31 -2.200 -3.802 -5.096 1.00 2.43 H new ATOM 0 HA GLU A 31 -3.663 -1.277 -4.737 1.00 62.34 H new ATOM 0 HB2 GLU A 31 -5.465 -2.657 -4.028 1.00 51.20 H new ATOM 0 HB3 GLU A 31 -4.791 -3.397 -5.467 1.00 51.20 H new ATOM 0 HG2 GLU A 31 -3.387 -4.802 -3.673 1.00 73.22 H new ATOM 0 HG3 GLU A 31 -4.711 -4.354 -2.616 1.00 73.22 H new ATOM 487 N PHE A 32 -2.124 -2.813 -2.257 1.00 63.31 N ATOM 488 CA PHE A 32 -1.873 -2.816 -0.812 1.00 74.03 C ATOM 489 C PHE A 32 -1.065 -1.596 -0.350 1.00 50.21 C ATOM 490 O PHE A 32 -1.356 -1.018 0.700 1.00 24.12 O ATOM 491 CB PHE A 32 -1.181 -4.139 -0.443 1.00 31.32 C ATOM 492 CG PHE A 32 -0.632 -4.236 0.968 1.00 63.21 C ATOM 493 CD1 PHE A 32 -1.451 -4.666 2.029 1.00 21.25 C ATOM 494 CD2 PHE A 32 0.716 -3.925 1.224 1.00 43.11 C ATOM 495 CE1 PHE A 32 -0.944 -4.739 3.334 1.00 71.43 C ATOM 496 CE2 PHE A 32 1.214 -3.992 2.536 1.00 4.54 C ATOM 497 CZ PHE A 32 0.383 -4.370 3.595 1.00 32.24 C ATOM 0 H PHE A 32 -1.616 -3.544 -2.756 1.00 63.31 H new ATOM 0 HA PHE A 32 -2.825 -2.741 -0.287 1.00 74.03 H new ATOM 0 HB2 PHE A 32 -1.893 -4.951 -0.590 1.00 31.32 H new ATOM 0 HB3 PHE A 32 -0.361 -4.303 -1.142 1.00 31.32 H new ATOM 0 HD1 PHE A 32 -2.477 -4.942 1.836 1.00 21.25 H new ATOM 0 HD2 PHE A 32 1.367 -3.635 0.413 1.00 43.11 H new ATOM 0 HE1 PHE A 32 -1.577 -5.080 4.140 1.00 71.43 H new ATOM 0 HE2 PHE A 32 2.249 -3.749 2.728 1.00 4.54 H new ATOM 0 HZ PHE A 32 0.761 -4.378 4.607 1.00 32.24 H new ATOM 507 N LEU A 33 -0.046 -1.195 -1.112 1.00 63.33 N ATOM 508 CA LEU A 33 0.803 -0.052 -0.773 1.00 30.34 C ATOM 509 C LEU A 33 -0.004 1.251 -0.802 1.00 50.14 C ATOM 510 O LEU A 33 0.068 2.050 0.123 1.00 1.12 O ATOM 511 CB LEU A 33 2.032 0.025 -1.696 1.00 13.34 C ATOM 512 CG LEU A 33 3.044 -1.114 -1.491 1.00 12.55 C ATOM 513 CD1 LEU A 33 3.064 -2.090 -2.671 1.00 63.20 C ATOM 514 CD2 LEU A 33 4.444 -0.544 -1.306 1.00 70.01 C ATOM 0 H LEU A 33 0.214 -1.655 -1.984 1.00 63.33 H new ATOM 0 HA LEU A 33 1.171 -0.194 0.243 1.00 30.34 H new ATOM 0 HB2 LEU A 33 1.695 0.015 -2.733 1.00 13.34 H new ATOM 0 HB3 LEU A 33 2.536 0.978 -1.533 1.00 13.34 H new ATOM 0 HG LEU A 33 2.732 -1.658 -0.600 1.00 12.55 H new ATOM 0 HD11 LEU A 33 3.794 -2.877 -2.480 1.00 63.20 H new ATOM 0 HD12 LEU A 33 2.076 -2.534 -2.793 1.00 63.20 H new ATOM 0 HD13 LEU A 33 3.337 -1.555 -3.581 1.00 63.20 H new ATOM 0 HD21 LEU A 33 5.153 -1.359 -1.162 1.00 70.01 H new ATOM 0 HD22 LEU A 33 4.724 0.028 -2.191 1.00 70.01 H new ATOM 0 HD23 LEU A 33 4.459 0.108 -0.433 1.00 70.01 H new ATOM 526 N ARG A 34 -0.810 1.464 -1.842 1.00 74.24 N ATOM 527 CA ARG A 34 -1.594 2.675 -2.065 1.00 42.24 C ATOM 528 C ARG A 34 -2.569 2.934 -0.921 1.00 73.11 C ATOM 529 O ARG A 34 -2.751 4.079 -0.529 1.00 21.10 O ATOM 530 CB ARG A 34 -2.309 2.555 -3.424 1.00 2.23 C ATOM 531 CG ARG A 34 -3.346 3.649 -3.722 1.00 53.25 C ATOM 532 CD ARG A 34 -2.762 5.070 -3.750 1.00 42.33 C ATOM 533 NE ARG A 34 -3.784 6.022 -4.200 1.00 1.22 N ATOM 534 CZ ARG A 34 -3.889 7.330 -3.953 1.00 54.22 C ATOM 535 NH1 ARG A 34 -2.982 7.965 -3.224 1.00 44.55 N ATOM 536 NH2 ARG A 34 -4.933 7.966 -4.465 1.00 72.05 N ATOM 0 H ARG A 34 -0.938 0.771 -2.579 1.00 74.24 H new ATOM 0 HA ARG A 34 -0.930 3.539 -2.089 1.00 42.24 H new ATOM 0 HB2 ARG A 34 -1.557 2.566 -4.213 1.00 2.23 H new ATOM 0 HB3 ARG A 34 -2.805 1.586 -3.470 1.00 2.23 H new ATOM 0 HG2 ARG A 34 -3.814 3.440 -4.684 1.00 53.25 H new ATOM 0 HG3 ARG A 34 -4.133 3.605 -2.969 1.00 53.25 H new ATOM 0 HD2 ARG A 34 -2.407 5.346 -2.757 1.00 42.33 H new ATOM 0 HD3 ARG A 34 -1.901 5.105 -4.417 1.00 42.33 H new ATOM 0 HE ARG A 34 -4.520 5.628 -4.786 1.00 1.22 H new ATOM 0 HH11 ARG A 34 -2.187 7.454 -2.841 1.00 44.55 H new ATOM 0 HH12 ARG A 34 -3.079 8.965 -3.046 1.00 44.55 H new ATOM 0 HH21 ARG A 34 -5.618 7.456 -5.023 1.00 72.05 H new ATOM 0 HH22 ARG A 34 -5.052 8.966 -4.301 1.00 72.05 H new ATOM 550 N VAL A 35 -3.238 1.907 -0.397 1.00 34.11 N ATOM 551 CA VAL A 35 -4.178 2.125 0.703 1.00 1.42 C ATOM 552 C VAL A 35 -3.400 2.495 1.969 1.00 13.33 C ATOM 553 O VAL A 35 -3.783 3.460 2.631 1.00 3.31 O ATOM 554 CB VAL A 35 -5.152 0.952 0.845 1.00 24.13 C ATOM 555 CG1 VAL A 35 -6.032 0.912 -0.423 1.00 10.32 C ATOM 556 CG2 VAL A 35 -4.501 -0.415 1.089 1.00 24.30 C ATOM 0 H VAL A 35 -3.151 0.939 -0.706 1.00 34.11 H new ATOM 0 HA VAL A 35 -4.827 2.975 0.491 1.00 1.42 H new ATOM 0 HB VAL A 35 -5.738 1.133 1.746 1.00 24.13 H new ATOM 0 HG11 VAL A 35 -6.738 0.084 -0.350 1.00 10.32 H new ATOM 0 HG12 VAL A 35 -6.581 1.849 -0.515 1.00 10.32 H new ATOM 0 HG13 VAL A 35 -5.400 0.774 -1.300 1.00 10.32 H new ATOM 0 HG21 VAL A 35 -5.276 -1.177 1.175 1.00 24.30 H new ATOM 0 HG22 VAL A 35 -3.843 -0.659 0.255 1.00 24.30 H new ATOM 0 HG23 VAL A 35 -3.921 -0.382 2.011 1.00 24.30 H new ATOM 566 N HIS A 36 -2.272 1.836 2.266 1.00 1.40 N ATOM 567 CA HIS A 36 -1.386 2.256 3.349 1.00 64.01 C ATOM 568 C HIS A 36 -0.357 3.255 2.807 1.00 61.41 C ATOM 569 O HIS A 36 0.852 3.024 2.870 1.00 45.35 O ATOM 570 CB HIS A 36 -0.768 1.054 4.088 1.00 61.01 C ATOM 571 CG HIS A 36 -0.642 1.266 5.582 1.00 10.31 C ATOM 572 ND1 HIS A 36 -0.571 2.483 6.233 1.00 11.30 N ATOM 573 CD2 HIS A 36 -0.538 0.286 6.535 1.00 1.34 C ATOM 574 CE1 HIS A 36 -0.381 2.243 7.537 1.00 13.11 C ATOM 575 NE2 HIS A 36 -0.340 0.920 7.768 1.00 14.33 N ATOM 0 H HIS A 36 -1.954 1.006 1.766 1.00 1.40 H new ATOM 0 HA HIS A 36 -1.965 2.773 4.114 1.00 64.01 H new ATOM 0 HB2 HIS A 36 -1.380 0.171 3.904 1.00 61.01 H new ATOM 0 HB3 HIS A 36 0.219 0.850 3.673 1.00 61.01 H new ATOM 0 HD2 HIS A 36 -0.598 -0.779 6.366 1.00 1.34 H new ATOM 0 HE1 HIS A 36 -0.276 3.005 8.295 1.00 13.11 H new ATOM 0 HE2 HIS A 36 -0.193 0.465 8.669 1.00 14.33 H new ATOM 583 N SER A 37 -0.842 4.373 2.261 1.00 62.44 N ATOM 584 CA SER A 37 -0.016 5.446 1.734 1.00 74.24 C ATOM 585 C SER A 37 -0.230 6.698 2.575 1.00 32.13 C ATOM 586 O SER A 37 -1.069 7.533 2.218 1.00 32.31 O ATOM 587 CB SER A 37 -0.240 5.616 0.227 1.00 23.30 C ATOM 588 OG SER A 37 0.580 6.620 -0.343 1.00 23.23 O ATOM 0 H SER A 37 -1.842 4.555 2.174 1.00 62.44 H new ATOM 0 HA SER A 37 1.044 5.205 1.819 1.00 74.24 H new ATOM 0 HB2 SER A 37 -0.045 4.667 -0.273 1.00 23.30 H new ATOM 0 HB3 SER A 37 -1.286 5.863 0.046 1.00 23.30 H new ATOM 0 HG SER A 37 1.522 6.374 -0.234 1.00 23.23 H new ATOM 594 N PRO A 38 0.507 6.838 3.693 1.00 40.52 N ATOM 595 CA PRO A 38 0.650 8.106 4.376 1.00 33.04 C ATOM 596 C PRO A 38 1.301 9.102 3.417 1.00 24.40 C ATOM 597 O PRO A 38 2.508 9.067 3.150 1.00 40.43 O ATOM 598 CB PRO A 38 1.479 7.835 5.636 1.00 0.10 C ATOM 599 CG PRO A 38 2.236 6.555 5.333 1.00 74.01 C ATOM 600 CD PRO A 38 1.359 5.832 4.317 1.00 12.54 C ATOM 0 HA PRO A 38 -0.300 8.545 4.679 1.00 33.04 H new ATOM 0 HB2 PRO A 38 2.162 8.658 5.845 1.00 0.10 H new ATOM 0 HB3 PRO A 38 0.841 7.720 6.512 1.00 0.10 H new ATOM 0 HG2 PRO A 38 3.226 6.764 4.927 1.00 74.01 H new ATOM 0 HG3 PRO A 38 2.381 5.956 6.232 1.00 74.01 H new ATOM 0 HD2 PRO A 38 1.971 5.328 3.569 1.00 12.54 H new ATOM 0 HD3 PRO A 38 0.756 5.066 4.805 1.00 12.54 H new ATOM 608 N SER A 39 0.491 10.006 2.871 1.00 21.32 N ATOM 609 CA SER A 39 1.007 11.246 2.362 1.00 11.53 C ATOM 610 C SER A 39 1.685 11.967 3.538 1.00 55.45 C ATOM 611 O SER A 39 1.298 11.802 4.700 1.00 24.02 O ATOM 612 CB SER A 39 -0.122 12.021 1.687 1.00 74.12 C ATOM 613 OG SER A 39 -0.666 11.246 0.621 1.00 34.40 O ATOM 0 H SER A 39 -0.518 9.892 2.776 1.00 21.32 H new ATOM 0 HA SER A 39 1.761 11.116 1.586 1.00 11.53 H new ATOM 0 HB2 SER A 39 -0.900 12.255 2.413 1.00 74.12 H new ATOM 0 HB3 SER A 39 0.253 12.970 1.305 1.00 74.12 H new ATOM 0 HG SER A 39 0.027 11.083 -0.052 1.00 34.40 H new ATOM 619 N ALA A 40 2.724 12.745 3.247 1.00 15.52 N ATOM 620 CA ALA A 40 3.521 13.399 4.285 1.00 2.20 C ATOM 621 C ALA A 40 2.680 14.416 5.060 1.00 40.11 C ATOM 622 O ALA A 40 2.842 14.605 6.265 1.00 3.34 O ATOM 623 CB ALA A 40 4.703 14.113 3.630 1.00 43.45 C ATOM 0 H ALA A 40 3.036 12.940 2.296 1.00 15.52 H new ATOM 0 HA ALA A 40 3.876 12.642 4.984 1.00 2.20 H new ATOM 0 HB1 ALA A 40 5.302 14.603 4.397 1.00 43.45 H new ATOM 0 HB2 ALA A 40 5.318 13.387 3.098 1.00 43.45 H new ATOM 0 HB3 ALA A 40 4.333 14.859 2.927 1.00 43.45 H new ATOM 629 N GLU A 41 1.745 15.039 4.349 1.00 74.15 N ATOM 630 CA GLU A 41 1.102 16.315 4.655 1.00 44.11 C ATOM 631 C GLU A 41 -0.078 16.145 5.618 1.00 3.53 C ATOM 632 O GLU A 41 -0.909 17.034 5.805 1.00 41.14 O ATOM 633 CB GLU A 41 0.654 16.949 3.324 1.00 32.04 C ATOM 634 CG GLU A 41 1.767 16.940 2.255 1.00 24.20 C ATOM 635 CD GLU A 41 1.382 17.517 0.896 1.00 63.43 C ATOM 636 OE1 GLU A 41 0.166 17.636 0.602 1.00 55.54 O ATOM 637 OE2 GLU A 41 2.327 17.724 0.099 1.00 24.21 O ATOM 0 H GLU A 41 1.391 14.637 3.481 1.00 74.15 H new ATOM 0 HA GLU A 41 1.811 16.969 5.163 1.00 44.11 H new ATOM 0 HB2 GLU A 41 -0.214 16.410 2.944 1.00 32.04 H new ATOM 0 HB3 GLU A 41 0.337 17.976 3.504 1.00 32.04 H new ATOM 0 HG2 GLU A 41 2.619 17.501 2.639 1.00 24.20 H new ATOM 0 HG3 GLU A 41 2.100 15.912 2.112 1.00 24.20 H new ATOM 644 N VAL A 42 -0.120 14.980 6.241 1.00 23.23 N ATOM 645 CA VAL A 42 -1.188 14.411 7.048 1.00 1.20 C ATOM 646 C VAL A 42 -0.882 14.614 8.544 1.00 71.11 C ATOM 647 O VAL A 42 -1.677 14.260 9.414 1.00 13.31 O ATOM 648 CB VAL A 42 -1.310 12.938 6.602 1.00 41.35 C ATOM 649 CG1 VAL A 42 -2.392 12.142 7.326 1.00 52.22 C ATOM 650 CG2 VAL A 42 -1.633 12.847 5.098 1.00 62.25 C ATOM 0 H VAL A 42 0.675 14.343 6.189 1.00 23.23 H new ATOM 0 HA VAL A 42 -2.152 14.898 6.904 1.00 1.20 H new ATOM 0 HB VAL A 42 -0.340 12.506 6.848 1.00 41.35 H new ATOM 0 HG11 VAL A 42 -2.405 11.119 6.949 1.00 52.22 H new ATOM 0 HG12 VAL A 42 -2.182 12.131 8.395 1.00 52.22 H new ATOM 0 HG13 VAL A 42 -3.363 12.606 7.152 1.00 52.22 H new ATOM 0 HG21 VAL A 42 -1.714 11.800 4.806 1.00 62.25 H new ATOM 0 HG22 VAL A 42 -2.577 13.354 4.897 1.00 62.25 H new ATOM 0 HG23 VAL A 42 -0.837 13.322 4.525 1.00 62.25 H new ATOM 660 N GLN A 43 0.252 15.253 8.860 1.00 15.11 N ATOM 661 CA GLN A 43 0.621 15.654 10.216 1.00 61.43 C ATOM 662 C GLN A 43 0.750 14.414 11.118 1.00 11.31 C ATOM 663 O GLN A 43 0.424 14.446 12.313 1.00 60.22 O ATOM 664 CB GLN A 43 -0.358 16.725 10.753 1.00 74.35 C ATOM 665 CG GLN A 43 -0.798 17.782 9.721 1.00 20.43 C ATOM 666 CD GLN A 43 0.384 18.515 9.091 1.00 73.31 C ATOM 667 OE1 GLN A 43 1.231 19.068 9.778 1.00 44.42 O ATOM 668 NE2 GLN A 43 0.511 18.495 7.776 1.00 64.41 N ATOM 0 H GLN A 43 0.951 15.509 8.162 1.00 15.11 H new ATOM 0 HA GLN A 43 1.602 16.129 10.209 1.00 61.43 H new ATOM 0 HB2 GLN A 43 -1.246 16.223 11.138 1.00 74.35 H new ATOM 0 HB3 GLN A 43 0.111 17.234 11.595 1.00 74.35 H new ATOM 0 HG2 GLN A 43 -1.381 17.298 8.937 1.00 20.43 H new ATOM 0 HG3 GLN A 43 -1.454 18.506 10.205 1.00 20.43 H new ATOM 0 HE21 GLN A 43 -0.195 18.034 7.202 1.00 64.41 H new ATOM 0 HE22 GLN A 43 1.315 18.941 7.334 1.00 64.41 H new ATOM 677 N GLY A 44 1.221 13.308 10.537 1.00 0.40 N ATOM 678 CA GLY A 44 1.381 12.033 11.202 1.00 75.14 C ATOM 679 C GLY A 44 0.032 11.395 11.470 1.00 61.23 C ATOM 680 O GLY A 44 -0.315 11.221 12.636 1.00 32.23 O ATOM 0 H GLY A 44 1.508 13.285 9.558 1.00 0.40 H new ATOM 0 HA2 GLY A 44 1.987 11.369 10.585 1.00 75.14 H new ATOM 0 HA3 GLY A 44 1.916 12.172 12.141 1.00 75.14 H new ATOM 684 N HIS A 45 -0.681 11.014 10.400 1.00 11.53 N ATOM 685 CA HIS A 45 -1.772 10.030 10.417 1.00 64.41 C ATOM 686 C HIS A 45 -2.755 10.215 11.587 1.00 34.12 C ATOM 687 O HIS A 45 -3.163 9.245 12.237 1.00 75.03 O ATOM 688 CB HIS A 45 -1.182 8.608 10.284 1.00 24.04 C ATOM 689 CG HIS A 45 0.061 8.338 11.106 1.00 61.15 C ATOM 690 ND1 HIS A 45 1.330 8.635 10.698 1.00 71.13 N flip ATOM 691 CD2 HIS A 45 0.146 7.884 12.404 1.00 40.54 C flip ATOM 692 CE1 HIS A 45 2.207 8.373 11.754 1.00 31.20 C flip ATOM 693 NE2 HIS A 45 1.443 7.924 12.762 1.00 53.15 N flip ATOM 0 H HIS A 45 -0.508 11.395 9.470 1.00 11.53 H new ATOM 0 HA HIS A 45 -2.409 10.201 9.549 1.00 64.41 H new ATOM 0 HB2 HIS A 45 -1.949 7.887 10.569 1.00 24.04 H new ATOM 0 HB3 HIS A 45 -0.949 8.427 9.235 1.00 24.04 H new ATOM 0 HD2 HIS A 45 -0.677 7.556 13.021 1.00 40.54 H new ATOM 0 HE1 HIS A 45 3.279 8.505 11.758 1.00 31.20 H new ATOM 0 HE2 HIS A 45 1.798 7.649 13.678 1.00 53.15 H new ATOM 701 N GLY A 46 -3.133 11.463 11.879 1.00 13.14 N ATOM 702 CA GLY A 46 -3.846 11.807 13.103 1.00 2.41 C ATOM 703 C GLY A 46 -5.265 11.249 13.155 1.00 35.23 C ATOM 704 O GLY A 46 -5.782 11.005 14.246 1.00 71.32 O ATOM 0 H GLY A 46 -2.951 12.261 11.270 1.00 13.14 H new ATOM 0 HA2 GLY A 46 -3.285 11.433 13.959 1.00 2.41 H new ATOM 0 HA3 GLY A 46 -3.887 12.892 13.198 1.00 2.41 H new ATOM 708 N ASN A 47 -5.909 11.056 12.004 1.00 1.20 N ATOM 709 CA ASN A 47 -7.285 10.605 11.853 1.00 33.04 C ATOM 710 C ASN A 47 -7.416 9.588 10.713 1.00 0.22 C ATOM 711 O ASN A 47 -6.568 9.573 9.820 1.00 1.21 O ATOM 712 CB ASN A 47 -8.196 11.823 11.648 1.00 71.33 C ATOM 713 CG ASN A 47 -7.730 12.911 10.688 1.00 23.42 C ATOM 714 OD1 ASN A 47 -7.023 12.685 9.708 1.00 74.32 O ATOM 715 ND2 ASN A 47 -8.111 14.141 10.982 1.00 74.42 N ATOM 0 H ASN A 47 -5.456 11.220 11.105 1.00 1.20 H new ATOM 0 HA ASN A 47 -7.597 10.088 12.761 1.00 33.04 H new ATOM 0 HB2 ASN A 47 -9.163 11.462 11.299 1.00 71.33 H new ATOM 0 HB3 ASN A 47 -8.361 12.285 12.622 1.00 71.33 H new ATOM 0 HD21 ASN A 47 -7.819 14.920 10.392 1.00 74.42 H new ATOM 0 HD22 ASN A 47 -8.698 14.312 11.799 1.00 74.42 H new ATOM 722 N PRO A 48 -8.439 8.715 10.734 1.00 60.24 N ATOM 723 CA PRO A 48 -8.562 7.646 9.760 1.00 34.31 C ATOM 724 C PRO A 48 -8.882 8.236 8.386 1.00 43.32 C ATOM 725 O PRO A 48 -9.643 9.206 8.268 1.00 3.42 O ATOM 726 CB PRO A 48 -9.663 6.727 10.302 1.00 33.42 C ATOM 727 CG PRO A 48 -10.537 7.652 11.137 1.00 31.22 C ATOM 728 CD PRO A 48 -9.532 8.655 11.689 1.00 12.52 C ATOM 0 HA PRO A 48 -7.643 7.076 9.623 1.00 34.31 H new ATOM 0 HB2 PRO A 48 -10.230 6.264 9.494 1.00 33.42 H new ATOM 0 HB3 PRO A 48 -9.248 5.919 10.904 1.00 33.42 H new ATOM 0 HG2 PRO A 48 -11.304 8.138 10.534 1.00 31.22 H new ATOM 0 HG3 PRO A 48 -11.051 7.114 11.933 1.00 31.22 H new ATOM 0 HD2 PRO A 48 -9.992 9.635 11.814 1.00 12.52 H new ATOM 0 HD3 PRO A 48 -9.173 8.344 12.670 1.00 12.52 H new ATOM 736 N VAL A 49 -8.300 7.640 7.349 1.00 22.12 N ATOM 737 CA VAL A 49 -8.474 8.005 5.963 1.00 61.24 C ATOM 738 C VAL A 49 -8.613 6.695 5.198 1.00 42.11 C ATOM 739 O VAL A 49 -7.698 5.868 5.126 1.00 33.43 O ATOM 740 CB VAL A 49 -7.299 8.836 5.424 1.00 15.52 C ATOM 741 CG1 VAL A 49 -7.728 9.578 4.157 1.00 61.04 C ATOM 742 CG2 VAL A 49 -6.728 9.857 6.423 1.00 24.01 C ATOM 0 H VAL A 49 -7.664 6.851 7.468 1.00 22.12 H new ATOM 0 HA VAL A 49 -9.353 8.638 5.844 1.00 61.24 H new ATOM 0 HB VAL A 49 -6.504 8.119 5.221 1.00 15.52 H new ATOM 0 HG11 VAL A 49 -6.892 10.166 3.779 1.00 61.04 H new ATOM 0 HG12 VAL A 49 -8.037 8.857 3.400 1.00 61.04 H new ATOM 0 HG13 VAL A 49 -8.562 10.241 4.388 1.00 61.04 H new ATOM 0 HG21 VAL A 49 -5.903 10.398 5.959 1.00 24.01 H new ATOM 0 HG22 VAL A 49 -7.509 10.562 6.710 1.00 24.01 H new ATOM 0 HG23 VAL A 49 -6.367 9.336 7.309 1.00 24.01 H new ATOM 752 N LEU A 50 -9.791 6.514 4.634 1.00 0.52 N ATOM 753 CA LEU A 50 -10.150 5.430 3.763 1.00 31.22 C ATOM 754 C LEU A 50 -9.605 5.747 2.383 1.00 31.33 C ATOM 755 O LEU A 50 -9.452 6.916 2.033 1.00 62.12 O ATOM 756 CB LEU A 50 -11.686 5.376 3.741 1.00 10.30 C ATOM 757 CG LEU A 50 -12.280 3.976 3.781 1.00 24.21 C ATOM 758 CD1 LEU A 50 -11.848 3.086 2.638 1.00 3.31 C ATOM 759 CD2 LEU A 50 -12.018 3.260 5.105 1.00 13.31 C ATOM 0 H LEU A 50 -10.564 7.162 4.785 1.00 0.52 H new ATOM 0 HA LEU A 50 -9.747 4.472 4.091 1.00 31.22 H new ATOM 0 HB2 LEU A 50 -12.067 5.941 4.592 1.00 10.30 H new ATOM 0 HB3 LEU A 50 -12.040 5.879 2.841 1.00 10.30 H new ATOM 0 HG LEU A 50 -13.351 4.149 3.675 1.00 24.21 H new ATOM 0 HD11 LEU A 50 -12.316 2.107 2.742 1.00 3.31 H new ATOM 0 HD12 LEU A 50 -12.152 3.535 1.692 1.00 3.31 H new ATOM 0 HD13 LEU A 50 -10.764 2.973 2.654 1.00 3.31 H new ATOM 0 HD21 LEU A 50 -12.465 2.266 5.076 1.00 13.31 H new ATOM 0 HD22 LEU A 50 -10.943 3.170 5.264 1.00 13.31 H new ATOM 0 HD23 LEU A 50 -12.459 3.832 5.921 1.00 13.31 H new ATOM 771 N GLN A 51 -9.329 4.715 1.597 1.00 45.13 N ATOM 772 CA GLN A 51 -8.838 4.805 0.234 1.00 14.54 C ATOM 773 C GLN A 51 -9.641 3.736 -0.520 1.00 71.03 C ATOM 774 O GLN A 51 -9.460 2.550 -0.240 1.00 42.24 O ATOM 775 CB GLN A 51 -7.313 4.545 0.235 1.00 25.23 C ATOM 776 CG GLN A 51 -6.467 5.397 1.213 1.00 44.35 C ATOM 777 CD GLN A 51 -6.197 6.825 0.742 1.00 1.30 C ATOM 778 OE1 GLN A 51 -5.332 7.071 -0.096 1.00 50.35 O ATOM 779 NE2 GLN A 51 -6.904 7.796 1.290 1.00 4.22 N ATOM 0 H GLN A 51 -9.447 3.751 1.909 1.00 45.13 H new ATOM 0 HA GLN A 51 -8.969 5.779 -0.237 1.00 14.54 H new ATOM 0 HB2 GLN A 51 -7.147 3.493 0.467 1.00 25.23 H new ATOM 0 HB3 GLN A 51 -6.938 4.712 -0.775 1.00 25.23 H new ATOM 0 HG2 GLN A 51 -6.978 5.436 2.175 1.00 44.35 H new ATOM 0 HG3 GLN A 51 -5.513 4.896 1.379 1.00 44.35 H new ATOM 0 HE21 GLN A 51 -7.619 7.577 1.984 1.00 4.22 H new ATOM 0 HE22 GLN A 51 -6.736 8.765 1.019 1.00 4.22 H new ATOM 788 N TYR A 52 -10.603 4.111 -1.374 1.00 3.24 N ATOM 789 CA TYR A 52 -11.496 3.196 -2.103 1.00 41.43 C ATOM 790 C TYR A 52 -11.505 3.538 -3.600 1.00 62.45 C ATOM 791 O TYR A 52 -10.725 4.383 -4.032 1.00 54.23 O ATOM 792 CB TYR A 52 -12.907 3.168 -1.493 1.00 34.40 C ATOM 793 CG TYR A 52 -13.621 4.501 -1.510 1.00 62.25 C ATOM 794 CD1 TYR A 52 -13.449 5.431 -0.469 1.00 70.25 C ATOM 795 CD2 TYR A 52 -14.468 4.807 -2.595 1.00 24.42 C ATOM 796 CE1 TYR A 52 -14.121 6.664 -0.518 1.00 5.34 C ATOM 797 CE2 TYR A 52 -15.122 6.044 -2.656 1.00 25.31 C ATOM 798 CZ TYR A 52 -14.933 6.986 -1.624 1.00 52.05 C ATOM 799 OH TYR A 52 -15.519 8.208 -1.715 1.00 45.13 O ATOM 0 H TYR A 52 -10.788 5.092 -1.584 1.00 3.24 H new ATOM 0 HA TYR A 52 -11.107 2.183 -2.001 1.00 41.43 H new ATOM 0 HB2 TYR A 52 -13.510 2.440 -2.035 1.00 34.40 H new ATOM 0 HB3 TYR A 52 -12.837 2.820 -0.462 1.00 34.40 H new ATOM 0 HD1 TYR A 52 -12.803 5.198 0.365 1.00 70.25 H new ATOM 0 HD2 TYR A 52 -14.613 4.083 -3.383 1.00 24.42 H new ATOM 0 HE1 TYR A 52 -14.015 7.367 0.295 1.00 5.34 H new ATOM 0 HE2 TYR A 52 -15.768 6.275 -3.490 1.00 25.31 H new ATOM 0 HH TYR A 52 -16.042 8.259 -2.542 1.00 45.13 H new ATOM 809 N GLY A 53 -12.323 2.832 -4.396 1.00 73.41 N ATOM 810 CA GLY A 53 -12.310 2.944 -5.855 1.00 14.30 C ATOM 811 C GLY A 53 -10.950 2.483 -6.367 1.00 33.21 C ATOM 812 O GLY A 53 -10.156 3.286 -6.852 1.00 23.14 O ATOM 0 H GLY A 53 -13.011 2.168 -4.042 1.00 73.41 H new ATOM 0 HA2 GLY A 53 -13.103 2.335 -6.288 1.00 14.30 H new ATOM 0 HA3 GLY A 53 -12.498 3.974 -6.157 1.00 14.30 H new ATOM 816 N LYS A 54 -10.639 1.203 -6.124 1.00 53.44 N ATOM 817 CA LYS A 54 -9.296 0.636 -6.250 1.00 52.05 C ATOM 818 C LYS A 54 -9.285 -0.883 -6.469 1.00 53.23 C ATOM 819 O LYS A 54 -8.378 -1.569 -5.990 1.00 1.02 O ATOM 820 CB LYS A 54 -8.345 1.157 -5.143 1.00 45.34 C ATOM 821 CG LYS A 54 -8.305 0.427 -3.792 1.00 34.42 C ATOM 822 CD LYS A 54 -9.657 -0.110 -3.341 1.00 62.12 C ATOM 823 CE LYS A 54 -9.816 -0.066 -1.817 1.00 72.05 C ATOM 824 NZ LYS A 54 -8.737 -0.723 -1.051 1.00 70.03 N ATOM 0 H LYS A 54 -11.334 0.518 -5.827 1.00 53.44 H new ATOM 0 HA LYS A 54 -8.875 1.013 -7.182 1.00 52.05 H new ATOM 0 HB2 LYS A 54 -7.334 1.153 -5.549 1.00 45.34 H new ATOM 0 HB3 LYS A 54 -8.606 2.197 -4.948 1.00 45.34 H new ATOM 0 HG2 LYS A 54 -7.600 -0.401 -3.858 1.00 34.42 H new ATOM 0 HG3 LYS A 54 -7.924 1.110 -3.032 1.00 34.42 H new ATOM 0 HD2 LYS A 54 -10.452 0.474 -3.805 1.00 62.12 H new ATOM 0 HD3 LYS A 54 -9.773 -1.137 -3.688 1.00 62.12 H new ATOM 0 HE2 LYS A 54 -9.878 0.976 -1.505 1.00 72.05 H new ATOM 0 HE3 LYS A 54 -10.764 -0.535 -1.553 1.00 72.05 H new ATOM 0 HZ1 LYS A 54 -8.545 -0.179 -0.185 1.00 70.03 H new ATOM 0 HZ2 LYS A 54 -9.030 -1.688 -0.796 1.00 70.03 H new ATOM 0 HZ3 LYS A 54 -7.875 -0.765 -1.632 1.00 70.03 H new ATOM 838 N LEU A 55 -10.306 -1.476 -7.096 1.00 45.25 N ATOM 839 CA LEU A 55 -10.261 -2.910 -7.399 1.00 64.24 C ATOM 840 C LEU A 55 -9.250 -3.180 -8.519 1.00 10.22 C ATOM 841 O LEU A 55 -8.559 -4.188 -8.482 1.00 53.22 O ATOM 842 CB LEU A 55 -11.655 -3.501 -7.692 1.00 1.04 C ATOM 843 CG LEU A 55 -11.625 -5.033 -7.914 1.00 23.10 C ATOM 844 CD1 LEU A 55 -10.954 -5.820 -6.779 1.00 5.23 C ATOM 845 CD2 LEU A 55 -13.055 -5.554 -8.002 1.00 12.41 C ATOM 0 H LEU A 55 -11.155 -0.999 -7.398 1.00 45.25 H new ATOM 0 HA LEU A 55 -9.917 -3.433 -6.507 1.00 64.24 H new ATOM 0 HB2 LEU A 55 -12.323 -3.272 -6.862 1.00 1.04 H new ATOM 0 HB3 LEU A 55 -12.070 -3.019 -8.577 1.00 1.04 H new ATOM 0 HG LEU A 55 -11.049 -5.183 -8.827 1.00 23.10 H new ATOM 0 HD11 LEU A 55 -10.975 -6.884 -7.013 1.00 5.23 H new ATOM 0 HD12 LEU A 55 -9.920 -5.492 -6.671 1.00 5.23 H new ATOM 0 HD13 LEU A 55 -11.490 -5.643 -5.847 1.00 5.23 H new ATOM 0 HD21 LEU A 55 -13.040 -6.633 -8.158 1.00 12.41 H new ATOM 0 HD22 LEU A 55 -13.582 -5.329 -7.075 1.00 12.41 H new ATOM 0 HD23 LEU A 55 -13.567 -5.073 -8.836 1.00 12.41 H new ATOM 857 N ASN A 56 -9.110 -2.245 -9.459 1.00 2.42 N ATOM 858 CA ASN A 56 -8.361 -2.397 -10.714 1.00 5.11 C ATOM 859 C ASN A 56 -7.120 -1.492 -10.781 1.00 22.34 C ATOM 860 O ASN A 56 -6.491 -1.366 -11.834 1.00 54.23 O ATOM 861 CB ASN A 56 -9.313 -2.193 -11.910 1.00 74.14 C ATOM 862 CG ASN A 56 -10.267 -1.028 -11.709 1.00 65.15 C ATOM 863 OD1 ASN A 56 -9.857 0.121 -11.616 1.00 42.13 O ATOM 864 ND2 ASN A 56 -11.544 -1.299 -11.489 1.00 61.15 N ATOM 0 H ASN A 56 -9.532 -1.321 -9.366 1.00 2.42 H new ATOM 0 HA ASN A 56 -7.967 -3.412 -10.757 1.00 5.11 H new ATOM 0 HB2 ASN A 56 -8.725 -2.024 -12.812 1.00 74.14 H new ATOM 0 HB3 ASN A 56 -9.888 -3.105 -12.071 1.00 74.14 H new ATOM 0 HD21 ASN A 56 -12.189 -0.549 -11.241 1.00 61.15 H new ATOM 0 HD22 ASN A 56 -11.883 -2.258 -11.567 1.00 61.15 H new ATOM 871 N VAL A 57 -6.733 -0.887 -9.657 1.00 45.42 N ATOM 872 CA VAL A 57 -5.529 -0.071 -9.497 1.00 30.34 C ATOM 873 C VAL A 57 -4.266 -0.820 -9.914 1.00 43.15 C ATOM 874 O VAL A 57 -4.181 -2.051 -9.855 1.00 21.43 O ATOM 875 CB VAL A 57 -5.488 0.427 -8.037 1.00 72.11 C ATOM 876 CG1 VAL A 57 -5.315 -0.709 -7.017 1.00 65.22 C ATOM 877 CG2 VAL A 57 -4.401 1.479 -7.802 1.00 12.02 C ATOM 0 H VAL A 57 -7.274 -0.956 -8.795 1.00 45.42 H new ATOM 0 HA VAL A 57 -5.566 0.789 -10.165 1.00 30.34 H new ATOM 0 HB VAL A 57 -6.464 0.886 -7.879 1.00 72.11 H new ATOM 0 HG11 VAL A 57 -5.294 -0.293 -6.010 1.00 65.22 H new ATOM 0 HG12 VAL A 57 -6.148 -1.406 -7.104 1.00 65.22 H new ATOM 0 HG13 VAL A 57 -4.380 -1.234 -7.213 1.00 65.22 H new ATOM 0 HG21 VAL A 57 -4.418 1.793 -6.758 1.00 12.02 H new ATOM 0 HG22 VAL A 57 -3.426 1.053 -8.037 1.00 12.02 H new ATOM 0 HG23 VAL A 57 -4.584 2.341 -8.443 1.00 12.02 H new ATOM 887 N GLY A 58 -3.258 -0.063 -10.336 1.00 41.03 N ATOM 888 CA GLY A 58 -1.944 -0.546 -10.643 1.00 22.52 C ATOM 889 C GLY A 58 -0.843 0.442 -10.265 1.00 12.12 C ATOM 890 O GLY A 58 -1.030 1.374 -9.480 1.00 4.12 O ATOM 0 H GLY A 58 -3.353 0.943 -10.474 1.00 41.03 H new ATOM 0 HA2 GLY A 58 -1.777 -1.487 -10.118 1.00 22.52 H new ATOM 0 HA3 GLY A 58 -1.882 -0.761 -11.710 1.00 22.52 H new ATOM 894 N LEU A 59 0.351 0.197 -10.801 1.00 70.24 N ATOM 895 CA LEU A 59 1.577 0.916 -10.503 1.00 10.01 C ATOM 896 C LEU A 59 2.331 1.199 -11.778 1.00 53.14 C ATOM 897 O LEU A 59 2.126 0.563 -12.815 1.00 22.40 O ATOM 898 CB LEU A 59 2.442 0.100 -9.528 1.00 51.24 C ATOM 899 CG LEU A 59 2.986 0.987 -8.401 1.00 23.11 C ATOM 900 CD1 LEU A 59 2.819 0.380 -7.031 1.00 3.51 C ATOM 901 CD2 LEU A 59 4.455 1.338 -8.611 1.00 31.40 C ATOM 0 H LEU A 59 0.491 -0.545 -11.487 1.00 70.24 H new ATOM 0 HA LEU A 59 1.329 1.867 -10.030 1.00 10.01 H new ATOM 0 HB2 LEU A 59 1.851 -0.712 -9.104 1.00 51.24 H new ATOM 0 HB3 LEU A 59 3.271 -0.358 -10.068 1.00 51.24 H new ATOM 0 HG LEU A 59 2.384 1.895 -8.445 1.00 23.11 H new ATOM 0 HD11 LEU A 59 3.224 1.059 -6.281 1.00 3.51 H new ATOM 0 HD12 LEU A 59 1.760 0.212 -6.834 1.00 3.51 H new ATOM 0 HD13 LEU A 59 3.351 -0.570 -6.987 1.00 3.51 H new ATOM 0 HD21 LEU A 59 4.800 1.967 -7.790 1.00 31.40 H new ATOM 0 HD22 LEU A 59 5.047 0.423 -8.640 1.00 31.40 H new ATOM 0 HD23 LEU A 59 4.570 1.875 -9.553 1.00 31.40 H new ATOM 913 N VAL A 60 3.200 2.188 -11.664 1.00 12.11 N ATOM 914 CA VAL A 60 3.786 2.921 -12.762 1.00 32.32 C ATOM 915 C VAL A 60 5.281 3.049 -12.558 1.00 3.10 C ATOM 916 O VAL A 60 6.023 2.785 -13.507 1.00 2.34 O ATOM 917 CB VAL A 60 3.073 4.276 -12.923 1.00 22.11 C ATOM 918 CG1 VAL A 60 1.838 4.087 -13.799 1.00 22.32 C ATOM 919 CG2 VAL A 60 2.665 4.897 -11.585 1.00 5.34 C ATOM 0 H VAL A 60 3.530 2.514 -10.756 1.00 12.11 H new ATOM 0 HA VAL A 60 3.646 2.380 -13.698 1.00 32.32 H new ATOM 0 HB VAL A 60 3.778 4.964 -13.389 1.00 22.11 H new ATOM 0 HG11 VAL A 60 1.327 5.042 -13.918 1.00 22.32 H new ATOM 0 HG12 VAL A 60 2.140 3.712 -14.777 1.00 22.32 H new ATOM 0 HG13 VAL A 60 1.164 3.371 -13.328 1.00 22.32 H new ATOM 0 HG21 VAL A 60 2.167 5.850 -11.763 1.00 5.34 H new ATOM 0 HG22 VAL A 60 1.984 4.224 -11.064 1.00 5.34 H new ATOM 0 HG23 VAL A 60 3.553 5.060 -10.974 1.00 5.34 H new ATOM 929 N GLY A 61 5.723 3.334 -11.334 1.00 50.32 N ATOM 930 CA GLY A 61 7.143 3.412 -11.035 1.00 25.03 C ATOM 931 C GLY A 61 7.407 3.491 -9.538 1.00 45.33 C ATOM 932 O GLY A 61 6.528 3.860 -8.757 1.00 23.13 O ATOM 0 H GLY A 61 5.114 3.514 -10.536 1.00 50.32 H new ATOM 0 HA2 GLY A 61 7.649 2.539 -11.447 1.00 25.03 H new ATOM 0 HA3 GLY A 61 7.569 4.287 -11.525 1.00 25.03 H new ATOM 936 N VAL A 62 8.619 3.110 -9.143 1.00 70.42 N ATOM 937 CA VAL A 62 9.039 2.957 -7.764 1.00 32.03 C ATOM 938 C VAL A 62 10.565 2.946 -7.732 1.00 41.42 C ATOM 939 O VAL A 62 11.182 2.000 -8.227 1.00 44.50 O ATOM 940 CB VAL A 62 8.351 1.720 -7.155 1.00 5.12 C ATOM 941 CG1 VAL A 62 8.334 0.446 -8.021 1.00 43.14 C ATOM 942 CG2 VAL A 62 8.882 1.354 -5.773 1.00 41.51 C ATOM 0 H VAL A 62 9.362 2.892 -9.807 1.00 70.42 H new ATOM 0 HA VAL A 62 8.728 3.789 -7.132 1.00 32.03 H new ATOM 0 HB VAL A 62 7.320 2.068 -7.088 1.00 5.12 H new ATOM 0 HG11 VAL A 62 7.823 -0.353 -7.483 1.00 43.14 H new ATOM 0 HG12 VAL A 62 7.810 0.648 -8.955 1.00 43.14 H new ATOM 0 HG13 VAL A 62 9.357 0.140 -8.238 1.00 43.14 H new ATOM 0 HG21 VAL A 62 8.355 0.475 -5.402 1.00 41.51 H new ATOM 0 HG22 VAL A 62 9.948 1.137 -5.839 1.00 41.51 H new ATOM 0 HG23 VAL A 62 8.723 2.188 -5.089 1.00 41.51 H new ATOM 952 N GLU A 63 11.156 4.038 -7.233 1.00 33.43 N ATOM 953 CA GLU A 63 12.610 4.267 -7.238 1.00 34.03 C ATOM 954 C GLU A 63 13.120 5.003 -5.976 1.00 72.14 C ATOM 955 O GLU A 63 12.396 5.809 -5.382 1.00 13.40 O ATOM 956 CB GLU A 63 13.039 4.997 -8.525 1.00 50.12 C ATOM 957 CG GLU A 63 12.837 4.089 -9.747 1.00 13.44 C ATOM 958 CD GLU A 63 13.579 4.563 -10.987 1.00 25.11 C ATOM 959 OE1 GLU A 63 14.817 4.397 -11.052 1.00 45.21 O ATOM 960 OE2 GLU A 63 12.901 5.039 -11.931 1.00 54.24 O ATOM 0 H GLU A 63 10.631 4.801 -6.807 1.00 33.43 H new ATOM 0 HA GLU A 63 13.080 3.284 -7.218 1.00 34.03 H new ATOM 0 HB2 GLU A 63 12.458 5.911 -8.643 1.00 50.12 H new ATOM 0 HB3 GLU A 63 14.086 5.292 -8.452 1.00 50.12 H new ATOM 0 HG2 GLU A 63 13.168 3.081 -9.499 1.00 13.44 H new ATOM 0 HG3 GLU A 63 11.772 4.028 -9.972 1.00 13.44 H new ATOM 967 N PRO A 64 14.355 4.703 -5.523 1.00 44.15 N ATOM 968 CA PRO A 64 14.836 4.973 -4.168 1.00 52.21 C ATOM 969 C PRO A 64 15.258 6.436 -3.984 1.00 65.45 C ATOM 970 O PRO A 64 16.448 6.762 -4.028 1.00 31.03 O ATOM 971 CB PRO A 64 16.006 3.998 -3.981 1.00 11.13 C ATOM 972 CG PRO A 64 16.610 3.916 -5.379 1.00 32.24 C ATOM 973 CD PRO A 64 15.367 3.953 -6.264 1.00 45.42 C ATOM 0 HA PRO A 64 14.059 4.826 -3.418 1.00 52.21 H new ATOM 0 HB2 PRO A 64 16.726 4.367 -3.251 1.00 11.13 H new ATOM 0 HB3 PRO A 64 15.667 3.023 -3.630 1.00 11.13 H new ATOM 0 HG2 PRO A 64 17.281 4.750 -5.583 1.00 32.24 H new ATOM 0 HG3 PRO A 64 17.186 3.001 -5.522 1.00 32.24 H new ATOM 0 HD2 PRO A 64 15.584 4.432 -7.219 1.00 45.42 H new ATOM 0 HD3 PRO A 64 15.018 2.944 -6.486 1.00 45.42 H new ATOM 981 N ALA A 65 14.298 7.333 -3.767 1.00 4.24 N ATOM 982 CA ALA A 65 14.611 8.747 -3.625 1.00 50.14 C ATOM 983 C ALA A 65 15.340 9.007 -2.303 1.00 22.21 C ATOM 984 O ALA A 65 15.192 8.293 -1.300 1.00 24.14 O ATOM 985 CB ALA A 65 13.346 9.600 -3.758 1.00 5.51 C ATOM 0 H ALA A 65 13.307 7.106 -3.687 1.00 4.24 H new ATOM 0 HA ALA A 65 15.283 9.038 -4.432 1.00 50.14 H new ATOM 0 HB1 ALA A 65 13.604 10.653 -3.648 1.00 5.51 H new ATOM 0 HB2 ALA A 65 12.898 9.436 -4.738 1.00 5.51 H new ATOM 0 HB3 ALA A 65 12.634 9.318 -2.982 1.00 5.51 H new ATOM 991 N GLY A 66 16.133 10.073 -2.305 1.00 1.52 N ATOM 992 CA GLY A 66 16.787 10.627 -1.132 1.00 32.11 C ATOM 993 C GLY A 66 17.920 9.786 -0.550 1.00 32.40 C ATOM 994 O GLY A 66 18.861 10.392 -0.060 1.00 14.41 O ATOM 0 H GLY A 66 16.344 10.592 -3.157 1.00 1.52 H new ATOM 0 HA2 GLY A 66 17.183 11.610 -1.389 1.00 32.11 H new ATOM 0 HA3 GLY A 66 16.036 10.779 -0.357 1.00 32.11 H new ATOM 998 N GLN A 67 17.956 8.464 -0.764 1.00 23.33 N ATOM 999 CA GLN A 67 18.663 7.379 -0.091 1.00 10.41 C ATOM 1000 C GLN A 67 17.974 6.969 1.219 1.00 30.20 C ATOM 1001 O GLN A 67 18.603 6.390 2.110 1.00 54.24 O ATOM 1002 CB GLN A 67 20.117 7.743 0.219 1.00 12.41 C ATOM 1003 CG GLN A 67 20.891 8.549 -0.836 1.00 53.24 C ATOM 1004 CD GLN A 67 22.139 7.911 -1.432 1.00 3.11 C ATOM 1005 OE1 GLN A 67 22.745 6.988 -0.895 1.00 13.11 O ATOM 1006 NE2 GLN A 67 22.516 8.397 -2.604 1.00 24.42 N ATOM 0 H GLN A 67 17.403 8.081 -1.531 1.00 23.33 H new ATOM 0 HA GLN A 67 18.643 6.541 -0.788 1.00 10.41 H new ATOM 0 HB2 GLN A 67 20.130 8.310 1.150 1.00 12.41 H new ATOM 0 HB3 GLN A 67 20.663 6.817 0.401 1.00 12.41 H new ATOM 0 HG2 GLN A 67 20.207 8.777 -1.653 1.00 53.24 H new ATOM 0 HG3 GLN A 67 21.180 9.499 -0.388 1.00 53.24 H new ATOM 0 HE21 GLN A 67 21.996 9.164 -3.029 1.00 24.42 H new ATOM 0 HE22 GLN A 67 23.327 8.004 -3.082 1.00 24.42 H new ATOM 1015 N TYR A 68 16.681 7.272 1.364 1.00 54.44 N ATOM 1016 CA TYR A 68 15.970 6.987 2.603 1.00 33.00 C ATOM 1017 C TYR A 68 14.463 6.787 2.465 1.00 52.12 C ATOM 1018 O TYR A 68 13.882 6.194 3.375 1.00 55.21 O ATOM 1019 CB TYR A 68 16.237 8.109 3.613 1.00 72.15 C ATOM 1020 CG TYR A 68 16.204 9.509 3.049 1.00 42.42 C ATOM 1021 CD1 TYR A 68 14.979 10.139 2.780 1.00 0.53 C ATOM 1022 CD2 TYR A 68 17.410 10.157 2.746 1.00 61.32 C ATOM 1023 CE1 TYR A 68 14.966 11.404 2.166 1.00 71.03 C ATOM 1024 CE2 TYR A 68 17.411 11.430 2.160 1.00 32.03 C ATOM 1025 CZ TYR A 68 16.182 12.056 1.850 1.00 22.10 C ATOM 1026 OH TYR A 68 16.156 13.233 1.176 1.00 75.11 O ATOM 0 H TYR A 68 16.112 7.712 0.641 1.00 54.44 H new ATOM 0 HA TYR A 68 16.361 6.028 2.943 1.00 33.00 H new ATOM 0 HB2 TYR A 68 15.498 8.040 4.411 1.00 72.15 H new ATOM 0 HB3 TYR A 68 17.214 7.941 4.067 1.00 72.15 H new ATOM 0 HD1 TYR A 68 14.050 9.654 3.043 1.00 0.53 H new ATOM 0 HD2 TYR A 68 18.348 9.670 2.967 1.00 61.32 H new ATOM 0 HE1 TYR A 68 14.025 11.880 1.935 1.00 71.03 H new ATOM 0 HE2 TYR A 68 18.344 11.929 1.947 1.00 32.03 H new ATOM 0 HH TYR A 68 17.073 13.551 1.038 1.00 75.11 H new ATOM 1036 N ALA A 69 13.814 7.285 1.404 1.00 30.01 N ATOM 1037 CA ALA A 69 12.361 7.246 1.300 1.00 74.41 C ATOM 1038 C ALA A 69 11.960 6.988 -0.146 1.00 61.23 C ATOM 1039 O ALA A 69 12.195 7.817 -1.028 1.00 62.42 O ATOM 1040 CB ALA A 69 11.707 8.509 1.877 1.00 35.02 C ATOM 0 H ALA A 69 14.280 7.719 0.607 1.00 30.01 H new ATOM 0 HA ALA A 69 11.988 6.422 1.909 1.00 74.41 H new ATOM 0 HB1 ALA A 69 10.624 8.436 1.778 1.00 35.02 H new ATOM 0 HB2 ALA A 69 11.969 8.606 2.931 1.00 35.02 H new ATOM 0 HB3 ALA A 69 12.063 9.384 1.333 1.00 35.02 H new ATOM 1046 N LEU A 70 11.398 5.810 -0.382 1.00 13.50 N ATOM 1047 CA LEU A 70 11.068 5.266 -1.690 1.00 12.44 C ATOM 1048 C LEU A 70 9.913 6.032 -2.314 1.00 45.44 C ATOM 1049 O LEU A 70 8.768 5.929 -1.875 1.00 72.15 O ATOM 1050 CB LEU A 70 10.755 3.777 -1.497 1.00 10.42 C ATOM 1051 CG LEU A 70 10.303 3.008 -2.748 1.00 32.32 C ATOM 1052 CD1 LEU A 70 11.279 3.242 -3.890 1.00 32.33 C ATOM 1053 CD2 LEU A 70 10.229 1.505 -2.466 1.00 51.32 C ATOM 0 H LEU A 70 11.147 5.175 0.376 1.00 13.50 H new ATOM 0 HA LEU A 70 11.901 5.371 -2.385 1.00 12.44 H new ATOM 0 HB2 LEU A 70 11.645 3.289 -1.099 1.00 10.42 H new ATOM 0 HB3 LEU A 70 9.976 3.687 -0.740 1.00 10.42 H new ATOM 0 HG LEU A 70 9.314 3.373 -3.024 1.00 32.32 H new ATOM 0 HD11 LEU A 70 10.947 2.692 -4.771 1.00 32.33 H new ATOM 0 HD12 LEU A 70 11.320 4.306 -4.121 1.00 32.33 H new ATOM 0 HD13 LEU A 70 12.270 2.896 -3.598 1.00 32.33 H new ATOM 0 HD21 LEU A 70 9.907 0.981 -3.366 1.00 51.32 H new ATOM 0 HD22 LEU A 70 11.212 1.142 -2.167 1.00 51.32 H new ATOM 0 HD23 LEU A 70 9.515 1.320 -1.664 1.00 51.32 H new ATOM 1065 N LYS A 71 10.222 6.788 -3.370 1.00 34.11 N ATOM 1066 CA LYS A 71 9.206 7.402 -4.200 1.00 14.32 C ATOM 1067 C LYS A 71 8.390 6.259 -4.796 1.00 64.24 C ATOM 1068 O LYS A 71 8.941 5.426 -5.518 1.00 30.13 O ATOM 1069 CB LYS A 71 9.857 8.268 -5.295 1.00 11.33 C ATOM 1070 CG LYS A 71 9.241 9.680 -5.363 1.00 43.14 C ATOM 1071 CD LYS A 71 10.057 10.665 -4.509 1.00 70.11 C ATOM 1072 CE LYS A 71 9.303 11.904 -4.007 1.00 15.14 C ATOM 1073 NZ LYS A 71 8.677 12.692 -5.086 1.00 20.42 N ATOM 0 H LYS A 71 11.178 6.985 -3.665 1.00 34.11 H new ATOM 0 HA LYS A 71 8.564 8.068 -3.624 1.00 14.32 H new ATOM 0 HB2 LYS A 71 10.927 8.349 -5.104 1.00 11.33 H new ATOM 0 HB3 LYS A 71 9.742 7.776 -6.261 1.00 11.33 H new ATOM 0 HG2 LYS A 71 9.214 10.022 -6.398 1.00 43.14 H new ATOM 0 HG3 LYS A 71 8.210 9.651 -5.010 1.00 43.14 H new ATOM 0 HD2 LYS A 71 10.449 10.128 -3.645 1.00 70.11 H new ATOM 0 HD3 LYS A 71 10.915 10.998 -5.094 1.00 70.11 H new ATOM 0 HE2 LYS A 71 8.532 11.590 -3.304 1.00 15.14 H new ATOM 0 HE3 LYS A 71 9.995 12.542 -3.457 1.00 15.14 H new ATOM 0 HZ1 LYS A 71 8.186 13.512 -4.677 1.00 20.42 H new ATOM 0 HZ2 LYS A 71 9.410 13.021 -5.746 1.00 20.42 H new ATOM 0 HZ3 LYS A 71 7.993 12.099 -5.597 1.00 20.42 H new ATOM 1087 N LEU A 72 7.105 6.198 -4.468 1.00 50.31 N ATOM 1088 CA LEU A 72 6.151 5.237 -5.004 1.00 63.22 C ATOM 1089 C LEU A 72 5.144 6.039 -5.804 1.00 3.23 C ATOM 1090 O LEU A 72 4.647 7.064 -5.319 1.00 14.13 O ATOM 1091 CB LEU A 72 5.481 4.456 -3.857 1.00 53.55 C ATOM 1092 CG LEU A 72 6.159 3.095 -3.614 1.00 44.32 C ATOM 1093 CD1 LEU A 72 6.064 2.672 -2.146 1.00 54.23 C ATOM 1094 CD2 LEU A 72 5.526 2.014 -4.498 1.00 50.22 C ATOM 0 H LEU A 72 6.684 6.840 -3.797 1.00 50.31 H new ATOM 0 HA LEU A 72 6.634 4.495 -5.640 1.00 63.22 H new ATOM 0 HB2 LEU A 72 5.520 5.049 -2.943 1.00 53.55 H new ATOM 0 HB3 LEU A 72 4.428 4.300 -4.091 1.00 53.55 H new ATOM 0 HG LEU A 72 7.212 3.207 -3.872 1.00 44.32 H new ATOM 0 HD11 LEU A 72 6.553 1.707 -2.013 1.00 54.23 H new ATOM 0 HD12 LEU A 72 6.555 3.417 -1.520 1.00 54.23 H new ATOM 0 HD13 LEU A 72 5.016 2.590 -1.858 1.00 54.23 H new ATOM 0 HD21 LEU A 72 6.018 1.059 -4.313 1.00 50.22 H new ATOM 0 HD22 LEU A 72 4.465 1.928 -4.264 1.00 50.22 H new ATOM 0 HD23 LEU A 72 5.645 2.286 -5.547 1.00 50.22 H new ATOM 1106 N SER A 73 4.859 5.594 -7.017 1.00 44.13 N ATOM 1107 CA SER A 73 3.973 6.261 -7.946 1.00 73.14 C ATOM 1108 C SER A 73 2.917 5.229 -8.308 1.00 41.51 C ATOM 1109 O SER A 73 3.256 4.131 -8.755 1.00 30.31 O ATOM 1110 CB SER A 73 4.788 6.766 -9.140 1.00 12.31 C ATOM 1111 OG SER A 73 5.751 7.710 -8.695 1.00 5.20 O ATOM 0 H SER A 73 5.253 4.730 -7.390 1.00 44.13 H new ATOM 0 HA SER A 73 3.482 7.144 -7.536 1.00 73.14 H new ATOM 0 HB2 SER A 73 5.284 5.931 -9.634 1.00 12.31 H new ATOM 0 HB3 SER A 73 4.128 7.225 -9.876 1.00 12.31 H new ATOM 0 HG SER A 73 6.273 8.031 -9.460 1.00 5.20 H new ATOM 1117 N PHE A 74 1.654 5.542 -8.040 1.00 14.14 N ATOM 1118 CA PHE A 74 0.538 4.621 -8.163 1.00 45.42 C ATOM 1119 C PHE A 74 -0.335 5.129 -9.287 1.00 31.11 C ATOM 1120 O PHE A 74 -0.642 6.320 -9.329 1.00 50.14 O ATOM 1121 CB PHE A 74 -0.249 4.581 -6.846 1.00 74.11 C ATOM 1122 CG PHE A 74 0.555 4.146 -5.634 1.00 54.54 C ATOM 1123 CD1 PHE A 74 0.924 2.802 -5.497 1.00 64.34 C ATOM 1124 CD2 PHE A 74 0.926 5.066 -4.635 1.00 3.24 C ATOM 1125 CE1 PHE A 74 1.659 2.386 -4.376 1.00 42.35 C ATOM 1126 CE2 PHE A 74 1.614 4.642 -3.486 1.00 50.35 C ATOM 1127 CZ PHE A 74 1.987 3.297 -3.358 1.00 4.13 C ATOM 0 H PHE A 74 1.374 6.470 -7.723 1.00 14.14 H new ATOM 0 HA PHE A 74 0.883 3.609 -8.376 1.00 45.42 H new ATOM 0 HB2 PHE A 74 -0.660 5.572 -6.655 1.00 74.11 H new ATOM 0 HB3 PHE A 74 -1.094 3.903 -6.965 1.00 74.11 H new ATOM 0 HD1 PHE A 74 0.643 2.085 -6.254 1.00 64.34 H new ATOM 0 HD2 PHE A 74 0.679 6.111 -4.753 1.00 3.24 H new ATOM 0 HE1 PHE A 74 1.975 1.356 -4.295 1.00 42.35 H new ATOM 0 HE2 PHE A 74 1.854 5.349 -2.705 1.00 50.35 H new ATOM 0 HZ PHE A 74 2.523 2.963 -2.482 1.00 4.13 H new ATOM 1137 N ASP A 75 -0.762 4.231 -10.176 1.00 72.25 N ATOM 1138 CA ASP A 75 -1.576 4.673 -11.316 1.00 71.34 C ATOM 1139 C ASP A 75 -2.977 5.128 -10.909 1.00 73.45 C ATOM 1140 O ASP A 75 -3.693 5.688 -11.734 1.00 63.54 O ATOM 1141 CB ASP A 75 -1.571 3.690 -12.494 1.00 34.54 C ATOM 1142 CG ASP A 75 -2.386 2.407 -12.382 1.00 11.11 C ATOM 1143 OD1 ASP A 75 -3.473 2.364 -11.767 1.00 41.04 O ATOM 1144 OD2 ASP A 75 -1.925 1.414 -12.996 1.00 43.11 O ATOM 0 H ASP A 75 -0.569 3.230 -10.137 1.00 72.25 H new ATOM 0 HA ASP A 75 -1.078 5.565 -11.696 1.00 71.34 H new ATOM 0 HB2 ASP A 75 -1.922 4.228 -13.375 1.00 34.54 H new ATOM 0 HB3 ASP A 75 -0.535 3.408 -12.684 1.00 34.54 H new ATOM 1149 N ASP A 76 -3.335 4.999 -9.629 1.00 63.25 N ATOM 1150 CA ASP A 76 -4.528 5.580 -9.013 1.00 23.13 C ATOM 1151 C ASP A 76 -4.558 7.115 -9.056 1.00 24.12 C ATOM 1152 O ASP A 76 -5.630 7.708 -8.903 1.00 51.03 O ATOM 1153 CB ASP A 76 -4.580 5.155 -7.544 1.00 3.12 C ATOM 1154 CG ASP A 76 -5.970 5.324 -6.935 1.00 10.13 C ATOM 1155 OD1 ASP A 76 -6.989 5.009 -7.584 1.00 42.32 O ATOM 1156 OD2 ASP A 76 -6.039 5.695 -5.743 1.00 33.51 O ATOM 0 H ASP A 76 -2.776 4.463 -8.965 1.00 63.25 H new ATOM 0 HA ASP A 76 -5.381 5.217 -9.585 1.00 23.13 H new ATOM 0 HB2 ASP A 76 -4.274 4.112 -7.460 1.00 3.12 H new ATOM 0 HB3 ASP A 76 -3.863 5.744 -6.973 1.00 3.12 H new ATOM 1161 N GLY A 77 -3.401 7.749 -9.283 1.00 2.24 N ATOM 1162 CA GLY A 77 -3.202 9.193 -9.284 1.00 43.21 C ATOM 1163 C GLY A 77 -2.509 9.658 -8.000 1.00 63.54 C ATOM 1164 O GLY A 77 -2.267 8.858 -7.092 1.00 52.15 O ATOM 0 H GLY A 77 -2.540 7.239 -9.480 1.00 2.24 H new ATOM 0 HA2 GLY A 77 -2.602 9.479 -10.148 1.00 43.21 H new ATOM 0 HA3 GLY A 77 -4.164 9.695 -9.383 1.00 43.21 H new ATOM 1168 N HIS A 78 -2.232 10.964 -7.924 1.00 21.41 N ATOM 1169 CA HIS A 78 -1.613 11.686 -6.811 1.00 51.41 C ATOM 1170 C HIS A 78 -0.302 11.051 -6.335 1.00 71.44 C ATOM 1171 O HIS A 78 -0.234 10.403 -5.288 1.00 50.23 O ATOM 1172 CB HIS A 78 -2.638 11.915 -5.688 1.00 14.33 C ATOM 1173 CG HIS A 78 -2.142 12.829 -4.592 1.00 72.02 C ATOM 1174 ND1 HIS A 78 -2.006 12.500 -3.261 1.00 60.44 N ATOM 1175 CD2 HIS A 78 -1.779 14.143 -4.733 1.00 35.30 C ATOM 1176 CE1 HIS A 78 -1.599 13.600 -2.609 1.00 4.20 C ATOM 1177 NE2 HIS A 78 -1.424 14.622 -3.466 1.00 64.25 N ATOM 0 H HIS A 78 -2.452 11.590 -8.699 1.00 21.41 H new ATOM 0 HA HIS A 78 -1.310 12.668 -7.174 1.00 51.41 H new ATOM 0 HB2 HIS A 78 -3.547 12.337 -6.118 1.00 14.33 H new ATOM 0 HB3 HIS A 78 -2.908 10.953 -5.253 1.00 14.33 H new ATOM 0 HD2 HIS A 78 -1.769 14.707 -5.654 1.00 35.30 H new ATOM 0 HE1 HIS A 78 -1.435 13.657 -1.543 1.00 4.20 H new ATOM 0 HE2 HIS A 78 -1.097 15.561 -3.238 1.00 64.25 H new ATOM 1185 N ASP A 79 0.768 11.256 -7.103 1.00 73.23 N ATOM 1186 CA ASP A 79 2.107 10.727 -6.850 1.00 1.32 C ATOM 1187 C ASP A 79 2.723 11.461 -5.634 1.00 43.53 C ATOM 1188 O ASP A 79 3.516 12.391 -5.829 1.00 20.31 O ATOM 1189 CB ASP A 79 3.007 10.921 -8.096 1.00 61.25 C ATOM 1190 CG ASP A 79 2.506 10.386 -9.437 1.00 31.41 C ATOM 1191 OD1 ASP A 79 2.603 9.162 -9.677 1.00 42.41 O ATOM 1192 OD2 ASP A 79 2.112 11.251 -10.256 1.00 72.45 O ATOM 0 H ASP A 79 0.723 11.818 -7.953 1.00 73.23 H new ATOM 0 HA ASP A 79 2.037 9.660 -6.637 1.00 1.32 H new ATOM 0 HB2 ASP A 79 3.191 11.989 -8.211 1.00 61.25 H new ATOM 0 HB3 ASP A 79 3.969 10.452 -7.889 1.00 61.25 H new ATOM 1197 N SER A 80 2.332 11.151 -4.388 1.00 1.53 N ATOM 1198 CA SER A 80 2.786 11.885 -3.200 1.00 75.34 C ATOM 1199 C SER A 80 2.650 11.064 -1.902 1.00 4.52 C ATOM 1200 O SER A 80 1.539 10.764 -1.448 1.00 13.34 O ATOM 1201 CB SER A 80 1.997 13.202 -3.101 1.00 63.21 C ATOM 1202 OG SER A 80 2.635 14.109 -2.221 1.00 71.43 O ATOM 0 H SER A 80 1.693 10.385 -4.178 1.00 1.53 H new ATOM 0 HA SER A 80 3.850 12.091 -3.314 1.00 75.34 H new ATOM 0 HB2 SER A 80 1.907 13.651 -4.090 1.00 63.21 H new ATOM 0 HB3 SER A 80 0.985 12.999 -2.749 1.00 63.21 H new ATOM 0 HG SER A 80 2.117 14.940 -2.175 1.00 71.43 H new ATOM 1208 N GLY A 81 3.785 10.758 -1.261 1.00 33.44 N ATOM 1209 CA GLY A 81 3.852 10.215 0.093 1.00 22.03 C ATOM 1210 C GLY A 81 5.281 9.935 0.546 1.00 34.12 C ATOM 1211 O GLY A 81 6.215 10.032 -0.258 1.00 73.45 O ATOM 0 H GLY A 81 4.704 10.886 -1.685 1.00 33.44 H new ATOM 0 HA2 GLY A 81 3.387 10.917 0.785 1.00 22.03 H new ATOM 0 HA3 GLY A 81 3.274 9.292 0.139 1.00 22.03 H new ATOM 1215 N LEU A 82 5.456 9.621 1.836 1.00 0.53 N ATOM 1216 CA LEU A 82 6.765 9.509 2.481 1.00 35.01 C ATOM 1217 C LEU A 82 6.915 8.102 3.049 1.00 40.23 C ATOM 1218 O LEU A 82 6.320 7.774 4.076 1.00 2.33 O ATOM 1219 CB LEU A 82 6.982 10.618 3.526 1.00 51.55 C ATOM 1220 CG LEU A 82 8.471 10.982 3.707 1.00 53.55 C ATOM 1221 CD1 LEU A 82 8.595 12.330 4.429 1.00 61.45 C ATOM 1222 CD2 LEU A 82 9.275 9.926 4.473 1.00 54.24 C ATOM 0 H LEU A 82 4.678 9.435 2.469 1.00 0.53 H new ATOM 0 HA LEU A 82 7.554 9.661 1.745 1.00 35.01 H new ATOM 0 HB2 LEU A 82 6.428 11.508 3.226 1.00 51.55 H new ATOM 0 HB3 LEU A 82 6.572 10.295 4.483 1.00 51.55 H new ATOM 0 HG LEU A 82 8.893 11.036 2.704 1.00 53.55 H new ATOM 0 HD11 LEU A 82 9.648 12.581 4.553 1.00 61.45 H new ATOM 0 HD12 LEU A 82 8.105 13.105 3.840 1.00 61.45 H new ATOM 0 HD13 LEU A 82 8.120 12.264 5.408 1.00 61.45 H new ATOM 0 HD21 LEU A 82 10.312 10.251 4.561 1.00 54.24 H new ATOM 0 HD22 LEU A 82 8.850 9.796 5.468 1.00 54.24 H new ATOM 0 HD23 LEU A 82 9.236 8.979 3.936 1.00 54.24 H new ATOM 1234 N PHE A 83 7.690 7.274 2.354 1.00 34.01 N ATOM 1235 CA PHE A 83 7.875 5.864 2.643 1.00 14.50 C ATOM 1236 C PHE A 83 9.318 5.605 3.045 1.00 73.22 C ATOM 1237 O PHE A 83 10.129 5.175 2.221 1.00 43.43 O ATOM 1238 CB PHE A 83 7.505 5.056 1.402 1.00 65.01 C ATOM 1239 CG PHE A 83 6.028 4.966 1.133 1.00 31.11 C ATOM 1240 CD1 PHE A 83 5.205 4.286 2.049 1.00 3.44 C ATOM 1241 CD2 PHE A 83 5.486 5.520 -0.041 1.00 33.41 C ATOM 1242 CE1 PHE A 83 3.841 4.138 1.777 1.00 51.53 C ATOM 1243 CE2 PHE A 83 4.119 5.354 -0.318 1.00 42.42 C ATOM 1244 CZ PHE A 83 3.312 4.645 0.586 1.00 3.44 C ATOM 0 H PHE A 83 8.225 7.584 1.543 1.00 34.01 H new ATOM 0 HA PHE A 83 7.233 5.563 3.471 1.00 14.50 H new ATOM 0 HB2 PHE A 83 7.993 5.502 0.535 1.00 65.01 H new ATOM 0 HB3 PHE A 83 7.904 4.047 1.509 1.00 65.01 H new ATOM 0 HD1 PHE A 83 5.624 3.880 2.958 1.00 3.44 H new ATOM 0 HD2 PHE A 83 6.117 6.069 -0.725 1.00 33.41 H new ATOM 0 HE1 PHE A 83 3.199 3.634 2.484 1.00 51.53 H new ATOM 0 HE2 PHE A 83 3.692 5.768 -1.219 1.00 42.42 H new ATOM 0 HZ PHE A 83 2.268 4.489 0.358 1.00 3.44 H new ATOM 1254 N THR A 84 9.653 5.885 4.302 1.00 55.31 N ATOM 1255 CA THR A 84 10.947 5.517 4.847 1.00 54.33 C ATOM 1256 C THR A 84 11.076 3.992 4.817 1.00 2.34 C ATOM 1257 O THR A 84 10.099 3.257 4.969 1.00 43.43 O ATOM 1258 CB THR A 84 11.140 6.077 6.265 1.00 32.20 C ATOM 1259 OG1 THR A 84 10.703 7.424 6.346 1.00 32.32 O ATOM 1260 CG2 THR A 84 12.617 6.063 6.663 1.00 55.23 C ATOM 0 H THR A 84 9.041 6.367 4.960 1.00 55.31 H new ATOM 0 HA THR A 84 11.736 5.955 4.236 1.00 54.33 H new ATOM 0 HB THR A 84 10.555 5.443 6.931 1.00 32.20 H new ATOM 0 HG1 THR A 84 10.835 7.756 7.258 1.00 32.32 H new ATOM 0 HG21 THR A 84 12.726 6.464 7.671 1.00 55.23 H new ATOM 0 HG22 THR A 84 12.991 5.039 6.638 1.00 55.23 H new ATOM 0 HG23 THR A 84 13.188 6.675 5.965 1.00 55.23 H new ATOM 1268 N TRP A 85 12.301 3.514 4.647 1.00 70.21 N ATOM 1269 CA TRP A 85 12.568 2.113 4.379 1.00 4.14 C ATOM 1270 C TRP A 85 12.103 1.154 5.476 1.00 73.34 C ATOM 1271 O TRP A 85 11.617 0.070 5.156 1.00 73.34 O ATOM 1272 CB TRP A 85 14.063 1.957 4.142 1.00 50.14 C ATOM 1273 CG TRP A 85 14.560 2.544 2.869 1.00 43.52 C ATOM 1274 CD1 TRP A 85 15.546 3.457 2.734 1.00 10.22 C ATOM 1275 CD2 TRP A 85 14.197 2.128 1.525 1.00 10.45 C ATOM 1276 NE1 TRP A 85 15.799 3.646 1.388 1.00 3.42 N ATOM 1277 CE2 TRP A 85 15.016 2.830 0.601 1.00 73.33 C ATOM 1278 CE3 TRP A 85 13.315 1.162 1.005 1.00 74.43 C ATOM 1279 CZ2 TRP A 85 14.969 2.572 -0.777 1.00 42.50 C ATOM 1280 CZ3 TRP A 85 13.266 0.893 -0.372 1.00 63.42 C ATOM 1281 CH2 TRP A 85 14.087 1.596 -1.271 1.00 54.20 C ATOM 0 H TRP A 85 13.140 4.093 4.692 1.00 70.21 H new ATOM 0 HA TRP A 85 11.986 1.835 3.500 1.00 4.14 H new ATOM 0 HB2 TRP A 85 14.598 2.420 4.972 1.00 50.14 H new ATOM 0 HB3 TRP A 85 14.309 0.895 4.156 1.00 50.14 H new ATOM 0 HD1 TRP A 85 16.054 3.958 3.545 1.00 10.22 H new ATOM 0 HE1 TRP A 85 16.482 4.309 1.022 1.00 3.42 H new ATOM 0 HE3 TRP A 85 12.666 0.619 1.676 1.00 74.43 H new ATOM 0 HZ2 TRP A 85 15.607 3.120 -1.454 1.00 42.50 H new ATOM 0 HZ3 TRP A 85 12.590 0.138 -0.745 1.00 63.42 H new ATOM 0 HH2 TRP A 85 14.040 1.388 -2.330 1.00 54.20 H new ATOM 1292 N ASP A 86 12.250 1.520 6.753 1.00 41.30 N ATOM 1293 CA ASP A 86 11.973 0.572 7.839 1.00 14.33 C ATOM 1294 C ASP A 86 10.472 0.329 7.960 1.00 51.12 C ATOM 1295 O ASP A 86 10.063 -0.813 8.158 1.00 61.13 O ATOM 1296 CB ASP A 86 12.610 1.029 9.161 1.00 41.33 C ATOM 1297 CG ASP A 86 13.292 -0.130 9.890 1.00 32.34 C ATOM 1298 OD1 ASP A 86 12.634 -0.876 10.658 1.00 70.12 O ATOM 1299 OD2 ASP A 86 14.523 -0.297 9.724 1.00 1.14 O ATOM 0 H ASP A 86 12.553 2.445 7.057 1.00 41.30 H new ATOM 0 HA ASP A 86 12.437 -0.384 7.596 1.00 14.33 H new ATOM 0 HB2 ASP A 86 13.340 1.813 8.961 1.00 41.33 H new ATOM 0 HB3 ASP A 86 11.844 1.463 9.804 1.00 41.33 H new ATOM 1304 N TYR A 87 9.671 1.377 7.724 1.00 25.34 N ATOM 1305 CA TYR A 87 8.222 1.337 7.556 1.00 31.32 C ATOM 1306 C TYR A 87 7.851 0.411 6.393 1.00 50.33 C ATOM 1307 O TYR A 87 6.987 -0.447 6.537 1.00 13.43 O ATOM 1308 CB TYR A 87 7.709 2.780 7.363 1.00 31.44 C ATOM 1309 CG TYR A 87 6.253 2.924 6.965 1.00 41.22 C ATOM 1310 CD1 TYR A 87 5.280 2.162 7.631 1.00 62.43 C ATOM 1311 CD2 TYR A 87 5.865 3.832 5.953 1.00 10.13 C ATOM 1312 CE1 TYR A 87 3.932 2.280 7.279 1.00 4.42 C ATOM 1313 CE2 TYR A 87 4.508 3.961 5.591 1.00 71.01 C ATOM 1314 CZ TYR A 87 3.541 3.178 6.262 1.00 53.14 C ATOM 1315 OH TYR A 87 2.242 3.247 5.879 1.00 31.00 O ATOM 0 H TYR A 87 10.042 2.324 7.642 1.00 25.34 H new ATOM 0 HA TYR A 87 7.740 0.925 8.442 1.00 31.32 H new ATOM 0 HB2 TYR A 87 7.866 3.327 8.293 1.00 31.44 H new ATOM 0 HB3 TYR A 87 8.322 3.263 6.602 1.00 31.44 H new ATOM 0 HD1 TYR A 87 5.574 1.483 8.418 1.00 62.43 H new ATOM 0 HD2 TYR A 87 6.613 4.431 5.454 1.00 10.13 H new ATOM 0 HE1 TYR A 87 3.188 1.683 7.786 1.00 4.42 H new ATOM 0 HE2 TYR A 87 4.212 4.648 4.812 1.00 71.01 H new ATOM 0 HH TYR A 87 1.817 2.373 6.003 1.00 31.00 H new ATOM 1325 N LEU A 88 8.517 0.522 5.242 1.00 12.51 N ATOM 1326 CA LEU A 88 8.202 -0.335 4.100 1.00 3.22 C ATOM 1327 C LEU A 88 8.447 -1.809 4.405 1.00 3.11 C ATOM 1328 O LEU A 88 7.584 -2.648 4.147 1.00 70.21 O ATOM 1329 CB LEU A 88 8.998 0.092 2.866 1.00 41.23 C ATOM 1330 CG LEU A 88 8.525 1.433 2.289 1.00 13.51 C ATOM 1331 CD1 LEU A 88 9.396 1.768 1.075 1.00 71.00 C ATOM 1332 CD2 LEU A 88 7.019 1.412 1.955 1.00 45.33 C ATOM 0 H LEU A 88 9.270 1.190 5.078 1.00 12.51 H new ATOM 0 HA LEU A 88 7.138 -0.215 3.893 1.00 3.22 H new ATOM 0 HB2 LEU A 88 10.054 0.166 3.128 1.00 41.23 H new ATOM 0 HB3 LEU A 88 8.913 -0.678 2.100 1.00 41.23 H new ATOM 0 HG LEU A 88 8.642 2.220 3.034 1.00 13.51 H new ATOM 0 HD11 LEU A 88 9.076 2.719 0.649 1.00 71.00 H new ATOM 0 HD12 LEU A 88 10.439 1.841 1.384 1.00 71.00 H new ATOM 0 HD13 LEU A 88 9.294 0.982 0.326 1.00 71.00 H new ATOM 0 HD21 LEU A 88 6.723 2.379 1.549 1.00 45.33 H new ATOM 0 HD22 LEU A 88 6.820 0.633 1.219 1.00 45.33 H new ATOM 0 HD23 LEU A 88 6.448 1.209 2.861 1.00 45.33 H new ATOM 1344 N TYR A 89 9.611 -2.148 4.958 1.00 21.02 N ATOM 1345 CA TYR A 89 9.879 -3.529 5.338 1.00 50.42 C ATOM 1346 C TYR A 89 8.941 -3.990 6.451 1.00 2.42 C ATOM 1347 O TYR A 89 8.555 -5.154 6.464 1.00 32.03 O ATOM 1348 CB TYR A 89 11.364 -3.718 5.665 1.00 25.05 C ATOM 1349 CG TYR A 89 12.127 -4.558 4.651 1.00 25.34 C ATOM 1350 CD1 TYR A 89 11.573 -5.709 4.053 1.00 53.53 C ATOM 1351 CD2 TYR A 89 13.431 -4.182 4.301 1.00 24.14 C ATOM 1352 CE1 TYR A 89 12.289 -6.422 3.091 1.00 42.23 C ATOM 1353 CE2 TYR A 89 14.192 -4.948 3.413 1.00 64.33 C ATOM 1354 CZ TYR A 89 13.607 -6.052 2.772 1.00 42.50 C ATOM 1355 OH TYR A 89 14.318 -6.750 1.856 1.00 13.44 O ATOM 0 H TYR A 89 10.371 -1.495 5.149 1.00 21.02 H new ATOM 0 HA TYR A 89 9.666 -4.179 4.490 1.00 50.42 H new ATOM 0 HB2 TYR A 89 11.836 -2.738 5.736 1.00 25.05 H new ATOM 0 HB3 TYR A 89 11.451 -4.186 6.646 1.00 25.05 H new ATOM 0 HD1 TYR A 89 10.587 -6.041 4.342 1.00 53.53 H new ATOM 0 HD2 TYR A 89 13.856 -3.284 4.725 1.00 24.14 H new ATOM 0 HE1 TYR A 89 11.829 -7.261 2.590 1.00 42.23 H new ATOM 0 HE2 TYR A 89 15.224 -4.692 3.221 1.00 64.33 H new ATOM 0 HH TYR A 89 14.749 -7.515 2.290 1.00 13.44 H new ATOM 1365 N GLU A 90 8.523 -3.110 7.355 1.00 50.51 N ATOM 1366 CA GLU A 90 7.524 -3.437 8.358 1.00 52.13 C ATOM 1367 C GLU A 90 6.249 -3.942 7.656 1.00 2.51 C ATOM 1368 O GLU A 90 5.800 -5.059 7.915 1.00 64.13 O ATOM 1369 CB GLU A 90 7.315 -2.200 9.240 1.00 13.15 C ATOM 1370 CG GLU A 90 6.537 -2.497 10.517 1.00 62.13 C ATOM 1371 CD GLU A 90 6.291 -1.237 11.352 1.00 14.31 C ATOM 1372 OE1 GLU A 90 6.284 -0.098 10.824 1.00 44.41 O ATOM 1373 OE2 GLU A 90 6.013 -1.379 12.558 1.00 71.31 O ATOM 0 H GLU A 90 8.869 -2.152 7.410 1.00 50.51 H new ATOM 0 HA GLU A 90 7.842 -4.247 9.015 1.00 52.13 H new ATOM 0 HB2 GLU A 90 8.286 -1.781 9.503 1.00 13.15 H new ATOM 0 HB3 GLU A 90 6.784 -1.439 8.668 1.00 13.15 H new ATOM 0 HG2 GLU A 90 5.581 -2.953 10.260 1.00 62.13 H new ATOM 0 HG3 GLU A 90 7.087 -3.225 11.114 1.00 62.13 H new ATOM 1380 N LEU A 91 5.720 -3.174 6.697 1.00 64.11 N ATOM 1381 CA LEU A 91 4.553 -3.544 5.890 1.00 61.42 C ATOM 1382 C LEU A 91 4.776 -4.852 5.116 1.00 10.54 C ATOM 1383 O LEU A 91 3.823 -5.616 4.976 1.00 50.14 O ATOM 1384 CB LEU A 91 4.212 -2.415 4.900 1.00 71.42 C ATOM 1385 CG LEU A 91 3.853 -1.050 5.519 1.00 73.02 C ATOM 1386 CD1 LEU A 91 3.845 0.037 4.442 1.00 62.30 C ATOM 1387 CD2 LEU A 91 2.484 -1.069 6.196 1.00 65.03 C ATOM 0 H LEU A 91 6.100 -2.259 6.456 1.00 64.11 H new ATOM 0 HA LEU A 91 3.722 -3.699 6.579 1.00 61.42 H new ATOM 0 HB2 LEU A 91 5.063 -2.275 4.234 1.00 71.42 H new ATOM 0 HB3 LEU A 91 3.375 -2.742 4.283 1.00 71.42 H new ATOM 0 HG LEU A 91 4.612 -0.837 6.271 1.00 73.02 H new ATOM 0 HD11 LEU A 91 3.590 0.995 4.894 1.00 62.30 H new ATOM 0 HD12 LEU A 91 4.832 0.103 3.984 1.00 62.30 H new ATOM 0 HD13 LEU A 91 3.107 -0.212 3.679 1.00 62.30 H new ATOM 0 HD21 LEU A 91 2.273 -0.086 6.618 1.00 65.03 H new ATOM 0 HD22 LEU A 91 1.719 -1.321 5.462 1.00 65.03 H new ATOM 0 HD23 LEU A 91 2.482 -1.814 6.992 1.00 65.03 H new ATOM 1399 N ALA A 92 6.003 -5.131 4.647 1.00 1.12 N ATOM 1400 CA ALA A 92 6.360 -6.342 3.900 1.00 25.32 C ATOM 1401 C ALA A 92 5.848 -7.590 4.607 1.00 11.13 C ATOM 1402 O ALA A 92 5.081 -8.371 4.047 1.00 44.32 O ATOM 1403 CB ALA A 92 7.882 -6.451 3.690 1.00 30.41 C ATOM 0 H ALA A 92 6.794 -4.501 4.782 1.00 1.12 H new ATOM 0 HA ALA A 92 5.883 -6.266 2.923 1.00 25.32 H new ATOM 0 HB1 ALA A 92 8.108 -7.360 3.133 1.00 30.41 H new ATOM 0 HB2 ALA A 92 8.235 -5.585 3.130 1.00 30.41 H new ATOM 0 HB3 ALA A 92 8.381 -6.485 4.658 1.00 30.41 H new ATOM 1409 N THR A 93 6.319 -7.788 5.833 1.00 61.40 N ATOM 1410 CA THR A 93 6.057 -9.024 6.571 1.00 41.10 C ATOM 1411 C THR A 93 4.614 -9.049 7.093 1.00 33.45 C ATOM 1412 O THR A 93 3.950 -10.090 7.119 1.00 32.41 O ATOM 1413 CB THR A 93 7.186 -9.235 7.598 1.00 12.41 C ATOM 1414 OG1 THR A 93 7.092 -10.454 8.296 1.00 70.40 O ATOM 1415 CG2 THR A 93 7.352 -8.120 8.611 1.00 3.15 C ATOM 0 H THR A 93 6.886 -7.108 6.340 1.00 61.40 H new ATOM 0 HA THR A 93 6.093 -9.905 5.931 1.00 41.10 H new ATOM 0 HB THR A 93 8.070 -9.244 6.960 1.00 12.41 H new ATOM 0 HG1 THR A 93 7.341 -11.192 7.701 1.00 70.40 H new ATOM 0 HG21 THR A 93 8.171 -8.363 9.288 1.00 3.15 H new ATOM 0 HG22 THR A 93 7.574 -7.187 8.092 1.00 3.15 H new ATOM 0 HG23 THR A 93 6.430 -8.007 9.182 1.00 3.15 H new ATOM 1423 N ARG A 94 4.072 -7.875 7.416 1.00 73.30 N ATOM 1424 CA ARG A 94 2.750 -7.694 8.009 1.00 30.22 C ATOM 1425 C ARG A 94 1.604 -7.770 6.998 1.00 65.40 C ATOM 1426 O ARG A 94 0.449 -7.653 7.408 1.00 30.05 O ATOM 1427 CB ARG A 94 2.756 -6.320 8.692 1.00 22.22 C ATOM 1428 CG ARG A 94 3.790 -6.191 9.822 1.00 74.20 C ATOM 1429 CD ARG A 94 3.235 -6.613 11.185 1.00 61.41 C ATOM 1430 NE ARG A 94 3.199 -8.077 11.355 1.00 33.35 N ATOM 1431 CZ ARG A 94 4.207 -8.886 11.716 1.00 43.12 C ATOM 1432 NH1 ARG A 94 5.438 -8.427 11.913 1.00 72.22 N ATOM 1433 NH2 ARG A 94 3.973 -10.181 11.885 1.00 65.21 N ATOM 0 H ARG A 94 4.561 -6.992 7.266 1.00 73.30 H new ATOM 0 HA ARG A 94 2.569 -8.508 8.710 1.00 30.22 H new ATOM 0 HB2 ARG A 94 2.954 -5.553 7.943 1.00 22.22 H new ATOM 0 HB3 ARG A 94 1.763 -6.122 9.097 1.00 22.22 H new ATOM 0 HG2 ARG A 94 4.660 -6.803 9.584 1.00 74.20 H new ATOM 0 HG3 ARG A 94 4.133 -5.158 9.878 1.00 74.20 H new ATOM 0 HD2 ARG A 94 3.847 -6.175 11.974 1.00 61.41 H new ATOM 0 HD3 ARG A 94 2.228 -6.213 11.303 1.00 61.41 H new ATOM 0 HE ARG A 94 2.302 -8.528 11.177 1.00 33.35 H new ATOM 0 HH11 ARG A 94 5.638 -7.434 11.790 1.00 72.22 H new ATOM 0 HH12 ARG A 94 6.183 -9.067 12.187 1.00 72.22 H new ATOM 0 HH21 ARG A 94 3.034 -10.553 11.741 1.00 65.21 H new ATOM 0 HH22 ARG A 94 4.732 -10.805 12.159 1.00 65.21 H new ATOM 1447 N LYS A 95 1.897 -7.920 5.701 1.00 65.44 N ATOM 1448 CA LYS A 95 0.952 -7.687 4.614 1.00 65.43 C ATOM 1449 C LYS A 95 -0.393 -8.361 4.847 1.00 12.14 C ATOM 1450 O LYS A 95 -1.413 -7.681 4.831 1.00 70.12 O ATOM 1451 CB LYS A 95 1.575 -8.118 3.272 1.00 4.41 C ATOM 1452 CG LYS A 95 0.621 -7.980 2.068 1.00 11.21 C ATOM 1453 CD LYS A 95 0.709 -9.112 1.029 1.00 61.13 C ATOM 1454 CE LYS A 95 0.033 -10.418 1.473 1.00 70.11 C ATOM 1455 NZ LYS A 95 0.951 -11.439 2.032 1.00 71.43 N ATOM 0 H LYS A 95 2.818 -8.213 5.376 1.00 65.44 H new ATOM 0 HA LYS A 95 0.748 -6.617 4.581 1.00 65.43 H new ATOM 0 HB2 LYS A 95 2.467 -7.519 3.087 1.00 4.41 H new ATOM 0 HB3 LYS A 95 1.899 -9.156 3.350 1.00 4.41 H new ATOM 0 HG2 LYS A 95 -0.402 -7.929 2.440 1.00 11.21 H new ATOM 0 HG3 LYS A 95 0.827 -7.033 1.569 1.00 11.21 H new ATOM 0 HD2 LYS A 95 0.251 -8.775 0.099 1.00 61.13 H new ATOM 0 HD3 LYS A 95 1.758 -9.313 0.813 1.00 61.13 H new ATOM 0 HE2 LYS A 95 -0.723 -10.182 2.222 1.00 70.11 H new ATOM 0 HE3 LYS A 95 -0.488 -10.849 0.618 1.00 70.11 H new ATOM 0 HZ1 LYS A 95 0.396 -12.217 2.442 1.00 71.43 H new ATOM 0 HZ2 LYS A 95 1.561 -11.809 1.275 1.00 71.43 H new ATOM 0 HZ3 LYS A 95 1.541 -11.007 2.772 1.00 71.43 H new ATOM 1469 N ASP A 96 -0.406 -9.686 4.971 1.00 3.44 N ATOM 1470 CA ASP A 96 -1.632 -10.494 4.959 1.00 62.42 C ATOM 1471 C ASP A 96 -2.605 -10.021 6.042 1.00 73.40 C ATOM 1472 O ASP A 96 -3.801 -9.861 5.793 1.00 43.21 O ATOM 1473 CB ASP A 96 -1.281 -11.982 5.157 1.00 33.02 C ATOM 1474 CG ASP A 96 -1.815 -12.889 4.049 1.00 10.24 C ATOM 1475 OD1 ASP A 96 -1.439 -12.648 2.883 1.00 32.43 O ATOM 1476 OD2 ASP A 96 -2.488 -13.906 4.327 1.00 4.32 O ATOM 0 H ASP A 96 0.443 -10.240 5.084 1.00 3.44 H new ATOM 0 HA ASP A 96 -2.121 -10.373 3.992 1.00 62.42 H new ATOM 0 HB2 ASP A 96 -0.197 -12.087 5.210 1.00 33.02 H new ATOM 0 HB3 ASP A 96 -1.681 -12.317 6.114 1.00 33.02 H new ATOM 1481 N GLN A 97 -2.069 -9.763 7.235 1.00 11.55 N ATOM 1482 CA GLN A 97 -2.783 -9.295 8.411 1.00 11.45 C ATOM 1483 C GLN A 97 -3.372 -7.896 8.154 1.00 23.45 C ATOM 1484 O GLN A 97 -4.590 -7.716 8.209 1.00 43.41 O ATOM 1485 CB GLN A 97 -1.789 -9.390 9.590 1.00 72.12 C ATOM 1486 CG GLN A 97 -2.261 -8.818 10.928 1.00 62.11 C ATOM 1487 CD GLN A 97 -3.696 -9.219 11.265 1.00 65.13 C ATOM 1488 OE1 GLN A 97 -4.071 -10.394 11.220 1.00 74.02 O ATOM 1489 NE2 GLN A 97 -4.529 -8.251 11.575 1.00 10.53 N ATOM 0 H GLN A 97 -1.071 -9.883 7.411 1.00 11.55 H new ATOM 0 HA GLN A 97 -3.654 -9.903 8.658 1.00 11.45 H new ATOM 0 HB2 GLN A 97 -1.535 -10.440 9.738 1.00 72.12 H new ATOM 0 HB3 GLN A 97 -0.871 -8.877 9.304 1.00 72.12 H new ATOM 0 HG2 GLN A 97 -1.596 -9.161 11.721 1.00 62.11 H new ATOM 0 HG3 GLN A 97 -2.189 -7.731 10.900 1.00 62.11 H new ATOM 0 HE21 GLN A 97 -4.200 -7.286 11.607 1.00 10.53 H new ATOM 0 HE22 GLN A 97 -5.504 -8.465 11.784 1.00 10.53 H new ATOM 1498 N LEU A 98 -2.524 -6.933 7.782 1.00 63.23 N ATOM 1499 CA LEU A 98 -2.904 -5.565 7.411 1.00 10.13 C ATOM 1500 C LEU A 98 -3.977 -5.553 6.332 1.00 33.04 C ATOM 1501 O LEU A 98 -4.889 -4.724 6.350 1.00 30.01 O ATOM 1502 CB LEU A 98 -1.649 -4.836 6.882 1.00 73.04 C ATOM 1503 CG LEU A 98 -0.902 -3.949 7.894 1.00 5.43 C ATOM 1504 CD1 LEU A 98 -0.854 -4.529 9.304 1.00 10.15 C ATOM 1505 CD2 LEU A 98 0.520 -3.717 7.381 1.00 10.25 C ATOM 0 H LEU A 98 -1.517 -7.089 7.729 1.00 63.23 H new ATOM 0 HA LEU A 98 -3.308 -5.066 8.292 1.00 10.13 H new ATOM 0 HB2 LEU A 98 -0.953 -5.584 6.502 1.00 73.04 H new ATOM 0 HB3 LEU A 98 -1.944 -4.216 6.035 1.00 73.04 H new ATOM 0 HG LEU A 98 -1.455 -3.013 7.974 1.00 5.43 H new ATOM 0 HD11 LEU A 98 -0.312 -3.848 9.959 1.00 10.15 H new ATOM 0 HD12 LEU A 98 -1.869 -4.661 9.678 1.00 10.15 H new ATOM 0 HD13 LEU A 98 -0.347 -5.493 9.284 1.00 10.15 H new ATOM 0 HD21 LEU A 98 1.064 -3.090 8.087 1.00 10.25 H new ATOM 0 HD22 LEU A 98 1.031 -4.675 7.279 1.00 10.25 H new ATOM 0 HD23 LEU A 98 0.481 -3.221 6.411 1.00 10.25 H new ATOM 1517 N TRP A 99 -3.871 -6.449 5.359 1.00 12.12 N ATOM 1518 CA TRP A 99 -4.817 -6.498 4.271 1.00 42.23 C ATOM 1519 C TRP A 99 -6.201 -6.911 4.771 1.00 74.44 C ATOM 1520 O TRP A 99 -7.184 -6.315 4.345 1.00 73.32 O ATOM 1521 CB TRP A 99 -4.284 -7.402 3.163 1.00 13.44 C ATOM 1522 CG TRP A 99 -5.141 -7.404 1.944 1.00 62.04 C ATOM 1523 CD1 TRP A 99 -5.743 -8.499 1.433 1.00 2.23 C ATOM 1524 CD2 TRP A 99 -5.554 -6.276 1.105 1.00 51.40 C ATOM 1525 NE1 TRP A 99 -6.476 -8.127 0.330 1.00 74.13 N ATOM 1526 CE2 TRP A 99 -6.425 -6.775 0.098 1.00 12.14 C ATOM 1527 CE3 TRP A 99 -5.301 -4.884 1.083 1.00 63.30 C ATOM 1528 CZ2 TRP A 99 -7.014 -5.957 -0.874 1.00 24.31 C ATOM 1529 CZ3 TRP A 99 -5.838 -4.058 0.076 1.00 13.53 C ATOM 1530 CH2 TRP A 99 -6.683 -4.595 -0.911 1.00 31.03 C ATOM 0 H TRP A 99 -3.133 -7.151 5.309 1.00 12.12 H new ATOM 0 HA TRP A 99 -4.937 -5.502 3.844 1.00 42.23 H new ATOM 0 HB2 TRP A 99 -3.279 -7.080 2.892 1.00 13.44 H new ATOM 0 HB3 TRP A 99 -4.201 -8.420 3.542 1.00 13.44 H new ATOM 0 HD1 TRP A 99 -5.662 -9.502 1.826 1.00 2.23 H new ATOM 0 HE1 TRP A 99 -6.999 -8.783 -0.251 1.00 74.13 H new ATOM 0 HE3 TRP A 99 -4.684 -4.446 1.854 1.00 63.30 H new ATOM 0 HZ2 TRP A 99 -7.714 -6.370 -1.586 1.00 24.31 H new ATOM 0 HZ3 TRP A 99 -5.599 -3.005 0.062 1.00 13.53 H new ATOM 0 HH2 TRP A 99 -7.075 -3.962 -1.693 1.00 31.03 H new ATOM 1541 N ALA A 100 -6.304 -7.881 5.687 1.00 21.25 N ATOM 1542 CA ALA A 100 -7.592 -8.278 6.258 1.00 43.20 C ATOM 1543 C ALA A 100 -8.235 -7.127 7.041 1.00 64.24 C ATOM 1544 O ALA A 100 -9.454 -6.965 7.004 1.00 52.32 O ATOM 1545 CB ALA A 100 -7.401 -9.483 7.186 1.00 12.15 C ATOM 0 H ALA A 100 -5.507 -8.406 6.048 1.00 21.25 H new ATOM 0 HA ALA A 100 -8.255 -8.545 5.435 1.00 43.20 H new ATOM 0 HB1 ALA A 100 -8.363 -9.774 7.608 1.00 12.15 H new ATOM 0 HB2 ALA A 100 -6.987 -10.317 6.619 1.00 12.15 H new ATOM 0 HB3 ALA A 100 -6.717 -9.217 7.992 1.00 12.15 H new ATOM 1551 N ASP A 101 -7.424 -6.327 7.738 1.00 72.14 N ATOM 1552 CA ASP A 101 -7.866 -5.077 8.362 1.00 3.43 C ATOM 1553 C ASP A 101 -8.466 -4.176 7.268 1.00 21.04 C ATOM 1554 O ASP A 101 -9.616 -3.748 7.358 1.00 25.42 O ATOM 1555 CB ASP A 101 -6.683 -4.406 9.101 1.00 30.01 C ATOM 1556 CG ASP A 101 -6.573 -4.709 10.600 1.00 50.21 C ATOM 1557 OD1 ASP A 101 -7.398 -5.440 11.188 1.00 72.34 O ATOM 1558 OD2 ASP A 101 -5.586 -4.250 11.216 1.00 71.02 O ATOM 0 H ASP A 101 -6.435 -6.530 7.886 1.00 72.14 H new ATOM 0 HA ASP A 101 -8.635 -5.266 9.111 1.00 3.43 H new ATOM 0 HB2 ASP A 101 -5.756 -4.715 8.618 1.00 30.01 H new ATOM 0 HB3 ASP A 101 -6.765 -3.327 8.973 1.00 30.01 H new ATOM 1563 N TYR A 102 -7.736 -3.953 6.171 1.00 62.03 N ATOM 1564 CA TYR A 102 -8.200 -3.140 5.048 1.00 10.24 C ATOM 1565 C TYR A 102 -9.448 -3.664 4.312 1.00 44.14 C ATOM 1566 O TYR A 102 -10.154 -2.869 3.677 1.00 22.32 O ATOM 1567 CB TYR A 102 -7.053 -2.950 4.048 1.00 23.31 C ATOM 1568 CG TYR A 102 -6.204 -1.716 4.294 1.00 4.20 C ATOM 1569 CD1 TYR A 102 -6.808 -0.450 4.425 1.00 14.14 C ATOM 1570 CD2 TYR A 102 -4.810 -1.835 4.454 1.00 50.53 C ATOM 1571 CE1 TYR A 102 -6.026 0.675 4.731 1.00 54.21 C ATOM 1572 CE2 TYR A 102 -4.033 -0.710 4.790 1.00 70.41 C ATOM 1573 CZ TYR A 102 -4.644 0.552 4.943 1.00 70.21 C ATOM 1574 OH TYR A 102 -3.937 1.644 5.338 1.00 63.44 O ATOM 0 H TYR A 102 -6.800 -4.335 6.039 1.00 62.03 H new ATOM 0 HA TYR A 102 -8.513 -2.194 5.491 1.00 10.24 H new ATOM 0 HB2 TYR A 102 -6.411 -3.830 4.079 1.00 23.31 H new ATOM 0 HB3 TYR A 102 -7.470 -2.895 3.042 1.00 23.31 H new ATOM 0 HD1 TYR A 102 -7.874 -0.345 4.290 1.00 14.14 H new ATOM 0 HD2 TYR A 102 -4.334 -2.795 4.318 1.00 50.53 H new ATOM 0 HE1 TYR A 102 -6.493 1.646 4.804 1.00 54.21 H new ATOM 0 HE2 TYR A 102 -2.967 -0.814 4.931 1.00 70.41 H new ATOM 0 HH TYR A 102 -3.389 1.415 6.117 1.00 63.44 H new ATOM 1584 N LEU A 103 -9.735 -4.967 4.324 1.00 62.32 N ATOM 1585 CA LEU A 103 -11.019 -5.470 3.823 1.00 5.31 C ATOM 1586 C LEU A 103 -12.153 -5.064 4.751 1.00 11.21 C ATOM 1587 O LEU A 103 -13.230 -4.741 4.251 1.00 53.44 O ATOM 1588 CB LEU A 103 -11.085 -7.001 3.674 1.00 71.14 C ATOM 1589 CG LEU A 103 -10.540 -7.621 2.372 1.00 70.43 C ATOM 1590 CD1 LEU A 103 -10.991 -6.910 1.094 1.00 71.42 C ATOM 1591 CD2 LEU A 103 -9.024 -7.705 2.347 1.00 22.33 C ATOM 0 H LEU A 103 -9.103 -5.689 4.671 1.00 62.32 H new ATOM 0 HA LEU A 103 -11.119 -5.025 2.833 1.00 5.31 H new ATOM 0 HB2 LEU A 103 -10.540 -7.442 4.509 1.00 71.14 H new ATOM 0 HB3 LEU A 103 -12.127 -7.303 3.778 1.00 71.14 H new ATOM 0 HG LEU A 103 -10.972 -8.622 2.381 1.00 70.43 H new ATOM 0 HD11 LEU A 103 -10.561 -7.412 0.227 1.00 71.42 H new ATOM 0 HD12 LEU A 103 -12.079 -6.937 1.027 1.00 71.42 H new ATOM 0 HD13 LEU A 103 -10.655 -5.873 1.116 1.00 71.42 H new ATOM 0 HD21 LEU A 103 -8.700 -8.150 1.406 1.00 22.33 H new ATOM 0 HD22 LEU A 103 -8.603 -6.704 2.440 1.00 22.33 H new ATOM 0 HD23 LEU A 103 -8.680 -8.322 3.177 1.00 22.33 H new ATOM 1603 N ALA A 104 -11.969 -5.124 6.071 1.00 53.54 N ATOM 1604 CA ALA A 104 -13.025 -4.737 6.998 1.00 2.50 C ATOM 1605 C ALA A 104 -13.348 -3.252 6.827 1.00 1.11 C ATOM 1606 O ALA A 104 -14.516 -2.876 6.780 1.00 42.41 O ATOM 1607 CB ALA A 104 -12.612 -5.061 8.427 1.00 52.11 C ATOM 0 H ALA A 104 -11.105 -5.435 6.516 1.00 53.54 H new ATOM 0 HA ALA A 104 -13.929 -5.305 6.778 1.00 2.50 H new ATOM 0 HB1 ALA A 104 -13.408 -4.768 9.111 1.00 52.11 H new ATOM 0 HB2 ALA A 104 -12.430 -6.132 8.519 1.00 52.11 H new ATOM 0 HB3 ALA A 104 -11.701 -4.516 8.675 1.00 52.11 H new ATOM 1613 N GLU A 105 -12.331 -2.425 6.596 1.00 52.54 N ATOM 1614 CA GLU A 105 -12.490 -1.014 6.275 1.00 41.54 C ATOM 1615 C GLU A 105 -13.404 -0.838 5.060 1.00 50.13 C ATOM 1616 O GLU A 105 -14.434 -0.161 5.118 1.00 72.32 O ATOM 1617 CB GLU A 105 -11.111 -0.413 6.030 1.00 43.12 C ATOM 1618 CG GLU A 105 -10.411 -0.184 7.365 1.00 41.31 C ATOM 1619 CD GLU A 105 -10.946 1.062 8.069 1.00 63.22 C ATOM 1620 OE1 GLU A 105 -10.493 2.174 7.720 1.00 73.13 O ATOM 1621 OE2 GLU A 105 -11.786 0.929 8.990 1.00 25.01 O ATOM 0 H GLU A 105 -11.357 -2.725 6.628 1.00 52.54 H new ATOM 0 HA GLU A 105 -12.963 -0.493 7.107 1.00 41.54 H new ATOM 0 HB2 GLU A 105 -10.517 -1.081 5.406 1.00 43.12 H new ATOM 0 HB3 GLU A 105 -11.204 0.529 5.490 1.00 43.12 H new ATOM 0 HG2 GLU A 105 -10.552 -1.055 8.006 1.00 41.31 H new ATOM 0 HG3 GLU A 105 -9.338 -0.079 7.202 1.00 41.31 H new ATOM 1628 N LEU A 106 -13.083 -1.501 3.946 1.00 12.51 N ATOM 1629 CA LEU A 106 -13.920 -1.466 2.746 1.00 33.02 C ATOM 1630 C LEU A 106 -15.225 -2.252 2.872 1.00 1.20 C ATOM 1631 O LEU A 106 -16.039 -2.200 1.954 1.00 65.13 O ATOM 1632 CB LEU A 106 -13.126 -1.923 1.507 1.00 41.45 C ATOM 1633 CG LEU A 106 -12.732 -0.761 0.570 1.00 74.14 C ATOM 1634 CD1 LEU A 106 -13.867 0.230 0.320 1.00 2.13 C ATOM 1635 CD2 LEU A 106 -11.503 -0.054 1.132 1.00 42.53 C ATOM 0 H LEU A 106 -12.243 -2.072 3.851 1.00 12.51 H new ATOM 0 HA LEU A 106 -14.212 -0.423 2.623 1.00 33.02 H new ATOM 0 HB2 LEU A 106 -12.223 -2.439 1.833 1.00 41.45 H new ATOM 0 HB3 LEU A 106 -13.722 -2.645 0.948 1.00 41.45 H new ATOM 0 HG LEU A 106 -12.501 -1.193 -0.404 1.00 74.14 H new ATOM 0 HD11 LEU A 106 -13.520 1.020 -0.346 1.00 2.13 H new ATOM 0 HD12 LEU A 106 -14.708 -0.289 -0.139 1.00 2.13 H new ATOM 0 HD13 LEU A 106 -14.183 0.667 1.267 1.00 2.13 H new ATOM 0 HD21 LEU A 106 -11.222 0.767 0.472 1.00 42.53 H new ATOM 0 HD22 LEU A 106 -11.730 0.338 2.123 1.00 42.53 H new ATOM 0 HD23 LEU A 106 -10.677 -0.761 1.203 1.00 42.53 H new ATOM 1647 N ALA A 107 -15.495 -2.854 4.023 1.00 5.50 N ATOM 1648 CA ALA A 107 -16.800 -3.375 4.402 1.00 12.11 C ATOM 1649 C ALA A 107 -17.564 -2.487 5.401 1.00 70.41 C ATOM 1650 O ALA A 107 -18.738 -2.761 5.658 1.00 10.24 O ATOM 1651 CB ALA A 107 -16.607 -4.743 5.038 1.00 64.11 C ATOM 0 H ALA A 107 -14.786 -2.997 4.742 1.00 5.50 H new ATOM 0 HA ALA A 107 -17.396 -3.415 3.490 1.00 12.11 H new ATOM 0 HB1 ALA A 107 -17.576 -5.149 5.329 1.00 64.11 H new ATOM 0 HB2 ALA A 107 -16.133 -5.414 4.322 1.00 64.11 H new ATOM 0 HB3 ALA A 107 -15.974 -4.648 5.920 1.00 64.11 H new ATOM 1657 N SER A 108 -16.936 -1.476 6.006 1.00 44.23 N ATOM 1658 CA SER A 108 -17.516 -0.667 7.079 1.00 31.04 C ATOM 1659 C SER A 108 -17.694 0.781 6.640 1.00 70.31 C ATOM 1660 O SER A 108 -18.668 1.420 7.031 1.00 70.25 O ATOM 1661 CB SER A 108 -16.611 -0.763 8.313 1.00 44.42 C ATOM 1662 OG SER A 108 -17.263 -0.332 9.499 1.00 10.52 O ATOM 0 H SER A 108 -15.989 -1.191 5.757 1.00 44.23 H new ATOM 0 HA SER A 108 -18.507 -1.049 7.326 1.00 31.04 H new ATOM 0 HB2 SER A 108 -16.280 -1.794 8.438 1.00 44.42 H new ATOM 0 HB3 SER A 108 -15.718 -0.159 8.153 1.00 44.42 H new ATOM 0 HG SER A 108 -16.648 -0.413 10.258 1.00 10.52 H new ATOM 1668 N ALA A 109 -16.785 1.302 5.816 1.00 70.32 N ATOM 1669 CA ALA A 109 -16.852 2.659 5.295 1.00 2.34 C ATOM 1670 C ALA A 109 -18.103 2.920 4.449 1.00 70.33 C ATOM 1671 O ALA A 109 -18.392 4.081 4.162 1.00 42.25 O ATOM 1672 CB ALA A 109 -15.596 2.955 4.484 1.00 13.21 C ATOM 0 H ALA A 109 -15.971 0.782 5.489 1.00 70.32 H new ATOM 0 HA ALA A 109 -16.916 3.329 6.152 1.00 2.34 H new ATOM 0 HB1 ALA A 109 -15.646 3.971 4.094 1.00 13.21 H new ATOM 0 HB2 ALA A 109 -14.718 2.854 5.123 1.00 13.21 H new ATOM 0 HB3 ALA A 109 -15.524 2.251 3.655 1.00 13.21 H new ATOM 1678 N GLY A 110 -18.827 1.880 4.011 1.00 54.13 N ATOM 1679 CA GLY A 110 -19.905 2.067 3.046 1.00 62.31 C ATOM 1680 C GLY A 110 -19.360 2.583 1.717 1.00 54.42 C ATOM 1681 O GLY A 110 -19.998 3.418 1.069 1.00 42.33 O ATOM 0 H GLY A 110 -18.684 0.915 4.309 1.00 54.13 H new ATOM 0 HA2 GLY A 110 -20.426 1.123 2.888 1.00 62.31 H new ATOM 0 HA3 GLY A 110 -20.636 2.772 3.443 1.00 62.31 H new ATOM 1685 N LYS A 111 -18.160 2.129 1.339 1.00 25.32 N ATOM 1686 CA LYS A 111 -17.529 2.393 0.056 1.00 65.13 C ATOM 1687 C LYS A 111 -17.220 1.048 -0.584 1.00 24.23 C ATOM 1688 O LYS A 111 -17.571 0.005 -0.025 1.00 44.05 O ATOM 1689 CB LYS A 111 -16.243 3.203 0.248 1.00 30.51 C ATOM 1690 CG LYS A 111 -16.378 4.478 1.090 1.00 14.22 C ATOM 1691 CD LYS A 111 -17.283 5.500 0.400 1.00 25.41 C ATOM 1692 CE LYS A 111 -17.213 6.852 1.109 1.00 30.12 C ATOM 1693 NZ LYS A 111 -18.079 7.837 0.440 1.00 25.43 N ATOM 0 H LYS A 111 -17.585 1.546 1.947 1.00 25.32 H new ATOM 0 HA LYS A 111 -18.191 2.977 -0.583 1.00 65.13 H new ATOM 0 HB2 LYS A 111 -15.497 2.560 0.714 1.00 30.51 H new ATOM 0 HB3 LYS A 111 -15.859 3.478 -0.734 1.00 30.51 H new ATOM 0 HG2 LYS A 111 -16.786 4.229 2.070 1.00 14.22 H new ATOM 0 HG3 LYS A 111 -15.393 4.914 1.256 1.00 14.22 H new ATOM 0 HD2 LYS A 111 -16.982 5.614 -0.641 1.00 25.41 H new ATOM 0 HD3 LYS A 111 -18.311 5.139 0.397 1.00 25.41 H new ATOM 0 HE2 LYS A 111 -17.519 6.739 2.149 1.00 30.12 H new ATOM 0 HE3 LYS A 111 -16.184 7.211 1.117 1.00 30.12 H new ATOM 0 HZ1 LYS A 111 -18.017 8.748 0.937 1.00 25.43 H new ATOM 0 HZ2 LYS A 111 -17.770 7.959 -0.545 1.00 25.43 H new ATOM 0 HZ3 LYS A 111 -19.063 7.501 0.455 1.00 25.43 H new ATOM 1707 N SER A 112 -16.515 1.019 -1.715 1.00 62.54 N ATOM 1708 CA SER A 112 -16.064 -0.252 -2.262 1.00 71.44 C ATOM 1709 C SER A 112 -14.755 -0.216 -3.010 1.00 23.40 C ATOM 1710 O SER A 112 -14.303 0.820 -3.490 1.00 52.03 O ATOM 1711 CB SER A 112 -17.186 -0.829 -3.122 1.00 45.31 C ATOM 1712 OG SER A 112 -18.147 -1.434 -2.275 1.00 31.32 O ATOM 0 H SER A 112 -16.251 1.842 -2.256 1.00 62.54 H new ATOM 0 HA SER A 112 -15.844 -0.898 -1.412 1.00 71.44 H new ATOM 0 HB2 SER A 112 -17.649 -0.041 -3.716 1.00 45.31 H new ATOM 0 HB3 SER A 112 -16.786 -1.562 -3.822 1.00 45.31 H new ATOM 0 HG SER A 112 -17.999 -1.142 -1.351 1.00 31.32 H new ATOM 1718 N ARG A 113 -14.127 -1.396 -3.070 1.00 21.44 N ATOM 1719 CA ARG A 113 -13.001 -1.594 -3.956 1.00 3.00 C ATOM 1720 C ARG A 113 -13.479 -1.332 -5.368 1.00 45.35 C ATOM 1721 O ARG A 113 -12.787 -0.625 -6.094 1.00 71.33 O ATOM 1722 CB ARG A 113 -12.436 -3.016 -3.885 1.00 34.20 C ATOM 1723 CG ARG A 113 -11.799 -3.417 -2.545 1.00 70.31 C ATOM 1724 CD ARG A 113 -10.766 -4.539 -2.754 1.00 32.23 C ATOM 1725 NE ARG A 113 -9.660 -4.092 -3.625 1.00 74.53 N ATOM 1726 CZ ARG A 113 -8.793 -4.857 -4.295 1.00 25.55 C ATOM 1727 NH1 ARG A 113 -8.794 -6.182 -4.177 1.00 11.41 N ATOM 1728 NH2 ARG A 113 -7.922 -4.258 -5.095 1.00 72.22 N ATOM 0 H ARG A 113 -14.385 -2.214 -2.517 1.00 21.44 H new ATOM 0 HA ARG A 113 -12.204 -0.914 -3.655 1.00 3.00 H new ATOM 0 HB2 ARG A 113 -13.240 -3.718 -4.108 1.00 34.20 H new ATOM 0 HB3 ARG A 113 -11.688 -3.129 -4.670 1.00 34.20 H new ATOM 0 HG2 ARG A 113 -11.317 -2.551 -2.091 1.00 70.31 H new ATOM 0 HG3 ARG A 113 -12.572 -3.751 -1.853 1.00 70.31 H new ATOM 0 HD2 ARG A 113 -10.368 -4.855 -1.790 1.00 32.23 H new ATOM 0 HD3 ARG A 113 -11.253 -5.407 -3.197 1.00 32.23 H new ATOM 0 HE ARG A 113 -9.545 -3.084 -3.727 1.00 74.53 H new ATOM 0 HH11 ARG A 113 -9.468 -6.639 -3.563 1.00 11.41 H new ATOM 0 HH12 ARG A 113 -8.121 -6.741 -4.701 1.00 11.41 H new ATOM 0 HH21 ARG A 113 -7.927 -3.242 -5.185 1.00 72.22 H new ATOM 0 HH22 ARG A 113 -7.247 -4.813 -5.621 1.00 72.22 H new ATOM 1742 N ASP A 114 -14.606 -1.929 -5.748 1.00 30.24 N ATOM 1743 CA ASP A 114 -15.100 -1.815 -7.112 1.00 72.55 C ATOM 1744 C ASP A 114 -15.402 -0.347 -7.389 1.00 50.43 C ATOM 1745 O ASP A 114 -15.862 0.354 -6.477 1.00 73.31 O ATOM 1746 CB ASP A 114 -16.364 -2.649 -7.327 1.00 32.41 C ATOM 1747 CG ASP A 114 -16.090 -3.940 -8.084 1.00 24.20 C ATOM 1748 OD1 ASP A 114 -15.760 -3.888 -9.292 1.00 61.34 O ATOM 1749 OD2 ASP A 114 -16.248 -5.018 -7.475 1.00 24.31 O ATOM 0 H ASP A 114 -15.190 -2.494 -5.131 1.00 30.24 H new ATOM 0 HA ASP A 114 -14.339 -2.192 -7.795 1.00 72.55 H new ATOM 0 HB2 ASP A 114 -16.808 -2.886 -6.360 1.00 32.41 H new ATOM 0 HB3 ASP A 114 -17.096 -2.058 -7.877 1.00 32.41 H new ATOM 1754 N PRO A 115 -15.189 0.124 -8.628 1.00 13.12 N ATOM 1755 CA PRO A 115 -15.362 1.525 -8.961 1.00 42.33 C ATOM 1756 C PRO A 115 -16.809 1.956 -8.773 1.00 51.03 C ATOM 1757 O PRO A 115 -17.064 3.029 -8.219 1.00 73.12 O ATOM 1758 CB PRO A 115 -14.866 1.669 -10.405 1.00 25.20 C ATOM 1759 CG PRO A 115 -14.998 0.268 -10.995 1.00 71.44 C ATOM 1760 CD PRO A 115 -14.784 -0.645 -9.793 1.00 41.05 C ATOM 0 HA PRO A 115 -14.794 2.183 -8.303 1.00 42.33 H new ATOM 0 HB2 PRO A 115 -15.464 2.392 -10.960 1.00 25.20 H new ATOM 0 HB3 PRO A 115 -13.834 2.018 -10.437 1.00 25.20 H new ATOM 0 HG2 PRO A 115 -15.978 0.113 -11.447 1.00 71.44 H new ATOM 0 HG3 PRO A 115 -14.256 0.088 -11.773 1.00 71.44 H new ATOM 0 HD2 PRO A 115 -15.376 -1.556 -9.884 1.00 41.05 H new ATOM 0 HD3 PRO A 115 -13.740 -0.950 -9.716 1.00 41.05 H new ATOM 1768 N ASP A 116 -17.742 1.077 -9.119 1.00 72.41 N ATOM 1769 CA ASP A 116 -19.170 1.286 -8.986 1.00 43.13 C ATOM 1770 C ASP A 116 -19.775 -0.018 -8.484 1.00 1.00 C ATOM 1771 O ASP A 116 -20.351 -0.795 -9.245 1.00 73.35 O ATOM 1772 CB ASP A 116 -19.739 1.725 -10.335 1.00 1.10 C ATOM 1773 CG ASP A 116 -21.162 2.243 -10.178 1.00 43.23 C ATOM 1774 OD1 ASP A 116 -22.119 1.440 -10.242 1.00 44.14 O ATOM 1775 OD2 ASP A 116 -21.290 3.479 -10.044 1.00 52.01 O ATOM 0 H ASP A 116 -17.511 0.166 -9.515 1.00 72.41 H new ATOM 0 HA ASP A 116 -19.409 2.075 -8.273 1.00 43.13 H new ATOM 0 HB2 ASP A 116 -19.109 2.504 -10.765 1.00 1.10 H new ATOM 0 HB3 ASP A 116 -19.727 0.886 -11.030 1.00 1.10 H new ATOM 1780 N GLU A 117 -19.505 -0.366 -7.226 1.00 13.34 N ATOM 1781 CA GLU A 117 -20.259 -1.424 -6.582 1.00 14.03 C ATOM 1782 C GLU A 117 -21.679 -0.935 -6.292 1.00 50.11 C ATOM 1783 O GLU A 117 -21.875 0.203 -5.860 1.00 32.14 O ATOM 1784 CB GLU A 117 -19.560 -1.891 -5.296 1.00 53.24 C ATOM 1785 CG GLU A 117 -19.865 -3.379 -5.119 1.00 12.22 C ATOM 1786 CD GLU A 117 -19.147 -4.063 -3.951 1.00 70.42 C ATOM 1787 OE1 GLU A 117 -17.951 -4.411 -4.118 1.00 33.14 O ATOM 1788 OE2 GLU A 117 -19.810 -4.405 -2.947 1.00 65.52 O ATOM 0 H GLU A 117 -18.783 0.064 -6.648 1.00 13.34 H new ATOM 0 HA GLU A 117 -20.313 -2.282 -7.252 1.00 14.03 H new ATOM 0 HB2 GLU A 117 -18.485 -1.726 -5.363 1.00 53.24 H new ATOM 0 HB3 GLU A 117 -19.917 -1.322 -4.438 1.00 53.24 H new ATOM 0 HG2 GLU A 117 -20.940 -3.498 -4.983 1.00 12.22 H new ATOM 0 HG3 GLU A 117 -19.601 -3.899 -6.040 1.00 12.22 H new ATOM 1795 N SER A 118 -22.666 -1.809 -6.455 1.00 5.42 N ATOM 1796 CA SER A 118 -24.072 -1.540 -6.220 1.00 42.43 C ATOM 1797 C SER A 118 -24.534 -2.404 -5.047 1.00 74.14 C ATOM 1798 O SER A 118 -25.466 -3.195 -5.176 1.00 13.30 O ATOM 1799 CB SER A 118 -24.812 -1.756 -7.547 1.00 64.44 C ATOM 1800 OG SER A 118 -26.147 -1.306 -7.496 1.00 51.15 O ATOM 0 H SER A 118 -22.496 -2.765 -6.768 1.00 5.42 H new ATOM 0 HA SER A 118 -24.285 -0.513 -5.922 1.00 42.43 H new ATOM 0 HB2 SER A 118 -24.285 -1.231 -8.344 1.00 64.44 H new ATOM 0 HB3 SER A 118 -24.798 -2.816 -7.800 1.00 64.44 H new ATOM 0 HG SER A 118 -26.578 -1.462 -8.362 1.00 51.15 H new ATOM 1806 N VAL A 119 -23.867 -2.289 -3.889 1.00 74.51 N ATOM 1807 CA VAL A 119 -24.253 -3.015 -2.679 1.00 50.13 C ATOM 1808 C VAL A 119 -24.019 -2.145 -1.444 1.00 32.12 C ATOM 1809 O VAL A 119 -22.908 -1.669 -1.201 1.00 1.13 O ATOM 1810 CB VAL A 119 -23.514 -4.367 -2.545 1.00 71.44 C ATOM 1811 CG1 VAL A 119 -24.235 -5.254 -1.517 1.00 24.43 C ATOM 1812 CG2 VAL A 119 -23.435 -5.175 -3.847 1.00 54.25 C ATOM 0 H VAL A 119 -23.049 -1.692 -3.769 1.00 74.51 H new ATOM 0 HA VAL A 119 -25.316 -3.242 -2.759 1.00 50.13 H new ATOM 0 HB VAL A 119 -22.499 -4.107 -2.243 1.00 71.44 H new ATOM 0 HG11 VAL A 119 -23.711 -6.205 -1.426 1.00 24.43 H new ATOM 0 HG12 VAL A 119 -24.248 -4.753 -0.549 1.00 24.43 H new ATOM 0 HG13 VAL A 119 -25.259 -5.434 -1.846 1.00 24.43 H new ATOM 0 HG21 VAL A 119 -22.901 -6.108 -3.665 1.00 54.25 H new ATOM 0 HG22 VAL A 119 -24.442 -5.396 -4.200 1.00 54.25 H new ATOM 0 HG23 VAL A 119 -22.905 -4.596 -4.603 1.00 54.25 H new ATOM 1822 N VAL A 120 -25.063 -1.996 -0.633 1.00 70.35 N ATOM 1823 CA VAL A 120 -25.051 -1.560 0.754 1.00 25.51 C ATOM 1824 C VAL A 120 -26.229 -2.268 1.443 1.00 23.43 C ATOM 1825 O VAL A 120 -27.048 -2.909 0.773 1.00 31.33 O ATOM 1826 CB VAL A 120 -25.057 -0.019 0.827 1.00 5.32 C ATOM 1827 CG1 VAL A 120 -26.347 0.612 0.293 1.00 5.43 C ATOM 1828 CG2 VAL A 120 -24.776 0.506 2.241 1.00 12.12 C ATOM 0 H VAL A 120 -26.010 -2.193 -0.957 1.00 70.35 H new ATOM 0 HA VAL A 120 -24.143 -1.838 1.289 1.00 25.51 H new ATOM 0 HB VAL A 120 -24.241 0.286 0.172 1.00 5.32 H new ATOM 0 HG11 VAL A 120 -26.282 1.697 0.375 1.00 5.43 H new ATOM 0 HG12 VAL A 120 -26.482 0.334 -0.752 1.00 5.43 H new ATOM 0 HG13 VAL A 120 -27.196 0.254 0.876 1.00 5.43 H new ATOM 0 HG21 VAL A 120 -24.792 1.596 2.234 1.00 12.12 H new ATOM 0 HG22 VAL A 120 -25.540 0.136 2.925 1.00 12.12 H new ATOM 0 HG23 VAL A 120 -23.796 0.160 2.570 1.00 12.12 H new ATOM 1838 N LYS A 121 -26.292 -2.265 2.778 1.00 42.13 N ATOM 1839 CA LYS A 121 -27.448 -2.791 3.529 1.00 45.33 C ATOM 1840 C LYS A 121 -28.189 -1.713 4.316 1.00 14.11 C ATOM 1841 O LYS A 121 -29.312 -1.950 4.762 1.00 50.41 O ATOM 1842 CB LYS A 121 -27.004 -3.940 4.447 1.00 73.31 C ATOM 1843 CG LYS A 121 -26.279 -3.462 5.722 1.00 71.22 C ATOM 1844 CD LYS A 121 -25.157 -4.405 6.156 1.00 25.22 C ATOM 1845 CE LYS A 121 -23.993 -4.263 5.169 1.00 61.35 C ATOM 1846 NZ LYS A 121 -22.795 -4.988 5.615 1.00 13.41 N ATOM 0 H LYS A 121 -25.548 -1.900 3.372 1.00 42.13 H new ATOM 0 HA LYS A 121 -28.160 -3.172 2.797 1.00 45.33 H new ATOM 0 HB2 LYS A 121 -27.878 -4.525 4.733 1.00 73.31 H new ATOM 0 HB3 LYS A 121 -26.344 -4.605 3.890 1.00 73.31 H new ATOM 0 HG2 LYS A 121 -25.865 -2.469 5.548 1.00 71.22 H new ATOM 0 HG3 LYS A 121 -27.002 -3.369 6.532 1.00 71.22 H new ATOM 0 HD2 LYS A 121 -24.828 -4.163 7.167 1.00 25.22 H new ATOM 0 HD3 LYS A 121 -25.514 -5.435 6.175 1.00 25.22 H new ATOM 0 HE2 LYS A 121 -24.299 -4.637 4.192 1.00 61.35 H new ATOM 0 HE3 LYS A 121 -23.751 -3.207 5.044 1.00 61.35 H new ATOM 0 HZ1 LYS A 121 -22.034 -4.864 4.917 1.00 13.41 H new ATOM 0 HZ2 LYS A 121 -22.485 -4.614 6.535 1.00 13.41 H new ATOM 0 HZ3 LYS A 121 -23.016 -6.000 5.709 1.00 13.41 H new ATOM 1860 N LEU A 122 -27.550 -0.567 4.543 1.00 52.22 N ATOM 1861 CA LEU A 122 -28.119 0.556 5.266 1.00 51.12 C ATOM 1862 C LEU A 122 -28.802 1.498 4.273 1.00 45.11 C ATOM 1863 O LEU A 122 -28.739 1.281 3.063 1.00 72.41 O ATOM 1864 CB LEU A 122 -27.006 1.277 6.042 1.00 52.33 C ATOM 1865 CG LEU A 122 -27.522 1.792 7.398 1.00 13.03 C ATOM 1866 CD1 LEU A 122 -27.393 0.718 8.482 1.00 43.15 C ATOM 1867 CD2 LEU A 122 -26.740 3.027 7.814 1.00 61.34 C ATOM 0 H LEU A 122 -26.598 -0.395 4.219 1.00 52.22 H new ATOM 0 HA LEU A 122 -28.865 0.209 5.981 1.00 51.12 H new ATOM 0 HB2 LEU A 122 -26.170 0.596 6.202 1.00 52.33 H new ATOM 0 HB3 LEU A 122 -26.629 2.112 5.452 1.00 52.33 H new ATOM 0 HG LEU A 122 -28.576 2.044 7.284 1.00 13.03 H new ATOM 0 HD11 LEU A 122 -27.765 1.110 9.429 1.00 43.15 H new ATOM 0 HD12 LEU A 122 -27.976 -0.158 8.198 1.00 43.15 H new ATOM 0 HD13 LEU A 122 -26.346 0.436 8.592 1.00 43.15 H new ATOM 0 HD21 LEU A 122 -27.110 3.386 8.774 1.00 61.34 H new ATOM 0 HD22 LEU A 122 -25.683 2.775 7.904 1.00 61.34 H new ATOM 0 HD23 LEU A 122 -26.865 3.807 7.063 1.00 61.34 H new ATOM 1879 N MET A 123 -29.416 2.563 4.785 1.00 14.30 N ATOM 1880 CA MET A 123 -30.108 3.584 4.003 1.00 1.12 C ATOM 1881 C MET A 123 -29.747 4.992 4.515 1.00 23.52 C ATOM 1882 O MET A 123 -30.496 5.938 4.295 1.00 74.44 O ATOM 1883 CB MET A 123 -31.618 3.277 4.041 1.00 53.42 C ATOM 1884 CG MET A 123 -32.374 3.853 2.836 1.00 5.43 C ATOM 1885 SD MET A 123 -34.144 3.448 2.777 1.00 14.24 S ATOM 1886 CE MET A 123 -34.085 1.663 2.461 1.00 52.13 C ATOM 0 H MET A 123 -29.446 2.744 5.788 1.00 14.30 H new ATOM 0 HA MET A 123 -29.791 3.566 2.960 1.00 1.12 H new ATOM 0 HB2 MET A 123 -31.764 2.197 4.073 1.00 53.42 H new ATOM 0 HB3 MET A 123 -32.043 3.683 4.959 1.00 53.42 H new ATOM 0 HG2 MET A 123 -32.265 4.937 2.842 1.00 5.43 H new ATOM 0 HG3 MET A 123 -31.903 3.490 1.923 1.00 5.43 H new ATOM 0 HE1 MET A 123 -35.083 1.306 2.206 1.00 52.13 H new ATOM 0 HE2 MET A 123 -33.405 1.462 1.633 1.00 52.13 H new ATOM 0 HE3 MET A 123 -33.732 1.147 3.354 1.00 52.13 H new ATOM 1896 N LEU A 124 -28.625 5.126 5.236 1.00 52.15 N ATOM 1897 CA LEU A 124 -28.054 6.377 5.728 1.00 20.22 C ATOM 1898 C LEU A 124 -26.566 6.325 5.441 1.00 75.45 C ATOM 1899 O LEU A 124 -25.932 7.398 5.436 1.00 74.33 O ATOM 1900 CB LEU A 124 -28.269 6.574 7.244 1.00 44.22 C ATOM 1901 CG LEU A 124 -29.730 6.643 7.714 1.00 22.10 C ATOM 1902 CD1 LEU A 124 -29.760 6.632 9.247 1.00 52.22 C ATOM 1903 CD2 LEU A 124 -30.433 7.900 7.197 1.00 32.12 C ATOM 0 H LEU A 124 -28.065 4.317 5.504 1.00 52.15 H new ATOM 0 HA LEU A 124 -28.547 7.212 5.230 1.00 20.22 H new ATOM 0 HB2 LEU A 124 -27.777 5.756 7.770 1.00 44.22 H new ATOM 0 HB3 LEU A 124 -27.767 7.494 7.545 1.00 44.22 H new ATOM 0 HG LEU A 124 -30.260 5.779 7.314 1.00 22.10 H new ATOM 0 HD11 LEU A 124 -30.793 6.681 9.591 1.00 52.22 H new ATOM 0 HD12 LEU A 124 -29.298 5.715 9.613 1.00 52.22 H new ATOM 0 HD13 LEU A 124 -29.210 7.492 9.628 1.00 52.22 H new ATOM 0 HD21 LEU A 124 -31.464 7.912 7.551 1.00 32.12 H new ATOM 0 HD22 LEU A 124 -29.913 8.785 7.564 1.00 32.12 H new ATOM 0 HD23 LEU A 124 -30.424 7.900 6.107 1.00 32.12 H new TER 1915 LEU A 124