USER MOD reduce.3.24.130724 H: found=0, std=0, add=1114, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1109 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 105 HIS : no HE2:sc= -0.811 K(o=-0.81,f=-5.4!) USER MOD Set 1.2: A 116 LYS NZ :NH3+ -163:sc= 0 (180deg=0) USER MOD Set 2.1: A 13 MET CE :methyl -121:sc= -0.0236 (180deg=-0.881) USER MOD Set 2.2: A 32 THR OG1 : rot 180:sc= -0.0582 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0664 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -114:sc= 0.635 (180deg=0) USER MOD Single : A 15 SER OG : rot -108:sc= 0.87 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -1.5 X(o=-1.5,f=-1.5) USER MOD Single : A 20 ASN : amide:sc= -1.28 X(o=-1.3,f=-1.5) USER MOD Single : A 24 SER OG : rot -140:sc= -1.36 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 26 GLN : amide:sc= -0.016 X(o=-0.016,f=-0.26) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 60:sc= -0.904 USER MOD Single : A 33 THR OG1 : rot 180:sc= -1.23 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN :FLIP amide:sc= -8.38! C(o=-9!,f=-8.4!) USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 0.885 (180deg=0.686) USER MOD Single : A 41 ASN : amide:sc= -5.29! C(o=-5.3!,f=-18!) USER MOD Single : A 47 SER OG : rot -92:sc= 1.11 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 122:sc= 0.102 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HD1:sc= -1.07 K(o=-1.1,f=-2.8) USER MOD Single : A 63 GLN : amide:sc= 0.079 K(o=0.079,f=-6.8!) USER MOD Single : A 66 SER OG : rot -112:sc= 1.3 USER MOD Single : A 68 MET CE :methyl 176:sc= -0.859 (180deg=-0.924) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0.00309 USER MOD Single : A 102 GLN : amide:sc= -0.0291 K(o=-0.029,f=-0.73) USER MOD Single : A 106 HIS : no HD1:sc= -4.47 K(o=-4.5,f=-6.9!) USER MOD Single : A 109 ASN : amide:sc= -0.947 X(o=-0.95,f=-1.3) USER MOD Single : A 112 ASN : amide:sc= -0.0549 X(o=-0.055,f=-0.054) USER MOD Single : A 114 ASN :FLIP amide:sc= -2.87! C(o=-3.9!,f=-2.9!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -2.91! C(o=-2.9!,f=-5.5!) USER MOD Single : A 120 SER OG : rot 90:sc= 0.209 USER MOD Single : A 124 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.8!) USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 133 GLN : amide:sc= -3.33! X(o=-3.3!,f=-3.1) USER MOD Single : A 136 GLN : amide:sc= -2.97! C(o=-3!,f=-6.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.626 -21.781 10.690 1.00 0.00 N ATOM 2 CA GLY A 1 -17.350 -20.517 10.032 1.00 0.00 C ATOM 3 C GLY A 1 -17.968 -19.339 10.758 1.00 0.00 C ATOM 4 O GLY A 1 -17.805 -19.192 11.970 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.182 -22.555 10.155 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.240 -21.761 11.655 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.654 -21.934 10.731 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.272 -20.374 9.965 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.731 -20.551 9.011 1.00 0.00 H new ATOM 8 N SER A 2 -18.679 -18.495 10.017 1.00 0.00 N ATOM 9 CA SER A 2 -19.320 -17.321 10.597 1.00 0.00 C ATOM 10 C SER A 2 -18.279 -16.291 11.026 1.00 0.00 C ATOM 11 O SER A 2 -18.306 -15.796 12.152 1.00 0.00 O ATOM 12 CB SER A 2 -20.180 -17.722 11.796 1.00 0.00 C ATOM 13 OG SER A 2 -21.206 -16.773 12.028 1.00 0.00 O ATOM 0 H SER A 2 -18.826 -18.603 9.013 1.00 0.00 H new ATOM 0 HA SER A 2 -19.958 -16.873 9.835 1.00 0.00 H new ATOM 0 HB2 SER A 2 -20.621 -18.703 11.619 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.554 -17.809 12.684 1.00 0.00 H new ATOM 0 HG SER A 2 -21.743 -17.053 12.799 1.00 0.00 H new ATOM 19 N SER A 3 -17.361 -15.973 10.118 1.00 0.00 N ATOM 20 CA SER A 3 -16.308 -15.006 10.402 1.00 0.00 C ATOM 21 C SER A 3 -16.893 -13.613 10.617 1.00 0.00 C ATOM 22 O SER A 3 -16.561 -12.930 11.585 1.00 0.00 O ATOM 23 CB SER A 3 -15.293 -14.974 9.258 1.00 0.00 C ATOM 24 OG SER A 3 -15.914 -14.618 8.035 1.00 0.00 O ATOM 0 H SER A 3 -17.326 -16.371 9.180 1.00 0.00 H new ATOM 0 HA SER A 3 -15.803 -15.315 11.317 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.502 -14.260 9.489 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.821 -15.952 9.159 1.00 0.00 H new ATOM 0 HG SER A 3 -15.244 -14.603 7.320 1.00 0.00 H new ATOM 30 N GLY A 4 -17.767 -13.198 9.705 1.00 0.00 N ATOM 31 CA GLY A 4 -18.385 -11.890 9.811 1.00 0.00 C ATOM 32 C GLY A 4 -17.914 -10.937 8.730 1.00 0.00 C ATOM 33 O GLY A 4 -18.261 -11.094 7.559 1.00 0.00 O ATOM 0 H GLY A 4 -18.058 -13.745 8.895 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -19.468 -11.997 9.750 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.162 -11.464 10.789 1.00 0.00 H new ATOM 37 N SER A 5 -17.123 -9.943 9.123 1.00 0.00 N ATOM 38 CA SER A 5 -16.609 -8.958 8.180 1.00 0.00 C ATOM 39 C SER A 5 -16.228 -9.617 6.858 1.00 0.00 C ATOM 40 O SER A 5 -15.958 -10.817 6.805 1.00 0.00 O ATOM 41 CB SER A 5 -15.395 -8.239 8.772 1.00 0.00 C ATOM 42 OG SER A 5 -15.795 -7.196 9.645 1.00 0.00 O ATOM 0 H SER A 5 -16.825 -9.799 10.088 1.00 0.00 H new ATOM 0 HA SER A 5 -17.397 -8.230 7.989 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.774 -8.953 9.314 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.783 -7.830 7.968 1.00 0.00 H new ATOM 0 HG SER A 5 -15.001 -6.753 10.011 1.00 0.00 H new ATOM 48 N SER A 6 -16.208 -8.824 5.792 1.00 0.00 N ATOM 49 CA SER A 6 -15.865 -9.330 4.468 1.00 0.00 C ATOM 50 C SER A 6 -15.467 -8.190 3.536 1.00 0.00 C ATOM 51 O SER A 6 -16.314 -7.424 3.078 1.00 0.00 O ATOM 52 CB SER A 6 -17.043 -10.103 3.873 1.00 0.00 C ATOM 53 OG SER A 6 -16.691 -10.695 2.634 1.00 0.00 O ATOM 0 H SER A 6 -16.425 -7.828 5.819 1.00 0.00 H new ATOM 0 HA SER A 6 -15.014 -10.003 4.573 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.364 -10.876 4.571 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.889 -9.430 3.731 1.00 0.00 H new ATOM 0 HG SER A 6 -17.460 -11.185 2.275 1.00 0.00 H new ATOM 59 N GLY A 7 -14.170 -8.084 3.260 1.00 0.00 N ATOM 60 CA GLY A 7 -13.682 -7.034 2.385 1.00 0.00 C ATOM 61 C GLY A 7 -12.177 -6.868 2.463 1.00 0.00 C ATOM 62 O GLY A 7 -11.526 -7.445 3.334 1.00 0.00 O ATOM 0 H GLY A 7 -13.450 -8.706 3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.967 -7.260 1.357 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.163 -6.092 2.649 1.00 0.00 H new ATOM 66 N VAL A 8 -11.622 -6.077 1.550 1.00 0.00 N ATOM 67 CA VAL A 8 -10.185 -5.837 1.519 1.00 0.00 C ATOM 68 C VAL A 8 -9.824 -4.562 2.274 1.00 0.00 C ATOM 69 O VAL A 8 -10.555 -3.573 2.226 1.00 0.00 O ATOM 70 CB VAL A 8 -9.665 -5.728 0.073 1.00 0.00 C ATOM 71 CG1 VAL A 8 -10.622 -4.908 -0.778 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.269 -5.125 0.053 1.00 0.00 C ATOM 0 H VAL A 8 -12.146 -5.592 0.822 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.711 -6.690 2.005 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.608 -6.731 -0.351 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -10.238 -4.842 -1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -11.601 -5.388 -0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -10.714 -3.906 -0.359 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.917 -5.055 -0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.296 -4.129 0.495 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.591 -5.758 0.626 1.00 0.00 H new ATOM 82 N ARG A 9 -8.692 -4.594 2.970 1.00 0.00 N ATOM 83 CA ARG A 9 -8.235 -3.441 3.736 1.00 0.00 C ATOM 84 C ARG A 9 -7.124 -2.701 2.995 1.00 0.00 C ATOM 85 O ARG A 9 -6.166 -3.313 2.522 1.00 0.00 O ATOM 86 CB ARG A 9 -7.736 -3.882 5.113 1.00 0.00 C ATOM 87 CG ARG A 9 -7.946 -2.840 6.200 1.00 0.00 C ATOM 88 CD ARG A 9 -9.292 -3.012 6.885 1.00 0.00 C ATOM 89 NE ARG A 9 -10.372 -2.371 6.139 1.00 0.00 N ATOM 90 CZ ARG A 9 -11.650 -2.716 6.253 1.00 0.00 C ATOM 91 NH1 ARG A 9 -12.005 -3.690 7.078 1.00 0.00 N ATOM 92 NH2 ARG A 9 -12.574 -2.085 5.540 1.00 0.00 N ATOM 0 H ARG A 9 -8.075 -5.405 3.019 1.00 0.00 H new ATOM 0 HA ARG A 9 -9.079 -2.763 3.862 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.248 -4.801 5.399 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.674 -4.117 5.047 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -7.148 -2.918 6.939 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.882 -1.842 5.766 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -9.509 -4.074 6.996 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -9.244 -2.590 7.889 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.132 -1.617 5.495 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -11.297 -4.177 7.627 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -12.987 -3.953 7.164 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -12.303 -1.335 4.904 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -13.555 -2.350 5.628 1.00 0.00 H new ATOM 106 N TYR A 10 -7.262 -1.384 2.897 1.00 0.00 N ATOM 107 CA TYR A 10 -6.272 -0.561 2.211 1.00 0.00 C ATOM 108 C TYR A 10 -5.244 -0.011 3.195 1.00 0.00 C ATOM 109 O TYR A 10 -5.566 0.286 4.346 1.00 0.00 O ATOM 110 CB TYR A 10 -6.958 0.591 1.475 1.00 0.00 C ATOM 111 CG TYR A 10 -7.965 0.136 0.443 1.00 0.00 C ATOM 112 CD1 TYR A 10 -9.188 -0.401 0.826 1.00 0.00 C ATOM 113 CD2 TYR A 10 -7.694 0.244 -0.916 1.00 0.00 C ATOM 114 CE1 TYR A 10 -10.111 -0.818 -0.114 1.00 0.00 C ATOM 115 CE2 TYR A 10 -8.611 -0.170 -1.863 1.00 0.00 C ATOM 116 CZ TYR A 10 -9.818 -0.701 -1.457 1.00 0.00 C ATOM 117 OH TYR A 10 -10.734 -1.114 -2.396 1.00 0.00 O ATOM 0 H TYR A 10 -8.049 -0.863 3.283 1.00 0.00 H new ATOM 0 HA TYR A 10 -5.754 -1.189 1.486 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -7.459 1.229 2.203 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -6.199 1.201 0.985 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.421 -0.494 1.876 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.750 0.659 -1.237 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -11.057 -1.233 0.201 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.384 -0.078 -2.915 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.373 -0.962 -3.294 1.00 0.00 H new ATOM 127 N PHE A 11 -4.006 0.124 2.733 1.00 0.00 N ATOM 128 CA PHE A 11 -2.929 0.638 3.571 1.00 0.00 C ATOM 129 C PHE A 11 -1.943 1.460 2.746 1.00 0.00 C ATOM 130 O PHE A 11 -1.681 1.150 1.583 1.00 0.00 O ATOM 131 CB PHE A 11 -2.197 -0.514 4.262 1.00 0.00 C ATOM 132 CG PHE A 11 -3.071 -1.307 5.192 1.00 0.00 C ATOM 133 CD1 PHE A 11 -3.527 -0.752 6.377 1.00 0.00 C ATOM 134 CD2 PHE A 11 -3.435 -2.607 4.881 1.00 0.00 C ATOM 135 CE1 PHE A 11 -4.331 -1.479 7.235 1.00 0.00 C ATOM 136 CE2 PHE A 11 -4.239 -3.338 5.735 1.00 0.00 C ATOM 137 CZ PHE A 11 -4.687 -2.774 6.913 1.00 0.00 C ATOM 0 H PHE A 11 -3.723 -0.115 1.783 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.370 1.285 4.329 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -1.788 -1.181 3.503 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -1.353 -0.113 4.823 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.251 0.260 6.633 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -3.087 -3.054 3.962 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.680 -1.035 8.156 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -4.517 -4.350 5.481 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.315 -3.345 7.581 1.00 0.00 H new ATOM 147 N ILE A 12 -1.400 2.508 3.355 1.00 0.00 N ATOM 148 CA ILE A 12 -0.442 3.374 2.678 1.00 0.00 C ATOM 149 C ILE A 12 0.984 3.069 3.123 1.00 0.00 C ATOM 150 O ILE A 12 1.337 3.262 4.286 1.00 0.00 O ATOM 151 CB ILE A 12 -0.744 4.861 2.941 1.00 0.00 C ATOM 152 CG1 ILE A 12 -2.097 5.244 2.338 1.00 0.00 C ATOM 153 CG2 ILE A 12 0.363 5.735 2.371 1.00 0.00 C ATOM 154 CD1 ILE A 12 -2.082 5.331 0.828 1.00 0.00 C ATOM 0 H ILE A 12 -1.607 2.779 4.316 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.537 3.176 1.610 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.789 5.022 4.018 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.843 4.511 2.644 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -2.409 6.205 2.746 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.135 6.783 2.565 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.311 5.476 2.843 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.437 5.573 1.296 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -3.074 5.607 0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.360 6.085 0.514 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.801 4.364 0.411 1.00 0.00 H new ATOM 166 N MET A 13 1.801 2.594 2.188 1.00 0.00 N ATOM 167 CA MET A 13 3.191 2.266 2.483 1.00 0.00 C ATOM 168 C MET A 13 4.138 3.245 1.796 1.00 0.00 C ATOM 169 O MET A 13 4.227 3.280 0.568 1.00 0.00 O ATOM 170 CB MET A 13 3.505 0.836 2.037 1.00 0.00 C ATOM 171 CG MET A 13 2.379 -0.147 2.312 1.00 0.00 C ATOM 172 SD MET A 13 1.482 0.230 3.830 1.00 0.00 S ATOM 173 CE MET A 13 2.541 -0.542 5.051 1.00 0.00 C ATOM 0 H MET A 13 1.524 2.428 1.220 1.00 0.00 H new ATOM 0 HA MET A 13 3.336 2.343 3.561 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.723 0.837 0.969 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.406 0.495 2.546 1.00 0.00 H new ATOM 0 HG2 MET A 13 1.684 -0.141 1.473 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.790 -1.155 2.378 1.00 0.00 H new ATOM 0 HE1 MET A 13 1.974 -1.293 5.602 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.385 -1.018 4.552 1.00 0.00 H new ATOM 0 HE3 MET A 13 2.909 0.215 5.744 1.00 0.00 H new ATOM 183 N LYS A 14 4.843 4.038 2.595 1.00 0.00 N ATOM 184 CA LYS A 14 5.784 5.017 2.065 1.00 0.00 C ATOM 185 C LYS A 14 7.176 4.410 1.918 1.00 0.00 C ATOM 186 O LYS A 14 7.575 3.551 2.705 1.00 0.00 O ATOM 187 CB LYS A 14 5.845 6.243 2.978 1.00 0.00 C ATOM 188 CG LYS A 14 4.481 6.725 3.442 1.00 0.00 C ATOM 189 CD LYS A 14 3.690 7.343 2.301 1.00 0.00 C ATOM 190 CE LYS A 14 4.011 8.821 2.138 1.00 0.00 C ATOM 191 NZ LYS A 14 3.125 9.676 2.976 1.00 0.00 N ATOM 0 H LYS A 14 4.780 4.022 3.613 1.00 0.00 H new ATOM 0 HA LYS A 14 5.434 5.323 1.079 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.453 6.006 3.851 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.347 7.054 2.450 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.922 5.889 3.862 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.605 7.458 4.239 1.00 0.00 H new ATOM 0 HD2 LYS A 14 3.915 6.816 1.374 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.623 7.219 2.487 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.051 8.999 2.410 1.00 0.00 H new ATOM 0 HE3 LYS A 14 3.903 9.103 1.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.517 10.254 2.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.532 9.073 3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 3.706 10.299 3.572 1.00 0.00 H new ATOM 205 N SER A 15 7.911 4.863 0.907 1.00 0.00 N ATOM 206 CA SER A 15 9.257 4.362 0.657 1.00 0.00 C ATOM 207 C SER A 15 10.256 5.512 0.562 1.00 0.00 C ATOM 208 O SER A 15 9.968 6.551 -0.031 1.00 0.00 O ATOM 209 CB SER A 15 9.286 3.539 -0.633 1.00 0.00 C ATOM 210 OG SER A 15 10.552 2.930 -0.821 1.00 0.00 O ATOM 0 H SER A 15 7.597 5.576 0.248 1.00 0.00 H new ATOM 0 HA SER A 15 9.542 3.724 1.494 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.512 2.772 -0.596 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.058 4.182 -1.483 1.00 0.00 H new ATOM 0 HG SER A 15 11.028 3.382 -1.549 1.00 0.00 H new ATOM 216 N SER A 16 11.431 5.317 1.152 1.00 0.00 N ATOM 217 CA SER A 16 12.471 6.338 1.139 1.00 0.00 C ATOM 218 C SER A 16 12.880 6.678 -0.291 1.00 0.00 C ATOM 219 O SER A 16 12.874 7.842 -0.689 1.00 0.00 O ATOM 220 CB SER A 16 13.691 5.863 1.931 1.00 0.00 C ATOM 221 OG SER A 16 13.465 5.966 3.326 1.00 0.00 O ATOM 0 H SER A 16 11.686 4.461 1.645 1.00 0.00 H new ATOM 0 HA SER A 16 12.070 7.237 1.607 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.917 4.829 1.671 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.562 6.458 1.656 1.00 0.00 H new ATOM 0 HG SER A 16 14.258 5.655 3.810 1.00 0.00 H new ATOM 227 N ASN A 17 13.235 5.653 -1.058 1.00 0.00 N ATOM 228 CA ASN A 17 13.648 5.842 -2.444 1.00 0.00 C ATOM 229 C ASN A 17 12.871 4.916 -3.374 1.00 0.00 C ATOM 230 O ASN A 17 12.132 4.041 -2.922 1.00 0.00 O ATOM 231 CB ASN A 17 15.150 5.588 -2.590 1.00 0.00 C ATOM 232 CG ASN A 17 15.701 6.119 -3.899 1.00 0.00 C ATOM 233 OD1 ASN A 17 15.467 7.272 -4.263 1.00 0.00 O ATOM 234 ND2 ASN A 17 16.439 5.278 -4.615 1.00 0.00 N ATOM 0 H ASN A 17 13.245 4.683 -0.744 1.00 0.00 H new ATOM 0 HA ASN A 17 13.432 6.873 -2.724 1.00 0.00 H new ATOM 0 HB2 ASN A 17 15.678 6.057 -1.760 1.00 0.00 H new ATOM 0 HB3 ASN A 17 15.343 4.517 -2.525 1.00 0.00 H new ATOM 0 HD21 ASN A 17 16.837 5.579 -5.505 1.00 0.00 H new ATOM 0 HD22 ASN A 17 16.608 4.331 -4.275 1.00 0.00 H new ATOM 241 N LEU A 18 13.044 5.113 -4.677 1.00 0.00 N ATOM 242 CA LEU A 18 12.361 4.295 -5.672 1.00 0.00 C ATOM 243 C LEU A 18 12.969 2.898 -5.739 1.00 0.00 C ATOM 244 O LEU A 18 12.251 1.897 -5.755 1.00 0.00 O ATOM 245 CB LEU A 18 12.433 4.962 -7.047 1.00 0.00 C ATOM 246 CG LEU A 18 11.426 4.470 -8.086 1.00 0.00 C ATOM 247 CD1 LEU A 18 11.000 3.042 -7.782 1.00 0.00 C ATOM 248 CD2 LEU A 18 10.215 5.391 -8.132 1.00 0.00 C ATOM 0 H LEU A 18 13.652 5.833 -5.068 1.00 0.00 H new ATOM 0 HA LEU A 18 11.316 4.202 -5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.294 6.035 -6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 18 13.437 4.817 -7.447 1.00 0.00 H new ATOM 0 HG LEU A 18 11.906 4.484 -9.064 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.283 2.709 -8.532 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.873 2.390 -7.800 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.538 3.002 -6.796 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.508 5.026 -8.877 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.734 5.409 -7.154 1.00 0.00 H new ATOM 0 HD23 LEU A 18 10.534 6.399 -8.398 1.00 0.00 H new ATOM 260 N ARG A 19 14.296 2.837 -5.777 1.00 0.00 N ATOM 261 CA ARG A 19 15.001 1.562 -5.841 1.00 0.00 C ATOM 262 C ARG A 19 14.402 0.560 -4.859 1.00 0.00 C ATOM 263 O ARG A 19 13.951 -0.516 -5.252 1.00 0.00 O ATOM 264 CB ARG A 19 16.487 1.761 -5.540 1.00 0.00 C ATOM 265 CG ARG A 19 17.254 0.460 -5.372 1.00 0.00 C ATOM 266 CD ARG A 19 17.216 -0.378 -6.640 1.00 0.00 C ATOM 267 NE ARG A 19 18.407 -1.211 -6.782 1.00 0.00 N ATOM 268 CZ ARG A 19 19.592 -0.740 -7.156 1.00 0.00 C ATOM 269 NH1 ARG A 19 19.743 0.550 -7.423 1.00 0.00 N ATOM 270 NH2 ARG A 19 20.629 -1.561 -7.263 1.00 0.00 N ATOM 0 H ARG A 19 14.905 3.655 -5.765 1.00 0.00 H new ATOM 0 HA ARG A 19 14.892 1.165 -6.850 1.00 0.00 H new ATOM 0 HB2 ARG A 19 16.939 2.337 -6.347 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.589 2.353 -4.630 1.00 0.00 H new ATOM 0 HG2 ARG A 19 18.289 0.678 -5.110 1.00 0.00 H new ATOM 0 HG3 ARG A 19 16.829 -0.110 -4.545 1.00 0.00 H new ATOM 0 HD2 ARG A 19 16.330 -1.012 -6.629 1.00 0.00 H new ATOM 0 HD3 ARG A 19 17.128 0.278 -7.506 1.00 0.00 H new ATOM 0 HE ARG A 19 18.325 -2.208 -6.583 1.00 0.00 H new ATOM 0 HH11 ARG A 19 18.948 1.184 -7.342 1.00 0.00 H new ATOM 0 HH12 ARG A 19 20.654 0.908 -7.710 1.00 0.00 H new ATOM 0 HH21 ARG A 19 20.517 -2.554 -7.058 1.00 0.00 H new ATOM 0 HH22 ARG A 19 21.538 -1.199 -7.550 1.00 0.00 H new ATOM 284 N ASN A 20 14.402 0.920 -3.580 1.00 0.00 N ATOM 285 CA ASN A 20 13.860 0.052 -2.541 1.00 0.00 C ATOM 286 C ASN A 20 12.570 -0.616 -3.008 1.00 0.00 C ATOM 287 O ASN A 20 12.234 -1.717 -2.572 1.00 0.00 O ATOM 288 CB ASN A 20 13.599 0.852 -1.263 1.00 0.00 C ATOM 289 CG ASN A 20 14.720 1.825 -0.952 1.00 0.00 C ATOM 290 OD1 ASN A 20 15.857 1.639 -1.385 1.00 0.00 O ATOM 291 ND2 ASN A 20 14.402 2.871 -0.197 1.00 0.00 N ATOM 0 H ASN A 20 14.771 1.807 -3.238 1.00 0.00 H new ATOM 0 HA ASN A 20 14.596 -0.725 -2.332 1.00 0.00 H new ATOM 0 HB2 ASN A 20 12.663 1.401 -1.366 1.00 0.00 H new ATOM 0 HB3 ASN A 20 13.475 0.165 -0.426 1.00 0.00 H new ATOM 0 HD21 ASN A 20 15.114 3.560 0.046 1.00 0.00 H new ATOM 0 HD22 ASN A 20 13.446 2.985 0.140 1.00 0.00 H new ATOM 298 N LEU A 21 11.851 0.058 -3.899 1.00 0.00 N ATOM 299 CA LEU A 21 10.597 -0.469 -4.427 1.00 0.00 C ATOM 300 C LEU A 21 10.858 -1.507 -5.514 1.00 0.00 C ATOM 301 O LEU A 21 10.172 -2.526 -5.589 1.00 0.00 O ATOM 302 CB LEU A 21 9.739 0.667 -4.987 1.00 0.00 C ATOM 303 CG LEU A 21 8.247 0.368 -5.137 1.00 0.00 C ATOM 304 CD1 LEU A 21 7.563 0.367 -3.779 1.00 0.00 C ATOM 305 CD2 LEU A 21 7.592 1.381 -6.065 1.00 0.00 C ATOM 0 H LEU A 21 12.115 0.970 -4.271 1.00 0.00 H new ATOM 0 HA LEU A 21 10.061 -0.952 -3.610 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.852 1.535 -4.338 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.134 0.946 -5.964 1.00 0.00 H new ATOM 0 HG LEU A 21 8.137 -0.623 -5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.502 0.152 -3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.014 -0.396 -3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 21 7.682 1.344 -3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.530 1.154 -6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.713 2.383 -5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.063 1.333 -7.047 1.00 0.00 H new ATOM 317 N GLU A 22 11.856 -1.242 -6.351 1.00 0.00 N ATOM 318 CA GLU A 22 12.208 -2.155 -7.432 1.00 0.00 C ATOM 319 C GLU A 22 12.267 -3.595 -6.931 1.00 0.00 C ATOM 320 O GLU A 22 11.805 -4.517 -7.604 1.00 0.00 O ATOM 321 CB GLU A 22 13.554 -1.761 -8.045 1.00 0.00 C ATOM 322 CG GLU A 22 13.466 -0.583 -9.001 1.00 0.00 C ATOM 323 CD GLU A 22 13.179 -1.010 -10.427 1.00 0.00 C ATOM 324 OE1 GLU A 22 13.893 -1.901 -10.934 1.00 0.00 O ATOM 325 OE2 GLU A 22 12.242 -0.453 -11.037 1.00 0.00 O ATOM 0 H GLU A 22 12.435 -0.403 -6.301 1.00 0.00 H new ATOM 0 HA GLU A 22 11.435 -2.086 -8.197 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.251 -1.516 -7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 22 13.967 -2.619 -8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.682 0.096 -8.664 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.403 -0.027 -8.974 1.00 0.00 H new ATOM 332 N ILE A 23 12.840 -3.780 -5.746 1.00 0.00 N ATOM 333 CA ILE A 23 12.959 -5.106 -5.155 1.00 0.00 C ATOM 334 C ILE A 23 11.608 -5.813 -5.113 1.00 0.00 C ATOM 335 O ILE A 23 11.518 -7.017 -5.356 1.00 0.00 O ATOM 336 CB ILE A 23 13.534 -5.037 -3.728 1.00 0.00 C ATOM 337 CG1 ILE A 23 14.965 -4.495 -3.757 1.00 0.00 C ATOM 338 CG2 ILE A 23 13.495 -6.410 -3.073 1.00 0.00 C ATOM 339 CD1 ILE A 23 15.039 -2.991 -3.893 1.00 0.00 C ATOM 0 H ILE A 23 13.229 -3.028 -5.177 1.00 0.00 H new ATOM 0 HA ILE A 23 13.643 -5.672 -5.787 1.00 0.00 H new ATOM 0 HB ILE A 23 12.920 -4.357 -3.138 1.00 0.00 H new ATOM 0 HG12 ILE A 23 15.477 -4.795 -2.842 1.00 0.00 H new ATOM 0 HG13 ILE A 23 15.502 -4.954 -4.587 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.905 -6.344 -2.065 1.00 0.00 H new ATOM 0 HG22 ILE A 23 12.464 -6.760 -3.023 1.00 0.00 H new ATOM 0 HG23 ILE A 23 14.088 -7.111 -3.661 1.00 0.00 H new ATOM 0 HD11 ILE A 23 16.083 -2.678 -3.907 1.00 0.00 H new ATOM 0 HD12 ILE A 23 14.556 -2.685 -4.821 1.00 0.00 H new ATOM 0 HD13 ILE A 23 14.531 -2.524 -3.049 1.00 0.00 H new ATOM 351 N SER A 24 10.560 -5.056 -4.804 1.00 0.00 N ATOM 352 CA SER A 24 9.213 -5.610 -4.728 1.00 0.00 C ATOM 353 C SER A 24 8.655 -5.875 -6.123 1.00 0.00 C ATOM 354 O SER A 24 7.680 -6.607 -6.284 1.00 0.00 O ATOM 355 CB SER A 24 8.289 -4.657 -3.969 1.00 0.00 C ATOM 356 OG SER A 24 7.030 -5.258 -3.718 1.00 0.00 O ATOM 0 H SER A 24 10.618 -4.058 -4.602 1.00 0.00 H new ATOM 0 HA SER A 24 9.266 -6.557 -4.191 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.753 -4.370 -3.025 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.150 -3.743 -4.547 1.00 0.00 H new ATOM 0 HG SER A 24 6.320 -4.595 -3.846 1.00 0.00 H new ATOM 362 N GLN A 25 9.282 -5.272 -7.129 1.00 0.00 N ATOM 363 CA GLN A 25 8.848 -5.442 -8.510 1.00 0.00 C ATOM 364 C GLN A 25 9.545 -6.634 -9.157 1.00 0.00 C ATOM 365 O GLN A 25 8.978 -7.300 -10.023 1.00 0.00 O ATOM 366 CB GLN A 25 9.131 -4.172 -9.315 1.00 0.00 C ATOM 367 CG GLN A 25 8.225 -3.007 -8.952 1.00 0.00 C ATOM 368 CD GLN A 25 8.453 -1.794 -9.832 1.00 0.00 C ATOM 369 OE1 GLN A 25 9.190 -1.856 -10.817 1.00 0.00 O ATOM 370 NE2 GLN A 25 7.821 -0.680 -9.481 1.00 0.00 N ATOM 0 H GLN A 25 10.091 -4.662 -7.013 1.00 0.00 H new ATOM 0 HA GLN A 25 7.774 -5.630 -8.507 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.169 -3.877 -9.159 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.018 -4.392 -10.377 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.185 -3.321 -9.035 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.393 -2.732 -7.911 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.220 -0.673 -8.657 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.937 0.168 -10.035 1.00 0.00 H new ATOM 379 N GLN A 26 10.776 -6.897 -8.731 1.00 0.00 N ATOM 380 CA GLN A 26 11.550 -8.008 -9.271 1.00 0.00 C ATOM 381 C GLN A 26 11.452 -9.231 -8.364 1.00 0.00 C ATOM 382 O GLN A 26 11.065 -10.314 -8.803 1.00 0.00 O ATOM 383 CB GLN A 26 13.014 -7.602 -9.443 1.00 0.00 C ATOM 384 CG GLN A 26 13.201 -6.316 -10.232 1.00 0.00 C ATOM 385 CD GLN A 26 13.326 -6.560 -11.723 1.00 0.00 C ATOM 386 OE1 GLN A 26 14.114 -7.398 -12.162 1.00 0.00 O ATOM 387 NE2 GLN A 26 12.548 -5.826 -12.510 1.00 0.00 N ATOM 0 H GLN A 26 11.259 -6.356 -8.014 1.00 0.00 H new ATOM 0 HA GLN A 26 11.136 -8.267 -10.246 1.00 0.00 H new ATOM 0 HB2 GLN A 26 13.467 -7.484 -8.459 1.00 0.00 H new ATOM 0 HB3 GLN A 26 13.549 -8.408 -9.946 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.356 -5.654 -10.046 1.00 0.00 H new ATOM 0 HG3 GLN A 26 14.094 -5.802 -9.876 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.909 -5.143 -12.102 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.589 -5.945 -13.522 1.00 0.00 H new ATOM 396 N LYS A 27 11.805 -9.050 -7.096 1.00 0.00 N ATOM 397 CA LYS A 27 11.757 -10.137 -6.125 1.00 0.00 C ATOM 398 C LYS A 27 10.315 -10.526 -5.815 1.00 0.00 C ATOM 399 O LYS A 27 10.016 -11.693 -5.564 1.00 0.00 O ATOM 400 CB LYS A 27 12.475 -9.730 -4.837 1.00 0.00 C ATOM 401 CG LYS A 27 13.747 -8.935 -5.074 1.00 0.00 C ATOM 402 CD LYS A 27 14.698 -9.669 -6.005 1.00 0.00 C ATOM 403 CE LYS A 27 16.117 -9.136 -5.885 1.00 0.00 C ATOM 404 NZ LYS A 27 16.885 -9.838 -4.821 1.00 0.00 N ATOM 0 H LYS A 27 12.128 -8.160 -6.716 1.00 0.00 H new ATOM 0 HA LYS A 27 12.263 -11.000 -6.558 1.00 0.00 H new ATOM 0 HB2 LYS A 27 11.796 -9.138 -4.224 1.00 0.00 H new ATOM 0 HB3 LYS A 27 12.718 -10.627 -4.268 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.496 -7.964 -5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.242 -8.746 -4.121 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.687 -10.734 -5.772 1.00 0.00 H new ATOM 0 HD3 LYS A 27 14.355 -9.564 -7.034 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.630 -9.252 -6.840 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.087 -8.069 -5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.847 -9.446 -4.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.409 -9.707 -3.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.936 -10.853 -5.042 1.00 0.00 H new ATOM 418 N GLY A 28 9.423 -9.540 -5.836 1.00 0.00 N ATOM 419 CA GLY A 28 8.023 -9.799 -5.556 1.00 0.00 C ATOM 420 C GLY A 28 7.726 -9.838 -4.071 1.00 0.00 C ATOM 421 O GLY A 28 6.814 -10.540 -3.631 1.00 0.00 O ATOM 0 H GLY A 28 9.645 -8.566 -6.042 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.413 -9.027 -6.025 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.736 -10.749 -6.006 1.00 0.00 H new ATOM 425 N ILE A 29 8.497 -9.083 -3.295 1.00 0.00 N ATOM 426 CA ILE A 29 8.311 -9.035 -1.850 1.00 0.00 C ATOM 427 C ILE A 29 8.493 -7.617 -1.320 1.00 0.00 C ATOM 428 O ILE A 29 8.997 -6.741 -2.022 1.00 0.00 O ATOM 429 CB ILE A 29 9.294 -9.972 -1.124 1.00 0.00 C ATOM 430 CG1 ILE A 29 10.673 -9.911 -1.785 1.00 0.00 C ATOM 431 CG2 ILE A 29 8.763 -11.398 -1.124 1.00 0.00 C ATOM 432 CD1 ILE A 29 11.459 -8.670 -1.427 1.00 0.00 C ATOM 0 H ILE A 29 9.256 -8.497 -3.643 1.00 0.00 H new ATOM 0 HA ILE A 29 7.292 -9.367 -1.652 1.00 0.00 H new ATOM 0 HB ILE A 29 9.393 -9.641 -0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 29 11.246 -10.791 -1.493 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.551 -9.954 -2.867 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.468 -12.049 -0.607 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.801 -11.428 -0.613 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.639 -11.740 -2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 29 12.425 -8.694 -1.931 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.906 -7.785 -1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 29 11.613 -8.635 -0.348 1.00 0.00 H new ATOM 444 N TRP A 30 8.081 -7.399 -0.076 1.00 0.00 N ATOM 445 CA TRP A 30 8.201 -6.087 0.550 1.00 0.00 C ATOM 446 C TRP A 30 8.423 -6.219 2.052 1.00 0.00 C ATOM 447 O TRP A 30 7.846 -7.092 2.700 1.00 0.00 O ATOM 448 CB TRP A 30 6.947 -5.254 0.279 1.00 0.00 C ATOM 449 CG TRP A 30 6.992 -3.892 0.903 1.00 0.00 C ATOM 450 CD1 TRP A 30 6.296 -3.470 2.000 1.00 0.00 C ATOM 451 CD2 TRP A 30 7.773 -2.774 0.466 1.00 0.00 C ATOM 452 NE1 TRP A 30 6.598 -2.157 2.271 1.00 0.00 N ATOM 453 CE2 TRP A 30 7.502 -1.708 1.345 1.00 0.00 C ATOM 454 CE3 TRP A 30 8.677 -2.571 -0.580 1.00 0.00 C ATOM 455 CZ2 TRP A 30 8.101 -0.459 1.207 1.00 0.00 C ATOM 456 CZ3 TRP A 30 9.271 -1.331 -0.716 1.00 0.00 C ATOM 457 CH2 TRP A 30 8.982 -0.288 0.174 1.00 0.00 C ATOM 0 H TRP A 30 7.661 -8.113 0.519 1.00 0.00 H new ATOM 0 HA TRP A 30 9.065 -5.583 0.117 1.00 0.00 H new ATOM 0 HB2 TRP A 30 6.816 -5.148 -0.798 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.075 -5.790 0.655 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.610 -4.078 2.570 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.212 -1.606 3.038 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.907 -3.369 -1.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 7.878 0.347 1.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 9.970 -1.163 -1.522 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.464 0.669 0.042 1.00 0.00 H new ATOM 468 N SER A 31 9.263 -5.346 2.601 1.00 0.00 N ATOM 469 CA SER A 31 9.564 -5.368 4.028 1.00 0.00 C ATOM 470 C SER A 31 9.239 -4.024 4.672 1.00 0.00 C ATOM 471 O SER A 31 9.871 -3.010 4.374 1.00 0.00 O ATOM 472 CB SER A 31 11.037 -5.713 4.254 1.00 0.00 C ATOM 473 OG SER A 31 11.273 -6.081 5.602 1.00 0.00 O ATOM 0 H SER A 31 9.747 -4.615 2.079 1.00 0.00 H new ATOM 0 HA SER A 31 8.944 -6.133 4.494 1.00 0.00 H new ATOM 0 HB2 SER A 31 11.328 -6.530 3.594 1.00 0.00 H new ATOM 0 HB3 SER A 31 11.659 -4.856 3.993 1.00 0.00 H new ATOM 0 HG SER A 31 10.728 -6.864 5.828 1.00 0.00 H new ATOM 479 N THR A 32 8.248 -4.024 5.558 1.00 0.00 N ATOM 480 CA THR A 32 7.837 -2.806 6.244 1.00 0.00 C ATOM 481 C THR A 32 8.138 -2.887 7.736 1.00 0.00 C ATOM 482 O THR A 32 8.514 -3.942 8.248 1.00 0.00 O ATOM 483 CB THR A 32 6.333 -2.531 6.050 1.00 0.00 C ATOM 484 OG1 THR A 32 6.027 -1.187 6.437 1.00 0.00 O ATOM 485 CG2 THR A 32 5.496 -3.503 6.868 1.00 0.00 C ATOM 0 H THR A 32 7.715 -4.854 5.817 1.00 0.00 H new ATOM 0 HA THR A 32 8.408 -1.988 5.804 1.00 0.00 H new ATOM 0 HB THR A 32 6.094 -2.668 4.995 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.070 -1.020 6.309 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.438 -3.290 6.715 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.710 -4.524 6.551 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.740 -3.393 7.925 1.00 0.00 H new ATOM 493 N THR A 33 7.971 -1.766 8.431 1.00 0.00 N ATOM 494 CA THR A 33 8.226 -1.710 9.865 1.00 0.00 C ATOM 495 C THR A 33 7.366 -2.721 10.616 1.00 0.00 C ATOM 496 O THR A 33 6.201 -2.947 10.287 1.00 0.00 O ATOM 497 CB THR A 33 7.955 -0.303 10.430 1.00 0.00 C ATOM 498 OG1 THR A 33 8.551 -0.172 11.725 1.00 0.00 O ATOM 499 CG2 THR A 33 6.460 -0.036 10.524 1.00 0.00 C ATOM 0 H THR A 33 7.660 -0.884 8.023 1.00 0.00 H new ATOM 0 HA THR A 33 9.279 -1.954 10.008 1.00 0.00 H new ATOM 0 HB THR A 33 8.396 0.428 9.752 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.376 0.726 12.077 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.293 0.964 10.926 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.015 -0.107 9.532 1.00 0.00 H new ATOM 0 HG23 THR A 33 5.999 -0.773 11.182 1.00 0.00 H new ATOM 507 N PRO A 34 7.950 -3.344 11.650 1.00 0.00 N ATOM 508 CA PRO A 34 7.254 -4.340 12.470 1.00 0.00 C ATOM 509 C PRO A 34 6.163 -3.718 13.335 1.00 0.00 C ATOM 510 O PRO A 34 5.543 -4.398 14.153 1.00 0.00 O ATOM 511 CB PRO A 34 8.368 -4.917 13.348 1.00 0.00 C ATOM 512 CG PRO A 34 9.391 -3.836 13.422 1.00 0.00 C ATOM 513 CD PRO A 34 9.335 -3.123 12.099 1.00 0.00 C ATOM 0 HA PRO A 34 6.743 -5.085 11.860 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.996 -5.178 14.339 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.784 -5.826 12.914 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.178 -3.152 14.243 1.00 0.00 H new ATOM 0 HG3 PRO A 34 10.384 -4.249 13.601 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.558 -2.061 12.205 1.00 0.00 H new ATOM 0 HD3 PRO A 34 10.057 -3.532 11.392 1.00 0.00 H new ATOM 521 N SER A 35 5.931 -2.423 13.147 1.00 0.00 N ATOM 522 CA SER A 35 4.916 -1.709 13.913 1.00 0.00 C ATOM 523 C SER A 35 3.608 -1.623 13.132 1.00 0.00 C ATOM 524 O SER A 35 2.564 -1.281 13.685 1.00 0.00 O ATOM 525 CB SER A 35 5.406 -0.303 14.264 1.00 0.00 C ATOM 526 OG SER A 35 6.469 -0.353 15.200 1.00 0.00 O ATOM 0 H SER A 35 6.432 -1.847 12.471 1.00 0.00 H new ATOM 0 HA SER A 35 4.735 -2.263 14.834 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.737 0.207 13.359 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.582 0.281 14.675 1.00 0.00 H new ATOM 0 HG SER A 35 6.766 0.558 15.407 1.00 0.00 H new ATOM 532 N ASN A 36 3.674 -1.937 11.842 1.00 0.00 N ATOM 533 CA ASN A 36 2.496 -1.895 10.984 1.00 0.00 C ATOM 534 C ASN A 36 2.305 -3.223 10.257 1.00 0.00 C ATOM 535 O ASN A 36 1.626 -3.288 9.233 1.00 0.00 O ATOM 536 CB ASN A 36 2.619 -0.757 9.969 1.00 0.00 C ATOM 537 CG ASN A 36 3.368 0.437 10.527 1.00 0.00 C ATOM 538 OD1 ASN A 36 4.068 1.155 9.656 1.00 0.00 O flip ATOM 539 ND2 ASN A 36 3.318 0.710 11.726 1.00 0.00 N flip ATOM 0 H ASN A 36 4.531 -2.223 11.368 1.00 0.00 H new ATOM 0 HA ASN A 36 1.624 -1.718 11.614 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.133 -1.121 9.079 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.623 -0.444 9.656 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.767 0.130 12.359 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.827 1.516 12.087 1.00 0.00 H new ATOM 546 N GLU A 37 2.909 -4.278 10.794 1.00 0.00 N ATOM 547 CA GLU A 37 2.805 -5.604 10.196 1.00 0.00 C ATOM 548 C GLU A 37 1.612 -6.366 10.765 1.00 0.00 C ATOM 549 O GLU A 37 0.790 -6.899 10.020 1.00 0.00 O ATOM 550 CB GLU A 37 4.092 -6.397 10.433 1.00 0.00 C ATOM 551 CG GLU A 37 5.205 -6.057 9.457 1.00 0.00 C ATOM 552 CD GLU A 37 6.386 -7.002 9.567 1.00 0.00 C ATOM 553 OE1 GLU A 37 6.597 -7.565 10.662 1.00 0.00 O ATOM 554 OE2 GLU A 37 7.100 -7.179 8.558 1.00 0.00 O ATOM 0 H GLU A 37 3.475 -4.241 11.642 1.00 0.00 H new ATOM 0 HA GLU A 37 2.656 -5.480 9.123 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.441 -6.211 11.449 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.871 -7.462 10.362 1.00 0.00 H new ATOM 0 HG2 GLU A 37 4.813 -6.088 8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.543 -5.037 9.638 1.00 0.00 H new ATOM 561 N ARG A 38 1.526 -6.413 12.090 1.00 0.00 N ATOM 562 CA ARG A 38 0.435 -7.111 12.760 1.00 0.00 C ATOM 563 C ARG A 38 -0.859 -6.995 11.959 1.00 0.00 C ATOM 564 O ARG A 38 -1.632 -7.948 11.865 1.00 0.00 O ATOM 565 CB ARG A 38 0.229 -6.548 14.168 1.00 0.00 C ATOM 566 CG ARG A 38 -0.133 -5.072 14.186 1.00 0.00 C ATOM 567 CD ARG A 38 -1.638 -4.866 14.127 1.00 0.00 C ATOM 568 NE ARG A 38 -2.261 -5.000 15.441 1.00 0.00 N ATOM 569 CZ ARG A 38 -3.560 -4.830 15.659 1.00 0.00 C ATOM 570 NH1 ARG A 38 -4.370 -4.522 14.656 1.00 0.00 N ATOM 571 NH2 ARG A 38 -4.052 -4.970 16.884 1.00 0.00 N ATOM 0 H ARG A 38 2.198 -5.976 12.721 1.00 0.00 H new ATOM 0 HA ARG A 38 0.703 -8.165 12.833 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.560 -7.113 14.664 1.00 0.00 H new ATOM 0 HB3 ARG A 38 1.140 -6.697 14.747 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.263 -4.610 15.090 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.337 -4.571 13.340 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.853 -3.877 13.723 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.077 -5.592 13.442 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.666 -5.237 16.235 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.996 -4.415 13.713 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.367 -4.392 14.827 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.432 -5.208 17.658 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.050 -4.839 17.051 1.00 0.00 H new ATOM 585 N LYS A 39 -1.088 -5.819 11.384 1.00 0.00 N ATOM 586 CA LYS A 39 -2.287 -5.576 10.590 1.00 0.00 C ATOM 587 C LYS A 39 -2.215 -6.313 9.257 1.00 0.00 C ATOM 588 O LYS A 39 -3.103 -7.099 8.922 1.00 0.00 O ATOM 589 CB LYS A 39 -2.467 -4.076 10.347 1.00 0.00 C ATOM 590 CG LYS A 39 -1.267 -3.418 9.688 1.00 0.00 C ATOM 591 CD LYS A 39 -1.150 -1.954 10.078 1.00 0.00 C ATOM 592 CE LYS A 39 -1.985 -1.067 9.167 1.00 0.00 C ATOM 593 NZ LYS A 39 -1.967 0.355 9.611 1.00 0.00 N ATOM 0 H LYS A 39 -0.459 -5.019 11.453 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.145 -5.953 11.147 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.345 -3.921 9.721 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.664 -3.583 11.299 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.358 -3.946 9.976 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.355 -3.501 8.605 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.474 -1.824 11.111 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.106 -1.646 10.030 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.606 -1.134 8.147 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.013 -1.429 9.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -2.447 0.946 8.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.459 0.440 10.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.983 0.673 9.718 1.00 0.00 H new ATOM 607 N LEU A 40 -1.153 -6.057 8.501 1.00 0.00 N ATOM 608 CA LEU A 40 -0.965 -6.697 7.204 1.00 0.00 C ATOM 609 C LEU A 40 -1.142 -8.209 7.312 1.00 0.00 C ATOM 610 O LEU A 40 -1.717 -8.841 6.427 1.00 0.00 O ATOM 611 CB LEU A 40 0.423 -6.374 6.650 1.00 0.00 C ATOM 612 CG LEU A 40 0.788 -4.890 6.578 1.00 0.00 C ATOM 613 CD1 LEU A 40 2.188 -4.712 6.011 1.00 0.00 C ATOM 614 CD2 LEU A 40 -0.230 -4.131 5.739 1.00 0.00 C ATOM 0 H LEU A 40 -0.409 -5.411 8.764 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.721 -6.308 6.522 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.165 -6.881 7.267 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.499 -6.796 5.648 1.00 0.00 H new ATOM 0 HG LEU A 40 0.773 -4.482 7.589 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.431 -3.650 5.967 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.907 -5.222 6.651 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.231 -5.136 5.008 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.045 -3.077 5.699 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.247 -4.541 4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.218 -4.231 6.188 1.00 0.00 H new ATOM 626 N ASN A 41 -0.646 -8.781 8.404 1.00 0.00 N ATOM 627 CA ASN A 41 -0.750 -10.218 8.629 1.00 0.00 C ATOM 628 C ASN A 41 -2.184 -10.612 8.971 1.00 0.00 C ATOM 629 O ASN A 41 -2.845 -11.313 8.204 1.00 0.00 O ATOM 630 CB ASN A 41 0.191 -10.648 9.756 1.00 0.00 C ATOM 631 CG ASN A 41 1.560 -10.006 9.643 1.00 0.00 C ATOM 632 OD1 ASN A 41 1.735 -9.011 8.940 1.00 0.00 O ATOM 633 ND2 ASN A 41 2.539 -10.575 10.338 1.00 0.00 N ATOM 0 H ASN A 41 -0.168 -8.271 9.147 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.461 -10.727 7.709 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.253 -10.385 10.716 1.00 0.00 H new ATOM 0 HB3 ASN A 41 0.299 -11.733 9.741 1.00 0.00 H new ATOM 0 HD21 ASN A 41 3.482 -10.188 10.302 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.348 -11.399 10.908 1.00 0.00 H new ATOM 640 N ARG A 42 -2.659 -10.155 10.125 1.00 0.00 N ATOM 641 CA ARG A 42 -4.014 -10.460 10.568 1.00 0.00 C ATOM 642 C ARG A 42 -5.035 -10.073 9.502 1.00 0.00 C ATOM 643 O ARG A 42 -5.802 -10.911 9.029 1.00 0.00 O ATOM 644 CB ARG A 42 -4.323 -9.728 11.875 1.00 0.00 C ATOM 645 CG ARG A 42 -5.416 -10.387 12.699 1.00 0.00 C ATOM 646 CD ARG A 42 -4.848 -11.443 13.635 1.00 0.00 C ATOM 647 NE ARG A 42 -5.890 -12.309 14.181 1.00 0.00 N ATOM 648 CZ ARG A 42 -5.754 -13.003 15.305 1.00 0.00 C ATOM 649 NH1 ARG A 42 -4.627 -12.934 15.999 1.00 0.00 N ATOM 650 NH2 ARG A 42 -6.748 -13.769 15.737 1.00 0.00 N ATOM 0 H ARG A 42 -2.125 -9.572 10.770 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.081 -11.535 10.737 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -3.414 -9.671 12.473 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -4.619 -8.704 11.647 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.942 -9.629 13.280 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.149 -10.845 12.034 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.118 -12.049 13.098 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -4.317 -10.955 14.452 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.770 -12.385 13.671 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.861 -12.346 15.670 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.526 -13.468 16.862 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -7.617 -13.825 15.206 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.643 -14.302 16.600 1.00 0.00 H new ATOM 664 N ALA A 43 -5.038 -8.798 9.128 1.00 0.00 N ATOM 665 CA ALA A 43 -5.963 -8.300 8.118 1.00 0.00 C ATOM 666 C ALA A 43 -6.035 -9.247 6.925 1.00 0.00 C ATOM 667 O ALA A 43 -7.119 -9.646 6.501 1.00 0.00 O ATOM 668 CB ALA A 43 -5.549 -6.908 7.664 1.00 0.00 C ATOM 0 H ALA A 43 -4.410 -8.091 9.510 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.955 -8.245 8.566 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.249 -6.548 6.910 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.555 -6.230 8.517 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.546 -6.947 7.239 1.00 0.00 H new ATOM 674 N PHE A 44 -4.873 -9.604 6.388 1.00 0.00 N ATOM 675 CA PHE A 44 -4.804 -10.504 5.243 1.00 0.00 C ATOM 676 C PHE A 44 -5.735 -11.699 5.433 1.00 0.00 C ATOM 677 O PHE A 44 -6.307 -12.212 4.472 1.00 0.00 O ATOM 678 CB PHE A 44 -3.368 -10.990 5.034 1.00 0.00 C ATOM 679 CG PHE A 44 -3.208 -11.892 3.844 1.00 0.00 C ATOM 680 CD1 PHE A 44 -3.494 -11.435 2.567 1.00 0.00 C ATOM 681 CD2 PHE A 44 -2.771 -13.198 4.001 1.00 0.00 C ATOM 682 CE1 PHE A 44 -3.347 -12.262 1.470 1.00 0.00 C ATOM 683 CE2 PHE A 44 -2.622 -14.029 2.907 1.00 0.00 C ATOM 684 CZ PHE A 44 -2.911 -13.561 1.640 1.00 0.00 C ATOM 0 H PHE A 44 -3.966 -9.284 6.728 1.00 0.00 H new ATOM 0 HA PHE A 44 -5.125 -9.952 4.360 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.714 -10.126 4.916 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -3.038 -11.519 5.928 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.836 -10.420 2.428 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.544 -13.570 4.989 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.573 -11.893 0.481 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.280 -15.044 3.043 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.796 -14.210 0.784 1.00 0.00 H new ATOM 694 N TRP A 45 -5.880 -12.135 6.679 1.00 0.00 N ATOM 695 CA TRP A 45 -6.740 -13.269 6.996 1.00 0.00 C ATOM 696 C TRP A 45 -8.155 -12.805 7.323 1.00 0.00 C ATOM 697 O TRP A 45 -9.123 -13.263 6.717 1.00 0.00 O ATOM 698 CB TRP A 45 -6.164 -14.059 8.173 1.00 0.00 C ATOM 699 CG TRP A 45 -4.666 -14.103 8.183 1.00 0.00 C ATOM 700 CD1 TRP A 45 -3.841 -14.173 7.096 1.00 0.00 C ATOM 701 CD2 TRP A 45 -3.815 -14.082 9.334 1.00 0.00 C ATOM 702 NE1 TRP A 45 -2.529 -14.197 7.503 1.00 0.00 N ATOM 703 CE2 TRP A 45 -2.486 -14.142 8.871 1.00 0.00 C ATOM 704 CE3 TRP A 45 -4.047 -14.017 10.711 1.00 0.00 C ATOM 705 CZ2 TRP A 45 -1.396 -14.139 9.737 1.00 0.00 C ATOM 706 CZ3 TRP A 45 -2.964 -14.015 11.569 1.00 0.00 C ATOM 707 CH2 TRP A 45 -1.652 -14.074 11.080 1.00 0.00 C ATOM 0 H TRP A 45 -5.413 -11.721 7.486 1.00 0.00 H new ATOM 0 HA TRP A 45 -6.784 -13.916 6.120 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -6.513 -13.615 9.105 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -6.550 -15.078 8.141 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -4.172 -14.205 6.068 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -1.718 -14.248 6.886 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -5.054 -13.969 11.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -0.384 -14.186 9.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -3.131 -13.967 12.635 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -0.827 -14.068 11.777 1.00 0.00 H new ATOM 718 N GLU A 46 -8.267 -11.893 8.284 1.00 0.00 N ATOM 719 CA GLU A 46 -9.565 -11.368 8.691 1.00 0.00 C ATOM 720 C GLU A 46 -10.297 -10.748 7.504 1.00 0.00 C ATOM 721 O GLU A 46 -11.502 -10.506 7.562 1.00 0.00 O ATOM 722 CB GLU A 46 -9.394 -10.328 9.799 1.00 0.00 C ATOM 723 CG GLU A 46 -9.001 -10.925 11.140 1.00 0.00 C ATOM 724 CD GLU A 46 -8.878 -9.880 12.231 1.00 0.00 C ATOM 725 OE1 GLU A 46 -8.340 -8.789 11.948 1.00 0.00 O ATOM 726 OE2 GLU A 46 -9.319 -10.152 13.367 1.00 0.00 O ATOM 0 H GLU A 46 -7.475 -11.503 8.795 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.162 -12.197 9.071 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.635 -9.608 9.495 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.327 -9.777 9.916 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.743 -11.667 11.435 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.051 -11.449 11.036 1.00 0.00 H new ATOM 733 N SER A 47 -9.558 -10.492 6.429 1.00 0.00 N ATOM 734 CA SER A 47 -10.135 -9.896 5.230 1.00 0.00 C ATOM 735 C SER A 47 -9.832 -10.747 4.000 1.00 0.00 C ATOM 736 O SER A 47 -9.037 -11.684 4.061 1.00 0.00 O ATOM 737 CB SER A 47 -9.594 -8.479 5.028 1.00 0.00 C ATOM 738 OG SER A 47 -10.404 -7.524 5.693 1.00 0.00 O ATOM 0 H SER A 47 -8.559 -10.688 6.364 1.00 0.00 H new ATOM 0 HA SER A 47 -11.216 -9.850 5.362 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.573 -8.419 5.404 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.555 -8.249 3.963 1.00 0.00 H new ATOM 0 HG SER A 47 -11.086 -7.187 5.075 1.00 0.00 H new ATOM 744 N SER A 48 -10.473 -10.413 2.885 1.00 0.00 N ATOM 745 CA SER A 48 -10.276 -11.148 1.641 1.00 0.00 C ATOM 746 C SER A 48 -8.932 -10.798 1.009 1.00 0.00 C ATOM 747 O SER A 48 -8.135 -11.680 0.690 1.00 0.00 O ATOM 748 CB SER A 48 -11.409 -10.844 0.659 1.00 0.00 C ATOM 749 OG SER A 48 -11.650 -11.945 -0.199 1.00 0.00 O ATOM 0 H SER A 48 -11.133 -9.638 2.817 1.00 0.00 H new ATOM 0 HA SER A 48 -10.282 -12.213 1.873 1.00 0.00 H new ATOM 0 HB2 SER A 48 -12.318 -10.603 1.211 1.00 0.00 H new ATOM 0 HB3 SER A 48 -11.154 -9.966 0.066 1.00 0.00 H new ATOM 0 HG SER A 48 -12.380 -11.726 -0.816 1.00 0.00 H new ATOM 755 N ILE A 49 -8.689 -9.503 0.831 1.00 0.00 N ATOM 756 CA ILE A 49 -7.443 -9.035 0.239 1.00 0.00 C ATOM 757 C ILE A 49 -6.876 -7.851 1.015 1.00 0.00 C ATOM 758 O ILE A 49 -7.551 -7.272 1.866 1.00 0.00 O ATOM 759 CB ILE A 49 -7.638 -8.624 -1.232 1.00 0.00 C ATOM 760 CG1 ILE A 49 -8.561 -9.615 -1.943 1.00 0.00 C ATOM 761 CG2 ILE A 49 -6.295 -8.541 -1.942 1.00 0.00 C ATOM 762 CD1 ILE A 49 -9.156 -9.075 -3.225 1.00 0.00 C ATOM 0 H ILE A 49 -9.339 -8.760 1.089 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.740 -9.867 0.285 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.103 -7.639 -1.259 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.002 -10.524 -2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -9.369 -9.896 -1.267 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.450 -8.249 -2.981 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.667 -7.800 -1.447 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.805 -9.514 -1.908 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -9.799 -9.831 -3.675 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -9.743 -8.183 -3.006 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -8.355 -8.821 -3.919 1.00 0.00 H new ATOM 774 N VAL A 50 -5.630 -7.496 0.715 1.00 0.00 N ATOM 775 CA VAL A 50 -4.973 -6.378 1.382 1.00 0.00 C ATOM 776 C VAL A 50 -4.296 -5.457 0.373 1.00 0.00 C ATOM 777 O VAL A 50 -3.202 -5.747 -0.112 1.00 0.00 O ATOM 778 CB VAL A 50 -3.923 -6.870 2.397 1.00 0.00 C ATOM 779 CG1 VAL A 50 -3.118 -5.700 2.942 1.00 0.00 C ATOM 780 CG2 VAL A 50 -4.592 -7.639 3.525 1.00 0.00 C ATOM 0 H VAL A 50 -5.056 -7.966 0.015 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.748 -5.824 1.911 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.237 -7.545 1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.382 -6.067 3.657 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.607 -5.196 2.121 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.787 -4.998 3.439 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.836 -7.979 4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.302 -6.989 4.037 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.119 -8.501 3.115 1.00 0.00 H new ATOM 790 N TYR A 51 -4.954 -4.346 0.062 1.00 0.00 N ATOM 791 CA TYR A 51 -4.417 -3.382 -0.891 1.00 0.00 C ATOM 792 C TYR A 51 -3.408 -2.456 -0.220 1.00 0.00 C ATOM 793 O TYR A 51 -3.730 -1.763 0.747 1.00 0.00 O ATOM 794 CB TYR A 51 -5.550 -2.559 -1.508 1.00 0.00 C ATOM 795 CG TYR A 51 -6.329 -3.301 -2.570 1.00 0.00 C ATOM 796 CD1 TYR A 51 -5.677 -4.018 -3.565 1.00 0.00 C ATOM 797 CD2 TYR A 51 -7.719 -3.287 -2.576 1.00 0.00 C ATOM 798 CE1 TYR A 51 -6.385 -4.697 -4.538 1.00 0.00 C ATOM 799 CE2 TYR A 51 -8.435 -3.965 -3.544 1.00 0.00 C ATOM 800 CZ TYR A 51 -7.764 -4.668 -4.523 1.00 0.00 C ATOM 801 OH TYR A 51 -8.473 -5.344 -5.488 1.00 0.00 O ATOM 0 H TYR A 51 -5.860 -4.091 0.456 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.906 -3.935 -1.680 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -6.234 -2.249 -0.718 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.133 -1.651 -1.943 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.597 -4.045 -3.578 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.248 -2.737 -1.812 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -5.862 -5.247 -5.306 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -9.515 -3.945 -3.534 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.433 -5.223 -5.334 1.00 0.00 H new ATOM 811 N LEU A 52 -2.185 -2.448 -0.739 1.00 0.00 N ATOM 812 CA LEU A 52 -1.127 -1.607 -0.191 1.00 0.00 C ATOM 813 C LEU A 52 -0.638 -0.602 -1.229 1.00 0.00 C ATOM 814 O LEU A 52 0.122 -0.947 -2.134 1.00 0.00 O ATOM 815 CB LEU A 52 0.041 -2.471 0.288 1.00 0.00 C ATOM 816 CG LEU A 52 -0.333 -3.763 1.014 1.00 0.00 C ATOM 817 CD1 LEU A 52 0.831 -4.741 0.999 1.00 0.00 C ATOM 818 CD2 LEU A 52 -0.764 -3.467 2.443 1.00 0.00 C ATOM 0 H LEU A 52 -1.902 -3.014 -1.539 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.536 -1.057 0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.655 -2.728 -0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.662 -1.871 0.953 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.172 -4.221 0.490 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.545 -5.655 1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.093 -4.979 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.690 -4.292 1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -1.027 -4.399 2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.055 -2.985 2.978 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.629 -2.805 2.432 1.00 0.00 H new ATOM 830 N VAL A 53 -1.078 0.645 -1.091 1.00 0.00 N ATOM 831 CA VAL A 53 -0.684 1.702 -2.015 1.00 0.00 C ATOM 832 C VAL A 53 0.716 2.215 -1.697 1.00 0.00 C ATOM 833 O VAL A 53 0.917 2.942 -0.724 1.00 0.00 O ATOM 834 CB VAL A 53 -1.672 2.882 -1.973 1.00 0.00 C ATOM 835 CG1 VAL A 53 -1.259 3.961 -2.962 1.00 0.00 C ATOM 836 CG2 VAL A 53 -3.088 2.401 -2.256 1.00 0.00 C ATOM 0 H VAL A 53 -1.708 0.948 -0.348 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.691 1.267 -3.015 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.652 3.314 -0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.969 4.786 -2.918 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.263 4.325 -2.709 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.248 3.546 -3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.773 3.248 -2.222 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.126 1.943 -3.244 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.380 1.668 -1.504 1.00 0.00 H new ATOM 846 N PHE A 54 1.683 1.831 -2.524 1.00 0.00 N ATOM 847 CA PHE A 54 3.066 2.251 -2.332 1.00 0.00 C ATOM 848 C PHE A 54 3.306 3.628 -2.946 1.00 0.00 C ATOM 849 O PHE A 54 2.784 3.942 -4.015 1.00 0.00 O ATOM 850 CB PHE A 54 4.023 1.230 -2.951 1.00 0.00 C ATOM 851 CG PHE A 54 3.905 -0.142 -2.351 1.00 0.00 C ATOM 852 CD1 PHE A 54 2.883 -0.995 -2.736 1.00 0.00 C ATOM 853 CD2 PHE A 54 4.816 -0.578 -1.402 1.00 0.00 C ATOM 854 CE1 PHE A 54 2.772 -2.258 -2.186 1.00 0.00 C ATOM 855 CE2 PHE A 54 4.710 -1.840 -0.849 1.00 0.00 C ATOM 856 CZ PHE A 54 3.686 -2.681 -1.241 1.00 0.00 C ATOM 0 H PHE A 54 1.534 1.229 -3.334 1.00 0.00 H new ATOM 0 HA PHE A 54 3.255 2.312 -1.260 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.831 1.167 -4.022 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.047 1.584 -2.830 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.165 -0.669 -3.474 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.618 0.076 -1.091 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.971 -2.914 -2.495 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.427 -2.169 -0.111 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.601 -3.667 -0.809 1.00 0.00 H new ATOM 866 N SER A 55 4.101 4.444 -2.260 1.00 0.00 N ATOM 867 CA SER A 55 4.408 5.788 -2.735 1.00 0.00 C ATOM 868 C SER A 55 5.751 6.264 -2.189 1.00 0.00 C ATOM 869 O SER A 55 6.036 6.121 -1.000 1.00 0.00 O ATOM 870 CB SER A 55 3.303 6.762 -2.322 1.00 0.00 C ATOM 871 OG SER A 55 3.214 7.848 -3.228 1.00 0.00 O ATOM 0 H SER A 55 4.543 4.198 -1.375 1.00 0.00 H new ATOM 0 HA SER A 55 4.468 5.757 -3.823 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.348 6.238 -2.283 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.502 7.137 -1.318 1.00 0.00 H new ATOM 0 HG SER A 55 2.311 7.884 -3.607 1.00 0.00 H new ATOM 877 N VAL A 56 6.573 6.829 -3.067 1.00 0.00 N ATOM 878 CA VAL A 56 7.886 7.327 -2.675 1.00 0.00 C ATOM 879 C VAL A 56 7.786 8.724 -2.071 1.00 0.00 C ATOM 880 O VAL A 56 6.954 9.531 -2.485 1.00 0.00 O ATOM 881 CB VAL A 56 8.852 7.366 -3.873 1.00 0.00 C ATOM 882 CG1 VAL A 56 10.126 8.114 -3.509 1.00 0.00 C ATOM 883 CG2 VAL A 56 9.170 5.955 -4.347 1.00 0.00 C ATOM 0 H VAL A 56 6.353 6.953 -4.055 1.00 0.00 H new ATOM 0 HA VAL A 56 8.275 6.637 -1.926 1.00 0.00 H new ATOM 0 HB VAL A 56 8.367 7.900 -4.691 1.00 0.00 H new ATOM 0 HG11 VAL A 56 10.796 8.131 -4.368 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.878 9.136 -3.222 1.00 0.00 H new ATOM 0 HG13 VAL A 56 10.617 7.612 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.854 6.001 -5.194 1.00 0.00 H new ATOM 0 HG22 VAL A 56 9.635 5.395 -3.536 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.249 5.457 -4.651 1.00 0.00 H new ATOM 893 N GLN A 57 8.640 9.001 -1.092 1.00 0.00 N ATOM 894 CA GLN A 57 8.648 10.301 -0.431 1.00 0.00 C ATOM 895 C GLN A 57 9.003 11.410 -1.416 1.00 0.00 C ATOM 896 O GLN A 57 9.781 11.203 -2.346 1.00 0.00 O ATOM 897 CB GLN A 57 9.641 10.299 0.733 1.00 0.00 C ATOM 898 CG GLN A 57 11.058 10.665 0.324 1.00 0.00 C ATOM 899 CD GLN A 57 11.985 10.827 1.513 1.00 0.00 C ATOM 900 OE1 GLN A 57 11.675 10.388 2.621 1.00 0.00 O ATOM 901 NE2 GLN A 57 13.131 11.458 1.289 1.00 0.00 N ATOM 0 H GLN A 57 9.335 8.343 -0.739 1.00 0.00 H new ATOM 0 HA GLN A 57 7.647 10.490 -0.044 1.00 0.00 H new ATOM 0 HB2 GLN A 57 9.298 11.001 1.493 1.00 0.00 H new ATOM 0 HB3 GLN A 57 9.648 9.310 1.192 1.00 0.00 H new ATOM 0 HG2 GLN A 57 11.452 9.893 -0.337 1.00 0.00 H new ATOM 0 HG3 GLN A 57 11.039 11.594 -0.246 1.00 0.00 H new ATOM 0 HE21 GLN A 57 13.348 11.806 0.355 1.00 0.00 H new ATOM 0 HE22 GLN A 57 13.795 11.595 2.051 1.00 0.00 H new ATOM 910 N GLY A 58 8.426 12.590 -1.205 1.00 0.00 N ATOM 911 CA GLY A 58 8.694 13.714 -2.082 1.00 0.00 C ATOM 912 C GLY A 58 7.935 13.622 -3.391 1.00 0.00 C ATOM 913 O GLY A 58 7.164 14.518 -3.734 1.00 0.00 O ATOM 0 H GLY A 58 7.778 12.787 -0.442 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.425 14.640 -1.574 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.763 13.763 -2.288 1.00 0.00 H new ATOM 917 N SER A 59 8.153 12.535 -4.124 1.00 0.00 N ATOM 918 CA SER A 59 7.487 12.331 -5.406 1.00 0.00 C ATOM 919 C SER A 59 5.986 12.571 -5.282 1.00 0.00 C ATOM 920 O SER A 59 5.319 11.980 -4.434 1.00 0.00 O ATOM 921 CB SER A 59 7.748 10.914 -5.920 1.00 0.00 C ATOM 922 OG SER A 59 9.004 10.832 -6.572 1.00 0.00 O ATOM 0 H SER A 59 8.785 11.782 -3.853 1.00 0.00 H new ATOM 0 HA SER A 59 7.894 13.049 -6.118 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.720 10.211 -5.088 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.956 10.622 -6.610 1.00 0.00 H new ATOM 0 HG SER A 59 9.148 9.916 -6.890 1.00 0.00 H new ATOM 928 N GLY A 60 5.460 13.445 -6.136 1.00 0.00 N ATOM 929 CA GLY A 60 4.041 13.749 -6.107 1.00 0.00 C ATOM 930 C GLY A 60 3.219 12.758 -6.907 1.00 0.00 C ATOM 931 O GLY A 60 2.191 13.115 -7.483 1.00 0.00 O ATOM 0 H GLY A 60 5.991 13.948 -6.847 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.695 13.753 -5.074 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.879 14.752 -6.501 1.00 0.00 H new ATOM 935 N HIS A 61 3.673 11.509 -6.945 1.00 0.00 N ATOM 936 CA HIS A 61 2.973 10.463 -7.682 1.00 0.00 C ATOM 937 C HIS A 61 2.891 9.181 -6.859 1.00 0.00 C ATOM 938 O HIS A 61 3.585 9.031 -5.853 1.00 0.00 O ATOM 939 CB HIS A 61 3.678 10.187 -9.010 1.00 0.00 C ATOM 940 CG HIS A 61 3.900 11.415 -9.837 1.00 0.00 C ATOM 941 ND1 HIS A 61 4.744 12.437 -9.457 1.00 0.00 N ATOM 942 CD2 HIS A 61 3.383 11.783 -11.033 1.00 0.00 C ATOM 943 CE1 HIS A 61 4.736 13.380 -10.381 1.00 0.00 C ATOM 944 NE2 HIS A 61 3.918 13.007 -11.349 1.00 0.00 N ATOM 0 H HIS A 61 4.522 11.197 -6.474 1.00 0.00 H new ATOM 0 HA HIS A 61 1.959 10.810 -7.883 1.00 0.00 H new ATOM 0 HB2 HIS A 61 4.640 9.715 -8.810 1.00 0.00 H new ATOM 0 HB3 HIS A 61 3.087 9.474 -9.585 1.00 0.00 H new ATOM 0 HD2 HIS A 61 2.680 11.218 -11.628 1.00 0.00 H new ATOM 0 HE1 HIS A 61 5.302 14.299 -10.351 1.00 0.00 H new ATOM 0 HE2 HIS A 61 3.717 13.542 -12.194 1.00 0.00 H new ATOM 952 N PHE A 62 2.039 8.258 -7.294 1.00 0.00 N ATOM 953 CA PHE A 62 1.865 6.989 -6.597 1.00 0.00 C ATOM 954 C PHE A 62 2.545 5.854 -7.356 1.00 0.00 C ATOM 955 O PHE A 62 2.096 5.456 -8.430 1.00 0.00 O ATOM 956 CB PHE A 62 0.377 6.680 -6.420 1.00 0.00 C ATOM 957 CG PHE A 62 -0.201 7.223 -5.145 1.00 0.00 C ATOM 958 CD1 PHE A 62 0.079 6.620 -3.929 1.00 0.00 C ATOM 959 CD2 PHE A 62 -1.026 8.336 -5.161 1.00 0.00 C ATOM 960 CE1 PHE A 62 -0.451 7.117 -2.754 1.00 0.00 C ATOM 961 CE2 PHE A 62 -1.558 8.839 -3.989 1.00 0.00 C ATOM 962 CZ PHE A 62 -1.271 8.228 -2.784 1.00 0.00 C ATOM 0 H PHE A 62 1.458 8.365 -8.126 1.00 0.00 H new ATOM 0 HA PHE A 62 2.330 7.076 -5.615 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.175 7.093 -7.264 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.233 5.600 -6.443 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.719 5.751 -3.900 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.256 8.816 -6.101 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.224 6.637 -1.813 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -2.197 9.709 -4.015 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.687 8.618 -1.867 1.00 0.00 H new ATOM 972 N GLN A 63 3.632 5.339 -6.789 1.00 0.00 N ATOM 973 CA GLN A 63 4.375 4.251 -7.413 1.00 0.00 C ATOM 974 C GLN A 63 3.443 3.109 -7.804 1.00 0.00 C ATOM 975 O GLN A 63 3.770 2.295 -8.667 1.00 0.00 O ATOM 976 CB GLN A 63 5.461 3.738 -6.465 1.00 0.00 C ATOM 977 CG GLN A 63 6.811 4.406 -6.668 1.00 0.00 C ATOM 978 CD GLN A 63 6.718 5.919 -6.671 1.00 0.00 C ATOM 979 OE1 GLN A 63 6.167 6.521 -5.749 1.00 0.00 O ATOM 980 NE2 GLN A 63 7.259 6.543 -7.711 1.00 0.00 N ATOM 0 H GLN A 63 4.017 5.658 -5.900 1.00 0.00 H new ATOM 0 HA GLN A 63 4.845 4.637 -8.318 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.138 3.896 -5.436 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.573 2.662 -6.602 1.00 0.00 H new ATOM 0 HG2 GLN A 63 7.492 4.089 -5.878 1.00 0.00 H new ATOM 0 HG3 GLN A 63 7.240 4.070 -7.612 1.00 0.00 H new ATOM 0 HE21 GLN A 63 7.706 6.004 -8.453 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.228 7.561 -7.768 1.00 0.00 H new ATOM 989 N GLY A 64 2.280 3.054 -7.162 1.00 0.00 N ATOM 990 CA GLY A 64 1.319 2.008 -7.456 1.00 0.00 C ATOM 991 C GLY A 64 0.927 1.217 -6.223 1.00 0.00 C ATOM 992 O GLY A 64 1.533 1.368 -5.162 1.00 0.00 O ATOM 0 H GLY A 64 1.987 3.716 -6.443 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.427 2.452 -7.898 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.740 1.331 -8.200 1.00 0.00 H new ATOM 996 N PHE A 65 -0.090 0.373 -6.362 1.00 0.00 N ATOM 997 CA PHE A 65 -0.564 -0.442 -5.249 1.00 0.00 C ATOM 998 C PHE A 65 -0.373 -1.927 -5.544 1.00 0.00 C ATOM 999 O PHE A 65 -0.239 -2.330 -6.699 1.00 0.00 O ATOM 1000 CB PHE A 65 -2.040 -0.152 -4.969 1.00 0.00 C ATOM 1001 CG PHE A 65 -2.979 -0.870 -5.895 1.00 0.00 C ATOM 1002 CD1 PHE A 65 -3.251 -0.365 -7.156 1.00 0.00 C ATOM 1003 CD2 PHE A 65 -3.589 -2.051 -5.505 1.00 0.00 C ATOM 1004 CE1 PHE A 65 -4.115 -1.024 -8.010 1.00 0.00 C ATOM 1005 CE2 PHE A 65 -4.454 -2.715 -6.354 1.00 0.00 C ATOM 1006 CZ PHE A 65 -4.716 -2.201 -7.609 1.00 0.00 C ATOM 0 H PHE A 65 -0.602 0.235 -7.234 1.00 0.00 H new ATOM 0 HA PHE A 65 0.023 -0.186 -4.367 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.269 -0.435 -3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.213 0.921 -5.050 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.783 0.554 -7.475 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.386 -2.458 -4.525 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.320 -0.619 -8.990 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.924 -3.634 -6.037 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.390 -2.719 -8.276 1.00 0.00 H new ATOM 1016 N SER A 66 -0.362 -2.737 -4.490 1.00 0.00 N ATOM 1017 CA SER A 66 -0.183 -4.177 -4.634 1.00 0.00 C ATOM 1018 C SER A 66 -0.951 -4.930 -3.552 1.00 0.00 C ATOM 1019 O SER A 66 -0.856 -4.606 -2.368 1.00 0.00 O ATOM 1020 CB SER A 66 1.302 -4.537 -4.566 1.00 0.00 C ATOM 1021 OG SER A 66 2.092 -3.572 -5.238 1.00 0.00 O ATOM 0 H SER A 66 -0.475 -2.420 -3.527 1.00 0.00 H new ATOM 0 HA SER A 66 -0.576 -4.472 -5.607 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.615 -4.606 -3.524 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.462 -5.518 -5.013 1.00 0.00 H new ATOM 0 HG SER A 66 2.491 -3.975 -6.037 1.00 0.00 H new ATOM 1027 N ARG A 67 -1.711 -5.938 -3.967 1.00 0.00 N ATOM 1028 CA ARG A 67 -2.497 -6.737 -3.035 1.00 0.00 C ATOM 1029 C ARG A 67 -1.647 -7.843 -2.416 1.00 0.00 C ATOM 1030 O ARG A 67 -1.043 -8.646 -3.127 1.00 0.00 O ATOM 1031 CB ARG A 67 -3.707 -7.347 -3.746 1.00 0.00 C ATOM 1032 CG ARG A 67 -3.340 -8.192 -4.955 1.00 0.00 C ATOM 1033 CD ARG A 67 -4.579 -8.722 -5.661 1.00 0.00 C ATOM 1034 NE ARG A 67 -4.253 -9.766 -6.629 1.00 0.00 N ATOM 1035 CZ ARG A 67 -3.968 -11.018 -6.291 1.00 0.00 C ATOM 1036 NH1 ARG A 67 -3.969 -11.381 -5.015 1.00 0.00 N ATOM 1037 NH2 ARG A 67 -3.681 -11.911 -7.229 1.00 0.00 N ATOM 0 H ARG A 67 -1.799 -6.221 -4.943 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.846 -6.080 -2.238 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.262 -7.963 -3.038 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.374 -6.545 -4.063 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.750 -7.596 -5.651 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.714 -9.027 -4.640 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.276 -9.118 -4.922 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.085 -7.902 -6.169 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.244 -9.520 -7.619 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -4.189 -10.698 -4.291 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.750 -12.344 -4.758 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.679 -11.636 -8.211 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.462 -12.872 -6.968 1.00 0.00 H new ATOM 1051 N MET A 68 -1.605 -7.877 -1.089 1.00 0.00 N ATOM 1052 CA MET A 68 -0.829 -8.885 -0.375 1.00 0.00 C ATOM 1053 C MET A 68 -1.223 -10.290 -0.819 1.00 0.00 C ATOM 1054 O MET A 68 -2.407 -10.618 -0.892 1.00 0.00 O ATOM 1055 CB MET A 68 -1.029 -8.739 1.135 1.00 0.00 C ATOM 1056 CG MET A 68 0.174 -9.177 1.953 1.00 0.00 C ATOM 1057 SD MET A 68 0.333 -8.263 3.499 1.00 0.00 S ATOM 1058 CE MET A 68 0.553 -9.605 4.665 1.00 0.00 C ATOM 0 H MET A 68 -2.099 -7.219 -0.486 1.00 0.00 H new ATOM 0 HA MET A 68 0.224 -8.731 -0.611 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.254 -7.697 1.364 1.00 0.00 H new ATOM 0 HB3 MET A 68 -1.896 -9.326 1.437 1.00 0.00 H new ATOM 0 HG2 MET A 68 0.092 -10.242 2.172 1.00 0.00 H new ATOM 0 HG3 MET A 68 1.079 -9.042 1.361 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.736 -9.197 5.659 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.347 -10.220 4.686 1.00 0.00 H new ATOM 0 HE3 MET A 68 1.403 -10.216 4.361 1.00 0.00 H new ATOM 1068 N SER A 69 -0.224 -11.115 -1.114 1.00 0.00 N ATOM 1069 CA SER A 69 -0.467 -12.483 -1.554 1.00 0.00 C ATOM 1070 C SER A 69 -0.086 -13.481 -0.465 1.00 0.00 C ATOM 1071 O SER A 69 -0.657 -14.568 -0.375 1.00 0.00 O ATOM 1072 CB SER A 69 0.323 -12.779 -2.831 1.00 0.00 C ATOM 1073 OG SER A 69 0.324 -14.166 -3.120 1.00 0.00 O ATOM 0 H SER A 69 0.762 -10.860 -1.056 1.00 0.00 H new ATOM 0 HA SER A 69 -1.532 -12.587 -1.761 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.112 -12.231 -3.667 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.348 -12.427 -2.718 1.00 0.00 H new ATOM 0 HG SER A 69 0.834 -14.329 -3.941 1.00 0.00 H new ATOM 1079 N SER A 70 0.884 -13.103 0.362 1.00 0.00 N ATOM 1080 CA SER A 70 1.345 -13.964 1.444 1.00 0.00 C ATOM 1081 C SER A 70 1.484 -13.177 2.744 1.00 0.00 C ATOM 1082 O SER A 70 1.519 -11.947 2.736 1.00 0.00 O ATOM 1083 CB SER A 70 2.684 -14.606 1.078 1.00 0.00 C ATOM 1084 OG SER A 70 2.863 -15.837 1.757 1.00 0.00 O ATOM 0 H SER A 70 1.366 -12.206 0.303 1.00 0.00 H new ATOM 0 HA SER A 70 0.602 -14.748 1.592 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.729 -14.771 0.002 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.498 -13.926 1.331 1.00 0.00 H new ATOM 0 HG SER A 70 3.726 -16.228 1.504 1.00 0.00 H new ATOM 1090 N GLU A 71 1.564 -13.897 3.859 1.00 0.00 N ATOM 1091 CA GLU A 71 1.698 -13.266 5.166 1.00 0.00 C ATOM 1092 C GLU A 71 3.156 -12.919 5.456 1.00 0.00 C ATOM 1093 O GLU A 71 4.046 -13.220 4.660 1.00 0.00 O ATOM 1094 CB GLU A 71 1.155 -14.187 6.260 1.00 0.00 C ATOM 1095 CG GLU A 71 1.859 -15.532 6.329 1.00 0.00 C ATOM 1096 CD GLU A 71 1.118 -16.536 7.190 1.00 0.00 C ATOM 1097 OE1 GLU A 71 1.190 -16.422 8.431 1.00 0.00 O ATOM 1098 OE2 GLU A 71 0.464 -17.436 6.621 1.00 0.00 O ATOM 0 H GLU A 71 1.538 -14.916 3.883 1.00 0.00 H new ATOM 0 HA GLU A 71 1.118 -12.343 5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.250 -13.687 7.224 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.091 -14.352 6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.967 -15.933 5.321 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.865 -15.391 6.726 1.00 0.00 H new ATOM 1105 N ILE A 72 3.391 -12.286 6.600 1.00 0.00 N ATOM 1106 CA ILE A 72 4.740 -11.899 6.995 1.00 0.00 C ATOM 1107 C ILE A 72 5.352 -12.926 7.941 1.00 0.00 C ATOM 1108 O ILE A 72 4.751 -13.290 8.951 1.00 0.00 O ATOM 1109 CB ILE A 72 4.753 -10.518 7.676 1.00 0.00 C ATOM 1110 CG1 ILE A 72 3.969 -9.504 6.839 1.00 0.00 C ATOM 1111 CG2 ILE A 72 6.183 -10.045 7.888 1.00 0.00 C ATOM 1112 CD1 ILE A 72 3.960 -8.111 7.429 1.00 0.00 C ATOM 0 H ILE A 72 2.665 -12.030 7.270 1.00 0.00 H new ATOM 0 HA ILE A 72 5.334 -11.850 6.082 1.00 0.00 H new ATOM 0 HB ILE A 72 4.272 -10.606 8.650 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.398 -9.463 5.838 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.941 -9.851 6.732 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.175 -9.068 8.370 1.00 0.00 H new ATOM 0 HG22 ILE A 72 6.712 -10.758 8.521 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.688 -9.970 6.925 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.386 -7.446 6.783 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.504 -8.138 8.419 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.983 -7.744 7.511 1.00 0.00 H new ATOM 1124 N GLY A 73 6.553 -13.389 7.607 1.00 0.00 N ATOM 1125 CA GLY A 73 7.227 -14.369 8.438 1.00 0.00 C ATOM 1126 C GLY A 73 8.415 -15.001 7.741 1.00 0.00 C ATOM 1127 O GLY A 73 9.332 -14.303 7.307 1.00 0.00 O ATOM 0 H GLY A 73 7.071 -13.103 6.776 1.00 0.00 H new ATOM 0 HA2 GLY A 73 7.562 -13.891 9.359 1.00 0.00 H new ATOM 0 HA3 GLY A 73 6.520 -15.148 8.722 1.00 0.00 H new ATOM 1131 N ARG A 74 8.402 -16.326 7.635 1.00 0.00 N ATOM 1132 CA ARG A 74 9.488 -17.052 6.989 1.00 0.00 C ATOM 1133 C ARG A 74 10.068 -16.245 5.830 1.00 0.00 C ATOM 1134 O ARG A 74 11.277 -16.030 5.755 1.00 0.00 O ATOM 1135 CB ARG A 74 8.993 -18.408 6.483 1.00 0.00 C ATOM 1136 CG ARG A 74 10.114 -19.355 6.084 1.00 0.00 C ATOM 1137 CD ARG A 74 10.848 -19.893 7.302 1.00 0.00 C ATOM 1138 NE ARG A 74 10.099 -20.958 7.966 1.00 0.00 N ATOM 1139 CZ ARG A 74 10.600 -21.712 8.937 1.00 0.00 C ATOM 1140 NH1 ARG A 74 11.843 -21.520 9.357 1.00 0.00 N ATOM 1141 NH2 ARG A 74 9.857 -22.661 9.492 1.00 0.00 N ATOM 0 H ARG A 74 7.651 -16.918 7.989 1.00 0.00 H new ATOM 0 HA ARG A 74 10.274 -17.212 7.727 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.391 -18.878 7.260 1.00 0.00 H new ATOM 0 HB3 ARG A 74 8.340 -18.250 5.625 1.00 0.00 H new ATOM 0 HG2 ARG A 74 9.703 -20.185 5.509 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.818 -18.835 5.434 1.00 0.00 H new ATOM 0 HD2 ARG A 74 11.825 -20.271 6.999 1.00 0.00 H new ATOM 0 HD3 ARG A 74 11.025 -19.081 8.007 1.00 0.00 H new ATOM 0 HE ARG A 74 9.139 -21.131 7.667 1.00 0.00 H new ATOM 0 HH11 ARG A 74 12.417 -20.791 8.934 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.225 -22.101 10.103 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.900 -22.812 9.173 1.00 0.00 H new ATOM 0 HH22 ARG A 74 10.243 -23.240 10.238 1.00 0.00 H new ATOM 1155 N GLU A 75 9.196 -15.802 4.930 1.00 0.00 N ATOM 1156 CA GLU A 75 9.622 -15.020 3.775 1.00 0.00 C ATOM 1157 C GLU A 75 10.691 -14.005 4.170 1.00 0.00 C ATOM 1158 O GLU A 75 10.516 -13.239 5.117 1.00 0.00 O ATOM 1159 CB GLU A 75 8.425 -14.300 3.149 1.00 0.00 C ATOM 1160 CG GLU A 75 7.715 -15.115 2.082 1.00 0.00 C ATOM 1161 CD GLU A 75 8.677 -15.756 1.101 1.00 0.00 C ATOM 1162 OE1 GLU A 75 9.045 -15.092 0.109 1.00 0.00 O ATOM 1163 OE2 GLU A 75 9.062 -16.923 1.325 1.00 0.00 O ATOM 0 H GLU A 75 8.191 -15.971 4.978 1.00 0.00 H new ATOM 0 HA GLU A 75 10.049 -15.705 3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 75 7.713 -14.046 3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 75 8.765 -13.361 2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.119 -15.892 2.560 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.023 -14.471 1.539 1.00 0.00 H new ATOM 1170 N LYS A 76 11.799 -14.007 3.436 1.00 0.00 N ATOM 1171 CA LYS A 76 12.897 -13.087 3.707 1.00 0.00 C ATOM 1172 C LYS A 76 13.584 -12.664 2.412 1.00 0.00 C ATOM 1173 O LYS A 76 13.220 -13.119 1.328 1.00 0.00 O ATOM 1174 CB LYS A 76 13.914 -13.737 4.647 1.00 0.00 C ATOM 1175 CG LYS A 76 13.584 -13.556 6.119 1.00 0.00 C ATOM 1176 CD LYS A 76 14.104 -12.230 6.648 1.00 0.00 C ATOM 1177 CE LYS A 76 13.484 -11.884 7.993 1.00 0.00 C ATOM 1178 NZ LYS A 76 14.224 -10.790 8.680 1.00 0.00 N ATOM 0 H LYS A 76 11.960 -14.636 2.649 1.00 0.00 H new ATOM 0 HA LYS A 76 12.484 -12.199 4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 76 13.972 -14.802 4.425 1.00 0.00 H new ATOM 0 HB3 LYS A 76 14.900 -13.316 4.450 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.504 -13.607 6.260 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.019 -14.374 6.694 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.188 -12.277 6.748 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.884 -11.439 5.931 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.446 -11.585 7.848 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.475 -12.770 8.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.770 -10.584 9.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 15.208 -11.085 8.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.211 -9.936 8.086 1.00 0.00 H new ATOM 1192 N SER A 77 14.581 -11.793 2.534 1.00 0.00 N ATOM 1193 CA SER A 77 15.317 -11.307 1.372 1.00 0.00 C ATOM 1194 C SER A 77 16.674 -10.744 1.786 1.00 0.00 C ATOM 1195 O SER A 77 16.898 -10.434 2.956 1.00 0.00 O ATOM 1196 CB SER A 77 14.509 -10.234 0.641 1.00 0.00 C ATOM 1197 OG SER A 77 14.809 -10.225 -0.744 1.00 0.00 O ATOM 0 H SER A 77 14.897 -11.410 3.425 1.00 0.00 H new ATOM 0 HA SER A 77 15.481 -12.149 0.699 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.444 -10.416 0.784 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.726 -9.256 1.070 1.00 0.00 H new ATOM 0 HG SER A 77 14.278 -9.532 -1.189 1.00 0.00 H new ATOM 1203 N GLN A 78 17.575 -10.617 0.817 1.00 0.00 N ATOM 1204 CA GLN A 78 18.909 -10.092 1.080 1.00 0.00 C ATOM 1205 C GLN A 78 19.013 -8.631 0.657 1.00 0.00 C ATOM 1206 O GLN A 78 19.387 -7.769 1.452 1.00 0.00 O ATOM 1207 CB GLN A 78 19.961 -10.924 0.345 1.00 0.00 C ATOM 1208 CG GLN A 78 20.026 -12.371 0.809 1.00 0.00 C ATOM 1209 CD GLN A 78 21.057 -13.182 0.049 1.00 0.00 C ATOM 1210 OE1 GLN A 78 22.232 -12.820 -0.005 1.00 0.00 O ATOM 1211 NE2 GLN A 78 20.620 -14.287 -0.544 1.00 0.00 N ATOM 0 H GLN A 78 17.405 -10.870 -0.156 1.00 0.00 H new ATOM 0 HA GLN A 78 19.091 -10.154 2.153 1.00 0.00 H new ATOM 0 HB2 GLN A 78 19.747 -10.903 -0.724 1.00 0.00 H new ATOM 0 HB3 GLN A 78 20.939 -10.463 0.483 1.00 0.00 H new ATOM 0 HG2 GLN A 78 20.261 -12.397 1.873 1.00 0.00 H new ATOM 0 HG3 GLN A 78 19.046 -12.832 0.688 1.00 0.00 H new ATOM 0 HE21 GLN A 78 19.637 -14.549 -0.473 1.00 0.00 H new ATOM 0 HE22 GLN A 78 21.268 -14.874 -1.070 1.00 0.00 H new ATOM 1220 N ASP A 79 18.681 -8.359 -0.601 1.00 0.00 N ATOM 1221 CA ASP A 79 18.736 -7.002 -1.130 1.00 0.00 C ATOM 1222 C ASP A 79 17.695 -6.113 -0.456 1.00 0.00 C ATOM 1223 O ASP A 79 16.511 -6.448 -0.416 1.00 0.00 O ATOM 1224 CB ASP A 79 18.513 -7.012 -2.643 1.00 0.00 C ATOM 1225 CG ASP A 79 19.800 -7.222 -3.416 1.00 0.00 C ATOM 1226 OD1 ASP A 79 20.426 -8.290 -3.248 1.00 0.00 O ATOM 1227 OD2 ASP A 79 20.181 -6.319 -4.190 1.00 0.00 O ATOM 0 H ASP A 79 18.371 -9.061 -1.273 1.00 0.00 H new ATOM 0 HA ASP A 79 19.725 -6.596 -0.919 1.00 0.00 H new ATOM 0 HB2 ASP A 79 17.806 -7.802 -2.898 1.00 0.00 H new ATOM 0 HB3 ASP A 79 18.060 -6.068 -2.947 1.00 0.00 H new ATOM 1232 N TRP A 80 18.145 -4.980 0.072 1.00 0.00 N ATOM 1233 CA TRP A 80 17.252 -4.044 0.745 1.00 0.00 C ATOM 1234 C TRP A 80 17.967 -2.732 1.048 1.00 0.00 C ATOM 1235 O TRP A 80 19.114 -2.728 1.493 1.00 0.00 O ATOM 1236 CB TRP A 80 16.717 -4.659 2.040 1.00 0.00 C ATOM 1237 CG TRP A 80 15.487 -5.491 1.838 1.00 0.00 C ATOM 1238 CD1 TRP A 80 15.270 -6.757 2.301 1.00 0.00 C ATOM 1239 CD2 TRP A 80 14.307 -5.116 1.120 1.00 0.00 C ATOM 1240 NE1 TRP A 80 14.025 -7.192 1.913 1.00 0.00 N ATOM 1241 CE2 TRP A 80 13.414 -6.203 1.188 1.00 0.00 C ATOM 1242 CE3 TRP A 80 13.916 -3.967 0.427 1.00 0.00 C ATOM 1243 CZ2 TRP A 80 12.158 -6.174 0.589 1.00 0.00 C ATOM 1244 CZ3 TRP A 80 12.669 -3.939 -0.168 1.00 0.00 C ATOM 1245 CH2 TRP A 80 11.801 -5.036 -0.083 1.00 0.00 C ATOM 0 H TRP A 80 19.122 -4.688 0.047 1.00 0.00 H new ATOM 0 HA TRP A 80 16.416 -3.835 0.078 1.00 0.00 H new ATOM 0 HB2 TRP A 80 17.495 -5.276 2.489 1.00 0.00 H new ATOM 0 HB3 TRP A 80 16.495 -3.861 2.748 1.00 0.00 H new ATOM 0 HD1 TRP A 80 15.973 -7.332 2.886 1.00 0.00 H new ATOM 0 HE1 TRP A 80 13.622 -8.103 2.130 1.00 0.00 H new ATOM 0 HE3 TRP A 80 14.577 -3.116 0.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 11.489 -7.019 0.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 12.358 -3.057 -0.708 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.832 -4.983 -0.557 1.00 0.00 H new ATOM 1256 N GLY A 81 17.282 -1.619 0.805 1.00 0.00 N ATOM 1257 CA GLY A 81 17.869 -0.316 1.058 1.00 0.00 C ATOM 1258 C GLY A 81 18.078 -0.052 2.536 1.00 0.00 C ATOM 1259 O GLY A 81 19.097 0.513 2.934 1.00 0.00 O ATOM 0 H GLY A 81 16.331 -1.596 0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.826 -0.245 0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.223 0.457 0.642 1.00 0.00 H new ATOM 1263 N SER A 82 17.112 -0.461 3.352 1.00 0.00 N ATOM 1264 CA SER A 82 17.193 -0.261 4.794 1.00 0.00 C ATOM 1265 C SER A 82 17.431 -1.584 5.514 1.00 0.00 C ATOM 1266 O SER A 82 16.714 -2.560 5.296 1.00 0.00 O ATOM 1267 CB SER A 82 15.909 0.391 5.312 1.00 0.00 C ATOM 1268 OG SER A 82 15.973 1.802 5.204 1.00 0.00 O ATOM 0 H SER A 82 16.264 -0.933 3.039 1.00 0.00 H new ATOM 0 HA SER A 82 18.036 0.400 4.998 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.055 0.018 4.747 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.749 0.110 6.353 1.00 0.00 H new ATOM 0 HG SER A 82 15.140 2.194 5.540 1.00 0.00 H new ATOM 1274 N ALA A 83 18.445 -1.609 6.373 1.00 0.00 N ATOM 1275 CA ALA A 83 18.779 -2.811 7.127 1.00 0.00 C ATOM 1276 C ALA A 83 17.804 -3.023 8.280 1.00 0.00 C ATOM 1277 O ALA A 83 17.526 -4.156 8.670 1.00 0.00 O ATOM 1278 CB ALA A 83 20.206 -2.729 7.647 1.00 0.00 C ATOM 0 H ALA A 83 19.050 -0.810 6.564 1.00 0.00 H new ATOM 0 HA ALA A 83 18.698 -3.666 6.456 1.00 0.00 H new ATOM 0 HB1 ALA A 83 20.441 -3.633 8.208 1.00 0.00 H new ATOM 0 HB2 ALA A 83 20.894 -2.633 6.807 1.00 0.00 H new ATOM 0 HB3 ALA A 83 20.306 -1.861 8.299 1.00 0.00 H new ATOM 1284 N GLY A 84 17.289 -1.924 8.823 1.00 0.00 N ATOM 1285 CA GLY A 84 16.352 -2.012 9.928 1.00 0.00 C ATOM 1286 C GLY A 84 15.026 -2.622 9.517 1.00 0.00 C ATOM 1287 O GLY A 84 14.042 -1.910 9.316 1.00 0.00 O ATOM 0 H GLY A 84 17.504 -0.975 8.518 1.00 0.00 H new ATOM 0 HA2 GLY A 84 16.792 -2.610 10.726 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.180 -1.015 10.334 1.00 0.00 H new ATOM 1291 N LEU A 85 15.000 -3.944 9.389 1.00 0.00 N ATOM 1292 CA LEU A 85 13.785 -4.651 8.997 1.00 0.00 C ATOM 1293 C LEU A 85 13.606 -5.923 9.819 1.00 0.00 C ATOM 1294 O LEU A 85 14.526 -6.366 10.505 1.00 0.00 O ATOM 1295 CB LEU A 85 13.830 -4.995 7.507 1.00 0.00 C ATOM 1296 CG LEU A 85 13.883 -3.807 6.545 1.00 0.00 C ATOM 1297 CD1 LEU A 85 14.405 -4.244 5.185 1.00 0.00 C ATOM 1298 CD2 LEU A 85 12.509 -3.168 6.410 1.00 0.00 C ATOM 0 H LEU A 85 15.806 -4.548 9.551 1.00 0.00 H new ATOM 0 HA LEU A 85 12.935 -3.995 9.187 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.702 -5.623 7.326 1.00 0.00 H new ATOM 0 HB3 LEU A 85 12.951 -5.593 7.266 1.00 0.00 H new ATOM 0 HG LEU A 85 14.569 -3.064 6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.436 -3.386 4.514 1.00 0.00 H new ATOM 0 HD12 LEU A 85 15.409 -4.654 5.295 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.745 -5.006 4.770 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.566 -2.325 5.722 1.00 0.00 H new ATOM 0 HD22 LEU A 85 11.802 -3.903 6.025 1.00 0.00 H new ATOM 0 HD23 LEU A 85 12.173 -2.818 7.386 1.00 0.00 H new ATOM 1310 N GLY A 86 12.414 -6.508 9.742 1.00 0.00 N ATOM 1311 CA GLY A 86 12.136 -7.725 10.482 1.00 0.00 C ATOM 1312 C GLY A 86 10.840 -8.382 10.052 1.00 0.00 C ATOM 1313 O GLY A 86 9.807 -8.216 10.700 1.00 0.00 O ATOM 0 H GLY A 86 11.636 -6.161 9.181 1.00 0.00 H new ATOM 0 HA2 GLY A 86 12.959 -8.427 10.344 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.088 -7.496 11.547 1.00 0.00 H new ATOM 1317 N GLY A 87 10.892 -9.129 8.954 1.00 0.00 N ATOM 1318 CA GLY A 87 9.706 -9.801 8.456 1.00 0.00 C ATOM 1319 C GLY A 87 9.329 -9.351 7.058 1.00 0.00 C ATOM 1320 O GLY A 87 8.772 -8.268 6.875 1.00 0.00 O ATOM 0 H GLY A 87 11.735 -9.281 8.400 1.00 0.00 H new ATOM 0 HA2 GLY A 87 9.876 -10.878 8.454 1.00 0.00 H new ATOM 0 HA3 GLY A 87 8.873 -9.611 9.133 1.00 0.00 H new ATOM 1324 N VAL A 88 9.635 -10.183 6.068 1.00 0.00 N ATOM 1325 CA VAL A 88 9.325 -9.865 4.679 1.00 0.00 C ATOM 1326 C VAL A 88 8.166 -10.712 4.166 1.00 0.00 C ATOM 1327 O VAL A 88 7.996 -11.862 4.572 1.00 0.00 O ATOM 1328 CB VAL A 88 10.548 -10.083 3.767 1.00 0.00 C ATOM 1329 CG1 VAL A 88 10.190 -9.794 2.317 1.00 0.00 C ATOM 1330 CG2 VAL A 88 11.711 -9.215 4.221 1.00 0.00 C ATOM 0 H VAL A 88 10.097 -11.082 6.202 1.00 0.00 H new ATOM 0 HA VAL A 88 9.042 -8.813 4.651 1.00 0.00 H new ATOM 0 HB VAL A 88 10.853 -11.127 3.840 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.065 -9.953 1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.389 -10.462 2.000 1.00 0.00 H new ATOM 0 HG13 VAL A 88 9.859 -8.760 2.223 1.00 0.00 H new ATOM 0 HG21 VAL A 88 12.566 -9.381 3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.420 -8.165 4.178 1.00 0.00 H new ATOM 0 HG23 VAL A 88 11.981 -9.475 5.244 1.00 0.00 H new ATOM 1340 N PHE A 89 7.369 -10.136 3.272 1.00 0.00 N ATOM 1341 CA PHE A 89 6.224 -10.838 2.704 1.00 0.00 C ATOM 1342 C PHE A 89 6.102 -10.557 1.209 1.00 0.00 C ATOM 1343 O PHE A 89 6.732 -9.639 0.684 1.00 0.00 O ATOM 1344 CB PHE A 89 4.938 -10.422 3.420 1.00 0.00 C ATOM 1345 CG PHE A 89 4.686 -8.942 3.389 1.00 0.00 C ATOM 1346 CD1 PHE A 89 5.400 -8.087 4.214 1.00 0.00 C ATOM 1347 CD2 PHE A 89 3.736 -8.404 2.536 1.00 0.00 C ATOM 1348 CE1 PHE A 89 5.170 -6.725 4.188 1.00 0.00 C ATOM 1349 CE2 PHE A 89 3.502 -7.042 2.505 1.00 0.00 C ATOM 1350 CZ PHE A 89 4.221 -6.201 3.332 1.00 0.00 C ATOM 0 H PHE A 89 7.495 -9.185 2.925 1.00 0.00 H new ATOM 0 HA PHE A 89 6.379 -11.908 2.843 1.00 0.00 H new ATOM 0 HB2 PHE A 89 4.094 -10.936 2.961 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.986 -10.753 4.458 1.00 0.00 H new ATOM 0 HD1 PHE A 89 6.144 -8.490 4.885 1.00 0.00 H new ATOM 0 HD2 PHE A 89 3.171 -9.057 1.887 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.732 -6.070 4.837 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.758 -6.636 1.835 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.042 -5.136 3.309 1.00 0.00 H new ATOM 1360 N LYS A 90 5.286 -11.354 0.528 1.00 0.00 N ATOM 1361 CA LYS A 90 5.078 -11.193 -0.906 1.00 0.00 C ATOM 1362 C LYS A 90 4.005 -10.146 -1.186 1.00 0.00 C ATOM 1363 O LYS A 90 3.257 -9.754 -0.290 1.00 0.00 O ATOM 1364 CB LYS A 90 4.679 -12.529 -1.537 1.00 0.00 C ATOM 1365 CG LYS A 90 5.862 -13.354 -2.014 1.00 0.00 C ATOM 1366 CD LYS A 90 5.464 -14.796 -2.281 1.00 0.00 C ATOM 1367 CE LYS A 90 5.559 -15.643 -1.021 1.00 0.00 C ATOM 1368 NZ LYS A 90 5.437 -17.097 -1.319 1.00 0.00 N ATOM 0 H LYS A 90 4.757 -12.119 0.947 1.00 0.00 H new ATOM 0 HA LYS A 90 6.015 -10.854 -1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 90 4.112 -13.110 -0.810 1.00 0.00 H new ATOM 0 HB3 LYS A 90 4.016 -12.339 -2.381 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.271 -12.914 -2.924 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.652 -13.327 -1.264 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.445 -14.828 -2.666 1.00 0.00 H new ATOM 0 HD3 LYS A 90 6.110 -15.216 -3.052 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.511 -15.452 -0.526 1.00 0.00 H new ATOM 0 HE3 LYS A 90 4.774 -15.348 -0.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.507 -17.640 -0.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.518 -17.283 -1.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.201 -17.385 -1.963 1.00 0.00 H new ATOM 1382 N VAL A 91 3.934 -9.698 -2.435 1.00 0.00 N ATOM 1383 CA VAL A 91 2.950 -8.698 -2.834 1.00 0.00 C ATOM 1384 C VAL A 91 2.612 -8.819 -4.315 1.00 0.00 C ATOM 1385 O VAL A 91 3.494 -9.029 -5.148 1.00 0.00 O ATOM 1386 CB VAL A 91 3.454 -7.270 -2.549 1.00 0.00 C ATOM 1387 CG1 VAL A 91 3.366 -6.959 -1.063 1.00 0.00 C ATOM 1388 CG2 VAL A 91 4.878 -7.098 -3.055 1.00 0.00 C ATOM 0 H VAL A 91 4.546 -10.011 -3.188 1.00 0.00 H new ATOM 0 HA VAL A 91 2.053 -8.884 -2.244 1.00 0.00 H new ATOM 0 HB VAL A 91 2.816 -6.565 -3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 91 3.726 -5.946 -0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.330 -7.040 -0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.979 -7.668 -0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.218 -6.084 -2.846 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.531 -7.811 -2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.906 -7.276 -4.130 1.00 0.00 H new ATOM 1398 N GLU A 92 1.329 -8.686 -4.637 1.00 0.00 N ATOM 1399 CA GLU A 92 0.875 -8.782 -6.019 1.00 0.00 C ATOM 1400 C GLU A 92 0.706 -7.395 -6.633 1.00 0.00 C ATOM 1401 O GLU A 92 -0.165 -6.626 -6.228 1.00 0.00 O ATOM 1402 CB GLU A 92 -0.448 -9.548 -6.093 1.00 0.00 C ATOM 1403 CG GLU A 92 -0.637 -10.311 -7.393 1.00 0.00 C ATOM 1404 CD GLU A 92 0.601 -11.085 -7.801 1.00 0.00 C ATOM 1405 OE1 GLU A 92 0.750 -12.243 -7.357 1.00 0.00 O ATOM 1406 OE2 GLU A 92 1.422 -10.533 -8.563 1.00 0.00 O ATOM 0 H GLU A 92 0.586 -8.512 -3.960 1.00 0.00 H new ATOM 0 HA GLU A 92 1.632 -9.323 -6.586 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -0.500 -10.248 -5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.272 -8.845 -5.971 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.474 -11.001 -7.286 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -0.901 -9.611 -8.186 1.00 0.00 H new ATOM 1413 N TRP A 93 1.547 -7.083 -7.613 1.00 0.00 N ATOM 1414 CA TRP A 93 1.493 -5.789 -8.283 1.00 0.00 C ATOM 1415 C TRP A 93 0.414 -5.779 -9.361 1.00 0.00 C ATOM 1416 O TRP A 93 0.353 -6.678 -10.199 1.00 0.00 O ATOM 1417 CB TRP A 93 2.851 -5.454 -8.902 1.00 0.00 C ATOM 1418 CG TRP A 93 3.869 -5.009 -7.895 1.00 0.00 C ATOM 1419 CD1 TRP A 93 4.773 -5.797 -7.241 1.00 0.00 C ATOM 1420 CD2 TRP A 93 4.084 -3.674 -7.427 1.00 0.00 C ATOM 1421 NE1 TRP A 93 5.537 -5.031 -6.394 1.00 0.00 N ATOM 1422 CE2 TRP A 93 5.135 -3.725 -6.490 1.00 0.00 C ATOM 1423 CE3 TRP A 93 3.493 -2.439 -7.708 1.00 0.00 C ATOM 1424 CZ2 TRP A 93 5.604 -2.590 -5.835 1.00 0.00 C ATOM 1425 CZ3 TRP A 93 3.959 -1.313 -7.057 1.00 0.00 C ATOM 1426 CH2 TRP A 93 5.007 -1.394 -6.130 1.00 0.00 C ATOM 0 H TRP A 93 2.274 -7.708 -7.961 1.00 0.00 H new ATOM 0 HA TRP A 93 1.245 -5.033 -7.538 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.229 -6.331 -9.427 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.719 -4.669 -9.646 1.00 0.00 H new ATOM 0 HD1 TRP A 93 4.873 -6.865 -7.371 1.00 0.00 H new ATOM 0 HE1 TRP A 93 6.283 -5.379 -5.791 1.00 0.00 H new ATOM 0 HE3 TRP A 93 2.686 -2.366 -8.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 6.410 -2.651 -5.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 3.508 -0.354 -7.266 1.00 0.00 H new ATOM 0 HH2 TRP A 93 5.350 -0.495 -5.639 1.00 0.00 H new ATOM 1437 N ILE A 94 -0.436 -4.757 -9.332 1.00 0.00 N ATOM 1438 CA ILE A 94 -1.511 -4.631 -10.307 1.00 0.00 C ATOM 1439 C ILE A 94 -1.155 -3.618 -11.390 1.00 0.00 C ATOM 1440 O ILE A 94 -1.228 -3.917 -12.582 1.00 0.00 O ATOM 1441 CB ILE A 94 -2.832 -4.207 -9.638 1.00 0.00 C ATOM 1442 CG1 ILE A 94 -3.169 -5.151 -8.482 1.00 0.00 C ATOM 1443 CG2 ILE A 94 -3.960 -4.186 -10.658 1.00 0.00 C ATOM 1444 CD1 ILE A 94 -2.410 -4.844 -7.210 1.00 0.00 C ATOM 0 H ILE A 94 -0.400 -4.005 -8.644 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.642 -5.614 -10.760 1.00 0.00 H new ATOM 0 HB ILE A 94 -2.713 -3.200 -9.238 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -4.239 -5.097 -8.279 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.954 -6.175 -8.786 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.887 -3.885 -10.170 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.720 -3.477 -11.451 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.082 -5.181 -11.086 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -2.699 -5.553 -6.434 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -1.339 -4.927 -7.396 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.644 -3.831 -6.882 1.00 0.00 H new ATOM 1456 N ARG A 95 -0.768 -2.419 -10.967 1.00 0.00 N ATOM 1457 CA ARG A 95 -0.399 -1.362 -11.901 1.00 0.00 C ATOM 1458 C ARG A 95 0.901 -0.687 -11.472 1.00 0.00 C ATOM 1459 O ARG A 95 1.060 -0.300 -10.314 1.00 0.00 O ATOM 1460 CB ARG A 95 -1.518 -0.323 -11.995 1.00 0.00 C ATOM 1461 CG ARG A 95 -2.873 -0.917 -12.348 1.00 0.00 C ATOM 1462 CD ARG A 95 -3.042 -1.064 -13.852 1.00 0.00 C ATOM 1463 NE ARG A 95 -2.112 -2.039 -14.415 1.00 0.00 N ATOM 1464 CZ ARG A 95 -1.822 -2.116 -15.709 1.00 0.00 C ATOM 1465 NH1 ARG A 95 -2.386 -1.280 -16.569 1.00 0.00 N ATOM 1466 NH2 ARG A 95 -0.965 -3.031 -16.145 1.00 0.00 N ATOM 0 H ARG A 95 -0.702 -2.155 -9.984 1.00 0.00 H new ATOM 0 HA ARG A 95 -0.248 -1.814 -12.881 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.597 0.200 -11.042 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -1.250 0.420 -12.746 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -2.979 -1.892 -11.872 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -3.665 -0.281 -11.952 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -4.065 -1.369 -14.074 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -2.887 -0.097 -14.330 1.00 0.00 H new ATOM 0 HE ARG A 95 -1.660 -2.697 -13.780 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -3.045 -0.575 -16.238 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.161 -1.341 -17.562 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -0.528 -3.676 -15.486 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -0.743 -3.089 -17.139 1.00 0.00 H new ATOM 1480 N LYS A 96 1.828 -0.550 -12.414 1.00 0.00 N ATOM 1481 CA LYS A 96 3.114 0.079 -12.136 1.00 0.00 C ATOM 1482 C LYS A 96 3.162 1.494 -12.704 1.00 0.00 C ATOM 1483 O LYS A 96 4.237 2.069 -12.868 1.00 0.00 O ATOM 1484 CB LYS A 96 4.251 -0.758 -12.726 1.00 0.00 C ATOM 1485 CG LYS A 96 4.415 -2.115 -12.064 1.00 0.00 C ATOM 1486 CD LYS A 96 5.469 -2.955 -12.766 1.00 0.00 C ATOM 1487 CE LYS A 96 5.908 -4.131 -11.907 1.00 0.00 C ATOM 1488 NZ LYS A 96 5.050 -5.328 -12.126 1.00 0.00 N ATOM 0 H LYS A 96 1.713 -0.866 -13.377 1.00 0.00 H new ATOM 0 HA LYS A 96 3.236 0.137 -11.054 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.070 -0.902 -13.791 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.185 -0.203 -12.634 1.00 0.00 H new ATOM 0 HG2 LYS A 96 4.693 -1.980 -11.019 1.00 0.00 H new ATOM 0 HG3 LYS A 96 3.462 -2.643 -12.074 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.072 -3.323 -13.712 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.333 -2.334 -13.003 1.00 0.00 H new ATOM 0 HE2 LYS A 96 6.944 -4.380 -12.135 1.00 0.00 H new ATOM 0 HE3 LYS A 96 5.872 -3.846 -10.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 5.381 -6.108 -11.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 4.065 -5.098 -11.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.104 -5.616 -13.124 1.00 0.00 H new ATOM 1502 N GLU A 97 1.991 2.048 -13.000 1.00 0.00 N ATOM 1503 CA GLU A 97 1.901 3.396 -13.549 1.00 0.00 C ATOM 1504 C GLU A 97 1.877 4.437 -12.433 1.00 0.00 C ATOM 1505 O GLU A 97 1.203 4.260 -11.419 1.00 0.00 O ATOM 1506 CB GLU A 97 0.650 3.535 -14.418 1.00 0.00 C ATOM 1507 CG GLU A 97 0.683 4.738 -15.345 1.00 0.00 C ATOM 1508 CD GLU A 97 1.370 4.440 -16.663 1.00 0.00 C ATOM 1509 OE1 GLU A 97 1.368 3.264 -17.081 1.00 0.00 O ATOM 1510 OE2 GLU A 97 1.910 5.385 -17.277 1.00 0.00 O ATOM 0 H GLU A 97 1.092 1.585 -12.869 1.00 0.00 H new ATOM 0 HA GLU A 97 2.783 3.569 -14.165 1.00 0.00 H new ATOM 0 HB2 GLU A 97 0.530 2.631 -15.014 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -0.225 3.609 -13.772 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -0.337 5.071 -15.538 1.00 0.00 H new ATOM 0 HG3 GLU A 97 1.198 5.560 -14.849 1.00 0.00 H new ATOM 1517 N SER A 98 2.619 5.523 -12.628 1.00 0.00 N ATOM 1518 CA SER A 98 2.687 6.590 -11.638 1.00 0.00 C ATOM 1519 C SER A 98 1.489 7.527 -11.765 1.00 0.00 C ATOM 1520 O SER A 98 1.259 8.119 -12.820 1.00 0.00 O ATOM 1521 CB SER A 98 3.986 7.382 -11.798 1.00 0.00 C ATOM 1522 OG SER A 98 5.016 6.569 -12.334 1.00 0.00 O ATOM 0 H SER A 98 3.181 5.686 -13.463 1.00 0.00 H new ATOM 0 HA SER A 98 2.667 6.134 -10.648 1.00 0.00 H new ATOM 0 HB2 SER A 98 3.816 8.237 -12.452 1.00 0.00 H new ATOM 0 HB3 SER A 98 4.296 7.777 -10.831 1.00 0.00 H new ATOM 0 HG SER A 98 5.835 7.099 -12.428 1.00 0.00 H new ATOM 1528 N LEU A 99 0.729 7.655 -10.683 1.00 0.00 N ATOM 1529 CA LEU A 99 -0.446 8.519 -10.672 1.00 0.00 C ATOM 1530 C LEU A 99 -0.182 9.788 -9.867 1.00 0.00 C ATOM 1531 O LEU A 99 0.209 9.741 -8.701 1.00 0.00 O ATOM 1532 CB LEU A 99 -1.647 7.773 -10.090 1.00 0.00 C ATOM 1533 CG LEU A 99 -2.909 8.606 -9.860 1.00 0.00 C ATOM 1534 CD1 LEU A 99 -3.663 8.802 -11.166 1.00 0.00 C ATOM 1535 CD2 LEU A 99 -3.802 7.945 -8.820 1.00 0.00 C ATOM 0 H LEU A 99 0.905 7.172 -9.802 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.667 8.803 -11.701 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.897 6.950 -10.759 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.349 7.332 -9.139 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.612 9.585 -9.485 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -4.558 9.397 -10.984 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.023 9.319 -11.881 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -3.949 7.831 -11.570 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -4.695 8.551 -8.669 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -4.091 6.953 -9.167 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -3.260 7.857 -7.878 1.00 0.00 H new ATOM 1547 N PRO A 100 -0.402 10.949 -10.502 1.00 0.00 N ATOM 1548 CA PRO A 100 -0.197 12.252 -9.862 1.00 0.00 C ATOM 1549 C PRO A 100 -1.232 12.535 -8.779 1.00 0.00 C ATOM 1550 O PRO A 100 -2.426 12.307 -8.972 1.00 0.00 O ATOM 1551 CB PRO A 100 -0.349 13.242 -11.019 1.00 0.00 C ATOM 1552 CG PRO A 100 -1.211 12.538 -12.010 1.00 0.00 C ATOM 1553 CD PRO A 100 -0.869 11.078 -11.892 1.00 0.00 C ATOM 0 HA PRO A 100 0.767 12.311 -9.356 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -0.808 14.173 -10.686 1.00 0.00 H new ATOM 0 HB3 PRO A 100 0.619 13.500 -11.449 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.267 12.710 -11.801 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -1.023 12.903 -13.020 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.735 10.445 -12.085 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.097 10.787 -12.604 1.00 0.00 H new ATOM 1561 N PHE A 101 -0.766 13.034 -7.639 1.00 0.00 N ATOM 1562 CA PHE A 101 -1.652 13.348 -6.523 1.00 0.00 C ATOM 1563 C PHE A 101 -2.836 14.189 -6.990 1.00 0.00 C ATOM 1564 O PHE A 101 -3.963 13.999 -6.534 1.00 0.00 O ATOM 1565 CB PHE A 101 -0.884 14.091 -5.428 1.00 0.00 C ATOM 1566 CG PHE A 101 -0.128 13.181 -4.503 1.00 0.00 C ATOM 1567 CD1 PHE A 101 -0.781 12.169 -3.818 1.00 0.00 C ATOM 1568 CD2 PHE A 101 1.236 13.337 -4.319 1.00 0.00 C ATOM 1569 CE1 PHE A 101 -0.088 11.331 -2.966 1.00 0.00 C ATOM 1570 CE2 PHE A 101 1.935 12.501 -3.468 1.00 0.00 C ATOM 1571 CZ PHE A 101 1.272 11.497 -2.791 1.00 0.00 C ATOM 0 H PHE A 101 0.219 13.230 -7.463 1.00 0.00 H new ATOM 0 HA PHE A 101 -2.032 12.410 -6.118 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.185 14.785 -5.893 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.585 14.688 -4.845 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -1.844 12.034 -3.952 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.760 14.121 -4.846 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -0.609 10.547 -2.437 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.998 12.633 -3.333 1.00 0.00 H new ATOM 0 HZ PHE A 101 1.816 10.843 -2.126 1.00 0.00 H new ATOM 1581 N GLN A 102 -2.571 15.120 -7.901 1.00 0.00 N ATOM 1582 CA GLN A 102 -3.615 15.991 -8.429 1.00 0.00 C ATOM 1583 C GLN A 102 -4.907 15.214 -8.661 1.00 0.00 C ATOM 1584 O GLN A 102 -6.001 15.774 -8.591 1.00 0.00 O ATOM 1585 CB GLN A 102 -3.155 16.640 -9.735 1.00 0.00 C ATOM 1586 CG GLN A 102 -4.196 17.555 -10.359 1.00 0.00 C ATOM 1587 CD GLN A 102 -4.469 18.787 -9.519 1.00 0.00 C ATOM 1588 OE1 GLN A 102 -3.585 19.285 -8.821 1.00 0.00 O ATOM 1589 NE2 GLN A 102 -5.698 19.286 -9.582 1.00 0.00 N ATOM 0 H GLN A 102 -1.643 15.291 -8.289 1.00 0.00 H new ATOM 0 HA GLN A 102 -3.809 16.771 -7.693 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -2.247 17.212 -9.546 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.897 15.858 -10.449 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.858 17.862 -11.349 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -5.125 17.001 -10.497 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -6.399 18.841 -10.174 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -5.941 20.114 -9.039 1.00 0.00 H new ATOM 1598 N PHE A 103 -4.772 13.921 -8.937 1.00 0.00 N ATOM 1599 CA PHE A 103 -5.929 13.067 -9.181 1.00 0.00 C ATOM 1600 C PHE A 103 -6.656 12.751 -7.878 1.00 0.00 C ATOM 1601 O PHE A 103 -7.882 12.831 -7.803 1.00 0.00 O ATOM 1602 CB PHE A 103 -5.496 11.769 -9.865 1.00 0.00 C ATOM 1603 CG PHE A 103 -5.424 11.875 -11.361 1.00 0.00 C ATOM 1604 CD1 PHE A 103 -4.622 12.831 -11.964 1.00 0.00 C ATOM 1605 CD2 PHE A 103 -6.158 11.018 -12.166 1.00 0.00 C ATOM 1606 CE1 PHE A 103 -4.553 12.930 -13.341 1.00 0.00 C ATOM 1607 CE2 PHE A 103 -6.092 11.112 -13.543 1.00 0.00 C ATOM 1608 CZ PHE A 103 -5.290 12.071 -14.131 1.00 0.00 C ATOM 0 H PHE A 103 -3.874 13.442 -8.997 1.00 0.00 H new ATOM 0 HA PHE A 103 -6.614 13.604 -9.837 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.519 11.474 -9.482 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -6.195 10.976 -9.598 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.044 13.507 -11.351 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.789 10.268 -11.712 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -3.923 13.679 -13.798 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -6.667 10.436 -14.159 1.00 0.00 H new ATOM 0 HZ PHE A 103 -5.240 12.148 -15.207 1.00 0.00 H new ATOM 1618 N ALA A 104 -5.891 12.391 -6.852 1.00 0.00 N ATOM 1619 CA ALA A 104 -6.461 12.064 -5.551 1.00 0.00 C ATOM 1620 C ALA A 104 -6.509 13.292 -4.649 1.00 0.00 C ATOM 1621 O ALA A 104 -6.765 13.184 -3.449 1.00 0.00 O ATOM 1622 CB ALA A 104 -5.661 10.951 -4.890 1.00 0.00 C ATOM 0 H ALA A 104 -4.875 12.319 -6.897 1.00 0.00 H new ATOM 0 HA ALA A 104 -7.483 11.719 -5.705 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.097 10.717 -3.919 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -5.683 10.063 -5.522 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -4.629 11.275 -4.755 1.00 0.00 H new ATOM 1628 N HIS A 105 -6.261 14.460 -5.233 1.00 0.00 N ATOM 1629 CA HIS A 105 -6.276 15.710 -4.480 1.00 0.00 C ATOM 1630 C HIS A 105 -7.610 15.895 -3.762 1.00 0.00 C ATOM 1631 O HIS A 105 -7.654 16.368 -2.626 1.00 0.00 O ATOM 1632 CB HIS A 105 -6.017 16.894 -5.412 1.00 0.00 C ATOM 1633 CG HIS A 105 -5.614 18.145 -4.693 1.00 0.00 C ATOM 1634 ND1 HIS A 105 -5.891 18.369 -3.361 1.00 0.00 N ATOM 1635 CD2 HIS A 105 -4.950 19.241 -5.128 1.00 0.00 C ATOM 1636 CE1 HIS A 105 -5.416 19.550 -3.008 1.00 0.00 C ATOM 1637 NE2 HIS A 105 -4.840 20.100 -4.062 1.00 0.00 N ATOM 0 H HIS A 105 -6.047 14.567 -6.225 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.484 15.665 -3.733 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -5.234 16.624 -6.121 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -6.918 17.093 -5.993 1.00 0.00 H new ATOM 0 HD1 HIS A 105 -6.385 17.724 -2.745 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.576 19.409 -6.127 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -5.487 19.991 -2.025 1.00 0.00 H new ATOM 1645 N HIS A 106 -8.695 15.520 -4.432 1.00 0.00 N ATOM 1646 CA HIS A 106 -10.029 15.645 -3.858 1.00 0.00 C ATOM 1647 C HIS A 106 -10.269 14.570 -2.801 1.00 0.00 C ATOM 1648 O HIS A 106 -10.953 14.807 -1.804 1.00 0.00 O ATOM 1649 CB HIS A 106 -11.091 15.545 -4.953 1.00 0.00 C ATOM 1650 CG HIS A 106 -11.182 14.186 -5.577 1.00 0.00 C ATOM 1651 ND1 HIS A 106 -10.197 13.661 -6.386 1.00 0.00 N ATOM 1652 CD2 HIS A 106 -12.149 13.242 -5.504 1.00 0.00 C ATOM 1653 CE1 HIS A 106 -10.554 12.454 -6.785 1.00 0.00 C ATOM 1654 NE2 HIS A 106 -11.735 12.175 -6.264 1.00 0.00 N ATOM 0 H HIS A 106 -8.676 15.127 -5.373 1.00 0.00 H new ATOM 0 HA HIS A 106 -10.101 16.622 -3.381 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -12.061 15.808 -4.532 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -10.871 16.278 -5.729 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -13.074 13.314 -4.951 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -9.978 11.805 -7.428 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -12.255 11.309 -6.403 1.00 0.00 H new ATOM 1662 N LEU A 107 -9.703 13.390 -3.026 1.00 0.00 N ATOM 1663 CA LEU A 107 -9.856 12.278 -2.094 1.00 0.00 C ATOM 1664 C LEU A 107 -9.213 12.602 -0.750 1.00 0.00 C ATOM 1665 O LEU A 107 -8.126 13.179 -0.692 1.00 0.00 O ATOM 1666 CB LEU A 107 -9.233 11.008 -2.678 1.00 0.00 C ATOM 1667 CG LEU A 107 -9.761 10.568 -4.043 1.00 0.00 C ATOM 1668 CD1 LEU A 107 -9.112 9.260 -4.470 1.00 0.00 C ATOM 1669 CD2 LEU A 107 -11.276 10.427 -4.009 1.00 0.00 C ATOM 0 H LEU A 107 -9.134 13.178 -3.846 1.00 0.00 H new ATOM 0 HA LEU A 107 -10.922 12.113 -1.935 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -8.157 11.159 -2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -9.388 10.193 -1.971 1.00 0.00 H new ATOM 0 HG LEU A 107 -9.504 11.334 -4.775 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -9.500 8.962 -5.444 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -8.032 9.394 -4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -9.338 8.485 -3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -11.634 10.113 -4.989 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -11.555 9.681 -3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -11.725 11.386 -3.749 1.00 0.00 H new ATOM 1681 N LEU A 108 -9.890 12.227 0.330 1.00 0.00 N ATOM 1682 CA LEU A 108 -9.384 12.475 1.675 1.00 0.00 C ATOM 1683 C LEU A 108 -9.579 11.252 2.565 1.00 0.00 C ATOM 1684 O LEU A 108 -10.128 10.240 2.133 1.00 0.00 O ATOM 1685 CB LEU A 108 -10.088 13.686 2.291 1.00 0.00 C ATOM 1686 CG LEU A 108 -10.118 14.952 1.434 1.00 0.00 C ATOM 1687 CD1 LEU A 108 -11.098 15.962 2.008 1.00 0.00 C ATOM 1688 CD2 LEU A 108 -8.726 15.558 1.328 1.00 0.00 C ATOM 0 H LEU A 108 -10.791 11.750 0.300 1.00 0.00 H new ATOM 0 HA LEU A 108 -8.316 12.681 1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -11.115 13.405 2.524 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.600 13.923 3.237 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.452 14.681 0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -11.106 16.856 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.097 15.527 2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -10.795 16.228 3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.767 16.458 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.364 15.814 2.324 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.049 14.837 0.870 1.00 0.00 H new ATOM 1700 N ASN A 109 -9.128 11.355 3.811 1.00 0.00 N ATOM 1701 CA ASN A 109 -9.255 10.258 4.763 1.00 0.00 C ATOM 1702 C ASN A 109 -9.999 10.708 6.016 1.00 0.00 C ATOM 1703 O ASN A 109 -9.448 11.379 6.889 1.00 0.00 O ATOM 1704 CB ASN A 109 -7.873 9.722 5.142 1.00 0.00 C ATOM 1705 CG ASN A 109 -7.952 8.491 6.025 1.00 0.00 C ATOM 1706 OD1 ASN A 109 -7.347 8.442 7.096 1.00 0.00 O ATOM 1707 ND2 ASN A 109 -8.701 7.490 5.578 1.00 0.00 N ATOM 0 H ASN A 109 -8.671 12.187 4.185 1.00 0.00 H new ATOM 0 HA ASN A 109 -9.829 9.462 4.288 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -7.319 9.480 4.235 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -7.313 10.501 5.659 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -8.793 6.636 6.129 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -9.185 7.575 4.684 1.00 0.00 H new ATOM 1714 N PRO A 110 -11.283 10.331 6.109 1.00 0.00 N ATOM 1715 CA PRO A 110 -12.131 10.684 7.252 1.00 0.00 C ATOM 1716 C PRO A 110 -11.722 9.952 8.526 1.00 0.00 C ATOM 1717 O PRO A 110 -12.303 10.166 9.589 1.00 0.00 O ATOM 1718 CB PRO A 110 -13.528 10.243 6.807 1.00 0.00 C ATOM 1719 CG PRO A 110 -13.284 9.165 5.809 1.00 0.00 C ATOM 1720 CD PRO A 110 -12.006 9.531 5.107 1.00 0.00 C ATOM 0 HA PRO A 110 -12.062 11.743 7.499 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -14.115 9.877 7.650 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -14.083 11.071 6.367 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -13.197 8.194 6.297 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -14.111 9.093 5.102 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.440 8.646 4.815 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -12.196 10.102 4.198 1.00 0.00 H new ATOM 1728 N TRP A 111 -10.719 9.089 8.410 1.00 0.00 N ATOM 1729 CA TRP A 111 -10.232 8.325 9.553 1.00 0.00 C ATOM 1730 C TRP A 111 -9.129 9.083 10.284 1.00 0.00 C ATOM 1731 O TRP A 111 -8.829 8.796 11.441 1.00 0.00 O ATOM 1732 CB TRP A 111 -9.715 6.960 9.097 1.00 0.00 C ATOM 1733 CG TRP A 111 -10.802 5.945 8.908 1.00 0.00 C ATOM 1734 CD1 TRP A 111 -12.138 6.192 8.772 1.00 0.00 C ATOM 1735 CD2 TRP A 111 -10.644 4.524 8.836 1.00 0.00 C ATOM 1736 NE1 TRP A 111 -12.821 5.009 8.620 1.00 0.00 N ATOM 1737 CE2 TRP A 111 -11.927 3.971 8.654 1.00 0.00 C ATOM 1738 CE3 TRP A 111 -9.544 3.665 8.904 1.00 0.00 C ATOM 1739 CZ2 TRP A 111 -12.138 2.600 8.543 1.00 0.00 C ATOM 1740 CZ3 TRP A 111 -9.755 2.303 8.793 1.00 0.00 C ATOM 1741 CH2 TRP A 111 -11.043 1.782 8.613 1.00 0.00 C ATOM 0 H TRP A 111 -10.227 8.901 7.536 1.00 0.00 H new ATOM 0 HA TRP A 111 -11.064 8.178 10.242 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -9.173 7.080 8.159 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -9.002 6.586 9.832 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -12.591 7.172 8.782 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -13.830 4.918 8.501 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -8.547 4.058 9.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -13.130 2.196 8.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -8.913 1.629 8.846 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -11.174 0.713 8.528 1.00 0.00 H new ATOM 1752 N ASN A 112 -8.529 10.051 9.600 1.00 0.00 N ATOM 1753 CA ASN A 112 -7.459 10.850 10.185 1.00 0.00 C ATOM 1754 C ASN A 112 -7.690 12.337 9.934 1.00 0.00 C ATOM 1755 O ASN A 112 -7.029 12.945 9.091 1.00 0.00 O ATOM 1756 CB ASN A 112 -6.106 10.428 9.608 1.00 0.00 C ATOM 1757 CG ASN A 112 -4.950 11.185 10.233 1.00 0.00 C ATOM 1758 OD1 ASN A 112 -4.774 11.177 11.451 1.00 0.00 O ATOM 1759 ND2 ASN A 112 -4.155 11.846 9.398 1.00 0.00 N ATOM 0 H ASN A 112 -8.766 10.301 8.640 1.00 0.00 H new ATOM 0 HA ASN A 112 -7.458 10.678 11.261 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -5.964 9.359 9.766 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -6.106 10.594 8.531 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -3.361 12.374 9.760 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -4.339 11.825 8.395 1.00 0.00 H new ATOM 1766 N ASP A 113 -8.631 12.917 10.670 1.00 0.00 N ATOM 1767 CA ASP A 113 -8.949 14.333 10.529 1.00 0.00 C ATOM 1768 C ASP A 113 -9.203 14.690 9.068 1.00 0.00 C ATOM 1769 O ASP A 113 -8.653 15.661 8.551 1.00 0.00 O ATOM 1770 CB ASP A 113 -7.811 15.191 11.086 1.00 0.00 C ATOM 1771 CG ASP A 113 -7.932 15.413 12.581 1.00 0.00 C ATOM 1772 OD1 ASP A 113 -9.067 15.614 13.061 1.00 0.00 O ATOM 1773 OD2 ASP A 113 -6.891 15.385 13.270 1.00 0.00 O ATOM 0 H ASP A 113 -9.188 12.428 11.371 1.00 0.00 H new ATOM 0 HA ASP A 113 -9.857 14.534 11.097 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -6.857 14.710 10.869 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -7.804 16.155 10.578 1.00 0.00 H new ATOM 1778 N ASN A 114 -10.040 13.896 8.407 1.00 0.00 N ATOM 1779 CA ASN A 114 -10.366 14.127 7.005 1.00 0.00 C ATOM 1780 C ASN A 114 -9.152 14.652 6.243 1.00 0.00 C ATOM 1781 O ASN A 114 -9.277 15.507 5.367 1.00 0.00 O ATOM 1782 CB ASN A 114 -11.525 15.120 6.886 1.00 0.00 C ATOM 1783 CG ASN A 114 -11.053 16.561 6.881 1.00 0.00 C ATOM 1784 OD1 ASN A 114 -10.715 17.077 8.057 1.00 0.00 O flip ATOM 1785 ND2 ASN A 114 -10.993 17.202 5.831 1.00 0.00 N flip ATOM 0 H ASN A 114 -10.504 13.087 8.820 1.00 0.00 H new ATOM 0 HA ASN A 114 -10.665 13.175 6.566 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -12.080 14.919 5.969 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -12.216 14.970 7.716 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -11.263 16.764 4.950 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -10.673 18.171 5.842 1.00 0.00 H new ATOM 1792 N LYS A 115 -7.978 14.132 6.584 1.00 0.00 N ATOM 1793 CA LYS A 115 -6.740 14.545 5.932 1.00 0.00 C ATOM 1794 C LYS A 115 -6.597 13.881 4.566 1.00 0.00 C ATOM 1795 O LYS A 115 -6.923 12.706 4.399 1.00 0.00 O ATOM 1796 CB LYS A 115 -5.537 14.196 6.810 1.00 0.00 C ATOM 1797 CG LYS A 115 -5.210 15.259 7.845 1.00 0.00 C ATOM 1798 CD LYS A 115 -4.667 16.521 7.196 1.00 0.00 C ATOM 1799 CE LYS A 115 -4.368 17.595 8.231 1.00 0.00 C ATOM 1800 NZ LYS A 115 -4.260 18.946 7.613 1.00 0.00 N ATOM 0 H LYS A 115 -7.857 13.424 7.308 1.00 0.00 H new ATOM 0 HA LYS A 115 -6.776 15.625 5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -5.731 13.252 7.320 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -4.666 14.041 6.173 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.106 15.500 8.417 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -4.477 14.868 8.551 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -3.758 16.285 6.642 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -5.390 16.901 6.474 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -5.155 17.602 8.985 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -3.437 17.355 8.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -4.056 19.650 8.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -3.492 18.947 6.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -5.157 19.186 7.144 1.00 0.00 H new ATOM 1814 N LYS A 116 -6.105 14.640 3.593 1.00 0.00 N ATOM 1815 CA LYS A 116 -5.915 14.125 2.242 1.00 0.00 C ATOM 1816 C LYS A 116 -5.282 12.738 2.273 1.00 0.00 C ATOM 1817 O LYS A 116 -4.330 12.495 3.015 1.00 0.00 O ATOM 1818 CB LYS A 116 -5.038 15.080 1.429 1.00 0.00 C ATOM 1819 CG LYS A 116 -4.792 14.615 0.004 1.00 0.00 C ATOM 1820 CD LYS A 116 -3.768 15.491 -0.699 1.00 0.00 C ATOM 1821 CE LYS A 116 -4.309 16.891 -0.947 1.00 0.00 C ATOM 1822 NZ LYS A 116 -3.226 17.851 -1.296 1.00 0.00 N ATOM 0 H LYS A 116 -5.830 15.615 3.715 1.00 0.00 H new ATOM 0 HA LYS A 116 -6.894 14.048 1.768 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -5.510 16.062 1.405 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -4.079 15.199 1.934 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -4.444 13.582 0.012 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -5.729 14.631 -0.552 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -2.863 15.551 -0.095 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -3.488 15.035 -1.648 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -5.040 16.860 -1.754 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -4.832 17.241 -0.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -3.573 18.824 -1.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -2.409 17.695 -0.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -2.938 17.705 -2.285 1.00 0.00 H new ATOM 1836 N VAL A 117 -5.816 11.831 1.461 1.00 0.00 N ATOM 1837 CA VAL A 117 -5.302 10.468 1.394 1.00 0.00 C ATOM 1838 C VAL A 117 -3.781 10.449 1.503 1.00 0.00 C ATOM 1839 O VAL A 117 -3.225 9.919 2.464 1.00 0.00 O ATOM 1840 CB VAL A 117 -5.721 9.774 0.084 1.00 0.00 C ATOM 1841 CG1 VAL A 117 -5.518 8.270 0.188 1.00 0.00 C ATOM 1842 CG2 VAL A 117 -7.167 10.103 -0.254 1.00 0.00 C ATOM 0 H VAL A 117 -6.604 12.015 0.840 1.00 0.00 H new ATOM 0 HA VAL A 117 -5.731 9.926 2.237 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.090 10.147 -0.723 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.819 7.797 -0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -4.466 8.057 0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -6.123 7.877 1.005 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -7.446 9.605 -1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -7.816 9.760 0.552 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -7.276 11.181 -0.374 1.00 0.00 H new ATOM 1852 N GLN A 118 -3.115 11.030 0.510 1.00 0.00 N ATOM 1853 CA GLN A 118 -1.658 11.080 0.495 1.00 0.00 C ATOM 1854 C GLN A 118 -1.103 11.219 1.909 1.00 0.00 C ATOM 1855 O GLN A 118 -0.099 10.596 2.255 1.00 0.00 O ATOM 1856 CB GLN A 118 -1.175 12.244 -0.372 1.00 0.00 C ATOM 1857 CG GLN A 118 -1.145 13.576 0.360 1.00 0.00 C ATOM 1858 CD GLN A 118 -0.614 14.704 -0.502 1.00 0.00 C ATOM 1859 OE1 GLN A 118 -1.154 14.992 -1.570 1.00 0.00 O ATOM 1860 NE2 GLN A 118 0.451 15.350 -0.042 1.00 0.00 N ATOM 0 H GLN A 118 -3.561 11.472 -0.294 1.00 0.00 H new ATOM 0 HA GLN A 118 -1.292 10.145 0.071 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -0.175 12.020 -0.742 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -1.825 12.332 -1.243 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -2.152 13.824 0.696 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -0.525 13.482 1.252 1.00 0.00 H new ATOM 0 HE21 GLN A 118 0.867 15.078 0.849 1.00 0.00 H new ATOM 0 HE22 GLN A 118 0.853 16.118 -0.579 1.00 0.00 H new ATOM 1869 N ILE A 119 -1.762 12.039 2.720 1.00 0.00 N ATOM 1870 CA ILE A 119 -1.335 12.258 4.096 1.00 0.00 C ATOM 1871 C ILE A 119 -1.498 10.992 4.931 1.00 0.00 C ATOM 1872 O ILE A 119 -2.385 10.906 5.779 1.00 0.00 O ATOM 1873 CB ILE A 119 -2.128 13.401 4.757 1.00 0.00 C ATOM 1874 CG1 ILE A 119 -2.130 14.637 3.855 1.00 0.00 C ATOM 1875 CG2 ILE A 119 -1.541 13.734 6.120 1.00 0.00 C ATOM 1876 CD1 ILE A 119 -2.994 15.764 4.377 1.00 0.00 C ATOM 0 H ILE A 119 -2.594 12.563 2.448 1.00 0.00 H new ATOM 0 HA ILE A 119 -0.281 12.532 4.059 1.00 0.00 H new ATOM 0 HB ILE A 119 -3.159 13.075 4.897 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -1.107 14.996 3.742 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -2.479 14.352 2.862 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -2.112 14.544 6.574 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -1.587 12.853 6.761 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -0.503 14.044 6.003 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -2.948 16.607 3.688 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -4.025 15.422 4.463 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -2.632 16.076 5.357 1.00 0.00 H new ATOM 1888 N SER A 120 -0.633 10.013 4.685 1.00 0.00 N ATOM 1889 CA SER A 120 -0.682 8.750 5.413 1.00 0.00 C ATOM 1890 C SER A 120 0.721 8.191 5.626 1.00 0.00 C ATOM 1891 O SER A 120 1.427 7.873 4.668 1.00 0.00 O ATOM 1892 CB SER A 120 -1.539 7.733 4.655 1.00 0.00 C ATOM 1893 OG SER A 120 -2.920 7.984 4.851 1.00 0.00 O ATOM 0 H SER A 120 0.109 10.070 3.988 1.00 0.00 H new ATOM 0 HA SER A 120 -1.131 8.938 6.388 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.305 7.777 3.591 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.298 6.725 4.993 1.00 0.00 H new ATOM 0 HG SER A 120 -3.243 8.596 4.157 1.00 0.00 H new ATOM 1899 N ARG A 121 1.119 8.075 6.889 1.00 0.00 N ATOM 1900 CA ARG A 121 2.439 7.556 7.229 1.00 0.00 C ATOM 1901 C ARG A 121 2.509 6.051 6.989 1.00 0.00 C ATOM 1902 O ARG A 121 1.514 5.341 7.134 1.00 0.00 O ATOM 1903 CB ARG A 121 2.771 7.866 8.690 1.00 0.00 C ATOM 1904 CG ARG A 121 2.793 9.352 9.007 1.00 0.00 C ATOM 1905 CD ARG A 121 4.135 9.977 8.660 1.00 0.00 C ATOM 1906 NE ARG A 121 4.039 11.424 8.493 1.00 0.00 N ATOM 1907 CZ ARG A 121 4.012 12.281 9.507 1.00 0.00 C ATOM 1908 NH1 ARG A 121 4.075 11.838 10.755 1.00 0.00 N ATOM 1909 NH2 ARG A 121 3.923 13.585 9.275 1.00 0.00 N ATOM 0 H ARG A 121 0.547 8.333 7.693 1.00 0.00 H new ATOM 0 HA ARG A 121 3.171 8.044 6.585 1.00 0.00 H new ATOM 0 HB2 ARG A 121 2.038 7.377 9.332 1.00 0.00 H new ATOM 0 HB3 ARG A 121 3.743 7.437 8.932 1.00 0.00 H new ATOM 0 HG2 ARG A 121 2.002 9.855 8.451 1.00 0.00 H new ATOM 0 HG3 ARG A 121 2.584 9.502 10.066 1.00 0.00 H new ATOM 0 HD2 ARG A 121 4.855 9.750 9.447 1.00 0.00 H new ATOM 0 HD3 ARG A 121 4.516 9.531 7.741 1.00 0.00 H new ATOM 0 HE ARG A 121 3.990 11.797 7.545 1.00 0.00 H new ATOM 0 HH11 ARG A 121 4.144 10.837 10.938 1.00 0.00 H new ATOM 0 HH12 ARG A 121 4.054 12.498 11.532 1.00 0.00 H new ATOM 0 HH21 ARG A 121 3.875 13.930 8.316 1.00 0.00 H new ATOM 0 HH22 ARG A 121 3.902 14.242 10.055 1.00 0.00 H new ATOM 1923 N ASP A 122 3.692 5.571 6.620 1.00 0.00 N ATOM 1924 CA ASP A 122 3.893 4.150 6.360 1.00 0.00 C ATOM 1925 C ASP A 122 3.160 3.300 7.392 1.00 0.00 C ATOM 1926 O ASP A 122 3.465 3.350 8.583 1.00 0.00 O ATOM 1927 CB ASP A 122 5.385 3.814 6.371 1.00 0.00 C ATOM 1928 CG ASP A 122 5.936 3.670 7.776 1.00 0.00 C ATOM 1929 OD1 ASP A 122 5.574 4.495 8.642 1.00 0.00 O ATOM 1930 OD2 ASP A 122 6.728 2.734 8.011 1.00 0.00 O ATOM 0 H ASP A 122 4.526 6.145 6.494 1.00 0.00 H new ATOM 0 HA ASP A 122 3.485 3.925 5.375 1.00 0.00 H new ATOM 0 HB2 ASP A 122 5.550 2.886 5.823 1.00 0.00 H new ATOM 0 HB3 ASP A 122 5.934 4.596 5.847 1.00 0.00 H new ATOM 1935 N GLY A 123 2.189 2.519 6.926 1.00 0.00 N ATOM 1936 CA GLY A 123 1.426 1.669 7.822 1.00 0.00 C ATOM 1937 C GLY A 123 0.247 2.392 8.443 1.00 0.00 C ATOM 1938 O GLY A 123 -0.077 2.175 9.610 1.00 0.00 O ATOM 0 H GLY A 123 1.918 2.460 5.945 1.00 0.00 H new ATOM 0 HA2 GLY A 123 1.066 0.798 7.274 1.00 0.00 H new ATOM 0 HA3 GLY A 123 2.080 1.300 8.613 1.00 0.00 H new ATOM 1942 N GLN A 124 -0.395 3.253 7.660 1.00 0.00 N ATOM 1943 CA GLN A 124 -1.544 4.012 8.141 1.00 0.00 C ATOM 1944 C GLN A 124 -2.846 3.422 7.611 1.00 0.00 C ATOM 1945 O GLN A 124 -2.944 3.064 6.438 1.00 0.00 O ATOM 1946 CB GLN A 124 -1.426 5.478 7.721 1.00 0.00 C ATOM 1947 CG GLN A 124 -2.627 6.322 8.114 1.00 0.00 C ATOM 1948 CD GLN A 124 -2.517 6.875 9.521 1.00 0.00 C ATOM 1949 OE1 GLN A 124 -1.418 7.033 10.054 1.00 0.00 O ATOM 1950 NE2 GLN A 124 -3.658 7.174 10.131 1.00 0.00 N ATOM 0 H GLN A 124 -0.140 3.442 6.691 1.00 0.00 H new ATOM 0 HA GLN A 124 -1.556 3.954 9.229 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -0.530 5.905 8.171 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -1.295 5.528 6.640 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -2.732 7.148 7.410 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -3.532 5.719 8.034 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -4.546 7.027 9.652 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -3.646 7.551 11.079 1.00 0.00 H new ATOM 1959 N GLU A 125 -3.844 3.324 8.484 1.00 0.00 N ATOM 1960 CA GLU A 125 -5.141 2.776 8.103 1.00 0.00 C ATOM 1961 C GLU A 125 -5.847 3.692 7.107 1.00 0.00 C ATOM 1962 O GLU A 125 -5.831 4.915 7.252 1.00 0.00 O ATOM 1963 CB GLU A 125 -6.018 2.576 9.340 1.00 0.00 C ATOM 1964 CG GLU A 125 -5.866 1.205 9.979 1.00 0.00 C ATOM 1965 CD GLU A 125 -6.105 1.230 11.476 1.00 0.00 C ATOM 1966 OE1 GLU A 125 -7.164 1.740 11.899 1.00 0.00 O ATOM 1967 OE2 GLU A 125 -5.234 0.740 12.224 1.00 0.00 O ATOM 0 H GLU A 125 -3.779 3.617 9.459 1.00 0.00 H new ATOM 0 HA GLU A 125 -4.973 1.810 7.626 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -5.772 3.340 10.077 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -7.062 2.725 9.063 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -6.567 0.512 9.514 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -4.864 0.825 9.781 1.00 0.00 H new ATOM 1974 N LEU A 126 -6.466 3.091 6.097 1.00 0.00 N ATOM 1975 CA LEU A 126 -7.178 3.852 5.076 1.00 0.00 C ATOM 1976 C LEU A 126 -8.600 3.327 4.899 1.00 0.00 C ATOM 1977 O LEU A 126 -8.806 2.143 4.638 1.00 0.00 O ATOM 1978 CB LEU A 126 -6.428 3.783 3.745 1.00 0.00 C ATOM 1979 CG LEU A 126 -6.928 4.719 2.644 1.00 0.00 C ATOM 1980 CD1 LEU A 126 -6.605 6.166 2.986 1.00 0.00 C ATOM 1981 CD2 LEU A 126 -6.318 4.339 1.302 1.00 0.00 C ATOM 0 H LEU A 126 -6.489 2.080 5.963 1.00 0.00 H new ATOM 0 HA LEU A 126 -7.231 4.891 5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.377 4.003 3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.479 2.759 3.375 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.011 4.616 2.571 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -6.968 6.818 2.191 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -7.089 6.435 3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -5.526 6.284 3.087 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -6.685 5.016 0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.232 4.412 1.362 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.599 3.316 1.051 1.00 0.00 H new ATOM 1993 N GLU A 127 -9.576 4.219 5.042 1.00 0.00 N ATOM 1994 CA GLU A 127 -10.978 3.845 4.896 1.00 0.00 C ATOM 1995 C GLU A 127 -11.221 3.153 3.558 1.00 0.00 C ATOM 1996 O GLU A 127 -10.683 3.545 2.522 1.00 0.00 O ATOM 1997 CB GLU A 127 -11.873 5.080 5.014 1.00 0.00 C ATOM 1998 CG GLU A 127 -13.314 4.756 5.372 1.00 0.00 C ATOM 1999 CD GLU A 127 -14.147 5.999 5.619 1.00 0.00 C ATOM 2000 OE1 GLU A 127 -14.103 6.920 4.778 1.00 0.00 O ATOM 2001 OE2 GLU A 127 -14.844 6.048 6.654 1.00 0.00 O ATOM 0 H GLU A 127 -9.422 5.204 5.258 1.00 0.00 H new ATOM 0 HA GLU A 127 -11.226 3.147 5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -11.460 5.746 5.772 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -11.856 5.623 4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -13.763 4.176 4.566 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -13.331 4.129 6.263 1.00 0.00 H new ATOM 2008 N PRO A 128 -12.049 2.099 3.579 1.00 0.00 N ATOM 2009 CA PRO A 128 -12.383 1.330 2.376 1.00 0.00 C ATOM 2010 C PRO A 128 -13.254 2.120 1.406 1.00 0.00 C ATOM 2011 O PRO A 128 -13.575 1.644 0.317 1.00 0.00 O ATOM 2012 CB PRO A 128 -13.151 0.126 2.927 1.00 0.00 C ATOM 2013 CG PRO A 128 -13.722 0.600 4.219 1.00 0.00 C ATOM 2014 CD PRO A 128 -12.725 1.577 4.778 1.00 0.00 C ATOM 0 HA PRO A 128 -11.495 1.061 1.804 1.00 0.00 H new ATOM 0 HB2 PRO A 128 -13.936 -0.191 2.240 1.00 0.00 H new ATOM 0 HB3 PRO A 128 -12.492 -0.730 3.075 1.00 0.00 H new ATOM 0 HG2 PRO A 128 -14.691 1.075 4.067 1.00 0.00 H new ATOM 0 HG3 PRO A 128 -13.880 -0.232 4.905 1.00 0.00 H new ATOM 0 HD2 PRO A 128 -13.214 2.372 5.342 1.00 0.00 H new ATOM 0 HD3 PRO A 128 -12.023 1.091 5.456 1.00 0.00 H new ATOM 2022 N GLN A 129 -13.634 3.329 1.808 1.00 0.00 N ATOM 2023 CA GLN A 129 -14.469 4.184 0.973 1.00 0.00 C ATOM 2024 C GLN A 129 -13.614 5.048 0.052 1.00 0.00 C ATOM 2025 O GLN A 129 -13.944 5.241 -1.118 1.00 0.00 O ATOM 2026 CB GLN A 129 -15.357 5.073 1.845 1.00 0.00 C ATOM 2027 CG GLN A 129 -16.664 5.469 1.177 1.00 0.00 C ATOM 2028 CD GLN A 129 -17.196 6.798 1.677 1.00 0.00 C ATOM 2029 OE1 GLN A 129 -17.445 7.714 0.892 1.00 0.00 O ATOM 2030 NE2 GLN A 129 -17.372 6.911 2.988 1.00 0.00 N ATOM 0 H GLN A 129 -13.377 3.738 2.706 1.00 0.00 H new ATOM 0 HA GLN A 129 -15.100 3.543 0.358 1.00 0.00 H new ATOM 0 HB2 GLN A 129 -15.578 4.550 2.776 1.00 0.00 H new ATOM 0 HB3 GLN A 129 -14.806 5.975 2.109 1.00 0.00 H new ATOM 0 HG2 GLN A 129 -16.514 5.524 0.099 1.00 0.00 H new ATOM 0 HG3 GLN A 129 -17.409 4.693 1.356 1.00 0.00 H new ATOM 0 HE21 GLN A 129 -17.153 6.126 3.602 1.00 0.00 H new ATOM 0 HE22 GLN A 129 -17.727 7.783 3.382 1.00 0.00 H new ATOM 2039 N VAL A 130 -12.513 5.565 0.587 1.00 0.00 N ATOM 2040 CA VAL A 130 -11.609 6.408 -0.187 1.00 0.00 C ATOM 2041 C VAL A 130 -10.486 5.585 -0.807 1.00 0.00 C ATOM 2042 O VAL A 130 -9.899 5.975 -1.815 1.00 0.00 O ATOM 2043 CB VAL A 130 -10.995 7.521 0.683 1.00 0.00 C ATOM 2044 CG1 VAL A 130 -12.088 8.331 1.364 1.00 0.00 C ATOM 2045 CG2 VAL A 130 -10.041 6.928 1.710 1.00 0.00 C ATOM 0 H VAL A 130 -12.225 5.415 1.554 1.00 0.00 H new ATOM 0 HA VAL A 130 -12.203 6.863 -0.980 1.00 0.00 H new ATOM 0 HB VAL A 130 -10.428 8.192 0.038 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -11.635 9.112 1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -12.728 8.786 0.608 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -12.685 7.676 1.998 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -9.616 7.728 2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -10.583 6.235 2.353 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -9.239 6.396 1.197 1.00 0.00 H new ATOM 2055 N GLY A 131 -10.191 4.441 -0.197 1.00 0.00 N ATOM 2056 CA GLY A 131 -9.139 3.579 -0.703 1.00 0.00 C ATOM 2057 C GLY A 131 -9.534 2.875 -1.986 1.00 0.00 C ATOM 2058 O GLY A 131 -8.674 2.460 -2.763 1.00 0.00 O ATOM 0 H GLY A 131 -10.662 4.096 0.639 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -8.241 4.171 -0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -8.887 2.835 0.053 1.00 0.00 H new ATOM 2062 N GLU A 132 -10.837 2.737 -2.207 1.00 0.00 N ATOM 2063 CA GLU A 132 -11.343 2.075 -3.404 1.00 0.00 C ATOM 2064 C GLU A 132 -11.391 3.044 -4.582 1.00 0.00 C ATOM 2065 O GLU A 132 -10.986 2.706 -5.694 1.00 0.00 O ATOM 2066 CB GLU A 132 -12.737 1.500 -3.145 1.00 0.00 C ATOM 2067 CG GLU A 132 -13.825 2.557 -3.059 1.00 0.00 C ATOM 2068 CD GLU A 132 -15.205 1.958 -2.866 1.00 0.00 C ATOM 2069 OE1 GLU A 132 -15.815 1.535 -3.871 1.00 0.00 O ATOM 2070 OE2 GLU A 132 -15.675 1.913 -1.710 1.00 0.00 O ATOM 0 H GLU A 132 -11.562 3.075 -1.573 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.663 1.261 -3.653 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -12.985 0.799 -3.942 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -12.720 0.932 -2.215 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -13.607 3.232 -2.231 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -13.817 3.156 -3.969 1.00 0.00 H new ATOM 2077 N GLN A 133 -11.891 4.250 -4.329 1.00 0.00 N ATOM 2078 CA GLN A 133 -11.994 5.267 -5.369 1.00 0.00 C ATOM 2079 C GLN A 133 -10.620 5.833 -5.714 1.00 0.00 C ATOM 2080 O GLN A 133 -10.466 6.561 -6.695 1.00 0.00 O ATOM 2081 CB GLN A 133 -12.925 6.394 -4.919 1.00 0.00 C ATOM 2082 CG GLN A 133 -12.493 7.058 -3.621 1.00 0.00 C ATOM 2083 CD GLN A 133 -13.554 7.982 -3.057 1.00 0.00 C ATOM 2084 OE1 GLN A 133 -14.689 8.007 -3.534 1.00 0.00 O ATOM 2085 NE2 GLN A 133 -13.190 8.749 -2.036 1.00 0.00 N ATOM 0 H GLN A 133 -12.231 4.546 -3.414 1.00 0.00 H new ATOM 0 HA GLN A 133 -12.408 4.798 -6.262 1.00 0.00 H new ATOM 0 HB2 GLN A 133 -12.975 7.148 -5.704 1.00 0.00 H new ATOM 0 HB3 GLN A 133 -13.932 5.995 -4.796 1.00 0.00 H new ATOM 0 HG2 GLN A 133 -12.258 6.289 -2.885 1.00 0.00 H new ATOM 0 HG3 GLN A 133 -11.578 7.625 -3.794 1.00 0.00 H new ATOM 0 HE21 GLN A 133 -12.239 8.696 -1.672 1.00 0.00 H new ATOM 0 HE22 GLN A 133 -13.862 9.391 -1.616 1.00 0.00 H new ATOM 2094 N LEU A 134 -9.625 5.496 -4.901 1.00 0.00 N ATOM 2095 CA LEU A 134 -8.264 5.971 -5.120 1.00 0.00 C ATOM 2096 C LEU A 134 -7.546 5.110 -6.154 1.00 0.00 C ATOM 2097 O LEU A 134 -6.691 5.595 -6.897 1.00 0.00 O ATOM 2098 CB LEU A 134 -7.483 5.965 -3.805 1.00 0.00 C ATOM 2099 CG LEU A 134 -5.961 6.051 -3.927 1.00 0.00 C ATOM 2100 CD1 LEU A 134 -5.538 7.447 -4.357 1.00 0.00 C ATOM 2101 CD2 LEU A 134 -5.298 5.672 -2.611 1.00 0.00 C ATOM 0 H LEU A 134 -9.736 4.895 -4.084 1.00 0.00 H new ATOM 0 HA LEU A 134 -8.319 6.992 -5.499 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -7.827 6.803 -3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -7.733 5.054 -3.262 1.00 0.00 H new ATOM 0 HG LEU A 134 -5.636 5.344 -4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -4.452 7.489 -4.438 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -5.984 7.681 -5.324 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -5.875 8.173 -3.617 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -4.215 5.739 -2.717 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -5.629 6.353 -1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -5.574 4.652 -2.345 1.00 0.00 H new ATOM 2113 N LEU A 135 -7.900 3.830 -6.199 1.00 0.00 N ATOM 2114 CA LEU A 135 -7.292 2.901 -7.145 1.00 0.00 C ATOM 2115 C LEU A 135 -7.892 3.069 -8.537 1.00 0.00 C ATOM 2116 O LEU A 135 -7.169 3.173 -9.526 1.00 0.00 O ATOM 2117 CB LEU A 135 -7.479 1.460 -6.666 1.00 0.00 C ATOM 2118 CG LEU A 135 -6.916 1.133 -5.283 1.00 0.00 C ATOM 2119 CD1 LEU A 135 -7.067 -0.350 -4.981 1.00 0.00 C ATOM 2120 CD2 LEU A 135 -5.457 1.553 -5.188 1.00 0.00 C ATOM 0 H LEU A 135 -8.605 3.412 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 135 -6.226 3.124 -7.201 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -8.545 1.235 -6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -7.013 0.794 -7.392 1.00 0.00 H new ATOM 0 HG LEU A 135 -7.483 1.693 -4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -6.661 -0.563 -3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -8.123 -0.621 -5.005 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -6.526 -0.930 -5.729 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -5.073 1.313 -4.197 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -4.876 1.021 -5.941 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -5.376 2.627 -5.358 1.00 0.00 H new ATOM 2132 N GLN A 136 -9.220 3.096 -8.603 1.00 0.00 N ATOM 2133 CA GLN A 136 -9.917 3.253 -9.874 1.00 0.00 C ATOM 2134 C GLN A 136 -9.297 4.374 -10.701 1.00 0.00 C ATOM 2135 O GLN A 136 -9.459 4.424 -11.920 1.00 0.00 O ATOM 2136 CB GLN A 136 -11.400 3.541 -9.634 1.00 0.00 C ATOM 2137 CG GLN A 136 -11.649 4.725 -8.714 1.00 0.00 C ATOM 2138 CD GLN A 136 -11.663 6.047 -9.456 1.00 0.00 C ATOM 2139 OE1 GLN A 136 -11.259 6.125 -10.617 1.00 0.00 O ATOM 2140 NE2 GLN A 136 -12.128 7.096 -8.788 1.00 0.00 N ATOM 0 H GLN A 136 -9.833 3.011 -7.792 1.00 0.00 H new ATOM 0 HA GLN A 136 -9.820 2.320 -10.430 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -11.885 3.728 -10.592 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -11.869 2.655 -9.207 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -12.602 4.589 -8.203 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -10.876 4.752 -7.946 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -12.453 6.986 -7.827 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -12.161 8.012 -9.236 1.00 0.00 H new ATOM 2149 N LEU A 137 -8.585 5.273 -10.029 1.00 0.00 N ATOM 2150 CA LEU A 137 -7.940 6.395 -10.701 1.00 0.00 C ATOM 2151 C LEU A 137 -6.974 5.905 -11.776 1.00 0.00 C ATOM 2152 O LEU A 137 -6.946 6.433 -12.887 1.00 0.00 O ATOM 2153 CB LEU A 137 -7.193 7.263 -9.686 1.00 0.00 C ATOM 2154 CG LEU A 137 -8.060 8.169 -8.811 1.00 0.00 C ATOM 2155 CD1 LEU A 137 -7.210 8.874 -7.766 1.00 0.00 C ATOM 2156 CD2 LEU A 137 -8.806 9.182 -9.667 1.00 0.00 C ATOM 0 H LEU A 137 -8.440 5.246 -9.020 1.00 0.00 H new ATOM 0 HA LEU A 137 -8.715 6.993 -11.180 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -6.614 6.608 -9.035 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -6.481 7.887 -10.226 1.00 0.00 H new ATOM 0 HG LEU A 137 -8.793 7.550 -8.295 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -7.844 9.514 -7.153 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -6.723 8.133 -7.133 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -6.453 9.481 -8.262 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -9.418 9.818 -9.028 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -8.089 9.797 -10.211 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -9.446 8.658 -10.376 1.00 0.00 H new ATOM 2168 N TRP A 138 -6.187 4.891 -11.437 1.00 0.00 N ATOM 2169 CA TRP A 138 -5.221 4.327 -12.373 1.00 0.00 C ATOM 2170 C TRP A 138 -5.879 4.020 -13.714 1.00 0.00 C ATOM 2171 O TRP A 138 -5.234 4.081 -14.760 1.00 0.00 O ATOM 2172 CB TRP A 138 -4.599 3.056 -11.793 1.00 0.00 C ATOM 2173 CG TRP A 138 -3.346 3.311 -11.013 1.00 0.00 C ATOM 2174 CD1 TRP A 138 -2.062 3.144 -11.447 1.00 0.00 C ATOM 2175 CD2 TRP A 138 -3.257 3.776 -9.661 1.00 0.00 C ATOM 2176 NE1 TRP A 138 -1.180 3.478 -10.447 1.00 0.00 N ATOM 2177 CE2 TRP A 138 -1.888 3.869 -9.342 1.00 0.00 C ATOM 2178 CE3 TRP A 138 -4.201 4.124 -8.691 1.00 0.00 C ATOM 2179 CZ2 TRP A 138 -1.443 4.295 -8.093 1.00 0.00 C ATOM 2180 CZ3 TRP A 138 -3.757 4.546 -7.452 1.00 0.00 C ATOM 2181 CH2 TRP A 138 -2.389 4.630 -7.162 1.00 0.00 C ATOM 0 H TRP A 138 -6.198 4.442 -10.521 1.00 0.00 H new ATOM 0 HA TRP A 138 -4.436 5.065 -12.535 1.00 0.00 H new ATOM 0 HB2 TRP A 138 -5.327 2.566 -11.147 1.00 0.00 H new ATOM 0 HB3 TRP A 138 -4.378 2.365 -12.606 1.00 0.00 H new ATOM 0 HD1 TRP A 138 -1.781 2.800 -12.431 1.00 0.00 H new ATOM 0 HE1 TRP A 138 -0.163 3.441 -10.517 1.00 0.00 H new ATOM 0 HE3 TRP A 138 -5.258 4.064 -8.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 -0.389 4.359 -7.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 -4.477 4.816 -6.694 1.00 0.00 H new ATOM 0 HH2 TRP A 138 -2.075 4.966 -6.185 1.00 0.00 H new ATOM 2192 N GLU A 139 -7.166 3.689 -13.675 1.00 0.00 N ATOM 2193 CA GLU A 139 -7.910 3.371 -14.889 1.00 0.00 C ATOM 2194 C GLU A 139 -8.098 4.615 -15.753 1.00 0.00 C ATOM 2195 O GLU A 139 -8.174 4.527 -16.978 1.00 0.00 O ATOM 2196 CB GLU A 139 -9.272 2.771 -14.536 1.00 0.00 C ATOM 2197 CG GLU A 139 -9.211 1.727 -13.434 1.00 0.00 C ATOM 2198 CD GLU A 139 -10.396 0.782 -13.459 1.00 0.00 C ATOM 2199 OE1 GLU A 139 -11.500 1.223 -13.843 1.00 0.00 O ATOM 2200 OE2 GLU A 139 -10.220 -0.399 -13.093 1.00 0.00 O ATOM 0 H GLU A 139 -7.715 3.634 -12.817 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.335 2.639 -15.456 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -9.944 3.572 -14.229 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -9.703 2.319 -15.429 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -8.290 1.152 -13.534 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -9.171 2.227 -12.467 1.00 0.00 H new ATOM 2207 N ARG A 140 -8.173 5.773 -15.104 1.00 0.00 N ATOM 2208 CA ARG A 140 -8.354 7.035 -15.811 1.00 0.00 C ATOM 2209 C ARG A 140 -7.107 7.390 -16.617 1.00 0.00 C ATOM 2210 O ARG A 140 -7.186 8.094 -17.625 1.00 0.00 O ATOM 2211 CB ARG A 140 -8.672 8.157 -14.822 1.00 0.00 C ATOM 2212 CG ARG A 140 -9.958 7.935 -14.042 1.00 0.00 C ATOM 2213 CD ARG A 140 -10.391 9.197 -13.311 1.00 0.00 C ATOM 2214 NE ARG A 140 -10.755 10.267 -14.236 1.00 0.00 N ATOM 2215 CZ ARG A 140 -11.280 11.424 -13.850 1.00 0.00 C ATOM 2216 NH1 ARG A 140 -11.501 11.660 -12.564 1.00 0.00 N ATOM 2217 NH2 ARG A 140 -11.585 12.350 -14.751 1.00 0.00 N ATOM 0 H ARG A 140 -8.111 5.863 -14.090 1.00 0.00 H new ATOM 0 HA ARG A 140 -9.191 6.920 -16.500 1.00 0.00 H new ATOM 0 HB2 ARG A 140 -7.844 8.257 -14.120 1.00 0.00 H new ATOM 0 HB3 ARG A 140 -8.745 9.099 -15.365 1.00 0.00 H new ATOM 0 HG2 ARG A 140 -10.748 7.619 -14.723 1.00 0.00 H new ATOM 0 HG3 ARG A 140 -9.814 7.128 -13.323 1.00 0.00 H new ATOM 0 HD2 ARG A 140 -11.241 8.970 -12.667 1.00 0.00 H new ATOM 0 HD3 ARG A 140 -9.582 9.537 -12.664 1.00 0.00 H new ATOM 0 HE ARG A 140 -10.597 10.117 -15.233 1.00 0.00 H new ATOM 0 HH11 ARG A 140 -11.268 10.952 -11.868 1.00 0.00 H new ATOM 0 HH12 ARG A 140 -11.904 12.550 -12.271 1.00 0.00 H new ATOM 0 HH21 ARG A 140 -11.416 12.173 -15.741 1.00 0.00 H new ATOM 0 HH22 ARG A 140 -11.988 13.238 -14.453 1.00 0.00 H new ATOM 2231 N LEU A 141 -5.958 6.900 -16.166 1.00 0.00 N ATOM 2232 CA LEU A 141 -4.694 7.166 -16.843 1.00 0.00 C ATOM 2233 C LEU A 141 -4.723 6.639 -18.275 1.00 0.00 C ATOM 2234 O LEU A 141 -4.231 7.291 -19.196 1.00 0.00 O ATOM 2235 CB LEU A 141 -3.537 6.526 -16.075 1.00 0.00 C ATOM 2236 CG LEU A 141 -3.453 6.860 -14.586 1.00 0.00 C ATOM 2237 CD1 LEU A 141 -2.299 6.114 -13.935 1.00 0.00 C ATOM 2238 CD2 LEU A 141 -3.301 8.361 -14.384 1.00 0.00 C ATOM 0 H LEU A 141 -5.876 6.316 -15.334 1.00 0.00 H new ATOM 0 HA LEU A 141 -4.547 8.246 -16.875 1.00 0.00 H new ATOM 0 HB2 LEU A 141 -3.612 5.444 -16.180 1.00 0.00 H new ATOM 0 HB3 LEU A 141 -2.602 6.828 -16.548 1.00 0.00 H new ATOM 0 HG LEU A 141 -4.380 6.541 -14.109 1.00 0.00 H new ATOM 0 HD11 LEU A 141 -2.255 6.365 -12.875 1.00 0.00 H new ATOM 0 HD12 LEU A 141 -2.450 5.040 -14.048 1.00 0.00 H new ATOM 0 HD13 LEU A 141 -1.363 6.401 -14.415 1.00 0.00 H new ATOM 0 HD21 LEU A 141 -3.243 8.581 -13.318 1.00 0.00 H new ATOM 0 HD22 LEU A 141 -2.390 8.704 -14.875 1.00 0.00 H new ATOM 0 HD23 LEU A 141 -4.161 8.875 -14.814 1.00 0.00 H new TER 2250 LEU A 141