USER MOD reduce.3.24.130724 H: found=0, std=0, add=952, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 950 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 1 MET CE :methyl -179:sc= -0.0123 (180deg=-0.0184) USER MOD Set 1.2: A 103 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 101 ASN : amide:sc= 0.402 K(o=1.6,f=-3.8!) USER MOD Set 2.2: A 105 SER OG : rot 139:sc= 1.17 USER MOD Set 3.1: A 10 ASN : amide:sc= 0.261 K(o=0.51,f=-3.6!) USER MOD Set 3.2: A 26 TYR OH : rot 35:sc= 0.25 USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.134 (180deg=-0.128) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot -67:sc= 2.19 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.013) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.136 K(o=-0.14,f=-1.2) USER MOD Single : A 35 ASN : amide:sc= 0.696 K(o=0.7,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.468 X(o=-0.47,f=-0.18) USER MOD Single : A 49 GLN : amide:sc= -0.0334 K(o=-0.033,f=-0.61) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 58 ASN : amide:sc=-0.00677 X(o=-0.0068,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= 0.489 (180deg=0.47) USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 0.146 (180deg=0.136) USER MOD Single : A 84 MET CE :methyl -158:sc= -0.0868 (180deg=-0.561) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -104:sc= 1.05 (180deg=0.0388) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 141:sc= 1.42 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 107 GLN : amide:sc= -0.0493 K(o=-0.049,f=-0.62) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 113 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc=-0.00262 X(o=-0.0026,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.0287 X(o=-0.029,f=-0.47) USER MOD Single : A 119 HIS : no HD1:sc= -0.208 X(o=-0.21,f=-0.0069) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 123 HIS : no HE2:sc= 1.12 K(o=1.1,f=-4.7!) USER MOD Single : A 124 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.664 -9.855 -2.800 1.00 0.00 N ATOM 2 CA MET A 1 -3.636 -8.431 -3.181 1.00 0.00 C ATOM 3 C MET A 1 -2.549 -7.731 -2.389 1.00 0.00 C ATOM 4 O MET A 1 -2.169 -8.223 -1.333 1.00 0.00 O ATOM 5 CB MET A 1 -4.999 -7.751 -2.983 1.00 0.00 C ATOM 6 CG MET A 1 -5.307 -7.431 -1.520 1.00 0.00 C ATOM 7 SD MET A 1 -7.050 -7.451 -1.034 1.00 0.00 S ATOM 8 CE MET A 1 -7.711 -6.227 -2.187 1.00 0.00 C ATOM 0 H1 MET A 1 -3.363 -10.437 -3.608 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.018 -10.013 -2.000 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.630 -10.121 -2.523 1.00 0.00 H new ATOM 0 HA MET A 1 -3.414 -8.359 -4.246 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.025 -6.828 -3.563 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.781 -8.398 -3.379 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.771 -8.146 -0.895 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.902 -6.444 -1.295 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.779 -6.102 -2.012 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.204 -5.274 -2.036 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.549 -6.566 -3.210 1.00 0.00 H new ATOM 18 N ILE A 2 -2.053 -6.588 -2.854 1.00 0.00 N ATOM 19 CA ILE A 2 -0.923 -5.908 -2.241 1.00 0.00 C ATOM 20 C ILE A 2 -1.383 -4.491 -1.915 1.00 0.00 C ATOM 21 O ILE A 2 -2.016 -3.843 -2.754 1.00 0.00 O ATOM 22 CB ILE A 2 0.312 -5.958 -3.158 1.00 0.00 C ATOM 23 CG1 ILE A 2 0.489 -7.335 -3.830 1.00 0.00 C ATOM 24 CG2 ILE A 2 1.585 -5.577 -2.400 1.00 0.00 C ATOM 25 CD1 ILE A 2 1.736 -7.439 -4.702 1.00 0.00 C ATOM 0 H ILE A 2 -2.428 -6.107 -3.672 1.00 0.00 H new ATOM 0 HA ILE A 2 -0.607 -6.399 -1.321 1.00 0.00 H new ATOM 0 HB ILE A 2 0.139 -5.224 -3.945 1.00 0.00 H new ATOM 0 HG12 ILE A 2 0.532 -8.103 -3.058 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -0.389 -7.546 -4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 2 2.439 -5.622 -3.076 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.486 -4.565 -2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.739 -6.272 -1.575 1.00 0.00 H new ATOM 0 HD11 ILE A 2 1.792 -8.436 -5.140 1.00 0.00 H new ATOM 0 HD12 ILE A 2 1.687 -6.695 -5.497 1.00 0.00 H new ATOM 0 HD13 ILE A 2 2.622 -7.261 -4.093 1.00 0.00 H new ATOM 37 N ILE A 3 -1.100 -4.060 -0.690 1.00 0.00 N ATOM 38 CA ILE A 3 -1.642 -2.916 0.026 1.00 0.00 C ATOM 39 C ILE A 3 -0.450 -2.042 0.388 1.00 0.00 C ATOM 40 O ILE A 3 0.331 -2.418 1.256 1.00 0.00 O ATOM 41 CB ILE A 3 -2.380 -3.416 1.288 1.00 0.00 C ATOM 42 CG1 ILE A 3 -3.645 -4.210 0.907 1.00 0.00 C ATOM 43 CG2 ILE A 3 -2.735 -2.257 2.229 1.00 0.00 C ATOM 44 CD1 ILE A 3 -4.009 -5.237 1.983 1.00 0.00 C ATOM 0 H ILE A 3 -0.416 -4.555 -0.119 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.359 -2.350 -0.568 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.701 -4.082 1.821 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.478 -3.522 0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -3.484 -4.719 -0.043 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.253 -2.646 3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -1.822 -1.750 2.542 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.382 -1.551 1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.906 -5.778 1.681 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.186 -5.940 2.108 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.195 -4.725 2.927 1.00 0.00 H new ATOM 56 N ALA A 4 -0.259 -0.932 -0.319 1.00 0.00 N ATOM 57 CA ALA A 4 0.840 -0.006 -0.023 1.00 0.00 C ATOM 58 C ALA A 4 0.427 0.897 1.112 1.00 0.00 C ATOM 59 O ALA A 4 -0.633 1.519 1.039 1.00 0.00 O ATOM 60 CB ALA A 4 1.238 0.890 -1.205 1.00 0.00 C ATOM 0 H ALA A 4 -0.848 -0.648 -1.102 1.00 0.00 H new ATOM 0 HA ALA A 4 1.701 -0.627 0.224 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.056 1.545 -0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.558 0.268 -2.041 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.382 1.493 -1.508 1.00 0.00 H new ATOM 66 N ILE A 5 1.310 1.075 2.084 1.00 0.00 N ATOM 67 CA ILE A 5 1.185 2.097 3.103 1.00 0.00 C ATOM 68 C ILE A 5 2.512 2.850 3.091 1.00 0.00 C ATOM 69 O ILE A 5 3.555 2.231 3.291 1.00 0.00 O ATOM 70 CB ILE A 5 0.818 1.479 4.465 1.00 0.00 C ATOM 71 CG1 ILE A 5 -0.600 0.882 4.397 1.00 0.00 C ATOM 72 CG2 ILE A 5 0.818 2.566 5.555 1.00 0.00 C ATOM 73 CD1 ILE A 5 -0.846 -0.235 5.394 1.00 0.00 C ATOM 0 H ILE A 5 2.147 0.501 2.185 1.00 0.00 H new ATOM 0 HA ILE A 5 0.370 2.794 2.906 1.00 0.00 H new ATOM 0 HB ILE A 5 1.550 0.707 4.702 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.326 1.676 4.570 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.776 0.502 3.390 1.00 0.00 H new ATOM 0 HG21 ILE A 5 0.557 2.119 6.514 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.809 3.015 5.621 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.088 3.335 5.302 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -1.866 -0.603 5.284 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.145 -1.049 5.209 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.704 0.143 6.406 1.00 0.00 H new ATOM 85 N PRO A 6 2.525 4.157 2.790 1.00 0.00 N ATOM 86 CA PRO A 6 3.718 4.967 2.947 1.00 0.00 C ATOM 87 C PRO A 6 4.016 5.027 4.439 1.00 0.00 C ATOM 88 O PRO A 6 3.115 5.399 5.192 1.00 0.00 O ATOM 89 CB PRO A 6 3.352 6.337 2.370 1.00 0.00 C ATOM 90 CG PRO A 6 1.838 6.428 2.526 1.00 0.00 C ATOM 91 CD PRO A 6 1.375 4.978 2.467 1.00 0.00 C ATOM 0 HA PRO A 6 4.604 4.583 2.441 1.00 0.00 H new ATOM 0 HB2 PRO A 6 3.855 7.141 2.908 1.00 0.00 H new ATOM 0 HB3 PRO A 6 3.648 6.419 1.324 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.561 6.897 3.470 1.00 0.00 H new ATOM 0 HG3 PRO A 6 1.390 7.023 1.730 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.564 4.802 3.174 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.992 4.734 1.476 1.00 0.00 H new ATOM 99 N VAL A 7 5.228 4.697 4.880 1.00 0.00 N ATOM 100 CA VAL A 7 5.598 4.775 6.291 1.00 0.00 C ATOM 101 C VAL A 7 6.778 5.709 6.485 1.00 0.00 C ATOM 102 O VAL A 7 7.507 6.004 5.535 1.00 0.00 O ATOM 103 CB VAL A 7 5.799 3.381 6.915 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.454 2.658 7.013 1.00 0.00 C ATOM 105 CG2 VAL A 7 6.823 2.500 6.190 1.00 0.00 C ATOM 0 H VAL A 7 5.978 4.369 4.272 1.00 0.00 H new ATOM 0 HA VAL A 7 4.765 5.211 6.842 1.00 0.00 H new ATOM 0 HB VAL A 7 6.215 3.554 7.907 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.602 1.673 7.455 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.774 3.237 7.638 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.027 2.548 6.016 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.900 1.538 6.698 1.00 0.00 H new ATOM 0 HG22 VAL A 7 6.503 2.342 5.160 1.00 0.00 H new ATOM 0 HG23 VAL A 7 7.796 2.992 6.196 1.00 0.00 H new ATOM 115 N SER A 8 6.917 6.226 7.708 1.00 0.00 N ATOM 116 CA SER A 8 7.963 7.183 8.015 1.00 0.00 C ATOM 117 C SER A 8 9.324 6.487 8.144 1.00 0.00 C ATOM 118 O SER A 8 10.337 7.085 7.805 1.00 0.00 O ATOM 119 CB SER A 8 7.633 7.949 9.303 1.00 0.00 C ATOM 120 OG SER A 8 8.145 9.271 9.228 1.00 0.00 O ATOM 0 H SER A 8 6.314 5.993 8.497 1.00 0.00 H new ATOM 0 HA SER A 8 8.020 7.894 7.191 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.554 7.976 9.453 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.061 7.433 10.162 1.00 0.00 H new ATOM 0 HG SER A 8 7.928 9.753 10.053 1.00 0.00 H new ATOM 126 N GLU A 9 9.369 5.254 8.658 1.00 0.00 N ATOM 127 CA GLU A 9 10.582 4.454 8.761 1.00 0.00 C ATOM 128 C GLU A 9 10.213 2.985 8.566 1.00 0.00 C ATOM 129 O GLU A 9 9.037 2.608 8.591 1.00 0.00 O ATOM 130 CB GLU A 9 11.291 4.629 10.115 1.00 0.00 C ATOM 131 CG GLU A 9 11.715 6.064 10.459 1.00 0.00 C ATOM 132 CD GLU A 9 12.820 6.643 9.573 1.00 0.00 C ATOM 133 OE1 GLU A 9 13.740 5.895 9.172 1.00 0.00 O ATOM 134 OE2 GLU A 9 12.877 7.884 9.423 1.00 0.00 O ATOM 0 H GLU A 9 8.542 4.779 9.020 1.00 0.00 H new ATOM 0 HA GLU A 9 11.275 4.792 7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.629 4.266 10.901 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.177 3.994 10.126 1.00 0.00 H new ATOM 0 HG2 GLU A 9 10.840 6.711 10.392 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.051 6.089 11.496 1.00 0.00 H new ATOM 141 N ASN A 10 11.250 2.170 8.415 1.00 0.00 N ATOM 142 CA ASN A 10 11.303 0.732 8.268 1.00 0.00 C ATOM 143 C ASN A 10 11.267 0.102 9.650 1.00 0.00 C ATOM 144 O ASN A 10 12.296 -0.134 10.281 1.00 0.00 O ATOM 145 CB ASN A 10 12.590 0.325 7.516 1.00 0.00 C ATOM 146 CG ASN A 10 13.890 0.992 8.001 1.00 0.00 C ATOM 147 OD1 ASN A 10 13.918 1.825 8.910 1.00 0.00 O ATOM 148 ND2 ASN A 10 14.998 0.708 7.356 1.00 0.00 N ATOM 0 H ASN A 10 12.192 2.560 8.391 1.00 0.00 H new ATOM 0 HA ASN A 10 10.449 0.383 7.688 1.00 0.00 H new ATOM 0 HB2 ASN A 10 12.707 -0.756 7.595 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.458 0.555 6.459 1.00 0.00 H new ATOM 0 HD21 ASN A 10 15.869 1.175 7.609 1.00 0.00 H new ATOM 0 HD22 ASN A 10 14.988 0.021 6.602 1.00 0.00 H new ATOM 155 N ARG A 11 10.065 -0.179 10.143 1.00 0.00 N ATOM 156 CA ARG A 11 9.882 -0.815 11.435 1.00 0.00 C ATOM 157 C ARG A 11 8.960 -2.033 11.316 1.00 0.00 C ATOM 158 O ARG A 11 8.200 -2.329 12.233 1.00 0.00 O ATOM 159 CB ARG A 11 9.338 0.202 12.448 1.00 0.00 C ATOM 160 CG ARG A 11 10.024 1.574 12.473 1.00 0.00 C ATOM 161 CD ARG A 11 9.395 2.372 13.617 1.00 0.00 C ATOM 162 NE ARG A 11 10.064 3.661 13.855 1.00 0.00 N ATOM 163 CZ ARG A 11 10.592 4.067 15.015 1.00 0.00 C ATOM 164 NH1 ARG A 11 10.529 3.289 16.096 1.00 0.00 N ATOM 165 NH2 ARG A 11 11.184 5.255 15.091 1.00 0.00 N ATOM 0 H ARG A 11 9.194 0.029 9.656 1.00 0.00 H new ATOM 0 HA ARG A 11 10.848 -1.171 11.793 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.278 0.354 12.244 1.00 0.00 H new ATOM 0 HB3 ARG A 11 9.412 -0.235 13.444 1.00 0.00 H new ATOM 0 HG2 ARG A 11 11.098 1.465 12.625 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.887 2.090 11.523 1.00 0.00 H new ATOM 0 HD2 ARG A 11 8.343 2.551 13.393 1.00 0.00 H new ATOM 0 HD3 ARG A 11 9.430 1.777 14.530 1.00 0.00 H new ATOM 0 HE ARG A 11 10.131 4.302 13.065 1.00 0.00 H new ATOM 0 HH11 ARG A 11 10.076 2.377 16.042 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.934 3.606 16.977 1.00 0.00 H new ATOM 0 HH21 ARG A 11 11.234 5.853 14.266 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.588 5.568 15.974 1.00 0.00 H new ATOM 179 N GLY A 12 9.096 -2.799 10.234 1.00 0.00 N ATOM 180 CA GLY A 12 8.522 -4.129 10.045 1.00 0.00 C ATOM 181 C GLY A 12 7.004 -4.125 9.971 1.00 0.00 C ATOM 182 O GLY A 12 6.457 -4.265 8.880 1.00 0.00 O ATOM 0 H GLY A 12 9.637 -2.492 9.425 1.00 0.00 H new ATOM 0 HA2 GLY A 12 8.922 -4.563 9.129 1.00 0.00 H new ATOM 0 HA3 GLY A 12 8.837 -4.773 10.866 1.00 0.00 H new ATOM 186 N LYS A 13 6.338 -4.065 11.126 1.00 0.00 N ATOM 187 CA LYS A 13 4.882 -3.962 11.272 1.00 0.00 C ATOM 188 C LYS A 13 4.487 -2.703 12.040 1.00 0.00 C ATOM 189 O LYS A 13 3.461 -2.087 11.749 1.00 0.00 O ATOM 190 CB LYS A 13 4.367 -5.215 11.980 1.00 0.00 C ATOM 191 CG LYS A 13 4.724 -6.513 11.244 1.00 0.00 C ATOM 192 CD LYS A 13 4.459 -7.747 12.105 1.00 0.00 C ATOM 193 CE LYS A 13 5.500 -7.821 13.227 1.00 0.00 C ATOM 194 NZ LYS A 13 5.293 -8.997 14.087 1.00 0.00 N ATOM 0 H LYS A 13 6.819 -4.088 12.025 1.00 0.00 H new ATOM 0 HA LYS A 13 4.429 -3.887 10.283 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.780 -5.251 12.988 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.284 -5.148 12.081 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.143 -6.580 10.324 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.775 -6.490 10.956 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.456 -7.700 12.528 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.504 -8.647 11.492 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.499 -7.859 12.794 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.449 -6.915 13.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.016 -9.012 14.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.349 -8.948 14.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 5.367 -9.863 13.515 1.00 0.00 H new ATOM 208 N ASP A 14 5.346 -2.327 12.989 1.00 0.00 N ATOM 209 CA ASP A 14 5.314 -1.097 13.799 1.00 0.00 C ATOM 210 C ASP A 14 5.558 0.159 12.954 1.00 0.00 C ATOM 211 O ASP A 14 5.534 1.272 13.480 1.00 0.00 O ATOM 212 CB ASP A 14 6.399 -1.097 14.900 1.00 0.00 C ATOM 213 CG ASP A 14 6.660 -2.436 15.570 1.00 0.00 C ATOM 214 OD1 ASP A 14 5.707 -3.007 16.147 1.00 0.00 O ATOM 215 OD2 ASP A 14 7.789 -2.962 15.408 1.00 0.00 O ATOM 0 H ASP A 14 6.143 -2.914 13.233 1.00 0.00 H new ATOM 0 HA ASP A 14 4.317 -1.079 14.238 1.00 0.00 H new ATOM 0 HB2 ASP A 14 7.333 -0.742 14.464 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.112 -0.378 15.667 1.00 0.00 H new ATOM 220 N SER A 15 5.866 -0.018 11.668 1.00 0.00 N ATOM 221 CA SER A 15 6.069 1.001 10.649 1.00 0.00 C ATOM 222 C SER A 15 4.884 1.982 10.703 1.00 0.00 C ATOM 223 O SER A 15 3.756 1.584 10.407 1.00 0.00 O ATOM 224 CB SER A 15 6.297 0.258 9.321 1.00 0.00 C ATOM 225 OG SER A 15 7.635 0.353 8.873 1.00 0.00 O ATOM 0 H SER A 15 5.989 -0.956 11.286 1.00 0.00 H new ATOM 0 HA SER A 15 6.947 1.630 10.796 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.032 -0.792 9.445 1.00 0.00 H new ATOM 0 HB3 SER A 15 5.632 0.667 8.560 1.00 0.00 H new ATOM 0 HG SER A 15 7.834 1.282 8.631 1.00 0.00 H new ATOM 231 N PRO A 16 5.082 3.235 11.163 1.00 0.00 N ATOM 232 CA PRO A 16 3.992 4.185 11.316 1.00 0.00 C ATOM 233 C PRO A 16 3.715 4.851 9.970 1.00 0.00 C ATOM 234 O PRO A 16 4.643 5.247 9.255 1.00 0.00 O ATOM 235 CB PRO A 16 4.488 5.197 12.346 1.00 0.00 C ATOM 236 CG PRO A 16 5.982 5.266 12.038 1.00 0.00 C ATOM 237 CD PRO A 16 6.313 3.814 11.691 1.00 0.00 C ATOM 0 HA PRO A 16 3.061 3.721 11.641 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.003 6.166 12.230 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.298 4.865 13.367 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.195 5.941 11.209 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.557 5.621 12.893 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.115 3.762 10.955 1.00 0.00 H new ATOM 0 HD3 PRO A 16 6.653 3.270 12.572 1.00 0.00 H new ATOM 245 N ILE A 17 2.442 5.006 9.628 1.00 0.00 N ATOM 246 CA ILE A 17 2.024 5.623 8.380 1.00 0.00 C ATOM 247 C ILE A 17 2.564 7.063 8.269 1.00 0.00 C ATOM 248 O ILE A 17 2.503 7.862 9.214 1.00 0.00 O ATOM 249 CB ILE A 17 0.496 5.482 8.257 1.00 0.00 C ATOM 250 CG1 ILE A 17 0.021 5.862 6.843 1.00 0.00 C ATOM 251 CG2 ILE A 17 -0.229 6.281 9.342 1.00 0.00 C ATOM 252 CD1 ILE A 17 -1.421 5.442 6.544 1.00 0.00 C ATOM 0 H ILE A 17 1.665 4.703 10.216 1.00 0.00 H new ATOM 0 HA ILE A 17 2.456 5.114 7.519 1.00 0.00 H new ATOM 0 HB ILE A 17 0.240 4.434 8.415 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.109 6.941 6.718 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.684 5.401 6.111 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.306 6.159 9.225 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.073 5.918 10.324 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.029 7.336 9.250 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -1.685 5.743 5.530 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.511 4.360 6.636 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -2.095 5.924 7.253 1.00 0.00 H new ATOM 264 N SER A 18 3.112 7.393 7.102 1.00 0.00 N ATOM 265 CA SER A 18 3.571 8.718 6.735 1.00 0.00 C ATOM 266 C SER A 18 2.364 9.608 6.466 1.00 0.00 C ATOM 267 O SER A 18 1.241 9.148 6.241 1.00 0.00 O ATOM 268 CB SER A 18 4.396 8.649 5.446 1.00 0.00 C ATOM 269 OG SER A 18 5.213 9.791 5.241 1.00 0.00 O ATOM 0 H SER A 18 3.252 6.709 6.358 1.00 0.00 H new ATOM 0 HA SER A 18 4.177 9.117 7.548 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.026 7.760 5.473 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.722 8.536 4.597 1.00 0.00 H new ATOM 0 HG SER A 18 5.715 9.688 4.406 1.00 0.00 H new ATOM 275 N GLU A 19 2.628 10.904 6.367 1.00 0.00 N ATOM 276 CA GLU A 19 1.567 11.888 6.218 1.00 0.00 C ATOM 277 C GLU A 19 1.239 12.172 4.760 1.00 0.00 C ATOM 278 O GLU A 19 0.160 12.663 4.451 1.00 0.00 O ATOM 279 CB GLU A 19 1.986 13.206 6.883 1.00 0.00 C ATOM 280 CG GLU A 19 2.205 13.123 8.404 1.00 0.00 C ATOM 281 CD GLU A 19 1.258 14.071 9.141 1.00 0.00 C ATOM 282 OE1 GLU A 19 1.590 15.272 9.289 1.00 0.00 O ATOM 283 OE2 GLU A 19 0.142 13.630 9.513 1.00 0.00 O ATOM 0 H GLU A 19 3.569 11.297 6.387 1.00 0.00 H new ATOM 0 HA GLU A 19 0.680 11.472 6.695 1.00 0.00 H new ATOM 0 HB2 GLU A 19 2.907 13.555 6.416 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.222 13.957 6.681 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.041 12.101 8.744 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.238 13.376 8.642 1.00 0.00 H new ATOM 290 N HIS A 20 2.151 11.877 3.841 1.00 0.00 N ATOM 291 CA HIS A 20 1.978 12.084 2.410 1.00 0.00 C ATOM 292 C HIS A 20 2.448 10.800 1.737 1.00 0.00 C ATOM 293 O HIS A 20 2.718 9.797 2.402 1.00 0.00 O ATOM 294 CB HIS A 20 2.751 13.346 1.973 1.00 0.00 C ATOM 295 CG HIS A 20 2.575 14.581 2.847 1.00 0.00 C ATOM 296 ND1 HIS A 20 3.607 15.307 3.421 1.00 0.00 N ATOM 297 CD2 HIS A 20 1.392 15.139 3.263 1.00 0.00 C ATOM 298 CE1 HIS A 20 3.052 16.288 4.159 1.00 0.00 C ATOM 299 NE2 HIS A 20 1.712 16.199 4.095 1.00 0.00 N ATOM 0 H HIS A 20 3.058 11.475 4.079 1.00 0.00 H new ATOM 0 HA HIS A 20 0.943 12.270 2.122 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.813 13.101 1.936 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.447 13.599 0.957 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.399 14.813 2.992 1.00 0.00 H new ATOM 0 HE1 HIS A 20 3.600 17.033 4.717 1.00 0.00 H new ATOM 0 HE2 HIS A 20 1.047 16.806 4.575 1.00 0.00 H new ATOM 308 N PHE A 21 2.440 10.795 0.409 1.00 0.00 N ATOM 309 CA PHE A 21 2.785 9.627 -0.390 1.00 0.00 C ATOM 310 C PHE A 21 3.972 9.927 -1.294 1.00 0.00 C ATOM 311 O PHE A 21 4.937 9.178 -1.314 1.00 0.00 O ATOM 312 CB PHE A 21 1.543 9.194 -1.168 1.00 0.00 C ATOM 313 CG PHE A 21 1.821 8.161 -2.237 1.00 0.00 C ATOM 314 CD1 PHE A 21 1.813 6.798 -1.898 1.00 0.00 C ATOM 315 CD2 PHE A 21 2.134 8.563 -3.553 1.00 0.00 C ATOM 316 CE1 PHE A 21 2.133 5.842 -2.872 1.00 0.00 C ATOM 317 CE2 PHE A 21 2.422 7.600 -4.538 1.00 0.00 C ATOM 318 CZ PHE A 21 2.418 6.243 -4.189 1.00 0.00 C ATOM 0 H PHE A 21 2.191 11.612 -0.149 1.00 0.00 H new ATOM 0 HA PHE A 21 3.096 8.801 0.250 1.00 0.00 H new ATOM 0 HB2 PHE A 21 0.810 8.791 -0.469 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.092 10.071 -1.632 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.562 6.489 -0.894 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.153 9.613 -3.805 1.00 0.00 H new ATOM 0 HE1 PHE A 21 2.161 4.795 -2.610 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.643 7.903 -5.551 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.636 5.497 -4.939 1.00 0.00 H new ATOM 328 N GLY A 22 3.923 11.045 -2.032 1.00 0.00 N ATOM 329 CA GLY A 22 4.858 11.310 -3.124 1.00 0.00 C ATOM 330 C GLY A 22 6.324 11.498 -2.709 1.00 0.00 C ATOM 331 O GLY A 22 7.177 11.668 -3.578 1.00 0.00 O ATOM 0 H GLY A 22 3.236 11.785 -1.886 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.803 10.485 -3.834 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.530 12.206 -3.650 1.00 0.00 H new ATOM 335 N ARG A 23 6.611 11.523 -1.410 1.00 0.00 N ATOM 336 CA ARG A 23 7.931 11.560 -0.789 1.00 0.00 C ATOM 337 C ARG A 23 7.815 10.816 0.546 1.00 0.00 C ATOM 338 O ARG A 23 8.170 11.337 1.599 1.00 0.00 O ATOM 339 CB ARG A 23 8.459 13.008 -0.648 1.00 0.00 C ATOM 340 CG ARG A 23 7.443 14.008 -0.065 1.00 0.00 C ATOM 341 CD ARG A 23 6.696 14.764 -1.175 1.00 0.00 C ATOM 342 NE ARG A 23 5.408 15.284 -0.687 1.00 0.00 N ATOM 343 CZ ARG A 23 4.219 15.237 -1.301 1.00 0.00 C ATOM 344 NH1 ARG A 23 4.116 14.817 -2.560 1.00 0.00 N ATOM 345 NH2 ARG A 23 3.132 15.595 -0.627 1.00 0.00 N ATOM 0 H ARG A 23 5.869 11.517 -0.711 1.00 0.00 H new ATOM 0 HA ARG A 23 8.675 11.065 -1.414 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.344 12.997 -0.012 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.775 13.362 -1.629 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.726 13.477 0.561 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.960 14.721 0.578 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.311 15.588 -1.536 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.526 14.099 -2.022 1.00 0.00 H new ATOM 0 HE ARG A 23 5.423 15.734 0.228 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.950 14.525 -3.070 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.203 14.787 -3.014 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.211 15.900 0.343 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.218 15.565 -1.080 1.00 0.00 H new ATOM 359 N ALA A 24 7.189 9.640 0.546 1.00 0.00 N ATOM 360 CA ALA A 24 7.363 8.701 1.644 1.00 0.00 C ATOM 361 C ALA A 24 8.815 8.192 1.550 1.00 0.00 C ATOM 362 O ALA A 24 9.295 8.002 0.433 1.00 0.00 O ATOM 363 CB ALA A 24 6.375 7.545 1.464 1.00 0.00 C ATOM 0 H ALA A 24 6.565 9.321 -0.195 1.00 0.00 H new ATOM 0 HA ALA A 24 7.178 9.159 2.616 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.495 6.833 2.281 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.356 7.933 1.467 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.569 7.045 0.515 1.00 0.00 H new ATOM 369 N PRO A 25 9.516 7.951 2.664 1.00 0.00 N ATOM 370 CA PRO A 25 10.812 7.277 2.638 1.00 0.00 C ATOM 371 C PRO A 25 10.695 5.748 2.487 1.00 0.00 C ATOM 372 O PRO A 25 11.670 5.099 2.114 1.00 0.00 O ATOM 373 CB PRO A 25 11.492 7.680 3.948 1.00 0.00 C ATOM 374 CG PRO A 25 10.319 7.948 4.889 1.00 0.00 C ATOM 375 CD PRO A 25 9.227 8.494 3.980 1.00 0.00 C ATOM 0 HA PRO A 25 11.394 7.577 1.767 1.00 0.00 H new ATOM 0 HB2 PRO A 25 12.137 6.887 4.326 1.00 0.00 H new ATOM 0 HB3 PRO A 25 12.116 8.565 3.821 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.998 7.037 5.394 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.587 8.665 5.665 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.239 8.187 4.324 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.235 9.584 3.966 1.00 0.00 H new ATOM 383 N TYR A 26 9.520 5.150 2.723 1.00 0.00 N ATOM 384 CA TYR A 26 9.308 3.702 2.681 1.00 0.00 C ATOM 385 C TYR A 26 7.873 3.403 2.245 1.00 0.00 C ATOM 386 O TYR A 26 6.977 4.222 2.474 1.00 0.00 O ATOM 387 CB TYR A 26 9.523 3.119 4.085 1.00 0.00 C ATOM 388 CG TYR A 26 10.941 3.178 4.607 1.00 0.00 C ATOM 389 CD1 TYR A 26 11.850 2.157 4.295 1.00 0.00 C ATOM 390 CD2 TYR A 26 11.355 4.259 5.404 1.00 0.00 C ATOM 391 CE1 TYR A 26 13.187 2.273 4.702 1.00 0.00 C ATOM 392 CE2 TYR A 26 12.701 4.388 5.801 1.00 0.00 C ATOM 393 CZ TYR A 26 13.637 3.404 5.413 1.00 0.00 C ATOM 394 OH TYR A 26 14.961 3.538 5.693 1.00 0.00 O ATOM 0 H TYR A 26 8.675 5.672 2.953 1.00 0.00 H new ATOM 0 HA TYR A 26 10.009 3.258 1.975 1.00 0.00 H new ATOM 0 HB2 TYR A 26 8.876 3.650 4.783 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.200 2.078 4.080 1.00 0.00 H new ATOM 0 HD1 TYR A 26 11.523 1.287 3.745 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.633 4.999 5.716 1.00 0.00 H new ATOM 0 HE1 TYR A 26 13.884 1.482 4.467 1.00 0.00 H new ATOM 0 HE2 TYR A 26 13.014 5.232 6.397 1.00 0.00 H new ATOM 0 HH TYR A 26 15.490 3.171 4.954 1.00 0.00 H new ATOM 404 N PHE A 27 7.645 2.216 1.687 1.00 0.00 N ATOM 405 CA PHE A 27 6.341 1.645 1.379 1.00 0.00 C ATOM 406 C PHE A 27 6.277 0.272 2.018 1.00 0.00 C ATOM 407 O PHE A 27 6.993 -0.638 1.608 1.00 0.00 O ATOM 408 CB PHE A 27 6.111 1.538 -0.138 1.00 0.00 C ATOM 409 CG PHE A 27 5.895 2.878 -0.813 1.00 0.00 C ATOM 410 CD1 PHE A 27 4.860 3.738 -0.396 1.00 0.00 C ATOM 411 CD2 PHE A 27 6.750 3.282 -1.850 1.00 0.00 C ATOM 412 CE1 PHE A 27 4.705 4.996 -0.999 1.00 0.00 C ATOM 413 CE2 PHE A 27 6.560 4.519 -2.484 1.00 0.00 C ATOM 414 CZ PHE A 27 5.560 5.395 -2.035 1.00 0.00 C ATOM 0 H PHE A 27 8.410 1.594 1.424 1.00 0.00 H new ATOM 0 HA PHE A 27 5.558 2.294 1.772 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.970 1.045 -0.594 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.244 0.903 -0.322 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.185 3.429 0.388 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.558 2.637 -2.162 1.00 0.00 H new ATOM 0 HE1 PHE A 27 3.922 5.660 -0.663 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.185 4.798 -3.320 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.450 6.371 -2.485 1.00 0.00 H new ATOM 424 N ALA A 28 5.394 0.107 2.999 1.00 0.00 N ATOM 425 CA ALA A 28 4.958 -1.207 3.421 1.00 0.00 C ATOM 426 C ALA A 28 3.909 -1.653 2.414 1.00 0.00 C ATOM 427 O ALA A 28 2.731 -1.350 2.574 1.00 0.00 O ATOM 428 CB ALA A 28 4.399 -1.131 4.847 1.00 0.00 C ATOM 0 H ALA A 28 4.968 0.877 3.515 1.00 0.00 H new ATOM 0 HA ALA A 28 5.775 -1.928 3.447 1.00 0.00 H new ATOM 0 HB1 ALA A 28 4.071 -2.122 5.163 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.175 -0.773 5.523 1.00 0.00 H new ATOM 0 HB3 ALA A 28 3.553 -0.444 4.870 1.00 0.00 H new ATOM 434 N PHE A 29 4.341 -2.299 1.332 1.00 0.00 N ATOM 435 CA PHE A 29 3.472 -3.126 0.519 1.00 0.00 C ATOM 436 C PHE A 29 3.241 -4.420 1.294 1.00 0.00 C ATOM 437 O PHE A 29 4.020 -5.368 1.215 1.00 0.00 O ATOM 438 CB PHE A 29 4.063 -3.342 -0.885 1.00 0.00 C ATOM 439 CG PHE A 29 3.471 -2.452 -1.973 1.00 0.00 C ATOM 440 CD1 PHE A 29 2.076 -2.264 -2.083 1.00 0.00 C ATOM 441 CD2 PHE A 29 4.311 -1.850 -2.925 1.00 0.00 C ATOM 442 CE1 PHE A 29 1.527 -1.419 -3.062 1.00 0.00 C ATOM 443 CE2 PHE A 29 3.744 -1.103 -3.976 1.00 0.00 C ATOM 444 CZ PHE A 29 2.358 -0.838 -4.028 1.00 0.00 C ATOM 0 H PHE A 29 5.305 -2.259 1.000 1.00 0.00 H new ATOM 0 HA PHE A 29 2.511 -2.644 0.339 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.139 -3.171 -0.841 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.917 -4.384 -1.169 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.417 -2.780 -1.400 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.383 -1.959 -2.851 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.466 -1.218 -3.070 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.384 -0.724 -4.760 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.947 -0.200 -4.797 1.00 0.00 H new ATOM 454 N VAL A 30 2.180 -4.469 2.082 1.00 0.00 N ATOM 455 CA VAL A 30 1.743 -5.700 2.724 1.00 0.00 C ATOM 456 C VAL A 30 0.969 -6.509 1.678 1.00 0.00 C ATOM 457 O VAL A 30 0.361 -5.928 0.778 1.00 0.00 O ATOM 458 CB VAL A 30 0.890 -5.360 3.963 1.00 0.00 C ATOM 459 CG1 VAL A 30 0.724 -6.609 4.832 1.00 0.00 C ATOM 460 CG2 VAL A 30 1.563 -4.255 4.798 1.00 0.00 C ATOM 0 H VAL A 30 1.598 -3.659 2.295 1.00 0.00 H new ATOM 0 HA VAL A 30 2.583 -6.297 3.079 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.084 -5.008 3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.121 -6.366 5.707 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.229 -7.390 4.255 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.704 -6.961 5.153 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.946 -4.029 5.668 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.545 -4.595 5.128 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.676 -3.357 4.190 1.00 0.00 H new ATOM 470 N LYS A 31 1.008 -7.837 1.751 1.00 0.00 N ATOM 471 CA LYS A 31 0.275 -8.676 0.812 1.00 0.00 C ATOM 472 C LYS A 31 -1.051 -9.094 1.457 1.00 0.00 C ATOM 473 O LYS A 31 -1.462 -8.535 2.477 1.00 0.00 O ATOM 474 CB LYS A 31 1.176 -9.835 0.361 1.00 0.00 C ATOM 475 CG LYS A 31 2.449 -9.264 -0.291 1.00 0.00 C ATOM 476 CD LYS A 31 3.164 -10.260 -1.198 1.00 0.00 C ATOM 477 CE LYS A 31 2.412 -10.335 -2.530 1.00 0.00 C ATOM 478 NZ LYS A 31 3.093 -11.177 -3.527 1.00 0.00 N ATOM 0 H LYS A 31 1.540 -8.354 2.451 1.00 0.00 H new ATOM 0 HA LYS A 31 0.009 -8.142 -0.100 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.439 -10.460 1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.644 -10.470 -0.347 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.186 -8.380 -0.871 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.135 -8.939 0.492 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.195 -9.949 -1.363 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.199 -11.243 -0.727 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.410 -10.727 -2.354 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.294 -9.329 -2.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.539 -11.190 -4.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.039 -10.791 -3.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.183 -12.146 -3.160 1.00 0.00 H new ATOM 492 N VAL A 32 -1.745 -10.064 0.857 1.00 0.00 N ATOM 493 CA VAL A 32 -2.833 -10.784 1.496 1.00 0.00 C ATOM 494 C VAL A 32 -2.770 -12.225 0.991 1.00 0.00 C ATOM 495 O VAL A 32 -2.619 -12.465 -0.215 1.00 0.00 O ATOM 496 CB VAL A 32 -4.212 -10.127 1.230 1.00 0.00 C ATOM 497 CG1 VAL A 32 -5.319 -10.737 2.106 1.00 0.00 C ATOM 498 CG2 VAL A 32 -4.285 -8.616 1.505 1.00 0.00 C ATOM 0 H VAL A 32 -1.560 -10.370 -0.098 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.719 -10.757 2.580 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.353 -10.315 0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.268 -10.247 1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.404 -11.803 1.895 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.071 -10.594 3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.290 -8.255 1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.049 -8.425 2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.568 -8.096 0.870 1.00 0.00 H new ATOM 508 N LYS A 33 -2.935 -13.179 1.907 1.00 0.00 N ATOM 509 CA LYS A 33 -3.173 -14.599 1.646 1.00 0.00 C ATOM 510 C LYS A 33 -4.663 -14.747 1.297 1.00 0.00 C ATOM 511 O LYS A 33 -5.209 -13.933 0.562 1.00 0.00 O ATOM 512 CB LYS A 33 -2.717 -15.409 2.887 1.00 0.00 C ATOM 513 CG LYS A 33 -2.579 -16.940 2.759 1.00 0.00 C ATOM 514 CD LYS A 33 -1.747 -17.479 1.583 1.00 0.00 C ATOM 515 CE LYS A 33 -2.540 -17.562 0.270 1.00 0.00 C ATOM 516 NZ LYS A 33 -2.050 -18.653 -0.592 1.00 0.00 N ATOM 0 H LYS A 33 -2.905 -12.971 2.905 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.600 -14.992 0.806 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.751 -15.015 3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.423 -15.206 3.692 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -2.140 -17.317 3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.581 -17.364 2.685 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.879 -16.837 1.436 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.371 -18.470 1.836 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.596 -17.719 0.491 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.463 -16.614 -0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.608 -18.680 -1.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.049 -18.490 -0.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.147 -19.560 -0.093 1.00 0.00 H new ATOM 530 N ASN A 34 -5.342 -15.790 1.784 1.00 0.00 N ATOM 531 CA ASN A 34 -6.788 -15.891 1.626 1.00 0.00 C ATOM 532 C ASN A 34 -7.456 -14.682 2.281 1.00 0.00 C ATOM 533 O ASN A 34 -8.216 -13.968 1.627 1.00 0.00 O ATOM 534 CB ASN A 34 -7.304 -17.206 2.217 1.00 0.00 C ATOM 535 CG ASN A 34 -8.766 -17.381 1.849 1.00 0.00 C ATOM 536 OD1 ASN A 34 -9.635 -16.683 2.359 1.00 0.00 O ATOM 537 ND2 ASN A 34 -9.054 -18.289 0.938 1.00 0.00 N ATOM 0 H ASN A 34 -4.914 -16.568 2.286 1.00 0.00 H new ATOM 0 HA ASN A 34 -7.038 -15.893 0.565 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -6.719 -18.043 1.837 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.188 -17.201 3.301 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.020 -18.425 0.641 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.311 -18.856 0.530 1.00 0.00 H new ATOM 544 N ASN A 35 -7.159 -14.429 3.562 1.00 0.00 N ATOM 545 CA ASN A 35 -7.749 -13.339 4.348 1.00 0.00 C ATOM 546 C ASN A 35 -6.804 -12.814 5.433 1.00 0.00 C ATOM 547 O ASN A 35 -7.230 -12.069 6.313 1.00 0.00 O ATOM 548 CB ASN A 35 -9.063 -13.839 4.975 1.00 0.00 C ATOM 549 CG ASN A 35 -10.260 -13.043 4.488 1.00 0.00 C ATOM 550 OD1 ASN A 35 -11.025 -12.501 5.271 1.00 0.00 O ATOM 551 ND2 ASN A 35 -10.476 -12.966 3.187 1.00 0.00 N ATOM 0 H ASN A 35 -6.489 -14.987 4.091 1.00 0.00 H new ATOM 0 HA ASN A 35 -7.940 -12.501 3.677 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.204 -14.892 4.732 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.997 -13.769 6.061 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.284 -12.453 2.834 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.835 -13.420 2.536 1.00 0.00 H new ATOM 558 N ALA A 36 -5.531 -13.208 5.397 1.00 0.00 N ATOM 559 CA ALA A 36 -4.498 -12.805 6.340 1.00 0.00 C ATOM 560 C ALA A 36 -3.449 -11.989 5.591 1.00 0.00 C ATOM 561 O ALA A 36 -3.450 -12.011 4.364 1.00 0.00 O ATOM 562 CB ALA A 36 -3.837 -14.068 6.921 1.00 0.00 C ATOM 0 H ALA A 36 -5.181 -13.843 4.679 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.929 -12.210 7.145 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.061 -13.779 7.629 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.589 -14.670 7.432 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.393 -14.650 6.114 1.00 0.00 H new ATOM 568 N ILE A 37 -2.502 -11.371 6.294 1.00 0.00 N ATOM 569 CA ILE A 37 -1.457 -10.496 5.761 1.00 0.00 C ATOM 570 C ILE A 37 -0.611 -11.177 4.682 1.00 0.00 C ATOM 571 O ILE A 37 -0.048 -10.493 3.838 1.00 0.00 O ATOM 572 CB ILE A 37 -0.626 -9.952 6.966 1.00 0.00 C ATOM 573 CG1 ILE A 37 -1.146 -8.568 7.412 1.00 0.00 C ATOM 574 CG2 ILE A 37 0.895 -9.842 6.724 1.00 0.00 C ATOM 575 CD1 ILE A 37 -2.537 -8.559 8.053 1.00 0.00 C ATOM 0 H ILE A 37 -2.439 -11.472 7.307 1.00 0.00 H new ATOM 0 HA ILE A 37 -1.907 -9.653 5.237 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.767 -10.704 7.743 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.436 -8.144 8.122 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.161 -7.909 6.544 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.379 -9.455 7.621 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.298 -10.827 6.491 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.083 -9.166 5.890 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.804 -7.539 8.328 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.267 -8.946 7.343 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.531 -9.186 8.945 1.00 0.00 H new ATOM 587 N ALA A 38 -0.555 -12.512 4.643 1.00 0.00 N ATOM 588 CA ALA A 38 0.453 -13.308 3.947 1.00 0.00 C ATOM 589 C ALA A 38 1.874 -12.925 4.362 1.00 0.00 C ATOM 590 O ALA A 38 2.570 -13.744 4.960 1.00 0.00 O ATOM 591 CB ALA A 38 0.315 -13.236 2.416 1.00 0.00 C ATOM 0 H ALA A 38 -1.246 -13.092 5.120 1.00 0.00 H new ATOM 0 HA ALA A 38 0.270 -14.339 4.249 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.090 -13.846 1.952 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.666 -13.609 2.121 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.423 -12.202 2.089 1.00 0.00 H new ATOM 597 N ASP A 39 2.332 -11.750 3.952 1.00 0.00 N ATOM 598 CA ASP A 39 3.724 -11.386 3.779 1.00 0.00 C ATOM 599 C ASP A 39 3.854 -9.864 3.808 1.00 0.00 C ATOM 600 O ASP A 39 2.871 -9.144 3.613 1.00 0.00 O ATOM 601 CB ASP A 39 4.188 -11.936 2.422 1.00 0.00 C ATOM 602 CG ASP A 39 5.705 -11.991 2.268 1.00 0.00 C ATOM 603 OD1 ASP A 39 6.417 -11.870 3.288 1.00 0.00 O ATOM 604 OD2 ASP A 39 6.145 -12.264 1.126 1.00 0.00 O ATOM 0 H ASP A 39 1.701 -10.983 3.719 1.00 0.00 H new ATOM 0 HA ASP A 39 4.339 -11.801 4.578 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.782 -12.939 2.288 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.773 -11.315 1.628 1.00 0.00 H new ATOM 609 N ILE A 40 5.065 -9.375 4.031 1.00 0.00 N ATOM 610 CA ILE A 40 5.397 -7.975 4.240 1.00 0.00 C ATOM 611 C ILE A 40 6.503 -7.661 3.229 1.00 0.00 C ATOM 612 O ILE A 40 7.521 -8.354 3.196 1.00 0.00 O ATOM 613 CB ILE A 40 5.832 -7.778 5.722 1.00 0.00 C ATOM 614 CG1 ILE A 40 4.651 -7.819 6.736 1.00 0.00 C ATOM 615 CG2 ILE A 40 6.693 -6.518 5.887 1.00 0.00 C ATOM 616 CD1 ILE A 40 3.943 -6.495 7.077 1.00 0.00 C ATOM 0 H ILE A 40 5.887 -9.978 4.073 1.00 0.00 H new ATOM 0 HA ILE A 40 4.562 -7.293 4.080 1.00 0.00 H new ATOM 0 HB ILE A 40 6.449 -8.642 5.972 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.901 -8.508 6.347 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.025 -8.247 7.666 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.981 -6.408 6.933 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.588 -6.606 5.272 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.122 -5.644 5.574 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.144 -6.684 7.794 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.662 -5.799 7.509 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.521 -6.064 6.169 1.00 0.00 H new ATOM 628 N SER A 41 6.334 -6.632 2.401 1.00 0.00 N ATOM 629 CA SER A 41 7.376 -5.985 1.641 1.00 0.00 C ATOM 630 C SER A 41 7.504 -4.582 2.225 1.00 0.00 C ATOM 631 O SER A 41 6.711 -3.706 1.899 1.00 0.00 O ATOM 632 CB SER A 41 6.960 -5.996 0.170 1.00 0.00 C ATOM 633 OG SER A 41 6.776 -7.328 -0.293 1.00 0.00 O ATOM 0 H SER A 41 5.417 -6.214 2.241 1.00 0.00 H new ATOM 0 HA SER A 41 8.346 -6.480 1.697 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.036 -5.432 0.045 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.721 -5.499 -0.432 1.00 0.00 H new ATOM 0 HG SER A 41 6.508 -7.313 -1.236 1.00 0.00 H new ATOM 639 N VAL A 42 8.431 -4.386 3.165 1.00 0.00 N ATOM 640 CA VAL A 42 8.761 -3.065 3.685 1.00 0.00 C ATOM 641 C VAL A 42 9.907 -2.565 2.809 1.00 0.00 C ATOM 642 O VAL A 42 11.078 -2.869 3.028 1.00 0.00 O ATOM 643 CB VAL A 42 8.981 -3.093 5.214 1.00 0.00 C ATOM 644 CG1 VAL A 42 9.933 -4.180 5.730 1.00 0.00 C ATOM 645 CG2 VAL A 42 9.383 -1.718 5.766 1.00 0.00 C ATOM 0 H VAL A 42 8.972 -5.142 3.585 1.00 0.00 H new ATOM 0 HA VAL A 42 7.951 -2.339 3.613 1.00 0.00 H new ATOM 0 HB VAL A 42 8.000 -3.365 5.603 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.014 -4.108 6.815 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.545 -5.162 5.460 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.918 -4.044 5.283 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.527 -1.787 6.844 1.00 0.00 H new ATOM 0 HG22 VAL A 42 10.312 -1.395 5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.596 -0.995 5.550 1.00 0.00 H new ATOM 655 N GLU A 43 9.527 -1.907 1.720 1.00 0.00 N ATOM 656 CA GLU A 43 10.409 -1.523 0.634 1.00 0.00 C ATOM 657 C GLU A 43 10.843 -0.069 0.814 1.00 0.00 C ATOM 658 O GLU A 43 10.048 0.804 1.171 1.00 0.00 O ATOM 659 CB GLU A 43 9.701 -1.785 -0.709 1.00 0.00 C ATOM 660 CG GLU A 43 9.637 -3.307 -0.936 1.00 0.00 C ATOM 661 CD GLU A 43 8.804 -3.765 -2.134 1.00 0.00 C ATOM 662 OE1 GLU A 43 7.768 -3.155 -2.481 1.00 0.00 O ATOM 663 OE2 GLU A 43 9.128 -4.840 -2.695 1.00 0.00 O ATOM 0 H GLU A 43 8.561 -1.618 1.567 1.00 0.00 H new ATOM 0 HA GLU A 43 11.319 -2.123 0.640 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.697 -1.361 -0.698 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.242 -1.303 -1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.654 -3.680 -1.060 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.234 -3.773 -0.037 1.00 0.00 H new ATOM 670 N GLU A 44 12.130 0.184 0.599 1.00 0.00 N ATOM 671 CA GLU A 44 12.730 1.511 0.668 1.00 0.00 C ATOM 672 C GLU A 44 12.346 2.275 -0.596 1.00 0.00 C ATOM 673 O GLU A 44 12.297 1.669 -1.669 1.00 0.00 O ATOM 674 CB GLU A 44 14.259 1.379 0.787 1.00 0.00 C ATOM 675 CG GLU A 44 14.654 0.498 1.989 1.00 0.00 C ATOM 676 CD GLU A 44 15.796 1.018 2.864 1.00 0.00 C ATOM 677 OE1 GLU A 44 15.902 2.248 3.085 1.00 0.00 O ATOM 678 OE2 GLU A 44 16.470 0.158 3.473 1.00 0.00 O ATOM 0 H GLU A 44 12.802 -0.547 0.366 1.00 0.00 H new ATOM 0 HA GLU A 44 12.369 2.053 1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 44 14.661 0.948 -0.130 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.704 2.368 0.897 1.00 0.00 H new ATOM 0 HG2 GLU A 44 13.774 0.364 2.619 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.931 -0.487 1.615 1.00 0.00 H new ATOM 685 N ASN A 45 12.103 3.587 -0.494 1.00 0.00 N ATOM 686 CA ASN A 45 11.646 4.384 -1.635 1.00 0.00 C ATOM 687 C ASN A 45 12.829 4.734 -2.540 1.00 0.00 C ATOM 688 O ASN A 45 13.701 5.486 -2.097 1.00 0.00 O ATOM 689 CB ASN A 45 10.990 5.701 -1.197 1.00 0.00 C ATOM 690 CG ASN A 45 9.509 5.704 -1.442 1.00 0.00 C ATOM 691 OD1 ASN A 45 9.054 6.202 -2.468 1.00 0.00 O ATOM 692 ND2 ASN A 45 8.758 5.123 -0.521 1.00 0.00 N ATOM 0 H ASN A 45 12.216 4.119 0.369 1.00 0.00 H new ATOM 0 HA ASN A 45 10.911 3.777 -2.163 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.182 5.866 -0.137 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.448 6.530 -1.736 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.747 5.073 -0.645 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.190 4.725 0.313 1.00 0.00 H new ATOM 699 N PRO A 46 12.862 4.267 -3.801 1.00 0.00 N ATOM 700 CA PRO A 46 13.965 4.564 -4.700 1.00 0.00 C ATOM 701 C PRO A 46 13.985 6.040 -5.132 1.00 0.00 C ATOM 702 O PRO A 46 15.043 6.555 -5.499 1.00 0.00 O ATOM 703 CB PRO A 46 13.800 3.571 -5.860 1.00 0.00 C ATOM 704 CG PRO A 46 12.316 3.209 -5.878 1.00 0.00 C ATOM 705 CD PRO A 46 11.888 3.380 -4.426 1.00 0.00 C ATOM 0 HA PRO A 46 14.938 4.440 -4.224 1.00 0.00 H new ATOM 0 HB2 PRO A 46 14.107 4.018 -6.806 1.00 0.00 H new ATOM 0 HB3 PRO A 46 14.418 2.686 -5.710 1.00 0.00 H new ATOM 0 HG2 PRO A 46 11.752 3.864 -6.542 1.00 0.00 H new ATOM 0 HG3 PRO A 46 12.156 2.188 -6.225 1.00 0.00 H new ATOM 0 HD2 PRO A 46 10.885 3.803 -4.366 1.00 0.00 H new ATOM 0 HD3 PRO A 46 11.859 2.417 -3.916 1.00 0.00 H new ATOM 713 N LEU A 47 12.847 6.745 -5.073 1.00 0.00 N ATOM 714 CA LEU A 47 12.713 8.146 -5.492 1.00 0.00 C ATOM 715 C LEU A 47 12.164 8.980 -4.318 1.00 0.00 C ATOM 716 O LEU A 47 11.313 9.853 -4.521 1.00 0.00 O ATOM 717 CB LEU A 47 11.775 8.262 -6.718 1.00 0.00 C ATOM 718 CG LEU A 47 12.119 7.662 -8.095 1.00 0.00 C ATOM 719 CD1 LEU A 47 13.497 8.089 -8.577 1.00 0.00 C ATOM 720 CD2 LEU A 47 11.964 6.146 -8.177 1.00 0.00 C ATOM 0 H LEU A 47 11.975 6.348 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 47 13.693 8.526 -5.779 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.821 7.827 -6.420 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.604 9.327 -6.878 1.00 0.00 H new ATOM 0 HG LEU A 47 11.370 8.078 -8.769 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.696 7.642 -9.551 1.00 0.00 H new ATOM 0 HD12 LEU A 47 13.532 9.175 -8.662 1.00 0.00 H new ATOM 0 HD13 LEU A 47 14.251 7.756 -7.864 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.226 5.807 -9.179 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.624 5.673 -7.450 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.931 5.874 -7.960 1.00 0.00 H new ATOM 732 N ALA A 48 12.621 8.713 -3.092 1.00 0.00 N ATOM 733 CA ALA A 48 12.182 9.424 -1.896 1.00 0.00 C ATOM 734 C ALA A 48 12.403 10.932 -2.051 1.00 0.00 C ATOM 735 O ALA A 48 11.506 11.734 -1.780 1.00 0.00 O ATOM 736 CB ALA A 48 12.951 8.908 -0.670 1.00 0.00 C ATOM 0 H ALA A 48 13.314 7.989 -2.903 1.00 0.00 H new ATOM 0 HA ALA A 48 11.116 9.242 -1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.619 9.443 0.220 1.00 0.00 H new ATOM 0 HB2 ALA A 48 12.762 7.842 -0.544 1.00 0.00 H new ATOM 0 HB3 ALA A 48 14.019 9.073 -0.814 1.00 0.00 H new ATOM 742 N GLN A 49 13.595 11.317 -2.510 1.00 0.00 N ATOM 743 CA GLN A 49 14.063 12.701 -2.536 1.00 0.00 C ATOM 744 C GLN A 49 14.871 13.015 -3.798 1.00 0.00 C ATOM 745 O GLN A 49 15.638 13.983 -3.812 1.00 0.00 O ATOM 746 CB GLN A 49 14.793 13.091 -1.245 1.00 0.00 C ATOM 747 CG GLN A 49 16.163 12.436 -1.009 1.00 0.00 C ATOM 748 CD GLN A 49 17.048 13.322 -0.130 1.00 0.00 C ATOM 749 OE1 GLN A 49 16.572 14.206 0.587 1.00 0.00 O ATOM 750 NE2 GLN A 49 18.353 13.122 -0.189 1.00 0.00 N ATOM 0 H GLN A 49 14.278 10.657 -2.883 1.00 0.00 H new ATOM 0 HA GLN A 49 13.177 13.334 -2.582 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.927 14.173 -1.242 1.00 0.00 H new ATOM 0 HB3 GLN A 49 14.148 12.847 -0.401 1.00 0.00 H new ATOM 0 HG2 GLN A 49 16.029 11.464 -0.534 1.00 0.00 H new ATOM 0 HG3 GLN A 49 16.655 12.258 -1.965 1.00 0.00 H new ATOM 0 HE21 GLN A 49 18.730 12.387 -0.787 1.00 0.00 H new ATOM 0 HE22 GLN A 49 18.983 13.703 0.364 1.00 0.00 H new ATOM 759 N ASP A 50 14.756 12.212 -4.862 1.00 0.00 N ATOM 760 CA ASP A 50 15.378 12.535 -6.145 1.00 0.00 C ATOM 761 C ASP A 50 14.542 13.609 -6.837 1.00 0.00 C ATOM 762 O ASP A 50 13.827 13.349 -7.806 1.00 0.00 O ATOM 763 CB ASP A 50 15.595 11.303 -7.034 1.00 0.00 C ATOM 764 CG ASP A 50 16.335 11.645 -8.340 1.00 0.00 C ATOM 765 OD1 ASP A 50 16.669 12.832 -8.600 1.00 0.00 O ATOM 766 OD2 ASP A 50 16.615 10.698 -9.109 1.00 0.00 O ATOM 0 H ASP A 50 14.237 11.334 -4.857 1.00 0.00 H new ATOM 0 HA ASP A 50 16.380 12.921 -5.958 1.00 0.00 H new ATOM 0 HB2 ASP A 50 16.165 10.556 -6.482 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.630 10.856 -7.273 1.00 0.00 H new ATOM 771 N HIS A 51 14.645 14.841 -6.329 1.00 0.00 N ATOM 772 CA HIS A 51 14.154 16.063 -6.955 1.00 0.00 C ATOM 773 C HIS A 51 12.666 15.966 -7.341 1.00 0.00 C ATOM 774 O HIS A 51 12.257 16.562 -8.340 1.00 0.00 O ATOM 775 CB HIS A 51 15.110 16.395 -8.124 1.00 0.00 C ATOM 776 CG HIS A 51 15.717 17.771 -8.065 1.00 0.00 C ATOM 777 ND1 HIS A 51 15.188 18.910 -8.638 1.00 0.00 N ATOM 778 CD2 HIS A 51 16.913 18.097 -7.483 1.00 0.00 C ATOM 779 CE1 HIS A 51 16.069 19.906 -8.432 1.00 0.00 C ATOM 780 NE2 HIS A 51 17.117 19.443 -7.719 1.00 0.00 N ATOM 0 H HIS A 51 15.094 15.017 -5.430 1.00 0.00 H new ATOM 0 HA HIS A 51 14.167 16.897 -6.253 1.00 0.00 H new ATOM 0 HB2 HIS A 51 15.913 15.658 -8.140 1.00 0.00 H new ATOM 0 HB3 HIS A 51 14.565 16.293 -9.062 1.00 0.00 H new ATOM 0 HD2 HIS A 51 17.570 17.431 -6.944 1.00 0.00 H new ATOM 0 HE1 HIS A 51 15.955 20.921 -8.784 1.00 0.00 H new ATOM 0 HE2 HIS A 51 17.919 19.991 -7.409 1.00 0.00 H new ATOM 789 N VAL A 52 11.871 15.184 -6.601 1.00 0.00 N ATOM 790 CA VAL A 52 10.505 14.767 -6.922 1.00 0.00 C ATOM 791 C VAL A 52 10.307 14.449 -8.413 1.00 0.00 C ATOM 792 O VAL A 52 9.309 14.839 -9.028 1.00 0.00 O ATOM 793 CB VAL A 52 9.458 15.714 -6.286 1.00 0.00 C ATOM 794 CG1 VAL A 52 9.480 15.575 -4.752 1.00 0.00 C ATOM 795 CG2 VAL A 52 9.622 17.196 -6.663 1.00 0.00 C ATOM 0 H VAL A 52 12.185 14.804 -5.708 1.00 0.00 H new ATOM 0 HA VAL A 52 10.326 13.803 -6.447 1.00 0.00 H new ATOM 0 HB VAL A 52 8.498 15.399 -6.695 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.740 16.245 -4.315 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.246 14.547 -4.476 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.470 15.834 -4.377 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.846 17.784 -6.173 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.602 17.547 -6.340 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.534 17.308 -7.744 1.00 0.00 H new ATOM 805 N HIS A 53 11.251 13.704 -9.001 1.00 0.00 N ATOM 806 CA HIS A 53 11.118 13.191 -10.360 1.00 0.00 C ATOM 807 C HIS A 53 9.900 12.259 -10.437 1.00 0.00 C ATOM 808 O HIS A 53 9.407 11.758 -9.416 1.00 0.00 O ATOM 809 CB HIS A 53 12.432 12.514 -10.797 1.00 0.00 C ATOM 810 CG HIS A 53 12.756 12.710 -12.259 1.00 0.00 C ATOM 811 ND1 HIS A 53 12.883 11.716 -13.211 1.00 0.00 N ATOM 812 CD2 HIS A 53 13.122 13.897 -12.836 1.00 0.00 C ATOM 813 CE1 HIS A 53 13.333 12.295 -14.339 1.00 0.00 C ATOM 814 NE2 HIS A 53 13.485 13.618 -14.140 1.00 0.00 N ATOM 0 H HIS A 53 12.125 13.443 -8.545 1.00 0.00 H new ATOM 0 HA HIS A 53 10.941 14.006 -11.062 1.00 0.00 H new ATOM 0 HB2 HIS A 53 13.251 12.908 -10.196 1.00 0.00 H new ATOM 0 HB3 HIS A 53 12.368 11.446 -10.588 1.00 0.00 H new ATOM 0 HD2 HIS A 53 13.126 14.867 -12.362 1.00 0.00 H new ATOM 0 HE1 HIS A 53 13.541 11.777 -15.264 1.00 0.00 H new ATOM 0 HE2 HIS A 53 13.811 14.295 -14.830 1.00 0.00 H new ATOM 823 N GLY A 54 9.405 12.004 -11.648 1.00 0.00 N ATOM 824 CA GLY A 54 8.068 11.452 -11.829 1.00 0.00 C ATOM 825 C GLY A 54 7.878 10.049 -11.263 1.00 0.00 C ATOM 826 O GLY A 54 6.759 9.708 -10.894 1.00 0.00 O ATOM 0 H GLY A 54 9.912 12.172 -12.517 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.347 12.120 -11.358 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.838 11.434 -12.894 1.00 0.00 H new ATOM 830 N ALA A 55 8.923 9.222 -11.214 1.00 0.00 N ATOM 831 CA ALA A 55 8.798 7.769 -11.185 1.00 0.00 C ATOM 832 C ALA A 55 8.416 7.127 -9.844 1.00 0.00 C ATOM 833 O ALA A 55 8.246 5.910 -9.826 1.00 0.00 O ATOM 834 CB ALA A 55 10.097 7.153 -11.694 1.00 0.00 C ATOM 0 H ALA A 55 9.889 9.548 -11.193 1.00 0.00 H new ATOM 0 HA ALA A 55 7.945 7.554 -11.829 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.015 6.066 -11.677 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.283 7.487 -12.715 1.00 0.00 H new ATOM 0 HB3 ALA A 55 10.923 7.465 -11.054 1.00 0.00 H new ATOM 840 N VAL A 56 8.245 7.878 -8.748 1.00 0.00 N ATOM 841 CA VAL A 56 7.826 7.322 -7.444 1.00 0.00 C ATOM 842 C VAL A 56 6.688 6.290 -7.609 1.00 0.00 C ATOM 843 O VAL A 56 6.816 5.171 -7.104 1.00 0.00 O ATOM 844 CB VAL A 56 7.394 8.462 -6.478 1.00 0.00 C ATOM 845 CG1 VAL A 56 6.275 8.184 -5.466 1.00 0.00 C ATOM 846 CG2 VAL A 56 8.576 8.971 -5.677 1.00 0.00 C ATOM 0 H VAL A 56 8.392 8.887 -8.735 1.00 0.00 H new ATOM 0 HA VAL A 56 8.683 6.805 -7.013 1.00 0.00 H new ATOM 0 HB VAL A 56 6.985 9.183 -7.185 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.094 9.078 -4.869 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.363 7.912 -5.997 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.572 7.365 -4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.247 9.767 -5.009 1.00 0.00 H new ATOM 0 HG22 VAL A 56 8.996 8.155 -5.089 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.336 9.357 -6.356 1.00 0.00 H new ATOM 856 N PRO A 57 5.563 6.633 -8.272 1.00 0.00 N ATOM 857 CA PRO A 57 4.421 5.740 -8.410 1.00 0.00 C ATOM 858 C PRO A 57 4.683 4.651 -9.455 1.00 0.00 C ATOM 859 O PRO A 57 4.144 3.554 -9.342 1.00 0.00 O ATOM 860 CB PRO A 57 3.281 6.639 -8.891 1.00 0.00 C ATOM 861 CG PRO A 57 3.804 8.066 -8.948 1.00 0.00 C ATOM 862 CD PRO A 57 5.302 7.858 -9.018 1.00 0.00 C ATOM 0 HA PRO A 57 4.203 5.230 -7.472 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.933 6.321 -9.874 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.430 6.571 -8.214 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.427 8.603 -9.818 1.00 0.00 H new ATOM 0 HG3 PRO A 57 3.514 8.641 -8.069 1.00 0.00 H new ATOM 0 HD2 PRO A 57 5.637 7.767 -10.051 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.836 8.703 -8.583 1.00 0.00 H new ATOM 870 N ASN A 58 5.478 4.954 -10.485 1.00 0.00 N ATOM 871 CA ASN A 58 5.798 4.010 -11.545 1.00 0.00 C ATOM 872 C ASN A 58 6.549 2.820 -10.959 1.00 0.00 C ATOM 873 O ASN A 58 6.201 1.685 -11.273 1.00 0.00 O ATOM 874 CB ASN A 58 6.611 4.698 -12.646 1.00 0.00 C ATOM 875 CG ASN A 58 7.036 3.726 -13.734 1.00 0.00 C ATOM 876 OD1 ASN A 58 8.215 3.645 -14.067 1.00 0.00 O ATOM 877 ND2 ASN A 58 6.104 3.021 -14.346 1.00 0.00 N ATOM 0 H ASN A 58 5.917 5.867 -10.602 1.00 0.00 H new ATOM 0 HA ASN A 58 4.876 3.646 -11.998 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.018 5.499 -13.087 1.00 0.00 H new ATOM 0 HB3 ASN A 58 7.495 5.161 -12.208 1.00 0.00 H new ATOM 0 HD21 ASN A 58 6.358 2.395 -15.110 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.130 3.102 -14.055 1.00 0.00 H new ATOM 884 N PHE A 59 7.487 3.075 -10.035 1.00 0.00 N ATOM 885 CA PHE A 59 8.134 2.045 -9.232 1.00 0.00 C ATOM 886 C PHE A 59 7.071 1.138 -8.602 1.00 0.00 C ATOM 887 O PHE A 59 6.939 -0.006 -9.010 1.00 0.00 O ATOM 888 CB PHE A 59 9.089 2.682 -8.206 1.00 0.00 C ATOM 889 CG PHE A 59 9.322 1.823 -6.979 1.00 0.00 C ATOM 890 CD1 PHE A 59 9.964 0.578 -7.103 1.00 0.00 C ATOM 891 CD2 PHE A 59 8.819 2.230 -5.727 1.00 0.00 C ATOM 892 CE1 PHE A 59 10.084 -0.262 -5.984 1.00 0.00 C ATOM 893 CE2 PHE A 59 8.932 1.373 -4.617 1.00 0.00 C ATOM 894 CZ PHE A 59 9.549 0.120 -4.746 1.00 0.00 C ATOM 0 H PHE A 59 7.817 4.017 -9.827 1.00 0.00 H new ATOM 0 HA PHE A 59 8.755 1.410 -9.864 1.00 0.00 H new ATOM 0 HB2 PHE A 59 10.047 2.880 -8.688 1.00 0.00 H new ATOM 0 HB3 PHE A 59 8.684 3.645 -7.894 1.00 0.00 H new ATOM 0 HD1 PHE A 59 10.364 0.268 -8.057 1.00 0.00 H new ATOM 0 HD2 PHE A 59 8.349 3.196 -5.620 1.00 0.00 H new ATOM 0 HE1 PHE A 59 10.593 -1.210 -6.078 1.00 0.00 H new ATOM 0 HE2 PHE A 59 8.541 1.682 -3.659 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.611 -0.546 -3.898 1.00 0.00 H new ATOM 904 N VAL A 60 6.234 1.630 -7.685 1.00 0.00 N ATOM 905 CA VAL A 60 5.195 0.818 -7.023 1.00 0.00 C ATOM 906 C VAL A 60 4.139 0.199 -7.961 1.00 0.00 C ATOM 907 O VAL A 60 3.283 -0.585 -7.533 1.00 0.00 O ATOM 908 CB VAL A 60 4.519 1.635 -5.905 1.00 0.00 C ATOM 909 CG1 VAL A 60 5.427 1.802 -4.678 1.00 0.00 C ATOM 910 CG2 VAL A 60 4.039 3.004 -6.322 1.00 0.00 C ATOM 0 H VAL A 60 6.253 2.602 -7.377 1.00 0.00 H new ATOM 0 HA VAL A 60 5.724 -0.039 -6.605 1.00 0.00 H new ATOM 0 HB VAL A 60 3.642 1.037 -5.655 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.907 2.384 -3.917 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.678 0.821 -4.275 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.341 2.319 -4.969 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.578 3.503 -5.470 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.885 3.594 -6.674 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.307 2.904 -7.124 1.00 0.00 H new ATOM 920 N LYS A 61 4.164 0.534 -9.246 1.00 0.00 N ATOM 921 CA LYS A 61 3.291 -0.029 -10.264 1.00 0.00 C ATOM 922 C LYS A 61 3.955 -1.142 -11.042 1.00 0.00 C ATOM 923 O LYS A 61 3.231 -2.022 -11.503 1.00 0.00 O ATOM 924 CB LYS A 61 2.710 1.093 -11.127 1.00 0.00 C ATOM 925 CG LYS A 61 1.340 1.556 -10.607 1.00 0.00 C ATOM 926 CD LYS A 61 1.160 1.839 -9.107 1.00 0.00 C ATOM 927 CE LYS A 61 0.169 0.881 -8.411 1.00 0.00 C ATOM 928 NZ LYS A 61 0.514 -0.560 -8.465 1.00 0.00 N ATOM 0 H LYS A 61 4.814 1.227 -9.618 1.00 0.00 H new ATOM 0 HA LYS A 61 2.447 -0.520 -9.780 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.399 1.937 -11.139 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.611 0.747 -12.156 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.076 2.466 -11.146 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.610 0.797 -10.887 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.129 1.767 -8.613 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.812 2.864 -8.978 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.083 1.175 -7.365 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.814 1.016 -8.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.179 -1.104 -7.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.499 -0.884 -9.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.464 -0.705 -8.068 1.00 0.00 H new ATOM 942 N GLU A 62 5.280 -1.225 -11.042 1.00 0.00 N ATOM 943 CA GLU A 62 5.950 -2.479 -11.363 1.00 0.00 C ATOM 944 C GLU A 62 5.626 -3.554 -10.313 1.00 0.00 C ATOM 945 O GLU A 62 5.691 -4.740 -10.626 1.00 0.00 O ATOM 946 CB GLU A 62 7.472 -2.286 -11.544 1.00 0.00 C ATOM 947 CG GLU A 62 8.311 -2.631 -10.303 1.00 0.00 C ATOM 948 CD GLU A 62 9.791 -2.297 -10.446 1.00 0.00 C ATOM 949 OE1 GLU A 62 10.161 -1.118 -10.641 1.00 0.00 O ATOM 950 OE2 GLU A 62 10.601 -3.239 -10.278 1.00 0.00 O ATOM 0 H GLU A 62 5.906 -0.449 -10.826 1.00 0.00 H new ATOM 0 HA GLU A 62 5.566 -2.828 -12.322 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.807 -2.904 -12.377 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.664 -1.249 -11.820 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.909 -2.094 -9.444 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.208 -3.695 -10.091 1.00 0.00 H new ATOM 957 N LYS A 63 5.277 -3.176 -9.069 1.00 0.00 N ATOM 958 CA LYS A 63 5.251 -4.105 -7.934 1.00 0.00 C ATOM 959 C LYS A 63 3.896 -4.806 -7.840 1.00 0.00 C ATOM 960 O LYS A 63 3.445 -5.127 -6.744 1.00 0.00 O ATOM 961 CB LYS A 63 5.531 -3.349 -6.610 1.00 0.00 C ATOM 962 CG LYS A 63 6.789 -2.472 -6.609 1.00 0.00 C ATOM 963 CD LYS A 63 8.133 -3.184 -6.777 1.00 0.00 C ATOM 964 CE LYS A 63 8.594 -3.798 -5.463 1.00 0.00 C ATOM 965 NZ LYS A 63 8.078 -5.158 -5.229 1.00 0.00 N ATOM 0 H LYS A 63 5.007 -2.222 -8.828 1.00 0.00 H new ATOM 0 HA LYS A 63 6.028 -4.853 -8.094 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.670 -2.721 -6.381 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.617 -4.079 -5.805 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.692 -1.739 -7.410 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.814 -1.917 -5.671 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.044 -3.963 -7.535 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.881 -2.476 -7.134 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.684 -3.825 -5.448 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.280 -3.154 -4.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.499 -5.544 -4.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.044 -5.124 -5.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.327 -5.767 -6.034 1.00 0.00 H new ATOM 979 N GLY A 64 3.285 -5.120 -8.981 1.00 0.00 N ATOM 980 CA GLY A 64 2.007 -5.825 -9.145 1.00 0.00 C ATOM 981 C GLY A 64 0.816 -5.303 -8.318 1.00 0.00 C ATOM 982 O GLY A 64 -0.242 -5.922 -8.299 1.00 0.00 O ATOM 0 H GLY A 64 3.696 -4.873 -9.881 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.731 -5.788 -10.199 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.162 -6.874 -8.893 1.00 0.00 H new ATOM 986 N ALA A 65 0.962 -4.208 -7.575 1.00 0.00 N ATOM 987 CA ALA A 65 0.078 -3.924 -6.461 1.00 0.00 C ATOM 988 C ALA A 65 -1.245 -3.308 -6.901 1.00 0.00 C ATOM 989 O ALA A 65 -1.272 -2.597 -7.909 1.00 0.00 O ATOM 990 CB ALA A 65 0.803 -2.953 -5.558 1.00 0.00 C ATOM 0 H ALA A 65 1.686 -3.506 -7.729 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.165 -4.859 -5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.172 -2.711 -4.703 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.731 -3.405 -5.208 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.030 -2.042 -6.111 1.00 0.00 H new ATOM 996 N GLU A 66 -2.282 -3.408 -6.065 1.00 0.00 N ATOM 997 CA GLU A 66 -3.658 -3.142 -6.450 1.00 0.00 C ATOM 998 C GLU A 66 -4.354 -2.228 -5.461 1.00 0.00 C ATOM 999 O GLU A 66 -5.355 -1.608 -5.828 1.00 0.00 O ATOM 1000 CB GLU A 66 -4.440 -4.447 -6.529 1.00 0.00 C ATOM 1001 CG GLU A 66 -4.325 -5.082 -7.910 1.00 0.00 C ATOM 1002 CD GLU A 66 -5.167 -6.345 -7.931 1.00 0.00 C ATOM 1003 OE1 GLU A 66 -4.814 -7.301 -7.207 1.00 0.00 O ATOM 1004 OE2 GLU A 66 -6.245 -6.354 -8.577 1.00 0.00 O ATOM 0 H GLU A 66 -2.180 -3.681 -5.087 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.629 -2.651 -7.423 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.069 -5.142 -5.776 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.489 -4.259 -6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.667 -4.386 -8.676 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.284 -5.317 -8.134 1.00 0.00 H new ATOM 1011 N LEU A 67 -3.832 -2.134 -4.232 1.00 0.00 N ATOM 1012 CA LEU A 67 -4.479 -1.392 -3.175 1.00 0.00 C ATOM 1013 C LEU A 67 -3.452 -0.527 -2.457 1.00 0.00 C ATOM 1014 O LEU A 67 -2.256 -0.838 -2.441 1.00 0.00 O ATOM 1015 CB LEU A 67 -5.209 -2.396 -2.260 1.00 0.00 C ATOM 1016 CG LEU A 67 -6.321 -1.892 -1.318 1.00 0.00 C ATOM 1017 CD1 LEU A 67 -5.857 -1.086 -0.105 1.00 0.00 C ATOM 1018 CD2 LEU A 67 -7.420 -1.129 -2.056 1.00 0.00 C ATOM 0 H LEU A 67 -2.953 -2.572 -3.956 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.230 -0.702 -3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.645 -3.164 -2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -4.455 -2.885 -1.643 1.00 0.00 H new ATOM 0 HG LEU A 67 -6.727 -2.822 -0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.723 -0.785 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.196 -1.699 0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.320 -0.199 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -8.175 -0.798 -1.343 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -6.988 -0.262 -2.556 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.882 -1.782 -2.797 1.00 0.00 H new ATOM 1030 N VAL A 68 -3.904 0.578 -1.879 1.00 0.00 N ATOM 1031 CA VAL A 68 -3.068 1.577 -1.234 1.00 0.00 C ATOM 1032 C VAL A 68 -3.895 2.175 -0.098 1.00 0.00 C ATOM 1033 O VAL A 68 -5.086 2.419 -0.282 1.00 0.00 O ATOM 1034 CB VAL A 68 -2.647 2.669 -2.244 1.00 0.00 C ATOM 1035 CG1 VAL A 68 -1.363 3.376 -1.792 1.00 0.00 C ATOM 1036 CG2 VAL A 68 -2.389 2.154 -3.668 1.00 0.00 C ATOM 0 H VAL A 68 -4.897 0.810 -1.846 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.151 1.131 -0.850 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.501 3.346 -2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -1.091 4.139 -2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.528 3.845 -0.822 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -0.556 2.648 -1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.099 2.987 -4.309 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.588 1.415 -3.648 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.297 1.694 -4.059 1.00 0.00 H new ATOM 1046 N ILE A 69 -3.284 2.414 1.061 1.00 0.00 N ATOM 1047 CA ILE A 69 -3.897 2.998 2.243 1.00 0.00 C ATOM 1048 C ILE A 69 -2.958 4.125 2.693 1.00 0.00 C ATOM 1049 O ILE A 69 -1.818 3.872 3.076 1.00 0.00 O ATOM 1050 CB ILE A 69 -4.156 1.931 3.329 1.00 0.00 C ATOM 1051 CG1 ILE A 69 -5.033 0.754 2.848 1.00 0.00 C ATOM 1052 CG2 ILE A 69 -4.809 2.611 4.537 1.00 0.00 C ATOM 1053 CD1 ILE A 69 -5.092 -0.411 3.849 1.00 0.00 C ATOM 0 H ILE A 69 -2.299 2.193 1.204 1.00 0.00 H new ATOM 0 HA ILE A 69 -4.885 3.407 2.033 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.192 1.496 3.593 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.044 1.116 2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.647 0.387 1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.998 1.870 5.313 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.142 3.381 4.925 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.751 3.067 4.233 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.724 -1.203 3.448 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.087 -0.798 4.016 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.507 -0.059 4.793 1.00 0.00 H new ATOM 1065 N VAL A 70 -3.387 5.382 2.571 1.00 0.00 N ATOM 1066 CA VAL A 70 -2.546 6.571 2.740 1.00 0.00 C ATOM 1067 C VAL A 70 -3.199 7.600 3.676 1.00 0.00 C ATOM 1068 O VAL A 70 -4.302 7.389 4.188 1.00 0.00 O ATOM 1069 CB VAL A 70 -2.177 7.153 1.352 1.00 0.00 C ATOM 1070 CG1 VAL A 70 -1.549 6.108 0.423 1.00 0.00 C ATOM 1071 CG2 VAL A 70 -3.376 7.728 0.590 1.00 0.00 C ATOM 0 H VAL A 70 -4.356 5.609 2.346 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.616 6.285 3.231 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.468 7.945 1.593 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.310 6.570 -0.535 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.637 5.720 0.876 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.253 5.291 0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.043 8.117 -0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.114 6.943 0.428 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.825 8.533 1.172 1.00 0.00 H new ATOM 1081 N ARG A 71 -2.547 8.746 3.890 1.00 0.00 N ATOM 1082 CA ARG A 71 -3.158 9.914 4.522 1.00 0.00 C ATOM 1083 C ARG A 71 -3.247 11.023 3.470 1.00 0.00 C ATOM 1084 O ARG A 71 -4.076 10.951 2.561 1.00 0.00 O ATOM 1085 CB ARG A 71 -2.349 10.314 5.776 1.00 0.00 C ATOM 1086 CG ARG A 71 -2.212 9.194 6.812 1.00 0.00 C ATOM 1087 CD ARG A 71 -1.939 9.737 8.221 1.00 0.00 C ATOM 1088 NE ARG A 71 -3.172 10.227 8.857 1.00 0.00 N ATOM 1089 CZ ARG A 71 -3.302 11.136 9.823 1.00 0.00 C ATOM 1090 NH1 ARG A 71 -2.289 11.934 10.132 1.00 0.00 N ATOM 1091 NH2 ARG A 71 -4.446 11.200 10.494 1.00 0.00 N ATOM 0 H ARG A 71 -1.572 8.888 3.626 1.00 0.00 H new ATOM 0 HA ARG A 71 -4.168 9.703 4.874 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -1.354 10.633 5.467 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.828 11.173 6.246 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.125 8.599 6.824 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -1.401 8.527 6.518 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.498 8.952 8.836 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.210 10.546 8.166 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.041 9.817 8.514 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.405 11.854 9.630 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.394 12.628 10.872 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.207 10.560 10.267 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -4.564 11.889 11.237 1.00 0.00 H new ATOM 1105 N GLY A 72 -2.327 11.983 3.497 1.00 0.00 N ATOM 1106 CA GLY A 72 -2.357 13.214 2.729 1.00 0.00 C ATOM 1107 C GLY A 72 -1.667 13.077 1.386 1.00 0.00 C ATOM 1108 O GLY A 72 -0.728 13.811 1.053 1.00 0.00 O ATOM 0 H GLY A 72 -1.498 11.915 4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.393 13.516 2.573 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.877 14.007 3.301 1.00 0.00 H new ATOM 1112 N ILE A 73 -2.108 12.105 0.594 1.00 0.00 N ATOM 1113 CA ILE A 73 -1.704 12.002 -0.800 1.00 0.00 C ATOM 1114 C ILE A 73 -2.253 13.222 -1.582 1.00 0.00 C ATOM 1115 O ILE A 73 -3.163 13.893 -1.092 1.00 0.00 O ATOM 1116 CB ILE A 73 -2.222 10.650 -1.352 1.00 0.00 C ATOM 1117 CG1 ILE A 73 -1.652 10.307 -2.739 1.00 0.00 C ATOM 1118 CG2 ILE A 73 -3.764 10.577 -1.413 1.00 0.00 C ATOM 1119 CD1 ILE A 73 -1.688 8.798 -3.013 1.00 0.00 C ATOM 0 H ILE A 73 -2.750 11.373 0.899 1.00 0.00 H new ATOM 0 HA ILE A 73 -0.620 12.018 -0.909 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.863 9.912 -0.635 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.224 10.829 -3.506 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.625 10.665 -2.808 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.067 9.607 -1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.174 10.705 -0.411 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.140 11.367 -2.063 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.277 8.598 -4.002 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.095 8.277 -2.261 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -2.718 8.445 -2.970 1.00 0.00 H new ATOM 1131 N GLY A 74 -1.785 13.465 -2.813 1.00 0.00 N ATOM 1132 CA GLY A 74 -2.326 14.481 -3.719 1.00 0.00 C ATOM 1133 C GLY A 74 -2.551 13.913 -5.125 1.00 0.00 C ATOM 1134 O GLY A 74 -2.055 12.822 -5.440 1.00 0.00 O ATOM 0 H GLY A 74 -1.002 12.948 -3.214 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -3.268 14.860 -3.323 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.640 15.326 -3.772 1.00 0.00 H new ATOM 1138 N ARG A 75 -3.290 14.644 -5.977 1.00 0.00 N ATOM 1139 CA ARG A 75 -3.855 14.157 -7.249 1.00 0.00 C ATOM 1140 C ARG A 75 -2.827 13.489 -8.151 1.00 0.00 C ATOM 1141 O ARG A 75 -3.185 12.511 -8.798 1.00 0.00 O ATOM 1142 CB ARG A 75 -4.590 15.285 -8.010 1.00 0.00 C ATOM 1143 CG ARG A 75 -5.050 14.948 -9.450 1.00 0.00 C ATOM 1144 CD ARG A 75 -6.164 13.890 -9.569 1.00 0.00 C ATOM 1145 NE ARG A 75 -7.470 14.531 -9.790 1.00 0.00 N ATOM 1146 CZ ARG A 75 -8.368 14.273 -10.750 1.00 0.00 C ATOM 1147 NH1 ARG A 75 -8.284 13.198 -11.526 1.00 0.00 N ATOM 1148 NH2 ARG A 75 -9.356 15.128 -10.930 1.00 0.00 N ATOM 0 H ARG A 75 -3.518 15.621 -5.794 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.577 13.388 -6.974 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.465 15.577 -7.430 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.933 16.154 -8.054 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.395 15.866 -9.925 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.185 14.602 -10.016 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.942 13.212 -10.393 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -6.198 13.287 -8.661 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.724 15.265 -9.128 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.517 12.537 -11.400 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.986 13.034 -12.247 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.422 15.961 -10.345 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.054 14.956 -11.654 1.00 0.00 H new ATOM 1162 N ARG A 76 -1.571 13.955 -8.207 1.00 0.00 N ATOM 1163 CA ARG A 76 -0.598 13.337 -9.114 1.00 0.00 C ATOM 1164 C ARG A 76 -0.433 11.838 -8.860 1.00 0.00 C ATOM 1165 O ARG A 76 -0.141 11.097 -9.794 1.00 0.00 O ATOM 1166 CB ARG A 76 0.769 14.049 -9.070 1.00 0.00 C ATOM 1167 CG ARG A 76 1.641 13.528 -10.225 1.00 0.00 C ATOM 1168 CD ARG A 76 2.927 14.313 -10.496 1.00 0.00 C ATOM 1169 NE ARG A 76 3.128 14.524 -11.944 1.00 0.00 N ATOM 1170 CZ ARG A 76 3.684 13.701 -12.846 1.00 0.00 C ATOM 1171 NH1 ARG A 76 4.192 12.523 -12.490 1.00 0.00 N ATOM 1172 NH2 ARG A 76 3.719 14.074 -14.121 1.00 0.00 N ATOM 0 H ARG A 76 -1.214 14.734 -7.653 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.007 13.457 -10.117 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.635 15.127 -9.156 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.260 13.864 -8.114 1.00 0.00 H new ATOM 0 HG2 ARG A 76 1.908 12.492 -10.015 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.041 13.525 -11.135 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.882 15.276 -9.988 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.779 13.774 -10.082 1.00 0.00 H new ATOM 0 HE ARG A 76 2.799 15.418 -12.308 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.163 12.229 -11.514 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.610 11.914 -13.194 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.327 14.973 -14.400 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.138 13.461 -14.820 1.00 0.00 H new ATOM 1186 N ALA A 77 -0.595 11.398 -7.611 1.00 0.00 N ATOM 1187 CA ALA A 77 -0.381 10.011 -7.265 1.00 0.00 C ATOM 1188 C ALA A 77 -1.664 9.190 -7.401 1.00 0.00 C ATOM 1189 O ALA A 77 -1.566 8.068 -7.882 1.00 0.00 O ATOM 1190 CB ALA A 77 0.228 9.907 -5.879 1.00 0.00 C ATOM 0 H ALA A 77 -0.874 11.990 -6.829 1.00 0.00 H new ATOM 0 HA ALA A 77 0.328 9.582 -7.973 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.385 8.858 -5.628 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.183 10.431 -5.861 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.446 10.357 -5.151 1.00 0.00 H new ATOM 1196 N ILE A 78 -2.852 9.741 -7.087 1.00 0.00 N ATOM 1197 CA ILE A 78 -4.132 9.242 -7.583 1.00 0.00 C ATOM 1198 C ILE A 78 -3.956 8.885 -9.071 1.00 0.00 C ATOM 1199 O ILE A 78 -4.149 7.742 -9.470 1.00 0.00 O ATOM 1200 CB ILE A 78 -5.231 10.315 -7.332 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -5.858 10.190 -5.930 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -6.369 10.288 -8.368 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -4.940 10.501 -4.749 1.00 0.00 C ATOM 0 H ILE A 78 -2.942 10.552 -6.476 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.452 8.342 -7.059 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.701 11.263 -7.423 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -6.719 10.857 -5.879 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.234 9.174 -5.813 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -7.097 11.063 -8.129 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.960 10.469 -9.362 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.857 9.313 -8.348 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.492 10.379 -3.817 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.090 9.819 -4.759 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.582 11.528 -4.827 1.00 0.00 H new ATOM 1215 N ALA A 79 -3.475 9.845 -9.873 1.00 0.00 N ATOM 1216 CA ALA A 79 -3.304 9.714 -11.312 1.00 0.00 C ATOM 1217 C ALA A 79 -2.304 8.629 -11.747 1.00 0.00 C ATOM 1218 O ALA A 79 -2.288 8.277 -12.932 1.00 0.00 O ATOM 1219 CB ALA A 79 -2.917 11.067 -11.898 1.00 0.00 C ATOM 0 H ALA A 79 -3.188 10.758 -9.520 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.265 9.381 -11.705 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.788 10.973 -12.976 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.703 11.792 -11.689 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.983 11.404 -11.449 1.00 0.00 H new ATOM 1225 N ALA A 80 -1.467 8.093 -10.855 1.00 0.00 N ATOM 1226 CA ALA A 80 -0.671 6.917 -11.157 1.00 0.00 C ATOM 1227 C ALA A 80 -1.495 5.658 -10.984 1.00 0.00 C ATOM 1228 O ALA A 80 -1.552 4.837 -11.886 1.00 0.00 O ATOM 1229 CB ALA A 80 0.509 6.821 -10.216 1.00 0.00 C ATOM 0 H ALA A 80 -1.328 8.463 -9.915 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.330 7.009 -12.188 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.095 5.934 -10.456 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.133 7.708 -10.323 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.151 6.752 -9.189 1.00 0.00 H new ATOM 1235 N PHE A 81 -2.115 5.487 -9.820 1.00 0.00 N ATOM 1236 CA PHE A 81 -2.946 4.360 -9.506 1.00 0.00 C ATOM 1237 C PHE A 81 -4.094 4.237 -10.506 1.00 0.00 C ATOM 1238 O PHE A 81 -4.391 3.139 -10.960 1.00 0.00 O ATOM 1239 CB PHE A 81 -3.397 4.566 -8.059 1.00 0.00 C ATOM 1240 CG PHE A 81 -2.261 4.653 -7.050 1.00 0.00 C ATOM 1241 CD1 PHE A 81 -1.249 3.679 -7.071 1.00 0.00 C ATOM 1242 CD2 PHE A 81 -2.232 5.653 -6.062 1.00 0.00 C ATOM 1243 CE1 PHE A 81 -0.233 3.670 -6.104 1.00 0.00 C ATOM 1244 CE2 PHE A 81 -1.235 5.631 -5.072 1.00 0.00 C ATOM 1245 CZ PHE A 81 -0.250 4.631 -5.087 1.00 0.00 C ATOM 0 H PHE A 81 -2.042 6.157 -9.055 1.00 0.00 H new ATOM 0 HA PHE A 81 -2.417 3.410 -9.588 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -3.987 5.481 -8.002 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -4.055 3.744 -7.776 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.253 2.925 -7.844 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -2.975 6.437 -6.064 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.553 2.930 -6.144 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -1.227 6.385 -4.298 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.499 4.603 -4.309 1.00 0.00 H new ATOM 1255 N GLU A 82 -4.618 5.367 -10.967 1.00 0.00 N ATOM 1256 CA GLU A 82 -5.532 5.519 -12.088 1.00 0.00 C ATOM 1257 C GLU A 82 -5.079 4.809 -13.360 1.00 0.00 C ATOM 1258 O GLU A 82 -5.925 4.347 -14.121 1.00 0.00 O ATOM 1259 CB GLU A 82 -5.599 7.013 -12.392 1.00 0.00 C ATOM 1260 CG GLU A 82 -6.663 7.703 -11.548 1.00 0.00 C ATOM 1261 CD GLU A 82 -7.966 7.658 -12.329 1.00 0.00 C ATOM 1262 OE1 GLU A 82 -8.083 8.420 -13.316 1.00 0.00 O ATOM 1263 OE2 GLU A 82 -8.835 6.825 -12.008 1.00 0.00 O ATOM 0 H GLU A 82 -4.398 6.264 -10.534 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.487 5.076 -11.804 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.628 7.469 -12.200 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.818 7.162 -13.449 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.775 7.201 -10.587 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.377 8.734 -11.338 1.00 0.00 H new ATOM 1270 N ALA A 83 -3.772 4.716 -13.624 1.00 0.00 N ATOM 1271 CA ALA A 83 -3.273 4.032 -14.811 1.00 0.00 C ATOM 1272 C ALA A 83 -3.607 2.540 -14.791 1.00 0.00 C ATOM 1273 O ALA A 83 -3.604 1.915 -15.854 1.00 0.00 O ATOM 1274 CB ALA A 83 -1.763 4.238 -14.951 1.00 0.00 C ATOM 0 H ALA A 83 -3.043 5.108 -13.028 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.773 4.469 -15.675 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.406 3.721 -15.842 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.548 5.303 -15.039 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.258 3.837 -14.072 1.00 0.00 H new ATOM 1280 N MET A 84 -3.921 1.999 -13.610 1.00 0.00 N ATOM 1281 CA MET A 84 -4.205 0.582 -13.383 1.00 0.00 C ATOM 1282 C MET A 84 -5.503 0.334 -12.601 1.00 0.00 C ATOM 1283 O MET A 84 -5.845 -0.813 -12.322 1.00 0.00 O ATOM 1284 CB MET A 84 -3.003 -0.116 -12.720 1.00 0.00 C ATOM 1285 CG MET A 84 -1.906 0.768 -12.109 1.00 0.00 C ATOM 1286 SD MET A 84 -0.505 1.013 -13.251 1.00 0.00 S ATOM 1287 CE MET A 84 0.243 -0.649 -13.251 1.00 0.00 C ATOM 0 H MET A 84 -3.986 2.556 -12.758 1.00 0.00 H new ATOM 0 HA MET A 84 -4.367 0.139 -14.366 1.00 0.00 H new ATOM 0 HB2 MET A 84 -3.386 -0.766 -11.933 1.00 0.00 H new ATOM 0 HB3 MET A 84 -2.537 -0.760 -13.466 1.00 0.00 H new ATOM 0 HG2 MET A 84 -2.329 1.737 -11.842 1.00 0.00 H new ATOM 0 HG3 MET A 84 -1.546 0.312 -11.187 1.00 0.00 H new ATOM 0 HE1 MET A 84 1.285 -0.579 -13.562 1.00 0.00 H new ATOM 0 HE2 MET A 84 0.192 -1.071 -12.247 1.00 0.00 H new ATOM 0 HE3 MET A 84 -0.300 -1.292 -13.943 1.00 0.00 H new ATOM 1297 N GLY A 85 -6.242 1.382 -12.231 1.00 0.00 N ATOM 1298 CA GLY A 85 -7.391 1.244 -11.339 1.00 0.00 C ATOM 1299 C GLY A 85 -6.994 0.713 -9.962 1.00 0.00 C ATOM 1300 O GLY A 85 -7.694 -0.123 -9.380 1.00 0.00 O ATOM 0 H GLY A 85 -6.063 2.338 -12.538 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.879 2.212 -11.226 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -8.120 0.570 -11.790 1.00 0.00 H new ATOM 1304 N VAL A 86 -5.852 1.175 -9.453 1.00 0.00 N ATOM 1305 CA VAL A 86 -5.337 0.830 -8.135 1.00 0.00 C ATOM 1306 C VAL A 86 -6.104 1.697 -7.132 1.00 0.00 C ATOM 1307 O VAL A 86 -6.131 2.918 -7.250 1.00 0.00 O ATOM 1308 CB VAL A 86 -3.785 0.939 -8.159 1.00 0.00 C ATOM 1309 CG1 VAL A 86 -3.098 0.925 -6.779 1.00 0.00 C ATOM 1310 CG2 VAL A 86 -3.310 -0.257 -8.977 1.00 0.00 C ATOM 0 H VAL A 86 -5.245 1.817 -9.963 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.506 -0.200 -7.822 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.515 1.908 -8.579 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.019 1.006 -6.909 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -3.456 1.766 -6.186 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -3.333 -0.007 -6.265 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.222 -0.247 -9.038 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -3.638 -1.179 -8.498 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.730 -0.201 -9.981 1.00 0.00 H new ATOM 1320 N LYS A 87 -6.855 1.065 -6.227 1.00 0.00 N ATOM 1321 CA LYS A 87 -7.753 1.769 -5.315 1.00 0.00 C ATOM 1322 C LYS A 87 -6.946 2.475 -4.218 1.00 0.00 C ATOM 1323 O LYS A 87 -5.987 1.903 -3.689 1.00 0.00 O ATOM 1324 CB LYS A 87 -8.808 0.770 -4.809 1.00 0.00 C ATOM 1325 CG LYS A 87 -9.650 1.319 -3.650 1.00 0.00 C ATOM 1326 CD LYS A 87 -11.079 0.769 -3.599 1.00 0.00 C ATOM 1327 CE LYS A 87 -11.125 -0.760 -3.502 1.00 0.00 C ATOM 1328 NZ LYS A 87 -12.507 -1.226 -3.292 1.00 0.00 N ATOM 0 H LYS A 87 -6.856 0.052 -6.108 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.296 2.570 -5.816 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.468 0.499 -5.633 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.309 -0.144 -4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.149 1.087 -2.710 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.693 2.405 -3.729 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -11.598 1.198 -2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -11.618 1.088 -4.491 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.722 -1.200 -4.414 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -10.493 -1.097 -2.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.518 -2.264 -3.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -12.879 -0.822 -2.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.101 -0.922 -4.090 1.00 0.00 H new ATOM 1342 N VAL A 88 -7.345 3.698 -3.861 1.00 0.00 N ATOM 1343 CA VAL A 88 -6.582 4.622 -3.032 1.00 0.00 C ATOM 1344 C VAL A 88 -7.395 4.974 -1.790 1.00 0.00 C ATOM 1345 O VAL A 88 -7.987 6.050 -1.677 1.00 0.00 O ATOM 1346 CB VAL A 88 -6.183 5.878 -3.837 1.00 0.00 C ATOM 1347 CG1 VAL A 88 -5.208 6.725 -3.000 1.00 0.00 C ATOM 1348 CG2 VAL A 88 -5.536 5.546 -5.186 1.00 0.00 C ATOM 0 H VAL A 88 -8.243 4.082 -4.155 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.655 4.146 -2.711 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.099 6.429 -4.049 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -4.922 7.614 -3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -5.692 7.024 -2.070 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -4.318 6.138 -2.773 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.279 6.470 -5.703 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.633 4.958 -5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.236 4.973 -5.794 1.00 0.00 H new ATOM 1358 N ILE A 89 -7.382 4.079 -0.813 1.00 0.00 N ATOM 1359 CA ILE A 89 -7.971 4.344 0.487 1.00 0.00 C ATOM 1360 C ILE A 89 -7.111 5.396 1.177 1.00 0.00 C ATOM 1361 O ILE A 89 -5.882 5.300 1.182 1.00 0.00 O ATOM 1362 CB ILE A 89 -8.113 3.008 1.240 1.00 0.00 C ATOM 1363 CG1 ILE A 89 -9.256 2.229 0.553 1.00 0.00 C ATOM 1364 CG2 ILE A 89 -8.349 3.156 2.751 1.00 0.00 C ATOM 1365 CD1 ILE A 89 -9.445 0.823 1.093 1.00 0.00 C ATOM 0 H ILE A 89 -6.964 3.153 -0.901 1.00 0.00 H new ATOM 0 HA ILE A 89 -8.978 4.757 0.434 1.00 0.00 H new ATOM 0 HB ILE A 89 -7.169 2.467 1.181 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -10.186 2.784 0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.055 2.174 -0.517 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.438 2.168 3.204 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.510 3.687 3.200 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -9.267 3.718 2.923 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.264 0.337 0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -8.529 0.251 0.947 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.678 0.870 2.157 1.00 0.00 H new ATOM 1377 N LYS A 90 -7.727 6.441 1.731 1.00 0.00 N ATOM 1378 CA LYS A 90 -6.971 7.550 2.286 1.00 0.00 C ATOM 1379 C LYS A 90 -7.706 8.232 3.424 1.00 0.00 C ATOM 1380 O LYS A 90 -8.928 8.395 3.383 1.00 0.00 O ATOM 1381 CB LYS A 90 -6.596 8.517 1.163 1.00 0.00 C ATOM 1382 CG LYS A 90 -7.777 9.066 0.394 1.00 0.00 C ATOM 1383 CD LYS A 90 -7.248 9.819 -0.822 1.00 0.00 C ATOM 1384 CE LYS A 90 -8.519 10.313 -1.466 1.00 0.00 C ATOM 1385 NZ LYS A 90 -8.372 11.436 -2.402 1.00 0.00 N ATOM 0 H LYS A 90 -8.740 6.537 1.804 1.00 0.00 H new ATOM 0 HA LYS A 90 -6.053 7.165 2.729 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -6.036 9.350 1.588 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -5.930 8.007 0.467 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -8.437 8.256 0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.366 9.731 1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -6.589 10.640 -0.538 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.680 9.170 -1.488 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -8.981 9.481 -1.997 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.210 10.611 -0.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -8.696 12.313 -1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -7.372 11.535 -2.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.944 11.257 -3.252 1.00 0.00 H new ATOM 1399 N GLY A 91 -6.925 8.671 4.409 1.00 0.00 N ATOM 1400 CA GLY A 91 -7.405 9.155 5.696 1.00 0.00 C ATOM 1401 C GLY A 91 -7.103 8.173 6.828 1.00 0.00 C ATOM 1402 O GLY A 91 -7.641 8.335 7.923 1.00 0.00 O ATOM 0 H GLY A 91 -5.909 8.699 4.328 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.941 10.116 5.917 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -8.480 9.325 5.641 1.00 0.00 H new ATOM 1406 N ALA A 92 -6.264 7.155 6.602 1.00 0.00 N ATOM 1407 CA ALA A 92 -5.922 6.171 7.630 1.00 0.00 C ATOM 1408 C ALA A 92 -5.045 6.819 8.706 1.00 0.00 C ATOM 1409 O ALA A 92 -4.675 7.983 8.557 1.00 0.00 O ATOM 1410 CB ALA A 92 -5.215 4.994 6.959 1.00 0.00 C ATOM 0 H ALA A 92 -5.806 6.993 5.705 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.823 5.806 8.123 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.953 4.250 7.711 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -5.878 4.544 6.220 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.309 5.347 6.466 1.00 0.00 H new ATOM 1416 N SER A 93 -4.658 6.105 9.765 1.00 0.00 N ATOM 1417 CA SER A 93 -3.708 6.606 10.754 1.00 0.00 C ATOM 1418 C SER A 93 -3.139 5.446 11.567 1.00 0.00 C ATOM 1419 O SER A 93 -3.815 4.429 11.712 1.00 0.00 O ATOM 1420 CB SER A 93 -4.401 7.625 11.666 1.00 0.00 C ATOM 1421 OG SER A 93 -5.594 7.124 12.243 1.00 0.00 O ATOM 0 H SER A 93 -4.996 5.162 9.959 1.00 0.00 H new ATOM 0 HA SER A 93 -2.882 7.102 10.245 1.00 0.00 H new ATOM 0 HB2 SER A 93 -3.715 7.920 12.460 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.630 8.523 11.092 1.00 0.00 H new ATOM 0 HG SER A 93 -5.994 7.811 12.815 1.00 0.00 H new ATOM 1427 N GLY A 94 -1.958 5.621 12.161 1.00 0.00 N ATOM 1428 CA GLY A 94 -1.379 4.656 13.083 1.00 0.00 C ATOM 1429 C GLY A 94 -0.483 3.657 12.366 1.00 0.00 C ATOM 1430 O GLY A 94 0.170 3.973 11.370 1.00 0.00 O ATOM 0 H GLY A 94 -1.375 6.445 12.011 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -0.802 5.181 13.844 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.177 4.123 13.600 1.00 0.00 H new ATOM 1434 N THR A 95 -0.357 2.475 12.943 1.00 0.00 N ATOM 1435 CA THR A 95 0.578 1.460 12.504 1.00 0.00 C ATOM 1436 C THR A 95 0.022 0.674 11.326 1.00 0.00 C ATOM 1437 O THR A 95 -1.188 0.518 11.183 1.00 0.00 O ATOM 1438 CB THR A 95 0.882 0.529 13.705 1.00 0.00 C ATOM 1439 OG1 THR A 95 -0.182 0.524 14.658 1.00 0.00 O ATOM 1440 CG2 THR A 95 2.097 1.080 14.434 1.00 0.00 C ATOM 0 H THR A 95 -0.915 2.190 13.748 1.00 0.00 H new ATOM 0 HA THR A 95 1.499 1.931 12.161 1.00 0.00 H new ATOM 0 HB THR A 95 1.031 -0.478 13.315 1.00 0.00 H new ATOM 0 HG1 THR A 95 -0.306 -0.384 15.005 1.00 0.00 H new ATOM 0 HG21 THR A 95 2.331 0.441 15.285 1.00 0.00 H new ATOM 0 HG22 THR A 95 2.949 1.106 13.754 1.00 0.00 H new ATOM 0 HG23 THR A 95 1.883 2.089 14.786 1.00 0.00 H new ATOM 1448 N VAL A 96 0.905 0.125 10.496 1.00 0.00 N ATOM 1449 CA VAL A 96 0.516 -0.656 9.329 1.00 0.00 C ATOM 1450 C VAL A 96 -0.284 -1.888 9.735 1.00 0.00 C ATOM 1451 O VAL A 96 -1.297 -2.180 9.111 1.00 0.00 O ATOM 1452 CB VAL A 96 1.784 -1.036 8.562 1.00 0.00 C ATOM 1453 CG1 VAL A 96 1.584 -2.144 7.522 1.00 0.00 C ATOM 1454 CG2 VAL A 96 2.332 0.186 7.833 1.00 0.00 C ATOM 0 H VAL A 96 1.914 0.211 10.616 1.00 0.00 H new ATOM 0 HA VAL A 96 -0.134 -0.063 8.685 1.00 0.00 H new ATOM 0 HB VAL A 96 2.475 -1.412 9.316 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.531 -2.352 7.025 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.228 -3.048 8.017 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.850 -1.822 6.784 1.00 0.00 H new ATOM 0 HG21 VAL A 96 3.235 -0.090 7.288 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.584 0.557 7.132 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.569 0.966 8.557 1.00 0.00 H new ATOM 1464 N GLU A 97 0.160 -2.626 10.751 1.00 0.00 N ATOM 1465 CA GLU A 97 -0.519 -3.862 11.158 1.00 0.00 C ATOM 1466 C GLU A 97 -1.989 -3.609 11.553 1.00 0.00 C ATOM 1467 O GLU A 97 -2.829 -4.494 11.376 1.00 0.00 O ATOM 1468 CB GLU A 97 0.250 -4.578 12.279 1.00 0.00 C ATOM 1469 CG GLU A 97 0.451 -3.733 13.538 1.00 0.00 C ATOM 1470 CD GLU A 97 1.238 -4.472 14.623 1.00 0.00 C ATOM 1471 OE1 GLU A 97 2.493 -4.373 14.625 1.00 0.00 O ATOM 1472 OE2 GLU A 97 0.616 -5.128 15.480 1.00 0.00 O ATOM 0 H GLU A 97 0.983 -2.394 11.307 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.532 -4.523 10.291 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -0.285 -5.489 12.548 1.00 0.00 H new ATOM 0 HB3 GLU A 97 1.225 -4.882 11.899 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.976 -2.815 13.275 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -0.522 -3.441 13.935 1.00 0.00 H new ATOM 1479 N GLU A 98 -2.291 -2.399 12.037 1.00 0.00 N ATOM 1480 CA GLU A 98 -3.612 -1.888 12.378 1.00 0.00 C ATOM 1481 C GLU A 98 -4.314 -1.433 11.101 1.00 0.00 C ATOM 1482 O GLU A 98 -5.397 -1.923 10.797 1.00 0.00 O ATOM 1483 CB GLU A 98 -3.491 -0.693 13.348 1.00 0.00 C ATOM 1484 CG GLU A 98 -3.626 -1.064 14.824 1.00 0.00 C ATOM 1485 CD GLU A 98 -2.575 -2.068 15.282 1.00 0.00 C ATOM 1486 OE1 GLU A 98 -1.382 -1.689 15.375 1.00 0.00 O ATOM 1487 OE2 GLU A 98 -2.977 -3.222 15.571 1.00 0.00 O ATOM 0 H GLU A 98 -1.563 -1.706 12.211 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.187 -2.677 12.862 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.526 -0.211 13.194 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.257 0.041 13.099 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.546 -0.161 15.429 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.618 -1.479 15.000 1.00 0.00 H new ATOM 1494 N VAL A 99 -3.706 -0.511 10.348 1.00 0.00 N ATOM 1495 CA VAL A 99 -4.272 0.085 9.145 1.00 0.00 C ATOM 1496 C VAL A 99 -4.722 -1.002 8.161 1.00 0.00 C ATOM 1497 O VAL A 99 -5.817 -0.918 7.603 1.00 0.00 O ATOM 1498 CB VAL A 99 -3.208 1.034 8.548 1.00 0.00 C ATOM 1499 CG1 VAL A 99 -3.492 1.439 7.116 1.00 0.00 C ATOM 1500 CG2 VAL A 99 -3.146 2.365 9.307 1.00 0.00 C ATOM 0 H VAL A 99 -2.778 -0.151 10.570 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.168 0.661 9.376 1.00 0.00 H new ATOM 0 HB VAL A 99 -2.285 0.458 8.619 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.704 2.105 6.763 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.525 0.550 6.486 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -4.451 1.954 7.067 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.387 3.005 8.858 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.116 2.860 9.253 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.892 2.177 10.350 1.00 0.00 H new ATOM 1510 N VAL A 100 -3.889 -2.018 7.941 1.00 0.00 N ATOM 1511 CA VAL A 100 -4.209 -3.148 7.084 1.00 0.00 C ATOM 1512 C VAL A 100 -5.460 -3.827 7.633 1.00 0.00 C ATOM 1513 O VAL A 100 -6.416 -4.017 6.876 1.00 0.00 O ATOM 1514 CB VAL A 100 -2.982 -4.079 6.974 1.00 0.00 C ATOM 1515 CG1 VAL A 100 -3.281 -5.408 6.275 1.00 0.00 C ATOM 1516 CG2 VAL A 100 -1.898 -3.376 6.151 1.00 0.00 C ATOM 0 H VAL A 100 -2.961 -2.076 8.361 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.435 -2.834 6.065 1.00 0.00 H new ATOM 0 HB VAL A 100 -2.669 -4.294 7.996 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.373 -6.010 6.234 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -4.049 -5.947 6.830 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -3.634 -5.215 5.262 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.026 -4.025 6.067 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.283 -3.155 5.155 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.612 -2.447 6.644 1.00 0.00 H new ATOM 1526 N ASN A 101 -5.496 -4.145 8.935 1.00 0.00 N ATOM 1527 CA ASN A 101 -6.682 -4.759 9.523 1.00 0.00 C ATOM 1528 C ASN A 101 -7.913 -3.888 9.273 1.00 0.00 C ATOM 1529 O ASN A 101 -8.908 -4.432 8.812 1.00 0.00 O ATOM 1530 CB ASN A 101 -6.491 -5.037 11.027 1.00 0.00 C ATOM 1531 CG ASN A 101 -7.758 -5.582 11.694 1.00 0.00 C ATOM 1532 OD1 ASN A 101 -8.802 -4.937 11.725 1.00 0.00 O ATOM 1533 ND2 ASN A 101 -7.704 -6.771 12.253 1.00 0.00 N ATOM 0 H ASN A 101 -4.728 -3.988 9.587 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.838 -5.722 9.037 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -5.679 -5.752 11.160 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -6.190 -4.116 11.527 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.529 -7.157 12.712 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -6.837 -7.308 12.228 1.00 0.00 H new ATOM 1540 N GLN A 102 -7.866 -2.572 9.517 1.00 0.00 N ATOM 1541 CA GLN A 102 -9.035 -1.702 9.372 1.00 0.00 C ATOM 1542 C GLN A 102 -9.673 -1.821 7.986 1.00 0.00 C ATOM 1543 O GLN A 102 -10.899 -1.775 7.862 1.00 0.00 O ATOM 1544 CB GLN A 102 -8.684 -0.227 9.618 1.00 0.00 C ATOM 1545 CG GLN A 102 -8.171 0.067 11.029 1.00 0.00 C ATOM 1546 CD GLN A 102 -8.320 1.542 11.397 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -8.152 2.438 10.571 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -8.675 1.826 12.637 1.00 0.00 N ATOM 0 H GLN A 102 -7.022 -2.085 9.818 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.746 -2.038 10.126 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -7.927 0.080 8.897 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -9.568 0.382 9.431 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -8.718 -0.543 11.748 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -7.122 -0.220 11.100 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -8.811 1.075 13.313 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -8.813 2.797 12.918 1.00 0.00 H new ATOM 1557 N TYR A 103 -8.858 -1.956 6.942 1.00 0.00 N ATOM 1558 CA TYR A 103 -9.324 -2.138 5.581 1.00 0.00 C ATOM 1559 C TYR A 103 -9.928 -3.509 5.364 1.00 0.00 C ATOM 1560 O TYR A 103 -11.055 -3.601 4.870 1.00 0.00 O ATOM 1561 CB TYR A 103 -8.178 -1.875 4.618 1.00 0.00 C ATOM 1562 CG TYR A 103 -8.410 -2.441 3.231 1.00 0.00 C ATOM 1563 CD1 TYR A 103 -9.489 -1.956 2.476 1.00 0.00 C ATOM 1564 CD2 TYR A 103 -7.647 -3.522 2.751 1.00 0.00 C ATOM 1565 CE1 TYR A 103 -9.778 -2.505 1.216 1.00 0.00 C ATOM 1566 CE2 TYR A 103 -7.946 -4.098 1.503 1.00 0.00 C ATOM 1567 CZ TYR A 103 -9.000 -3.571 0.720 1.00 0.00 C ATOM 1568 OH TYR A 103 -9.294 -4.099 -0.497 1.00 0.00 O ATOM 0 H TYR A 103 -7.842 -1.941 7.026 1.00 0.00 H new ATOM 0 HA TYR A 103 -10.123 -1.421 5.390 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -8.019 -0.799 4.541 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -7.264 -2.304 5.028 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -10.101 -1.156 2.866 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -6.830 -3.910 3.342 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -10.594 -2.111 0.628 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -7.373 -4.940 1.144 1.00 0.00 H new ATOM 0 HH TYR A 103 -9.683 -3.405 -1.069 1.00 0.00 H new ATOM 1578 N LEU A 104 -9.208 -4.564 5.742 1.00 0.00 N ATOM 1579 CA LEU A 104 -9.687 -5.926 5.624 1.00 0.00 C ATOM 1580 C LEU A 104 -11.030 -6.044 6.351 1.00 0.00 C ATOM 1581 O LEU A 104 -11.963 -6.671 5.850 1.00 0.00 O ATOM 1582 CB LEU A 104 -8.663 -6.906 6.226 1.00 0.00 C ATOM 1583 CG LEU A 104 -7.583 -7.367 5.238 1.00 0.00 C ATOM 1584 CD1 LEU A 104 -6.480 -6.355 4.986 1.00 0.00 C ATOM 1585 CD2 LEU A 104 -6.895 -8.663 5.679 1.00 0.00 C ATOM 0 H LEU A 104 -8.272 -4.490 6.140 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.819 -6.178 4.572 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.180 -6.431 7.080 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.192 -7.781 6.604 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.150 -7.513 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.763 -6.767 4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.911 -5.441 4.577 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -5.973 -6.129 5.924 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -6.141 -8.943 4.944 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.419 -8.511 6.648 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.636 -9.459 5.760 1.00 0.00 H new ATOM 1597 N SER A 105 -11.139 -5.371 7.494 1.00 0.00 N ATOM 1598 CA SER A 105 -12.301 -5.362 8.370 1.00 0.00 C ATOM 1599 C SER A 105 -13.407 -4.429 7.851 1.00 0.00 C ATOM 1600 O SER A 105 -14.499 -4.416 8.413 1.00 0.00 O ATOM 1601 CB SER A 105 -11.850 -4.979 9.787 1.00 0.00 C ATOM 1602 OG SER A 105 -10.962 -5.954 10.317 1.00 0.00 O ATOM 0 H SER A 105 -10.380 -4.789 7.849 1.00 0.00 H new ATOM 0 HA SER A 105 -12.739 -6.360 8.390 1.00 0.00 H new ATOM 0 HB2 SER A 105 -11.358 -4.006 9.766 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.720 -4.882 10.436 1.00 0.00 H new ATOM 0 HG SER A 105 -10.232 -5.507 10.794 1.00 0.00 H new ATOM 1608 N GLY A 106 -13.168 -3.668 6.777 1.00 0.00 N ATOM 1609 CA GLY A 106 -14.175 -2.886 6.069 1.00 0.00 C ATOM 1610 C GLY A 106 -14.410 -1.486 6.633 1.00 0.00 C ATOM 1611 O GLY A 106 -15.306 -0.789 6.148 1.00 0.00 O ATOM 0 H GLY A 106 -12.238 -3.580 6.368 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -13.877 -2.797 5.024 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -15.118 -3.433 6.086 1.00 0.00 H new ATOM 1615 N GLN A 107 -13.643 -1.062 7.639 1.00 0.00 N ATOM 1616 CA GLN A 107 -13.864 0.209 8.329 1.00 0.00 C ATOM 1617 C GLN A 107 -13.273 1.379 7.546 1.00 0.00 C ATOM 1618 O GLN A 107 -13.817 2.487 7.551 1.00 0.00 O ATOM 1619 CB GLN A 107 -13.229 0.133 9.724 1.00 0.00 C ATOM 1620 CG GLN A 107 -13.919 -0.925 10.597 1.00 0.00 C ATOM 1621 CD GLN A 107 -15.351 -0.535 10.982 1.00 0.00 C ATOM 1622 OE1 GLN A 107 -15.678 0.637 11.140 1.00 0.00 O ATOM 1623 NE2 GLN A 107 -16.256 -1.485 11.122 1.00 0.00 N ATOM 0 H GLN A 107 -12.849 -1.592 7.999 1.00 0.00 H new ATOM 0 HA GLN A 107 -14.937 0.380 8.414 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.169 -0.105 9.631 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.295 1.107 10.209 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -13.937 -1.875 10.063 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.333 -1.080 11.503 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.994 -2.462 10.993 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -17.218 -1.242 11.360 1.00 0.00 H new ATOM 1632 N LEU A 108 -12.144 1.135 6.888 1.00 0.00 N ATOM 1633 CA LEU A 108 -11.467 2.118 6.049 1.00 0.00 C ATOM 1634 C LEU A 108 -12.252 2.364 4.755 1.00 0.00 C ATOM 1635 O LEU A 108 -13.087 1.547 4.369 1.00 0.00 O ATOM 1636 CB LEU A 108 -10.039 1.632 5.768 1.00 0.00 C ATOM 1637 CG LEU A 108 -8.983 2.300 6.656 1.00 0.00 C ATOM 1638 CD1 LEU A 108 -7.645 1.608 6.423 1.00 0.00 C ATOM 1639 CD2 LEU A 108 -8.807 3.794 6.388 1.00 0.00 C ATOM 0 H LEU A 108 -11.666 0.235 6.923 1.00 0.00 H new ATOM 0 HA LEU A 108 -11.415 3.074 6.570 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.995 0.553 5.913 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.797 1.823 4.722 1.00 0.00 H new ATOM 0 HG LEU A 108 -9.328 2.200 7.685 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -6.882 2.072 7.048 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -7.732 0.552 6.680 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.363 1.704 5.374 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.044 4.196 7.054 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -8.501 3.944 5.353 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.751 4.309 6.565 1.00 0.00 H new ATOM 1651 N LYS A 109 -11.984 3.484 4.072 1.00 0.00 N ATOM 1652 CA LYS A 109 -12.734 3.934 2.904 1.00 0.00 C ATOM 1653 C LYS A 109 -11.822 4.744 1.983 1.00 0.00 C ATOM 1654 O LYS A 109 -10.889 5.399 2.451 1.00 0.00 O ATOM 1655 CB LYS A 109 -13.906 4.807 3.406 1.00 0.00 C ATOM 1656 CG LYS A 109 -15.124 4.792 2.479 1.00 0.00 C ATOM 1657 CD LYS A 109 -15.904 3.473 2.584 1.00 0.00 C ATOM 1658 CE LYS A 109 -16.528 3.117 1.235 1.00 0.00 C ATOM 1659 NZ LYS A 109 -17.788 3.834 0.943 1.00 0.00 N ATOM 0 H LYS A 109 -11.222 4.113 4.326 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.115 3.083 2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -14.208 4.461 4.394 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.560 5.834 3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -15.782 5.624 2.730 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.799 4.941 1.449 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -15.237 2.673 2.906 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -16.683 3.563 3.341 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.808 3.334 0.446 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -16.718 2.044 1.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -18.148 3.539 0.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -18.493 3.609 1.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -17.611 4.859 0.936 1.00 0.00 H new ATOM 1673 N ASP A 110 -12.118 4.761 0.686 1.00 0.00 N ATOM 1674 CA ASP A 110 -11.505 5.636 -0.324 1.00 0.00 C ATOM 1675 C ASP A 110 -12.451 6.757 -0.738 1.00 0.00 C ATOM 1676 O ASP A 110 -12.137 7.538 -1.635 1.00 0.00 O ATOM 1677 CB ASP A 110 -11.019 4.860 -1.569 1.00 0.00 C ATOM 1678 CG ASP A 110 -12.140 4.248 -2.404 1.00 0.00 C ATOM 1679 OD1 ASP A 110 -13.057 3.698 -1.767 1.00 0.00 O ATOM 1680 OD2 ASP A 110 -12.005 4.205 -3.656 1.00 0.00 O ATOM 0 H ASP A 110 -12.822 4.140 0.287 1.00 0.00 H new ATOM 0 HA ASP A 110 -10.627 6.075 0.150 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -10.439 5.534 -2.199 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -10.346 4.065 -1.248 1.00 0.00 H new ATOM 1685 N SER A 111 -13.518 6.949 0.041 1.00 0.00 N ATOM 1686 CA SER A 111 -14.501 8.005 -0.139 1.00 0.00 C ATOM 1687 C SER A 111 -14.996 7.972 -1.593 1.00 0.00 C ATOM 1688 O SER A 111 -15.338 6.903 -2.098 1.00 0.00 O ATOM 1689 CB SER A 111 -13.850 9.301 0.354 1.00 0.00 C ATOM 1690 OG SER A 111 -14.719 10.396 0.589 1.00 0.00 O ATOM 0 H SER A 111 -13.723 6.350 0.840 1.00 0.00 H new ATOM 0 HA SER A 111 -15.413 7.890 0.447 1.00 0.00 H new ATOM 0 HB2 SER A 111 -13.317 9.084 1.279 1.00 0.00 H new ATOM 0 HB3 SER A 111 -13.104 9.609 -0.379 1.00 0.00 H new ATOM 0 HG SER A 111 -14.199 11.166 0.901 1.00 0.00 H new ATOM 1696 N ASP A 112 -15.080 9.131 -2.239 1.00 0.00 N ATOM 1697 CA ASP A 112 -15.610 9.322 -3.577 1.00 0.00 C ATOM 1698 C ASP A 112 -14.526 10.007 -4.400 1.00 0.00 C ATOM 1699 O ASP A 112 -14.213 11.180 -4.151 1.00 0.00 O ATOM 1700 CB ASP A 112 -16.898 10.162 -3.504 1.00 0.00 C ATOM 1701 CG ASP A 112 -18.131 9.298 -3.718 1.00 0.00 C ATOM 1702 OD1 ASP A 112 -18.487 9.090 -4.900 1.00 0.00 O ATOM 1703 OD2 ASP A 112 -18.731 8.864 -2.707 1.00 0.00 O ATOM 0 H ASP A 112 -14.763 10.004 -1.818 1.00 0.00 H new ATOM 0 HA ASP A 112 -15.873 8.375 -4.047 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -16.960 10.654 -2.533 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -16.866 10.948 -4.259 1.00 0.00 H new ATOM 1708 N TYR A 113 -13.939 9.304 -5.367 1.00 0.00 N ATOM 1709 CA TYR A 113 -13.050 9.874 -6.379 1.00 0.00 C ATOM 1710 C TYR A 113 -13.585 9.464 -7.746 1.00 0.00 C ATOM 1711 O TYR A 113 -14.155 8.378 -7.873 1.00 0.00 O ATOM 1712 CB TYR A 113 -11.595 9.395 -6.185 1.00 0.00 C ATOM 1713 CG TYR A 113 -10.593 10.527 -6.340 1.00 0.00 C ATOM 1714 CD1 TYR A 113 -10.218 10.997 -7.612 1.00 0.00 C ATOM 1715 CD2 TYR A 113 -10.123 11.182 -5.191 1.00 0.00 C ATOM 1716 CE1 TYR A 113 -9.436 12.160 -7.736 1.00 0.00 C ATOM 1717 CE2 TYR A 113 -9.343 12.346 -5.301 1.00 0.00 C ATOM 1718 CZ TYR A 113 -9.003 12.841 -6.576 1.00 0.00 C ATOM 1719 OH TYR A 113 -8.266 13.984 -6.659 1.00 0.00 O ATOM 0 H TYR A 113 -14.071 8.298 -5.471 1.00 0.00 H new ATOM 0 HA TYR A 113 -13.032 10.960 -6.290 1.00 0.00 H new ATOM 0 HB2 TYR A 113 -11.489 8.951 -5.195 1.00 0.00 H new ATOM 0 HB3 TYR A 113 -11.372 8.613 -6.910 1.00 0.00 H new ATOM 0 HD1 TYR A 113 -10.532 10.463 -8.497 1.00 0.00 H new ATOM 0 HD2 TYR A 113 -10.363 10.788 -4.214 1.00 0.00 H new ATOM 0 HE1 TYR A 113 -9.168 12.531 -8.714 1.00 0.00 H new ATOM 0 HE2 TYR A 113 -9.006 12.859 -4.412 1.00 0.00 H new ATOM 0 HH TYR A 113 -8.063 14.308 -5.757 1.00 0.00 H new ATOM 1729 N GLU A 114 -13.386 10.302 -8.763 1.00 0.00 N ATOM 1730 CA GLU A 114 -13.645 9.909 -10.143 1.00 0.00 C ATOM 1731 C GLU A 114 -12.672 8.790 -10.542 1.00 0.00 C ATOM 1732 O GLU A 114 -11.637 8.602 -9.893 1.00 0.00 O ATOM 1733 CB GLU A 114 -13.533 11.132 -11.073 1.00 0.00 C ATOM 1734 CG GLU A 114 -12.089 11.638 -11.204 1.00 0.00 C ATOM 1735 CD GLU A 114 -11.976 12.873 -12.091 1.00 0.00 C ATOM 1736 OE1 GLU A 114 -12.036 12.784 -13.332 1.00 0.00 O ATOM 1737 OE2 GLU A 114 -11.723 13.984 -11.569 1.00 0.00 O ATOM 0 H GLU A 114 -13.046 11.258 -8.654 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.660 9.524 -10.238 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -13.914 10.870 -12.060 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -14.163 11.935 -10.690 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.699 11.870 -10.213 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -11.466 10.843 -11.614 1.00 0.00 H new ATOM 1744 N VAL A 115 -12.953 8.092 -11.642 1.00 0.00 N ATOM 1745 CA VAL A 115 -12.055 7.085 -12.190 1.00 0.00 C ATOM 1746 C VAL A 115 -11.931 7.323 -13.690 1.00 0.00 C ATOM 1747 O VAL A 115 -12.953 7.477 -14.369 1.00 0.00 O ATOM 1748 CB VAL A 115 -12.555 5.663 -11.849 1.00 0.00 C ATOM 1749 CG1 VAL A 115 -11.647 4.580 -12.454 1.00 0.00 C ATOM 1750 CG2 VAL A 115 -12.618 5.425 -10.331 1.00 0.00 C ATOM 0 H VAL A 115 -13.813 8.212 -12.177 1.00 0.00 H new ATOM 0 HA VAL A 115 -11.064 7.169 -11.743 1.00 0.00 H new ATOM 0 HB VAL A 115 -13.555 5.593 -12.276 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -12.032 3.594 -12.192 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -11.628 4.685 -13.539 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -10.636 4.691 -12.061 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -12.974 4.414 -10.136 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -11.624 5.549 -9.902 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -13.301 6.144 -9.878 1.00 0.00 H new ATOM 1760 N HIS A 116 -10.707 7.259 -14.231 1.00 0.00 N ATOM 1761 CA HIS A 116 -10.384 7.484 -15.646 1.00 0.00 C ATOM 1762 C HIS A 116 -10.531 8.992 -15.966 1.00 0.00 C ATOM 1763 O HIS A 116 -10.528 9.811 -15.050 1.00 0.00 O ATOM 1764 CB HIS A 116 -11.189 6.507 -16.536 1.00 0.00 C ATOM 1765 CG HIS A 116 -10.438 5.707 -17.573 1.00 0.00 C ATOM 1766 ND1 HIS A 116 -9.372 4.840 -17.370 1.00 0.00 N ATOM 1767 CD2 HIS A 116 -10.908 5.488 -18.836 1.00 0.00 C ATOM 1768 CE1 HIS A 116 -9.208 4.125 -18.503 1.00 0.00 C ATOM 1769 NE2 HIS A 116 -10.124 4.511 -19.412 1.00 0.00 N ATOM 0 H HIS A 116 -9.882 7.040 -13.672 1.00 0.00 H new ATOM 0 HA HIS A 116 -9.344 7.248 -15.872 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -11.702 5.804 -15.880 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -11.958 7.082 -17.051 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -11.744 5.990 -19.301 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -8.459 3.362 -18.657 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -10.221 4.145 -20.359 1.00 0.00 H new ATOM 1778 N ASP A 117 -10.589 9.381 -17.247 1.00 0.00 N ATOM 1779 CA ASP A 117 -10.586 10.768 -17.760 1.00 0.00 C ATOM 1780 C ASP A 117 -9.603 11.688 -17.025 1.00 0.00 C ATOM 1781 O ASP A 117 -9.974 12.699 -16.429 1.00 0.00 O ATOM 1782 CB ASP A 117 -12.007 11.381 -17.852 1.00 0.00 C ATOM 1783 CG ASP A 117 -12.758 11.014 -19.130 1.00 0.00 C ATOM 1784 OD1 ASP A 117 -12.091 10.799 -20.174 1.00 0.00 O ATOM 1785 OD2 ASP A 117 -14.004 10.966 -19.100 1.00 0.00 O ATOM 0 H ASP A 117 -10.643 8.698 -18.003 1.00 0.00 H new ATOM 0 HA ASP A 117 -10.216 10.692 -18.782 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -12.590 11.052 -16.992 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -11.929 12.466 -17.787 1.00 0.00 H new ATOM 1790 N HIS A 118 -8.305 11.387 -17.111 1.00 0.00 N ATOM 1791 CA HIS A 118 -7.255 12.258 -16.586 1.00 0.00 C ATOM 1792 C HIS A 118 -6.108 12.324 -17.587 1.00 0.00 C ATOM 1793 O HIS A 118 -5.021 11.803 -17.328 1.00 0.00 O ATOM 1794 CB HIS A 118 -6.826 11.802 -15.186 1.00 0.00 C ATOM 1795 CG HIS A 118 -5.971 12.819 -14.486 1.00 0.00 C ATOM 1796 ND1 HIS A 118 -6.432 13.945 -13.832 1.00 0.00 N ATOM 1797 CD2 HIS A 118 -4.610 12.783 -14.393 1.00 0.00 C ATOM 1798 CE1 HIS A 118 -5.352 14.584 -13.337 1.00 0.00 C ATOM 1799 NE2 HIS A 118 -4.239 13.894 -13.662 1.00 0.00 N ATOM 0 H HIS A 118 -7.954 10.534 -17.546 1.00 0.00 H new ATOM 0 HA HIS A 118 -7.630 13.274 -16.463 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -7.713 11.602 -14.585 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -6.277 10.864 -15.265 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -3.953 12.034 -14.809 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -5.375 15.503 -12.770 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -3.284 14.150 -13.410 1.00 0.00 H new ATOM 1808 N HIS A 119 -6.338 12.901 -18.768 1.00 0.00 N ATOM 1809 CA HIS A 119 -5.261 13.118 -19.727 1.00 0.00 C ATOM 1810 C HIS A 119 -5.666 14.150 -20.767 1.00 0.00 C ATOM 1811 O HIS A 119 -6.848 14.333 -21.047 1.00 0.00 O ATOM 1812 CB HIS A 119 -4.869 11.792 -20.415 1.00 0.00 C ATOM 1813 CG HIS A 119 -3.378 11.646 -20.560 1.00 0.00 C ATOM 1814 ND1 HIS A 119 -2.684 11.373 -21.724 1.00 0.00 N ATOM 1815 CD2 HIS A 119 -2.480 11.685 -19.527 1.00 0.00 C ATOM 1816 CE1 HIS A 119 -1.385 11.273 -21.400 1.00 0.00 C ATOM 1817 NE2 HIS A 119 -1.235 11.447 -20.074 1.00 0.00 N ATOM 0 H HIS A 119 -7.254 13.223 -19.079 1.00 0.00 H new ATOM 0 HA HIS A 119 -4.396 13.496 -19.183 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -5.260 10.955 -19.836 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -5.335 11.744 -21.399 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -2.703 11.867 -18.486 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -0.583 11.082 -22.097 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -0.354 11.410 -19.562 1.00 0.00 H new ATOM 1826 N HIS A 120 -4.666 14.757 -21.404 1.00 0.00 N ATOM 1827 CA HIS A 120 -4.804 15.632 -22.562 1.00 0.00 C ATOM 1828 C HIS A 120 -3.519 15.451 -23.373 1.00 0.00 C ATOM 1829 O HIS A 120 -2.450 15.312 -22.766 1.00 0.00 O ATOM 1830 CB HIS A 120 -4.986 17.077 -22.066 1.00 0.00 C ATOM 1831 CG HIS A 120 -5.769 17.963 -22.999 1.00 0.00 C ATOM 1832 ND1 HIS A 120 -5.243 18.925 -23.840 1.00 0.00 N ATOM 1833 CD2 HIS A 120 -7.133 18.052 -23.050 1.00 0.00 C ATOM 1834 CE1 HIS A 120 -6.273 19.612 -24.367 1.00 0.00 C ATOM 1835 NE2 HIS A 120 -7.429 19.088 -23.914 1.00 0.00 N ATOM 0 H HIS A 120 -3.695 14.646 -21.112 1.00 0.00 H new ATOM 0 HA HIS A 120 -5.668 15.398 -23.183 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -5.488 17.055 -21.099 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -4.003 17.519 -21.905 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -7.840 17.433 -22.518 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -6.187 20.449 -25.044 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -8.365 19.404 -24.167 1.00 0.00 H new ATOM 1844 N HIS A 121 -3.594 15.372 -24.702 1.00 0.00 N ATOM 1845 CA HIS A 121 -2.444 15.342 -25.610 1.00 0.00 C ATOM 1846 C HIS A 121 -2.988 15.532 -27.023 1.00 0.00 C ATOM 1847 O HIS A 121 -2.637 16.498 -27.695 1.00 0.00 O ATOM 1848 CB HIS A 121 -1.653 14.018 -25.490 1.00 0.00 C ATOM 1849 CG HIS A 121 -0.186 14.081 -25.840 1.00 0.00 C ATOM 1850 ND1 HIS A 121 0.455 15.012 -26.641 1.00 0.00 N ATOM 1851 CD2 HIS A 121 0.745 13.163 -25.435 1.00 0.00 C ATOM 1852 CE1 HIS A 121 1.751 14.657 -26.719 1.00 0.00 C ATOM 1853 NE2 HIS A 121 1.951 13.552 -25.981 1.00 0.00 N ATOM 0 H HIS A 121 -4.486 15.326 -25.194 1.00 0.00 H new ATOM 0 HA HIS A 121 -1.741 16.135 -25.355 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -1.745 13.656 -24.466 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -2.127 13.277 -26.134 1.00 0.00 H new ATOM 0 HD2 HIS A 121 0.570 12.301 -24.809 1.00 0.00 H new ATOM 0 HE1 HIS A 121 2.510 15.178 -27.285 1.00 0.00 H new ATOM 0 HE2 HIS A 121 2.845 13.080 -25.847 1.00 0.00 H new ATOM 1862 N GLU A 122 -3.833 14.603 -27.462 1.00 0.00 N ATOM 1863 CA GLU A 122 -4.581 14.589 -28.710 1.00 0.00 C ATOM 1864 C GLU A 122 -5.697 13.561 -28.486 1.00 0.00 C ATOM 1865 O GLU A 122 -5.470 12.582 -27.765 1.00 0.00 O ATOM 1866 CB GLU A 122 -3.619 14.228 -29.867 1.00 0.00 C ATOM 1867 CG GLU A 122 -4.192 13.425 -31.051 1.00 0.00 C ATOM 1868 CD GLU A 122 -4.132 11.915 -30.795 1.00 0.00 C ATOM 1869 OE1 GLU A 122 -3.020 11.336 -30.849 1.00 0.00 O ATOM 1870 OE2 GLU A 122 -5.168 11.297 -30.471 1.00 0.00 O ATOM 0 H GLU A 122 -4.026 13.771 -26.904 1.00 0.00 H new ATOM 0 HA GLU A 122 -5.019 15.549 -28.985 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -3.205 15.156 -30.261 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -2.788 13.661 -29.448 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -5.226 13.723 -31.227 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -3.633 13.663 -31.956 1.00 0.00 H new ATOM 1877 N HIS A 123 -6.861 13.774 -29.107 1.00 0.00 N ATOM 1878 CA HIS A 123 -8.065 12.942 -29.181 1.00 0.00 C ATOM 1879 C HIS A 123 -9.223 13.849 -29.600 1.00 0.00 C ATOM 1880 O HIS A 123 -9.001 15.005 -29.966 1.00 0.00 O ATOM 1881 CB HIS A 123 -8.355 12.166 -27.876 1.00 0.00 C ATOM 1882 CG HIS A 123 -7.979 10.709 -27.960 1.00 0.00 C ATOM 1883 ND1 HIS A 123 -6.933 10.173 -28.689 1.00 0.00 N ATOM 1884 CD2 HIS A 123 -8.634 9.686 -27.334 1.00 0.00 C ATOM 1885 CE1 HIS A 123 -6.951 8.844 -28.489 1.00 0.00 C ATOM 1886 NE2 HIS A 123 -7.969 8.521 -27.668 1.00 0.00 N ATOM 0 H HIS A 123 -6.997 14.638 -29.633 1.00 0.00 H new ATOM 0 HA HIS A 123 -7.918 12.156 -29.922 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -7.808 12.630 -27.055 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -9.416 12.249 -27.639 1.00 0.00 H new ATOM 0 HD1 HIS A 123 -6.272 10.689 -29.269 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -9.504 9.771 -26.700 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -6.254 8.141 -28.921 1.00 0.00 H new ATOM 1895 N HIS A 124 -10.439 13.307 -29.623 1.00 0.00 N ATOM 1896 CA HIS A 124 -11.652 14.099 -29.617 1.00 0.00 C ATOM 1897 C HIS A 124 -12.074 14.118 -28.154 1.00 0.00 C ATOM 1898 O HIS A 124 -12.945 13.304 -27.771 1.00 0.00 O ATOM 1899 CB HIS A 124 -12.679 13.477 -30.571 1.00 0.00 C ATOM 1900 CG HIS A 124 -12.122 13.180 -31.938 1.00 0.00 C ATOM 1901 ND1 HIS A 124 -11.832 11.926 -32.428 1.00 0.00 N ATOM 1902 CD2 HIS A 124 -11.772 14.098 -32.886 1.00 0.00 C ATOM 1903 CE1 HIS A 124 -11.332 12.102 -33.668 1.00 0.00 C ATOM 1904 NE2 HIS A 124 -11.288 13.414 -33.980 1.00 0.00 N ATOM 0 H HIS A 124 -10.604 12.301 -29.646 1.00 0.00 H new ATOM 0 HA HIS A 124 -11.533 15.120 -29.980 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -13.058 12.554 -30.133 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -13.527 14.154 -30.672 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -11.859 15.171 -32.795 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -11.011 11.304 -34.321 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -10.960 13.821 -34.856 1.00 0.00 H new TER 1913 HIS A 124