USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 751 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 52 THR OG1 : rot 108:sc= -2.2! USER MOD Set 1.2: A 56 HIS : no HD1:sc=-0.00055 X(o=-2.2,f=-2.2) USER MOD Single : A 3 THR OG1 : rot 28:sc= 0.0597 USER MOD Single : A 5 ASN : amide:sc= -0.497 K(o=-0.5,f=-1.5) USER MOD Single : A 14 ASN : amide:sc= -0.308! X(o=-0.31!,f=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.0979 K(o=-0.098,f=-0.66) USER MOD Single : A 26 GLN : amide:sc= -3.05! K(o=-3.1!,f=-1.4) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.289 X(o=-0.29,f=-0.24) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 5:sc= 1.2 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN : amide:sc= 0.168 K(o=0.17,f=-0.44) USER MOD Single : A 53 LYS NZ :NH3+ 161:sc= -0.0526 (180deg=-0.373) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -113:sc= 0.106 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 165:sc= -0.0574 (180deg=-0.308) USER MOD Single : A 70 ASN : amide:sc= -0.235 K(o=-0.24,f=-1.2) USER MOD Single : A 75 MET CE :methyl -172:sc= -0.3 (180deg=-0.364) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 52:sc= 0.307 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -173:sc= 0.462 (180deg=0.347) USER MOD Single : A 86 LYS NZ :NH3+ -162:sc= 0.293 (180deg=-0.572) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N THR A 3 -3.817 15.395 -0.201 1.00 0.00 N ATOM 26 CA THR A 3 -3.914 14.130 0.509 1.00 0.00 C ATOM 27 C THR A 3 -5.384 13.743 0.701 1.00 0.00 C ATOM 28 O THR A 3 -6.253 14.609 0.832 1.00 0.00 O ATOM 29 CB THR A 3 -3.175 14.220 1.864 1.00 0.00 C ATOM 30 OG1 THR A 3 -1.783 14.477 1.629 1.00 0.00 O ATOM 31 CG2 THR A 3 -3.314 12.945 2.688 1.00 0.00 C ATOM 0 HA THR A 3 -3.435 13.350 -0.083 1.00 0.00 H new ATOM 0 HB THR A 3 -3.630 15.032 2.431 1.00 0.00 H new ATOM 0 HG1 THR A 3 -1.678 14.966 0.786 1.00 0.00 H new ATOM 0 HG21 THR A 3 -2.777 13.060 3.630 1.00 0.00 H new ATOM 0 HG22 THR A 3 -4.368 12.757 2.892 1.00 0.00 H new ATOM 0 HG23 THR A 3 -2.896 12.105 2.132 1.00 0.00 H new ATOM 39 N ARG A 4 -5.658 12.445 0.728 1.00 0.00 N ATOM 40 CA ARG A 4 -7.005 11.927 0.760 1.00 0.00 C ATOM 41 C ARG A 4 -7.077 10.858 1.842 1.00 0.00 C ATOM 42 O ARG A 4 -6.046 10.279 2.197 1.00 0.00 O ATOM 43 CB ARG A 4 -7.326 11.362 -0.615 1.00 0.00 C ATOM 44 CG ARG A 4 -6.433 10.212 -1.028 1.00 0.00 C ATOM 45 CD ARG A 4 -5.837 10.419 -2.410 1.00 0.00 C ATOM 46 NE ARG A 4 -6.850 10.529 -3.450 1.00 0.00 N ATOM 47 CZ ARG A 4 -6.595 10.957 -4.684 1.00 0.00 C ATOM 48 NH1 ARG A 4 -5.375 11.383 -5.008 1.00 0.00 N ATOM 49 NH2 ARG A 4 -7.554 10.974 -5.594 1.00 0.00 N ATOM 0 H ARG A 4 -4.939 11.721 0.728 1.00 0.00 H new ATOM 0 HA ARG A 4 -7.736 12.701 0.994 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -8.363 11.026 -0.626 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -7.241 12.159 -1.354 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.629 10.098 -0.300 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -7.007 9.285 -1.016 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.227 11.322 -2.406 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -5.173 9.587 -2.643 1.00 0.00 H new ATOM 0 HE ARG A 4 -7.808 10.263 -3.220 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -4.632 11.382 -4.309 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.184 11.710 -5.955 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.493 10.658 -5.351 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -7.355 11.303 -6.539 1.00 0.00 H new ATOM 63 N ASN A 5 -8.255 10.596 2.393 1.00 0.00 N ATOM 64 CA ASN A 5 -8.367 9.674 3.503 1.00 0.00 C ATOM 65 C ASN A 5 -9.001 8.375 3.046 1.00 0.00 C ATOM 66 O ASN A 5 -9.884 8.364 2.187 1.00 0.00 O ATOM 67 CB ASN A 5 -9.219 10.281 4.615 1.00 0.00 C ATOM 68 CG ASN A 5 -8.663 11.580 5.147 1.00 0.00 C ATOM 69 OD1 ASN A 5 -7.856 11.592 6.073 1.00 0.00 O ATOM 70 ND2 ASN A 5 -9.098 12.685 4.574 1.00 0.00 N ATOM 0 H ASN A 5 -9.137 11.008 2.089 1.00 0.00 H new ATOM 0 HA ASN A 5 -7.365 9.476 3.882 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -10.228 10.452 4.239 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -9.300 9.566 5.433 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -8.764 13.593 4.897 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -9.769 12.632 3.807 1.00 0.00 H new ATOM 77 N PHE A 6 -8.560 7.281 3.630 1.00 0.00 N ATOM 78 CA PHE A 6 -9.066 5.969 3.277 1.00 0.00 C ATOM 79 C PHE A 6 -9.542 5.246 4.512 1.00 0.00 C ATOM 80 O PHE A 6 -9.159 5.588 5.619 1.00 0.00 O ATOM 81 CB PHE A 6 -7.975 5.135 2.606 1.00 0.00 C ATOM 82 CG PHE A 6 -7.420 5.758 1.362 1.00 0.00 C ATOM 83 CD1 PHE A 6 -6.482 6.771 1.444 1.00 0.00 C ATOM 84 CD2 PHE A 6 -7.851 5.347 0.115 1.00 0.00 C ATOM 85 CE1 PHE A 6 -5.986 7.363 0.308 1.00 0.00 C ATOM 86 CE2 PHE A 6 -7.352 5.934 -1.031 1.00 0.00 C ATOM 87 CZ PHE A 6 -6.421 6.945 -0.932 1.00 0.00 C ATOM 0 H PHE A 6 -7.846 7.274 4.358 1.00 0.00 H new ATOM 0 HA PHE A 6 -9.897 6.103 2.584 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -7.163 4.977 3.316 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -8.380 4.153 2.361 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -6.135 7.100 2.412 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.585 4.559 0.036 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.256 8.155 0.386 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.690 5.602 -2.001 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.032 7.410 -1.826 1.00 0.00 H new ATOM 97 N VAL A 7 -10.394 4.268 4.319 1.00 0.00 N ATOM 98 CA VAL A 7 -10.743 3.357 5.383 1.00 0.00 C ATOM 99 C VAL A 7 -10.552 1.932 4.901 1.00 0.00 C ATOM 100 O VAL A 7 -11.060 1.528 3.851 1.00 0.00 O ATOM 101 CB VAL A 7 -12.164 3.603 5.938 1.00 0.00 C ATOM 102 CG1 VAL A 7 -13.085 4.123 4.857 1.00 0.00 C ATOM 103 CG2 VAL A 7 -12.735 2.350 6.584 1.00 0.00 C ATOM 0 H VAL A 7 -10.860 4.082 3.431 1.00 0.00 H new ATOM 0 HA VAL A 7 -10.075 3.538 6.225 1.00 0.00 H new ATOM 0 HB VAL A 7 -12.087 4.366 6.713 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -14.079 4.288 5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -12.694 5.063 4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -13.147 3.393 4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -13.735 2.560 6.963 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -12.787 1.551 5.844 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -12.092 2.040 7.408 1.00 0.00 H new ATOM 113 N LEU A 8 -9.764 1.213 5.665 1.00 0.00 N ATOM 114 CA LEU A 8 -9.251 -0.087 5.283 1.00 0.00 C ATOM 115 C LEU A 8 -10.353 -1.138 5.255 1.00 0.00 C ATOM 116 O LEU A 8 -11.271 -1.118 6.068 1.00 0.00 O ATOM 117 CB LEU A 8 -8.165 -0.475 6.289 1.00 0.00 C ATOM 118 CG LEU A 8 -7.018 -1.354 5.785 1.00 0.00 C ATOM 119 CD1 LEU A 8 -7.365 -2.819 5.885 1.00 0.00 C ATOM 120 CD2 LEU A 8 -6.622 -0.976 4.369 1.00 0.00 C ATOM 0 H LEU A 8 -9.454 1.519 6.587 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.840 -0.035 4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.735 0.443 6.690 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.645 -0.992 7.120 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.157 -1.177 6.429 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.530 -3.416 5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.566 -3.075 6.925 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.250 -3.025 5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.805 -1.616 4.036 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.477 -1.105 3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -6.299 0.065 4.347 1.00 0.00 H new ATOM 132 N ARG A 9 -10.259 -2.033 4.293 1.00 0.00 N ATOM 133 CA ARG A 9 -11.126 -3.204 4.233 1.00 0.00 C ATOM 134 C ARG A 9 -10.347 -4.375 3.652 1.00 0.00 C ATOM 135 O ARG A 9 -9.516 -4.189 2.763 1.00 0.00 O ATOM 136 CB ARG A 9 -12.394 -2.928 3.420 1.00 0.00 C ATOM 137 CG ARG A 9 -12.148 -2.479 1.994 1.00 0.00 C ATOM 138 CD ARG A 9 -13.448 -2.076 1.321 1.00 0.00 C ATOM 139 NE ARG A 9 -14.359 -3.209 1.124 1.00 0.00 N ATOM 140 CZ ARG A 9 -15.661 -3.180 1.423 1.00 0.00 C ATOM 141 NH1 ARG A 9 -16.182 -2.129 2.046 1.00 0.00 N ATOM 142 NH2 ARG A 9 -16.439 -4.210 1.118 1.00 0.00 N ATOM 0 H ARG A 9 -9.584 -1.975 3.531 1.00 0.00 H new ATOM 0 HA ARG A 9 -11.449 -3.452 5.244 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.001 -3.833 3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -12.978 -2.163 3.932 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -11.455 -1.638 1.988 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -11.677 -3.285 1.431 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -13.945 -1.317 1.925 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.227 -1.621 0.356 1.00 0.00 H new ATOM 0 HE ARG A 9 -13.975 -4.071 0.735 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -15.588 -1.339 2.298 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -17.176 -2.111 2.272 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.044 -5.028 0.654 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -17.432 -4.184 1.348 1.00 0.00 H new ATOM 156 N ASP A 10 -10.579 -5.575 4.172 1.00 0.00 N ATOM 157 CA ASP A 10 -9.840 -6.747 3.711 1.00 0.00 C ATOM 158 C ASP A 10 -10.524 -7.428 2.526 1.00 0.00 C ATOM 159 O ASP A 10 -11.361 -6.823 1.847 1.00 0.00 O ATOM 160 CB ASP A 10 -9.643 -7.748 4.859 1.00 0.00 C ATOM 161 CG ASP A 10 -10.933 -8.142 5.558 1.00 0.00 C ATOM 162 OD1 ASP A 10 -11.998 -8.179 4.908 1.00 0.00 O ATOM 163 OD2 ASP A 10 -10.887 -8.411 6.773 1.00 0.00 O ATOM 0 H ASP A 10 -11.264 -5.762 4.904 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.865 -6.399 3.371 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.164 -8.646 4.468 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.961 -7.317 5.592 1.00 0.00 H new ATOM 168 N GLU A 11 -10.145 -8.684 2.278 1.00 0.00 N ATOM 169 CA GLU A 11 -10.664 -9.471 1.155 1.00 0.00 C ATOM 170 C GLU A 11 -12.185 -9.517 1.167 1.00 0.00 C ATOM 171 O GLU A 11 -12.835 -9.429 0.121 1.00 0.00 O ATOM 172 CB GLU A 11 -10.122 -10.896 1.227 1.00 0.00 C ATOM 173 CG GLU A 11 -8.613 -10.966 1.350 1.00 0.00 C ATOM 174 CD GLU A 11 -8.108 -12.387 1.484 1.00 0.00 C ATOM 175 OE1 GLU A 11 -8.197 -13.150 0.498 1.00 0.00 O ATOM 176 OE2 GLU A 11 -7.611 -12.745 2.575 1.00 0.00 O ATOM 0 H GLU A 11 -9.467 -9.186 2.852 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.338 -8.991 0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.572 -11.404 2.080 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -10.431 -11.439 0.334 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.158 -10.503 0.474 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.295 -10.387 2.217 1.00 0.00 H new ATOM 183 N ASP A 12 -12.740 -9.623 2.362 1.00 0.00 N ATOM 184 CA ASP A 12 -14.185 -9.704 2.521 1.00 0.00 C ATOM 185 C ASP A 12 -14.742 -8.297 2.573 1.00 0.00 C ATOM 186 O ASP A 12 -15.800 -7.999 2.018 1.00 0.00 O ATOM 187 CB ASP A 12 -14.553 -10.462 3.799 1.00 0.00 C ATOM 188 CG ASP A 12 -16.042 -10.724 3.913 1.00 0.00 C ATOM 189 OD1 ASP A 12 -16.521 -11.705 3.304 1.00 0.00 O ATOM 190 OD2 ASP A 12 -16.740 -9.966 4.621 1.00 0.00 O ATOM 0 H ASP A 12 -12.215 -9.655 3.236 1.00 0.00 H new ATOM 0 HA ASP A 12 -14.611 -10.247 1.678 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -14.018 -11.411 3.821 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -14.221 -9.889 4.665 1.00 0.00 H new ATOM 195 N GLY A 13 -13.999 -7.439 3.245 1.00 0.00 N ATOM 196 CA GLY A 13 -14.293 -6.029 3.238 1.00 0.00 C ATOM 197 C GLY A 13 -14.541 -5.504 4.630 1.00 0.00 C ATOM 198 O GLY A 13 -15.301 -4.557 4.819 1.00 0.00 O ATOM 0 H GLY A 13 -13.186 -7.700 3.803 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -13.462 -5.486 2.787 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -15.170 -5.843 2.617 1.00 0.00 H new ATOM 202 N ASN A 14 -13.891 -6.124 5.605 1.00 0.00 N ATOM 203 CA ASN A 14 -14.042 -5.713 6.990 1.00 0.00 C ATOM 204 C ASN A 14 -13.368 -4.378 7.226 1.00 0.00 C ATOM 205 O ASN A 14 -12.197 -4.196 6.882 1.00 0.00 O ATOM 206 CB ASN A 14 -13.478 -6.765 7.943 1.00 0.00 C ATOM 207 CG ASN A 14 -14.221 -8.084 7.857 1.00 0.00 C ATOM 208 OD1 ASN A 14 -15.225 -8.288 8.538 1.00 0.00 O ATOM 209 ND2 ASN A 14 -13.727 -8.995 7.032 1.00 0.00 N ATOM 0 H ASN A 14 -13.257 -6.910 5.462 1.00 0.00 H new ATOM 0 HA ASN A 14 -15.108 -5.609 7.192 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -12.425 -6.929 7.715 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -13.528 -6.389 8.965 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.182 -9.904 6.945 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -12.892 -8.788 6.484 1.00 0.00 H new ATOM 216 N GLU A 15 -14.114 -3.455 7.815 1.00 0.00 N ATOM 217 CA GLU A 15 -13.635 -2.102 8.037 1.00 0.00 C ATOM 218 C GLU A 15 -12.520 -2.063 9.069 1.00 0.00 C ATOM 219 O GLU A 15 -12.745 -2.237 10.267 1.00 0.00 O ATOM 220 CB GLU A 15 -14.776 -1.182 8.461 1.00 0.00 C ATOM 221 CG GLU A 15 -15.659 -0.748 7.305 1.00 0.00 C ATOM 222 CD GLU A 15 -16.599 0.377 7.680 1.00 0.00 C ATOM 223 OE1 GLU A 15 -16.145 1.349 8.325 1.00 0.00 O ATOM 224 OE2 GLU A 15 -17.791 0.309 7.313 1.00 0.00 O ATOM 0 H GLU A 15 -15.063 -3.623 8.150 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.230 -1.745 7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.388 -1.693 9.205 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -14.360 -0.297 8.943 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -15.031 -0.429 6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -16.241 -1.602 6.957 1.00 0.00 H new ATOM 231 N HIS A 16 -11.317 -1.836 8.581 1.00 0.00 N ATOM 232 CA HIS A 16 -10.148 -1.674 9.414 1.00 0.00 C ATOM 233 C HIS A 16 -9.787 -0.198 9.504 1.00 0.00 C ATOM 234 O HIS A 16 -10.619 0.659 9.203 1.00 0.00 O ATOM 235 CB HIS A 16 -8.985 -2.503 8.885 1.00 0.00 C ATOM 236 CG HIS A 16 -9.120 -3.965 9.182 1.00 0.00 C ATOM 237 ND1 HIS A 16 -8.833 -4.505 10.415 1.00 0.00 N ATOM 238 CD2 HIS A 16 -9.520 -5.001 8.404 1.00 0.00 C ATOM 239 CE1 HIS A 16 -9.046 -5.804 10.385 1.00 0.00 C ATOM 240 NE2 HIS A 16 -9.465 -6.135 9.179 1.00 0.00 N ATOM 0 H HIS A 16 -11.124 -1.758 7.582 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.370 -2.037 10.417 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.908 -2.363 7.807 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.056 -2.134 9.321 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -9.825 -4.946 7.369 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -8.902 -6.485 11.211 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -9.708 -7.077 8.872 1.00 0.00 H new ATOM 249 N GLY A 17 -8.564 0.093 9.926 1.00 0.00 N ATOM 250 CA GLY A 17 -8.178 1.455 10.235 1.00 0.00 C ATOM 251 C GLY A 17 -8.362 2.450 9.104 1.00 0.00 C ATOM 252 O GLY A 17 -8.415 2.090 7.930 1.00 0.00 O ATOM 0 H GLY A 17 -7.826 -0.598 10.061 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.757 1.794 11.094 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.130 1.460 10.535 1.00 0.00 H new ATOM 256 N VAL A 18 -8.475 3.712 9.483 1.00 0.00 N ATOM 257 CA VAL A 18 -8.492 4.808 8.531 1.00 0.00 C ATOM 258 C VAL A 18 -7.055 5.126 8.121 1.00 0.00 C ATOM 259 O VAL A 18 -6.149 5.088 8.957 1.00 0.00 O ATOM 260 CB VAL A 18 -9.157 6.061 9.152 1.00 0.00 C ATOM 261 CG1 VAL A 18 -9.141 7.242 8.191 1.00 0.00 C ATOM 262 CG2 VAL A 18 -10.580 5.745 9.580 1.00 0.00 C ATOM 0 H VAL A 18 -8.557 4.004 10.457 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.072 4.517 7.656 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.576 6.344 10.030 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.616 8.102 8.663 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.111 7.491 7.938 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.685 6.980 7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.035 6.635 10.015 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.159 5.428 8.713 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.568 4.945 10.320 1.00 0.00 H new ATOM 272 N PHE A 19 -6.840 5.431 6.850 1.00 0.00 N ATOM 273 CA PHE A 19 -5.496 5.676 6.335 1.00 0.00 C ATOM 274 C PHE A 19 -5.438 7.047 5.677 1.00 0.00 C ATOM 275 O PHE A 19 -6.470 7.607 5.305 1.00 0.00 O ATOM 276 CB PHE A 19 -5.095 4.616 5.299 1.00 0.00 C ATOM 277 CG PHE A 19 -4.798 3.248 5.854 1.00 0.00 C ATOM 278 CD1 PHE A 19 -5.783 2.506 6.478 1.00 0.00 C ATOM 279 CD2 PHE A 19 -3.533 2.698 5.728 1.00 0.00 C ATOM 280 CE1 PHE A 19 -5.516 1.245 6.970 1.00 0.00 C ATOM 281 CE2 PHE A 19 -3.261 1.432 6.214 1.00 0.00 C ATOM 282 CZ PHE A 19 -4.257 0.704 6.836 1.00 0.00 C ATOM 0 H PHE A 19 -7.579 5.516 6.153 1.00 0.00 H new ATOM 0 HA PHE A 19 -4.804 5.628 7.176 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -5.898 4.526 4.567 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.214 4.971 4.764 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.775 2.919 6.582 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.750 3.264 5.245 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.296 0.681 7.461 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.271 1.013 6.107 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.049 -0.285 7.216 1.00 0.00 H new ATOM 292 N THR A 20 -4.240 7.586 5.547 1.00 0.00 N ATOM 293 CA THR A 20 -4.038 8.838 4.843 1.00 0.00 C ATOM 294 C THR A 20 -2.943 8.701 3.793 1.00 0.00 C ATOM 295 O THR A 20 -1.977 7.957 3.974 1.00 0.00 O ATOM 296 CB THR A 20 -3.688 9.981 5.814 1.00 0.00 C ATOM 297 OG1 THR A 20 -2.638 9.576 6.706 1.00 0.00 O ATOM 298 CG2 THR A 20 -4.907 10.389 6.618 1.00 0.00 C ATOM 0 H THR A 20 -3.387 7.173 5.923 1.00 0.00 H new ATOM 0 HA THR A 20 -4.977 9.083 4.347 1.00 0.00 H new ATOM 0 HB THR A 20 -3.349 10.834 5.226 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.425 10.313 7.316 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.640 11.198 7.298 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.692 10.728 5.942 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.266 9.535 7.192 1.00 0.00 H new ATOM 306 N GLY A 21 -3.107 9.409 2.689 1.00 0.00 N ATOM 307 CA GLY A 21 -2.121 9.395 1.633 1.00 0.00 C ATOM 308 C GLY A 21 -2.556 10.317 0.521 1.00 0.00 C ATOM 309 O GLY A 21 -3.745 10.425 0.255 1.00 0.00 O ATOM 0 H GLY A 21 -3.917 10.001 2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.153 9.710 2.022 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.997 8.382 1.251 1.00 0.00 H new ATOM 313 N LYS A 22 -1.621 11.003 -0.122 1.00 0.00 N ATOM 314 CA LYS A 22 -1.984 11.928 -1.196 1.00 0.00 C ATOM 315 C LYS A 22 -2.476 11.184 -2.434 1.00 0.00 C ATOM 316 O LYS A 22 -2.976 11.784 -3.386 1.00 0.00 O ATOM 317 CB LYS A 22 -0.828 12.856 -1.535 1.00 0.00 C ATOM 318 CG LYS A 22 0.526 12.189 -1.510 1.00 0.00 C ATOM 319 CD LYS A 22 1.535 13.124 -0.894 1.00 0.00 C ATOM 320 CE LYS A 22 1.882 14.270 -1.833 1.00 0.00 C ATOM 321 NZ LYS A 22 2.845 15.218 -1.217 1.00 0.00 N ATOM 0 H LYS A 22 -0.622 10.942 0.073 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.809 12.541 -0.835 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.994 13.279 -2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.825 13.687 -0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.476 11.262 -0.938 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.831 11.923 -2.522 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.139 13.525 0.039 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.440 12.570 -0.644 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.306 13.869 -2.754 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.972 14.804 -2.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.056 15.984 -1.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.431 15.620 -0.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.724 14.715 -0.979 1.00 0.00 H new ATOM 335 N GLN A 23 -2.343 9.865 -2.403 1.00 0.00 N ATOM 336 CA GLN A 23 -2.872 9.009 -3.450 1.00 0.00 C ATOM 337 C GLN A 23 -3.034 7.589 -2.933 1.00 0.00 C ATOM 338 O GLN A 23 -2.290 7.156 -2.052 1.00 0.00 O ATOM 339 CB GLN A 23 -1.969 9.030 -4.685 1.00 0.00 C ATOM 340 CG GLN A 23 -0.496 8.790 -4.389 1.00 0.00 C ATOM 341 CD GLN A 23 0.354 8.770 -5.645 1.00 0.00 C ATOM 342 OE1 GLN A 23 0.029 9.417 -6.640 1.00 0.00 O ATOM 343 NE2 GLN A 23 1.455 8.034 -5.602 1.00 0.00 N ATOM 0 H GLN A 23 -1.867 9.362 -1.654 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.850 9.391 -3.743 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -2.315 8.271 -5.386 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.075 9.994 -5.182 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.132 9.570 -3.720 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -0.384 7.842 -3.864 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.687 7.513 -4.757 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.070 7.989 -6.414 1.00 0.00 H new ATOM 352 N PRO A 24 -4.030 6.866 -3.483 1.00 0.00 N ATOM 353 CA PRO A 24 -4.392 5.491 -3.080 1.00 0.00 C ATOM 354 C PRO A 24 -3.228 4.499 -3.041 1.00 0.00 C ATOM 355 O PRO A 24 -3.370 3.406 -2.500 1.00 0.00 O ATOM 356 CB PRO A 24 -5.389 5.061 -4.154 1.00 0.00 C ATOM 357 CG PRO A 24 -6.003 6.324 -4.634 1.00 0.00 C ATOM 358 CD PRO A 24 -4.926 7.370 -4.544 1.00 0.00 C ATOM 0 HA PRO A 24 -4.771 5.491 -2.058 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.891 4.531 -4.966 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.142 4.386 -3.747 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.360 6.219 -5.658 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.863 6.596 -4.023 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.399 7.484 -5.491 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.338 8.347 -4.289 1.00 0.00 H new ATOM 366 N ARG A 25 -2.065 4.907 -3.528 1.00 0.00 N ATOM 367 CA ARG A 25 -0.940 3.994 -3.640 1.00 0.00 C ATOM 368 C ARG A 25 -0.056 4.187 -2.417 1.00 0.00 C ATOM 369 O ARG A 25 0.665 3.292 -1.994 1.00 0.00 O ATOM 370 CB ARG A 25 -0.139 4.256 -4.917 1.00 0.00 C ATOM 371 CG ARG A 25 0.944 3.222 -5.162 1.00 0.00 C ATOM 372 CD ARG A 25 1.676 3.468 -6.471 1.00 0.00 C ATOM 373 NE ARG A 25 2.381 2.273 -6.943 1.00 0.00 N ATOM 374 CZ ARG A 25 3.090 2.219 -8.077 1.00 0.00 C ATOM 375 NH1 ARG A 25 3.274 3.311 -8.807 1.00 0.00 N ATOM 376 NH2 ARG A 25 3.627 1.070 -8.480 1.00 0.00 N ATOM 0 H ARG A 25 -1.878 5.857 -3.849 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.306 2.968 -3.691 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.819 4.270 -5.769 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.317 5.244 -4.857 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.657 3.241 -4.338 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.499 2.227 -5.176 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.963 3.790 -7.229 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.390 4.281 -6.339 1.00 0.00 H new ATOM 0 HE ARG A 25 2.328 1.430 -6.372 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.874 4.200 -8.505 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.815 3.262 -9.670 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.499 0.225 -7.924 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.166 1.035 -9.345 1.00 0.00 H new ATOM 390 N GLN A 26 -0.151 5.385 -1.852 1.00 0.00 N ATOM 391 CA GLN A 26 0.601 5.773 -0.670 1.00 0.00 C ATOM 392 C GLN A 26 -0.154 5.366 0.577 1.00 0.00 C ATOM 393 O GLN A 26 0.372 5.441 1.679 1.00 0.00 O ATOM 394 CB GLN A 26 0.833 7.285 -0.660 1.00 0.00 C ATOM 395 CG GLN A 26 1.714 7.772 -1.793 1.00 0.00 C ATOM 396 CD GLN A 26 3.099 7.162 -1.754 1.00 0.00 C ATOM 397 OE1 GLN A 26 4.022 7.723 -1.171 1.00 0.00 O ATOM 398 NE2 GLN A 26 3.245 5.992 -2.355 1.00 0.00 N ATOM 0 H GLN A 26 -0.760 6.121 -2.208 1.00 0.00 H new ATOM 0 HA GLN A 26 1.567 5.268 -0.689 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.130 7.792 -0.716 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.287 7.568 0.290 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.241 7.532 -2.745 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.797 8.858 -1.743 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.452 5.559 -2.829 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.151 5.523 -2.345 1.00 0.00 H new ATOM 407 N ALA A 27 -1.381 4.914 0.389 1.00 0.00 N ATOM 408 CA ALA A 27 -2.188 4.442 1.492 1.00 0.00 C ATOM 409 C ALA A 27 -1.922 2.963 1.661 1.00 0.00 C ATOM 410 O ALA A 27 -1.680 2.485 2.766 1.00 0.00 O ATOM 411 CB ALA A 27 -3.657 4.711 1.226 1.00 0.00 C ATOM 0 H ALA A 27 -1.839 4.865 -0.521 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.928 4.969 2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.251 4.350 2.066 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.814 5.783 1.105 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.963 4.194 0.316 1.00 0.00 H new ATOM 417 N ALA A 28 -1.985 2.243 0.544 1.00 0.00 N ATOM 418 CA ALA A 28 -1.490 0.877 0.477 1.00 0.00 C ATOM 419 C ALA A 28 -0.023 0.826 0.888 1.00 0.00 C ATOM 420 O ALA A 28 0.431 -0.131 1.515 1.00 0.00 O ATOM 421 CB ALA A 28 -1.676 0.335 -0.930 1.00 0.00 C ATOM 0 H ALA A 28 -2.378 2.589 -0.332 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.057 0.254 1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.304 -0.689 -0.978 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.735 0.349 -1.188 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.122 0.955 -1.635 1.00 0.00 H new ATOM 427 N LEU A 29 0.706 1.872 0.525 1.00 0.00 N ATOM 428 CA LEU A 29 2.086 2.041 0.951 1.00 0.00 C ATOM 429 C LEU A 29 2.145 2.031 2.479 1.00 0.00 C ATOM 430 O LEU A 29 2.845 1.229 3.087 1.00 0.00 O ATOM 431 CB LEU A 29 2.628 3.369 0.404 1.00 0.00 C ATOM 432 CG LEU A 29 4.141 3.530 0.413 1.00 0.00 C ATOM 433 CD1 LEU A 29 4.685 3.244 -0.976 1.00 0.00 C ATOM 434 CD2 LEU A 29 4.531 4.926 0.873 1.00 0.00 C ATOM 0 H LEU A 29 0.358 2.624 -0.070 1.00 0.00 H new ATOM 0 HA LEU A 29 2.698 1.225 0.567 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.277 3.486 -0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.193 4.182 0.985 1.00 0.00 H new ATOM 0 HG LEU A 29 4.574 2.819 1.117 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.769 3.359 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.429 2.225 -1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.248 3.943 -1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.617 5.019 0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.103 5.665 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.153 5.096 1.881 1.00 0.00 H new ATOM 446 N LYS A 30 1.378 2.932 3.081 1.00 0.00 N ATOM 447 CA LYS A 30 1.225 3.003 4.536 1.00 0.00 C ATOM 448 C LYS A 30 0.616 1.730 5.131 1.00 0.00 C ATOM 449 O LYS A 30 0.538 1.596 6.353 1.00 0.00 O ATOM 450 CB LYS A 30 0.368 4.202 4.935 1.00 0.00 C ATOM 451 CG LYS A 30 0.972 5.545 4.557 1.00 0.00 C ATOM 452 CD LYS A 30 2.326 5.766 5.206 1.00 0.00 C ATOM 453 CE LYS A 30 2.987 7.030 4.679 1.00 0.00 C ATOM 454 NZ LYS A 30 4.320 7.267 5.294 1.00 0.00 N ATOM 0 H LYS A 30 0.842 3.637 2.576 1.00 0.00 H new ATOM 0 HA LYS A 30 2.231 3.114 4.940 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.611 4.109 4.464 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.206 4.178 6.013 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.076 5.603 3.474 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.293 6.344 4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.207 5.838 6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.970 4.908 5.013 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.096 6.956 3.597 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.341 7.885 4.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.732 8.139 4.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.215 7.364 6.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.947 6.464 5.084 1.00 0.00 H new ATOM 468 N ALA A 31 0.200 0.792 4.288 1.00 0.00 N ATOM 469 CA ALA A 31 -0.454 -0.412 4.770 1.00 0.00 C ATOM 470 C ALA A 31 0.584 -1.521 4.880 1.00 0.00 C ATOM 471 O ALA A 31 0.603 -2.285 5.846 1.00 0.00 O ATOM 472 CB ALA A 31 -1.589 -0.822 3.845 1.00 0.00 C ATOM 0 H ALA A 31 0.304 0.844 3.275 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.889 -0.221 5.751 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.062 -1.726 4.228 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.326 -0.020 3.795 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.194 -1.014 2.847 1.00 0.00 H new ATOM 478 N ALA A 32 1.475 -1.570 3.888 1.00 0.00 N ATOM 479 CA ALA A 32 2.613 -2.490 3.904 1.00 0.00 C ATOM 480 C ALA A 32 3.641 -2.015 4.911 1.00 0.00 C ATOM 481 O ALA A 32 4.581 -2.722 5.270 1.00 0.00 O ATOM 482 CB ALA A 32 3.256 -2.589 2.534 1.00 0.00 C ATOM 0 H ALA A 32 1.429 -0.979 3.058 1.00 0.00 H new ATOM 0 HA ALA A 32 2.247 -3.478 4.185 1.00 0.00 H new ATOM 0 HB1 ALA A 32 4.098 -3.279 2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.524 -2.954 1.814 1.00 0.00 H new ATOM 0 HB3 ALA A 32 3.609 -1.605 2.226 1.00 0.00 H new ATOM 488 N ASN A 33 3.421 -0.803 5.367 1.00 0.00 N ATOM 489 CA ASN A 33 4.337 -0.121 6.254 1.00 0.00 C ATOM 490 C ASN A 33 4.068 -0.556 7.691 1.00 0.00 C ATOM 491 O ASN A 33 4.781 -0.180 8.617 1.00 0.00 O ATOM 492 CB ASN A 33 4.161 1.395 6.079 1.00 0.00 C ATOM 493 CG ASN A 33 4.958 2.226 7.064 1.00 0.00 C ATOM 494 OD1 ASN A 33 6.128 2.533 6.837 1.00 0.00 O ATOM 495 ND2 ASN A 33 4.317 2.619 8.151 1.00 0.00 N ATOM 0 H ASN A 33 2.593 -0.257 5.130 1.00 0.00 H new ATOM 0 HA ASN A 33 5.369 -0.378 6.014 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.455 1.670 5.066 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.104 1.642 6.182 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.792 3.200 8.841 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.347 2.341 8.299 1.00 0.00 H new ATOM 502 N ARG A 34 3.057 -1.406 7.864 1.00 0.00 N ATOM 503 CA ARG A 34 2.632 -1.845 9.178 1.00 0.00 C ATOM 504 C ARG A 34 3.063 -3.283 9.351 1.00 0.00 C ATOM 505 O ARG A 34 2.599 -3.992 10.245 1.00 0.00 O ATOM 506 CB ARG A 34 1.115 -1.768 9.309 1.00 0.00 C ATOM 507 CG ARG A 34 0.535 -0.393 9.056 1.00 0.00 C ATOM 508 CD ARG A 34 -0.936 -0.378 9.407 1.00 0.00 C ATOM 509 NE ARG A 34 -1.508 0.963 9.380 1.00 0.00 N ATOM 510 CZ ARG A 34 -2.676 1.274 9.938 1.00 0.00 C ATOM 511 NH1 ARG A 34 -3.405 0.327 10.521 1.00 0.00 N ATOM 512 NH2 ARG A 34 -3.121 2.524 9.900 1.00 0.00 N ATOM 0 H ARG A 34 2.516 -1.804 7.096 1.00 0.00 H new ATOM 0 HA ARG A 34 3.079 -1.203 9.937 1.00 0.00 H new ATOM 0 HB2 ARG A 34 0.666 -2.473 8.609 1.00 0.00 H new ATOM 0 HB3 ARG A 34 0.832 -2.090 10.311 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.067 0.350 9.651 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.670 -0.119 8.010 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.479 -1.014 8.708 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.073 -0.807 10.400 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.986 1.702 8.909 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.069 -0.636 10.540 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.300 0.563 10.949 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.568 3.249 9.443 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.016 2.760 10.328 1.00 0.00 H new ATOM 526 N GLY A 35 3.966 -3.699 8.479 1.00 0.00 N ATOM 527 CA GLY A 35 4.351 -5.060 8.398 1.00 0.00 C ATOM 528 C GLY A 35 5.632 -5.175 7.622 1.00 0.00 C ATOM 529 O GLY A 35 6.305 -4.171 7.377 1.00 0.00 O ATOM 0 H GLY A 35 4.441 -3.087 7.816 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.482 -5.472 9.399 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.567 -5.642 7.914 1.00 0.00 H new ATOM 533 N SER A 36 5.980 -6.374 7.248 1.00 0.00 N ATOM 534 CA SER A 36 7.187 -6.604 6.473 1.00 0.00 C ATOM 535 C SER A 36 6.859 -6.923 5.020 1.00 0.00 C ATOM 536 O SER A 36 7.600 -6.536 4.117 1.00 0.00 O ATOM 537 CB SER A 36 7.999 -7.740 7.094 1.00 0.00 C ATOM 538 OG SER A 36 8.278 -7.480 8.463 1.00 0.00 O ATOM 0 H SER A 36 5.448 -7.217 7.464 1.00 0.00 H new ATOM 0 HA SER A 36 7.780 -5.689 6.489 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.449 -8.676 7.003 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.933 -7.865 6.547 1.00 0.00 H new ATOM 0 HG SER A 36 8.797 -8.222 8.838 1.00 0.00 H new ATOM 544 N GLY A 37 5.731 -7.595 4.797 1.00 0.00 N ATOM 545 CA GLY A 37 5.388 -8.057 3.465 1.00 0.00 C ATOM 546 C GLY A 37 6.420 -8.989 2.877 1.00 0.00 C ATOM 547 O GLY A 37 7.494 -9.208 3.443 1.00 0.00 O ATOM 0 H GLY A 37 5.048 -7.827 5.518 1.00 0.00 H new ATOM 0 HA2 GLY A 37 4.425 -8.567 3.501 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.269 -7.196 2.808 1.00 0.00 H new ATOM 551 N THR A 38 6.077 -9.576 1.754 1.00 0.00 N ATOM 552 CA THR A 38 6.965 -10.432 1.047 1.00 0.00 C ATOM 553 C THR A 38 6.545 -10.481 -0.417 1.00 0.00 C ATOM 554 O THR A 38 5.386 -10.724 -0.722 1.00 0.00 O ATOM 555 CB THR A 38 6.942 -11.828 1.682 1.00 0.00 C ATOM 556 OG1 THR A 38 7.659 -11.821 2.924 1.00 0.00 O ATOM 557 CG2 THR A 38 7.520 -12.842 0.743 1.00 0.00 C ATOM 0 H THR A 38 5.164 -9.464 1.313 1.00 0.00 H new ATOM 0 HA THR A 38 7.985 -10.053 1.102 1.00 0.00 H new ATOM 0 HB THR A 38 5.906 -12.102 1.883 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.936 -10.905 3.136 1.00 0.00 H new ATOM 0 HG21 THR A 38 7.495 -13.826 1.210 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.935 -12.862 -0.176 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.551 -12.576 0.511 1.00 0.00 H new ATOM 565 N LYS A 39 7.491 -10.235 -1.309 1.00 0.00 N ATOM 566 CA LYS A 39 7.203 -10.085 -2.735 1.00 0.00 C ATOM 567 C LYS A 39 6.683 -11.385 -3.354 1.00 0.00 C ATOM 568 O LYS A 39 6.084 -11.383 -4.428 1.00 0.00 O ATOM 569 CB LYS A 39 8.465 -9.608 -3.456 1.00 0.00 C ATOM 570 CG LYS A 39 8.273 -9.304 -4.928 1.00 0.00 C ATOM 571 CD LYS A 39 9.605 -9.033 -5.596 1.00 0.00 C ATOM 572 CE LYS A 39 9.451 -8.747 -7.077 1.00 0.00 C ATOM 573 NZ LYS A 39 10.768 -8.603 -7.748 1.00 0.00 N ATOM 0 H LYS A 39 8.478 -10.133 -1.071 1.00 0.00 H new ATOM 0 HA LYS A 39 6.412 -9.343 -2.850 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.835 -8.712 -2.958 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.237 -10.371 -3.354 1.00 0.00 H new ATOM 0 HG2 LYS A 39 7.780 -10.144 -5.417 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.620 -8.439 -5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.087 -8.184 -5.111 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.261 -9.893 -5.459 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.889 -9.554 -7.547 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.871 -7.834 -7.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.623 -8.408 -8.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.294 -7.817 -7.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.311 -9.483 -7.640 1.00 0.00 H new ATOM 587 N ALA A 40 6.894 -12.485 -2.656 1.00 0.00 N ATOM 588 CA ALA A 40 6.455 -13.791 -3.125 1.00 0.00 C ATOM 589 C ALA A 40 5.008 -14.046 -2.737 1.00 0.00 C ATOM 590 O ALA A 40 4.324 -14.867 -3.344 1.00 0.00 O ATOM 591 CB ALA A 40 7.346 -14.877 -2.549 1.00 0.00 C ATOM 0 H ALA A 40 7.371 -12.502 -1.754 1.00 0.00 H new ATOM 0 HA ALA A 40 6.527 -13.807 -4.212 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.010 -15.851 -2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.375 -14.710 -2.867 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.294 -14.851 -1.461 1.00 0.00 H new ATOM 597 N ASN A 41 4.552 -13.336 -1.717 1.00 0.00 N ATOM 598 CA ASN A 41 3.204 -13.488 -1.214 1.00 0.00 C ATOM 599 C ASN A 41 2.812 -12.273 -0.373 1.00 0.00 C ATOM 600 O ASN A 41 2.741 -12.333 0.852 1.00 0.00 O ATOM 601 CB ASN A 41 3.061 -14.815 -0.450 1.00 0.00 C ATOM 602 CG ASN A 41 4.164 -15.110 0.565 1.00 0.00 C ATOM 603 OD1 ASN A 41 4.678 -16.226 0.609 1.00 0.00 O ATOM 604 ND2 ASN A 41 4.499 -14.156 1.415 1.00 0.00 N ATOM 0 H ASN A 41 5.108 -12.641 -1.218 1.00 0.00 H new ATOM 0 HA ASN A 41 2.507 -13.532 -2.051 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.103 -14.814 0.070 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.029 -15.630 -1.174 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.201 -14.336 2.132 1.00 0.00 H new ATOM 0 HD22 ASN A 41 4.055 -13.240 1.354 1.00 0.00 H new ATOM 611 N PRO A 42 2.588 -11.134 -1.053 1.00 0.00 N ATOM 612 CA PRO A 42 2.277 -9.842 -0.410 1.00 0.00 C ATOM 613 C PRO A 42 1.081 -9.894 0.540 1.00 0.00 C ATOM 614 O PRO A 42 0.320 -10.864 0.562 1.00 0.00 O ATOM 615 CB PRO A 42 1.956 -8.935 -1.603 1.00 0.00 C ATOM 616 CG PRO A 42 2.705 -9.532 -2.739 1.00 0.00 C ATOM 617 CD PRO A 42 2.639 -11.013 -2.523 1.00 0.00 C ATOM 0 HA PRO A 42 3.103 -9.506 0.216 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.885 -8.909 -1.804 1.00 0.00 H new ATOM 0 HB3 PRO A 42 2.271 -7.908 -1.416 1.00 0.00 H new ATOM 0 HG2 PRO A 42 2.259 -9.254 -3.694 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.737 -9.183 -2.756 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.759 -11.450 -2.994 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.509 -11.520 -2.939 1.00 0.00 H new ATOM 625 N ASP A 43 0.901 -8.815 1.287 1.00 0.00 N ATOM 626 CA ASP A 43 -0.225 -8.693 2.196 1.00 0.00 C ATOM 627 C ASP A 43 -1.347 -7.975 1.478 1.00 0.00 C ATOM 628 O ASP A 43 -1.163 -6.867 0.971 1.00 0.00 O ATOM 629 CB ASP A 43 0.140 -7.924 3.469 1.00 0.00 C ATOM 630 CG ASP A 43 0.886 -8.764 4.488 1.00 0.00 C ATOM 631 OD1 ASP A 43 2.127 -8.854 4.403 1.00 0.00 O ATOM 632 OD2 ASP A 43 0.227 -9.335 5.392 1.00 0.00 O ATOM 0 H ASP A 43 1.525 -8.008 1.280 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.531 -9.695 2.498 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.752 -7.063 3.201 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.772 -7.538 3.925 1.00 0.00 H new ATOM 637 N ILE A 44 -2.496 -8.611 1.412 1.00 0.00 N ATOM 638 CA ILE A 44 -3.625 -8.054 0.695 1.00 0.00 C ATOM 639 C ILE A 44 -4.362 -7.033 1.540 1.00 0.00 C ATOM 640 O ILE A 44 -4.861 -7.343 2.623 1.00 0.00 O ATOM 641 CB ILE A 44 -4.610 -9.154 0.228 1.00 0.00 C ATOM 642 CG1 ILE A 44 -3.984 -9.962 -0.904 1.00 0.00 C ATOM 643 CG2 ILE A 44 -5.940 -8.553 -0.218 1.00 0.00 C ATOM 644 CD1 ILE A 44 -3.609 -9.109 -2.094 1.00 0.00 C ATOM 0 H ILE A 44 -2.675 -9.516 1.847 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.222 -7.558 -0.188 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.811 -9.815 1.071 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.094 -10.471 -0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.683 -10.735 -1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.610 -9.350 -0.540 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -6.392 -8.013 0.614 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.769 -7.866 -1.047 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.168 -9.738 -2.868 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.501 -8.621 -2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.887 -8.353 -1.786 1.00 0.00 H new ATOM 656 N ILE A 45 -4.429 -5.815 1.035 1.00 0.00 N ATOM 657 CA ILE A 45 -5.217 -4.773 1.661 1.00 0.00 C ATOM 658 C ILE A 45 -5.995 -4.052 0.576 1.00 0.00 C ATOM 659 O ILE A 45 -5.499 -3.857 -0.539 1.00 0.00 O ATOM 660 CB ILE A 45 -4.380 -3.732 2.466 1.00 0.00 C ATOM 661 CG1 ILE A 45 -3.471 -2.897 1.553 1.00 0.00 C ATOM 662 CG2 ILE A 45 -3.552 -4.408 3.552 1.00 0.00 C ATOM 663 CD1 ILE A 45 -2.211 -3.613 1.114 1.00 0.00 C ATOM 0 H ILE A 45 -3.943 -5.523 0.187 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.870 -5.259 2.386 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.093 -3.057 2.940 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.035 -2.601 0.668 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.193 -1.981 2.074 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.980 -3.655 4.095 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.214 -4.929 4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.868 -5.124 3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.624 -2.956 0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.623 -3.885 1.990 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.478 -4.515 0.563 1.00 0.00 H new ATOM 675 N ARG A 46 -7.222 -3.689 0.872 1.00 0.00 N ATOM 676 CA ARG A 46 -8.011 -2.923 -0.058 1.00 0.00 C ATOM 677 C ARG A 46 -8.251 -1.555 0.534 1.00 0.00 C ATOM 678 O ARG A 46 -8.798 -1.438 1.634 1.00 0.00 O ATOM 679 CB ARG A 46 -9.342 -3.618 -0.340 1.00 0.00 C ATOM 680 CG ARG A 46 -9.193 -4.966 -1.019 1.00 0.00 C ATOM 681 CD ARG A 46 -10.518 -5.707 -1.075 1.00 0.00 C ATOM 682 NE ARG A 46 -11.538 -4.988 -1.844 1.00 0.00 N ATOM 683 CZ ARG A 46 -12.838 -5.282 -1.797 1.00 0.00 C ATOM 684 NH1 ARG A 46 -13.271 -6.232 -0.974 1.00 0.00 N ATOM 685 NH2 ARG A 46 -13.704 -4.627 -2.563 1.00 0.00 N ATOM 0 H ARG A 46 -7.693 -3.913 1.749 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.476 -2.834 -1.004 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.878 -3.751 0.599 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.954 -2.970 -0.968 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.810 -4.826 -2.030 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.460 -5.567 -0.481 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.361 -6.690 -1.519 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.882 -5.869 -0.060 1.00 0.00 H new ATOM 0 HE ARG A 46 -11.238 -4.222 -2.447 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -12.610 -6.733 -0.381 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.265 -6.459 -0.935 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.376 -3.894 -3.192 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -14.697 -4.857 -2.522 1.00 0.00 H new ATOM 699 N LEU A 47 -7.851 -0.519 -0.171 1.00 0.00 N ATOM 700 CA LEU A 47 -8.048 0.819 0.327 1.00 0.00 C ATOM 701 C LEU A 47 -9.364 1.327 -0.187 1.00 0.00 C ATOM 702 O LEU A 47 -9.632 1.305 -1.382 1.00 0.00 O ATOM 703 CB LEU A 47 -6.918 1.773 -0.084 1.00 0.00 C ATOM 704 CG LEU A 47 -5.799 1.940 0.942 1.00 0.00 C ATOM 705 CD1 LEU A 47 -6.363 2.112 2.343 1.00 0.00 C ATOM 706 CD2 LEU A 47 -4.852 0.767 0.890 1.00 0.00 C ATOM 0 H LEU A 47 -7.393 -0.578 -1.080 1.00 0.00 H new ATOM 0 HA LEU A 47 -8.044 0.783 1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -6.483 1.414 -1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -7.349 2.753 -0.290 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.243 2.843 0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -5.544 2.229 3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -6.999 2.997 2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -6.951 1.234 2.609 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.062 0.904 1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.397 -0.151 1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.411 0.699 -0.105 1.00 0.00 H new ATOM 718 N ARG A 48 -10.179 1.793 0.709 1.00 0.00 N ATOM 719 CA ARG A 48 -11.480 2.270 0.345 1.00 0.00 C ATOM 720 C ARG A 48 -11.526 3.740 0.674 1.00 0.00 C ATOM 721 O ARG A 48 -11.685 4.110 1.840 1.00 0.00 O ATOM 722 CB ARG A 48 -12.566 1.495 1.095 1.00 0.00 C ATOM 723 CG ARG A 48 -13.959 2.075 0.902 1.00 0.00 C ATOM 724 CD ARG A 48 -14.988 1.376 1.773 1.00 0.00 C ATOM 725 NE ARG A 48 -16.331 1.913 1.564 1.00 0.00 N ATOM 726 CZ ARG A 48 -16.857 2.918 2.270 1.00 0.00 C ATOM 727 NH1 ARG A 48 -16.167 3.485 3.251 1.00 0.00 N ATOM 728 NH2 ARG A 48 -18.077 3.358 1.992 1.00 0.00 N ATOM 0 H ARG A 48 -9.965 1.854 1.704 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.666 2.120 -0.718 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -12.561 0.458 0.758 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -12.328 1.486 2.159 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -13.945 3.139 1.139 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -14.248 1.985 -0.145 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.985 0.308 1.553 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -14.712 1.486 2.822 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.904 1.493 0.832 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -15.228 3.154 3.471 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -16.576 4.252 3.785 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.615 2.929 1.239 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -18.478 4.125 2.532 1.00 0.00 H new ATOM 742 N GLU A 49 -11.343 4.592 -0.327 1.00 0.00 N ATOM 743 CA GLU A 49 -11.204 6.010 -0.094 1.00 0.00 C ATOM 744 C GLU A 49 -12.537 6.573 0.333 1.00 0.00 C ATOM 745 O GLU A 49 -13.490 6.551 -0.440 1.00 0.00 O ATOM 746 CB GLU A 49 -10.734 6.660 -1.398 1.00 0.00 C ATOM 747 CG GLU A 49 -10.328 8.118 -1.291 1.00 0.00 C ATOM 748 CD GLU A 49 -9.769 8.641 -2.602 1.00 0.00 C ATOM 749 OE1 GLU A 49 -9.754 7.880 -3.596 1.00 0.00 O ATOM 750 OE2 GLU A 49 -9.341 9.811 -2.649 1.00 0.00 O ATOM 0 H GLU A 49 -11.288 4.317 -1.308 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.478 6.209 0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.887 6.092 -1.782 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.534 6.576 -2.134 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.191 8.716 -0.999 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.581 8.231 -0.505 1.00 0.00 H new ATOM 757 N ARG A 50 -12.610 7.001 1.585 1.00 0.00 N ATOM 758 CA ARG A 50 -13.816 7.608 2.153 1.00 0.00 C ATOM 759 C ARG A 50 -14.429 8.685 1.250 1.00 0.00 C ATOM 760 O ARG A 50 -15.579 9.080 1.447 1.00 0.00 O ATOM 761 CB ARG A 50 -13.503 8.203 3.528 1.00 0.00 C ATOM 762 CG ARG A 50 -12.428 7.444 4.294 1.00 0.00 C ATOM 763 CD ARG A 50 -12.239 7.991 5.700 1.00 0.00 C ATOM 764 NE ARG A 50 -13.379 7.695 6.565 1.00 0.00 N ATOM 765 CZ ARG A 50 -13.568 8.237 7.768 1.00 0.00 C ATOM 766 NH1 ARG A 50 -12.763 9.191 8.215 1.00 0.00 N ATOM 767 NH2 ARG A 50 -14.587 7.839 8.513 1.00 0.00 N ATOM 0 H ARG A 50 -11.833 6.939 2.243 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.555 6.812 2.245 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.185 9.238 3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.416 8.221 4.123 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.697 6.389 4.348 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -11.485 7.504 3.751 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -11.335 7.565 6.135 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -12.092 9.070 5.652 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.075 7.031 6.226 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -11.989 9.518 7.637 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -12.918 9.598 9.137 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.223 7.121 8.166 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.736 8.250 9.434 1.00 0.00 H new ATOM 781 N GLY A 51 -13.670 9.156 0.269 1.00 0.00 N ATOM 782 CA GLY A 51 -14.191 10.129 -0.666 1.00 0.00 C ATOM 783 C GLY A 51 -14.841 9.485 -1.887 1.00 0.00 C ATOM 784 O GLY A 51 -15.861 9.970 -2.380 1.00 0.00 O ATOM 0 H GLY A 51 -12.702 8.880 0.106 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -14.923 10.758 -0.159 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -13.382 10.782 -0.993 1.00 0.00 H new ATOM 788 N THR A 52 -14.257 8.395 -2.382 1.00 0.00 N ATOM 789 CA THR A 52 -14.775 7.730 -3.571 1.00 0.00 C ATOM 790 C THR A 52 -15.729 6.599 -3.209 1.00 0.00 C ATOM 791 O THR A 52 -15.788 6.160 -2.061 1.00 0.00 O ATOM 792 CB THR A 52 -13.624 7.146 -4.414 1.00 0.00 C ATOM 793 OG1 THR A 52 -12.868 6.211 -3.630 1.00 0.00 O ATOM 794 CG2 THR A 52 -12.706 8.246 -4.913 1.00 0.00 C ATOM 0 H THR A 52 -13.429 7.957 -1.979 1.00 0.00 H new ATOM 0 HA THR A 52 -15.314 8.484 -4.145 1.00 0.00 H new ATOM 0 HB THR A 52 -14.058 6.636 -5.274 1.00 0.00 H new ATOM 0 HG1 THR A 52 -13.055 5.300 -3.937 1.00 0.00 H new ATOM 0 HG21 THR A 52 -11.902 7.808 -5.505 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.274 8.942 -5.530 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.281 8.779 -4.062 1.00 0.00 H new ATOM 802 N LYS A 53 -16.481 6.135 -4.198 1.00 0.00 N ATOM 803 CA LYS A 53 -17.424 5.044 -4.001 1.00 0.00 C ATOM 804 C LYS A 53 -16.822 3.727 -4.469 1.00 0.00 C ATOM 805 O LYS A 53 -17.514 2.718 -4.545 1.00 0.00 O ATOM 806 CB LYS A 53 -18.719 5.300 -4.778 1.00 0.00 C ATOM 807 CG LYS A 53 -19.459 6.568 -4.382 1.00 0.00 C ATOM 808 CD LYS A 53 -19.963 6.507 -2.952 1.00 0.00 C ATOM 809 CE LYS A 53 -20.919 7.650 -2.650 1.00 0.00 C ATOM 810 NZ LYS A 53 -22.174 7.549 -3.441 1.00 0.00 N ATOM 0 H LYS A 53 -16.455 6.500 -5.150 1.00 0.00 H new ATOM 0 HA LYS A 53 -17.646 4.986 -2.935 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -18.485 5.350 -5.841 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -19.385 4.448 -4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -18.796 7.426 -4.497 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -20.301 6.723 -5.057 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -20.467 5.555 -2.783 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -19.118 6.547 -2.265 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -21.159 7.650 -1.587 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -20.429 8.599 -2.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -22.913 8.129 -2.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -22.003 7.890 -4.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -22.485 6.557 -3.473 1.00 0.00 H new ATOM 824 N LYS A 54 -15.541 3.743 -4.813 1.00 0.00 N ATOM 825 CA LYS A 54 -14.881 2.548 -5.324 1.00 0.00 C ATOM 826 C LYS A 54 -13.630 2.213 -4.506 1.00 0.00 C ATOM 827 O LYS A 54 -12.955 3.097 -3.976 1.00 0.00 O ATOM 828 CB LYS A 54 -14.520 2.746 -6.799 1.00 0.00 C ATOM 829 CG LYS A 54 -15.687 3.243 -7.640 1.00 0.00 C ATOM 830 CD LYS A 54 -15.326 3.335 -9.112 1.00 0.00 C ATOM 831 CE LYS A 54 -15.197 1.959 -9.745 1.00 0.00 C ATOM 832 NZ LYS A 54 -14.943 2.046 -11.205 1.00 0.00 N ATOM 0 H LYS A 54 -14.941 4.565 -4.748 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.570 1.708 -5.234 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -13.698 3.458 -6.873 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -14.161 1.802 -7.209 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -16.536 2.571 -7.516 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -16.001 4.223 -7.281 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -16.089 3.908 -9.639 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.387 3.877 -9.223 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.384 1.413 -9.266 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -16.110 1.390 -9.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.861 1.088 -11.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -15.731 2.545 -11.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -14.059 2.567 -11.373 1.00 0.00 H new ATOM 846 N VAL A 55 -13.341 0.921 -4.407 1.00 0.00 N ATOM 847 CA VAL A 55 -12.225 0.427 -3.608 1.00 0.00 C ATOM 848 C VAL A 55 -10.960 0.267 -4.444 1.00 0.00 C ATOM 849 O VAL A 55 -10.987 -0.255 -5.559 1.00 0.00 O ATOM 850 CB VAL A 55 -12.582 -0.918 -2.935 1.00 0.00 C ATOM 851 CG1 VAL A 55 -11.339 -1.630 -2.418 1.00 0.00 C ATOM 852 CG2 VAL A 55 -13.560 -0.690 -1.793 1.00 0.00 C ATOM 0 H VAL A 55 -13.872 0.188 -4.877 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.031 1.171 -2.836 1.00 0.00 H new ATOM 0 HB VAL A 55 -13.047 -1.554 -3.689 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -11.627 -2.572 -1.951 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -10.662 -1.829 -3.249 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.837 -0.999 -1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -13.804 -1.645 -1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -13.108 -0.030 -1.053 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -14.470 -0.232 -2.180 1.00 0.00 H new ATOM 862 N HIS A 56 -9.855 0.717 -3.879 1.00 0.00 N ATOM 863 CA HIS A 56 -8.561 0.639 -4.516 1.00 0.00 C ATOM 864 C HIS A 56 -7.740 -0.486 -3.879 1.00 0.00 C ATOM 865 O HIS A 56 -7.167 -0.310 -2.809 1.00 0.00 O ATOM 866 CB HIS A 56 -7.819 1.980 -4.355 1.00 0.00 C ATOM 867 CG HIS A 56 -8.586 3.213 -4.788 1.00 0.00 C ATOM 868 ND1 HIS A 56 -8.328 3.886 -5.965 1.00 0.00 N ATOM 869 CD2 HIS A 56 -9.577 3.917 -4.174 1.00 0.00 C ATOM 870 CE1 HIS A 56 -9.124 4.939 -6.055 1.00 0.00 C ATOM 871 NE2 HIS A 56 -9.890 4.983 -4.981 1.00 0.00 N ATOM 0 H HIS A 56 -9.834 1.151 -2.956 1.00 0.00 H new ATOM 0 HA HIS A 56 -8.695 0.430 -5.577 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -7.542 2.097 -3.307 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -6.892 1.932 -4.927 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -10.034 3.680 -3.225 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -9.144 5.645 -6.872 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -10.597 5.691 -4.783 1.00 0.00 H new ATOM 880 N VAL A 57 -7.685 -1.640 -4.540 1.00 0.00 N ATOM 881 CA VAL A 57 -6.988 -2.808 -3.991 1.00 0.00 C ATOM 882 C VAL A 57 -5.530 -2.889 -4.468 1.00 0.00 C ATOM 883 O VAL A 57 -5.233 -2.666 -5.650 1.00 0.00 O ATOM 884 CB VAL A 57 -7.748 -4.128 -4.312 1.00 0.00 C ATOM 885 CG1 VAL A 57 -8.325 -4.115 -5.719 1.00 0.00 C ATOM 886 CG2 VAL A 57 -6.849 -5.344 -4.129 1.00 0.00 C ATOM 0 H VAL A 57 -8.112 -1.794 -5.453 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.971 -2.681 -2.909 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.574 -4.197 -3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.848 -5.053 -5.906 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.023 -3.284 -5.818 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.518 -3.999 -6.442 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.410 -6.249 -4.361 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.992 -5.267 -4.798 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.501 -5.387 -3.097 1.00 0.00 H new ATOM 896 N PHE A 58 -4.625 -3.169 -3.520 1.00 0.00 N ATOM 897 CA PHE A 58 -3.192 -3.322 -3.799 1.00 0.00 C ATOM 898 C PHE A 58 -2.607 -4.435 -2.935 1.00 0.00 C ATOM 899 O PHE A 58 -2.680 -4.351 -1.716 1.00 0.00 O ATOM 900 CB PHE A 58 -2.380 -2.077 -3.406 1.00 0.00 C ATOM 901 CG PHE A 58 -2.789 -0.752 -3.962 1.00 0.00 C ATOM 902 CD1 PHE A 58 -4.011 -0.184 -3.639 1.00 0.00 C ATOM 903 CD2 PHE A 58 -1.903 -0.033 -4.742 1.00 0.00 C ATOM 904 CE1 PHE A 58 -4.343 1.066 -4.101 1.00 0.00 C ATOM 905 CE2 PHE A 58 -2.232 1.224 -5.192 1.00 0.00 C ATOM 906 CZ PHE A 58 -3.452 1.770 -4.877 1.00 0.00 C ATOM 0 H PHE A 58 -4.867 -3.296 -2.537 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.124 -3.517 -4.869 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -2.398 -2.000 -2.319 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.344 -2.252 -3.696 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.708 -0.729 -3.019 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.946 -0.461 -5.000 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.303 1.496 -3.855 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.530 1.782 -5.794 1.00 0.00 H new ATOM 0 HZ PHE A 58 -3.712 2.754 -5.239 1.00 0.00 H new ATOM 916 N LYS A 59 -2.070 -5.492 -3.523 1.00 0.00 N ATOM 917 CA LYS A 59 -1.125 -6.317 -2.757 1.00 0.00 C ATOM 918 C LYS A 59 0.176 -5.573 -2.449 1.00 0.00 C ATOM 919 O LYS A 59 0.933 -5.204 -3.342 1.00 0.00 O ATOM 920 CB LYS A 59 -0.832 -7.616 -3.508 1.00 0.00 C ATOM 921 CG LYS A 59 -0.434 -7.415 -4.961 1.00 0.00 C ATOM 922 CD LYS A 59 -0.328 -8.739 -5.694 1.00 0.00 C ATOM 923 CE LYS A 59 -1.629 -9.517 -5.614 1.00 0.00 C ATOM 924 NZ LYS A 59 -1.594 -10.748 -6.441 1.00 0.00 N ATOM 0 H LYS A 59 -2.253 -5.796 -4.479 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.595 -6.550 -1.802 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.032 -8.148 -2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.716 -8.253 -3.469 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.169 -6.781 -5.457 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.522 -6.893 -5.009 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.072 -8.560 -6.738 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.480 -9.332 -5.265 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.828 -9.783 -4.576 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.451 -8.882 -5.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.502 -11.248 -6.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.430 -10.493 -7.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.826 -11.367 -6.111 1.00 0.00 H new ATOM 938 N ALA A 60 0.388 -5.335 -1.160 1.00 0.00 N ATOM 939 CA ALA A 60 1.562 -4.620 -0.664 1.00 0.00 C ATOM 940 C ALA A 60 2.607 -5.561 -0.057 1.00 0.00 C ATOM 941 O ALA A 60 2.273 -6.627 0.459 1.00 0.00 O ATOM 942 CB ALA A 60 1.118 -3.603 0.370 1.00 0.00 C ATOM 0 H ALA A 60 -0.252 -5.633 -0.424 1.00 0.00 H new ATOM 0 HA ALA A 60 2.036 -4.124 -1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.987 -3.064 0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.424 -2.898 -0.088 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.623 -4.115 1.195 1.00 0.00 H new ATOM 948 N TRP A 61 3.867 -5.145 -0.115 1.00 0.00 N ATOM 949 CA TRP A 61 4.977 -5.885 0.487 1.00 0.00 C ATOM 950 C TRP A 61 6.162 -4.940 0.648 1.00 0.00 C ATOM 951 O TRP A 61 6.023 -3.747 0.435 1.00 0.00 O ATOM 952 CB TRP A 61 5.368 -7.109 -0.368 1.00 0.00 C ATOM 953 CG TRP A 61 6.012 -6.775 -1.687 1.00 0.00 C ATOM 954 CD1 TRP A 61 7.352 -6.753 -1.961 1.00 0.00 C ATOM 955 CD2 TRP A 61 5.352 -6.427 -2.909 1.00 0.00 C ATOM 956 NE1 TRP A 61 7.561 -6.416 -3.272 1.00 0.00 N ATOM 957 CE2 TRP A 61 6.352 -6.206 -3.874 1.00 0.00 C ATOM 958 CE3 TRP A 61 4.015 -6.279 -3.283 1.00 0.00 C ATOM 959 CZ2 TRP A 61 6.059 -5.846 -5.184 1.00 0.00 C ATOM 960 CZ3 TRP A 61 3.725 -5.921 -4.585 1.00 0.00 C ATOM 961 CH2 TRP A 61 4.742 -5.706 -5.522 1.00 0.00 C ATOM 0 H TRP A 61 4.151 -4.283 -0.581 1.00 0.00 H new ATOM 0 HA TRP A 61 4.668 -6.262 1.462 1.00 0.00 H new ATOM 0 HB2 TRP A 61 6.052 -7.733 0.207 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.474 -7.704 -0.556 1.00 0.00 H new ATOM 0 HD1 TRP A 61 8.132 -6.970 -1.247 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.471 -6.335 -3.725 1.00 0.00 H new ATOM 0 HE3 TRP A 61 3.222 -6.441 -2.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 6.843 -5.683 -5.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 2.694 -5.805 -4.886 1.00 0.00 H new ATOM 0 HH2 TRP A 61 4.481 -5.424 -6.531 1.00 0.00 H new ATOM 972 N LYS A 62 7.318 -5.453 1.040 1.00 0.00 N ATOM 973 CA LYS A 62 8.521 -4.629 1.078 1.00 0.00 C ATOM 974 C LYS A 62 9.705 -5.386 0.516 1.00 0.00 C ATOM 975 O LYS A 62 9.908 -6.565 0.812 1.00 0.00 O ATOM 976 CB LYS A 62 8.840 -4.124 2.494 1.00 0.00 C ATOM 977 CG LYS A 62 8.009 -2.922 2.921 1.00 0.00 C ATOM 978 CD LYS A 62 8.468 -2.339 4.246 1.00 0.00 C ATOM 979 CE LYS A 62 8.498 -3.387 5.336 1.00 0.00 C ATOM 980 NZ LYS A 62 8.931 -2.814 6.638 1.00 0.00 N ATOM 0 H LYS A 62 7.451 -6.421 1.333 1.00 0.00 H new ATOM 0 HA LYS A 62 8.325 -3.755 0.456 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.679 -4.936 3.204 1.00 0.00 H new ATOM 0 HB3 LYS A 62 9.896 -3.860 2.546 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.065 -2.153 2.150 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.963 -3.217 3.001 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.462 -1.907 4.129 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.800 -1.529 4.538 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.507 -3.828 5.444 1.00 0.00 H new ATOM 0 HE3 LYS A 62 9.175 -4.191 5.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.855 -3.212 6.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.010 -1.780 6.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.231 -3.049 7.371 1.00 0.00 H new ATOM 994 N GLU A 63 10.475 -4.692 -0.298 1.00 0.00 N ATOM 995 CA GLU A 63 11.644 -5.262 -0.939 1.00 0.00 C ATOM 996 C GLU A 63 12.790 -4.292 -0.906 1.00 0.00 C ATOM 997 O GLU A 63 12.653 -3.135 -1.291 1.00 0.00 O ATOM 998 CB GLU A 63 11.357 -5.626 -2.384 1.00 0.00 C ATOM 999 CG GLU A 63 10.835 -7.022 -2.546 1.00 0.00 C ATOM 1000 CD GLU A 63 11.915 -8.071 -2.396 1.00 0.00 C ATOM 1001 OE1 GLU A 63 12.887 -8.047 -3.178 1.00 0.00 O ATOM 1002 OE2 GLU A 63 11.793 -8.929 -1.498 1.00 0.00 O ATOM 0 H GLU A 63 10.307 -3.714 -0.534 1.00 0.00 H new ATOM 0 HA GLU A 63 11.906 -6.165 -0.388 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.631 -4.923 -2.792 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.270 -5.516 -2.969 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.055 -7.202 -1.806 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.372 -7.121 -3.528 1.00 0.00 H new ATOM 1009 N ILE A 64 13.914 -4.771 -0.455 1.00 0.00 N ATOM 1010 CA ILE A 64 15.109 -3.950 -0.403 1.00 0.00 C ATOM 1011 C ILE A 64 16.001 -4.271 -1.573 1.00 0.00 C ATOM 1012 O ILE A 64 16.587 -5.355 -1.647 1.00 0.00 O ATOM 1013 CB ILE A 64 15.883 -4.119 0.918 1.00 0.00 C ATOM 1014 CG1 ILE A 64 17.280 -3.505 0.813 1.00 0.00 C ATOM 1015 CG2 ILE A 64 15.945 -5.581 1.334 1.00 0.00 C ATOM 1016 CD1 ILE A 64 18.084 -3.594 2.091 1.00 0.00 C ATOM 0 H ILE A 64 14.037 -5.725 -0.116 1.00 0.00 H new ATOM 0 HA ILE A 64 14.791 -2.909 -0.455 1.00 0.00 H new ATOM 0 HB ILE A 64 15.344 -3.582 1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 64 17.828 -4.006 0.015 1.00 0.00 H new ATOM 0 HG13 ILE A 64 17.186 -2.458 0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 64 16.497 -5.670 2.270 1.00 0.00 H new ATOM 0 HG22 ILE A 64 14.934 -5.963 1.472 1.00 0.00 H new ATOM 0 HG23 ILE A 64 16.449 -6.159 0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 64 19.062 -3.138 1.938 1.00 0.00 H new ATOM 0 HD12 ILE A 64 17.559 -3.068 2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 64 18.211 -4.640 2.369 1.00 0.00 H new ATOM 1028 N VAL A 65 16.098 -3.355 -2.514 1.00 0.00 N ATOM 1029 CA VAL A 65 16.910 -3.593 -3.678 1.00 0.00 C ATOM 1030 C VAL A 65 17.697 -2.350 -4.035 1.00 0.00 C ATOM 1031 O VAL A 65 17.251 -1.218 -3.831 1.00 0.00 O ATOM 1032 CB VAL A 65 16.083 -4.032 -4.908 1.00 0.00 C ATOM 1033 CG1 VAL A 65 15.364 -5.350 -4.649 1.00 0.00 C ATOM 1034 CG2 VAL A 65 15.084 -2.956 -5.308 1.00 0.00 C ATOM 0 H VAL A 65 15.628 -2.450 -2.493 1.00 0.00 H new ATOM 0 HA VAL A 65 17.584 -4.410 -3.419 1.00 0.00 H new ATOM 0 HB VAL A 65 16.780 -4.180 -5.733 1.00 0.00 H new ATOM 0 HG11 VAL A 65 14.791 -5.632 -5.533 1.00 0.00 H new ATOM 0 HG12 VAL A 65 16.096 -6.127 -4.428 1.00 0.00 H new ATOM 0 HG13 VAL A 65 14.689 -5.236 -3.800 1.00 0.00 H new ATOM 0 HG21 VAL A 65 14.516 -3.291 -6.176 1.00 0.00 H new ATOM 0 HG22 VAL A 65 14.402 -2.766 -4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 65 15.617 -2.038 -5.556 1.00 0.00 H new ATOM 1044 N ASP A 66 18.891 -2.594 -4.511 1.00 0.00 N ATOM 1045 CA ASP A 66 19.761 -1.560 -5.023 1.00 0.00 C ATOM 1046 C ASP A 66 19.271 -1.099 -6.396 1.00 0.00 C ATOM 1047 O ASP A 66 19.426 -1.807 -7.398 1.00 0.00 O ATOM 1048 CB ASP A 66 21.193 -2.097 -5.094 1.00 0.00 C ATOM 1049 CG ASP A 66 22.192 -1.110 -5.666 1.00 0.00 C ATOM 1050 OD1 ASP A 66 22.700 -0.258 -4.908 1.00 0.00 O ATOM 1051 OD2 ASP A 66 22.510 -1.220 -6.867 1.00 0.00 O ATOM 0 H ASP A 66 19.295 -3.530 -4.556 1.00 0.00 H new ATOM 0 HA ASP A 66 19.747 -0.697 -4.357 1.00 0.00 H new ATOM 0 HB2 ASP A 66 21.513 -2.384 -4.092 1.00 0.00 H new ATOM 0 HB3 ASP A 66 21.202 -3.001 -5.702 1.00 0.00 H new ATOM 1056 N ALA A 67 18.638 0.066 -6.410 1.00 0.00 N ATOM 1057 CA ALA A 67 18.051 0.614 -7.616 1.00 0.00 C ATOM 1058 C ALA A 67 19.122 1.067 -8.618 1.00 0.00 C ATOM 1059 O ALA A 67 20.079 1.757 -8.257 1.00 0.00 O ATOM 1060 CB ALA A 67 17.141 1.755 -7.242 1.00 0.00 C ATOM 0 H ALA A 67 18.519 0.654 -5.585 1.00 0.00 H new ATOM 0 HA ALA A 67 17.473 -0.167 -8.111 1.00 0.00 H new ATOM 0 HB1 ALA A 67 16.694 2.174 -8.143 1.00 0.00 H new ATOM 0 HB2 ALA A 67 16.354 1.391 -6.582 1.00 0.00 H new ATOM 0 HB3 ALA A 67 17.716 2.526 -6.730 1.00 0.00 H new ATOM 1066 N PRO A 68 18.951 0.697 -9.901 1.00 0.00 N ATOM 1067 CA PRO A 68 19.917 0.945 -10.963 1.00 0.00 C ATOM 1068 C PRO A 68 19.625 2.209 -11.761 1.00 0.00 C ATOM 1069 O PRO A 68 18.933 3.100 -11.293 1.00 0.00 O ATOM 1070 CB PRO A 68 19.744 -0.299 -11.839 1.00 0.00 C ATOM 1071 CG PRO A 68 18.335 -0.772 -11.607 1.00 0.00 C ATOM 1072 CD PRO A 68 17.779 0.000 -10.434 1.00 0.00 C ATOM 0 HA PRO A 68 20.925 1.104 -10.581 1.00 0.00 H new ATOM 0 HB2 PRO A 68 19.909 -0.063 -12.890 1.00 0.00 H new ATOM 0 HB3 PRO A 68 20.465 -1.071 -11.569 1.00 0.00 H new ATOM 0 HG2 PRO A 68 17.726 -0.609 -12.496 1.00 0.00 H new ATOM 0 HG3 PRO A 68 18.320 -1.842 -11.402 1.00 0.00 H new ATOM 0 HD2 PRO A 68 17.003 0.699 -10.745 1.00 0.00 H new ATOM 0 HD3 PRO A 68 17.333 -0.662 -9.692 1.00 0.00 H new ATOM 1080 N LYS A 69 20.186 2.289 -12.958 1.00 0.00 N ATOM 1081 CA LYS A 69 19.943 3.418 -13.856 1.00 0.00 C ATOM 1082 C LYS A 69 18.443 3.604 -14.080 1.00 0.00 C ATOM 1083 O LYS A 69 17.889 4.677 -13.840 1.00 0.00 O ATOM 1084 CB LYS A 69 20.632 3.183 -15.205 1.00 0.00 C ATOM 1085 CG LYS A 69 22.064 2.673 -15.100 1.00 0.00 C ATOM 1086 CD LYS A 69 22.962 3.637 -14.345 1.00 0.00 C ATOM 1087 CE LYS A 69 24.395 3.121 -14.279 1.00 0.00 C ATOM 1088 NZ LYS A 69 24.997 2.959 -15.632 1.00 0.00 N ATOM 0 H LYS A 69 20.817 1.583 -13.336 1.00 0.00 H new ATOM 0 HA LYS A 69 20.352 4.316 -13.394 1.00 0.00 H new ATOM 0 HB2 LYS A 69 20.045 2.466 -15.779 1.00 0.00 H new ATOM 0 HB3 LYS A 69 20.632 4.117 -15.767 1.00 0.00 H new ATOM 0 HG2 LYS A 69 22.068 1.706 -14.597 1.00 0.00 H new ATOM 0 HG3 LYS A 69 22.465 2.513 -16.101 1.00 0.00 H new ATOM 0 HD2 LYS A 69 22.946 4.611 -14.834 1.00 0.00 H new ATOM 0 HD3 LYS A 69 22.578 3.781 -13.335 1.00 0.00 H new ATOM 0 HE2 LYS A 69 25.002 3.812 -13.694 1.00 0.00 H new ATOM 0 HE3 LYS A 69 24.411 2.163 -13.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 26.028 2.856 -15.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 24.602 2.112 -16.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 24.781 3.796 -16.210 1.00 0.00 H new ATOM 1102 N ASN A 70 17.804 2.537 -14.549 1.00 0.00 N ATOM 1103 CA ASN A 70 16.358 2.505 -14.787 1.00 0.00 C ATOM 1104 C ASN A 70 15.537 2.520 -13.482 1.00 0.00 C ATOM 1105 O ASN A 70 14.495 1.871 -13.386 1.00 0.00 O ATOM 1106 CB ASN A 70 15.995 1.279 -15.638 1.00 0.00 C ATOM 1107 CG ASN A 70 14.597 1.366 -16.237 1.00 0.00 C ATOM 1108 OD1 ASN A 70 14.080 2.456 -16.497 1.00 0.00 O ATOM 1109 ND2 ASN A 70 13.977 0.220 -16.470 1.00 0.00 N ATOM 0 H ASN A 70 18.275 1.662 -14.778 1.00 0.00 H new ATOM 0 HA ASN A 70 16.099 3.416 -15.327 1.00 0.00 H new ATOM 0 HB2 ASN A 70 16.723 1.173 -16.442 1.00 0.00 H new ATOM 0 HB3 ASN A 70 16.066 0.382 -15.023 1.00 0.00 H new ATOM 0 HD21 ASN A 70 13.042 0.220 -16.877 1.00 0.00 H new ATOM 0 HD22 ASN A 70 14.435 -0.663 -16.243 1.00 0.00 H new ATOM 1116 N ARG A 71 16.002 3.249 -12.474 1.00 0.00 N ATOM 1117 CA ARG A 71 15.268 3.318 -11.218 1.00 0.00 C ATOM 1118 C ARG A 71 14.357 4.540 -11.226 1.00 0.00 C ATOM 1119 O ARG A 71 14.697 5.571 -11.817 1.00 0.00 O ATOM 1120 CB ARG A 71 16.211 3.346 -10.011 1.00 0.00 C ATOM 1121 CG ARG A 71 16.968 4.650 -9.778 1.00 0.00 C ATOM 1122 CD ARG A 71 18.002 4.457 -8.672 1.00 0.00 C ATOM 1123 NE ARG A 71 18.790 5.648 -8.384 1.00 0.00 N ATOM 1124 CZ ARG A 71 20.090 5.632 -8.115 1.00 0.00 C ATOM 1125 NH1 ARG A 71 20.749 4.481 -8.074 1.00 0.00 N ATOM 1126 NH2 ARG A 71 20.725 6.773 -7.878 1.00 0.00 N ATOM 0 H ARG A 71 16.866 3.790 -12.500 1.00 0.00 H new ATOM 0 HA ARG A 71 14.660 2.418 -11.125 1.00 0.00 H new ATOM 0 HB2 ARG A 71 15.629 3.123 -9.117 1.00 0.00 H new ATOM 0 HB3 ARG A 71 16.939 2.543 -10.126 1.00 0.00 H new ATOM 0 HG2 ARG A 71 17.461 4.965 -10.698 1.00 0.00 H new ATOM 0 HG3 ARG A 71 16.271 5.442 -9.503 1.00 0.00 H new ATOM 0 HD2 ARG A 71 17.491 4.143 -7.762 1.00 0.00 H new ATOM 0 HD3 ARG A 71 18.675 3.648 -8.955 1.00 0.00 H new ATOM 0 HE ARG A 71 18.314 6.550 -8.389 1.00 0.00 H new ATOM 0 HH11 ARG A 71 20.257 3.605 -8.249 1.00 0.00 H new ATOM 0 HH12 ARG A 71 21.748 4.472 -7.867 1.00 0.00 H new ATOM 0 HH21 ARG A 71 20.214 7.656 -7.903 1.00 0.00 H new ATOM 0 HH22 ARG A 71 21.724 6.767 -7.671 1.00 0.00 H new ATOM 1140 N PRO A 72 13.165 4.423 -10.613 1.00 0.00 N ATOM 1141 CA PRO A 72 12.200 5.523 -10.529 1.00 0.00 C ATOM 1142 C PRO A 72 12.772 6.732 -9.825 1.00 0.00 C ATOM 1143 O PRO A 72 13.729 6.633 -9.061 1.00 0.00 O ATOM 1144 CB PRO A 72 11.052 4.933 -9.706 1.00 0.00 C ATOM 1145 CG PRO A 72 11.182 3.463 -9.886 1.00 0.00 C ATOM 1146 CD PRO A 72 12.657 3.208 -9.956 1.00 0.00 C ATOM 0 HA PRO A 72 11.901 5.874 -11.517 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.132 5.213 -8.656 1.00 0.00 H new ATOM 0 HB3 PRO A 72 10.085 5.292 -10.059 1.00 0.00 H new ATOM 0 HG2 PRO A 72 10.727 2.922 -9.056 1.00 0.00 H new ATOM 0 HG3 PRO A 72 10.681 3.131 -10.795 1.00 0.00 H new ATOM 0 HD2 PRO A 72 13.092 3.071 -8.966 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.886 2.311 -10.531 1.00 0.00 H new ATOM 1154 N ALA A 73 12.148 7.864 -10.070 1.00 0.00 N ATOM 1155 CA ALA A 73 12.609 9.133 -9.550 1.00 0.00 C ATOM 1156 C ALA A 73 12.356 9.266 -8.052 1.00 0.00 C ATOM 1157 O ALA A 73 12.540 10.339 -7.476 1.00 0.00 O ATOM 1158 CB ALA A 73 11.924 10.245 -10.302 1.00 0.00 C ATOM 0 H ALA A 73 11.303 7.930 -10.638 1.00 0.00 H new ATOM 0 HA ALA A 73 13.688 9.193 -9.692 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.264 11.207 -9.918 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.167 10.171 -11.362 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.845 10.163 -10.170 1.00 0.00 H new ATOM 1164 N TRP A 74 11.928 8.181 -7.425 1.00 0.00 N ATOM 1165 CA TRP A 74 11.733 8.168 -5.990 1.00 0.00 C ATOM 1166 C TRP A 74 12.582 7.081 -5.357 1.00 0.00 C ATOM 1167 O TRP A 74 13.087 7.245 -4.248 1.00 0.00 O ATOM 1168 CB TRP A 74 10.254 7.949 -5.642 1.00 0.00 C ATOM 1169 CG TRP A 74 9.598 6.792 -6.357 1.00 0.00 C ATOM 1170 CD1 TRP A 74 8.916 6.848 -7.543 1.00 0.00 C ATOM 1171 CD2 TRP A 74 9.543 5.414 -5.936 1.00 0.00 C ATOM 1172 NE1 TRP A 74 8.434 5.607 -7.873 1.00 0.00 N ATOM 1173 CE2 TRP A 74 8.805 4.712 -6.909 1.00 0.00 C ATOM 1174 CE3 TRP A 74 10.041 4.702 -4.834 1.00 0.00 C ATOM 1175 CZ2 TRP A 74 8.550 3.348 -6.815 1.00 0.00 C ATOM 1176 CZ3 TRP A 74 9.787 3.349 -4.747 1.00 0.00 C ATOM 1177 CH2 TRP A 74 9.046 2.685 -5.732 1.00 0.00 C ATOM 0 H TRP A 74 11.710 7.300 -7.890 1.00 0.00 H new ATOM 0 HA TRP A 74 12.040 9.136 -5.595 1.00 0.00 H new ATOM 0 HB2 TRP A 74 10.168 7.789 -4.567 1.00 0.00 H new ATOM 0 HB3 TRP A 74 9.702 8.860 -5.873 1.00 0.00 H new ATOM 0 HD1 TRP A 74 8.777 7.741 -8.134 1.00 0.00 H new ATOM 0 HE1 TRP A 74 7.886 5.387 -8.705 1.00 0.00 H new ATOM 0 HE3 TRP A 74 10.613 5.204 -4.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 7.979 2.832 -7.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 10.167 2.792 -3.904 1.00 0.00 H new ATOM 0 HH2 TRP A 74 8.864 1.625 -5.632 1.00 0.00 H new ATOM 1188 N MET A 75 12.714 5.956 -6.052 1.00 0.00 N ATOM 1189 CA MET A 75 13.569 4.874 -5.587 1.00 0.00 C ATOM 1190 C MET A 75 15.046 5.214 -5.728 1.00 0.00 C ATOM 1191 O MET A 75 15.552 5.379 -6.836 1.00 0.00 O ATOM 1192 CB MET A 75 13.257 3.597 -6.367 1.00 0.00 C ATOM 1193 CG MET A 75 13.702 2.341 -5.651 1.00 0.00 C ATOM 1194 SD MET A 75 13.511 0.848 -6.648 1.00 0.00 S ATOM 1195 CE MET A 75 11.734 0.780 -6.842 1.00 0.00 C ATOM 0 H MET A 75 12.241 5.772 -6.937 1.00 0.00 H new ATOM 0 HA MET A 75 13.364 4.723 -4.527 1.00 0.00 H new ATOM 0 HB2 MET A 75 12.184 3.543 -6.550 1.00 0.00 H new ATOM 0 HB3 MET A 75 13.744 3.645 -7.341 1.00 0.00 H new ATOM 0 HG2 MET A 75 14.748 2.446 -5.363 1.00 0.00 H new ATOM 0 HG3 MET A 75 13.127 2.232 -4.731 1.00 0.00 H new ATOM 0 HE1 MET A 75 11.455 -0.163 -7.313 1.00 0.00 H new ATOM 0 HE2 MET A 75 11.258 0.852 -5.864 1.00 0.00 H new ATOM 0 HE3 MET A 75 11.404 1.610 -7.467 1.00 0.00 H new ATOM 1205 N PRO A 76 15.754 5.325 -4.598 1.00 0.00 N ATOM 1206 CA PRO A 76 17.175 5.557 -4.579 1.00 0.00 C ATOM 1207 C PRO A 76 18.005 4.278 -4.584 1.00 0.00 C ATOM 1208 O PRO A 76 17.487 3.161 -4.617 1.00 0.00 O ATOM 1209 CB PRO A 76 17.381 6.273 -3.261 1.00 0.00 C ATOM 1210 CG PRO A 76 16.371 5.696 -2.371 1.00 0.00 C ATOM 1211 CD PRO A 76 15.222 5.259 -3.237 1.00 0.00 C ATOM 0 HA PRO A 76 17.493 6.104 -5.466 1.00 0.00 H new ATOM 0 HB2 PRO A 76 18.388 6.114 -2.875 1.00 0.00 H new ATOM 0 HB3 PRO A 76 17.248 7.349 -3.368 1.00 0.00 H new ATOM 0 HG2 PRO A 76 16.781 4.851 -1.819 1.00 0.00 H new ATOM 0 HG3 PRO A 76 16.042 6.429 -1.634 1.00 0.00 H new ATOM 0 HD2 PRO A 76 14.895 4.250 -2.986 1.00 0.00 H new ATOM 0 HD3 PRO A 76 14.359 5.914 -3.114 1.00 0.00 H new ATOM 1219 N GLU A 77 19.295 4.522 -4.522 1.00 0.00 N ATOM 1220 CA GLU A 77 20.360 3.537 -4.665 1.00 0.00 C ATOM 1221 C GLU A 77 20.042 2.187 -4.042 1.00 0.00 C ATOM 1222 O GLU A 77 20.203 1.175 -4.687 1.00 0.00 O ATOM 1223 CB GLU A 77 21.650 4.083 -4.054 1.00 0.00 C ATOM 1224 CG GLU A 77 22.157 5.354 -4.711 1.00 0.00 C ATOM 1225 CD GLU A 77 23.239 5.101 -5.745 1.00 0.00 C ATOM 1226 OE1 GLU A 77 22.994 4.350 -6.710 1.00 0.00 O ATOM 1227 OE2 GLU A 77 24.347 5.666 -5.599 1.00 0.00 O ATOM 0 H GLU A 77 19.656 5.463 -4.362 1.00 0.00 H new ATOM 0 HA GLU A 77 20.473 3.366 -5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 77 21.484 4.276 -2.994 1.00 0.00 H new ATOM 0 HB3 GLU A 77 22.424 3.318 -4.122 1.00 0.00 H new ATOM 0 HG2 GLU A 77 21.322 5.868 -5.187 1.00 0.00 H new ATOM 0 HG3 GLU A 77 22.546 6.022 -3.943 1.00 0.00 H new ATOM 1234 N LYS A 78 19.646 2.167 -2.783 1.00 0.00 N ATOM 1235 CA LYS A 78 19.250 0.900 -2.144 1.00 0.00 C ATOM 1236 C LYS A 78 18.294 1.122 -0.974 1.00 0.00 C ATOM 1237 O LYS A 78 18.643 1.711 0.046 1.00 0.00 O ATOM 1238 CB LYS A 78 20.488 0.098 -1.694 1.00 0.00 C ATOM 1239 CG LYS A 78 21.720 0.947 -1.404 1.00 0.00 C ATOM 1240 CD LYS A 78 21.485 1.879 -0.237 1.00 0.00 C ATOM 1241 CE LYS A 78 21.508 1.145 1.098 1.00 0.00 C ATOM 1242 NZ LYS A 78 21.325 2.076 2.246 1.00 0.00 N ATOM 0 H LYS A 78 19.586 2.989 -2.182 1.00 0.00 H new ATOM 0 HA LYS A 78 18.715 0.317 -2.894 1.00 0.00 H new ATOM 0 HB2 LYS A 78 20.233 -0.467 -0.798 1.00 0.00 H new ATOM 0 HB3 LYS A 78 20.736 -0.628 -2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 78 22.569 0.298 -1.188 1.00 0.00 H new ATOM 0 HG3 LYS A 78 21.980 1.528 -2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 78 22.249 2.657 -0.236 1.00 0.00 H new ATOM 0 HD3 LYS A 78 20.523 2.377 -0.360 1.00 0.00 H new ATOM 0 HE2 LYS A 78 20.720 0.392 1.112 1.00 0.00 H new ATOM 0 HE3 LYS A 78 22.456 0.617 1.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 21.347 1.538 3.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 22.091 2.780 2.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 20.409 2.561 2.157 1.00 0.00 H new ATOM 1256 N ILE A 79 17.069 0.663 -1.153 1.00 0.00 N ATOM 1257 CA ILE A 79 16.068 0.712 -0.073 1.00 0.00 C ATOM 1258 C ILE A 79 15.056 -0.412 -0.147 1.00 0.00 C ATOM 1259 O ILE A 79 14.905 -1.053 -1.187 1.00 0.00 O ATOM 1260 CB ILE A 79 15.265 2.035 -0.113 1.00 0.00 C ATOM 1261 CG1 ILE A 79 15.043 2.519 -1.556 1.00 0.00 C ATOM 1262 CG2 ILE A 79 15.962 3.119 0.687 1.00 0.00 C ATOM 1263 CD1 ILE A 79 14.444 1.500 -2.507 1.00 0.00 C ATOM 0 H ILE A 79 16.733 0.253 -2.024 1.00 0.00 H new ATOM 0 HA ILE A 79 16.646 0.622 0.847 1.00 0.00 H new ATOM 0 HB ILE A 79 14.293 1.831 0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 79 14.391 3.392 -1.531 1.00 0.00 H new ATOM 0 HG13 ILE A 79 16.000 2.848 -1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 79 15.377 4.037 0.642 1.00 0.00 H new ATOM 0 HG22 ILE A 79 16.058 2.800 1.725 1.00 0.00 H new ATOM 0 HG23 ILE A 79 16.953 3.299 0.270 1.00 0.00 H new ATOM 0 HD11 ILE A 79 14.331 1.947 -3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 79 15.102 0.634 -2.574 1.00 0.00 H new ATOM 0 HD13 ILE A 79 13.468 1.187 -2.137 1.00 0.00 H new ATOM 1275 N SER A 80 14.394 -0.687 0.970 1.00 0.00 N ATOM 1276 CA SER A 80 13.141 -1.421 0.937 1.00 0.00 C ATOM 1277 C SER A 80 11.968 -0.523 1.294 1.00 0.00 C ATOM 1278 O SER A 80 11.661 -0.318 2.471 1.00 0.00 O ATOM 1279 CB SER A 80 13.207 -2.581 1.932 1.00 0.00 C ATOM 1280 OG SER A 80 13.679 -2.144 3.197 1.00 0.00 O ATOM 0 H SER A 80 14.703 -0.414 1.903 1.00 0.00 H new ATOM 0 HA SER A 80 12.992 -1.798 -0.075 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.218 -3.025 2.043 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.864 -3.359 1.544 1.00 0.00 H new ATOM 0 HG SER A 80 13.155 -1.370 3.492 1.00 0.00 H new ATOM 1286 N LYS A 81 11.339 0.047 0.290 1.00 0.00 N ATOM 1287 CA LYS A 81 10.099 0.778 0.474 1.00 0.00 C ATOM 1288 C LYS A 81 8.918 -0.171 0.637 1.00 0.00 C ATOM 1289 O LYS A 81 8.986 -1.319 0.191 1.00 0.00 O ATOM 1290 CB LYS A 81 9.891 1.623 -0.766 1.00 0.00 C ATOM 1291 CG LYS A 81 11.061 2.524 -1.045 1.00 0.00 C ATOM 1292 CD LYS A 81 10.869 3.815 -0.309 1.00 0.00 C ATOM 1293 CE LYS A 81 9.817 4.673 -0.991 1.00 0.00 C ATOM 1294 NZ LYS A 81 9.571 5.945 -0.260 1.00 0.00 N ATOM 0 H LYS A 81 11.669 0.019 -0.675 1.00 0.00 H new ATOM 0 HA LYS A 81 10.161 1.389 1.375 1.00 0.00 H new ATOM 0 HB2 LYS A 81 9.725 0.971 -1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 81 8.991 2.226 -0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.988 2.045 -0.730 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.146 2.710 -2.116 1.00 0.00 H new ATOM 0 HD2 LYS A 81 10.569 3.612 0.719 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.814 4.357 -0.264 1.00 0.00 H new ATOM 0 HE2 LYS A 81 10.137 4.897 -2.009 1.00 0.00 H new ATOM 0 HE3 LYS A 81 8.885 4.112 -1.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 8.847 6.499 -0.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 9.241 5.734 0.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 10.453 6.493 -0.211 1.00 0.00 H new ATOM 1308 N PRO A 82 7.824 0.278 1.284 1.00 0.00 N ATOM 1309 CA PRO A 82 6.581 -0.480 1.282 1.00 0.00 C ATOM 1310 C PRO A 82 5.977 -0.488 -0.103 1.00 0.00 C ATOM 1311 O PRO A 82 5.204 0.393 -0.467 1.00 0.00 O ATOM 1312 CB PRO A 82 5.659 0.265 2.247 1.00 0.00 C ATOM 1313 CG PRO A 82 6.455 1.377 2.848 1.00 0.00 C ATOM 1314 CD PRO A 82 7.738 1.512 2.069 1.00 0.00 C ATOM 0 HA PRO A 82 6.735 -1.518 1.576 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.787 0.656 1.722 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.290 -0.407 3.022 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.891 2.309 2.816 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.667 1.169 3.897 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.720 2.391 1.425 1.00 0.00 H new ATOM 0 HD3 PRO A 82 8.596 1.620 2.733 1.00 0.00 H new ATOM 1322 N PHE A 83 6.341 -1.488 -0.874 1.00 0.00 N ATOM 1323 CA PHE A 83 5.829 -1.623 -2.210 1.00 0.00 C ATOM 1324 C PHE A 83 4.408 -2.121 -2.224 1.00 0.00 C ATOM 1325 O PHE A 83 3.844 -2.511 -1.205 1.00 0.00 O ATOM 1326 CB PHE A 83 6.711 -2.570 -3.013 1.00 0.00 C ATOM 1327 CG PHE A 83 8.119 -2.091 -3.147 1.00 0.00 C ATOM 1328 CD1 PHE A 83 8.399 -0.747 -3.340 1.00 0.00 C ATOM 1329 CD2 PHE A 83 9.161 -2.988 -3.083 1.00 0.00 C ATOM 1330 CE1 PHE A 83 9.703 -0.308 -3.462 1.00 0.00 C ATOM 1331 CE2 PHE A 83 10.463 -2.565 -3.209 1.00 0.00 C ATOM 1332 CZ PHE A 83 10.742 -1.219 -3.396 1.00 0.00 C ATOM 0 H PHE A 83 6.993 -2.220 -0.593 1.00 0.00 H new ATOM 0 HA PHE A 83 5.839 -0.632 -2.664 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.711 -3.549 -2.535 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.282 -2.701 -4.007 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.589 -0.035 -3.396 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.953 -4.037 -2.932 1.00 0.00 H new ATOM 0 HE1 PHE A 83 9.910 0.742 -3.608 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.270 -3.282 -3.162 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.765 -0.884 -3.490 1.00 0.00 H new ATOM 1342 N VAL A 84 3.884 -2.156 -3.421 1.00 0.00 N ATOM 1343 CA VAL A 84 2.481 -2.379 -3.665 1.00 0.00 C ATOM 1344 C VAL A 84 2.302 -2.716 -5.118 1.00 0.00 C ATOM 1345 O VAL A 84 3.153 -2.391 -5.948 1.00 0.00 O ATOM 1346 CB VAL A 84 1.606 -1.143 -3.331 1.00 0.00 C ATOM 1347 CG1 VAL A 84 1.307 -1.055 -1.845 1.00 0.00 C ATOM 1348 CG2 VAL A 84 2.283 0.125 -3.804 1.00 0.00 C ATOM 0 H VAL A 84 4.431 -2.028 -4.272 1.00 0.00 H new ATOM 0 HA VAL A 84 2.157 -3.191 -3.014 1.00 0.00 H new ATOM 0 HB VAL A 84 0.658 -1.258 -3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.692 -0.177 -1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.773 -1.950 -1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.242 -0.975 -1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.657 0.984 -3.562 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.248 0.229 -3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.433 0.077 -4.883 1.00 0.00 H new ATOM 1358 N LYS A 85 1.207 -3.354 -5.421 1.00 0.00 N ATOM 1359 CA LYS A 85 0.896 -3.714 -6.773 1.00 0.00 C ATOM 1360 C LYS A 85 -0.601 -3.702 -6.934 1.00 0.00 C ATOM 1361 O LYS A 85 -1.311 -4.487 -6.306 1.00 0.00 O ATOM 1362 CB LYS A 85 1.492 -5.093 -7.109 1.00 0.00 C ATOM 1363 CG LYS A 85 1.243 -5.582 -8.533 1.00 0.00 C ATOM 1364 CD LYS A 85 -0.134 -6.211 -8.692 1.00 0.00 C ATOM 1365 CE LYS A 85 -0.345 -6.768 -10.089 1.00 0.00 C ATOM 1366 NZ LYS A 85 -0.145 -5.737 -11.144 1.00 0.00 N ATOM 0 H LYS A 85 0.506 -3.639 -4.737 1.00 0.00 H new ATOM 0 HA LYS A 85 1.335 -2.998 -7.468 1.00 0.00 H new ATOM 0 HB2 LYS A 85 2.568 -5.057 -6.938 1.00 0.00 H new ATOM 0 HB3 LYS A 85 1.083 -5.826 -6.414 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.341 -4.745 -9.225 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.007 -6.311 -8.804 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -0.255 -7.010 -7.961 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -0.900 -5.466 -8.479 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.345 -7.595 -10.256 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -1.353 -7.174 -10.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -0.414 -6.130 -12.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.736 -4.907 -10.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 0.855 -5.453 -11.166 1.00 0.00 H new ATOM 1380 N LYS A 86 -1.089 -2.790 -7.743 1.00 0.00 N ATOM 1381 CA LYS A 86 -2.499 -2.744 -8.010 1.00 0.00 C ATOM 1382 C LYS A 86 -2.856 -3.867 -8.954 1.00 0.00 C ATOM 1383 O LYS A 86 -2.288 -3.986 -10.042 1.00 0.00 O ATOM 1384 CB LYS A 86 -2.913 -1.397 -8.600 1.00 0.00 C ATOM 1385 CG LYS A 86 -4.331 -1.402 -9.145 1.00 0.00 C ATOM 1386 CD LYS A 86 -4.881 0.000 -9.302 1.00 0.00 C ATOM 1387 CE LYS A 86 -4.951 0.708 -7.962 1.00 0.00 C ATOM 1388 NZ LYS A 86 -5.649 -0.117 -6.944 1.00 0.00 N ATOM 0 H LYS A 86 -0.534 -2.080 -8.220 1.00 0.00 H new ATOM 0 HA LYS A 86 -3.039 -2.864 -7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.827 -0.628 -7.833 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.223 -1.128 -9.400 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.347 -1.908 -10.110 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.975 -1.972 -8.475 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -4.250 0.568 -9.985 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.875 -0.043 -9.747 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.942 0.936 -7.617 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.471 1.659 -8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.949 0.488 -6.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.484 -0.565 -7.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.004 -0.853 -6.591 1.00 0.00 H new ATOM 1402 N GLU A 87 -3.783 -4.694 -8.530 1.00 0.00 N ATOM 1403 CA GLU A 87 -4.217 -5.798 -9.349 1.00 0.00 C ATOM 1404 C GLU A 87 -5.534 -5.440 -10.007 1.00 0.00 C ATOM 1405 O GLU A 87 -5.855 -5.941 -11.083 1.00 0.00 O ATOM 1406 CB GLU A 87 -4.331 -7.082 -8.529 1.00 0.00 C ATOM 1407 CG GLU A 87 -5.321 -6.993 -7.391 1.00 0.00 C ATOM 1408 CD GLU A 87 -5.508 -8.320 -6.684 1.00 0.00 C ATOM 1409 OE1 GLU A 87 -4.605 -8.724 -5.923 1.00 0.00 O ATOM 1410 OE2 GLU A 87 -6.550 -8.967 -6.890 1.00 0.00 O ATOM 0 H GLU A 87 -4.249 -4.623 -7.625 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.474 -5.985 -10.124 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -4.623 -7.899 -9.189 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.350 -7.333 -8.126 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.980 -6.247 -6.673 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.282 -6.650 -7.775 1.00 0.00 H new ATOM 1417 N ARG A 88 -6.282 -4.539 -9.363 1.00 0.00 N ATOM 1418 CA ARG A 88 -7.544 -4.068 -9.910 1.00 0.00 C ATOM 1419 C ARG A 88 -8.152 -2.968 -9.038 1.00 0.00 C ATOM 1420 O ARG A 88 -7.514 -2.466 -8.105 1.00 0.00 O ATOM 1421 CB ARG A 88 -8.522 -5.241 -10.062 1.00 0.00 C ATOM 1422 CG ARG A 88 -8.727 -6.055 -8.798 1.00 0.00 C ATOM 1423 CD ARG A 88 -9.091 -7.492 -9.130 1.00 0.00 C ATOM 1424 NE ARG A 88 -9.813 -8.136 -8.043 1.00 0.00 N ATOM 1425 CZ ARG A 88 -9.747 -9.435 -7.753 1.00 0.00 C ATOM 1426 NH1 ARG A 88 -8.927 -10.238 -8.418 1.00 0.00 N ATOM 1427 NH2 ARG A 88 -10.513 -9.921 -6.788 1.00 0.00 N ATOM 0 H ARG A 88 -6.031 -4.126 -8.465 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.351 -3.640 -10.893 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -9.486 -4.854 -10.390 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -8.159 -5.901 -10.850 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -7.818 -6.036 -8.197 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -9.517 -5.606 -8.196 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -9.701 -7.512 -10.033 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -8.183 -8.055 -9.346 1.00 0.00 H new ATOM 0 HE ARG A 88 -10.413 -7.551 -7.461 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -8.337 -9.863 -9.161 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -8.886 -11.230 -8.186 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -11.143 -9.303 -6.277 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -10.473 -10.913 -6.556 1.00 0.00 H new ATOM 1441 N ILE A 89 -9.373 -2.577 -9.381 1.00 0.00 N ATOM 1442 CA ILE A 89 -10.151 -1.611 -8.613 1.00 0.00 C ATOM 1443 C ILE A 89 -11.546 -2.167 -8.411 1.00 0.00 C ATOM 1444 O ILE A 89 -12.346 -2.178 -9.350 1.00 0.00 O ATOM 1445 CB ILE A 89 -10.252 -0.249 -9.349 1.00 0.00 C ATOM 1446 CG1 ILE A 89 -8.915 0.485 -9.304 1.00 0.00 C ATOM 1447 CG2 ILE A 89 -11.353 0.614 -8.741 1.00 0.00 C ATOM 1448 CD1 ILE A 89 -8.570 0.992 -7.926 1.00 0.00 C ATOM 0 H ILE A 89 -9.857 -2.925 -10.209 1.00 0.00 H new ATOM 0 HA ILE A 89 -9.653 -1.445 -7.658 1.00 0.00 H new ATOM 0 HB ILE A 89 -10.505 -0.444 -10.391 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.127 -0.185 -9.647 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.944 1.325 -9.998 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -11.406 1.564 -9.273 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.309 0.097 -8.826 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.132 0.798 -7.690 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.609 1.505 -7.957 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.341 1.686 -7.590 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -8.511 0.152 -7.234 1.00 0.00 H new ATOM 1460 N GLU A 90 -11.856 -2.668 -7.221 1.00 0.00 N ATOM 1461 CA GLU A 90 -13.142 -3.319 -7.048 1.00 0.00 C ATOM 1462 C GLU A 90 -14.039 -2.645 -6.025 1.00 0.00 C ATOM 1463 O GLU A 90 -13.768 -2.659 -4.825 1.00 0.00 O ATOM 1464 CB GLU A 90 -12.970 -4.775 -6.640 1.00 0.00 C ATOM 1465 CG GLU A 90 -12.542 -5.681 -7.770 1.00 0.00 C ATOM 1466 CD GLU A 90 -12.743 -7.137 -7.424 1.00 0.00 C ATOM 1467 OE1 GLU A 90 -12.035 -7.642 -6.528 1.00 0.00 O ATOM 1468 OE2 GLU A 90 -13.623 -7.776 -8.030 1.00 0.00 O ATOM 0 H GLU A 90 -11.260 -2.638 -6.394 1.00 0.00 H new ATOM 0 HA GLU A 90 -13.625 -3.243 -8.022 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.231 -4.833 -5.841 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.912 -5.141 -6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -13.111 -5.438 -8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -11.492 -5.503 -8.001 1.00 0.00 H new ATOM 1475 N LYS A 91 -15.117 -2.083 -6.528 1.00 0.00 N ATOM 1476 CA LYS A 91 -16.257 -1.703 -5.742 1.00 0.00 C ATOM 1477 C LYS A 91 -17.535 -1.903 -6.501 1.00 0.00 C ATOM 1478 O LYS A 91 -17.549 -2.185 -7.699 1.00 0.00 O ATOM 1479 CB LYS A 91 -16.192 -0.279 -5.274 1.00 0.00 C ATOM 1480 CG LYS A 91 -16.011 -0.212 -3.787 1.00 0.00 C ATOM 1481 CD LYS A 91 -17.258 -0.632 -3.008 1.00 0.00 C ATOM 1482 CE LYS A 91 -18.345 0.434 -3.056 1.00 0.00 C ATOM 1483 NZ LYS A 91 -19.482 0.129 -2.149 1.00 0.00 N ATOM 0 H LYS A 91 -15.221 -1.875 -7.521 1.00 0.00 H new ATOM 0 HA LYS A 91 -16.239 -2.353 -4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.366 0.233 -5.768 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -17.106 0.243 -5.557 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.178 -0.854 -3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -15.741 0.806 -3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -17.646 -1.564 -3.419 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -16.988 -0.829 -1.970 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -17.916 1.398 -2.784 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -18.714 0.526 -4.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -20.194 0.884 -2.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -19.911 -0.778 -2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -19.138 0.067 -1.170 1.00 0.00 H new