USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 519 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 34 CYS SG : rot -118:sc= 0.641 USER MOD Set 1.2: A 37 CYS SG : rot -74:sc= 0.0675 USER MOD Set 1.3: A 54 CYS SG : rot 121:sc= -1.8! USER MOD Set 1.4: A 58 HIS : no HE2:sc= -1.38 K(o=-2.5,f=-10!) USER MOD Set 2.1: A 39 GLN : amide:sc= -0.0107 K(o=0.72,f=-0.49) USER MOD Set 2.2: A 56 HIS : no HE2:sc= 0.731 K(o=0.72,f=-2.5!) USER MOD Set 3.1: A 5 CYS SG : rot -124:sc= -0.571 USER MOD Set 3.2: A 8 CYS SG : rot 141:sc= 0.601 USER MOD Set 3.3: A 21 CYS SG : rot 172:sc= -0.0741 USER MOD Set 3.4: A 24 CYS SG : rot 103:sc= -6.33! USER MOD Single : A 4 HIS : no HD1:sc= -0.924 K(o=-0.92,f=0) USER MOD Single : A 7 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.232 X(o=-0.23,f=-0.26) USER MOD Single : A 14 GLN : amide:sc= -0.576 X(o=-0.58,f=-0.2) USER MOD Single : A 16 ASN : amide:sc= 0.0206 X(o=0.021,f=0) USER MOD Single : A 18 HIS : no HE2:sc= 1.08 K(o=1.1,f=-5.7!) USER MOD Single : A 23 SER OG : rot -170:sc= -0.14 USER MOD Single : A 30 MET CE :methyl -134:sc= -1.24 (180deg=-2.85!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0.275 K(o=0.27,f=-3.2!) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.1) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= 0.924 (180deg=0.594) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 33 N LEU A 3 63.007 -2.198 10.659 1.00 0.00 N ATOM 34 CA LEU A 3 63.451 -1.405 9.527 1.00 0.00 C ATOM 35 C LEU A 3 64.198 -0.180 10.032 1.00 0.00 C ATOM 36 O LEU A 3 63.947 0.294 11.137 1.00 0.00 O ATOM 37 CB LEU A 3 62.263 -0.981 8.649 1.00 0.00 C ATOM 38 CG LEU A 3 61.516 -2.117 7.942 1.00 0.00 C ATOM 39 CD1 LEU A 3 60.606 -2.860 8.910 1.00 0.00 C ATOM 40 CD2 LEU A 3 60.717 -1.572 6.771 1.00 0.00 C ATOM 0 HA LEU A 3 64.118 -2.012 8.914 1.00 0.00 H new ATOM 0 HB2 LEU A 3 61.552 -0.436 9.271 1.00 0.00 H new ATOM 0 HB3 LEU A 3 62.625 -0.284 7.893 1.00 0.00 H new ATOM 0 HG LEU A 3 62.253 -2.826 7.564 1.00 0.00 H new ATOM 0 HD11 LEU A 3 60.089 -3.661 8.381 1.00 0.00 H new ATOM 0 HD12 LEU A 3 61.203 -3.285 9.717 1.00 0.00 H new ATOM 0 HD13 LEU A 3 59.874 -2.167 9.326 1.00 0.00 H new ATOM 0 HD21 LEU A 3 60.191 -2.389 6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 3 59.994 -0.841 7.133 1.00 0.00 H new ATOM 0 HD23 LEU A 3 61.392 -1.094 6.061 1.00 0.00 H new ATOM 52 N HIS A 4 65.137 0.315 9.241 1.00 0.00 N ATOM 53 CA HIS A 4 65.919 1.482 9.632 1.00 0.00 C ATOM 54 C HIS A 4 65.666 2.624 8.664 1.00 0.00 C ATOM 55 O HIS A 4 65.481 2.399 7.468 1.00 0.00 O ATOM 56 CB HIS A 4 67.422 1.169 9.654 1.00 0.00 C ATOM 57 CG HIS A 4 67.848 0.165 10.688 1.00 0.00 C ATOM 58 ND1 HIS A 4 69.163 -0.018 11.054 1.00 0.00 N ATOM 59 CD2 HIS A 4 67.135 -0.733 11.411 1.00 0.00 C ATOM 60 CE1 HIS A 4 69.237 -0.977 11.958 1.00 0.00 C ATOM 61 NE2 HIS A 4 68.022 -1.430 12.191 1.00 0.00 N ATOM 0 H HIS A 4 65.377 -0.070 8.327 1.00 0.00 H new ATOM 0 HA HIS A 4 65.608 1.766 10.637 1.00 0.00 H new ATOM 0 HB2 HIS A 4 67.715 0.802 8.671 1.00 0.00 H new ATOM 0 HB3 HIS A 4 67.968 2.097 9.824 1.00 0.00 H new ATOM 0 HD2 HIS A 4 66.065 -0.874 11.379 1.00 0.00 H new ATOM 0 HE1 HIS A 4 70.142 -1.331 12.428 1.00 0.00 H new ATOM 0 HE2 HIS A 4 67.781 -2.176 12.844 1.00 0.00 H new ATOM 70 N CYS A 5 65.651 3.844 9.179 1.00 0.00 N ATOM 71 CA CYS A 5 65.530 5.020 8.327 1.00 0.00 C ATOM 72 C CYS A 5 66.855 5.269 7.608 1.00 0.00 C ATOM 73 O CYS A 5 67.916 5.075 8.192 1.00 0.00 O ATOM 74 CB CYS A 5 65.177 6.259 9.160 1.00 0.00 C ATOM 75 SG CYS A 5 64.113 5.946 10.594 1.00 0.00 S ATOM 0 H CYS A 5 65.721 4.046 10.176 1.00 0.00 H new ATOM 0 HA CYS A 5 64.736 4.840 7.602 1.00 0.00 H new ATOM 0 HB2 CYS A 5 66.102 6.719 9.507 1.00 0.00 H new ATOM 0 HB3 CYS A 5 64.684 6.984 8.513 1.00 0.00 H new ATOM 0 HG CYS A 5 63.056 6.700 10.523 1.00 0.00 H new ATOM 80 N PRO A 6 66.820 5.689 6.335 1.00 0.00 N ATOM 81 CA PRO A 6 68.043 6.015 5.593 1.00 0.00 C ATOM 82 C PRO A 6 68.707 7.296 6.107 1.00 0.00 C ATOM 83 O PRO A 6 69.929 7.360 6.256 1.00 0.00 O ATOM 84 CB PRO A 6 67.552 6.197 4.154 1.00 0.00 C ATOM 85 CG PRO A 6 66.105 6.545 4.276 1.00 0.00 C ATOM 86 CD PRO A 6 65.604 5.848 5.512 1.00 0.00 C ATOM 0 HA PRO A 6 68.804 5.241 5.697 1.00 0.00 H new ATOM 0 HB2 PRO A 6 68.106 6.987 3.646 1.00 0.00 H new ATOM 0 HB3 PRO A 6 67.690 5.286 3.572 1.00 0.00 H new ATOM 0 HG2 PRO A 6 65.970 7.624 4.357 1.00 0.00 H new ATOM 0 HG3 PRO A 6 65.552 6.220 3.395 1.00 0.00 H new ATOM 0 HD2 PRO A 6 64.846 6.438 6.026 1.00 0.00 H new ATOM 0 HD3 PRO A 6 65.151 4.885 5.274 1.00 0.00 H new ATOM 94 N GLN A 7 67.889 8.307 6.380 1.00 0.00 N ATOM 95 CA GLN A 7 68.386 9.592 6.865 1.00 0.00 C ATOM 96 C GLN A 7 68.413 9.613 8.392 1.00 0.00 C ATOM 97 O GLN A 7 69.475 9.621 9.013 1.00 0.00 O ATOM 98 CB GLN A 7 67.506 10.726 6.330 1.00 0.00 C ATOM 99 CG GLN A 7 67.963 12.116 6.745 1.00 0.00 C ATOM 100 CD GLN A 7 67.031 13.207 6.253 1.00 0.00 C ATOM 101 OE1 GLN A 7 66.402 13.080 5.201 1.00 0.00 O ATOM 102 NE2 GLN A 7 66.927 14.284 7.013 1.00 0.00 N ATOM 0 H GLN A 7 66.876 8.262 6.274 1.00 0.00 H new ATOM 0 HA GLN A 7 69.404 9.735 6.503 1.00 0.00 H new ATOM 0 HB2 GLN A 7 67.485 10.672 5.242 1.00 0.00 H new ATOM 0 HB3 GLN A 7 66.484 10.573 6.677 1.00 0.00 H new ATOM 0 HG2 GLN A 7 68.030 12.163 7.832 1.00 0.00 H new ATOM 0 HG3 GLN A 7 68.965 12.296 6.356 1.00 0.00 H new ATOM 0 HE21 GLN A 7 67.464 14.352 7.877 1.00 0.00 H new ATOM 0 HE22 GLN A 7 66.309 15.047 6.735 1.00 0.00 H new ATOM 111 N CYS A 8 67.234 9.600 8.996 1.00 0.00 N ATOM 112 CA CYS A 8 67.112 9.595 10.446 1.00 0.00 C ATOM 113 C CYS A 8 67.209 8.166 10.974 1.00 0.00 C ATOM 114 O CYS A 8 66.297 7.682 11.650 1.00 0.00 O ATOM 115 CB CYS A 8 65.780 10.230 10.852 1.00 0.00 C ATOM 116 SG CYS A 8 64.329 9.466 10.079 1.00 0.00 S ATOM 0 H CYS A 8 66.343 9.593 8.500 1.00 0.00 H new ATOM 0 HA CYS A 8 67.925 10.177 10.879 1.00 0.00 H new ATOM 0 HB2 CYS A 8 65.676 10.168 11.935 1.00 0.00 H new ATOM 0 HB3 CYS A 8 65.801 11.289 10.593 1.00 0.00 H new ATOM 0 HG CYS A 8 63.359 9.405 10.942 1.00 0.00 H new ATOM 121 N GLN A 9 68.317 7.510 10.638 1.00 0.00 N ATOM 122 CA GLN A 9 68.521 6.081 10.899 1.00 0.00 C ATOM 123 C GLN A 9 68.192 5.664 12.332 1.00 0.00 C ATOM 124 O GLN A 9 68.972 5.873 13.260 1.00 0.00 O ATOM 125 CB GLN A 9 69.951 5.668 10.533 1.00 0.00 C ATOM 126 CG GLN A 9 71.033 6.584 11.078 1.00 0.00 C ATOM 127 CD GLN A 9 72.418 6.144 10.651 1.00 0.00 C ATOM 128 OE1 GLN A 9 73.079 5.367 11.337 1.00 0.00 O ATOM 129 NE2 GLN A 9 72.858 6.625 9.501 1.00 0.00 N ATOM 0 H GLN A 9 69.107 7.956 10.173 1.00 0.00 H new ATOM 0 HA GLN A 9 67.813 5.552 10.261 1.00 0.00 H new ATOM 0 HB2 GLN A 9 70.129 4.658 10.902 1.00 0.00 H new ATOM 0 HB3 GLN A 9 70.038 5.631 9.447 1.00 0.00 H new ATOM 0 HG2 GLN A 9 70.854 7.602 10.733 1.00 0.00 H new ATOM 0 HG3 GLN A 9 70.978 6.602 12.166 1.00 0.00 H new ATOM 0 HE21 GLN A 9 72.278 7.268 8.962 1.00 0.00 H new ATOM 0 HE22 GLN A 9 73.777 6.353 9.153 1.00 0.00 H new ATOM 138 N HIS A 10 67.008 5.083 12.479 1.00 0.00 N ATOM 139 CA HIS A 10 66.535 4.494 13.727 1.00 0.00 C ATOM 140 C HIS A 10 65.435 3.488 13.391 1.00 0.00 C ATOM 141 O HIS A 10 65.200 3.216 12.213 1.00 0.00 O ATOM 142 CB HIS A 10 66.004 5.568 14.690 1.00 0.00 C ATOM 143 CG HIS A 10 67.072 6.262 15.491 1.00 0.00 C ATOM 144 ND1 HIS A 10 67.451 7.575 15.284 1.00 0.00 N ATOM 145 CD2 HIS A 10 67.833 5.817 16.521 1.00 0.00 C ATOM 146 CE1 HIS A 10 68.393 7.898 16.150 1.00 0.00 C ATOM 147 NE2 HIS A 10 68.644 6.853 16.910 1.00 0.00 N ATOM 0 H HIS A 10 66.334 5.006 11.717 1.00 0.00 H new ATOM 0 HA HIS A 10 67.365 3.997 14.230 1.00 0.00 H new ATOM 0 HB2 HIS A 10 65.454 6.314 14.116 1.00 0.00 H new ATOM 0 HB3 HIS A 10 65.294 5.106 15.376 1.00 0.00 H new ATOM 0 HD2 HIS A 10 67.806 4.829 16.955 1.00 0.00 H new ATOM 0 HE1 HIS A 10 68.878 8.860 16.223 1.00 0.00 H new ATOM 0 HE2 HIS A 10 69.329 6.819 17.665 1.00 0.00 H new ATOM 156 N VAL A 11 64.762 2.953 14.403 1.00 0.00 N ATOM 157 CA VAL A 11 63.736 1.933 14.186 1.00 0.00 C ATOM 158 C VAL A 11 62.505 2.496 13.472 1.00 0.00 C ATOM 159 O VAL A 11 61.957 3.529 13.864 1.00 0.00 O ATOM 160 CB VAL A 11 63.296 1.285 15.517 1.00 0.00 C ATOM 161 CG1 VAL A 11 62.197 0.257 15.290 1.00 0.00 C ATOM 162 CG2 VAL A 11 64.486 0.649 16.217 1.00 0.00 C ATOM 0 H VAL A 11 64.906 3.206 15.381 1.00 0.00 H new ATOM 0 HA VAL A 11 64.191 1.175 13.548 1.00 0.00 H new ATOM 0 HB VAL A 11 62.894 2.070 16.158 1.00 0.00 H new ATOM 0 HG11 VAL A 11 61.907 -0.183 16.244 1.00 0.00 H new ATOM 0 HG12 VAL A 11 61.333 0.742 14.837 1.00 0.00 H new ATOM 0 HG13 VAL A 11 62.563 -0.526 14.626 1.00 0.00 H new ATOM 0 HG21 VAL A 11 64.158 0.197 17.153 1.00 0.00 H new ATOM 0 HG22 VAL A 11 64.918 -0.119 15.575 1.00 0.00 H new ATOM 0 HG23 VAL A 11 65.236 1.412 16.425 1.00 0.00 H new ATOM 172 N LEU A 12 62.093 1.805 12.416 1.00 0.00 N ATOM 173 CA LEU A 12 60.873 2.122 11.679 1.00 0.00 C ATOM 174 C LEU A 12 59.818 1.045 11.907 1.00 0.00 C ATOM 175 O LEU A 12 60.126 -0.145 11.855 1.00 0.00 O ATOM 176 CB LEU A 12 61.167 2.209 10.180 1.00 0.00 C ATOM 177 CG LEU A 12 61.578 3.582 9.657 1.00 0.00 C ATOM 178 CD1 LEU A 12 62.131 3.466 8.248 1.00 0.00 C ATOM 179 CD2 LEU A 12 60.388 4.525 9.669 1.00 0.00 C ATOM 0 H LEU A 12 62.599 1.002 12.043 1.00 0.00 H new ATOM 0 HA LEU A 12 60.501 3.081 12.039 1.00 0.00 H new ATOM 0 HB2 LEU A 12 61.960 1.500 9.944 1.00 0.00 H new ATOM 0 HB3 LEU A 12 60.279 1.886 9.637 1.00 0.00 H new ATOM 0 HG LEU A 12 62.355 3.983 10.308 1.00 0.00 H new ATOM 0 HD11 LEU A 12 62.420 4.453 7.888 1.00 0.00 H new ATOM 0 HD12 LEU A 12 63.003 2.812 8.252 1.00 0.00 H new ATOM 0 HD13 LEU A 12 61.368 3.049 7.591 1.00 0.00 H new ATOM 0 HD21 LEU A 12 60.694 5.502 9.294 1.00 0.00 H new ATOM 0 HD22 LEU A 12 59.599 4.123 9.034 1.00 0.00 H new ATOM 0 HD23 LEU A 12 60.016 4.628 10.688 1.00 0.00 H new ATOM 191 N ASP A 13 58.580 1.457 12.155 1.00 0.00 N ATOM 192 CA ASP A 13 57.483 0.507 12.286 1.00 0.00 C ATOM 193 C ASP A 13 56.572 0.609 11.071 1.00 0.00 C ATOM 194 O ASP A 13 55.822 1.576 10.917 1.00 0.00 O ATOM 195 CB ASP A 13 56.681 0.754 13.564 1.00 0.00 C ATOM 196 CG ASP A 13 55.751 -0.400 13.901 1.00 0.00 C ATOM 197 OD1 ASP A 13 54.811 -0.675 13.124 1.00 0.00 O ATOM 198 OD2 ASP A 13 55.944 -1.032 14.962 1.00 0.00 O ATOM 0 H ASP A 13 58.312 2.435 12.269 1.00 0.00 H new ATOM 0 HA ASP A 13 57.905 -0.496 12.346 1.00 0.00 H new ATOM 0 HB2 ASP A 13 57.368 0.917 14.394 1.00 0.00 H new ATOM 0 HB3 ASP A 13 56.096 1.667 13.451 1.00 0.00 H new ATOM 203 N GLN A 14 56.673 -0.374 10.198 1.00 0.00 N ATOM 204 CA GLN A 14 55.877 -0.411 8.983 1.00 0.00 C ATOM 205 C GLN A 14 54.591 -1.185 9.247 1.00 0.00 C ATOM 206 O GLN A 14 54.601 -2.415 9.330 1.00 0.00 O ATOM 207 CB GLN A 14 56.696 -1.063 7.869 1.00 0.00 C ATOM 208 CG GLN A 14 56.119 -0.901 6.477 1.00 0.00 C ATOM 209 CD GLN A 14 57.070 -1.421 5.419 1.00 0.00 C ATOM 210 OE1 GLN A 14 57.023 -2.589 5.038 1.00 0.00 O ATOM 211 NE2 GLN A 14 57.960 -0.561 4.951 1.00 0.00 N ATOM 0 H GLN A 14 57.305 -1.167 10.308 1.00 0.00 H new ATOM 0 HA GLN A 14 55.611 0.599 8.671 1.00 0.00 H new ATOM 0 HB2 GLN A 14 57.701 -0.641 7.882 1.00 0.00 H new ATOM 0 HB3 GLN A 14 56.794 -2.127 8.085 1.00 0.00 H new ATOM 0 HG2 GLN A 14 55.171 -1.435 6.410 1.00 0.00 H new ATOM 0 HG3 GLN A 14 55.906 0.151 6.290 1.00 0.00 H new ATOM 0 HE21 GLN A 14 57.968 0.400 5.291 1.00 0.00 H new ATOM 0 HE22 GLN A 14 58.638 -0.860 4.250 1.00 0.00 H new ATOM 220 N ASP A 15 53.492 -0.464 9.413 1.00 0.00 N ATOM 221 CA ASP A 15 52.240 -1.086 9.828 1.00 0.00 C ATOM 222 C ASP A 15 51.287 -1.284 8.655 1.00 0.00 C ATOM 223 O ASP A 15 51.281 -2.342 8.026 1.00 0.00 O ATOM 224 CB ASP A 15 51.565 -0.261 10.927 1.00 0.00 C ATOM 225 CG ASP A 15 50.368 -0.973 11.521 1.00 0.00 C ATOM 226 OD1 ASP A 15 50.571 -1.866 12.369 1.00 0.00 O ATOM 227 OD2 ASP A 15 49.222 -0.657 11.141 1.00 0.00 O ATOM 0 H ASP A 15 53.440 0.544 9.269 1.00 0.00 H new ATOM 0 HA ASP A 15 52.485 -2.071 10.225 1.00 0.00 H new ATOM 0 HB2 ASP A 15 52.287 -0.048 11.715 1.00 0.00 H new ATOM 0 HB3 ASP A 15 51.249 0.698 10.517 1.00 0.00 H new ATOM 232 N ASN A 16 50.496 -0.264 8.349 1.00 0.00 N ATOM 233 CA ASN A 16 49.488 -0.367 7.303 1.00 0.00 C ATOM 234 C ASN A 16 49.657 0.756 6.290 1.00 0.00 C ATOM 235 O ASN A 16 49.069 1.829 6.424 1.00 0.00 O ATOM 236 CB ASN A 16 48.080 -0.338 7.917 1.00 0.00 C ATOM 237 CG ASN A 16 46.976 -0.557 6.894 1.00 0.00 C ATOM 238 OD1 ASN A 16 46.592 -1.693 6.610 1.00 0.00 O ATOM 239 ND2 ASN A 16 46.445 0.526 6.347 1.00 0.00 N ATOM 0 H ASN A 16 50.533 0.645 8.811 1.00 0.00 H new ATOM 0 HA ASN A 16 49.618 -1.317 6.784 1.00 0.00 H new ATOM 0 HB2 ASN A 16 48.011 -1.106 8.687 1.00 0.00 H new ATOM 0 HB3 ASN A 16 47.925 0.622 8.409 1.00 0.00 H new ATOM 0 HD21 ASN A 16 45.692 0.436 5.665 1.00 0.00 H new ATOM 0 HD22 ASN A 16 46.790 1.450 6.607 1.00 0.00 H new ATOM 246 N GLY A 17 50.514 0.523 5.306 1.00 0.00 N ATOM 247 CA GLY A 17 50.723 1.497 4.252 1.00 0.00 C ATOM 248 C GLY A 17 51.698 2.595 4.638 1.00 0.00 C ATOM 249 O GLY A 17 52.465 3.072 3.805 1.00 0.00 O ATOM 0 H GLY A 17 51.071 -0.327 5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 17 51.094 0.987 3.363 1.00 0.00 H new ATOM 0 HA3 GLY A 17 49.766 1.946 3.986 1.00 0.00 H new ATOM 253 N HIS A 18 51.673 2.999 5.900 1.00 0.00 N ATOM 254 CA HIS A 18 52.526 4.082 6.368 1.00 0.00 C ATOM 255 C HIS A 18 53.565 3.543 7.340 1.00 0.00 C ATOM 256 O HIS A 18 53.257 2.697 8.181 1.00 0.00 O ATOM 257 CB HIS A 18 51.693 5.172 7.057 1.00 0.00 C ATOM 258 CG HIS A 18 50.562 5.700 6.223 1.00 0.00 C ATOM 259 ND1 HIS A 18 50.680 6.787 5.386 1.00 0.00 N ATOM 260 CD2 HIS A 18 49.280 5.280 6.106 1.00 0.00 C ATOM 261 CE1 HIS A 18 49.522 7.014 4.794 1.00 0.00 C ATOM 262 NE2 HIS A 18 48.655 6.113 5.213 1.00 0.00 N ATOM 0 H HIS A 18 51.072 2.594 6.618 1.00 0.00 H new ATOM 0 HA HIS A 18 53.028 4.519 5.505 1.00 0.00 H new ATOM 0 HB2 HIS A 18 51.288 4.771 7.986 1.00 0.00 H new ATOM 0 HB3 HIS A 18 52.349 6.000 7.326 1.00 0.00 H new ATOM 0 HD1 HIS A 18 51.530 7.332 5.245 1.00 0.00 H new ATOM 0 HD2 HIS A 18 48.832 4.443 6.621 1.00 0.00 H new ATOM 0 HE1 HIS A 18 49.319 7.804 4.086 1.00 0.00 H new ATOM 271 N ALA A 19 54.792 4.020 7.224 1.00 0.00 N ATOM 272 CA ALA A 19 55.853 3.604 8.123 1.00 0.00 C ATOM 273 C ALA A 19 56.270 4.758 9.017 1.00 0.00 C ATOM 274 O ALA A 19 56.824 5.750 8.544 1.00 0.00 O ATOM 275 CB ALA A 19 57.048 3.086 7.340 1.00 0.00 C ATOM 0 H ALA A 19 55.078 4.696 6.516 1.00 0.00 H new ATOM 0 HA ALA A 19 55.475 2.795 8.748 1.00 0.00 H new ATOM 0 HB1 ALA A 19 57.832 2.780 8.033 1.00 0.00 H new ATOM 0 HB2 ALA A 19 56.744 2.232 6.735 1.00 0.00 H new ATOM 0 HB3 ALA A 19 57.427 3.875 6.690 1.00 0.00 H new ATOM 281 N ARG A 20 55.994 4.646 10.302 1.00 0.00 N ATOM 282 CA ARG A 20 56.398 5.683 11.227 1.00 0.00 C ATOM 283 C ARG A 20 57.553 5.206 12.088 1.00 0.00 C ATOM 284 O ARG A 20 57.554 4.084 12.600 1.00 0.00 O ATOM 285 CB ARG A 20 55.236 6.150 12.108 1.00 0.00 C ATOM 286 CG ARG A 20 55.622 7.310 13.013 1.00 0.00 C ATOM 287 CD ARG A 20 54.441 7.874 13.783 1.00 0.00 C ATOM 288 NE ARG A 20 54.853 8.975 14.659 1.00 0.00 N ATOM 289 CZ ARG A 20 54.034 9.625 15.484 1.00 0.00 C ATOM 290 NH1 ARG A 20 52.738 9.348 15.499 1.00 0.00 N ATOM 291 NH2 ARG A 20 54.503 10.577 16.281 1.00 0.00 N ATOM 0 H ARG A 20 55.499 3.860 10.723 1.00 0.00 H new ATOM 0 HA ARG A 20 56.724 6.538 10.634 1.00 0.00 H new ATOM 0 HB2 ARG A 20 54.401 6.450 11.474 1.00 0.00 H new ATOM 0 HB3 ARG A 20 54.889 5.316 12.719 1.00 0.00 H new ATOM 0 HG2 ARG A 20 56.384 6.977 13.718 1.00 0.00 H new ATOM 0 HG3 ARG A 20 56.069 8.101 12.411 1.00 0.00 H new ATOM 0 HD2 ARG A 20 53.683 8.227 13.084 1.00 0.00 H new ATOM 0 HD3 ARG A 20 53.982 7.085 14.379 1.00 0.00 H new ATOM 0 HE ARG A 20 55.831 9.262 14.635 1.00 0.00 H new ATOM 0 HH11 ARG A 20 52.362 8.633 14.876 1.00 0.00 H new ATOM 0 HH12 ARG A 20 52.117 9.850 16.133 1.00 0.00 H new ATOM 0 HH21 ARG A 20 55.495 10.814 16.264 1.00 0.00 H new ATOM 0 HH22 ARG A 20 53.871 11.072 16.911 1.00 0.00 H new ATOM 305 N CYS A 21 58.546 6.063 12.212 1.00 0.00 N ATOM 306 CA CYS A 21 59.701 5.804 13.043 1.00 0.00 C ATOM 307 C CYS A 21 59.281 5.648 14.500 1.00 0.00 C ATOM 308 O CYS A 21 58.428 6.387 14.990 1.00 0.00 O ATOM 309 CB CYS A 21 60.683 6.968 12.931 1.00 0.00 C ATOM 310 SG CYS A 21 61.003 7.547 11.243 1.00 0.00 S ATOM 0 H CYS A 21 58.573 6.964 11.735 1.00 0.00 H new ATOM 0 HA CYS A 21 60.175 4.882 12.705 1.00 0.00 H new ATOM 0 HB2 CYS A 21 60.301 7.803 13.518 1.00 0.00 H new ATOM 0 HB3 CYS A 21 61.630 6.669 13.381 1.00 0.00 H new ATOM 0 HG CYS A 21 61.713 8.635 11.285 1.00 0.00 H new ATOM 315 N ARG A 22 59.875 4.692 15.188 1.00 0.00 N ATOM 316 CA ARG A 22 59.604 4.505 16.605 1.00 0.00 C ATOM 317 C ARG A 22 60.541 5.370 17.436 1.00 0.00 C ATOM 318 O ARG A 22 60.106 6.277 18.148 1.00 0.00 O ATOM 319 CB ARG A 22 59.768 3.037 17.005 1.00 0.00 C ATOM 320 CG ARG A 22 58.776 2.095 16.338 1.00 0.00 C ATOM 321 CD ARG A 22 57.339 2.527 16.584 1.00 0.00 C ATOM 322 NE ARG A 22 57.047 2.722 18.007 1.00 0.00 N ATOM 323 CZ ARG A 22 55.822 2.685 18.524 1.00 0.00 C ATOM 324 NH1 ARG A 22 54.788 2.344 17.765 1.00 0.00 N ATOM 325 NH2 ARG A 22 55.634 2.966 19.808 1.00 0.00 N ATOM 0 H ARG A 22 60.546 4.034 14.793 1.00 0.00 H new ATOM 0 HA ARG A 22 58.573 4.803 16.794 1.00 0.00 H new ATOM 0 HB2 ARG A 22 60.780 2.715 16.758 1.00 0.00 H new ATOM 0 HB3 ARG A 22 59.662 2.953 18.087 1.00 0.00 H new ATOM 0 HG2 ARG A 22 58.968 2.064 15.266 1.00 0.00 H new ATOM 0 HG3 ARG A 22 58.922 1.084 16.718 1.00 0.00 H new ATOM 0 HD2 ARG A 22 57.145 3.455 16.046 1.00 0.00 H new ATOM 0 HD3 ARG A 22 56.662 1.775 16.177 1.00 0.00 H new ATOM 0 HE ARG A 22 57.829 2.896 18.638 1.00 0.00 H new ATOM 0 HH11 ARG A 22 54.932 2.110 16.783 1.00 0.00 H new ATOM 0 HH12 ARG A 22 53.850 2.316 18.164 1.00 0.00 H new ATOM 0 HH21 ARG A 22 56.429 3.210 20.398 1.00 0.00 H new ATOM 0 HH22 ARG A 22 54.694 2.938 20.204 1.00 0.00 H new ATOM 339 N SER A 23 61.830 5.095 17.311 1.00 0.00 N ATOM 340 CA SER A 23 62.850 5.758 18.105 1.00 0.00 C ATOM 341 C SER A 23 62.915 7.257 17.810 1.00 0.00 C ATOM 342 O SER A 23 62.920 8.078 18.727 1.00 0.00 O ATOM 343 CB SER A 23 64.199 5.113 17.813 1.00 0.00 C ATOM 344 OG SER A 23 64.031 3.751 17.449 1.00 0.00 O ATOM 0 H SER A 23 62.198 4.405 16.656 1.00 0.00 H new ATOM 0 HA SER A 23 62.594 5.644 19.159 1.00 0.00 H new ATOM 0 HB2 SER A 23 64.699 5.651 17.008 1.00 0.00 H new ATOM 0 HB3 SER A 23 64.840 5.184 18.691 1.00 0.00 H new ATOM 0 HG SER A 23 64.906 3.310 17.419 1.00 0.00 H new ATOM 350 N CYS A 24 62.959 7.610 16.529 1.00 0.00 N ATOM 351 CA CYS A 24 63.097 9.006 16.135 1.00 0.00 C ATOM 352 C CYS A 24 61.734 9.701 16.005 1.00 0.00 C ATOM 353 O CYS A 24 61.607 10.888 16.304 1.00 0.00 O ATOM 354 CB CYS A 24 63.928 9.111 14.849 1.00 0.00 C ATOM 355 SG CYS A 24 63.664 7.771 13.652 1.00 0.00 S ATOM 0 H CYS A 24 62.901 6.953 15.751 1.00 0.00 H new ATOM 0 HA CYS A 24 63.631 9.535 16.925 1.00 0.00 H new ATOM 0 HB2 CYS A 24 63.701 10.061 14.364 1.00 0.00 H new ATOM 0 HB3 CYS A 24 64.984 9.135 15.118 1.00 0.00 H new ATOM 0 HG CYS A 24 62.912 8.198 12.681 1.00 0.00 H new ATOM 360 N GLY A 25 60.713 8.966 15.571 1.00 0.00 N ATOM 361 CA GLY A 25 59.352 9.483 15.639 1.00 0.00 C ATOM 362 C GLY A 25 58.773 9.967 14.315 1.00 0.00 C ATOM 363 O GLY A 25 57.552 10.100 14.199 1.00 0.00 O ATOM 0 H GLY A 25 60.800 8.029 15.176 1.00 0.00 H new ATOM 0 HA2 GLY A 25 58.704 8.702 16.037 1.00 0.00 H new ATOM 0 HA3 GLY A 25 59.330 10.309 16.350 1.00 0.00 H new ATOM 367 N GLU A 26 59.623 10.237 13.322 1.00 0.00 N ATOM 368 CA GLU A 26 59.150 10.760 12.030 1.00 0.00 C ATOM 369 C GLU A 26 58.183 9.786 11.364 1.00 0.00 C ATOM 370 O GLU A 26 58.174 8.599 11.670 1.00 0.00 O ATOM 371 CB GLU A 26 60.306 11.025 11.055 1.00 0.00 C ATOM 372 CG GLU A 26 61.458 11.835 11.622 1.00 0.00 C ATOM 373 CD GLU A 26 62.435 10.985 12.401 1.00 0.00 C ATOM 374 OE1 GLU A 26 62.536 9.761 12.110 1.00 0.00 O ATOM 375 OE2 GLU A 26 63.112 11.526 13.292 1.00 0.00 O ATOM 0 H GLU A 26 60.633 10.105 13.382 1.00 0.00 H new ATOM 0 HA GLU A 26 58.646 11.700 12.252 1.00 0.00 H new ATOM 0 HB2 GLU A 26 60.693 10.067 10.707 1.00 0.00 H new ATOM 0 HB3 GLU A 26 59.912 11.546 10.182 1.00 0.00 H new ATOM 0 HG2 GLU A 26 61.984 12.333 10.807 1.00 0.00 H new ATOM 0 HG3 GLU A 26 61.063 12.617 12.271 1.00 0.00 H new ATOM 382 N PHE A 27 57.372 10.289 10.450 1.00 0.00 N ATOM 383 CA PHE A 27 56.486 9.438 9.672 1.00 0.00 C ATOM 384 C PHE A 27 56.881 9.492 8.201 1.00 0.00 C ATOM 385 O PHE A 27 57.074 10.570 7.638 1.00 0.00 O ATOM 386 CB PHE A 27 55.016 9.839 9.871 1.00 0.00 C ATOM 387 CG PHE A 27 54.726 11.296 9.630 1.00 0.00 C ATOM 388 CD1 PHE A 27 54.909 12.229 10.640 1.00 0.00 C ATOM 389 CD2 PHE A 27 54.268 11.730 8.398 1.00 0.00 C ATOM 390 CE1 PHE A 27 54.640 13.566 10.423 1.00 0.00 C ATOM 391 CE2 PHE A 27 53.997 13.066 8.175 1.00 0.00 C ATOM 392 CZ PHE A 27 54.186 13.985 9.189 1.00 0.00 C ATOM 0 H PHE A 27 57.308 11.282 10.228 1.00 0.00 H new ATOM 0 HA PHE A 27 56.589 8.411 10.022 1.00 0.00 H new ATOM 0 HB2 PHE A 27 54.397 9.243 9.201 1.00 0.00 H new ATOM 0 HB3 PHE A 27 54.719 9.586 10.889 1.00 0.00 H new ATOM 0 HD1 PHE A 27 55.266 11.906 11.607 1.00 0.00 H new ATOM 0 HD2 PHE A 27 54.121 11.016 7.602 1.00 0.00 H new ATOM 0 HE1 PHE A 27 54.785 14.283 11.218 1.00 0.00 H new ATOM 0 HE2 PHE A 27 53.638 13.391 7.210 1.00 0.00 H new ATOM 0 HZ PHE A 27 53.979 15.031 9.016 1.00 0.00 H new ATOM 402 N ILE A 28 57.034 8.326 7.595 1.00 0.00 N ATOM 403 CA ILE A 28 57.478 8.234 6.215 1.00 0.00 C ATOM 404 C ILE A 28 56.394 7.612 5.342 1.00 0.00 C ATOM 405 O ILE A 28 55.840 6.561 5.673 1.00 0.00 O ATOM 406 CB ILE A 28 58.772 7.393 6.096 1.00 0.00 C ATOM 407 CG1 ILE A 28 59.869 7.963 7.006 1.00 0.00 C ATOM 408 CG2 ILE A 28 59.253 7.349 4.649 1.00 0.00 C ATOM 409 CD1 ILE A 28 61.157 7.167 6.982 1.00 0.00 C ATOM 0 H ILE A 28 56.856 7.426 8.040 1.00 0.00 H new ATOM 0 HA ILE A 28 57.684 9.248 5.872 1.00 0.00 H new ATOM 0 HB ILE A 28 58.549 6.375 6.416 1.00 0.00 H new ATOM 0 HG12 ILE A 28 60.081 8.989 6.705 1.00 0.00 H new ATOM 0 HG13 ILE A 28 59.496 8.002 8.029 1.00 0.00 H new ATOM 0 HG21 ILE A 28 60.164 6.753 4.586 1.00 0.00 H new ATOM 0 HG22 ILE A 28 58.482 6.900 4.023 1.00 0.00 H new ATOM 0 HG23 ILE A 28 59.458 8.362 4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 28 61.884 7.631 7.649 1.00 0.00 H new ATOM 0 HD12 ILE A 28 60.961 6.147 7.312 1.00 0.00 H new ATOM 0 HD13 ILE A 28 61.555 7.150 5.967 1.00 0.00 H new ATOM 421 N GLU A 29 56.085 8.274 4.236 1.00 0.00 N ATOM 422 CA GLU A 29 55.143 7.739 3.269 1.00 0.00 C ATOM 423 C GLU A 29 55.887 6.847 2.286 1.00 0.00 C ATOM 424 O GLU A 29 57.040 7.120 1.945 1.00 0.00 O ATOM 425 CB GLU A 29 54.439 8.877 2.526 1.00 0.00 C ATOM 426 CG GLU A 29 53.742 9.866 3.447 1.00 0.00 C ATOM 427 CD GLU A 29 52.542 9.270 4.153 1.00 0.00 C ATOM 428 OE1 GLU A 29 52.724 8.382 5.009 1.00 0.00 O ATOM 429 OE2 GLU A 29 51.406 9.693 3.858 1.00 0.00 O ATOM 0 H GLU A 29 56.475 9.183 3.988 1.00 0.00 H new ATOM 0 HA GLU A 29 54.386 7.152 3.789 1.00 0.00 H new ATOM 0 HB2 GLU A 29 55.171 9.411 1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 29 53.706 8.453 1.840 1.00 0.00 H new ATOM 0 HG2 GLU A 29 54.453 10.225 4.191 1.00 0.00 H new ATOM 0 HG3 GLU A 29 53.423 10.732 2.867 1.00 0.00 H new ATOM 436 N MET A 30 55.249 5.778 1.843 1.00 0.00 N ATOM 437 CA MET A 30 55.901 4.845 0.940 1.00 0.00 C ATOM 438 C MET A 30 55.059 4.615 -0.308 1.00 0.00 C ATOM 439 O MET A 30 53.831 4.699 -0.269 1.00 0.00 O ATOM 440 CB MET A 30 56.201 3.523 1.647 1.00 0.00 C ATOM 441 CG MET A 30 57.094 3.689 2.869 1.00 0.00 C ATOM 442 SD MET A 30 57.742 2.127 3.485 1.00 0.00 S ATOM 443 CE MET A 30 58.823 1.660 2.136 1.00 0.00 C ATOM 0 H MET A 30 54.290 5.535 2.090 1.00 0.00 H new ATOM 0 HA MET A 30 56.849 5.285 0.629 1.00 0.00 H new ATOM 0 HB2 MET A 30 55.263 3.059 1.950 1.00 0.00 H new ATOM 0 HB3 MET A 30 56.681 2.842 0.944 1.00 0.00 H new ATOM 0 HG2 MET A 30 57.926 4.347 2.617 1.00 0.00 H new ATOM 0 HG3 MET A 30 56.528 4.179 3.661 1.00 0.00 H new ATOM 0 HE1 MET A 30 58.664 0.610 1.889 1.00 0.00 H new ATOM 0 HE2 MET A 30 58.603 2.276 1.264 1.00 0.00 H new ATOM 0 HE3 MET A 30 59.861 1.809 2.433 1.00 0.00 H new ATOM 453 N LYS A 31 55.734 4.343 -1.411 1.00 0.00 N ATOM 454 CA LYS A 31 55.086 4.191 -2.703 1.00 0.00 C ATOM 455 C LYS A 31 55.111 2.727 -3.137 1.00 0.00 C ATOM 456 O LYS A 31 56.157 2.079 -3.091 1.00 0.00 O ATOM 457 CB LYS A 31 55.805 5.070 -3.733 1.00 0.00 C ATOM 458 CG LYS A 31 55.096 5.180 -5.071 1.00 0.00 C ATOM 459 CD LYS A 31 55.863 6.080 -6.031 1.00 0.00 C ATOM 460 CE LYS A 31 56.034 7.491 -5.473 1.00 0.00 C ATOM 461 NZ LYS A 31 56.717 8.394 -6.439 1.00 0.00 N ATOM 0 H LYS A 31 56.746 4.221 -1.437 1.00 0.00 H new ATOM 0 HA LYS A 31 54.045 4.505 -2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 31 55.926 6.070 -3.317 1.00 0.00 H new ATOM 0 HB3 LYS A 31 56.805 4.670 -3.898 1.00 0.00 H new ATOM 0 HG2 LYS A 31 54.985 4.188 -5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 31 54.092 5.576 -4.921 1.00 0.00 H new ATOM 0 HD2 LYS A 31 56.843 5.647 -6.230 1.00 0.00 H new ATOM 0 HD3 LYS A 31 55.336 6.128 -6.984 1.00 0.00 H new ATOM 0 HE2 LYS A 31 55.056 7.902 -5.221 1.00 0.00 H new ATOM 0 HE3 LYS A 31 56.609 7.448 -4.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 56.813 9.341 -6.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 57.660 8.016 -6.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 56.156 8.456 -7.312 1.00 0.00 H new ATOM 475 N ALA A 32 53.958 2.212 -3.546 1.00 0.00 N ATOM 476 CA ALA A 32 53.838 0.813 -3.933 1.00 0.00 C ATOM 477 C ALA A 32 54.057 0.636 -5.431 1.00 0.00 C ATOM 478 O ALA A 32 53.324 1.199 -6.248 1.00 0.00 O ATOM 479 CB ALA A 32 52.473 0.270 -3.534 1.00 0.00 C ATOM 0 H ALA A 32 53.091 2.744 -3.618 1.00 0.00 H new ATOM 0 HA ALA A 32 54.611 0.251 -3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 32 52.397 -0.776 -3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 32 52.350 0.352 -2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 32 51.693 0.845 -4.033 1.00 0.00 H new ATOM 485 N LEU A 33 55.073 -0.142 -5.782 1.00 0.00 N ATOM 486 CA LEU A 33 55.385 -0.420 -7.177 1.00 0.00 C ATOM 487 C LEU A 33 55.139 -1.893 -7.497 1.00 0.00 C ATOM 488 O LEU A 33 55.456 -2.775 -6.699 1.00 0.00 O ATOM 489 CB LEU A 33 56.847 -0.073 -7.480 1.00 0.00 C ATOM 490 CG LEU A 33 57.263 1.372 -7.183 1.00 0.00 C ATOM 491 CD1 LEU A 33 58.733 1.575 -7.520 1.00 0.00 C ATOM 492 CD2 LEU A 33 56.402 2.350 -7.967 1.00 0.00 C ATOM 0 H LEU A 33 55.698 -0.594 -5.115 1.00 0.00 H new ATOM 0 HA LEU A 33 54.734 0.196 -7.797 1.00 0.00 H new ATOM 0 HB2 LEU A 33 57.487 -0.741 -6.904 1.00 0.00 H new ATOM 0 HB3 LEU A 33 57.039 -0.278 -8.533 1.00 0.00 H new ATOM 0 HG LEU A 33 57.116 1.562 -6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 33 59.017 2.605 -7.305 1.00 0.00 H new ATOM 0 HD12 LEU A 33 59.341 0.898 -6.919 1.00 0.00 H new ATOM 0 HD13 LEU A 33 58.896 1.367 -8.578 1.00 0.00 H new ATOM 0 HD21 LEU A 33 56.713 3.370 -7.742 1.00 0.00 H new ATOM 0 HD22 LEU A 33 56.518 2.162 -9.034 1.00 0.00 H new ATOM 0 HD23 LEU A 33 55.357 2.220 -7.687 1.00 0.00 H new ATOM 504 N CYS A 34 54.584 -2.148 -8.670 1.00 0.00 N ATOM 505 CA CYS A 34 54.331 -3.508 -9.127 1.00 0.00 C ATOM 506 C CYS A 34 55.647 -4.132 -9.587 1.00 0.00 C ATOM 507 O CYS A 34 56.266 -3.631 -10.511 1.00 0.00 O ATOM 508 CB CYS A 34 53.314 -3.475 -10.276 1.00 0.00 C ATOM 509 SG CYS A 34 52.739 -5.095 -10.852 1.00 0.00 S ATOM 0 H CYS A 34 54.297 -1.425 -9.330 1.00 0.00 H new ATOM 0 HA CYS A 34 53.921 -4.110 -8.316 1.00 0.00 H new ATOM 0 HB2 CYS A 34 52.449 -2.894 -9.956 1.00 0.00 H new ATOM 0 HB3 CYS A 34 53.760 -2.946 -11.118 1.00 0.00 H new ATOM 0 HG CYS A 34 53.076 -5.258 -12.097 1.00 0.00 H new ATOM 514 N PRO A 35 56.086 -5.229 -8.945 1.00 0.00 N ATOM 515 CA PRO A 35 57.419 -5.822 -9.177 1.00 0.00 C ATOM 516 C PRO A 35 57.755 -6.043 -10.657 1.00 0.00 C ATOM 517 O PRO A 35 58.867 -5.751 -11.102 1.00 0.00 O ATOM 518 CB PRO A 35 57.337 -7.160 -8.444 1.00 0.00 C ATOM 519 CG PRO A 35 56.334 -6.937 -7.366 1.00 0.00 C ATOM 520 CD PRO A 35 55.318 -5.986 -7.935 1.00 0.00 C ATOM 0 HA PRO A 35 58.209 -5.159 -8.825 1.00 0.00 H new ATOM 0 HB2 PRO A 35 57.027 -7.961 -9.115 1.00 0.00 H new ATOM 0 HB3 PRO A 35 58.305 -7.446 -8.032 1.00 0.00 H new ATOM 0 HG2 PRO A 35 55.866 -7.875 -7.068 1.00 0.00 H new ATOM 0 HG3 PRO A 35 56.804 -6.519 -6.476 1.00 0.00 H new ATOM 0 HD2 PRO A 35 54.478 -6.516 -8.383 1.00 0.00 H new ATOM 0 HD3 PRO A 35 54.908 -5.330 -7.167 1.00 0.00 H new ATOM 528 N ASP A 36 56.786 -6.552 -11.407 1.00 0.00 N ATOM 529 CA ASP A 36 56.966 -6.855 -12.828 1.00 0.00 C ATOM 530 C ASP A 36 57.237 -5.602 -13.669 1.00 0.00 C ATOM 531 O ASP A 36 58.356 -5.389 -14.133 1.00 0.00 O ATOM 532 CB ASP A 36 55.735 -7.596 -13.364 1.00 0.00 C ATOM 533 CG ASP A 36 54.444 -7.087 -12.755 1.00 0.00 C ATOM 534 OD1 ASP A 36 53.927 -6.031 -13.196 1.00 0.00 O ATOM 535 OD2 ASP A 36 53.943 -7.720 -11.815 1.00 0.00 O ATOM 0 H ASP A 36 55.854 -6.767 -11.052 1.00 0.00 H new ATOM 0 HA ASP A 36 57.847 -7.491 -12.913 1.00 0.00 H new ATOM 0 HB2 ASP A 36 55.691 -7.485 -14.447 1.00 0.00 H new ATOM 0 HB3 ASP A 36 55.836 -8.661 -13.156 1.00 0.00 H new ATOM 540 N CYS A 37 56.214 -4.783 -13.867 1.00 0.00 N ATOM 541 CA CYS A 37 56.328 -3.583 -14.695 1.00 0.00 C ATOM 542 C CYS A 37 57.099 -2.477 -13.979 1.00 0.00 C ATOM 543 O CYS A 37 57.522 -1.501 -14.595 1.00 0.00 O ATOM 544 CB CYS A 37 54.930 -3.097 -15.101 1.00 0.00 C ATOM 545 SG CYS A 37 53.671 -3.260 -13.802 1.00 0.00 S ATOM 0 H CYS A 37 55.288 -4.926 -13.464 1.00 0.00 H new ATOM 0 HA CYS A 37 56.891 -3.840 -15.592 1.00 0.00 H new ATOM 0 HB2 CYS A 37 54.995 -2.050 -15.398 1.00 0.00 H new ATOM 0 HB3 CYS A 37 54.604 -3.657 -15.978 1.00 0.00 H new ATOM 0 HG CYS A 37 53.346 -4.511 -13.668 1.00 0.00 H new ATOM 550 N HIS A 38 57.263 -2.648 -12.672 1.00 0.00 N ATOM 551 CA HIS A 38 58.006 -1.722 -11.812 1.00 0.00 C ATOM 552 C HIS A 38 57.364 -0.340 -11.773 1.00 0.00 C ATOM 553 O HIS A 38 57.993 0.637 -11.372 1.00 0.00 O ATOM 554 CB HIS A 38 59.471 -1.623 -12.238 1.00 0.00 C ATOM 555 CG HIS A 38 60.415 -1.786 -11.089 1.00 0.00 C ATOM 556 ND1 HIS A 38 61.414 -2.727 -11.069 1.00 0.00 N ATOM 557 CD2 HIS A 38 60.482 -1.148 -9.898 1.00 0.00 C ATOM 558 CE1 HIS A 38 62.054 -2.664 -9.919 1.00 0.00 C ATOM 559 NE2 HIS A 38 61.507 -1.715 -9.180 1.00 0.00 N ATOM 0 H HIS A 38 56.878 -3.447 -12.167 1.00 0.00 H new ATOM 0 HA HIS A 38 57.970 -2.131 -10.802 1.00 0.00 H new ATOM 0 HB2 HIS A 38 59.680 -2.387 -12.987 1.00 0.00 H new ATOM 0 HB3 HIS A 38 59.644 -0.656 -12.711 1.00 0.00 H new ATOM 0 HD2 HIS A 38 59.845 -0.339 -9.571 1.00 0.00 H new ATOM 0 HE1 HIS A 38 62.888 -3.285 -9.628 1.00 0.00 H new ATOM 0 HE2 HIS A 38 61.796 -1.449 -8.239 1.00 0.00 H new ATOM 568 N GLN A 39 56.104 -0.272 -12.168 1.00 0.00 N ATOM 569 CA GLN A 39 55.348 0.967 -12.116 1.00 0.00 C ATOM 570 C GLN A 39 54.342 0.922 -10.968 1.00 0.00 C ATOM 571 O GLN A 39 53.973 -0.162 -10.510 1.00 0.00 O ATOM 572 CB GLN A 39 54.658 1.217 -13.461 1.00 0.00 C ATOM 573 CG GLN A 39 55.624 1.655 -14.553 1.00 0.00 C ATOM 574 CD GLN A 39 54.967 1.779 -15.912 1.00 0.00 C ATOM 575 OE1 GLN A 39 53.771 2.047 -16.019 1.00 0.00 O ATOM 576 NE2 GLN A 39 55.750 1.599 -16.965 1.00 0.00 N ATOM 0 H GLN A 39 55.580 -1.068 -12.531 1.00 0.00 H new ATOM 0 HA GLN A 39 56.028 1.798 -11.929 1.00 0.00 H new ATOM 0 HB2 GLN A 39 54.150 0.306 -13.777 1.00 0.00 H new ATOM 0 HB3 GLN A 39 53.892 1.982 -13.333 1.00 0.00 H new ATOM 0 HG2 GLN A 39 56.062 2.615 -14.279 1.00 0.00 H new ATOM 0 HG3 GLN A 39 56.442 0.937 -14.616 1.00 0.00 H new ATOM 0 HE21 GLN A 39 56.737 1.378 -16.835 1.00 0.00 H new ATOM 0 HE22 GLN A 39 55.366 1.681 -17.906 1.00 0.00 H new ATOM 585 N PRO A 40 53.907 2.095 -10.474 1.00 0.00 N ATOM 586 CA PRO A 40 53.032 2.199 -9.294 1.00 0.00 C ATOM 587 C PRO A 40 51.689 1.493 -9.462 1.00 0.00 C ATOM 588 O PRO A 40 51.213 1.276 -10.578 1.00 0.00 O ATOM 589 CB PRO A 40 52.821 3.709 -9.125 1.00 0.00 C ATOM 590 CG PRO A 40 53.163 4.301 -10.447 1.00 0.00 C ATOM 591 CD PRO A 40 54.233 3.421 -11.023 1.00 0.00 C ATOM 0 HA PRO A 40 53.488 1.713 -8.431 1.00 0.00 H new ATOM 0 HB2 PRO A 40 51.791 3.934 -8.847 1.00 0.00 H new ATOM 0 HB3 PRO A 40 53.459 4.110 -8.337 1.00 0.00 H new ATOM 0 HG2 PRO A 40 52.290 4.333 -11.099 1.00 0.00 H new ATOM 0 HG3 PRO A 40 53.517 5.326 -10.337 1.00 0.00 H new ATOM 0 HD2 PRO A 40 54.212 3.422 -12.113 1.00 0.00 H new ATOM 0 HD3 PRO A 40 55.229 3.748 -10.723 1.00 0.00 H new ATOM 599 N LEU A 41 51.088 1.132 -8.336 1.00 0.00 N ATOM 600 CA LEU A 41 49.797 0.463 -8.336 1.00 0.00 C ATOM 601 C LEU A 41 48.669 1.447 -8.051 1.00 0.00 C ATOM 602 O LEU A 41 48.859 2.449 -7.361 1.00 0.00 O ATOM 603 CB LEU A 41 49.779 -0.656 -7.294 1.00 0.00 C ATOM 604 CG LEU A 41 50.684 -1.848 -7.603 1.00 0.00 C ATOM 605 CD1 LEU A 41 50.649 -2.847 -6.461 1.00 0.00 C ATOM 606 CD2 LEU A 41 50.257 -2.512 -8.898 1.00 0.00 C ATOM 0 H LEU A 41 51.478 1.293 -7.407 1.00 0.00 H new ATOM 0 HA LEU A 41 49.642 0.036 -9.327 1.00 0.00 H new ATOM 0 HB2 LEU A 41 50.072 -0.238 -6.331 1.00 0.00 H new ATOM 0 HB3 LEU A 41 48.755 -1.015 -7.188 1.00 0.00 H new ATOM 0 HG LEU A 41 51.706 -1.488 -7.718 1.00 0.00 H new ATOM 0 HD11 LEU A 41 51.298 -3.691 -6.695 1.00 0.00 H new ATOM 0 HD12 LEU A 41 50.995 -2.366 -5.546 1.00 0.00 H new ATOM 0 HD13 LEU A 41 49.628 -3.203 -6.320 1.00 0.00 H new ATOM 0 HD21 LEU A 41 50.911 -3.359 -9.105 1.00 0.00 H new ATOM 0 HD22 LEU A 41 49.229 -2.861 -8.806 1.00 0.00 H new ATOM 0 HD23 LEU A 41 50.325 -1.793 -9.715 1.00 0.00 H new ATOM 618 N GLN A 42 47.501 1.145 -8.589 1.00 0.00 N ATOM 619 CA GLN A 42 46.309 1.939 -8.355 1.00 0.00 C ATOM 620 C GLN A 42 45.720 1.585 -6.997 1.00 0.00 C ATOM 621 O GLN A 42 45.267 0.456 -6.783 1.00 0.00 O ATOM 622 CB GLN A 42 45.289 1.681 -9.475 1.00 0.00 C ATOM 623 CG GLN A 42 43.911 2.289 -9.242 1.00 0.00 C ATOM 624 CD GLN A 42 43.925 3.800 -9.143 1.00 0.00 C ATOM 625 OE1 GLN A 42 44.775 4.471 -9.728 1.00 0.00 O ATOM 626 NE2 GLN A 42 42.971 4.348 -8.409 1.00 0.00 N ATOM 0 H GLN A 42 47.352 0.342 -9.200 1.00 0.00 H new ATOM 0 HA GLN A 42 46.565 2.998 -8.357 1.00 0.00 H new ATOM 0 HB2 GLN A 42 45.690 2.074 -10.409 1.00 0.00 H new ATOM 0 HB3 GLN A 42 45.178 0.604 -9.604 1.00 0.00 H new ATOM 0 HG2 GLN A 42 43.250 1.993 -10.056 1.00 0.00 H new ATOM 0 HG3 GLN A 42 43.491 1.877 -8.324 1.00 0.00 H new ATOM 0 HE21 GLN A 42 42.285 3.756 -7.940 1.00 0.00 H new ATOM 0 HE22 GLN A 42 42.921 5.362 -8.312 1.00 0.00 H new ATOM 635 N VAL A 43 45.756 2.537 -6.077 1.00 0.00 N ATOM 636 CA VAL A 43 45.226 2.326 -4.742 1.00 0.00 C ATOM 637 C VAL A 43 43.705 2.341 -4.779 1.00 0.00 C ATOM 638 O VAL A 43 43.086 3.385 -5.008 1.00 0.00 O ATOM 639 CB VAL A 43 45.725 3.402 -3.753 1.00 0.00 C ATOM 640 CG1 VAL A 43 45.244 3.105 -2.341 1.00 0.00 C ATOM 641 CG2 VAL A 43 47.242 3.510 -3.797 1.00 0.00 C ATOM 0 H VAL A 43 46.148 3.465 -6.233 1.00 0.00 H new ATOM 0 HA VAL A 43 45.581 1.355 -4.396 1.00 0.00 H new ATOM 0 HB VAL A 43 45.307 4.362 -4.056 1.00 0.00 H new ATOM 0 HG11 VAL A 43 45.608 3.877 -1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 43 44.154 3.091 -2.323 1.00 0.00 H new ATOM 0 HG13 VAL A 43 45.624 2.134 -2.024 1.00 0.00 H new ATOM 0 HG21 VAL A 43 47.573 4.274 -3.093 1.00 0.00 H new ATOM 0 HG22 VAL A 43 47.683 2.551 -3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 43 47.558 3.783 -4.804 1.00 0.00 H new ATOM 651 N LEU A 44 43.108 1.178 -4.576 1.00 0.00 N ATOM 652 CA LEU A 44 41.666 1.044 -4.621 1.00 0.00 C ATOM 653 C LEU A 44 41.055 1.363 -3.264 1.00 0.00 C ATOM 654 O LEU A 44 40.945 0.488 -2.405 1.00 0.00 O ATOM 655 CB LEU A 44 41.263 -0.372 -5.041 1.00 0.00 C ATOM 656 CG LEU A 44 41.785 -0.837 -6.401 1.00 0.00 C ATOM 657 CD1 LEU A 44 41.350 -2.269 -6.668 1.00 0.00 C ATOM 658 CD2 LEU A 44 41.298 0.085 -7.509 1.00 0.00 C ATOM 0 H LEU A 44 43.605 0.310 -4.378 1.00 0.00 H new ATOM 0 HA LEU A 44 41.290 1.753 -5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 44 41.614 -1.070 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 44 40.175 -0.432 -5.051 1.00 0.00 H new ATOM 0 HG LEU A 44 42.874 -0.800 -6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 44 41.728 -2.589 -7.639 1.00 0.00 H new ATOM 0 HD12 LEU A 44 41.749 -2.921 -5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 44 40.261 -2.325 -6.666 1.00 0.00 H new ATOM 0 HD21 LEU A 44 41.681 -0.264 -8.468 1.00 0.00 H new ATOM 0 HD22 LEU A 44 40.208 0.083 -7.531 1.00 0.00 H new ATOM 0 HD23 LEU A 44 41.655 1.098 -7.323 1.00 0.00 H new ATOM 670 N LYS A 45 40.692 2.619 -3.064 1.00 0.00 N ATOM 671 CA LYS A 45 39.990 3.016 -1.856 1.00 0.00 C ATOM 672 C LYS A 45 38.500 2.759 -2.040 1.00 0.00 C ATOM 673 O LYS A 45 37.757 3.624 -2.507 1.00 0.00 O ATOM 674 CB LYS A 45 40.248 4.494 -1.529 1.00 0.00 C ATOM 675 CG LYS A 45 39.571 4.973 -0.250 1.00 0.00 C ATOM 676 CD LYS A 45 39.771 6.466 -0.036 1.00 0.00 C ATOM 677 CE LYS A 45 41.208 6.807 0.331 1.00 0.00 C ATOM 678 NZ LYS A 45 41.533 6.457 1.742 1.00 0.00 N ATOM 0 H LYS A 45 40.871 3.379 -3.721 1.00 0.00 H new ATOM 0 HA LYS A 45 40.361 2.426 -1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 45 41.323 4.654 -1.441 1.00 0.00 H new ATOM 0 HB3 LYS A 45 39.902 5.106 -2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 45 38.505 4.751 -0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 45 39.973 4.426 0.602 1.00 0.00 H new ATOM 0 HD2 LYS A 45 39.493 7.002 -0.944 1.00 0.00 H new ATOM 0 HD3 LYS A 45 39.104 6.810 0.755 1.00 0.00 H new ATOM 0 HE2 LYS A 45 41.886 6.277 -0.337 1.00 0.00 H new ATOM 0 HE3 LYS A 45 41.376 7.873 0.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 42.522 6.708 1.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 40.905 6.982 2.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 41.399 5.436 1.886 1.00 0.00 H new ATOM 692 N ALA A 46 38.081 1.546 -1.718 1.00 0.00 N ATOM 693 CA ALA A 46 36.700 1.139 -1.904 1.00 0.00 C ATOM 694 C ALA A 46 35.928 1.232 -0.594 1.00 0.00 C ATOM 695 O ALA A 46 36.427 1.776 0.393 1.00 0.00 O ATOM 696 CB ALA A 46 36.646 -0.276 -2.462 1.00 0.00 C ATOM 0 H ALA A 46 38.683 0.823 -1.324 1.00 0.00 H new ATOM 0 HA ALA A 46 36.230 1.815 -2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 46 35.606 -0.574 -2.599 1.00 0.00 H new ATOM 0 HB2 ALA A 46 37.162 -0.309 -3.422 1.00 0.00 H new ATOM 0 HB3 ALA A 46 37.131 -0.960 -1.766 1.00 0.00 H new ATOM 702 N CYS A 47 34.715 0.694 -0.583 1.00 0.00 N ATOM 703 CA CYS A 47 33.865 0.756 0.597 1.00 0.00 C ATOM 704 C CYS A 47 34.332 -0.230 1.667 1.00 0.00 C ATOM 705 O CYS A 47 33.889 -1.377 1.708 1.00 0.00 O ATOM 706 CB CYS A 47 32.411 0.477 0.214 1.00 0.00 C ATOM 707 SG CYS A 47 31.776 1.570 -1.076 1.00 0.00 S ATOM 0 H CYS A 47 34.299 0.210 -1.378 1.00 0.00 H new ATOM 0 HA CYS A 47 33.936 1.761 1.014 1.00 0.00 H new ATOM 0 HB2 CYS A 47 32.325 -0.556 -0.123 1.00 0.00 H new ATOM 0 HB3 CYS A 47 31.786 0.576 1.101 1.00 0.00 H new ATOM 0 HG CYS A 47 30.541 1.261 -1.338 1.00 0.00 H new ATOM 713 N GLY A 48 35.264 0.213 2.502 1.00 0.00 N ATOM 714 CA GLY A 48 35.734 -0.611 3.599 1.00 0.00 C ATOM 715 C GLY A 48 36.913 -1.479 3.210 1.00 0.00 C ATOM 716 O GLY A 48 37.516 -2.139 4.058 1.00 0.00 O ATOM 0 H GLY A 48 35.704 1.131 2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 48 36.018 0.029 4.434 1.00 0.00 H new ATOM 0 HA3 GLY A 48 34.919 -1.246 3.947 1.00 0.00 H new ATOM 720 N ALA A 49 37.248 -1.478 1.930 1.00 0.00 N ATOM 721 CA ALA A 49 38.339 -2.296 1.431 1.00 0.00 C ATOM 722 C ALA A 49 39.332 -1.451 0.646 1.00 0.00 C ATOM 723 O ALA A 49 38.946 -0.665 -0.216 1.00 0.00 O ATOM 724 CB ALA A 49 37.799 -3.425 0.564 1.00 0.00 C ATOM 0 H ALA A 49 36.779 -0.919 1.218 1.00 0.00 H new ATOM 0 HA ALA A 49 38.861 -2.730 2.284 1.00 0.00 H new ATOM 0 HB1 ALA A 49 38.628 -4.030 0.197 1.00 0.00 H new ATOM 0 HB2 ALA A 49 37.128 -4.049 1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 49 37.254 -3.006 -0.281 1.00 0.00 H new ATOM 730 N VAL A 50 40.605 -1.611 0.959 1.00 0.00 N ATOM 731 CA VAL A 50 41.663 -0.906 0.256 1.00 0.00 C ATOM 732 C VAL A 50 42.654 -1.915 -0.306 1.00 0.00 C ATOM 733 O VAL A 50 43.303 -2.647 0.448 1.00 0.00 O ATOM 734 CB VAL A 50 42.404 0.087 1.178 1.00 0.00 C ATOM 735 CG1 VAL A 50 43.479 0.842 0.408 1.00 0.00 C ATOM 736 CG2 VAL A 50 41.425 1.059 1.818 1.00 0.00 C ATOM 0 H VAL A 50 40.934 -2.228 1.702 1.00 0.00 H new ATOM 0 HA VAL A 50 41.206 -0.333 -0.551 1.00 0.00 H new ATOM 0 HB VAL A 50 42.889 -0.484 1.970 1.00 0.00 H new ATOM 0 HG11 VAL A 50 43.987 1.535 1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 50 44.202 0.134 0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 50 43.019 1.398 -0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 50 41.968 1.750 2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 50 40.908 1.620 1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 50 40.697 0.505 2.410 1.00 0.00 H new ATOM 746 N ASP A 51 42.753 -1.970 -1.624 1.00 0.00 N ATOM 747 CA ASP A 51 43.619 -2.944 -2.274 1.00 0.00 C ATOM 748 C ASP A 51 44.449 -2.270 -3.364 1.00 0.00 C ATOM 749 O ASP A 51 44.404 -1.047 -3.516 1.00 0.00 O ATOM 750 CB ASP A 51 42.783 -4.081 -2.860 1.00 0.00 C ATOM 751 CG ASP A 51 43.543 -5.391 -2.883 1.00 0.00 C ATOM 752 OD1 ASP A 51 44.315 -5.620 -3.830 1.00 0.00 O ATOM 753 OD2 ASP A 51 43.381 -6.188 -1.933 1.00 0.00 O ATOM 0 H ASP A 51 42.248 -1.356 -2.263 1.00 0.00 H new ATOM 0 HA ASP A 51 44.300 -3.361 -1.532 1.00 0.00 H new ATOM 0 HB2 ASP A 51 41.872 -4.201 -2.273 1.00 0.00 H new ATOM 0 HB3 ASP A 51 42.478 -3.821 -3.874 1.00 0.00 H new ATOM 758 N TYR A 52 45.193 -3.062 -4.127 1.00 0.00 N ATOM 759 CA TYR A 52 46.100 -2.518 -5.130 1.00 0.00 C ATOM 760 C TYR A 52 45.890 -3.174 -6.489 1.00 0.00 C ATOM 761 O TYR A 52 46.077 -4.380 -6.656 1.00 0.00 O ATOM 762 CB TYR A 52 47.554 -2.683 -4.690 1.00 0.00 C ATOM 763 CG TYR A 52 47.949 -1.792 -3.535 1.00 0.00 C ATOM 764 CD1 TYR A 52 48.361 -0.484 -3.755 1.00 0.00 C ATOM 765 CD2 TYR A 52 47.910 -2.254 -2.226 1.00 0.00 C ATOM 766 CE1 TYR A 52 48.725 0.336 -2.705 1.00 0.00 C ATOM 767 CE2 TYR A 52 48.273 -1.440 -1.169 1.00 0.00 C ATOM 768 CZ TYR A 52 48.678 -0.146 -1.414 1.00 0.00 C ATOM 769 OH TYR A 52 49.040 0.668 -0.366 1.00 0.00 O ATOM 0 H TYR A 52 45.186 -4.080 -4.071 1.00 0.00 H new ATOM 0 HA TYR A 52 45.877 -1.456 -5.228 1.00 0.00 H new ATOM 0 HB2 TYR A 52 47.722 -3.722 -4.408 1.00 0.00 H new ATOM 0 HB3 TYR A 52 48.206 -2.473 -5.538 1.00 0.00 H new ATOM 0 HD1 TYR A 52 48.397 -0.102 -4.764 1.00 0.00 H new ATOM 0 HD2 TYR A 52 47.591 -3.267 -2.030 1.00 0.00 H new ATOM 0 HE1 TYR A 52 49.045 1.350 -2.894 1.00 0.00 H new ATOM 0 HE2 TYR A 52 48.239 -1.816 -0.157 1.00 0.00 H new ATOM 0 HH TYR A 52 48.949 0.176 0.477 1.00 0.00 H new ATOM 779 N PHE A 53 45.509 -2.358 -7.459 1.00 0.00 N ATOM 780 CA PHE A 53 45.278 -2.822 -8.817 1.00 0.00 C ATOM 781 C PHE A 53 46.403 -2.349 -9.730 1.00 0.00 C ATOM 782 O PHE A 53 46.780 -1.180 -9.706 1.00 0.00 O ATOM 783 CB PHE A 53 43.926 -2.298 -9.315 1.00 0.00 C ATOM 784 CG PHE A 53 43.615 -2.629 -10.747 1.00 0.00 C ATOM 785 CD1 PHE A 53 43.217 -3.904 -11.108 1.00 0.00 C ATOM 786 CD2 PHE A 53 43.707 -1.657 -11.730 1.00 0.00 C ATOM 787 CE1 PHE A 53 42.924 -4.208 -12.424 1.00 0.00 C ATOM 788 CE2 PHE A 53 43.415 -1.953 -13.046 1.00 0.00 C ATOM 789 CZ PHE A 53 43.020 -3.230 -13.394 1.00 0.00 C ATOM 0 H PHE A 53 45.352 -1.359 -7.328 1.00 0.00 H new ATOM 0 HA PHE A 53 45.261 -3.912 -8.829 1.00 0.00 H new ATOM 0 HB2 PHE A 53 43.138 -2.706 -8.682 1.00 0.00 H new ATOM 0 HB3 PHE A 53 43.904 -1.215 -9.193 1.00 0.00 H new ATOM 0 HD1 PHE A 53 43.134 -4.671 -10.352 1.00 0.00 H new ATOM 0 HD2 PHE A 53 44.011 -0.656 -11.463 1.00 0.00 H new ATOM 0 HE1 PHE A 53 42.620 -5.209 -12.693 1.00 0.00 H new ATOM 0 HE2 PHE A 53 43.495 -1.187 -13.803 1.00 0.00 H new ATOM 0 HZ PHE A 53 42.787 -3.463 -14.422 1.00 0.00 H new ATOM 799 N CYS A 54 46.943 -3.255 -10.530 1.00 0.00 N ATOM 800 CA CYS A 54 47.991 -2.893 -11.469 1.00 0.00 C ATOM 801 C CYS A 54 47.368 -2.268 -12.704 1.00 0.00 C ATOM 802 O CYS A 54 47.012 -2.969 -13.661 1.00 0.00 O ATOM 803 CB CYS A 54 48.834 -4.118 -11.850 1.00 0.00 C ATOM 804 SG CYS A 54 50.208 -3.771 -12.987 1.00 0.00 S ATOM 0 H CYS A 54 46.675 -4.239 -10.548 1.00 0.00 H new ATOM 0 HA CYS A 54 48.655 -2.169 -10.996 1.00 0.00 H new ATOM 0 HB2 CYS A 54 49.237 -4.562 -10.940 1.00 0.00 H new ATOM 0 HB3 CYS A 54 48.182 -4.863 -12.306 1.00 0.00 H new ATOM 0 HG CYS A 54 51.331 -4.106 -12.425 1.00 0.00 H new ATOM 809 N GLN A 55 47.197 -0.952 -12.662 1.00 0.00 N ATOM 810 CA GLN A 55 46.614 -0.235 -13.776 1.00 0.00 C ATOM 811 C GLN A 55 47.646 -0.112 -14.874 1.00 0.00 C ATOM 812 O GLN A 55 48.547 0.726 -14.819 1.00 0.00 O ATOM 813 CB GLN A 55 46.099 1.138 -13.351 1.00 0.00 C ATOM 814 CG GLN A 55 44.823 1.544 -14.078 1.00 0.00 C ATOM 815 CD GLN A 55 45.020 1.792 -15.561 1.00 0.00 C ATOM 816 OE1 GLN A 55 46.080 2.246 -15.995 1.00 0.00 O ATOM 817 NE2 GLN A 55 44.002 1.484 -16.348 1.00 0.00 N ATOM 0 H GLN A 55 47.455 -0.366 -11.868 1.00 0.00 H new ATOM 0 HA GLN A 55 45.754 -0.793 -14.146 1.00 0.00 H new ATOM 0 HB2 GLN A 55 45.914 1.134 -12.277 1.00 0.00 H new ATOM 0 HB3 GLN A 55 46.871 1.884 -13.539 1.00 0.00 H new ATOM 0 HG2 GLN A 55 44.075 0.762 -13.945 1.00 0.00 H new ATOM 0 HG3 GLN A 55 44.424 2.448 -13.617 1.00 0.00 H new ATOM 0 HE21 GLN A 55 43.142 1.110 -15.947 1.00 0.00 H new ATOM 0 HE22 GLN A 55 44.077 1.620 -17.356 1.00 0.00 H new ATOM 826 N HIS A 56 47.482 -0.969 -15.860 1.00 0.00 N ATOM 827 CA HIS A 56 48.458 -1.174 -16.922 1.00 0.00 C ATOM 828 C HIS A 56 48.112 -2.477 -17.629 1.00 0.00 C ATOM 829 O HIS A 56 48.427 -2.674 -18.801 1.00 0.00 O ATOM 830 CB HIS A 56 49.885 -1.266 -16.359 1.00 0.00 C ATOM 831 CG HIS A 56 50.963 -0.965 -17.361 1.00 0.00 C ATOM 832 ND1 HIS A 56 50.863 -1.280 -18.698 1.00 0.00 N ATOM 833 CD2 HIS A 56 52.168 -0.364 -17.209 1.00 0.00 C ATOM 834 CE1 HIS A 56 51.957 -0.892 -19.322 1.00 0.00 C ATOM 835 NE2 HIS A 56 52.766 -0.332 -18.444 1.00 0.00 N ATOM 0 H HIS A 56 46.653 -1.556 -15.952 1.00 0.00 H new ATOM 0 HA HIS A 56 48.424 -0.329 -17.610 1.00 0.00 H new ATOM 0 HB2 HIS A 56 49.979 -0.574 -15.522 1.00 0.00 H new ATOM 0 HB3 HIS A 56 50.043 -2.269 -15.962 1.00 0.00 H new ATOM 0 HD1 HIS A 56 50.066 -1.742 -19.137 1.00 0.00 H new ATOM 0 HD2 HIS A 56 52.581 0.019 -16.287 1.00 0.00 H new ATOM 0 HE1 HIS A 56 52.157 -1.013 -20.376 1.00 0.00 H new ATOM 844 N GLY A 57 47.485 -3.381 -16.877 1.00 0.00 N ATOM 845 CA GLY A 57 47.014 -4.630 -17.448 1.00 0.00 C ATOM 846 C GLY A 57 47.619 -5.854 -16.785 1.00 0.00 C ATOM 847 O GLY A 57 48.166 -6.718 -17.463 1.00 0.00 O ATOM 0 H GLY A 57 47.295 -3.269 -15.881 1.00 0.00 H new ATOM 0 HA2 GLY A 57 45.929 -4.676 -17.360 1.00 0.00 H new ATOM 0 HA3 GLY A 57 47.249 -4.647 -18.512 1.00 0.00 H new ATOM 851 N HIS A 58 47.542 -5.928 -15.457 1.00 0.00 N ATOM 852 CA HIS A 58 48.016 -7.114 -14.731 1.00 0.00 C ATOM 853 C HIS A 58 46.986 -7.591 -13.709 1.00 0.00 C ATOM 854 O HIS A 58 47.144 -8.654 -13.109 1.00 0.00 O ATOM 855 CB HIS A 58 49.343 -6.844 -14.011 1.00 0.00 C ATOM 856 CG HIS A 58 50.537 -6.755 -14.915 1.00 0.00 C ATOM 857 ND1 HIS A 58 51.641 -5.956 -14.636 1.00 0.00 N ATOM 858 CD2 HIS A 58 50.803 -7.371 -16.093 1.00 0.00 C ATOM 859 CE1 HIS A 58 52.522 -6.096 -15.626 1.00 0.00 C ATOM 860 NE2 HIS A 58 52.038 -6.941 -16.511 1.00 0.00 N ATOM 0 H HIS A 58 47.161 -5.191 -14.864 1.00 0.00 H new ATOM 0 HA HIS A 58 48.169 -7.892 -15.479 1.00 0.00 H new ATOM 0 HB2 HIS A 58 49.256 -5.912 -13.453 1.00 0.00 H new ATOM 0 HB3 HIS A 58 49.514 -7.636 -13.282 1.00 0.00 H new ATOM 0 HD1 HIS A 58 51.757 -5.364 -13.814 1.00 0.00 H new ATOM 0 HD2 HIS A 58 50.162 -8.071 -16.608 1.00 0.00 H new ATOM 0 HE1 HIS A 58 53.478 -5.597 -15.691 1.00 0.00 H new ATOM 868 N GLY A 59 45.943 -6.798 -13.497 1.00 0.00 N ATOM 869 CA GLY A 59 44.946 -7.149 -12.507 1.00 0.00 C ATOM 870 C GLY A 59 45.373 -6.709 -11.127 1.00 0.00 C ATOM 871 O GLY A 59 46.259 -5.866 -10.998 1.00 0.00 O ATOM 0 H GLY A 59 45.771 -5.922 -13.991 1.00 0.00 H new ATOM 0 HA2 GLY A 59 43.995 -6.682 -12.763 1.00 0.00 H new ATOM 0 HA3 GLY A 59 44.785 -8.227 -12.515 1.00 0.00 H new ATOM 875 N LEU A 60 44.762 -7.269 -10.098 1.00 0.00 N ATOM 876 CA LEU A 60 45.106 -6.906 -8.731 1.00 0.00 C ATOM 877 C LEU A 60 46.360 -7.647 -8.285 1.00 0.00 C ATOM 878 O LEU A 60 46.645 -8.748 -8.763 1.00 0.00 O ATOM 879 CB LEU A 60 43.948 -7.194 -7.765 1.00 0.00 C ATOM 880 CG LEU A 60 42.742 -6.255 -7.878 1.00 0.00 C ATOM 881 CD1 LEU A 60 41.917 -6.566 -9.118 1.00 0.00 C ATOM 882 CD2 LEU A 60 41.884 -6.344 -6.627 1.00 0.00 C ATOM 0 H LEU A 60 44.029 -7.973 -10.180 1.00 0.00 H new ATOM 0 HA LEU A 60 45.300 -5.834 -8.711 1.00 0.00 H new ATOM 0 HB2 LEU A 60 43.607 -8.216 -7.930 1.00 0.00 H new ATOM 0 HB3 LEU A 60 44.329 -7.146 -6.745 1.00 0.00 H new ATOM 0 HG LEU A 60 43.115 -5.235 -7.974 1.00 0.00 H new ATOM 0 HD11 LEU A 60 41.069 -5.884 -9.171 1.00 0.00 H new ATOM 0 HD12 LEU A 60 42.536 -6.445 -10.007 1.00 0.00 H new ATOM 0 HD13 LEU A 60 41.554 -7.593 -9.066 1.00 0.00 H new ATOM 0 HD21 LEU A 60 41.031 -5.672 -6.722 1.00 0.00 H new ATOM 0 HD22 LEU A 60 41.528 -7.366 -6.502 1.00 0.00 H new ATOM 0 HD23 LEU A 60 42.477 -6.058 -5.758 1.00 0.00 H new ATOM 894 N ILE A 61 47.110 -7.029 -7.386 1.00 0.00 N ATOM 895 CA ILE A 61 48.351 -7.601 -6.886 1.00 0.00 C ATOM 896 C ILE A 61 48.258 -7.789 -5.378 1.00 0.00 C ATOM 897 O ILE A 61 47.627 -6.988 -4.688 1.00 0.00 O ATOM 898 CB ILE A 61 49.561 -6.689 -7.218 1.00 0.00 C ATOM 899 CG1 ILE A 61 49.655 -6.439 -8.729 1.00 0.00 C ATOM 900 CG2 ILE A 61 50.861 -7.291 -6.699 1.00 0.00 C ATOM 901 CD1 ILE A 61 49.900 -7.691 -9.546 1.00 0.00 C ATOM 0 H ILE A 61 46.877 -6.121 -6.984 1.00 0.00 H new ATOM 0 HA ILE A 61 48.501 -8.565 -7.372 1.00 0.00 H new ATOM 0 HB ILE A 61 49.404 -5.734 -6.717 1.00 0.00 H new ATOM 0 HG12 ILE A 61 48.731 -5.971 -9.068 1.00 0.00 H new ATOM 0 HG13 ILE A 61 50.460 -5.729 -8.920 1.00 0.00 H new ATOM 0 HG21 ILE A 61 51.692 -6.630 -6.946 1.00 0.00 H new ATOM 0 HG22 ILE A 61 50.801 -7.409 -5.617 1.00 0.00 H new ATOM 0 HG23 ILE A 61 51.021 -8.265 -7.162 1.00 0.00 H new ATOM 0 HD11 ILE A 61 49.954 -7.431 -10.603 1.00 0.00 H new ATOM 0 HD12 ILE A 61 50.839 -8.149 -9.237 1.00 0.00 H new ATOM 0 HD13 ILE A 61 49.083 -8.395 -9.387 1.00 0.00 H new ATOM 913 N SER A 62 48.853 -8.858 -4.868 1.00 0.00 N ATOM 914 CA SER A 62 48.888 -9.087 -3.433 1.00 0.00 C ATOM 915 C SER A 62 49.721 -8.000 -2.759 1.00 0.00 C ATOM 916 O SER A 62 50.899 -7.821 -3.070 1.00 0.00 O ATOM 917 CB SER A 62 49.455 -10.476 -3.134 1.00 0.00 C ATOM 918 OG SER A 62 48.713 -11.480 -3.815 1.00 0.00 O ATOM 0 H SER A 62 49.316 -9.577 -5.425 1.00 0.00 H new ATOM 0 HA SER A 62 47.874 -9.044 -3.035 1.00 0.00 H new ATOM 0 HB2 SER A 62 50.501 -10.520 -3.438 1.00 0.00 H new ATOM 0 HB3 SER A 62 49.427 -10.662 -2.060 1.00 0.00 H new ATOM 0 HG SER A 62 49.092 -12.361 -3.612 1.00 0.00 H new ATOM 924 N LYS A 63 49.102 -7.274 -1.841 1.00 0.00 N ATOM 925 CA LYS A 63 49.722 -6.097 -1.235 1.00 0.00 C ATOM 926 C LYS A 63 50.832 -6.460 -0.249 1.00 0.00 C ATOM 927 O LYS A 63 51.520 -5.581 0.262 1.00 0.00 O ATOM 928 CB LYS A 63 48.660 -5.221 -0.568 1.00 0.00 C ATOM 929 CG LYS A 63 47.624 -5.999 0.227 1.00 0.00 C ATOM 930 CD LYS A 63 46.432 -5.128 0.589 1.00 0.00 C ATOM 931 CE LYS A 63 45.284 -5.960 1.142 1.00 0.00 C ATOM 932 NZ LYS A 63 44.780 -6.949 0.149 1.00 0.00 N ATOM 0 H LYS A 63 48.164 -7.478 -1.495 1.00 0.00 H new ATOM 0 HA LYS A 63 50.194 -5.531 -2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 63 49.154 -4.512 0.096 1.00 0.00 H new ATOM 0 HB3 LYS A 63 48.151 -4.638 -1.335 1.00 0.00 H new ATOM 0 HG2 LYS A 63 47.286 -6.857 -0.355 1.00 0.00 H new ATOM 0 HG3 LYS A 63 48.080 -6.390 1.136 1.00 0.00 H new ATOM 0 HD2 LYS A 63 46.733 -4.385 1.327 1.00 0.00 H new ATOM 0 HD3 LYS A 63 46.096 -4.583 -0.293 1.00 0.00 H new ATOM 0 HE2 LYS A 63 45.615 -6.484 2.039 1.00 0.00 H new ATOM 0 HE3 LYS A 63 44.470 -5.300 1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 43.889 -7.362 0.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 44.614 -6.474 -0.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 45.485 -7.703 0.022 1.00 0.00 H new ATOM 946 N LYS A 64 51.009 -7.746 0.018 1.00 0.00 N ATOM 947 CA LYS A 64 52.157 -8.200 0.797 1.00 0.00 C ATOM 948 C LYS A 64 53.234 -8.756 -0.127 1.00 0.00 C ATOM 949 O LYS A 64 54.243 -9.297 0.324 1.00 0.00 O ATOM 950 CB LYS A 64 51.749 -9.258 1.822 1.00 0.00 C ATOM 951 CG LYS A 64 50.953 -8.705 2.992 1.00 0.00 C ATOM 952 CD LYS A 64 50.766 -9.754 4.079 1.00 0.00 C ATOM 953 CE LYS A 64 52.101 -10.304 4.560 1.00 0.00 C ATOM 954 NZ LYS A 64 51.941 -11.300 5.652 1.00 0.00 N ATOM 0 H LYS A 64 50.381 -8.489 -0.289 1.00 0.00 H new ATOM 0 HA LYS A 64 52.556 -7.341 1.337 1.00 0.00 H new ATOM 0 HB2 LYS A 64 51.157 -10.025 1.322 1.00 0.00 H new ATOM 0 HB3 LYS A 64 52.646 -9.746 2.203 1.00 0.00 H new ATOM 0 HG2 LYS A 64 51.466 -7.837 3.406 1.00 0.00 H new ATOM 0 HG3 LYS A 64 49.979 -8.363 2.643 1.00 0.00 H new ATOM 0 HD2 LYS A 64 50.228 -9.316 4.920 1.00 0.00 H new ATOM 0 HD3 LYS A 64 50.152 -10.569 3.697 1.00 0.00 H new ATOM 0 HE2 LYS A 64 52.623 -10.767 3.723 1.00 0.00 H new ATOM 0 HE3 LYS A 64 52.725 -9.482 4.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 52.877 -11.646 5.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 51.466 -10.853 6.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 51.368 -12.099 5.312 1.00 0.00 H new ATOM 968 N ARG A 65 53.013 -8.609 -1.422 1.00 0.00 N ATOM 969 CA ARG A 65 53.928 -9.132 -2.424 1.00 0.00 C ATOM 970 C ARG A 65 54.376 -8.000 -3.343 1.00 0.00 C ATOM 971 O ARG A 65 54.948 -8.223 -4.409 1.00 0.00 O ATOM 972 CB ARG A 65 53.224 -10.238 -3.217 1.00 0.00 C ATOM 973 CG ARG A 65 54.161 -11.250 -3.851 1.00 0.00 C ATOM 974 CD ARG A 65 53.378 -12.418 -4.427 1.00 0.00 C ATOM 975 NE ARG A 65 54.248 -13.509 -4.854 1.00 0.00 N ATOM 976 CZ ARG A 65 54.079 -14.780 -4.498 1.00 0.00 C ATOM 977 NH1 ARG A 65 53.066 -15.123 -3.707 1.00 0.00 N ATOM 978 NH2 ARG A 65 54.923 -15.703 -4.932 1.00 0.00 N ATOM 0 H ARG A 65 52.201 -8.127 -1.807 1.00 0.00 H new ATOM 0 HA ARG A 65 54.811 -9.554 -1.945 1.00 0.00 H new ATOM 0 HB2 ARG A 65 52.537 -10.763 -2.553 1.00 0.00 H new ATOM 0 HB3 ARG A 65 52.621 -9.779 -4.000 1.00 0.00 H new ATOM 0 HG2 ARG A 65 54.742 -10.771 -4.639 1.00 0.00 H new ATOM 0 HG3 ARG A 65 54.870 -11.613 -3.107 1.00 0.00 H new ATOM 0 HD2 ARG A 65 52.676 -12.787 -3.679 1.00 0.00 H new ATOM 0 HD3 ARG A 65 52.787 -12.074 -5.276 1.00 0.00 H new ATOM 0 HE ARG A 65 55.034 -13.283 -5.463 1.00 0.00 H new ATOM 0 HH11 ARG A 65 52.417 -14.411 -3.372 1.00 0.00 H new ATOM 0 HH12 ARG A 65 52.938 -16.098 -3.435 1.00 0.00 H new ATOM 0 HH21 ARG A 65 55.700 -15.439 -5.538 1.00 0.00 H new ATOM 0 HH22 ARG A 65 54.796 -16.678 -4.661 1.00 0.00 H new ATOM 992 N VAL A 66 54.118 -6.778 -2.899 1.00 0.00 N ATOM 993 CA VAL A 66 54.414 -5.583 -3.676 1.00 0.00 C ATOM 994 C VAL A 66 55.742 -4.967 -3.221 1.00 0.00 C ATOM 995 O VAL A 66 56.175 -5.180 -2.086 1.00 0.00 O ATOM 996 CB VAL A 66 53.267 -4.551 -3.533 1.00 0.00 C ATOM 997 CG1 VAL A 66 53.131 -4.101 -2.098 1.00 0.00 C ATOM 998 CG2 VAL A 66 53.465 -3.359 -4.453 1.00 0.00 C ATOM 0 H VAL A 66 53.697 -6.587 -1.990 1.00 0.00 H new ATOM 0 HA VAL A 66 54.502 -5.864 -4.726 1.00 0.00 H new ATOM 0 HB VAL A 66 52.342 -5.045 -3.832 1.00 0.00 H new ATOM 0 HG11 VAL A 66 52.320 -3.377 -2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 66 52.912 -4.962 -1.466 1.00 0.00 H new ATOM 0 HG13 VAL A 66 54.063 -3.639 -1.772 1.00 0.00 H new ATOM 0 HG21 VAL A 66 52.640 -2.658 -4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 66 54.404 -2.863 -4.209 1.00 0.00 H new ATOM 0 HG23 VAL A 66 53.493 -3.699 -5.488 1.00 0.00 H new ATOM 1008 N GLU A 67 56.395 -4.223 -4.108 1.00 0.00 N ATOM 1009 CA GLU A 67 57.656 -3.574 -3.781 1.00 0.00 C ATOM 1010 C GLU A 67 57.403 -2.148 -3.300 1.00 0.00 C ATOM 1011 O GLU A 67 56.886 -1.315 -4.043 1.00 0.00 O ATOM 1012 CB GLU A 67 58.583 -3.570 -5.001 1.00 0.00 C ATOM 1013 CG GLU A 67 59.957 -2.985 -4.719 1.00 0.00 C ATOM 1014 CD GLU A 67 60.902 -3.110 -5.896 1.00 0.00 C ATOM 1015 OE1 GLU A 67 61.438 -4.217 -6.115 1.00 0.00 O ATOM 1016 OE2 GLU A 67 61.124 -2.100 -6.599 1.00 0.00 O ATOM 0 H GLU A 67 56.070 -4.055 -5.060 1.00 0.00 H new ATOM 0 HA GLU A 67 58.141 -4.132 -2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 67 58.699 -4.592 -5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 67 58.112 -3.001 -5.803 1.00 0.00 H new ATOM 0 HG2 GLU A 67 59.851 -1.933 -4.454 1.00 0.00 H new ATOM 0 HG3 GLU A 67 60.391 -3.489 -3.856 1.00 0.00 H new ATOM 1023 N PHE A 68 57.752 -1.876 -2.050 1.00 0.00 N ATOM 1024 CA PHE A 68 57.559 -0.552 -1.480 1.00 0.00 C ATOM 1025 C PHE A 68 58.840 0.265 -1.552 1.00 0.00 C ATOM 1026 O PHE A 68 59.914 -0.203 -1.170 1.00 0.00 O ATOM 1027 CB PHE A 68 57.090 -0.643 -0.025 1.00 0.00 C ATOM 1028 CG PHE A 68 55.698 -1.178 0.139 1.00 0.00 C ATOM 1029 CD1 PHE A 68 54.607 -0.435 -0.281 1.00 0.00 C ATOM 1030 CD2 PHE A 68 55.482 -2.424 0.705 1.00 0.00 C ATOM 1031 CE1 PHE A 68 53.322 -0.922 -0.135 1.00 0.00 C ATOM 1032 CE2 PHE A 68 54.200 -2.916 0.855 1.00 0.00 C ATOM 1033 CZ PHE A 68 53.117 -2.164 0.432 1.00 0.00 C ATOM 0 H PHE A 68 58.170 -2.554 -1.413 1.00 0.00 H new ATOM 0 HA PHE A 68 56.789 -0.054 -2.068 1.00 0.00 H new ATOM 0 HB2 PHE A 68 57.780 -1.280 0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 68 57.142 0.349 0.425 1.00 0.00 H new ATOM 0 HD1 PHE A 68 54.762 0.536 -0.728 1.00 0.00 H new ATOM 0 HD2 PHE A 68 56.324 -3.016 1.032 1.00 0.00 H new ATOM 0 HE1 PHE A 68 52.479 -0.332 -0.464 1.00 0.00 H new ATOM 0 HE2 PHE A 68 54.042 -3.887 1.302 1.00 0.00 H new ATOM 0 HZ PHE A 68 52.114 -2.548 0.545 1.00 0.00 H new ATOM 1043 N VAL A 69 58.719 1.482 -2.055 1.00 0.00 N ATOM 1044 CA VAL A 69 59.833 2.417 -2.089 1.00 0.00 C ATOM 1045 C VAL A 69 59.465 3.678 -1.316 1.00 0.00 C ATOM 1046 O VAL A 69 58.357 3.777 -0.792 1.00 0.00 O ATOM 1047 CB VAL A 69 60.229 2.785 -3.535 1.00 0.00 C ATOM 1048 CG1 VAL A 69 60.686 1.549 -4.293 1.00 0.00 C ATOM 1049 CG2 VAL A 69 59.077 3.465 -4.260 1.00 0.00 C ATOM 0 H VAL A 69 57.853 1.849 -2.449 1.00 0.00 H new ATOM 0 HA VAL A 69 60.692 1.933 -1.624 1.00 0.00 H new ATOM 0 HB VAL A 69 61.060 3.489 -3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 69 60.961 1.827 -5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 69 61.549 1.112 -3.790 1.00 0.00 H new ATOM 0 HG13 VAL A 69 59.876 0.820 -4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 69 59.383 3.714 -5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 69 58.220 2.792 -4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 69 58.802 4.377 -3.731 1.00 0.00 H new ATOM 1059 N LEU A 70 60.376 4.634 -1.241 1.00 0.00 N ATOM 1060 CA LEU A 70 60.118 5.867 -0.506 1.00 0.00 C ATOM 1061 C LEU A 70 59.242 6.810 -1.321 1.00 0.00 C ATOM 1062 O LEU A 70 59.348 6.865 -2.550 1.00 0.00 O ATOM 1063 CB LEU A 70 61.433 6.559 -0.141 1.00 0.00 C ATOM 1064 CG LEU A 70 62.365 5.751 0.767 1.00 0.00 C ATOM 1065 CD1 LEU A 70 63.652 6.518 1.027 1.00 0.00 C ATOM 1066 CD2 LEU A 70 61.671 5.415 2.080 1.00 0.00 C ATOM 0 H LEU A 70 61.297 4.584 -1.677 1.00 0.00 H new ATOM 0 HA LEU A 70 59.589 5.608 0.411 1.00 0.00 H new ATOM 0 HB2 LEU A 70 61.966 6.799 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 70 61.203 7.505 0.350 1.00 0.00 H new ATOM 0 HG LEU A 70 62.615 4.819 0.261 1.00 0.00 H new ATOM 0 HD11 LEU A 70 64.302 5.929 1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 70 64.159 6.710 0.081 1.00 0.00 H new ATOM 0 HD13 LEU A 70 63.419 7.466 1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 70 62.348 4.841 2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 70 61.392 6.337 2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 70 60.776 4.826 1.878 1.00 0.00 H new ATOM 1078 N ALA A 71 58.360 7.528 -0.639 1.00 0.00 N ATOM 1079 CA ALA A 71 57.516 8.518 -1.287 1.00 0.00 C ATOM 1080 C ALA A 71 57.987 9.919 -0.927 1.00 0.00 C ATOM 1081 O ALA A 71 57.776 10.346 0.229 1.00 0.00 O ATOM 1082 CB ALA A 71 56.055 8.326 -0.904 1.00 0.00 C ATOM 1083 OXT ALA A 71 58.590 10.579 -1.795 1.00 0.00 O ATOM 0 H ALA A 71 58.211 7.441 0.366 1.00 0.00 H new ATOM 0 HA ALA A 71 57.596 8.387 -2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 71 55.446 9.080 -1.403 1.00 0.00 H new ATOM 0 HB2 ALA A 71 55.726 7.333 -1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 71 55.946 8.427 0.176 1.00 0.00 H new