USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 697 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 Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.961 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 90:sc= -0.0804 USER MOD Single : A 13 ASN : amide:sc= -1.06! C(o=-1.1!,f=-7.3!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.314 K(o=-0.31,f=-1.1) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -179:sc= -0.429 (180deg=-0.433) USER MOD Single : A 36 HIS : no HD1:sc= -0.0447 K(o=-0.045,f=-0.71) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -160:sc= -1.01 (180deg=-1.74) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.171 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0496 USER MOD Single : A 56 SER OG : rot 42:sc= 0.483 USER MOD Single : A 61 GLN : amide:sc= -0.0085 K(o=-0.0085,f=-1.1!) USER MOD Single : A 65 ASN : amide:sc= -1.39 K(o=-1.4,f=-2.3!) USER MOD Single : A 70 THR OG1 : rot -150:sc= 0.378 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.388 X(o=0.39,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.448 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot -171:sc= -2.21! USER MOD ----------------------------------------------------------------- ATOM 33 N LYS A 3 6.121 14.822 27.895 1.00 0.00 N ATOM 34 CA LYS A 3 6.982 14.761 29.071 1.00 0.00 C ATOM 35 C LYS A 3 7.850 16.009 29.158 1.00 0.00 C ATOM 36 O LYS A 3 8.893 16.099 28.511 1.00 0.00 O ATOM 37 CB LYS A 3 7.863 13.517 29.007 1.00 0.00 C ATOM 38 CG LYS A 3 7.022 12.244 28.993 1.00 0.00 C ATOM 39 CD LYS A 3 6.424 11.960 30.368 1.00 0.00 C ATOM 40 CE LYS A 3 5.830 10.556 30.432 1.00 0.00 C ATOM 41 NZ LYS A 3 5.357 10.231 31.807 1.00 0.00 N ATOM 0 HA LYS A 3 6.355 14.709 29.961 1.00 0.00 H new ATOM 0 HB2 LYS A 3 8.485 13.555 28.113 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.537 13.501 29.864 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.222 12.342 28.259 1.00 0.00 H new ATOM 0 HG3 LYS A 3 7.639 11.401 28.681 1.00 0.00 H new ATOM 0 HD2 LYS A 3 7.194 12.067 31.132 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.651 12.695 30.590 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.999 10.478 29.731 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.579 9.827 30.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.958 9.270 31.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 6.156 10.283 32.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.626 10.913 32.093 1.00 0.00 H new ATOM 55 N VAL A 4 7.412 16.972 29.962 1.00 0.00 N ATOM 56 CA VAL A 4 8.148 18.220 30.135 1.00 0.00 C ATOM 57 C VAL A 4 9.481 17.958 30.825 1.00 0.00 C ATOM 58 O VAL A 4 9.820 16.814 31.128 1.00 0.00 O ATOM 59 CB VAL A 4 7.321 19.203 30.958 1.00 0.00 C ATOM 60 CG1 VAL A 4 6.011 19.527 30.246 1.00 0.00 C ATOM 61 CG2 VAL A 4 7.048 18.640 32.350 1.00 0.00 C ATOM 0 H VAL A 4 6.550 16.912 30.505 1.00 0.00 H new ATOM 0 HA VAL A 4 8.341 18.651 29.152 1.00 0.00 H new ATOM 0 HB VAL A 4 7.892 20.125 31.066 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.434 20.229 30.847 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.225 19.972 29.274 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.436 18.611 30.107 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.457 19.355 32.922 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.498 17.703 32.262 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.994 18.459 32.861 1.00 0.00 H new ATOM 71 N THR A 5 10.232 19.026 31.070 1.00 0.00 N ATOM 72 CA THR A 5 11.531 18.917 31.725 1.00 0.00 C ATOM 73 C THR A 5 11.959 20.270 32.278 1.00 0.00 C ATOM 74 O THR A 5 11.784 21.300 31.628 1.00 0.00 O ATOM 75 CB THR A 5 12.573 18.406 30.733 1.00 0.00 C ATOM 76 OG1 THR A 5 12.369 19.006 29.464 1.00 0.00 O ATOM 77 CG2 THR A 5 12.502 16.887 30.610 1.00 0.00 C ATOM 0 H THR A 5 9.963 19.979 30.825 1.00 0.00 H new ATOM 0 HA THR A 5 11.449 18.211 32.551 1.00 0.00 H new ATOM 0 HB THR A 5 13.563 18.676 31.102 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.042 18.675 28.833 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.253 16.544 29.898 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.691 16.434 31.583 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.511 16.596 30.261 1.00 0.00 H new ATOM 85 N PHE A 6 12.517 20.261 33.484 1.00 0.00 N ATOM 86 CA PHE A 6 12.967 21.490 34.131 1.00 0.00 C ATOM 87 C PHE A 6 14.481 21.627 34.020 1.00 0.00 C ATOM 88 O PHE A 6 15.164 20.713 33.558 1.00 0.00 O ATOM 89 CB PHE A 6 12.549 21.488 35.598 1.00 0.00 C ATOM 90 CG PHE A 6 11.055 21.586 35.781 1.00 0.00 C ATOM 91 CD1 PHE A 6 10.242 20.522 35.425 1.00 0.00 C ATOM 92 CD2 PHE A 6 10.495 22.741 36.302 1.00 0.00 C ATOM 93 CE1 PHE A 6 8.870 20.614 35.590 1.00 0.00 C ATOM 94 CE2 PHE A 6 9.122 22.831 36.467 1.00 0.00 C ATOM 95 CZ PHE A 6 8.310 21.768 36.111 1.00 0.00 C ATOM 0 H PHE A 6 12.669 19.416 34.034 1.00 0.00 H new ATOM 0 HA PHE A 6 12.504 22.339 33.629 1.00 0.00 H new ATOM 0 HB2 PHE A 6 12.909 20.575 36.072 1.00 0.00 H new ATOM 0 HB3 PHE A 6 13.028 22.323 36.109 1.00 0.00 H new ATOM 0 HD1 PHE A 6 10.678 19.621 35.019 1.00 0.00 H new ATOM 0 HD2 PHE A 6 11.128 23.571 36.579 1.00 0.00 H new ATOM 0 HE1 PHE A 6 8.236 19.785 35.312 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.685 23.731 36.874 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.240 21.839 36.240 1.00 0.00 H new ATOM 105 N THR A 7 15.000 22.775 34.446 1.00 0.00 N ATOM 106 CA THR A 7 16.435 23.034 34.395 1.00 0.00 C ATOM 107 C THR A 7 16.783 24.248 35.246 1.00 0.00 C ATOM 108 O THR A 7 16.561 25.389 34.838 1.00 0.00 O ATOM 109 CB THR A 7 16.871 23.271 32.952 1.00 0.00 C ATOM 110 OG1 THR A 7 15.852 22.846 32.061 1.00 0.00 O ATOM 111 CG2 THR A 7 18.172 22.534 32.649 1.00 0.00 C ATOM 0 H THR A 7 14.447 23.541 34.831 1.00 0.00 H new ATOM 0 HA THR A 7 16.961 22.165 34.790 1.00 0.00 H new ATOM 0 HB THR A 7 17.043 24.339 32.817 1.00 0.00 H new ATOM 0 HG1 THR A 7 16.139 23.003 31.137 1.00 0.00 H new ATOM 0 HG21 THR A 7 18.462 22.718 31.615 1.00 0.00 H new ATOM 0 HG22 THR A 7 18.957 22.892 33.315 1.00 0.00 H new ATOM 0 HG23 THR A 7 18.028 21.464 32.800 1.00 0.00 H new ATOM 119 N VAL A 8 17.331 23.998 36.429 1.00 0.00 N ATOM 120 CA VAL A 8 17.713 25.071 37.342 1.00 0.00 C ATOM 121 C VAL A 8 18.584 26.093 36.623 1.00 0.00 C ATOM 122 O VAL A 8 19.796 25.913 36.497 1.00 0.00 O ATOM 123 CB VAL A 8 18.461 24.491 38.538 1.00 0.00 C ATOM 124 CG1 VAL A 8 18.766 25.580 39.562 1.00 0.00 C ATOM 125 CG2 VAL A 8 17.650 23.367 39.176 1.00 0.00 C ATOM 0 H VAL A 8 17.522 23.060 36.780 1.00 0.00 H new ATOM 0 HA VAL A 8 16.811 25.572 37.695 1.00 0.00 H new ATOM 0 HB VAL A 8 19.407 24.080 38.187 1.00 0.00 H new ATOM 0 HG11 VAL A 8 19.300 25.145 40.407 1.00 0.00 H new ATOM 0 HG12 VAL A 8 19.383 26.351 39.100 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.833 26.023 39.911 1.00 0.00 H new ATOM 0 HG21 VAL A 8 18.196 22.963 40.028 1.00 0.00 H new ATOM 0 HG22 VAL A 8 16.690 23.757 39.513 1.00 0.00 H new ATOM 0 HG23 VAL A 8 17.484 22.577 38.444 1.00 0.00 H new ATOM 135 N GLU A 9 17.957 27.164 36.149 1.00 0.00 N ATOM 136 CA GLU A 9 18.667 28.220 35.434 1.00 0.00 C ATOM 137 C GLU A 9 19.704 28.876 36.336 1.00 0.00 C ATOM 138 O GLU A 9 19.821 28.538 37.515 1.00 0.00 O ATOM 139 CB GLU A 9 17.675 29.267 34.938 1.00 0.00 C ATOM 140 CG GLU A 9 16.957 28.792 33.678 1.00 0.00 C ATOM 141 CD GLU A 9 17.390 29.625 32.479 1.00 0.00 C ATOM 142 OE1 GLU A 9 18.592 29.601 32.140 1.00 0.00 O ATOM 143 OE2 GLU A 9 16.526 30.301 31.881 1.00 0.00 O ATOM 0 H GLU A 9 16.955 27.325 36.247 1.00 0.00 H new ATOM 0 HA GLU A 9 19.181 27.776 34.581 1.00 0.00 H new ATOM 0 HB2 GLU A 9 16.944 29.478 35.719 1.00 0.00 H new ATOM 0 HB3 GLU A 9 18.199 30.200 34.731 1.00 0.00 H new ATOM 0 HG2 GLU A 9 17.180 27.740 33.499 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.878 28.871 33.814 1.00 0.00 H new ATOM 150 N LYS A 10 20.457 29.816 35.773 1.00 0.00 N ATOM 151 CA LYS A 10 21.491 30.526 36.521 1.00 0.00 C ATOM 152 C LYS A 10 20.872 31.640 37.357 1.00 0.00 C ATOM 153 O LYS A 10 21.196 32.814 37.180 1.00 0.00 O ATOM 154 CB LYS A 10 22.522 31.110 35.560 1.00 0.00 C ATOM 155 CG LYS A 10 23.793 31.524 36.298 1.00 0.00 C ATOM 156 CD LYS A 10 24.623 32.497 35.466 1.00 0.00 C ATOM 157 CE LYS A 10 25.107 33.674 36.309 1.00 0.00 C ATOM 158 NZ LYS A 10 24.962 34.962 35.575 1.00 0.00 N ATOM 0 H LYS A 10 20.371 30.105 34.799 1.00 0.00 H new ATOM 0 HA LYS A 10 21.984 29.820 37.189 1.00 0.00 H new ATOM 0 HB2 LYS A 10 22.767 30.374 34.794 1.00 0.00 H new ATOM 0 HB3 LYS A 10 22.098 31.974 35.048 1.00 0.00 H new ATOM 0 HG2 LYS A 10 23.530 31.987 37.249 1.00 0.00 H new ATOM 0 HG3 LYS A 10 24.387 30.640 36.528 1.00 0.00 H new ATOM 0 HD2 LYS A 10 25.480 31.975 35.040 1.00 0.00 H new ATOM 0 HD3 LYS A 10 24.027 32.866 34.631 1.00 0.00 H new ATOM 0 HE2 LYS A 10 24.539 33.717 37.238 1.00 0.00 H new ATOM 0 HE3 LYS A 10 26.152 33.524 36.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 25.299 35.743 36.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 25.524 34.929 34.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 23.961 35.115 35.337 1.00 0.00 H new ATOM 172 N GLY A 11 19.980 31.264 38.267 1.00 0.00 N ATOM 173 CA GLY A 11 19.314 32.232 39.133 1.00 0.00 C ATOM 174 C GLY A 11 19.041 31.637 40.510 1.00 0.00 C ATOM 175 O GLY A 11 18.174 32.117 41.241 1.00 0.00 O ATOM 0 H GLY A 11 19.701 30.296 38.425 1.00 0.00 H new ATOM 0 HA2 GLY A 11 19.935 33.122 39.234 1.00 0.00 H new ATOM 0 HA3 GLY A 11 18.376 32.548 38.677 1.00 0.00 H new ATOM 179 N SER A 12 19.784 30.592 40.863 1.00 0.00 N ATOM 180 CA SER A 12 19.620 29.936 42.154 1.00 0.00 C ATOM 181 C SER A 12 20.831 30.207 43.037 1.00 0.00 C ATOM 182 O SER A 12 21.941 29.772 42.732 1.00 0.00 O ATOM 183 CB SER A 12 19.446 28.435 41.952 1.00 0.00 C ATOM 184 OG SER A 12 18.151 28.146 41.450 1.00 0.00 O ATOM 0 H SER A 12 20.506 30.182 40.271 1.00 0.00 H new ATOM 0 HA SER A 12 18.732 30.335 42.645 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.202 28.066 41.259 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.600 27.915 42.898 1.00 0.00 H new ATOM 0 HG SER A 12 18.169 28.160 40.470 1.00 0.00 H new ATOM 190 N ASN A 13 20.613 30.930 44.131 1.00 0.00 N ATOM 191 CA ASN A 13 21.692 31.262 45.056 1.00 0.00 C ATOM 192 C ASN A 13 21.479 30.573 46.398 1.00 0.00 C ATOM 193 O ASN A 13 22.393 29.946 46.934 1.00 0.00 O ATOM 194 CB ASN A 13 21.769 32.774 45.254 1.00 0.00 C ATOM 195 CG ASN A 13 20.376 33.355 45.461 1.00 0.00 C ATOM 196 OD1 ASN A 13 19.742 33.124 46.490 1.00 0.00 O ATOM 197 ND2 ASN A 13 19.900 34.114 44.481 1.00 0.00 N ATOM 0 H ASN A 13 19.700 31.297 44.399 1.00 0.00 H new ATOM 0 HA ASN A 13 22.631 30.910 44.629 1.00 0.00 H new ATOM 0 HB2 ASN A 13 22.397 33.003 46.115 1.00 0.00 H new ATOM 0 HB3 ASN A 13 22.238 33.237 44.386 1.00 0.00 H new ATOM 0 HD21 ASN A 13 18.973 34.532 44.564 1.00 0.00 H new ATOM 0 HD22 ASN A 13 20.461 34.279 43.645 1.00 0.00 H new ATOM 204 N GLU A 14 20.272 30.695 46.941 1.00 0.00 N ATOM 205 CA GLU A 14 19.947 30.084 48.226 1.00 0.00 C ATOM 206 C GLU A 14 18.452 29.809 48.331 1.00 0.00 C ATOM 207 O GLU A 14 18.022 28.656 48.328 1.00 0.00 O ATOM 208 CB GLU A 14 20.383 31.005 49.363 1.00 0.00 C ATOM 209 CG GLU A 14 21.730 30.576 49.938 1.00 0.00 C ATOM 210 CD GLU A 14 21.576 29.289 50.737 1.00 0.00 C ATOM 211 OE1 GLU A 14 20.789 29.281 51.707 1.00 0.00 O ATOM 212 OE2 GLU A 14 22.243 28.291 50.392 1.00 0.00 O ATOM 0 H GLU A 14 19.503 31.211 46.512 1.00 0.00 H new ATOM 0 HA GLU A 14 20.480 29.136 48.301 1.00 0.00 H new ATOM 0 HB2 GLU A 14 20.451 32.030 48.998 1.00 0.00 H new ATOM 0 HB3 GLU A 14 19.629 30.996 50.151 1.00 0.00 H new ATOM 0 HG2 GLU A 14 22.447 30.428 49.131 1.00 0.00 H new ATOM 0 HG3 GLU A 14 22.128 31.364 50.577 1.00 0.00 H new ATOM 219 N LYS A 15 17.664 30.875 48.435 1.00 0.00 N ATOM 220 CA LYS A 15 16.212 30.748 48.554 1.00 0.00 C ATOM 221 C LYS A 15 15.560 30.782 47.179 1.00 0.00 C ATOM 222 O LYS A 15 14.493 30.202 46.973 1.00 0.00 O ATOM 223 CB LYS A 15 15.642 31.879 49.416 1.00 0.00 C ATOM 224 CG LYS A 15 16.618 32.323 50.505 1.00 0.00 C ATOM 225 CD LYS A 15 17.115 31.135 51.324 1.00 0.00 C ATOM 226 CE LYS A 15 15.999 30.552 52.185 1.00 0.00 C ATOM 227 NZ LYS A 15 16.466 29.355 52.939 1.00 0.00 N ATOM 0 H LYS A 15 18.005 31.836 48.439 1.00 0.00 H new ATOM 0 HA LYS A 15 15.995 29.792 49.030 1.00 0.00 H new ATOM 0 HB2 LYS A 15 15.398 32.730 48.780 1.00 0.00 H new ATOM 0 HB3 LYS A 15 14.711 31.548 49.877 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.467 32.833 50.049 1.00 0.00 H new ATOM 0 HG3 LYS A 15 16.129 33.042 51.163 1.00 0.00 H new ATOM 0 HD2 LYS A 15 17.502 30.366 50.656 1.00 0.00 H new ATOM 0 HD3 LYS A 15 17.942 31.449 51.960 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.643 31.309 52.884 1.00 0.00 H new ATOM 0 HE3 LYS A 15 15.154 30.279 51.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.685 28.981 53.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.783 28.625 52.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.257 29.622 53.559 1.00 0.00 H new ATOM 241 N HIS A 16 16.201 31.470 46.241 1.00 0.00 N ATOM 242 CA HIS A 16 15.678 31.587 44.884 1.00 0.00 C ATOM 243 C HIS A 16 15.911 30.301 44.103 1.00 0.00 C ATOM 244 O HIS A 16 17.030 29.790 44.048 1.00 0.00 O ATOM 245 CB HIS A 16 16.347 32.757 44.167 1.00 0.00 C ATOM 246 CG HIS A 16 15.983 34.082 44.760 1.00 0.00 C ATOM 247 ND1 HIS A 16 16.120 34.373 46.093 1.00 0.00 N ATOM 248 CD2 HIS A 16 15.480 35.215 44.205 1.00 0.00 C ATOM 249 CE1 HIS A 16 15.731 35.599 46.350 1.00 0.00 C ATOM 250 NE2 HIS A 16 15.331 36.149 45.214 1.00 0.00 N ATOM 0 H HIS A 16 17.085 31.956 46.395 1.00 0.00 H new ATOM 0 HA HIS A 16 14.604 31.766 44.943 1.00 0.00 H new ATOM 0 HB2 HIS A 16 17.429 32.631 44.206 1.00 0.00 H new ATOM 0 HB3 HIS A 16 16.062 32.744 43.115 1.00 0.00 H new ATOM 0 HD2 HIS A 16 15.239 35.361 43.162 1.00 0.00 H new ATOM 0 HE1 HIS A 16 15.736 36.076 47.319 1.00 0.00 H new ATOM 0 HE2 HIS A 16 14.974 37.098 45.102 1.00 0.00 H new ATOM 258 N LEU A 17 14.847 29.785 43.498 1.00 0.00 N ATOM 259 CA LEU A 17 14.929 28.558 42.712 1.00 0.00 C ATOM 260 C LEU A 17 14.457 28.821 41.287 1.00 0.00 C ATOM 261 O LEU A 17 13.287 28.623 40.963 1.00 0.00 O ATOM 262 CB LEU A 17 14.074 27.469 43.357 1.00 0.00 C ATOM 263 CG LEU A 17 14.533 26.070 42.948 1.00 0.00 C ATOM 264 CD1 LEU A 17 14.223 25.812 41.476 1.00 0.00 C ATOM 265 CD2 LEU A 17 16.024 25.886 43.222 1.00 0.00 C ATOM 0 H LEU A 17 13.915 30.198 43.537 1.00 0.00 H new ATOM 0 HA LEU A 17 15.965 28.222 42.683 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.122 27.564 44.442 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.032 27.608 43.070 1.00 0.00 H new ATOM 0 HG LEU A 17 13.985 25.344 43.548 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.557 24.811 41.204 1.00 0.00 H new ATOM 0 HD12 LEU A 17 13.149 25.893 41.311 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.741 26.547 40.861 1.00 0.00 H new ATOM 0 HD21 LEU A 17 16.328 24.883 42.923 1.00 0.00 H new ATOM 0 HD22 LEU A 17 16.592 26.622 42.653 1.00 0.00 H new ATOM 0 HD23 LEU A 17 16.218 26.022 44.286 1.00 0.00 H new ATOM 277 N ALA A 18 15.377 29.275 40.442 1.00 0.00 N ATOM 278 CA ALA A 18 15.060 29.577 39.050 1.00 0.00 C ATOM 279 C ALA A 18 15.032 28.302 38.217 1.00 0.00 C ATOM 280 O ALA A 18 15.970 27.506 38.251 1.00 0.00 O ATOM 281 CB ALA A 18 16.095 30.543 38.480 1.00 0.00 C ATOM 0 H ALA A 18 16.350 29.442 40.697 1.00 0.00 H new ATOM 0 HA ALA A 18 14.074 30.039 39.012 1.00 0.00 H new ATOM 0 HB1 ALA A 18 15.853 30.764 37.441 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.088 31.467 39.059 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.084 30.089 38.533 1.00 0.00 H new ATOM 287 N VAL A 19 13.953 28.118 37.465 1.00 0.00 N ATOM 288 CA VAL A 19 13.803 26.942 36.615 1.00 0.00 C ATOM 289 C VAL A 19 13.317 27.347 35.229 1.00 0.00 C ATOM 290 O VAL A 19 12.392 28.147 35.093 1.00 0.00 O ATOM 291 CB VAL A 19 12.820 25.960 37.244 1.00 0.00 C ATOM 292 CG1 VAL A 19 13.288 25.553 38.639 1.00 0.00 C ATOM 293 CG2 VAL A 19 11.419 26.564 37.304 1.00 0.00 C ATOM 0 H VAL A 19 13.168 28.769 37.426 1.00 0.00 H new ATOM 0 HA VAL A 19 14.775 26.458 36.519 1.00 0.00 H new ATOM 0 HB VAL A 19 12.781 25.067 36.620 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.574 24.852 39.072 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.267 25.078 38.570 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.358 26.438 39.272 1.00 0.00 H new ATOM 0 HG21 VAL A 19 10.733 25.848 37.756 1.00 0.00 H new ATOM 0 HG22 VAL A 19 11.440 27.474 37.904 1.00 0.00 H new ATOM 0 HG23 VAL A 19 11.082 26.802 36.295 1.00 0.00 H new ATOM 303 N LEU A 20 13.945 26.788 34.201 1.00 0.00 N ATOM 304 CA LEU A 20 13.577 27.092 32.821 1.00 0.00 C ATOM 305 C LEU A 20 12.495 26.136 32.338 1.00 0.00 C ATOM 306 O LEU A 20 12.791 25.096 31.750 1.00 0.00 O ATOM 307 CB LEU A 20 14.801 26.989 31.917 1.00 0.00 C ATOM 308 CG LEU A 20 14.837 28.128 30.901 1.00 0.00 C ATOM 309 CD1 LEU A 20 16.150 28.109 30.124 1.00 0.00 C ATOM 310 CD2 LEU A 20 13.649 28.034 29.948 1.00 0.00 C ATOM 0 H LEU A 20 14.712 26.122 34.296 1.00 0.00 H new ATOM 0 HA LEU A 20 13.190 28.110 32.781 1.00 0.00 H new ATOM 0 HB2 LEU A 20 15.707 27.011 32.523 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.790 26.033 31.394 1.00 0.00 H new ATOM 0 HG LEU A 20 14.770 29.073 31.440 1.00 0.00 H new ATOM 0 HD11 LEU A 20 16.159 28.928 29.404 1.00 0.00 H new ATOM 0 HD12 LEU A 20 16.984 28.225 30.816 1.00 0.00 H new ATOM 0 HD13 LEU A 20 16.247 27.160 29.596 1.00 0.00 H new ATOM 0 HD21 LEU A 20 13.692 28.854 29.231 1.00 0.00 H new ATOM 0 HD22 LEU A 20 13.684 27.084 29.415 1.00 0.00 H new ATOM 0 HD23 LEU A 20 12.721 28.097 30.516 1.00 0.00 H new ATOM 322 N VAL A 21 11.240 26.494 32.587 1.00 0.00 N ATOM 323 CA VAL A 21 10.113 25.665 32.174 1.00 0.00 C ATOM 324 C VAL A 21 9.712 25.995 30.743 1.00 0.00 C ATOM 325 O VAL A 21 9.157 27.060 30.472 1.00 0.00 O ATOM 326 CB VAL A 21 8.929 25.885 33.111 1.00 0.00 C ATOM 327 CG1 VAL A 21 7.857 24.827 32.870 1.00 0.00 C ATOM 328 CG2 VAL A 21 9.385 25.863 34.567 1.00 0.00 C ATOM 0 H VAL A 21 10.977 27.352 33.072 1.00 0.00 H new ATOM 0 HA VAL A 21 10.413 24.618 32.222 1.00 0.00 H new ATOM 0 HB VAL A 21 8.501 26.865 32.902 1.00 0.00 H new ATOM 0 HG11 VAL A 21 7.019 24.997 33.546 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.510 24.889 31.839 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.275 23.837 33.053 1.00 0.00 H new ATOM 0 HG21 VAL A 21 8.526 26.022 35.220 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.838 24.898 34.792 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.117 26.654 34.731 1.00 0.00 H new ATOM 338 N LYS A 22 9.995 25.072 29.830 1.00 0.00 N ATOM 339 CA LYS A 22 9.665 25.258 28.421 1.00 0.00 C ATOM 340 C LYS A 22 10.097 24.041 27.614 1.00 0.00 C ATOM 341 O LYS A 22 10.699 23.111 28.150 1.00 0.00 O ATOM 342 CB LYS A 22 10.352 26.511 27.885 1.00 0.00 C ATOM 343 CG LYS A 22 9.340 27.619 27.604 1.00 0.00 C ATOM 344 CD LYS A 22 9.908 28.656 26.638 1.00 0.00 C ATOM 345 CE LYS A 22 10.229 28.032 25.283 1.00 0.00 C ATOM 346 NZ LYS A 22 9.692 28.858 24.165 1.00 0.00 N ATOM 0 H LYS A 22 10.453 24.185 30.041 1.00 0.00 H new ATOM 0 HA LYS A 22 8.586 25.377 28.326 1.00 0.00 H new ATOM 0 HB2 LYS A 22 11.088 26.862 28.608 1.00 0.00 H new ATOM 0 HB3 LYS A 22 10.893 26.269 26.970 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.431 27.187 27.184 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.060 28.104 28.539 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.191 29.466 26.507 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.811 29.095 27.062 1.00 0.00 H new ATOM 0 HE2 LYS A 22 11.309 27.928 25.175 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.805 27.029 25.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.926 28.408 23.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.659 28.936 24.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 10.116 29.807 24.200 1.00 0.00 H new ATOM 360 N TYR A 23 9.785 24.053 26.323 1.00 0.00 N ATOM 361 CA TYR A 23 10.141 22.947 25.439 1.00 0.00 C ATOM 362 C TYR A 23 9.594 23.192 24.039 1.00 0.00 C ATOM 363 O TYR A 23 9.095 22.274 23.388 1.00 0.00 O ATOM 364 CB TYR A 23 9.584 21.640 25.994 1.00 0.00 C ATOM 365 CG TYR A 23 8.145 21.755 26.423 1.00 0.00 C ATOM 366 CD1 TYR A 23 7.131 21.567 25.501 1.00 0.00 C ATOM 367 CD2 TYR A 23 7.836 22.047 27.739 1.00 0.00 C ATOM 368 CE1 TYR A 23 5.809 21.672 25.896 1.00 0.00 C ATOM 369 CE2 TYR A 23 6.514 22.152 28.133 1.00 0.00 C ATOM 370 CZ TYR A 23 5.506 21.964 27.209 1.00 0.00 C ATOM 371 OH TYR A 23 4.191 22.069 27.601 1.00 0.00 O ATOM 0 H TYR A 23 9.286 24.816 25.864 1.00 0.00 H new ATOM 0 HA TYR A 23 11.227 22.878 25.383 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.671 20.862 25.236 1.00 0.00 H new ATOM 0 HB3 TYR A 23 10.188 21.325 26.845 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.371 21.338 24.473 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.627 22.193 28.460 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.016 21.526 25.177 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.271 22.380 29.160 1.00 0.00 H new ATOM 0 HH TYR A 23 4.151 22.278 28.558 1.00 0.00 H new ATOM 381 N GLU A 24 9.691 24.435 23.582 1.00 0.00 N ATOM 382 CA GLU A 24 9.206 24.804 22.256 1.00 0.00 C ATOM 383 C GLU A 24 7.737 24.427 22.105 1.00 0.00 C ATOM 384 O GLU A 24 7.151 23.806 22.991 1.00 0.00 O ATOM 385 CB GLU A 24 10.038 24.102 21.188 1.00 0.00 C ATOM 386 CG GLU A 24 10.569 25.095 20.159 1.00 0.00 C ATOM 387 CD GLU A 24 11.898 25.677 20.624 1.00 0.00 C ATOM 388 OE1 GLU A 24 11.885 26.552 21.514 1.00 0.00 O ATOM 389 OE2 GLU A 24 12.949 25.256 20.096 1.00 0.00 O ATOM 0 H GLU A 24 10.101 25.205 24.110 1.00 0.00 H new ATOM 0 HA GLU A 24 9.303 25.883 22.133 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.872 23.581 21.658 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.431 23.347 20.689 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.698 24.599 19.197 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.845 25.896 20.010 1.00 0.00 H new ATOM 396 N GLY A 25 7.146 24.809 20.977 1.00 0.00 N ATOM 397 CA GLY A 25 5.743 24.512 20.707 1.00 0.00 C ATOM 398 C GLY A 25 4.836 25.345 21.603 1.00 0.00 C ATOM 399 O GLY A 25 4.606 26.527 21.344 1.00 0.00 O ATOM 0 H GLY A 25 7.617 25.325 20.234 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.517 24.717 19.661 1.00 0.00 H new ATOM 0 HA3 GLY A 25 5.552 23.452 20.872 1.00 0.00 H new ATOM 403 N ASP A 26 4.324 24.723 22.660 1.00 0.00 N ATOM 404 CA ASP A 26 3.441 25.407 23.599 1.00 0.00 C ATOM 405 C ASP A 26 4.110 26.667 24.134 1.00 0.00 C ATOM 406 O ASP A 26 5.314 26.858 23.971 1.00 0.00 O ATOM 407 CB ASP A 26 3.088 24.477 24.756 1.00 0.00 C ATOM 408 CG ASP A 26 2.212 23.333 24.263 1.00 0.00 C ATOM 409 OD1 ASP A 26 2.623 22.636 23.312 1.00 0.00 O ATOM 410 OD2 ASP A 26 1.117 23.136 24.829 1.00 0.00 O ATOM 0 H ASP A 26 4.505 23.746 22.888 1.00 0.00 H new ATOM 0 HA ASP A 26 2.528 25.689 23.075 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.999 24.080 25.204 1.00 0.00 H new ATOM 0 HB3 ASP A 26 2.567 25.034 25.534 1.00 0.00 H new ATOM 415 N THR A 27 3.321 27.524 24.773 1.00 0.00 N ATOM 416 CA THR A 27 3.839 28.768 25.334 1.00 0.00 C ATOM 417 C THR A 27 3.722 28.757 26.853 1.00 0.00 C ATOM 418 O THR A 27 3.433 27.722 27.455 1.00 0.00 O ATOM 419 CB THR A 27 3.073 29.956 24.760 1.00 0.00 C ATOM 420 OG1 THR A 27 2.334 29.551 23.618 1.00 0.00 O ATOM 421 CG2 THR A 27 4.029 31.086 24.392 1.00 0.00 C ATOM 0 H THR A 27 2.321 27.381 24.916 1.00 0.00 H new ATOM 0 HA THR A 27 4.892 28.859 25.067 1.00 0.00 H new ATOM 0 HB THR A 27 2.383 30.323 25.520 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.844 30.319 23.256 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.463 31.923 23.985 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.568 31.411 25.282 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.741 30.732 23.646 1.00 0.00 H new ATOM 429 N MET A 28 3.953 29.912 27.469 1.00 0.00 N ATOM 430 CA MET A 28 3.879 30.037 28.923 1.00 0.00 C ATOM 431 C MET A 28 2.745 30.968 29.324 1.00 0.00 C ATOM 432 O MET A 28 2.656 32.097 28.843 1.00 0.00 O ATOM 433 CB MET A 28 5.195 30.579 29.460 1.00 0.00 C ATOM 434 CG MET A 28 6.256 29.485 29.537 1.00 0.00 C ATOM 435 SD MET A 28 6.021 28.401 30.955 1.00 0.00 S ATOM 436 CE MET A 28 6.004 26.789 30.154 1.00 0.00 C ATOM 0 H MET A 28 4.193 30.777 26.984 1.00 0.00 H new ATOM 0 HA MET A 28 3.689 29.051 29.346 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.548 31.386 28.817 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.038 31.006 30.450 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.231 28.893 28.622 1.00 0.00 H new ATOM 0 HG3 MET A 28 7.243 29.943 29.593 1.00 0.00 H new ATOM 0 HE1 MET A 28 5.848 26.012 30.903 1.00 0.00 H new ATOM 0 HE2 MET A 28 5.197 26.755 29.422 1.00 0.00 H new ATOM 0 HE3 MET A 28 6.957 26.622 29.651 1.00 0.00 H new ATOM 446 N ALA A 29 1.880 30.489 30.210 1.00 0.00 N ATOM 447 CA ALA A 29 0.746 31.279 30.677 1.00 0.00 C ATOM 448 C ALA A 29 0.843 31.520 32.178 1.00 0.00 C ATOM 449 O ALA A 29 0.892 32.664 32.631 1.00 0.00 O ATOM 450 CB ALA A 29 -0.551 30.550 30.350 1.00 0.00 C ATOM 0 H ALA A 29 1.942 29.557 30.620 1.00 0.00 H new ATOM 0 HA ALA A 29 0.758 32.245 30.172 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.398 31.140 30.699 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.627 30.408 29.272 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.557 29.579 30.845 1.00 0.00 H new ATOM 456 N GLU A 30 0.870 30.436 32.946 1.00 0.00 N ATOM 457 CA GLU A 30 0.960 30.527 34.399 1.00 0.00 C ATOM 458 C GLU A 30 1.678 29.307 34.959 1.00 0.00 C ATOM 459 O GLU A 30 1.658 28.234 34.356 1.00 0.00 O ATOM 460 CB GLU A 30 -0.436 30.636 35.004 1.00 0.00 C ATOM 461 CG GLU A 30 -0.494 31.733 36.063 1.00 0.00 C ATOM 462 CD GLU A 30 -1.019 33.027 35.454 1.00 0.00 C ATOM 463 OE1 GLU A 30 -0.885 33.204 34.225 1.00 0.00 O ATOM 464 OE2 GLU A 30 -1.564 33.861 36.207 1.00 0.00 O ATOM 0 H GLU A 30 0.831 29.483 32.586 1.00 0.00 H new ATOM 0 HA GLU A 30 1.529 31.419 34.660 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.161 30.847 34.218 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.718 29.682 35.449 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.139 31.421 36.884 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.499 31.897 36.482 1.00 0.00 H new ATOM 471 N VAL A 31 2.314 29.475 36.114 1.00 0.00 N ATOM 472 CA VAL A 31 3.045 28.383 36.752 1.00 0.00 C ATOM 473 C VAL A 31 2.989 28.509 38.268 1.00 0.00 C ATOM 474 O VAL A 31 2.981 29.613 38.813 1.00 0.00 O ATOM 475 CB VAL A 31 4.504 28.387 36.300 1.00 0.00 C ATOM 476 CG1 VAL A 31 5.173 27.060 36.648 1.00 0.00 C ATOM 477 CG2 VAL A 31 4.613 28.664 34.803 1.00 0.00 C ATOM 0 H VAL A 31 2.339 30.356 36.628 1.00 0.00 H new ATOM 0 HA VAL A 31 2.575 27.445 36.456 1.00 0.00 H new ATOM 0 HB VAL A 31 5.020 29.188 36.830 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.212 27.079 36.319 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.136 26.906 37.726 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.649 26.246 36.147 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.662 28.661 34.508 1.00 0.00 H new ATOM 0 HG22 VAL A 31 4.079 27.891 34.250 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.176 29.637 34.580 1.00 0.00 H new ATOM 487 N GLU A 32 2.968 27.365 38.944 1.00 0.00 N ATOM 488 CA GLU A 32 2.932 27.330 40.397 1.00 0.00 C ATOM 489 C GLU A 32 3.892 26.258 40.905 1.00 0.00 C ATOM 490 O GLU A 32 4.086 25.232 40.253 1.00 0.00 O ATOM 491 CB GLU A 32 1.506 27.063 40.877 1.00 0.00 C ATOM 492 CG GLU A 32 1.079 25.622 40.624 1.00 0.00 C ATOM 493 CD GLU A 32 -0.438 25.531 40.528 1.00 0.00 C ATOM 494 OE1 GLU A 32 -1.110 25.678 41.570 1.00 0.00 O ATOM 495 OE2 GLU A 32 -0.952 25.316 39.410 1.00 0.00 O ATOM 0 H GLU A 32 2.975 26.445 38.503 1.00 0.00 H new ATOM 0 HA GLU A 32 3.248 28.294 40.795 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.436 27.280 41.943 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.819 27.739 40.368 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.531 25.258 39.702 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.439 24.982 41.430 1.00 0.00 H new ATOM 502 N LEU A 33 4.507 26.504 42.057 1.00 0.00 N ATOM 503 CA LEU A 33 5.458 25.570 42.626 1.00 0.00 C ATOM 504 C LEU A 33 5.018 25.167 44.035 1.00 0.00 C ATOM 505 O LEU A 33 4.333 25.922 44.724 1.00 0.00 O ATOM 506 CB LEU A 33 6.846 26.237 42.619 1.00 0.00 C ATOM 507 CG LEU A 33 7.802 25.649 43.654 1.00 0.00 C ATOM 508 CD1 LEU A 33 8.198 24.226 43.273 1.00 0.00 C ATOM 509 CD2 LEU A 33 9.041 26.527 43.800 1.00 0.00 C ATOM 0 H LEU A 33 4.360 27.347 42.613 1.00 0.00 H new ATOM 0 HA LEU A 33 5.506 24.654 42.037 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.286 26.134 41.627 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.730 27.304 42.807 1.00 0.00 H new ATOM 0 HG LEU A 33 7.288 25.617 44.614 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.880 23.825 44.023 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.306 23.601 43.222 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.692 24.234 42.301 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.710 26.091 44.542 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.556 26.593 42.841 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.744 27.525 44.121 1.00 0.00 H new ATOM 521 N ARG A 34 5.428 23.973 44.450 1.00 0.00 N ATOM 522 CA ARG A 34 5.096 23.455 45.773 1.00 0.00 C ATOM 523 C ARG A 34 6.252 22.616 46.300 1.00 0.00 C ATOM 524 O ARG A 34 7.118 22.193 45.535 1.00 0.00 O ATOM 525 CB ARG A 34 3.827 22.611 45.702 1.00 0.00 C ATOM 526 CG ARG A 34 3.285 22.308 47.096 1.00 0.00 C ATOM 527 CD ARG A 34 3.731 20.929 47.574 1.00 0.00 C ATOM 528 NE ARG A 34 2.578 20.046 47.721 1.00 0.00 N ATOM 529 CZ ARG A 34 2.451 18.938 46.997 1.00 0.00 C ATOM 530 NH1 ARG A 34 2.432 19.008 45.673 1.00 0.00 N ATOM 531 NH2 ARG A 34 2.341 17.760 47.597 1.00 0.00 N ATOM 0 H ARG A 34 5.995 23.341 43.884 1.00 0.00 H new ATOM 0 HA ARG A 34 4.923 24.291 46.451 1.00 0.00 H new ATOM 0 HB2 ARG A 34 3.069 23.137 45.121 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.037 21.677 45.180 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.631 23.068 47.797 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.196 22.357 47.084 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.437 20.501 46.862 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.253 21.018 48.527 1.00 0.00 H new ATOM 0 HE ARG A 34 1.852 20.285 48.396 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.515 19.912 45.209 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.335 18.157 45.119 1.00 0.00 H new ATOM 0 HH21 ARG A 34 2.354 17.703 48.615 1.00 0.00 H new ATOM 0 HH22 ARG A 34 2.244 16.911 47.040 1.00 0.00 H new ATOM 545 N GLU A 35 6.267 22.369 47.604 1.00 0.00 N ATOM 546 CA GLU A 35 7.326 21.576 48.210 1.00 0.00 C ATOM 547 C GLU A 35 6.732 20.353 48.888 1.00 0.00 C ATOM 548 O GLU A 35 6.645 19.283 48.285 1.00 0.00 O ATOM 549 CB GLU A 35 8.106 22.421 49.216 1.00 0.00 C ATOM 550 CG GLU A 35 9.116 23.325 48.515 1.00 0.00 C ATOM 551 CD GLU A 35 8.827 24.786 48.833 1.00 0.00 C ATOM 552 OE1 GLU A 35 7.636 25.159 48.891 1.00 0.00 O ATOM 553 OE2 GLU A 35 9.792 25.556 49.023 1.00 0.00 O ATOM 0 H GLU A 35 5.561 22.705 48.259 1.00 0.00 H new ATOM 0 HA GLU A 35 8.014 21.245 47.432 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.413 23.029 49.798 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.625 21.768 49.918 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.126 23.069 48.834 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.072 23.165 47.438 1.00 0.00 H new ATOM 560 N HIS A 36 6.310 20.515 50.139 1.00 0.00 N ATOM 561 CA HIS A 36 5.713 19.419 50.886 1.00 0.00 C ATOM 562 C HIS A 36 5.322 19.881 52.284 1.00 0.00 C ATOM 563 O HIS A 36 4.264 19.515 52.796 1.00 0.00 O ATOM 564 CB HIS A 36 6.695 18.253 50.980 1.00 0.00 C ATOM 565 CG HIS A 36 6.024 16.949 51.282 1.00 0.00 C ATOM 566 ND1 HIS A 36 4.689 16.837 51.573 1.00 0.00 N ATOM 567 CD2 HIS A 36 6.503 15.679 51.344 1.00 0.00 C ATOM 568 CE1 HIS A 36 4.360 15.586 51.800 1.00 0.00 C ATOM 569 NE2 HIS A 36 5.449 14.845 51.668 1.00 0.00 N ATOM 0 H HIS A 36 6.371 21.394 50.653 1.00 0.00 H new ATOM 0 HA HIS A 36 4.816 19.089 50.362 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.239 18.166 50.040 1.00 0.00 H new ATOM 0 HB3 HIS A 36 7.430 18.466 51.756 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.525 15.375 51.171 1.00 0.00 H new ATOM 0 HE1 HIS A 36 3.373 15.225 52.051 1.00 0.00 H new ATOM 0 HE2 HIS A 36 5.501 13.833 51.785 1.00 0.00 H new ATOM 577 N GLY A 37 6.184 20.686 52.898 1.00 0.00 N ATOM 578 CA GLY A 37 5.932 21.200 54.240 1.00 0.00 C ATOM 579 C GLY A 37 4.692 22.084 54.256 1.00 0.00 C ATOM 580 O GLY A 37 3.749 21.833 55.006 1.00 0.00 O ATOM 0 H GLY A 37 7.064 20.997 52.487 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.801 20.370 54.934 1.00 0.00 H new ATOM 0 HA3 GLY A 37 6.795 21.770 54.584 1.00 0.00 H new ATOM 584 N SER A 38 4.699 23.120 53.424 1.00 0.00 N ATOM 585 CA SER A 38 3.573 24.045 53.343 1.00 0.00 C ATOM 586 C SER A 38 2.283 23.286 53.056 1.00 0.00 C ATOM 587 O SER A 38 1.217 23.643 53.558 1.00 0.00 O ATOM 588 CB SER A 38 3.825 25.076 52.247 1.00 0.00 C ATOM 589 OG SER A 38 3.141 26.286 52.535 1.00 0.00 O ATOM 0 H SER A 38 5.472 23.341 52.796 1.00 0.00 H new ATOM 0 HA SER A 38 3.472 24.558 54.300 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.894 25.268 52.159 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.492 24.683 51.286 1.00 0.00 H new ATOM 0 HG SER A 38 3.314 26.937 51.823 1.00 0.00 H new ATOM 595 N ASP A 39 2.387 22.236 52.241 1.00 0.00 N ATOM 596 CA ASP A 39 1.235 21.409 51.867 1.00 0.00 C ATOM 597 C ASP A 39 0.451 22.066 50.738 1.00 0.00 C ATOM 598 O ASP A 39 0.203 21.449 49.703 1.00 0.00 O ATOM 599 CB ASP A 39 0.320 21.173 53.070 1.00 0.00 C ATOM 600 CG ASP A 39 -0.490 19.898 52.874 1.00 0.00 C ATOM 601 OD1 ASP A 39 0.082 18.800 53.036 1.00 0.00 O ATOM 602 OD2 ASP A 39 -1.694 20.000 52.559 1.00 0.00 O ATOM 0 H ASP A 39 3.267 21.934 51.822 1.00 0.00 H new ATOM 0 HA ASP A 39 1.610 20.445 51.523 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.916 21.098 53.980 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.351 22.022 53.198 1.00 0.00 H new ATOM 607 N GLU A 40 0.063 23.320 50.941 1.00 0.00 N ATOM 608 CA GLU A 40 -0.693 24.059 49.936 1.00 0.00 C ATOM 609 C GLU A 40 0.237 24.546 48.833 1.00 0.00 C ATOM 610 O GLU A 40 1.393 24.886 49.086 1.00 0.00 O ATOM 611 CB GLU A 40 -1.401 25.246 50.583 1.00 0.00 C ATOM 612 CG GLU A 40 -2.917 25.069 50.548 1.00 0.00 C ATOM 613 CD GLU A 40 -3.608 26.421 50.667 1.00 0.00 C ATOM 614 OE1 GLU A 40 -3.060 27.418 50.150 1.00 0.00 O ATOM 615 OE2 GLU A 40 -4.697 26.482 51.276 1.00 0.00 O ATOM 0 H GLU A 40 0.259 23.846 51.792 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.440 23.395 49.500 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -1.068 25.353 51.615 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -1.127 26.164 50.063 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.212 24.582 49.618 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.233 24.418 51.363 1.00 0.00 H new ATOM 622 N TRP A 41 -0.274 24.576 47.607 1.00 0.00 N ATOM 623 CA TRP A 41 0.511 25.019 46.460 1.00 0.00 C ATOM 624 C TRP A 41 0.746 26.523 46.524 1.00 0.00 C ATOM 625 O TRP A 41 -0.044 27.260 47.114 1.00 0.00 O ATOM 626 CB TRP A 41 -0.214 24.662 45.166 1.00 0.00 C ATOM 627 CG TRP A 41 -0.269 23.186 44.922 1.00 0.00 C ATOM 628 CD1 TRP A 41 -1.141 22.293 45.483 1.00 0.00 C ATOM 629 CD2 TRP A 41 0.587 22.422 44.048 1.00 0.00 C ATOM 630 NE1 TRP A 41 -0.862 21.044 45.002 1.00 0.00 N ATOM 631 CE2 TRP A 41 0.181 21.084 44.129 1.00 0.00 C ATOM 632 CE3 TRP A 41 1.656 22.741 43.207 1.00 0.00 C ATOM 633 CZ2 TRP A 41 0.803 20.080 43.405 1.00 0.00 C ATOM 634 CZ3 TRP A 41 2.284 21.740 42.479 1.00 0.00 C ATOM 635 CH2 TRP A 41 1.861 20.421 42.578 1.00 0.00 C ATOM 0 H TRP A 41 -1.229 24.299 47.382 1.00 0.00 H new ATOM 0 HA TRP A 41 1.477 24.514 46.482 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -1.229 25.058 45.202 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.288 25.146 44.328 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -1.921 22.535 46.189 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -1.367 20.197 45.262 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.993 23.764 43.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 0.471 19.055 43.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.110 21.989 41.829 1.00 0.00 H new ATOM 0 HH2 TRP A 41 2.361 19.654 42.005 1.00 0.00 H new ATOM 646 N VAL A 42 1.834 26.972 45.908 1.00 0.00 N ATOM 647 CA VAL A 42 2.174 28.390 45.886 1.00 0.00 C ATOM 648 C VAL A 42 2.610 28.797 44.486 1.00 0.00 C ATOM 649 O VAL A 42 3.658 28.369 44.003 1.00 0.00 O ATOM 650 CB VAL A 42 3.291 28.679 46.886 1.00 0.00 C ATOM 651 CG1 VAL A 42 2.736 28.744 48.306 1.00 0.00 C ATOM 652 CG2 VAL A 42 4.388 27.622 46.788 1.00 0.00 C ATOM 0 H VAL A 42 2.497 26.373 45.416 1.00 0.00 H new ATOM 0 HA VAL A 42 1.294 28.968 46.166 1.00 0.00 H new ATOM 0 HB VAL A 42 3.726 29.648 46.642 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.547 28.951 49.004 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.991 29.537 48.370 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.273 27.790 48.560 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.175 27.846 47.509 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.967 26.640 47.004 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.807 27.624 45.782 1.00 0.00 H new ATOM 662 N ALA A 43 1.795 29.619 43.833 1.00 0.00 N ATOM 663 CA ALA A 43 2.089 30.078 42.478 1.00 0.00 C ATOM 664 C ALA A 43 3.530 30.572 42.372 1.00 0.00 C ATOM 665 O ALA A 43 4.129 30.984 43.366 1.00 0.00 O ATOM 666 CB ALA A 43 1.126 31.196 42.088 1.00 0.00 C ATOM 0 H ALA A 43 0.924 29.982 44.220 1.00 0.00 H new ATOM 0 HA ALA A 43 1.963 29.238 41.795 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.351 31.534 41.076 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.102 30.824 42.127 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.236 32.030 42.782 1.00 0.00 H new ATOM 672 N MET A 44 4.080 30.529 41.161 1.00 0.00 N ATOM 673 CA MET A 44 5.451 30.972 40.922 1.00 0.00 C ATOM 674 C MET A 44 5.521 32.494 40.906 1.00 0.00 C ATOM 675 O MET A 44 4.538 33.171 41.203 1.00 0.00 O ATOM 676 CB MET A 44 5.953 30.413 39.594 1.00 0.00 C ATOM 677 CG MET A 44 6.978 29.305 39.812 1.00 0.00 C ATOM 678 SD MET A 44 8.559 29.938 40.395 1.00 0.00 S ATOM 679 CE MET A 44 9.473 28.407 40.637 1.00 0.00 C ATOM 0 H MET A 44 3.596 30.191 40.329 1.00 0.00 H new ATOM 0 HA MET A 44 6.085 30.602 41.728 1.00 0.00 H new ATOM 0 HB2 MET A 44 5.112 30.026 39.019 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.400 31.214 39.005 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.587 28.589 40.535 1.00 0.00 H new ATOM 0 HG3 MET A 44 7.128 28.764 38.878 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.311 28.586 41.311 1.00 0.00 H new ATOM 0 HE2 MET A 44 8.814 27.654 41.070 1.00 0.00 H new ATOM 0 HE3 MET A 44 9.849 28.052 39.677 1.00 0.00 H new ATOM 689 N THR A 45 6.689 33.030 40.558 1.00 0.00 N ATOM 690 CA THR A 45 6.876 34.475 40.508 1.00 0.00 C ATOM 691 C THR A 45 7.956 34.839 39.498 1.00 0.00 C ATOM 692 O THR A 45 9.148 34.687 39.767 1.00 0.00 O ATOM 693 CB THR A 45 7.261 34.996 41.890 1.00 0.00 C ATOM 694 OG1 THR A 45 6.288 34.601 42.844 1.00 0.00 O ATOM 695 CG2 THR A 45 7.395 36.515 41.879 1.00 0.00 C ATOM 0 H THR A 45 7.515 32.487 40.308 1.00 0.00 H new ATOM 0 HA THR A 45 5.939 34.937 40.197 1.00 0.00 H new ATOM 0 HB THR A 45 8.226 34.569 42.163 1.00 0.00 H new ATOM 0 HG1 THR A 45 6.542 34.937 43.729 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.670 36.863 42.875 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.167 36.807 41.167 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.444 36.962 41.588 1.00 0.00 H new ATOM 703 N LYS A 46 7.533 35.326 38.335 1.00 0.00 N ATOM 704 CA LYS A 46 8.466 35.718 37.284 1.00 0.00 C ATOM 705 C LYS A 46 9.398 36.808 37.797 1.00 0.00 C ATOM 706 O LYS A 46 9.108 37.997 37.669 1.00 0.00 O ATOM 707 CB LYS A 46 7.699 36.218 36.063 1.00 0.00 C ATOM 708 CG LYS A 46 6.630 37.233 36.457 1.00 0.00 C ATOM 709 CD LYS A 46 6.427 38.278 35.362 1.00 0.00 C ATOM 710 CE LYS A 46 5.585 37.723 34.217 1.00 0.00 C ATOM 711 NZ LYS A 46 4.968 38.819 33.417 1.00 0.00 N ATOM 0 H LYS A 46 6.550 35.459 38.097 1.00 0.00 H new ATOM 0 HA LYS A 46 9.060 34.850 36.996 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.393 36.673 35.356 1.00 0.00 H new ATOM 0 HB3 LYS A 46 7.233 35.375 35.553 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.689 36.717 36.650 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.919 37.727 37.385 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.940 39.158 35.782 1.00 0.00 H new ATOM 0 HD3 LYS A 46 7.396 38.602 34.981 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.208 37.105 33.571 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.803 37.078 34.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.402 38.410 32.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.355 39.393 34.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.716 39.420 33.016 1.00 0.00 H new ATOM 725 N GLY A 47 10.515 36.395 38.387 1.00 0.00 N ATOM 726 CA GLY A 47 11.487 37.337 38.930 1.00 0.00 C ATOM 727 C GLY A 47 12.767 37.345 38.106 1.00 0.00 C ATOM 728 O GLY A 47 13.468 38.356 38.048 1.00 0.00 O ATOM 0 H GLY A 47 10.770 35.414 38.501 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.056 38.338 38.947 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.717 37.071 39.962 1.00 0.00 H new ATOM 732 N GLU A 48 13.077 36.218 37.474 1.00 0.00 N ATOM 733 CA GLU A 48 14.283 36.110 36.663 1.00 0.00 C ATOM 734 C GLU A 48 14.136 36.906 35.369 1.00 0.00 C ATOM 735 O GLU A 48 15.102 37.489 34.875 1.00 0.00 O ATOM 736 CB GLU A 48 14.556 34.643 36.347 1.00 0.00 C ATOM 737 CG GLU A 48 15.754 34.490 35.411 1.00 0.00 C ATOM 738 CD GLU A 48 16.918 33.837 36.147 1.00 0.00 C ATOM 739 OE1 GLU A 48 16.949 33.910 37.394 1.00 0.00 O ATOM 740 OE2 GLU A 48 17.796 33.256 35.476 1.00 0.00 O ATOM 0 H GLU A 48 12.512 35.370 37.508 1.00 0.00 H new ATOM 0 HA GLU A 48 15.122 36.522 37.224 1.00 0.00 H new ATOM 0 HB2 GLU A 48 14.743 34.098 37.272 1.00 0.00 H new ATOM 0 HB3 GLU A 48 13.674 34.197 35.888 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.475 33.886 34.548 1.00 0.00 H new ATOM 0 HG3 GLU A 48 16.056 35.467 35.032 1.00 0.00 H new ATOM 747 N GLY A 49 12.931 36.911 34.818 1.00 0.00 N ATOM 748 CA GLY A 49 12.655 37.616 33.570 1.00 0.00 C ATOM 749 C GLY A 49 12.281 36.610 32.493 1.00 0.00 C ATOM 750 O GLY A 49 11.396 36.851 31.672 1.00 0.00 O ATOM 0 H GLY A 49 12.123 36.433 35.217 1.00 0.00 H new ATOM 0 HA2 GLY A 49 11.843 38.329 33.714 1.00 0.00 H new ATOM 0 HA3 GLY A 49 13.530 38.187 33.261 1.00 0.00 H new ATOM 754 N GLY A 50 12.953 35.466 32.529 1.00 0.00 N ATOM 755 CA GLY A 50 12.702 34.381 31.591 1.00 0.00 C ATOM 756 C GLY A 50 12.717 33.050 32.336 1.00 0.00 C ATOM 757 O GLY A 50 12.923 31.992 31.743 1.00 0.00 O ATOM 0 H GLY A 50 13.686 35.265 33.209 1.00 0.00 H new ATOM 0 HA2 GLY A 50 11.739 34.525 31.101 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.460 34.380 30.808 1.00 0.00 H new ATOM 761 N VAL A 51 12.502 33.121 33.650 1.00 0.00 N ATOM 762 CA VAL A 51 12.491 31.945 34.506 1.00 0.00 C ATOM 763 C VAL A 51 11.655 32.238 35.746 1.00 0.00 C ATOM 764 O VAL A 51 11.650 33.361 36.250 1.00 0.00 O ATOM 765 CB VAL A 51 13.926 31.587 34.909 1.00 0.00 C ATOM 766 CG1 VAL A 51 13.945 30.541 36.009 1.00 0.00 C ATOM 767 CG2 VAL A 51 14.727 31.108 33.702 1.00 0.00 C ATOM 0 H VAL A 51 12.331 33.996 34.146 1.00 0.00 H new ATOM 0 HA VAL A 51 12.057 31.102 33.969 1.00 0.00 H new ATOM 0 HB VAL A 51 14.395 32.492 35.296 1.00 0.00 H new ATOM 0 HG11 VAL A 51 14.977 30.309 36.272 1.00 0.00 H new ATOM 0 HG12 VAL A 51 13.424 30.926 36.886 1.00 0.00 H new ATOM 0 HG13 VAL A 51 13.447 29.636 35.660 1.00 0.00 H new ATOM 0 HG21 VAL A 51 15.742 30.860 34.014 1.00 0.00 H new ATOM 0 HG22 VAL A 51 14.252 30.224 33.277 1.00 0.00 H new ATOM 0 HG23 VAL A 51 14.761 31.897 32.951 1.00 0.00 H new ATOM 777 N TRP A 52 10.947 31.229 36.232 1.00 0.00 N ATOM 778 CA TRP A 52 10.105 31.387 37.410 1.00 0.00 C ATOM 779 C TRP A 52 10.886 31.040 38.668 1.00 0.00 C ATOM 780 O TRP A 52 11.224 29.880 38.904 1.00 0.00 O ATOM 781 CB TRP A 52 8.877 30.495 37.281 1.00 0.00 C ATOM 782 CG TRP A 52 8.395 30.402 35.866 1.00 0.00 C ATOM 783 CD1 TRP A 52 7.921 29.291 35.236 1.00 0.00 C ATOM 784 CD2 TRP A 52 8.374 31.466 34.893 1.00 0.00 C ATOM 785 NE1 TRP A 52 7.588 29.621 33.952 1.00 0.00 N ATOM 786 CE2 TRP A 52 7.852 30.934 33.708 1.00 0.00 C ATOM 787 CE3 TRP A 52 8.737 32.815 34.913 1.00 0.00 C ATOM 788 CZ2 TRP A 52 7.687 31.702 32.567 1.00 0.00 C ATOM 789 CZ3 TRP A 52 8.577 33.589 33.772 1.00 0.00 C ATOM 790 CH2 TRP A 52 8.054 33.036 32.609 1.00 0.00 C ATOM 0 H TRP A 52 10.938 30.292 35.829 1.00 0.00 H new ATOM 0 HA TRP A 52 9.783 32.426 37.485 1.00 0.00 H new ATOM 0 HB2 TRP A 52 9.114 29.497 37.649 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.078 30.886 37.911 1.00 0.00 H new ATOM 0 HD1 TRP A 52 7.824 28.311 35.678 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.195 28.972 33.270 1.00 0.00 H new ATOM 0 HE3 TRP A 52 9.141 33.254 35.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 7.281 31.269 31.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 8.862 34.631 33.788 1.00 0.00 H new ATOM 0 HH2 TRP A 52 7.933 33.652 31.731 1.00 0.00 H new ATOM 801 N THR A 53 11.176 32.057 39.472 1.00 0.00 N ATOM 802 CA THR A 53 11.926 31.867 40.709 1.00 0.00 C ATOM 803 C THR A 53 10.987 31.877 41.908 1.00 0.00 C ATOM 804 O THR A 53 10.023 32.642 41.949 1.00 0.00 O ATOM 805 CB THR A 53 12.970 32.969 40.860 1.00 0.00 C ATOM 806 OG1 THR A 53 12.471 34.186 40.327 1.00 0.00 O ATOM 807 CG2 THR A 53 14.270 32.587 40.159 1.00 0.00 C ATOM 0 H THR A 53 10.903 33.023 39.289 1.00 0.00 H new ATOM 0 HA THR A 53 12.428 30.900 40.666 1.00 0.00 H new ATOM 0 HB THR A 53 13.179 33.100 41.922 1.00 0.00 H new ATOM 0 HG1 THR A 53 13.146 34.889 40.429 1.00 0.00 H new ATOM 0 HG21 THR A 53 14.998 33.389 40.281 1.00 0.00 H new ATOM 0 HG22 THR A 53 14.663 31.670 40.597 1.00 0.00 H new ATOM 0 HG23 THR A 53 14.078 32.429 39.098 1.00 0.00 H new ATOM 815 N PHE A 54 11.276 31.024 42.883 1.00 0.00 N ATOM 816 CA PHE A 54 10.460 30.932 44.089 1.00 0.00 C ATOM 817 C PHE A 54 11.341 30.989 45.330 1.00 0.00 C ATOM 818 O PHE A 54 12.478 30.517 45.319 1.00 0.00 O ATOM 819 CB PHE A 54 9.657 29.636 44.079 1.00 0.00 C ATOM 820 CG PHE A 54 8.687 29.541 45.229 1.00 0.00 C ATOM 821 CD1 PHE A 54 7.432 30.118 45.127 1.00 0.00 C ATOM 822 CD2 PHE A 54 9.052 28.880 46.390 1.00 0.00 C ATOM 823 CE1 PHE A 54 6.542 30.033 46.184 1.00 0.00 C ATOM 824 CE2 PHE A 54 8.162 28.796 47.448 1.00 0.00 C ATOM 825 CZ PHE A 54 6.907 29.372 47.345 1.00 0.00 C ATOM 0 H PHE A 54 12.071 30.385 42.863 1.00 0.00 H new ATOM 0 HA PHE A 54 9.771 31.777 44.110 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.109 29.561 43.140 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.342 28.789 44.117 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.148 30.635 44.222 1.00 0.00 H new ATOM 0 HD2 PHE A 54 10.031 28.430 46.470 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.563 30.482 46.103 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.447 28.281 48.354 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.213 29.306 48.170 1.00 0.00 H new ATOM 835 N ASP A 55 10.810 31.572 46.400 1.00 0.00 N ATOM 836 CA ASP A 55 11.549 31.693 47.652 1.00 0.00 C ATOM 837 C ASP A 55 11.318 30.468 48.526 1.00 0.00 C ATOM 838 O ASP A 55 10.284 30.346 49.182 1.00 0.00 O ATOM 839 CB ASP A 55 11.110 32.951 48.395 1.00 0.00 C ATOM 840 CG ASP A 55 11.708 34.187 47.734 1.00 0.00 C ATOM 841 OD1 ASP A 55 12.900 34.146 47.364 1.00 0.00 O ATOM 842 OD2 ASP A 55 10.983 35.193 47.587 1.00 0.00 O ATOM 0 H ASP A 55 9.870 31.968 46.425 1.00 0.00 H new ATOM 0 HA ASP A 55 12.613 31.764 47.424 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.022 33.021 48.397 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.427 32.897 49.436 1.00 0.00 H new ATOM 847 N SER A 56 12.289 29.561 48.531 1.00 0.00 N ATOM 848 CA SER A 56 12.194 28.342 49.328 1.00 0.00 C ATOM 849 C SER A 56 12.491 28.644 50.791 1.00 0.00 C ATOM 850 O SER A 56 12.925 29.744 51.132 1.00 0.00 O ATOM 851 CB SER A 56 13.174 27.297 48.801 1.00 0.00 C ATOM 852 OG SER A 56 12.751 25.991 49.163 1.00 0.00 O ATOM 0 H SER A 56 13.151 29.646 47.992 1.00 0.00 H new ATOM 0 HA SER A 56 11.180 27.950 49.250 1.00 0.00 H new ATOM 0 HB2 SER A 56 13.248 27.374 47.716 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.169 27.488 49.203 1.00 0.00 H new ATOM 0 HG SER A 56 11.781 25.917 49.047 1.00 0.00 H new ATOM 858 N GLU A 57 12.253 27.661 51.654 1.00 0.00 N ATOM 859 CA GLU A 57 12.494 27.823 53.085 1.00 0.00 C ATOM 860 C GLU A 57 12.198 26.526 53.825 1.00 0.00 C ATOM 861 O GLU A 57 11.235 26.440 54.586 1.00 0.00 O ATOM 862 CB GLU A 57 11.621 28.942 53.640 1.00 0.00 C ATOM 863 CG GLU A 57 10.204 28.873 53.075 1.00 0.00 C ATOM 864 CD GLU A 57 9.225 29.567 54.013 1.00 0.00 C ATOM 865 OE1 GLU A 57 8.705 28.898 54.932 1.00 0.00 O ATOM 866 OE2 GLU A 57 8.978 30.777 53.828 1.00 0.00 O ATOM 0 H GLU A 57 11.894 26.744 51.388 1.00 0.00 H new ATOM 0 HA GLU A 57 13.543 28.080 53.231 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.585 28.873 54.727 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.065 29.907 53.397 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.174 29.345 52.093 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.911 27.832 52.938 1.00 0.00 H new ATOM 873 N GLU A 58 13.034 25.520 53.597 1.00 0.00 N ATOM 874 CA GLU A 58 12.866 24.222 54.242 1.00 0.00 C ATOM 875 C GLU A 58 13.960 23.256 53.787 1.00 0.00 C ATOM 876 O GLU A 58 14.064 22.945 52.600 1.00 0.00 O ATOM 877 CB GLU A 58 11.496 23.648 53.898 1.00 0.00 C ATOM 878 CG GLU A 58 11.360 23.395 52.399 1.00 0.00 C ATOM 879 CD GLU A 58 10.060 23.995 51.880 1.00 0.00 C ATOM 880 OE1 GLU A 58 10.002 25.230 51.707 1.00 0.00 O ATOM 881 OE2 GLU A 58 9.102 23.228 51.646 1.00 0.00 O ATOM 0 H GLU A 58 13.836 25.578 52.970 1.00 0.00 H new ATOM 0 HA GLU A 58 12.942 24.355 55.321 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.343 22.716 54.441 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.718 24.338 54.224 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.207 23.832 51.871 1.00 0.00 H new ATOM 0 HG3 GLU A 58 11.379 22.323 52.200 1.00 0.00 H new ATOM 888 N PRO A 59 14.795 22.766 54.723 1.00 0.00 N ATOM 889 CA PRO A 59 15.883 21.830 54.399 1.00 0.00 C ATOM 890 C PRO A 59 15.376 20.422 54.087 1.00 0.00 C ATOM 891 O PRO A 59 16.161 19.534 53.755 1.00 0.00 O ATOM 892 CB PRO A 59 16.745 21.825 55.654 1.00 0.00 C ATOM 893 CG PRO A 59 15.832 22.216 56.766 1.00 0.00 C ATOM 894 CD PRO A 59 14.752 23.077 56.163 1.00 0.00 C ATOM 0 HA PRO A 59 16.422 22.137 53.503 1.00 0.00 H new ATOM 0 HB2 PRO A 59 17.177 20.840 55.829 1.00 0.00 H new ATOM 0 HB3 PRO A 59 17.575 22.526 55.563 1.00 0.00 H new ATOM 0 HG2 PRO A 59 15.403 21.334 57.241 1.00 0.00 H new ATOM 0 HG3 PRO A 59 16.375 22.762 57.538 1.00 0.00 H new ATOM 0 HD2 PRO A 59 13.776 22.847 56.590 1.00 0.00 H new ATOM 0 HD3 PRO A 59 14.939 24.135 56.347 1.00 0.00 H new ATOM 902 N LEU A 60 14.064 20.217 54.195 1.00 0.00 N ATOM 903 CA LEU A 60 13.468 18.913 53.923 1.00 0.00 C ATOM 904 C LEU A 60 13.598 18.566 52.446 1.00 0.00 C ATOM 905 O LEU A 60 12.624 18.633 51.696 1.00 0.00 O ATOM 906 CB LEU A 60 11.995 18.921 54.323 1.00 0.00 C ATOM 907 CG LEU A 60 11.822 18.626 55.810 1.00 0.00 C ATOM 908 CD1 LEU A 60 12.604 19.631 56.651 1.00 0.00 C ATOM 909 CD2 LEU A 60 10.344 18.646 56.189 1.00 0.00 C ATOM 0 H LEU A 60 13.396 20.937 54.469 1.00 0.00 H new ATOM 0 HA LEU A 60 13.997 18.160 54.508 1.00 0.00 H new ATOM 0 HB2 LEU A 60 11.558 19.892 54.090 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.453 18.178 53.737 1.00 0.00 H new ATOM 0 HG LEU A 60 12.217 17.630 56.012 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.468 19.404 57.708 1.00 0.00 H new ATOM 0 HD12 LEU A 60 13.663 19.570 56.400 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.240 20.638 56.446 1.00 0.00 H new ATOM 0 HD21 LEU A 60 10.238 18.434 57.253 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.926 19.629 55.972 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.811 17.890 55.613 1.00 0.00 H new ATOM 921 N GLN A 61 14.805 18.195 52.030 1.00 0.00 N ATOM 922 CA GLN A 61 15.059 17.837 50.637 1.00 0.00 C ATOM 923 C GLN A 61 14.546 18.934 49.710 1.00 0.00 C ATOM 924 O GLN A 61 14.177 20.017 50.166 1.00 0.00 O ATOM 925 CB GLN A 61 14.377 16.511 50.311 1.00 0.00 C ATOM 926 CG GLN A 61 14.903 15.386 51.197 1.00 0.00 C ATOM 927 CD GLN A 61 13.911 14.231 51.225 1.00 0.00 C ATOM 928 OE1 GLN A 61 13.006 14.157 50.394 1.00 0.00 O ATOM 929 NE2 GLN A 61 14.080 13.328 52.184 1.00 0.00 N ATOM 0 H GLN A 61 15.623 18.134 52.637 1.00 0.00 H new ATOM 0 HA GLN A 61 16.133 17.730 50.488 1.00 0.00 H new ATOM 0 HB2 GLN A 61 13.300 16.610 50.446 1.00 0.00 H new ATOM 0 HB3 GLN A 61 14.545 16.261 49.263 1.00 0.00 H new ATOM 0 HG2 GLN A 61 15.866 15.039 50.823 1.00 0.00 H new ATOM 0 HG3 GLN A 61 15.069 15.757 52.208 1.00 0.00 H new ATOM 0 HE21 GLN A 61 14.845 13.430 52.851 1.00 0.00 H new ATOM 0 HE22 GLN A 61 13.445 12.533 52.253 1.00 0.00 H new ATOM 938 N GLY A 62 14.524 18.656 48.410 1.00 0.00 N ATOM 939 CA GLY A 62 14.056 19.632 47.432 1.00 0.00 C ATOM 940 C GLY A 62 12.997 19.037 46.507 1.00 0.00 C ATOM 941 O GLY A 62 13.074 19.195 45.289 1.00 0.00 O ATOM 0 H GLY A 62 14.824 17.767 48.011 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.643 20.498 47.950 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.899 19.988 46.840 1.00 0.00 H new ATOM 945 N PRO A 63 11.984 18.353 47.070 1.00 0.00 N ATOM 946 CA PRO A 63 10.903 17.751 46.276 1.00 0.00 C ATOM 947 C PRO A 63 9.904 18.803 45.809 1.00 0.00 C ATOM 948 O PRO A 63 8.934 19.099 46.507 1.00 0.00 O ATOM 949 CB PRO A 63 10.239 16.778 47.238 1.00 0.00 C ATOM 950 CG PRO A 63 10.529 17.308 48.605 1.00 0.00 C ATOM 951 CD PRO A 63 11.800 18.120 48.513 1.00 0.00 C ATOM 0 HA PRO A 63 11.276 17.271 45.371 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.165 16.720 47.059 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.637 15.771 47.115 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.704 17.925 48.961 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.646 16.491 49.317 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.711 19.059 49.059 1.00 0.00 H new ATOM 0 HD3 PRO A 63 12.647 17.582 48.940 1.00 0.00 H new ATOM 959 N PHE A 64 10.149 19.377 44.635 1.00 0.00 N ATOM 960 CA PHE A 64 9.270 20.408 44.097 1.00 0.00 C ATOM 961 C PHE A 64 8.200 19.807 43.201 1.00 0.00 C ATOM 962 O PHE A 64 8.335 18.688 42.707 1.00 0.00 O ATOM 963 CB PHE A 64 10.088 21.427 43.311 1.00 0.00 C ATOM 964 CG PHE A 64 11.099 22.151 44.163 1.00 0.00 C ATOM 965 CD1 PHE A 64 10.741 22.613 45.418 1.00 0.00 C ATOM 966 CD2 PHE A 64 12.384 22.354 43.692 1.00 0.00 C ATOM 967 CE1 PHE A 64 11.668 23.279 46.201 1.00 0.00 C ATOM 968 CE2 PHE A 64 13.312 23.020 44.475 1.00 0.00 C ATOM 969 CZ PHE A 64 12.954 23.483 45.730 1.00 0.00 C ATOM 0 H PHE A 64 10.945 19.147 44.041 1.00 0.00 H new ATOM 0 HA PHE A 64 8.775 20.902 44.933 1.00 0.00 H new ATOM 0 HB2 PHE A 64 10.604 20.920 42.496 1.00 0.00 H new ATOM 0 HB3 PHE A 64 9.414 22.155 42.858 1.00 0.00 H new ATOM 0 HD1 PHE A 64 9.738 22.454 45.786 1.00 0.00 H new ATOM 0 HD2 PHE A 64 12.663 21.993 42.713 1.00 0.00 H new ATOM 0 HE1 PHE A 64 11.388 23.640 47.180 1.00 0.00 H new ATOM 0 HE2 PHE A 64 14.315 23.178 44.107 1.00 0.00 H new ATOM 0 HZ PHE A 64 13.677 24.003 46.341 1.00 0.00 H new ATOM 979 N ASN A 65 7.137 20.575 42.995 1.00 0.00 N ATOM 980 CA ASN A 65 6.022 20.155 42.157 1.00 0.00 C ATOM 981 C ASN A 65 5.501 21.352 41.372 1.00 0.00 C ATOM 982 O ASN A 65 5.444 22.465 41.895 1.00 0.00 O ATOM 983 CB ASN A 65 4.913 19.573 43.026 1.00 0.00 C ATOM 984 CG ASN A 65 5.495 18.593 44.038 1.00 0.00 C ATOM 985 OD1 ASN A 65 5.503 17.384 43.811 1.00 0.00 O ATOM 986 ND2 ASN A 65 5.982 19.116 45.157 1.00 0.00 N ATOM 0 H ASN A 65 7.024 21.503 43.403 1.00 0.00 H new ATOM 0 HA ASN A 65 6.359 19.388 41.459 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.390 20.375 43.546 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.178 19.067 42.400 1.00 0.00 H new ATOM 0 HD21 ASN A 65 6.384 18.509 45.871 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.954 20.125 45.303 1.00 0.00 H new ATOM 993 N PHE A 66 5.139 21.132 40.112 1.00 0.00 N ATOM 994 CA PHE A 66 4.646 22.217 39.269 1.00 0.00 C ATOM 995 C PHE A 66 3.338 21.843 38.584 1.00 0.00 C ATOM 996 O PHE A 66 3.035 20.666 38.390 1.00 0.00 O ATOM 997 CB PHE A 66 5.688 22.562 38.217 1.00 0.00 C ATOM 998 CG PHE A 66 6.904 23.240 38.796 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.926 22.482 39.348 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.001 24.622 38.778 1.00 0.00 C ATOM 1001 CE1 PHE A 66 9.042 23.107 39.880 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.117 25.246 39.310 1.00 0.00 C ATOM 1003 CZ PHE A 66 9.137 24.488 39.861 1.00 0.00 C ATOM 0 H PHE A 66 5.177 20.221 39.655 1.00 0.00 H new ATOM 0 HA PHE A 66 4.460 23.080 39.908 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.996 21.650 37.705 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.238 23.212 37.467 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.852 21.405 39.363 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.206 25.213 38.349 1.00 0.00 H new ATOM 0 HE1 PHE A 66 9.838 22.517 40.310 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.192 26.323 39.295 1.00 0.00 H new ATOM 0 HZ PHE A 66 10.007 24.975 40.276 1.00 0.00 H new ATOM 1013 N ARG A 67 2.567 22.867 38.216 1.00 0.00 N ATOM 1014 CA ARG A 67 1.283 22.675 37.543 1.00 0.00 C ATOM 1015 C ARG A 67 0.915 23.921 36.745 1.00 0.00 C ATOM 1016 O ARG A 67 -0.098 24.564 37.020 1.00 0.00 O ATOM 1017 CB ARG A 67 0.183 22.392 38.565 1.00 0.00 C ATOM 1018 CG ARG A 67 0.670 21.473 39.683 1.00 0.00 C ATOM 1019 CD ARG A 67 -0.427 21.215 40.721 1.00 0.00 C ATOM 1020 NE ARG A 67 -1.745 21.184 40.091 1.00 0.00 N ATOM 1021 CZ ARG A 67 -2.586 20.173 40.277 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -2.827 19.724 41.501 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -3.187 19.609 39.239 1.00 0.00 N ATOM 0 H ARG A 67 2.812 23.844 38.374 1.00 0.00 H new ATOM 0 HA ARG A 67 1.376 21.824 36.868 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.166 23.332 38.993 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.670 21.934 38.064 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.999 20.525 39.258 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.535 21.921 40.171 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.239 20.268 41.227 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.402 21.994 41.483 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.027 21.960 39.492 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.366 20.155 42.302 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.473 18.947 41.641 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.004 19.951 38.296 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.833 18.833 39.383 1.00 0.00 H new ATOM 1037 N PHE A 68 1.741 24.265 35.762 1.00 0.00 N ATOM 1038 CA PHE A 68 1.491 25.446 34.938 1.00 0.00 C ATOM 1039 C PHE A 68 0.263 25.247 34.066 1.00 0.00 C ATOM 1040 O PHE A 68 -0.301 24.155 33.997 1.00 0.00 O ATOM 1041 CB PHE A 68 2.697 25.755 34.055 1.00 0.00 C ATOM 1042 CG PHE A 68 3.313 24.522 33.442 1.00 0.00 C ATOM 1043 CD1 PHE A 68 2.554 23.698 32.628 1.00 0.00 C ATOM 1044 CD2 PHE A 68 4.640 24.212 33.694 1.00 0.00 C ATOM 1045 CE1 PHE A 68 3.121 22.565 32.067 1.00 0.00 C ATOM 1046 CE2 PHE A 68 5.207 23.080 33.132 1.00 0.00 C ATOM 1047 CZ PHE A 68 4.447 22.257 32.319 1.00 0.00 C ATOM 0 H PHE A 68 2.585 23.747 35.516 1.00 0.00 H new ATOM 0 HA PHE A 68 1.317 26.286 35.610 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.393 26.436 33.260 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.450 26.274 34.648 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.520 23.939 32.430 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.233 24.854 34.329 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.528 21.922 31.433 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.242 22.840 33.328 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.889 21.374 31.881 1.00 0.00 H new ATOM 1057 N LEU A 69 -0.141 26.319 33.396 1.00 0.00 N ATOM 1058 CA LEU A 69 -1.302 26.288 32.511 1.00 0.00 C ATOM 1059 C LEU A 69 -0.932 26.912 31.175 1.00 0.00 C ATOM 1060 O LEU A 69 -1.297 28.052 30.900 1.00 0.00 O ATOM 1061 CB LEU A 69 -2.486 27.053 33.125 1.00 0.00 C ATOM 1062 CG LEU A 69 -2.392 27.163 34.649 1.00 0.00 C ATOM 1063 CD1 LEU A 69 -3.441 28.136 35.179 1.00 0.00 C ATOM 1064 CD2 LEU A 69 -2.556 25.791 35.297 1.00 0.00 C ATOM 0 H LEU A 69 0.321 27.227 33.449 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.602 25.250 32.370 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.529 28.054 32.695 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.416 26.551 32.858 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.405 27.547 34.907 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.360 28.202 36.264 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.277 29.121 34.742 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.436 27.781 34.910 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.486 25.890 36.380 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.529 25.378 35.032 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.770 25.125 34.942 1.00 0.00 H new ATOM 1076 N THR A 70 -0.190 26.161 30.354 1.00 0.00 N ATOM 1077 CA THR A 70 0.262 26.631 29.036 1.00 0.00 C ATOM 1078 C THR A 70 -0.780 27.520 28.363 1.00 0.00 C ATOM 1079 O THR A 70 -1.975 27.226 28.391 1.00 0.00 O ATOM 1080 CB THR A 70 0.577 25.440 28.137 1.00 0.00 C ATOM 1081 OG1 THR A 70 -0.379 24.412 28.336 1.00 0.00 O ATOM 1082 CG2 THR A 70 1.980 24.907 28.412 1.00 0.00 C ATOM 0 H THR A 70 0.114 25.214 30.581 1.00 0.00 H new ATOM 0 HA THR A 70 1.162 27.226 29.190 1.00 0.00 H new ATOM 0 HB THR A 70 0.533 25.774 27.100 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.038 23.541 28.170 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.181 24.058 27.759 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.711 25.693 28.222 1.00 0.00 H new ATOM 0 HG23 THR A 70 2.051 24.589 29.452 1.00 0.00 H new ATOM 1090 N GLU A 71 -0.315 28.614 27.767 1.00 0.00 N ATOM 1091 CA GLU A 71 -1.198 29.558 27.093 1.00 0.00 C ATOM 1092 C GLU A 71 -2.115 28.831 26.118 1.00 0.00 C ATOM 1093 O GLU A 71 -3.230 29.279 25.850 1.00 0.00 O ATOM 1094 CB GLU A 71 -0.377 30.606 26.346 1.00 0.00 C ATOM 1095 CG GLU A 71 0.719 31.199 27.230 1.00 0.00 C ATOM 1096 CD GLU A 71 1.157 32.551 26.682 1.00 0.00 C ATOM 1097 OE1 GLU A 71 0.413 33.538 26.866 1.00 0.00 O ATOM 1098 OE2 GLU A 71 2.243 32.622 26.070 1.00 0.00 O ATOM 0 H GLU A 71 0.672 28.869 27.738 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.810 30.053 27.847 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.073 30.154 25.462 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -1.034 31.403 25.997 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.353 31.312 28.250 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.571 30.521 27.271 1.00 0.00 H new ATOM 1105 N LYS A 72 -1.641 27.709 25.586 1.00 0.00 N ATOM 1106 CA LYS A 72 -2.423 26.924 24.636 1.00 0.00 C ATOM 1107 C LYS A 72 -2.078 25.445 24.753 1.00 0.00 C ATOM 1108 O LYS A 72 -1.268 24.925 23.986 1.00 0.00 O ATOM 1109 CB LYS A 72 -2.154 27.411 23.215 1.00 0.00 C ATOM 1110 CG LYS A 72 -3.404 28.029 22.598 1.00 0.00 C ATOM 1111 CD LYS A 72 -4.333 26.956 22.038 1.00 0.00 C ATOM 1112 CE LYS A 72 -4.780 27.298 20.620 1.00 0.00 C ATOM 1113 NZ LYS A 72 -6.222 26.981 20.416 1.00 0.00 N ATOM 0 H LYS A 72 -0.721 27.323 25.796 1.00 0.00 H new ATOM 0 HA LYS A 72 -3.481 27.052 24.865 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.349 28.146 23.226 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.816 26.577 22.600 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -3.933 28.614 23.350 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.118 28.717 21.802 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -3.823 25.993 22.039 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.206 26.855 22.683 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.607 28.357 20.427 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -4.178 26.741 19.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.497 27.224 19.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.380 25.966 20.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.797 27.531 21.086 1.00 0.00 H new ATOM 1127 N GLY A 73 -2.701 24.771 25.715 1.00 0.00 N ATOM 1128 CA GLY A 73 -2.461 23.348 25.930 1.00 0.00 C ATOM 1129 C GLY A 73 -3.352 22.810 27.042 1.00 0.00 C ATOM 1130 O GLY A 73 -4.521 22.496 26.818 1.00 0.00 O ATOM 0 H GLY A 73 -3.375 25.187 26.358 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.652 22.799 25.008 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.414 23.186 26.187 1.00 0.00 H new ATOM 1134 N MET A 74 -2.790 22.703 28.241 1.00 0.00 N ATOM 1135 CA MET A 74 -3.528 22.199 29.394 1.00 0.00 C ATOM 1136 C MET A 74 -2.629 22.172 30.623 1.00 0.00 C ATOM 1137 O MET A 74 -1.462 22.560 30.557 1.00 0.00 O ATOM 1138 CB MET A 74 -4.052 20.796 29.101 1.00 0.00 C ATOM 1139 CG MET A 74 -2.958 19.910 28.513 1.00 0.00 C ATOM 1140 SD MET A 74 -2.656 18.440 29.507 1.00 0.00 S ATOM 1141 CE MET A 74 -3.339 17.163 28.439 1.00 0.00 C ATOM 0 H MET A 74 -1.823 22.959 28.440 1.00 0.00 H new ATOM 0 HA MET A 74 -4.371 22.861 29.590 1.00 0.00 H new ATOM 0 HB2 MET A 74 -4.432 20.348 30.019 1.00 0.00 H new ATOM 0 HB3 MET A 74 -4.889 20.855 28.405 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.240 19.611 27.504 1.00 0.00 H new ATOM 0 HG3 MET A 74 -2.035 20.484 28.429 1.00 0.00 H new ATOM 0 HE1 MET A 74 -3.227 16.190 28.918 1.00 0.00 H new ATOM 0 HE2 MET A 74 -4.396 17.362 28.264 1.00 0.00 H new ATOM 0 HE3 MET A 74 -2.808 17.162 27.487 1.00 0.00 H new ATOM 1151 N LYS A 75 -3.174 21.711 31.744 1.00 0.00 N ATOM 1152 CA LYS A 75 -2.414 21.634 32.988 1.00 0.00 C ATOM 1153 C LYS A 75 -1.786 20.256 33.141 1.00 0.00 C ATOM 1154 O LYS A 75 -1.951 19.388 32.284 1.00 0.00 O ATOM 1155 CB LYS A 75 -3.323 21.924 34.178 1.00 0.00 C ATOM 1156 CG LYS A 75 -4.102 23.220 33.978 1.00 0.00 C ATOM 1157 CD LYS A 75 -5.385 22.976 33.193 1.00 0.00 C ATOM 1158 CE LYS A 75 -6.590 23.591 33.898 1.00 0.00 C ATOM 1159 NZ LYS A 75 -7.723 23.801 32.953 1.00 0.00 N ATOM 0 H LYS A 75 -4.138 21.385 31.817 1.00 0.00 H new ATOM 0 HA LYS A 75 -1.621 22.381 32.956 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -4.019 21.097 34.317 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.725 21.993 35.087 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.343 23.656 34.948 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.481 23.943 33.449 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.289 23.401 32.194 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.541 21.904 33.070 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.909 22.940 34.712 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.305 24.544 34.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.527 24.220 33.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.425 24.442 32.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.009 22.888 32.546 1.00 0.00 H new ATOM 1173 N ASN A 76 -1.063 20.061 34.239 1.00 0.00 N ATOM 1174 CA ASN A 76 -0.404 18.787 34.513 1.00 0.00 C ATOM 1175 C ASN A 76 0.504 18.913 35.730 1.00 0.00 C ATOM 1176 O ASN A 76 1.237 19.891 35.870 1.00 0.00 O ATOM 1177 CB ASN A 76 0.412 18.347 33.299 1.00 0.00 C ATOM 1178 CG ASN A 76 0.049 16.921 32.908 1.00 0.00 C ATOM 1179 OD1 ASN A 76 0.500 15.961 33.533 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -0.769 16.781 31.871 1.00 0.00 N ATOM 0 H ASN A 76 -0.918 20.771 34.957 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.167 18.037 34.720 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.224 19.020 32.462 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.476 18.410 33.525 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.048 15.849 31.563 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.119 17.605 31.382 1.00 0.00 H new ATOM 1187 N VAL A 77 0.449 17.918 36.609 1.00 0.00 N ATOM 1188 CA VAL A 77 1.268 17.918 37.817 1.00 0.00 C ATOM 1189 C VAL A 77 2.576 17.177 37.574 1.00 0.00 C ATOM 1190 O VAL A 77 2.680 16.363 36.656 1.00 0.00 O ATOM 1191 CB VAL A 77 0.504 17.263 38.965 1.00 0.00 C ATOM 1192 CG1 VAL A 77 1.361 17.220 40.227 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -0.801 18.006 39.232 1.00 0.00 C ATOM 0 H VAL A 77 -0.154 17.101 36.508 1.00 0.00 H new ATOM 0 HA VAL A 77 1.496 18.950 38.082 1.00 0.00 H new ATOM 0 HB VAL A 77 0.266 16.239 38.677 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.798 16.750 41.033 1.00 0.00 H new ATOM 0 HG12 VAL A 77 2.266 16.645 40.033 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.632 18.235 40.518 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.332 17.525 40.053 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -0.583 19.041 39.497 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.422 17.984 38.336 1.00 0.00 H new ATOM 1203 N PHE A 78 3.572 17.465 38.404 1.00 0.00 N ATOM 1204 CA PHE A 78 4.878 16.828 38.286 1.00 0.00 C ATOM 1205 C PHE A 78 5.465 16.577 39.668 1.00 0.00 C ATOM 1206 O PHE A 78 5.873 17.510 40.360 1.00 0.00 O ATOM 1207 CB PHE A 78 5.813 17.712 37.469 1.00 0.00 C ATOM 1208 CG PHE A 78 5.249 18.055 36.113 1.00 0.00 C ATOM 1209 CD1 PHE A 78 5.165 17.082 35.132 1.00 0.00 C ATOM 1210 CD2 PHE A 78 4.809 19.342 35.850 1.00 0.00 C ATOM 1211 CE1 PHE A 78 4.643 17.395 33.887 1.00 0.00 C ATOM 1212 CE2 PHE A 78 4.287 19.655 34.606 1.00 0.00 C ATOM 1213 CZ PHE A 78 4.204 18.681 33.624 1.00 0.00 C ATOM 0 H PHE A 78 3.499 18.137 39.168 1.00 0.00 H new ATOM 0 HA PHE A 78 4.762 15.871 37.777 1.00 0.00 H new ATOM 0 HB2 PHE A 78 6.011 18.632 38.019 1.00 0.00 H new ATOM 0 HB3 PHE A 78 6.769 17.204 37.343 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.507 16.078 35.337 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.873 20.101 36.615 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.579 16.635 33.122 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.945 20.659 34.401 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.797 18.925 32.654 1.00 0.00 H new ATOM 1223 N ASP A 79 5.499 15.311 40.068 1.00 0.00 N ATOM 1224 CA ASP A 79 6.029 14.933 41.373 1.00 0.00 C ATOM 1225 C ASP A 79 7.516 14.621 41.279 1.00 0.00 C ATOM 1226 O ASP A 79 7.997 14.129 40.259 1.00 0.00 O ATOM 1227 CB ASP A 79 5.276 13.717 41.906 1.00 0.00 C ATOM 1228 CG ASP A 79 5.084 13.836 43.412 1.00 0.00 C ATOM 1229 OD1 ASP A 79 6.047 14.222 44.107 1.00 0.00 O ATOM 1230 OD2 ASP A 79 3.970 13.542 43.894 1.00 0.00 O ATOM 0 H ASP A 79 5.165 14.528 39.506 1.00 0.00 H new ATOM 0 HA ASP A 79 5.894 15.770 42.058 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.307 13.636 41.414 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.829 12.807 41.673 1.00 0.00 H new ATOM 1235 N ASP A 80 8.239 14.908 42.356 1.00 0.00 N ATOM 1236 CA ASP A 80 9.676 14.657 42.410 1.00 0.00 C ATOM 1237 C ASP A 80 10.377 15.265 41.202 1.00 0.00 C ATOM 1238 O ASP A 80 11.133 14.586 40.507 1.00 0.00 O ATOM 1239 CB ASP A 80 9.939 13.156 42.461 1.00 0.00 C ATOM 1240 CG ASP A 80 11.388 12.888 42.848 1.00 0.00 C ATOM 1241 OD1 ASP A 80 12.013 13.777 43.463 1.00 0.00 O ATOM 1242 OD2 ASP A 80 11.894 11.790 42.535 1.00 0.00 O ATOM 0 H ASP A 80 7.852 15.316 43.207 1.00 0.00 H new ATOM 0 HA ASP A 80 10.074 15.124 43.311 1.00 0.00 H new ATOM 0 HB2 ASP A 80 9.270 12.687 43.182 1.00 0.00 H new ATOM 0 HB3 ASP A 80 9.726 12.709 41.490 1.00 0.00 H new ATOM 1247 N VAL A 81 10.132 16.548 40.958 1.00 0.00 N ATOM 1248 CA VAL A 81 10.752 17.244 39.835 1.00 0.00 C ATOM 1249 C VAL A 81 12.249 17.398 40.085 1.00 0.00 C ATOM 1250 O VAL A 81 13.071 16.857 39.345 1.00 0.00 O ATOM 1251 CB VAL A 81 10.096 18.613 39.642 1.00 0.00 C ATOM 1252 CG1 VAL A 81 10.824 19.420 38.568 1.00 0.00 C ATOM 1253 CG2 VAL A 81 8.625 18.447 39.271 1.00 0.00 C ATOM 0 H VAL A 81 9.509 17.127 41.522 1.00 0.00 H new ATOM 0 HA VAL A 81 10.608 16.660 38.926 1.00 0.00 H new ATOM 0 HB VAL A 81 10.163 19.159 40.583 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.339 20.389 38.449 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.862 19.568 38.865 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.791 18.880 37.622 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.171 19.429 39.137 1.00 0.00 H new ATOM 0 HG22 VAL A 81 8.545 17.880 38.343 1.00 0.00 H new ATOM 0 HG23 VAL A 81 8.107 17.913 40.068 1.00 0.00 H new ATOM 1263 N VAL A 82 12.596 18.131 41.138 1.00 0.00 N ATOM 1264 CA VAL A 82 13.993 18.350 41.496 1.00 0.00 C ATOM 1265 C VAL A 82 14.407 17.388 42.606 1.00 0.00 C ATOM 1266 O VAL A 82 13.639 17.133 43.533 1.00 0.00 O ATOM 1267 CB VAL A 82 14.196 19.792 41.955 1.00 0.00 C ATOM 1268 CG1 VAL A 82 15.649 20.030 42.363 1.00 0.00 C ATOM 1269 CG2 VAL A 82 13.785 20.766 40.853 1.00 0.00 C ATOM 0 H VAL A 82 11.927 18.585 41.760 1.00 0.00 H new ATOM 0 HA VAL A 82 14.613 18.166 40.619 1.00 0.00 H new ATOM 0 HB VAL A 82 13.563 19.966 42.825 1.00 0.00 H new ATOM 0 HG11 VAL A 82 15.771 21.064 42.687 1.00 0.00 H new ATOM 0 HG12 VAL A 82 15.911 19.360 43.182 1.00 0.00 H new ATOM 0 HG13 VAL A 82 16.302 19.836 41.512 1.00 0.00 H new ATOM 0 HG21 VAL A 82 13.936 21.789 41.197 1.00 0.00 H new ATOM 0 HG22 VAL A 82 14.392 20.588 39.965 1.00 0.00 H new ATOM 0 HG23 VAL A 82 12.733 20.617 40.609 1.00 0.00 H new ATOM 1279 N PRO A 83 15.633 16.842 42.527 1.00 0.00 N ATOM 1280 CA PRO A 83 16.151 15.901 43.537 1.00 0.00 C ATOM 1281 C PRO A 83 16.430 16.585 44.870 1.00 0.00 C ATOM 1282 O PRO A 83 16.066 17.743 45.074 1.00 0.00 O ATOM 1283 CB PRO A 83 17.443 15.378 42.922 1.00 0.00 C ATOM 1284 CG PRO A 83 17.876 16.443 41.972 1.00 0.00 C ATOM 1285 CD PRO A 83 16.617 17.091 41.458 1.00 0.00 C ATOM 0 HA PRO A 83 15.432 15.114 43.763 1.00 0.00 H new ATOM 0 HB2 PRO A 83 18.200 15.199 43.686 1.00 0.00 H new ATOM 0 HB3 PRO A 83 17.280 14.432 42.407 1.00 0.00 H new ATOM 0 HG2 PRO A 83 18.513 17.173 42.471 1.00 0.00 H new ATOM 0 HG3 PRO A 83 18.458 16.020 41.153 1.00 0.00 H new ATOM 0 HD2 PRO A 83 16.758 18.158 41.284 1.00 0.00 H new ATOM 0 HD3 PRO A 83 16.299 16.653 40.512 1.00 0.00 H new ATOM 1293 N GLU A 84 17.080 15.860 45.776 1.00 0.00 N ATOM 1294 CA GLU A 84 17.411 16.395 47.092 1.00 0.00 C ATOM 1295 C GLU A 84 18.610 17.329 46.996 1.00 0.00 C ATOM 1296 O GLU A 84 18.673 18.348 47.684 1.00 0.00 O ATOM 1297 CB GLU A 84 17.719 15.252 48.056 1.00 0.00 C ATOM 1298 CG GLU A 84 16.520 14.321 48.212 1.00 0.00 C ATOM 1299 CD GLU A 84 16.659 13.124 47.280 1.00 0.00 C ATOM 1300 OE1 GLU A 84 17.474 13.195 46.337 1.00 0.00 O ATOM 1301 OE2 GLU A 84 15.952 12.117 47.495 1.00 0.00 O ATOM 0 H GLU A 84 17.388 14.900 45.622 1.00 0.00 H new ATOM 0 HA GLU A 84 16.556 16.958 47.466 1.00 0.00 H new ATOM 0 HB2 GLU A 84 18.576 14.686 47.691 1.00 0.00 H new ATOM 0 HB3 GLU A 84 17.996 15.658 49.029 1.00 0.00 H new ATOM 0 HG2 GLU A 84 16.447 13.980 49.245 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.600 14.861 47.988 1.00 0.00 H new ATOM 1308 N LYS A 85 19.560 16.976 46.135 1.00 0.00 N ATOM 1309 CA LYS A 85 20.761 17.782 45.942 1.00 0.00 C ATOM 1310 C LYS A 85 20.923 18.142 44.472 1.00 0.00 C ATOM 1311 O LYS A 85 21.737 17.549 43.763 1.00 0.00 O ATOM 1312 CB LYS A 85 21.987 17.015 46.428 1.00 0.00 C ATOM 1313 CG LYS A 85 22.537 17.614 47.719 1.00 0.00 C ATOM 1314 CD LYS A 85 23.215 18.957 47.460 1.00 0.00 C ATOM 1315 CE LYS A 85 24.314 18.828 46.409 1.00 0.00 C ATOM 1316 NZ LYS A 85 25.362 19.871 46.591 1.00 0.00 N ATOM 0 H LYS A 85 19.521 16.135 45.559 1.00 0.00 H new ATOM 0 HA LYS A 85 20.663 18.701 46.520 1.00 0.00 H new ATOM 0 HB2 LYS A 85 21.724 15.970 46.592 1.00 0.00 H new ATOM 0 HB3 LYS A 85 22.759 17.032 45.658 1.00 0.00 H new ATOM 0 HG2 LYS A 85 21.727 17.745 48.436 1.00 0.00 H new ATOM 0 HG3 LYS A 85 23.251 16.924 48.168 1.00 0.00 H new ATOM 0 HD2 LYS A 85 22.473 19.683 47.127 1.00 0.00 H new ATOM 0 HD3 LYS A 85 23.640 19.338 48.389 1.00 0.00 H new ATOM 0 HE2 LYS A 85 24.767 17.839 46.473 1.00 0.00 H new ATOM 0 HE3 LYS A 85 23.880 18.916 45.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 26.095 19.757 45.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 24.932 20.814 46.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 25.792 19.771 47.533 1.00 0.00 H new ATOM 1330 N TYR A 86 20.141 19.115 44.017 1.00 0.00 N ATOM 1331 CA TYR A 86 20.194 19.555 42.627 1.00 0.00 C ATOM 1332 C TYR A 86 21.462 20.359 42.371 1.00 0.00 C ATOM 1333 O TYR A 86 22.274 20.562 43.274 1.00 0.00 O ATOM 1334 CB TYR A 86 18.967 20.401 42.303 1.00 0.00 C ATOM 1335 CG TYR A 86 18.945 21.712 43.046 1.00 0.00 C ATOM 1336 CD1 TYR A 86 19.645 22.800 42.553 1.00 0.00 C ATOM 1337 CD2 TYR A 86 18.225 21.831 44.222 1.00 0.00 C ATOM 1338 CE1 TYR A 86 19.623 24.005 43.236 1.00 0.00 C ATOM 1339 CE2 TYR A 86 18.204 23.037 44.904 1.00 0.00 C ATOM 1340 CZ TYR A 86 18.903 24.117 44.408 1.00 0.00 C ATOM 1341 OH TYR A 86 18.883 25.314 45.085 1.00 0.00 O ATOM 0 H TYR A 86 19.462 19.615 44.591 1.00 0.00 H new ATOM 0 HA TYR A 86 20.203 18.676 41.983 1.00 0.00 H new ATOM 0 HB2 TYR A 86 18.940 20.596 41.231 1.00 0.00 H new ATOM 0 HB3 TYR A 86 18.068 19.836 42.547 1.00 0.00 H new ATOM 0 HD1 TYR A 86 20.208 22.709 41.636 1.00 0.00 H new ATOM 0 HD2 TYR A 86 17.679 20.983 44.608 1.00 0.00 H new ATOM 0 HE1 TYR A 86 20.168 24.855 42.852 1.00 0.00 H new ATOM 0 HE2 TYR A 86 17.642 23.131 45.821 1.00 0.00 H new ATOM 0 HH TYR A 86 18.330 25.226 45.889 1.00 0.00 H new ATOM 1351 N THR A 87 21.627 20.814 41.133 1.00 0.00 N ATOM 1352 CA THR A 87 22.798 21.598 40.753 1.00 0.00 C ATOM 1353 C THR A 87 22.497 22.431 39.513 1.00 0.00 C ATOM 1354 O THR A 87 22.160 21.891 38.459 1.00 0.00 O ATOM 1355 CB THR A 87 23.979 20.671 40.480 1.00 0.00 C ATOM 1356 OG1 THR A 87 23.747 19.403 41.076 1.00 0.00 O ATOM 1357 CG2 THR A 87 25.276 21.271 41.014 1.00 0.00 C ATOM 0 H THR A 87 20.964 20.653 40.375 1.00 0.00 H new ATOM 0 HA THR A 87 23.051 22.269 41.574 1.00 0.00 H new ATOM 0 HB THR A 87 24.078 20.548 39.401 1.00 0.00 H new ATOM 0 HG1 THR A 87 24.508 18.813 40.896 1.00 0.00 H new ATOM 0 HG21 THR A 87 26.103 20.592 40.807 1.00 0.00 H new ATOM 0 HG22 THR A 87 25.462 22.228 40.527 1.00 0.00 H new ATOM 0 HG23 THR A 87 25.191 21.422 42.090 1.00 0.00 H new ATOM 1365 N ILE A 88 22.621 23.748 39.645 1.00 0.00 N ATOM 1366 CA ILE A 88 22.363 24.657 38.533 1.00 0.00 C ATOM 1367 C ILE A 88 23.148 24.225 37.301 1.00 0.00 C ATOM 1368 O ILE A 88 24.345 24.492 37.191 1.00 0.00 O ATOM 1369 CB ILE A 88 22.750 26.080 38.924 1.00 0.00 C ATOM 1370 CG1 ILE A 88 21.961 26.529 40.151 1.00 0.00 C ATOM 1371 CG2 ILE A 88 22.519 27.041 37.763 1.00 0.00 C ATOM 1372 CD1 ILE A 88 22.801 26.413 41.419 1.00 0.00 C ATOM 0 H ILE A 88 22.899 24.210 40.511 1.00 0.00 H new ATOM 0 HA ILE A 88 21.299 24.628 38.297 1.00 0.00 H new ATOM 0 HB ILE A 88 23.812 26.090 39.170 1.00 0.00 H new ATOM 0 HG12 ILE A 88 21.636 27.561 40.020 1.00 0.00 H new ATOM 0 HG13 ILE A 88 21.061 25.922 40.251 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.802 28.050 38.064 1.00 0.00 H new ATOM 0 HG22 ILE A 88 23.125 26.734 36.910 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.466 27.027 37.484 1.00 0.00 H new ATOM 0 HD11 ILE A 88 22.213 26.740 42.276 1.00 0.00 H new ATOM 0 HD12 ILE A 88 23.104 25.376 41.561 1.00 0.00 H new ATOM 0 HD13 ILE A 88 23.687 27.041 41.327 1.00 0.00 H new ATOM 1384 N GLY A 89 22.469 23.555 36.376 1.00 0.00 N ATOM 1385 CA GLY A 89 23.104 23.083 35.151 1.00 0.00 C ATOM 1386 C GLY A 89 22.768 21.619 34.900 1.00 0.00 C ATOM 1387 O GLY A 89 23.659 20.780 34.768 1.00 0.00 O ATOM 0 H GLY A 89 21.478 23.326 36.452 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.772 23.687 34.307 1.00 0.00 H new ATOM 0 HA3 GLY A 89 24.185 23.206 35.225 1.00 0.00 H new ATOM 1391 N ALA A 90 21.475 21.318 34.834 1.00 0.00 N ATOM 1392 CA ALA A 90 21.015 19.954 34.598 1.00 0.00 C ATOM 1393 C ALA A 90 19.494 19.916 34.523 1.00 0.00 C ATOM 1394 O ALA A 90 18.831 20.940 34.690 1.00 0.00 O ATOM 1395 CB ALA A 90 21.505 19.036 35.714 1.00 0.00 C ATOM 0 H ALA A 90 20.726 22.002 34.941 1.00 0.00 H new ATOM 0 HA ALA A 90 21.422 19.607 33.648 1.00 0.00 H new ATOM 0 HB1 ALA A 90 21.156 18.020 35.529 1.00 0.00 H new ATOM 0 HB2 ALA A 90 22.595 19.046 35.742 1.00 0.00 H new ATOM 0 HB3 ALA A 90 21.114 19.385 36.670 1.00 0.00 H new ATOM 1401 N THR A 91 18.944 18.733 34.270 1.00 0.00 N ATOM 1402 CA THR A 91 17.497 18.567 34.170 1.00 0.00 C ATOM 1403 C THR A 91 16.969 17.740 35.336 1.00 0.00 C ATOM 1404 O THR A 91 17.642 16.831 35.822 1.00 0.00 O ATOM 1405 CB THR A 91 17.145 17.885 32.850 1.00 0.00 C ATOM 1406 OG1 THR A 91 18.087 18.244 31.852 1.00 0.00 O ATOM 1407 CG2 THR A 91 15.737 18.268 32.402 1.00 0.00 C ATOM 0 H THR A 91 19.477 17.875 34.130 1.00 0.00 H new ATOM 0 HA THR A 91 17.031 19.552 34.205 1.00 0.00 H new ATOM 0 HB THR A 91 17.177 16.806 33.000 1.00 0.00 H new ATOM 0 HG1 THR A 91 17.855 17.801 31.009 1.00 0.00 H new ATOM 0 HG21 THR A 91 15.507 17.771 31.460 1.00 0.00 H new ATOM 0 HG22 THR A 91 15.017 17.959 33.160 1.00 0.00 H new ATOM 0 HG23 THR A 91 15.680 19.348 32.266 1.00 0.00 H new ATOM 1415 N TYR A 92 15.756 18.061 35.777 1.00 0.00 N ATOM 1416 CA TYR A 92 15.124 17.349 36.883 1.00 0.00 C ATOM 1417 C TYR A 92 13.610 17.362 36.722 1.00 0.00 C ATOM 1418 O TYR A 92 12.959 18.377 36.971 1.00 0.00 O ATOM 1419 CB TYR A 92 15.504 17.994 38.213 1.00 0.00 C ATOM 1420 CG TYR A 92 16.956 18.393 38.281 1.00 0.00 C ATOM 1421 CD1 TYR A 92 17.919 17.453 38.610 1.00 0.00 C ATOM 1422 CD2 TYR A 92 17.330 19.699 38.017 1.00 0.00 C ATOM 1423 CE1 TYR A 92 19.253 17.821 38.674 1.00 0.00 C ATOM 1424 CE2 TYR A 92 18.664 20.065 38.081 1.00 0.00 C ATOM 1425 CZ TYR A 92 19.618 19.125 38.410 1.00 0.00 C ATOM 1426 OH TYR A 92 20.944 19.489 38.474 1.00 0.00 O ATOM 0 H TYR A 92 15.189 18.812 35.384 1.00 0.00 H new ATOM 0 HA TYR A 92 15.475 16.317 36.874 1.00 0.00 H new ATOM 0 HB2 TYR A 92 14.883 18.875 38.374 1.00 0.00 H new ATOM 0 HB3 TYR A 92 15.286 17.298 39.023 1.00 0.00 H new ATOM 0 HD1 TYR A 92 17.630 16.433 38.817 1.00 0.00 H new ATOM 0 HD2 TYR A 92 16.581 20.433 37.761 1.00 0.00 H new ATOM 0 HE1 TYR A 92 20.005 17.089 38.930 1.00 0.00 H new ATOM 0 HE2 TYR A 92 18.957 21.084 37.874 1.00 0.00 H new ATOM 0 HH TYR A 92 21.020 20.463 38.403 1.00 0.00 H new ATOM 1436 N ALA A 93 13.054 16.231 36.305 1.00 0.00 N ATOM 1437 CA ALA A 93 11.612 16.112 36.111 1.00 0.00 C ATOM 1438 C ALA A 93 11.268 14.766 35.483 1.00 0.00 C ATOM 1439 O ALA A 93 12.156 13.970 35.176 1.00 0.00 O ATOM 1440 CB ALA A 93 11.108 17.243 35.222 1.00 0.00 C ATOM 0 H ALA A 93 13.579 15.382 36.094 1.00 0.00 H new ATOM 0 HA ALA A 93 11.125 16.179 37.084 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.031 17.145 35.084 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.327 18.201 35.693 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.604 17.193 34.253 1.00 0.00 H new ATOM 1446 N PRO A 94 9.967 14.492 35.286 1.00 0.00 N ATOM 1447 CA PRO A 94 9.504 13.232 34.692 1.00 0.00 C ATOM 1448 C PRO A 94 9.646 13.224 33.174 1.00 0.00 C ATOM 1449 O PRO A 94 9.568 14.310 32.563 1.00 0.00 O ATOM 1450 CB PRO A 94 8.040 13.153 35.097 1.00 0.00 C ATOM 1451 CG PRO A 94 7.606 14.567 35.326 1.00 0.00 C ATOM 1452 CD PRO A 94 8.844 15.383 35.626 1.00 0.00 C ATOM 0 HA PRO A 94 10.092 12.381 35.037 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.443 12.682 34.316 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.915 12.554 35.999 1.00 0.00 H new ATOM 0 HG2 PRO A 94 7.094 14.957 34.447 1.00 0.00 H new ATOM 0 HG3 PRO A 94 6.901 14.622 36.156 1.00 0.00 H new ATOM 0 HD2 PRO A 94 8.870 16.297 35.033 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.878 15.682 36.674 1.00 0.00 H new