USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 746 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.155 X(o=-0.16,f=-0.48) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.0172 X(o=-0.017,f=-0.017) USER MOD Single : A 10 HIS : no HD1:sc=-0.00267 X(o=-0.0027,f=-0.0047) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 173:sc= 0 (180deg=-0.041) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 1.24 K(o=1.2,f=-7!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 64 HIS : no HD1:sc=-0.00273 X(o=-0.0027,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.372 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.793 K(o=0.79,f=-0.28) USER MOD Single : A 91 LYS NZ :NH3+ 160:sc= 1.69 (180deg=1.36) USER MOD Single : A 92 LYS NZ :NH3+ 171:sc= 1.09 (180deg=1.04) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 150:sc= -2.42 (180deg=-6!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000964) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= 0.264 K(o=0.26,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.154 52.076 22.730 1.00 0.00 N ATOM 2 CA MET A 1 16.022 53.096 22.059 1.00 0.00 C ATOM 3 C MET A 1 15.482 53.454 20.663 1.00 0.00 C ATOM 4 O MET A 1 15.074 52.563 19.917 1.00 0.00 O ATOM 5 CB MET A 1 17.499 52.637 21.933 1.00 0.00 C ATOM 6 CG MET A 1 18.236 52.467 23.271 1.00 0.00 C ATOM 7 SD MET A 1 19.975 51.977 23.083 1.00 0.00 S ATOM 8 CE MET A 1 20.446 51.821 24.828 1.00 0.00 C ATOM 0 H1 MET A 1 15.542 51.854 23.669 1.00 0.00 H new ATOM 0 H2 MET A 1 14.191 52.454 22.834 1.00 0.00 H new ATOM 0 H3 MET A 1 15.126 51.211 22.153 1.00 0.00 H new ATOM 0 HA MET A 1 15.997 53.978 22.699 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.526 51.689 21.396 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.040 53.363 21.326 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.189 53.405 23.824 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.718 51.717 23.869 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.492 51.524 24.897 1.00 0.00 H new ATOM 0 HE2 MET A 1 20.307 52.779 25.329 1.00 0.00 H new ATOM 0 HE3 MET A 1 19.822 51.067 25.307 1.00 0.00 H new ATOM 20 N ARG A 2 15.481 54.743 20.294 1.00 0.00 N ATOM 21 CA ARG A 2 15.283 55.259 18.915 1.00 0.00 C ATOM 22 C ARG A 2 16.195 56.473 18.665 1.00 0.00 C ATOM 23 O ARG A 2 16.482 57.232 19.594 1.00 0.00 O ATOM 24 CB ARG A 2 13.809 55.656 18.654 1.00 0.00 C ATOM 25 CG ARG A 2 12.875 54.496 18.262 1.00 0.00 C ATOM 26 CD ARG A 2 12.113 53.879 19.443 1.00 0.00 C ATOM 27 NE ARG A 2 11.257 52.754 19.007 1.00 0.00 N ATOM 28 CZ ARG A 2 11.619 51.512 18.732 1.00 0.00 C ATOM 29 NH1 ARG A 2 12.855 51.099 18.808 1.00 0.00 N ATOM 30 NH2 ARG A 2 10.724 50.640 18.366 1.00 0.00 N ATOM 0 H ARG A 2 15.623 55.493 20.970 1.00 0.00 H new ATOM 0 HA ARG A 2 15.543 54.455 18.227 1.00 0.00 H new ATOM 0 HB2 ARG A 2 13.414 56.132 19.551 1.00 0.00 H new ATOM 0 HB3 ARG A 2 13.786 56.403 17.861 1.00 0.00 H new ATOM 0 HG2 ARG A 2 12.155 54.856 17.527 1.00 0.00 H new ATOM 0 HG3 ARG A 2 13.464 53.718 17.777 1.00 0.00 H new ATOM 0 HD2 ARG A 2 12.823 53.528 20.192 1.00 0.00 H new ATOM 0 HD3 ARG A 2 11.498 54.642 19.919 1.00 0.00 H new ATOM 0 HE ARG A 2 10.264 52.962 18.906 1.00 0.00 H new ATOM 0 HH11 ARG A 2 13.592 51.745 19.090 1.00 0.00 H new ATOM 0 HH12 ARG A 2 13.084 50.130 18.585 1.00 0.00 H new ATOM 0 HH21 ARG A 2 9.745 50.915 18.292 1.00 0.00 H new ATOM 0 HH22 ARG A 2 11.002 49.682 18.154 1.00 0.00 H new ATOM 44 N GLY A 3 16.634 56.664 17.418 1.00 0.00 N ATOM 45 CA GLY A 3 17.511 57.782 17.022 1.00 0.00 C ATOM 46 C GLY A 3 18.203 57.606 15.664 1.00 0.00 C ATOM 47 O GLY A 3 19.401 57.874 15.544 1.00 0.00 O ATOM 0 H GLY A 3 16.392 56.045 16.644 1.00 0.00 H new ATOM 0 HA2 GLY A 3 16.920 58.698 16.997 1.00 0.00 H new ATOM 0 HA3 GLY A 3 18.274 57.916 17.788 1.00 0.00 H new ATOM 51 N SER A 4 17.484 57.106 14.652 1.00 0.00 N ATOM 52 CA SER A 4 18.049 56.725 13.346 1.00 0.00 C ATOM 53 C SER A 4 18.583 57.929 12.552 1.00 0.00 C ATOM 54 O SER A 4 17.848 58.885 12.287 1.00 0.00 O ATOM 55 CB SER A 4 17.001 55.979 12.508 1.00 0.00 C ATOM 56 OG SER A 4 16.526 54.836 13.210 1.00 0.00 O ATOM 0 H SER A 4 16.478 56.951 14.715 1.00 0.00 H new ATOM 0 HA SER A 4 18.896 56.071 13.553 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.169 56.645 12.279 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.437 55.674 11.557 1.00 0.00 H new ATOM 0 HG SER A 4 15.857 54.371 12.664 1.00 0.00 H new ATOM 62 N HIS A 5 19.859 57.869 12.145 1.00 0.00 N ATOM 63 CA HIS A 5 20.559 58.931 11.393 1.00 0.00 C ATOM 64 C HIS A 5 21.451 58.386 10.252 1.00 0.00 C ATOM 65 O HIS A 5 22.297 59.094 9.704 1.00 0.00 O ATOM 66 CB HIS A 5 21.334 59.802 12.403 1.00 0.00 C ATOM 67 CG HIS A 5 21.631 61.208 11.929 1.00 0.00 C ATOM 68 ND1 HIS A 5 22.903 61.759 11.731 1.00 0.00 N ATOM 69 CD2 HIS A 5 20.694 62.178 11.713 1.00 0.00 C ATOM 70 CE1 HIS A 5 22.699 63.042 11.384 1.00 0.00 C ATOM 71 NE2 HIS A 5 21.382 63.321 11.367 1.00 0.00 N ATOM 0 H HIS A 5 20.452 57.061 12.333 1.00 0.00 H new ATOM 0 HA HIS A 5 19.824 59.546 10.875 1.00 0.00 H new ATOM 0 HB2 HIS A 5 20.760 59.859 13.328 1.00 0.00 H new ATOM 0 HB3 HIS A 5 22.275 59.307 12.641 1.00 0.00 H new ATOM 0 HD2 HIS A 5 19.623 62.070 11.797 1.00 0.00 H new ATOM 0 HE1 HIS A 5 23.482 63.749 11.152 1.00 0.00 H new ATOM 0 HE2 HIS A 5 20.965 64.223 11.138 1.00 0.00 H new ATOM 79 N HIS A 6 21.269 57.112 9.880 1.00 0.00 N ATOM 80 CA HIS A 6 22.132 56.365 8.943 1.00 0.00 C ATOM 81 C HIS A 6 21.862 56.639 7.449 1.00 0.00 C ATOM 82 O HIS A 6 22.632 56.196 6.594 1.00 0.00 O ATOM 83 CB HIS A 6 22.033 54.865 9.272 1.00 0.00 C ATOM 84 CG HIS A 6 20.627 54.308 9.229 1.00 0.00 C ATOM 85 ND1 HIS A 6 19.805 54.242 8.098 1.00 0.00 N ATOM 86 CD2 HIS A 6 19.940 53.813 10.301 1.00 0.00 C ATOM 87 CE1 HIS A 6 18.645 53.705 8.515 1.00 0.00 C ATOM 88 NE2 HIS A 6 18.698 53.438 9.832 1.00 0.00 N ATOM 0 H HIS A 6 20.493 56.551 10.232 1.00 0.00 H new ATOM 0 HA HIS A 6 23.150 56.725 9.091 1.00 0.00 H new ATOM 0 HB2 HIS A 6 22.653 54.309 8.568 1.00 0.00 H new ATOM 0 HB3 HIS A 6 22.448 54.695 10.265 1.00 0.00 H new ATOM 0 HD2 HIS A 6 20.299 53.731 11.316 1.00 0.00 H new ATOM 0 HE1 HIS A 6 17.791 53.515 7.882 1.00 0.00 H new ATOM 0 HE2 HIS A 6 17.948 53.028 10.389 1.00 0.00 H new ATOM 96 N HIS A 7 20.805 57.393 7.121 1.00 0.00 N ATOM 97 CA HIS A 7 20.397 57.700 5.738 1.00 0.00 C ATOM 98 C HIS A 7 21.390 58.605 4.981 1.00 0.00 C ATOM 99 O HIS A 7 21.436 58.586 3.749 1.00 0.00 O ATOM 100 CB HIS A 7 18.999 58.335 5.780 1.00 0.00 C ATOM 101 CG HIS A 7 18.380 58.541 4.418 1.00 0.00 C ATOM 102 ND1 HIS A 7 17.845 57.532 3.606 1.00 0.00 N ATOM 103 CD2 HIS A 7 18.251 59.738 3.774 1.00 0.00 C ATOM 104 CE1 HIS A 7 17.412 58.148 2.492 1.00 0.00 C ATOM 105 NE2 HIS A 7 17.643 59.471 2.567 1.00 0.00 N ATOM 0 H HIS A 7 20.196 57.816 7.821 1.00 0.00 H new ATOM 0 HA HIS A 7 20.385 56.765 5.178 1.00 0.00 H new ATOM 0 HB2 HIS A 7 18.341 57.702 6.376 1.00 0.00 H new ATOM 0 HB3 HIS A 7 19.063 59.297 6.289 1.00 0.00 H new ATOM 0 HD2 HIS A 7 18.564 60.705 4.139 1.00 0.00 H new ATOM 0 HE1 HIS A 7 16.945 57.651 1.655 1.00 0.00 H new ATOM 0 HE2 HIS A 7 17.408 60.159 1.852 1.00 0.00 H new ATOM 113 N HIS A 8 22.209 59.381 5.703 1.00 0.00 N ATOM 114 CA HIS A 8 23.098 60.428 5.166 1.00 0.00 C ATOM 115 C HIS A 8 24.425 59.886 4.586 1.00 0.00 C ATOM 116 O HIS A 8 25.505 60.422 4.850 1.00 0.00 O ATOM 117 CB HIS A 8 23.292 61.520 6.233 1.00 0.00 C ATOM 118 CG HIS A 8 21.990 62.109 6.725 1.00 0.00 C ATOM 119 ND1 HIS A 8 21.055 62.794 5.939 1.00 0.00 N ATOM 120 CD2 HIS A 8 21.517 62.030 8.003 1.00 0.00 C ATOM 121 CE1 HIS A 8 20.042 63.111 6.766 1.00 0.00 C ATOM 122 NE2 HIS A 8 20.293 62.663 8.009 1.00 0.00 N ATOM 0 H HIS A 8 22.275 59.296 6.717 1.00 0.00 H new ATOM 0 HA HIS A 8 22.613 60.874 4.298 1.00 0.00 H new ATOM 0 HB2 HIS A 8 23.836 61.100 7.079 1.00 0.00 H new ATOM 0 HB3 HIS A 8 23.911 62.317 5.820 1.00 0.00 H new ATOM 0 HD2 HIS A 8 22.006 61.563 8.845 1.00 0.00 H new ATOM 0 HE1 HIS A 8 19.153 63.649 6.473 1.00 0.00 H new ATOM 0 HE2 HIS A 8 19.682 62.773 8.818 1.00 0.00 H new ATOM 130 N HIS A 9 24.352 58.805 3.805 1.00 0.00 N ATOM 131 CA HIS A 9 25.498 58.182 3.127 1.00 0.00 C ATOM 132 C HIS A 9 26.075 59.069 2.006 1.00 0.00 C ATOM 133 O HIS A 9 25.334 59.750 1.290 1.00 0.00 O ATOM 134 CB HIS A 9 25.085 56.805 2.585 1.00 0.00 C ATOM 135 CG HIS A 9 26.211 56.086 1.878 1.00 0.00 C ATOM 136 ND1 HIS A 9 27.428 55.717 2.460 1.00 0.00 N ATOM 137 CD2 HIS A 9 26.238 55.760 0.552 1.00 0.00 C ATOM 138 CE1 HIS A 9 28.158 55.170 1.471 1.00 0.00 C ATOM 139 NE2 HIS A 9 27.467 55.182 0.317 1.00 0.00 N ATOM 0 H HIS A 9 23.472 58.324 3.620 1.00 0.00 H new ATOM 0 HA HIS A 9 26.296 58.060 3.859 1.00 0.00 H new ATOM 0 HB2 HIS A 9 24.729 56.188 3.410 1.00 0.00 H new ATOM 0 HB3 HIS A 9 24.250 56.928 1.895 1.00 0.00 H new ATOM 0 HD2 HIS A 9 25.452 55.923 -0.170 1.00 0.00 H new ATOM 0 HE1 HIS A 9 29.157 54.777 1.587 1.00 0.00 H new ATOM 0 HE2 HIS A 9 27.796 54.824 -0.580 1.00 0.00 H new ATOM 147 N HIS A 10 27.402 59.040 1.838 1.00 0.00 N ATOM 148 CA HIS A 10 28.155 59.775 0.809 1.00 0.00 C ATOM 149 C HIS A 10 29.480 59.063 0.473 1.00 0.00 C ATOM 150 O HIS A 10 30.078 58.424 1.344 1.00 0.00 O ATOM 151 CB HIS A 10 28.419 61.203 1.313 1.00 0.00 C ATOM 152 CG HIS A 10 29.089 62.098 0.299 1.00 0.00 C ATOM 153 ND1 HIS A 10 30.453 62.406 0.258 1.00 0.00 N ATOM 154 CD2 HIS A 10 28.460 62.750 -0.720 1.00 0.00 C ATOM 155 CE1 HIS A 10 30.610 63.249 -0.777 1.00 0.00 C ATOM 156 NE2 HIS A 10 29.431 63.470 -1.383 1.00 0.00 N ATOM 0 H HIS A 10 28.008 58.481 2.439 1.00 0.00 H new ATOM 0 HA HIS A 10 27.566 59.812 -0.108 1.00 0.00 H new ATOM 0 HB2 HIS A 10 27.472 61.653 1.610 1.00 0.00 H new ATOM 0 HB3 HIS A 10 29.042 61.153 2.206 1.00 0.00 H new ATOM 0 HD2 HIS A 10 27.408 62.710 -0.961 1.00 0.00 H new ATOM 0 HE1 HIS A 10 31.550 63.687 -1.079 1.00 0.00 H new ATOM 0 HE2 HIS A 10 29.280 64.068 -2.195 1.00 0.00 H new ATOM 164 N GLY A 11 29.947 59.175 -0.778 1.00 0.00 N ATOM 165 CA GLY A 11 31.185 58.524 -1.247 1.00 0.00 C ATOM 166 C GLY A 11 31.955 59.240 -2.368 1.00 0.00 C ATOM 167 O GLY A 11 32.912 58.669 -2.898 1.00 0.00 O ATOM 0 H GLY A 11 29.477 59.722 -1.499 1.00 0.00 H new ATOM 0 HA2 GLY A 11 31.854 58.408 -0.394 1.00 0.00 H new ATOM 0 HA3 GLY A 11 30.933 57.521 -1.593 1.00 0.00 H new ATOM 171 N SER A 28 31.568 60.462 -2.753 1.00 0.00 N ATOM 172 CA SER A 28 32.216 61.216 -3.844 1.00 0.00 C ATOM 173 C SER A 28 33.534 61.872 -3.400 1.00 0.00 C ATOM 174 O SER A 28 33.636 62.391 -2.285 1.00 0.00 O ATOM 175 CB SER A 28 31.274 62.279 -4.426 1.00 0.00 C ATOM 176 OG SER A 28 30.046 61.689 -4.842 1.00 0.00 O ATOM 0 H SER A 28 30.793 60.962 -2.317 1.00 0.00 H new ATOM 0 HA SER A 28 32.450 60.488 -4.621 1.00 0.00 H new ATOM 0 HB2 SER A 28 31.079 63.048 -3.678 1.00 0.00 H new ATOM 0 HB3 SER A 28 31.752 62.771 -5.273 1.00 0.00 H new ATOM 0 HG SER A 28 29.458 62.382 -5.209 1.00 0.00 H new ATOM 182 N VAL A 29 34.540 61.875 -4.282 1.00 0.00 N ATOM 183 CA VAL A 29 35.881 62.446 -4.042 1.00 0.00 C ATOM 184 C VAL A 29 36.520 62.945 -5.350 1.00 0.00 C ATOM 185 O VAL A 29 36.211 62.438 -6.432 1.00 0.00 O ATOM 186 CB VAL A 29 36.771 61.415 -3.303 1.00 0.00 C ATOM 187 CG1 VAL A 29 37.104 60.174 -4.141 1.00 0.00 C ATOM 188 CG2 VAL A 29 38.077 62.021 -2.778 1.00 0.00 C ATOM 0 H VAL A 29 34.446 61.469 -5.213 1.00 0.00 H new ATOM 0 HA VAL A 29 35.783 63.320 -3.399 1.00 0.00 H new ATOM 0 HB VAL A 29 36.157 61.103 -2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 29 37.730 59.498 -3.558 1.00 0.00 H new ATOM 0 HG12 VAL A 29 36.181 59.665 -4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 29 37.638 60.476 -5.042 1.00 0.00 H new ATOM 0 HG21 VAL A 29 38.657 61.251 -2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 29 38.654 62.419 -3.612 1.00 0.00 H new ATOM 0 HG23 VAL A 29 37.850 62.825 -2.078 1.00 0.00 H new ATOM 198 N SER A 30 37.411 63.939 -5.259 1.00 0.00 N ATOM 199 CA SER A 30 38.175 64.494 -6.390 1.00 0.00 C ATOM 200 C SER A 30 39.628 64.811 -6.004 1.00 0.00 C ATOM 201 O SER A 30 39.919 65.161 -4.856 1.00 0.00 O ATOM 202 CB SER A 30 37.477 65.751 -6.923 1.00 0.00 C ATOM 203 OG SER A 30 38.152 66.255 -8.069 1.00 0.00 O ATOM 0 H SER A 30 37.629 64.395 -4.373 1.00 0.00 H new ATOM 0 HA SER A 30 38.208 63.736 -7.173 1.00 0.00 H new ATOM 0 HB2 SER A 30 36.443 65.518 -7.177 1.00 0.00 H new ATOM 0 HB3 SER A 30 37.450 66.515 -6.146 1.00 0.00 H new ATOM 0 HG SER A 30 37.690 67.056 -8.395 1.00 0.00 H new ATOM 209 N PHE A 31 40.536 64.707 -6.980 1.00 0.00 N ATOM 210 CA PHE A 31 41.962 65.050 -6.871 1.00 0.00 C ATOM 211 C PHE A 31 42.440 65.866 -8.097 1.00 0.00 C ATOM 212 O PHE A 31 43.597 65.784 -8.521 1.00 0.00 O ATOM 213 CB PHE A 31 42.763 63.758 -6.619 1.00 0.00 C ATOM 214 CG PHE A 31 44.164 63.965 -6.068 1.00 0.00 C ATOM 215 CD1 PHE A 31 44.338 64.442 -4.754 1.00 0.00 C ATOM 216 CD2 PHE A 31 45.295 63.662 -6.853 1.00 0.00 C ATOM 217 CE1 PHE A 31 45.631 64.626 -4.232 1.00 0.00 C ATOM 218 CE2 PHE A 31 46.589 63.846 -6.331 1.00 0.00 C ATOM 219 CZ PHE A 31 46.757 64.329 -5.021 1.00 0.00 C ATOM 0 H PHE A 31 40.288 64.367 -7.909 1.00 0.00 H new ATOM 0 HA PHE A 31 42.133 65.710 -6.020 1.00 0.00 H new ATOM 0 HB2 PHE A 31 42.204 63.133 -5.923 1.00 0.00 H new ATOM 0 HB3 PHE A 31 42.836 63.206 -7.556 1.00 0.00 H new ATOM 0 HD1 PHE A 31 43.475 64.667 -4.145 1.00 0.00 H new ATOM 0 HD2 PHE A 31 45.168 63.288 -7.858 1.00 0.00 H new ATOM 0 HE1 PHE A 31 45.759 64.995 -3.225 1.00 0.00 H new ATOM 0 HE2 PHE A 31 47.453 63.616 -6.937 1.00 0.00 H new ATOM 0 HZ PHE A 31 47.750 64.472 -4.621 1.00 0.00 H new ATOM 229 N GLY A 32 41.527 66.630 -8.712 1.00 0.00 N ATOM 230 CA GLY A 32 41.733 67.280 -10.013 1.00 0.00 C ATOM 231 C GLY A 32 41.659 66.294 -11.189 1.00 0.00 C ATOM 232 O GLY A 32 41.051 65.224 -11.081 1.00 0.00 O ATOM 0 H GLY A 32 40.608 66.817 -8.312 1.00 0.00 H new ATOM 0 HA2 GLY A 32 40.981 68.058 -10.149 1.00 0.00 H new ATOM 0 HA3 GLY A 32 42.705 67.772 -10.018 1.00 0.00 H new ATOM 236 N ALA A 33 42.279 66.656 -12.317 1.00 0.00 N ATOM 237 CA ALA A 33 42.296 65.867 -13.555 1.00 0.00 C ATOM 238 C ALA A 33 43.728 65.702 -14.136 1.00 0.00 C ATOM 239 O ALA A 33 44.010 66.198 -15.234 1.00 0.00 O ATOM 240 CB ALA A 33 41.294 66.504 -14.532 1.00 0.00 C ATOM 0 H ALA A 33 42.798 67.531 -12.397 1.00 0.00 H new ATOM 0 HA ALA A 33 41.983 64.842 -13.354 1.00 0.00 H new ATOM 0 HB1 ALA A 33 41.284 65.938 -15.464 1.00 0.00 H new ATOM 0 HB2 ALA A 33 40.298 66.493 -14.090 1.00 0.00 H new ATOM 0 HB3 ALA A 33 41.589 67.533 -14.736 1.00 0.00 H new ATOM 246 N PRO A 34 44.655 65.037 -13.411 1.00 0.00 N ATOM 247 CA PRO A 34 46.019 64.785 -13.885 1.00 0.00 C ATOM 248 C PRO A 34 46.059 63.807 -15.077 1.00 0.00 C ATOM 249 O PRO A 34 45.205 62.926 -15.217 1.00 0.00 O ATOM 250 CB PRO A 34 46.774 64.235 -12.671 1.00 0.00 C ATOM 251 CG PRO A 34 45.680 63.526 -11.874 1.00 0.00 C ATOM 252 CD PRO A 34 44.463 64.420 -12.103 1.00 0.00 C ATOM 0 HA PRO A 34 46.477 65.698 -14.266 1.00 0.00 H new ATOM 0 HB2 PRO A 34 47.567 63.548 -12.967 1.00 0.00 H new ATOM 0 HB3 PRO A 34 47.242 65.032 -12.093 1.00 0.00 H new ATOM 0 HG2 PRO A 34 45.510 62.511 -12.234 1.00 0.00 H new ATOM 0 HG3 PRO A 34 45.934 63.451 -10.817 1.00 0.00 H new ATOM 0 HD2 PRO A 34 43.542 63.838 -12.078 1.00 0.00 H new ATOM 0 HD3 PRO A 34 44.383 65.177 -11.323 1.00 0.00 H new ATOM 260 N SER A 35 47.083 63.947 -15.924 1.00 0.00 N ATOM 261 CA SER A 35 47.326 63.111 -17.116 1.00 0.00 C ATOM 262 C SER A 35 48.826 63.032 -17.471 1.00 0.00 C ATOM 263 O SER A 35 49.593 63.927 -17.092 1.00 0.00 O ATOM 264 CB SER A 35 46.520 63.651 -18.311 1.00 0.00 C ATOM 265 OG SER A 35 46.868 64.995 -18.623 1.00 0.00 O ATOM 0 H SER A 35 47.793 64.669 -15.799 1.00 0.00 H new ATOM 0 HA SER A 35 46.995 62.099 -16.884 1.00 0.00 H new ATOM 0 HB2 SER A 35 46.695 63.019 -19.182 1.00 0.00 H new ATOM 0 HB3 SER A 35 45.455 63.595 -18.085 1.00 0.00 H new ATOM 0 HG SER A 35 46.337 65.301 -19.387 1.00 0.00 H new ATOM 271 N PRO A 36 49.282 61.976 -18.180 1.00 0.00 N ATOM 272 CA PRO A 36 50.676 61.846 -18.611 1.00 0.00 C ATOM 273 C PRO A 36 51.006 62.783 -19.789 1.00 0.00 C ATOM 274 O PRO A 36 50.270 62.847 -20.780 1.00 0.00 O ATOM 275 CB PRO A 36 50.849 60.369 -18.978 1.00 0.00 C ATOM 276 CG PRO A 36 49.452 59.951 -19.436 1.00 0.00 C ATOM 277 CD PRO A 36 48.529 60.781 -18.545 1.00 0.00 C ATOM 0 HA PRO A 36 51.369 62.143 -17.824 1.00 0.00 H new ATOM 0 HB2 PRO A 36 51.588 60.235 -19.768 1.00 0.00 H new ATOM 0 HB3 PRO A 36 51.185 59.780 -18.125 1.00 0.00 H new ATOM 0 HG2 PRO A 36 49.293 60.167 -20.492 1.00 0.00 H new ATOM 0 HG3 PRO A 36 49.287 58.882 -19.301 1.00 0.00 H new ATOM 0 HD2 PRO A 36 47.612 61.045 -19.073 1.00 0.00 H new ATOM 0 HD3 PRO A 36 48.236 60.219 -17.658 1.00 0.00 H new ATOM 285 N LEU A 37 52.142 63.485 -19.694 1.00 0.00 N ATOM 286 CA LEU A 37 52.704 64.362 -20.735 1.00 0.00 C ATOM 287 C LEU A 37 54.126 63.913 -21.128 1.00 0.00 C ATOM 288 O LEU A 37 54.870 63.365 -20.307 1.00 0.00 O ATOM 289 CB LEU A 37 52.722 65.835 -20.262 1.00 0.00 C ATOM 290 CG LEU A 37 51.415 66.633 -20.449 1.00 0.00 C ATOM 291 CD1 LEU A 37 50.312 66.261 -19.460 1.00 0.00 C ATOM 292 CD2 LEU A 37 51.702 68.124 -20.260 1.00 0.00 C ATOM 0 H LEU A 37 52.721 63.458 -18.855 1.00 0.00 H new ATOM 0 HA LEU A 37 52.064 64.286 -21.614 1.00 0.00 H new ATOM 0 HB2 LEU A 37 52.983 65.851 -19.204 1.00 0.00 H new ATOM 0 HB3 LEU A 37 53.518 66.355 -20.794 1.00 0.00 H new ATOM 0 HG LEU A 37 51.063 66.393 -21.452 1.00 0.00 H new ATOM 0 HD11 LEU A 37 49.427 66.866 -19.657 1.00 0.00 H new ATOM 0 HD12 LEU A 37 50.063 65.206 -19.573 1.00 0.00 H new ATOM 0 HD13 LEU A 37 50.658 66.445 -18.443 1.00 0.00 H new ATOM 0 HD21 LEU A 37 50.781 68.691 -20.391 1.00 0.00 H new ATOM 0 HD22 LEU A 37 52.094 68.295 -19.257 1.00 0.00 H new ATOM 0 HD23 LEU A 37 52.437 68.449 -20.997 1.00 0.00 H new ATOM 304 N SER A 38 54.520 64.196 -22.373 1.00 0.00 N ATOM 305 CA SER A 38 55.884 64.006 -22.897 1.00 0.00 C ATOM 306 C SER A 38 56.242 65.066 -23.955 1.00 0.00 C ATOM 307 O SER A 38 55.368 65.560 -24.677 1.00 0.00 O ATOM 308 CB SER A 38 56.063 62.587 -23.460 1.00 0.00 C ATOM 309 OG SER A 38 55.142 62.308 -24.508 1.00 0.00 O ATOM 0 H SER A 38 53.880 64.577 -23.070 1.00 0.00 H new ATOM 0 HA SER A 38 56.574 64.133 -22.063 1.00 0.00 H new ATOM 0 HB2 SER A 38 57.081 62.470 -23.832 1.00 0.00 H new ATOM 0 HB3 SER A 38 55.931 61.860 -22.659 1.00 0.00 H new ATOM 0 HG SER A 38 55.290 61.398 -24.840 1.00 0.00 H new ATOM 315 N SER A 39 57.533 65.422 -24.036 1.00 0.00 N ATOM 316 CA SER A 39 58.031 66.565 -24.835 1.00 0.00 C ATOM 317 C SER A 39 59.299 66.263 -25.657 1.00 0.00 C ATOM 318 O SER A 39 59.912 67.179 -26.210 1.00 0.00 O ATOM 319 CB SER A 39 58.276 67.777 -23.918 1.00 0.00 C ATOM 320 OG SER A 39 57.109 68.118 -23.174 1.00 0.00 O ATOM 0 H SER A 39 58.274 64.922 -23.545 1.00 0.00 H new ATOM 0 HA SER A 39 57.250 66.783 -25.563 1.00 0.00 H new ATOM 0 HB2 SER A 39 59.093 67.555 -23.232 1.00 0.00 H new ATOM 0 HB3 SER A 39 58.587 68.631 -24.519 1.00 0.00 H new ATOM 0 HG SER A 39 57.300 68.890 -22.601 1.00 0.00 H new ATOM 326 N GLU A 40 59.722 64.996 -25.739 1.00 0.00 N ATOM 327 CA GLU A 40 60.963 64.566 -26.405 1.00 0.00 C ATOM 328 C GLU A 40 60.817 63.174 -27.052 1.00 0.00 C ATOM 329 O GLU A 40 60.209 62.268 -26.474 1.00 0.00 O ATOM 330 CB GLU A 40 62.107 64.583 -25.374 1.00 0.00 C ATOM 331 CG GLU A 40 63.485 64.282 -25.976 1.00 0.00 C ATOM 332 CD GLU A 40 64.586 64.457 -24.912 1.00 0.00 C ATOM 333 OE1 GLU A 40 64.834 63.510 -24.126 1.00 0.00 O ATOM 334 OE2 GLU A 40 65.204 65.549 -24.846 1.00 0.00 O ATOM 0 H GLU A 40 59.199 64.219 -25.334 1.00 0.00 H new ATOM 0 HA GLU A 40 61.188 65.259 -27.216 1.00 0.00 H new ATOM 0 HB2 GLU A 40 62.136 65.561 -24.893 1.00 0.00 H new ATOM 0 HB3 GLU A 40 61.893 63.851 -24.595 1.00 0.00 H new ATOM 0 HG2 GLU A 40 63.505 63.264 -26.365 1.00 0.00 H new ATOM 0 HG3 GLU A 40 63.675 64.948 -26.818 1.00 0.00 H new ATOM 341 N SER A 41 61.393 63.001 -28.248 1.00 0.00 N ATOM 342 CA SER A 41 61.475 61.723 -28.978 1.00 0.00 C ATOM 343 C SER A 41 62.681 61.704 -29.932 1.00 0.00 C ATOM 344 O SER A 41 63.114 62.757 -30.409 1.00 0.00 O ATOM 345 CB SER A 41 60.177 61.489 -29.765 1.00 0.00 C ATOM 346 OG SER A 41 60.142 60.169 -30.288 1.00 0.00 O ATOM 0 H SER A 41 61.831 63.771 -28.754 1.00 0.00 H new ATOM 0 HA SER A 41 61.608 60.922 -28.251 1.00 0.00 H new ATOM 0 HB2 SER A 41 59.317 61.652 -29.116 1.00 0.00 H new ATOM 0 HB3 SER A 41 60.103 62.211 -30.579 1.00 0.00 H new ATOM 0 HG SER A 41 59.308 60.036 -30.785 1.00 0.00 H new ATOM 352 N GLU A 42 63.220 60.512 -30.216 1.00 0.00 N ATOM 353 CA GLU A 42 64.345 60.279 -31.143 1.00 0.00 C ATOM 354 C GLU A 42 65.594 61.143 -30.845 1.00 0.00 C ATOM 355 O GLU A 42 66.257 61.661 -31.746 1.00 0.00 O ATOM 356 CB GLU A 42 63.840 60.342 -32.601 1.00 0.00 C ATOM 357 CG GLU A 42 64.702 59.519 -33.568 1.00 0.00 C ATOM 358 CD GLU A 42 64.143 59.605 -35.002 1.00 0.00 C ATOM 359 OE1 GLU A 42 63.294 58.761 -35.380 1.00 0.00 O ATOM 360 OE2 GLU A 42 64.549 60.514 -35.768 1.00 0.00 O ATOM 0 H GLU A 42 62.876 59.650 -29.794 1.00 0.00 H new ATOM 0 HA GLU A 42 64.721 59.269 -30.978 1.00 0.00 H new ATOM 0 HB2 GLU A 42 62.813 59.980 -32.640 1.00 0.00 H new ATOM 0 HB3 GLU A 42 63.825 61.381 -32.930 1.00 0.00 H new ATOM 0 HG2 GLU A 42 65.729 59.885 -33.550 1.00 0.00 H new ATOM 0 HG3 GLU A 42 64.729 58.479 -33.244 1.00 0.00 H new ATOM 367 N ASP A 43 65.929 61.302 -29.557 1.00 0.00 N ATOM 368 CA ASP A 43 67.086 62.078 -29.087 1.00 0.00 C ATOM 369 C ASP A 43 68.413 61.328 -29.340 1.00 0.00 C ATOM 370 O ASP A 43 68.935 60.625 -28.470 1.00 0.00 O ATOM 371 CB ASP A 43 66.882 62.455 -27.611 1.00 0.00 C ATOM 372 CG ASP A 43 68.047 63.309 -27.075 1.00 0.00 C ATOM 373 OD1 ASP A 43 68.417 64.312 -27.734 1.00 0.00 O ATOM 374 OD2 ASP A 43 68.584 63.000 -25.983 1.00 0.00 O ATOM 0 H ASP A 43 65.392 60.886 -28.796 1.00 0.00 H new ATOM 0 HA ASP A 43 67.159 63.002 -29.661 1.00 0.00 H new ATOM 0 HB2 ASP A 43 65.947 63.005 -27.502 1.00 0.00 H new ATOM 0 HB3 ASP A 43 66.790 61.548 -27.013 1.00 0.00 H new ATOM 379 N GLU A 44 68.929 61.444 -30.571 1.00 0.00 N ATOM 380 CA GLU A 44 70.079 60.685 -31.102 1.00 0.00 C ATOM 381 C GLU A 44 69.900 59.146 -31.024 1.00 0.00 C ATOM 382 O GLU A 44 70.870 58.396 -30.873 1.00 0.00 O ATOM 383 CB GLU A 44 71.416 61.191 -30.518 1.00 0.00 C ATOM 384 CG GLU A 44 71.650 62.690 -30.753 1.00 0.00 C ATOM 385 CD GLU A 44 73.062 63.101 -30.296 1.00 0.00 C ATOM 386 OE1 GLU A 44 73.250 63.443 -29.101 1.00 0.00 O ATOM 387 OE2 GLU A 44 74.002 63.098 -31.130 1.00 0.00 O ATOM 0 H GLU A 44 68.544 62.095 -31.255 1.00 0.00 H new ATOM 0 HA GLU A 44 70.118 60.889 -32.172 1.00 0.00 H new ATOM 0 HB2 GLU A 44 71.436 60.990 -29.447 1.00 0.00 H new ATOM 0 HB3 GLU A 44 72.236 60.628 -30.963 1.00 0.00 H new ATOM 0 HG2 GLU A 44 71.524 62.921 -31.811 1.00 0.00 H new ATOM 0 HG3 GLU A 44 70.904 63.269 -30.209 1.00 0.00 H new ATOM 394 N ILE A 45 68.651 58.665 -31.134 1.00 0.00 N ATOM 395 CA ILE A 45 68.311 57.232 -31.120 1.00 0.00 C ATOM 396 C ILE A 45 68.375 56.678 -32.553 1.00 0.00 C ATOM 397 O ILE A 45 67.477 56.920 -33.365 1.00 0.00 O ATOM 398 CB ILE A 45 66.936 56.975 -30.451 1.00 0.00 C ATOM 399 CG1 ILE A 45 66.865 57.602 -29.037 1.00 0.00 C ATOM 400 CG2 ILE A 45 66.670 55.457 -30.380 1.00 0.00 C ATOM 401 CD1 ILE A 45 65.510 57.449 -28.333 1.00 0.00 C ATOM 0 H ILE A 45 67.836 59.270 -31.237 1.00 0.00 H new ATOM 0 HA ILE A 45 69.043 56.700 -30.512 1.00 0.00 H new ATOM 0 HB ILE A 45 66.166 57.451 -31.059 1.00 0.00 H new ATOM 0 HG12 ILE A 45 67.636 57.148 -28.414 1.00 0.00 H new ATOM 0 HG13 ILE A 45 67.101 58.663 -29.113 1.00 0.00 H new ATOM 0 HG21 ILE A 45 65.703 55.279 -29.909 1.00 0.00 H new ATOM 0 HG22 ILE A 45 66.666 55.041 -31.387 1.00 0.00 H new ATOM 0 HG23 ILE A 45 67.453 54.977 -29.793 1.00 0.00 H new ATOM 0 HD11 ILE A 45 65.556 57.918 -27.350 1.00 0.00 H new ATOM 0 HD12 ILE A 45 64.734 57.930 -28.929 1.00 0.00 H new ATOM 0 HD13 ILE A 45 65.277 56.390 -28.219 1.00 0.00 H new ATOM 413 N ASN A 46 69.436 55.926 -32.863 1.00 0.00 N ATOM 414 CA ASN A 46 69.622 55.208 -34.130 1.00 0.00 C ATOM 415 C ASN A 46 70.524 53.965 -33.960 1.00 0.00 C ATOM 416 O ASN A 46 71.356 53.909 -33.050 1.00 0.00 O ATOM 417 CB ASN A 46 70.167 56.173 -35.207 1.00 0.00 C ATOM 418 CG ASN A 46 71.581 56.673 -34.934 1.00 0.00 C ATOM 419 OD1 ASN A 46 71.797 57.660 -34.245 1.00 0.00 O ATOM 420 ND2 ASN A 46 72.591 56.025 -35.475 1.00 0.00 N ATOM 0 H ASN A 46 70.215 55.795 -32.218 1.00 0.00 H new ATOM 0 HA ASN A 46 68.652 54.838 -34.461 1.00 0.00 H new ATOM 0 HB2 ASN A 46 70.151 55.669 -36.173 1.00 0.00 H new ATOM 0 HB3 ASN A 46 69.498 57.030 -35.284 1.00 0.00 H new ATOM 0 HD21 ASN A 46 73.546 56.347 -35.318 1.00 0.00 H new ATOM 0 HD22 ASN A 46 72.419 55.201 -36.051 1.00 0.00 H new ATOM 427 N TYR A 47 70.374 52.992 -34.866 1.00 0.00 N ATOM 428 CA TYR A 47 71.132 51.729 -34.898 1.00 0.00 C ATOM 429 C TYR A 47 71.557 51.366 -36.334 1.00 0.00 C ATOM 430 O TYR A 47 70.888 51.742 -37.302 1.00 0.00 O ATOM 431 CB TYR A 47 70.289 50.604 -34.271 1.00 0.00 C ATOM 432 CG TYR A 47 69.932 50.823 -32.809 1.00 0.00 C ATOM 433 CD1 TYR A 47 70.867 50.505 -31.804 1.00 0.00 C ATOM 434 CD2 TYR A 47 68.677 51.358 -32.455 1.00 0.00 C ATOM 435 CE1 TYR A 47 70.550 50.720 -30.448 1.00 0.00 C ATOM 436 CE2 TYR A 47 68.356 51.578 -31.100 1.00 0.00 C ATOM 437 CZ TYR A 47 69.294 51.259 -30.092 1.00 0.00 C ATOM 438 OH TYR A 47 68.997 51.460 -28.776 1.00 0.00 O ATOM 0 H TYR A 47 69.698 53.062 -35.626 1.00 0.00 H new ATOM 0 HA TYR A 47 72.044 51.856 -34.315 1.00 0.00 H new ATOM 0 HB2 TYR A 47 69.368 50.495 -34.844 1.00 0.00 H new ATOM 0 HB3 TYR A 47 70.835 49.665 -34.362 1.00 0.00 H new ATOM 0 HD1 TYR A 47 71.829 50.095 -32.074 1.00 0.00 H new ATOM 0 HD2 TYR A 47 67.959 51.600 -33.224 1.00 0.00 H new ATOM 0 HE1 TYR A 47 71.268 50.472 -29.680 1.00 0.00 H new ATOM 0 HE2 TYR A 47 67.394 51.990 -30.832 1.00 0.00 H new ATOM 0 HH TYR A 47 68.096 51.837 -28.698 1.00 0.00 H new ATOM 448 N MET A 48 72.668 50.634 -36.481 1.00 0.00 N ATOM 449 CA MET A 48 73.251 50.306 -37.796 1.00 0.00 C ATOM 450 C MET A 48 72.517 49.165 -38.525 1.00 0.00 C ATOM 451 O MET A 48 72.468 49.155 -39.757 1.00 0.00 O ATOM 452 CB MET A 48 74.740 49.956 -37.636 1.00 0.00 C ATOM 453 CG MET A 48 75.575 51.157 -37.170 1.00 0.00 C ATOM 454 SD MET A 48 77.343 50.816 -36.919 1.00 0.00 S ATOM 455 CE MET A 48 77.889 50.556 -38.630 1.00 0.00 C ATOM 0 H MET A 48 73.191 50.250 -35.694 1.00 0.00 H new ATOM 0 HA MET A 48 73.136 51.194 -38.417 1.00 0.00 H new ATOM 0 HB2 MET A 48 74.844 49.143 -36.917 1.00 0.00 H new ATOM 0 HB3 MET A 48 75.130 49.593 -38.587 1.00 0.00 H new ATOM 0 HG2 MET A 48 75.476 51.956 -37.905 1.00 0.00 H new ATOM 0 HG3 MET A 48 75.156 51.530 -36.235 1.00 0.00 H new ATOM 0 HE1 MET A 48 78.974 50.459 -38.655 1.00 0.00 H new ATOM 0 HE2 MET A 48 77.435 49.646 -39.023 1.00 0.00 H new ATOM 0 HE3 MET A 48 77.586 51.406 -39.242 1.00 0.00 H new ATOM 465 N THR A 49 71.946 48.213 -37.778 1.00 0.00 N ATOM 466 CA THR A 49 71.281 46.998 -38.295 1.00 0.00 C ATOM 467 C THR A 49 70.062 46.593 -37.444 1.00 0.00 C ATOM 468 O THR A 49 70.021 46.900 -36.245 1.00 0.00 O ATOM 469 CB THR A 49 72.255 45.799 -38.352 1.00 0.00 C ATOM 470 OG1 THR A 49 72.935 45.631 -37.120 1.00 0.00 O ATOM 471 CG2 THR A 49 73.314 45.952 -39.447 1.00 0.00 C ATOM 0 H THR A 49 71.931 48.264 -36.759 1.00 0.00 H new ATOM 0 HA THR A 49 70.945 47.250 -39.301 1.00 0.00 H new ATOM 0 HB THR A 49 71.634 44.931 -38.571 1.00 0.00 H new ATOM 0 HG1 THR A 49 73.543 44.865 -37.184 1.00 0.00 H new ATOM 0 HG21 THR A 49 73.971 45.082 -39.442 1.00 0.00 H new ATOM 0 HG22 THR A 49 72.825 46.032 -40.418 1.00 0.00 H new ATOM 0 HG23 THR A 49 73.901 46.851 -39.262 1.00 0.00 H new ATOM 479 N PRO A 50 69.063 45.894 -38.026 1.00 0.00 N ATOM 480 CA PRO A 50 67.951 45.305 -37.274 1.00 0.00 C ATOM 481 C PRO A 50 68.401 44.091 -36.423 1.00 0.00 C ATOM 482 O PRO A 50 69.433 43.476 -36.724 1.00 0.00 O ATOM 483 CB PRO A 50 66.922 44.902 -38.338 1.00 0.00 C ATOM 484 CG PRO A 50 67.789 44.568 -39.550 1.00 0.00 C ATOM 485 CD PRO A 50 68.926 45.583 -39.446 1.00 0.00 C ATOM 0 HA PRO A 50 67.537 46.011 -36.554 1.00 0.00 H new ATOM 0 HB2 PRO A 50 66.327 44.046 -38.020 1.00 0.00 H new ATOM 0 HB3 PRO A 50 66.225 45.712 -38.552 1.00 0.00 H new ATOM 0 HG2 PRO A 50 68.158 43.543 -39.513 1.00 0.00 H new ATOM 0 HG3 PRO A 50 67.237 44.674 -40.484 1.00 0.00 H new ATOM 0 HD2 PRO A 50 69.853 45.172 -39.846 1.00 0.00 H new ATOM 0 HD3 PRO A 50 68.701 46.481 -40.022 1.00 0.00 H new ATOM 493 N PRO A 51 67.640 43.710 -35.377 1.00 0.00 N ATOM 494 CA PRO A 51 67.942 42.544 -34.546 1.00 0.00 C ATOM 495 C PRO A 51 67.798 41.218 -35.314 1.00 0.00 C ATOM 496 O PRO A 51 66.932 41.064 -36.181 1.00 0.00 O ATOM 497 CB PRO A 51 66.972 42.622 -33.361 1.00 0.00 C ATOM 498 CG PRO A 51 65.768 43.360 -33.945 1.00 0.00 C ATOM 499 CD PRO A 51 66.412 44.348 -34.916 1.00 0.00 C ATOM 0 HA PRO A 51 68.981 42.559 -34.218 1.00 0.00 H new ATOM 0 HB2 PRO A 51 66.700 41.631 -32.997 1.00 0.00 H new ATOM 0 HB3 PRO A 51 67.406 43.162 -32.520 1.00 0.00 H new ATOM 0 HG2 PRO A 51 65.085 42.680 -34.454 1.00 0.00 H new ATOM 0 HG3 PRO A 51 65.193 43.870 -33.172 1.00 0.00 H new ATOM 0 HD2 PRO A 51 65.747 44.565 -35.752 1.00 0.00 H new ATOM 0 HD3 PRO A 51 66.625 45.297 -34.424 1.00 0.00 H new ATOM 507 N GLU A 52 68.631 40.237 -34.962 1.00 0.00 N ATOM 508 CA GLU A 52 68.639 38.881 -35.537 1.00 0.00 C ATOM 509 C GLU A 52 67.805 37.860 -34.734 1.00 0.00 C ATOM 510 O GLU A 52 67.486 36.783 -35.244 1.00 0.00 O ATOM 511 CB GLU A 52 70.089 38.400 -35.751 1.00 0.00 C ATOM 512 CG GLU A 52 70.935 38.209 -34.479 1.00 0.00 C ATOM 513 CD GLU A 52 71.479 39.540 -33.921 1.00 0.00 C ATOM 514 OE1 GLU A 52 70.770 40.199 -33.121 1.00 0.00 O ATOM 515 OE2 GLU A 52 72.616 39.933 -34.279 1.00 0.00 O ATOM 0 H GLU A 52 69.345 40.364 -34.245 1.00 0.00 H new ATOM 0 HA GLU A 52 68.144 38.947 -36.506 1.00 0.00 H new ATOM 0 HB2 GLU A 52 70.060 37.452 -36.289 1.00 0.00 H new ATOM 0 HB3 GLU A 52 70.597 39.117 -36.396 1.00 0.00 H new ATOM 0 HG2 GLU A 52 70.330 37.720 -33.715 1.00 0.00 H new ATOM 0 HG3 GLU A 52 71.770 37.544 -34.699 1.00 0.00 H new ATOM 522 N GLN A 53 67.433 38.199 -33.493 1.00 0.00 N ATOM 523 CA GLN A 53 66.586 37.402 -32.595 1.00 0.00 C ATOM 524 C GLN A 53 65.525 38.295 -31.929 1.00 0.00 C ATOM 525 O GLN A 53 65.852 39.335 -31.353 1.00 0.00 O ATOM 526 CB GLN A 53 67.452 36.705 -31.528 1.00 0.00 C ATOM 527 CG GLN A 53 68.312 35.563 -32.099 1.00 0.00 C ATOM 528 CD GLN A 53 69.217 34.900 -31.059 1.00 0.00 C ATOM 529 OE1 GLN A 53 69.394 35.363 -29.936 1.00 0.00 O ATOM 530 NE2 GLN A 53 69.850 33.796 -31.392 1.00 0.00 N ATOM 0 H GLN A 53 67.728 39.078 -33.067 1.00 0.00 H new ATOM 0 HA GLN A 53 66.075 36.638 -33.181 1.00 0.00 H new ATOM 0 HB2 GLN A 53 68.103 37.442 -31.059 1.00 0.00 H new ATOM 0 HB3 GLN A 53 66.805 36.308 -30.746 1.00 0.00 H new ATOM 0 HG2 GLN A 53 67.657 34.808 -32.533 1.00 0.00 H new ATOM 0 HG3 GLN A 53 68.928 35.953 -32.909 1.00 0.00 H new ATOM 0 HE21 GLN A 53 69.719 33.393 -32.320 1.00 0.00 H new ATOM 0 HE22 GLN A 53 70.472 33.343 -30.723 1.00 0.00 H new ATOM 539 N GLU A 54 64.255 37.881 -31.997 1.00 0.00 N ATOM 540 CA GLU A 54 63.093 38.649 -31.503 1.00 0.00 C ATOM 541 C GLU A 54 62.121 37.806 -30.641 1.00 0.00 C ATOM 542 O GLU A 54 61.016 38.256 -30.324 1.00 0.00 O ATOM 543 CB GLU A 54 62.363 39.301 -32.696 1.00 0.00 C ATOM 544 CG GLU A 54 63.234 40.282 -33.494 1.00 0.00 C ATOM 545 CD GLU A 54 62.400 40.977 -34.588 1.00 0.00 C ATOM 546 OE1 GLU A 54 62.263 40.418 -35.705 1.00 0.00 O ATOM 547 OE2 GLU A 54 61.867 42.087 -34.341 1.00 0.00 O ATOM 0 H GLU A 54 63.994 36.983 -32.405 1.00 0.00 H new ATOM 0 HA GLU A 54 63.473 39.424 -30.837 1.00 0.00 H new ATOM 0 HB2 GLU A 54 62.008 38.517 -33.365 1.00 0.00 H new ATOM 0 HB3 GLU A 54 61.483 39.828 -32.328 1.00 0.00 H new ATOM 0 HG2 GLU A 54 63.659 41.029 -32.823 1.00 0.00 H new ATOM 0 HG3 GLU A 54 64.069 39.749 -33.949 1.00 0.00 H new ATOM 554 N ALA A 55 62.513 36.580 -30.265 1.00 0.00 N ATOM 555 CA ALA A 55 61.656 35.578 -29.617 1.00 0.00 C ATOM 556 C ALA A 55 62.361 34.908 -28.416 1.00 0.00 C ATOM 557 O ALA A 55 62.760 33.740 -28.468 1.00 0.00 O ATOM 558 CB ALA A 55 61.186 34.587 -30.695 1.00 0.00 C ATOM 0 H ALA A 55 63.467 36.248 -30.409 1.00 0.00 H new ATOM 0 HA ALA A 55 60.777 36.052 -29.180 1.00 0.00 H new ATOM 0 HB1 ALA A 55 60.547 33.831 -30.240 1.00 0.00 H new ATOM 0 HB2 ALA A 55 60.626 35.122 -31.462 1.00 0.00 H new ATOM 0 HB3 ALA A 55 62.052 34.105 -31.148 1.00 0.00 H new ATOM 564 N GLN A 56 62.515 35.665 -27.323 1.00 0.00 N ATOM 565 CA GLN A 56 63.014 35.182 -26.024 1.00 0.00 C ATOM 566 C GLN A 56 62.295 35.946 -24.886 1.00 0.00 C ATOM 567 O GLN A 56 62.900 36.783 -24.209 1.00 0.00 O ATOM 568 CB GLN A 56 64.556 35.284 -25.981 1.00 0.00 C ATOM 569 CG GLN A 56 65.139 34.498 -24.790 1.00 0.00 C ATOM 570 CD GLN A 56 66.668 34.481 -24.720 1.00 0.00 C ATOM 571 OE1 GLN A 56 67.389 35.124 -25.473 1.00 0.00 O ATOM 572 NE2 GLN A 56 67.230 33.731 -23.795 1.00 0.00 N ATOM 0 H GLN A 56 62.290 36.660 -27.315 1.00 0.00 H new ATOM 0 HA GLN A 56 62.783 34.126 -25.883 1.00 0.00 H new ATOM 0 HB2 GLN A 56 64.974 34.900 -26.912 1.00 0.00 H new ATOM 0 HB3 GLN A 56 64.851 36.331 -25.907 1.00 0.00 H new ATOM 0 HG2 GLN A 56 64.752 34.926 -23.865 1.00 0.00 H new ATOM 0 HG3 GLN A 56 64.780 33.470 -24.840 1.00 0.00 H new ATOM 0 HE21 GLN A 56 66.649 33.187 -23.157 1.00 0.00 H new ATOM 0 HE22 GLN A 56 68.246 33.694 -23.716 1.00 0.00 H new ATOM 581 N PRO A 57 60.973 35.736 -24.725 1.00 0.00 N ATOM 582 CA PRO A 57 60.126 36.574 -23.878 1.00 0.00 C ATOM 583 C PRO A 57 60.375 36.350 -22.376 1.00 0.00 C ATOM 584 O PRO A 57 60.823 35.283 -21.948 1.00 0.00 O ATOM 585 CB PRO A 57 58.698 36.241 -24.314 1.00 0.00 C ATOM 586 CG PRO A 57 58.794 34.770 -24.711 1.00 0.00 C ATOM 587 CD PRO A 57 60.165 34.711 -25.381 1.00 0.00 C ATOM 0 HA PRO A 57 60.344 37.635 -24.004 1.00 0.00 H new ATOM 0 HB2 PRO A 57 57.983 36.395 -23.506 1.00 0.00 H new ATOM 0 HB3 PRO A 57 58.375 36.864 -25.148 1.00 0.00 H new ATOM 0 HG2 PRO A 57 58.734 34.109 -23.846 1.00 0.00 H new ATOM 0 HG3 PRO A 57 57.994 34.478 -25.392 1.00 0.00 H new ATOM 0 HD2 PRO A 57 60.615 33.725 -25.265 1.00 0.00 H new ATOM 0 HD3 PRO A 57 60.086 34.901 -26.451 1.00 0.00 H new ATOM 595 N GLY A 58 60.111 37.380 -21.565 1.00 0.00 N ATOM 596 CA GLY A 58 60.355 37.412 -20.113 1.00 0.00 C ATOM 597 C GLY A 58 61.834 37.585 -19.723 1.00 0.00 C ATOM 598 O GLY A 58 62.149 38.426 -18.881 1.00 0.00 O ATOM 0 H GLY A 58 59.706 38.249 -21.912 1.00 0.00 H new ATOM 0 HA2 GLY A 58 59.779 38.228 -19.677 1.00 0.00 H new ATOM 0 HA3 GLY A 58 59.981 36.487 -19.673 1.00 0.00 H new ATOM 602 N ALA A 59 62.733 36.827 -20.365 1.00 0.00 N ATOM 603 CA ALA A 59 64.189 36.823 -20.169 1.00 0.00 C ATOM 604 C ALA A 59 64.633 36.631 -18.705 1.00 0.00 C ATOM 605 O ALA A 59 65.150 37.536 -18.043 1.00 0.00 O ATOM 606 CB ALA A 59 64.802 38.047 -20.839 1.00 0.00 C ATOM 0 H ALA A 59 62.445 36.159 -21.080 1.00 0.00 H new ATOM 0 HA ALA A 59 64.582 35.933 -20.661 1.00 0.00 H new ATOM 0 HB1 ALA A 59 65.882 38.040 -20.691 1.00 0.00 H new ATOM 0 HB2 ALA A 59 64.582 38.026 -21.906 1.00 0.00 H new ATOM 0 HB3 ALA A 59 64.381 38.951 -20.399 1.00 0.00 H new ATOM 612 N LEU A 60 64.440 35.402 -18.228 1.00 0.00 N ATOM 613 CA LEU A 60 64.837 34.919 -16.896 1.00 0.00 C ATOM 614 C LEU A 60 66.136 34.090 -16.958 1.00 0.00 C ATOM 615 O LEU A 60 66.426 33.443 -17.966 1.00 0.00 O ATOM 616 CB LEU A 60 63.691 34.099 -16.261 1.00 0.00 C ATOM 617 CG LEU A 60 62.461 34.857 -15.722 1.00 0.00 C ATOM 618 CD1 LEU A 60 62.830 35.877 -14.643 1.00 0.00 C ATOM 619 CD2 LEU A 60 61.637 35.562 -16.796 1.00 0.00 C ATOM 0 H LEU A 60 63.982 34.678 -18.782 1.00 0.00 H new ATOM 0 HA LEU A 60 65.035 35.788 -16.268 1.00 0.00 H new ATOM 0 HB2 LEU A 60 63.341 33.385 -17.006 1.00 0.00 H new ATOM 0 HB3 LEU A 60 64.112 33.521 -15.438 1.00 0.00 H new ATOM 0 HG LEU A 60 61.844 34.069 -15.291 1.00 0.00 H new ATOM 0 HD11 LEU A 60 61.929 36.383 -14.297 1.00 0.00 H new ATOM 0 HD12 LEU A 60 63.303 35.365 -13.805 1.00 0.00 H new ATOM 0 HD13 LEU A 60 63.522 36.611 -15.057 1.00 0.00 H new ATOM 0 HD21 LEU A 60 60.792 36.070 -16.331 1.00 0.00 H new ATOM 0 HD22 LEU A 60 62.260 36.292 -17.312 1.00 0.00 H new ATOM 0 HD23 LEU A 60 61.270 34.828 -17.513 1.00 0.00 H new ATOM 631 N ALA A 61 66.899 34.094 -15.861 1.00 0.00 N ATOM 632 CA ALA A 61 68.133 33.331 -15.679 1.00 0.00 C ATOM 633 C ALA A 61 68.207 32.654 -14.297 1.00 0.00 C ATOM 634 O ALA A 61 67.756 33.216 -13.294 1.00 0.00 O ATOM 635 CB ALA A 61 69.330 34.267 -15.884 1.00 0.00 C ATOM 0 H ALA A 61 66.662 34.654 -15.042 1.00 0.00 H new ATOM 0 HA ALA A 61 68.151 32.530 -16.418 1.00 0.00 H new ATOM 0 HB1 ALA A 61 70.256 33.708 -15.750 1.00 0.00 H new ATOM 0 HB2 ALA A 61 69.299 34.682 -16.891 1.00 0.00 H new ATOM 0 HB3 ALA A 61 69.287 35.077 -15.156 1.00 0.00 H new ATOM 641 N ALA A 62 68.827 31.475 -14.240 1.00 0.00 N ATOM 642 CA ALA A 62 69.222 30.800 -13.005 1.00 0.00 C ATOM 643 C ALA A 62 70.623 31.249 -12.536 1.00 0.00 C ATOM 644 O ALA A 62 71.432 31.758 -13.318 1.00 0.00 O ATOM 645 CB ALA A 62 69.130 29.283 -13.213 1.00 0.00 C ATOM 0 H ALA A 62 69.075 30.948 -15.077 1.00 0.00 H new ATOM 0 HA ALA A 62 68.538 31.080 -12.203 1.00 0.00 H new ATOM 0 HB1 ALA A 62 69.423 28.772 -12.296 1.00 0.00 H new ATOM 0 HB2 ALA A 62 68.105 29.012 -13.468 1.00 0.00 H new ATOM 0 HB3 ALA A 62 69.796 28.986 -14.023 1.00 0.00 H new ATOM 651 N LEU A 63 70.904 31.057 -11.243 1.00 0.00 N ATOM 652 CA LEU A 63 72.153 31.449 -10.578 1.00 0.00 C ATOM 653 C LEU A 63 72.679 30.341 -9.652 1.00 0.00 C ATOM 654 O LEU A 63 71.909 29.528 -9.134 1.00 0.00 O ATOM 655 CB LEU A 63 71.924 32.732 -9.752 1.00 0.00 C ATOM 656 CG LEU A 63 71.569 33.996 -10.554 1.00 0.00 C ATOM 657 CD1 LEU A 63 71.284 35.146 -9.588 1.00 0.00 C ATOM 658 CD2 LEU A 63 72.716 34.428 -11.463 1.00 0.00 C ATOM 0 H LEU A 63 70.245 30.608 -10.607 1.00 0.00 H new ATOM 0 HA LEU A 63 72.897 31.626 -11.354 1.00 0.00 H new ATOM 0 HB2 LEU A 63 71.123 32.542 -9.038 1.00 0.00 H new ATOM 0 HB3 LEU A 63 72.826 32.934 -9.174 1.00 0.00 H new ATOM 0 HG LEU A 63 70.697 33.762 -11.165 1.00 0.00 H new ATOM 0 HD11 LEU A 63 71.032 36.043 -10.154 1.00 0.00 H new ATOM 0 HD12 LEU A 63 70.449 34.879 -8.941 1.00 0.00 H new ATOM 0 HD13 LEU A 63 72.168 35.337 -8.979 1.00 0.00 H new ATOM 0 HD21 LEU A 63 72.427 35.324 -12.013 1.00 0.00 H new ATOM 0 HD22 LEU A 63 73.598 34.641 -10.859 1.00 0.00 H new ATOM 0 HD23 LEU A 63 72.943 33.628 -12.167 1.00 0.00 H new ATOM 670 N HIS A 64 73.985 30.369 -9.378 1.00 0.00 N ATOM 671 CA HIS A 64 74.592 29.650 -8.255 1.00 0.00 C ATOM 672 C HIS A 64 74.426 30.475 -6.969 1.00 0.00 C ATOM 673 O HIS A 64 74.568 31.698 -6.999 1.00 0.00 O ATOM 674 CB HIS A 64 76.068 29.385 -8.572 1.00 0.00 C ATOM 675 CG HIS A 64 76.297 28.334 -9.629 1.00 0.00 C ATOM 676 ND1 HIS A 64 76.143 26.955 -9.458 1.00 0.00 N ATOM 677 CD2 HIS A 64 76.739 28.579 -10.897 1.00 0.00 C ATOM 678 CE1 HIS A 64 76.503 26.403 -10.630 1.00 0.00 C ATOM 679 NE2 HIS A 64 76.868 27.351 -11.509 1.00 0.00 N ATOM 0 H HIS A 64 74.658 30.896 -9.935 1.00 0.00 H new ATOM 0 HA HIS A 64 74.097 28.691 -8.102 1.00 0.00 H new ATOM 0 HB2 HIS A 64 76.531 30.317 -8.897 1.00 0.00 H new ATOM 0 HB3 HIS A 64 76.575 29.079 -7.657 1.00 0.00 H new ATOM 0 HD2 HIS A 64 76.947 29.544 -11.334 1.00 0.00 H new ATOM 0 HE1 HIS A 64 76.499 25.343 -10.836 1.00 0.00 H new ATOM 0 HE2 HIS A 64 77.186 27.190 -12.465 1.00 0.00 H new ATOM 687 N ALA A 65 74.128 29.822 -5.842 1.00 0.00 N ATOM 688 CA ALA A 65 73.804 30.498 -4.577 1.00 0.00 C ATOM 689 C ALA A 65 74.962 30.539 -3.557 1.00 0.00 C ATOM 690 O ALA A 65 74.939 31.353 -2.632 1.00 0.00 O ATOM 691 CB ALA A 65 72.562 29.814 -3.990 1.00 0.00 C ATOM 0 H ALA A 65 74.104 28.804 -5.779 1.00 0.00 H new ATOM 0 HA ALA A 65 73.611 31.548 -4.796 1.00 0.00 H new ATOM 0 HB1 ALA A 65 72.294 30.293 -3.048 1.00 0.00 H new ATOM 0 HB2 ALA A 65 71.732 29.903 -4.691 1.00 0.00 H new ATOM 0 HB3 ALA A 65 72.776 28.760 -3.813 1.00 0.00 H new ATOM 697 N GLU A 66 75.970 29.670 -3.709 1.00 0.00 N ATOM 698 CA GLU A 66 77.077 29.473 -2.755 1.00 0.00 C ATOM 699 C GLU A 66 78.430 29.270 -3.468 1.00 0.00 C ATOM 700 O GLU A 66 78.486 28.980 -4.668 1.00 0.00 O ATOM 701 CB GLU A 66 76.776 28.269 -1.841 1.00 0.00 C ATOM 702 CG GLU A 66 75.561 28.481 -0.927 1.00 0.00 C ATOM 703 CD GLU A 66 75.405 27.308 0.061 1.00 0.00 C ATOM 704 OE1 GLU A 66 74.714 26.313 -0.268 1.00 0.00 O ATOM 705 OE2 GLU A 66 75.967 27.374 1.183 1.00 0.00 O ATOM 0 H GLU A 66 76.043 29.063 -4.526 1.00 0.00 H new ATOM 0 HA GLU A 66 77.157 30.379 -2.155 1.00 0.00 H new ATOM 0 HB2 GLU A 66 76.606 27.388 -2.459 1.00 0.00 H new ATOM 0 HB3 GLU A 66 77.652 28.063 -1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 66 75.674 29.414 -0.375 1.00 0.00 H new ATOM 0 HG3 GLU A 66 74.659 28.576 -1.531 1.00 0.00 H new ATOM 712 N GLY A 67 79.534 29.409 -2.722 1.00 0.00 N ATOM 713 CA GLY A 67 80.901 29.236 -3.233 1.00 0.00 C ATOM 714 C GLY A 67 81.376 30.379 -4.152 1.00 0.00 C ATOM 715 O GLY A 67 80.790 31.467 -4.142 1.00 0.00 O ATOM 0 H GLY A 67 79.502 29.649 -1.731 1.00 0.00 H new ATOM 0 HA2 GLY A 67 81.586 29.154 -2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 67 80.957 28.296 -3.781 1.00 0.00 H new ATOM 719 N PRO A 68 82.428 30.160 -4.968 1.00 0.00 N ATOM 720 CA PRO A 68 83.032 31.206 -5.805 1.00 0.00 C ATOM 721 C PRO A 68 82.120 31.696 -6.947 1.00 0.00 C ATOM 722 O PRO A 68 82.352 32.776 -7.494 1.00 0.00 O ATOM 723 CB PRO A 68 84.332 30.589 -6.334 1.00 0.00 C ATOM 724 CG PRO A 68 84.038 29.091 -6.354 1.00 0.00 C ATOM 725 CD PRO A 68 83.161 28.908 -5.119 1.00 0.00 C ATOM 0 HA PRO A 68 83.207 32.109 -5.220 1.00 0.00 H new ATOM 0 HB2 PRO A 68 84.577 30.962 -7.328 1.00 0.00 H new ATOM 0 HB3 PRO A 68 85.178 30.823 -5.688 1.00 0.00 H new ATOM 0 HG2 PRO A 68 83.522 28.791 -7.266 1.00 0.00 H new ATOM 0 HG3 PRO A 68 84.951 28.498 -6.295 1.00 0.00 H new ATOM 0 HD2 PRO A 68 82.479 28.067 -5.244 1.00 0.00 H new ATOM 0 HD3 PRO A 68 83.766 28.699 -4.237 1.00 0.00 H new ATOM 733 N LEU A 69 81.069 30.937 -7.290 1.00 0.00 N ATOM 734 CA LEU A 69 80.057 31.308 -8.287 1.00 0.00 C ATOM 735 C LEU A 69 78.798 31.963 -7.683 1.00 0.00 C ATOM 736 O LEU A 69 77.848 32.203 -8.419 1.00 0.00 O ATOM 737 CB LEU A 69 79.714 30.089 -9.169 1.00 0.00 C ATOM 738 CG LEU A 69 80.847 29.638 -10.110 1.00 0.00 C ATOM 739 CD1 LEU A 69 80.472 28.302 -10.743 1.00 0.00 C ATOM 740 CD2 LEU A 69 81.133 30.643 -11.226 1.00 0.00 C ATOM 0 H LEU A 69 80.896 30.024 -6.870 1.00 0.00 H new ATOM 0 HA LEU A 69 80.496 32.084 -8.914 1.00 0.00 H new ATOM 0 HB2 LEU A 69 79.443 29.254 -8.522 1.00 0.00 H new ATOM 0 HB3 LEU A 69 78.835 30.327 -9.768 1.00 0.00 H new ATOM 0 HG LEU A 69 81.749 29.554 -9.504 1.00 0.00 H new ATOM 0 HD11 LEU A 69 81.271 27.978 -11.410 1.00 0.00 H new ATOM 0 HD12 LEU A 69 80.328 27.557 -9.961 1.00 0.00 H new ATOM 0 HD13 LEU A 69 79.549 28.415 -11.311 1.00 0.00 H new ATOM 0 HD21 LEU A 69 81.941 30.268 -11.855 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.236 30.781 -11.830 1.00 0.00 H new ATOM 0 HD23 LEU A 69 81.426 31.598 -10.789 1.00 0.00 H new ATOM 752 N ALA A 70 78.739 32.277 -6.385 1.00 0.00 N ATOM 753 CA ALA A 70 77.541 32.873 -5.786 1.00 0.00 C ATOM 754 C ALA A 70 77.151 34.204 -6.471 1.00 0.00 C ATOM 755 O ALA A 70 77.877 35.200 -6.393 1.00 0.00 O ATOM 756 CB ALA A 70 77.766 33.047 -4.279 1.00 0.00 C ATOM 0 H ALA A 70 79.506 32.128 -5.730 1.00 0.00 H new ATOM 0 HA ALA A 70 76.697 32.201 -5.942 1.00 0.00 H new ATOM 0 HB1 ALA A 70 76.878 33.490 -3.827 1.00 0.00 H new ATOM 0 HB2 ALA A 70 77.957 32.075 -3.825 1.00 0.00 H new ATOM 0 HB3 ALA A 70 78.622 33.700 -4.112 1.00 0.00 H new ATOM 762 N GLY A 71 75.998 34.208 -7.150 1.00 0.00 N ATOM 763 CA GLY A 71 75.502 35.316 -7.982 1.00 0.00 C ATOM 764 C GLY A 71 75.893 35.259 -9.473 1.00 0.00 C ATOM 765 O GLY A 71 75.632 36.220 -10.198 1.00 0.00 O ATOM 0 H GLY A 71 75.360 33.412 -7.136 1.00 0.00 H new ATOM 0 HA2 GLY A 71 74.415 35.341 -7.911 1.00 0.00 H new ATOM 0 HA3 GLY A 71 75.870 36.253 -7.564 1.00 0.00 H new ATOM 769 N LEU A 72 76.504 34.161 -9.942 1.00 0.00 N ATOM 770 CA LEU A 72 76.939 33.922 -11.325 1.00 0.00 C ATOM 771 C LEU A 72 76.053 32.858 -12.036 1.00 0.00 C ATOM 772 O LEU A 72 75.407 32.052 -11.358 1.00 0.00 O ATOM 773 CB LEU A 72 78.458 33.595 -11.325 1.00 0.00 C ATOM 774 CG LEU A 72 79.337 34.818 -10.967 1.00 0.00 C ATOM 775 CD1 LEU A 72 79.596 35.028 -9.473 1.00 0.00 C ATOM 776 CD2 LEU A 72 80.717 34.714 -11.622 1.00 0.00 C ATOM 0 H LEU A 72 76.720 33.372 -9.332 1.00 0.00 H new ATOM 0 HA LEU A 72 76.801 34.823 -11.922 1.00 0.00 H new ATOM 0 HB2 LEU A 72 78.652 32.793 -10.612 1.00 0.00 H new ATOM 0 HB3 LEU A 72 78.745 33.223 -12.309 1.00 0.00 H new ATOM 0 HG LEU A 72 78.750 35.659 -11.337 1.00 0.00 H new ATOM 0 HD11 LEU A 72 80.221 35.910 -9.333 1.00 0.00 H new ATOM 0 HD12 LEU A 72 78.647 35.170 -8.956 1.00 0.00 H new ATOM 0 HD13 LEU A 72 80.105 34.154 -9.066 1.00 0.00 H new ATOM 0 HD21 LEU A 72 81.314 35.586 -11.354 1.00 0.00 H new ATOM 0 HD22 LEU A 72 81.218 33.811 -11.274 1.00 0.00 H new ATOM 0 HD23 LEU A 72 80.603 34.671 -12.705 1.00 0.00 H new ATOM 788 N PRO A 73 75.971 32.867 -13.387 1.00 0.00 N ATOM 789 CA PRO A 73 75.063 32.027 -14.189 1.00 0.00 C ATOM 790 C PRO A 73 75.347 30.525 -14.093 1.00 0.00 C ATOM 791 O PRO A 73 76.452 30.117 -13.745 1.00 0.00 O ATOM 792 CB PRO A 73 75.241 32.490 -15.642 1.00 0.00 C ATOM 793 CG PRO A 73 76.610 33.159 -15.666 1.00 0.00 C ATOM 794 CD PRO A 73 76.732 33.743 -14.268 1.00 0.00 C ATOM 0 HA PRO A 73 74.047 32.148 -13.813 1.00 0.00 H new ATOM 0 HB2 PRO A 73 75.198 31.649 -16.334 1.00 0.00 H new ATOM 0 HB3 PRO A 73 74.455 33.185 -15.936 1.00 0.00 H new ATOM 0 HG2 PRO A 73 77.405 32.443 -15.875 1.00 0.00 H new ATOM 0 HG3 PRO A 73 76.668 33.932 -16.432 1.00 0.00 H new ATOM 0 HD2 PRO A 73 77.776 33.793 -13.958 1.00 0.00 H new ATOM 0 HD3 PRO A 73 76.341 34.760 -14.237 1.00 0.00 H new ATOM 802 N VAL A 74 74.389 29.687 -14.499 1.00 0.00 N ATOM 803 CA VAL A 74 74.558 28.222 -14.571 1.00 0.00 C ATOM 804 C VAL A 74 74.678 27.725 -16.023 1.00 0.00 C ATOM 805 O VAL A 74 75.394 26.753 -16.267 1.00 0.00 O ATOM 806 CB VAL A 74 73.420 27.503 -13.818 1.00 0.00 C ATOM 807 CG1 VAL A 74 73.733 26.016 -13.604 1.00 0.00 C ATOM 808 CG2 VAL A 74 73.140 28.110 -12.433 1.00 0.00 C ATOM 0 H VAL A 74 73.464 30.003 -14.791 1.00 0.00 H new ATOM 0 HA VAL A 74 75.498 27.975 -14.078 1.00 0.00 H new ATOM 0 HB VAL A 74 72.544 27.628 -14.454 1.00 0.00 H new ATOM 0 HG11 VAL A 74 72.908 25.544 -13.070 1.00 0.00 H new ATOM 0 HG12 VAL A 74 73.866 25.529 -14.570 1.00 0.00 H new ATOM 0 HG13 VAL A 74 74.647 25.917 -13.019 1.00 0.00 H new ATOM 0 HG21 VAL A 74 72.330 27.562 -11.953 1.00 0.00 H new ATOM 0 HG22 VAL A 74 74.038 28.043 -11.818 1.00 0.00 H new ATOM 0 HG23 VAL A 74 72.854 29.156 -12.545 1.00 0.00 H new ATOM 818 N THR A 75 74.048 28.401 -16.995 1.00 0.00 N ATOM 819 CA THR A 75 74.065 28.042 -18.435 1.00 0.00 C ATOM 820 C THR A 75 74.493 29.189 -19.359 1.00 0.00 C ATOM 821 O THR A 75 74.577 30.345 -18.943 1.00 0.00 O ATOM 822 CB THR A 75 72.700 27.503 -18.896 1.00 0.00 C ATOM 823 OG1 THR A 75 71.768 28.562 -18.956 1.00 0.00 O ATOM 824 CG2 THR A 75 72.183 26.403 -17.976 1.00 0.00 C ATOM 0 H THR A 75 73.495 29.237 -16.804 1.00 0.00 H new ATOM 0 HA THR A 75 74.821 27.262 -18.518 1.00 0.00 H new ATOM 0 HB THR A 75 72.829 27.067 -19.887 1.00 0.00 H new ATOM 0 HG1 THR A 75 70.900 28.217 -19.251 1.00 0.00 H new ATOM 0 HG21 THR A 75 71.217 26.050 -18.338 1.00 0.00 H new ATOM 0 HG22 THR A 75 72.891 25.574 -17.966 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.071 26.797 -16.966 1.00 0.00 H new ATOM 832 N ARG A 76 74.742 28.890 -20.645 1.00 0.00 N ATOM 833 CA ARG A 76 75.032 29.919 -21.671 1.00 0.00 C ATOM 834 C ARG A 76 73.856 30.880 -21.860 1.00 0.00 C ATOM 835 O ARG A 76 74.058 32.086 -21.989 1.00 0.00 O ATOM 836 CB ARG A 76 75.487 29.259 -22.994 1.00 0.00 C ATOM 837 CG ARG A 76 74.407 28.429 -23.715 1.00 0.00 C ATOM 838 CD ARG A 76 74.981 27.708 -24.941 1.00 0.00 C ATOM 839 NE ARG A 76 73.940 26.906 -25.618 1.00 0.00 N ATOM 840 CZ ARG A 76 74.114 26.070 -26.628 1.00 0.00 C ATOM 841 NH1 ARG A 76 75.283 25.868 -27.168 1.00 0.00 N ATOM 842 NH2 ARG A 76 73.102 25.415 -27.121 1.00 0.00 N ATOM 0 H ARG A 76 74.749 27.936 -21.006 1.00 0.00 H new ATOM 0 HA ARG A 76 75.862 30.530 -21.316 1.00 0.00 H new ATOM 0 HB2 ARG A 76 75.835 30.040 -23.670 1.00 0.00 H new ATOM 0 HB3 ARG A 76 76.340 28.614 -22.786 1.00 0.00 H new ATOM 0 HG2 ARG A 76 73.987 27.698 -23.025 1.00 0.00 H new ATOM 0 HG3 ARG A 76 73.590 29.082 -24.024 1.00 0.00 H new ATOM 0 HD2 ARG A 76 75.393 28.438 -25.637 1.00 0.00 H new ATOM 0 HD3 ARG A 76 75.803 27.060 -24.635 1.00 0.00 H new ATOM 0 HE ARG A 76 72.987 27.008 -25.269 1.00 0.00 H new ATOM 0 HH11 ARG A 76 76.101 26.362 -26.813 1.00 0.00 H new ATOM 0 HH12 ARG A 76 75.380 25.215 -27.946 1.00 0.00 H new ATOM 0 HH21 ARG A 76 72.170 25.546 -26.728 1.00 0.00 H new ATOM 0 HH22 ARG A 76 73.242 24.771 -27.900 1.00 0.00 H new ATOM 856 N SER A 77 72.633 30.356 -21.759 1.00 0.00 N ATOM 857 CA SER A 77 71.393 31.141 -21.758 1.00 0.00 C ATOM 858 C SER A 77 71.332 32.060 -20.538 1.00 0.00 C ATOM 859 O SER A 77 71.043 33.244 -20.695 1.00 0.00 O ATOM 860 CB SER A 77 70.170 30.216 -21.790 1.00 0.00 C ATOM 861 OG SER A 77 70.259 29.331 -22.899 1.00 0.00 O ATOM 0 H SER A 77 72.472 29.352 -21.674 1.00 0.00 H new ATOM 0 HA SER A 77 71.384 31.761 -22.655 1.00 0.00 H new ATOM 0 HB2 SER A 77 70.111 29.646 -20.863 1.00 0.00 H new ATOM 0 HB3 SER A 77 69.257 30.808 -21.859 1.00 0.00 H new ATOM 0 HG SER A 77 69.475 28.743 -22.912 1.00 0.00 H new ATOM 867 N ASP A 78 71.699 31.571 -19.345 1.00 0.00 N ATOM 868 CA ASP A 78 71.780 32.425 -18.154 1.00 0.00 C ATOM 869 C ASP A 78 72.802 33.549 -18.347 1.00 0.00 C ATOM 870 O ASP A 78 72.468 34.711 -18.136 1.00 0.00 O ATOM 871 CB ASP A 78 72.166 31.634 -16.901 1.00 0.00 C ATOM 872 CG ASP A 78 71.187 30.540 -16.472 1.00 0.00 C ATOM 873 OD1 ASP A 78 69.960 30.664 -16.709 1.00 0.00 O ATOM 874 OD2 ASP A 78 71.682 29.589 -15.826 1.00 0.00 O ATOM 0 H ASP A 78 71.943 30.594 -19.181 1.00 0.00 H new ATOM 0 HA ASP A 78 70.784 32.845 -18.017 1.00 0.00 H new ATOM 0 HB2 ASP A 78 73.141 31.176 -17.070 1.00 0.00 H new ATOM 0 HB3 ASP A 78 72.282 32.335 -16.074 1.00 0.00 H new ATOM 879 N ALA A 79 74.028 33.236 -18.792 1.00 0.00 N ATOM 880 CA ALA A 79 75.072 34.240 -18.998 1.00 0.00 C ATOM 881 C ALA A 79 74.652 35.323 -20.021 1.00 0.00 C ATOM 882 O ALA A 79 74.814 36.513 -19.751 1.00 0.00 O ATOM 883 CB ALA A 79 76.373 33.507 -19.367 1.00 0.00 C ATOM 0 H ALA A 79 74.319 32.284 -19.017 1.00 0.00 H new ATOM 0 HA ALA A 79 75.240 34.800 -18.078 1.00 0.00 H new ATOM 0 HB1 ALA A 79 77.168 34.235 -19.526 1.00 0.00 H new ATOM 0 HB2 ALA A 79 76.654 32.834 -18.557 1.00 0.00 H new ATOM 0 HB3 ALA A 79 76.220 32.932 -20.280 1.00 0.00 H new ATOM 889 N ARG A 80 74.024 34.939 -21.145 1.00 0.00 N ATOM 890 CA ARG A 80 73.490 35.873 -22.162 1.00 0.00 C ATOM 891 C ARG A 80 72.380 36.766 -21.592 1.00 0.00 C ATOM 892 O ARG A 80 72.446 37.986 -21.729 1.00 0.00 O ATOM 893 CB ARG A 80 73.045 35.049 -23.392 1.00 0.00 C ATOM 894 CG ARG A 80 72.792 35.844 -24.687 1.00 0.00 C ATOM 895 CD ARG A 80 71.449 36.591 -24.759 1.00 0.00 C ATOM 896 NE ARG A 80 71.268 37.214 -26.088 1.00 0.00 N ATOM 897 CZ ARG A 80 70.703 36.688 -27.163 1.00 0.00 C ATOM 898 NH1 ARG A 80 70.142 35.516 -27.176 1.00 0.00 N ATOM 899 NH2 ARG A 80 70.681 37.330 -28.293 1.00 0.00 N ATOM 0 H ARG A 80 73.869 33.959 -21.380 1.00 0.00 H new ATOM 0 HA ARG A 80 74.268 36.569 -22.476 1.00 0.00 H new ATOM 0 HB2 ARG A 80 73.808 34.297 -23.595 1.00 0.00 H new ATOM 0 HB3 ARG A 80 72.131 34.514 -23.134 1.00 0.00 H new ATOM 0 HG2 ARG A 80 73.597 36.569 -24.810 1.00 0.00 H new ATOM 0 HG3 ARG A 80 72.850 35.157 -25.531 1.00 0.00 H new ATOM 0 HD2 ARG A 80 70.631 35.898 -24.562 1.00 0.00 H new ATOM 0 HD3 ARG A 80 71.411 37.357 -23.985 1.00 0.00 H new ATOM 0 HE ARG A 80 71.622 38.165 -26.188 1.00 0.00 H new ATOM 0 HH11 ARG A 80 70.122 34.951 -26.327 1.00 0.00 H new ATOM 0 HH12 ARG A 80 69.722 35.161 -28.035 1.00 0.00 H new ATOM 0 HH21 ARG A 80 71.104 38.256 -28.362 1.00 0.00 H new ATOM 0 HH22 ARG A 80 70.241 36.908 -29.111 1.00 0.00 H new ATOM 913 N VAL A 81 71.394 36.180 -20.908 1.00 0.00 N ATOM 914 CA VAL A 81 70.288 36.922 -20.269 1.00 0.00 C ATOM 915 C VAL A 81 70.811 37.902 -19.226 1.00 0.00 C ATOM 916 O VAL A 81 70.421 39.064 -19.233 1.00 0.00 O ATOM 917 CB VAL A 81 69.284 35.960 -19.610 1.00 0.00 C ATOM 918 CG1 VAL A 81 68.272 36.675 -18.707 1.00 0.00 C ATOM 919 CG2 VAL A 81 68.478 35.219 -20.673 1.00 0.00 C ATOM 0 H VAL A 81 71.334 35.170 -20.777 1.00 0.00 H new ATOM 0 HA VAL A 81 69.780 37.481 -21.055 1.00 0.00 H new ATOM 0 HB VAL A 81 69.886 35.279 -19.008 1.00 0.00 H new ATOM 0 HG11 VAL A 81 67.592 35.943 -18.272 1.00 0.00 H new ATOM 0 HG12 VAL A 81 68.801 37.197 -17.910 1.00 0.00 H new ATOM 0 HG13 VAL A 81 67.703 37.394 -19.296 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.773 34.543 -20.189 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.931 35.939 -21.282 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.153 34.645 -21.308 1.00 0.00 H new ATOM 929 N LEU A 82 71.708 37.455 -18.347 1.00 0.00 N ATOM 930 CA LEU A 82 72.296 38.310 -17.307 1.00 0.00 C ATOM 931 C LEU A 82 73.082 39.482 -17.905 1.00 0.00 C ATOM 932 O LEU A 82 72.897 40.605 -17.440 1.00 0.00 O ATOM 933 CB LEU A 82 73.194 37.489 -16.369 1.00 0.00 C ATOM 934 CG LEU A 82 72.446 36.505 -15.453 1.00 0.00 C ATOM 935 CD1 LEU A 82 73.473 35.666 -14.702 1.00 0.00 C ATOM 936 CD2 LEU A 82 71.546 37.195 -14.427 1.00 0.00 C ATOM 0 H LEU A 82 72.049 36.494 -18.333 1.00 0.00 H new ATOM 0 HA LEU A 82 71.471 38.726 -16.730 1.00 0.00 H new ATOM 0 HB2 LEU A 82 73.909 36.929 -16.972 1.00 0.00 H new ATOM 0 HB3 LEU A 82 73.769 38.175 -15.748 1.00 0.00 H new ATOM 0 HG LEU A 82 71.804 35.898 -16.091 1.00 0.00 H new ATOM 0 HD11 LEU A 82 72.959 34.962 -14.047 1.00 0.00 H new ATOM 0 HD12 LEU A 82 74.086 35.116 -15.416 1.00 0.00 H new ATOM 0 HD13 LEU A 82 74.110 36.319 -14.105 1.00 0.00 H new ATOM 0 HD21 LEU A 82 71.049 36.443 -13.815 1.00 0.00 H new ATOM 0 HD22 LEU A 82 72.150 37.841 -13.790 1.00 0.00 H new ATOM 0 HD23 LEU A 82 70.797 37.794 -14.945 1.00 0.00 H new ATOM 948 N ILE A 83 73.886 39.261 -18.959 1.00 0.00 N ATOM 949 CA ILE A 83 74.555 40.358 -19.683 1.00 0.00 C ATOM 950 C ILE A 83 73.518 41.362 -20.195 1.00 0.00 C ATOM 951 O ILE A 83 73.628 42.549 -19.897 1.00 0.00 O ATOM 952 CB ILE A 83 75.449 39.830 -20.830 1.00 0.00 C ATOM 953 CG1 ILE A 83 76.698 39.147 -20.223 1.00 0.00 C ATOM 954 CG2 ILE A 83 75.863 40.971 -21.791 1.00 0.00 C ATOM 955 CD1 ILE A 83 77.410 38.200 -21.195 1.00 0.00 C ATOM 0 H ILE A 83 74.089 38.333 -19.329 1.00 0.00 H new ATOM 0 HA ILE A 83 75.216 40.871 -18.984 1.00 0.00 H new ATOM 0 HB ILE A 83 74.883 39.104 -21.414 1.00 0.00 H new ATOM 0 HG12 ILE A 83 77.400 39.915 -19.897 1.00 0.00 H new ATOM 0 HG13 ILE A 83 76.401 38.588 -19.335 1.00 0.00 H new ATOM 0 HG21 ILE A 83 76.490 40.568 -22.586 1.00 0.00 H new ATOM 0 HG22 ILE A 83 74.971 41.422 -22.226 1.00 0.00 H new ATOM 0 HG23 ILE A 83 76.419 41.728 -21.238 1.00 0.00 H new ATOM 0 HD11 ILE A 83 78.276 37.757 -20.703 1.00 0.00 H new ATOM 0 HD12 ILE A 83 76.724 37.411 -21.502 1.00 0.00 H new ATOM 0 HD13 ILE A 83 77.738 38.758 -22.072 1.00 0.00 H new ATOM 967 N PHE A 84 72.497 40.897 -20.919 1.00 0.00 N ATOM 968 CA PHE A 84 71.499 41.782 -21.518 1.00 0.00 C ATOM 969 C PHE A 84 70.663 42.548 -20.480 1.00 0.00 C ATOM 970 O PHE A 84 70.509 43.763 -20.600 1.00 0.00 O ATOM 971 CB PHE A 84 70.606 40.968 -22.460 1.00 0.00 C ATOM 972 CG PHE A 84 69.719 41.807 -23.357 1.00 0.00 C ATOM 973 CD1 PHE A 84 70.300 42.759 -24.214 1.00 0.00 C ATOM 974 CD2 PHE A 84 68.325 41.608 -23.385 1.00 0.00 C ATOM 975 CE1 PHE A 84 69.514 43.457 -25.139 1.00 0.00 C ATOM 976 CE2 PHE A 84 67.528 42.341 -24.284 1.00 0.00 C ATOM 977 CZ PHE A 84 68.123 43.258 -25.172 1.00 0.00 C ATOM 0 H PHE A 84 72.341 39.906 -21.104 1.00 0.00 H new ATOM 0 HA PHE A 84 72.032 42.548 -22.082 1.00 0.00 H new ATOM 0 HB2 PHE A 84 71.237 40.334 -23.083 1.00 0.00 H new ATOM 0 HB3 PHE A 84 69.978 40.305 -21.864 1.00 0.00 H new ATOM 0 HD1 PHE A 84 71.361 42.953 -24.158 1.00 0.00 H new ATOM 0 HD2 PHE A 84 67.868 40.893 -22.717 1.00 0.00 H new ATOM 0 HE1 PHE A 84 69.977 44.149 -25.827 1.00 0.00 H new ATOM 0 HE2 PHE A 84 66.457 42.200 -24.293 1.00 0.00 H new ATOM 0 HZ PHE A 84 67.513 43.806 -25.875 1.00 0.00 H new ATOM 987 N ASN A 85 70.171 41.868 -19.440 1.00 0.00 N ATOM 988 CA ASN A 85 69.341 42.456 -18.387 1.00 0.00 C ATOM 989 C ASN A 85 70.133 43.462 -17.528 1.00 0.00 C ATOM 990 O ASN A 85 69.678 44.590 -17.318 1.00 0.00 O ATOM 991 CB ASN A 85 68.761 41.334 -17.499 1.00 0.00 C ATOM 992 CG ASN A 85 67.679 40.474 -18.147 1.00 0.00 C ATOM 993 OD1 ASN A 85 67.336 40.588 -19.316 1.00 0.00 O ATOM 994 ND2 ASN A 85 67.087 39.588 -17.375 1.00 0.00 N ATOM 0 H ASN A 85 70.343 40.872 -19.305 1.00 0.00 H new ATOM 0 HA ASN A 85 68.528 43.005 -18.863 1.00 0.00 H new ATOM 0 HB2 ASN A 85 69.578 40.684 -17.186 1.00 0.00 H new ATOM 0 HB3 ASN A 85 68.349 41.786 -16.596 1.00 0.00 H new ATOM 0 HD21 ASN A 85 66.344 38.999 -17.751 1.00 0.00 H new ATOM 0 HD22 ASN A 85 67.371 39.491 -16.400 1.00 0.00 H new ATOM 1001 N GLU A 86 71.324 43.073 -17.053 1.00 0.00 N ATOM 1002 CA GLU A 86 72.165 43.946 -16.229 1.00 0.00 C ATOM 1003 C GLU A 86 72.645 45.160 -17.030 1.00 0.00 C ATOM 1004 O GLU A 86 72.547 46.283 -16.528 1.00 0.00 O ATOM 1005 CB GLU A 86 73.349 43.163 -15.641 1.00 0.00 C ATOM 1006 CG GLU A 86 74.142 43.998 -14.630 1.00 0.00 C ATOM 1007 CD GLU A 86 75.258 43.156 -13.984 1.00 0.00 C ATOM 1008 OE1 GLU A 86 76.390 43.119 -14.526 1.00 0.00 O ATOM 1009 OE2 GLU A 86 75.017 42.534 -12.919 1.00 0.00 O ATOM 0 H GLU A 86 71.727 42.153 -17.228 1.00 0.00 H new ATOM 0 HA GLU A 86 71.562 44.315 -15.399 1.00 0.00 H new ATOM 0 HB2 GLU A 86 72.981 42.259 -15.156 1.00 0.00 H new ATOM 0 HB3 GLU A 86 74.010 42.845 -16.447 1.00 0.00 H new ATOM 0 HG2 GLU A 86 74.576 44.865 -15.128 1.00 0.00 H new ATOM 0 HG3 GLU A 86 73.472 44.376 -13.858 1.00 0.00 H new ATOM 1016 N TRP A 87 73.076 44.969 -18.287 1.00 0.00 N ATOM 1017 CA TRP A 87 73.356 46.092 -19.171 1.00 0.00 C ATOM 1018 C TRP A 87 72.132 46.984 -19.338 1.00 0.00 C ATOM 1019 O TRP A 87 72.286 48.179 -19.164 1.00 0.00 O ATOM 1020 CB TRP A 87 73.833 45.612 -20.537 1.00 0.00 C ATOM 1021 CG TRP A 87 73.907 46.677 -21.587 1.00 0.00 C ATOM 1022 CD1 TRP A 87 74.854 47.635 -21.708 1.00 0.00 C ATOM 1023 CD2 TRP A 87 73.029 46.843 -22.738 1.00 0.00 C ATOM 1024 NE1 TRP A 87 74.640 48.350 -22.869 1.00 0.00 N ATOM 1025 CE2 TRP A 87 73.540 47.894 -23.553 1.00 0.00 C ATOM 1026 CE3 TRP A 87 71.905 46.148 -23.224 1.00 0.00 C ATOM 1027 CZ2 TRP A 87 73.019 48.194 -24.819 1.00 0.00 C ATOM 1028 CZ3 TRP A 87 71.364 46.458 -24.479 1.00 0.00 C ATOM 1029 CH2 TRP A 87 71.916 47.464 -25.289 1.00 0.00 C ATOM 0 H TRP A 87 73.235 44.052 -18.704 1.00 0.00 H new ATOM 0 HA TRP A 87 74.151 46.675 -18.707 1.00 0.00 H new ATOM 0 HB2 TRP A 87 74.820 45.164 -20.424 1.00 0.00 H new ATOM 0 HB3 TRP A 87 73.163 44.825 -20.884 1.00 0.00 H new ATOM 0 HD1 TRP A 87 75.654 47.813 -21.005 1.00 0.00 H new ATOM 0 HE1 TRP A 87 75.228 49.123 -23.181 1.00 0.00 H new ATOM 0 HE3 TRP A 87 71.456 45.370 -22.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 73.459 48.974 -25.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 70.502 45.911 -24.832 1.00 0.00 H new ATOM 0 HH2 TRP A 87 71.497 47.673 -26.262 1.00 0.00 H new ATOM 1040 N GLU A 88 70.931 46.465 -19.609 1.00 0.00 N ATOM 1041 CA GLU A 88 69.750 47.318 -19.797 1.00 0.00 C ATOM 1042 C GLU A 88 69.396 48.158 -18.558 1.00 0.00 C ATOM 1043 O GLU A 88 69.090 49.338 -18.712 1.00 0.00 O ATOM 1044 CB GLU A 88 68.530 46.501 -20.263 1.00 0.00 C ATOM 1045 CG GLU A 88 68.293 46.631 -21.774 1.00 0.00 C ATOM 1046 CD GLU A 88 67.927 48.079 -22.167 1.00 0.00 C ATOM 1047 OE1 GLU A 88 66.853 48.571 -21.738 1.00 0.00 O ATOM 1048 OE2 GLU A 88 68.709 48.737 -22.894 1.00 0.00 O ATOM 0 H GLU A 88 70.749 45.466 -19.703 1.00 0.00 H new ATOM 0 HA GLU A 88 70.022 48.022 -20.583 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.678 45.452 -20.008 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.643 46.837 -19.727 1.00 0.00 H new ATOM 0 HG2 GLU A 88 69.189 46.322 -22.312 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.492 45.957 -22.077 1.00 0.00 H new ATOM 1055 N GLU A 89 69.478 47.622 -17.336 1.00 0.00 N ATOM 1056 CA GLU A 89 69.246 48.427 -16.118 1.00 0.00 C ATOM 1057 C GLU A 89 70.329 49.510 -15.929 1.00 0.00 C ATOM 1058 O GLU A 89 70.034 50.712 -15.809 1.00 0.00 O ATOM 1059 CB GLU A 89 69.178 47.517 -14.881 1.00 0.00 C ATOM 1060 CG GLU A 89 67.931 46.627 -14.879 1.00 0.00 C ATOM 1061 CD GLU A 89 67.852 45.799 -13.581 1.00 0.00 C ATOM 1062 OE1 GLU A 89 68.409 44.675 -13.528 1.00 0.00 O ATOM 1063 OE2 GLU A 89 67.224 46.267 -12.598 1.00 0.00 O ATOM 0 H GLU A 89 69.701 46.643 -17.158 1.00 0.00 H new ATOM 0 HA GLU A 89 68.290 48.937 -16.239 1.00 0.00 H new ATOM 0 HB2 GLU A 89 70.069 46.890 -14.845 1.00 0.00 H new ATOM 0 HB3 GLU A 89 69.184 48.131 -13.981 1.00 0.00 H new ATOM 0 HG2 GLU A 89 67.038 47.244 -14.977 1.00 0.00 H new ATOM 0 HG3 GLU A 89 67.953 45.960 -15.741 1.00 0.00 H new ATOM 1070 N ARG A 90 71.604 49.093 -15.983 1.00 0.00 N ATOM 1071 CA ARG A 90 72.750 50.011 -15.892 1.00 0.00 C ATOM 1072 C ARG A 90 72.648 51.094 -16.949 1.00 0.00 C ATOM 1073 O ARG A 90 72.724 52.261 -16.618 1.00 0.00 O ATOM 1074 CB ARG A 90 74.071 49.260 -16.076 1.00 0.00 C ATOM 1075 CG ARG A 90 74.421 48.294 -14.947 1.00 0.00 C ATOM 1076 CD ARG A 90 75.006 48.980 -13.704 1.00 0.00 C ATOM 1077 NE ARG A 90 73.961 49.530 -12.815 1.00 0.00 N ATOM 1078 CZ ARG A 90 73.825 50.775 -12.389 1.00 0.00 C ATOM 1079 NH1 ARG A 90 74.511 51.774 -12.865 1.00 0.00 N ATOM 1080 NH2 ARG A 90 72.958 51.045 -11.455 1.00 0.00 N ATOM 0 H ARG A 90 71.869 48.114 -16.091 1.00 0.00 H new ATOM 0 HA ARG A 90 72.731 50.463 -14.900 1.00 0.00 H new ATOM 0 HB2 ARG A 90 74.029 48.703 -17.012 1.00 0.00 H new ATOM 0 HB3 ARG A 90 74.876 49.988 -16.175 1.00 0.00 H new ATOM 0 HG2 ARG A 90 73.524 47.745 -14.660 1.00 0.00 H new ATOM 0 HG3 ARG A 90 75.138 47.561 -15.317 1.00 0.00 H new ATOM 0 HD2 ARG A 90 75.610 48.263 -13.148 1.00 0.00 H new ATOM 0 HD3 ARG A 90 75.672 49.784 -14.017 1.00 0.00 H new ATOM 0 HE ARG A 90 73.257 48.867 -12.490 1.00 0.00 H new ATOM 0 HH11 ARG A 90 75.195 51.616 -13.605 1.00 0.00 H new ATOM 0 HH12 ARG A 90 74.364 52.714 -12.498 1.00 0.00 H new ATOM 0 HH21 ARG A 90 72.389 50.298 -11.056 1.00 0.00 H new ATOM 0 HH22 ARG A 90 72.848 52.003 -11.122 1.00 0.00 H new ATOM 1094 N LYS A 91 72.384 50.715 -18.195 1.00 0.00 N ATOM 1095 CA LYS A 91 72.224 51.592 -19.369 1.00 0.00 C ATOM 1096 C LYS A 91 70.994 52.500 -19.294 1.00 0.00 C ATOM 1097 O LYS A 91 71.084 53.645 -19.727 1.00 0.00 O ATOM 1098 CB LYS A 91 72.242 50.729 -20.649 1.00 0.00 C ATOM 1099 CG LYS A 91 72.181 51.445 -22.010 1.00 0.00 C ATOM 1100 CD LYS A 91 70.753 51.858 -22.430 1.00 0.00 C ATOM 1101 CE LYS A 91 70.511 51.760 -23.944 1.00 0.00 C ATOM 1102 NZ LYS A 91 70.357 50.346 -24.397 1.00 0.00 N ATOM 0 H LYS A 91 72.267 49.731 -18.436 1.00 0.00 H new ATOM 0 HA LYS A 91 73.066 52.283 -19.389 1.00 0.00 H new ATOM 0 HB2 LYS A 91 73.149 50.125 -20.631 1.00 0.00 H new ATOM 0 HB3 LYS A 91 71.399 50.039 -20.598 1.00 0.00 H new ATOM 0 HG2 LYS A 91 72.810 52.334 -21.972 1.00 0.00 H new ATOM 0 HG3 LYS A 91 72.600 50.790 -22.774 1.00 0.00 H new ATOM 0 HD2 LYS A 91 70.032 51.225 -21.912 1.00 0.00 H new ATOM 0 HD3 LYS A 91 70.568 52.882 -22.105 1.00 0.00 H new ATOM 0 HE2 LYS A 91 69.615 52.324 -24.205 1.00 0.00 H new ATOM 0 HE3 LYS A 91 71.344 52.222 -24.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 69.872 50.327 -25.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 71.295 49.907 -24.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 69.796 49.817 -23.699 1.00 0.00 H new ATOM 1116 N LYS A 92 69.880 52.075 -18.684 1.00 0.00 N ATOM 1117 CA LYS A 92 68.782 52.996 -18.325 1.00 0.00 C ATOM 1118 C LYS A 92 69.250 54.075 -17.334 1.00 0.00 C ATOM 1119 O LYS A 92 68.782 55.211 -17.426 1.00 0.00 O ATOM 1120 CB LYS A 92 67.558 52.228 -17.793 1.00 0.00 C ATOM 1121 CG LYS A 92 66.683 51.665 -18.928 1.00 0.00 C ATOM 1122 CD LYS A 92 65.427 50.989 -18.353 1.00 0.00 C ATOM 1123 CE LYS A 92 64.427 50.566 -19.442 1.00 0.00 C ATOM 1124 NZ LYS A 92 64.775 49.267 -20.082 1.00 0.00 N ATOM 0 H LYS A 92 69.711 51.102 -18.427 1.00 0.00 H new ATOM 0 HA LYS A 92 68.474 53.509 -19.236 1.00 0.00 H new ATOM 0 HB2 LYS A 92 67.894 51.410 -17.156 1.00 0.00 H new ATOM 0 HB3 LYS A 92 66.958 52.891 -17.170 1.00 0.00 H new ATOM 0 HG2 LYS A 92 66.393 52.469 -19.605 1.00 0.00 H new ATOM 0 HG3 LYS A 92 67.255 50.945 -19.514 1.00 0.00 H new ATOM 0 HD2 LYS A 92 65.723 50.112 -17.777 1.00 0.00 H new ATOM 0 HD3 LYS A 92 64.936 51.673 -17.661 1.00 0.00 H new ATOM 0 HE2 LYS A 92 63.431 50.493 -19.004 1.00 0.00 H new ATOM 0 HE3 LYS A 92 64.383 51.341 -20.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 63.992 48.961 -20.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 65.636 49.381 -20.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 64.940 48.551 -19.346 1.00 0.00 H new ATOM 1138 N SER A 93 70.215 53.766 -16.458 1.00 0.00 N ATOM 1139 CA SER A 93 70.949 54.804 -15.692 1.00 0.00 C ATOM 1140 C SER A 93 72.117 55.489 -16.462 1.00 0.00 C ATOM 1141 O SER A 93 72.470 56.636 -16.173 1.00 0.00 O ATOM 1142 CB SER A 93 71.433 54.204 -14.365 1.00 0.00 C ATOM 1143 OG SER A 93 71.747 55.232 -13.436 1.00 0.00 O ATOM 0 H SER A 93 70.511 52.811 -16.256 1.00 0.00 H new ATOM 0 HA SER A 93 70.240 55.612 -15.511 1.00 0.00 H new ATOM 0 HB2 SER A 93 70.662 53.555 -13.950 1.00 0.00 H new ATOM 0 HB3 SER A 93 72.312 53.583 -14.539 1.00 0.00 H new ATOM 0 HG SER A 93 72.052 54.831 -12.595 1.00 0.00 H new ATOM 1149 N GLU A 94 72.701 54.822 -17.465 1.00 0.00 N ATOM 1150 CA GLU A 94 73.984 55.129 -18.127 1.00 0.00 C ATOM 1151 C GLU A 94 73.891 54.962 -19.667 1.00 0.00 C ATOM 1152 O GLU A 94 74.424 53.993 -20.217 1.00 0.00 O ATOM 1153 CB GLU A 94 75.094 54.198 -17.580 1.00 0.00 C ATOM 1154 CG GLU A 94 75.312 54.274 -16.068 1.00 0.00 C ATOM 1155 CD GLU A 94 76.452 53.333 -15.624 1.00 0.00 C ATOM 1156 OE1 GLU A 94 77.643 53.676 -15.833 1.00 0.00 O ATOM 1157 OE2 GLU A 94 76.167 52.262 -15.030 1.00 0.00 O ATOM 0 H GLU A 94 72.262 53.994 -17.867 1.00 0.00 H new ATOM 0 HA GLU A 94 74.225 56.170 -17.911 1.00 0.00 H new ATOM 0 HB2 GLU A 94 74.849 53.170 -17.846 1.00 0.00 H new ATOM 0 HB3 GLU A 94 76.031 54.442 -18.080 1.00 0.00 H new ATOM 0 HG2 GLU A 94 75.550 55.299 -15.783 1.00 0.00 H new ATOM 0 HG3 GLU A 94 74.391 54.005 -15.551 1.00 0.00 H new ATOM 1164 N PRO A 95 73.213 55.861 -20.408 1.00 0.00 N ATOM 1165 CA PRO A 95 72.831 55.639 -21.815 1.00 0.00 C ATOM 1166 C PRO A 95 73.992 55.434 -22.816 1.00 0.00 C ATOM 1167 O PRO A 95 73.758 55.048 -23.962 1.00 0.00 O ATOM 1168 CB PRO A 95 71.941 56.833 -22.187 1.00 0.00 C ATOM 1169 CG PRO A 95 72.301 57.907 -21.160 1.00 0.00 C ATOM 1170 CD PRO A 95 72.603 57.083 -19.913 1.00 0.00 C ATOM 0 HA PRO A 95 72.314 54.682 -21.893 1.00 0.00 H new ATOM 0 HB2 PRO A 95 72.137 57.173 -23.204 1.00 0.00 H new ATOM 0 HB3 PRO A 95 70.884 56.572 -22.136 1.00 0.00 H new ATOM 0 HG2 PRO A 95 73.162 58.497 -21.475 1.00 0.00 H new ATOM 0 HG3 PRO A 95 71.479 58.604 -20.997 1.00 0.00 H new ATOM 0 HD2 PRO A 95 73.276 57.616 -19.241 1.00 0.00 H new ATOM 0 HD3 PRO A 95 71.694 56.870 -19.351 1.00 0.00 H new ATOM 1178 N TRP A 96 75.241 55.652 -22.390 1.00 0.00 N ATOM 1179 CA TRP A 96 76.474 55.403 -23.149 1.00 0.00 C ATOM 1180 C TRP A 96 76.976 53.943 -23.109 1.00 0.00 C ATOM 1181 O TRP A 96 77.844 53.586 -23.912 1.00 0.00 O ATOM 1182 CB TRP A 96 77.550 56.349 -22.592 1.00 0.00 C ATOM 1183 CG TRP A 96 77.762 56.267 -21.105 1.00 0.00 C ATOM 1184 CD1 TRP A 96 78.577 55.397 -20.466 1.00 0.00 C ATOM 1185 CD2 TRP A 96 77.128 57.062 -20.052 1.00 0.00 C ATOM 1186 NE1 TRP A 96 78.495 55.596 -19.101 1.00 0.00 N ATOM 1187 CE2 TRP A 96 77.615 56.609 -18.788 1.00 0.00 C ATOM 1188 CE3 TRP A 96 76.182 58.111 -20.036 1.00 0.00 C ATOM 1189 CZ2 TRP A 96 77.187 57.166 -17.574 1.00 0.00 C ATOM 1190 CZ3 TRP A 96 75.748 58.680 -18.821 1.00 0.00 C ATOM 1191 CH2 TRP A 96 76.245 58.208 -17.593 1.00 0.00 C ATOM 0 H TRP A 96 75.430 56.026 -21.460 1.00 0.00 H new ATOM 0 HA TRP A 96 76.258 55.590 -24.201 1.00 0.00 H new ATOM 0 HB2 TRP A 96 78.495 56.134 -23.091 1.00 0.00 H new ATOM 0 HB3 TRP A 96 77.280 57.373 -22.849 1.00 0.00 H new ATOM 0 HD1 TRP A 96 79.198 54.658 -20.950 1.00 0.00 H new ATOM 0 HE1 TRP A 96 79.021 55.060 -18.411 1.00 0.00 H new ATOM 0 HE3 TRP A 96 75.785 58.483 -20.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 77.577 56.798 -16.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 75.028 59.485 -18.834 1.00 0.00 H new ATOM 0 HH2 TRP A 96 75.903 58.646 -16.667 1.00 0.00 H new ATOM 1202 N LEU A 97 76.488 53.096 -22.192 1.00 0.00 N ATOM 1203 CA LEU A 97 77.124 51.830 -21.816 1.00 0.00 C ATOM 1204 C LEU A 97 77.276 50.820 -22.975 1.00 0.00 C ATOM 1205 O LEU A 97 76.331 50.557 -23.720 1.00 0.00 O ATOM 1206 CB LEU A 97 76.310 51.232 -20.654 1.00 0.00 C ATOM 1207 CG LEU A 97 77.007 50.095 -19.905 1.00 0.00 C ATOM 1208 CD1 LEU A 97 78.293 50.529 -19.197 1.00 0.00 C ATOM 1209 CD2 LEU A 97 76.055 49.551 -18.844 1.00 0.00 C ATOM 0 H LEU A 97 75.623 53.277 -21.682 1.00 0.00 H new ATOM 0 HA LEU A 97 78.150 52.042 -21.517 1.00 0.00 H new ATOM 0 HB2 LEU A 97 76.076 52.026 -19.945 1.00 0.00 H new ATOM 0 HB3 LEU A 97 75.361 50.864 -21.044 1.00 0.00 H new ATOM 0 HG LEU A 97 77.274 49.347 -20.651 1.00 0.00 H new ATOM 0 HD11 LEU A 97 78.734 49.673 -18.687 1.00 0.00 H new ATOM 0 HD12 LEU A 97 78.999 50.917 -19.931 1.00 0.00 H new ATOM 0 HD13 LEU A 97 78.063 51.306 -18.469 1.00 0.00 H new ATOM 0 HD21 LEU A 97 76.540 48.739 -18.302 1.00 0.00 H new ATOM 0 HD22 LEU A 97 75.794 50.347 -18.147 1.00 0.00 H new ATOM 0 HD23 LEU A 97 75.150 49.178 -19.324 1.00 0.00 H new ATOM 1221 N ARG A 98 78.462 50.205 -23.084 1.00 0.00 N ATOM 1222 CA ARG A 98 78.784 49.167 -24.086 1.00 0.00 C ATOM 1223 C ARG A 98 78.147 47.806 -23.754 1.00 0.00 C ATOM 1224 O ARG A 98 77.891 47.503 -22.590 1.00 0.00 O ATOM 1225 CB ARG A 98 80.312 49.012 -24.205 1.00 0.00 C ATOM 1226 CG ARG A 98 81.108 50.278 -24.582 1.00 0.00 C ATOM 1227 CD ARG A 98 80.746 50.874 -25.949 1.00 0.00 C ATOM 1228 NE ARG A 98 79.553 51.745 -25.888 1.00 0.00 N ATOM 1229 CZ ARG A 98 78.807 52.144 -26.903 1.00 0.00 C ATOM 1230 NH1 ARG A 98 79.026 51.755 -28.128 1.00 0.00 N ATOM 1231 NH2 ARG A 98 77.816 52.956 -26.690 1.00 0.00 N ATOM 0 H ARG A 98 79.245 50.417 -22.466 1.00 0.00 H new ATOM 0 HA ARG A 98 78.365 49.496 -25.037 1.00 0.00 H new ATOM 0 HB2 ARG A 98 80.692 48.642 -23.253 1.00 0.00 H new ATOM 0 HB3 ARG A 98 80.519 48.245 -24.951 1.00 0.00 H new ATOM 0 HG2 ARG A 98 80.946 51.035 -23.815 1.00 0.00 H new ATOM 0 HG3 ARG A 98 82.171 50.039 -24.574 1.00 0.00 H new ATOM 0 HD2 ARG A 98 81.592 51.448 -26.327 1.00 0.00 H new ATOM 0 HD3 ARG A 98 80.566 50.066 -26.658 1.00 0.00 H new ATOM 0 HE ARG A 98 79.276 52.073 -24.963 1.00 0.00 H new ATOM 0 HH11 ARG A 98 79.797 51.119 -28.331 1.00 0.00 H new ATOM 0 HH12 ARG A 98 78.426 52.087 -28.883 1.00 0.00 H new ATOM 0 HH21 ARG A 98 77.618 53.282 -25.744 1.00 0.00 H new ATOM 0 HH22 ARG A 98 77.236 53.268 -27.469 1.00 0.00 H new ATOM 1245 N LEU A 99 77.932 46.982 -24.783 1.00 0.00 N ATOM 1246 CA LEU A 99 77.288 45.662 -24.723 1.00 0.00 C ATOM 1247 C LEU A 99 78.077 44.653 -25.574 1.00 0.00 C ATOM 1248 O LEU A 99 78.320 44.892 -26.757 1.00 0.00 O ATOM 1249 CB LEU A 99 75.840 45.851 -25.221 1.00 0.00 C ATOM 1250 CG LEU A 99 74.835 44.683 -25.159 1.00 0.00 C ATOM 1251 CD1 LEU A 99 75.083 43.688 -26.297 1.00 0.00 C ATOM 1252 CD2 LEU A 99 74.781 43.981 -23.804 1.00 0.00 C ATOM 0 H LEU A 99 78.216 47.228 -25.731 1.00 0.00 H new ATOM 0 HA LEU A 99 77.274 45.260 -23.710 1.00 0.00 H new ATOM 0 HB2 LEU A 99 75.410 46.677 -24.655 1.00 0.00 H new ATOM 0 HB3 LEU A 99 75.896 46.173 -26.261 1.00 0.00 H new ATOM 0 HG LEU A 99 73.849 45.129 -25.291 1.00 0.00 H new ATOM 0 HD11 LEU A 99 74.362 42.873 -26.232 1.00 0.00 H new ATOM 0 HD12 LEU A 99 74.971 44.196 -27.255 1.00 0.00 H new ATOM 0 HD13 LEU A 99 76.093 43.286 -26.215 1.00 0.00 H new ATOM 0 HD21 LEU A 99 74.051 43.172 -23.842 1.00 0.00 H new ATOM 0 HD22 LEU A 99 75.763 43.573 -23.566 1.00 0.00 H new ATOM 0 HD23 LEU A 99 74.490 44.696 -23.035 1.00 0.00 H new ATOM 1264 N ASP A 100 78.455 43.517 -24.979 1.00 0.00 N ATOM 1265 CA ASP A 100 79.056 42.382 -25.694 1.00 0.00 C ATOM 1266 C ASP A 100 78.657 41.054 -25.038 1.00 0.00 C ATOM 1267 O ASP A 100 78.902 40.844 -23.849 1.00 0.00 O ATOM 1268 CB ASP A 100 80.586 42.534 -25.747 1.00 0.00 C ATOM 1269 CG ASP A 100 81.297 41.426 -26.555 1.00 0.00 C ATOM 1270 OD1 ASP A 100 80.625 40.643 -27.273 1.00 0.00 O ATOM 1271 OD2 ASP A 100 82.546 41.353 -26.480 1.00 0.00 O ATOM 0 H ASP A 100 78.352 43.356 -23.977 1.00 0.00 H new ATOM 0 HA ASP A 100 78.678 42.376 -26.716 1.00 0.00 H new ATOM 0 HB2 ASP A 100 80.830 43.502 -26.184 1.00 0.00 H new ATOM 0 HB3 ASP A 100 80.977 42.536 -24.729 1.00 0.00 H new ATOM 1276 N MET A 101 78.046 40.164 -25.822 1.00 0.00 N ATOM 1277 CA MET A 101 77.689 38.788 -25.450 1.00 0.00 C ATOM 1278 C MET A 101 77.993 37.790 -26.591 1.00 0.00 C ATOM 1279 O MET A 101 77.322 36.767 -26.745 1.00 0.00 O ATOM 1280 CB MET A 101 76.255 38.710 -24.871 1.00 0.00 C ATOM 1281 CG MET A 101 75.260 39.741 -25.415 1.00 0.00 C ATOM 1282 SD MET A 101 73.611 39.598 -24.688 1.00 0.00 S ATOM 1283 CE MET A 101 72.795 40.989 -25.513 1.00 0.00 C ATOM 0 H MET A 101 77.773 40.390 -26.778 1.00 0.00 H new ATOM 0 HA MET A 101 78.334 38.469 -24.631 1.00 0.00 H new ATOM 0 HB2 MET A 101 75.859 37.713 -25.065 1.00 0.00 H new ATOM 0 HB3 MET A 101 76.314 38.825 -23.789 1.00 0.00 H new ATOM 0 HG2 MET A 101 75.647 40.743 -25.227 1.00 0.00 H new ATOM 0 HG3 MET A 101 75.184 39.626 -26.496 1.00 0.00 H new ATOM 0 HE1 MET A 101 71.734 40.770 -25.631 1.00 0.00 H new ATOM 0 HE2 MET A 101 72.915 41.890 -24.912 1.00 0.00 H new ATOM 0 HE3 MET A 101 73.244 41.145 -26.494 1.00 0.00 H new ATOM 1293 N SER A 102 79.037 38.071 -27.384 1.00 0.00 N ATOM 1294 CA SER A 102 79.688 37.062 -28.235 1.00 0.00 C ATOM 1295 C SER A 102 80.289 35.946 -27.367 1.00 0.00 C ATOM 1296 O SER A 102 80.651 36.187 -26.214 1.00 0.00 O ATOM 1297 CB SER A 102 80.774 37.723 -29.090 1.00 0.00 C ATOM 1298 OG SER A 102 81.323 36.786 -30.006 1.00 0.00 O ATOM 0 H SER A 102 79.453 39.000 -27.454 1.00 0.00 H new ATOM 0 HA SER A 102 78.944 36.620 -28.897 1.00 0.00 H new ATOM 0 HB2 SER A 102 80.353 38.569 -29.634 1.00 0.00 H new ATOM 0 HB3 SER A 102 81.561 38.117 -28.448 1.00 0.00 H new ATOM 0 HG SER A 102 82.014 37.223 -30.546 1.00 0.00 H new ATOM 1304 N ASP A 103 80.419 34.723 -27.888 1.00 0.00 N ATOM 1305 CA ASP A 103 80.775 33.530 -27.099 1.00 0.00 C ATOM 1306 C ASP A 103 82.065 33.700 -26.276 1.00 0.00 C ATOM 1307 O ASP A 103 82.116 33.298 -25.113 1.00 0.00 O ATOM 1308 CB ASP A 103 80.899 32.320 -28.034 1.00 0.00 C ATOM 1309 CG ASP A 103 79.563 31.983 -28.715 1.00 0.00 C ATOM 1310 OD1 ASP A 103 78.715 31.306 -28.086 1.00 0.00 O ATOM 1311 OD2 ASP A 103 79.359 32.388 -29.886 1.00 0.00 O ATOM 0 H ASP A 103 80.280 34.526 -28.879 1.00 0.00 H new ATOM 0 HA ASP A 103 79.973 33.375 -26.377 1.00 0.00 H new ATOM 0 HB2 ASP A 103 81.653 32.524 -28.794 1.00 0.00 H new ATOM 0 HB3 ASP A 103 81.245 31.456 -27.466 1.00 0.00 H new ATOM 1316 N LYS A 104 83.071 34.397 -26.826 1.00 0.00 N ATOM 1317 CA LYS A 104 84.341 34.698 -26.136 1.00 0.00 C ATOM 1318 C LYS A 104 84.142 35.540 -24.868 1.00 0.00 C ATOM 1319 O LYS A 104 84.840 35.316 -23.882 1.00 0.00 O ATOM 1320 CB LYS A 104 85.327 35.383 -27.104 1.00 0.00 C ATOM 1321 CG LYS A 104 86.110 34.417 -28.012 1.00 0.00 C ATOM 1322 CD LYS A 104 85.253 33.630 -29.019 1.00 0.00 C ATOM 1323 CE LYS A 104 86.096 32.750 -29.958 1.00 0.00 C ATOM 1324 NZ LYS A 104 86.869 33.542 -30.958 1.00 0.00 N ATOM 0 H LYS A 104 83.028 34.773 -27.773 1.00 0.00 H new ATOM 0 HA LYS A 104 84.764 33.747 -25.812 1.00 0.00 H new ATOM 0 HB2 LYS A 104 84.773 36.082 -27.731 1.00 0.00 H new ATOM 0 HB3 LYS A 104 86.038 35.970 -26.522 1.00 0.00 H new ATOM 0 HG2 LYS A 104 86.859 34.987 -28.563 1.00 0.00 H new ATOM 0 HG3 LYS A 104 86.648 33.707 -27.383 1.00 0.00 H new ATOM 0 HD2 LYS A 104 84.547 33.002 -28.476 1.00 0.00 H new ATOM 0 HD3 LYS A 104 84.665 34.329 -29.614 1.00 0.00 H new ATOM 0 HE2 LYS A 104 86.787 32.151 -29.364 1.00 0.00 H new ATOM 0 HE3 LYS A 104 85.440 32.054 -30.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 87.404 32.897 -31.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 86.214 34.107 -31.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 87.529 34.176 -30.464 1.00 0.00 H new ATOM 1338 N ALA A 105 83.155 36.440 -24.843 1.00 0.00 N ATOM 1339 CA ALA A 105 82.787 37.205 -23.647 1.00 0.00 C ATOM 1340 C ALA A 105 82.256 36.296 -22.531 1.00 0.00 C ATOM 1341 O ALA A 105 82.610 36.466 -21.365 1.00 0.00 O ATOM 1342 CB ALA A 105 81.792 38.307 -24.034 1.00 0.00 C ATOM 0 H ALA A 105 82.584 36.660 -25.659 1.00 0.00 H new ATOM 0 HA ALA A 105 83.679 37.680 -23.239 1.00 0.00 H new ATOM 0 HB1 ALA A 105 81.517 38.877 -23.147 1.00 0.00 H new ATOM 0 HB2 ALA A 105 82.252 38.972 -24.764 1.00 0.00 H new ATOM 0 HB3 ALA A 105 80.899 37.856 -24.466 1.00 0.00 H new ATOM 1348 N ILE A 106 81.472 35.277 -22.889 1.00 0.00 N ATOM 1349 CA ILE A 106 80.905 34.317 -21.934 1.00 0.00 C ATOM 1350 C ILE A 106 82.017 33.402 -21.416 1.00 0.00 C ATOM 1351 O ILE A 106 82.150 33.249 -20.207 1.00 0.00 O ATOM 1352 CB ILE A 106 79.706 33.566 -22.563 1.00 0.00 C ATOM 1353 CG1 ILE A 106 78.449 34.462 -22.632 1.00 0.00 C ATOM 1354 CG2 ILE A 106 79.323 32.301 -21.769 1.00 0.00 C ATOM 1355 CD1 ILE A 106 78.569 35.741 -23.473 1.00 0.00 C ATOM 0 H ILE A 106 81.209 35.092 -23.857 1.00 0.00 H new ATOM 0 HA ILE A 106 80.496 34.835 -21.066 1.00 0.00 H new ATOM 0 HB ILE A 106 80.034 33.287 -23.564 1.00 0.00 H new ATOM 0 HG12 ILE A 106 77.627 33.867 -23.030 1.00 0.00 H new ATOM 0 HG13 ILE A 106 78.175 34.745 -21.616 1.00 0.00 H new ATOM 0 HG21 ILE A 106 78.477 31.811 -22.251 1.00 0.00 H new ATOM 0 HG22 ILE A 106 80.172 31.617 -21.742 1.00 0.00 H new ATOM 0 HG23 ILE A 106 79.049 32.579 -20.751 1.00 0.00 H new ATOM 0 HD11 ILE A 106 77.625 36.285 -23.445 1.00 0.00 H new ATOM 0 HD12 ILE A 106 79.362 36.370 -23.068 1.00 0.00 H new ATOM 0 HD13 ILE A 106 78.805 35.478 -24.504 1.00 0.00 H new ATOM 1367 N PHE A 107 82.877 32.888 -22.300 1.00 0.00 N ATOM 1368 CA PHE A 107 84.046 32.084 -21.908 1.00 0.00 C ATOM 1369 C PHE A 107 84.949 32.823 -20.904 1.00 0.00 C ATOM 1370 O PHE A 107 85.366 32.254 -19.894 1.00 0.00 O ATOM 1371 CB PHE A 107 84.904 31.738 -23.137 1.00 0.00 C ATOM 1372 CG PHE A 107 84.268 31.048 -24.329 1.00 0.00 C ATOM 1373 CD1 PHE A 107 83.031 30.374 -24.255 1.00 0.00 C ATOM 1374 CD2 PHE A 107 84.980 31.064 -25.543 1.00 0.00 C ATOM 1375 CE1 PHE A 107 82.517 29.720 -25.390 1.00 0.00 C ATOM 1376 CE2 PHE A 107 84.467 30.407 -26.677 1.00 0.00 C ATOM 1377 CZ PHE A 107 83.238 29.732 -26.597 1.00 0.00 C ATOM 0 H PHE A 107 82.786 33.015 -23.308 1.00 0.00 H new ATOM 0 HA PHE A 107 83.651 31.181 -21.443 1.00 0.00 H new ATOM 0 HB2 PHE A 107 85.347 32.667 -23.497 1.00 0.00 H new ATOM 0 HB3 PHE A 107 85.723 31.106 -22.794 1.00 0.00 H new ATOM 0 HD1 PHE A 107 82.478 30.360 -23.327 1.00 0.00 H new ATOM 0 HD2 PHE A 107 85.925 31.583 -25.605 1.00 0.00 H new ATOM 0 HE1 PHE A 107 81.568 29.208 -25.334 1.00 0.00 H new ATOM 0 HE2 PHE A 107 85.017 30.422 -27.606 1.00 0.00 H new ATOM 0 HZ PHE A 107 82.846 29.221 -27.464 1.00 0.00 H new ATOM 1387 N ARG A 108 85.250 34.102 -21.182 1.00 0.00 N ATOM 1388 CA ARG A 108 86.210 34.914 -20.433 1.00 0.00 C ATOM 1389 C ARG A 108 85.651 35.480 -19.123 1.00 0.00 C ATOM 1390 O ARG A 108 86.419 35.640 -18.174 1.00 0.00 O ATOM 1391 CB ARG A 108 86.740 35.974 -21.417 1.00 0.00 C ATOM 1392 CG ARG A 108 87.989 36.706 -20.913 1.00 0.00 C ATOM 1393 CD ARG A 108 87.690 37.971 -20.092 1.00 0.00 C ATOM 1394 NE ARG A 108 88.899 38.457 -19.398 1.00 0.00 N ATOM 1395 CZ ARG A 108 89.363 38.073 -18.219 1.00 0.00 C ATOM 1396 NH1 ARG A 108 88.785 37.155 -17.494 1.00 0.00 N ATOM 1397 NH2 ARG A 108 90.444 38.618 -17.738 1.00 0.00 N ATOM 0 H ARG A 108 84.819 34.609 -21.955 1.00 0.00 H new ATOM 0 HA ARG A 108 87.036 34.301 -20.072 1.00 0.00 H new ATOM 0 HB2 ARG A 108 86.969 35.493 -22.368 1.00 0.00 H new ATOM 0 HB3 ARG A 108 85.954 36.704 -21.610 1.00 0.00 H new ATOM 0 HG2 ARG A 108 88.576 36.020 -20.302 1.00 0.00 H new ATOM 0 HG3 ARG A 108 88.606 36.979 -21.769 1.00 0.00 H new ATOM 0 HD2 ARG A 108 87.306 38.752 -20.749 1.00 0.00 H new ATOM 0 HD3 ARG A 108 86.910 37.757 -19.362 1.00 0.00 H new ATOM 0 HE ARG A 108 89.440 39.172 -19.884 1.00 0.00 H new ATOM 0 HH11 ARG A 108 87.937 36.699 -17.830 1.00 0.00 H new ATOM 0 HH12 ARG A 108 89.181 36.893 -16.591 1.00 0.00 H new ATOM 0 HH21 ARG A 108 90.931 39.339 -18.270 1.00 0.00 H new ATOM 0 HH22 ARG A 108 90.803 38.323 -16.830 1.00 0.00 H new ATOM 1411 N ARG A 109 84.345 35.767 -19.046 1.00 0.00 N ATOM 1412 CA ARG A 109 83.666 36.193 -17.799 1.00 0.00 C ATOM 1413 C ARG A 109 83.271 35.013 -16.903 1.00 0.00 C ATOM 1414 O ARG A 109 83.304 35.138 -15.680 1.00 0.00 O ATOM 1415 CB ARG A 109 82.428 37.041 -18.138 1.00 0.00 C ATOM 1416 CG ARG A 109 82.811 38.396 -18.756 1.00 0.00 C ATOM 1417 CD ARG A 109 81.560 39.146 -19.219 1.00 0.00 C ATOM 1418 NE ARG A 109 81.921 40.394 -19.927 1.00 0.00 N ATOM 1419 CZ ARG A 109 81.277 40.955 -20.936 1.00 0.00 C ATOM 1420 NH1 ARG A 109 80.157 40.463 -21.381 1.00 0.00 N ATOM 1421 NH2 ARG A 109 81.753 42.013 -21.523 1.00 0.00 N ATOM 0 H ARG A 109 83.719 35.712 -19.849 1.00 0.00 H new ATOM 0 HA ARG A 109 84.381 36.791 -17.234 1.00 0.00 H new ATOM 0 HB2 ARG A 109 81.792 36.492 -18.832 1.00 0.00 H new ATOM 0 HB3 ARG A 109 81.843 37.207 -17.233 1.00 0.00 H new ATOM 0 HG2 ARG A 109 83.352 38.996 -18.025 1.00 0.00 H new ATOM 0 HG3 ARG A 109 83.483 38.241 -19.600 1.00 0.00 H new ATOM 0 HD2 ARG A 109 80.972 38.507 -19.878 1.00 0.00 H new ATOM 0 HD3 ARG A 109 80.933 39.380 -18.359 1.00 0.00 H new ATOM 0 HE ARG A 109 82.759 40.875 -19.601 1.00 0.00 H new ATOM 0 HH11 ARG A 109 79.760 39.628 -20.950 1.00 0.00 H new ATOM 0 HH12 ARG A 109 79.677 40.912 -22.161 1.00 0.00 H new ATOM 0 HH21 ARG A 109 82.633 42.420 -21.206 1.00 0.00 H new ATOM 0 HH22 ARG A 109 81.246 42.436 -22.301 1.00 0.00 H new ATOM 1435 N TYR A 110 82.938 33.872 -17.512 1.00 0.00 N ATOM 1436 CA TYR A 110 82.409 32.673 -16.854 1.00 0.00 C ATOM 1437 C TYR A 110 83.244 31.429 -17.224 1.00 0.00 C ATOM 1438 O TYR A 110 82.795 30.581 -18.001 1.00 0.00 O ATOM 1439 CB TYR A 110 80.914 32.542 -17.199 1.00 0.00 C ATOM 1440 CG TYR A 110 80.109 33.792 -16.901 1.00 0.00 C ATOM 1441 CD1 TYR A 110 79.993 34.252 -15.577 1.00 0.00 C ATOM 1442 CD2 TYR A 110 79.539 34.530 -17.956 1.00 0.00 C ATOM 1443 CE1 TYR A 110 79.332 35.468 -15.312 1.00 0.00 C ATOM 1444 CE2 TYR A 110 78.858 35.736 -17.693 1.00 0.00 C ATOM 1445 CZ TYR A 110 78.758 36.210 -16.365 1.00 0.00 C ATOM 1446 OH TYR A 110 78.105 37.373 -16.089 1.00 0.00 O ATOM 0 H TYR A 110 83.034 33.753 -18.520 1.00 0.00 H new ATOM 0 HA TYR A 110 82.491 32.760 -15.771 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.814 32.300 -18.257 1.00 0.00 H new ATOM 0 HB3 TYR A 110 80.493 31.707 -16.639 1.00 0.00 H new ATOM 0 HD1 TYR A 110 80.410 33.674 -14.765 1.00 0.00 H new ATOM 0 HD2 TYR A 110 79.624 34.171 -18.971 1.00 0.00 H new ATOM 0 HE1 TYR A 110 79.265 35.833 -14.298 1.00 0.00 H new ATOM 0 HE2 TYR A 110 78.414 36.296 -18.503 1.00 0.00 H new ATOM 0 HH TYR A 110 77.768 37.764 -16.922 1.00 0.00 H new ATOM 1456 N PRO A 111 84.468 31.283 -16.674 1.00 0.00 N ATOM 1457 CA PRO A 111 85.376 30.180 -17.014 1.00 0.00 C ATOM 1458 C PRO A 111 84.871 28.795 -16.564 1.00 0.00 C ATOM 1459 O PRO A 111 85.392 27.776 -17.021 1.00 0.00 O ATOM 1460 CB PRO A 111 86.714 30.546 -16.361 1.00 0.00 C ATOM 1461 CG PRO A 111 86.303 31.403 -15.166 1.00 0.00 C ATOM 1462 CD PRO A 111 85.102 32.173 -15.708 1.00 0.00 C ATOM 0 HA PRO A 111 85.459 30.076 -18.096 1.00 0.00 H new ATOM 0 HB2 PRO A 111 87.264 29.659 -16.048 1.00 0.00 H new ATOM 0 HB3 PRO A 111 87.359 31.096 -17.047 1.00 0.00 H new ATOM 0 HG2 PRO A 111 86.038 30.794 -14.302 1.00 0.00 H new ATOM 0 HG3 PRO A 111 87.105 32.071 -14.851 1.00 0.00 H new ATOM 0 HD2 PRO A 111 84.412 32.437 -14.907 1.00 0.00 H new ATOM 0 HD3 PRO A 111 85.414 33.105 -16.180 1.00 0.00 H new ATOM 1470 N HIS A 112 83.838 28.736 -15.710 1.00 0.00 N ATOM 1471 CA HIS A 112 83.131 27.496 -15.358 1.00 0.00 C ATOM 1472 C HIS A 112 82.217 26.977 -16.483 1.00 0.00 C ATOM 1473 O HIS A 112 81.900 25.785 -16.525 1.00 0.00 O ATOM 1474 CB HIS A 112 82.308 27.745 -14.086 1.00 0.00 C ATOM 1475 CG HIS A 112 81.001 28.480 -14.306 1.00 0.00 C ATOM 1476 ND1 HIS A 112 80.847 29.805 -14.739 1.00 0.00 N ATOM 1477 CD2 HIS A 112 79.767 27.934 -14.111 1.00 0.00 C ATOM 1478 CE1 HIS A 112 79.517 30.027 -14.759 1.00 0.00 C ATOM 1479 NE2 HIS A 112 78.858 28.930 -14.370 1.00 0.00 N ATOM 0 H HIS A 112 83.465 29.560 -15.238 1.00 0.00 H new ATOM 0 HA HIS A 112 83.881 26.723 -15.194 1.00 0.00 H new ATOM 0 HB2 HIS A 112 82.094 26.785 -13.616 1.00 0.00 H new ATOM 0 HB3 HIS A 112 82.915 28.316 -13.384 1.00 0.00 H new ATOM 0 HD2 HIS A 112 79.548 26.920 -13.812 1.00 0.00 H new ATOM 0 HE1 HIS A 112 79.051 30.957 -15.048 1.00 0.00 H new ATOM 0 HE2 HIS A 112 77.845 28.847 -14.280 1.00 0.00 H new ATOM 1487 N LEU A 113 81.780 27.869 -17.378 1.00 0.00 N ATOM 1488 CA LEU A 113 80.732 27.643 -18.366 1.00 0.00 C ATOM 1489 C LEU A 113 81.281 26.997 -19.659 1.00 0.00 C ATOM 1490 O LEU A 113 80.605 26.164 -20.270 1.00 0.00 O ATOM 1491 CB LEU A 113 80.079 29.028 -18.591 1.00 0.00 C ATOM 1492 CG LEU A 113 78.584 29.074 -18.920 1.00 0.00 C ATOM 1493 CD1 LEU A 113 78.307 28.467 -20.287 1.00 0.00 C ATOM 1494 CD2 LEU A 113 77.737 28.391 -17.854 1.00 0.00 C ATOM 0 H LEU A 113 82.169 28.811 -17.432 1.00 0.00 H new ATOM 0 HA LEU A 113 79.990 26.924 -18.020 1.00 0.00 H new ATOM 0 HB2 LEU A 113 80.241 29.623 -17.693 1.00 0.00 H new ATOM 0 HB3 LEU A 113 80.615 29.522 -19.402 1.00 0.00 H new ATOM 0 HG LEU A 113 78.299 30.126 -18.939 1.00 0.00 H new ATOM 0 HD11 LEU A 113 77.238 28.512 -20.495 1.00 0.00 H new ATOM 0 HD12 LEU A 113 78.850 29.025 -21.050 1.00 0.00 H new ATOM 0 HD13 LEU A 113 78.635 27.427 -20.297 1.00 0.00 H new ATOM 0 HD21 LEU A 113 76.685 28.450 -18.132 1.00 0.00 H new ATOM 0 HD22 LEU A 113 78.032 27.345 -17.770 1.00 0.00 H new ATOM 0 HD23 LEU A 113 77.887 28.889 -16.896 1.00 0.00 H new ATOM 1506 N ARG A 114 82.520 27.344 -20.044 1.00 0.00 N ATOM 1507 CA ARG A 114 83.248 26.792 -21.202 1.00 0.00 C ATOM 1508 C ARG A 114 83.973 25.485 -20.830 1.00 0.00 C ATOM 1509 O ARG A 114 85.018 25.537 -20.136 1.00 0.00 O ATOM 1510 CB ARG A 114 84.169 27.885 -21.781 1.00 0.00 C ATOM 1511 CG ARG A 114 84.731 27.623 -23.195 1.00 0.00 C ATOM 1512 CD ARG A 114 85.626 26.386 -23.362 1.00 0.00 C ATOM 1513 NE ARG A 114 86.626 26.289 -22.288 1.00 0.00 N ATOM 1514 CZ ARG A 114 87.895 26.635 -22.291 1.00 0.00 C ATOM 1515 NH1 ARG A 114 88.491 27.119 -23.342 1.00 0.00 N ATOM 1516 NH2 ARG A 114 88.595 26.501 -21.205 1.00 0.00 N ATOM 1517 OXT ARG A 114 83.503 24.405 -21.253 1.00 0.00 O ATOM 0 H ARG A 114 83.064 28.043 -19.539 1.00 0.00 H new ATOM 0 HA ARG A 114 82.552 26.508 -21.991 1.00 0.00 H new ATOM 0 HB2 ARG A 114 83.616 28.824 -21.801 1.00 0.00 H new ATOM 0 HB3 ARG A 114 85.008 28.023 -21.099 1.00 0.00 H new ATOM 0 HG2 ARG A 114 83.891 27.531 -23.884 1.00 0.00 H new ATOM 0 HG3 ARG A 114 85.301 28.500 -23.503 1.00 0.00 H new ATOM 0 HD2 ARG A 114 85.008 25.488 -23.366 1.00 0.00 H new ATOM 0 HD3 ARG A 114 86.131 26.430 -24.327 1.00 0.00 H new ATOM 0 HE ARG A 114 86.285 25.895 -21.411 1.00 0.00 H new ATOM 0 HH11 ARG A 114 87.971 27.244 -24.211 1.00 0.00 H new ATOM 0 HH12 ARG A 114 89.478 27.374 -23.297 1.00 0.00 H new ATOM 0 HH21 ARG A 114 88.160 26.130 -20.360 1.00 0.00 H new ATOM 0 HH22 ARG A 114 89.580 26.766 -21.197 1.00 0.00 H new TER 1531 ARG A 114