USER MOD reduce.3.24.130724 H: found=0, std=0, add=1114, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1110 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 81 ASN : amide:sc=-0.00922 K(o=-0.25,f=0.58) USER MOD Set 1.2: A 98 ASN : amide:sc= -0.239 K(o=-0.25,f=0.58) USER MOD Set 2.1: A 46 LYS NZ :NH3+ 156:sc= 0.00233 (180deg=0) USER MOD Set 2.2: A 49 TYR OH : rot 180:sc= -0.0946 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.231 K(o=-0.23,f=-2.1!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HE2:sc= 0.471 K(o=0.47,f=-2.2!) USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -162:sc= 1.15 (180deg=0.926) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 150:sc= 0.332 (180deg=0.284) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.175 K(o=-0.18,f=-4.4!) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -175:sc=-0.00238 (180deg=-0.0441) USER MOD Single : A 69 HIS : no HD1:sc= -0.0768 X(o=-0.077,f=0) USER MOD Single : A 82 ASN : amide:sc= 0.668 K(o=0.67,f=0) USER MOD Single : A 83 THR OG1 : rot 71:sc= 1.09 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.135 USER MOD Single : A 91 MET CE :methyl 180:sc= -0.543 (180deg=-0.543) USER MOD Single : A 93 GLN : amide:sc=-0.00851 X(o=-0.0085,f=0) USER MOD Single : A 95 TYR OH : rot 130:sc= -0.0894 USER MOD Single : A 99 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.037) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= -0.0909 USER MOD Single : A 109 TYR OH : rot 159:sc= 0.275 USER MOD Single : A 110 SER OG : rot 85:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0.0732 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : B 724 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 726 SER OG : rot 180:sc= 0.0234 USER MOD Single : B 728 SER OG : rot 180:sc= 0 USER MOD Single : B 729 SER OG : rot 180:sc= 0 USER MOD Single : B 732 TYR OH : rot 130:sc= 0 USER MOD Single : B 739 SER OG : rot 180:sc= -0.208 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -7.353 1.904 -17.064 1.00 0.00 N ATOM 2 CA GLY A -3 -6.085 2.369 -16.486 1.00 0.00 C ATOM 3 C GLY A -3 -6.369 3.388 -15.412 1.00 0.00 C ATOM 4 O GLY A -3 -6.583 3.007 -14.264 1.00 0.00 O ATOM 0 H1 GLY A -3 -7.159 1.201 -17.805 1.00 0.00 H new ATOM 0 H2 GLY A -3 -7.936 1.471 -16.319 1.00 0.00 H new ATOM 0 H3 GLY A -3 -7.863 2.711 -17.477 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -5.533 1.527 -16.068 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -5.458 2.807 -17.262 1.00 0.00 H new ATOM 8 N SER A -2 -6.259 4.661 -15.785 1.00 0.00 N ATOM 9 CA SER A -2 -6.506 5.876 -15.010 1.00 0.00 C ATOM 10 C SER A -2 -6.421 5.692 -13.478 1.00 0.00 C ATOM 11 O SER A -2 -7.444 5.747 -12.781 1.00 0.00 O ATOM 12 CB SER A -2 -7.838 6.502 -15.498 1.00 0.00 C ATOM 13 OG SER A -2 -8.544 5.639 -16.384 1.00 0.00 O ATOM 0 H SER A -2 -5.965 4.891 -16.734 1.00 0.00 H new ATOM 0 HA SER A -2 -5.692 6.576 -15.198 1.00 0.00 H new ATOM 0 HB2 SER A -2 -8.467 6.730 -14.638 1.00 0.00 H new ATOM 0 HB3 SER A -2 -7.631 7.446 -16.001 1.00 0.00 H new ATOM 0 HG SER A -2 -9.377 6.071 -16.666 1.00 0.00 H new ATOM 19 N PRO A -1 -5.212 5.472 -12.925 1.00 0.00 N ATOM 20 CA PRO A -1 -5.040 5.293 -11.491 1.00 0.00 C ATOM 21 C PRO A -1 -5.329 6.592 -10.731 1.00 0.00 C ATOM 22 O PRO A -1 -5.492 7.660 -11.331 1.00 0.00 O ATOM 23 CB PRO A -1 -3.595 4.823 -11.307 1.00 0.00 C ATOM 24 CG PRO A -1 -2.872 5.434 -12.503 1.00 0.00 C ATOM 25 CD PRO A -1 -3.927 5.386 -13.606 1.00 0.00 C ATOM 0 HA PRO A -1 -5.741 4.563 -11.085 1.00 0.00 H new ATOM 0 HB2 PRO A -1 -3.176 5.171 -10.363 1.00 0.00 H new ATOM 0 HB3 PRO A -1 -3.523 3.735 -11.306 1.00 0.00 H new ATOM 0 HG2 PRO A -1 -2.547 6.454 -12.300 1.00 0.00 H new ATOM 0 HG3 PRO A -1 -1.982 4.864 -12.771 1.00 0.00 H new ATOM 0 HD2 PRO A -1 -3.799 6.211 -14.307 1.00 0.00 H new ATOM 0 HD3 PRO A -1 -3.850 4.464 -14.182 1.00 0.00 H new ATOM 33 N GLU A 0 -5.401 6.481 -9.407 1.00 0.00 N ATOM 34 CA GLU A 0 -5.663 7.600 -8.516 1.00 0.00 C ATOM 35 C GLU A 0 -4.382 8.411 -8.268 1.00 0.00 C ATOM 36 O GLU A 0 -3.268 7.936 -8.508 1.00 0.00 O ATOM 37 CB GLU A 0 -6.205 7.064 -7.181 1.00 0.00 C ATOM 38 CG GLU A 0 -7.484 6.222 -7.314 1.00 0.00 C ATOM 39 CD GLU A 0 -8.647 7.035 -7.870 1.00 0.00 C ATOM 40 OE1 GLU A 0 -9.275 7.765 -7.070 1.00 0.00 O ATOM 41 OE2 GLU A 0 -8.955 6.954 -9.081 1.00 0.00 O ATOM 0 H GLU A 0 -5.276 5.594 -8.918 1.00 0.00 H new ATOM 0 HA GLU A 0 -6.399 8.257 -8.980 1.00 0.00 H new ATOM 0 HB2 GLU A 0 -5.433 6.460 -6.705 1.00 0.00 H new ATOM 0 HB3 GLU A 0 -6.405 7.906 -6.518 1.00 0.00 H new ATOM 0 HG2 GLU A 0 -7.292 5.371 -7.967 1.00 0.00 H new ATOM 0 HG3 GLU A 0 -7.756 5.820 -6.338 1.00 0.00 H new ATOM 48 N PHE A 1 -4.553 9.628 -7.747 1.00 0.00 N ATOM 49 CA PHE A 1 -3.498 10.585 -7.407 1.00 0.00 C ATOM 50 C PHE A 1 -3.789 11.167 -6.015 1.00 0.00 C ATOM 51 O PHE A 1 -4.656 10.645 -5.302 1.00 0.00 O ATOM 52 CB PHE A 1 -3.381 11.675 -8.485 1.00 0.00 C ATOM 53 CG PHE A 1 -3.201 11.128 -9.881 1.00 0.00 C ATOM 54 CD1 PHE A 1 -1.945 10.661 -10.315 1.00 0.00 C ATOM 55 CD2 PHE A 1 -4.313 11.036 -10.731 1.00 0.00 C ATOM 56 CE1 PHE A 1 -1.812 10.078 -11.587 1.00 0.00 C ATOM 57 CE2 PHE A 1 -4.174 10.474 -12.004 1.00 0.00 C ATOM 58 CZ PHE A 1 -2.930 9.977 -12.432 1.00 0.00 C ATOM 0 H PHE A 1 -5.483 9.992 -7.540 1.00 0.00 H new ATOM 0 HA PHE A 1 -2.532 10.082 -7.375 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -4.276 12.297 -8.460 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -2.537 12.322 -8.246 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -1.084 10.751 -9.670 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -5.276 11.399 -10.403 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -0.852 9.708 -11.914 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -5.028 10.421 -12.663 1.00 0.00 H new ATOM 0 HZ PHE A 1 -2.834 9.520 -13.406 1.00 0.00 H new ATOM 68 N LYS A 2 -3.105 12.259 -5.646 1.00 0.00 N ATOM 69 CA LYS A 2 -3.196 12.988 -4.374 1.00 0.00 C ATOM 70 C LYS A 2 -2.445 12.198 -3.288 1.00 0.00 C ATOM 71 O LYS A 2 -1.708 11.264 -3.608 1.00 0.00 O ATOM 72 CB LYS A 2 -4.658 13.365 -4.027 1.00 0.00 C ATOM 73 CG LYS A 2 -5.412 14.088 -5.171 1.00 0.00 C ATOM 74 CD LYS A 2 -6.927 14.154 -4.923 1.00 0.00 C ATOM 75 CE LYS A 2 -7.629 12.804 -5.158 1.00 0.00 C ATOM 76 NZ LYS A 2 -8.254 12.669 -6.490 1.00 0.00 N ATOM 0 H LYS A 2 -2.425 12.686 -6.274 1.00 0.00 H new ATOM 0 HA LYS A 2 -2.699 13.955 -4.455 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -5.203 12.459 -3.763 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.657 14.005 -3.145 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -5.020 15.099 -5.279 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.223 13.571 -6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -7.109 14.480 -3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -7.366 14.906 -5.579 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -6.902 12.002 -5.027 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -8.395 12.668 -4.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -8.704 11.735 -6.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -8.972 13.411 -6.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -7.526 12.766 -7.226 1.00 0.00 H new ATOM 90 N PHE A 3 -2.530 12.606 -2.027 1.00 0.00 N ATOM 91 CA PHE A 3 -1.888 11.971 -0.878 1.00 0.00 C ATOM 92 C PHE A 3 -2.948 11.730 0.198 1.00 0.00 C ATOM 93 O PHE A 3 -4.096 12.176 0.059 1.00 0.00 O ATOM 94 CB PHE A 3 -0.782 12.887 -0.329 1.00 0.00 C ATOM 95 CG PHE A 3 0.386 13.183 -1.250 1.00 0.00 C ATOM 96 CD1 PHE A 3 1.079 12.129 -1.873 1.00 0.00 C ATOM 97 CD2 PHE A 3 0.870 14.501 -1.372 1.00 0.00 C ATOM 98 CE1 PHE A 3 2.279 12.373 -2.558 1.00 0.00 C ATOM 99 CE2 PHE A 3 2.056 14.753 -2.083 1.00 0.00 C ATOM 100 CZ PHE A 3 2.770 13.686 -2.654 1.00 0.00 C ATOM 0 H PHE A 3 -3.074 13.428 -1.764 1.00 0.00 H new ATOM 0 HA PHE A 3 -1.440 11.023 -1.176 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -1.238 13.835 -0.044 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -0.389 12.436 0.582 1.00 0.00 H new ATOM 0 HD1 PHE A 3 0.684 11.125 -1.824 1.00 0.00 H new ATOM 0 HD2 PHE A 3 0.329 15.318 -0.919 1.00 0.00 H new ATOM 0 HE1 PHE A 3 2.822 11.556 -3.009 1.00 0.00 H new ATOM 0 HE2 PHE A 3 2.418 15.765 -2.190 1.00 0.00 H new ATOM 0 HZ PHE A 3 3.700 13.876 -3.169 1.00 0.00 H new ATOM 110 N GLN A 4 -2.588 11.031 1.280 1.00 0.00 N ATOM 111 CA GLN A 4 -3.531 10.779 2.371 1.00 0.00 C ATOM 112 C GLN A 4 -3.936 12.104 3.038 1.00 0.00 C ATOM 113 O GLN A 4 -5.075 12.229 3.471 1.00 0.00 O ATOM 114 CB GLN A 4 -2.968 9.773 3.388 1.00 0.00 C ATOM 115 CG GLN A 4 -2.763 8.383 2.756 1.00 0.00 C ATOM 116 CD GLN A 4 -2.778 7.203 3.734 1.00 0.00 C ATOM 117 OE1 GLN A 4 -3.064 6.085 3.335 1.00 0.00 O ATOM 118 NE2 GLN A 4 -2.480 7.363 5.014 1.00 0.00 N ATOM 0 H GLN A 4 -1.659 10.634 1.422 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.428 10.324 1.951 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -2.018 10.140 3.777 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -3.649 9.691 4.235 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -3.542 8.224 2.011 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.810 8.381 2.227 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -2.238 8.288 5.370 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -2.492 6.561 5.645 1.00 0.00 H new ATOM 127 N TYR A 5 -3.066 13.126 2.993 1.00 0.00 N ATOM 128 CA TYR A 5 -3.262 14.466 3.553 1.00 0.00 C ATOM 129 C TYR A 5 -4.579 15.119 3.109 1.00 0.00 C ATOM 130 O TYR A 5 -5.009 16.078 3.746 1.00 0.00 O ATOM 131 CB TYR A 5 -2.062 15.367 3.210 1.00 0.00 C ATOM 132 CG TYR A 5 -1.747 16.460 4.222 1.00 0.00 C ATOM 133 CD1 TYR A 5 -2.442 17.685 4.201 1.00 0.00 C ATOM 134 CD2 TYR A 5 -0.697 16.280 5.146 1.00 0.00 C ATOM 135 CE1 TYR A 5 -2.073 18.728 5.069 1.00 0.00 C ATOM 136 CE2 TYR A 5 -0.306 17.329 5.999 1.00 0.00 C ATOM 137 CZ TYR A 5 -0.983 18.567 5.950 1.00 0.00 C ATOM 138 OH TYR A 5 -0.591 19.604 6.733 1.00 0.00 O ATOM 0 H TYR A 5 -2.158 13.030 2.539 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.329 14.350 4.635 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.179 14.738 3.096 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -2.247 15.835 2.243 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -3.264 17.824 3.514 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.188 15.329 5.200 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.626 19.656 5.061 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.511 17.187 6.691 1.00 0.00 H new ATOM 0 HH TYR A 5 0.172 19.329 7.282 1.00 0.00 H new ATOM 148 N LYS A 6 -5.122 14.764 1.936 1.00 0.00 N ATOM 149 CA LYS A 6 -6.397 15.301 1.454 1.00 0.00 C ATOM 150 C LYS A 6 -7.490 14.252 1.634 1.00 0.00 C ATOM 151 O LYS A 6 -8.571 14.578 2.120 1.00 0.00 O ATOM 152 CB LYS A 6 -6.330 15.790 -0.007 1.00 0.00 C ATOM 153 CG LYS A 6 -5.817 17.238 -0.097 1.00 0.00 C ATOM 154 CD LYS A 6 -6.021 17.883 -1.480 1.00 0.00 C ATOM 155 CE LYS A 6 -4.971 17.432 -2.502 1.00 0.00 C ATOM 156 NZ LYS A 6 -5.078 18.153 -3.789 1.00 0.00 N ATOM 0 H LYS A 6 -4.688 14.097 1.297 1.00 0.00 H new ATOM 0 HA LYS A 6 -6.633 16.181 2.052 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.674 15.135 -0.581 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.320 15.725 -0.459 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -6.326 17.842 0.654 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.755 17.254 0.148 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -7.015 17.632 -1.851 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.983 18.968 -1.380 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.976 17.586 -2.086 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -5.080 16.362 -2.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.345 17.809 -4.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -6.017 17.986 -4.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.947 19.172 -3.628 1.00 0.00 H new ATOM 170 N GLU A 7 -7.201 13.007 1.251 1.00 0.00 N ATOM 171 CA GLU A 7 -8.122 11.876 1.308 1.00 0.00 C ATOM 172 C GLU A 7 -8.701 11.576 2.698 1.00 0.00 C ATOM 173 O GLU A 7 -9.745 10.928 2.799 1.00 0.00 O ATOM 174 CB GLU A 7 -7.426 10.659 0.683 1.00 0.00 C ATOM 175 CG GLU A 7 -8.460 9.603 0.277 1.00 0.00 C ATOM 176 CD GLU A 7 -7.906 8.474 -0.584 1.00 0.00 C ATOM 177 OE1 GLU A 7 -7.029 8.716 -1.451 1.00 0.00 O ATOM 178 OE2 GLU A 7 -8.318 7.311 -0.382 1.00 0.00 O ATOM 0 H GLU A 7 -6.286 12.752 0.880 1.00 0.00 H new ATOM 0 HA GLU A 7 -9.008 12.143 0.733 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -6.851 10.969 -0.190 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.720 10.231 1.394 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.896 9.174 1.179 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.268 10.094 -0.266 1.00 0.00 H new ATOM 185 N ASP A 8 -8.054 12.044 3.765 1.00 0.00 N ATOM 186 CA ASP A 8 -8.488 11.872 5.154 1.00 0.00 C ATOM 187 C ASP A 8 -9.781 12.646 5.443 1.00 0.00 C ATOM 188 O ASP A 8 -10.548 12.243 6.321 1.00 0.00 O ATOM 189 CB ASP A 8 -7.406 12.395 6.112 1.00 0.00 C ATOM 190 CG ASP A 8 -7.259 13.916 6.018 1.00 0.00 C ATOM 191 OD1 ASP A 8 -6.878 14.409 4.935 1.00 0.00 O ATOM 192 OD2 ASP A 8 -7.510 14.655 6.995 1.00 0.00 O ATOM 0 H ASP A 8 -7.184 12.571 3.685 1.00 0.00 H new ATOM 0 HA ASP A 8 -8.662 10.807 5.305 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.659 12.116 7.135 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.452 11.921 5.879 1.00 0.00 H new ATOM 197 N HIS A 9 -10.034 13.752 4.730 1.00 0.00 N ATOM 198 CA HIS A 9 -11.232 14.567 4.912 1.00 0.00 C ATOM 199 C HIS A 9 -12.481 13.774 4.479 1.00 0.00 C ATOM 200 O HIS A 9 -13.330 13.530 5.339 1.00 0.00 O ATOM 201 CB HIS A 9 -11.099 15.932 4.220 1.00 0.00 C ATOM 202 CG HIS A 9 -10.072 16.878 4.796 1.00 0.00 C ATOM 203 ND1 HIS A 9 -9.131 16.629 5.775 1.00 0.00 N ATOM 204 CD2 HIS A 9 -9.909 18.175 4.395 1.00 0.00 C ATOM 205 CE1 HIS A 9 -8.441 17.757 5.977 1.00 0.00 C ATOM 206 NE2 HIS A 9 -8.860 18.728 5.137 1.00 0.00 N ATOM 0 H HIS A 9 -9.406 14.104 4.007 1.00 0.00 H new ATOM 0 HA HIS A 9 -11.352 14.795 5.971 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -10.857 15.761 3.171 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.071 16.425 4.246 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -8.987 15.742 6.258 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -10.488 18.683 3.638 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -7.657 17.875 6.710 1.00 0.00 H new ATOM 214 N PRO A 10 -12.628 13.300 3.219 1.00 0.00 N ATOM 215 CA PRO A 10 -13.788 12.518 2.789 1.00 0.00 C ATOM 216 C PRO A 10 -13.739 11.069 3.332 1.00 0.00 C ATOM 217 O PRO A 10 -13.717 10.091 2.576 1.00 0.00 O ATOM 218 CB PRO A 10 -13.785 12.608 1.259 1.00 0.00 C ATOM 219 CG PRO A 10 -12.306 12.731 0.908 1.00 0.00 C ATOM 220 CD PRO A 10 -11.740 13.519 2.081 1.00 0.00 C ATOM 0 HA PRO A 10 -14.724 12.907 3.190 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.232 11.724 0.805 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.353 13.469 0.907 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.832 11.754 0.811 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.158 13.252 -0.038 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.728 13.188 2.314 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.680 14.580 1.838 1.00 0.00 H new ATOM 228 N PHE A 11 -13.779 10.924 4.657 1.00 0.00 N ATOM 229 CA PHE A 11 -13.759 9.679 5.417 1.00 0.00 C ATOM 230 C PHE A 11 -14.921 8.788 4.979 1.00 0.00 C ATOM 231 O PHE A 11 -14.732 7.597 4.764 1.00 0.00 O ATOM 232 CB PHE A 11 -13.847 10.028 6.910 1.00 0.00 C ATOM 233 CG PHE A 11 -14.150 8.863 7.832 1.00 0.00 C ATOM 234 CD1 PHE A 11 -13.113 8.034 8.288 1.00 0.00 C ATOM 235 CD2 PHE A 11 -15.475 8.592 8.223 1.00 0.00 C ATOM 236 CE1 PHE A 11 -13.398 6.948 9.133 1.00 0.00 C ATOM 237 CE2 PHE A 11 -15.757 7.505 9.067 1.00 0.00 C ATOM 238 CZ PHE A 11 -14.718 6.680 9.524 1.00 0.00 C ATOM 0 H PHE A 11 -13.830 11.737 5.271 1.00 0.00 H new ATOM 0 HA PHE A 11 -12.837 9.127 5.234 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -12.902 10.477 7.217 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -14.619 10.786 7.044 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -12.094 8.231 7.989 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -16.278 9.223 7.872 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -12.596 6.316 9.484 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -16.775 7.304 9.365 1.00 0.00 H new ATOM 0 HZ PHE A 11 -14.933 5.844 10.173 1.00 0.00 H new ATOM 248 N GLU A 12 -16.108 9.366 4.765 1.00 0.00 N ATOM 249 CA GLU A 12 -17.294 8.631 4.328 1.00 0.00 C ATOM 250 C GLU A 12 -16.981 7.807 3.068 1.00 0.00 C ATOM 251 O GLU A 12 -17.318 6.630 2.978 1.00 0.00 O ATOM 252 CB GLU A 12 -18.475 9.609 4.130 1.00 0.00 C ATOM 253 CG GLU A 12 -18.198 10.807 3.198 1.00 0.00 C ATOM 254 CD GLU A 12 -19.405 11.741 3.056 1.00 0.00 C ATOM 255 OE1 GLU A 12 -19.839 12.352 4.063 1.00 0.00 O ATOM 256 OE2 GLU A 12 -19.884 11.928 1.911 1.00 0.00 O ATOM 0 H GLU A 12 -16.271 10.365 4.892 1.00 0.00 H new ATOM 0 HA GLU A 12 -17.592 7.919 5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -19.323 9.051 3.733 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -18.774 9.992 5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -17.350 11.373 3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -17.913 10.437 2.213 1.00 0.00 H new ATOM 263 N TYR A 13 -16.314 8.425 2.093 1.00 0.00 N ATOM 264 CA TYR A 13 -15.929 7.810 0.832 1.00 0.00 C ATOM 265 C TYR A 13 -14.839 6.755 1.071 1.00 0.00 C ATOM 266 O TYR A 13 -14.877 5.690 0.452 1.00 0.00 O ATOM 267 CB TYR A 13 -15.478 8.944 -0.101 1.00 0.00 C ATOM 268 CG TYR A 13 -15.374 8.651 -1.585 1.00 0.00 C ATOM 269 CD1 TYR A 13 -16.509 8.739 -2.416 1.00 0.00 C ATOM 270 CD2 TYR A 13 -14.106 8.473 -2.163 1.00 0.00 C ATOM 271 CE1 TYR A 13 -16.371 8.714 -3.818 1.00 0.00 C ATOM 272 CE2 TYR A 13 -13.956 8.470 -3.559 1.00 0.00 C ATOM 273 CZ TYR A 13 -15.083 8.610 -4.396 1.00 0.00 C ATOM 274 OH TYR A 13 -14.897 8.685 -5.743 1.00 0.00 O ATOM 0 H TYR A 13 -16.019 9.399 2.166 1.00 0.00 H new ATOM 0 HA TYR A 13 -16.758 7.278 0.366 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -16.171 9.776 0.027 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.501 9.287 0.240 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -17.491 8.826 -1.975 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -13.242 8.338 -1.530 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -17.245 8.774 -4.450 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -12.974 8.360 -3.994 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.943 8.593 -5.947 1.00 0.00 H new ATOM 284 N ARG A 14 -13.881 7.028 1.971 1.00 0.00 N ATOM 285 CA ARG A 14 -12.796 6.096 2.286 1.00 0.00 C ATOM 286 C ARG A 14 -13.367 4.818 2.897 1.00 0.00 C ATOM 287 O ARG A 14 -13.017 3.724 2.452 1.00 0.00 O ATOM 288 CB ARG A 14 -11.821 6.773 3.280 1.00 0.00 C ATOM 289 CG ARG A 14 -10.540 5.993 3.621 1.00 0.00 C ATOM 290 CD ARG A 14 -9.410 6.115 2.583 1.00 0.00 C ATOM 291 NE ARG A 14 -9.745 5.567 1.256 1.00 0.00 N ATOM 292 CZ ARG A 14 -10.008 4.289 0.965 1.00 0.00 C ATOM 293 NH1 ARG A 14 -9.840 3.357 1.897 1.00 0.00 N ATOM 294 NH2 ARG A 14 -10.437 3.938 -0.243 1.00 0.00 N ATOM 0 H ARG A 14 -13.840 7.900 2.498 1.00 0.00 H new ATOM 0 HA ARG A 14 -12.261 5.835 1.373 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -11.533 7.741 2.870 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.359 6.968 4.208 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -10.167 6.340 4.585 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.794 4.939 3.738 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.145 7.167 2.473 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.526 5.602 2.963 1.00 0.00 H new ATOM 0 HE ARG A 14 -9.780 6.230 0.482 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.513 3.619 2.827 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.039 2.380 1.683 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.570 4.648 -0.963 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.633 2.959 -0.450 1.00 0.00 H new ATOM 308 N LYS A 15 -14.334 4.946 3.806 1.00 0.00 N ATOM 309 CA LYS A 15 -14.973 3.823 4.468 1.00 0.00 C ATOM 310 C LYS A 15 -15.802 3.038 3.478 1.00 0.00 C ATOM 311 O LYS A 15 -15.667 1.818 3.419 1.00 0.00 O ATOM 312 CB LYS A 15 -15.831 4.330 5.635 1.00 0.00 C ATOM 313 CG LYS A 15 -16.257 3.208 6.594 1.00 0.00 C ATOM 314 CD LYS A 15 -17.492 2.401 6.155 1.00 0.00 C ATOM 315 CE LYS A 15 -17.976 1.510 7.303 1.00 0.00 C ATOM 316 NZ LYS A 15 -19.269 0.839 7.040 1.00 0.00 N ATOM 0 H LYS A 15 -14.697 5.852 4.104 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.210 3.155 4.869 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -15.272 5.083 6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -16.720 4.820 5.239 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.420 2.521 6.718 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -16.458 3.645 7.572 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -18.289 3.079 5.850 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.246 1.788 5.288 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.219 0.752 7.505 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -18.069 2.115 8.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -19.679 0.512 7.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -19.921 1.509 6.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -19.116 0.024 6.412 1.00 0.00 H new ATOM 330 N LYS A 16 -16.670 3.706 2.712 1.00 0.00 N ATOM 331 CA LYS A 16 -17.536 3.052 1.734 1.00 0.00 C ATOM 332 C LYS A 16 -16.710 2.180 0.798 1.00 0.00 C ATOM 333 O LYS A 16 -17.032 1.003 0.638 1.00 0.00 O ATOM 334 CB LYS A 16 -18.364 4.102 0.980 1.00 0.00 C ATOM 335 CG LYS A 16 -19.501 4.658 1.861 1.00 0.00 C ATOM 336 CD LYS A 16 -20.038 6.000 1.345 1.00 0.00 C ATOM 337 CE LYS A 16 -20.667 5.921 -0.045 1.00 0.00 C ATOM 338 NZ LYS A 16 -22.010 5.309 -0.034 1.00 0.00 N ATOM 0 H LYS A 16 -16.790 4.718 2.755 1.00 0.00 H new ATOM 0 HA LYS A 16 -18.237 2.394 2.248 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -17.716 4.918 0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.784 3.657 0.078 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -20.315 3.934 1.898 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.138 4.783 2.881 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -20.780 6.378 2.048 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -19.222 6.723 1.324 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -20.734 6.924 -0.465 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -20.015 5.343 -0.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -22.387 5.282 -1.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -21.947 4.341 0.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -22.643 5.873 0.568 1.00 0.00 H new ATOM 352 N GLU A 17 -15.644 2.714 0.200 1.00 0.00 N ATOM 353 CA GLU A 17 -14.823 1.915 -0.700 1.00 0.00 C ATOM 354 C GLU A 17 -14.062 0.835 0.056 1.00 0.00 C ATOM 355 O GLU A 17 -13.960 -0.283 -0.452 1.00 0.00 O ATOM 356 CB GLU A 17 -13.887 2.796 -1.529 1.00 0.00 C ATOM 357 CG GLU A 17 -14.683 3.725 -2.456 1.00 0.00 C ATOM 358 CD GLU A 17 -15.743 3.014 -3.306 1.00 0.00 C ATOM 359 OE1 GLU A 17 -15.538 1.879 -3.789 1.00 0.00 O ATOM 360 OE2 GLU A 17 -16.800 3.650 -3.535 1.00 0.00 O ATOM 0 H GLU A 17 -15.336 3.679 0.321 1.00 0.00 H new ATOM 0 HA GLU A 17 -15.491 1.410 -1.397 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -13.258 3.390 -0.865 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -13.221 2.169 -2.122 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -15.172 4.489 -1.852 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.988 4.239 -3.119 1.00 0.00 H new ATOM 367 N GLY A 18 -13.604 1.107 1.280 1.00 0.00 N ATOM 368 CA GLY A 18 -12.887 0.132 2.089 1.00 0.00 C ATOM 369 C GLY A 18 -13.771 -1.064 2.346 1.00 0.00 C ATOM 370 O GLY A 18 -13.355 -2.205 2.185 1.00 0.00 O ATOM 0 H GLY A 18 -13.723 2.012 1.734 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.976 -0.180 1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.584 0.582 3.034 1.00 0.00 H new ATOM 374 N GLU A 19 -15.022 -0.821 2.714 1.00 0.00 N ATOM 375 CA GLU A 19 -15.990 -1.864 2.957 1.00 0.00 C ATOM 376 C GLU A 19 -16.290 -2.583 1.638 1.00 0.00 C ATOM 377 O GLU A 19 -16.504 -3.801 1.630 1.00 0.00 O ATOM 378 CB GLU A 19 -17.245 -1.222 3.545 1.00 0.00 C ATOM 379 CG GLU A 19 -18.369 -2.247 3.655 1.00 0.00 C ATOM 380 CD GLU A 19 -19.601 -1.589 4.239 1.00 0.00 C ATOM 381 OE1 GLU A 19 -19.640 -1.428 5.477 1.00 0.00 O ATOM 382 OE2 GLU A 19 -20.522 -1.284 3.447 1.00 0.00 O ATOM 0 H GLU A 19 -15.390 0.120 2.852 1.00 0.00 H new ATOM 0 HA GLU A 19 -15.610 -2.602 3.663 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -17.023 -0.811 4.530 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -17.564 -0.390 2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -18.596 -2.660 2.672 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -18.055 -3.079 4.285 1.00 0.00 H new ATOM 389 N LYS A 20 -16.282 -1.864 0.513 1.00 0.00 N ATOM 390 CA LYS A 20 -16.570 -2.474 -0.771 1.00 0.00 C ATOM 391 C LYS A 20 -15.454 -3.448 -1.127 1.00 0.00 C ATOM 392 O LYS A 20 -15.759 -4.600 -1.431 1.00 0.00 O ATOM 393 CB LYS A 20 -16.789 -1.374 -1.829 1.00 0.00 C ATOM 394 CG LYS A 20 -17.502 -1.894 -3.087 1.00 0.00 C ATOM 395 CD LYS A 20 -18.327 -0.777 -3.744 1.00 0.00 C ATOM 396 CE LYS A 20 -19.080 -1.291 -4.980 1.00 0.00 C ATOM 397 NZ LYS A 20 -18.280 -1.187 -6.214 1.00 0.00 N ATOM 0 H LYS A 20 -16.080 -0.865 0.473 1.00 0.00 H new ATOM 0 HA LYS A 20 -17.493 -3.053 -0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.376 -0.567 -1.391 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.825 -0.950 -2.112 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -16.767 -2.275 -3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -18.153 -2.727 -2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -19.039 -0.376 -3.023 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -17.669 0.043 -4.032 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -19.364 -2.331 -4.822 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -20.003 -0.724 -5.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -18.833 -1.547 -7.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.030 -0.192 -6.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -17.411 -1.749 -6.113 1.00 0.00 H new ATOM 411 N ILE A 21 -14.177 -3.071 -0.998 1.00 0.00 N ATOM 412 CA ILE A 21 -13.100 -3.995 -1.340 1.00 0.00 C ATOM 413 C ILE A 21 -12.936 -5.072 -0.258 1.00 0.00 C ATOM 414 O ILE A 21 -12.705 -6.234 -0.603 1.00 0.00 O ATOM 415 CB ILE A 21 -11.810 -3.200 -1.647 1.00 0.00 C ATOM 416 CG1 ILE A 21 -10.662 -4.066 -2.190 1.00 0.00 C ATOM 417 CG2 ILE A 21 -11.263 -2.419 -0.446 1.00 0.00 C ATOM 418 CD1 ILE A 21 -11.031 -4.900 -3.413 1.00 0.00 C ATOM 0 H ILE A 21 -13.873 -2.155 -0.667 1.00 0.00 H new ATOM 0 HA ILE A 21 -13.350 -4.542 -2.249 1.00 0.00 H new ATOM 0 HB ILE A 21 -12.140 -2.503 -2.418 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.823 -3.419 -2.446 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.320 -4.733 -1.399 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.358 -1.887 -0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -12.011 -1.702 -0.107 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -11.031 -3.111 0.363 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.166 -5.481 -3.732 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -11.848 -5.576 -3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.343 -4.240 -4.222 1.00 0.00 H new ATOM 430 N ARG A 22 -13.245 -4.767 1.011 1.00 0.00 N ATOM 431 CA ARG A 22 -13.149 -5.714 2.125 1.00 0.00 C ATOM 432 C ARG A 22 -14.146 -6.827 1.886 1.00 0.00 C ATOM 433 O ARG A 22 -13.803 -7.999 1.971 1.00 0.00 O ATOM 434 CB ARG A 22 -13.398 -5.002 3.474 1.00 0.00 C ATOM 435 CG ARG A 22 -13.497 -5.910 4.718 1.00 0.00 C ATOM 436 CD ARG A 22 -12.256 -6.789 4.886 1.00 0.00 C ATOM 437 NE ARG A 22 -12.241 -7.553 6.147 1.00 0.00 N ATOM 438 CZ ARG A 22 -11.691 -7.216 7.322 1.00 0.00 C ATOM 439 NH1 ARG A 22 -11.155 -6.015 7.513 1.00 0.00 N ATOM 440 NH2 ARG A 22 -11.695 -8.092 8.319 1.00 0.00 N ATOM 0 H ARG A 22 -13.573 -3.843 1.293 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.145 -6.135 2.176 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.593 -4.286 3.637 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.322 -4.430 3.393 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.628 -5.294 5.607 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.381 -6.543 4.636 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.197 -7.484 4.049 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -11.367 -6.160 4.841 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.711 -8.458 6.122 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.157 -5.330 6.758 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -10.742 -5.779 8.415 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -12.114 -9.013 8.187 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -11.279 -7.845 9.217 1.00 0.00 H new ATOM 454 N LYS A 23 -15.395 -6.482 1.579 1.00 0.00 N ATOM 455 CA LYS A 23 -16.408 -7.496 1.344 1.00 0.00 C ATOM 456 C LYS A 23 -16.166 -8.225 0.029 1.00 0.00 C ATOM 457 O LYS A 23 -16.386 -9.437 -0.005 1.00 0.00 O ATOM 458 CB LYS A 23 -17.814 -6.876 1.393 1.00 0.00 C ATOM 459 CG LYS A 23 -18.166 -6.297 2.775 1.00 0.00 C ATOM 460 CD LYS A 23 -18.441 -7.365 3.844 1.00 0.00 C ATOM 461 CE LYS A 23 -18.515 -6.715 5.228 1.00 0.00 C ATOM 462 NZ LYS A 23 -19.684 -5.829 5.392 1.00 0.00 N ATOM 0 H LYS A 23 -15.722 -5.520 1.489 1.00 0.00 H new ATOM 0 HA LYS A 23 -16.339 -8.237 2.141 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -17.883 -6.086 0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -18.549 -7.634 1.124 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -17.347 -5.662 3.112 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -19.044 -5.659 2.678 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -19.377 -7.879 3.624 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -17.653 -8.118 3.829 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -18.550 -7.496 5.988 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -17.605 -6.141 5.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -19.678 -5.420 6.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -19.642 -5.065 4.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -20.557 -6.377 5.256 1.00 0.00 H new ATOM 476 N LYS A 24 -15.702 -7.555 -1.038 1.00 0.00 N ATOM 477 CA LYS A 24 -15.479 -8.227 -2.315 1.00 0.00 C ATOM 478 C LYS A 24 -14.330 -9.229 -2.256 1.00 0.00 C ATOM 479 O LYS A 24 -14.510 -10.370 -2.686 1.00 0.00 O ATOM 480 CB LYS A 24 -15.157 -7.161 -3.383 1.00 0.00 C ATOM 481 CG LYS A 24 -15.469 -7.619 -4.811 1.00 0.00 C ATOM 482 CD LYS A 24 -16.871 -7.171 -5.249 1.00 0.00 C ATOM 483 CE LYS A 24 -18.034 -7.920 -4.581 1.00 0.00 C ATOM 484 NZ LYS A 24 -18.186 -9.298 -5.088 1.00 0.00 N ATOM 0 H LYS A 24 -15.478 -6.560 -1.037 1.00 0.00 H new ATOM 0 HA LYS A 24 -16.385 -8.780 -2.562 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -15.726 -6.257 -3.167 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.102 -6.897 -3.316 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.725 -7.212 -5.496 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -15.397 -8.705 -4.870 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.977 -6.107 -5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.953 -7.293 -6.329 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.872 -7.949 -3.504 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -18.960 -7.370 -4.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -18.984 -9.759 -4.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -18.368 -9.273 -6.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.314 -9.834 -4.904 1.00 0.00 H new ATOM 498 N TYR A 25 -13.189 -8.841 -1.685 1.00 0.00 N ATOM 499 CA TYR A 25 -12.005 -9.676 -1.563 1.00 0.00 C ATOM 500 C TYR A 25 -11.421 -9.559 -0.150 1.00 0.00 C ATOM 501 O TYR A 25 -10.383 -8.921 0.009 1.00 0.00 O ATOM 502 CB TYR A 25 -10.960 -9.309 -2.641 1.00 0.00 C ATOM 503 CG TYR A 25 -11.400 -9.376 -4.096 1.00 0.00 C ATOM 504 CD1 TYR A 25 -11.807 -10.590 -4.681 1.00 0.00 C ATOM 505 CD2 TYR A 25 -11.340 -8.218 -4.893 1.00 0.00 C ATOM 506 CE1 TYR A 25 -12.170 -10.634 -6.041 1.00 0.00 C ATOM 507 CE2 TYR A 25 -11.703 -8.247 -6.248 1.00 0.00 C ATOM 508 CZ TYR A 25 -12.118 -9.461 -6.831 1.00 0.00 C ATOM 509 OH TYR A 25 -12.506 -9.496 -8.138 1.00 0.00 O ATOM 0 H TYR A 25 -13.065 -7.911 -1.285 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.289 -10.715 -1.727 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -10.612 -8.296 -2.441 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -10.103 -9.971 -2.518 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.841 -11.490 -4.085 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.008 -7.289 -4.453 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -12.489 -11.566 -6.483 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.665 -7.345 -6.840 1.00 0.00 H new ATOM 0 HH TYR A 25 -12.408 -8.604 -8.532 1.00 0.00 H new ATOM 519 N PRO A 26 -12.008 -10.181 0.889 1.00 0.00 N ATOM 520 CA PRO A 26 -11.462 -10.107 2.246 1.00 0.00 C ATOM 521 C PRO A 26 -10.100 -10.807 2.328 1.00 0.00 C ATOM 522 O PRO A 26 -9.333 -10.591 3.257 1.00 0.00 O ATOM 523 CB PRO A 26 -12.505 -10.743 3.167 1.00 0.00 C ATOM 524 CG PRO A 26 -13.314 -11.640 2.233 1.00 0.00 C ATOM 525 CD PRO A 26 -13.229 -10.961 0.868 1.00 0.00 C ATOM 0 HA PRO A 26 -11.276 -9.077 2.549 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.036 -11.317 3.967 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -13.133 -9.989 3.642 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -12.903 -12.649 2.199 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -14.348 -11.728 2.567 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -13.208 -11.698 0.065 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.096 -10.324 0.693 1.00 0.00 H new ATOM 533 N ASP A 27 -9.780 -11.660 1.355 1.00 0.00 N ATOM 534 CA ASP A 27 -8.508 -12.373 1.276 1.00 0.00 C ATOM 535 C ASP A 27 -7.369 -11.430 0.848 1.00 0.00 C ATOM 536 O ASP A 27 -6.206 -11.820 0.831 1.00 0.00 O ATOM 537 CB ASP A 27 -8.681 -13.506 0.265 1.00 0.00 C ATOM 538 CG ASP A 27 -7.432 -14.369 0.120 1.00 0.00 C ATOM 539 OD1 ASP A 27 -6.951 -14.930 1.127 1.00 0.00 O ATOM 540 OD2 ASP A 27 -6.993 -14.562 -1.035 1.00 0.00 O ATOM 0 H ASP A 27 -10.412 -11.878 0.584 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.238 -12.770 2.254 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.517 -14.135 0.571 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.939 -13.083 -0.706 1.00 0.00 H new ATOM 545 N ARG A 28 -7.692 -10.197 0.432 1.00 0.00 N ATOM 546 CA ARG A 28 -6.749 -9.170 0.005 1.00 0.00 C ATOM 547 C ARG A 28 -6.963 -7.933 0.869 1.00 0.00 C ATOM 548 O ARG A 28 -8.068 -7.688 1.350 1.00 0.00 O ATOM 549 CB ARG A 28 -6.944 -8.807 -1.480 1.00 0.00 C ATOM 550 CG ARG A 28 -6.233 -9.682 -2.523 1.00 0.00 C ATOM 551 CD ARG A 28 -6.750 -11.119 -2.660 1.00 0.00 C ATOM 552 NE ARG A 28 -6.443 -11.652 -4.003 1.00 0.00 N ATOM 553 CZ ARG A 28 -6.694 -12.892 -4.441 1.00 0.00 C ATOM 554 NH1 ARG A 28 -7.089 -13.840 -3.609 1.00 0.00 N ATOM 555 NH2 ARG A 28 -6.559 -13.189 -5.724 1.00 0.00 N ATOM 0 H ARG A 28 -8.661 -9.881 0.384 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.734 -9.551 0.120 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.013 -8.829 -1.694 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.612 -7.778 -1.621 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.314 -9.194 -3.494 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.173 -9.721 -2.274 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.293 -11.751 -1.898 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.826 -11.143 -2.490 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.996 -11.013 -4.661 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.207 -13.632 -2.617 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.276 -14.780 -3.959 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.262 -12.471 -6.385 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.752 -14.136 -6.051 1.00 0.00 H new ATOM 569 N VAL A 29 -5.935 -7.100 0.975 1.00 0.00 N ATOM 570 CA VAL A 29 -5.936 -5.870 1.742 1.00 0.00 C ATOM 571 C VAL A 29 -5.461 -4.736 0.822 1.00 0.00 C ATOM 572 O VAL A 29 -4.446 -4.895 0.120 1.00 0.00 O ATOM 573 CB VAL A 29 -5.100 -6.045 3.032 1.00 0.00 C ATOM 574 CG1 VAL A 29 -3.750 -6.748 2.826 1.00 0.00 C ATOM 575 CG2 VAL A 29 -4.858 -4.708 3.755 1.00 0.00 C ATOM 0 H VAL A 29 -5.045 -7.274 0.509 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.936 -5.608 2.088 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.716 -6.697 3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.232 -6.828 3.782 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.917 -7.745 2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.141 -6.170 2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.267 -4.882 4.654 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.320 -4.029 3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.815 -4.265 4.030 1.00 0.00 H new ATOM 585 N PRO A 30 -6.200 -3.609 0.767 1.00 0.00 N ATOM 586 CA PRO A 30 -5.838 -2.455 -0.038 1.00 0.00 C ATOM 587 C PRO A 30 -4.715 -1.699 0.693 1.00 0.00 C ATOM 588 O PRO A 30 -4.829 -1.373 1.880 1.00 0.00 O ATOM 589 CB PRO A 30 -7.116 -1.626 -0.159 1.00 0.00 C ATOM 590 CG PRO A 30 -7.845 -1.909 1.142 1.00 0.00 C ATOM 591 CD PRO A 30 -7.419 -3.324 1.519 1.00 0.00 C ATOM 0 HA PRO A 30 -5.466 -2.706 -1.032 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.897 -0.564 -0.274 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -7.708 -1.925 -1.024 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.569 -1.192 1.915 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -8.925 -1.840 1.015 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.239 -3.401 2.591 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.202 -4.042 1.274 1.00 0.00 H new ATOM 599 N VAL A 31 -3.637 -1.400 -0.025 1.00 0.00 N ATOM 600 CA VAL A 31 -2.464 -0.712 0.473 1.00 0.00 C ATOM 601 C VAL A 31 -2.292 0.618 -0.267 1.00 0.00 C ATOM 602 O VAL A 31 -2.474 0.685 -1.488 1.00 0.00 O ATOM 603 CB VAL A 31 -1.252 -1.661 0.370 1.00 0.00 C ATOM 604 CG1 VAL A 31 0.059 -0.993 0.798 1.00 0.00 C ATOM 605 CG2 VAL A 31 -1.449 -2.912 1.245 1.00 0.00 C ATOM 0 H VAL A 31 -3.560 -1.644 -1.012 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.568 -0.451 1.526 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.185 -1.935 -0.683 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.878 -1.706 0.705 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.254 -0.132 0.159 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.021 -0.665 1.834 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.579 -3.562 1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.568 -2.613 2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.339 -3.449 0.917 1.00 0.00 H new ATOM 615 N ILE A 32 -1.937 1.667 0.481 1.00 0.00 N ATOM 616 CA ILE A 32 -1.713 3.030 0.008 1.00 0.00 C ATOM 617 C ILE A 32 -0.209 3.269 0.140 1.00 0.00 C ATOM 618 O ILE A 32 0.341 3.168 1.237 1.00 0.00 O ATOM 619 CB ILE A 32 -2.552 4.048 0.813 1.00 0.00 C ATOM 620 CG1 ILE A 32 -3.992 3.580 1.129 1.00 0.00 C ATOM 621 CG2 ILE A 32 -2.560 5.403 0.079 1.00 0.00 C ATOM 622 CD1 ILE A 32 -4.860 3.232 -0.086 1.00 0.00 C ATOM 0 H ILE A 32 -1.791 1.580 1.487 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.032 3.162 -1.026 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.070 4.149 1.785 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -3.936 2.704 1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.493 4.364 1.697 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.152 6.121 0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.538 5.771 -0.018 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.995 5.277 -0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.848 2.917 0.251 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.958 4.109 -0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.393 2.423 -0.647 1.00 0.00 H new ATOM 634 N VAL A 33 0.461 3.572 -0.970 1.00 0.00 N ATOM 635 CA VAL A 33 1.907 3.777 -1.028 1.00 0.00 C ATOM 636 C VAL A 33 2.342 5.243 -0.930 1.00 0.00 C ATOM 637 O VAL A 33 1.708 6.131 -1.493 1.00 0.00 O ATOM 638 CB VAL A 33 2.385 3.152 -2.359 1.00 0.00 C ATOM 639 CG1 VAL A 33 3.905 3.254 -2.550 1.00 0.00 C ATOM 640 CG2 VAL A 33 1.987 1.668 -2.456 1.00 0.00 C ATOM 0 H VAL A 33 0.003 3.684 -1.875 1.00 0.00 H new ATOM 0 HA VAL A 33 2.362 3.303 -0.158 1.00 0.00 H new ATOM 0 HB VAL A 33 1.893 3.727 -3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.184 2.799 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.202 4.303 -2.548 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.410 2.733 -1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.338 1.258 -3.403 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.439 1.116 -1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.902 1.578 -2.401 1.00 0.00 H new ATOM 650 N GLU A 34 3.437 5.520 -0.220 1.00 0.00 N ATOM 651 CA GLU A 34 3.997 6.855 -0.086 1.00 0.00 C ATOM 652 C GLU A 34 5.530 6.803 -0.007 1.00 0.00 C ATOM 653 O GLU A 34 6.106 5.777 0.344 1.00 0.00 O ATOM 654 CB GLU A 34 3.368 7.537 1.137 1.00 0.00 C ATOM 655 CG GLU A 34 3.756 9.012 1.281 1.00 0.00 C ATOM 656 CD GLU A 34 3.288 9.788 0.063 1.00 0.00 C ATOM 657 OE1 GLU A 34 4.020 9.846 -0.955 1.00 0.00 O ATOM 658 OE2 GLU A 34 2.134 10.268 0.128 1.00 0.00 O ATOM 0 H GLU A 34 3.964 4.807 0.284 1.00 0.00 H new ATOM 0 HA GLU A 34 3.760 7.448 -0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.283 7.460 1.068 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.669 7.001 2.037 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.308 9.429 2.183 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.837 9.104 1.389 1.00 0.00 H new ATOM 665 N LYS A 35 6.212 7.887 -0.371 1.00 0.00 N ATOM 666 CA LYS A 35 7.665 7.995 -0.289 1.00 0.00 C ATOM 667 C LYS A 35 7.887 8.798 0.986 1.00 0.00 C ATOM 668 O LYS A 35 7.276 9.858 1.142 1.00 0.00 O ATOM 669 CB LYS A 35 8.258 8.628 -1.559 1.00 0.00 C ATOM 670 CG LYS A 35 9.772 8.889 -1.453 1.00 0.00 C ATOM 671 CD LYS A 35 10.103 10.285 -0.901 1.00 0.00 C ATOM 672 CE LYS A 35 10.112 11.346 -1.999 1.00 0.00 C ATOM 673 NZ LYS A 35 10.015 12.711 -1.440 1.00 0.00 N ATOM 0 H LYS A 35 5.763 8.727 -0.736 1.00 0.00 H new ATOM 0 HA LYS A 35 8.180 7.036 -0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.067 7.972 -2.408 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.746 9.569 -1.762 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.221 8.133 -0.808 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.224 8.777 -2.438 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.372 10.557 -0.140 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.077 10.260 -0.413 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.027 11.256 -2.584 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.279 11.172 -2.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.024 13.405 -2.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.130 12.804 -0.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.823 12.886 -0.809 1.00 0.00 H new ATOM 687 N ALA A 36 8.716 8.293 1.893 1.00 0.00 N ATOM 688 CA ALA A 36 9.022 8.957 3.151 1.00 0.00 C ATOM 689 C ALA A 36 10.241 9.854 2.900 1.00 0.00 C ATOM 690 O ALA A 36 10.991 9.609 1.951 1.00 0.00 O ATOM 691 CB ALA A 36 9.316 7.892 4.223 1.00 0.00 C ATOM 0 H ALA A 36 9.198 7.402 1.773 1.00 0.00 H new ATOM 0 HA ALA A 36 8.189 9.563 3.508 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.546 8.382 5.169 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.443 7.252 4.349 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.167 7.287 3.911 1.00 0.00 H new ATOM 697 N PRO A 37 10.455 10.894 3.722 1.00 0.00 N ATOM 698 CA PRO A 37 11.576 11.803 3.547 1.00 0.00 C ATOM 699 C PRO A 37 12.939 11.091 3.547 1.00 0.00 C ATOM 700 O PRO A 37 13.074 9.942 3.964 1.00 0.00 O ATOM 701 CB PRO A 37 11.434 12.886 4.625 1.00 0.00 C ATOM 702 CG PRO A 37 10.298 12.433 5.543 1.00 0.00 C ATOM 703 CD PRO A 37 9.618 11.264 4.850 1.00 0.00 C ATOM 0 HA PRO A 37 11.549 12.262 2.559 1.00 0.00 H new ATOM 0 HB2 PRO A 37 12.363 13.002 5.184 1.00 0.00 H new ATOM 0 HB3 PRO A 37 11.209 13.854 4.177 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.684 12.134 6.518 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.592 13.245 5.715 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.501 10.424 5.535 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.619 11.543 4.514 1.00 0.00 H new ATOM 711 N LYS A 38 13.972 11.817 3.105 1.00 0.00 N ATOM 712 CA LYS A 38 15.361 11.348 2.996 1.00 0.00 C ATOM 713 C LYS A 38 15.484 10.123 2.086 1.00 0.00 C ATOM 714 O LYS A 38 16.198 9.166 2.399 1.00 0.00 O ATOM 715 CB LYS A 38 16.023 11.131 4.372 1.00 0.00 C ATOM 716 CG LYS A 38 15.811 12.258 5.395 1.00 0.00 C ATOM 717 CD LYS A 38 16.382 13.578 4.875 1.00 0.00 C ATOM 718 CE LYS A 38 16.074 14.737 5.820 1.00 0.00 C ATOM 719 NZ LYS A 38 16.540 16.010 5.238 1.00 0.00 N ATOM 0 H LYS A 38 13.861 12.784 2.801 1.00 0.00 H new ATOM 0 HA LYS A 38 15.922 12.150 2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 38 15.641 10.202 4.797 1.00 0.00 H new ATOM 0 HB3 LYS A 38 17.094 10.997 4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.747 12.373 5.601 1.00 0.00 H new ATOM 0 HG3 LYS A 38 16.291 11.995 6.337 1.00 0.00 H new ATOM 0 HD2 LYS A 38 17.461 13.485 4.753 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.967 13.791 3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.002 14.786 6.008 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.559 14.570 6.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 16.324 16.790 5.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 17.567 15.964 5.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.058 16.174 4.331 1.00 0.00 H new ATOM 733 N ALA A 39 14.773 10.142 0.955 1.00 0.00 N ATOM 734 CA ALA A 39 14.812 9.069 -0.019 1.00 0.00 C ATOM 735 C ALA A 39 15.509 9.566 -1.282 1.00 0.00 C ATOM 736 O ALA A 39 15.638 10.774 -1.511 1.00 0.00 O ATOM 737 CB ALA A 39 13.410 8.549 -0.325 1.00 0.00 C ATOM 0 H ALA A 39 14.154 10.910 0.696 1.00 0.00 H new ATOM 0 HA ALA A 39 15.376 8.232 0.392 1.00 0.00 H new ATOM 0 HB1 ALA A 39 13.472 7.745 -1.059 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.954 8.171 0.590 1.00 0.00 H new ATOM 0 HB3 ALA A 39 12.801 9.359 -0.725 1.00 0.00 H new ATOM 743 N ARG A 40 15.942 8.616 -2.102 1.00 0.00 N ATOM 744 CA ARG A 40 16.614 8.806 -3.374 1.00 0.00 C ATOM 745 C ARG A 40 16.042 7.706 -4.269 1.00 0.00 C ATOM 746 O ARG A 40 16.766 6.912 -4.858 1.00 0.00 O ATOM 747 CB ARG A 40 18.133 8.718 -3.143 1.00 0.00 C ATOM 748 CG ARG A 40 18.957 9.425 -4.222 1.00 0.00 C ATOM 749 CD ARG A 40 18.786 8.855 -5.636 1.00 0.00 C ATOM 750 NE ARG A 40 19.651 9.540 -6.602 1.00 0.00 N ATOM 751 CZ ARG A 40 19.433 10.730 -7.161 1.00 0.00 C ATOM 752 NH1 ARG A 40 18.271 11.354 -7.002 1.00 0.00 N ATOM 753 NH2 ARG A 40 20.397 11.285 -7.882 1.00 0.00 N ATOM 0 H ARG A 40 15.823 7.628 -1.878 1.00 0.00 H new ATOM 0 HA ARG A 40 16.454 9.776 -3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 40 18.371 9.153 -2.172 1.00 0.00 H new ATOM 0 HB3 ARG A 40 18.426 7.669 -3.102 1.00 0.00 H new ATOM 0 HG2 ARG A 40 18.684 10.480 -4.235 1.00 0.00 H new ATOM 0 HG3 ARG A 40 20.011 9.372 -3.948 1.00 0.00 H new ATOM 0 HD2 ARG A 40 19.018 7.790 -5.630 1.00 0.00 H new ATOM 0 HD3 ARG A 40 17.745 8.953 -5.945 1.00 0.00 H new ATOM 0 HE ARG A 40 20.507 9.056 -6.874 1.00 0.00 H new ATOM 0 HH11 ARG A 40 17.532 10.923 -6.446 1.00 0.00 H new ATOM 0 HH12 ARG A 40 18.118 12.264 -7.435 1.00 0.00 H new ATOM 0 HH21 ARG A 40 21.287 10.802 -8.001 1.00 0.00 H new ATOM 0 HH22 ARG A 40 20.248 12.195 -8.318 1.00 0.00 H new ATOM 767 N VAL A 41 14.714 7.636 -4.339 1.00 0.00 N ATOM 768 CA VAL A 41 14.007 6.623 -5.107 1.00 0.00 C ATOM 769 C VAL A 41 13.077 7.266 -6.135 1.00 0.00 C ATOM 770 O VAL A 41 12.531 8.342 -5.866 1.00 0.00 O ATOM 771 CB VAL A 41 13.234 5.713 -4.124 1.00 0.00 C ATOM 772 CG1 VAL A 41 14.172 5.004 -3.137 1.00 0.00 C ATOM 773 CG2 VAL A 41 12.161 6.471 -3.317 1.00 0.00 C ATOM 0 H VAL A 41 14.096 8.289 -3.858 1.00 0.00 H new ATOM 0 HA VAL A 41 14.719 6.018 -5.669 1.00 0.00 H new ATOM 0 HB VAL A 41 12.739 4.976 -4.757 1.00 0.00 H new ATOM 0 HG11 VAL A 41 13.586 4.376 -2.466 1.00 0.00 H new ATOM 0 HG12 VAL A 41 14.880 4.385 -3.688 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.717 5.747 -2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.654 5.778 -2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.635 7.260 -2.734 1.00 0.00 H new ATOM 0 HG23 VAL A 41 11.435 6.911 -4.001 1.00 0.00 H new ATOM 783 N PRO A 42 12.865 6.633 -7.300 1.00 0.00 N ATOM 784 CA PRO A 42 11.979 7.164 -8.318 1.00 0.00 C ATOM 785 C PRO A 42 10.533 7.098 -7.819 1.00 0.00 C ATOM 786 O PRO A 42 10.187 6.355 -6.886 1.00 0.00 O ATOM 787 CB PRO A 42 12.220 6.334 -9.580 1.00 0.00 C ATOM 788 CG PRO A 42 12.697 4.995 -9.027 1.00 0.00 C ATOM 789 CD PRO A 42 13.442 5.374 -7.745 1.00 0.00 C ATOM 0 HA PRO A 42 12.173 8.213 -8.541 1.00 0.00 H new ATOM 0 HB2 PRO A 42 11.310 6.225 -10.171 1.00 0.00 H new ATOM 0 HB3 PRO A 42 12.968 6.792 -10.227 1.00 0.00 H new ATOM 0 HG2 PRO A 42 11.861 4.327 -8.821 1.00 0.00 H new ATOM 0 HG3 PRO A 42 13.350 4.481 -9.732 1.00 0.00 H new ATOM 0 HD2 PRO A 42 13.326 4.602 -6.984 1.00 0.00 H new ATOM 0 HD3 PRO A 42 14.511 5.480 -7.932 1.00 0.00 H new ATOM 797 N ASP A 43 9.698 7.931 -8.421 1.00 0.00 N ATOM 798 CA ASP A 43 8.280 8.049 -8.125 1.00 0.00 C ATOM 799 C ASP A 43 7.489 7.000 -8.910 1.00 0.00 C ATOM 800 O ASP A 43 8.021 6.349 -9.815 1.00 0.00 O ATOM 801 CB ASP A 43 7.793 9.462 -8.454 1.00 0.00 C ATOM 802 CG ASP A 43 7.437 9.610 -9.933 1.00 0.00 C ATOM 803 OD1 ASP A 43 8.334 9.512 -10.804 1.00 0.00 O ATOM 804 OD2 ASP A 43 6.230 9.766 -10.222 1.00 0.00 O ATOM 0 H ASP A 43 10.002 8.568 -9.158 1.00 0.00 H new ATOM 0 HA ASP A 43 8.120 7.870 -7.062 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.920 9.697 -7.845 1.00 0.00 H new ATOM 0 HB3 ASP A 43 8.567 10.183 -8.193 1.00 0.00 H new ATOM 809 N LEU A 44 6.225 6.790 -8.533 1.00 0.00 N ATOM 810 CA LEU A 44 5.348 5.818 -9.172 1.00 0.00 C ATOM 811 C LEU A 44 4.077 6.484 -9.681 1.00 0.00 C ATOM 812 O LEU A 44 3.528 7.381 -9.047 1.00 0.00 O ATOM 813 CB LEU A 44 5.009 4.683 -8.192 1.00 0.00 C ATOM 814 CG LEU A 44 6.205 3.777 -7.835 1.00 0.00 C ATOM 815 CD1 LEU A 44 5.779 2.819 -6.718 1.00 0.00 C ATOM 816 CD2 LEU A 44 6.699 2.964 -9.041 1.00 0.00 C ATOM 0 H LEU A 44 5.782 7.298 -7.767 1.00 0.00 H new ATOM 0 HA LEU A 44 5.872 5.395 -10.029 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.610 5.117 -7.275 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.219 4.069 -8.624 1.00 0.00 H new ATOM 0 HG LEU A 44 7.028 4.415 -7.512 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.616 2.172 -6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.475 3.393 -5.843 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.943 2.210 -7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.542 2.342 -8.740 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.892 2.329 -9.407 1.00 0.00 H new ATOM 0 HD23 LEU A 44 7.014 3.643 -9.833 1.00 0.00 H new ATOM 828 N ASP A 45 3.595 5.960 -10.802 1.00 0.00 N ATOM 829 CA ASP A 45 2.406 6.362 -11.554 1.00 0.00 C ATOM 830 C ASP A 45 1.092 6.133 -10.809 1.00 0.00 C ATOM 831 O ASP A 45 0.127 6.874 -10.995 1.00 0.00 O ATOM 832 CB ASP A 45 2.424 5.489 -12.809 1.00 0.00 C ATOM 833 CG ASP A 45 1.239 5.665 -13.746 1.00 0.00 C ATOM 834 OD1 ASP A 45 1.328 6.545 -14.631 1.00 0.00 O ATOM 835 OD2 ASP A 45 0.334 4.804 -13.727 1.00 0.00 O ATOM 0 H ASP A 45 4.066 5.174 -11.249 1.00 0.00 H new ATOM 0 HA ASP A 45 2.444 7.434 -11.749 1.00 0.00 H new ATOM 0 HB2 ASP A 45 3.338 5.700 -13.364 1.00 0.00 H new ATOM 0 HB3 ASP A 45 2.471 4.444 -12.503 1.00 0.00 H new ATOM 840 N LYS A 46 1.045 5.098 -9.967 1.00 0.00 N ATOM 841 CA LYS A 46 -0.121 4.714 -9.182 1.00 0.00 C ATOM 842 C LYS A 46 0.243 4.659 -7.707 1.00 0.00 C ATOM 843 O LYS A 46 1.400 4.429 -7.348 1.00 0.00 O ATOM 844 CB LYS A 46 -0.698 3.383 -9.697 1.00 0.00 C ATOM 845 CG LYS A 46 0.330 2.239 -9.761 1.00 0.00 C ATOM 846 CD LYS A 46 0.765 1.944 -11.204 1.00 0.00 C ATOM 847 CE LYS A 46 1.845 0.860 -11.252 1.00 0.00 C ATOM 848 NZ LYS A 46 1.311 -0.491 -11.002 1.00 0.00 N ATOM 0 H LYS A 46 1.846 4.487 -9.811 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.904 5.464 -9.296 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.522 3.082 -9.050 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.114 3.540 -10.692 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.204 2.501 -9.164 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.099 1.340 -9.319 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.099 1.625 -11.788 1.00 0.00 H new ATOM 0 HD3 LYS A 46 1.143 2.856 -11.665 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.329 0.879 -12.228 1.00 0.00 H new ATOM 0 HE3 LYS A 46 2.612 1.085 -10.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.943 -1.198 -11.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.249 -0.655 -9.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.364 -0.574 -11.424 1.00 0.00 H new ATOM 862 N ARG A 47 -0.781 4.746 -6.858 1.00 0.00 N ATOM 863 CA ARG A 47 -0.636 4.739 -5.404 1.00 0.00 C ATOM 864 C ARG A 47 -1.452 3.674 -4.685 1.00 0.00 C ATOM 865 O ARG A 47 -1.139 3.346 -3.541 1.00 0.00 O ATOM 866 CB ARG A 47 -1.118 6.119 -4.913 1.00 0.00 C ATOM 867 CG ARG A 47 -0.217 6.738 -3.840 1.00 0.00 C ATOM 868 CD ARG A 47 1.158 7.205 -4.358 1.00 0.00 C ATOM 869 NE ARG A 47 1.025 8.073 -5.539 1.00 0.00 N ATOM 870 CZ ARG A 47 1.980 8.738 -6.186 1.00 0.00 C ATOM 871 NH1 ARG A 47 3.202 8.855 -5.671 1.00 0.00 N ATOM 872 NH2 ARG A 47 1.690 9.300 -7.352 1.00 0.00 N ATOM 0 H ARG A 47 -1.750 4.825 -7.167 1.00 0.00 H new ATOM 0 HA ARG A 47 0.408 4.519 -5.179 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.175 6.798 -5.764 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.128 6.021 -4.515 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.733 7.589 -3.396 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.064 6.008 -3.045 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.682 7.743 -3.568 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.767 6.337 -4.610 1.00 0.00 H new ATOM 0 HE ARG A 47 0.080 8.179 -5.909 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.418 8.432 -4.768 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.923 9.368 -6.179 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.749 9.218 -7.737 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.408 9.814 -7.863 1.00 0.00 H new ATOM 886 N LYS A 48 -2.506 3.170 -5.324 1.00 0.00 N ATOM 887 CA LYS A 48 -3.421 2.183 -4.777 1.00 0.00 C ATOM 888 C LYS A 48 -3.004 0.788 -5.225 1.00 0.00 C ATOM 889 O LYS A 48 -2.923 0.541 -6.429 1.00 0.00 O ATOM 890 CB LYS A 48 -4.827 2.546 -5.297 1.00 0.00 C ATOM 891 CG LYS A 48 -5.271 4.003 -5.071 1.00 0.00 C ATOM 892 CD LYS A 48 -5.416 4.377 -3.593 1.00 0.00 C ATOM 893 CE LYS A 48 -5.827 5.851 -3.466 1.00 0.00 C ATOM 894 NZ LYS A 48 -6.704 6.080 -2.304 1.00 0.00 N ATOM 0 H LYS A 48 -2.751 3.452 -6.273 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.412 2.184 -3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.863 2.337 -6.366 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.552 1.887 -4.819 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.547 4.671 -5.537 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.224 4.166 -5.574 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.163 3.740 -3.119 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.474 4.207 -3.071 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -4.934 6.470 -3.374 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.340 6.164 -4.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.559 7.045 -1.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.697 5.963 -2.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.476 5.394 -1.556 1.00 0.00 H new ATOM 908 N TYR A 49 -2.780 -0.133 -4.288 1.00 0.00 N ATOM 909 CA TYR A 49 -2.372 -1.506 -4.573 1.00 0.00 C ATOM 910 C TYR A 49 -3.181 -2.487 -3.727 1.00 0.00 C ATOM 911 O TYR A 49 -3.672 -2.119 -2.667 1.00 0.00 O ATOM 912 CB TYR A 49 -0.876 -1.641 -4.277 1.00 0.00 C ATOM 913 CG TYR A 49 0.024 -1.027 -5.335 1.00 0.00 C ATOM 914 CD1 TYR A 49 0.399 0.330 -5.270 1.00 0.00 C ATOM 915 CD2 TYR A 49 0.499 -1.826 -6.388 1.00 0.00 C ATOM 916 CE1 TYR A 49 1.285 0.867 -6.223 1.00 0.00 C ATOM 917 CE2 TYR A 49 1.399 -1.307 -7.334 1.00 0.00 C ATOM 918 CZ TYR A 49 1.810 0.041 -7.243 1.00 0.00 C ATOM 919 OH TYR A 49 2.739 0.536 -8.105 1.00 0.00 O ATOM 0 H TYR A 49 -2.879 0.059 -3.291 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.559 -1.739 -5.621 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.663 -1.171 -3.317 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -0.631 -2.698 -4.176 1.00 0.00 H new ATOM 0 HD1 TYR A 49 0.005 0.960 -4.486 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.169 -2.851 -6.471 1.00 0.00 H new ATOM 0 HE1 TYR A 49 1.563 1.909 -6.175 1.00 0.00 H new ATOM 0 HE2 TYR A 49 1.775 -1.936 -8.127 1.00 0.00 H new ATOM 0 HH TYR A 49 2.996 -0.161 -8.744 1.00 0.00 H new ATOM 929 N LEU A 50 -3.304 -3.745 -4.141 1.00 0.00 N ATOM 930 CA LEU A 50 -4.049 -4.789 -3.437 1.00 0.00 C ATOM 931 C LEU A 50 -3.156 -6.012 -3.338 1.00 0.00 C ATOM 932 O LEU A 50 -2.641 -6.464 -4.363 1.00 0.00 O ATOM 933 CB LEU A 50 -5.339 -5.130 -4.208 1.00 0.00 C ATOM 934 CG LEU A 50 -6.571 -4.363 -3.709 1.00 0.00 C ATOM 935 CD1 LEU A 50 -7.666 -4.391 -4.781 1.00 0.00 C ATOM 936 CD2 LEU A 50 -7.115 -4.982 -2.417 1.00 0.00 C ATOM 0 H LEU A 50 -2.874 -4.079 -5.004 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.332 -4.448 -2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.189 -4.912 -5.265 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.529 -6.200 -4.127 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.273 -3.334 -3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.539 -3.846 -4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.294 -3.924 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.944 -5.424 -4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.988 -4.420 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.399 -6.018 -2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.346 -4.948 -1.645 1.00 0.00 H new ATOM 948 N VAL A 51 -2.992 -6.561 -2.133 1.00 0.00 N ATOM 949 CA VAL A 51 -2.147 -7.740 -1.906 1.00 0.00 C ATOM 950 C VAL A 51 -2.863 -8.739 -0.989 1.00 0.00 C ATOM 951 O VAL A 51 -3.650 -8.292 -0.157 1.00 0.00 O ATOM 952 CB VAL A 51 -0.790 -7.313 -1.306 1.00 0.00 C ATOM 953 CG1 VAL A 51 0.088 -6.611 -2.347 1.00 0.00 C ATOM 954 CG2 VAL A 51 -0.909 -6.384 -0.090 1.00 0.00 C ATOM 0 H VAL A 51 -3.439 -6.204 -1.288 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.959 -8.231 -2.861 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.335 -8.248 -0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.035 -6.324 -1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.277 -7.288 -3.180 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.423 -5.720 -2.713 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.087 -6.130 0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.434 -5.473 -0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.465 -6.888 0.700 1.00 0.00 H new ATOM 964 N PRO A 52 -2.638 -10.060 -1.127 1.00 0.00 N ATOM 965 CA PRO A 52 -3.273 -11.062 -0.280 1.00 0.00 C ATOM 966 C PRO A 52 -2.680 -11.017 1.132 1.00 0.00 C ATOM 967 O PRO A 52 -1.519 -10.637 1.288 1.00 0.00 O ATOM 968 CB PRO A 52 -3.017 -12.407 -0.960 1.00 0.00 C ATOM 969 CG PRO A 52 -1.729 -12.188 -1.744 1.00 0.00 C ATOM 970 CD PRO A 52 -1.746 -10.695 -2.081 1.00 0.00 C ATOM 0 HA PRO A 52 -4.343 -10.886 -0.167 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.908 -13.209 -0.229 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.841 -12.685 -1.617 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.853 -12.453 -1.153 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.702 -12.800 -2.646 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.744 -10.272 -2.014 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.093 -10.533 -3.102 1.00 0.00 H new ATOM 978 N SER A 53 -3.438 -11.435 2.148 1.00 0.00 N ATOM 979 CA SER A 53 -2.973 -11.435 3.537 1.00 0.00 C ATOM 980 C SER A 53 -1.740 -12.333 3.725 1.00 0.00 C ATOM 981 O SER A 53 -0.777 -11.969 4.396 1.00 0.00 O ATOM 982 CB SER A 53 -4.104 -11.902 4.465 1.00 0.00 C ATOM 983 OG SER A 53 -5.292 -11.163 4.244 1.00 0.00 O ATOM 0 H SER A 53 -4.390 -11.782 2.032 1.00 0.00 H new ATOM 0 HA SER A 53 -2.684 -10.415 3.791 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.297 -12.962 4.301 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.793 -11.792 5.504 1.00 0.00 H new ATOM 0 HG SER A 53 -5.994 -11.484 4.848 1.00 0.00 H new ATOM 989 N ASP A 54 -1.721 -13.489 3.072 1.00 0.00 N ATOM 990 CA ASP A 54 -0.635 -14.469 3.160 1.00 0.00 C ATOM 991 C ASP A 54 0.676 -13.998 2.509 1.00 0.00 C ATOM 992 O ASP A 54 1.684 -14.711 2.565 1.00 0.00 O ATOM 993 CB ASP A 54 -1.096 -15.800 2.545 1.00 0.00 C ATOM 994 CG ASP A 54 -2.037 -16.573 3.467 1.00 0.00 C ATOM 995 OD1 ASP A 54 -3.257 -16.283 3.457 1.00 0.00 O ATOM 996 OD2 ASP A 54 -1.557 -17.498 4.162 1.00 0.00 O ATOM 0 H ASP A 54 -2.476 -13.782 2.451 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.409 -14.600 4.218 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.599 -15.604 1.598 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.224 -16.415 2.322 1.00 0.00 H new ATOM 1001 N LEU A 55 0.692 -12.829 1.857 1.00 0.00 N ATOM 1002 CA LEU A 55 1.895 -12.317 1.214 1.00 0.00 C ATOM 1003 C LEU A 55 2.941 -11.950 2.263 1.00 0.00 C ATOM 1004 O LEU A 55 2.713 -11.055 3.080 1.00 0.00 O ATOM 1005 CB LEU A 55 1.578 -11.094 0.338 1.00 0.00 C ATOM 1006 CG LEU A 55 2.812 -10.521 -0.391 1.00 0.00 C ATOM 1007 CD1 LEU A 55 3.439 -11.550 -1.340 1.00 0.00 C ATOM 1008 CD2 LEU A 55 2.400 -9.286 -1.195 1.00 0.00 C ATOM 0 H LEU A 55 -0.122 -12.222 1.764 1.00 0.00 H new ATOM 0 HA LEU A 55 2.293 -13.103 0.572 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.826 -11.372 -0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 55 1.140 -10.314 0.961 1.00 0.00 H new ATOM 0 HG LEU A 55 3.553 -10.257 0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.305 -11.109 -1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.753 -12.425 -0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.706 -11.848 -2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.271 -8.880 -1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.642 -9.565 -1.927 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.993 -8.532 -0.521 1.00 0.00 H new ATOM 1020 N THR A 56 4.074 -12.649 2.255 1.00 0.00 N ATOM 1021 CA THR A 56 5.177 -12.382 3.167 1.00 0.00 C ATOM 1022 C THR A 56 5.686 -10.974 2.802 1.00 0.00 C ATOM 1023 O THR A 56 5.772 -10.635 1.614 1.00 0.00 O ATOM 1024 CB THR A 56 6.212 -13.515 3.031 1.00 0.00 C ATOM 1025 OG1 THR A 56 7.214 -13.470 4.022 1.00 0.00 O ATOM 1026 CG2 THR A 56 6.922 -13.491 1.687 1.00 0.00 C ATOM 0 H THR A 56 4.251 -13.420 1.611 1.00 0.00 H new ATOM 0 HA THR A 56 4.906 -12.376 4.223 1.00 0.00 H new ATOM 0 HB THR A 56 5.623 -14.426 3.139 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.840 -14.212 3.888 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.641 -14.309 1.641 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.191 -13.605 0.887 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.444 -12.542 1.568 1.00 0.00 H new ATOM 1034 N VAL A 57 6.032 -10.136 3.782 1.00 0.00 N ATOM 1035 CA VAL A 57 6.493 -8.778 3.492 1.00 0.00 C ATOM 1036 C VAL A 57 7.764 -8.783 2.634 1.00 0.00 C ATOM 1037 O VAL A 57 7.943 -7.924 1.769 1.00 0.00 O ATOM 1038 CB VAL A 57 6.602 -7.940 4.777 1.00 0.00 C ATOM 1039 CG1 VAL A 57 5.268 -7.904 5.544 1.00 0.00 C ATOM 1040 CG2 VAL A 57 7.690 -8.427 5.732 1.00 0.00 C ATOM 0 H VAL A 57 6.002 -10.371 4.774 1.00 0.00 H new ATOM 0 HA VAL A 57 5.740 -8.280 2.881 1.00 0.00 H new ATOM 0 HB VAL A 57 6.870 -6.941 4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.383 -7.303 6.446 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.496 -7.465 4.911 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.979 -8.918 5.818 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.710 -7.790 6.616 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.480 -9.454 6.030 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.658 -8.385 5.233 1.00 0.00 H new ATOM 1050 N GLY A 58 8.625 -9.793 2.804 1.00 0.00 N ATOM 1051 CA GLY A 58 9.860 -9.911 2.046 1.00 0.00 C ATOM 1052 C GLY A 58 9.639 -9.906 0.529 1.00 0.00 C ATOM 1053 O GLY A 58 10.393 -9.255 -0.203 1.00 0.00 O ATOM 0 H GLY A 58 8.478 -10.548 3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.523 -9.088 2.313 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.367 -10.833 2.330 1.00 0.00 H new ATOM 1057 N GLN A 59 8.627 -10.637 0.055 1.00 0.00 N ATOM 1058 CA GLN A 59 8.271 -10.741 -1.359 1.00 0.00 C ATOM 1059 C GLN A 59 7.793 -9.377 -1.849 1.00 0.00 C ATOM 1060 O GLN A 59 8.163 -8.977 -2.953 1.00 0.00 O ATOM 1061 CB GLN A 59 7.203 -11.829 -1.552 1.00 0.00 C ATOM 1062 CG GLN A 59 7.732 -13.250 -1.852 1.00 0.00 C ATOM 1063 CD GLN A 59 9.101 -13.609 -1.254 1.00 0.00 C ATOM 1064 OE1 GLN A 59 9.368 -13.444 -0.072 1.00 0.00 O ATOM 1065 NE2 GLN A 59 10.038 -14.092 -2.049 1.00 0.00 N ATOM 0 H GLN A 59 8.018 -11.186 0.661 1.00 0.00 H new ATOM 0 HA GLN A 59 9.139 -11.033 -1.950 1.00 0.00 H new ATOM 0 HB2 GLN A 59 6.590 -11.873 -0.651 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.548 -11.527 -2.369 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.000 -13.971 -1.488 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.789 -13.372 -2.934 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.841 -14.239 -3.039 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.959 -14.318 -1.673 1.00 0.00 H new ATOM 1074 N PHE A 60 6.998 -8.671 -1.032 1.00 0.00 N ATOM 1075 CA PHE A 60 6.505 -7.343 -1.366 1.00 0.00 C ATOM 1076 C PHE A 60 7.723 -6.438 -1.596 1.00 0.00 C ATOM 1077 O PHE A 60 7.801 -5.825 -2.662 1.00 0.00 O ATOM 1078 CB PHE A 60 5.515 -6.854 -0.284 1.00 0.00 C ATOM 1079 CG PHE A 60 5.352 -5.350 -0.157 1.00 0.00 C ATOM 1080 CD1 PHE A 60 4.450 -4.665 -0.990 1.00 0.00 C ATOM 1081 CD2 PHE A 60 6.058 -4.637 0.831 1.00 0.00 C ATOM 1082 CE1 PHE A 60 4.295 -3.270 -0.875 1.00 0.00 C ATOM 1083 CE2 PHE A 60 5.885 -3.246 0.967 1.00 0.00 C ATOM 1084 CZ PHE A 60 5.031 -2.556 0.086 1.00 0.00 C ATOM 0 H PHE A 60 6.683 -9.011 -0.123 1.00 0.00 H new ATOM 0 HA PHE A 60 5.923 -7.335 -2.288 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.537 -7.288 -0.492 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.839 -7.246 0.680 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.873 -5.211 -1.722 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.736 -5.160 1.489 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.610 -2.748 -1.526 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.407 -2.710 1.746 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.942 -1.482 0.148 1.00 0.00 H new ATOM 1094 N TYR A 61 8.720 -6.466 -0.699 1.00 0.00 N ATOM 1095 CA TYR A 61 9.917 -5.632 -0.835 1.00 0.00 C ATOM 1096 C TYR A 61 10.625 -5.903 -2.160 1.00 0.00 C ATOM 1097 O TYR A 61 10.950 -4.954 -2.883 1.00 0.00 O ATOM 1098 CB TYR A 61 10.893 -5.820 0.338 1.00 0.00 C ATOM 1099 CG TYR A 61 10.345 -5.614 1.741 1.00 0.00 C ATOM 1100 CD1 TYR A 61 9.441 -4.574 2.037 1.00 0.00 C ATOM 1101 CD2 TYR A 61 10.792 -6.454 2.778 1.00 0.00 C ATOM 1102 CE1 TYR A 61 8.954 -4.406 3.347 1.00 0.00 C ATOM 1103 CE2 TYR A 61 10.306 -6.294 4.085 1.00 0.00 C ATOM 1104 CZ TYR A 61 9.378 -5.276 4.376 1.00 0.00 C ATOM 1105 OH TYR A 61 8.923 -5.152 5.649 1.00 0.00 O ATOM 0 H TYR A 61 8.718 -7.060 0.130 1.00 0.00 H new ATOM 0 HA TYR A 61 9.581 -4.595 -0.820 1.00 0.00 H new ATOM 0 HB2 TYR A 61 11.300 -6.830 0.280 1.00 0.00 H new ATOM 0 HB3 TYR A 61 11.726 -5.132 0.197 1.00 0.00 H new ATOM 0 HD1 TYR A 61 9.120 -3.902 1.254 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.515 -7.228 2.566 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.256 -3.612 3.565 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.645 -6.954 4.870 1.00 0.00 H new ATOM 0 HH TYR A 61 9.330 -5.844 6.211 1.00 0.00 H new ATOM 1115 N PHE A 62 10.814 -7.173 -2.529 1.00 0.00 N ATOM 1116 CA PHE A 62 11.483 -7.497 -3.790 1.00 0.00 C ATOM 1117 C PHE A 62 10.730 -6.968 -5.009 1.00 0.00 C ATOM 1118 O PHE A 62 11.368 -6.466 -5.934 1.00 0.00 O ATOM 1119 CB PHE A 62 11.713 -9.008 -3.930 1.00 0.00 C ATOM 1120 CG PHE A 62 12.782 -9.535 -2.998 1.00 0.00 C ATOM 1121 CD1 PHE A 62 14.103 -9.065 -3.111 1.00 0.00 C ATOM 1122 CD2 PHE A 62 12.461 -10.472 -2.003 1.00 0.00 C ATOM 1123 CE1 PHE A 62 15.094 -9.513 -2.225 1.00 0.00 C ATOM 1124 CE2 PHE A 62 13.450 -10.920 -1.115 1.00 0.00 C ATOM 1125 CZ PHE A 62 14.769 -10.437 -1.223 1.00 0.00 C ATOM 0 H PHE A 62 10.518 -7.981 -1.982 1.00 0.00 H new ATOM 0 HA PHE A 62 12.449 -6.994 -3.756 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.777 -9.532 -3.733 1.00 0.00 H new ATOM 0 HB3 PHE A 62 11.994 -9.233 -4.959 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.356 -8.355 -3.885 1.00 0.00 H new ATOM 0 HD2 PHE A 62 11.452 -10.848 -1.921 1.00 0.00 H new ATOM 0 HE1 PHE A 62 16.106 -9.146 -2.315 1.00 0.00 H new ATOM 0 HE2 PHE A 62 13.200 -11.637 -0.347 1.00 0.00 H new ATOM 0 HZ PHE A 62 15.528 -10.778 -0.535 1.00 0.00 H new ATOM 1135 N LEU A 63 9.400 -7.067 -5.024 1.00 0.00 N ATOM 1136 CA LEU A 63 8.566 -6.607 -6.133 1.00 0.00 C ATOM 1137 C LEU A 63 8.705 -5.108 -6.363 1.00 0.00 C ATOM 1138 O LEU A 63 9.014 -4.689 -7.483 1.00 0.00 O ATOM 1139 CB LEU A 63 7.100 -7.015 -5.893 1.00 0.00 C ATOM 1140 CG LEU A 63 6.606 -8.075 -6.891 1.00 0.00 C ATOM 1141 CD1 LEU A 63 7.489 -9.327 -6.916 1.00 0.00 C ATOM 1142 CD2 LEU A 63 5.183 -8.485 -6.510 1.00 0.00 C ATOM 0 H LEU A 63 8.866 -7.474 -4.256 1.00 0.00 H new ATOM 0 HA LEU A 63 8.913 -7.091 -7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.996 -7.401 -4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.465 -6.132 -5.964 1.00 0.00 H new ATOM 0 HG LEU A 63 6.643 -7.629 -7.885 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.090 -10.039 -7.639 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.504 -9.051 -7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 63 7.501 -9.783 -5.926 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.821 -9.237 -7.211 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.181 -8.898 -5.501 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.531 -7.612 -6.546 1.00 0.00 H new ATOM 1154 N ILE A 64 8.514 -4.303 -5.316 1.00 0.00 N ATOM 1155 CA ILE A 64 8.634 -2.856 -5.457 1.00 0.00 C ATOM 1156 C ILE A 64 10.060 -2.553 -5.903 1.00 0.00 C ATOM 1157 O ILE A 64 10.238 -1.883 -6.918 1.00 0.00 O ATOM 1158 CB ILE A 64 8.266 -2.121 -4.152 1.00 0.00 C ATOM 1159 CG1 ILE A 64 6.748 -2.059 -3.869 1.00 0.00 C ATOM 1160 CG2 ILE A 64 8.744 -0.654 -4.186 1.00 0.00 C ATOM 1161 CD1 ILE A 64 5.951 -3.363 -3.847 1.00 0.00 C ATOM 0 H ILE A 64 8.279 -4.624 -4.377 1.00 0.00 H new ATOM 0 HA ILE A 64 7.928 -2.492 -6.204 1.00 0.00 H new ATOM 0 HB ILE A 64 8.759 -2.705 -3.374 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.612 -1.572 -2.903 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.298 -1.409 -4.620 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.471 -0.161 -3.253 1.00 0.00 H new ATOM 0 HG22 ILE A 64 9.827 -0.627 -4.307 1.00 0.00 H new ATOM 0 HG23 ILE A 64 8.272 -0.137 -5.022 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.904 -3.146 -3.635 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.031 -3.855 -4.817 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.349 -4.020 -3.073 1.00 0.00 H new ATOM 1173 N ARG A 65 11.068 -3.067 -5.181 1.00 0.00 N ATOM 1174 CA ARG A 65 12.483 -2.853 -5.487 1.00 0.00 C ATOM 1175 C ARG A 65 12.774 -3.149 -6.952 1.00 0.00 C ATOM 1176 O ARG A 65 13.485 -2.380 -7.595 1.00 0.00 O ATOM 1177 CB ARG A 65 13.339 -3.720 -4.558 1.00 0.00 C ATOM 1178 CG ARG A 65 14.824 -3.352 -4.610 1.00 0.00 C ATOM 1179 CD ARG A 65 15.633 -4.425 -3.879 1.00 0.00 C ATOM 1180 NE ARG A 65 15.974 -5.551 -4.765 1.00 0.00 N ATOM 1181 CZ ARG A 65 17.072 -5.652 -5.529 1.00 0.00 C ATOM 1182 NH1 ARG A 65 17.995 -4.695 -5.565 1.00 0.00 N ATOM 1183 NH2 ARG A 65 17.221 -6.742 -6.265 1.00 0.00 N ATOM 0 H ARG A 65 10.916 -3.650 -4.358 1.00 0.00 H new ATOM 0 HA ARG A 65 12.734 -1.806 -5.318 1.00 0.00 H new ATOM 0 HB2 ARG A 65 12.978 -3.615 -3.535 1.00 0.00 H new ATOM 0 HB3 ARG A 65 13.219 -4.768 -4.832 1.00 0.00 H new ATOM 0 HG2 ARG A 65 15.155 -3.272 -5.645 1.00 0.00 H new ATOM 0 HG3 ARG A 65 14.986 -2.379 -4.147 1.00 0.00 H new ATOM 0 HD2 ARG A 65 16.548 -3.984 -3.483 1.00 0.00 H new ATOM 0 HD3 ARG A 65 15.062 -4.793 -3.027 1.00 0.00 H new ATOM 0 HE ARG A 65 15.313 -6.327 -4.801 1.00 0.00 H new ATOM 0 HH11 ARG A 65 17.879 -3.853 -5.001 1.00 0.00 H new ATOM 0 HH12 ARG A 65 18.819 -4.803 -6.157 1.00 0.00 H new ATOM 0 HH21 ARG A 65 16.512 -7.475 -6.240 1.00 0.00 H new ATOM 0 HH22 ARG A 65 18.045 -6.849 -6.857 1.00 0.00 H new ATOM 1197 N LYS A 66 12.212 -4.230 -7.497 1.00 0.00 N ATOM 1198 CA LYS A 66 12.395 -4.617 -8.888 1.00 0.00 C ATOM 1199 C LYS A 66 11.877 -3.501 -9.783 1.00 0.00 C ATOM 1200 O LYS A 66 12.584 -3.088 -10.698 1.00 0.00 O ATOM 1201 CB LYS A 66 11.655 -5.943 -9.153 1.00 0.00 C ATOM 1202 CG LYS A 66 11.810 -6.442 -10.595 1.00 0.00 C ATOM 1203 CD LYS A 66 11.120 -7.797 -10.823 1.00 0.00 C ATOM 1204 CE LYS A 66 11.714 -8.974 -10.032 1.00 0.00 C ATOM 1205 NZ LYS A 66 13.162 -9.147 -10.270 1.00 0.00 N ATOM 0 H LYS A 66 11.610 -4.866 -6.974 1.00 0.00 H new ATOM 0 HA LYS A 66 13.452 -4.772 -9.106 1.00 0.00 H new ATOM 0 HB2 LYS A 66 12.030 -6.704 -8.469 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.596 -5.811 -8.933 1.00 0.00 H new ATOM 0 HG2 LYS A 66 11.391 -5.704 -11.279 1.00 0.00 H new ATOM 0 HG3 LYS A 66 12.870 -6.532 -10.834 1.00 0.00 H new ATOM 0 HD2 LYS A 66 10.066 -7.699 -10.562 1.00 0.00 H new ATOM 0 HD3 LYS A 66 11.164 -8.035 -11.886 1.00 0.00 H new ATOM 0 HE2 LYS A 66 11.541 -8.815 -8.968 1.00 0.00 H new ATOM 0 HE3 LYS A 66 11.193 -9.891 -10.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 13.494 -10.003 -9.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.337 -9.241 -11.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.675 -8.319 -9.906 1.00 0.00 H new ATOM 1219 N ARG A 67 10.663 -2.995 -9.547 1.00 0.00 N ATOM 1220 CA ARG A 67 10.113 -1.930 -10.382 1.00 0.00 C ATOM 1221 C ARG A 67 10.915 -0.632 -10.298 1.00 0.00 C ATOM 1222 O ARG A 67 11.175 -0.030 -11.335 1.00 0.00 O ATOM 1223 CB ARG A 67 8.632 -1.705 -10.042 1.00 0.00 C ATOM 1224 CG ARG A 67 7.804 -1.212 -11.241 1.00 0.00 C ATOM 1225 CD ARG A 67 7.706 -2.300 -12.321 1.00 0.00 C ATOM 1226 NE ARG A 67 6.637 -2.025 -13.283 1.00 0.00 N ATOM 1227 CZ ARG A 67 6.055 -2.911 -14.095 1.00 0.00 C ATOM 1228 NH1 ARG A 67 6.526 -4.148 -14.205 1.00 0.00 N ATOM 1229 NH2 ARG A 67 4.995 -2.534 -14.802 1.00 0.00 N ATOM 0 H ARG A 67 10.050 -3.303 -8.792 1.00 0.00 H new ATOM 0 HA ARG A 67 10.190 -2.256 -11.419 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.205 -2.637 -9.672 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.558 -0.978 -9.234 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.804 -0.933 -10.908 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.262 -0.316 -11.661 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.657 -2.374 -12.848 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.528 -3.265 -11.848 1.00 0.00 H new ATOM 0 HE ARG A 67 6.304 -1.062 -13.338 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.343 -4.432 -13.665 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.070 -4.813 -14.830 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.639 -1.582 -14.719 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.537 -3.197 -15.428 1.00 0.00 H new ATOM 1243 N ILE A 68 11.345 -0.208 -9.104 1.00 0.00 N ATOM 1244 CA ILE A 68 12.118 1.030 -8.944 1.00 0.00 C ATOM 1245 C ILE A 68 13.609 0.856 -9.295 1.00 0.00 C ATOM 1246 O ILE A 68 14.344 1.843 -9.254 1.00 0.00 O ATOM 1247 CB ILE A 68 11.856 1.678 -7.561 1.00 0.00 C ATOM 1248 CG1 ILE A 68 12.257 0.782 -6.376 1.00 0.00 C ATOM 1249 CG2 ILE A 68 10.373 2.096 -7.457 1.00 0.00 C ATOM 1250 CD1 ILE A 68 12.184 1.465 -5.006 1.00 0.00 C ATOM 0 H ILE A 68 11.170 -0.706 -8.231 1.00 0.00 H new ATOM 0 HA ILE A 68 11.757 1.745 -9.683 1.00 0.00 H new ATOM 0 HB ILE A 68 12.496 2.558 -7.495 1.00 0.00 H new ATOM 0 HG12 ILE A 68 11.610 -0.095 -6.365 1.00 0.00 H new ATOM 0 HG13 ILE A 68 13.274 0.425 -6.536 1.00 0.00 H new ATOM 0 HG21 ILE A 68 10.191 2.551 -6.484 1.00 0.00 H new ATOM 0 HG22 ILE A 68 10.142 2.815 -8.243 1.00 0.00 H new ATOM 0 HG23 ILE A 68 9.738 1.217 -7.571 1.00 0.00 H new ATOM 0 HD11 ILE A 68 12.484 0.759 -4.231 1.00 0.00 H new ATOM 0 HD12 ILE A 68 12.854 2.325 -4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 68 11.163 1.797 -4.819 1.00 0.00 H new ATOM 1262 N HIS A 69 14.035 -0.370 -9.640 1.00 0.00 N ATOM 1263 CA HIS A 69 15.367 -0.830 -10.043 1.00 0.00 C ATOM 1264 C HIS A 69 16.517 0.050 -9.532 1.00 0.00 C ATOM 1265 O HIS A 69 17.311 0.585 -10.311 1.00 0.00 O ATOM 1266 CB HIS A 69 15.375 -1.031 -11.571 1.00 0.00 C ATOM 1267 CG HIS A 69 14.806 0.106 -12.396 1.00 0.00 C ATOM 1268 ND1 HIS A 69 13.901 -0.043 -13.422 1.00 0.00 N ATOM 1269 CD2 HIS A 69 15.025 1.449 -12.244 1.00 0.00 C ATOM 1270 CE1 HIS A 69 13.573 1.175 -13.876 1.00 0.00 C ATOM 1271 NE2 HIS A 69 14.269 2.115 -13.214 1.00 0.00 N ATOM 0 H HIS A 69 13.376 -1.149 -9.642 1.00 0.00 H new ATOM 0 HA HIS A 69 15.563 -1.786 -9.558 1.00 0.00 H new ATOM 0 HB2 HIS A 69 16.403 -1.204 -11.889 1.00 0.00 H new ATOM 0 HB3 HIS A 69 14.813 -1.936 -11.801 1.00 0.00 H new ATOM 0 HD2 HIS A 69 15.666 1.911 -11.508 1.00 0.00 H new ATOM 0 HE1 HIS A 69 12.855 1.372 -14.659 1.00 0.00 H new ATOM 0 HE2 HIS A 69 14.250 3.120 -13.386 1.00 0.00 H new ATOM 1279 N LEU A 70 16.598 0.191 -8.206 1.00 0.00 N ATOM 1280 CA LEU A 70 17.610 1.007 -7.544 1.00 0.00 C ATOM 1281 C LEU A 70 19.025 0.507 -7.805 1.00 0.00 C ATOM 1282 O LEU A 70 19.245 -0.670 -8.123 1.00 0.00 O ATOM 1283 CB LEU A 70 17.378 1.107 -6.032 1.00 0.00 C ATOM 1284 CG LEU A 70 15.978 1.571 -5.604 1.00 0.00 C ATOM 1285 CD1 LEU A 70 15.883 1.547 -4.080 1.00 0.00 C ATOM 1286 CD2 LEU A 70 15.654 2.980 -6.108 1.00 0.00 C ATOM 0 H LEU A 70 15.955 -0.264 -7.559 1.00 0.00 H new ATOM 0 HA LEU A 70 17.509 2.001 -7.980 1.00 0.00 H new ATOM 0 HB2 LEU A 70 17.569 0.130 -5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 70 18.113 1.796 -5.615 1.00 0.00 H new ATOM 0 HG LEU A 70 15.254 0.887 -6.047 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.890 1.876 -3.772 1.00 0.00 H new ATOM 0 HD12 LEU A 70 16.057 0.533 -3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.634 2.215 -3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 70 14.654 3.263 -5.780 1.00 0.00 H new ATOM 0 HD22 LEU A 70 16.381 3.686 -5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 70 15.696 2.996 -7.197 1.00 0.00 H new ATOM 1298 N ARG A 71 19.981 1.430 -7.689 1.00 0.00 N ATOM 1299 CA ARG A 71 21.407 1.172 -7.889 1.00 0.00 C ATOM 1300 C ARG A 71 21.896 0.200 -6.809 1.00 0.00 C ATOM 1301 O ARG A 71 21.232 0.069 -5.780 1.00 0.00 O ATOM 1302 CB ARG A 71 22.188 2.504 -7.836 1.00 0.00 C ATOM 1303 CG ARG A 71 21.678 3.639 -8.750 1.00 0.00 C ATOM 1304 CD ARG A 71 21.631 3.313 -10.247 1.00 0.00 C ATOM 1305 NE ARG A 71 22.928 2.817 -10.743 1.00 0.00 N ATOM 1306 CZ ARG A 71 23.215 1.571 -11.125 1.00 0.00 C ATOM 1307 NH1 ARG A 71 22.236 0.687 -11.287 1.00 0.00 N ATOM 1308 NH2 ARG A 71 24.478 1.207 -11.323 1.00 0.00 N ATOM 0 H ARG A 71 19.780 2.400 -7.448 1.00 0.00 H new ATOM 0 HA ARG A 71 21.575 0.720 -8.867 1.00 0.00 H new ATOM 0 HB2 ARG A 71 22.179 2.864 -6.807 1.00 0.00 H new ATOM 0 HB3 ARG A 71 23.228 2.300 -8.093 1.00 0.00 H new ATOM 0 HG2 ARG A 71 20.676 3.920 -8.426 1.00 0.00 H new ATOM 0 HG3 ARG A 71 22.316 4.511 -8.606 1.00 0.00 H new ATOM 0 HD2 ARG A 71 20.861 2.564 -10.431 1.00 0.00 H new ATOM 0 HD3 ARG A 71 21.347 4.206 -10.804 1.00 0.00 H new ATOM 0 HE ARG A 71 23.685 3.498 -10.800 1.00 0.00 H new ATOM 0 HH11 ARG A 71 21.268 0.962 -11.119 1.00 0.00 H new ATOM 0 HH12 ARG A 71 22.453 -0.266 -11.579 1.00 0.00 H new ATOM 0 HH21 ARG A 71 25.231 1.881 -11.183 1.00 0.00 H new ATOM 0 HH22 ARG A 71 24.694 0.254 -11.615 1.00 0.00 H new ATOM 1322 N PRO A 72 23.045 -0.472 -6.986 1.00 0.00 N ATOM 1323 CA PRO A 72 23.535 -1.407 -5.979 1.00 0.00 C ATOM 1324 C PRO A 72 23.874 -0.675 -4.679 1.00 0.00 C ATOM 1325 O PRO A 72 23.520 -1.146 -3.601 1.00 0.00 O ATOM 1326 CB PRO A 72 24.745 -2.107 -6.599 1.00 0.00 C ATOM 1327 CG PRO A 72 25.215 -1.140 -7.685 1.00 0.00 C ATOM 1328 CD PRO A 72 23.938 -0.435 -8.132 1.00 0.00 C ATOM 0 HA PRO A 72 22.781 -2.144 -5.705 1.00 0.00 H new ATOM 0 HB2 PRO A 72 25.525 -2.286 -5.859 1.00 0.00 H new ATOM 0 HB3 PRO A 72 24.474 -3.076 -7.018 1.00 0.00 H new ATOM 0 HG2 PRO A 72 25.947 -0.431 -7.298 1.00 0.00 H new ATOM 0 HG3 PRO A 72 25.689 -1.669 -8.512 1.00 0.00 H new ATOM 0 HD2 PRO A 72 24.143 0.592 -8.435 1.00 0.00 H new ATOM 0 HD3 PRO A 72 23.493 -0.938 -8.991 1.00 0.00 H new ATOM 1336 N GLU A 73 24.454 0.521 -4.788 1.00 0.00 N ATOM 1337 CA GLU A 73 24.842 1.320 -3.634 1.00 0.00 C ATOM 1338 C GLU A 73 23.667 2.099 -3.026 1.00 0.00 C ATOM 1339 O GLU A 73 23.858 2.802 -2.032 1.00 0.00 O ATOM 1340 CB GLU A 73 25.972 2.285 -4.023 1.00 0.00 C ATOM 1341 CG GLU A 73 27.064 1.724 -4.953 1.00 0.00 C ATOM 1342 CD GLU A 73 27.553 0.304 -4.636 1.00 0.00 C ATOM 1343 OE1 GLU A 73 27.635 -0.052 -3.441 1.00 0.00 O ATOM 1344 OE2 GLU A 73 27.854 -0.416 -5.624 1.00 0.00 O ATOM 0 H GLU A 73 24.667 0.961 -5.683 1.00 0.00 H new ATOM 0 HA GLU A 73 25.191 0.628 -2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 73 25.527 3.155 -4.505 1.00 0.00 H new ATOM 0 HB3 GLU A 73 26.450 2.637 -3.109 1.00 0.00 H new ATOM 0 HG2 GLU A 73 26.685 1.737 -5.975 1.00 0.00 H new ATOM 0 HG3 GLU A 73 27.921 2.397 -4.922 1.00 0.00 H new ATOM 1351 N ASP A 74 22.483 2.081 -3.648 1.00 0.00 N ATOM 1352 CA ASP A 74 21.311 2.779 -3.114 1.00 0.00 C ATOM 1353 C ASP A 74 20.786 1.924 -1.964 1.00 0.00 C ATOM 1354 O ASP A 74 20.858 0.687 -2.019 1.00 0.00 O ATOM 1355 CB ASP A 74 20.181 2.920 -4.152 1.00 0.00 C ATOM 1356 CG ASP A 74 20.331 4.048 -5.177 1.00 0.00 C ATOM 1357 OD1 ASP A 74 21.169 4.962 -5.001 1.00 0.00 O ATOM 1358 OD2 ASP A 74 19.620 4.005 -6.214 1.00 0.00 O ATOM 0 H ASP A 74 22.312 1.588 -4.525 1.00 0.00 H new ATOM 0 HA ASP A 74 21.606 3.784 -2.811 1.00 0.00 H new ATOM 0 HB2 ASP A 74 20.095 1.977 -4.692 1.00 0.00 H new ATOM 0 HB3 ASP A 74 19.243 3.068 -3.617 1.00 0.00 H new ATOM 1363 N ALA A 75 20.253 2.547 -0.915 1.00 0.00 N ATOM 1364 CA ALA A 75 19.701 1.836 0.231 1.00 0.00 C ATOM 1365 C ALA A 75 18.204 1.583 -0.014 1.00 0.00 C ATOM 1366 O ALA A 75 17.683 1.912 -1.086 1.00 0.00 O ATOM 1367 CB ALA A 75 20.020 2.633 1.493 1.00 0.00 C ATOM 0 H ALA A 75 20.193 3.562 -0.838 1.00 0.00 H new ATOM 0 HA ALA A 75 20.150 0.852 0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 75 19.614 2.116 2.362 1.00 0.00 H new ATOM 0 HB2 ALA A 75 21.101 2.729 1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 75 19.573 3.625 1.420 1.00 0.00 H new ATOM 1373 N LEU A 76 17.518 0.881 0.895 1.00 0.00 N ATOM 1374 CA LEU A 76 16.091 0.573 0.768 1.00 0.00 C ATOM 1375 C LEU A 76 15.544 0.137 2.123 1.00 0.00 C ATOM 1376 O LEU A 76 16.030 -0.858 2.663 1.00 0.00 O ATOM 1377 CB LEU A 76 15.897 -0.589 -0.232 1.00 0.00 C ATOM 1378 CG LEU A 76 14.426 -0.972 -0.510 1.00 0.00 C ATOM 1379 CD1 LEU A 76 13.910 -0.277 -1.775 1.00 0.00 C ATOM 1380 CD2 LEU A 76 14.337 -2.493 -0.711 1.00 0.00 C ATOM 0 H LEU A 76 17.941 0.509 1.745 1.00 0.00 H new ATOM 0 HA LEU A 76 15.566 1.461 0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 76 16.371 -0.319 -1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 76 16.420 -1.467 0.148 1.00 0.00 H new ATOM 0 HG LEU A 76 13.817 -0.657 0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 76 12.873 -0.562 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 76 13.973 0.804 -1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 76 14.517 -0.577 -2.629 1.00 0.00 H new ATOM 0 HD21 LEU A 76 13.302 -2.774 -0.908 1.00 0.00 H new ATOM 0 HD22 LEU A 76 14.960 -2.785 -1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 76 14.686 -3.000 0.189 1.00 0.00 H new ATOM 1392 N PHE A 77 14.514 0.818 2.621 1.00 0.00 N ATOM 1393 CA PHE A 77 13.829 0.544 3.877 1.00 0.00 C ATOM 1394 C PHE A 77 12.340 0.844 3.684 1.00 0.00 C ATOM 1395 O PHE A 77 11.974 1.674 2.843 1.00 0.00 O ATOM 1396 CB PHE A 77 14.430 1.372 5.022 1.00 0.00 C ATOM 1397 CG PHE A 77 15.878 1.037 5.325 1.00 0.00 C ATOM 1398 CD1 PHE A 77 16.225 -0.224 5.848 1.00 0.00 C ATOM 1399 CD2 PHE A 77 16.888 1.968 5.028 1.00 0.00 C ATOM 1400 CE1 PHE A 77 17.576 -0.556 6.056 1.00 0.00 C ATOM 1401 CE2 PHE A 77 18.237 1.639 5.237 1.00 0.00 C ATOM 1402 CZ PHE A 77 18.582 0.374 5.745 1.00 0.00 C ATOM 0 H PHE A 77 14.115 1.619 2.131 1.00 0.00 H new ATOM 0 HA PHE A 77 13.955 -0.503 4.152 1.00 0.00 H new ATOM 0 HB2 PHE A 77 14.357 2.430 4.770 1.00 0.00 H new ATOM 0 HB3 PHE A 77 13.835 1.216 5.922 1.00 0.00 H new ATOM 0 HD1 PHE A 77 15.452 -0.938 6.090 1.00 0.00 H new ATOM 0 HD2 PHE A 77 16.626 2.940 4.638 1.00 0.00 H new ATOM 0 HE1 PHE A 77 17.840 -1.525 6.454 1.00 0.00 H new ATOM 0 HE2 PHE A 77 19.010 2.358 5.008 1.00 0.00 H new ATOM 0 HZ PHE A 77 19.620 0.117 5.896 1.00 0.00 H new ATOM 1412 N PHE A 78 11.482 0.140 4.425 1.00 0.00 N ATOM 1413 CA PHE A 78 10.029 0.278 4.397 1.00 0.00 C ATOM 1414 C PHE A 78 9.508 0.357 5.825 1.00 0.00 C ATOM 1415 O PHE A 78 9.984 -0.381 6.694 1.00 0.00 O ATOM 1416 CB PHE A 78 9.392 -0.936 3.711 1.00 0.00 C ATOM 1417 CG PHE A 78 9.489 -0.927 2.206 1.00 0.00 C ATOM 1418 CD1 PHE A 78 10.657 -1.383 1.573 1.00 0.00 C ATOM 1419 CD2 PHE A 78 8.416 -0.440 1.437 1.00 0.00 C ATOM 1420 CE1 PHE A 78 10.764 -1.308 0.178 1.00 0.00 C ATOM 1421 CE2 PHE A 78 8.527 -0.371 0.037 1.00 0.00 C ATOM 1422 CZ PHE A 78 9.718 -0.776 -0.587 1.00 0.00 C ATOM 0 H PHE A 78 11.796 -0.570 5.087 1.00 0.00 H new ATOM 0 HA PHE A 78 9.772 1.182 3.845 1.00 0.00 H new ATOM 0 HB2 PHE A 78 9.868 -1.841 4.088 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.341 -0.987 3.994 1.00 0.00 H new ATOM 0 HD1 PHE A 78 11.468 -1.789 2.159 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.506 -0.119 1.923 1.00 0.00 H new ATOM 0 HE1 PHE A 78 11.659 -1.663 -0.311 1.00 0.00 H new ATOM 0 HE2 PHE A 78 7.700 -0.008 -0.556 1.00 0.00 H new ATOM 0 HZ PHE A 78 9.828 -0.677 -1.657 1.00 0.00 H new ATOM 1432 N PHE A 79 8.480 1.174 6.043 1.00 0.00 N ATOM 1433 CA PHE A 79 7.856 1.384 7.342 1.00 0.00 C ATOM 1434 C PHE A 79 6.336 1.341 7.185 1.00 0.00 C ATOM 1435 O PHE A 79 5.799 1.536 6.087 1.00 0.00 O ATOM 1436 CB PHE A 79 8.336 2.727 7.922 1.00 0.00 C ATOM 1437 CG PHE A 79 9.844 2.820 8.105 1.00 0.00 C ATOM 1438 CD1 PHE A 79 10.676 3.143 7.013 1.00 0.00 C ATOM 1439 CD2 PHE A 79 10.424 2.554 9.359 1.00 0.00 C ATOM 1440 CE1 PHE A 79 12.073 3.159 7.162 1.00 0.00 C ATOM 1441 CE2 PHE A 79 11.822 2.590 9.513 1.00 0.00 C ATOM 1442 CZ PHE A 79 12.646 2.871 8.412 1.00 0.00 C ATOM 0 H PHE A 79 8.048 1.722 5.299 1.00 0.00 H new ATOM 0 HA PHE A 79 8.142 0.596 8.038 1.00 0.00 H new ATOM 0 HB2 PHE A 79 8.010 3.532 7.264 1.00 0.00 H new ATOM 0 HB3 PHE A 79 7.853 2.888 8.886 1.00 0.00 H new ATOM 0 HD1 PHE A 79 10.236 3.380 6.055 1.00 0.00 H new ATOM 0 HD2 PHE A 79 9.795 2.322 10.205 1.00 0.00 H new ATOM 0 HE1 PHE A 79 12.705 3.392 6.318 1.00 0.00 H new ATOM 0 HE2 PHE A 79 12.262 2.401 10.481 1.00 0.00 H new ATOM 0 HZ PHE A 79 13.720 2.866 8.526 1.00 0.00 H new ATOM 1452 N VAL A 80 5.644 0.980 8.259 1.00 0.00 N ATOM 1453 CA VAL A 80 4.192 0.888 8.363 1.00 0.00 C ATOM 1454 C VAL A 80 3.879 1.342 9.783 1.00 0.00 C ATOM 1455 O VAL A 80 4.564 0.896 10.697 1.00 0.00 O ATOM 1456 CB VAL A 80 3.695 -0.541 8.043 1.00 0.00 C ATOM 1457 CG1 VAL A 80 4.505 -1.673 8.694 1.00 0.00 C ATOM 1458 CG2 VAL A 80 2.219 -0.732 8.417 1.00 0.00 C ATOM 0 H VAL A 80 6.108 0.729 9.132 1.00 0.00 H new ATOM 0 HA VAL A 80 3.672 1.513 7.637 1.00 0.00 H new ATOM 0 HB VAL A 80 3.835 -0.619 6.965 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.079 -2.635 8.410 1.00 0.00 H new ATOM 0 HG12 VAL A 80 5.540 -1.621 8.356 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.471 -1.567 9.778 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.911 -1.749 8.176 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.089 -0.557 9.485 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.607 -0.025 7.856 1.00 0.00 H new ATOM 1468 N ASN A 81 2.891 2.216 9.992 1.00 0.00 N ATOM 1469 CA ASN A 81 2.479 2.738 11.301 1.00 0.00 C ATOM 1470 C ASN A 81 3.694 3.147 12.154 1.00 0.00 C ATOM 1471 O ASN A 81 3.737 2.909 13.362 1.00 0.00 O ATOM 1472 CB ASN A 81 1.563 1.713 11.999 1.00 0.00 C ATOM 1473 CG ASN A 81 0.598 2.375 12.979 1.00 0.00 C ATOM 1474 OD1 ASN A 81 0.980 2.930 14.007 1.00 0.00 O ATOM 1475 ND2 ASN A 81 -0.681 2.391 12.658 1.00 0.00 N ATOM 0 H ASN A 81 2.334 2.595 9.226 1.00 0.00 H new ATOM 0 HA ASN A 81 1.903 3.653 11.161 1.00 0.00 H new ATOM 0 HB2 ASN A 81 0.995 1.165 11.247 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.175 0.984 12.531 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.353 2.864 13.263 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.999 1.931 11.805 1.00 0.00 H new ATOM 1482 N ASN A 82 4.714 3.745 11.520 1.00 0.00 N ATOM 1483 CA ASN A 82 5.967 4.186 12.144 1.00 0.00 C ATOM 1484 C ASN A 82 6.583 3.046 12.973 1.00 0.00 C ATOM 1485 O ASN A 82 7.177 3.272 14.025 1.00 0.00 O ATOM 1486 CB ASN A 82 5.755 5.481 12.952 1.00 0.00 C ATOM 1487 CG ASN A 82 5.046 6.576 12.163 1.00 0.00 C ATOM 1488 OD1 ASN A 82 3.928 6.966 12.491 1.00 0.00 O ATOM 1489 ND2 ASN A 82 5.633 7.058 11.083 1.00 0.00 N ATOM 0 H ASN A 82 4.686 3.941 10.520 1.00 0.00 H new ATOM 0 HA ASN A 82 6.689 4.432 11.365 1.00 0.00 H new ATOM 0 HB2 ASN A 82 5.174 5.252 13.845 1.00 0.00 H new ATOM 0 HB3 ASN A 82 6.723 5.854 13.288 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.158 7.759 10.514 1.00 0.00 H new ATOM 0 HD22 ASN A 82 6.561 6.729 10.817 1.00 0.00 H new ATOM 1496 N THR A 83 6.431 1.813 12.494 1.00 0.00 N ATOM 1497 CA THR A 83 6.869 0.548 13.057 1.00 0.00 C ATOM 1498 C THR A 83 7.701 -0.193 11.996 1.00 0.00 C ATOM 1499 O THR A 83 7.535 0.039 10.792 1.00 0.00 O ATOM 1500 CB THR A 83 5.604 -0.209 13.521 1.00 0.00 C ATOM 1501 OG1 THR A 83 4.870 0.604 14.429 1.00 0.00 O ATOM 1502 CG2 THR A 83 5.891 -1.538 14.220 1.00 0.00 C ATOM 0 H THR A 83 5.946 1.666 11.609 1.00 0.00 H new ATOM 0 HA THR A 83 7.517 0.660 13.926 1.00 0.00 H new ATOM 0 HB THR A 83 5.044 -0.428 12.612 1.00 0.00 H new ATOM 0 HG1 THR A 83 4.463 1.352 13.943 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.951 -2.005 14.514 1.00 0.00 H new ATOM 0 HG22 THR A 83 6.427 -2.199 13.539 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.500 -1.359 15.106 1.00 0.00 H new ATOM 1510 N ILE A 84 8.610 -1.067 12.444 1.00 0.00 N ATOM 1511 CA ILE A 84 9.512 -1.847 11.599 1.00 0.00 C ATOM 1512 C ILE A 84 9.203 -3.352 11.745 1.00 0.00 C ATOM 1513 O ILE A 84 9.796 -4.014 12.602 1.00 0.00 O ATOM 1514 CB ILE A 84 10.985 -1.508 11.940 1.00 0.00 C ATOM 1515 CG1 ILE A 84 11.234 0.009 12.104 1.00 0.00 C ATOM 1516 CG2 ILE A 84 11.880 -2.072 10.824 1.00 0.00 C ATOM 1517 CD1 ILE A 84 12.672 0.368 12.494 1.00 0.00 C ATOM 0 H ILE A 84 8.739 -1.254 13.438 1.00 0.00 H new ATOM 0 HA ILE A 84 9.356 -1.586 10.552 1.00 0.00 H new ATOM 0 HB ILE A 84 11.223 -1.961 12.902 1.00 0.00 H new ATOM 0 HG12 ILE A 84 10.987 0.510 11.168 1.00 0.00 H new ATOM 0 HG13 ILE A 84 10.555 0.398 12.863 1.00 0.00 H new ATOM 0 HG21 ILE A 84 12.923 -1.844 11.044 1.00 0.00 H new ATOM 0 HG22 ILE A 84 11.749 -3.152 10.764 1.00 0.00 H new ATOM 0 HG23 ILE A 84 11.603 -1.619 9.872 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.764 1.450 12.589 1.00 0.00 H new ATOM 0 HD12 ILE A 84 12.919 -0.102 13.446 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.357 0.012 11.725 1.00 0.00 H new ATOM 1529 N PRO A 85 8.289 -3.922 10.940 1.00 0.00 N ATOM 1530 CA PRO A 85 7.953 -5.339 11.032 1.00 0.00 C ATOM 1531 C PRO A 85 9.099 -6.231 10.530 1.00 0.00 C ATOM 1532 O PRO A 85 9.912 -5.791 9.713 1.00 0.00 O ATOM 1533 CB PRO A 85 6.719 -5.516 10.144 1.00 0.00 C ATOM 1534 CG PRO A 85 6.881 -4.422 9.094 1.00 0.00 C ATOM 1535 CD PRO A 85 7.516 -3.279 9.888 1.00 0.00 C ATOM 0 HA PRO A 85 7.772 -5.632 12.066 1.00 0.00 H new ATOM 0 HB2 PRO A 85 6.689 -6.507 9.691 1.00 0.00 H new ATOM 0 HB3 PRO A 85 5.795 -5.396 10.710 1.00 0.00 H new ATOM 0 HG2 PRO A 85 7.517 -4.744 8.270 1.00 0.00 H new ATOM 0 HG3 PRO A 85 5.923 -4.131 8.662 1.00 0.00 H new ATOM 0 HD2 PRO A 85 8.153 -2.665 9.252 1.00 0.00 H new ATOM 0 HD3 PRO A 85 6.755 -2.621 10.306 1.00 0.00 H new ATOM 1543 N PRO A 86 9.159 -7.503 10.964 1.00 0.00 N ATOM 1544 CA PRO A 86 10.197 -8.423 10.523 1.00 0.00 C ATOM 1545 C PRO A 86 9.942 -8.842 9.078 1.00 0.00 C ATOM 1546 O PRO A 86 8.800 -8.874 8.621 1.00 0.00 O ATOM 1547 CB PRO A 86 10.056 -9.654 11.426 1.00 0.00 C ATOM 1548 CG PRO A 86 8.583 -9.643 11.820 1.00 0.00 C ATOM 1549 CD PRO A 86 8.271 -8.150 11.919 1.00 0.00 C ATOM 0 HA PRO A 86 11.187 -7.970 10.579 1.00 0.00 H new ATOM 0 HB2 PRO A 86 10.323 -10.570 10.899 1.00 0.00 H new ATOM 0 HB3 PRO A 86 10.705 -9.587 12.299 1.00 0.00 H new ATOM 0 HG2 PRO A 86 7.961 -10.138 11.074 1.00 0.00 H new ATOM 0 HG3 PRO A 86 8.414 -10.155 12.767 1.00 0.00 H new ATOM 0 HD2 PRO A 86 7.226 -7.951 11.681 1.00 0.00 H new ATOM 0 HD3 PRO A 86 8.444 -7.779 12.929 1.00 0.00 H new ATOM 1557 N THR A 87 10.983 -9.272 8.373 1.00 0.00 N ATOM 1558 CA THR A 87 10.888 -9.742 6.992 1.00 0.00 C ATOM 1559 C THR A 87 9.978 -10.976 6.905 1.00 0.00 C ATOM 1560 O THR A 87 9.332 -11.206 5.879 1.00 0.00 O ATOM 1561 CB THR A 87 12.305 -10.057 6.486 1.00 0.00 C ATOM 1562 OG1 THR A 87 13.093 -10.562 7.552 1.00 0.00 O ATOM 1563 CG2 THR A 87 12.974 -8.808 5.912 1.00 0.00 C ATOM 0 H THR A 87 11.931 -9.305 8.749 1.00 0.00 H new ATOM 0 HA THR A 87 10.445 -8.970 6.364 1.00 0.00 H new ATOM 0 HB THR A 87 12.225 -10.803 5.696 1.00 0.00 H new ATOM 0 HG1 THR A 87 13.995 -10.763 7.225 1.00 0.00 H new ATOM 0 HG21 THR A 87 13.975 -9.060 5.562 1.00 0.00 H new ATOM 0 HG22 THR A 87 12.383 -8.429 5.079 1.00 0.00 H new ATOM 0 HG23 THR A 87 13.042 -8.044 6.686 1.00 0.00 H new ATOM 1571 N SER A 88 9.895 -11.739 7.998 1.00 0.00 N ATOM 1572 CA SER A 88 9.083 -12.934 8.149 1.00 0.00 C ATOM 1573 C SER A 88 7.609 -12.583 8.404 1.00 0.00 C ATOM 1574 O SER A 88 6.800 -13.489 8.618 1.00 0.00 O ATOM 1575 CB SER A 88 9.649 -13.784 9.294 1.00 0.00 C ATOM 1576 OG SER A 88 11.067 -13.805 9.269 1.00 0.00 O ATOM 0 H SER A 88 10.424 -11.522 8.843 1.00 0.00 H new ATOM 0 HA SER A 88 9.119 -13.505 7.221 1.00 0.00 H new ATOM 0 HB2 SER A 88 9.306 -13.386 10.249 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.267 -14.802 9.217 1.00 0.00 H new ATOM 0 HG SER A 88 11.399 -14.353 10.011 1.00 0.00 H new ATOM 1582 N ALA A 89 7.239 -11.300 8.491 1.00 0.00 N ATOM 1583 CA ALA A 89 5.852 -10.904 8.706 1.00 0.00 C ATOM 1584 C ALA A 89 5.050 -11.202 7.436 1.00 0.00 C ATOM 1585 O ALA A 89 5.598 -11.550 6.384 1.00 0.00 O ATOM 1586 CB ALA A 89 5.747 -9.412 9.056 1.00 0.00 C ATOM 0 H ALA A 89 7.889 -10.518 8.415 1.00 0.00 H new ATOM 0 HA ALA A 89 5.449 -11.470 9.546 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.701 -9.147 9.210 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.310 -9.212 9.967 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.155 -8.817 8.239 1.00 0.00 H new ATOM 1592 N THR A 90 3.743 -11.025 7.526 1.00 0.00 N ATOM 1593 CA THR A 90 2.794 -11.233 6.453 1.00 0.00 C ATOM 1594 C THR A 90 1.901 -10.001 6.387 1.00 0.00 C ATOM 1595 O THR A 90 1.799 -9.235 7.354 1.00 0.00 O ATOM 1596 CB THR A 90 1.963 -12.498 6.744 1.00 0.00 C ATOM 1597 OG1 THR A 90 1.459 -12.412 8.065 1.00 0.00 O ATOM 1598 CG2 THR A 90 2.795 -13.775 6.599 1.00 0.00 C ATOM 0 H THR A 90 3.297 -10.718 8.390 1.00 0.00 H new ATOM 0 HA THR A 90 3.300 -11.375 5.498 1.00 0.00 H new ATOM 0 HB THR A 90 1.151 -12.551 6.019 1.00 0.00 H new ATOM 0 HG1 THR A 90 0.926 -13.210 8.264 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.171 -14.642 6.813 1.00 0.00 H new ATOM 0 HG22 THR A 90 3.178 -13.846 5.581 1.00 0.00 H new ATOM 0 HG23 THR A 90 3.629 -13.747 7.300 1.00 0.00 H new ATOM 1606 N MET A 91 1.253 -9.806 5.241 1.00 0.00 N ATOM 1607 CA MET A 91 0.338 -8.695 5.053 1.00 0.00 C ATOM 1608 C MET A 91 -0.820 -8.851 6.039 1.00 0.00 C ATOM 1609 O MET A 91 -1.318 -7.851 6.549 1.00 0.00 O ATOM 1610 CB MET A 91 -0.145 -8.675 3.597 1.00 0.00 C ATOM 1611 CG MET A 91 0.885 -7.959 2.712 1.00 0.00 C ATOM 1612 SD MET A 91 1.218 -6.214 3.119 1.00 0.00 S ATOM 1613 CE MET A 91 -0.427 -5.521 3.443 1.00 0.00 C ATOM 0 H MET A 91 1.349 -10.411 4.426 1.00 0.00 H new ATOM 0 HA MET A 91 0.831 -7.742 5.248 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.296 -9.694 3.241 1.00 0.00 H new ATOM 0 HB3 MET A 91 -1.108 -8.168 3.532 1.00 0.00 H new ATOM 0 HG2 MET A 91 1.825 -8.509 2.766 1.00 0.00 H new ATOM 0 HG3 MET A 91 0.544 -8.011 1.678 1.00 0.00 H new ATOM 0 HE1 MET A 91 -0.333 -4.466 3.699 1.00 0.00 H new ATOM 0 HE2 MET A 91 -1.047 -5.625 2.553 1.00 0.00 H new ATOM 0 HE3 MET A 91 -0.890 -6.056 4.272 1.00 0.00 H new ATOM 1623 N GLY A 92 -1.203 -10.092 6.341 1.00 0.00 N ATOM 1624 CA GLY A 92 -2.255 -10.464 7.256 1.00 0.00 C ATOM 1625 C GLY A 92 -1.887 -10.031 8.665 1.00 0.00 C ATOM 1626 O GLY A 92 -2.704 -9.375 9.305 1.00 0.00 O ATOM 0 H GLY A 92 -0.753 -10.906 5.922 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.193 -9.997 6.955 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.411 -11.542 7.226 1.00 0.00 H new ATOM 1630 N GLN A 93 -0.667 -10.325 9.127 1.00 0.00 N ATOM 1631 CA GLN A 93 -0.235 -9.966 10.471 1.00 0.00 C ATOM 1632 C GLN A 93 -0.302 -8.462 10.727 1.00 0.00 C ATOM 1633 O GLN A 93 -0.897 -8.060 11.723 1.00 0.00 O ATOM 1634 CB GLN A 93 1.205 -10.462 10.707 1.00 0.00 C ATOM 1635 CG GLN A 93 1.711 -10.220 12.140 1.00 0.00 C ATOM 1636 CD GLN A 93 1.024 -11.157 13.126 1.00 0.00 C ATOM 1637 OE1 GLN A 93 1.494 -12.276 13.326 1.00 0.00 O ATOM 1638 NE2 GLN A 93 -0.094 -10.760 13.711 1.00 0.00 N ATOM 0 H GLN A 93 0.040 -10.815 8.580 1.00 0.00 H new ATOM 0 HA GLN A 93 -0.922 -10.448 11.167 1.00 0.00 H new ATOM 0 HB2 GLN A 93 1.254 -11.529 10.488 1.00 0.00 H new ATOM 0 HB3 GLN A 93 1.873 -9.962 10.005 1.00 0.00 H new ATOM 0 HG2 GLN A 93 2.790 -10.372 12.179 1.00 0.00 H new ATOM 0 HG3 GLN A 93 1.524 -9.185 12.426 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -0.462 -9.827 13.528 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.588 -11.387 14.346 1.00 0.00 H new ATOM 1647 N LEU A 94 0.299 -7.650 9.848 1.00 0.00 N ATOM 1648 CA LEU A 94 0.294 -6.205 10.032 1.00 0.00 C ATOM 1649 C LEU A 94 -1.123 -5.665 9.863 1.00 0.00 C ATOM 1650 O LEU A 94 -1.546 -4.833 10.653 1.00 0.00 O ATOM 1651 CB LEU A 94 1.376 -5.514 9.178 1.00 0.00 C ATOM 1652 CG LEU A 94 1.258 -5.655 7.648 1.00 0.00 C ATOM 1653 CD1 LEU A 94 0.489 -4.492 7.015 1.00 0.00 C ATOM 1654 CD2 LEU A 94 2.647 -5.713 7.004 1.00 0.00 C ATOM 0 H LEU A 94 0.788 -7.971 9.013 1.00 0.00 H new ATOM 0 HA LEU A 94 0.583 -5.960 11.054 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.372 -4.451 9.421 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.347 -5.906 9.480 1.00 0.00 H new ATOM 0 HG LEU A 94 0.711 -6.580 7.467 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.433 -4.637 5.936 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.519 -4.454 7.429 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.005 -3.556 7.229 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.543 -5.813 5.924 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.193 -4.798 7.233 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.194 -6.570 7.396 1.00 0.00 H new ATOM 1666 N TYR A 95 -1.890 -6.137 8.881 1.00 0.00 N ATOM 1667 CA TYR A 95 -3.262 -5.688 8.667 1.00 0.00 C ATOM 1668 C TYR A 95 -4.148 -6.039 9.864 1.00 0.00 C ATOM 1669 O TYR A 95 -5.110 -5.329 10.146 1.00 0.00 O ATOM 1670 CB TYR A 95 -3.785 -6.266 7.357 1.00 0.00 C ATOM 1671 CG TYR A 95 -5.242 -6.034 7.006 1.00 0.00 C ATOM 1672 CD1 TYR A 95 -5.882 -4.792 7.204 1.00 0.00 C ATOM 1673 CD2 TYR A 95 -5.951 -7.085 6.409 1.00 0.00 C ATOM 1674 CE1 TYR A 95 -7.191 -4.580 6.732 1.00 0.00 C ATOM 1675 CE2 TYR A 95 -7.263 -6.890 5.970 1.00 0.00 C ATOM 1676 CZ TYR A 95 -7.875 -5.626 6.074 1.00 0.00 C ATOM 1677 OH TYR A 95 -9.102 -5.425 5.520 1.00 0.00 O ATOM 0 H TYR A 95 -1.577 -6.841 8.213 1.00 0.00 H new ATOM 0 HA TYR A 95 -3.283 -4.601 8.584 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.178 -5.860 6.548 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.614 -7.342 7.375 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.364 -3.998 7.721 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -5.481 -8.050 6.288 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.670 -3.622 6.872 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.813 -7.717 5.547 1.00 0.00 H new ATOM 0 HH TYR A 95 -9.103 -5.758 4.598 1.00 0.00 H new ATOM 1687 N GLU A 96 -3.914 -7.182 10.508 1.00 0.00 N ATOM 1688 CA GLU A 96 -4.665 -7.645 11.667 1.00 0.00 C ATOM 1689 C GLU A 96 -4.375 -6.716 12.844 1.00 0.00 C ATOM 1690 O GLU A 96 -5.303 -6.266 13.511 1.00 0.00 O ATOM 1691 CB GLU A 96 -4.273 -9.103 11.979 1.00 0.00 C ATOM 1692 CG GLU A 96 -5.023 -9.731 13.157 1.00 0.00 C ATOM 1693 CD GLU A 96 -4.522 -11.153 13.420 1.00 0.00 C ATOM 1694 OE1 GLU A 96 -5.017 -12.103 12.766 1.00 0.00 O ATOM 1695 OE2 GLU A 96 -3.641 -11.319 14.297 1.00 0.00 O ATOM 0 H GLU A 96 -3.175 -7.827 10.227 1.00 0.00 H new ATOM 0 HA GLU A 96 -5.737 -7.623 11.469 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -4.448 -9.710 11.090 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.203 -9.141 12.186 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -4.885 -9.121 14.049 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.092 -9.750 12.946 1.00 0.00 H new ATOM 1702 N ASP A 97 -3.098 -6.394 13.047 1.00 0.00 N ATOM 1703 CA ASP A 97 -2.596 -5.548 14.124 1.00 0.00 C ATOM 1704 C ASP A 97 -2.899 -4.051 13.956 1.00 0.00 C ATOM 1705 O ASP A 97 -3.123 -3.348 14.941 1.00 0.00 O ATOM 1706 CB ASP A 97 -1.084 -5.789 14.210 1.00 0.00 C ATOM 1707 CG ASP A 97 -0.517 -5.385 15.562 1.00 0.00 C ATOM 1708 OD1 ASP A 97 -0.709 -6.153 16.534 1.00 0.00 O ATOM 1709 OD2 ASP A 97 0.205 -4.369 15.639 1.00 0.00 O ATOM 0 H ASP A 97 -2.354 -6.732 12.437 1.00 0.00 H new ATOM 0 HA ASP A 97 -3.112 -5.823 15.044 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -0.874 -6.843 14.030 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -0.582 -5.225 13.424 1.00 0.00 H new ATOM 1714 N ASN A 98 -2.968 -3.576 12.708 1.00 0.00 N ATOM 1715 CA ASN A 98 -3.231 -2.190 12.285 1.00 0.00 C ATOM 1716 C ASN A 98 -4.674 -1.950 11.829 1.00 0.00 C ATOM 1717 O ASN A 98 -4.966 -0.882 11.288 1.00 0.00 O ATOM 1718 CB ASN A 98 -2.235 -1.738 11.195 1.00 0.00 C ATOM 1719 CG ASN A 98 -0.842 -1.472 11.733 1.00 0.00 C ATOM 1720 OD1 ASN A 98 0.150 -1.959 11.199 1.00 0.00 O ATOM 1721 ND2 ASN A 98 -0.717 -0.679 12.781 1.00 0.00 N ATOM 0 H ASN A 98 -2.832 -4.192 11.907 1.00 0.00 H new ATOM 0 HA ASN A 98 -3.084 -1.579 13.175 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -2.179 -2.505 10.422 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.613 -0.833 10.719 1.00 0.00 H new ATOM 0 HD21 ASN A 98 0.209 -0.467 13.153 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.546 -0.278 13.219 1.00 0.00 H new ATOM 1728 N HIS A 99 -5.535 -2.965 11.906 1.00 0.00 N ATOM 1729 CA HIS A 99 -6.938 -2.944 11.507 1.00 0.00 C ATOM 1730 C HIS A 99 -7.690 -1.630 11.790 1.00 0.00 C ATOM 1731 O HIS A 99 -7.903 -1.259 12.943 1.00 0.00 O ATOM 1732 CB HIS A 99 -7.668 -4.160 12.102 1.00 0.00 C ATOM 1733 CG HIS A 99 -7.867 -4.213 13.606 1.00 0.00 C ATOM 1734 ND1 HIS A 99 -8.867 -4.926 14.230 1.00 0.00 N ATOM 1735 CD2 HIS A 99 -7.117 -3.622 14.593 1.00 0.00 C ATOM 1736 CE1 HIS A 99 -8.724 -4.778 15.556 1.00 0.00 C ATOM 1737 NE2 HIS A 99 -7.690 -3.967 15.823 1.00 0.00 N ATOM 0 H HIS A 99 -5.253 -3.875 12.270 1.00 0.00 H new ATOM 0 HA HIS A 99 -6.937 -3.006 10.419 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -8.651 -4.220 11.634 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.119 -5.055 11.807 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.244 -3.003 14.447 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -9.351 -5.245 16.301 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.380 -3.660 16.745 1.00 0.00 H new ATOM 1745 N GLU A 100 -8.107 -0.944 10.723 1.00 0.00 N ATOM 1746 CA GLU A 100 -8.859 0.301 10.774 1.00 0.00 C ATOM 1747 C GLU A 100 -10.288 -0.013 10.345 1.00 0.00 C ATOM 1748 O GLU A 100 -10.559 -1.018 9.676 1.00 0.00 O ATOM 1749 CB GLU A 100 -8.266 1.384 9.847 1.00 0.00 C ATOM 1750 CG GLU A 100 -6.940 1.994 10.319 1.00 0.00 C ATOM 1751 CD GLU A 100 -7.091 2.888 11.557 1.00 0.00 C ATOM 1752 OE1 GLU A 100 -7.340 2.357 12.666 1.00 0.00 O ATOM 1753 OE2 GLU A 100 -6.894 4.120 11.432 1.00 0.00 O ATOM 0 H GLU A 100 -7.921 -1.255 9.770 1.00 0.00 H new ATOM 0 HA GLU A 100 -8.819 0.699 11.788 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.116 0.951 8.858 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -8.997 2.185 9.737 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -6.238 1.191 10.543 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -6.508 2.579 9.507 1.00 0.00 H new ATOM 1760 N GLU A 101 -11.208 0.887 10.676 1.00 0.00 N ATOM 1761 CA GLU A 101 -12.622 0.760 10.358 1.00 0.00 C ATOM 1762 C GLU A 101 -12.920 1.055 8.883 1.00 0.00 C ATOM 1763 O GLU A 101 -14.009 0.740 8.398 1.00 0.00 O ATOM 1764 CB GLU A 101 -13.424 1.663 11.301 1.00 0.00 C ATOM 1765 CG GLU A 101 -13.294 3.180 11.079 1.00 0.00 C ATOM 1766 CD GLU A 101 -12.154 3.743 11.922 1.00 0.00 C ATOM 1767 OE1 GLU A 101 -10.972 3.600 11.541 1.00 0.00 O ATOM 1768 OE2 GLU A 101 -12.450 4.235 13.035 1.00 0.00 O ATOM 0 H GLU A 101 -10.984 1.743 11.184 1.00 0.00 H new ATOM 0 HA GLU A 101 -12.925 -0.276 10.510 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -14.477 1.395 11.215 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.121 1.441 12.324 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.111 3.386 10.024 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.229 3.674 11.343 1.00 0.00 H new ATOM 1775 N ASP A 102 -11.943 1.628 8.179 1.00 0.00 N ATOM 1776 CA ASP A 102 -11.982 1.995 6.761 1.00 0.00 C ATOM 1777 C ASP A 102 -11.250 0.923 5.934 1.00 0.00 C ATOM 1778 O ASP A 102 -11.053 1.067 4.725 1.00 0.00 O ATOM 1779 CB ASP A 102 -11.294 3.348 6.554 1.00 0.00 C ATOM 1780 CG ASP A 102 -12.036 4.547 7.122 1.00 0.00 C ATOM 1781 OD1 ASP A 102 -13.220 4.384 7.493 1.00 0.00 O ATOM 1782 OD2 ASP A 102 -11.378 5.610 7.192 1.00 0.00 O ATOM 0 H ASP A 102 -11.048 1.863 8.609 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.021 2.065 6.439 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.303 3.307 7.007 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -11.149 3.504 5.485 1.00 0.00 H new ATOM 1787 N TYR A 103 -10.781 -0.142 6.595 1.00 0.00 N ATOM 1788 CA TYR A 103 -10.093 -1.301 6.045 1.00 0.00 C ATOM 1789 C TYR A 103 -8.976 -0.980 5.032 1.00 0.00 C ATOM 1790 O TYR A 103 -9.039 -1.440 3.892 1.00 0.00 O ATOM 1791 CB TYR A 103 -11.194 -2.223 5.467 1.00 0.00 C ATOM 1792 CG TYR A 103 -12.386 -2.467 6.393 1.00 0.00 C ATOM 1793 CD1 TYR A 103 -12.201 -2.904 7.720 1.00 0.00 C ATOM 1794 CD2 TYR A 103 -13.687 -2.152 5.956 1.00 0.00 C ATOM 1795 CE1 TYR A 103 -13.295 -3.010 8.599 1.00 0.00 C ATOM 1796 CE2 TYR A 103 -14.791 -2.267 6.820 1.00 0.00 C ATOM 1797 CZ TYR A 103 -14.596 -2.681 8.155 1.00 0.00 C ATOM 1798 OH TYR A 103 -15.668 -2.815 8.986 1.00 0.00 O ATOM 0 H TYR A 103 -10.884 -0.215 7.607 1.00 0.00 H new ATOM 0 HA TYR A 103 -9.535 -1.798 6.838 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -11.559 -1.788 4.537 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.746 -3.184 5.215 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -11.210 -3.160 8.066 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -13.840 -1.817 4.941 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -13.140 -3.343 9.615 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -15.785 -2.039 6.463 1.00 0.00 H new ATOM 0 HH TYR A 103 -16.483 -2.542 8.515 1.00 0.00 H new ATOM 1808 N PHE A 104 -7.974 -0.165 5.386 1.00 0.00 N ATOM 1809 CA PHE A 104 -6.847 0.197 4.510 1.00 0.00 C ATOM 1810 C PHE A 104 -5.546 0.210 5.299 1.00 0.00 C ATOM 1811 O PHE A 104 -5.588 0.402 6.515 1.00 0.00 O ATOM 1812 CB PHE A 104 -7.041 1.554 3.811 1.00 0.00 C ATOM 1813 CG PHE A 104 -6.847 2.776 4.686 1.00 0.00 C ATOM 1814 CD1 PHE A 104 -7.876 3.185 5.551 1.00 0.00 C ATOM 1815 CD2 PHE A 104 -5.641 3.502 4.643 1.00 0.00 C ATOM 1816 CE1 PHE A 104 -7.706 4.314 6.371 1.00 0.00 C ATOM 1817 CE2 PHE A 104 -5.470 4.626 5.466 1.00 0.00 C ATOM 1818 CZ PHE A 104 -6.501 5.033 6.328 1.00 0.00 C ATOM 0 H PHE A 104 -7.921 0.271 6.307 1.00 0.00 H new ATOM 0 HA PHE A 104 -6.804 -0.565 3.731 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -6.345 1.614 2.975 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.047 1.586 3.392 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.802 2.630 5.586 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.848 3.194 3.977 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.500 4.627 7.032 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.543 5.179 5.436 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.367 5.900 6.958 1.00 0.00 H new ATOM 1828 N LEU A 105 -4.411 -0.008 4.623 1.00 0.00 N ATOM 1829 CA LEU A 105 -3.097 -0.005 5.262 1.00 0.00 C ATOM 1830 C LEU A 105 -2.143 0.889 4.474 1.00 0.00 C ATOM 1831 O LEU A 105 -1.955 0.708 3.273 1.00 0.00 O ATOM 1832 CB LEU A 105 -2.560 -1.451 5.372 1.00 0.00 C ATOM 1833 CG LEU A 105 -2.354 -1.962 6.812 1.00 0.00 C ATOM 1834 CD1 LEU A 105 -1.188 -1.262 7.512 1.00 0.00 C ATOM 1835 CD2 LEU A 105 -3.612 -1.820 7.662 1.00 0.00 C ATOM 0 H LEU A 105 -4.382 -0.191 3.620 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.180 0.397 6.272 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -3.253 -2.120 4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.609 -1.511 4.842 1.00 0.00 H new ATOM 0 HG LEU A 105 -2.118 -3.022 6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -1.082 -1.655 8.523 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -0.269 -1.441 6.955 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -1.382 -0.190 7.558 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.416 -2.193 8.667 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.899 -0.770 7.715 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -4.422 -2.395 7.213 1.00 0.00 H new ATOM 1847 N TYR A 106 -1.488 1.815 5.156 1.00 0.00 N ATOM 1848 CA TYR A 106 -0.528 2.750 4.588 1.00 0.00 C ATOM 1849 C TYR A 106 0.881 2.159 4.675 1.00 0.00 C ATOM 1850 O TYR A 106 1.191 1.456 5.644 1.00 0.00 O ATOM 1851 CB TYR A 106 -0.636 4.057 5.377 1.00 0.00 C ATOM 1852 CG TYR A 106 0.402 5.110 5.056 1.00 0.00 C ATOM 1853 CD1 TYR A 106 0.277 5.863 3.878 1.00 0.00 C ATOM 1854 CD2 TYR A 106 1.442 5.391 5.964 1.00 0.00 C ATOM 1855 CE1 TYR A 106 1.127 6.955 3.654 1.00 0.00 C ATOM 1856 CE2 TYR A 106 2.323 6.462 5.727 1.00 0.00 C ATOM 1857 CZ TYR A 106 2.142 7.271 4.585 1.00 0.00 C ATOM 1858 OH TYR A 106 2.907 8.378 4.381 1.00 0.00 O ATOM 0 H TYR A 106 -1.615 1.941 6.160 1.00 0.00 H new ATOM 0 HA TYR A 106 -0.736 2.941 3.535 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -1.624 4.483 5.203 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -0.572 3.824 6.440 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -0.473 5.602 3.146 1.00 0.00 H new ATOM 0 HD2 TYR A 106 1.564 4.781 6.847 1.00 0.00 H new ATOM 0 HE1 TYR A 106 1.006 7.557 2.766 1.00 0.00 H new ATOM 0 HE2 TYR A 106 3.132 6.663 6.414 1.00 0.00 H new ATOM 0 HH TYR A 106 3.560 8.462 5.107 1.00 0.00 H new ATOM 1868 N VAL A 107 1.712 2.371 3.652 1.00 0.00 N ATOM 1869 CA VAL A 107 3.094 1.910 3.591 1.00 0.00 C ATOM 1870 C VAL A 107 3.949 3.045 3.038 1.00 0.00 C ATOM 1871 O VAL A 107 3.549 3.698 2.068 1.00 0.00 O ATOM 1872 CB VAL A 107 3.232 0.615 2.757 1.00 0.00 C ATOM 1873 CG1 VAL A 107 2.884 0.748 1.269 1.00 0.00 C ATOM 1874 CG2 VAL A 107 4.662 0.072 2.854 1.00 0.00 C ATOM 0 H VAL A 107 1.429 2.885 2.818 1.00 0.00 H new ATOM 0 HA VAL A 107 3.440 1.650 4.591 1.00 0.00 H new ATOM 0 HB VAL A 107 2.498 -0.063 3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 107 3.014 -0.216 0.777 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.848 1.071 1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.542 1.483 0.806 1.00 0.00 H new ATOM 0 HG21 VAL A 107 4.746 -0.840 2.263 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.361 0.817 2.473 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.898 -0.148 3.895 1.00 0.00 H new ATOM 1884 N ALA A 108 5.122 3.274 3.630 1.00 0.00 N ATOM 1885 CA ALA A 108 6.037 4.305 3.174 1.00 0.00 C ATOM 1886 C ALA A 108 7.409 3.675 2.940 1.00 0.00 C ATOM 1887 O ALA A 108 7.772 2.727 3.643 1.00 0.00 O ATOM 1888 CB ALA A 108 6.055 5.498 4.130 1.00 0.00 C ATOM 0 H ALA A 108 5.458 2.748 4.437 1.00 0.00 H new ATOM 0 HA ALA A 108 5.699 4.719 2.224 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.750 6.251 3.759 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.055 5.927 4.195 1.00 0.00 H new ATOM 0 HB3 ALA A 108 6.373 5.167 5.119 1.00 0.00 H new ATOM 1894 N TYR A 109 8.156 4.180 1.952 1.00 0.00 N ATOM 1895 CA TYR A 109 9.493 3.684 1.610 1.00 0.00 C ATOM 1896 C TYR A 109 10.486 4.841 1.538 1.00 0.00 C ATOM 1897 O TYR A 109 10.114 5.930 1.093 1.00 0.00 O ATOM 1898 CB TYR A 109 9.439 2.806 0.346 1.00 0.00 C ATOM 1899 CG TYR A 109 9.201 3.452 -1.014 1.00 0.00 C ATOM 1900 CD1 TYR A 109 7.928 3.945 -1.348 1.00 0.00 C ATOM 1901 CD2 TYR A 109 10.217 3.469 -1.990 1.00 0.00 C ATOM 1902 CE1 TYR A 109 7.685 4.527 -2.606 1.00 0.00 C ATOM 1903 CE2 TYR A 109 9.972 4.012 -3.268 1.00 0.00 C ATOM 1904 CZ TYR A 109 8.715 4.583 -3.572 1.00 0.00 C ATOM 1905 OH TYR A 109 8.466 5.163 -4.784 1.00 0.00 O ATOM 0 H TYR A 109 7.846 4.952 1.362 1.00 0.00 H new ATOM 0 HA TYR A 109 9.862 3.029 2.400 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.382 2.262 0.287 1.00 0.00 H new ATOM 0 HB3 TYR A 109 8.653 2.066 0.497 1.00 0.00 H new ATOM 0 HD1 TYR A 109 7.125 3.876 -0.629 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.190 3.063 -1.758 1.00 0.00 H new ATOM 0 HE1 TYR A 109 6.710 4.932 -2.834 1.00 0.00 H new ATOM 0 HE2 TYR A 109 10.748 3.992 -4.018 1.00 0.00 H new ATOM 0 HH TYR A 109 9.313 5.426 -5.201 1.00 0.00 H new ATOM 1915 N SER A 110 11.734 4.600 1.945 1.00 0.00 N ATOM 1916 CA SER A 110 12.803 5.594 1.980 1.00 0.00 C ATOM 1917 C SER A 110 14.184 4.958 1.739 1.00 0.00 C ATOM 1918 O SER A 110 14.318 3.729 1.741 1.00 0.00 O ATOM 1919 CB SER A 110 12.728 6.352 3.326 1.00 0.00 C ATOM 1920 OG SER A 110 12.228 5.542 4.390 1.00 0.00 O ATOM 0 H SER A 110 12.035 3.681 2.268 1.00 0.00 H new ATOM 0 HA SER A 110 12.666 6.306 1.166 1.00 0.00 H new ATOM 0 HB2 SER A 110 13.721 6.716 3.589 1.00 0.00 H new ATOM 0 HB3 SER A 110 12.088 7.227 3.210 1.00 0.00 H new ATOM 0 HG SER A 110 12.963 5.024 4.780 1.00 0.00 H new ATOM 1926 N ASP A 111 15.173 5.787 1.378 1.00 0.00 N ATOM 1927 CA ASP A 111 16.563 5.369 1.135 1.00 0.00 C ATOM 1928 C ASP A 111 17.212 5.231 2.508 1.00 0.00 C ATOM 1929 O ASP A 111 17.794 4.201 2.824 1.00 0.00 O ATOM 1930 CB ASP A 111 17.327 6.396 0.283 1.00 0.00 C ATOM 1931 CG ASP A 111 18.820 6.076 0.128 1.00 0.00 C ATOM 1932 OD1 ASP A 111 19.184 5.277 -0.766 1.00 0.00 O ATOM 1933 OD2 ASP A 111 19.627 6.707 0.848 1.00 0.00 O ATOM 0 H ASP A 111 15.027 6.788 1.244 1.00 0.00 H new ATOM 0 HA ASP A 111 16.587 4.432 0.579 1.00 0.00 H new ATOM 0 HB2 ASP A 111 16.870 6.447 -0.705 1.00 0.00 H new ATOM 0 HB3 ASP A 111 17.220 7.382 0.735 1.00 0.00 H new ATOM 1938 N GLU A 112 17.096 6.273 3.334 1.00 0.00 N ATOM 1939 CA GLU A 112 17.628 6.281 4.685 1.00 0.00 C ATOM 1940 C GLU A 112 16.493 5.766 5.574 1.00 0.00 C ATOM 1941 O GLU A 112 15.321 5.863 5.204 1.00 0.00 O ATOM 1942 CB GLU A 112 18.050 7.716 5.033 1.00 0.00 C ATOM 1943 CG GLU A 112 18.583 7.896 6.460 1.00 0.00 C ATOM 1944 CD GLU A 112 19.241 9.269 6.606 1.00 0.00 C ATOM 1945 OE1 GLU A 112 18.557 10.265 6.944 1.00 0.00 O ATOM 1946 OE2 GLU A 112 20.455 9.377 6.304 1.00 0.00 O ATOM 0 H GLU A 112 16.625 7.140 3.075 1.00 0.00 H new ATOM 0 HA GLU A 112 18.510 5.654 4.815 1.00 0.00 H new ATOM 0 HB2 GLU A 112 18.818 8.036 4.329 1.00 0.00 H new ATOM 0 HB3 GLU A 112 17.194 8.377 4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 112 17.767 7.797 7.176 1.00 0.00 H new ATOM 0 HG3 GLU A 112 19.305 7.112 6.688 1.00 0.00 H new ATOM 1953 N SER A 113 16.801 5.188 6.735 1.00 0.00 N ATOM 1954 CA SER A 113 15.762 4.675 7.610 1.00 0.00 C ATOM 1955 C SER A 113 14.951 5.840 8.202 1.00 0.00 C ATOM 1956 O SER A 113 15.349 6.425 9.213 1.00 0.00 O ATOM 1957 CB SER A 113 16.381 3.745 8.669 1.00 0.00 C ATOM 1958 OG SER A 113 17.739 4.019 9.001 1.00 0.00 O ATOM 0 H SER A 113 17.752 5.067 7.083 1.00 0.00 H new ATOM 0 HA SER A 113 15.054 4.068 7.046 1.00 0.00 H new ATOM 0 HB2 SER A 113 15.782 3.807 9.578 1.00 0.00 H new ATOM 0 HB3 SER A 113 16.312 2.718 8.311 1.00 0.00 H new ATOM 0 HG SER A 113 18.045 3.382 9.680 1.00 0.00 H new ATOM 1964 N VAL A 114 13.780 6.140 7.633 1.00 0.00 N ATOM 1965 CA VAL A 114 12.887 7.214 8.060 1.00 0.00 C ATOM 1966 C VAL A 114 11.492 6.632 8.249 1.00 0.00 C ATOM 1967 O VAL A 114 10.924 6.097 7.300 1.00 0.00 O ATOM 1968 CB VAL A 114 12.904 8.382 7.056 1.00 0.00 C ATOM 1969 CG1 VAL A 114 11.988 9.526 7.514 1.00 0.00 C ATOM 1970 CG2 VAL A 114 14.318 8.956 6.917 1.00 0.00 C ATOM 0 H VAL A 114 13.417 5.621 6.833 1.00 0.00 H new ATOM 0 HA VAL A 114 13.226 7.629 9.009 1.00 0.00 H new ATOM 0 HB VAL A 114 12.555 7.982 6.104 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.023 10.334 6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 114 10.965 9.160 7.602 1.00 0.00 H new ATOM 0 HG13 VAL A 114 12.325 9.897 8.482 1.00 0.00 H new ATOM 0 HG21 VAL A 114 14.308 9.780 6.203 1.00 0.00 H new ATOM 0 HG22 VAL A 114 14.660 9.320 7.886 1.00 0.00 H new ATOM 0 HG23 VAL A 114 14.994 8.177 6.563 1.00 0.00 H new ATOM 1980 N TYR A 115 11.017 6.744 9.493 1.00 0.00 N ATOM 1981 CA TYR A 115 9.743 6.306 10.040 1.00 0.00 C ATOM 1982 C TYR A 115 8.535 6.615 9.160 1.00 0.00 C ATOM 1983 O TYR A 115 7.509 5.915 9.332 1.00 0.00 O ATOM 1984 CB TYR A 115 9.595 6.890 11.464 1.00 0.00 C ATOM 1985 CG TYR A 115 10.074 8.327 11.705 1.00 0.00 C ATOM 1986 CD1 TYR A 115 9.661 9.390 10.875 1.00 0.00 C ATOM 1987 CD2 TYR A 115 10.908 8.618 12.804 1.00 0.00 C ATOM 1988 CE1 TYR A 115 10.067 10.711 11.134 1.00 0.00 C ATOM 1989 CE2 TYR A 115 11.303 9.940 13.088 1.00 0.00 C ATOM 1990 CZ TYR A 115 10.879 10.997 12.252 1.00 0.00 C ATOM 1991 OH TYR A 115 11.222 12.289 12.515 1.00 0.00 O ATOM 0 H TYR A 115 11.582 7.193 10.214 1.00 0.00 H new ATOM 0 HA TYR A 115 9.757 5.217 10.079 1.00 0.00 H new ATOM 0 HB2 TYR A 115 8.541 6.839 11.738 1.00 0.00 H new ATOM 0 HB3 TYR A 115 10.135 6.238 12.150 1.00 0.00 H new ATOM 0 HD1 TYR A 115 9.023 9.186 10.028 1.00 0.00 H new ATOM 0 HD2 TYR A 115 11.250 7.814 13.439 1.00 0.00 H new ATOM 0 HE1 TYR A 115 9.757 11.509 10.476 1.00 0.00 H new ATOM 0 HE2 TYR A 115 11.929 10.145 13.944 1.00 0.00 H new ATOM 0 HH TYR A 115 11.782 12.322 13.318 1.00 0.00 H new TER 2001 TYR A 115 ATOM 2002 N GLY B 722 -18.814 5.437 -6.710 1.00 0.00 N ATOM 2003 CA GLY B 722 -20.192 5.947 -6.731 1.00 0.00 C ATOM 2004 C GLY B 722 -21.177 4.822 -6.981 1.00 0.00 C ATOM 2005 O GLY B 722 -21.635 4.190 -6.028 1.00 0.00 O ATOM 0 HA2 GLY B 722 -20.420 6.432 -5.782 1.00 0.00 H new ATOM 0 HA3 GLY B 722 -20.293 6.704 -7.508 1.00 0.00 H new ATOM 2009 N ALA B 723 -21.519 4.563 -8.246 1.00 0.00 N ATOM 2010 CA ALA B 723 -22.441 3.511 -8.642 1.00 0.00 C ATOM 2011 C ALA B 723 -21.772 2.708 -9.758 1.00 0.00 C ATOM 2012 O ALA B 723 -21.721 3.158 -10.907 1.00 0.00 O ATOM 2013 CB ALA B 723 -23.768 4.144 -9.086 1.00 0.00 C ATOM 0 H ALA B 723 -21.151 5.094 -9.036 1.00 0.00 H new ATOM 0 HA ALA B 723 -22.670 2.836 -7.817 1.00 0.00 H new ATOM 0 HB1 ALA B 723 -24.464 3.360 -9.384 1.00 0.00 H new ATOM 0 HB2 ALA B 723 -24.195 4.712 -8.259 1.00 0.00 H new ATOM 0 HB3 ALA B 723 -23.589 4.810 -9.930 1.00 0.00 H new ATOM 2019 N MET B 724 -21.230 1.541 -9.410 1.00 0.00 N ATOM 2020 CA MET B 724 -20.563 0.626 -10.325 1.00 0.00 C ATOM 2021 C MET B 724 -21.503 -0.548 -10.526 1.00 0.00 C ATOM 2022 O MET B 724 -21.600 -1.423 -9.662 1.00 0.00 O ATOM 2023 CB MET B 724 -19.219 0.138 -9.763 1.00 0.00 C ATOM 2024 CG MET B 724 -18.107 1.173 -9.923 1.00 0.00 C ATOM 2025 SD MET B 724 -17.610 1.469 -11.638 1.00 0.00 S ATOM 2026 CE MET B 724 -16.223 2.584 -11.310 1.00 0.00 C ATOM 0 H MET B 724 -21.246 1.199 -8.449 1.00 0.00 H new ATOM 0 HA MET B 724 -20.342 1.131 -11.265 1.00 0.00 H new ATOM 0 HB2 MET B 724 -19.337 -0.103 -8.707 1.00 0.00 H new ATOM 0 HB3 MET B 724 -18.930 -0.783 -10.270 1.00 0.00 H new ATOM 0 HG2 MET B 724 -18.437 2.115 -9.484 1.00 0.00 H new ATOM 0 HG3 MET B 724 -17.236 0.845 -9.356 1.00 0.00 H new ATOM 0 HE1 MET B 724 -15.770 2.889 -12.253 1.00 0.00 H new ATOM 0 HE2 MET B 724 -16.582 3.465 -10.779 1.00 0.00 H new ATOM 0 HE3 MET B 724 -15.480 2.071 -10.700 1.00 0.00 H new ATOM 2036 N GLY B 725 -22.206 -0.559 -11.657 1.00 0.00 N ATOM 2037 CA GLY B 725 -23.138 -1.623 -11.998 1.00 0.00 C ATOM 2038 C GLY B 725 -22.407 -2.902 -12.413 1.00 0.00 C ATOM 2039 O GLY B 725 -23.056 -3.933 -12.579 1.00 0.00 O ATOM 0 H GLY B 725 -22.142 0.174 -12.363 1.00 0.00 H new ATOM 0 HA2 GLY B 725 -23.781 -1.832 -11.143 1.00 0.00 H new ATOM 0 HA3 GLY B 725 -23.785 -1.294 -12.811 1.00 0.00 H new ATOM 2043 N SER B 726 -21.088 -2.841 -12.632 1.00 0.00 N ATOM 2044 CA SER B 726 -20.242 -3.962 -13.007 1.00 0.00 C ATOM 2045 C SER B 726 -19.886 -4.775 -11.759 1.00 0.00 C ATOM 2046 O SER B 726 -20.029 -4.308 -10.623 1.00 0.00 O ATOM 2047 CB SER B 726 -18.966 -3.414 -13.661 1.00 0.00 C ATOM 2048 OG SER B 726 -18.371 -2.405 -12.862 1.00 0.00 O ATOM 0 H SER B 726 -20.567 -1.968 -12.547 1.00 0.00 H new ATOM 0 HA SER B 726 -20.765 -4.611 -13.710 1.00 0.00 H new ATOM 0 HB2 SER B 726 -18.255 -4.226 -13.814 1.00 0.00 H new ATOM 0 HB3 SER B 726 -19.204 -3.009 -14.645 1.00 0.00 H new ATOM 0 HG SER B 726 -17.560 -2.075 -13.302 1.00 0.00 H new ATOM 2054 N ALA B 727 -19.344 -5.978 -11.949 1.00 0.00 N ATOM 2055 CA ALA B 727 -18.949 -6.837 -10.839 1.00 0.00 C ATOM 2056 C ALA B 727 -17.647 -6.371 -10.152 1.00 0.00 C ATOM 2057 O ALA B 727 -17.372 -6.819 -9.037 1.00 0.00 O ATOM 2058 CB ALA B 727 -18.784 -8.263 -11.371 1.00 0.00 C ATOM 0 H ALA B 727 -19.169 -6.380 -12.870 1.00 0.00 H new ATOM 0 HA ALA B 727 -19.728 -6.791 -10.078 1.00 0.00 H new ATOM 0 HB1 ALA B 727 -18.488 -8.923 -10.556 1.00 0.00 H new ATOM 0 HB2 ALA B 727 -19.729 -8.606 -11.791 1.00 0.00 H new ATOM 0 HB3 ALA B 727 -18.017 -8.276 -12.145 1.00 0.00 H new ATOM 2064 N SER B 728 -16.872 -5.472 -10.768 1.00 0.00 N ATOM 2065 CA SER B 728 -15.596 -4.940 -10.285 1.00 0.00 C ATOM 2066 C SER B 728 -15.636 -4.114 -8.986 1.00 0.00 C ATOM 2067 O SER B 728 -16.699 -3.787 -8.452 1.00 0.00 O ATOM 2068 CB SER B 728 -14.978 -4.116 -11.422 1.00 0.00 C ATOM 2069 OG SER B 728 -14.900 -4.875 -12.617 1.00 0.00 O ATOM 0 H SER B 728 -17.135 -5.074 -11.669 1.00 0.00 H new ATOM 0 HA SER B 728 -14.994 -5.805 -10.008 1.00 0.00 H new ATOM 0 HB2 SER B 728 -15.576 -3.221 -11.594 1.00 0.00 H new ATOM 0 HB3 SER B 728 -13.981 -3.782 -11.134 1.00 0.00 H new ATOM 0 HG SER B 728 -14.504 -4.328 -13.327 1.00 0.00 H new ATOM 2075 N SER B 729 -14.444 -3.748 -8.506 1.00 0.00 N ATOM 2076 CA SER B 729 -14.155 -2.976 -7.300 1.00 0.00 C ATOM 2077 C SER B 729 -13.377 -1.688 -7.639 1.00 0.00 C ATOM 2078 O SER B 729 -13.019 -1.465 -8.803 1.00 0.00 O ATOM 2079 CB SER B 729 -13.432 -3.902 -6.303 1.00 0.00 C ATOM 2080 OG SER B 729 -12.438 -4.713 -6.918 1.00 0.00 O ATOM 0 H SER B 729 -13.587 -4.007 -8.994 1.00 0.00 H new ATOM 0 HA SER B 729 -15.074 -2.627 -6.828 1.00 0.00 H new ATOM 0 HB2 SER B 729 -12.968 -3.297 -5.524 1.00 0.00 H new ATOM 0 HB3 SER B 729 -14.165 -4.544 -5.814 1.00 0.00 H new ATOM 0 HG SER B 729 -12.011 -5.278 -6.240 1.00 0.00 H new ATOM 2086 N GLU B 730 -13.121 -0.843 -6.633 1.00 0.00 N ATOM 2087 CA GLU B 730 -12.409 0.432 -6.740 1.00 0.00 C ATOM 2088 C GLU B 730 -11.049 0.232 -7.428 1.00 0.00 C ATOM 2089 O GLU B 730 -10.454 -0.849 -7.352 1.00 0.00 O ATOM 2090 CB GLU B 730 -12.291 1.075 -5.341 1.00 0.00 C ATOM 2091 CG GLU B 730 -12.636 2.572 -5.298 1.00 0.00 C ATOM 2092 CD GLU B 730 -11.661 3.499 -6.032 1.00 0.00 C ATOM 2093 OE1 GLU B 730 -11.769 3.619 -7.277 1.00 0.00 O ATOM 2094 OE2 GLU B 730 -10.850 4.170 -5.351 1.00 0.00 O ATOM 0 H GLU B 730 -13.420 -1.041 -5.678 1.00 0.00 H new ATOM 0 HA GLU B 730 -12.971 1.123 -7.368 1.00 0.00 H new ATOM 0 HB2 GLU B 730 -12.949 0.543 -4.654 1.00 0.00 H new ATOM 0 HB3 GLU B 730 -11.273 0.939 -4.977 1.00 0.00 H new ATOM 0 HG2 GLU B 730 -13.630 2.710 -5.724 1.00 0.00 H new ATOM 0 HG3 GLU B 730 -12.690 2.884 -4.255 1.00 0.00 H new ATOM 2101 N ASP B 731 -10.548 1.263 -8.100 1.00 0.00 N ATOM 2102 CA ASP B 731 -9.298 1.264 -8.845 1.00 0.00 C ATOM 2103 C ASP B 731 -8.112 1.105 -7.901 1.00 0.00 C ATOM 2104 O ASP B 731 -7.688 2.048 -7.229 1.00 0.00 O ATOM 2105 CB ASP B 731 -9.200 2.566 -9.658 1.00 0.00 C ATOM 2106 CG ASP B 731 -10.237 2.622 -10.777 1.00 0.00 C ATOM 2107 OD1 ASP B 731 -11.458 2.638 -10.491 1.00 0.00 O ATOM 2108 OD2 ASP B 731 -9.845 2.647 -11.964 1.00 0.00 O ATOM 0 H ASP B 731 -11.027 2.163 -8.141 1.00 0.00 H new ATOM 0 HA ASP B 731 -9.278 0.418 -9.532 1.00 0.00 H new ATOM 0 HB2 ASP B 731 -9.337 3.419 -8.994 1.00 0.00 H new ATOM 0 HB3 ASP B 731 -8.201 2.652 -10.085 1.00 0.00 H new ATOM 2113 N TYR B 732 -7.538 -0.094 -7.913 1.00 0.00 N ATOM 2114 CA TYR B 732 -6.405 -0.533 -7.116 1.00 0.00 C ATOM 2115 C TYR B 732 -5.690 -1.594 -7.946 1.00 0.00 C ATOM 2116 O TYR B 732 -6.359 -2.420 -8.575 1.00 0.00 O ATOM 2117 CB TYR B 732 -6.905 -1.181 -5.814 1.00 0.00 C ATOM 2118 CG TYR B 732 -7.173 -0.262 -4.638 1.00 0.00 C ATOM 2119 CD1 TYR B 732 -8.345 0.512 -4.556 1.00 0.00 C ATOM 2120 CD2 TYR B 732 -6.238 -0.202 -3.591 1.00 0.00 C ATOM 2121 CE1 TYR B 732 -8.593 1.308 -3.423 1.00 0.00 C ATOM 2122 CE2 TYR B 732 -6.439 0.637 -2.487 1.00 0.00 C ATOM 2123 CZ TYR B 732 -7.640 1.373 -2.382 1.00 0.00 C ATOM 2124 OH TYR B 732 -7.896 2.112 -1.268 1.00 0.00 O ATOM 0 H TYR B 732 -7.879 -0.835 -8.525 1.00 0.00 H new ATOM 0 HA TYR B 732 -5.753 0.303 -6.864 1.00 0.00 H new ATOM 0 HB2 TYR B 732 -7.826 -1.720 -6.037 1.00 0.00 H new ATOM 0 HB3 TYR B 732 -6.169 -1.922 -5.502 1.00 0.00 H new ATOM 0 HD1 TYR B 732 -9.058 0.495 -5.367 1.00 0.00 H new ATOM 0 HD2 TYR B 732 -5.349 -0.813 -3.638 1.00 0.00 H new ATOM 0 HE1 TYR B 732 -9.512 1.870 -3.349 1.00 0.00 H new ATOM 0 HE2 TYR B 732 -5.681 0.720 -1.722 1.00 0.00 H new ATOM 0 HH TYR B 732 -7.727 1.569 -0.470 1.00 0.00 H new ATOM 2134 N ILE B 733 -4.357 -1.609 -7.917 1.00 0.00 N ATOM 2135 CA ILE B 733 -3.556 -2.563 -8.673 1.00 0.00 C ATOM 2136 C ILE B 733 -3.353 -3.849 -7.866 1.00 0.00 C ATOM 2137 O ILE B 733 -2.626 -3.843 -6.869 1.00 0.00 O ATOM 2138 CB ILE B 733 -2.204 -1.929 -9.072 1.00 0.00 C ATOM 2139 CG1 ILE B 733 -2.307 -0.525 -9.710 1.00 0.00 C ATOM 2140 CG2 ILE B 733 -1.441 -2.871 -10.016 1.00 0.00 C ATOM 2141 CD1 ILE B 733 -3.340 -0.357 -10.824 1.00 0.00 C ATOM 0 H ILE B 733 -3.803 -0.955 -7.364 1.00 0.00 H new ATOM 0 HA ILE B 733 -4.088 -2.825 -9.588 1.00 0.00 H new ATOM 0 HB ILE B 733 -1.663 -1.789 -8.136 1.00 0.00 H new ATOM 0 HG12 ILE B 733 -2.536 0.192 -8.922 1.00 0.00 H new ATOM 0 HG13 ILE B 733 -1.328 -0.259 -10.109 1.00 0.00 H new ATOM 0 HG21 ILE B 733 -0.489 -2.417 -10.292 1.00 0.00 H new ATOM 0 HG22 ILE B 733 -1.257 -3.820 -9.513 1.00 0.00 H new ATOM 0 HG23 ILE B 733 -2.034 -3.045 -10.914 1.00 0.00 H new ATOM 0 HD11 ILE B 733 -3.317 0.669 -11.190 1.00 0.00 H new ATOM 0 HD12 ILE B 733 -3.108 -1.039 -11.642 1.00 0.00 H new ATOM 0 HD13 ILE B 733 -4.334 -0.581 -10.436 1.00 0.00 H new ATOM 2153 N ILE B 734 -4.008 -4.942 -8.253 1.00 0.00 N ATOM 2154 CA ILE B 734 -3.883 -6.241 -7.603 1.00 0.00 C ATOM 2155 C ILE B 734 -2.540 -6.783 -8.101 1.00 0.00 C ATOM 2156 O ILE B 734 -2.323 -6.886 -9.310 1.00 0.00 O ATOM 2157 CB ILE B 734 -5.083 -7.153 -7.962 1.00 0.00 C ATOM 2158 CG1 ILE B 734 -6.411 -6.546 -7.443 1.00 0.00 C ATOM 2159 CG2 ILE B 734 -4.897 -8.560 -7.361 1.00 0.00 C ATOM 2160 CD1 ILE B 734 -7.670 -7.175 -8.049 1.00 0.00 C ATOM 0 H ILE B 734 -4.653 -4.947 -9.043 1.00 0.00 H new ATOM 0 HA ILE B 734 -3.901 -6.185 -6.515 1.00 0.00 H new ATOM 0 HB ILE B 734 -5.126 -7.230 -9.048 1.00 0.00 H new ATOM 0 HG12 ILE B 734 -6.449 -6.657 -6.359 1.00 0.00 H new ATOM 0 HG13 ILE B 734 -6.415 -5.477 -7.654 1.00 0.00 H new ATOM 0 HG21 ILE B 734 -5.751 -9.184 -7.625 1.00 0.00 H new ATOM 0 HG22 ILE B 734 -3.985 -9.007 -7.756 1.00 0.00 H new ATOM 0 HG23 ILE B 734 -4.824 -8.485 -6.276 1.00 0.00 H new ATOM 0 HD11 ILE B 734 -8.554 -6.693 -7.632 1.00 0.00 H new ATOM 0 HD12 ILE B 734 -7.659 -7.041 -9.131 1.00 0.00 H new ATOM 0 HD13 ILE B 734 -7.693 -8.239 -7.816 1.00 0.00 H new ATOM 2172 N ILE B 735 -1.630 -7.116 -7.191 1.00 0.00 N ATOM 2173 CA ILE B 735 -0.302 -7.627 -7.509 1.00 0.00 C ATOM 2174 C ILE B 735 0.015 -8.716 -6.486 1.00 0.00 C ATOM 2175 O ILE B 735 -0.115 -8.483 -5.284 1.00 0.00 O ATOM 2176 CB ILE B 735 0.689 -6.437 -7.540 1.00 0.00 C ATOM 2177 CG1 ILE B 735 2.142 -6.872 -7.811 1.00 0.00 C ATOM 2178 CG2 ILE B 735 0.640 -5.576 -6.264 1.00 0.00 C ATOM 2179 CD1 ILE B 735 2.389 -7.261 -9.269 1.00 0.00 C ATOM 0 H ILE B 735 -1.800 -7.036 -6.188 1.00 0.00 H new ATOM 0 HA ILE B 735 -0.230 -8.088 -8.494 1.00 0.00 H new ATOM 0 HB ILE B 735 0.351 -5.826 -8.377 1.00 0.00 H new ATOM 0 HG12 ILE B 735 2.815 -6.059 -7.539 1.00 0.00 H new ATOM 0 HG13 ILE B 735 2.388 -7.718 -7.169 1.00 0.00 H new ATOM 0 HG21 ILE B 735 1.357 -4.759 -6.348 1.00 0.00 H new ATOM 0 HG22 ILE B 735 -0.363 -5.167 -6.139 1.00 0.00 H new ATOM 0 HG23 ILE B 735 0.891 -6.191 -5.400 1.00 0.00 H new ATOM 0 HD11 ILE B 735 3.430 -7.558 -9.395 1.00 0.00 H new ATOM 0 HD12 ILE B 735 1.739 -8.094 -9.538 1.00 0.00 H new ATOM 0 HD13 ILE B 735 2.174 -6.409 -9.914 1.00 0.00 H new ATOM 2191 N LEU B 736 0.405 -9.908 -6.937 1.00 0.00 N ATOM 2192 CA LEU B 736 0.714 -11.039 -6.065 1.00 0.00 C ATOM 2193 C LEU B 736 1.613 -12.052 -6.792 1.00 0.00 C ATOM 2194 O LEU B 736 1.621 -12.050 -8.030 1.00 0.00 O ATOM 2195 CB LEU B 736 -0.604 -11.626 -5.508 1.00 0.00 C ATOM 2196 CG LEU B 736 -1.770 -11.869 -6.490 1.00 0.00 C ATOM 2197 CD1 LEU B 736 -1.597 -13.192 -7.233 1.00 0.00 C ATOM 2198 CD2 LEU B 736 -3.103 -11.819 -5.727 1.00 0.00 C ATOM 0 H LEU B 736 0.516 -10.117 -7.929 1.00 0.00 H new ATOM 0 HA LEU B 736 1.297 -10.717 -5.202 1.00 0.00 H new ATOM 0 HB2 LEU B 736 -0.368 -12.577 -5.030 1.00 0.00 H new ATOM 0 HB3 LEU B 736 -0.962 -10.956 -4.726 1.00 0.00 H new ATOM 0 HG LEU B 736 -1.771 -11.081 -7.243 1.00 0.00 H new ATOM 0 HD11 LEU B 736 -2.433 -13.337 -7.918 1.00 0.00 H new ATOM 0 HD12 LEU B 736 -0.665 -13.173 -7.797 1.00 0.00 H new ATOM 0 HD13 LEU B 736 -1.570 -14.012 -6.515 1.00 0.00 H new ATOM 0 HD21 LEU B 736 -3.926 -11.991 -6.421 1.00 0.00 H new ATOM 0 HD22 LEU B 736 -3.111 -12.590 -4.957 1.00 0.00 H new ATOM 0 HD23 LEU B 736 -3.219 -10.840 -5.261 1.00 0.00 H new ATOM 2210 N PRO B 737 2.391 -12.876 -6.060 1.00 0.00 N ATOM 2211 CA PRO B 737 3.298 -13.871 -6.633 1.00 0.00 C ATOM 2212 C PRO B 737 2.595 -14.950 -7.466 1.00 0.00 C ATOM 2213 O PRO B 737 1.365 -15.026 -7.533 1.00 0.00 O ATOM 2214 CB PRO B 737 4.056 -14.479 -5.440 1.00 0.00 C ATOM 2215 CG PRO B 737 3.108 -14.274 -4.266 1.00 0.00 C ATOM 2216 CD PRO B 737 2.456 -12.938 -4.605 1.00 0.00 C ATOM 0 HA PRO B 737 3.968 -13.392 -7.347 1.00 0.00 H new ATOM 0 HB2 PRO B 737 4.273 -15.535 -5.600 1.00 0.00 H new ATOM 0 HB3 PRO B 737 5.011 -13.979 -5.276 1.00 0.00 H new ATOM 0 HG2 PRO B 737 2.375 -15.077 -4.190 1.00 0.00 H new ATOM 0 HG3 PRO B 737 3.640 -14.237 -3.315 1.00 0.00 H new ATOM 0 HD2 PRO B 737 1.460 -12.868 -4.167 1.00 0.00 H new ATOM 0 HD3 PRO B 737 3.038 -12.108 -4.205 1.00 0.00 H new ATOM 2224 N GLU B 738 3.406 -15.807 -8.089 1.00 0.00 N ATOM 2225 CA GLU B 738 2.961 -16.911 -8.925 1.00 0.00 C ATOM 2226 C GLU B 738 3.382 -18.271 -8.346 1.00 0.00 C ATOM 2227 O GLU B 738 2.859 -19.296 -8.795 1.00 0.00 O ATOM 2228 CB GLU B 738 3.505 -16.733 -10.356 1.00 0.00 C ATOM 2229 CG GLU B 738 3.126 -15.401 -11.036 1.00 0.00 C ATOM 2230 CD GLU B 738 4.219 -14.324 -10.985 1.00 0.00 C ATOM 2231 OE1 GLU B 738 4.548 -13.809 -9.897 1.00 0.00 O ATOM 2232 OE2 GLU B 738 4.710 -13.909 -12.064 1.00 0.00 O ATOM 0 H GLU B 738 4.422 -15.745 -8.020 1.00 0.00 H new ATOM 0 HA GLU B 738 1.871 -16.899 -8.952 1.00 0.00 H new ATOM 0 HB2 GLU B 738 4.592 -16.813 -10.328 1.00 0.00 H new ATOM 0 HB3 GLU B 738 3.140 -17.555 -10.972 1.00 0.00 H new ATOM 0 HG2 GLU B 738 2.877 -15.598 -12.079 1.00 0.00 H new ATOM 0 HG3 GLU B 738 2.226 -15.009 -10.562 1.00 0.00 H new ATOM 2239 N SER B 739 4.340 -18.319 -7.411 1.00 0.00 N ATOM 2240 CA SER B 739 4.867 -19.514 -6.748 1.00 0.00 C ATOM 2241 C SER B 739 5.584 -19.073 -5.474 1.00 0.00 C ATOM 2242 O SER B 739 5.618 -19.848 -4.493 1.00 0.00 O ATOM 2243 CB SER B 739 5.868 -20.233 -7.665 1.00 0.00 C ATOM 2244 OG SER B 739 5.320 -20.447 -8.955 1.00 0.00 O ATOM 0 H SER B 739 4.795 -17.469 -7.078 1.00 0.00 H new ATOM 0 HA SER B 739 4.050 -20.197 -6.517 1.00 0.00 H new ATOM 0 HB2 SER B 739 6.779 -19.641 -7.748 1.00 0.00 H new ATOM 0 HB3 SER B 739 6.148 -21.189 -7.223 1.00 0.00 H new ATOM 0 HG SER B 739 5.979 -20.905 -9.518 1.00 0.00 H new TER 2250 SER B 739