USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 803 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 98 HIS : no HD1:sc= 0.571 K(o=-2.2,f=-6.7) USER MOD Set 1.2: A 99 SER OG : rot -130:sc= -2.77! USER MOD Set 2.1: A 60 ASN : amide:sc= -0.274 K(o=0.41,f=-6.5!) USER MOD Set 2.2: A 61 SER OG : rot 105:sc= 0.683 USER MOD Set 3.1: A 42 THR OG1 : rot 180:sc= 0.225 USER MOD Set 3.2: A 43 HIS : no HD1:sc= -3.49! C(o=-3.3!,f=-2.8!) USER MOD Set 4.1: A 2 SER OG : rot 140:sc= 0 USER MOD Set 4.2: A 7 LYS NZ :NH3+ -142:sc= -0.117 (180deg=-0.957) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -110:sc=-0.00448 (180deg=-0.0979) USER MOD Single : A 4 GLN : amide:sc= -0.342 K(o=-0.34,f=-1) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0266 USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -58:sc= 0.306 USER MOD Single : A 32 SER OG : rot 170:sc= -2.65! USER MOD Single : A 35 HIS : no HE2:sc= -14.7! C(o=-15!,f=-23!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -113:sc= -2.22 (180deg=-4.87!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0126) USER MOD Single : A 50 SER OG : rot 100:sc= 0.0469 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.291 USER MOD Single : A 52 CYS SG : rot 46:sc= -5.02! USER MOD Single : A 53 GLN : amide:sc= -0.0192 K(o=-0.019,f=-0.59) USER MOD Single : A 55 GLN : amide:sc= -1.35! C(o=-1.3!,f=-4!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 ASN : amide:sc= -2.43! C(o=-2.4!,f=-2.1!) USER MOD Single : A 75 HIS : no HD1:sc= -11.2! C(o=-11!,f=-12!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -2.37! USER MOD Single : A 78 LYS NZ :NH3+ -123:sc= 0.0968 (180deg=-0.681) USER MOD Single : A 82 MET CE :methyl -110:sc= -1.3 (180deg=-3.8!) USER MOD Single : A 91 TYR OH : rot 180:sc= -0.844 USER MOD Single : A 92 GLN : amide:sc= -5.79! C(o=-5.8!,f=-10!) USER MOD Single : A 94 GLN : amide:sc= -0.215 X(o=-0.21,f=-0.47) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 42.027 0.957 10.121 1.00 0.00 N ATOM 2 CA GLY A -1 43.202 0.716 9.239 1.00 0.00 C ATOM 3 C GLY A -1 43.667 -0.734 9.381 1.00 0.00 C ATOM 4 O GLY A -1 44.831 -1.002 9.607 1.00 0.00 O ATOM 0 H1 GLY A -1 41.715 1.944 10.021 1.00 0.00 H new ATOM 0 H2 GLY A -1 41.252 0.319 9.849 1.00 0.00 H new ATOM 0 H3 GLY A -1 42.293 0.777 11.110 1.00 0.00 H new ATOM 0 HA2 GLY A -1 42.938 0.923 8.202 1.00 0.00 H new ATOM 0 HA3 GLY A -1 44.012 1.395 9.504 1.00 0.00 H new ATOM 10 N SER A 0 42.774 -1.673 9.236 1.00 0.00 N ATOM 11 CA SER A 0 43.180 -3.101 9.345 1.00 0.00 C ATOM 12 C SER A 0 44.224 -3.407 8.271 1.00 0.00 C ATOM 13 O SER A 0 45.012 -4.324 8.391 1.00 0.00 O ATOM 14 CB SER A 0 41.900 -3.905 9.108 1.00 0.00 C ATOM 15 OG SER A 0 41.418 -3.649 7.795 1.00 0.00 O ATOM 0 H SER A 0 41.784 -1.514 9.047 1.00 0.00 H new ATOM 0 HA SER A 0 43.623 -3.344 10.311 1.00 0.00 H new ATOM 0 HB2 SER A 0 42.098 -4.970 9.234 1.00 0.00 H new ATOM 0 HB3 SER A 0 41.144 -3.632 9.844 1.00 0.00 H new ATOM 0 HG SER A 0 40.599 -4.165 7.641 1.00 0.00 H new ATOM 21 N MET A 1 44.227 -2.639 7.216 1.00 0.00 N ATOM 22 CA MET A 1 45.209 -2.865 6.121 1.00 0.00 C ATOM 23 C MET A 1 46.646 -2.733 6.642 1.00 0.00 C ATOM 24 O MET A 1 47.520 -3.496 6.278 1.00 0.00 O ATOM 25 CB MET A 1 44.907 -1.760 5.108 1.00 0.00 C ATOM 26 CG MET A 1 43.494 -1.946 4.547 1.00 0.00 C ATOM 27 SD MET A 1 43.183 -0.718 3.253 1.00 0.00 S ATOM 28 CE MET A 1 42.791 0.678 4.336 1.00 0.00 C ATOM 0 H MET A 1 43.586 -1.860 7.066 1.00 0.00 H new ATOM 0 HA MET A 1 45.127 -3.864 5.692 1.00 0.00 H new ATOM 0 HB2 MET A 1 44.994 -0.783 5.584 1.00 0.00 H new ATOM 0 HB3 MET A 1 45.636 -1.786 4.298 1.00 0.00 H new ATOM 0 HG2 MET A 1 43.383 -2.952 4.141 1.00 0.00 H new ATOM 0 HG3 MET A 1 42.759 -1.841 5.345 1.00 0.00 H new ATOM 0 HE1 MET A 1 41.729 0.912 4.258 1.00 0.00 H new ATOM 0 HE2 MET A 1 43.031 0.417 5.367 1.00 0.00 H new ATOM 0 HE3 MET A 1 43.377 1.547 4.036 1.00 0.00 H new ATOM 38 N SER A 2 46.903 -1.768 7.483 1.00 0.00 N ATOM 39 CA SER A 2 48.289 -1.589 8.005 1.00 0.00 C ATOM 40 C SER A 2 48.389 -2.029 9.471 1.00 0.00 C ATOM 41 O SER A 2 47.842 -1.406 10.359 1.00 0.00 O ATOM 42 CB SER A 2 48.556 -0.088 7.879 1.00 0.00 C ATOM 43 OG SER A 2 48.679 0.257 6.502 1.00 0.00 O ATOM 0 H SER A 2 46.217 -1.098 7.830 1.00 0.00 H new ATOM 0 HA SER A 2 49.012 -2.192 7.456 1.00 0.00 H new ATOM 0 HB2 SER A 2 47.743 0.477 8.336 1.00 0.00 H new ATOM 0 HB3 SER A 2 49.468 0.177 8.414 1.00 0.00 H new ATOM 0 HG SER A 2 48.231 1.113 6.338 1.00 0.00 H new ATOM 49 N ASP A 3 49.103 -3.093 9.727 1.00 0.00 N ATOM 50 CA ASP A 3 49.265 -3.573 11.130 1.00 0.00 C ATOM 51 C ASP A 3 50.751 -3.605 11.511 1.00 0.00 C ATOM 52 O ASP A 3 51.126 -4.159 12.524 1.00 0.00 O ATOM 53 CB ASP A 3 48.691 -4.989 11.130 1.00 0.00 C ATOM 54 CG ASP A 3 49.508 -5.857 10.175 1.00 0.00 C ATOM 55 OD1 ASP A 3 50.176 -5.295 9.322 1.00 0.00 O ATOM 56 OD2 ASP A 3 49.457 -7.068 10.312 1.00 0.00 O ATOM 0 H ASP A 3 49.583 -3.652 9.022 1.00 0.00 H new ATOM 0 HA ASP A 3 48.763 -2.924 11.848 1.00 0.00 H new ATOM 0 HB2 ASP A 3 48.720 -5.407 12.136 1.00 0.00 H new ATOM 0 HB3 ASP A 3 47.646 -4.971 10.822 1.00 0.00 H new ATOM 61 N GLN A 4 51.601 -3.027 10.704 1.00 0.00 N ATOM 62 CA GLN A 4 53.058 -3.046 11.026 1.00 0.00 C ATOM 63 C GLN A 4 53.669 -1.655 10.827 1.00 0.00 C ATOM 64 O GLN A 4 53.098 -0.802 10.177 1.00 0.00 O ATOM 65 CB GLN A 4 53.667 -4.054 10.047 1.00 0.00 C ATOM 66 CG GLN A 4 53.526 -3.532 8.618 1.00 0.00 C ATOM 67 CD GLN A 4 54.227 -4.492 7.658 1.00 0.00 C ATOM 68 OE1 GLN A 4 55.431 -4.647 7.707 1.00 0.00 O ATOM 69 NE2 GLN A 4 53.520 -5.155 6.785 1.00 0.00 N ATOM 0 H GLN A 4 51.351 -2.545 9.840 1.00 0.00 H new ATOM 0 HA GLN A 4 53.248 -3.322 12.063 1.00 0.00 H new ATOM 0 HB2 GLN A 4 54.719 -4.216 10.283 1.00 0.00 H new ATOM 0 HB3 GLN A 4 53.167 -5.018 10.144 1.00 0.00 H new ATOM 0 HG2 GLN A 4 52.472 -3.441 8.354 1.00 0.00 H new ATOM 0 HG3 GLN A 4 53.962 -2.536 8.538 1.00 0.00 H new ATOM 0 HE21 GLN A 4 52.509 -5.025 6.743 1.00 0.00 H new ATOM 0 HE22 GLN A 4 53.978 -5.803 6.144 1.00 0.00 H new ATOM 78 N GLU A 5 54.820 -1.418 11.394 1.00 0.00 N ATOM 79 CA GLU A 5 55.466 -0.082 11.246 1.00 0.00 C ATOM 80 C GLU A 5 55.735 0.216 9.768 1.00 0.00 C ATOM 81 O GLU A 5 55.736 1.354 9.343 1.00 0.00 O ATOM 82 CB GLU A 5 56.782 -0.201 12.016 1.00 0.00 C ATOM 83 CG GLU A 5 56.501 -0.493 13.495 1.00 0.00 C ATOM 84 CD GLU A 5 55.921 0.747 14.184 1.00 0.00 C ATOM 85 OE1 GLU A 5 55.016 1.347 13.628 1.00 0.00 O ATOM 86 OE2 GLU A 5 56.394 1.075 15.260 1.00 0.00 O ATOM 0 H GLU A 5 55.342 -2.092 11.954 1.00 0.00 H new ATOM 0 HA GLU A 5 54.840 0.727 11.622 1.00 0.00 H new ATOM 0 HB2 GLU A 5 57.392 -0.997 11.589 1.00 0.00 H new ATOM 0 HB3 GLU A 5 57.353 0.723 11.921 1.00 0.00 H new ATOM 0 HG2 GLU A 5 55.802 -1.325 13.582 1.00 0.00 H new ATOM 0 HG3 GLU A 5 57.422 -0.797 13.994 1.00 0.00 H new ATOM 93 N ALA A 6 55.969 -0.801 8.981 1.00 0.00 N ATOM 94 CA ALA A 6 56.245 -0.574 7.533 1.00 0.00 C ATOM 95 C ALA A 6 54.945 -0.673 6.726 1.00 0.00 C ATOM 96 O ALA A 6 54.425 -1.747 6.499 1.00 0.00 O ATOM 97 CB ALA A 6 57.216 -1.691 7.135 1.00 0.00 C ATOM 0 H ALA A 6 55.981 -1.777 9.278 1.00 0.00 H new ATOM 0 HA ALA A 6 56.662 0.414 7.340 1.00 0.00 H new ATOM 0 HB1 ALA A 6 57.469 -1.594 6.079 1.00 0.00 H new ATOM 0 HB2 ALA A 6 58.123 -1.615 7.734 1.00 0.00 H new ATOM 0 HB3 ALA A 6 56.747 -2.660 7.308 1.00 0.00 H new ATOM 103 N LYS A 7 54.417 0.436 6.288 1.00 0.00 N ATOM 104 CA LYS A 7 53.155 0.390 5.497 1.00 0.00 C ATOM 105 C LYS A 7 53.435 -0.118 4.078 1.00 0.00 C ATOM 106 O LYS A 7 54.519 0.070 3.559 1.00 0.00 O ATOM 107 CB LYS A 7 52.655 1.834 5.456 1.00 0.00 C ATOM 108 CG LYS A 7 52.297 2.297 6.867 1.00 0.00 C ATOM 109 CD LYS A 7 51.934 3.779 6.822 1.00 0.00 C ATOM 110 CE LYS A 7 50.722 4.039 7.716 1.00 0.00 C ATOM 111 NZ LYS A 7 49.586 3.356 7.034 1.00 0.00 N ATOM 0 H LYS A 7 54.802 1.368 6.442 1.00 0.00 H new ATOM 0 HA LYS A 7 52.420 -0.284 5.938 1.00 0.00 H new ATOM 0 HB2 LYS A 7 53.423 2.483 5.034 1.00 0.00 H new ATOM 0 HB3 LYS A 7 51.783 1.908 4.807 1.00 0.00 H new ATOM 0 HG2 LYS A 7 51.460 1.715 7.254 1.00 0.00 H new ATOM 0 HG3 LYS A 7 53.137 2.135 7.542 1.00 0.00 H new ATOM 0 HD2 LYS A 7 52.780 4.381 7.155 1.00 0.00 H new ATOM 0 HD3 LYS A 7 51.713 4.078 5.797 1.00 0.00 H new ATOM 0 HE2 LYS A 7 50.878 3.640 8.718 1.00 0.00 H new ATOM 0 HE3 LYS A 7 50.533 5.107 7.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 48.726 3.933 7.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 49.810 3.233 6.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 49.428 2.425 7.470 1.00 0.00 H new ATOM 125 N PRO A 8 52.446 -0.745 3.489 1.00 0.00 N ATOM 126 CA PRO A 8 52.591 -1.270 2.111 1.00 0.00 C ATOM 127 C PRO A 8 52.908 -0.134 1.130 1.00 0.00 C ATOM 128 O PRO A 8 53.465 -0.353 0.071 1.00 0.00 O ATOM 129 CB PRO A 8 51.213 -1.879 1.836 1.00 0.00 C ATOM 130 CG PRO A 8 50.330 -1.694 3.088 1.00 0.00 C ATOM 131 CD PRO A 8 51.142 -0.955 4.160 1.00 0.00 C ATOM 0 HA PRO A 8 53.404 -1.987 1.997 1.00 0.00 H new ATOM 0 HB2 PRO A 8 50.752 -1.396 0.974 1.00 0.00 H new ATOM 0 HB3 PRO A 8 51.309 -2.938 1.595 1.00 0.00 H new ATOM 0 HG2 PRO A 8 49.433 -1.128 2.837 1.00 0.00 H new ATOM 0 HG3 PRO A 8 50.001 -2.663 3.464 1.00 0.00 H new ATOM 0 HD2 PRO A 8 50.675 -0.012 4.444 1.00 0.00 H new ATOM 0 HD3 PRO A 8 51.245 -1.546 5.070 1.00 0.00 H new ATOM 139 N SER A 9 52.566 1.080 1.475 1.00 0.00 N ATOM 140 CA SER A 9 52.861 2.224 0.561 1.00 0.00 C ATOM 141 C SER A 9 54.371 2.374 0.405 1.00 0.00 C ATOM 142 O SER A 9 54.866 2.804 -0.618 1.00 0.00 O ATOM 143 CB SER A 9 52.274 3.452 1.257 1.00 0.00 C ATOM 144 OG SER A 9 52.999 3.711 2.454 1.00 0.00 O ATOM 0 H SER A 9 52.097 1.329 2.346 1.00 0.00 H new ATOM 0 HA SER A 9 52.440 2.084 -0.434 1.00 0.00 H new ATOM 0 HB2 SER A 9 52.323 4.317 0.595 1.00 0.00 H new ATOM 0 HB3 SER A 9 51.221 3.285 1.486 1.00 0.00 H new ATOM 0 HG SER A 9 52.624 4.499 2.900 1.00 0.00 H new ATOM 150 N THR A 10 55.106 2.024 1.420 1.00 0.00 N ATOM 151 CA THR A 10 56.584 2.145 1.345 1.00 0.00 C ATOM 152 C THR A 10 57.148 1.211 0.266 1.00 0.00 C ATOM 153 O THR A 10 58.141 1.508 -0.367 1.00 0.00 O ATOM 154 CB THR A 10 57.089 1.746 2.735 1.00 0.00 C ATOM 155 OG1 THR A 10 56.540 2.623 3.709 1.00 0.00 O ATOM 156 CG2 THR A 10 58.614 1.828 2.777 1.00 0.00 C ATOM 0 H THR A 10 54.745 1.658 2.301 1.00 0.00 H new ATOM 0 HA THR A 10 56.900 3.153 1.075 1.00 0.00 H new ATOM 0 HB THR A 10 56.779 0.723 2.949 1.00 0.00 H new ATOM 0 HG1 THR A 10 56.862 2.367 4.598 1.00 0.00 H new ATOM 0 HG21 THR A 10 58.967 1.543 3.768 1.00 0.00 H new ATOM 0 HG22 THR A 10 59.035 1.151 2.034 1.00 0.00 H new ATOM 0 HG23 THR A 10 58.930 2.848 2.559 1.00 0.00 H new ATOM 164 N GLU A 11 56.531 0.078 0.063 1.00 0.00 N ATOM 165 CA GLU A 11 57.042 -0.879 -0.965 1.00 0.00 C ATOM 166 C GLU A 11 57.022 -0.245 -2.363 1.00 0.00 C ATOM 167 O GLU A 11 57.937 -0.419 -3.144 1.00 0.00 O ATOM 168 CB GLU A 11 56.086 -2.068 -0.905 1.00 0.00 C ATOM 169 CG GLU A 11 56.638 -3.210 -1.762 1.00 0.00 C ATOM 170 CD GLU A 11 55.734 -4.436 -1.620 1.00 0.00 C ATOM 171 OE1 GLU A 11 54.772 -4.356 -0.875 1.00 0.00 O ATOM 172 OE2 GLU A 11 56.022 -5.436 -2.258 1.00 0.00 O ATOM 0 H GLU A 11 55.696 -0.227 0.563 1.00 0.00 H new ATOM 0 HA GLU A 11 58.075 -1.168 -0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 11 55.964 -2.399 0.126 1.00 0.00 H new ATOM 0 HB3 GLU A 11 55.100 -1.774 -1.264 1.00 0.00 H new ATOM 0 HG2 GLU A 11 56.691 -2.903 -2.806 1.00 0.00 H new ATOM 0 HG3 GLU A 11 57.653 -3.455 -1.450 1.00 0.00 H new ATOM 179 N ASP A 12 55.986 0.485 -2.685 1.00 0.00 N ATOM 180 CA ASP A 12 55.908 1.124 -4.031 1.00 0.00 C ATOM 181 C ASP A 12 57.024 2.160 -4.179 1.00 0.00 C ATOM 182 O ASP A 12 57.240 2.982 -3.310 1.00 0.00 O ATOM 183 CB ASP A 12 54.527 1.783 -4.070 1.00 0.00 C ATOM 184 CG ASP A 12 54.230 2.263 -5.490 1.00 0.00 C ATOM 185 OD1 ASP A 12 55.150 2.286 -6.290 1.00 0.00 O ATOM 186 OD2 ASP A 12 53.086 2.592 -5.755 1.00 0.00 O ATOM 0 H ASP A 12 55.190 0.666 -2.073 1.00 0.00 H new ATOM 0 HA ASP A 12 56.034 0.413 -4.847 1.00 0.00 H new ATOM 0 HB2 ASP A 12 53.765 1.074 -3.748 1.00 0.00 H new ATOM 0 HB3 ASP A 12 54.494 2.623 -3.376 1.00 0.00 H new ATOM 191 N LEU A 13 57.751 2.112 -5.265 1.00 0.00 N ATOM 192 CA LEU A 13 58.872 3.076 -5.458 1.00 0.00 C ATOM 193 C LEU A 13 59.889 2.916 -4.326 1.00 0.00 C ATOM 194 O LEU A 13 60.499 3.870 -3.886 1.00 0.00 O ATOM 195 CB LEU A 13 58.243 4.475 -5.431 1.00 0.00 C ATOM 196 CG LEU A 13 57.342 4.666 -6.657 1.00 0.00 C ATOM 197 CD1 LEU A 13 56.649 6.032 -6.583 1.00 0.00 C ATOM 198 CD2 LEU A 13 58.194 4.603 -7.927 1.00 0.00 C ATOM 0 H LEU A 13 57.616 1.446 -6.026 1.00 0.00 H new ATOM 0 HA LEU A 13 59.398 2.906 -6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 13 57.662 4.604 -4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 13 59.025 5.235 -5.421 1.00 0.00 H new ATOM 0 HG LEU A 13 56.589 3.878 -6.677 1.00 0.00 H new ATOM 0 HD11 LEU A 13 56.010 6.164 -7.456 1.00 0.00 H new ATOM 0 HD12 LEU A 13 56.043 6.084 -5.678 1.00 0.00 H new ATOM 0 HD13 LEU A 13 57.401 6.821 -6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 13 57.556 4.738 -8.800 1.00 0.00 H new ATOM 0 HD22 LEU A 13 58.945 5.392 -7.901 1.00 0.00 H new ATOM 0 HD23 LEU A 13 58.688 3.633 -7.986 1.00 0.00 H new ATOM 210 N GLY A 14 60.065 1.714 -3.839 1.00 0.00 N ATOM 211 CA GLY A 14 61.034 1.494 -2.726 1.00 0.00 C ATOM 212 C GLY A 14 61.549 0.050 -2.758 1.00 0.00 C ATOM 213 O GLY A 14 62.729 -0.198 -2.611 1.00 0.00 O ATOM 0 H GLY A 14 59.580 0.878 -4.164 1.00 0.00 H new ATOM 0 HA2 GLY A 14 61.869 2.189 -2.817 1.00 0.00 H new ATOM 0 HA3 GLY A 14 60.553 1.696 -1.769 1.00 0.00 H new ATOM 217 N ASP A 15 60.675 -0.905 -2.943 1.00 0.00 N ATOM 218 CA ASP A 15 61.123 -2.329 -2.978 1.00 0.00 C ATOM 219 C ASP A 15 62.103 -2.542 -4.136 1.00 0.00 C ATOM 220 O ASP A 15 63.085 -3.247 -4.012 1.00 0.00 O ATOM 221 CB ASP A 15 59.842 -3.141 -3.191 1.00 0.00 C ATOM 222 CG ASP A 15 60.134 -4.627 -2.975 1.00 0.00 C ATOM 223 OD1 ASP A 15 61.292 -4.964 -2.791 1.00 0.00 O ATOM 224 OD2 ASP A 15 59.193 -5.404 -2.998 1.00 0.00 O ATOM 0 H ASP A 15 59.673 -0.761 -3.071 1.00 0.00 H new ATOM 0 HA ASP A 15 61.642 -2.626 -2.067 1.00 0.00 H new ATOM 0 HB2 ASP A 15 59.069 -2.808 -2.499 1.00 0.00 H new ATOM 0 HB3 ASP A 15 59.459 -2.978 -4.199 1.00 0.00 H new ATOM 229 N LYS A 16 61.844 -1.929 -5.258 1.00 0.00 N ATOM 230 CA LYS A 16 62.757 -2.079 -6.428 1.00 0.00 C ATOM 231 C LYS A 16 63.856 -1.013 -6.384 1.00 0.00 C ATOM 232 O LYS A 16 63.668 0.062 -5.849 1.00 0.00 O ATOM 233 CB LYS A 16 61.864 -1.877 -7.653 1.00 0.00 C ATOM 234 CG LYS A 16 60.884 -3.046 -7.759 1.00 0.00 C ATOM 235 CD LYS A 16 60.004 -2.887 -9.002 1.00 0.00 C ATOM 236 CE LYS A 16 59.622 -4.273 -9.528 1.00 0.00 C ATOM 237 NZ LYS A 16 58.938 -4.019 -10.826 1.00 0.00 N ATOM 0 H LYS A 16 61.035 -1.328 -5.416 1.00 0.00 H new ATOM 0 HA LYS A 16 63.256 -3.048 -6.441 1.00 0.00 H new ATOM 0 HB2 LYS A 16 61.319 -0.937 -7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 16 62.473 -1.814 -8.555 1.00 0.00 H new ATOM 0 HG2 LYS A 16 61.433 -3.986 -7.811 1.00 0.00 H new ATOM 0 HG3 LYS A 16 60.260 -3.089 -6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 16 59.107 -2.318 -8.757 1.00 0.00 H new ATOM 0 HD3 LYS A 16 60.537 -2.327 -9.771 1.00 0.00 H new ATOM 0 HE2 LYS A 16 60.503 -4.900 -9.663 1.00 0.00 H new ATOM 0 HE3 LYS A 16 58.965 -4.792 -8.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 58.646 -4.924 -11.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 58.099 -3.425 -10.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 59.590 -3.530 -11.472 1.00 0.00 H new ATOM 251 N LYS A 17 65.000 -1.298 -6.947 1.00 0.00 N ATOM 252 CA LYS A 17 66.106 -0.296 -6.939 1.00 0.00 C ATOM 253 C LYS A 17 66.081 0.517 -8.242 1.00 0.00 C ATOM 254 O LYS A 17 66.176 -0.023 -9.328 1.00 0.00 O ATOM 255 CB LYS A 17 67.383 -1.133 -6.827 1.00 0.00 C ATOM 256 CG LYS A 17 68.595 -0.213 -6.665 1.00 0.00 C ATOM 257 CD LYS A 17 69.873 -1.053 -6.569 1.00 0.00 C ATOM 258 CE LYS A 17 69.938 -1.746 -5.203 1.00 0.00 C ATOM 259 NZ LYS A 17 71.213 -2.516 -5.222 1.00 0.00 N ATOM 0 H LYS A 17 65.216 -2.180 -7.411 1.00 0.00 H new ATOM 0 HA LYS A 17 66.026 0.423 -6.124 1.00 0.00 H new ATOM 0 HB2 LYS A 17 67.312 -1.809 -5.975 1.00 0.00 H new ATOM 0 HB3 LYS A 17 67.502 -1.752 -7.716 1.00 0.00 H new ATOM 0 HG2 LYS A 17 68.660 0.470 -7.512 1.00 0.00 H new ATOM 0 HG3 LYS A 17 68.482 0.398 -5.770 1.00 0.00 H new ATOM 0 HD2 LYS A 17 69.891 -1.797 -7.366 1.00 0.00 H new ATOM 0 HD3 LYS A 17 70.748 -0.418 -6.707 1.00 0.00 H new ATOM 0 HE2 LYS A 17 69.928 -1.019 -4.391 1.00 0.00 H new ATOM 0 HE3 LYS A 17 69.082 -2.404 -5.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 71.329 -3.019 -4.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 71.191 -3.205 -6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 72.011 -1.863 -5.359 1.00 0.00 H new ATOM 273 N GLU A 18 65.943 1.813 -8.135 1.00 0.00 N ATOM 274 CA GLU A 18 65.889 2.677 -9.354 1.00 0.00 C ATOM 275 C GLU A 18 67.172 2.543 -10.171 1.00 0.00 C ATOM 276 O GLU A 18 67.143 2.530 -11.387 1.00 0.00 O ATOM 277 CB GLU A 18 65.756 4.102 -8.816 1.00 0.00 C ATOM 278 CG GLU A 18 65.561 5.074 -9.982 1.00 0.00 C ATOM 279 CD GLU A 18 65.537 6.507 -9.449 1.00 0.00 C ATOM 280 OE1 GLU A 18 65.263 6.675 -8.273 1.00 0.00 O ATOM 281 OE2 GLU A 18 65.799 7.411 -10.225 1.00 0.00 O ATOM 0 H GLU A 18 65.865 2.314 -7.250 1.00 0.00 H new ATOM 0 HA GLU A 18 65.066 2.399 -10.013 1.00 0.00 H new ATOM 0 HB2 GLU A 18 64.911 4.166 -8.131 1.00 0.00 H new ATOM 0 HB3 GLU A 18 66.647 4.372 -8.249 1.00 0.00 H new ATOM 0 HG2 GLU A 18 66.367 4.957 -10.706 1.00 0.00 H new ATOM 0 HG3 GLU A 18 64.630 4.852 -10.503 1.00 0.00 H new ATOM 288 N GLY A 19 68.299 2.453 -9.524 1.00 0.00 N ATOM 289 CA GLY A 19 69.572 2.330 -10.285 1.00 0.00 C ATOM 290 C GLY A 19 70.559 1.455 -9.513 1.00 0.00 C ATOM 291 O GLY A 19 70.420 1.240 -8.324 1.00 0.00 O ATOM 0 H GLY A 19 68.394 2.459 -8.508 1.00 0.00 H new ATOM 0 HA2 GLY A 19 69.379 1.896 -11.266 1.00 0.00 H new ATOM 0 HA3 GLY A 19 70.002 3.317 -10.452 1.00 0.00 H new ATOM 295 N GLU A 20 71.557 0.948 -10.181 1.00 0.00 N ATOM 296 CA GLU A 20 72.555 0.081 -9.491 1.00 0.00 C ATOM 297 C GLU A 20 73.682 0.942 -8.914 1.00 0.00 C ATOM 298 O GLU A 20 74.657 0.431 -8.406 1.00 0.00 O ATOM 299 CB GLU A 20 73.108 -0.848 -10.579 1.00 0.00 C ATOM 300 CG GLU A 20 74.168 -0.105 -11.398 1.00 0.00 C ATOM 301 CD GLU A 20 74.686 -1.009 -12.517 1.00 0.00 C ATOM 302 OE1 GLU A 20 74.902 -2.181 -12.253 1.00 0.00 O ATOM 303 OE2 GLU A 20 74.860 -0.514 -13.617 1.00 0.00 O ATOM 0 H GLU A 20 71.726 1.096 -11.176 1.00 0.00 H new ATOM 0 HA GLU A 20 72.112 -0.477 -8.666 1.00 0.00 H new ATOM 0 HB2 GLU A 20 73.543 -1.738 -10.125 1.00 0.00 H new ATOM 0 HB3 GLU A 20 72.301 -1.184 -11.230 1.00 0.00 H new ATOM 0 HG2 GLU A 20 73.742 0.805 -11.821 1.00 0.00 H new ATOM 0 HG3 GLU A 20 74.992 0.199 -10.753 1.00 0.00 H new ATOM 310 N TYR A 21 73.560 2.241 -8.985 1.00 0.00 N ATOM 311 CA TYR A 21 74.640 3.109 -8.435 1.00 0.00 C ATOM 312 C TYR A 21 74.264 3.609 -7.049 1.00 0.00 C ATOM 313 O TYR A 21 73.128 3.941 -6.770 1.00 0.00 O ATOM 314 CB TYR A 21 74.782 4.285 -9.397 1.00 0.00 C ATOM 315 CG TYR A 21 75.151 3.784 -10.767 1.00 0.00 C ATOM 316 CD1 TYR A 21 76.458 3.354 -11.025 1.00 0.00 C ATOM 317 CD2 TYR A 21 74.190 3.757 -11.782 1.00 0.00 C ATOM 318 CE1 TYR A 21 76.802 2.896 -12.302 1.00 0.00 C ATOM 319 CE2 TYR A 21 74.535 3.301 -13.059 1.00 0.00 C ATOM 320 CZ TYR A 21 75.840 2.871 -13.320 1.00 0.00 C ATOM 321 OH TYR A 21 76.175 2.423 -14.578 1.00 0.00 O ATOM 0 H TYR A 21 72.767 2.734 -9.396 1.00 0.00 H new ATOM 0 HA TYR A 21 75.576 2.558 -8.341 1.00 0.00 H new ATOM 0 HB2 TYR A 21 73.847 4.843 -9.444 1.00 0.00 H new ATOM 0 HB3 TYR A 21 75.546 4.973 -9.034 1.00 0.00 H new ATOM 0 HD1 TYR A 21 77.200 3.376 -10.240 1.00 0.00 H new ATOM 0 HD2 TYR A 21 73.182 4.088 -11.581 1.00 0.00 H new ATOM 0 HE1 TYR A 21 77.809 2.562 -12.503 1.00 0.00 H new ATOM 0 HE2 TYR A 21 73.793 3.281 -13.844 1.00 0.00 H new ATOM 0 HH TYR A 21 75.390 2.471 -15.162 1.00 0.00 H new ATOM 331 N ILE A 22 75.222 3.654 -6.174 1.00 0.00 N ATOM 332 CA ILE A 22 74.956 4.117 -4.791 1.00 0.00 C ATOM 333 C ILE A 22 75.987 5.169 -4.419 1.00 0.00 C ATOM 334 O ILE A 22 76.994 5.297 -5.076 1.00 0.00 O ATOM 335 CB ILE A 22 75.152 2.866 -3.935 1.00 0.00 C ATOM 336 CG1 ILE A 22 76.675 2.579 -3.799 1.00 0.00 C ATOM 337 CG2 ILE A 22 74.424 1.698 -4.614 1.00 0.00 C ATOM 338 CD1 ILE A 22 77.011 1.118 -4.118 1.00 0.00 C ATOM 0 H ILE A 22 76.189 3.387 -6.360 1.00 0.00 H new ATOM 0 HA ILE A 22 73.967 4.557 -4.663 1.00 0.00 H new ATOM 0 HB ILE A 22 74.741 3.005 -2.935 1.00 0.00 H new ATOM 0 HG12 ILE A 22 77.229 3.234 -4.471 1.00 0.00 H new ATOM 0 HG13 ILE A 22 77.000 2.813 -2.785 1.00 0.00 H new ATOM 0 HG21 ILE A 22 74.552 0.794 -4.018 1.00 0.00 H new ATOM 0 HG22 ILE A 22 73.362 1.930 -4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 22 74.840 1.539 -5.609 1.00 0.00 H new ATOM 0 HD11 ILE A 22 78.084 0.960 -4.011 1.00 0.00 H new ATOM 0 HD12 ILE A 22 76.477 0.463 -3.429 1.00 0.00 H new ATOM 0 HD13 ILE A 22 76.711 0.891 -5.141 1.00 0.00 H new ATOM 350 N LYS A 23 75.783 5.892 -3.364 1.00 0.00 N ATOM 351 CA LYS A 23 76.815 6.878 -2.980 1.00 0.00 C ATOM 352 C LYS A 23 77.652 6.313 -1.840 1.00 0.00 C ATOM 353 O LYS A 23 77.170 6.080 -0.748 1.00 0.00 O ATOM 354 CB LYS A 23 76.073 8.141 -2.548 1.00 0.00 C ATOM 355 CG LYS A 23 77.106 9.215 -2.212 1.00 0.00 C ATOM 356 CD LYS A 23 76.439 10.590 -2.192 1.00 0.00 C ATOM 357 CE LYS A 23 77.516 11.673 -2.097 1.00 0.00 C ATOM 358 NZ LYS A 23 76.784 12.906 -1.698 1.00 0.00 N ATOM 0 H LYS A 23 74.962 5.846 -2.760 1.00 0.00 H new ATOM 0 HA LYS A 23 77.492 7.103 -3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 23 75.414 8.485 -3.345 1.00 0.00 H new ATOM 0 HB3 LYS A 23 75.445 7.934 -1.681 1.00 0.00 H new ATOM 0 HG2 LYS A 23 77.558 9.006 -1.242 1.00 0.00 H new ATOM 0 HG3 LYS A 23 77.910 9.202 -2.948 1.00 0.00 H new ATOM 0 HD2 LYS A 23 75.844 10.731 -3.094 1.00 0.00 H new ATOM 0 HD3 LYS A 23 75.757 10.664 -1.345 1.00 0.00 H new ATOM 0 HE2 LYS A 23 78.277 11.410 -1.362 1.00 0.00 H new ATOM 0 HE3 LYS A 23 78.026 11.808 -3.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 77.455 13.696 -1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 76.071 13.135 -2.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 76.314 12.750 -0.784 1.00 0.00 H new ATOM 372 N LEU A 24 78.907 6.093 -2.094 1.00 0.00 N ATOM 373 CA LEU A 24 79.799 5.548 -1.044 1.00 0.00 C ATOM 374 C LEU A 24 80.929 6.537 -0.803 1.00 0.00 C ATOM 375 O LEU A 24 81.411 7.168 -1.720 1.00 0.00 O ATOM 376 CB LEU A 24 80.345 4.244 -1.614 1.00 0.00 C ATOM 377 CG LEU A 24 81.189 3.545 -0.551 1.00 0.00 C ATOM 378 CD1 LEU A 24 81.157 2.038 -0.798 1.00 0.00 C ATOM 379 CD2 LEU A 24 82.630 4.058 -0.630 1.00 0.00 C ATOM 0 H LEU A 24 79.356 6.269 -2.993 1.00 0.00 H new ATOM 0 HA LEU A 24 79.287 5.381 -0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 24 79.524 3.598 -1.926 1.00 0.00 H new ATOM 0 HB3 LEU A 24 80.948 4.445 -2.500 1.00 0.00 H new ATOM 0 HG LEU A 24 80.789 3.756 0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 24 81.758 1.533 -0.042 1.00 0.00 H new ATOM 0 HD12 LEU A 24 80.128 1.682 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 24 81.562 1.823 -1.787 1.00 0.00 H new ATOM 0 HD21 LEU A 24 83.235 3.561 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 24 83.038 3.845 -1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 24 82.643 5.134 -0.456 1.00 0.00 H new ATOM 391 N LYS A 25 81.359 6.692 0.409 1.00 0.00 N ATOM 392 CA LYS A 25 82.458 7.656 0.661 1.00 0.00 C ATOM 393 C LYS A 25 83.490 7.026 1.597 1.00 0.00 C ATOM 394 O LYS A 25 83.143 6.406 2.581 1.00 0.00 O ATOM 395 CB LYS A 25 81.775 8.851 1.325 1.00 0.00 C ATOM 396 CG LYS A 25 81.161 8.400 2.656 1.00 0.00 C ATOM 397 CD LYS A 25 80.006 9.326 3.051 1.00 0.00 C ATOM 398 CE LYS A 25 79.335 8.783 4.317 1.00 0.00 C ATOM 399 NZ LYS A 25 78.201 9.710 4.578 1.00 0.00 N ATOM 0 H LYS A 25 81.004 6.201 1.229 1.00 0.00 H new ATOM 0 HA LYS A 25 82.989 7.946 -0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 25 82.496 9.650 1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 25 81.002 9.254 0.671 1.00 0.00 H new ATOM 0 HG2 LYS A 25 80.801 7.375 2.569 1.00 0.00 H new ATOM 0 HG3 LYS A 25 81.923 8.405 3.436 1.00 0.00 H new ATOM 0 HD2 LYS A 25 80.377 10.336 3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 25 79.281 9.389 2.239 1.00 0.00 H new ATOM 0 HE2 LYS A 25 78.984 7.761 4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 25 80.031 8.764 5.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 77.692 9.404 5.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 78.566 10.674 4.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 77.552 9.702 3.766 1.00 0.00 H new ATOM 413 N VAL A 26 84.754 7.173 1.313 1.00 0.00 N ATOM 414 CA VAL A 26 85.767 6.566 2.219 1.00 0.00 C ATOM 415 C VAL A 26 86.734 7.639 2.726 1.00 0.00 C ATOM 416 O VAL A 26 87.146 8.523 2.003 1.00 0.00 O ATOM 417 CB VAL A 26 86.499 5.489 1.390 1.00 0.00 C ATOM 418 CG1 VAL A 26 85.518 4.811 0.432 1.00 0.00 C ATOM 419 CG2 VAL A 26 87.636 6.107 0.572 1.00 0.00 C ATOM 0 H VAL A 26 85.125 7.678 0.508 1.00 0.00 H new ATOM 0 HA VAL A 26 85.306 6.121 3.101 1.00 0.00 H new ATOM 0 HB VAL A 26 86.914 4.757 2.083 1.00 0.00 H new ATOM 0 HG11 VAL A 26 86.042 4.053 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 26 84.717 4.341 1.003 1.00 0.00 H new ATOM 0 HG13 VAL A 26 85.094 5.556 -0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 26 88.136 5.328 -0.003 1.00 0.00 H new ATOM 0 HG22 VAL A 26 87.230 6.856 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 26 88.353 6.578 1.244 1.00 0.00 H new ATOM 429 N ILE A 27 87.101 7.566 3.969 1.00 0.00 N ATOM 430 CA ILE A 27 88.051 8.570 4.516 1.00 0.00 C ATOM 431 C ILE A 27 89.236 7.854 5.162 1.00 0.00 C ATOM 432 O ILE A 27 89.094 6.796 5.741 1.00 0.00 O ATOM 433 CB ILE A 27 87.246 9.395 5.527 1.00 0.00 C ATOM 434 CG1 ILE A 27 86.601 8.476 6.575 1.00 0.00 C ATOM 435 CG2 ILE A 27 86.162 10.188 4.794 1.00 0.00 C ATOM 436 CD1 ILE A 27 86.063 9.326 7.730 1.00 0.00 C ATOM 0 H ILE A 27 86.786 6.857 4.631 1.00 0.00 H new ATOM 0 HA ILE A 27 88.469 9.221 3.748 1.00 0.00 H new ATOM 0 HB ILE A 27 87.919 10.085 6.036 1.00 0.00 H new ATOM 0 HG12 ILE A 27 85.792 7.902 6.123 1.00 0.00 H new ATOM 0 HG13 ILE A 27 87.333 7.759 6.946 1.00 0.00 H new ATOM 0 HG21 ILE A 27 85.590 10.774 5.514 1.00 0.00 H new ATOM 0 HG22 ILE A 27 86.627 10.857 4.070 1.00 0.00 H new ATOM 0 HG23 ILE A 27 85.495 9.499 4.276 1.00 0.00 H new ATOM 0 HD11 ILE A 27 85.604 8.677 8.476 1.00 0.00 H new ATOM 0 HD12 ILE A 27 86.883 9.881 8.186 1.00 0.00 H new ATOM 0 HD13 ILE A 27 85.318 10.026 7.351 1.00 0.00 H new ATOM 448 N GLY A 28 90.411 8.408 5.040 1.00 0.00 N ATOM 449 CA GLY A 28 91.610 7.742 5.617 1.00 0.00 C ATOM 450 C GLY A 28 92.254 8.617 6.695 1.00 0.00 C ATOM 451 O GLY A 28 92.184 9.836 6.655 1.00 0.00 O ATOM 0 H GLY A 28 90.591 9.293 4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 28 91.326 6.780 6.045 1.00 0.00 H new ATOM 0 HA3 GLY A 28 92.334 7.539 4.827 1.00 0.00 H new ATOM 455 N GLN A 29 92.895 7.982 7.648 1.00 0.00 N ATOM 456 CA GLN A 29 93.576 8.716 8.754 1.00 0.00 C ATOM 457 C GLN A 29 94.477 9.811 8.186 1.00 0.00 C ATOM 458 O GLN A 29 94.813 10.768 8.855 1.00 0.00 O ATOM 459 CB GLN A 29 94.427 7.652 9.447 1.00 0.00 C ATOM 460 CG GLN A 29 95.051 8.238 10.712 1.00 0.00 C ATOM 461 CD GLN A 29 96.189 7.331 11.185 1.00 0.00 C ATOM 462 OE1 GLN A 29 96.000 6.505 12.056 1.00 0.00 O ATOM 463 NE2 GLN A 29 97.372 7.454 10.648 1.00 0.00 N ATOM 0 H GLN A 29 92.974 6.967 7.704 1.00 0.00 H new ATOM 0 HA GLN A 29 92.870 9.198 9.429 1.00 0.00 H new ATOM 0 HB2 GLN A 29 93.812 6.788 9.699 1.00 0.00 H new ATOM 0 HB3 GLN A 29 95.208 7.301 8.773 1.00 0.00 H new ATOM 0 HG2 GLN A 29 95.429 9.241 10.513 1.00 0.00 H new ATOM 0 HG3 GLN A 29 94.297 8.331 11.493 1.00 0.00 H new ATOM 0 HE21 GLN A 29 97.531 8.147 9.917 1.00 0.00 H new ATOM 0 HE22 GLN A 29 98.138 6.857 10.959 1.00 0.00 H new ATOM 472 N ASP A 30 94.866 9.675 6.950 1.00 0.00 N ATOM 473 CA ASP A 30 95.747 10.699 6.318 1.00 0.00 C ATOM 474 C ASP A 30 94.947 11.970 5.983 1.00 0.00 C ATOM 475 O ASP A 30 95.423 12.837 5.280 1.00 0.00 O ATOM 476 CB ASP A 30 96.251 10.035 5.040 1.00 0.00 C ATOM 477 CG ASP A 30 95.065 9.781 4.114 1.00 0.00 C ATOM 478 OD1 ASP A 30 93.956 10.102 4.508 1.00 0.00 O ATOM 479 OD2 ASP A 30 95.284 9.273 3.028 1.00 0.00 O ATOM 0 H ASP A 30 94.611 8.894 6.345 1.00 0.00 H new ATOM 0 HA ASP A 30 96.560 11.007 6.976 1.00 0.00 H new ATOM 0 HB2 ASP A 30 96.984 10.674 4.547 1.00 0.00 H new ATOM 0 HB3 ASP A 30 96.753 9.097 5.276 1.00 0.00 H new ATOM 484 N SER A 31 93.735 12.073 6.476 1.00 0.00 N ATOM 485 CA SER A 31 92.883 13.269 6.200 1.00 0.00 C ATOM 486 C SER A 31 92.432 13.287 4.741 1.00 0.00 C ATOM 487 O SER A 31 92.387 14.326 4.113 1.00 0.00 O ATOM 488 CB SER A 31 93.754 14.492 6.507 1.00 0.00 C ATOM 489 OG SER A 31 92.937 15.659 6.510 1.00 0.00 O ATOM 0 H SER A 31 93.296 11.367 7.067 1.00 0.00 H new ATOM 0 HA SER A 31 91.980 13.259 6.811 1.00 0.00 H new ATOM 0 HB2 SER A 31 94.242 14.372 7.474 1.00 0.00 H new ATOM 0 HB3 SER A 31 94.543 14.588 5.761 1.00 0.00 H new ATOM 0 HG SER A 31 92.492 15.749 5.642 1.00 0.00 H new ATOM 495 N SER A 32 92.076 12.154 4.197 1.00 0.00 N ATOM 496 CA SER A 32 91.610 12.147 2.778 1.00 0.00 C ATOM 497 C SER A 32 90.104 11.888 2.729 1.00 0.00 C ATOM 498 O SER A 32 89.650 10.798 3.011 1.00 0.00 O ATOM 499 CB SER A 32 92.345 10.993 2.097 1.00 0.00 C ATOM 500 OG SER A 32 93.740 11.081 2.367 1.00 0.00 O ATOM 0 H SER A 32 92.086 11.247 4.663 1.00 0.00 H new ATOM 0 HA SER A 32 91.809 13.100 2.288 1.00 0.00 H new ATOM 0 HB2 SER A 32 91.956 10.040 2.456 1.00 0.00 H new ATOM 0 HB3 SER A 32 92.171 11.024 1.021 1.00 0.00 H new ATOM 0 HG SER A 32 94.184 10.261 2.065 1.00 0.00 H new ATOM 506 N GLU A 33 89.325 12.864 2.364 1.00 0.00 N ATOM 507 CA GLU A 33 87.858 12.633 2.295 1.00 0.00 C ATOM 508 C GLU A 33 87.376 12.653 0.845 1.00 0.00 C ATOM 509 O GLU A 33 87.402 13.671 0.182 1.00 0.00 O ATOM 510 CB GLU A 33 87.221 13.777 3.081 1.00 0.00 C ATOM 511 CG GLU A 33 85.696 13.690 2.948 1.00 0.00 C ATOM 512 CD GLU A 33 85.038 14.619 3.973 1.00 0.00 C ATOM 513 OE1 GLU A 33 85.643 14.852 5.007 1.00 0.00 O ATOM 514 OE2 GLU A 33 83.940 15.079 3.708 1.00 0.00 O ATOM 0 H GLU A 33 89.636 13.802 2.113 1.00 0.00 H new ATOM 0 HA GLU A 33 87.588 11.660 2.706 1.00 0.00 H new ATOM 0 HB2 GLU A 33 87.511 13.719 4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 33 87.577 14.736 2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 33 85.392 13.971 1.940 1.00 0.00 H new ATOM 0 HG3 GLU A 33 85.365 12.664 3.107 1.00 0.00 H new ATOM 521 N ILE A 34 86.901 11.538 0.364 1.00 0.00 N ATOM 522 CA ILE A 34 86.372 11.485 -1.029 1.00 0.00 C ATOM 523 C ILE A 34 84.964 10.904 -1.005 1.00 0.00 C ATOM 524 O ILE A 34 84.745 9.803 -0.530 1.00 0.00 O ATOM 525 CB ILE A 34 87.302 10.559 -1.820 1.00 0.00 C ATOM 526 CG1 ILE A 34 87.442 9.216 -1.099 1.00 0.00 C ATOM 527 CG2 ILE A 34 88.674 11.204 -1.984 1.00 0.00 C ATOM 528 CD1 ILE A 34 86.689 8.146 -1.893 1.00 0.00 C ATOM 0 H ILE A 34 86.856 10.658 0.877 1.00 0.00 H new ATOM 0 HA ILE A 34 86.333 12.476 -1.481 1.00 0.00 H new ATOM 0 HB ILE A 34 86.871 10.391 -2.807 1.00 0.00 H new ATOM 0 HG12 ILE A 34 88.494 8.946 -1.006 1.00 0.00 H new ATOM 0 HG13 ILE A 34 87.041 9.287 -0.088 1.00 0.00 H new ATOM 0 HG21 ILE A 34 89.325 10.536 -2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 34 88.571 12.148 -2.520 1.00 0.00 H new ATOM 0 HG23 ILE A 34 89.108 11.390 -1.002 1.00 0.00 H new ATOM 0 HD11 ILE A 34 86.782 7.185 -1.388 1.00 0.00 H new ATOM 0 HD12 ILE A 34 85.636 8.418 -1.963 1.00 0.00 H new ATOM 0 HD13 ILE A 34 87.112 8.072 -2.895 1.00 0.00 H new ATOM 540 N HIS A 35 84.011 11.620 -1.525 1.00 0.00 N ATOM 541 CA HIS A 35 82.626 11.090 -1.544 1.00 0.00 C ATOM 542 C HIS A 35 82.184 10.898 -2.995 1.00 0.00 C ATOM 543 O HIS A 35 82.264 11.807 -3.800 1.00 0.00 O ATOM 544 CB HIS A 35 81.774 12.146 -0.842 1.00 0.00 C ATOM 545 CG HIS A 35 82.208 12.249 0.592 1.00 0.00 C ATOM 546 ND1 HIS A 35 81.551 11.574 1.605 1.00 0.00 N ATOM 547 CD2 HIS A 35 83.245 12.916 1.194 1.00 0.00 C ATOM 548 CE1 HIS A 35 82.195 11.841 2.754 1.00 0.00 C ATOM 549 NE2 HIS A 35 83.235 12.657 2.561 1.00 0.00 N ATOM 0 H HIS A 35 84.131 12.546 -1.936 1.00 0.00 H new ATOM 0 HA HIS A 35 82.535 10.125 -1.046 1.00 0.00 H new ATOM 0 HB2 HIS A 35 81.884 13.110 -1.339 1.00 0.00 H new ATOM 0 HB3 HIS A 35 80.719 11.877 -0.898 1.00 0.00 H new ATOM 0 HD1 HIS A 35 80.728 10.981 1.499 1.00 0.00 H new ATOM 0 HD2 HIS A 35 83.960 13.546 0.685 1.00 0.00 H new ATOM 0 HE1 HIS A 35 81.907 11.444 3.716 1.00 0.00 H new ATOM 557 N PHE A 36 81.739 9.721 -3.344 1.00 0.00 N ATOM 558 CA PHE A 36 81.317 9.477 -4.753 1.00 0.00 C ATOM 559 C PHE A 36 80.399 8.249 -4.838 1.00 0.00 C ATOM 560 O PHE A 36 80.286 7.484 -3.901 1.00 0.00 O ATOM 561 CB PHE A 36 82.633 9.257 -5.496 1.00 0.00 C ATOM 562 CG PHE A 36 83.301 7.988 -5.012 1.00 0.00 C ATOM 563 CD1 PHE A 36 83.839 7.923 -3.720 1.00 0.00 C ATOM 564 CD2 PHE A 36 83.394 6.882 -5.865 1.00 0.00 C ATOM 565 CE1 PHE A 36 84.468 6.750 -3.282 1.00 0.00 C ATOM 566 CE2 PHE A 36 84.022 5.710 -5.426 1.00 0.00 C ATOM 567 CZ PHE A 36 84.558 5.644 -4.135 1.00 0.00 C ATOM 0 H PHE A 36 81.650 8.921 -2.717 1.00 0.00 H new ATOM 0 HA PHE A 36 80.741 10.299 -5.178 1.00 0.00 H new ATOM 0 HB2 PHE A 36 82.447 9.193 -6.568 1.00 0.00 H new ATOM 0 HB3 PHE A 36 83.295 10.108 -5.338 1.00 0.00 H new ATOM 0 HD1 PHE A 36 83.769 8.777 -3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 36 82.981 6.933 -6.862 1.00 0.00 H new ATOM 0 HE1 PHE A 36 84.883 6.699 -2.286 1.00 0.00 H new ATOM 0 HE2 PHE A 36 84.093 4.857 -6.084 1.00 0.00 H new ATOM 0 HZ PHE A 36 85.041 4.739 -3.797 1.00 0.00 H new ATOM 577 N LYS A 37 79.726 8.062 -5.945 1.00 0.00 N ATOM 578 CA LYS A 37 78.801 6.894 -6.062 1.00 0.00 C ATOM 579 C LYS A 37 79.349 5.849 -7.040 1.00 0.00 C ATOM 580 O LYS A 37 80.017 6.168 -8.003 1.00 0.00 O ATOM 581 CB LYS A 37 77.506 7.476 -6.627 1.00 0.00 C ATOM 582 CG LYS A 37 76.998 8.616 -5.737 1.00 0.00 C ATOM 583 CD LYS A 37 75.986 9.459 -6.522 1.00 0.00 C ATOM 584 CE LYS A 37 74.759 8.605 -6.865 1.00 0.00 C ATOM 585 NZ LYS A 37 73.887 9.487 -7.695 1.00 0.00 N ATOM 0 H LYS A 37 79.776 8.663 -6.768 1.00 0.00 H new ATOM 0 HA LYS A 37 78.668 6.397 -5.101 1.00 0.00 H new ATOM 0 HB2 LYS A 37 77.677 7.845 -7.639 1.00 0.00 H new ATOM 0 HB3 LYS A 37 76.749 6.695 -6.696 1.00 0.00 H new ATOM 0 HG2 LYS A 37 76.532 8.211 -4.838 1.00 0.00 H new ATOM 0 HG3 LYS A 37 77.832 9.238 -5.411 1.00 0.00 H new ATOM 0 HD2 LYS A 37 75.685 10.325 -5.933 1.00 0.00 H new ATOM 0 HD3 LYS A 37 76.444 9.838 -7.435 1.00 0.00 H new ATOM 0 HE2 LYS A 37 75.045 7.707 -7.412 1.00 0.00 H new ATOM 0 HE3 LYS A 37 74.243 8.278 -5.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 73.027 8.969 -7.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 73.624 10.330 -7.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 74.401 9.777 -8.551 1.00 0.00 H new ATOM 599 N VAL A 38 79.057 4.600 -6.796 1.00 0.00 N ATOM 600 CA VAL A 38 79.541 3.515 -7.699 1.00 0.00 C ATOM 601 C VAL A 38 78.455 2.437 -7.822 1.00 0.00 C ATOM 602 O VAL A 38 77.410 2.539 -7.211 1.00 0.00 O ATOM 603 CB VAL A 38 80.788 2.972 -7.001 1.00 0.00 C ATOM 604 CG1 VAL A 38 81.374 1.808 -7.799 1.00 0.00 C ATOM 605 CG2 VAL A 38 81.828 4.087 -6.902 1.00 0.00 C ATOM 0 H VAL A 38 78.499 4.282 -6.003 1.00 0.00 H new ATOM 0 HA VAL A 38 79.764 3.855 -8.710 1.00 0.00 H new ATOM 0 HB VAL A 38 80.517 2.620 -6.006 1.00 0.00 H new ATOM 0 HG11 VAL A 38 82.262 1.430 -7.292 1.00 0.00 H new ATOM 0 HG12 VAL A 38 80.634 1.012 -7.878 1.00 0.00 H new ATOM 0 HG13 VAL A 38 81.645 2.151 -8.797 1.00 0.00 H new ATOM 0 HG21 VAL A 38 82.721 3.708 -6.405 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.088 4.432 -7.903 1.00 0.00 H new ATOM 0 HG23 VAL A 38 81.418 4.917 -6.327 1.00 0.00 H new ATOM 615 N LYS A 39 78.681 1.401 -8.585 1.00 0.00 N ATOM 616 CA LYS A 39 77.640 0.339 -8.699 1.00 0.00 C ATOM 617 C LYS A 39 77.977 -0.835 -7.776 1.00 0.00 C ATOM 618 O LYS A 39 79.055 -1.394 -7.821 1.00 0.00 O ATOM 619 CB LYS A 39 77.642 -0.099 -10.166 1.00 0.00 C ATOM 620 CG LYS A 39 78.988 -0.745 -10.503 1.00 0.00 C ATOM 621 CD LYS A 39 79.102 -0.949 -12.014 1.00 0.00 C ATOM 622 CE LYS A 39 80.528 -1.387 -12.357 1.00 0.00 C ATOM 623 NZ LYS A 39 80.631 -1.262 -13.839 1.00 0.00 N ATOM 0 H LYS A 39 79.530 1.245 -9.128 1.00 0.00 H new ATOM 0 HA LYS A 39 76.657 0.703 -8.401 1.00 0.00 H new ATOM 0 HB2 LYS A 39 76.832 -0.805 -10.347 1.00 0.00 H new ATOM 0 HB3 LYS A 39 77.466 0.760 -10.814 1.00 0.00 H new ATOM 0 HG2 LYS A 39 79.803 -0.113 -10.150 1.00 0.00 H new ATOM 0 HG3 LYS A 39 79.081 -1.702 -9.990 1.00 0.00 H new ATOM 0 HD2 LYS A 39 78.388 -1.702 -12.346 1.00 0.00 H new ATOM 0 HD3 LYS A 39 78.857 -0.025 -12.537 1.00 0.00 H new ATOM 0 HE2 LYS A 39 81.264 -0.758 -11.857 1.00 0.00 H new ATOM 0 HE3 LYS A 39 80.713 -2.412 -12.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 81.583 -1.546 -14.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 79.924 -1.878 -14.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 80.458 -0.275 -14.117 1.00 0.00 H new ATOM 637 N MET A 40 77.054 -1.197 -6.928 1.00 0.00 N ATOM 638 CA MET A 40 77.289 -2.321 -5.979 1.00 0.00 C ATOM 639 C MET A 40 76.205 -3.388 -6.117 1.00 0.00 C ATOM 640 O MET A 40 75.238 -3.399 -5.384 1.00 0.00 O ATOM 641 CB MET A 40 77.202 -1.671 -4.610 1.00 0.00 C ATOM 642 CG MET A 40 77.323 -2.739 -3.531 1.00 0.00 C ATOM 643 SD MET A 40 76.021 -2.471 -2.312 1.00 0.00 S ATOM 644 CE MET A 40 76.785 -1.078 -1.447 1.00 0.00 C ATOM 0 H MET A 40 76.137 -0.757 -6.852 1.00 0.00 H new ATOM 0 HA MET A 40 78.241 -2.820 -6.159 1.00 0.00 H new ATOM 0 HB2 MET A 40 77.995 -0.932 -4.496 1.00 0.00 H new ATOM 0 HB3 MET A 40 76.255 -1.141 -4.507 1.00 0.00 H new ATOM 0 HG2 MET A 40 77.232 -3.733 -3.970 1.00 0.00 H new ATOM 0 HG3 MET A 40 78.303 -2.688 -3.056 1.00 0.00 H new ATOM 0 HE1 MET A 40 77.052 -1.381 -0.435 1.00 0.00 H new ATOM 0 HE2 MET A 40 77.682 -0.766 -1.981 1.00 0.00 H new ATOM 0 HE3 MET A 40 76.081 -0.247 -1.403 1.00 0.00 H new ATOM 654 N THR A 41 76.375 -4.300 -7.031 1.00 0.00 N ATOM 655 CA THR A 41 75.371 -5.390 -7.190 1.00 0.00 C ATOM 656 C THR A 41 75.943 -6.678 -6.599 1.00 0.00 C ATOM 657 O THR A 41 75.236 -7.633 -6.341 1.00 0.00 O ATOM 658 CB THR A 41 75.161 -5.545 -8.699 1.00 0.00 C ATOM 659 OG1 THR A 41 76.382 -5.937 -9.318 1.00 0.00 O ATOM 660 CG2 THR A 41 74.678 -4.220 -9.290 1.00 0.00 C ATOM 0 H THR A 41 77.165 -4.339 -7.675 1.00 0.00 H new ATOM 0 HA THR A 41 74.432 -5.171 -6.683 1.00 0.00 H new ATOM 0 HB THR A 41 74.409 -6.312 -8.881 1.00 0.00 H new ATOM 0 HG1 THR A 41 76.242 -6.037 -10.283 1.00 0.00 H new ATOM 0 HG21 THR A 41 74.529 -4.333 -10.364 1.00 0.00 H new ATOM 0 HG22 THR A 41 73.736 -3.934 -8.821 1.00 0.00 H new ATOM 0 HG23 THR A 41 75.424 -3.446 -9.106 1.00 0.00 H new ATOM 668 N THR A 42 77.230 -6.695 -6.380 1.00 0.00 N ATOM 669 CA THR A 42 77.894 -7.896 -5.805 1.00 0.00 C ATOM 670 C THR A 42 78.669 -7.492 -4.556 1.00 0.00 C ATOM 671 O THR A 42 78.205 -6.704 -3.757 1.00 0.00 O ATOM 672 CB THR A 42 78.846 -8.384 -6.895 1.00 0.00 C ATOM 673 OG1 THR A 42 79.453 -9.603 -6.492 1.00 0.00 O ATOM 674 CG2 THR A 42 79.923 -7.329 -7.138 1.00 0.00 C ATOM 0 H THR A 42 77.857 -5.915 -6.579 1.00 0.00 H new ATOM 0 HA THR A 42 77.186 -8.673 -5.515 1.00 0.00 H new ATOM 0 HB THR A 42 78.287 -8.551 -7.816 1.00 0.00 H new ATOM 0 HG1 THR A 42 80.062 -9.913 -7.194 1.00 0.00 H new ATOM 0 HG21 THR A 42 80.603 -7.676 -7.916 1.00 0.00 H new ATOM 0 HG22 THR A 42 79.455 -6.397 -7.455 1.00 0.00 H new ATOM 0 HG23 THR A 42 80.481 -7.160 -6.217 1.00 0.00 H new ATOM 682 N HIS A 43 79.844 -8.018 -4.368 1.00 0.00 N ATOM 683 CA HIS A 43 80.610 -7.637 -3.151 1.00 0.00 C ATOM 684 C HIS A 43 81.125 -6.201 -3.332 1.00 0.00 C ATOM 685 O HIS A 43 81.160 -5.682 -4.430 1.00 0.00 O ATOM 686 CB HIS A 43 81.760 -8.654 -3.013 1.00 0.00 C ATOM 687 CG HIS A 43 81.351 -10.000 -3.560 1.00 0.00 C ATOM 688 ND1 HIS A 43 82.136 -10.703 -4.461 1.00 0.00 N ATOM 689 CD2 HIS A 43 80.246 -10.780 -3.341 1.00 0.00 C ATOM 690 CE1 HIS A 43 81.497 -11.851 -4.747 1.00 0.00 C ATOM 691 NE2 HIS A 43 80.338 -11.949 -4.091 1.00 0.00 N ATOM 0 H HIS A 43 80.302 -8.683 -4.991 1.00 0.00 H new ATOM 0 HA HIS A 43 80.004 -7.657 -2.245 1.00 0.00 H new ATOM 0 HB2 HIS A 43 82.639 -8.291 -3.546 1.00 0.00 H new ATOM 0 HB3 HIS A 43 82.041 -8.752 -1.965 1.00 0.00 H new ATOM 0 HD2 HIS A 43 79.427 -10.526 -2.685 1.00 0.00 H new ATOM 0 HE1 HIS A 43 81.875 -12.602 -5.425 1.00 0.00 H new ATOM 0 HE2 HIS A 43 79.666 -12.715 -4.131 1.00 0.00 H new ATOM 699 N LEU A 44 81.480 -5.539 -2.267 1.00 0.00 N ATOM 700 CA LEU A 44 81.940 -4.121 -2.388 1.00 0.00 C ATOM 701 C LEU A 44 83.308 -4.005 -3.072 1.00 0.00 C ATOM 702 O LEU A 44 83.844 -2.922 -3.200 1.00 0.00 O ATOM 703 CB LEU A 44 82.005 -3.598 -0.953 1.00 0.00 C ATOM 704 CG LEU A 44 82.885 -4.510 -0.100 1.00 0.00 C ATOM 705 CD1 LEU A 44 84.268 -3.884 0.056 1.00 0.00 C ATOM 706 CD2 LEU A 44 82.242 -4.669 1.278 1.00 0.00 C ATOM 0 H LEU A 44 81.473 -5.914 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 44 81.258 -3.544 -3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 44 82.404 -2.584 -0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 44 81.002 -3.549 -0.530 1.00 0.00 H new ATOM 0 HG LEU A 44 82.982 -5.484 -0.580 1.00 0.00 H new ATOM 0 HD11 LEU A 44 84.896 -4.535 0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 44 84.723 -3.757 -0.926 1.00 0.00 H new ATOM 0 HD13 LEU A 44 84.175 -2.912 0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 44 82.862 -5.319 1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 44 82.154 -3.692 1.753 1.00 0.00 H new ATOM 0 HD23 LEU A 44 81.251 -5.110 1.168 1.00 0.00 H new ATOM 718 N LYS A 45 83.881 -5.087 -3.521 1.00 0.00 N ATOM 719 CA LYS A 45 85.211 -4.975 -4.191 1.00 0.00 C ATOM 720 C LYS A 45 85.126 -4.077 -5.427 1.00 0.00 C ATOM 721 O LYS A 45 86.061 -3.388 -5.757 1.00 0.00 O ATOM 722 CB LYS A 45 85.597 -6.396 -4.609 1.00 0.00 C ATOM 723 CG LYS A 45 84.470 -7.015 -5.441 1.00 0.00 C ATOM 724 CD LYS A 45 85.032 -8.076 -6.391 1.00 0.00 C ATOM 725 CE LYS A 45 86.139 -8.870 -5.696 1.00 0.00 C ATOM 726 NZ LYS A 45 86.095 -10.219 -6.327 1.00 0.00 N ATOM 0 H LYS A 45 83.496 -6.029 -3.456 1.00 0.00 H new ATOM 0 HA LYS A 45 85.948 -4.533 -3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 45 86.520 -6.377 -5.188 1.00 0.00 H new ATOM 0 HB3 LYS A 45 85.787 -7.006 -3.726 1.00 0.00 H new ATOM 0 HG2 LYS A 45 83.727 -7.464 -4.782 1.00 0.00 H new ATOM 0 HG3 LYS A 45 83.962 -6.238 -6.012 1.00 0.00 H new ATOM 0 HD2 LYS A 45 84.236 -8.749 -6.709 1.00 0.00 H new ATOM 0 HD3 LYS A 45 85.425 -7.600 -7.289 1.00 0.00 H new ATOM 0 HE2 LYS A 45 87.112 -8.399 -5.837 1.00 0.00 H new ATOM 0 HE3 LYS A 45 85.967 -8.930 -4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 86.827 -10.825 -5.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 85.159 -10.645 -6.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 86.268 -10.130 -7.349 1.00 0.00 H new ATOM 740 N LYS A 46 84.029 -4.076 -6.126 1.00 0.00 N ATOM 741 CA LYS A 46 83.950 -3.222 -7.340 1.00 0.00 C ATOM 742 C LYS A 46 84.128 -1.745 -6.962 1.00 0.00 C ATOM 743 O LYS A 46 84.804 -0.999 -7.643 1.00 0.00 O ATOM 744 CB LYS A 46 82.560 -3.495 -7.919 1.00 0.00 C ATOM 745 CG LYS A 46 82.516 -4.929 -8.459 1.00 0.00 C ATOM 746 CD LYS A 46 81.593 -5.001 -9.677 1.00 0.00 C ATOM 747 CE LYS A 46 81.480 -6.457 -10.144 1.00 0.00 C ATOM 748 NZ LYS A 46 81.434 -6.394 -11.632 1.00 0.00 N ATOM 0 H LYS A 46 83.194 -4.622 -5.914 1.00 0.00 H new ATOM 0 HA LYS A 46 84.733 -3.444 -8.065 1.00 0.00 H new ATOM 0 HB2 LYS A 46 81.799 -3.359 -7.151 1.00 0.00 H new ATOM 0 HB3 LYS A 46 82.339 -2.786 -8.716 1.00 0.00 H new ATOM 0 HG2 LYS A 46 83.520 -5.254 -8.733 1.00 0.00 H new ATOM 0 HG3 LYS A 46 82.162 -5.608 -7.683 1.00 0.00 H new ATOM 0 HD2 LYS A 46 80.607 -4.611 -9.424 1.00 0.00 H new ATOM 0 HD3 LYS A 46 81.985 -4.379 -10.482 1.00 0.00 H new ATOM 0 HE2 LYS A 46 82.331 -7.046 -9.802 1.00 0.00 H new ATOM 0 HE3 LYS A 46 80.583 -6.930 -9.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 81.357 -7.357 -12.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 80.610 -5.834 -11.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 82.303 -5.947 -11.988 1.00 0.00 H new ATOM 762 N LEU A 47 83.541 -1.319 -5.874 1.00 0.00 N ATOM 763 CA LEU A 47 83.691 0.105 -5.451 1.00 0.00 C ATOM 764 C LEU A 47 85.117 0.378 -4.972 1.00 0.00 C ATOM 765 O LEU A 47 85.797 1.257 -5.470 1.00 0.00 O ATOM 766 CB LEU A 47 82.691 0.262 -4.296 1.00 0.00 C ATOM 767 CG LEU A 47 82.847 1.626 -3.604 1.00 0.00 C ATOM 768 CD1 LEU A 47 83.985 1.557 -2.586 1.00 0.00 C ATOM 769 CD2 LEU A 47 83.157 2.717 -4.626 1.00 0.00 C ATOM 0 H LEU A 47 82.965 -1.895 -5.261 1.00 0.00 H new ATOM 0 HA LEU A 47 83.503 0.805 -6.265 1.00 0.00 H new ATOM 0 HB2 LEU A 47 81.674 0.158 -4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 47 82.843 -0.536 -3.570 1.00 0.00 H new ATOM 0 HG LEU A 47 81.910 1.867 -3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 47 84.094 2.525 -2.096 1.00 0.00 H new ATOM 0 HD12 LEU A 47 83.759 0.796 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 47 84.914 1.301 -3.096 1.00 0.00 H new ATOM 0 HD21 LEU A 47 83.264 3.674 -4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 47 84.085 2.477 -5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 47 82.344 2.780 -5.349 1.00 0.00 H new ATOM 781 N LYS A 48 85.578 -0.363 -4.004 1.00 0.00 N ATOM 782 CA LYS A 48 86.952 -0.123 -3.498 1.00 0.00 C ATOM 783 C LYS A 48 88.029 -0.605 -4.480 1.00 0.00 C ATOM 784 O LYS A 48 89.059 0.005 -4.574 1.00 0.00 O ATOM 785 CB LYS A 48 87.056 -0.855 -2.156 1.00 0.00 C ATOM 786 CG LYS A 48 86.784 -2.347 -2.324 1.00 0.00 C ATOM 787 CD LYS A 48 87.928 -3.131 -1.681 1.00 0.00 C ATOM 788 CE LYS A 48 87.418 -4.499 -1.224 1.00 0.00 C ATOM 789 NZ LYS A 48 88.591 -5.156 -0.581 1.00 0.00 N ATOM 0 H LYS A 48 85.066 -1.117 -3.546 1.00 0.00 H new ATOM 0 HA LYS A 48 87.128 0.946 -3.380 1.00 0.00 H new ATOM 0 HB2 LYS A 48 88.050 -0.708 -1.734 1.00 0.00 H new ATOM 0 HB3 LYS A 48 86.344 -0.429 -1.449 1.00 0.00 H new ATOM 0 HG2 LYS A 48 85.835 -2.613 -1.858 1.00 0.00 H new ATOM 0 HG3 LYS A 48 86.701 -2.599 -3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 48 88.743 -3.255 -2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 48 88.329 -2.578 -0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 48 86.590 -4.397 -0.523 1.00 0.00 H new ATOM 0 HE3 LYS A 48 87.051 -5.085 -2.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 88.403 -6.173 -0.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 89.433 -5.021 -1.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 88.756 -4.733 0.354 1.00 0.00 H new ATOM 803 N GLU A 49 87.832 -1.683 -5.208 1.00 0.00 N ATOM 804 CA GLU A 49 88.929 -2.136 -6.134 1.00 0.00 C ATOM 805 C GLU A 49 89.248 -1.044 -7.154 1.00 0.00 C ATOM 806 O GLU A 49 90.398 -0.688 -7.346 1.00 0.00 O ATOM 807 CB GLU A 49 88.432 -3.406 -6.841 1.00 0.00 C ATOM 808 CG GLU A 49 87.451 -3.043 -7.959 1.00 0.00 C ATOM 809 CD GLU A 49 86.968 -4.321 -8.649 1.00 0.00 C ATOM 810 OE1 GLU A 49 86.965 -5.355 -8.004 1.00 0.00 O ATOM 811 OE2 GLU A 49 86.604 -4.241 -9.812 1.00 0.00 O ATOM 0 H GLU A 49 86.987 -2.255 -5.205 1.00 0.00 H new ATOM 0 HA GLU A 49 89.844 -2.341 -5.578 1.00 0.00 H new ATOM 0 HB2 GLU A 49 89.278 -3.955 -7.254 1.00 0.00 H new ATOM 0 HB3 GLU A 49 87.946 -4.065 -6.121 1.00 0.00 H new ATOM 0 HG2 GLU A 49 86.602 -2.495 -7.549 1.00 0.00 H new ATOM 0 HG3 GLU A 49 87.934 -2.387 -8.683 1.00 0.00 H new ATOM 818 N SER A 50 88.255 -0.473 -7.779 1.00 0.00 N ATOM 819 CA SER A 50 88.544 0.629 -8.734 1.00 0.00 C ATOM 820 C SER A 50 89.211 1.735 -7.938 1.00 0.00 C ATOM 821 O SER A 50 90.151 2.368 -8.371 1.00 0.00 O ATOM 822 CB SER A 50 87.180 1.068 -9.267 1.00 0.00 C ATOM 823 OG SER A 50 86.629 0.024 -10.057 1.00 0.00 O ATOM 0 H SER A 50 87.271 -0.718 -7.671 1.00 0.00 H new ATOM 0 HA SER A 50 89.198 0.351 -9.561 1.00 0.00 H new ATOM 0 HB2 SER A 50 86.512 1.305 -8.439 1.00 0.00 H new ATOM 0 HB3 SER A 50 87.284 1.975 -9.863 1.00 0.00 H new ATOM 0 HG SER A 50 85.977 -0.479 -9.526 1.00 0.00 H new ATOM 829 N TYR A 51 88.725 1.942 -6.751 1.00 0.00 N ATOM 830 CA TYR A 51 89.303 2.974 -5.858 1.00 0.00 C ATOM 831 C TYR A 51 90.665 2.505 -5.304 1.00 0.00 C ATOM 832 O TYR A 51 91.456 3.299 -4.839 1.00 0.00 O ATOM 833 CB TYR A 51 88.270 3.105 -4.737 1.00 0.00 C ATOM 834 CG TYR A 51 88.759 4.078 -3.702 1.00 0.00 C ATOM 835 CD1 TYR A 51 88.760 5.448 -3.978 1.00 0.00 C ATOM 836 CD2 TYR A 51 89.206 3.610 -2.464 1.00 0.00 C ATOM 837 CE1 TYR A 51 89.212 6.354 -3.014 1.00 0.00 C ATOM 838 CE2 TYR A 51 89.659 4.513 -1.498 1.00 0.00 C ATOM 839 CZ TYR A 51 89.663 5.888 -1.772 1.00 0.00 C ATOM 840 OH TYR A 51 90.110 6.783 -0.822 1.00 0.00 O ATOM 0 H TYR A 51 87.937 1.429 -6.356 1.00 0.00 H new ATOM 0 HA TYR A 51 89.492 3.921 -6.364 1.00 0.00 H new ATOM 0 HB2 TYR A 51 87.318 3.443 -5.146 1.00 0.00 H new ATOM 0 HB3 TYR A 51 88.092 2.132 -4.279 1.00 0.00 H new ATOM 0 HD1 TYR A 51 88.412 5.807 -4.935 1.00 0.00 H new ATOM 0 HD2 TYR A 51 89.202 2.551 -2.253 1.00 0.00 H new ATOM 0 HE1 TYR A 51 89.214 7.413 -3.227 1.00 0.00 H new ATOM 0 HE2 TYR A 51 90.006 4.152 -0.541 1.00 0.00 H new ATOM 0 HH TYR A 51 90.386 6.296 -0.018 1.00 0.00 H new ATOM 850 N CYS A 52 90.922 1.213 -5.327 1.00 0.00 N ATOM 851 CA CYS A 52 92.211 0.669 -4.778 1.00 0.00 C ATOM 852 C CYS A 52 93.386 0.917 -5.719 1.00 0.00 C ATOM 853 O CYS A 52 94.260 1.703 -5.438 1.00 0.00 O ATOM 854 CB CYS A 52 92.010 -0.849 -4.663 1.00 0.00 C ATOM 855 SG CYS A 52 90.968 -1.257 -3.241 1.00 0.00 S ATOM 0 H CYS A 52 90.289 0.508 -5.705 1.00 0.00 H new ATOM 0 HA CYS A 52 92.439 1.154 -3.829 1.00 0.00 H new ATOM 0 HB2 CYS A 52 91.551 -1.229 -5.576 1.00 0.00 H new ATOM 0 HB3 CYS A 52 92.977 -1.341 -4.563 1.00 0.00 H new ATOM 0 HG CYS A 52 89.937 -0.465 -3.217 1.00 0.00 H new ATOM 861 N GLN A 53 93.424 0.207 -6.813 1.00 0.00 N ATOM 862 CA GLN A 53 94.564 0.338 -7.768 1.00 0.00 C ATOM 863 C GLN A 53 94.722 1.770 -8.285 1.00 0.00 C ATOM 864 O GLN A 53 95.821 2.285 -8.341 1.00 0.00 O ATOM 865 CB GLN A 53 94.206 -0.607 -8.917 1.00 0.00 C ATOM 866 CG GLN A 53 94.357 -2.054 -8.445 1.00 0.00 C ATOM 867 CD GLN A 53 94.252 -2.999 -9.642 1.00 0.00 C ATOM 868 OE1 GLN A 53 94.837 -2.754 -10.678 1.00 0.00 O ATOM 869 NE2 GLN A 53 93.533 -4.082 -9.537 1.00 0.00 N ATOM 0 H GLN A 53 92.708 -0.465 -7.090 1.00 0.00 H new ATOM 0 HA GLN A 53 95.513 0.094 -7.291 1.00 0.00 H new ATOM 0 HB2 GLN A 53 93.184 -0.425 -9.248 1.00 0.00 H new ATOM 0 HB3 GLN A 53 94.856 -0.421 -9.772 1.00 0.00 H new ATOM 0 HG2 GLN A 53 95.318 -2.186 -7.948 1.00 0.00 H new ATOM 0 HG3 GLN A 53 93.584 -2.291 -7.713 1.00 0.00 H new ATOM 0 HE21 GLN A 53 93.042 -4.286 -8.666 1.00 0.00 H new ATOM 0 HE22 GLN A 53 93.461 -4.725 -10.326 1.00 0.00 H new ATOM 878 N ARG A 54 93.664 2.431 -8.658 1.00 0.00 N ATOM 879 CA ARG A 54 93.835 3.824 -9.155 1.00 0.00 C ATOM 880 C ARG A 54 94.443 4.671 -8.033 1.00 0.00 C ATOM 881 O ARG A 54 95.296 5.507 -8.257 1.00 0.00 O ATOM 882 CB ARG A 54 92.431 4.308 -9.523 1.00 0.00 C ATOM 883 CG ARG A 54 91.663 4.680 -8.258 1.00 0.00 C ATOM 884 CD ARG A 54 90.224 5.054 -8.627 1.00 0.00 C ATOM 885 NE ARG A 54 90.336 6.250 -9.514 1.00 0.00 N ATOM 886 CZ ARG A 54 89.354 6.551 -10.325 1.00 0.00 C ATOM 887 NH1 ARG A 54 88.712 5.601 -10.951 1.00 0.00 N ATOM 888 NH2 ARG A 54 89.012 7.799 -10.510 1.00 0.00 N ATOM 0 H ARG A 54 92.707 2.078 -8.642 1.00 0.00 H new ATOM 0 HA ARG A 54 94.498 3.893 -10.017 1.00 0.00 H new ATOM 0 HB2 ARG A 54 92.496 5.170 -10.186 1.00 0.00 H new ATOM 0 HB3 ARG A 54 91.898 3.527 -10.066 1.00 0.00 H new ATOM 0 HG2 ARG A 54 91.665 3.844 -7.559 1.00 0.00 H new ATOM 0 HG3 ARG A 54 92.150 5.516 -7.756 1.00 0.00 H new ATOM 0 HD2 ARG A 54 89.724 4.232 -9.139 1.00 0.00 H new ATOM 0 HD3 ARG A 54 89.637 5.280 -7.737 1.00 0.00 H new ATOM 0 HE ARG A 54 91.175 6.830 -9.488 1.00 0.00 H new ATOM 0 HH11 ARG A 54 88.976 4.626 -10.807 1.00 0.00 H new ATOM 0 HH12 ARG A 54 87.946 5.834 -11.583 1.00 0.00 H new ATOM 0 HH21 ARG A 54 89.511 8.542 -10.021 1.00 0.00 H new ATOM 0 HH22 ARG A 54 88.246 8.029 -11.143 1.00 0.00 H new ATOM 902 N GLN A 55 94.024 4.432 -6.818 1.00 0.00 N ATOM 903 CA GLN A 55 94.590 5.185 -5.661 1.00 0.00 C ATOM 904 C GLN A 55 95.863 4.486 -5.187 1.00 0.00 C ATOM 905 O GLN A 55 96.651 5.028 -4.441 1.00 0.00 O ATOM 906 CB GLN A 55 93.532 5.088 -4.558 1.00 0.00 C ATOM 907 CG GLN A 55 92.242 5.771 -5.004 1.00 0.00 C ATOM 908 CD GLN A 55 92.532 7.222 -5.372 1.00 0.00 C ATOM 909 OE1 GLN A 55 93.587 7.741 -5.064 1.00 0.00 O ATOM 910 NE2 GLN A 55 91.629 7.903 -6.016 1.00 0.00 N ATOM 0 H GLN A 55 93.311 3.744 -6.577 1.00 0.00 H new ATOM 0 HA GLN A 55 94.828 6.217 -5.918 1.00 0.00 H new ATOM 0 HB2 GLN A 55 93.336 4.042 -4.323 1.00 0.00 H new ATOM 0 HB3 GLN A 55 93.903 5.555 -3.646 1.00 0.00 H new ATOM 0 HG2 GLN A 55 91.818 5.246 -5.860 1.00 0.00 H new ATOM 0 HG3 GLN A 55 91.501 5.729 -4.205 1.00 0.00 H new ATOM 0 HE21 GLN A 55 90.745 7.463 -6.272 1.00 0.00 H new ATOM 0 HE22 GLN A 55 91.805 8.876 -6.264 1.00 0.00 H new ATOM 919 N GLY A 56 96.029 3.257 -5.585 1.00 0.00 N ATOM 920 CA GLY A 56 97.199 2.464 -5.134 1.00 0.00 C ATOM 921 C GLY A 56 96.654 1.316 -4.281 1.00 0.00 C ATOM 922 O GLY A 56 96.108 1.539 -3.217 1.00 0.00 O ATOM 0 H GLY A 56 95.394 2.764 -6.212 1.00 0.00 H new ATOM 0 HA2 GLY A 56 97.758 2.080 -5.988 1.00 0.00 H new ATOM 0 HA3 GLY A 56 97.886 3.083 -4.556 1.00 0.00 H new ATOM 926 N VAL A 57 96.770 0.100 -4.751 1.00 0.00 N ATOM 927 CA VAL A 57 96.238 -1.072 -3.980 1.00 0.00 C ATOM 928 C VAL A 57 96.370 -0.854 -2.476 1.00 0.00 C ATOM 929 O VAL A 57 97.406 -1.110 -1.907 1.00 0.00 O ATOM 930 CB VAL A 57 97.071 -2.276 -4.420 1.00 0.00 C ATOM 931 CG1 VAL A 57 96.504 -2.836 -5.715 1.00 0.00 C ATOM 932 CG2 VAL A 57 98.517 -1.842 -4.658 1.00 0.00 C ATOM 0 H VAL A 57 97.212 -0.136 -5.640 1.00 0.00 H new ATOM 0 HA VAL A 57 95.176 -1.219 -4.178 1.00 0.00 H new ATOM 0 HB VAL A 57 97.040 -3.038 -3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 57 97.097 -3.695 -6.030 1.00 0.00 H new ATOM 0 HG12 VAL A 57 95.471 -3.147 -5.556 1.00 0.00 H new ATOM 0 HG13 VAL A 57 96.537 -2.069 -6.488 1.00 0.00 H new ATOM 0 HG21 VAL A 57 99.108 -2.702 -4.971 1.00 0.00 H new ATOM 0 HG22 VAL A 57 98.545 -1.080 -5.437 1.00 0.00 H new ATOM 0 HG23 VAL A 57 98.931 -1.434 -3.736 1.00 0.00 H new ATOM 942 N PRO A 58 95.305 -0.390 -1.875 1.00 0.00 N ATOM 943 CA PRO A 58 95.306 -0.143 -0.426 1.00 0.00 C ATOM 944 C PRO A 58 95.545 -1.458 0.319 1.00 0.00 C ATOM 945 O PRO A 58 95.867 -1.481 1.488 1.00 0.00 O ATOM 946 CB PRO A 58 93.889 0.387 -0.172 1.00 0.00 C ATOM 947 CG PRO A 58 93.129 0.426 -1.500 1.00 0.00 C ATOM 948 CD PRO A 58 94.047 -0.107 -2.602 1.00 0.00 C ATOM 0 HA PRO A 58 96.081 0.545 -0.090 1.00 0.00 H new ATOM 0 HB2 PRO A 58 93.369 -0.253 0.541 1.00 0.00 H new ATOM 0 HB3 PRO A 58 93.932 1.384 0.267 1.00 0.00 H new ATOM 0 HG2 PRO A 58 92.224 -0.178 -1.436 1.00 0.00 H new ATOM 0 HG3 PRO A 58 92.817 1.445 -1.728 1.00 0.00 H new ATOM 0 HD2 PRO A 58 93.640 -1.004 -3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 58 94.195 0.626 -3.395 1.00 0.00 H new ATOM 956 N MET A 59 95.366 -2.557 -0.359 1.00 0.00 N ATOM 957 CA MET A 59 95.550 -3.886 0.290 1.00 0.00 C ATOM 958 C MET A 59 96.953 -4.040 0.878 1.00 0.00 C ATOM 959 O MET A 59 97.125 -4.614 1.936 1.00 0.00 O ATOM 960 CB MET A 59 95.333 -4.913 -0.825 1.00 0.00 C ATOM 961 CG MET A 59 95.458 -6.316 -0.235 1.00 0.00 C ATOM 962 SD MET A 59 94.747 -7.524 -1.376 1.00 0.00 S ATOM 963 CE MET A 59 94.558 -8.866 -0.179 1.00 0.00 C ATOM 0 H MET A 59 95.098 -2.592 -1.343 1.00 0.00 H new ATOM 0 HA MET A 59 94.855 -4.014 1.120 1.00 0.00 H new ATOM 0 HB2 MET A 59 94.349 -4.779 -1.275 1.00 0.00 H new ATOM 0 HB3 MET A 59 96.068 -4.770 -1.617 1.00 0.00 H new ATOM 0 HG2 MET A 59 96.506 -6.550 -0.049 1.00 0.00 H new ATOM 0 HG3 MET A 59 94.945 -6.364 0.726 1.00 0.00 H new ATOM 0 HE1 MET A 59 94.126 -9.736 -0.673 1.00 0.00 H new ATOM 0 HE2 MET A 59 95.534 -9.128 0.230 1.00 0.00 H new ATOM 0 HE3 MET A 59 93.901 -8.543 0.628 1.00 0.00 H new ATOM 973 N ASN A 60 97.960 -3.574 0.200 1.00 0.00 N ATOM 974 CA ASN A 60 99.341 -3.746 0.734 1.00 0.00 C ATOM 975 C ASN A 60 99.649 -2.766 1.877 1.00 0.00 C ATOM 976 O ASN A 60 100.427 -3.072 2.757 1.00 0.00 O ATOM 977 CB ASN A 60 100.270 -3.488 -0.460 1.00 0.00 C ATOM 978 CG ASN A 60 100.549 -1.989 -0.602 1.00 0.00 C ATOM 979 OD1 ASN A 60 101.645 -1.537 -0.336 1.00 0.00 O ATOM 980 ND2 ASN A 60 99.602 -1.193 -1.000 1.00 0.00 N ATOM 0 H ASN A 60 97.891 -3.085 -0.693 1.00 0.00 H new ATOM 0 HA ASN A 60 99.471 -4.742 1.158 1.00 0.00 H new ATOM 0 HB2 ASN A 60 101.207 -4.028 -0.324 1.00 0.00 H new ATOM 0 HB3 ASN A 60 99.813 -3.868 -1.374 1.00 0.00 H new ATOM 0 HD21 ASN A 60 99.780 -0.193 -1.088 1.00 0.00 H new ATOM 0 HD22 ASN A 60 98.681 -1.569 -1.224 1.00 0.00 H new ATOM 987 N SER A 61 99.097 -1.578 1.863 1.00 0.00 N ATOM 988 CA SER A 61 99.453 -0.618 2.959 1.00 0.00 C ATOM 989 C SER A 61 98.224 0.046 3.616 1.00 0.00 C ATOM 990 O SER A 61 98.351 0.737 4.610 1.00 0.00 O ATOM 991 CB SER A 61 100.314 0.434 2.261 1.00 0.00 C ATOM 992 OG SER A 61 101.485 -0.188 1.741 1.00 0.00 O ATOM 0 H SER A 61 98.436 -1.236 1.165 1.00 0.00 H new ATOM 0 HA SER A 61 99.958 -1.132 3.777 1.00 0.00 H new ATOM 0 HB2 SER A 61 99.751 0.906 1.456 1.00 0.00 H new ATOM 0 HB3 SER A 61 100.587 1.221 2.963 1.00 0.00 H new ATOM 0 HG SER A 61 101.404 -0.276 0.768 1.00 0.00 H new ATOM 998 N LEU A 62 97.051 -0.145 3.081 1.00 0.00 N ATOM 999 CA LEU A 62 95.834 0.499 3.677 1.00 0.00 C ATOM 1000 C LEU A 62 94.856 -0.571 4.170 1.00 0.00 C ATOM 1001 O LEU A 62 94.859 -1.691 3.703 1.00 0.00 O ATOM 1002 CB LEU A 62 95.197 1.273 2.524 1.00 0.00 C ATOM 1003 CG LEU A 62 96.104 2.423 2.075 1.00 0.00 C ATOM 1004 CD1 LEU A 62 97.341 1.870 1.355 1.00 0.00 C ATOM 1005 CD2 LEU A 62 95.325 3.335 1.119 1.00 0.00 C ATOM 0 H LEU A 62 96.876 -0.719 2.256 1.00 0.00 H new ATOM 0 HA LEU A 62 96.084 1.135 4.526 1.00 0.00 H new ATOM 0 HB2 LEU A 62 95.013 0.600 1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 62 94.229 1.667 2.835 1.00 0.00 H new ATOM 0 HG LEU A 62 96.425 2.988 2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 62 97.979 2.696 1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 62 97.896 1.221 2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 62 97.028 1.300 0.480 1.00 0.00 H new ATOM 0 HD21 LEU A 62 95.966 4.156 0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 62 95.004 2.761 0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 62 94.451 3.737 1.631 1.00 0.00 H new ATOM 1017 N ARG A 63 94.017 -0.233 5.107 1.00 0.00 N ATOM 1018 CA ARG A 63 93.033 -1.230 5.623 1.00 0.00 C ATOM 1019 C ARG A 63 91.614 -0.701 5.430 1.00 0.00 C ATOM 1020 O ARG A 63 91.376 0.472 5.570 1.00 0.00 O ATOM 1021 CB ARG A 63 93.358 -1.369 7.110 1.00 0.00 C ATOM 1022 CG ARG A 63 92.475 -2.446 7.735 1.00 0.00 C ATOM 1023 CD ARG A 63 92.366 -2.188 9.237 1.00 0.00 C ATOM 1024 NE ARG A 63 93.753 -2.329 9.758 1.00 0.00 N ATOM 1025 CZ ARG A 63 94.024 -1.991 10.990 1.00 0.00 C ATOM 1026 NH1 ARG A 63 93.420 -0.973 11.540 1.00 0.00 N ATOM 1027 NH2 ARG A 63 94.892 -2.675 11.678 1.00 0.00 N ATOM 0 H ARG A 63 93.968 0.689 5.539 1.00 0.00 H new ATOM 0 HA ARG A 63 93.093 -2.187 5.104 1.00 0.00 H new ATOM 0 HB2 ARG A 63 94.409 -1.628 7.239 1.00 0.00 H new ATOM 0 HB3 ARG A 63 93.200 -0.417 7.617 1.00 0.00 H new ATOM 0 HG2 ARG A 63 91.486 -2.434 7.278 1.00 0.00 H new ATOM 0 HG3 ARG A 63 92.899 -3.433 7.552 1.00 0.00 H new ATOM 0 HD2 ARG A 63 91.969 -1.193 9.438 1.00 0.00 H new ATOM 0 HD3 ARG A 63 91.693 -2.902 9.711 1.00 0.00 H new ATOM 0 HE ARG A 63 94.491 -2.689 9.153 1.00 0.00 H new ATOM 0 HH11 ARG A 63 92.734 -0.439 11.007 1.00 0.00 H new ATOM 0 HH12 ARG A 63 93.634 -0.712 12.502 1.00 0.00 H new ATOM 0 HH21 ARG A 63 95.361 -3.476 11.255 1.00 0.00 H new ATOM 0 HH22 ARG A 63 95.103 -2.410 12.640 1.00 0.00 H new ATOM 1041 N PHE A 64 90.663 -1.540 5.102 1.00 0.00 N ATOM 1042 CA PHE A 64 89.280 -1.014 4.906 1.00 0.00 C ATOM 1043 C PHE A 64 88.327 -1.379 6.044 1.00 0.00 C ATOM 1044 O PHE A 64 88.080 -2.536 6.346 1.00 0.00 O ATOM 1045 CB PHE A 64 88.749 -1.611 3.601 1.00 0.00 C ATOM 1046 CG PHE A 64 89.370 -0.928 2.411 1.00 0.00 C ATOM 1047 CD1 PHE A 64 88.843 0.292 1.974 1.00 0.00 C ATOM 1048 CD2 PHE A 64 90.448 -1.507 1.736 1.00 0.00 C ATOM 1049 CE1 PHE A 64 89.393 0.937 0.865 1.00 0.00 C ATOM 1050 CE2 PHE A 64 91.000 -0.862 0.621 1.00 0.00 C ATOM 1051 CZ PHE A 64 90.472 0.361 0.186 1.00 0.00 C ATOM 0 H PHE A 64 90.780 -2.544 4.964 1.00 0.00 H new ATOM 0 HA PHE A 64 89.329 0.075 4.881 1.00 0.00 H new ATOM 0 HB2 PHE A 64 88.967 -2.678 3.569 1.00 0.00 H new ATOM 0 HB3 PHE A 64 87.665 -1.506 3.562 1.00 0.00 H new ATOM 0 HD1 PHE A 64 88.008 0.736 2.496 1.00 0.00 H new ATOM 0 HD2 PHE A 64 90.855 -2.449 2.073 1.00 0.00 H new ATOM 0 HE1 PHE A 64 88.986 1.880 0.531 1.00 0.00 H new ATOM 0 HE2 PHE A 64 91.833 -1.308 0.097 1.00 0.00 H new ATOM 0 HZ PHE A 64 90.898 0.859 -0.673 1.00 0.00 H new ATOM 1061 N LEU A 65 87.733 -0.367 6.614 1.00 0.00 N ATOM 1062 CA LEU A 65 86.714 -0.557 7.678 1.00 0.00 C ATOM 1063 C LEU A 65 85.361 -0.281 7.026 1.00 0.00 C ATOM 1064 O LEU A 65 85.228 0.647 6.255 1.00 0.00 O ATOM 1065 CB LEU A 65 87.043 0.484 8.751 1.00 0.00 C ATOM 1066 CG LEU A 65 86.028 0.380 9.885 1.00 0.00 C ATOM 1067 CD1 LEU A 65 85.997 -1.057 10.395 1.00 0.00 C ATOM 1068 CD2 LEU A 65 86.439 1.314 11.026 1.00 0.00 C ATOM 0 H LEU A 65 87.918 0.608 6.378 1.00 0.00 H new ATOM 0 HA LEU A 65 86.699 -1.552 8.123 1.00 0.00 H new ATOM 0 HB2 LEU A 65 88.051 0.322 9.134 1.00 0.00 H new ATOM 0 HB3 LEU A 65 87.023 1.485 8.321 1.00 0.00 H new ATOM 0 HG LEU A 65 85.041 0.665 9.521 1.00 0.00 H new ATOM 0 HD11 LEU A 65 85.274 -1.140 11.206 1.00 0.00 H new ATOM 0 HD12 LEU A 65 85.710 -1.725 9.583 1.00 0.00 H new ATOM 0 HD13 LEU A 65 86.986 -1.335 10.761 1.00 0.00 H new ATOM 0 HD21 LEU A 65 85.714 1.240 11.836 1.00 0.00 H new ATOM 0 HD22 LEU A 65 87.424 1.028 11.394 1.00 0.00 H new ATOM 0 HD23 LEU A 65 86.472 2.341 10.662 1.00 0.00 H new ATOM 1080 N PHE A 66 84.370 -1.086 7.262 1.00 0.00 N ATOM 1081 CA PHE A 66 83.075 -0.830 6.559 1.00 0.00 C ATOM 1082 C PHE A 66 81.903 -0.746 7.553 1.00 0.00 C ATOM 1083 O PHE A 66 81.491 0.329 7.943 1.00 0.00 O ATOM 1084 CB PHE A 66 82.958 -2.024 5.603 1.00 0.00 C ATOM 1085 CG PHE A 66 82.137 -1.679 4.390 1.00 0.00 C ATOM 1086 CD1 PHE A 66 80.749 -1.828 4.411 1.00 0.00 C ATOM 1087 CD2 PHE A 66 82.781 -1.254 3.224 1.00 0.00 C ATOM 1088 CE1 PHE A 66 80.002 -1.552 3.262 1.00 0.00 C ATOM 1089 CE2 PHE A 66 82.037 -0.970 2.078 1.00 0.00 C ATOM 1090 CZ PHE A 66 80.648 -1.122 2.095 1.00 0.00 C ATOM 0 H PHE A 66 84.389 -1.889 7.891 1.00 0.00 H new ATOM 0 HA PHE A 66 83.045 0.124 6.033 1.00 0.00 H new ATOM 0 HB2 PHE A 66 83.953 -2.342 5.292 1.00 0.00 H new ATOM 0 HB3 PHE A 66 82.503 -2.866 6.124 1.00 0.00 H new ATOM 0 HD1 PHE A 66 80.253 -2.156 5.313 1.00 0.00 H new ATOM 0 HD2 PHE A 66 83.855 -1.145 3.210 1.00 0.00 H new ATOM 0 HE1 PHE A 66 78.929 -1.670 3.274 1.00 0.00 H new ATOM 0 HE2 PHE A 66 82.534 -0.633 1.180 1.00 0.00 H new ATOM 0 HZ PHE A 66 80.071 -0.908 1.207 1.00 0.00 H new ATOM 1100 N GLU A 67 81.363 -1.856 7.971 1.00 0.00 N ATOM 1101 CA GLU A 67 80.227 -1.822 8.938 1.00 0.00 C ATOM 1102 C GLU A 67 80.712 -1.359 10.315 1.00 0.00 C ATOM 1103 O GLU A 67 79.929 -1.016 11.177 1.00 0.00 O ATOM 1104 CB GLU A 67 79.717 -3.263 9.000 1.00 0.00 C ATOM 1105 CG GLU A 67 80.840 -4.187 9.472 1.00 0.00 C ATOM 1106 CD GLU A 67 80.287 -5.597 9.683 1.00 0.00 C ATOM 1107 OE1 GLU A 67 79.097 -5.779 9.491 1.00 0.00 O ATOM 1108 OE2 GLU A 67 81.065 -6.471 10.029 1.00 0.00 O ATOM 0 H GLU A 67 81.659 -2.789 7.685 1.00 0.00 H new ATOM 0 HA GLU A 67 79.445 -1.127 8.632 1.00 0.00 H new ATOM 0 HB2 GLU A 67 78.868 -3.330 9.680 1.00 0.00 H new ATOM 0 HB3 GLU A 67 79.364 -3.577 8.018 1.00 0.00 H new ATOM 0 HG2 GLU A 67 81.643 -4.207 8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 67 81.269 -3.810 10.401 1.00 0.00 H new ATOM 1115 N GLY A 68 81.997 -1.349 10.525 1.00 0.00 N ATOM 1116 CA GLY A 68 82.534 -0.910 11.843 1.00 0.00 C ATOM 1117 C GLY A 68 83.840 -1.652 12.125 1.00 0.00 C ATOM 1118 O GLY A 68 84.674 -1.194 12.880 1.00 0.00 O ATOM 0 H GLY A 68 82.701 -1.626 9.840 1.00 0.00 H new ATOM 0 HA2 GLY A 68 82.707 0.166 11.839 1.00 0.00 H new ATOM 0 HA3 GLY A 68 81.809 -1.113 12.631 1.00 0.00 H new ATOM 1122 N GLN A 69 84.002 -2.816 11.553 1.00 0.00 N ATOM 1123 CA GLN A 69 85.231 -3.615 11.799 1.00 0.00 C ATOM 1124 C GLN A 69 85.946 -3.854 10.469 1.00 0.00 C ATOM 1125 O GLN A 69 85.475 -3.431 9.424 1.00 0.00 O ATOM 1126 CB GLN A 69 84.717 -4.943 12.366 1.00 0.00 C ATOM 1127 CG GLN A 69 84.035 -5.750 11.261 1.00 0.00 C ATOM 1128 CD GLN A 69 83.617 -7.112 11.816 1.00 0.00 C ATOM 1129 OE1 GLN A 69 84.197 -8.124 11.479 1.00 0.00 O ATOM 1130 NE2 GLN A 69 82.618 -7.182 12.654 1.00 0.00 N ATOM 0 H GLN A 69 83.328 -3.248 10.921 1.00 0.00 H new ATOM 0 HA GLN A 69 85.934 -3.124 12.472 1.00 0.00 H new ATOM 0 HB2 GLN A 69 85.545 -5.514 12.787 1.00 0.00 H new ATOM 0 HB3 GLN A 69 84.014 -4.754 13.178 1.00 0.00 H new ATOM 0 HG2 GLN A 69 83.163 -5.213 10.888 1.00 0.00 H new ATOM 0 HG3 GLN A 69 84.714 -5.880 10.418 1.00 0.00 H new ATOM 0 HE21 GLN A 69 82.130 -6.332 12.938 1.00 0.00 H new ATOM 0 HE22 GLN A 69 82.326 -8.086 13.025 1.00 0.00 H new ATOM 1139 N ARG A 70 87.053 -4.542 10.475 1.00 0.00 N ATOM 1140 CA ARG A 70 87.727 -4.801 9.181 1.00 0.00 C ATOM 1141 C ARG A 70 86.830 -5.731 8.377 1.00 0.00 C ATOM 1142 O ARG A 70 86.338 -6.719 8.882 1.00 0.00 O ATOM 1143 CB ARG A 70 89.056 -5.463 9.537 1.00 0.00 C ATOM 1144 CG ARG A 70 89.904 -4.464 10.324 1.00 0.00 C ATOM 1145 CD ARG A 70 91.299 -5.044 10.572 1.00 0.00 C ATOM 1146 NE ARG A 70 91.082 -6.151 11.544 1.00 0.00 N ATOM 1147 CZ ARG A 70 92.076 -6.920 11.896 1.00 0.00 C ATOM 1148 NH1 ARG A 70 93.304 -6.521 11.714 1.00 0.00 N ATOM 1149 NH2 ARG A 70 91.846 -8.091 12.429 1.00 0.00 N ATOM 0 H ARG A 70 87.509 -4.927 11.302 1.00 0.00 H new ATOM 0 HA ARG A 70 87.906 -3.905 8.586 1.00 0.00 H new ATOM 0 HB2 ARG A 70 88.884 -6.362 10.129 1.00 0.00 H new ATOM 0 HB3 ARG A 70 89.579 -5.772 8.632 1.00 0.00 H new ATOM 0 HG2 ARG A 70 89.983 -3.527 9.772 1.00 0.00 H new ATOM 0 HG3 ARG A 70 89.422 -4.234 11.274 1.00 0.00 H new ATOM 0 HD2 ARG A 70 91.745 -5.411 9.648 1.00 0.00 H new ATOM 0 HD3 ARG A 70 91.975 -4.290 10.975 1.00 0.00 H new ATOM 0 HE ARG A 70 90.154 -6.309 11.936 1.00 0.00 H new ATOM 0 HH11 ARG A 70 93.487 -5.608 11.297 1.00 0.00 H new ATOM 0 HH12 ARG A 70 94.081 -7.121 11.989 1.00 0.00 H new ATOM 0 HH21 ARG A 70 90.887 -8.407 12.571 1.00 0.00 H new ATOM 0 HH22 ARG A 70 92.626 -8.689 12.703 1.00 0.00 H new ATOM 1163 N ILE A 71 86.552 -5.389 7.158 1.00 0.00 N ATOM 1164 CA ILE A 71 85.608 -6.229 6.366 1.00 0.00 C ATOM 1165 C ILE A 71 86.250 -6.874 5.132 1.00 0.00 C ATOM 1166 O ILE A 71 87.334 -6.521 4.709 1.00 0.00 O ATOM 1167 CB ILE A 71 84.563 -5.232 5.907 1.00 0.00 C ATOM 1168 CG1 ILE A 71 85.244 -4.220 4.982 1.00 0.00 C ATOM 1169 CG2 ILE A 71 83.992 -4.503 7.124 1.00 0.00 C ATOM 1170 CD1 ILE A 71 84.374 -3.991 3.748 1.00 0.00 C ATOM 0 H ILE A 71 86.930 -4.574 6.674 1.00 0.00 H new ATOM 0 HA ILE A 71 85.232 -7.059 6.964 1.00 0.00 H new ATOM 0 HB ILE A 71 83.755 -5.742 5.382 1.00 0.00 H new ATOM 0 HG12 ILE A 71 85.402 -3.279 5.509 1.00 0.00 H new ATOM 0 HG13 ILE A 71 86.226 -4.587 4.684 1.00 0.00 H new ATOM 0 HG21 ILE A 71 83.240 -3.785 6.798 1.00 0.00 H new ATOM 0 HG22 ILE A 71 83.535 -5.226 7.800 1.00 0.00 H new ATOM 0 HG23 ILE A 71 84.794 -3.978 7.643 1.00 0.00 H new ATOM 0 HD11 ILE A 71 84.859 -3.270 3.090 1.00 0.00 H new ATOM 0 HD12 ILE A 71 84.239 -4.934 3.218 1.00 0.00 H new ATOM 0 HD13 ILE A 71 83.402 -3.605 4.055 1.00 0.00 H new ATOM 1182 N ALA A 72 85.540 -7.800 4.537 1.00 0.00 N ATOM 1183 CA ALA A 72 86.032 -8.475 3.303 1.00 0.00 C ATOM 1184 C ALA A 72 85.213 -7.982 2.109 1.00 0.00 C ATOM 1185 O ALA A 72 84.346 -7.141 2.247 1.00 0.00 O ATOM 1186 CB ALA A 72 85.797 -9.967 3.533 1.00 0.00 C ATOM 0 H ALA A 72 84.627 -8.119 4.861 1.00 0.00 H new ATOM 0 HA ALA A 72 87.082 -8.268 3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 72 86.137 -10.527 2.662 1.00 0.00 H new ATOM 0 HB2 ALA A 72 86.353 -10.291 4.413 1.00 0.00 H new ATOM 0 HB3 ALA A 72 84.733 -10.148 3.689 1.00 0.00 H new ATOM 1192 N ASP A 73 85.474 -8.485 0.937 1.00 0.00 N ATOM 1193 CA ASP A 73 84.707 -8.028 -0.245 1.00 0.00 C ATOM 1194 C ASP A 73 83.938 -9.191 -0.872 1.00 0.00 C ATOM 1195 O ASP A 73 83.986 -9.394 -2.066 1.00 0.00 O ATOM 1196 CB ASP A 73 85.762 -7.486 -1.208 1.00 0.00 C ATOM 1197 CG ASP A 73 86.703 -8.612 -1.650 1.00 0.00 C ATOM 1198 OD1 ASP A 73 86.361 -9.764 -1.443 1.00 0.00 O ATOM 1199 OD2 ASP A 73 87.756 -8.300 -2.182 1.00 0.00 O ATOM 0 H ASP A 73 86.185 -9.192 0.750 1.00 0.00 H new ATOM 0 HA ASP A 73 83.963 -7.274 0.011 1.00 0.00 H new ATOM 0 HB2 ASP A 73 85.277 -7.044 -2.079 1.00 0.00 H new ATOM 0 HB3 ASP A 73 86.333 -6.693 -0.725 1.00 0.00 H new ATOM 1204 N ASN A 74 83.237 -9.969 -0.087 1.00 0.00 N ATOM 1205 CA ASN A 74 82.485 -11.110 -0.684 1.00 0.00 C ATOM 1206 C ASN A 74 81.036 -11.160 -0.183 1.00 0.00 C ATOM 1207 O ASN A 74 80.437 -12.218 -0.131 1.00 0.00 O ATOM 1208 CB ASN A 74 83.237 -12.359 -0.241 1.00 0.00 C ATOM 1209 CG ASN A 74 83.028 -12.583 1.265 1.00 0.00 C ATOM 1210 OD1 ASN A 74 81.913 -12.772 1.708 1.00 0.00 O ATOM 1211 ND2 ASN A 74 84.054 -12.575 2.078 1.00 0.00 N ATOM 0 H ASN A 74 83.154 -9.866 0.924 1.00 0.00 H new ATOM 0 HA ASN A 74 82.428 -11.017 -1.769 1.00 0.00 H new ATOM 0 HB2 ASN A 74 82.883 -13.225 -0.800 1.00 0.00 H new ATOM 0 HB3 ASN A 74 84.300 -12.252 -0.458 1.00 0.00 H new ATOM 0 HD21 ASN A 74 83.914 -12.727 3.077 1.00 0.00 H new ATOM 0 HD22 ASN A 74 84.993 -12.417 1.713 1.00 0.00 H new ATOM 1218 N HIS A 75 80.457 -10.047 0.185 1.00 0.00 N ATOM 1219 CA HIS A 75 79.041 -10.095 0.672 1.00 0.00 C ATOM 1220 C HIS A 75 78.182 -9.003 0.013 1.00 0.00 C ATOM 1221 O HIS A 75 78.685 -7.992 -0.433 1.00 0.00 O ATOM 1222 CB HIS A 75 79.129 -9.873 2.187 1.00 0.00 C ATOM 1223 CG HIS A 75 79.958 -8.652 2.494 1.00 0.00 C ATOM 1224 ND1 HIS A 75 79.389 -7.437 2.848 1.00 0.00 N ATOM 1225 CD2 HIS A 75 81.318 -8.449 2.526 1.00 0.00 C ATOM 1226 CE1 HIS A 75 80.394 -6.568 3.075 1.00 0.00 C ATOM 1227 NE2 HIS A 75 81.590 -7.136 2.893 1.00 0.00 N ATOM 0 H HIS A 75 80.890 -9.123 0.172 1.00 0.00 H new ATOM 0 HA HIS A 75 78.566 -11.044 0.422 1.00 0.00 H new ATOM 0 HB2 HIS A 75 78.128 -9.754 2.602 1.00 0.00 H new ATOM 0 HB3 HIS A 75 79.570 -10.748 2.664 1.00 0.00 H new ATOM 0 HD2 HIS A 75 82.063 -9.198 2.300 1.00 0.00 H new ATOM 0 HE1 HIS A 75 80.250 -5.539 3.368 1.00 0.00 H new ATOM 0 HE2 HIS A 75 82.506 -6.700 3.000 1.00 0.00 H new ATOM 1235 N THR A 76 76.882 -9.193 -0.036 1.00 0.00 N ATOM 1236 CA THR A 76 75.996 -8.151 -0.649 1.00 0.00 C ATOM 1237 C THR A 76 74.865 -7.746 0.330 1.00 0.00 C ATOM 1238 O THR A 76 74.883 -6.650 0.845 1.00 0.00 O ATOM 1239 CB THR A 76 75.438 -8.762 -1.939 1.00 0.00 C ATOM 1240 OG1 THR A 76 75.642 -10.168 -1.931 1.00 0.00 O ATOM 1241 CG2 THR A 76 76.134 -8.145 -3.152 1.00 0.00 C ATOM 0 H THR A 76 76.400 -10.019 0.320 1.00 0.00 H new ATOM 0 HA THR A 76 76.548 -7.237 -0.867 1.00 0.00 H new ATOM 0 HB THR A 76 74.370 -8.554 -1.999 1.00 0.00 H new ATOM 0 HG1 THR A 76 75.283 -10.555 -2.756 1.00 0.00 H new ATOM 0 HG21 THR A 76 75.732 -8.585 -4.065 1.00 0.00 H new ATOM 0 HG22 THR A 76 75.962 -7.069 -3.161 1.00 0.00 H new ATOM 0 HG23 THR A 76 77.205 -8.341 -3.096 1.00 0.00 H new ATOM 1249 N PRO A 77 73.905 -8.620 0.572 1.00 0.00 N ATOM 1250 CA PRO A 77 72.801 -8.270 1.500 1.00 0.00 C ATOM 1251 C PRO A 77 73.318 -7.946 2.913 1.00 0.00 C ATOM 1252 O PRO A 77 72.679 -7.233 3.659 1.00 0.00 O ATOM 1253 CB PRO A 77 71.961 -9.550 1.533 1.00 0.00 C ATOM 1254 CG PRO A 77 72.629 -10.606 0.638 1.00 0.00 C ATOM 1255 CD PRO A 77 73.850 -9.977 -0.042 1.00 0.00 C ATOM 0 HA PRO A 77 72.254 -7.384 1.177 1.00 0.00 H new ATOM 0 HB2 PRO A 77 71.878 -9.920 2.555 1.00 0.00 H new ATOM 0 HB3 PRO A 77 70.949 -9.346 1.184 1.00 0.00 H new ATOM 0 HG2 PRO A 77 72.931 -11.468 1.233 1.00 0.00 H new ATOM 0 HG3 PRO A 77 71.924 -10.966 -0.111 1.00 0.00 H new ATOM 0 HD2 PRO A 77 74.759 -10.546 0.152 1.00 0.00 H new ATOM 0 HD3 PRO A 77 73.730 -9.927 -1.124 1.00 0.00 H new ATOM 1263 N LYS A 78 74.441 -8.499 3.308 1.00 0.00 N ATOM 1264 CA LYS A 78 74.944 -8.249 4.698 1.00 0.00 C ATOM 1265 C LYS A 78 75.239 -6.766 4.955 1.00 0.00 C ATOM 1266 O LYS A 78 74.543 -6.109 5.705 1.00 0.00 O ATOM 1267 CB LYS A 78 76.230 -9.067 4.813 1.00 0.00 C ATOM 1268 CG LYS A 78 76.732 -9.010 6.257 1.00 0.00 C ATOM 1269 CD LYS A 78 78.009 -9.841 6.389 1.00 0.00 C ATOM 1270 CE LYS A 78 79.190 -8.940 6.768 1.00 0.00 C ATOM 1271 NZ LYS A 78 78.872 -8.436 8.134 1.00 0.00 N ATOM 0 H LYS A 78 75.026 -9.107 2.735 1.00 0.00 H new ATOM 0 HA LYS A 78 74.193 -8.534 5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 78 76.046 -10.100 4.519 1.00 0.00 H new ATOM 0 HB3 LYS A 78 76.988 -8.673 4.136 1.00 0.00 H new ATOM 0 HG2 LYS A 78 76.927 -7.977 6.544 1.00 0.00 H new ATOM 0 HG3 LYS A 78 75.967 -9.390 6.934 1.00 0.00 H new ATOM 0 HD2 LYS A 78 77.873 -10.612 7.147 1.00 0.00 H new ATOM 0 HD3 LYS A 78 78.218 -10.351 5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 78 80.128 -9.496 6.761 1.00 0.00 H new ATOM 0 HE3 LYS A 78 79.302 -8.118 6.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 78.867 -7.396 8.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 77.936 -8.785 8.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 79.591 -8.775 8.805 1.00 0.00 H new ATOM 1285 N GLU A 79 76.270 -6.235 4.356 1.00 0.00 N ATOM 1286 CA GLU A 79 76.606 -4.798 4.591 1.00 0.00 C ATOM 1287 C GLU A 79 76.420 -3.978 3.317 1.00 0.00 C ATOM 1288 O GLU A 79 76.333 -2.767 3.353 1.00 0.00 O ATOM 1289 CB GLU A 79 78.075 -4.800 5.013 1.00 0.00 C ATOM 1290 CG GLU A 79 78.223 -5.532 6.348 1.00 0.00 C ATOM 1291 CD GLU A 79 77.314 -4.883 7.393 1.00 0.00 C ATOM 1292 OE1 GLU A 79 77.080 -3.690 7.288 1.00 0.00 O ATOM 1293 OE2 GLU A 79 76.869 -5.589 8.283 1.00 0.00 O ATOM 0 H GLU A 79 76.893 -6.729 3.717 1.00 0.00 H new ATOM 0 HA GLU A 79 75.959 -4.350 5.345 1.00 0.00 H new ATOM 0 HB2 GLU A 79 78.683 -5.287 4.250 1.00 0.00 H new ATOM 0 HB3 GLU A 79 78.439 -3.777 5.105 1.00 0.00 H new ATOM 0 HG2 GLU A 79 77.963 -6.584 6.228 1.00 0.00 H new ATOM 0 HG3 GLU A 79 79.260 -5.496 6.681 1.00 0.00 H new ATOM 1300 N LEU A 80 76.369 -4.625 2.196 1.00 0.00 N ATOM 1301 CA LEU A 80 76.198 -3.888 0.917 1.00 0.00 C ATOM 1302 C LEU A 80 74.709 -3.614 0.659 1.00 0.00 C ATOM 1303 O LEU A 80 74.334 -2.975 -0.300 1.00 0.00 O ATOM 1304 CB LEU A 80 76.801 -4.825 -0.126 1.00 0.00 C ATOM 1305 CG LEU A 80 78.315 -4.623 -0.171 1.00 0.00 C ATOM 1306 CD1 LEU A 80 78.918 -4.968 1.189 1.00 0.00 C ATOM 1307 CD2 LEU A 80 78.916 -5.551 -1.219 1.00 0.00 C ATOM 0 H LEU A 80 76.438 -5.639 2.106 1.00 0.00 H new ATOM 0 HA LEU A 80 76.680 -2.910 0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 80 76.568 -5.861 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 80 76.367 -4.625 -1.106 1.00 0.00 H new ATOM 0 HG LEU A 80 78.531 -3.584 -0.420 1.00 0.00 H new ATOM 0 HD11 LEU A 80 79.998 -4.823 1.155 1.00 0.00 H new ATOM 0 HD12 LEU A 80 78.489 -4.319 1.952 1.00 0.00 H new ATOM 0 HD13 LEU A 80 78.698 -6.008 1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 80 79.996 -5.409 -1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 80 78.694 -6.586 -0.959 1.00 0.00 H new ATOM 0 HD23 LEU A 80 78.489 -5.323 -2.195 1.00 0.00 H new ATOM 1319 N GLY A 81 73.855 -4.094 1.514 1.00 0.00 N ATOM 1320 CA GLY A 81 72.393 -3.870 1.323 1.00 0.00 C ATOM 1321 C GLY A 81 72.105 -2.399 0.987 1.00 0.00 C ATOM 1322 O GLY A 81 71.072 -2.081 0.432 1.00 0.00 O ATOM 0 H GLY A 81 74.105 -4.635 2.342 1.00 0.00 H new ATOM 0 HA2 GLY A 81 72.024 -4.510 0.521 1.00 0.00 H new ATOM 0 HA3 GLY A 81 71.856 -4.153 2.228 1.00 0.00 H new ATOM 1326 N MET A 82 72.994 -1.494 1.312 1.00 0.00 N ATOM 1327 CA MET A 82 72.729 -0.056 0.992 1.00 0.00 C ATOM 1328 C MET A 82 72.695 0.145 -0.525 1.00 0.00 C ATOM 1329 O MET A 82 73.533 -0.358 -1.247 1.00 0.00 O ATOM 1330 CB MET A 82 73.893 0.725 1.606 1.00 0.00 C ATOM 1331 CG MET A 82 73.861 0.588 3.127 1.00 0.00 C ATOM 1332 SD MET A 82 72.293 1.243 3.744 1.00 0.00 S ATOM 1333 CE MET A 82 71.430 -0.341 3.889 1.00 0.00 C ATOM 0 H MET A 82 73.881 -1.684 1.779 1.00 0.00 H new ATOM 0 HA MET A 82 71.769 0.278 1.386 1.00 0.00 H new ATOM 0 HB2 MET A 82 74.840 0.350 1.218 1.00 0.00 H new ATOM 0 HB3 MET A 82 73.827 1.776 1.325 1.00 0.00 H new ATOM 0 HG2 MET A 82 73.971 -0.458 3.413 1.00 0.00 H new ATOM 0 HG3 MET A 82 74.696 1.129 3.571 1.00 0.00 H new ATOM 0 HE1 MET A 82 70.651 -0.402 3.129 1.00 0.00 H new ATOM 0 HE2 MET A 82 72.140 -1.156 3.748 1.00 0.00 H new ATOM 0 HE3 MET A 82 70.978 -0.420 4.878 1.00 0.00 H new ATOM 1343 N GLU A 83 71.729 0.879 -1.013 1.00 0.00 N ATOM 1344 CA GLU A 83 71.635 1.114 -2.481 1.00 0.00 C ATOM 1345 C GLU A 83 72.053 2.547 -2.815 1.00 0.00 C ATOM 1346 O GLU A 83 72.124 2.928 -3.963 1.00 0.00 O ATOM 1347 CB GLU A 83 70.163 0.874 -2.842 1.00 0.00 C ATOM 1348 CG GLU A 83 69.270 1.903 -2.141 1.00 0.00 C ATOM 1349 CD GLU A 83 68.722 1.301 -0.846 1.00 0.00 C ATOM 1350 OE1 GLU A 83 68.950 0.124 -0.622 1.00 0.00 O ATOM 1351 OE2 GLU A 83 68.083 2.026 -0.101 1.00 0.00 O ATOM 0 H GLU A 83 71.001 1.326 -0.456 1.00 0.00 H new ATOM 0 HA GLU A 83 72.295 0.454 -3.044 1.00 0.00 H new ATOM 0 HB2 GLU A 83 70.030 0.943 -3.922 1.00 0.00 H new ATOM 0 HB3 GLU A 83 69.869 -0.134 -2.548 1.00 0.00 H new ATOM 0 HG2 GLU A 83 69.839 2.806 -1.923 1.00 0.00 H new ATOM 0 HG3 GLU A 83 68.449 2.194 -2.796 1.00 0.00 H new ATOM 1358 N GLU A 84 72.328 3.351 -1.823 1.00 0.00 N ATOM 1359 CA GLU A 84 72.744 4.754 -2.122 1.00 0.00 C ATOM 1360 C GLU A 84 73.603 5.365 -1.007 1.00 0.00 C ATOM 1361 O GLU A 84 74.096 6.465 -1.146 1.00 0.00 O ATOM 1362 CB GLU A 84 71.445 5.530 -2.294 1.00 0.00 C ATOM 1363 CG GLU A 84 70.762 5.074 -3.583 1.00 0.00 C ATOM 1364 CD GLU A 84 69.747 6.128 -4.022 1.00 0.00 C ATOM 1365 OE1 GLU A 84 69.523 7.056 -3.264 1.00 0.00 O ATOM 1366 OE2 GLU A 84 69.211 5.988 -5.109 1.00 0.00 O ATOM 0 H GLU A 84 72.284 3.104 -0.834 1.00 0.00 H new ATOM 0 HA GLU A 84 73.370 4.789 -3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 84 70.789 5.361 -1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 84 71.648 6.600 -2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 84 71.505 4.921 -4.366 1.00 0.00 H new ATOM 0 HG3 GLU A 84 70.264 4.118 -3.424 1.00 0.00 H new ATOM 1373 N GLU A 85 73.807 4.681 0.081 1.00 0.00 N ATOM 1374 CA GLU A 85 74.656 5.263 1.156 1.00 0.00 C ATOM 1375 C GLU A 85 75.582 4.194 1.731 1.00 0.00 C ATOM 1376 O GLU A 85 75.150 3.274 2.397 1.00 0.00 O ATOM 1377 CB GLU A 85 73.684 5.757 2.226 1.00 0.00 C ATOM 1378 CG GLU A 85 72.919 6.976 1.704 1.00 0.00 C ATOM 1379 CD GLU A 85 73.892 8.132 1.455 1.00 0.00 C ATOM 1380 OE1 GLU A 85 75.070 7.959 1.723 1.00 0.00 O ATOM 1381 OE2 GLU A 85 73.442 9.171 1.001 1.00 0.00 O ATOM 0 H GLU A 85 73.428 3.754 0.273 1.00 0.00 H new ATOM 0 HA GLU A 85 75.287 6.070 0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 85 72.986 4.963 2.491 1.00 0.00 H new ATOM 0 HB3 GLU A 85 74.229 6.018 3.133 1.00 0.00 H new ATOM 0 HG2 GLU A 85 72.398 6.722 0.781 1.00 0.00 H new ATOM 0 HG3 GLU A 85 72.160 7.277 2.426 1.00 0.00 H new ATOM 1388 N ASP A 86 76.854 4.314 1.491 1.00 0.00 N ATOM 1389 CA ASP A 86 77.808 3.313 2.035 1.00 0.00 C ATOM 1390 C ASP A 86 79.042 4.040 2.566 1.00 0.00 C ATOM 1391 O ASP A 86 79.563 4.935 1.930 1.00 0.00 O ATOM 1392 CB ASP A 86 78.157 2.414 0.855 1.00 0.00 C ATOM 1393 CG ASP A 86 78.734 1.107 1.383 1.00 0.00 C ATOM 1394 OD1 ASP A 86 79.618 1.173 2.221 1.00 0.00 O ATOM 1395 OD2 ASP A 86 78.275 0.062 0.949 1.00 0.00 O ATOM 0 H ASP A 86 77.275 5.063 0.941 1.00 0.00 H new ATOM 0 HA ASP A 86 77.397 2.731 2.860 1.00 0.00 H new ATOM 0 HB2 ASP A 86 77.268 2.218 0.255 1.00 0.00 H new ATOM 0 HB3 ASP A 86 78.878 2.909 0.205 1.00 0.00 H new ATOM 1400 N VAL A 87 79.489 3.693 3.739 1.00 0.00 N ATOM 1401 CA VAL A 87 80.663 4.406 4.321 1.00 0.00 C ATOM 1402 C VAL A 87 81.823 3.461 4.647 1.00 0.00 C ATOM 1403 O VAL A 87 81.650 2.424 5.257 1.00 0.00 O ATOM 1404 CB VAL A 87 80.129 5.011 5.613 1.00 0.00 C ATOM 1405 CG1 VAL A 87 79.871 3.889 6.625 1.00 0.00 C ATOM 1406 CG2 VAL A 87 81.164 5.981 6.180 1.00 0.00 C ATOM 0 H VAL A 87 79.096 2.951 4.319 1.00 0.00 H new ATOM 0 HA VAL A 87 81.061 5.137 3.618 1.00 0.00 H new ATOM 0 HB VAL A 87 79.200 5.545 5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 87 79.489 4.316 7.552 1.00 0.00 H new ATOM 0 HG12 VAL A 87 79.139 3.192 6.217 1.00 0.00 H new ATOM 0 HG13 VAL A 87 80.802 3.360 6.826 1.00 0.00 H new ATOM 0 HG21 VAL A 87 80.786 6.417 7.105 1.00 0.00 H new ATOM 0 HG22 VAL A 87 82.091 5.446 6.383 1.00 0.00 H new ATOM 0 HG23 VAL A 87 81.354 6.774 5.457 1.00 0.00 H new ATOM 1416 N ILE A 88 83.015 3.844 4.276 1.00 0.00 N ATOM 1417 CA ILE A 88 84.209 3.013 4.593 1.00 0.00 C ATOM 1418 C ILE A 88 85.292 3.874 5.230 1.00 0.00 C ATOM 1419 O ILE A 88 85.554 4.982 4.802 1.00 0.00 O ATOM 1420 CB ILE A 88 84.721 2.469 3.265 1.00 0.00 C ATOM 1421 CG1 ILE A 88 83.733 1.455 2.703 1.00 0.00 C ATOM 1422 CG2 ILE A 88 86.073 1.784 3.489 1.00 0.00 C ATOM 1423 CD1 ILE A 88 82.802 2.148 1.706 1.00 0.00 C ATOM 0 H ILE A 88 83.213 4.703 3.763 1.00 0.00 H new ATOM 0 HA ILE A 88 83.953 2.213 5.288 1.00 0.00 H new ATOM 0 HB ILE A 88 84.832 3.292 2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 88 84.269 0.643 2.212 1.00 0.00 H new ATOM 0 HG13 ILE A 88 83.152 1.011 3.511 1.00 0.00 H new ATOM 0 HG21 ILE A 88 86.444 1.393 2.542 1.00 0.00 H new ATOM 0 HG22 ILE A 88 86.785 2.507 3.887 1.00 0.00 H new ATOM 0 HG23 ILE A 88 85.953 0.965 4.198 1.00 0.00 H new ATOM 0 HD11 ILE A 88 82.095 1.423 1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 88 82.256 2.945 2.211 1.00 0.00 H new ATOM 0 HD13 ILE A 88 83.391 2.571 0.892 1.00 0.00 H new ATOM 1435 N GLU A 89 85.954 3.358 6.213 1.00 0.00 N ATOM 1436 CA GLU A 89 87.056 4.120 6.844 1.00 0.00 C ATOM 1437 C GLU A 89 88.331 3.320 6.633 1.00 0.00 C ATOM 1438 O GLU A 89 88.375 2.136 6.902 1.00 0.00 O ATOM 1439 CB GLU A 89 86.695 4.212 8.328 1.00 0.00 C ATOM 1440 CG GLU A 89 85.458 5.097 8.494 1.00 0.00 C ATOM 1441 CD GLU A 89 84.191 4.263 8.291 1.00 0.00 C ATOM 1442 OE1 GLU A 89 83.956 3.373 9.092 1.00 0.00 O ATOM 1443 OE2 GLU A 89 83.474 4.533 7.342 1.00 0.00 O ATOM 0 H GLU A 89 85.780 2.435 6.611 1.00 0.00 H new ATOM 0 HA GLU A 89 87.200 5.119 6.432 1.00 0.00 H new ATOM 0 HB2 GLU A 89 86.501 3.217 8.729 1.00 0.00 H new ATOM 0 HB3 GLU A 89 87.531 4.626 8.892 1.00 0.00 H new ATOM 0 HG2 GLU A 89 85.453 5.547 9.487 1.00 0.00 H new ATOM 0 HG3 GLU A 89 85.485 5.914 7.773 1.00 0.00 H new ATOM 1450 N VAL A 90 89.363 3.922 6.130 1.00 0.00 N ATOM 1451 CA VAL A 90 90.594 3.123 5.899 1.00 0.00 C ATOM 1452 C VAL A 90 91.705 3.537 6.843 1.00 0.00 C ATOM 1453 O VAL A 90 91.928 4.703 7.108 1.00 0.00 O ATOM 1454 CB VAL A 90 91.035 3.335 4.439 1.00 0.00 C ATOM 1455 CG1 VAL A 90 90.786 2.066 3.642 1.00 0.00 C ATOM 1456 CG2 VAL A 90 90.246 4.451 3.785 1.00 0.00 C ATOM 0 H VAL A 90 89.412 4.908 5.873 1.00 0.00 H new ATOM 0 HA VAL A 90 90.382 2.070 6.087 1.00 0.00 H new ATOM 0 HB VAL A 90 92.094 3.593 4.448 1.00 0.00 H new ATOM 0 HG11 VAL A 90 91.099 2.218 2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 90 91.357 1.245 4.077 1.00 0.00 H new ATOM 0 HG13 VAL A 90 89.724 1.823 3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 90 90.580 4.577 2.755 1.00 0.00 H new ATOM 0 HG22 VAL A 90 89.185 4.201 3.795 1.00 0.00 H new ATOM 0 HG23 VAL A 90 90.405 5.379 4.334 1.00 0.00 H new ATOM 1466 N TYR A 91 92.410 2.570 7.335 1.00 0.00 N ATOM 1467 CA TYR A 91 93.538 2.848 8.252 1.00 0.00 C ATOM 1468 C TYR A 91 94.843 2.634 7.498 1.00 0.00 C ATOM 1469 O TYR A 91 95.237 1.521 7.211 1.00 0.00 O ATOM 1470 CB TYR A 91 93.380 1.836 9.384 1.00 0.00 C ATOM 1471 CG TYR A 91 92.095 2.120 10.129 1.00 0.00 C ATOM 1472 CD1 TYR A 91 90.856 1.970 9.487 1.00 0.00 C ATOM 1473 CD2 TYR A 91 92.142 2.538 11.464 1.00 0.00 C ATOM 1474 CE1 TYR A 91 89.669 2.239 10.182 1.00 0.00 C ATOM 1475 CE2 TYR A 91 90.953 2.806 12.159 1.00 0.00 C ATOM 1476 CZ TYR A 91 89.716 2.657 11.517 1.00 0.00 C ATOM 1477 OH TYR A 91 88.542 2.911 12.201 1.00 0.00 O ATOM 0 H TYR A 91 92.251 1.582 7.138 1.00 0.00 H new ATOM 0 HA TYR A 91 93.547 3.868 8.636 1.00 0.00 H new ATOM 0 HB2 TYR A 91 93.365 0.823 8.983 1.00 0.00 H new ATOM 0 HB3 TYR A 91 94.230 1.897 10.064 1.00 0.00 H new ATOM 0 HD1 TYR A 91 90.817 1.647 8.457 1.00 0.00 H new ATOM 0 HD2 TYR A 91 93.094 2.654 11.960 1.00 0.00 H new ATOM 0 HE1 TYR A 91 88.716 2.124 9.687 1.00 0.00 H new ATOM 0 HE2 TYR A 91 90.991 3.127 13.189 1.00 0.00 H new ATOM 0 HH TYR A 91 88.751 3.191 13.117 1.00 0.00 H new ATOM 1487 N GLN A 92 95.501 3.701 7.160 1.00 0.00 N ATOM 1488 CA GLN A 92 96.775 3.594 6.399 1.00 0.00 C ATOM 1489 C GLN A 92 97.959 3.541 7.378 1.00 0.00 C ATOM 1490 O GLN A 92 98.149 4.434 8.181 1.00 0.00 O ATOM 1491 CB GLN A 92 96.794 4.876 5.568 1.00 0.00 C ATOM 1492 CG GLN A 92 95.543 4.939 4.694 1.00 0.00 C ATOM 1493 CD GLN A 92 95.508 6.281 3.969 1.00 0.00 C ATOM 1494 OE1 GLN A 92 95.516 7.319 4.597 1.00 0.00 O ATOM 1495 NE2 GLN A 92 95.470 6.304 2.668 1.00 0.00 N ATOM 0 H GLN A 92 95.210 4.654 7.379 1.00 0.00 H new ATOM 0 HA GLN A 92 96.850 2.699 5.782 1.00 0.00 H new ATOM 0 HB2 GLN A 92 96.836 5.746 6.224 1.00 0.00 H new ATOM 0 HB3 GLN A 92 97.687 4.904 4.944 1.00 0.00 H new ATOM 0 HG2 GLN A 92 95.547 4.122 3.973 1.00 0.00 H new ATOM 0 HG3 GLN A 92 94.650 4.819 5.307 1.00 0.00 H new ATOM 0 HE21 GLN A 92 95.463 5.430 2.142 1.00 0.00 H new ATOM 0 HE22 GLN A 92 95.447 7.196 2.174 1.00 0.00 H new ATOM 1504 N GLU A 93 98.744 2.491 7.338 1.00 0.00 N ATOM 1505 CA GLU A 93 99.891 2.393 8.297 1.00 0.00 C ATOM 1506 C GLU A 93 101.203 2.007 7.594 1.00 0.00 C ATOM 1507 O GLU A 93 102.242 1.943 8.221 1.00 0.00 O ATOM 1508 CB GLU A 93 99.476 1.308 9.297 1.00 0.00 C ATOM 1509 CG GLU A 93 100.476 1.265 10.458 1.00 0.00 C ATOM 1510 CD GLU A 93 101.470 0.124 10.237 1.00 0.00 C ATOM 1511 OE1 GLU A 93 101.260 -0.648 9.317 1.00 0.00 O ATOM 1512 OE2 GLU A 93 102.424 0.039 10.995 1.00 0.00 O ATOM 0 H GLU A 93 98.643 1.708 6.693 1.00 0.00 H new ATOM 0 HA GLU A 93 100.088 3.353 8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 93 98.474 1.512 9.675 1.00 0.00 H new ATOM 0 HB3 GLU A 93 99.438 0.338 8.801 1.00 0.00 H new ATOM 0 HG2 GLU A 93 101.007 2.214 10.529 1.00 0.00 H new ATOM 0 HG3 GLU A 93 99.948 1.123 11.401 1.00 0.00 H new ATOM 1519 N GLN A 94 101.181 1.739 6.312 1.00 0.00 N ATOM 1520 CA GLN A 94 102.457 1.354 5.625 1.00 0.00 C ATOM 1521 C GLN A 94 102.814 2.348 4.521 1.00 0.00 C ATOM 1522 O GLN A 94 101.990 2.707 3.705 1.00 0.00 O ATOM 1523 CB GLN A 94 102.197 -0.013 4.991 1.00 0.00 C ATOM 1524 CG GLN A 94 101.832 -1.031 6.068 1.00 0.00 C ATOM 1525 CD GLN A 94 101.741 -2.421 5.432 1.00 0.00 C ATOM 1526 OE1 GLN A 94 102.640 -2.839 4.729 1.00 0.00 O ATOM 1527 NE2 GLN A 94 100.685 -3.158 5.644 1.00 0.00 N ATOM 0 H GLN A 94 100.352 1.768 5.718 1.00 0.00 H new ATOM 0 HA GLN A 94 103.282 1.340 6.337 1.00 0.00 H new ATOM 0 HB2 GLN A 94 101.389 0.063 4.263 1.00 0.00 H new ATOM 0 HB3 GLN A 94 103.083 -0.346 4.450 1.00 0.00 H new ATOM 0 HG2 GLN A 94 102.582 -1.027 6.859 1.00 0.00 H new ATOM 0 HG3 GLN A 94 100.881 -0.766 6.530 1.00 0.00 H new ATOM 0 HE21 GLN A 94 99.929 -2.809 6.234 1.00 0.00 H new ATOM 0 HE22 GLN A 94 100.615 -4.083 5.220 1.00 0.00 H new ATOM 1536 N THR A 95 104.048 2.772 4.473 1.00 0.00 N ATOM 1537 CA THR A 95 104.469 3.715 3.399 1.00 0.00 C ATOM 1538 C THR A 95 105.466 3.019 2.465 1.00 0.00 C ATOM 1539 O THR A 95 105.882 3.566 1.462 1.00 0.00 O ATOM 1540 CB THR A 95 105.141 4.880 4.130 1.00 0.00 C ATOM 1541 OG1 THR A 95 106.319 4.414 4.776 1.00 0.00 O ATOM 1542 CG2 THR A 95 104.174 5.456 5.169 1.00 0.00 C ATOM 0 H THR A 95 104.781 2.506 5.130 1.00 0.00 H new ATOM 0 HA THR A 95 103.632 4.053 2.788 1.00 0.00 H new ATOM 0 HB THR A 95 105.405 5.659 3.414 1.00 0.00 H new ATOM 0 HG1 THR A 95 106.752 5.159 5.243 1.00 0.00 H new ATOM 0 HG21 THR A 95 104.652 6.286 5.690 1.00 0.00 H new ATOM 0 HG22 THR A 95 103.273 5.812 4.669 1.00 0.00 H new ATOM 0 HG23 THR A 95 103.908 4.681 5.888 1.00 0.00 H new ATOM 1550 N GLY A 96 105.860 1.817 2.795 1.00 0.00 N ATOM 1551 CA GLY A 96 106.837 1.090 1.938 1.00 0.00 C ATOM 1552 C GLY A 96 108.237 1.629 2.224 1.00 0.00 C ATOM 1553 O GLY A 96 108.405 2.553 2.994 1.00 0.00 O ATOM 0 H GLY A 96 105.546 1.309 3.622 1.00 0.00 H new ATOM 0 HA2 GLY A 96 106.795 0.020 2.142 1.00 0.00 H new ATOM 0 HA3 GLY A 96 106.589 1.224 0.885 1.00 0.00 H new ATOM 1557 N GLY A 97 109.243 1.070 1.611 1.00 0.00 N ATOM 1558 CA GLY A 97 110.625 1.572 1.856 1.00 0.00 C ATOM 1559 C GLY A 97 111.114 1.115 3.234 1.00 0.00 C ATOM 1560 O GLY A 97 111.627 1.897 4.008 1.00 0.00 O ATOM 0 H GLY A 97 109.170 0.292 0.955 1.00 0.00 H new ATOM 0 HA2 GLY A 97 111.297 1.202 1.082 1.00 0.00 H new ATOM 0 HA3 GLY A 97 110.641 2.660 1.798 1.00 0.00 H new ATOM 1564 N HIS A 98 110.956 -0.140 3.554 1.00 0.00 N ATOM 1565 CA HIS A 98 111.413 -0.625 4.889 1.00 0.00 C ATOM 1566 C HIS A 98 112.932 -0.456 5.035 1.00 0.00 C ATOM 1567 O HIS A 98 113.449 -0.345 6.130 1.00 0.00 O ATOM 1568 CB HIS A 98 111.018 -2.103 4.928 1.00 0.00 C ATOM 1569 CG HIS A 98 111.857 -2.887 3.948 1.00 0.00 C ATOM 1570 ND1 HIS A 98 111.522 -3.006 2.604 1.00 0.00 N ATOM 1571 CD2 HIS A 98 113.015 -3.608 4.107 1.00 0.00 C ATOM 1572 CE1 HIS A 98 112.462 -3.773 2.018 1.00 0.00 C ATOM 1573 NE2 HIS A 98 113.394 -4.166 2.888 1.00 0.00 N ATOM 0 H HIS A 98 110.533 -0.848 2.954 1.00 0.00 H new ATOM 0 HA HIS A 98 110.963 -0.064 5.708 1.00 0.00 H new ATOM 0 HB2 HIS A 98 111.155 -2.498 5.935 1.00 0.00 H new ATOM 0 HB3 HIS A 98 109.961 -2.212 4.684 1.00 0.00 H new ATOM 0 HD2 HIS A 98 113.551 -3.725 5.037 1.00 0.00 H new ATOM 0 HE1 HIS A 98 112.461 -4.038 0.971 1.00 0.00 H new ATOM 0 HE2 HIS A 98 114.209 -4.750 2.701 1.00 0.00 H new ATOM 1581 N SER A 99 113.646 -0.421 3.942 1.00 0.00 N ATOM 1582 CA SER A 99 115.129 -0.245 4.022 1.00 0.00 C ATOM 1583 C SER A 99 115.614 0.666 2.886 1.00 0.00 C ATOM 1584 O SER A 99 114.923 0.875 1.909 1.00 0.00 O ATOM 1585 CB SER A 99 115.716 -1.652 3.894 1.00 0.00 C ATOM 1586 OG SER A 99 115.381 -2.199 2.627 1.00 0.00 O ATOM 0 H SER A 99 113.269 -0.506 2.998 1.00 0.00 H new ATOM 0 HA SER A 99 115.439 0.227 4.954 1.00 0.00 H new ATOM 0 HB2 SER A 99 116.799 -1.616 4.010 1.00 0.00 H new ATOM 0 HB3 SER A 99 115.331 -2.290 4.689 1.00 0.00 H new ATOM 0 HG SER A 99 115.007 -3.097 2.747 1.00 0.00 H new ATOM 1592 N THR A 100 116.794 1.218 3.012 1.00 0.00 N ATOM 1593 CA THR A 100 117.317 2.128 1.946 1.00 0.00 C ATOM 1594 C THR A 100 117.435 1.385 0.608 1.00 0.00 C ATOM 1595 O THR A 100 117.143 1.927 -0.439 1.00 0.00 O ATOM 1596 CB THR A 100 118.698 2.581 2.439 1.00 0.00 C ATOM 1597 OG1 THR A 100 118.575 3.180 3.725 1.00 0.00 O ATOM 1598 CG2 THR A 100 119.279 3.604 1.459 1.00 0.00 C ATOM 0 H THR A 100 117.418 1.078 3.806 1.00 0.00 H new ATOM 0 HA THR A 100 116.652 2.974 1.774 1.00 0.00 H new ATOM 0 HB THR A 100 119.359 1.717 2.502 1.00 0.00 H new ATOM 0 HG1 THR A 100 119.458 3.467 4.038 1.00 0.00 H new ATOM 0 HG21 THR A 100 120.260 3.926 1.808 1.00 0.00 H new ATOM 0 HG22 THR A 100 119.376 3.149 0.473 1.00 0.00 H new ATOM 0 HG23 THR A 100 118.615 4.466 1.397 1.00 0.00 H new ATOM 1606 N VAL A 101 117.869 0.155 0.630 1.00 0.00 N ATOM 1607 CA VAL A 101 118.011 -0.613 -0.645 1.00 0.00 C ATOM 1608 C VAL A 101 118.642 0.270 -1.726 1.00 0.00 C ATOM 1609 O VAL A 101 117.907 0.741 -2.580 1.00 0.00 O ATOM 1610 CB VAL A 101 116.588 -1.008 -1.048 1.00 0.00 C ATOM 1611 CG1 VAL A 101 116.622 -1.720 -2.404 1.00 0.00 C ATOM 1612 CG2 VAL A 101 115.997 -1.942 0.010 1.00 0.00 C ATOM 1613 OXT VAL A 101 119.846 0.459 -1.683 1.00 0.00 O ATOM 0 H VAL A 101 118.132 -0.354 1.474 1.00 0.00 H new ATOM 0 HA VAL A 101 118.653 -1.485 -0.523 1.00 0.00 H new ATOM 0 HB VAL A 101 115.969 -0.114 -1.124 1.00 0.00 H new ATOM 0 HG11 VAL A 101 115.609 -2.002 -2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 101 117.040 -1.051 -3.156 1.00 0.00 H new ATOM 0 HG13 VAL A 101 117.240 -2.614 -2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 101 114.984 -2.223 -0.278 1.00 0.00 H new ATOM 0 HG22 VAL A 101 116.613 -2.838 0.090 1.00 0.00 H new ATOM 0 HG23 VAL A 101 115.973 -1.432 0.973 1.00 0.00 H new TER 1623 VAL A 101