USER MOD reduce.3.24.130724 H: found=0, std=0, add=763, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 762 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 103 TYR OH : rot 180:sc= 0.786 USER MOD Set 1.2: A 124 SER OG : rot -154:sc= 0.891 USER MOD Set 2.1: A 93 THR OG1 : rot -174:sc= 0.788 USER MOD Set 2.2: A 106 GLN : amide:sc= -0.668 K(o=0.12,f=-0.85!) USER MOD Set 3.1: A 55 CYS SG : rot 180:sc= 0.352 USER MOD Set 3.2: A 56 LYS NZ :NH3+ -160:sc= 0.371 (180deg=0) USER MOD Set 4.1: A 51 LYS NZ :NH3+ -179:sc= 1.08 (180deg=-0.0164) USER MOD Set 4.2: A 83 GLN : amide:sc= 0.159 K(o=1.2,f=-8.1!) USER MOD Single : A 48 SER OG : rot 20:sc= 0.236 USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= 0.991 (180deg=-0.205) USER MOD Single : A 53 LYS NZ :NH3+ -173:sc= 0.361 (180deg=0.333) USER MOD Single : A 54 MET CE :methyl 168:sc= -0.0263 (180deg=-0.294) USER MOD Single : A 61 GLN : amide:sc= -0.0124 K(o=-0.012,f=-2!) USER MOD Single : A 63 LYS NZ :NH3+ -165:sc= -0.036 (180deg=-0.307) USER MOD Single : A 64 ASN : amide:sc= -1.71! C(o=-1.7!,f=-7.4!) USER MOD Single : A 65 THR OG1 : rot 158:sc= 0.712 USER MOD Single : A 68 MET CE :methyl -138:sc= -0.295 (180deg=-1.44!) USER MOD Single : A 70 ASN : amide:sc= 0.502 K(o=0.5,f=-0.44) USER MOD Single : A 74 HIS : no HD1:sc= -0.49 X(o=-0.49,f=-0.031) USER MOD Single : A 78 TYR OH : rot -149:sc= -0.699 USER MOD Single : A 79 LYS NZ :NH3+ 177:sc= 0.115 (180deg=0.114) USER MOD Single : A 82 SER OG : rot 180:sc= -0.045 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= -0.168 K(o=-0.17,f=-0.8) USER MOD Single : A 95 SER OG : rot 145:sc= -0.626 USER MOD Single : A 101 GLN : amide:sc= -1.76! K(o=-1.8!,f=-0.95) USER MOD Single : A 102 LYS NZ :NH3+ -178:sc= 0.948 (180deg=0.942) USER MOD Single : A 109 SER OG : rot -10:sc= 0.931 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ -153:sc= 1.18 (180deg=-0.239) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -2.85! K(o=-2.9!,f=-1.9) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 SER OG : rot 110:sc= -0.0845 USER MOD Single : A 138 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 48 13.788 -14.593 -12.155 1.00 13.01 N ATOM 2 CA SER A 48 14.020 -15.304 -10.882 1.00 22.43 C ATOM 3 C SER A 48 12.746 -15.309 -10.040 1.00 72.43 C ATOM 4 O SER A 48 12.144 -16.364 -9.822 1.00 52.22 O ATOM 5 CB SER A 48 15.160 -14.633 -10.114 1.00 23.05 C ATOM 6 OG SER A 48 16.272 -14.383 -10.962 1.00 55.51 O ATOM 0 HA SER A 48 14.297 -16.336 -11.097 1.00 22.43 H new ATOM 0 HB2 SER A 48 14.809 -13.695 -9.683 1.00 23.05 H new ATOM 0 HB3 SER A 48 15.468 -15.270 -9.284 1.00 23.05 H new ATOM 0 HG SER A 48 15.978 -14.385 -11.897 1.00 55.51 H new ATOM 12 N ASP A 49 12.333 -14.118 -9.594 1.00 4.11 N ATOM 13 CA ASP A 49 11.130 -13.945 -8.777 1.00 21.12 C ATOM 14 C ASP A 49 11.293 -14.617 -7.416 1.00 43.14 C ATOM 15 O ASP A 49 11.001 -15.806 -7.256 1.00 41.15 O ATOM 16 CB ASP A 49 9.870 -14.491 -9.465 1.00 63.21 C ATOM 17 CG ASP A 49 9.609 -13.871 -10.822 1.00 10.42 C ATOM 18 OD1 ASP A 49 9.629 -12.630 -10.936 1.00 21.30 O ATOM 19 OD2 ASP A 49 9.362 -14.630 -11.783 1.00 55.23 O ATOM 0 H ASP A 49 12.825 -13.246 -9.790 1.00 4.11 H new ATOM 0 HA ASP A 49 11.003 -12.871 -8.643 1.00 21.12 H new ATOM 0 HB2 ASP A 49 9.967 -15.571 -9.580 1.00 63.21 H new ATOM 0 HB3 ASP A 49 9.008 -14.315 -8.821 1.00 63.21 H new ATOM 24 N PRO A 50 11.795 -13.877 -6.419 1.00 23.21 N ATOM 25 CA PRO A 50 11.903 -14.378 -5.053 1.00 63.12 C ATOM 26 C PRO A 50 10.549 -14.370 -4.353 1.00 32.31 C ATOM 27 O PRO A 50 10.109 -13.350 -3.820 1.00 62.42 O ATOM 28 CB PRO A 50 12.876 -13.406 -4.387 1.00 51.12 C ATOM 29 CG PRO A 50 12.735 -12.130 -5.151 1.00 13.13 C ATOM 30 CD PRO A 50 12.306 -12.500 -6.550 1.00 65.42 C ATOM 0 HA PRO A 50 12.245 -15.412 -5.010 1.00 63.12 H new ATOM 0 HB2 PRO A 50 12.633 -13.264 -3.334 1.00 51.12 H new ATOM 0 HB3 PRO A 50 13.899 -13.780 -4.430 1.00 51.12 H new ATOM 0 HG2 PRO A 50 11.998 -11.478 -4.681 1.00 13.13 H new ATOM 0 HG3 PRO A 50 13.678 -11.584 -5.168 1.00 13.13 H new ATOM 0 HD2 PRO A 50 11.537 -11.824 -6.923 1.00 65.42 H new ATOM 0 HD3 PRO A 50 13.141 -12.450 -7.249 1.00 65.42 H new ATOM 38 N LYS A 51 9.868 -15.505 -4.393 1.00 30.51 N ATOM 39 CA LYS A 51 8.532 -15.599 -3.839 1.00 3.12 C ATOM 40 C LYS A 51 8.568 -15.822 -2.336 1.00 32.14 C ATOM 41 O LYS A 51 8.795 -16.938 -1.859 1.00 3.21 O ATOM 42 CB LYS A 51 7.735 -16.704 -4.534 1.00 53.23 C ATOM 43 CG LYS A 51 7.494 -16.424 -6.009 1.00 2.30 C ATOM 44 CD LYS A 51 6.881 -15.045 -6.213 1.00 5.40 C ATOM 45 CE LYS A 51 6.616 -14.749 -7.681 1.00 2.53 C ATOM 46 NZ LYS A 51 6.114 -13.361 -7.880 1.00 11.54 N ATOM 0 H LYS A 51 10.220 -16.370 -4.803 1.00 30.51 H new ATOM 0 HA LYS A 51 8.030 -14.648 -4.019 1.00 3.12 H new ATOM 0 HB2 LYS A 51 8.269 -17.649 -4.432 1.00 53.23 H new ATOM 0 HB3 LYS A 51 6.775 -16.824 -4.031 1.00 53.23 H new ATOM 0 HG2 LYS A 51 8.436 -16.491 -6.553 1.00 2.30 H new ATOM 0 HG3 LYS A 51 6.832 -17.184 -6.423 1.00 2.30 H new ATOM 0 HD2 LYS A 51 5.947 -14.978 -5.656 1.00 5.40 H new ATOM 0 HD3 LYS A 51 7.550 -14.287 -5.806 1.00 5.40 H new ATOM 0 HE2 LYS A 51 7.534 -14.890 -8.252 1.00 2.53 H new ATOM 0 HE3 LYS A 51 5.886 -15.459 -8.070 1.00 2.53 H new ATOM 0 HZ1 LYS A 51 5.928 -13.201 -8.891 1.00 11.54 H new ATOM 0 HZ2 LYS A 51 5.234 -13.229 -7.341 1.00 11.54 H new ATOM 0 HZ3 LYS A 51 6.828 -12.682 -7.547 1.00 11.54 H new ATOM 60 N LYS A 52 8.375 -14.734 -1.603 1.00 4.14 N ATOM 61 CA LYS A 52 8.269 -14.781 -0.153 1.00 0.31 C ATOM 62 C LYS A 52 6.999 -15.524 0.245 1.00 31.20 C ATOM 63 O LYS A 52 5.897 -14.984 0.154 1.00 74.41 O ATOM 64 CB LYS A 52 8.251 -13.359 0.412 1.00 32.00 C ATOM 65 CG LYS A 52 8.238 -13.291 1.929 1.00 52.44 C ATOM 66 CD LYS A 52 8.102 -11.857 2.413 1.00 3.23 C ATOM 67 CE LYS A 52 8.188 -11.770 3.926 1.00 34.12 C ATOM 68 NZ LYS A 52 9.501 -12.248 4.430 1.00 74.41 N ATOM 0 H LYS A 52 8.288 -13.797 -1.996 1.00 4.14 H new ATOM 0 HA LYS A 52 9.130 -15.310 0.256 1.00 0.31 H new ATOM 0 HB2 LYS A 52 9.125 -12.823 0.043 1.00 32.00 H new ATOM 0 HB3 LYS A 52 7.373 -12.839 0.029 1.00 32.00 H new ATOM 0 HG2 LYS A 52 7.412 -13.888 2.315 1.00 52.44 H new ATOM 0 HG3 LYS A 52 9.157 -13.725 2.323 1.00 52.44 H new ATOM 0 HD2 LYS A 52 8.886 -11.245 1.967 1.00 3.23 H new ATOM 0 HD3 LYS A 52 7.149 -11.447 2.078 1.00 3.23 H new ATOM 0 HE2 LYS A 52 8.031 -10.738 4.241 1.00 34.12 H new ATOM 0 HE3 LYS A 52 7.389 -12.364 4.371 1.00 34.12 H new ATOM 0 HZ1 LYS A 52 9.678 -11.847 5.373 1.00 74.41 H new ATOM 0 HZ2 LYS A 52 9.492 -13.286 4.492 1.00 74.41 H new ATOM 0 HZ3 LYS A 52 10.254 -11.946 3.779 1.00 74.41 H new ATOM 82 N LYS A 53 7.161 -16.764 0.670 1.00 3.44 N ATOM 83 CA LYS A 53 6.027 -17.616 0.997 1.00 72.51 C ATOM 84 C LYS A 53 5.697 -17.531 2.477 1.00 55.23 C ATOM 85 O LYS A 53 4.566 -17.793 2.888 1.00 43.51 O ATOM 86 CB LYS A 53 6.333 -19.061 0.612 1.00 13.35 C ATOM 87 CG LYS A 53 6.496 -19.266 -0.883 1.00 32.42 C ATOM 88 CD LYS A 53 7.104 -20.621 -1.199 1.00 4.53 C ATOM 89 CE LYS A 53 8.544 -20.711 -0.715 1.00 12.05 C ATOM 90 NZ LYS A 53 9.417 -19.711 -1.389 1.00 51.24 N ATOM 0 H LYS A 53 8.071 -17.207 0.798 1.00 3.44 H new ATOM 0 HA LYS A 53 5.162 -17.269 0.432 1.00 72.51 H new ATOM 0 HB2 LYS A 53 7.246 -19.378 1.116 1.00 13.35 H new ATOM 0 HB3 LYS A 53 5.530 -19.703 0.974 1.00 13.35 H new ATOM 0 HG2 LYS A 53 5.525 -19.180 -1.371 1.00 32.42 H new ATOM 0 HG3 LYS A 53 7.129 -18.478 -1.292 1.00 32.42 H new ATOM 0 HD2 LYS A 53 6.511 -21.406 -0.729 1.00 4.53 H new ATOM 0 HD3 LYS A 53 7.069 -20.795 -2.274 1.00 4.53 H new ATOM 0 HE2 LYS A 53 8.576 -20.553 0.363 1.00 12.05 H new ATOM 0 HE3 LYS A 53 8.928 -21.714 -0.902 1.00 12.05 H new ATOM 0 HZ1 LYS A 53 10.408 -19.880 -1.123 1.00 51.24 H new ATOM 0 HZ2 LYS A 53 9.315 -19.800 -2.420 1.00 51.24 H new ATOM 0 HZ3 LYS A 53 9.139 -18.753 -1.095 1.00 51.24 H new ATOM 104 N MET A 54 6.688 -17.154 3.269 1.00 41.20 N ATOM 105 CA MET A 54 6.512 -17.039 4.709 1.00 40.22 C ATOM 106 C MET A 54 5.797 -15.742 5.065 1.00 45.52 C ATOM 107 O MET A 54 6.312 -14.648 4.827 1.00 52.33 O ATOM 108 CB MET A 54 7.864 -17.115 5.422 1.00 42.21 C ATOM 109 CG MET A 54 7.785 -16.837 6.916 1.00 54.11 C ATOM 110 SD MET A 54 6.616 -17.909 7.770 1.00 3.52 S ATOM 111 CE MET A 54 7.365 -19.512 7.494 1.00 34.41 C ATOM 0 H MET A 54 7.625 -16.922 2.939 1.00 41.20 H new ATOM 0 HA MET A 54 5.895 -17.873 5.043 1.00 40.22 H new ATOM 0 HB2 MET A 54 8.291 -18.106 5.268 1.00 42.21 H new ATOM 0 HB3 MET A 54 8.547 -16.399 4.964 1.00 42.21 H new ATOM 0 HG2 MET A 54 8.774 -16.963 7.356 1.00 54.11 H new ATOM 0 HG3 MET A 54 7.497 -15.797 7.072 1.00 54.11 H new ATOM 0 HE1 MET A 54 6.885 -20.253 8.133 1.00 34.41 H new ATOM 0 HE2 MET A 54 7.239 -19.798 6.450 1.00 34.41 H new ATOM 0 HE3 MET A 54 8.428 -19.463 7.731 1.00 34.41 H new ATOM 121 N CYS A 55 4.603 -15.873 5.620 1.00 70.02 N ATOM 122 CA CYS A 55 3.821 -14.718 6.031 1.00 24.11 C ATOM 123 C CYS A 55 3.508 -14.779 7.525 1.00 34.22 C ATOM 124 O CYS A 55 2.703 -13.998 8.032 1.00 40.43 O ATOM 125 CB CYS A 55 2.526 -14.653 5.221 1.00 34.42 C ATOM 126 SG CYS A 55 1.604 -16.207 5.201 1.00 20.12 S ATOM 0 H CYS A 55 4.153 -16.771 5.797 1.00 70.02 H new ATOM 0 HA CYS A 55 4.406 -13.818 5.843 1.00 24.11 H new ATOM 0 HB2 CYS A 55 1.890 -13.869 5.631 1.00 34.42 H new ATOM 0 HB3 CYS A 55 2.763 -14.368 4.196 1.00 34.42 H new ATOM 0 HG CYS A 55 0.522 -16.061 4.495 1.00 20.12 H new ATOM 132 N LYS A 56 4.149 -15.716 8.223 1.00 54.04 N ATOM 133 CA LYS A 56 3.952 -15.874 9.663 1.00 61.44 C ATOM 134 C LYS A 56 4.944 -15.014 10.433 1.00 73.41 C ATOM 135 O LYS A 56 4.831 -14.849 11.647 1.00 72.12 O ATOM 136 CB LYS A 56 4.092 -17.343 10.091 1.00 5.24 C ATOM 137 CG LYS A 56 2.894 -18.222 9.745 1.00 53.10 C ATOM 138 CD LYS A 56 2.698 -18.363 8.243 1.00 72.32 C ATOM 139 CE LYS A 56 1.605 -19.365 7.913 1.00 22.52 C ATOM 140 NZ LYS A 56 1.388 -19.493 6.448 1.00 11.23 N ATOM 0 H LYS A 56 4.809 -16.377 7.814 1.00 54.04 H new ATOM 0 HA LYS A 56 2.938 -15.547 9.895 1.00 61.44 H new ATOM 0 HB2 LYS A 56 4.981 -17.762 9.620 1.00 5.24 H new ATOM 0 HB3 LYS A 56 4.254 -17.380 11.168 1.00 5.24 H new ATOM 0 HG2 LYS A 56 3.031 -19.209 10.186 1.00 53.10 H new ATOM 0 HG3 LYS A 56 1.994 -17.797 10.189 1.00 53.10 H new ATOM 0 HD2 LYS A 56 2.444 -17.393 7.816 1.00 72.32 H new ATOM 0 HD3 LYS A 56 3.634 -18.679 7.782 1.00 72.32 H new ATOM 0 HE2 LYS A 56 1.869 -20.338 8.326 1.00 22.52 H new ATOM 0 HE3 LYS A 56 0.675 -19.057 8.391 1.00 22.52 H new ATOM 0 HZ1 LYS A 56 0.448 -19.901 6.271 1.00 11.23 H new ATOM 0 HZ2 LYS A 56 1.447 -18.554 6.005 1.00 11.23 H new ATOM 0 HZ3 LYS A 56 2.117 -20.114 6.042 1.00 11.23 H new ATOM 154 N GLU A 57 5.922 -14.477 9.720 1.00 53.42 N ATOM 155 CA GLU A 57 6.873 -13.554 10.312 1.00 63.31 C ATOM 156 C GLU A 57 6.274 -12.155 10.332 1.00 73.32 C ATOM 157 O GLU A 57 5.775 -11.666 9.317 1.00 42.43 O ATOM 158 CB GLU A 57 8.200 -13.569 9.551 1.00 14.41 C ATOM 159 CG GLU A 57 8.048 -13.475 8.043 1.00 70.25 C ATOM 160 CD GLU A 57 9.380 -13.443 7.330 1.00 64.32 C ATOM 161 OE1 GLU A 57 9.950 -14.524 7.068 1.00 21.33 O ATOM 162 OE2 GLU A 57 9.863 -12.334 7.021 1.00 31.23 O ATOM 0 H GLU A 57 6.077 -14.666 8.730 1.00 53.42 H new ATOM 0 HA GLU A 57 7.081 -13.868 11.335 1.00 63.31 H new ATOM 0 HB2 GLU A 57 8.815 -12.738 9.896 1.00 14.41 H new ATOM 0 HB3 GLU A 57 8.737 -14.486 9.795 1.00 14.41 H new ATOM 0 HG2 GLU A 57 7.468 -14.326 7.685 1.00 70.25 H new ATOM 0 HG3 GLU A 57 7.484 -12.577 7.793 1.00 70.25 H new ATOM 169 N ARG A 58 6.321 -11.522 11.489 1.00 61.31 N ATOM 170 CA ARG A 58 5.610 -10.270 11.706 1.00 63.34 C ATOM 171 C ARG A 58 6.457 -9.074 11.301 1.00 51.35 C ATOM 172 O ARG A 58 5.968 -8.154 10.639 1.00 73.04 O ATOM 173 CB ARG A 58 5.226 -10.129 13.184 1.00 42.53 C ATOM 174 CG ARG A 58 4.748 -11.423 13.821 1.00 33.00 C ATOM 175 CD ARG A 58 3.481 -11.950 13.171 1.00 13.02 C ATOM 176 NE ARG A 58 3.219 -13.331 13.570 1.00 53.13 N ATOM 177 CZ ARG A 58 2.026 -13.916 13.530 1.00 61.34 C ATOM 178 NH1 ARG A 58 0.953 -13.234 13.152 1.00 15.40 N ATOM 179 NH2 ARG A 58 1.902 -15.186 13.888 1.00 30.11 N ATOM 0 H ARG A 58 6.846 -11.854 12.298 1.00 61.31 H new ATOM 0 HA ARG A 58 4.713 -10.291 11.087 1.00 63.34 H new ATOM 0 HB2 ARG A 58 6.087 -9.758 13.740 1.00 42.53 H new ATOM 0 HB3 ARG A 58 4.441 -9.379 13.275 1.00 42.53 H new ATOM 0 HG2 ARG A 58 5.533 -12.175 13.744 1.00 33.00 H new ATOM 0 HG3 ARG A 58 4.567 -11.258 14.883 1.00 33.00 H new ATOM 0 HD2 ARG A 58 2.636 -11.321 13.451 1.00 13.02 H new ATOM 0 HD3 ARG A 58 3.574 -11.893 12.087 1.00 13.02 H new ATOM 0 HE ARG A 58 4.008 -13.886 13.903 1.00 53.13 H new ATOM 0 HH11 ARG A 58 1.039 -12.252 12.889 1.00 15.40 H new ATOM 0 HH12 ARG A 58 0.042 -13.691 13.124 1.00 15.40 H new ATOM 0 HH21 ARG A 58 2.721 -15.712 14.193 1.00 30.11 H new ATOM 0 HH22 ARG A 58 0.988 -15.637 13.858 1.00 30.11 H new ATOM 193 N ILE A 59 7.729 -9.104 11.699 1.00 25.52 N ATOM 194 CA ILE A 59 8.602 -7.939 11.606 1.00 62.30 C ATOM 195 C ILE A 59 7.918 -6.771 12.316 1.00 63.33 C ATOM 196 O ILE A 59 7.363 -5.869 11.680 1.00 71.50 O ATOM 197 CB ILE A 59 8.946 -7.561 10.142 1.00 4.20 C ATOM 198 CG1 ILE A 59 9.502 -8.775 9.393 1.00 42.04 C ATOM 199 CG2 ILE A 59 9.948 -6.411 10.099 1.00 44.15 C ATOM 200 CD1 ILE A 59 10.786 -9.309 9.981 1.00 32.25 C ATOM 0 H ILE A 59 8.178 -9.931 12.092 1.00 25.52 H new ATOM 0 HA ILE A 59 9.551 -8.180 12.085 1.00 62.30 H new ATOM 0 HB ILE A 59 8.029 -7.236 9.651 1.00 4.20 H new ATOM 0 HG12 ILE A 59 8.754 -9.567 9.395 1.00 42.04 H new ATOM 0 HG13 ILE A 59 9.674 -8.502 8.352 1.00 42.04 H new ATOM 0 HG21 ILE A 59 10.174 -6.164 9.062 1.00 44.15 H new ATOM 0 HG22 ILE A 59 9.523 -5.539 10.596 1.00 44.15 H new ATOM 0 HG23 ILE A 59 10.864 -6.708 10.609 1.00 44.15 H new ATOM 0 HD11 ILE A 59 11.122 -10.168 9.401 1.00 32.25 H new ATOM 0 HD12 ILE A 59 11.549 -8.532 9.954 1.00 32.25 H new ATOM 0 HD13 ILE A 59 10.614 -9.613 11.013 1.00 32.25 H new ATOM 212 N PRO A 60 7.903 -6.822 13.659 1.00 73.02 N ATOM 213 CA PRO A 60 7.117 -5.904 14.490 1.00 12.24 C ATOM 214 C PRO A 60 7.509 -4.447 14.312 1.00 1.43 C ATOM 215 O PRO A 60 8.506 -3.980 14.868 1.00 11.01 O ATOM 216 CB PRO A 60 7.402 -6.365 15.920 1.00 51.22 C ATOM 217 CG PRO A 60 7.914 -7.757 15.782 1.00 13.11 C ATOM 218 CD PRO A 60 8.654 -7.786 14.479 1.00 11.33 C ATOM 0 HA PRO A 60 6.062 -5.938 14.219 1.00 12.24 H new ATOM 0 HB2 PRO A 60 8.136 -5.721 16.403 1.00 51.22 H new ATOM 0 HB3 PRO A 60 6.500 -6.335 16.531 1.00 51.22 H new ATOM 0 HG2 PRO A 60 8.571 -8.017 16.612 1.00 13.11 H new ATOM 0 HG3 PRO A 60 7.096 -8.478 15.785 1.00 13.11 H new ATOM 0 HD2 PRO A 60 9.696 -7.490 14.599 1.00 11.33 H new ATOM 0 HD3 PRO A 60 8.654 -8.782 14.035 1.00 11.33 H new ATOM 226 N GLN A 61 6.720 -3.742 13.516 1.00 25.22 N ATOM 227 CA GLN A 61 6.914 -2.322 13.292 1.00 44.15 C ATOM 228 C GLN A 61 5.563 -1.628 13.196 1.00 41.23 C ATOM 229 O GLN A 61 5.002 -1.496 12.105 1.00 21.30 O ATOM 230 CB GLN A 61 7.721 -2.058 12.015 1.00 25.02 C ATOM 231 CG GLN A 61 9.123 -2.648 12.027 1.00 70.31 C ATOM 232 CD GLN A 61 9.944 -2.215 10.830 1.00 51.23 C ATOM 233 OE1 GLN A 61 9.925 -2.860 9.782 1.00 13.15 O ATOM 234 NE2 GLN A 61 10.678 -1.124 10.983 1.00 42.21 N ATOM 0 H GLN A 61 5.929 -4.139 13.009 1.00 25.22 H new ATOM 0 HA GLN A 61 7.477 -1.923 14.135 1.00 44.15 H new ATOM 0 HB2 GLN A 61 7.175 -2.465 11.164 1.00 25.02 H new ATOM 0 HB3 GLN A 61 7.794 -0.981 11.861 1.00 25.02 H new ATOM 0 HG2 GLN A 61 9.633 -2.346 12.942 1.00 70.31 H new ATOM 0 HG3 GLN A 61 9.056 -3.736 12.043 1.00 70.31 H new ATOM 0 HE21 GLN A 61 10.664 -0.620 11.870 1.00 42.21 H new ATOM 0 HE22 GLN A 61 11.258 -0.788 10.214 1.00 42.21 H new ATOM 243 N PRO A 62 4.993 -1.235 14.346 1.00 33.11 N ATOM 244 CA PRO A 62 3.751 -0.463 14.396 1.00 23.43 C ATOM 245 C PRO A 62 3.974 0.975 13.946 1.00 62.44 C ATOM 246 O PRO A 62 5.055 1.310 13.457 1.00 50.25 O ATOM 247 CB PRO A 62 3.347 -0.505 15.878 1.00 31.21 C ATOM 248 CG PRO A 62 4.243 -1.517 16.511 1.00 44.11 C ATOM 249 CD PRO A 62 5.495 -1.532 15.689 1.00 62.54 C ATOM 0 HA PRO A 62 2.987 -0.869 13.733 1.00 23.43 H new ATOM 0 HB2 PRO A 62 3.468 0.472 16.345 1.00 31.21 H new ATOM 0 HB3 PRO A 62 2.299 -0.784 15.991 1.00 31.21 H new ATOM 0 HG2 PRO A 62 4.459 -1.253 17.546 1.00 44.11 H new ATOM 0 HG3 PRO A 62 3.773 -2.500 16.524 1.00 44.11 H new ATOM 0 HD2 PRO A 62 6.213 -0.785 16.029 1.00 62.54 H new ATOM 0 HD3 PRO A 62 5.997 -2.499 15.731 1.00 62.54 H new ATOM 257 N LYS A 63 2.955 1.823 14.128 1.00 61.41 N ATOM 258 CA LYS A 63 3.017 3.224 13.696 1.00 51.13 C ATOM 259 C LYS A 63 3.051 3.292 12.169 1.00 30.35 C ATOM 260 O LYS A 63 3.482 4.280 11.573 1.00 43.45 O ATOM 261 CB LYS A 63 4.241 3.921 14.306 1.00 1.11 C ATOM 262 CG LYS A 63 4.282 3.849 15.825 1.00 32.51 C ATOM 263 CD LYS A 63 5.604 4.353 16.377 1.00 42.11 C ATOM 264 CE LYS A 63 5.619 4.312 17.896 1.00 21.23 C ATOM 265 NZ LYS A 63 4.564 5.181 18.490 1.00 2.00 N ATOM 0 H LYS A 63 2.075 1.562 14.573 1.00 61.41 H new ATOM 0 HA LYS A 63 2.127 3.746 14.047 1.00 51.13 H new ATOM 0 HB2 LYS A 63 5.147 3.467 13.903 1.00 1.11 H new ATOM 0 HB3 LYS A 63 4.245 4.967 13.999 1.00 1.11 H new ATOM 0 HG2 LYS A 63 3.466 4.441 16.239 1.00 32.51 H new ATOM 0 HG3 LYS A 63 4.123 2.819 16.145 1.00 32.51 H new ATOM 0 HD2 LYS A 63 6.419 3.744 15.986 1.00 42.11 H new ATOM 0 HD3 LYS A 63 5.777 5.374 16.037 1.00 42.11 H new ATOM 0 HE2 LYS A 63 5.474 3.285 18.232 1.00 21.23 H new ATOM 0 HE3 LYS A 63 6.597 4.631 18.257 1.00 21.23 H new ATOM 0 HZ1 LYS A 63 4.763 5.327 19.500 1.00 2.00 H new ATOM 0 HZ2 LYS A 63 4.556 6.100 18.003 1.00 2.00 H new ATOM 0 HZ3 LYS A 63 3.636 4.724 18.382 1.00 2.00 H new ATOM 279 N ASN A 64 2.559 2.224 11.558 1.00 4.22 N ATOM 280 CA ASN A 64 2.521 2.084 10.113 1.00 54.05 C ATOM 281 C ASN A 64 1.253 2.696 9.542 1.00 64.21 C ATOM 282 O ASN A 64 0.185 2.662 10.157 1.00 63.31 O ATOM 283 CB ASN A 64 2.644 0.605 9.716 1.00 43.03 C ATOM 284 CG ASN A 64 1.668 -0.314 10.438 1.00 11.32 C ATOM 285 OD1 ASN A 64 1.236 -0.051 11.560 1.00 53.12 O ATOM 286 ND2 ASN A 64 1.328 -1.419 9.802 1.00 54.43 N ATOM 0 H ASN A 64 2.172 1.424 12.058 1.00 4.22 H new ATOM 0 HA ASN A 64 3.369 2.624 9.693 1.00 54.05 H new ATOM 0 HB2 ASN A 64 2.486 0.514 8.641 1.00 43.03 H new ATOM 0 HB3 ASN A 64 3.661 0.269 9.918 1.00 43.03 H new ATOM 0 HD21 ASN A 64 0.690 -2.084 10.240 1.00 54.43 H new ATOM 0 HD22 ASN A 64 1.703 -1.609 8.873 1.00 54.43 H new ATOM 293 N THR A 65 1.392 3.252 8.355 1.00 74.14 N ATOM 294 CA THR A 65 0.329 3.979 7.688 1.00 64.11 C ATOM 295 C THR A 65 -0.893 3.104 7.412 1.00 5.14 C ATOM 296 O THR A 65 -2.017 3.602 7.357 1.00 71.11 O ATOM 297 CB THR A 65 0.868 4.532 6.368 1.00 2.42 C ATOM 298 OG1 THR A 65 1.514 3.469 5.666 1.00 24.54 O ATOM 299 CG2 THR A 65 1.865 5.655 6.615 1.00 43.31 C ATOM 0 H THR A 65 2.259 3.211 7.819 1.00 74.14 H new ATOM 0 HA THR A 65 0.006 4.784 8.348 1.00 64.11 H new ATOM 0 HB THR A 65 0.041 4.935 5.783 1.00 2.42 H new ATOM 0 HG1 THR A 65 1.548 3.681 4.710 1.00 24.54 H new ATOM 0 HG21 THR A 65 2.233 6.031 5.661 1.00 43.31 H new ATOM 0 HG22 THR A 65 1.376 6.463 7.159 1.00 43.31 H new ATOM 0 HG23 THR A 65 2.701 5.276 7.203 1.00 43.31 H new ATOM 307 N VAL A 66 -0.675 1.800 7.245 1.00 75.42 N ATOM 308 CA VAL A 66 -1.774 0.890 6.934 1.00 31.32 C ATOM 309 C VAL A 66 -2.751 0.822 8.103 1.00 22.02 C ATOM 310 O VAL A 66 -3.952 0.623 7.916 1.00 54.31 O ATOM 311 CB VAL A 66 -1.284 -0.535 6.563 1.00 64.44 C ATOM 312 CG1 VAL A 66 -0.035 -0.468 5.704 1.00 52.43 C ATOM 313 CG2 VAL A 66 -1.040 -1.397 7.793 1.00 4.11 C ATOM 0 H VAL A 66 0.240 1.356 7.319 1.00 75.42 H new ATOM 0 HA VAL A 66 -2.281 1.292 6.057 1.00 31.32 H new ATOM 0 HB VAL A 66 -2.081 -1.007 5.989 1.00 64.44 H new ATOM 0 HG11 VAL A 66 0.291 -1.478 5.456 1.00 52.43 H new ATOM 0 HG12 VAL A 66 -0.253 0.078 4.786 1.00 52.43 H new ATOM 0 HG13 VAL A 66 0.756 0.044 6.252 1.00 52.43 H new ATOM 0 HG21 VAL A 66 -0.699 -2.385 7.483 1.00 4.11 H new ATOM 0 HG22 VAL A 66 -0.280 -0.930 8.419 1.00 4.11 H new ATOM 0 HG23 VAL A 66 -1.967 -1.494 8.359 1.00 4.11 H new ATOM 323 N ALA A 67 -2.228 1.013 9.308 1.00 2.42 N ATOM 324 CA ALA A 67 -3.053 1.042 10.501 1.00 34.20 C ATOM 325 C ALA A 67 -3.840 2.346 10.541 1.00 52.22 C ATOM 326 O ALA A 67 -5.018 2.367 10.888 1.00 33.41 O ATOM 327 CB ALA A 67 -2.181 0.888 11.740 1.00 13.41 C ATOM 0 H ALA A 67 -1.232 1.150 9.481 1.00 2.42 H new ATOM 0 HA ALA A 67 -3.759 0.212 10.481 1.00 34.20 H new ATOM 0 HB1 ALA A 67 -2.808 0.911 12.631 1.00 13.41 H new ATOM 0 HB2 ALA A 67 -1.649 -0.062 11.695 1.00 13.41 H new ATOM 0 HB3 ALA A 67 -1.461 1.705 11.782 1.00 13.41 H new ATOM 333 N MET A 68 -3.170 3.422 10.140 1.00 33.40 N ATOM 334 CA MET A 68 -3.785 4.743 10.042 1.00 14.42 C ATOM 335 C MET A 68 -4.991 4.707 9.109 1.00 72.22 C ATOM 336 O MET A 68 -6.056 5.232 9.434 1.00 71.35 O ATOM 337 CB MET A 68 -2.763 5.755 9.519 1.00 24.41 C ATOM 338 CG MET A 68 -1.566 5.956 10.433 1.00 42.33 C ATOM 339 SD MET A 68 -1.941 7.014 11.839 1.00 65.04 S ATOM 340 CE MET A 68 -2.342 8.538 10.987 1.00 21.31 C ATOM 0 H MET A 68 -2.186 3.404 9.874 1.00 33.40 H new ATOM 0 HA MET A 68 -4.119 5.042 11.035 1.00 14.42 H new ATOM 0 HB2 MET A 68 -2.409 5.426 8.542 1.00 24.41 H new ATOM 0 HB3 MET A 68 -3.260 6.714 9.372 1.00 24.41 H new ATOM 0 HG2 MET A 68 -1.222 4.987 10.794 1.00 42.33 H new ATOM 0 HG3 MET A 68 -0.747 6.393 9.862 1.00 42.33 H new ATOM 0 HE1 MET A 68 -1.895 9.379 11.517 1.00 21.31 H new ATOM 0 HE2 MET A 68 -1.951 8.500 9.970 1.00 21.31 H new ATOM 0 HE3 MET A 68 -3.424 8.663 10.955 1.00 21.31 H new ATOM 350 N LEU A 69 -4.811 4.080 7.950 1.00 12.21 N ATOM 351 CA LEU A 69 -5.875 3.960 6.962 1.00 22.24 C ATOM 352 C LEU A 69 -7.087 3.234 7.534 1.00 52.35 C ATOM 353 O LEU A 69 -8.227 3.594 7.243 1.00 21.44 O ATOM 354 CB LEU A 69 -5.368 3.218 5.727 1.00 24.24 C ATOM 355 CG LEU A 69 -5.510 3.984 4.412 1.00 50.03 C ATOM 356 CD1 LEU A 69 -5.034 3.137 3.244 1.00 63.21 C ATOM 357 CD2 LEU A 69 -6.952 4.420 4.197 1.00 43.13 C ATOM 0 H LEU A 69 -3.931 3.645 7.672 1.00 12.21 H new ATOM 0 HA LEU A 69 -6.181 4.968 6.682 1.00 22.24 H new ATOM 0 HB2 LEU A 69 -4.317 2.972 5.875 1.00 24.24 H new ATOM 0 HB3 LEU A 69 -5.907 2.275 5.641 1.00 24.24 H new ATOM 0 HG LEU A 69 -4.885 4.875 4.469 1.00 50.03 H new ATOM 0 HD11 LEU A 69 -5.143 3.701 2.317 1.00 63.21 H new ATOM 0 HD12 LEU A 69 -3.986 2.875 3.388 1.00 63.21 H new ATOM 0 HD13 LEU A 69 -5.631 2.227 3.188 1.00 63.21 H new ATOM 0 HD21 LEU A 69 -7.031 4.964 3.256 1.00 43.13 H new ATOM 0 HD22 LEU A 69 -7.597 3.542 4.164 1.00 43.13 H new ATOM 0 HD23 LEU A 69 -7.262 5.068 5.017 1.00 43.13 H new ATOM 369 N ASN A 70 -6.837 2.235 8.376 1.00 23.22 N ATOM 370 CA ASN A 70 -7.915 1.442 8.961 1.00 52.12 C ATOM 371 C ASN A 70 -8.698 2.263 9.974 1.00 72.25 C ATOM 372 O ASN A 70 -9.837 1.940 10.307 1.00 10.24 O ATOM 373 CB ASN A 70 -7.374 0.171 9.621 1.00 71.22 C ATOM 374 CG ASN A 70 -7.201 -0.971 8.637 1.00 11.53 C ATOM 375 OD1 ASN A 70 -8.134 -1.734 8.390 1.00 33.45 O ATOM 376 ND2 ASN A 70 -6.011 -1.109 8.075 1.00 52.11 N ATOM 0 H ASN A 70 -5.900 1.956 8.668 1.00 23.22 H new ATOM 0 HA ASN A 70 -8.584 1.149 8.152 1.00 52.12 H new ATOM 0 HB2 ASN A 70 -6.415 0.390 10.090 1.00 71.22 H new ATOM 0 HB3 ASN A 70 -8.053 -0.139 10.415 1.00 71.22 H new ATOM 0 HD21 ASN A 70 -5.844 -1.867 7.413 1.00 52.11 H new ATOM 0 HD22 ASN A 70 -5.260 -0.457 8.304 1.00 52.11 H new ATOM 383 N GLU A 71 -8.080 3.327 10.456 1.00 63.03 N ATOM 384 CA GLU A 71 -8.732 4.239 11.381 1.00 23.11 C ATOM 385 C GLU A 71 -9.557 5.267 10.620 1.00 41.33 C ATOM 386 O GLU A 71 -10.474 5.879 11.168 1.00 43.13 O ATOM 387 CB GLU A 71 -7.677 4.939 12.229 1.00 40.34 C ATOM 388 CG GLU A 71 -6.765 3.968 12.946 1.00 52.25 C ATOM 389 CD GLU A 71 -7.433 3.312 14.136 1.00 63.33 C ATOM 390 OE1 GLU A 71 -8.331 2.467 13.932 1.00 3.05 O ATOM 391 OE2 GLU A 71 -7.058 3.630 15.283 1.00 74.20 O ATOM 0 H GLU A 71 -7.121 3.582 10.220 1.00 63.03 H new ATOM 0 HA GLU A 71 -9.401 3.672 12.029 1.00 23.11 H new ATOM 0 HB2 GLU A 71 -7.079 5.590 11.592 1.00 40.34 H new ATOM 0 HB3 GLU A 71 -8.171 5.576 12.962 1.00 40.34 H new ATOM 0 HG2 GLU A 71 -6.439 3.198 12.247 1.00 52.25 H new ATOM 0 HG3 GLU A 71 -5.871 4.494 13.280 1.00 52.25 H new ATOM 398 N LEU A 72 -9.223 5.450 9.352 1.00 52.51 N ATOM 399 CA LEU A 72 -9.903 6.424 8.511 1.00 12.14 C ATOM 400 C LEU A 72 -11.091 5.797 7.781 1.00 12.43 C ATOM 401 O LEU A 72 -12.247 6.053 8.117 1.00 3.20 O ATOM 402 CB LEU A 72 -8.929 7.025 7.490 1.00 71.21 C ATOM 403 CG LEU A 72 -7.724 7.759 8.081 1.00 31.32 C ATOM 404 CD1 LEU A 72 -6.848 8.313 6.970 1.00 74.21 C ATOM 405 CD2 LEU A 72 -8.173 8.874 9.012 1.00 74.32 C ATOM 0 H LEU A 72 -8.481 4.934 8.880 1.00 52.51 H new ATOM 0 HA LEU A 72 -10.277 7.215 9.161 1.00 12.14 H new ATOM 0 HB2 LEU A 72 -8.565 6.224 6.847 1.00 71.21 H new ATOM 0 HB3 LEU A 72 -9.479 7.719 6.854 1.00 71.21 H new ATOM 0 HG LEU A 72 -7.140 7.046 8.663 1.00 31.32 H new ATOM 0 HD11 LEU A 72 -5.994 8.833 7.405 1.00 74.21 H new ATOM 0 HD12 LEU A 72 -6.494 7.494 6.343 1.00 74.21 H new ATOM 0 HD13 LEU A 72 -7.427 9.010 6.364 1.00 74.21 H new ATOM 0 HD21 LEU A 72 -7.299 9.381 9.420 1.00 74.32 H new ATOM 0 HD22 LEU A 72 -8.781 9.588 8.457 1.00 74.32 H new ATOM 0 HD23 LEU A 72 -8.761 8.453 9.827 1.00 74.32 H new ATOM 417 N ARG A 73 -10.798 4.954 6.797 1.00 64.00 N ATOM 418 CA ARG A 73 -11.829 4.412 5.918 1.00 71.03 C ATOM 419 C ARG A 73 -11.729 2.897 5.837 1.00 10.24 C ATOM 420 O ARG A 73 -10.631 2.343 5.777 1.00 74.11 O ATOM 421 CB ARG A 73 -11.689 5.005 4.508 1.00 13.45 C ATOM 422 CG ARG A 73 -11.823 6.520 4.459 1.00 71.44 C ATOM 423 CD ARG A 73 -13.246 6.969 4.744 1.00 13.12 C ATOM 424 NE ARG A 73 -14.147 6.678 3.629 1.00 1.44 N ATOM 425 CZ ARG A 73 -15.476 6.745 3.702 1.00 71.43 C ATOM 426 NH1 ARG A 73 -16.077 7.025 4.853 1.00 61.32 N ATOM 427 NH2 ARG A 73 -16.205 6.516 2.621 1.00 61.10 N ATOM 0 H ARG A 73 -9.854 4.630 6.587 1.00 64.00 H new ATOM 0 HA ARG A 73 -12.800 4.681 6.333 1.00 71.03 H new ATOM 0 HB2 ARG A 73 -10.718 4.723 4.101 1.00 13.45 H new ATOM 0 HB3 ARG A 73 -12.447 4.562 3.862 1.00 13.45 H new ATOM 0 HG2 ARG A 73 -11.147 6.969 5.187 1.00 71.44 H new ATOM 0 HG3 ARG A 73 -11.518 6.881 3.477 1.00 71.44 H new ATOM 0 HD2 ARG A 73 -13.610 6.472 5.643 1.00 13.12 H new ATOM 0 HD3 ARG A 73 -13.254 8.040 4.947 1.00 13.12 H new ATOM 0 HE ARG A 73 -13.731 6.406 2.738 1.00 1.44 H new ATOM 0 HH11 ARG A 73 -15.521 7.191 5.692 1.00 61.32 H new ATOM 0 HH12 ARG A 73 -17.095 7.074 4.898 1.00 61.32 H new ATOM 0 HH21 ARG A 73 -15.749 6.289 1.737 1.00 61.10 H new ATOM 0 HH22 ARG A 73 -17.222 6.566 2.672 1.00 61.10 H new ATOM 441 N HIS A 74 -12.871 2.229 5.846 1.00 35.13 N ATOM 442 CA HIS A 74 -12.901 0.793 5.628 1.00 0.23 C ATOM 443 C HIS A 74 -13.134 0.510 4.148 1.00 64.14 C ATOM 444 O HIS A 74 -13.399 1.429 3.371 1.00 14.32 O ATOM 445 CB HIS A 74 -13.970 0.112 6.501 1.00 53.42 C ATOM 446 CG HIS A 74 -15.388 0.513 6.216 1.00 4.31 C ATOM 447 ND1 HIS A 74 -16.201 1.154 7.125 1.00 44.22 N ATOM 448 CD2 HIS A 74 -16.153 0.303 5.115 1.00 54.04 C ATOM 449 CE1 HIS A 74 -17.407 1.307 6.563 1.00 20.20 C ATOM 450 NE2 HIS A 74 -17.429 0.805 5.341 1.00 71.34 N ATOM 0 H HIS A 74 -13.784 2.656 6.001 1.00 35.13 H new ATOM 0 HA HIS A 74 -11.939 0.374 5.923 1.00 0.23 H new ATOM 0 HB2 HIS A 74 -13.884 -0.967 6.375 1.00 53.42 H new ATOM 0 HB3 HIS A 74 -13.753 0.329 7.547 1.00 53.42 H new ATOM 0 HD2 HIS A 74 -15.822 -0.178 4.206 1.00 54.04 H new ATOM 0 HE1 HIS A 74 -18.250 1.779 7.045 1.00 20.20 H new ATOM 0 HE2 HIS A 74 -18.219 0.789 4.697 1.00 71.34 H new ATOM 458 N GLY A 75 -13.031 -0.750 3.761 1.00 72.31 N ATOM 459 CA GLY A 75 -13.169 -1.103 2.365 1.00 13.01 C ATOM 460 C GLY A 75 -11.833 -1.056 1.658 1.00 15.53 C ATOM 461 O GLY A 75 -11.761 -1.132 0.435 1.00 64.31 O ATOM 0 H GLY A 75 -12.854 -1.535 4.388 1.00 72.31 H new ATOM 0 HA2 GLY A 75 -13.594 -2.103 2.280 1.00 13.01 H new ATOM 0 HA3 GLY A 75 -13.865 -0.418 1.880 1.00 13.01 H new ATOM 465 N LEU A 76 -10.774 -0.934 2.446 1.00 71.34 N ATOM 466 CA LEU A 76 -9.420 -0.851 1.927 1.00 42.41 C ATOM 467 C LEU A 76 -8.857 -2.247 1.689 1.00 74.13 C ATOM 468 O LEU A 76 -8.724 -3.050 2.617 1.00 24.00 O ATOM 469 CB LEU A 76 -8.507 -0.055 2.884 1.00 70.23 C ATOM 470 CG LEU A 76 -8.250 -0.664 4.277 1.00 72.53 C ATOM 471 CD1 LEU A 76 -7.173 0.128 4.996 1.00 43.54 C ATOM 472 CD2 LEU A 76 -9.514 -0.686 5.125 1.00 13.44 C ATOM 0 H LEU A 76 -10.832 -0.890 3.463 1.00 71.34 H new ATOM 0 HA LEU A 76 -9.453 -0.321 0.975 1.00 42.41 H new ATOM 0 HB2 LEU A 76 -7.544 0.086 2.394 1.00 70.23 H new ATOM 0 HB3 LEU A 76 -8.943 0.935 3.022 1.00 70.23 H new ATOM 0 HG LEU A 76 -7.922 -1.693 4.132 1.00 72.53 H new ATOM 0 HD11 LEU A 76 -6.996 -0.308 5.979 1.00 43.54 H new ATOM 0 HD12 LEU A 76 -6.251 0.099 4.415 1.00 43.54 H new ATOM 0 HD13 LEU A 76 -7.497 1.162 5.110 1.00 43.54 H new ATOM 0 HD21 LEU A 76 -9.291 -1.122 6.099 1.00 13.44 H new ATOM 0 HD22 LEU A 76 -9.880 0.332 5.259 1.00 13.44 H new ATOM 0 HD23 LEU A 76 -10.277 -1.283 4.626 1.00 13.44 H new ATOM 484 N ILE A 77 -8.551 -2.545 0.439 1.00 34.25 N ATOM 485 CA ILE A 77 -7.999 -3.844 0.083 1.00 1.53 C ATOM 486 C ILE A 77 -6.536 -3.714 -0.306 1.00 44.43 C ATOM 487 O ILE A 77 -6.221 -3.124 -1.337 1.00 63.52 O ATOM 488 CB ILE A 77 -8.758 -4.500 -1.095 1.00 51.23 C ATOM 489 CG1 ILE A 77 -10.267 -4.511 -0.846 1.00 73.15 C ATOM 490 CG2 ILE A 77 -8.254 -5.917 -1.338 1.00 34.10 C ATOM 491 CD1 ILE A 77 -10.993 -3.381 -1.539 1.00 21.25 C ATOM 0 H ILE A 77 -8.674 -1.907 -0.347 1.00 34.25 H new ATOM 0 HA ILE A 77 -8.105 -4.476 0.965 1.00 1.53 H new ATOM 0 HB ILE A 77 -8.565 -3.902 -1.986 1.00 51.23 H new ATOM 0 HG12 ILE A 77 -10.678 -5.461 -1.187 1.00 73.15 H new ATOM 0 HG13 ILE A 77 -10.452 -4.450 0.226 1.00 73.15 H new ATOM 0 HG21 ILE A 77 -8.801 -6.360 -2.170 1.00 34.10 H new ATOM 0 HG22 ILE A 77 -7.191 -5.889 -1.576 1.00 34.10 H new ATOM 0 HG23 ILE A 77 -8.409 -6.517 -0.441 1.00 34.10 H new ATOM 0 HD11 ILE A 77 -12.059 -3.446 -1.322 1.00 21.25 H new ATOM 0 HD12 ILE A 77 -10.607 -2.427 -1.180 1.00 21.25 H new ATOM 0 HD13 ILE A 77 -10.837 -3.454 -2.615 1.00 21.25 H new ATOM 503 N TYR A 78 -5.647 -4.245 0.527 1.00 10.33 N ATOM 504 CA TYR A 78 -4.228 -4.290 0.192 1.00 30.45 C ATOM 505 C TYR A 78 -3.919 -5.564 -0.575 1.00 41.33 C ATOM 506 O TYR A 78 -3.929 -6.659 -0.011 1.00 4.54 O ATOM 507 CB TYR A 78 -3.348 -4.224 1.442 1.00 11.03 C ATOM 508 CG TYR A 78 -3.484 -2.948 2.230 1.00 42.24 C ATOM 509 CD1 TYR A 78 -2.715 -1.838 1.921 1.00 42.12 C ATOM 510 CD2 TYR A 78 -4.363 -2.867 3.294 1.00 74.10 C ATOM 511 CE1 TYR A 78 -2.819 -0.674 2.660 1.00 52.05 C ATOM 512 CE2 TYR A 78 -4.482 -1.712 4.034 1.00 74.15 C ATOM 513 CZ TYR A 78 -3.709 -0.616 3.716 1.00 62.13 C ATOM 514 OH TYR A 78 -3.819 0.535 4.462 1.00 63.34 O ATOM 0 H TYR A 78 -5.882 -4.648 1.434 1.00 10.33 H new ATOM 0 HA TYR A 78 -4.007 -3.419 -0.425 1.00 30.45 H new ATOM 0 HB2 TYR A 78 -3.594 -5.065 2.090 1.00 11.03 H new ATOM 0 HB3 TYR A 78 -2.306 -4.344 1.145 1.00 11.03 H new ATOM 0 HD1 TYR A 78 -2.025 -1.882 1.092 1.00 42.12 H new ATOM 0 HD2 TYR A 78 -4.967 -3.725 3.549 1.00 74.10 H new ATOM 0 HE1 TYR A 78 -2.210 0.183 2.414 1.00 52.05 H new ATOM 0 HE2 TYR A 78 -5.177 -1.665 4.859 1.00 74.15 H new ATOM 0 HH TYR A 78 -4.067 0.306 5.382 1.00 63.34 H new ATOM 524 N LYS A 79 -3.643 -5.416 -1.853 1.00 10.44 N ATOM 525 CA LYS A 79 -3.410 -6.553 -2.727 1.00 34.11 C ATOM 526 C LYS A 79 -2.093 -6.392 -3.475 1.00 44.24 C ATOM 527 O LYS A 79 -1.778 -5.312 -3.966 1.00 32.22 O ATOM 528 CB LYS A 79 -4.588 -6.701 -3.700 1.00 65.23 C ATOM 529 CG LYS A 79 -5.011 -5.389 -4.343 1.00 3.40 C ATOM 530 CD LYS A 79 -6.339 -5.510 -5.075 1.00 63.25 C ATOM 531 CE LYS A 79 -6.933 -4.138 -5.362 1.00 52.41 C ATOM 532 NZ LYS A 79 -8.206 -4.230 -6.127 1.00 71.42 N ATOM 0 H LYS A 79 -3.573 -4.510 -2.317 1.00 10.44 H new ATOM 0 HA LYS A 79 -3.338 -7.460 -2.127 1.00 34.11 H new ATOM 0 HB2 LYS A 79 -4.316 -7.409 -4.483 1.00 65.23 H new ATOM 0 HB3 LYS A 79 -5.438 -7.126 -3.167 1.00 65.23 H new ATOM 0 HG2 LYS A 79 -5.090 -4.619 -3.576 1.00 3.40 H new ATOM 0 HG3 LYS A 79 -4.241 -5.064 -5.042 1.00 3.40 H new ATOM 0 HD2 LYS A 79 -6.194 -6.050 -6.011 1.00 63.25 H new ATOM 0 HD3 LYS A 79 -7.037 -6.094 -4.475 1.00 63.25 H new ATOM 0 HE2 LYS A 79 -7.112 -3.617 -4.422 1.00 52.41 H new ATOM 0 HE3 LYS A 79 -6.214 -3.542 -5.925 1.00 52.41 H new ATOM 0 HZ1 LYS A 79 -8.603 -3.277 -6.257 1.00 71.42 H new ATOM 0 HZ2 LYS A 79 -8.022 -4.658 -7.057 1.00 71.42 H new ATOM 0 HZ3 LYS A 79 -8.884 -4.819 -5.603 1.00 71.42 H new ATOM 546 N LEU A 80 -1.309 -7.459 -3.526 1.00 55.25 N ATOM 547 CA LEU A 80 -0.047 -7.436 -4.247 1.00 61.20 C ATOM 548 C LEU A 80 -0.315 -7.594 -5.735 1.00 15.44 C ATOM 549 O LEU A 80 -0.507 -8.710 -6.223 1.00 35.23 O ATOM 550 CB LEU A 80 0.870 -8.558 -3.749 1.00 44.55 C ATOM 551 CG LEU A 80 2.279 -8.570 -4.349 1.00 42.41 C ATOM 552 CD1 LEU A 80 3.044 -7.323 -3.936 1.00 74.21 C ATOM 553 CD2 LEU A 80 3.030 -9.823 -3.923 1.00 53.55 C ATOM 0 H LEU A 80 -1.525 -8.349 -3.077 1.00 55.25 H new ATOM 0 HA LEU A 80 0.452 -6.483 -4.070 1.00 61.20 H new ATOM 0 HB2 LEU A 80 0.956 -8.480 -2.665 1.00 44.55 H new ATOM 0 HB3 LEU A 80 0.394 -9.515 -3.963 1.00 44.55 H new ATOM 0 HG LEU A 80 2.191 -8.575 -5.435 1.00 42.41 H new ATOM 0 HD11 LEU A 80 4.043 -7.348 -4.371 1.00 74.21 H new ATOM 0 HD12 LEU A 80 2.516 -6.438 -4.291 1.00 74.21 H new ATOM 0 HD13 LEU A 80 3.122 -7.287 -2.849 1.00 74.21 H new ATOM 0 HD21 LEU A 80 4.029 -9.814 -4.359 1.00 53.55 H new ATOM 0 HD22 LEU A 80 3.108 -9.848 -2.836 1.00 53.55 H new ATOM 0 HD23 LEU A 80 2.491 -10.705 -4.269 1.00 53.55 H new ATOM 565 N GLU A 81 -0.351 -6.479 -6.450 1.00 53.20 N ATOM 566 CA GLU A 81 -0.719 -6.513 -7.858 1.00 1.04 C ATOM 567 C GLU A 81 0.441 -6.986 -8.722 1.00 72.24 C ATOM 568 O GLU A 81 0.234 -7.574 -9.783 1.00 32.53 O ATOM 569 CB GLU A 81 -1.232 -5.154 -8.346 1.00 71.45 C ATOM 570 CG GLU A 81 -0.276 -3.995 -8.129 1.00 52.44 C ATOM 571 CD GLU A 81 -0.680 -2.777 -8.937 1.00 44.12 C ATOM 572 OE1 GLU A 81 -1.749 -2.193 -8.655 1.00 44.44 O ATOM 573 OE2 GLU A 81 0.056 -2.411 -9.879 1.00 11.41 O ATOM 0 H GLU A 81 -0.133 -5.552 -6.085 1.00 53.20 H new ATOM 0 HA GLU A 81 -1.534 -7.231 -7.955 1.00 1.04 H new ATOM 0 HB2 GLU A 81 -1.456 -5.227 -9.410 1.00 71.45 H new ATOM 0 HB3 GLU A 81 -2.170 -4.932 -7.838 1.00 71.45 H new ATOM 0 HG2 GLU A 81 -0.251 -3.737 -7.070 1.00 52.44 H new ATOM 0 HG3 GLU A 81 0.733 -4.298 -8.408 1.00 52.44 H new ATOM 580 N SER A 82 1.659 -6.734 -8.273 1.00 23.30 N ATOM 581 CA SER A 82 2.837 -7.163 -9.003 1.00 70.21 C ATOM 582 C SER A 82 4.001 -7.380 -8.048 1.00 51.11 C ATOM 583 O SER A 82 4.153 -6.651 -7.066 1.00 42.23 O ATOM 584 CB SER A 82 3.211 -6.124 -10.064 1.00 53.14 C ATOM 585 OG SER A 82 2.152 -5.925 -10.988 1.00 4.11 O ATOM 0 H SER A 82 1.857 -6.234 -7.406 1.00 23.30 H new ATOM 0 HA SER A 82 2.613 -8.107 -9.500 1.00 70.21 H new ATOM 0 HB2 SER A 82 3.456 -5.179 -9.580 1.00 53.14 H new ATOM 0 HB3 SER A 82 4.104 -6.450 -10.596 1.00 53.14 H new ATOM 0 HG SER A 82 2.419 -5.256 -11.652 1.00 4.11 H new ATOM 591 N GLN A 83 4.802 -8.395 -8.323 1.00 1.04 N ATOM 592 CA GLN A 83 5.988 -8.668 -7.530 1.00 23.24 C ATOM 593 C GLN A 83 7.179 -8.883 -8.456 1.00 41.52 C ATOM 594 O GLN A 83 7.135 -9.733 -9.347 1.00 43.24 O ATOM 595 CB GLN A 83 5.765 -9.887 -6.625 1.00 4.51 C ATOM 596 CG GLN A 83 6.830 -10.056 -5.547 1.00 50.12 C ATOM 597 CD GLN A 83 8.119 -10.677 -6.056 1.00 10.41 C ATOM 598 OE1 GLN A 83 8.104 -11.526 -6.947 1.00 62.43 O ATOM 599 NE2 GLN A 83 9.242 -10.238 -5.509 1.00 73.51 N ATOM 0 H GLN A 83 4.651 -9.046 -9.093 1.00 1.04 H new ATOM 0 HA GLN A 83 6.194 -7.813 -6.885 1.00 23.24 H new ATOM 0 HB2 GLN A 83 4.789 -9.800 -6.148 1.00 4.51 H new ATOM 0 HB3 GLN A 83 5.739 -10.786 -7.241 1.00 4.51 H new ATOM 0 HG2 GLN A 83 7.053 -9.081 -5.113 1.00 50.12 H new ATOM 0 HG3 GLN A 83 6.429 -10.677 -4.746 1.00 50.12 H new ATOM 0 HE21 GLN A 83 9.209 -9.533 -4.773 1.00 73.51 H new ATOM 0 HE22 GLN A 83 10.140 -10.605 -5.824 1.00 73.51 H new ATOM 608 N THR A 84 8.227 -8.097 -8.245 1.00 11.41 N ATOM 609 CA THR A 84 9.415 -8.131 -9.089 1.00 44.33 C ATOM 610 C THR A 84 10.662 -7.828 -8.257 1.00 52.01 C ATOM 611 O THR A 84 10.633 -7.922 -7.031 1.00 64.10 O ATOM 612 CB THR A 84 9.297 -7.091 -10.228 1.00 31.30 C ATOM 613 OG1 THR A 84 8.794 -5.850 -9.702 1.00 63.51 O ATOM 614 CG2 THR A 84 8.382 -7.583 -11.339 1.00 33.21 C ATOM 0 H THR A 84 8.278 -7.419 -7.485 1.00 11.41 H new ATOM 0 HA THR A 84 9.500 -9.128 -9.521 1.00 44.33 H new ATOM 0 HB THR A 84 10.291 -6.940 -10.650 1.00 31.30 H new ATOM 0 HG1 THR A 84 8.722 -5.193 -10.426 1.00 63.51 H new ATOM 0 HG21 THR A 84 8.322 -6.827 -12.122 1.00 33.21 H new ATOM 0 HG22 THR A 84 8.781 -8.508 -11.756 1.00 33.21 H new ATOM 0 HG23 THR A 84 7.386 -7.767 -10.936 1.00 33.21 H new ATOM 622 N GLY A 85 11.757 -7.493 -8.926 1.00 2.31 N ATOM 623 CA GLY A 85 12.931 -6.996 -8.238 1.00 24.43 C ATOM 624 C GLY A 85 14.018 -8.038 -8.091 1.00 40.22 C ATOM 625 O GLY A 85 13.838 -9.187 -8.501 1.00 12.21 O ATOM 0 H GLY A 85 11.853 -7.557 -9.939 1.00 2.31 H new ATOM 0 HA2 GLY A 85 13.328 -6.139 -8.782 1.00 24.43 H new ATOM 0 HA3 GLY A 85 12.642 -6.639 -7.249 1.00 24.43 H new ATOM 629 N PRO A 86 15.171 -7.646 -7.527 1.00 62.05 N ATOM 630 CA PRO A 86 16.274 -8.569 -7.231 1.00 22.11 C ATOM 631 C PRO A 86 15.956 -9.484 -6.051 1.00 74.02 C ATOM 632 O PRO A 86 14.840 -9.481 -5.540 1.00 52.21 O ATOM 633 CB PRO A 86 17.427 -7.627 -6.886 1.00 40.41 C ATOM 634 CG PRO A 86 16.767 -6.405 -6.358 1.00 22.10 C ATOM 635 CD PRO A 86 15.498 -6.257 -7.145 1.00 24.42 C ATOM 0 HA PRO A 86 16.488 -9.242 -8.062 1.00 22.11 H new ATOM 0 HB2 PRO A 86 18.093 -8.070 -6.145 1.00 40.41 H new ATOM 0 HB3 PRO A 86 18.032 -7.403 -7.764 1.00 40.41 H new ATOM 0 HG2 PRO A 86 16.558 -6.502 -5.293 1.00 22.10 H new ATOM 0 HG3 PRO A 86 17.407 -5.531 -6.479 1.00 22.10 H new ATOM 0 HD2 PRO A 86 14.705 -5.807 -6.548 1.00 24.42 H new ATOM 0 HD3 PRO A 86 15.639 -5.622 -8.020 1.00 24.42 H new ATOM 643 N VAL A 87 16.933 -10.266 -5.617 1.00 51.43 N ATOM 644 CA VAL A 87 16.733 -11.157 -4.482 1.00 2.32 C ATOM 645 C VAL A 87 17.231 -10.498 -3.199 1.00 53.13 C ATOM 646 O VAL A 87 16.735 -10.779 -2.104 1.00 15.13 O ATOM 647 CB VAL A 87 17.433 -12.523 -4.694 1.00 32.04 C ATOM 648 CG1 VAL A 87 18.947 -12.372 -4.764 1.00 61.31 C ATOM 649 CG2 VAL A 87 17.043 -13.510 -3.604 1.00 31.32 C ATOM 0 H VAL A 87 17.865 -10.303 -6.029 1.00 51.43 H new ATOM 0 HA VAL A 87 15.663 -11.346 -4.394 1.00 2.32 H new ATOM 0 HB VAL A 87 17.094 -12.917 -5.652 1.00 32.04 H new ATOM 0 HG11 VAL A 87 19.404 -13.350 -4.913 1.00 61.31 H new ATOM 0 HG12 VAL A 87 19.209 -11.718 -5.596 1.00 61.31 H new ATOM 0 HG13 VAL A 87 19.313 -11.939 -3.833 1.00 61.31 H new ATOM 0 HG21 VAL A 87 17.548 -14.461 -3.776 1.00 31.32 H new ATOM 0 HG22 VAL A 87 17.337 -13.114 -2.632 1.00 31.32 H new ATOM 0 HG23 VAL A 87 15.964 -13.664 -3.622 1.00 31.32 H new ATOM 659 N HIS A 88 18.192 -9.593 -3.344 1.00 41.41 N ATOM 660 CA HIS A 88 18.750 -8.895 -2.196 1.00 2.34 C ATOM 661 C HIS A 88 17.788 -7.815 -1.713 1.00 65.45 C ATOM 662 O HIS A 88 17.824 -7.418 -0.548 1.00 53.34 O ATOM 663 CB HIS A 88 20.129 -8.298 -2.531 1.00 4.14 C ATOM 664 CG HIS A 88 20.113 -7.161 -3.513 1.00 0.01 C ATOM 665 ND1 HIS A 88 20.218 -7.319 -4.877 1.00 31.23 N ATOM 666 CD2 HIS A 88 20.020 -5.823 -3.300 1.00 63.34 C ATOM 667 CE1 HIS A 88 20.187 -6.104 -5.437 1.00 41.42 C ATOM 668 NE2 HIS A 88 20.068 -5.161 -4.523 1.00 52.11 N ATOM 0 H HIS A 88 18.598 -9.328 -4.241 1.00 41.41 H new ATOM 0 HA HIS A 88 18.889 -9.615 -1.390 1.00 2.34 H new ATOM 0 HB2 HIS A 88 20.591 -7.952 -1.607 1.00 4.14 H new ATOM 0 HB3 HIS A 88 20.763 -9.091 -2.928 1.00 4.14 H new ATOM 0 HD2 HIS A 88 19.924 -5.348 -2.335 1.00 63.34 H new ATOM 0 HE1 HIS A 88 20.251 -5.920 -6.499 1.00 41.42 H new ATOM 0 HE2 HIS A 88 20.021 -4.154 -4.680 1.00 52.11 H new ATOM 676 N ALA A 89 16.915 -7.362 -2.610 1.00 4.42 N ATOM 677 CA ALA A 89 15.935 -6.336 -2.277 1.00 64.34 C ATOM 678 C ALA A 89 14.856 -6.262 -3.350 1.00 21.13 C ATOM 679 O ALA A 89 14.858 -5.353 -4.180 1.00 30.03 O ATOM 680 CB ALA A 89 16.608 -4.977 -2.112 1.00 63.44 C ATOM 0 H ALA A 89 16.868 -7.691 -3.574 1.00 4.42 H new ATOM 0 HA ALA A 89 15.469 -6.607 -1.329 1.00 64.34 H new ATOM 0 HB1 ALA A 89 15.857 -4.227 -1.864 1.00 63.44 H new ATOM 0 HB2 ALA A 89 17.346 -5.031 -1.311 1.00 63.44 H new ATOM 0 HB3 ALA A 89 17.103 -4.701 -3.043 1.00 63.44 H new ATOM 686 N PRO A 90 13.924 -7.225 -3.361 1.00 52.10 N ATOM 687 CA PRO A 90 12.888 -7.291 -4.387 1.00 21.00 C ATOM 688 C PRO A 90 11.938 -6.106 -4.320 1.00 13.12 C ATOM 689 O PRO A 90 11.893 -5.385 -3.328 1.00 54.52 O ATOM 690 CB PRO A 90 12.130 -8.588 -4.098 1.00 42.14 C ATOM 691 CG PRO A 90 12.902 -9.308 -3.039 1.00 62.33 C ATOM 692 CD PRO A 90 13.799 -8.304 -2.371 1.00 25.32 C ATOM 0 HA PRO A 90 13.326 -7.266 -5.385 1.00 21.00 H new ATOM 0 HB2 PRO A 90 11.115 -8.377 -3.761 1.00 42.14 H new ATOM 0 HB3 PRO A 90 12.047 -9.197 -4.998 1.00 42.14 H new ATOM 0 HG2 PRO A 90 12.226 -9.761 -2.313 1.00 62.33 H new ATOM 0 HG3 PRO A 90 13.489 -10.116 -3.475 1.00 62.33 H new ATOM 0 HD2 PRO A 90 13.367 -7.942 -1.438 1.00 25.32 H new ATOM 0 HD3 PRO A 90 14.769 -8.736 -2.127 1.00 25.32 H new ATOM 700 N LEU A 91 11.177 -5.913 -5.378 1.00 1.40 N ATOM 701 CA LEU A 91 10.231 -4.822 -5.438 1.00 34.14 C ATOM 702 C LEU A 91 8.819 -5.380 -5.416 1.00 42.43 C ATOM 703 O LEU A 91 8.387 -6.072 -6.344 1.00 15.32 O ATOM 704 CB LEU A 91 10.470 -3.969 -6.691 1.00 71.41 C ATOM 705 CG LEU A 91 9.794 -2.589 -6.695 1.00 51.13 C ATOM 706 CD1 LEU A 91 8.298 -2.704 -6.932 1.00 41.30 C ATOM 707 CD2 LEU A 91 10.076 -1.855 -5.392 1.00 21.25 C ATOM 0 H LEU A 91 11.197 -6.502 -6.211 1.00 1.40 H new ATOM 0 HA LEU A 91 10.367 -4.176 -4.571 1.00 34.14 H new ATOM 0 HB2 LEU A 91 11.544 -3.828 -6.813 1.00 71.41 H new ATOM 0 HB3 LEU A 91 10.121 -4.527 -7.560 1.00 71.41 H new ATOM 0 HG LEU A 91 10.216 -2.013 -7.519 1.00 51.13 H new ATOM 0 HD11 LEU A 91 7.852 -1.710 -6.929 1.00 41.30 H new ATOM 0 HD12 LEU A 91 8.118 -3.179 -7.896 1.00 41.30 H new ATOM 0 HD13 LEU A 91 7.850 -3.306 -6.141 1.00 41.30 H new ATOM 0 HD21 LEU A 91 9.590 -0.880 -5.411 1.00 21.25 H new ATOM 0 HD22 LEU A 91 9.689 -2.437 -4.556 1.00 21.25 H new ATOM 0 HD23 LEU A 91 11.151 -1.722 -5.275 1.00 21.25 H new ATOM 719 N PHE A 92 8.117 -5.079 -4.346 1.00 32.03 N ATOM 720 CA PHE A 92 6.747 -5.518 -4.169 1.00 60.53 C ATOM 721 C PHE A 92 5.812 -4.352 -4.429 1.00 2.24 C ATOM 722 O PHE A 92 6.037 -3.252 -3.930 1.00 44.41 O ATOM 723 CB PHE A 92 6.529 -6.062 -2.749 1.00 72.34 C ATOM 724 CG PHE A 92 7.230 -7.363 -2.464 1.00 2.45 C ATOM 725 CD1 PHE A 92 8.611 -7.419 -2.359 1.00 52.31 C ATOM 726 CD2 PHE A 92 6.502 -8.528 -2.283 1.00 74.13 C ATOM 727 CE1 PHE A 92 9.251 -8.611 -2.082 1.00 34.11 C ATOM 728 CE2 PHE A 92 7.138 -9.724 -2.007 1.00 1.23 C ATOM 729 CZ PHE A 92 8.514 -9.765 -1.906 1.00 51.11 C ATOM 0 H PHE A 92 8.479 -4.522 -3.572 1.00 32.03 H new ATOM 0 HA PHE A 92 6.538 -6.321 -4.875 1.00 60.53 H new ATOM 0 HB2 PHE A 92 6.870 -5.316 -2.031 1.00 72.34 H new ATOM 0 HB3 PHE A 92 5.460 -6.197 -2.585 1.00 72.34 H new ATOM 0 HD1 PHE A 92 9.193 -6.520 -2.495 1.00 52.31 H new ATOM 0 HD2 PHE A 92 5.425 -8.501 -2.358 1.00 74.13 H new ATOM 0 HE1 PHE A 92 10.328 -8.640 -2.003 1.00 34.11 H new ATOM 0 HE2 PHE A 92 6.559 -10.625 -1.871 1.00 1.23 H new ATOM 0 HZ PHE A 92 9.013 -10.698 -1.690 1.00 51.11 H new ATOM 739 N THR A 93 4.775 -4.588 -5.208 1.00 33.24 N ATOM 740 CA THR A 93 3.851 -3.535 -5.565 1.00 64.04 C ATOM 741 C THR A 93 2.473 -3.826 -4.992 1.00 62.44 C ATOM 742 O THR A 93 1.724 -4.658 -5.516 1.00 44.04 O ATOM 743 CB THR A 93 3.763 -3.365 -7.092 1.00 11.33 C ATOM 744 OG1 THR A 93 5.079 -3.171 -7.634 1.00 21.33 O ATOM 745 CG2 THR A 93 2.886 -2.175 -7.454 1.00 1.23 C ATOM 0 H THR A 93 4.553 -5.501 -5.605 1.00 33.24 H new ATOM 0 HA THR A 93 4.224 -2.603 -5.141 1.00 64.04 H new ATOM 0 HB THR A 93 3.319 -4.267 -7.514 1.00 11.33 H new ATOM 0 HG1 THR A 93 5.012 -2.969 -8.591 1.00 21.33 H new ATOM 0 HG21 THR A 93 2.839 -2.074 -8.538 1.00 1.23 H new ATOM 0 HG22 THR A 93 1.882 -2.330 -7.060 1.00 1.23 H new ATOM 0 HG23 THR A 93 3.309 -1.267 -7.024 1.00 1.23 H new ATOM 753 N ILE A 94 2.164 -3.161 -3.895 1.00 71.14 N ATOM 754 CA ILE A 94 0.890 -3.330 -3.222 1.00 50.34 C ATOM 755 C ILE A 94 -0.068 -2.233 -3.638 1.00 72.24 C ATOM 756 O ILE A 94 0.270 -1.048 -3.604 1.00 72.12 O ATOM 757 CB ILE A 94 1.060 -3.316 -1.686 1.00 23.02 C ATOM 758 CG1 ILE A 94 1.814 -4.569 -1.234 1.00 42.22 C ATOM 759 CG2 ILE A 94 -0.291 -3.207 -0.982 1.00 50.31 C ATOM 760 CD1 ILE A 94 0.947 -5.801 -1.094 1.00 41.44 C ATOM 0 H ILE A 94 2.787 -2.490 -3.446 1.00 71.14 H new ATOM 0 HA ILE A 94 0.484 -4.299 -3.513 1.00 50.34 H new ATOM 0 HB ILE A 94 1.643 -2.437 -1.410 1.00 23.02 H new ATOM 0 HG12 ILE A 94 2.609 -4.778 -1.950 1.00 42.22 H new ATOM 0 HG13 ILE A 94 2.293 -4.365 -0.276 1.00 42.22 H new ATOM 0 HG21 ILE A 94 -0.139 -3.200 0.097 1.00 50.31 H new ATOM 0 HG22 ILE A 94 -0.786 -2.284 -1.285 1.00 50.31 H new ATOM 0 HG23 ILE A 94 -0.913 -4.059 -1.255 1.00 50.31 H new ATOM 0 HD11 ILE A 94 1.560 -6.642 -0.770 1.00 41.44 H new ATOM 0 HD12 ILE A 94 0.167 -5.615 -0.356 1.00 41.44 H new ATOM 0 HD13 ILE A 94 0.489 -6.034 -2.055 1.00 41.44 H new ATOM 772 N SER A 95 -1.246 -2.633 -4.051 1.00 41.51 N ATOM 773 CA SER A 95 -2.279 -1.700 -4.419 1.00 33.22 C ATOM 774 C SER A 95 -3.391 -1.725 -3.391 1.00 23.31 C ATOM 775 O SER A 95 -3.957 -2.779 -3.103 1.00 54.05 O ATOM 776 CB SER A 95 -2.823 -2.045 -5.804 1.00 32.03 C ATOM 777 OG SER A 95 -2.881 -3.446 -6.005 1.00 60.35 O ATOM 0 H SER A 95 -1.514 -3.613 -4.141 1.00 41.51 H new ATOM 0 HA SER A 95 -1.858 -0.695 -4.450 1.00 33.22 H new ATOM 0 HB2 SER A 95 -3.819 -1.618 -5.922 1.00 32.03 H new ATOM 0 HB3 SER A 95 -2.190 -1.593 -6.568 1.00 32.03 H new ATOM 0 HG SER A 95 -3.665 -3.666 -6.550 1.00 60.35 H new ATOM 783 N VAL A 96 -3.680 -0.581 -2.807 1.00 51.44 N ATOM 784 CA VAL A 96 -4.805 -0.475 -1.904 1.00 3.34 C ATOM 785 C VAL A 96 -5.891 0.375 -2.537 1.00 31.30 C ATOM 786 O VAL A 96 -5.652 1.502 -2.969 1.00 34.04 O ATOM 787 CB VAL A 96 -4.424 0.090 -0.515 1.00 13.32 C ATOM 788 CG1 VAL A 96 -3.871 1.504 -0.612 1.00 4.14 C ATOM 789 CG2 VAL A 96 -5.631 0.042 0.409 1.00 55.24 C ATOM 0 H VAL A 96 -3.155 0.283 -2.941 1.00 51.44 H new ATOM 0 HA VAL A 96 -5.171 -1.487 -1.733 1.00 3.34 H new ATOM 0 HB VAL A 96 -3.632 -0.534 -0.101 1.00 13.32 H new ATOM 0 HG11 VAL A 96 -3.616 1.864 0.385 1.00 4.14 H new ATOM 0 HG12 VAL A 96 -2.978 1.503 -1.237 1.00 4.14 H new ATOM 0 HG13 VAL A 96 -4.622 2.159 -1.053 1.00 4.14 H new ATOM 0 HG21 VAL A 96 -5.358 0.441 1.386 1.00 55.24 H new ATOM 0 HG22 VAL A 96 -6.438 0.641 -0.015 1.00 55.24 H new ATOM 0 HG23 VAL A 96 -5.964 -0.990 0.519 1.00 55.24 H new ATOM 799 N GLU A 97 -7.074 -0.188 -2.634 1.00 43.01 N ATOM 800 CA GLU A 97 -8.189 0.522 -3.213 1.00 52.30 C ATOM 801 C GLU A 97 -9.075 1.061 -2.106 1.00 22.14 C ATOM 802 O GLU A 97 -9.630 0.298 -1.317 1.00 73.13 O ATOM 803 CB GLU A 97 -8.979 -0.396 -4.133 1.00 53.01 C ATOM 804 CG GLU A 97 -9.770 0.359 -5.186 1.00 44.11 C ATOM 805 CD GLU A 97 -10.419 -0.555 -6.206 1.00 62.15 C ATOM 806 OE1 GLU A 97 -9.723 -1.432 -6.759 1.00 54.15 O ATOM 807 OE2 GLU A 97 -11.635 -0.402 -6.455 1.00 74.02 O ATOM 0 H GLU A 97 -7.288 -1.134 -2.320 1.00 43.01 H new ATOM 0 HA GLU A 97 -7.816 1.357 -3.806 1.00 52.30 H new ATOM 0 HB2 GLU A 97 -8.293 -1.085 -4.626 1.00 53.01 H new ATOM 0 HB3 GLU A 97 -9.663 -0.999 -3.536 1.00 53.01 H new ATOM 0 HG2 GLU A 97 -10.541 0.954 -4.696 1.00 44.11 H new ATOM 0 HG3 GLU A 97 -9.108 1.056 -5.700 1.00 44.11 H new ATOM 814 N VAL A 98 -9.176 2.375 -2.033 1.00 72.31 N ATOM 815 CA VAL A 98 -9.944 3.028 -0.982 1.00 50.43 C ATOM 816 C VAL A 98 -10.873 4.056 -1.575 1.00 11.01 C ATOM 817 O VAL A 98 -10.435 4.970 -2.277 1.00 41.24 O ATOM 818 CB VAL A 98 -9.040 3.717 0.065 1.00 21.12 C ATOM 819 CG1 VAL A 98 -9.864 4.180 1.254 1.00 21.13 C ATOM 820 CG2 VAL A 98 -7.924 2.794 0.524 1.00 63.04 C ATOM 0 H VAL A 98 -8.734 3.017 -2.691 1.00 72.31 H new ATOM 0 HA VAL A 98 -10.514 2.247 -0.479 1.00 50.43 H new ATOM 0 HB VAL A 98 -8.584 4.586 -0.408 1.00 21.12 H new ATOM 0 HG11 VAL A 98 -9.212 4.663 1.982 1.00 21.13 H new ATOM 0 HG12 VAL A 98 -10.621 4.889 0.918 1.00 21.13 H new ATOM 0 HG13 VAL A 98 -10.351 3.321 1.716 1.00 21.13 H new ATOM 0 HG21 VAL A 98 -7.306 3.308 1.260 1.00 63.04 H new ATOM 0 HG22 VAL A 98 -8.354 1.899 0.973 1.00 63.04 H new ATOM 0 HG23 VAL A 98 -7.310 2.512 -0.331 1.00 63.04 H new ATOM 830 N ASP A 99 -12.161 3.883 -1.297 1.00 72.42 N ATOM 831 CA ASP A 99 -13.193 4.799 -1.762 1.00 24.41 C ATOM 832 C ASP A 99 -13.169 4.978 -3.281 1.00 2.42 C ATOM 833 O ASP A 99 -13.629 5.993 -3.810 1.00 20.41 O ATOM 834 CB ASP A 99 -13.034 6.142 -1.057 1.00 24.32 C ATOM 835 CG ASP A 99 -13.752 6.182 0.277 1.00 72.13 C ATOM 836 OD1 ASP A 99 -13.151 5.791 1.300 1.00 44.03 O ATOM 837 OD2 ASP A 99 -14.931 6.595 0.308 1.00 64.21 O ATOM 0 H ASP A 99 -12.517 3.104 -0.743 1.00 72.42 H new ATOM 0 HA ASP A 99 -14.163 4.368 -1.515 1.00 24.41 H new ATOM 0 HB2 ASP A 99 -11.974 6.345 -0.903 1.00 24.32 H new ATOM 0 HB3 ASP A 99 -13.420 6.934 -1.698 1.00 24.32 H new ATOM 842 N GLY A 100 -12.652 3.978 -3.982 1.00 1.22 N ATOM 843 CA GLY A 100 -12.623 4.024 -5.430 1.00 34.42 C ATOM 844 C GLY A 100 -11.303 4.516 -5.977 1.00 32.21 C ATOM 845 O GLY A 100 -11.096 4.533 -7.189 1.00 33.11 O ATOM 0 H GLY A 100 -12.251 3.134 -3.572 1.00 1.22 H new ATOM 0 HA2 GLY A 100 -12.825 3.028 -5.824 1.00 34.42 H new ATOM 0 HA3 GLY A 100 -13.422 4.675 -5.784 1.00 34.42 H new ATOM 849 N GLN A 101 -10.413 4.926 -5.095 1.00 40.21 N ATOM 850 CA GLN A 101 -9.095 5.366 -5.506 1.00 11.22 C ATOM 851 C GLN A 101 -8.053 4.328 -5.155 1.00 23.11 C ATOM 852 O GLN A 101 -7.946 3.898 -4.006 1.00 24.03 O ATOM 853 CB GLN A 101 -8.754 6.718 -4.882 1.00 62.22 C ATOM 854 CG GLN A 101 -9.288 7.881 -5.698 1.00 32.40 C ATOM 855 CD GLN A 101 -8.698 7.923 -7.096 1.00 35.44 C ATOM 856 OE1 GLN A 101 -7.686 8.581 -7.336 1.00 1.22 O ATOM 857 NE2 GLN A 101 -9.307 7.196 -8.024 1.00 2.25 N ATOM 0 H GLN A 101 -10.579 4.964 -4.089 1.00 40.21 H new ATOM 0 HA GLN A 101 -9.098 5.489 -6.589 1.00 11.22 H new ATOM 0 HB2 GLN A 101 -9.166 6.765 -3.874 1.00 62.22 H new ATOM 0 HB3 GLN A 101 -7.672 6.810 -4.788 1.00 62.22 H new ATOM 0 HG2 GLN A 101 -10.373 7.806 -5.766 1.00 32.40 H new ATOM 0 HG3 GLN A 101 -9.065 8.816 -5.184 1.00 32.40 H new ATOM 0 HE21 GLN A 101 -10.144 6.664 -7.787 1.00 2.25 H new ATOM 0 HE22 GLN A 101 -8.938 7.169 -8.975 1.00 2.25 H new ATOM 866 N LYS A 102 -7.305 3.911 -6.157 1.00 33.21 N ATOM 867 CA LYS A 102 -6.276 2.915 -5.966 1.00 64.55 C ATOM 868 C LYS A 102 -4.949 3.600 -5.683 1.00 54.43 C ATOM 869 O LYS A 102 -4.399 4.300 -6.536 1.00 20.31 O ATOM 870 CB LYS A 102 -6.179 2.011 -7.201 1.00 23.33 C ATOM 871 CG LYS A 102 -5.416 0.712 -6.960 1.00 52.51 C ATOM 872 CD LYS A 102 -3.906 0.928 -6.911 1.00 61.31 C ATOM 873 CE LYS A 102 -3.319 1.272 -8.274 1.00 64.33 C ATOM 874 NZ LYS A 102 -3.344 0.116 -9.213 1.00 13.35 N ATOM 0 H LYS A 102 -7.393 4.250 -7.115 1.00 33.21 H new ATOM 0 HA LYS A 102 -6.531 2.289 -5.111 1.00 64.55 H new ATOM 0 HB2 LYS A 102 -7.186 1.771 -7.543 1.00 23.33 H new ATOM 0 HB3 LYS A 102 -5.692 2.563 -8.005 1.00 23.33 H new ATOM 0 HG2 LYS A 102 -5.748 0.267 -6.022 1.00 52.51 H new ATOM 0 HG3 LYS A 102 -5.654 0.001 -7.752 1.00 52.51 H new ATOM 0 HD2 LYS A 102 -3.680 1.731 -6.209 1.00 61.31 H new ATOM 0 HD3 LYS A 102 -3.426 0.027 -6.530 1.00 61.31 H new ATOM 0 HE2 LYS A 102 -3.878 2.101 -8.708 1.00 64.33 H new ATOM 0 HE3 LYS A 102 -2.291 1.612 -8.148 1.00 64.33 H new ATOM 0 HZ1 LYS A 102 -2.903 0.391 -10.114 1.00 13.35 H new ATOM 0 HZ2 LYS A 102 -2.817 -0.679 -8.799 1.00 13.35 H new ATOM 0 HZ3 LYS A 102 -4.329 -0.172 -9.383 1.00 13.35 H new ATOM 888 N TYR A 103 -4.453 3.406 -4.480 1.00 13.14 N ATOM 889 CA TYR A 103 -3.176 3.959 -4.080 1.00 62.12 C ATOM 890 C TYR A 103 -2.114 2.875 -4.166 1.00 60.21 C ATOM 891 O TYR A 103 -2.338 1.743 -3.730 1.00 34.45 O ATOM 892 CB TYR A 103 -3.267 4.518 -2.662 1.00 74.34 C ATOM 893 CG TYR A 103 -4.401 5.502 -2.480 1.00 2.31 C ATOM 894 CD1 TYR A 103 -4.230 6.847 -2.770 1.00 4.44 C ATOM 895 CD2 TYR A 103 -5.643 5.082 -2.019 1.00 62.44 C ATOM 896 CE1 TYR A 103 -5.265 7.749 -2.608 1.00 20.31 C ATOM 897 CE2 TYR A 103 -6.683 5.977 -1.853 1.00 73.33 C ATOM 898 CZ TYR A 103 -6.489 7.310 -2.148 1.00 41.13 C ATOM 899 OH TYR A 103 -7.521 8.209 -1.977 1.00 73.41 O ATOM 0 H TYR A 103 -4.921 2.863 -3.754 1.00 13.14 H new ATOM 0 HA TYR A 103 -2.904 4.776 -4.748 1.00 62.12 H new ATOM 0 HB2 TYR A 103 -3.395 3.693 -1.961 1.00 74.34 H new ATOM 0 HB3 TYR A 103 -2.326 5.008 -2.411 1.00 74.34 H new ATOM 0 HD1 TYR A 103 -3.273 7.196 -3.128 1.00 4.44 H new ATOM 0 HD2 TYR A 103 -5.798 4.039 -1.787 1.00 62.44 H new ATOM 0 HE1 TYR A 103 -5.116 8.793 -2.841 1.00 20.31 H new ATOM 0 HE2 TYR A 103 -7.642 5.634 -1.494 1.00 73.33 H new ATOM 0 HH TYR A 103 -8.315 7.737 -1.648 1.00 73.41 H new ATOM 909 N LEU A 104 -0.972 3.210 -4.743 1.00 41.34 N ATOM 910 CA LEU A 104 0.054 2.218 -5.006 1.00 31.05 C ATOM 911 C LEU A 104 1.248 2.411 -4.084 1.00 55.10 C ATOM 912 O LEU A 104 1.651 3.540 -3.802 1.00 13.22 O ATOM 913 CB LEU A 104 0.507 2.305 -6.463 1.00 31.24 C ATOM 914 CG LEU A 104 1.135 1.033 -7.020 1.00 43.22 C ATOM 915 CD1 LEU A 104 0.120 -0.095 -7.009 1.00 24.44 C ATOM 916 CD2 LEU A 104 1.664 1.272 -8.427 1.00 34.13 C ATOM 0 H LEU A 104 -0.734 4.157 -5.037 1.00 41.34 H new ATOM 0 HA LEU A 104 -0.372 1.232 -4.818 1.00 31.05 H new ATOM 0 HB2 LEU A 104 -0.352 2.568 -7.080 1.00 31.24 H new ATOM 0 HB3 LEU A 104 1.227 3.118 -6.556 1.00 31.24 H new ATOM 0 HG LEU A 104 1.976 0.748 -6.387 1.00 43.22 H new ATOM 0 HD11 LEU A 104 0.577 -1.000 -7.409 1.00 24.44 H new ATOM 0 HD12 LEU A 104 -0.211 -0.277 -5.986 1.00 24.44 H new ATOM 0 HD13 LEU A 104 -0.737 0.180 -7.624 1.00 24.44 H new ATOM 0 HD21 LEU A 104 2.109 0.353 -8.809 1.00 34.13 H new ATOM 0 HD22 LEU A 104 0.844 1.576 -9.077 1.00 34.13 H new ATOM 0 HD23 LEU A 104 2.419 2.058 -8.403 1.00 34.13 H new ATOM 928 N GLY A 105 1.800 1.307 -3.616 1.00 14.03 N ATOM 929 CA GLY A 105 2.978 1.357 -2.781 1.00 71.05 C ATOM 930 C GLY A 105 3.991 0.324 -3.202 1.00 12.53 C ATOM 931 O GLY A 105 3.651 -0.845 -3.383 1.00 4.42 O ATOM 0 H GLY A 105 1.449 0.367 -3.802 1.00 14.03 H new ATOM 0 HA2 GLY A 105 3.424 2.350 -2.836 1.00 71.05 H new ATOM 0 HA3 GLY A 105 2.697 1.191 -1.741 1.00 71.05 H new ATOM 935 N GLN A 106 5.231 0.749 -3.374 1.00 23.41 N ATOM 936 CA GLN A 106 6.272 -0.139 -3.854 1.00 63.12 C ATOM 937 C GLN A 106 7.425 -0.210 -2.864 1.00 62.20 C ATOM 938 O GLN A 106 8.146 0.764 -2.656 1.00 41.41 O ATOM 939 CB GLN A 106 6.753 0.321 -5.224 1.00 54.14 C ATOM 940 CG GLN A 106 5.619 0.438 -6.227 1.00 63.42 C ATOM 941 CD GLN A 106 6.106 0.493 -7.652 1.00 35.32 C ATOM 942 OE1 GLN A 106 6.373 1.563 -8.193 1.00 75.22 O ATOM 943 NE2 GLN A 106 6.208 -0.665 -8.277 1.00 13.12 N ATOM 0 H GLN A 106 5.540 1.703 -3.188 1.00 23.41 H new ATOM 0 HA GLN A 106 5.860 -1.144 -3.949 1.00 63.12 H new ATOM 0 HB2 GLN A 106 7.249 1.287 -5.126 1.00 54.14 H new ATOM 0 HB3 GLN A 106 7.496 -0.382 -5.600 1.00 54.14 H new ATOM 0 HG2 GLN A 106 4.947 -0.412 -6.110 1.00 63.42 H new ATOM 0 HG3 GLN A 106 5.039 1.335 -6.011 1.00 63.42 H new ATOM 0 HE21 GLN A 106 5.976 -1.530 -7.789 1.00 13.12 H new ATOM 0 HE22 GLN A 106 6.519 -0.695 -9.248 1.00 13.12 H new ATOM 952 N GLY A 107 7.594 -1.372 -2.254 1.00 74.21 N ATOM 953 CA GLY A 107 8.615 -1.538 -1.242 1.00 54.45 C ATOM 954 C GLY A 107 9.423 -2.795 -1.466 1.00 34.23 C ATOM 955 O GLY A 107 9.203 -3.507 -2.441 1.00 43.50 O ATOM 0 H GLY A 107 7.039 -2.207 -2.443 1.00 74.21 H new ATOM 0 HA2 GLY A 107 9.278 -0.673 -1.248 1.00 54.45 H new ATOM 0 HA3 GLY A 107 8.149 -1.575 -0.257 1.00 54.45 H new ATOM 959 N ARG A 108 10.341 -3.085 -0.556 1.00 43.20 N ATOM 960 CA ARG A 108 11.233 -4.232 -0.713 1.00 41.12 C ATOM 961 C ARG A 108 10.634 -5.485 -0.087 1.00 2.04 C ATOM 962 O ARG A 108 11.279 -6.528 -0.010 1.00 5.44 O ATOM 963 CB ARG A 108 12.597 -3.919 -0.096 1.00 63.21 C ATOM 964 CG ARG A 108 13.211 -2.650 -0.658 1.00 21.35 C ATOM 965 CD ARG A 108 13.387 -2.747 -2.163 1.00 65.30 C ATOM 966 NE ARG A 108 13.336 -1.439 -2.810 1.00 44.03 N ATOM 967 CZ ARG A 108 13.716 -1.217 -4.069 1.00 75.01 C ATOM 968 NH1 ARG A 108 14.236 -2.203 -4.795 1.00 12.33 N ATOM 969 NH2 ARG A 108 13.586 -0.005 -4.600 1.00 74.32 N ATOM 0 H ARG A 108 10.490 -2.546 0.297 1.00 43.20 H new ATOM 0 HA ARG A 108 11.362 -4.425 -1.778 1.00 41.12 H new ATOM 0 HB2 ARG A 108 12.489 -3.819 0.984 1.00 63.21 H new ATOM 0 HB3 ARG A 108 13.273 -4.755 -0.273 1.00 63.21 H new ATOM 0 HG2 ARG A 108 12.576 -1.798 -0.417 1.00 21.35 H new ATOM 0 HG3 ARG A 108 14.177 -2.470 -0.187 1.00 21.35 H new ATOM 0 HD2 ARG A 108 14.342 -3.223 -2.385 1.00 65.30 H new ATOM 0 HD3 ARG A 108 12.608 -3.386 -2.578 1.00 65.30 H new ATOM 0 HE ARG A 108 12.989 -0.648 -2.267 1.00 44.03 H new ATOM 0 HH11 ARG A 108 14.345 -3.132 -4.389 1.00 12.33 H new ATOM 0 HH12 ARG A 108 14.526 -2.030 -5.758 1.00 12.33 H new ATOM 0 HH21 ARG A 108 13.195 0.756 -4.044 1.00 74.32 H new ATOM 0 HH22 ARG A 108 13.877 0.164 -5.563 1.00 74.32 H new ATOM 983 N SER A 109 9.390 -5.368 0.352 1.00 32.54 N ATOM 984 CA SER A 109 8.657 -6.479 0.942 1.00 22.25 C ATOM 985 C SER A 109 7.169 -6.153 0.918 1.00 63.51 C ATOM 986 O SER A 109 6.802 -4.988 0.763 1.00 72.32 O ATOM 987 CB SER A 109 9.119 -6.732 2.383 1.00 12.51 C ATOM 988 OG SER A 109 10.495 -7.070 2.438 1.00 55.35 O ATOM 0 H SER A 109 8.859 -4.498 0.309 1.00 32.54 H new ATOM 0 HA SER A 109 8.849 -7.384 0.365 1.00 22.25 H new ATOM 0 HB2 SER A 109 8.938 -5.842 2.985 1.00 12.51 H new ATOM 0 HB3 SER A 109 8.528 -7.537 2.819 1.00 12.51 H new ATOM 0 HG SER A 109 10.828 -7.234 1.531 1.00 55.35 H new ATOM 994 N LYS A 110 6.319 -7.173 1.058 1.00 42.14 N ATOM 995 CA LYS A 110 4.867 -6.966 1.103 1.00 63.10 C ATOM 996 C LYS A 110 4.505 -5.922 2.158 1.00 62.51 C ATOM 997 O LYS A 110 3.679 -5.043 1.926 1.00 14.12 O ATOM 998 CB LYS A 110 4.146 -8.271 1.444 1.00 31.11 C ATOM 999 CG LYS A 110 4.140 -9.300 0.331 1.00 35.03 C ATOM 1000 CD LYS A 110 3.380 -10.544 0.757 1.00 62.23 C ATOM 1001 CE LYS A 110 3.168 -11.499 -0.404 1.00 70.22 C ATOM 1002 NZ LYS A 110 2.404 -12.709 0.005 1.00 51.31 N ATOM 0 H LYS A 110 6.608 -8.148 1.142 1.00 42.14 H new ATOM 0 HA LYS A 110 4.553 -6.619 0.118 1.00 63.10 H new ATOM 0 HB2 LYS A 110 4.615 -8.710 2.324 1.00 31.11 H new ATOM 0 HB3 LYS A 110 3.115 -8.041 1.714 1.00 31.11 H new ATOM 0 HG2 LYS A 110 3.681 -8.875 -0.562 1.00 35.03 H new ATOM 0 HG3 LYS A 110 5.164 -9.565 0.068 1.00 35.03 H new ATOM 0 HD2 LYS A 110 3.929 -11.052 1.550 1.00 62.23 H new ATOM 0 HD3 LYS A 110 2.414 -10.256 1.172 1.00 62.23 H new ATOM 0 HE2 LYS A 110 2.634 -10.986 -1.204 1.00 70.22 H new ATOM 0 HE3 LYS A 110 4.135 -11.799 -0.808 1.00 70.22 H new ATOM 0 HZ1 LYS A 110 2.281 -13.336 -0.816 1.00 51.31 H new ATOM 0 HZ2 LYS A 110 2.925 -13.213 0.750 1.00 51.31 H new ATOM 0 HZ3 LYS A 110 1.471 -12.425 0.367 1.00 51.31 H new ATOM 1016 N LYS A 111 5.155 -6.033 3.312 1.00 43.13 N ATOM 1017 CA LYS A 111 4.909 -5.157 4.444 1.00 1.23 C ATOM 1018 C LYS A 111 5.227 -3.707 4.089 1.00 64.45 C ATOM 1019 O LYS A 111 4.392 -2.819 4.261 1.00 61.24 O ATOM 1020 CB LYS A 111 5.773 -5.623 5.613 1.00 51.14 C ATOM 1021 CG LYS A 111 5.659 -4.764 6.851 1.00 2.43 C ATOM 1022 CD LYS A 111 6.766 -5.094 7.830 1.00 24.44 C ATOM 1023 CE LYS A 111 6.785 -4.111 8.975 1.00 42.50 C ATOM 1024 NZ LYS A 111 5.734 -4.405 9.986 1.00 13.21 N ATOM 0 H LYS A 111 5.871 -6.739 3.486 1.00 43.13 H new ATOM 0 HA LYS A 111 3.855 -5.203 4.719 1.00 1.23 H new ATOM 0 HB2 LYS A 111 5.497 -6.646 5.868 1.00 51.14 H new ATOM 0 HB3 LYS A 111 6.815 -5.644 5.294 1.00 51.14 H new ATOM 0 HG2 LYS A 111 5.711 -3.711 6.576 1.00 2.43 H new ATOM 0 HG3 LYS A 111 4.689 -4.923 7.323 1.00 2.43 H new ATOM 0 HD2 LYS A 111 6.627 -6.104 8.215 1.00 24.44 H new ATOM 0 HD3 LYS A 111 7.727 -5.078 7.316 1.00 24.44 H new ATOM 0 HE2 LYS A 111 7.764 -4.133 9.454 1.00 42.50 H new ATOM 0 HE3 LYS A 111 6.642 -3.102 8.588 1.00 42.50 H new ATOM 0 HZ1 LYS A 111 5.468 -3.527 10.475 1.00 13.21 H new ATOM 0 HZ2 LYS A 111 4.899 -4.804 9.512 1.00 13.21 H new ATOM 0 HZ3 LYS A 111 6.100 -5.090 10.678 1.00 13.21 H new ATOM 1038 N VAL A 112 6.438 -3.486 3.587 1.00 14.11 N ATOM 1039 CA VAL A 112 6.878 -2.155 3.174 1.00 53.12 C ATOM 1040 C VAL A 112 5.946 -1.577 2.112 1.00 32.13 C ATOM 1041 O VAL A 112 5.474 -0.452 2.237 1.00 52.42 O ATOM 1042 CB VAL A 112 8.316 -2.183 2.610 1.00 13.02 C ATOM 1043 CG1 VAL A 112 8.826 -0.771 2.358 1.00 62.22 C ATOM 1044 CG2 VAL A 112 9.256 -2.938 3.537 1.00 52.20 C ATOM 0 H VAL A 112 7.138 -4.216 3.455 1.00 14.11 H new ATOM 0 HA VAL A 112 6.856 -1.526 4.064 1.00 53.12 H new ATOM 0 HB VAL A 112 8.290 -2.712 1.657 1.00 13.02 H new ATOM 0 HG11 VAL A 112 9.840 -0.816 1.961 1.00 62.22 H new ATOM 0 HG12 VAL A 112 8.176 -0.273 1.638 1.00 62.22 H new ATOM 0 HG13 VAL A 112 8.827 -0.212 3.294 1.00 62.22 H new ATOM 0 HG21 VAL A 112 10.260 -2.941 3.113 1.00 52.20 H new ATOM 0 HG22 VAL A 112 9.275 -2.451 4.512 1.00 52.20 H new ATOM 0 HG23 VAL A 112 8.908 -3.965 3.651 1.00 52.20 H new ATOM 1054 N ALA A 113 5.673 -2.370 1.080 1.00 64.42 N ATOM 1055 CA ALA A 113 4.833 -1.937 -0.030 1.00 35.32 C ATOM 1056 C ALA A 113 3.431 -1.574 0.446 1.00 34.32 C ATOM 1057 O ALA A 113 2.828 -0.615 -0.036 1.00 55.54 O ATOM 1058 CB ALA A 113 4.774 -3.028 -1.084 1.00 3.25 C ATOM 0 H ALA A 113 6.025 -3.323 0.990 1.00 64.42 H new ATOM 0 HA ALA A 113 5.274 -1.041 -0.467 1.00 35.32 H new ATOM 0 HB1 ALA A 113 4.145 -2.700 -1.912 1.00 3.25 H new ATOM 0 HB2 ALA A 113 5.779 -3.234 -1.451 1.00 3.25 H new ATOM 0 HB3 ALA A 113 4.355 -3.934 -0.647 1.00 3.25 H new ATOM 1064 N ARG A 114 2.926 -2.342 1.400 1.00 53.03 N ATOM 1065 CA ARG A 114 1.609 -2.100 1.971 1.00 53.01 C ATOM 1066 C ARG A 114 1.580 -0.738 2.671 1.00 41.34 C ATOM 1067 O ARG A 114 0.651 0.050 2.487 1.00 2.35 O ATOM 1068 CB ARG A 114 1.267 -3.224 2.951 1.00 11.44 C ATOM 1069 CG ARG A 114 -0.164 -3.202 3.449 1.00 63.24 C ATOM 1070 CD ARG A 114 -0.427 -4.331 4.427 1.00 52.23 C ATOM 1071 NE ARG A 114 -0.458 -5.637 3.769 1.00 23.24 N ATOM 1072 CZ ARG A 114 -0.540 -6.802 4.414 1.00 70.23 C ATOM 1073 NH1 ARG A 114 -0.661 -6.833 5.737 1.00 64.30 N ATOM 1074 NH2 ARG A 114 -0.536 -7.935 3.726 1.00 21.34 N ATOM 0 H ARG A 114 3.413 -3.145 1.798 1.00 53.03 H new ATOM 0 HA ARG A 114 0.863 -2.087 1.176 1.00 53.01 H new ATOM 0 HB2 ARG A 114 1.457 -4.182 2.467 1.00 11.44 H new ATOM 0 HB3 ARG A 114 1.939 -3.161 3.807 1.00 11.44 H new ATOM 0 HG2 ARG A 114 -0.368 -2.246 3.931 1.00 63.24 H new ATOM 0 HG3 ARG A 114 -0.847 -3.285 2.603 1.00 63.24 H new ATOM 0 HD2 ARG A 114 0.346 -4.331 5.195 1.00 52.23 H new ATOM 0 HD3 ARG A 114 -1.377 -4.158 4.932 1.00 52.23 H new ATOM 0 HE ARG A 114 -0.414 -5.658 2.750 1.00 23.24 H new ATOM 0 HH11 ARG A 114 -0.692 -5.962 6.267 1.00 64.30 H new ATOM 0 HH12 ARG A 114 -0.723 -7.728 6.223 1.00 64.30 H new ATOM 0 HH21 ARG A 114 -0.470 -7.913 2.708 1.00 21.34 H new ATOM 0 HH22 ARG A 114 -0.598 -8.828 4.214 1.00 21.34 H new ATOM 1088 N ILE A 115 2.610 -0.482 3.476 1.00 44.34 N ATOM 1089 CA ILE A 115 2.805 0.819 4.129 1.00 5.33 C ATOM 1090 C ILE A 115 2.848 1.955 3.099 1.00 73.23 C ATOM 1091 O ILE A 115 2.141 2.955 3.233 1.00 64.22 O ATOM 1092 CB ILE A 115 4.108 0.819 4.963 1.00 64.40 C ATOM 1093 CG1 ILE A 115 3.946 -0.104 6.172 1.00 20.25 C ATOM 1094 CG2 ILE A 115 4.480 2.229 5.409 1.00 10.44 C ATOM 1095 CD1 ILE A 115 5.213 -0.288 6.980 1.00 61.21 C ATOM 0 H ILE A 115 3.333 -1.167 3.696 1.00 44.34 H new ATOM 0 HA ILE A 115 1.957 0.986 4.793 1.00 5.33 H new ATOM 0 HB ILE A 115 4.919 0.449 4.336 1.00 64.40 H new ATOM 0 HG12 ILE A 115 3.168 0.298 6.821 1.00 20.25 H new ATOM 0 HG13 ILE A 115 3.602 -1.079 5.828 1.00 20.25 H new ATOM 0 HG21 ILE A 115 5.400 2.195 5.993 1.00 10.44 H new ATOM 0 HG22 ILE A 115 4.629 2.860 4.533 1.00 10.44 H new ATOM 0 HG23 ILE A 115 3.677 2.641 6.020 1.00 10.44 H new ATOM 0 HD11 ILE A 115 5.016 -0.955 7.819 1.00 61.21 H new ATOM 0 HD12 ILE A 115 5.988 -0.720 6.347 1.00 61.21 H new ATOM 0 HD13 ILE A 115 5.548 0.679 7.356 1.00 61.21 H new ATOM 1107 N GLU A 116 3.666 1.785 2.071 1.00 51.15 N ATOM 1108 CA GLU A 116 3.821 2.790 1.024 1.00 34.25 C ATOM 1109 C GLU A 116 2.481 3.124 0.368 1.00 4.12 C ATOM 1110 O GLU A 116 2.176 4.291 0.106 1.00 33.00 O ATOM 1111 CB GLU A 116 4.810 2.277 -0.017 1.00 2.42 C ATOM 1112 CG GLU A 116 6.195 2.019 0.549 1.00 20.13 C ATOM 1113 CD GLU A 116 7.022 3.279 0.658 1.00 30.43 C ATOM 1114 OE1 GLU A 116 7.732 3.606 -0.314 1.00 32.05 O ATOM 1115 OE2 GLU A 116 6.976 3.945 1.715 1.00 20.45 O ATOM 0 H GLU A 116 4.239 0.952 1.937 1.00 51.15 H new ATOM 0 HA GLU A 116 4.201 3.708 1.473 1.00 34.25 H new ATOM 0 HB2 GLU A 116 4.425 1.355 -0.451 1.00 2.42 H new ATOM 0 HB3 GLU A 116 4.885 3.003 -0.826 1.00 2.42 H new ATOM 0 HG2 GLU A 116 6.102 1.564 1.535 1.00 20.13 H new ATOM 0 HG3 GLU A 116 6.715 1.301 -0.086 1.00 20.13 H new ATOM 1122 N ALA A 117 1.679 2.096 0.122 1.00 15.33 N ATOM 1123 CA ALA A 117 0.369 2.272 -0.492 1.00 34.41 C ATOM 1124 C ALA A 117 -0.537 3.124 0.387 1.00 33.22 C ATOM 1125 O ALA A 117 -1.190 4.057 -0.085 1.00 11.23 O ATOM 1126 CB ALA A 117 -0.271 0.918 -0.754 1.00 33.04 C ATOM 0 H ALA A 117 1.914 1.128 0.339 1.00 15.33 H new ATOM 0 HA ALA A 117 0.503 2.791 -1.441 1.00 34.41 H new ATOM 0 HB1 ALA A 117 -1.249 1.061 -1.213 1.00 33.04 H new ATOM 0 HB2 ALA A 117 0.364 0.339 -1.425 1.00 33.04 H new ATOM 0 HB3 ALA A 117 -0.387 0.382 0.188 1.00 33.04 H new ATOM 1132 N ALA A 118 -0.548 2.811 1.673 1.00 33.11 N ATOM 1133 CA ALA A 118 -1.415 3.490 2.621 1.00 22.12 C ATOM 1134 C ALA A 118 -0.984 4.935 2.841 1.00 51.52 C ATOM 1135 O ALA A 118 -1.816 5.800 3.109 1.00 11.20 O ATOM 1136 CB ALA A 118 -1.428 2.734 3.934 1.00 61.33 C ATOM 0 H ALA A 118 0.038 2.086 2.086 1.00 33.11 H new ATOM 0 HA ALA A 118 -2.423 3.511 2.206 1.00 22.12 H new ATOM 0 HB1 ALA A 118 -2.079 3.246 4.642 1.00 61.33 H new ATOM 0 HB2 ALA A 118 -1.797 1.722 3.768 1.00 61.33 H new ATOM 0 HB3 ALA A 118 -0.417 2.689 4.338 1.00 61.33 H new ATOM 1142 N ALA A 119 0.314 5.193 2.718 1.00 54.11 N ATOM 1143 CA ALA A 119 0.850 6.537 2.905 1.00 61.11 C ATOM 1144 C ALA A 119 0.226 7.507 1.908 1.00 13.22 C ATOM 1145 O ALA A 119 -0.235 8.588 2.277 1.00 32.01 O ATOM 1146 CB ALA A 119 2.364 6.526 2.765 1.00 43.42 C ATOM 0 H ALA A 119 1.015 4.488 2.489 1.00 54.11 H new ATOM 0 HA ALA A 119 0.598 6.873 3.911 1.00 61.11 H new ATOM 0 HB1 ALA A 119 2.750 7.535 2.907 1.00 43.42 H new ATOM 0 HB2 ALA A 119 2.794 5.864 3.517 1.00 43.42 H new ATOM 0 HB3 ALA A 119 2.635 6.171 1.771 1.00 43.42 H new ATOM 1152 N THR A 120 0.197 7.099 0.646 1.00 34.45 N ATOM 1153 CA THR A 120 -0.417 7.896 -0.408 1.00 53.34 C ATOM 1154 C THR A 120 -1.894 8.156 -0.096 1.00 53.13 C ATOM 1155 O THR A 120 -2.403 9.263 -0.289 1.00 23.22 O ATOM 1156 CB THR A 120 -0.295 7.180 -1.770 1.00 4.51 C ATOM 1157 OG1 THR A 120 1.071 6.801 -1.998 1.00 72.03 O ATOM 1158 CG2 THR A 120 -0.769 8.075 -2.907 1.00 53.43 C ATOM 0 H THR A 120 0.594 6.216 0.326 1.00 34.45 H new ATOM 0 HA THR A 120 0.109 8.849 -0.459 1.00 53.34 H new ATOM 0 HB THR A 120 -0.927 6.292 -1.744 1.00 4.51 H new ATOM 0 HG1 THR A 120 1.144 6.345 -2.863 1.00 72.03 H new ATOM 0 HG21 THR A 120 -0.671 7.543 -3.854 1.00 53.43 H new ATOM 0 HG22 THR A 120 -1.813 8.343 -2.748 1.00 53.43 H new ATOM 0 HG23 THR A 120 -0.162 8.980 -2.935 1.00 53.43 H new ATOM 1166 N ALA A 121 -2.567 7.131 0.410 1.00 41.32 N ATOM 1167 CA ALA A 121 -3.981 7.227 0.740 1.00 25.32 C ATOM 1168 C ALA A 121 -4.222 8.252 1.839 1.00 32.14 C ATOM 1169 O ALA A 121 -5.163 9.039 1.764 1.00 51.54 O ATOM 1170 CB ALA A 121 -4.509 5.870 1.166 1.00 42.51 C ATOM 0 H ALA A 121 -2.153 6.219 0.601 1.00 41.32 H new ATOM 0 HA ALA A 121 -4.515 7.556 -0.151 1.00 25.32 H new ATOM 0 HB1 ALA A 121 -5.568 5.952 1.411 1.00 42.51 H new ATOM 0 HB2 ALA A 121 -4.379 5.157 0.352 1.00 42.51 H new ATOM 0 HB3 ALA A 121 -3.960 5.524 2.042 1.00 42.51 H new ATOM 1176 N LEU A 122 -3.358 8.246 2.850 1.00 43.24 N ATOM 1177 CA LEU A 122 -3.510 9.133 3.997 1.00 33.43 C ATOM 1178 C LEU A 122 -3.537 10.593 3.568 1.00 20.54 C ATOM 1179 O LEU A 122 -4.459 11.331 3.919 1.00 10.41 O ATOM 1180 CB LEU A 122 -2.376 8.923 5.004 1.00 1.12 C ATOM 1181 CG LEU A 122 -2.284 7.526 5.618 1.00 11.33 C ATOM 1182 CD1 LEU A 122 -1.198 7.491 6.678 1.00 62.22 C ATOM 1183 CD2 LEU A 122 -3.619 7.103 6.208 1.00 64.32 C ATOM 0 H LEU A 122 -2.543 7.634 2.897 1.00 43.24 H new ATOM 0 HA LEU A 122 -4.461 8.887 4.469 1.00 33.43 H new ATOM 0 HB2 LEU A 122 -1.430 9.145 4.510 1.00 1.12 H new ATOM 0 HB3 LEU A 122 -2.492 9.647 5.810 1.00 1.12 H new ATOM 0 HG LEU A 122 -2.027 6.820 4.828 1.00 11.33 H new ATOM 0 HD11 LEU A 122 -1.142 6.491 7.108 1.00 62.22 H new ATOM 0 HD12 LEU A 122 -0.240 7.746 6.226 1.00 62.22 H new ATOM 0 HD13 LEU A 122 -1.432 8.211 7.462 1.00 62.22 H new ATOM 0 HD21 LEU A 122 -3.527 6.106 6.638 1.00 64.32 H new ATOM 0 HD22 LEU A 122 -3.913 7.808 6.985 1.00 64.32 H new ATOM 0 HD23 LEU A 122 -4.376 7.091 5.424 1.00 64.32 H new ATOM 1195 N ARG A 123 -2.541 11.000 2.784 1.00 24.25 N ATOM 1196 CA ARG A 123 -2.420 12.393 2.366 1.00 51.44 C ATOM 1197 C ARG A 123 -3.556 12.768 1.408 1.00 30.03 C ATOM 1198 O ARG A 123 -3.841 13.945 1.189 1.00 35.11 O ATOM 1199 CB ARG A 123 -1.051 12.642 1.714 1.00 12.22 C ATOM 1200 CG ARG A 123 -0.994 12.301 0.231 1.00 0.24 C ATOM 1201 CD ARG A 123 0.434 12.279 -0.295 1.00 71.35 C ATOM 1202 NE ARG A 123 1.183 13.500 0.017 1.00 63.22 N ATOM 1203 CZ ARG A 123 2.119 14.013 -0.784 1.00 4.42 C ATOM 1204 NH1 ARG A 123 2.271 13.530 -2.011 1.00 43.12 N ATOM 1205 NH2 ARG A 123 2.878 15.028 -0.376 1.00 33.20 N ATOM 0 H ARG A 123 -1.809 10.386 2.427 1.00 24.25 H new ATOM 0 HA ARG A 123 -2.497 13.027 3.249 1.00 51.44 H new ATOM 0 HB2 ARG A 123 -0.784 13.691 1.845 1.00 12.22 H new ATOM 0 HB3 ARG A 123 -0.299 12.054 2.240 1.00 12.22 H new ATOM 0 HG2 ARG A 123 -1.456 11.328 0.065 1.00 0.24 H new ATOM 0 HG3 ARG A 123 -1.576 13.031 -0.331 1.00 0.24 H new ATOM 0 HD2 ARG A 123 0.957 11.421 0.128 1.00 71.35 H new ATOM 0 HD3 ARG A 123 0.414 12.139 -1.376 1.00 71.35 H new ATOM 0 HE ARG A 123 0.978 13.983 0.892 1.00 63.22 H new ATOM 0 HH11 ARG A 123 1.674 12.770 -2.338 1.00 43.12 H new ATOM 0 HH12 ARG A 123 2.985 13.919 -2.627 1.00 43.12 H new ATOM 0 HH21 ARG A 123 2.747 15.420 0.556 1.00 33.20 H new ATOM 0 HH22 ARG A 123 3.591 15.413 -0.996 1.00 33.20 H new ATOM 1219 N SER A 124 -4.202 11.756 0.841 1.00 60.32 N ATOM 1220 CA SER A 124 -5.346 11.969 -0.031 1.00 40.12 C ATOM 1221 C SER A 124 -6.571 12.394 0.785 1.00 1.53 C ATOM 1222 O SER A 124 -7.426 13.139 0.298 1.00 11.54 O ATOM 1223 CB SER A 124 -5.642 10.692 -0.824 1.00 41.02 C ATOM 1224 OG SER A 124 -6.657 10.893 -1.796 1.00 44.11 O ATOM 0 H SER A 124 -3.950 10.776 0.972 1.00 60.32 H new ATOM 0 HA SER A 124 -5.111 12.770 -0.732 1.00 40.12 H new ATOM 0 HB2 SER A 124 -4.731 10.352 -1.316 1.00 41.02 H new ATOM 0 HB3 SER A 124 -5.948 9.902 -0.138 1.00 41.02 H new ATOM 0 HG SER A 124 -7.100 10.040 -1.987 1.00 44.11 H new ATOM 1230 N PHE A 125 -6.646 11.933 2.030 1.00 35.25 N ATOM 1231 CA PHE A 125 -7.763 12.280 2.906 1.00 15.30 C ATOM 1232 C PHE A 125 -7.455 13.555 3.675 1.00 53.31 C ATOM 1233 O PHE A 125 -8.117 14.580 3.498 1.00 21.44 O ATOM 1234 CB PHE A 125 -8.062 11.149 3.893 1.00 41.25 C ATOM 1235 CG PHE A 125 -8.479 9.864 3.241 1.00 22.44 C ATOM 1236 CD1 PHE A 125 -9.654 9.791 2.511 1.00 4.13 C ATOM 1237 CD2 PHE A 125 -7.698 8.730 3.363 1.00 54.45 C ATOM 1238 CE1 PHE A 125 -10.042 8.607 1.917 1.00 52.22 C ATOM 1239 CE2 PHE A 125 -8.078 7.545 2.770 1.00 74.01 C ATOM 1240 CZ PHE A 125 -9.251 7.484 2.044 1.00 73.14 C ATOM 0 H PHE A 125 -5.950 11.320 2.455 1.00 35.25 H new ATOM 0 HA PHE A 125 -8.641 12.437 2.279 1.00 15.30 H new ATOM 0 HB2 PHE A 125 -7.175 10.966 4.499 1.00 41.25 H new ATOM 0 HB3 PHE A 125 -8.851 11.472 4.572 1.00 41.25 H new ATOM 0 HD1 PHE A 125 -10.273 10.670 2.406 1.00 4.13 H new ATOM 0 HD2 PHE A 125 -6.779 8.773 3.929 1.00 54.45 H new ATOM 0 HE1 PHE A 125 -10.963 8.560 1.354 1.00 52.22 H new ATOM 0 HE2 PHE A 125 -7.459 6.666 2.873 1.00 74.01 H new ATOM 0 HZ PHE A 125 -9.549 6.558 1.576 1.00 73.14 H new ATOM 1250 N ILE A 126 -6.438 13.492 4.519 1.00 60.11 N ATOM 1251 CA ILE A 126 -6.027 14.650 5.293 1.00 52.13 C ATOM 1252 C ILE A 126 -4.669 15.127 4.822 1.00 22.14 C ATOM 1253 O ILE A 126 -3.771 14.331 4.547 1.00 45.13 O ATOM 1254 CB ILE A 126 -6.002 14.404 6.829 1.00 24.44 C ATOM 1255 CG1 ILE A 126 -4.916 13.393 7.250 1.00 12.34 C ATOM 1256 CG2 ILE A 126 -7.371 13.949 7.316 1.00 14.45 C ATOM 1257 CD1 ILE A 126 -5.255 11.939 6.990 1.00 42.54 C ATOM 0 H ILE A 126 -5.883 12.652 4.685 1.00 60.11 H new ATOM 0 HA ILE A 126 -6.782 15.418 5.121 1.00 52.13 H new ATOM 0 HB ILE A 126 -5.750 15.354 7.300 1.00 24.44 H new ATOM 0 HG12 ILE A 126 -3.993 13.634 6.723 1.00 12.34 H new ATOM 0 HG13 ILE A 126 -4.718 13.519 8.314 1.00 12.34 H new ATOM 0 HG21 ILE A 126 -7.337 13.781 8.392 1.00 14.45 H new ATOM 0 HG22 ILE A 126 -8.111 14.717 7.092 1.00 14.45 H new ATOM 0 HG23 ILE A 126 -7.647 13.022 6.813 1.00 14.45 H new ATOM 0 HD11 ILE A 126 -4.430 11.308 7.320 1.00 42.54 H new ATOM 0 HD12 ILE A 126 -6.158 11.672 7.539 1.00 42.54 H new ATOM 0 HD13 ILE A 126 -5.422 11.789 5.923 1.00 42.54 H new ATOM 1269 N GLN A 127 -4.529 16.430 4.722 1.00 71.45 N ATOM 1270 CA GLN A 127 -3.347 17.015 4.142 1.00 41.42 C ATOM 1271 C GLN A 127 -2.979 18.294 4.873 1.00 35.44 C ATOM 1272 O GLN A 127 -3.621 19.331 4.710 1.00 43.33 O ATOM 1273 CB GLN A 127 -3.591 17.279 2.658 1.00 30.13 C ATOM 1274 CG GLN A 127 -2.398 17.848 1.912 1.00 74.14 C ATOM 1275 CD GLN A 127 -1.156 16.985 2.029 1.00 73.45 C ATOM 1276 OE1 GLN A 127 -0.939 16.067 1.238 1.00 51.32 O ATOM 1277 NE2 GLN A 127 -0.318 17.290 3.003 1.00 4.11 N ATOM 0 H GLN A 127 -5.225 17.106 5.038 1.00 71.45 H new ATOM 0 HA GLN A 127 -2.510 16.324 4.242 1.00 41.42 H new ATOM 0 HB2 GLN A 127 -3.889 16.346 2.181 1.00 30.13 H new ATOM 0 HB3 GLN A 127 -4.428 17.970 2.558 1.00 30.13 H new ATOM 0 HG2 GLN A 127 -2.656 17.962 0.859 1.00 74.14 H new ATOM 0 HG3 GLN A 127 -2.178 18.844 2.296 1.00 74.14 H new ATOM 0 HE21 GLN A 127 -0.533 18.058 3.639 1.00 4.11 H new ATOM 0 HE22 GLN A 127 0.544 16.757 3.119 1.00 4.11 H new ATOM 1286 N PHE A 128 -1.959 18.192 5.702 1.00 2.43 N ATOM 1287 CA PHE A 128 -1.450 19.329 6.450 1.00 74.12 C ATOM 1288 C PHE A 128 -0.452 20.086 5.588 1.00 53.14 C ATOM 1289 O PHE A 128 -0.348 19.820 4.387 1.00 55.31 O ATOM 1290 CB PHE A 128 -0.782 18.846 7.739 1.00 53.54 C ATOM 1291 CG PHE A 128 -1.683 18.009 8.609 1.00 20.02 C ATOM 1292 CD1 PHE A 128 -2.002 16.705 8.252 1.00 73.43 C ATOM 1293 CD2 PHE A 128 -2.202 18.520 9.785 1.00 23.42 C ATOM 1294 CE1 PHE A 128 -2.819 15.933 9.054 1.00 14.33 C ATOM 1295 CE2 PHE A 128 -3.021 17.751 10.589 1.00 32.11 C ATOM 1296 CZ PHE A 128 -3.331 16.457 10.222 1.00 53.35 C ATOM 0 H PHE A 128 -1.459 17.321 5.877 1.00 2.43 H new ATOM 0 HA PHE A 128 -2.272 19.994 6.715 1.00 74.12 H new ATOM 0 HB2 PHE A 128 0.104 18.265 7.483 1.00 53.54 H new ATOM 0 HB3 PHE A 128 -0.443 19.711 8.308 1.00 53.54 H new ATOM 0 HD1 PHE A 128 -1.606 16.290 7.337 1.00 73.43 H new ATOM 0 HD2 PHE A 128 -1.964 19.532 10.078 1.00 23.42 H new ATOM 0 HE1 PHE A 128 -3.057 14.919 8.767 1.00 14.33 H new ATOM 0 HE2 PHE A 128 -3.419 18.162 11.505 1.00 32.11 H new ATOM 0 HZ PHE A 128 -3.973 15.856 10.849 1.00 53.35 H new ATOM 1306 N LYS A 129 0.287 21.011 6.183 1.00 2.11 N ATOM 1307 CA LYS A 129 1.321 21.731 5.456 1.00 74.54 C ATOM 1308 C LYS A 129 2.539 20.833 5.262 1.00 2.35 C ATOM 1309 O LYS A 129 3.605 21.051 5.836 1.00 14.34 O ATOM 1310 CB LYS A 129 1.697 23.024 6.183 1.00 41.05 C ATOM 1311 CG LYS A 129 2.648 23.924 5.406 1.00 74.34 C ATOM 1312 CD LYS A 129 2.118 24.242 4.016 1.00 60.15 C ATOM 1313 CE LYS A 129 0.769 24.943 4.067 1.00 63.14 C ATOM 1314 NZ LYS A 129 0.229 25.194 2.706 1.00 51.54 N ATOM 0 H LYS A 129 0.190 21.279 7.162 1.00 2.11 H new ATOM 0 HA LYS A 129 0.935 22.007 4.475 1.00 74.54 H new ATOM 0 HB2 LYS A 129 0.787 23.581 6.404 1.00 41.05 H new ATOM 0 HB3 LYS A 129 2.155 22.770 7.139 1.00 41.05 H new ATOM 0 HG2 LYS A 129 2.802 24.852 5.957 1.00 74.34 H new ATOM 0 HG3 LYS A 129 3.620 23.438 5.322 1.00 74.34 H new ATOM 0 HD2 LYS A 129 2.835 24.873 3.490 1.00 60.15 H new ATOM 0 HD3 LYS A 129 2.026 23.319 3.443 1.00 60.15 H new ATOM 0 HE2 LYS A 129 0.063 24.334 4.632 1.00 63.14 H new ATOM 0 HE3 LYS A 129 0.870 25.889 4.599 1.00 63.14 H new ATOM 0 HZ1 LYS A 129 -0.691 25.673 2.780 1.00 51.54 H new ATOM 0 HZ2 LYS A 129 0.891 25.796 2.176 1.00 51.54 H new ATOM 0 HZ3 LYS A 129 0.109 24.289 2.208 1.00 51.54 H new ATOM 1328 N ASP A 130 2.339 19.793 4.477 1.00 64.04 N ATOM 1329 CA ASP A 130 3.397 18.864 4.123 1.00 54.03 C ATOM 1330 C ASP A 130 4.112 19.362 2.880 1.00 45.33 C ATOM 1331 O ASP A 130 5.318 19.613 2.901 1.00 73.12 O ATOM 1332 CB ASP A 130 2.796 17.471 3.890 1.00 0.44 C ATOM 1333 CG ASP A 130 3.708 16.539 3.117 1.00 34.34 C ATOM 1334 OD1 ASP A 130 4.658 15.996 3.713 1.00 50.00 O ATOM 1335 OD2 ASP A 130 3.459 16.338 1.908 1.00 71.43 O ATOM 0 H ASP A 130 1.434 19.566 4.064 1.00 64.04 H new ATOM 0 HA ASP A 130 4.122 18.797 4.934 1.00 54.03 H new ATOM 0 HB2 ASP A 130 2.562 17.020 4.854 1.00 0.44 H new ATOM 0 HB3 ASP A 130 1.855 17.576 3.350 1.00 0.44 H new ATOM 1340 N GLY A 131 3.334 19.539 1.816 1.00 13.05 N ATOM 1341 CA GLY A 131 3.858 20.025 0.550 1.00 1.54 C ATOM 1342 C GLY A 131 5.101 19.290 0.083 1.00 41.13 C ATOM 1343 O GLY A 131 5.971 19.885 -0.555 1.00 61.13 O ATOM 0 H GLY A 131 2.332 19.351 1.809 1.00 13.05 H new ATOM 0 HA2 GLY A 131 3.084 19.934 -0.213 1.00 1.54 H new ATOM 0 HA3 GLY A 131 4.088 21.086 0.645 1.00 1.54 H new ATOM 1347 N ALA A 132 5.200 18.006 0.399 1.00 34.23 N ATOM 1348 CA ALA A 132 6.369 17.229 0.025 1.00 14.23 C ATOM 1349 C ALA A 132 6.218 16.668 -1.377 1.00 70.01 C ATOM 1350 O ALA A 132 5.161 16.147 -1.741 1.00 5.22 O ATOM 1351 CB ALA A 132 6.609 16.108 1.019 1.00 25.01 C ATOM 0 H ALA A 132 4.488 17.485 0.911 1.00 34.23 H new ATOM 0 HA ALA A 132 7.233 17.893 0.038 1.00 14.23 H new ATOM 0 HB1 ALA A 132 7.489 15.539 0.720 1.00 25.01 H new ATOM 0 HB2 ALA A 132 6.770 16.530 2.011 1.00 25.01 H new ATOM 0 HB3 ALA A 132 5.741 15.449 1.041 1.00 25.01 H new ATOM 1357 N VAL A 133 7.288 16.759 -2.155 1.00 0.20 N ATOM 1358 CA VAL A 133 7.278 16.283 -3.529 1.00 13.31 C ATOM 1359 C VAL A 133 7.788 14.853 -3.599 1.00 1.15 C ATOM 1360 O VAL A 133 8.153 14.356 -4.662 1.00 52.44 O ATOM 1361 CB VAL A 133 8.120 17.185 -4.461 1.00 43.00 C ATOM 1362 CG1 VAL A 133 7.512 18.578 -4.553 1.00 31.22 C ATOM 1363 CG2 VAL A 133 9.564 17.264 -3.982 1.00 21.11 C ATOM 0 H VAL A 133 8.177 17.160 -1.855 1.00 0.20 H new ATOM 0 HA VAL A 133 6.245 16.318 -3.874 1.00 13.31 H new ATOM 0 HB VAL A 133 8.115 16.740 -5.456 1.00 43.00 H new ATOM 0 HG11 VAL A 133 8.119 19.197 -5.213 1.00 31.22 H new ATOM 0 HG12 VAL A 133 6.500 18.508 -4.951 1.00 31.22 H new ATOM 0 HG13 VAL A 133 7.481 19.028 -3.561 1.00 31.22 H new ATOM 0 HG21 VAL A 133 10.136 17.904 -4.654 1.00 21.11 H new ATOM 0 HG22 VAL A 133 9.591 17.679 -2.975 1.00 21.11 H new ATOM 0 HG23 VAL A 133 10.000 16.265 -3.974 1.00 21.11 H new ATOM 1373 N LEU A 134 7.790 14.196 -2.454 1.00 12.40 N ATOM 1374 CA LEU A 134 8.203 12.806 -2.371 1.00 1.13 C ATOM 1375 C LEU A 134 7.039 11.930 -2.816 1.00 31.22 C ATOM 1376 O LEU A 134 6.192 11.539 -2.012 1.00 40.13 O ATOM 1377 CB LEU A 134 8.640 12.459 -0.938 1.00 14.21 C ATOM 1378 CG LEU A 134 9.574 11.247 -0.783 1.00 15.14 C ATOM 1379 CD1 LEU A 134 10.147 11.203 0.624 1.00 23.43 C ATOM 1380 CD2 LEU A 134 8.848 9.945 -1.087 1.00 62.31 C ATOM 0 H LEU A 134 7.509 14.605 -1.563 1.00 12.40 H new ATOM 0 HA LEU A 134 9.059 12.631 -3.023 1.00 1.13 H new ATOM 0 HB2 LEU A 134 9.137 13.330 -0.512 1.00 14.21 H new ATOM 0 HB3 LEU A 134 7.745 12.279 -0.342 1.00 14.21 H new ATOM 0 HG LEU A 134 10.387 11.358 -1.501 1.00 15.14 H new ATOM 0 HD11 LEU A 134 10.807 10.341 0.721 1.00 23.43 H new ATOM 0 HD12 LEU A 134 10.712 12.115 0.816 1.00 23.43 H new ATOM 0 HD13 LEU A 134 9.334 11.121 1.346 1.00 23.43 H new ATOM 0 HD21 LEU A 134 9.536 9.108 -0.968 1.00 62.31 H new ATOM 0 HD22 LEU A 134 8.010 9.826 -0.400 1.00 62.31 H new ATOM 0 HD23 LEU A 134 8.476 9.966 -2.111 1.00 62.31 H new ATOM 1392 N SER A 135 6.967 11.687 -4.113 1.00 1.13 N ATOM 1393 CA SER A 135 5.895 10.895 -4.692 1.00 1.10 C ATOM 1394 C SER A 135 6.377 10.233 -5.978 1.00 20.24 C ATOM 1395 O SER A 135 6.464 10.879 -7.022 1.00 12.22 O ATOM 1396 CB SER A 135 4.670 11.775 -4.972 1.00 34.41 C ATOM 1397 OG SER A 135 4.242 12.441 -3.793 1.00 70.02 O ATOM 0 H SER A 135 7.646 12.031 -4.792 1.00 1.13 H new ATOM 0 HA SER A 135 5.606 10.120 -3.982 1.00 1.10 H new ATOM 0 HB2 SER A 135 4.913 12.509 -5.741 1.00 34.41 H new ATOM 0 HB3 SER A 135 3.858 11.161 -5.362 1.00 34.41 H new ATOM 0 HG SER A 135 4.434 13.399 -3.871 1.00 70.02 H new ATOM 1403 N PRO A 136 6.734 8.944 -5.906 1.00 73.11 N ATOM 1404 CA PRO A 136 7.216 8.191 -7.063 1.00 65.23 C ATOM 1405 C PRO A 136 6.115 7.972 -8.093 1.00 2.10 C ATOM 1406 O PRO A 136 5.149 7.248 -7.845 1.00 3.03 O ATOM 1407 CB PRO A 136 7.670 6.848 -6.471 1.00 34.30 C ATOM 1408 CG PRO A 136 7.720 7.056 -4.996 1.00 3.04 C ATOM 1409 CD PRO A 136 6.705 8.119 -4.694 1.00 72.25 C ATOM 0 HA PRO A 136 8.011 8.719 -7.589 1.00 65.23 H new ATOM 0 HB2 PRO A 136 6.974 6.050 -6.731 1.00 34.30 H new ATOM 0 HB3 PRO A 136 8.647 6.559 -6.859 1.00 34.30 H new ATOM 0 HG2 PRO A 136 7.489 6.133 -4.464 1.00 3.04 H new ATOM 0 HG3 PRO A 136 8.716 7.366 -4.679 1.00 3.04 H new ATOM 0 HD2 PRO A 136 5.716 7.696 -4.515 1.00 72.25 H new ATOM 0 HD3 PRO A 136 6.971 8.693 -3.807 1.00 72.25 H new ATOM 1417 N LEU A 137 6.252 8.617 -9.236 1.00 24.43 N ATOM 1418 CA LEU A 137 5.283 8.475 -10.311 1.00 43.13 C ATOM 1419 C LEU A 137 5.761 7.442 -11.325 1.00 72.53 C ATOM 1420 O LEU A 137 6.473 7.777 -12.272 1.00 32.24 O ATOM 1421 CB LEU A 137 5.039 9.820 -10.999 1.00 11.34 C ATOM 1422 CG LEU A 137 4.495 10.926 -10.091 1.00 30.21 C ATOM 1423 CD1 LEU A 137 4.339 12.224 -10.867 1.00 10.32 C ATOM 1424 CD2 LEU A 137 3.164 10.513 -9.473 1.00 65.34 C ATOM 0 H LEU A 137 7.026 9.247 -9.446 1.00 24.43 H new ATOM 0 HA LEU A 137 4.342 8.132 -9.880 1.00 43.13 H new ATOM 0 HB2 LEU A 137 5.976 10.161 -11.439 1.00 11.34 H new ATOM 0 HB3 LEU A 137 4.338 9.668 -11.820 1.00 11.34 H new ATOM 0 HG LEU A 137 5.211 11.087 -9.285 1.00 30.21 H new ATOM 0 HD11 LEU A 137 3.951 12.999 -10.206 1.00 10.32 H new ATOM 0 HD12 LEU A 137 5.308 12.533 -11.258 1.00 10.32 H new ATOM 0 HD13 LEU A 137 3.645 12.072 -11.694 1.00 10.32 H new ATOM 0 HD21 LEU A 137 2.796 11.314 -8.832 1.00 65.34 H new ATOM 0 HD22 LEU A 137 2.440 10.320 -10.264 1.00 65.34 H new ATOM 0 HD23 LEU A 137 3.303 9.609 -8.880 1.00 65.34 H new ATOM 1436 N LYS A 138 5.373 6.189 -11.095 1.00 44.35 N ATOM 1437 CA LYS A 138 5.766 5.062 -11.943 1.00 54.32 C ATOM 1438 C LYS A 138 7.285 4.985 -12.122 1.00 22.35 C ATOM 1439 O LYS A 138 7.821 5.340 -13.174 1.00 24.35 O ATOM 1440 CB LYS A 138 5.072 5.136 -13.306 1.00 72.02 C ATOM 1441 CG LYS A 138 3.553 5.170 -13.214 1.00 3.03 C ATOM 1442 CD LYS A 138 2.907 5.210 -14.588 1.00 51.21 C ATOM 1443 CE LYS A 138 3.344 6.436 -15.374 1.00 74.13 C ATOM 1444 NZ LYS A 138 2.721 6.478 -16.719 1.00 45.23 N ATOM 0 H LYS A 138 4.775 5.924 -10.312 1.00 44.35 H new ATOM 0 HA LYS A 138 5.446 4.152 -11.436 1.00 54.32 H new ATOM 0 HB2 LYS A 138 5.416 6.027 -13.832 1.00 72.02 H new ATOM 0 HB3 LYS A 138 5.372 4.276 -13.905 1.00 72.02 H new ATOM 0 HG2 LYS A 138 3.202 4.292 -12.672 1.00 3.03 H new ATOM 0 HG3 LYS A 138 3.243 6.044 -12.641 1.00 3.03 H new ATOM 0 HD2 LYS A 138 3.171 4.309 -15.141 1.00 51.21 H new ATOM 0 HD3 LYS A 138 1.822 5.213 -14.481 1.00 51.21 H new ATOM 0 HE2 LYS A 138 3.077 7.337 -14.821 1.00 74.13 H new ATOM 0 HE3 LYS A 138 4.429 6.435 -15.476 1.00 74.13 H new ATOM 0 HZ1 LYS A 138 3.043 7.328 -17.224 1.00 45.23 H new ATOM 0 HZ2 LYS A 138 2.996 5.631 -17.256 1.00 45.23 H new ATOM 0 HZ3 LYS A 138 1.686 6.505 -16.621 1.00 45.23 H new ATOM 1458 N PRO A 139 7.998 4.528 -11.082 1.00 62.25 N ATOM 1459 CA PRO A 139 9.443 4.398 -11.115 1.00 31.34 C ATOM 1460 C PRO A 139 9.888 3.026 -11.618 1.00 12.15 C ATOM 1461 O PRO A 139 9.821 2.031 -10.894 1.00 63.12 O ATOM 1462 CB PRO A 139 9.832 4.602 -9.650 1.00 12.44 C ATOM 1463 CG PRO A 139 8.637 4.178 -8.846 1.00 61.44 C ATOM 1464 CD PRO A 139 7.453 4.096 -9.786 1.00 63.22 C ATOM 0 HA PRO A 139 9.914 5.105 -11.797 1.00 31.34 H new ATOM 0 HB2 PRO A 139 10.708 4.007 -9.392 1.00 12.44 H new ATOM 0 HB3 PRO A 139 10.085 5.644 -9.454 1.00 12.44 H new ATOM 0 HG2 PRO A 139 8.817 3.212 -8.374 1.00 61.44 H new ATOM 0 HG3 PRO A 139 8.441 4.892 -8.046 1.00 61.44 H new ATOM 0 HD2 PRO A 139 7.054 3.083 -9.838 1.00 63.22 H new ATOM 0 HD3 PRO A 139 6.639 4.743 -9.460 1.00 63.22 H new ATOM 1472 N ALA A 140 10.323 2.977 -12.869 1.00 1.23 N ATOM 1473 CA ALA A 140 10.783 1.735 -13.463 1.00 11.42 C ATOM 1474 C ALA A 140 12.299 1.626 -13.361 1.00 2.15 C ATOM 1475 O ALA A 140 12.792 1.209 -12.292 1.00 38.56 O ATOM 1476 CB ALA A 140 10.329 1.639 -14.913 1.00 30.11 C ATOM 1477 OXT ALA A 140 12.993 1.974 -14.338 1.00 38.56 O ATOM 0 H ALA A 140 10.366 3.785 -13.491 1.00 1.23 H new ATOM 0 HA ALA A 140 10.344 0.902 -12.913 1.00 11.42 H new ATOM 0 HB1 ALA A 140 10.682 0.702 -15.344 1.00 30.11 H new ATOM 0 HB2 ALA A 140 9.240 1.671 -14.956 1.00 30.11 H new ATOM 0 HB3 ALA A 140 10.739 2.476 -15.479 1.00 30.11 H new TER 1483 ALA A 140