USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 675 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 38 SER OG : rot 49:sc= 1.3 USER MOD Set 1.2: A 41 LYS NZ :NH3+ -121:sc= -0.339 (180deg=-2.55!) USER MOD Set 2.1: A 14 TYR OH : rot 180:sc= 1 USER MOD Set 2.2: A 61 LYS NZ :NH3+ -151:sc= 1.31 (180deg=-0.17) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc=-0.00552 K(o=-0.0055,f=-1.6!) USER MOD Single : A -1 SER OG : rot 42:sc= 0.194 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 SER OG : rot 180:sc= 0 USER MOD Single : A -5 SER OG : rot 180:sc=-0.00123 USER MOD Single : A -6 GLY N :NH3+ 137:sc= 0.0255 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 32:sc= 0.591 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -116:sc= -0.819 (180deg=-2.03!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -13:sc= 0.686 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.599 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 66 ASN : amide:sc= -0.0103 X(o=-0.01,f=-0.35) USER MOD Single : A 68 GLN : amide:sc= -0.084 K(o=-0.084,f=-1.9!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot 180:sc=-0.000845 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 34:sc= 0.567 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -6 21.228 -21.267 -8.006 1.00 0.00 N ATOM 2 CA GLY A -6 21.769 -20.818 -9.275 1.00 0.00 C ATOM 3 C GLY A -6 22.610 -19.565 -9.136 1.00 0.00 C ATOM 4 O GLY A -6 22.333 -18.714 -8.292 1.00 0.00 O ATOM 0 H1 GLY A -6 20.235 -21.548 -8.132 1.00 0.00 H new ATOM 0 H2 GLY A -6 21.777 -22.081 -7.663 1.00 0.00 H new ATOM 0 H3 GLY A -6 21.284 -20.494 -7.312 1.00 0.00 H new ATOM 0 HA2 GLY A -6 22.376 -21.613 -9.709 1.00 0.00 H new ATOM 0 HA3 GLY A -6 20.950 -20.627 -9.968 1.00 0.00 H new ATOM 8 N SER A -5 23.643 -19.453 -9.966 1.00 0.00 N ATOM 9 CA SER A -5 24.531 -18.297 -9.929 1.00 0.00 C ATOM 10 C SER A -5 24.498 -17.543 -11.255 1.00 0.00 C ATOM 11 O SER A -5 24.208 -18.120 -12.303 1.00 0.00 O ATOM 12 CB SER A -5 25.962 -18.737 -9.615 1.00 0.00 C ATOM 13 OG SER A -5 26.846 -17.630 -9.603 1.00 0.00 O ATOM 0 H SER A -5 23.885 -20.149 -10.672 1.00 0.00 H new ATOM 0 HA SER A -5 24.183 -17.628 -9.142 1.00 0.00 H new ATOM 0 HB2 SER A -5 25.988 -19.237 -8.647 1.00 0.00 H new ATOM 0 HB3 SER A -5 26.294 -19.463 -10.357 1.00 0.00 H new ATOM 0 HG SER A -5 27.753 -17.938 -9.398 1.00 0.00 H new ATOM 19 N SER A -4 24.796 -16.249 -11.200 1.00 0.00 N ATOM 20 CA SER A -4 24.797 -15.413 -12.395 1.00 0.00 C ATOM 21 C SER A -4 26.201 -15.311 -12.985 1.00 0.00 C ATOM 22 O SER A -4 27.087 -14.688 -12.403 1.00 0.00 O ATOM 23 CB SER A -4 24.267 -14.016 -12.067 1.00 0.00 C ATOM 24 OG SER A -4 24.413 -13.143 -13.173 1.00 0.00 O ATOM 0 H SER A -4 25.040 -15.757 -10.341 1.00 0.00 H new ATOM 0 HA SER A -4 24.143 -15.877 -13.134 1.00 0.00 H new ATOM 0 HB2 SER A -4 23.216 -14.079 -11.786 1.00 0.00 H new ATOM 0 HB3 SER A -4 24.803 -13.613 -11.208 1.00 0.00 H new ATOM 0 HG SER A -4 24.066 -12.257 -12.939 1.00 0.00 H new ATOM 30 N GLY A -3 26.394 -15.929 -14.147 1.00 0.00 N ATOM 31 CA GLY A -3 27.690 -15.897 -14.798 1.00 0.00 C ATOM 32 C GLY A -3 27.601 -16.188 -16.283 1.00 0.00 C ATOM 33 O GLY A -3 28.007 -17.257 -16.738 1.00 0.00 O ATOM 0 H GLY A -3 25.675 -16.451 -14.649 1.00 0.00 H new ATOM 0 HA2 GLY A -3 28.143 -14.917 -14.650 1.00 0.00 H new ATOM 0 HA3 GLY A -3 28.348 -16.627 -14.327 1.00 0.00 H new ATOM 37 N SER A -2 27.066 -15.235 -17.040 1.00 0.00 N ATOM 38 CA SER A -2 26.920 -15.396 -18.482 1.00 0.00 C ATOM 39 C SER A -2 26.525 -14.077 -19.138 1.00 0.00 C ATOM 40 O SER A -2 26.122 -13.130 -18.462 1.00 0.00 O ATOM 41 CB SER A -2 25.872 -16.467 -18.792 1.00 0.00 C ATOM 42 OG SER A -2 24.561 -15.973 -18.583 1.00 0.00 O ATOM 0 H SER A -2 26.727 -14.344 -16.679 1.00 0.00 H new ATOM 0 HA SER A -2 27.882 -15.710 -18.888 1.00 0.00 H new ATOM 0 HB2 SER A -2 25.979 -16.797 -19.825 1.00 0.00 H new ATOM 0 HB3 SER A -2 26.041 -17.339 -18.160 1.00 0.00 H new ATOM 0 HG SER A -2 23.910 -16.676 -18.790 1.00 0.00 H new ATOM 48 N SER A -1 26.643 -14.023 -20.461 1.00 0.00 N ATOM 49 CA SER A -1 26.302 -12.819 -21.211 1.00 0.00 C ATOM 50 C SER A -1 24.829 -12.825 -21.608 1.00 0.00 C ATOM 51 O SER A -1 24.364 -13.733 -22.295 1.00 0.00 O ATOM 52 CB SER A -1 27.179 -12.705 -22.459 1.00 0.00 C ATOM 53 OG SER A -1 27.153 -13.906 -23.212 1.00 0.00 O ATOM 0 H SER A -1 26.972 -14.799 -21.036 1.00 0.00 H new ATOM 0 HA SER A -1 26.483 -11.957 -20.569 1.00 0.00 H new ATOM 0 HB2 SER A -1 26.832 -11.877 -23.077 1.00 0.00 H new ATOM 0 HB3 SER A -1 28.204 -12.477 -22.167 1.00 0.00 H new ATOM 0 HG SER A -1 26.237 -14.253 -23.243 1.00 0.00 H new ATOM 59 N GLY A 1 24.100 -11.803 -21.170 1.00 0.00 N ATOM 60 CA GLY A 1 22.688 -11.709 -21.488 1.00 0.00 C ATOM 61 C GLY A 1 21.808 -11.804 -20.258 1.00 0.00 C ATOM 62 O GLY A 1 22.126 -12.499 -19.293 1.00 0.00 O ATOM 0 H GLY A 1 24.463 -11.038 -20.600 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.496 -10.764 -21.996 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.422 -12.505 -22.183 1.00 0.00 H new ATOM 66 N PRO A 2 20.673 -11.090 -20.281 1.00 0.00 N ATOM 67 CA PRO A 2 19.722 -11.079 -19.165 1.00 0.00 C ATOM 68 C PRO A 2 18.996 -12.411 -19.009 1.00 0.00 C ATOM 69 O PRO A 2 18.750 -13.128 -19.979 1.00 0.00 O ATOM 70 CB PRO A 2 18.735 -9.974 -19.551 1.00 0.00 C ATOM 71 CG PRO A 2 18.809 -9.902 -21.037 1.00 0.00 C ATOM 72 CD PRO A 2 20.230 -10.238 -21.398 1.00 0.00 C ATOM 0 HA PRO A 2 20.218 -10.912 -18.209 1.00 0.00 H new ATOM 0 HB2 PRO A 2 17.725 -10.211 -19.216 1.00 0.00 H new ATOM 0 HB3 PRO A 2 19.008 -9.022 -19.094 1.00 0.00 H new ATOM 0 HG2 PRO A 2 18.113 -10.604 -21.497 1.00 0.00 H new ATOM 0 HG3 PRO A 2 18.541 -8.907 -21.393 1.00 0.00 H new ATOM 0 HD2 PRO A 2 20.289 -10.763 -22.352 1.00 0.00 H new ATOM 0 HD3 PRO A 2 20.844 -9.342 -21.488 1.00 0.00 H new ATOM 80 N PRO A 3 18.644 -12.751 -17.760 1.00 0.00 N ATOM 81 CA PRO A 3 17.940 -13.998 -17.448 1.00 0.00 C ATOM 82 C PRO A 3 16.503 -13.996 -17.958 1.00 0.00 C ATOM 83 O PRO A 3 15.777 -13.014 -17.796 1.00 0.00 O ATOM 84 CB PRO A 3 17.965 -14.046 -15.918 1.00 0.00 C ATOM 85 CG PRO A 3 18.084 -12.623 -15.496 1.00 0.00 C ATOM 86 CD PRO A 3 18.905 -11.943 -16.557 1.00 0.00 C ATOM 0 HA PRO A 3 18.408 -14.860 -17.923 1.00 0.00 H new ATOM 0 HB2 PRO A 3 17.058 -14.502 -15.521 1.00 0.00 H new ATOM 0 HB3 PRO A 3 18.805 -14.638 -15.554 1.00 0.00 H new ATOM 0 HG2 PRO A 3 17.102 -12.159 -15.406 1.00 0.00 H new ATOM 0 HG3 PRO A 3 18.564 -12.544 -14.521 1.00 0.00 H new ATOM 0 HD2 PRO A 3 18.602 -10.905 -16.696 1.00 0.00 H new ATOM 0 HD3 PRO A 3 19.964 -11.934 -16.301 1.00 0.00 H new ATOM 94 N LYS A 4 16.097 -15.101 -18.573 1.00 0.00 N ATOM 95 CA LYS A 4 14.745 -15.228 -19.105 1.00 0.00 C ATOM 96 C LYS A 4 13.715 -15.230 -17.980 1.00 0.00 C ATOM 97 O LYS A 4 14.069 -15.214 -16.801 1.00 0.00 O ATOM 98 CB LYS A 4 14.618 -16.512 -19.929 1.00 0.00 C ATOM 99 CG LYS A 4 14.496 -17.768 -19.084 1.00 0.00 C ATOM 100 CD LYS A 4 15.835 -18.172 -18.489 1.00 0.00 C ATOM 101 CE LYS A 4 15.847 -19.639 -18.089 1.00 0.00 C ATOM 102 NZ LYS A 4 17.231 -20.182 -18.011 1.00 0.00 N ATOM 0 H LYS A 4 16.685 -15.922 -18.716 1.00 0.00 H new ATOM 0 HA LYS A 4 14.553 -14.369 -19.748 1.00 0.00 H new ATOM 0 HB2 LYS A 4 13.744 -16.433 -20.576 1.00 0.00 H new ATOM 0 HB3 LYS A 4 15.488 -16.604 -20.578 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.777 -17.600 -18.283 1.00 0.00 H new ATOM 0 HG3 LYS A 4 14.108 -18.583 -19.695 1.00 0.00 H new ATOM 0 HD2 LYS A 4 16.628 -17.985 -19.213 1.00 0.00 H new ATOM 0 HD3 LYS A 4 16.048 -17.554 -17.617 1.00 0.00 H new ATOM 0 HE2 LYS A 4 15.356 -19.756 -17.123 1.00 0.00 H new ATOM 0 HE3 LYS A 4 15.270 -20.217 -18.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 17.196 -21.184 -17.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 17.691 -20.094 -18.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 17.774 -19.647 -17.303 1.00 0.00 H new ATOM 116 N PHE A 5 12.439 -15.250 -18.352 1.00 0.00 N ATOM 117 CA PHE A 5 11.358 -15.255 -17.373 1.00 0.00 C ATOM 118 C PHE A 5 10.930 -16.681 -17.042 1.00 0.00 C ATOM 119 O PHE A 5 10.943 -17.561 -17.903 1.00 0.00 O ATOM 120 CB PHE A 5 10.161 -14.461 -17.901 1.00 0.00 C ATOM 121 CG PHE A 5 9.686 -14.919 -19.250 1.00 0.00 C ATOM 122 CD1 PHE A 5 9.091 -16.160 -19.405 1.00 0.00 C ATOM 123 CD2 PHE A 5 9.835 -14.108 -20.363 1.00 0.00 C ATOM 124 CE1 PHE A 5 8.652 -16.585 -20.645 1.00 0.00 C ATOM 125 CE2 PHE A 5 9.397 -14.526 -21.606 1.00 0.00 C ATOM 126 CZ PHE A 5 8.806 -15.767 -21.747 1.00 0.00 C ATOM 0 H PHE A 5 12.129 -15.263 -19.324 1.00 0.00 H new ATOM 0 HA PHE A 5 11.725 -14.784 -16.461 1.00 0.00 H new ATOM 0 HB2 PHE A 5 9.340 -14.541 -17.189 1.00 0.00 H new ATOM 0 HB3 PHE A 5 10.431 -13.407 -17.959 1.00 0.00 H new ATOM 0 HD1 PHE A 5 8.968 -16.804 -18.546 1.00 0.00 H new ATOM 0 HD2 PHE A 5 10.299 -13.138 -20.259 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.189 -17.555 -20.752 1.00 0.00 H new ATOM 0 HE2 PHE A 5 9.517 -13.883 -22.466 1.00 0.00 H new ATOM 0 HZ PHE A 5 8.465 -16.097 -22.717 1.00 0.00 H new ATOM 136 N ASP A 6 10.552 -16.903 -15.788 1.00 0.00 N ATOM 137 CA ASP A 6 10.120 -18.222 -15.341 1.00 0.00 C ATOM 138 C ASP A 6 8.986 -18.108 -14.327 1.00 0.00 C ATOM 139 O ASP A 6 8.942 -17.189 -13.509 1.00 0.00 O ATOM 140 CB ASP A 6 11.294 -18.987 -14.728 1.00 0.00 C ATOM 141 CG ASP A 6 12.401 -19.249 -15.730 1.00 0.00 C ATOM 142 OD1 ASP A 6 12.144 -19.958 -16.726 1.00 0.00 O ATOM 143 OD2 ASP A 6 13.523 -18.745 -15.519 1.00 0.00 O ATOM 0 H ASP A 6 10.536 -16.186 -15.063 1.00 0.00 H new ATOM 0 HA ASP A 6 9.753 -18.770 -16.209 1.00 0.00 H new ATOM 0 HB2 ASP A 6 11.695 -18.419 -13.888 1.00 0.00 H new ATOM 0 HB3 ASP A 6 10.937 -19.936 -14.329 1.00 0.00 H new ATOM 148 N PRO A 7 8.044 -19.062 -14.382 1.00 0.00 N ATOM 149 CA PRO A 7 6.892 -19.090 -13.476 1.00 0.00 C ATOM 150 C PRO A 7 7.290 -19.427 -12.043 1.00 0.00 C ATOM 151 O PRO A 7 6.919 -18.723 -11.105 1.00 0.00 O ATOM 152 CB PRO A 7 6.008 -20.195 -14.060 1.00 0.00 C ATOM 153 CG PRO A 7 6.950 -21.083 -14.797 1.00 0.00 C ATOM 154 CD PRO A 7 8.032 -20.187 -15.332 1.00 0.00 C ATOM 0 HA PRO A 7 6.399 -18.120 -13.413 1.00 0.00 H new ATOM 0 HB2 PRO A 7 5.483 -20.739 -13.275 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.248 -19.784 -14.725 1.00 0.00 H new ATOM 0 HG2 PRO A 7 7.365 -21.845 -14.137 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.441 -21.606 -15.607 1.00 0.00 H new ATOM 0 HD2 PRO A 7 8.995 -20.696 -15.365 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.813 -19.854 -16.346 1.00 0.00 H new ATOM 162 N ASN A 8 8.046 -20.508 -11.882 1.00 0.00 N ATOM 163 CA ASN A 8 8.493 -20.938 -10.563 1.00 0.00 C ATOM 164 C ASN A 8 8.928 -19.743 -9.719 1.00 0.00 C ATOM 165 O ASN A 8 8.297 -19.419 -8.714 1.00 0.00 O ATOM 166 CB ASN A 8 9.649 -21.932 -10.692 1.00 0.00 C ATOM 167 CG ASN A 8 9.186 -23.299 -11.158 1.00 0.00 C ATOM 168 OD1 ASN A 8 7.990 -23.591 -11.171 1.00 0.00 O ATOM 169 ND2 ASN A 8 10.135 -24.146 -11.541 1.00 0.00 N ATOM 0 H ASN A 8 8.362 -21.102 -12.649 1.00 0.00 H new ATOM 0 HA ASN A 8 7.656 -21.427 -10.065 1.00 0.00 H new ATOM 0 HB2 ASN A 8 10.384 -21.541 -11.395 1.00 0.00 H new ATOM 0 HB3 ASN A 8 10.150 -22.030 -9.729 1.00 0.00 H new ATOM 0 HD21 ASN A 8 9.885 -25.081 -11.862 1.00 0.00 H new ATOM 0 HD22 ASN A 8 11.114 -23.861 -11.514 1.00 0.00 H new ATOM 176 N GLU A 9 10.010 -19.093 -10.137 1.00 0.00 N ATOM 177 CA GLU A 9 10.528 -17.934 -9.419 1.00 0.00 C ATOM 178 C GLU A 9 9.393 -17.011 -8.984 1.00 0.00 C ATOM 179 O GLU A 9 8.426 -16.809 -9.719 1.00 0.00 O ATOM 180 CB GLU A 9 11.518 -17.165 -10.296 1.00 0.00 C ATOM 181 CG GLU A 9 12.372 -16.173 -9.524 1.00 0.00 C ATOM 182 CD GLU A 9 11.653 -14.863 -9.263 1.00 0.00 C ATOM 183 OE1 GLU A 9 11.131 -14.271 -10.232 1.00 0.00 O ATOM 184 OE2 GLU A 9 11.611 -14.431 -8.093 1.00 0.00 O ATOM 0 H GLU A 9 10.544 -19.349 -10.968 1.00 0.00 H new ATOM 0 HA GLU A 9 11.044 -18.291 -8.528 1.00 0.00 H new ATOM 0 HB2 GLU A 9 12.170 -17.876 -10.802 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.966 -16.631 -11.070 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.668 -16.617 -8.573 1.00 0.00 H new ATOM 0 HG3 GLU A 9 13.287 -15.976 -10.082 1.00 0.00 H new ATOM 191 N VAL A 10 9.519 -16.453 -7.784 1.00 0.00 N ATOM 192 CA VAL A 10 8.505 -15.551 -7.251 1.00 0.00 C ATOM 193 C VAL A 10 8.099 -14.508 -8.285 1.00 0.00 C ATOM 194 O VAL A 10 8.926 -14.037 -9.066 1.00 0.00 O ATOM 195 CB VAL A 10 9.004 -14.834 -5.982 1.00 0.00 C ATOM 196 CG1 VAL A 10 7.951 -13.864 -5.468 1.00 0.00 C ATOM 197 CG2 VAL A 10 9.377 -15.847 -4.910 1.00 0.00 C ATOM 0 H VAL A 10 10.313 -16.610 -7.163 1.00 0.00 H new ATOM 0 HA VAL A 10 7.639 -16.162 -6.997 1.00 0.00 H new ATOM 0 HB VAL A 10 9.897 -14.262 -6.235 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.321 -13.367 -4.571 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.738 -13.119 -6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.038 -14.410 -5.229 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.727 -15.323 -4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.503 -16.447 -4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.168 -16.497 -5.283 1.00 0.00 H new ATOM 207 N LYS A 11 6.820 -14.149 -8.284 1.00 0.00 N ATOM 208 CA LYS A 11 6.302 -13.159 -9.221 1.00 0.00 C ATOM 209 C LYS A 11 5.944 -11.863 -8.500 1.00 0.00 C ATOM 210 O LYS A 11 5.114 -11.856 -7.590 1.00 0.00 O ATOM 211 CB LYS A 11 5.071 -13.708 -9.947 1.00 0.00 C ATOM 212 CG LYS A 11 4.481 -12.742 -10.960 1.00 0.00 C ATOM 213 CD LYS A 11 3.639 -13.467 -11.996 1.00 0.00 C ATOM 214 CE LYS A 11 3.006 -12.494 -12.979 1.00 0.00 C ATOM 215 NZ LYS A 11 3.989 -12.004 -13.985 1.00 0.00 N ATOM 0 H LYS A 11 6.122 -14.529 -7.644 1.00 0.00 H new ATOM 0 HA LYS A 11 7.082 -12.945 -9.952 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.342 -14.633 -10.455 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.308 -13.960 -9.211 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.868 -12.002 -10.445 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.285 -12.199 -11.458 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.261 -14.180 -12.537 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.858 -14.040 -11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.176 -12.982 -13.490 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.590 -11.646 -12.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.519 -11.343 -14.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.768 -11.516 -13.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.367 -12.810 -14.522 1.00 0.00 H new ATOM 229 N VAL A 12 6.573 -10.768 -8.914 1.00 0.00 N ATOM 230 CA VAL A 12 6.318 -9.465 -8.309 1.00 0.00 C ATOM 231 C VAL A 12 5.791 -8.474 -9.341 1.00 0.00 C ATOM 232 O VAL A 12 6.330 -8.362 -10.442 1.00 0.00 O ATOM 233 CB VAL A 12 7.592 -8.888 -7.663 1.00 0.00 C ATOM 234 CG1 VAL A 12 7.425 -7.401 -7.390 1.00 0.00 C ATOM 235 CG2 VAL A 12 7.927 -9.640 -6.384 1.00 0.00 C ATOM 0 H VAL A 12 7.263 -10.757 -9.665 1.00 0.00 H new ATOM 0 HA VAL A 12 5.564 -9.616 -7.537 1.00 0.00 H new ATOM 0 HB VAL A 12 8.422 -9.014 -8.359 1.00 0.00 H new ATOM 0 HG11 VAL A 12 8.335 -7.010 -6.934 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.236 -6.878 -8.327 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.585 -7.247 -6.713 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.830 -9.220 -5.941 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.100 -9.547 -5.680 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.092 -10.693 -6.613 1.00 0.00 H new ATOM 245 N VAL A 13 4.733 -7.756 -8.977 1.00 0.00 N ATOM 246 CA VAL A 13 4.133 -6.772 -9.870 1.00 0.00 C ATOM 247 C VAL A 13 4.209 -5.371 -9.274 1.00 0.00 C ATOM 248 O VAL A 13 3.849 -5.157 -8.116 1.00 0.00 O ATOM 249 CB VAL A 13 2.661 -7.112 -10.170 1.00 0.00 C ATOM 250 CG1 VAL A 13 2.159 -6.306 -11.359 1.00 0.00 C ATOM 251 CG2 VAL A 13 2.498 -8.603 -10.420 1.00 0.00 C ATOM 0 H VAL A 13 4.274 -7.837 -8.070 1.00 0.00 H new ATOM 0 HA VAL A 13 4.701 -6.799 -10.800 1.00 0.00 H new ATOM 0 HB VAL A 13 2.060 -6.846 -9.300 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.117 -6.559 -11.556 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.238 -5.242 -11.137 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.762 -6.539 -12.237 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.452 -8.824 -10.630 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.110 -8.898 -11.273 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.816 -9.157 -9.537 1.00 0.00 H new ATOM 261 N TYR A 14 4.678 -4.420 -10.073 1.00 0.00 N ATOM 262 CA TYR A 14 4.803 -3.038 -9.625 1.00 0.00 C ATOM 263 C TYR A 14 3.794 -2.141 -10.335 1.00 0.00 C ATOM 264 O TYR A 14 3.546 -2.292 -11.532 1.00 0.00 O ATOM 265 CB TYR A 14 6.223 -2.525 -9.875 1.00 0.00 C ATOM 266 CG TYR A 14 7.243 -3.067 -8.899 1.00 0.00 C ATOM 267 CD1 TYR A 14 7.902 -4.265 -9.147 1.00 0.00 C ATOM 268 CD2 TYR A 14 7.548 -2.382 -7.730 1.00 0.00 C ATOM 269 CE1 TYR A 14 8.834 -4.765 -8.259 1.00 0.00 C ATOM 270 CE2 TYR A 14 8.480 -2.873 -6.836 1.00 0.00 C ATOM 271 CZ TYR A 14 9.120 -4.065 -7.105 1.00 0.00 C ATOM 272 OH TYR A 14 10.048 -4.558 -6.217 1.00 0.00 O ATOM 0 H TYR A 14 4.978 -4.580 -11.035 1.00 0.00 H new ATOM 0 HA TYR A 14 4.596 -3.010 -8.555 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.524 -2.792 -10.888 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.222 -1.436 -9.820 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.681 -4.815 -10.050 1.00 0.00 H new ATOM 0 HD2 TYR A 14 7.048 -1.449 -7.516 1.00 0.00 H new ATOM 0 HE1 TYR A 14 9.336 -5.698 -8.467 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.706 -2.327 -5.932 1.00 0.00 H new ATOM 0 HH TYR A 14 10.132 -3.944 -5.458 1.00 0.00 H new ATOM 282 N LEU A 15 3.215 -1.207 -9.589 1.00 0.00 N ATOM 283 CA LEU A 15 2.232 -0.283 -10.145 1.00 0.00 C ATOM 284 C LEU A 15 2.536 1.152 -9.727 1.00 0.00 C ATOM 285 O LEU A 15 2.922 1.408 -8.587 1.00 0.00 O ATOM 286 CB LEU A 15 0.824 -0.672 -9.691 1.00 0.00 C ATOM 287 CG LEU A 15 0.209 -1.890 -10.380 1.00 0.00 C ATOM 288 CD1 LEU A 15 0.652 -3.172 -9.692 1.00 0.00 C ATOM 289 CD2 LEU A 15 -1.309 -1.787 -10.392 1.00 0.00 C ATOM 0 H LEU A 15 3.409 -1.069 -8.597 1.00 0.00 H new ATOM 0 HA LEU A 15 2.286 -0.344 -11.232 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.849 -0.861 -8.618 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.164 0.181 -9.849 1.00 0.00 H new ATOM 0 HG LEU A 15 0.559 -1.915 -11.412 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.205 -4.029 -10.196 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.738 -3.252 -9.736 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.331 -3.156 -8.650 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.729 -2.663 -10.886 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.678 -1.736 -9.368 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.608 -0.888 -10.930 1.00 0.00 H new ATOM 301 N ARG A 16 2.357 2.084 -10.658 1.00 0.00 N ATOM 302 CA ARG A 16 2.611 3.494 -10.385 1.00 0.00 C ATOM 303 C ARG A 16 1.314 4.226 -10.057 1.00 0.00 C ATOM 304 O ARG A 16 0.418 4.329 -10.896 1.00 0.00 O ATOM 305 CB ARG A 16 3.292 4.152 -11.587 1.00 0.00 C ATOM 306 CG ARG A 16 3.802 5.556 -11.304 1.00 0.00 C ATOM 307 CD ARG A 16 5.065 5.529 -10.456 1.00 0.00 C ATOM 308 NE ARG A 16 6.195 4.950 -11.177 1.00 0.00 N ATOM 309 CZ ARG A 16 6.961 5.638 -12.017 1.00 0.00 C ATOM 310 NH1 ARG A 16 6.720 6.923 -12.239 1.00 0.00 N ATOM 311 NH2 ARG A 16 7.972 5.042 -12.635 1.00 0.00 N ATOM 0 H ARG A 16 2.037 1.888 -11.607 1.00 0.00 H new ATOM 0 HA ARG A 16 3.272 3.559 -9.521 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.127 3.529 -11.907 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.587 4.191 -12.417 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.005 6.067 -12.245 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.030 6.128 -10.790 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.315 6.543 -10.145 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.880 4.954 -9.549 1.00 0.00 H new ATOM 0 HE ARG A 16 6.408 3.964 -11.028 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.945 7.386 -11.764 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.310 7.448 -12.884 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.162 4.054 -12.466 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.559 5.571 -13.280 1.00 0.00 H new ATOM 325 N CYS A 17 1.220 4.732 -8.833 1.00 0.00 N ATOM 326 CA CYS A 17 0.031 5.454 -8.393 1.00 0.00 C ATOM 327 C CYS A 17 0.351 6.354 -7.203 1.00 0.00 C ATOM 328 O CYS A 17 1.354 6.161 -6.516 1.00 0.00 O ATOM 329 CB CYS A 17 -1.079 4.471 -8.020 1.00 0.00 C ATOM 330 SG CYS A 17 -2.125 3.978 -9.410 1.00 0.00 S ATOM 0 H CYS A 17 1.952 4.656 -8.127 1.00 0.00 H new ATOM 0 HA CYS A 17 -0.310 6.080 -9.218 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.629 3.579 -7.584 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.705 4.921 -7.250 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.418 3.960 -10.500 1.00 0.00 H new ATOM 336 N THR A 18 -0.509 7.340 -6.966 1.00 0.00 N ATOM 337 CA THR A 18 -0.317 8.272 -5.862 1.00 0.00 C ATOM 338 C THR A 18 -0.649 7.617 -4.526 1.00 0.00 C ATOM 339 O THR A 18 -1.634 6.890 -4.407 1.00 0.00 O ATOM 340 CB THR A 18 -1.186 9.532 -6.032 1.00 0.00 C ATOM 341 OG1 THR A 18 -0.842 10.203 -7.249 1.00 0.00 O ATOM 342 CG2 THR A 18 -1.004 10.479 -4.856 1.00 0.00 C ATOM 0 H THR A 18 -1.345 7.513 -7.524 1.00 0.00 H new ATOM 0 HA THR A 18 0.734 8.561 -5.872 1.00 0.00 H new ATOM 0 HB THR A 18 -2.231 9.223 -6.070 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.400 11.002 -7.351 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.628 11.361 -4.999 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.295 9.975 -3.934 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.041 10.781 -4.790 1.00 0.00 H new ATOM 350 N GLY A 19 0.181 7.880 -3.520 1.00 0.00 N ATOM 351 CA GLY A 19 -0.042 7.308 -2.205 1.00 0.00 C ATOM 352 C GLY A 19 -1.329 7.798 -1.571 1.00 0.00 C ATOM 353 O GLY A 19 -1.705 8.958 -1.730 1.00 0.00 O ATOM 0 H GLY A 19 1.003 8.479 -3.593 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -0.071 6.221 -2.285 1.00 0.00 H new ATOM 0 HA3 GLY A 19 0.797 7.558 -1.556 1.00 0.00 H new ATOM 357 N GLY A 20 -2.007 6.910 -0.850 1.00 0.00 N ATOM 358 CA GLY A 20 -3.253 7.276 -0.202 1.00 0.00 C ATOM 359 C GLY A 20 -4.376 7.508 -1.194 1.00 0.00 C ATOM 360 O GLY A 20 -5.135 8.468 -1.067 1.00 0.00 O ATOM 0 H GLY A 20 -1.716 5.944 -0.703 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -3.543 6.488 0.493 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.101 8.180 0.388 1.00 0.00 H new ATOM 364 N GLU A 21 -4.480 6.627 -2.184 1.00 0.00 N ATOM 365 CA GLU A 21 -5.518 6.742 -3.202 1.00 0.00 C ATOM 366 C GLU A 21 -6.421 5.512 -3.200 1.00 0.00 C ATOM 367 O GLU A 21 -6.298 4.636 -4.056 1.00 0.00 O ATOM 368 CB GLU A 21 -4.889 6.924 -4.584 1.00 0.00 C ATOM 369 CG GLU A 21 -5.851 7.475 -5.623 1.00 0.00 C ATOM 370 CD GLU A 21 -6.464 8.798 -5.208 1.00 0.00 C ATOM 371 OE1 GLU A 21 -5.808 9.843 -5.401 1.00 0.00 O ATOM 372 OE2 GLU A 21 -7.600 8.788 -4.689 1.00 0.00 O ATOM 0 H GLU A 21 -3.859 5.827 -2.303 1.00 0.00 H new ATOM 0 HA GLU A 21 -6.125 7.617 -2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.035 7.596 -4.499 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -4.506 5.964 -4.929 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.324 7.604 -6.568 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -6.646 6.750 -5.798 1.00 0.00 H new ATOM 379 N VAL A 22 -7.329 5.454 -2.231 1.00 0.00 N ATOM 380 CA VAL A 22 -8.254 4.333 -2.116 1.00 0.00 C ATOM 381 C VAL A 22 -9.410 4.471 -3.101 1.00 0.00 C ATOM 382 O VAL A 22 -9.644 5.545 -3.653 1.00 0.00 O ATOM 383 CB VAL A 22 -8.822 4.217 -0.689 1.00 0.00 C ATOM 384 CG1 VAL A 22 -9.669 5.434 -0.351 1.00 0.00 C ATOM 385 CG2 VAL A 22 -9.630 2.937 -0.540 1.00 0.00 C ATOM 0 H VAL A 22 -7.444 6.170 -1.514 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.688 3.431 -2.348 1.00 0.00 H new ATOM 0 HB VAL A 22 -7.989 4.178 0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.062 5.334 0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.056 6.333 -0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -10.497 5.508 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -10.024 2.871 0.474 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.457 2.944 -1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.989 2.077 -0.737 1.00 0.00 H new ATOM 395 N GLY A 23 -10.130 3.374 -3.317 1.00 0.00 N ATOM 396 CA GLY A 23 -11.254 3.394 -4.236 1.00 0.00 C ATOM 397 C GLY A 23 -10.941 2.703 -5.549 1.00 0.00 C ATOM 398 O GLY A 23 -10.294 1.657 -5.568 1.00 0.00 O ATOM 0 H GLY A 23 -9.955 2.473 -2.873 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.111 2.908 -3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -11.541 4.427 -4.432 1.00 0.00 H new ATOM 402 N ALA A 24 -11.404 3.289 -6.648 1.00 0.00 N ATOM 403 CA ALA A 24 -11.170 2.724 -7.971 1.00 0.00 C ATOM 404 C ALA A 24 -11.564 1.251 -8.016 1.00 0.00 C ATOM 405 O ALA A 24 -10.806 0.408 -8.497 1.00 0.00 O ATOM 406 CB ALA A 24 -9.710 2.893 -8.367 1.00 0.00 C ATOM 0 H ALA A 24 -11.943 4.155 -6.648 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.794 3.263 -8.684 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.550 2.466 -9.357 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.458 3.953 -8.384 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -9.075 2.380 -7.644 1.00 0.00 H new ATOM 412 N THR A 25 -12.756 0.947 -7.511 1.00 0.00 N ATOM 413 CA THR A 25 -13.250 -0.424 -7.492 1.00 0.00 C ATOM 414 C THR A 25 -13.563 -0.915 -8.901 1.00 0.00 C ATOM 415 O THR A 25 -13.832 -2.098 -9.111 1.00 0.00 O ATOM 416 CB THR A 25 -14.515 -0.553 -6.623 1.00 0.00 C ATOM 417 OG1 THR A 25 -15.552 0.288 -7.139 1.00 0.00 O ATOM 418 CG2 THR A 25 -14.220 -0.176 -5.179 1.00 0.00 C ATOM 0 H THR A 25 -13.397 1.632 -7.110 1.00 0.00 H new ATOM 0 HA THR A 25 -12.459 -1.039 -7.063 1.00 0.00 H new ATOM 0 HB THR A 25 -14.844 -1.592 -6.651 1.00 0.00 H new ATOM 0 HG1 THR A 25 -16.353 0.199 -6.582 1.00 0.00 H new ATOM 0 HG21 THR A 25 -15.128 -0.275 -4.584 1.00 0.00 H new ATOM 0 HG22 THR A 25 -13.451 -0.838 -4.780 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.869 0.855 -5.137 1.00 0.00 H new ATOM 426 N SER A 26 -13.527 0.000 -9.864 1.00 0.00 N ATOM 427 CA SER A 26 -13.810 -0.340 -11.253 1.00 0.00 C ATOM 428 C SER A 26 -12.522 -0.426 -12.065 1.00 0.00 C ATOM 429 O SER A 26 -12.527 -0.864 -13.215 1.00 0.00 O ATOM 430 CB SER A 26 -14.749 0.698 -11.873 1.00 0.00 C ATOM 431 OG SER A 26 -15.527 0.126 -12.910 1.00 0.00 O ATOM 0 H SER A 26 -13.304 0.983 -9.708 1.00 0.00 H new ATOM 0 HA SER A 26 -14.295 -1.316 -11.271 1.00 0.00 H new ATOM 0 HB2 SER A 26 -15.405 1.105 -11.104 1.00 0.00 H new ATOM 0 HB3 SER A 26 -14.166 1.530 -12.268 1.00 0.00 H new ATOM 0 HG SER A 26 -16.120 0.808 -13.289 1.00 0.00 H new ATOM 437 N ALA A 27 -11.417 -0.004 -11.457 1.00 0.00 N ATOM 438 CA ALA A 27 -10.121 -0.034 -12.122 1.00 0.00 C ATOM 439 C ALA A 27 -9.237 -1.138 -11.550 1.00 0.00 C ATOM 440 O ALA A 27 -8.382 -1.687 -12.247 1.00 0.00 O ATOM 441 CB ALA A 27 -9.430 1.316 -11.995 1.00 0.00 C ATOM 0 H ALA A 27 -11.395 0.362 -10.505 1.00 0.00 H new ATOM 0 HA ALA A 27 -10.287 -0.246 -13.178 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.463 1.278 -12.497 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.048 2.086 -12.456 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.283 1.552 -10.941 1.00 0.00 H new ATOM 447 N LEU A 28 -9.447 -1.459 -10.278 1.00 0.00 N ATOM 448 CA LEU A 28 -8.669 -2.497 -9.612 1.00 0.00 C ATOM 449 C LEU A 28 -9.327 -3.863 -9.780 1.00 0.00 C ATOM 450 O LEU A 28 -8.649 -4.889 -9.817 1.00 0.00 O ATOM 451 CB LEU A 28 -8.515 -2.172 -8.126 1.00 0.00 C ATOM 452 CG LEU A 28 -7.462 -1.120 -7.774 1.00 0.00 C ATOM 453 CD1 LEU A 28 -7.605 -0.686 -6.324 1.00 0.00 C ATOM 454 CD2 LEU A 28 -6.063 -1.658 -8.037 1.00 0.00 C ATOM 0 H LEU A 28 -10.150 -1.015 -9.687 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.683 -2.530 -10.074 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.479 -1.833 -7.747 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.271 -3.093 -7.597 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.620 -0.248 -8.409 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.848 0.063 -6.092 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.596 -0.260 -6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.474 -1.549 -5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.326 -0.897 -7.781 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.894 -2.546 -7.427 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.965 -1.918 -9.091 1.00 0.00 H new ATOM 466 N ALA A 29 -10.652 -3.867 -9.884 1.00 0.00 N ATOM 467 CA ALA A 29 -11.402 -5.106 -10.052 1.00 0.00 C ATOM 468 C ALA A 29 -10.694 -6.048 -11.020 1.00 0.00 C ATOM 469 O ALA A 29 -10.366 -7.187 -10.687 1.00 0.00 O ATOM 470 CB ALA A 29 -12.812 -4.807 -10.539 1.00 0.00 C ATOM 0 H ALA A 29 -11.228 -3.026 -9.855 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.462 -5.601 -9.083 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -13.361 -5.741 -10.660 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -13.323 -4.178 -9.810 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.764 -4.288 -11.496 1.00 0.00 H new ATOM 476 N PRO A 30 -10.452 -5.565 -12.247 1.00 0.00 N ATOM 477 CA PRO A 30 -9.781 -6.349 -13.289 1.00 0.00 C ATOM 478 C PRO A 30 -8.305 -6.577 -12.981 1.00 0.00 C ATOM 479 O PRO A 30 -7.703 -7.540 -13.457 1.00 0.00 O ATOM 480 CB PRO A 30 -9.939 -5.483 -14.541 1.00 0.00 C ATOM 481 CG PRO A 30 -10.090 -4.094 -14.025 1.00 0.00 C ATOM 482 CD PRO A 30 -10.815 -4.216 -12.714 1.00 0.00 C ATOM 0 HA PRO A 30 -10.208 -7.347 -13.388 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.071 -5.570 -15.195 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.809 -5.785 -15.124 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -9.118 -3.620 -13.891 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -10.652 -3.476 -14.726 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -10.500 -3.448 -12.008 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -11.893 -4.111 -12.840 1.00 0.00 H new ATOM 490 N LYS A 31 -7.727 -5.686 -12.183 1.00 0.00 N ATOM 491 CA LYS A 31 -6.321 -5.791 -11.810 1.00 0.00 C ATOM 492 C LYS A 31 -6.083 -7.010 -10.924 1.00 0.00 C ATOM 493 O LYS A 31 -4.948 -7.461 -10.766 1.00 0.00 O ATOM 494 CB LYS A 31 -5.870 -4.523 -11.082 1.00 0.00 C ATOM 495 CG LYS A 31 -5.551 -3.367 -12.015 1.00 0.00 C ATOM 496 CD LYS A 31 -4.081 -3.351 -12.400 1.00 0.00 C ATOM 497 CE LYS A 31 -3.732 -4.513 -13.317 1.00 0.00 C ATOM 498 NZ LYS A 31 -3.291 -5.711 -12.551 1.00 0.00 N ATOM 0 H LYS A 31 -8.211 -4.883 -11.782 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.736 -5.907 -12.722 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.652 -4.214 -10.389 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -4.987 -4.751 -10.485 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.163 -3.444 -12.914 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -5.812 -2.425 -11.532 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.844 -2.410 -12.897 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.468 -3.399 -11.500 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.600 -4.770 -13.924 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.941 -4.209 -14.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.299 -5.924 -12.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.379 -5.523 -11.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.887 -6.524 -12.805 1.00 0.00 H new ATOM 512 N ILE A 32 -7.159 -7.539 -10.352 1.00 0.00 N ATOM 513 CA ILE A 32 -7.065 -8.707 -9.485 1.00 0.00 C ATOM 514 C ILE A 32 -7.003 -9.994 -10.301 1.00 0.00 C ATOM 515 O ILE A 32 -7.177 -11.089 -9.768 1.00 0.00 O ATOM 516 CB ILE A 32 -8.259 -8.785 -8.515 1.00 0.00 C ATOM 517 CG1 ILE A 32 -8.447 -7.448 -7.795 1.00 0.00 C ATOM 518 CG2 ILE A 32 -8.053 -9.909 -7.510 1.00 0.00 C ATOM 519 CD1 ILE A 32 -9.726 -7.370 -6.990 1.00 0.00 C ATOM 0 H ILE A 32 -8.105 -7.178 -10.473 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.146 -8.600 -8.910 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.161 -8.998 -9.089 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.599 -7.279 -7.132 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -8.441 -6.644 -8.531 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.905 -9.951 -6.832 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.963 -10.858 -8.039 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.143 -9.724 -6.939 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -9.793 -6.395 -6.507 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -10.581 -7.507 -7.652 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.726 -8.152 -6.231 1.00 0.00 H new ATOM 531 N GLY A 33 -6.753 -9.853 -11.599 1.00 0.00 N ATOM 532 CA GLY A 33 -6.670 -11.013 -12.468 1.00 0.00 C ATOM 533 C GLY A 33 -5.727 -12.072 -11.934 1.00 0.00 C ATOM 534 O GLY A 33 -6.134 -13.186 -11.603 1.00 0.00 O ATOM 0 H GLY A 33 -6.607 -8.957 -12.064 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.664 -11.444 -12.589 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.336 -10.699 -13.457 1.00 0.00 H new ATOM 538 N PRO A 34 -4.433 -11.728 -11.846 1.00 0.00 N ATOM 539 CA PRO A 34 -3.403 -12.645 -11.350 1.00 0.00 C ATOM 540 C PRO A 34 -3.535 -12.911 -9.854 1.00 0.00 C ATOM 541 O PRO A 34 -3.203 -13.996 -9.375 1.00 0.00 O ATOM 542 CB PRO A 34 -2.096 -11.904 -11.647 1.00 0.00 C ATOM 543 CG PRO A 34 -2.476 -10.464 -11.680 1.00 0.00 C ATOM 544 CD PRO A 34 -3.878 -10.418 -12.223 1.00 0.00 C ATOM 0 HA PRO A 34 -3.470 -13.626 -11.820 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.347 -12.098 -10.879 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.668 -12.222 -12.597 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.429 -10.025 -10.683 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -1.794 -9.895 -12.312 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.451 -9.599 -11.788 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.886 -10.274 -13.303 1.00 0.00 H new ATOM 552 N LEU A 35 -4.022 -11.916 -9.122 1.00 0.00 N ATOM 553 CA LEU A 35 -4.199 -12.043 -7.679 1.00 0.00 C ATOM 554 C LEU A 35 -5.378 -12.954 -7.353 1.00 0.00 C ATOM 555 O LEU A 35 -5.202 -14.042 -6.806 1.00 0.00 O ATOM 556 CB LEU A 35 -4.414 -10.666 -7.049 1.00 0.00 C ATOM 557 CG LEU A 35 -3.155 -9.832 -6.810 1.00 0.00 C ATOM 558 CD1 LEU A 35 -2.709 -9.158 -8.099 1.00 0.00 C ATOM 559 CD2 LEU A 35 -3.398 -8.797 -5.721 1.00 0.00 C ATOM 0 H LEU A 35 -4.302 -11.012 -9.503 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.295 -12.488 -7.264 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.086 -10.096 -7.691 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.923 -10.801 -6.094 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.359 -10.498 -6.478 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.812 -8.569 -7.910 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.493 -9.917 -8.851 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.503 -8.504 -8.461 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.491 -8.213 -5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.209 -8.134 -6.023 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.669 -9.301 -4.793 1.00 0.00 H new ATOM 571 N GLY A 36 -6.581 -12.502 -7.696 1.00 0.00 N ATOM 572 CA GLY A 36 -7.771 -13.290 -7.434 1.00 0.00 C ATOM 573 C GLY A 36 -8.074 -13.408 -5.953 1.00 0.00 C ATOM 574 O GLY A 36 -8.143 -14.512 -5.412 1.00 0.00 O ATOM 0 H GLY A 36 -6.752 -11.605 -8.150 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.623 -12.836 -7.941 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -7.643 -14.287 -7.856 1.00 0.00 H new ATOM 578 N LEU A 37 -8.255 -12.268 -5.296 1.00 0.00 N ATOM 579 CA LEU A 37 -8.551 -12.248 -3.867 1.00 0.00 C ATOM 580 C LEU A 37 -9.722 -11.318 -3.567 1.00 0.00 C ATOM 581 O LEU A 37 -10.840 -11.772 -3.323 1.00 0.00 O ATOM 582 CB LEU A 37 -7.318 -11.805 -3.077 1.00 0.00 C ATOM 583 CG LEU A 37 -6.368 -12.919 -2.634 1.00 0.00 C ATOM 584 CD1 LEU A 37 -5.465 -13.339 -3.784 1.00 0.00 C ATOM 585 CD2 LEU A 37 -5.540 -12.470 -1.440 1.00 0.00 C ATOM 0 H LEU A 37 -8.202 -11.346 -5.729 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.826 -13.258 -3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.756 -11.097 -3.686 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.653 -11.267 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.964 -13.781 -2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.796 -14.132 -3.450 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.075 -13.702 -4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.876 -12.484 -4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.870 -13.275 -1.138 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.953 -11.593 -1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.202 -12.220 -0.611 1.00 0.00 H new ATOM 597 N SER A 38 -9.458 -10.016 -3.588 1.00 0.00 N ATOM 598 CA SER A 38 -10.490 -9.022 -3.317 1.00 0.00 C ATOM 599 C SER A 38 -9.946 -7.609 -3.503 1.00 0.00 C ATOM 600 O SER A 38 -8.838 -7.281 -3.076 1.00 0.00 O ATOM 601 CB SER A 38 -11.028 -9.190 -1.895 1.00 0.00 C ATOM 602 OG SER A 38 -12.132 -10.078 -1.869 1.00 0.00 O ATOM 0 H SER A 38 -8.538 -9.624 -3.790 1.00 0.00 H new ATOM 0 HA SER A 38 -11.303 -9.176 -4.027 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.238 -9.568 -1.246 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.328 -8.220 -1.499 1.00 0.00 H new ATOM 0 HG SER A 38 -11.905 -10.896 -2.359 1.00 0.00 H new ATOM 608 N PRO A 39 -10.743 -6.750 -4.156 1.00 0.00 N ATOM 609 CA PRO A 39 -10.363 -5.358 -4.414 1.00 0.00 C ATOM 610 C PRO A 39 -10.338 -4.519 -3.141 1.00 0.00 C ATOM 611 O PRO A 39 -9.450 -3.687 -2.950 1.00 0.00 O ATOM 612 CB PRO A 39 -11.459 -4.861 -5.360 1.00 0.00 C ATOM 613 CG PRO A 39 -12.635 -5.727 -5.066 1.00 0.00 C ATOM 614 CD PRO A 39 -12.075 -7.072 -4.693 1.00 0.00 C ATOM 0 HA PRO A 39 -9.357 -5.280 -4.826 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -11.687 -3.810 -5.184 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.153 -4.950 -6.402 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -13.231 -5.313 -4.253 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -13.290 -5.804 -5.934 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.696 -7.574 -3.952 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -12.011 -7.734 -5.557 1.00 0.00 H new ATOM 622 N LYS A 40 -11.317 -4.742 -2.271 1.00 0.00 N ATOM 623 CA LYS A 40 -11.407 -4.008 -1.015 1.00 0.00 C ATOM 624 C LYS A 40 -10.292 -4.423 -0.061 1.00 0.00 C ATOM 625 O LYS A 40 -9.654 -3.580 0.570 1.00 0.00 O ATOM 626 CB LYS A 40 -12.769 -4.245 -0.358 1.00 0.00 C ATOM 627 CG LYS A 40 -12.962 -5.665 0.146 1.00 0.00 C ATOM 628 CD LYS A 40 -14.435 -6.014 0.279 1.00 0.00 C ATOM 629 CE LYS A 40 -14.667 -7.512 0.152 1.00 0.00 C ATOM 630 NZ LYS A 40 -16.112 -7.839 0.006 1.00 0.00 N ATOM 0 H LYS A 40 -12.060 -5.426 -2.413 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.296 -2.946 -1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.886 -3.553 0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -13.555 -4.013 -1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.482 -6.364 -0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.471 -5.779 1.113 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -14.806 -5.668 1.244 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.005 -5.490 -0.489 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -14.120 -7.892 -0.710 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -14.267 -8.017 1.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -16.228 -8.869 -0.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -16.631 -7.499 0.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -16.488 -7.378 -0.847 1.00 0.00 H new ATOM 644 N LYS A 41 -10.061 -5.728 0.039 1.00 0.00 N ATOM 645 CA LYS A 41 -9.021 -6.256 0.914 1.00 0.00 C ATOM 646 C LYS A 41 -7.641 -5.785 0.465 1.00 0.00 C ATOM 647 O LYS A 41 -6.834 -5.333 1.277 1.00 0.00 O ATOM 648 CB LYS A 41 -9.068 -7.786 0.931 1.00 0.00 C ATOM 649 CG LYS A 41 -9.971 -8.355 2.012 1.00 0.00 C ATOM 650 CD LYS A 41 -11.393 -8.540 1.511 1.00 0.00 C ATOM 651 CE LYS A 41 -12.120 -9.629 2.285 1.00 0.00 C ATOM 652 NZ LYS A 41 -13.191 -10.267 1.471 1.00 0.00 N ATOM 0 H LYS A 41 -10.580 -6.439 -0.475 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.204 -5.881 1.921 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.410 -8.141 -0.041 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.058 -8.171 1.073 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.576 -9.313 2.350 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.972 -7.688 2.874 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -11.938 -7.601 1.604 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.376 -8.795 0.451 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.405 -10.388 2.603 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.556 -9.203 3.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.107 -10.150 1.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -13.230 -9.817 0.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.985 -11.280 1.360 1.00 0.00 H new ATOM 666 N VAL A 42 -7.377 -5.893 -0.833 1.00 0.00 N ATOM 667 CA VAL A 42 -6.097 -5.475 -1.390 1.00 0.00 C ATOM 668 C VAL A 42 -5.941 -3.960 -1.334 1.00 0.00 C ATOM 669 O VAL A 42 -4.880 -3.446 -0.982 1.00 0.00 O ATOM 670 CB VAL A 42 -5.940 -5.943 -2.849 1.00 0.00 C ATOM 671 CG1 VAL A 42 -4.624 -5.448 -3.431 1.00 0.00 C ATOM 672 CG2 VAL A 42 -6.033 -7.459 -2.935 1.00 0.00 C ATOM 0 H VAL A 42 -8.033 -6.267 -1.519 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.321 -5.939 -0.782 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.753 -5.518 -3.438 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.531 -5.789 -4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.602 -4.359 -3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.795 -5.842 -2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -5.920 -7.772 -3.973 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.243 -7.907 -2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -7.003 -7.786 -2.561 1.00 0.00 H new ATOM 682 N GLY A 43 -7.008 -3.247 -1.685 1.00 0.00 N ATOM 683 CA GLY A 43 -6.969 -1.797 -1.668 1.00 0.00 C ATOM 684 C GLY A 43 -6.761 -1.239 -0.274 1.00 0.00 C ATOM 685 O GLY A 43 -5.958 -0.327 -0.076 1.00 0.00 O ATOM 0 H GLY A 43 -7.898 -3.648 -1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.166 -1.451 -2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.901 -1.407 -2.077 1.00 0.00 H new ATOM 689 N ASP A 44 -7.487 -1.786 0.695 1.00 0.00 N ATOM 690 CA ASP A 44 -7.378 -1.337 2.078 1.00 0.00 C ATOM 691 C ASP A 44 -5.964 -1.549 2.609 1.00 0.00 C ATOM 692 O ASP A 44 -5.467 -0.760 3.413 1.00 0.00 O ATOM 693 CB ASP A 44 -8.384 -2.081 2.959 1.00 0.00 C ATOM 694 CG ASP A 44 -9.748 -1.420 2.965 1.00 0.00 C ATOM 695 OD1 ASP A 44 -9.816 -0.195 2.729 1.00 0.00 O ATOM 696 OD2 ASP A 44 -10.749 -2.128 3.203 1.00 0.00 O ATOM 0 H ASP A 44 -8.157 -2.541 0.548 1.00 0.00 H new ATOM 0 HA ASP A 44 -7.601 -0.270 2.106 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.482 -3.107 2.606 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.003 -2.130 3.979 1.00 0.00 H new ATOM 701 N ASP A 45 -5.322 -2.619 2.156 1.00 0.00 N ATOM 702 CA ASP A 45 -3.964 -2.936 2.585 1.00 0.00 C ATOM 703 C ASP A 45 -2.977 -1.886 2.084 1.00 0.00 C ATOM 704 O ASP A 45 -2.082 -1.463 2.815 1.00 0.00 O ATOM 705 CB ASP A 45 -3.556 -4.320 2.078 1.00 0.00 C ATOM 706 CG ASP A 45 -3.907 -5.422 3.059 1.00 0.00 C ATOM 707 OD1 ASP A 45 -3.128 -5.640 4.010 1.00 0.00 O ATOM 708 OD2 ASP A 45 -4.961 -6.066 2.874 1.00 0.00 O ATOM 0 H ASP A 45 -5.720 -3.283 1.491 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.945 -2.937 3.675 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.049 -4.515 1.125 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.482 -4.333 1.890 1.00 0.00 H new ATOM 713 N ILE A 46 -3.147 -1.471 0.833 1.00 0.00 N ATOM 714 CA ILE A 46 -2.272 -0.471 0.235 1.00 0.00 C ATOM 715 C ILE A 46 -2.442 0.885 0.913 1.00 0.00 C ATOM 716 O ILE A 46 -1.462 1.542 1.263 1.00 0.00 O ATOM 717 CB ILE A 46 -2.542 -0.315 -1.273 1.00 0.00 C ATOM 718 CG1 ILE A 46 -2.296 -1.640 -1.997 1.00 0.00 C ATOM 719 CG2 ILE A 46 -1.668 0.784 -1.858 1.00 0.00 C ATOM 720 CD1 ILE A 46 -2.852 -1.673 -3.403 1.00 0.00 C ATOM 0 H ILE A 46 -3.883 -1.812 0.214 1.00 0.00 H new ATOM 0 HA ILE A 46 -1.250 -0.821 0.378 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.586 -0.034 -1.412 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.223 -1.830 -2.035 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.743 -2.449 -1.419 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.871 0.881 -2.924 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -1.888 1.728 -1.359 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.618 0.531 -1.710 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.641 -2.642 -3.855 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.930 -1.514 -3.372 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.387 -0.886 -3.997 1.00 0.00 H new ATOM 732 N ALA A 47 -3.692 1.296 1.096 1.00 0.00 N ATOM 733 CA ALA A 47 -3.991 2.571 1.736 1.00 0.00 C ATOM 734 C ALA A 47 -3.394 2.635 3.138 1.00 0.00 C ATOM 735 O ALA A 47 -2.839 3.657 3.542 1.00 0.00 O ATOM 736 CB ALA A 47 -5.495 2.795 1.789 1.00 0.00 C ATOM 0 H ALA A 47 -4.514 0.764 0.810 1.00 0.00 H new ATOM 0 HA ALA A 47 -3.538 3.364 1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.704 3.751 2.269 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.898 2.802 0.776 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.963 1.992 2.359 1.00 0.00 H new ATOM 742 N LYS A 48 -3.513 1.537 3.877 1.00 0.00 N ATOM 743 CA LYS A 48 -2.985 1.467 5.234 1.00 0.00 C ATOM 744 C LYS A 48 -1.471 1.651 5.239 1.00 0.00 C ATOM 745 O LYS A 48 -0.912 2.246 6.160 1.00 0.00 O ATOM 746 CB LYS A 48 -3.349 0.127 5.877 1.00 0.00 C ATOM 747 CG LYS A 48 -3.260 0.135 7.393 1.00 0.00 C ATOM 748 CD LYS A 48 -2.951 -1.249 7.940 1.00 0.00 C ATOM 749 CE LYS A 48 -3.066 -1.287 9.456 1.00 0.00 C ATOM 750 NZ LYS A 48 -1.774 -0.958 10.119 1.00 0.00 N ATOM 0 H LYS A 48 -3.971 0.683 3.558 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.433 2.274 5.813 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.363 -0.144 5.583 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.686 -0.645 5.487 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.486 0.834 7.709 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.201 0.491 7.812 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.637 -1.975 7.504 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.944 -1.543 7.643 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.830 -0.581 9.780 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.394 -2.278 9.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.894 -0.995 11.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.050 -1.647 9.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.474 -0.002 9.839 1.00 0.00 H new ATOM 764 N ALA A 49 -0.814 1.138 4.205 1.00 0.00 N ATOM 765 CA ALA A 49 0.635 1.249 4.089 1.00 0.00 C ATOM 766 C ALA A 49 1.053 2.683 3.780 1.00 0.00 C ATOM 767 O ALA A 49 2.161 3.104 4.115 1.00 0.00 O ATOM 768 CB ALA A 49 1.153 0.303 3.015 1.00 0.00 C ATOM 0 H ALA A 49 -1.262 0.641 3.435 1.00 0.00 H new ATOM 0 HA ALA A 49 1.074 0.969 5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.236 0.397 2.939 1.00 0.00 H new ATOM 0 HB2 ALA A 49 0.895 -0.723 3.278 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.699 0.557 2.057 1.00 0.00 H new ATOM 774 N THR A 50 0.160 3.429 3.138 1.00 0.00 N ATOM 775 CA THR A 50 0.437 4.815 2.782 1.00 0.00 C ATOM 776 C THR A 50 -0.185 5.776 3.788 1.00 0.00 C ATOM 777 O THR A 50 -0.450 6.935 3.473 1.00 0.00 O ATOM 778 CB THR A 50 -0.093 5.150 1.375 1.00 0.00 C ATOM 779 OG1 THR A 50 -1.521 5.052 1.352 1.00 0.00 O ATOM 780 CG2 THR A 50 0.501 4.212 0.335 1.00 0.00 C ATOM 0 H THR A 50 -0.761 3.097 2.854 1.00 0.00 H new ATOM 0 HA THR A 50 1.521 4.933 2.792 1.00 0.00 H new ATOM 0 HB THR A 50 0.204 6.170 1.133 1.00 0.00 H new ATOM 0 HG1 THR A 50 -1.831 4.602 2.166 1.00 0.00 H new ATOM 0 HG21 THR A 50 0.112 4.468 -0.650 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.586 4.311 0.333 1.00 0.00 H new ATOM 0 HG23 THR A 50 0.231 3.184 0.576 1.00 0.00 H new ATOM 788 N GLY A 51 -0.416 5.286 5.003 1.00 0.00 N ATOM 789 CA GLY A 51 -1.005 6.116 6.038 1.00 0.00 C ATOM 790 C GLY A 51 -0.111 7.276 6.430 1.00 0.00 C ATOM 791 O GLY A 51 -0.579 8.403 6.588 1.00 0.00 O ATOM 0 H GLY A 51 -0.206 4.330 5.289 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.963 6.501 5.689 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.209 5.505 6.917 1.00 0.00 H new ATOM 795 N ASP A 52 1.179 6.999 6.589 1.00 0.00 N ATOM 796 CA ASP A 52 2.141 8.028 6.966 1.00 0.00 C ATOM 797 C ASP A 52 2.377 8.999 5.813 1.00 0.00 C ATOM 798 O ASP A 52 2.704 10.166 6.029 1.00 0.00 O ATOM 799 CB ASP A 52 3.464 7.388 7.390 1.00 0.00 C ATOM 800 CG ASP A 52 4.506 8.418 7.780 1.00 0.00 C ATOM 801 OD1 ASP A 52 4.801 9.305 6.954 1.00 0.00 O ATOM 802 OD2 ASP A 52 5.026 8.335 8.913 1.00 0.00 O ATOM 0 H ASP A 52 1.582 6.071 6.463 1.00 0.00 H new ATOM 0 HA ASP A 52 1.730 8.585 7.808 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.287 6.718 8.231 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.848 6.778 6.572 1.00 0.00 H new ATOM 807 N TRP A 53 2.211 8.509 4.590 1.00 0.00 N ATOM 808 CA TRP A 53 2.408 9.334 3.403 1.00 0.00 C ATOM 809 C TRP A 53 1.195 9.260 2.482 1.00 0.00 C ATOM 810 O TRP A 53 1.319 8.938 1.300 1.00 0.00 O ATOM 811 CB TRP A 53 3.663 8.890 2.651 1.00 0.00 C ATOM 812 CG TRP A 53 3.784 7.401 2.524 1.00 0.00 C ATOM 813 CD1 TRP A 53 3.187 6.607 1.587 1.00 0.00 C ATOM 814 CD2 TRP A 53 4.548 6.529 3.363 1.00 0.00 C ATOM 815 NE1 TRP A 53 3.534 5.294 1.793 1.00 0.00 N ATOM 816 CE2 TRP A 53 4.369 5.219 2.877 1.00 0.00 C ATOM 817 CE3 TRP A 53 5.368 6.727 4.478 1.00 0.00 C ATOM 818 CZ2 TRP A 53 4.979 4.116 3.467 1.00 0.00 C ATOM 819 CZ3 TRP A 53 5.973 5.630 5.063 1.00 0.00 C ATOM 820 CH2 TRP A 53 5.776 4.339 4.557 1.00 0.00 C ATOM 0 H TRP A 53 1.941 7.545 4.394 1.00 0.00 H new ATOM 0 HA TRP A 53 2.533 10.368 3.726 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.657 9.333 1.655 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.542 9.276 3.166 1.00 0.00 H new ATOM 0 HD1 TRP A 53 2.537 6.960 0.800 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.221 4.503 1.230 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.526 7.719 4.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 4.829 3.120 3.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 6.608 5.771 5.925 1.00 0.00 H new ATOM 0 HH2 TRP A 53 6.263 3.503 5.037 1.00 0.00 H new ATOM 831 N LYS A 54 0.022 9.561 3.030 1.00 0.00 N ATOM 832 CA LYS A 54 -1.214 9.530 2.257 1.00 0.00 C ATOM 833 C LYS A 54 -1.388 10.818 1.458 1.00 0.00 C ATOM 834 O LYS A 54 -1.893 11.815 1.972 1.00 0.00 O ATOM 835 CB LYS A 54 -2.414 9.327 3.184 1.00 0.00 C ATOM 836 CG LYS A 54 -3.754 9.504 2.492 1.00 0.00 C ATOM 837 CD LYS A 54 -4.814 10.018 3.452 1.00 0.00 C ATOM 838 CE LYS A 54 -5.849 10.872 2.734 1.00 0.00 C ATOM 839 NZ LYS A 54 -6.990 10.056 2.233 1.00 0.00 N ATOM 0 H LYS A 54 -0.098 9.829 4.007 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.156 8.695 1.559 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.366 8.326 3.613 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.346 10.033 4.012 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.646 10.201 1.661 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.075 8.552 2.070 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.308 9.175 3.935 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.340 10.604 4.239 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.221 11.639 3.413 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.377 11.388 1.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.673 10.674 1.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.638 9.340 1.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.456 9.583 3.033 1.00 0.00 H new ATOM 853 N GLY A 55 -0.967 10.788 0.197 1.00 0.00 N ATOM 854 CA GLY A 55 -1.086 11.959 -0.653 1.00 0.00 C ATOM 855 C GLY A 55 0.113 12.140 -1.562 1.00 0.00 C ATOM 856 O GLY A 55 0.008 12.754 -2.625 1.00 0.00 O ATOM 0 H GLY A 55 -0.546 9.974 -0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.988 11.874 -1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.203 12.846 -0.030 1.00 0.00 H new ATOM 860 N LEU A 56 1.255 11.606 -1.145 1.00 0.00 N ATOM 861 CA LEU A 56 2.481 11.713 -1.929 1.00 0.00 C ATOM 862 C LEU A 56 2.621 10.531 -2.884 1.00 0.00 C ATOM 863 O LEU A 56 2.093 9.449 -2.630 1.00 0.00 O ATOM 864 CB LEU A 56 3.697 11.783 -1.004 1.00 0.00 C ATOM 865 CG LEU A 56 3.635 12.830 0.108 1.00 0.00 C ATOM 866 CD1 LEU A 56 4.443 12.377 1.314 1.00 0.00 C ATOM 867 CD2 LEU A 56 4.136 14.175 -0.397 1.00 0.00 C ATOM 0 H LEU A 56 1.358 11.094 -0.269 1.00 0.00 H new ATOM 0 HA LEU A 56 2.428 12.628 -2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.837 10.804 -0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.580 11.980 -1.612 1.00 0.00 H new ATOM 0 HG LEU A 56 2.595 12.944 0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.387 13.135 2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.039 11.437 1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.483 12.233 1.022 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.085 14.908 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.168 14.076 -0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.514 14.506 -1.229 1.00 0.00 H new ATOM 879 N ARG A 57 3.338 10.747 -3.982 1.00 0.00 N ATOM 880 CA ARG A 57 3.549 9.700 -4.974 1.00 0.00 C ATOM 881 C ARG A 57 4.685 8.772 -4.553 1.00 0.00 C ATOM 882 O ARG A 57 5.783 9.227 -4.231 1.00 0.00 O ATOM 883 CB ARG A 57 3.859 10.316 -6.340 1.00 0.00 C ATOM 884 CG ARG A 57 3.399 9.464 -7.511 1.00 0.00 C ATOM 885 CD ARG A 57 4.231 9.732 -8.756 1.00 0.00 C ATOM 886 NE ARG A 57 3.636 9.138 -9.950 1.00 0.00 N ATOM 887 CZ ARG A 57 4.094 9.345 -11.180 1.00 0.00 C ATOM 888 NH1 ARG A 57 5.146 10.127 -11.376 1.00 0.00 N ATOM 889 NH2 ARG A 57 3.498 8.770 -12.216 1.00 0.00 N ATOM 0 H ARG A 57 3.782 11.637 -4.207 1.00 0.00 H new ATOM 0 HA ARG A 57 2.633 9.114 -5.047 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.383 11.294 -6.404 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.934 10.479 -6.420 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.470 8.409 -7.245 1.00 0.00 H new ATOM 0 HG3 ARG A 57 2.350 9.670 -7.722 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.333 10.808 -8.899 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.235 9.332 -8.614 1.00 0.00 H new ATOM 0 HE ARG A 57 2.825 8.531 -9.833 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.606 10.572 -10.582 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.496 10.284 -12.321 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.688 8.168 -12.069 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.850 8.929 -13.160 1.00 0.00 H new ATOM 903 N ILE A 58 4.413 7.472 -4.558 1.00 0.00 N ATOM 904 CA ILE A 58 5.412 6.481 -4.177 1.00 0.00 C ATOM 905 C ILE A 58 5.189 5.164 -4.912 1.00 0.00 C ATOM 906 O ILE A 58 4.090 4.886 -5.393 1.00 0.00 O ATOM 907 CB ILE A 58 5.394 6.218 -2.659 1.00 0.00 C ATOM 908 CG1 ILE A 58 3.955 6.053 -2.166 1.00 0.00 C ATOM 909 CG2 ILE A 58 6.088 7.351 -1.917 1.00 0.00 C ATOM 910 CD1 ILE A 58 3.406 4.657 -2.362 1.00 0.00 C ATOM 0 H ILE A 58 3.509 7.080 -4.822 1.00 0.00 H new ATOM 0 HA ILE A 58 6.383 6.890 -4.456 1.00 0.00 H new ATOM 0 HB ILE A 58 5.935 5.294 -2.458 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.911 6.307 -1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.316 6.763 -2.691 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.067 7.151 -0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.122 7.426 -2.252 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.572 8.289 -2.121 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.382 4.613 -1.990 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.418 4.407 -3.423 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.022 3.944 -1.814 1.00 0.00 H new ATOM 922 N THR A 59 6.240 4.354 -4.996 1.00 0.00 N ATOM 923 CA THR A 59 6.160 3.065 -5.672 1.00 0.00 C ATOM 924 C THR A 59 5.821 1.949 -4.690 1.00 0.00 C ATOM 925 O THR A 59 6.421 1.847 -3.620 1.00 0.00 O ATOM 926 CB THR A 59 7.481 2.722 -6.386 1.00 0.00 C ATOM 927 OG1 THR A 59 7.752 3.690 -7.406 1.00 0.00 O ATOM 928 CG2 THR A 59 7.418 1.333 -7.002 1.00 0.00 C ATOM 0 H THR A 59 7.157 4.568 -4.604 1.00 0.00 H new ATOM 0 HA THR A 59 5.365 3.146 -6.414 1.00 0.00 H new ATOM 0 HB THR A 59 8.283 2.739 -5.648 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.594 3.466 -7.854 1.00 0.00 H new ATOM 0 HG21 THR A 59 8.362 1.113 -7.501 1.00 0.00 H new ATOM 0 HG22 THR A 59 7.241 0.596 -6.219 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.606 1.294 -7.728 1.00 0.00 H new ATOM 936 N VAL A 60 4.857 1.113 -5.061 1.00 0.00 N ATOM 937 CA VAL A 60 4.440 0.003 -4.213 1.00 0.00 C ATOM 938 C VAL A 60 4.818 -1.336 -4.836 1.00 0.00 C ATOM 939 O VAL A 60 4.672 -1.537 -6.041 1.00 0.00 O ATOM 940 CB VAL A 60 2.920 0.028 -3.962 1.00 0.00 C ATOM 941 CG1 VAL A 60 2.503 -1.146 -3.090 1.00 0.00 C ATOM 942 CG2 VAL A 60 2.508 1.348 -3.326 1.00 0.00 C ATOM 0 H VAL A 60 4.350 1.183 -5.943 1.00 0.00 H new ATOM 0 HA VAL A 60 4.960 0.119 -3.262 1.00 0.00 H new ATOM 0 HB VAL A 60 2.409 -0.063 -4.920 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.426 -1.111 -2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.763 -2.080 -3.588 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.020 -1.089 -2.132 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.431 1.349 -3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.026 1.471 -2.375 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.771 2.170 -3.992 1.00 0.00 H new ATOM 952 N LYS A 61 5.306 -2.252 -4.005 1.00 0.00 N ATOM 953 CA LYS A 61 5.705 -3.574 -4.472 1.00 0.00 C ATOM 954 C LYS A 61 4.680 -4.628 -4.063 1.00 0.00 C ATOM 955 O LYS A 61 4.351 -4.763 -2.884 1.00 0.00 O ATOM 956 CB LYS A 61 7.081 -3.942 -3.913 1.00 0.00 C ATOM 957 CG LYS A 61 7.475 -5.386 -4.167 1.00 0.00 C ATOM 958 CD LYS A 61 8.621 -5.818 -3.267 1.00 0.00 C ATOM 959 CE LYS A 61 9.237 -7.126 -3.739 1.00 0.00 C ATOM 960 NZ LYS A 61 10.237 -6.909 -4.822 1.00 0.00 N ATOM 0 H LYS A 61 5.434 -2.102 -3.004 1.00 0.00 H new ATOM 0 HA LYS A 61 5.758 -3.546 -5.560 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.831 -3.286 -4.356 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.089 -3.756 -2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.615 -6.034 -3.999 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.765 -5.507 -5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.385 -5.040 -3.250 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.259 -5.933 -2.245 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.716 -7.627 -2.897 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.450 -7.789 -4.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 10.270 -7.747 -5.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 9.965 -6.077 -5.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.175 -6.751 -4.402 1.00 0.00 H new ATOM 974 N LEU A 62 4.180 -5.372 -5.043 1.00 0.00 N ATOM 975 CA LEU A 62 3.194 -6.415 -4.785 1.00 0.00 C ATOM 976 C LEU A 62 3.782 -7.798 -5.047 1.00 0.00 C ATOM 977 O LEU A 62 4.267 -8.081 -6.143 1.00 0.00 O ATOM 978 CB LEU A 62 1.956 -6.201 -5.657 1.00 0.00 C ATOM 979 CG LEU A 62 1.192 -4.897 -5.429 1.00 0.00 C ATOM 980 CD1 LEU A 62 0.155 -4.688 -6.521 1.00 0.00 C ATOM 981 CD2 LEU A 62 0.532 -4.897 -4.058 1.00 0.00 C ATOM 0 H LEU A 62 4.441 -5.272 -6.024 1.00 0.00 H new ATOM 0 HA LEU A 62 2.906 -6.356 -3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 62 2.261 -6.242 -6.703 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.272 -7.033 -5.492 1.00 0.00 H new ATOM 0 HG LEU A 62 1.903 -4.071 -5.468 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.379 -3.755 -6.342 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.652 -4.642 -7.490 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.552 -5.517 -6.515 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.007 -3.961 -3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.166 -5.732 -3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.295 -4.999 -3.287 1.00 0.00 H new ATOM 993 N THR A 63 3.735 -8.658 -4.034 1.00 0.00 N ATOM 994 CA THR A 63 4.262 -10.011 -4.155 1.00 0.00 C ATOM 995 C THR A 63 3.203 -11.048 -3.797 1.00 0.00 C ATOM 996 O THR A 63 2.645 -11.025 -2.700 1.00 0.00 O ATOM 997 CB THR A 63 5.492 -10.218 -3.252 1.00 0.00 C ATOM 998 OG1 THR A 63 6.453 -9.183 -3.488 1.00 0.00 O ATOM 999 CG2 THR A 63 6.129 -11.576 -3.508 1.00 0.00 C ATOM 0 H THR A 63 3.337 -8.441 -3.120 1.00 0.00 H new ATOM 0 HA THR A 63 4.558 -10.142 -5.196 1.00 0.00 H new ATOM 0 HB THR A 63 5.163 -10.178 -2.213 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.231 -9.321 -2.909 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.996 -11.700 -2.859 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.404 -12.363 -3.299 1.00 0.00 H new ATOM 0 HG23 THR A 63 6.444 -11.640 -4.550 1.00 0.00 H new ATOM 1007 N ILE A 64 2.930 -11.955 -4.729 1.00 0.00 N ATOM 1008 CA ILE A 64 1.939 -13.000 -4.510 1.00 0.00 C ATOM 1009 C ILE A 64 2.607 -14.349 -4.267 1.00 0.00 C ATOM 1010 O ILE A 64 3.353 -14.844 -5.112 1.00 0.00 O ATOM 1011 CB ILE A 64 0.977 -13.125 -5.707 1.00 0.00 C ATOM 1012 CG1 ILE A 64 0.123 -11.862 -5.836 1.00 0.00 C ATOM 1013 CG2 ILE A 64 0.095 -14.354 -5.552 1.00 0.00 C ATOM 1014 CD1 ILE A 64 -1.009 -11.793 -4.836 1.00 0.00 C ATOM 0 H ILE A 64 3.382 -11.987 -5.643 1.00 0.00 H new ATOM 0 HA ILE A 64 1.370 -12.714 -3.625 1.00 0.00 H new ATOM 0 HB ILE A 64 1.566 -13.238 -6.617 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.761 -10.987 -5.711 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.290 -11.814 -6.844 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.579 -14.428 -6.405 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.719 -15.246 -5.504 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.489 -14.270 -4.635 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.572 -10.872 -4.986 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.670 -12.648 -4.975 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.603 -11.809 -3.825 1.00 0.00 H new ATOM 1026 N GLN A 65 2.332 -14.940 -3.108 1.00 0.00 N ATOM 1027 CA GLN A 65 2.906 -16.232 -2.755 1.00 0.00 C ATOM 1028 C GLN A 65 1.935 -17.045 -1.905 1.00 0.00 C ATOM 1029 O GLN A 65 1.427 -16.563 -0.894 1.00 0.00 O ATOM 1030 CB GLN A 65 4.224 -16.040 -2.002 1.00 0.00 C ATOM 1031 CG GLN A 65 5.112 -17.274 -2.006 1.00 0.00 C ATOM 1032 CD GLN A 65 6.393 -17.074 -1.219 1.00 0.00 C ATOM 1033 OE1 GLN A 65 6.616 -16.013 -0.635 1.00 0.00 O ATOM 1034 NE2 GLN A 65 7.241 -18.095 -1.199 1.00 0.00 N ATOM 0 H GLN A 65 1.715 -14.544 -2.398 1.00 0.00 H new ATOM 0 HA GLN A 65 3.099 -16.780 -3.677 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.770 -15.208 -2.448 1.00 0.00 H new ATOM 0 HB3 GLN A 65 4.007 -15.762 -0.971 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.560 -18.115 -1.587 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.359 -17.536 -3.035 1.00 0.00 H new ATOM 0 HE21 GLN A 65 7.015 -18.956 -1.698 1.00 0.00 H new ATOM 0 HE22 GLN A 65 8.119 -18.019 -0.685 1.00 0.00 H new ATOM 1043 N ASN A 66 1.682 -18.281 -2.324 1.00 0.00 N ATOM 1044 CA ASN A 66 0.771 -19.161 -1.601 1.00 0.00 C ATOM 1045 C ASN A 66 -0.554 -18.460 -1.320 1.00 0.00 C ATOM 1046 O ASN A 66 -0.999 -18.387 -0.174 1.00 0.00 O ATOM 1047 CB ASN A 66 1.407 -19.620 -0.287 1.00 0.00 C ATOM 1048 CG ASN A 66 2.442 -20.709 -0.495 1.00 0.00 C ATOM 1049 OD1 ASN A 66 2.199 -21.684 -1.207 1.00 0.00 O ATOM 1050 ND2 ASN A 66 3.604 -20.548 0.127 1.00 0.00 N ATOM 0 H ASN A 66 2.095 -18.695 -3.160 1.00 0.00 H new ATOM 0 HA ASN A 66 0.575 -20.032 -2.226 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.875 -18.767 0.204 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.628 -19.986 0.382 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.339 -21.248 0.024 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.762 -19.724 0.707 1.00 0.00 H new ATOM 1057 N ARG A 67 -1.180 -17.945 -2.373 1.00 0.00 N ATOM 1058 CA ARG A 67 -2.454 -17.249 -2.240 1.00 0.00 C ATOM 1059 C ARG A 67 -2.358 -16.132 -1.204 1.00 0.00 C ATOM 1060 O ARG A 67 -3.344 -15.791 -0.553 1.00 0.00 O ATOM 1061 CB ARG A 67 -3.558 -18.231 -1.845 1.00 0.00 C ATOM 1062 CG ARG A 67 -3.980 -19.159 -2.972 1.00 0.00 C ATOM 1063 CD ARG A 67 -4.962 -20.214 -2.488 1.00 0.00 C ATOM 1064 NE ARG A 67 -4.342 -21.154 -1.559 1.00 0.00 N ATOM 1065 CZ ARG A 67 -3.554 -22.153 -1.941 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -3.292 -22.340 -3.227 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -3.027 -22.967 -1.035 1.00 0.00 N ATOM 0 H ARG A 67 -0.825 -17.997 -3.328 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.699 -16.806 -3.205 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.215 -18.830 -1.002 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.427 -17.669 -1.504 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.436 -18.577 -3.773 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.100 -19.645 -3.393 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.806 -19.727 -2.001 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.359 -20.759 -3.344 1.00 0.00 H new ATOM 0 HE ARG A 67 -4.524 -21.037 -0.562 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.696 -21.716 -3.926 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.687 -23.108 -3.518 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.227 -22.826 -0.045 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.422 -23.734 -1.329 1.00 0.00 H new ATOM 1081 N GLN A 68 -1.162 -15.569 -1.058 1.00 0.00 N ATOM 1082 CA GLN A 68 -0.938 -14.493 -0.101 1.00 0.00 C ATOM 1083 C GLN A 68 -0.471 -13.225 -0.807 1.00 0.00 C ATOM 1084 O GLN A 68 0.162 -13.287 -1.861 1.00 0.00 O ATOM 1085 CB GLN A 68 0.096 -14.918 0.944 1.00 0.00 C ATOM 1086 CG GLN A 68 0.057 -14.083 2.214 1.00 0.00 C ATOM 1087 CD GLN A 68 -0.943 -14.605 3.226 1.00 0.00 C ATOM 1088 OE1 GLN A 68 -1.585 -15.633 3.008 1.00 0.00 O ATOM 1089 NE2 GLN A 68 -1.081 -13.898 4.342 1.00 0.00 N ATOM 0 H GLN A 68 -0.335 -15.840 -1.590 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.884 -14.282 0.398 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.069 -15.964 1.202 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.092 -14.851 0.506 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.049 -14.068 2.665 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.194 -13.053 1.959 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.529 -13.052 4.481 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -1.739 -14.201 5.060 1.00 0.00 H new ATOM 1098 N ALA A 69 -0.787 -12.075 -0.220 1.00 0.00 N ATOM 1099 CA ALA A 69 -0.399 -10.792 -0.793 1.00 0.00 C ATOM 1100 C ALA A 69 0.388 -9.958 0.213 1.00 0.00 C ATOM 1101 O ALA A 69 0.035 -9.894 1.390 1.00 0.00 O ATOM 1102 CB ALA A 69 -1.628 -10.031 -1.266 1.00 0.00 C ATOM 0 H ALA A 69 -1.311 -12.006 0.652 1.00 0.00 H new ATOM 0 HA ALA A 69 0.246 -10.985 -1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.323 -9.075 -1.691 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.149 -10.616 -2.024 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.295 -9.856 -0.422 1.00 0.00 H new ATOM 1108 N GLN A 70 1.455 -9.321 -0.260 1.00 0.00 N ATOM 1109 CA GLN A 70 2.291 -8.492 0.600 1.00 0.00 C ATOM 1110 C GLN A 70 2.604 -7.157 -0.069 1.00 0.00 C ATOM 1111 O GLN A 70 2.810 -7.092 -1.281 1.00 0.00 O ATOM 1112 CB GLN A 70 3.592 -9.222 0.939 1.00 0.00 C ATOM 1113 CG GLN A 70 3.483 -10.124 2.158 1.00 0.00 C ATOM 1114 CD GLN A 70 4.541 -11.210 2.177 1.00 0.00 C ATOM 1115 OE1 GLN A 70 5.727 -10.934 2.354 1.00 0.00 O ATOM 1116 NE2 GLN A 70 4.115 -12.455 1.994 1.00 0.00 N ATOM 0 H GLN A 70 1.760 -9.363 -1.232 1.00 0.00 H new ATOM 0 HA GLN A 70 1.741 -8.297 1.521 1.00 0.00 H new ATOM 0 HB2 GLN A 70 3.898 -9.820 0.081 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.378 -8.486 1.111 1.00 0.00 H new ATOM 0 HG2 GLN A 70 3.571 -9.520 3.061 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.495 -10.584 2.178 1.00 0.00 H new ATOM 0 HE21 GLN A 70 3.122 -12.638 1.851 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.781 -13.228 1.997 1.00 0.00 H new ATOM 1125 N ILE A 71 2.636 -6.095 0.729 1.00 0.00 N ATOM 1126 CA ILE A 71 2.924 -4.762 0.215 1.00 0.00 C ATOM 1127 C ILE A 71 4.144 -4.159 0.902 1.00 0.00 C ATOM 1128 O ILE A 71 4.270 -4.215 2.125 1.00 0.00 O ATOM 1129 CB ILE A 71 1.724 -3.816 0.401 1.00 0.00 C ATOM 1130 CG1 ILE A 71 1.217 -3.877 1.844 1.00 0.00 C ATOM 1131 CG2 ILE A 71 0.610 -4.174 -0.572 1.00 0.00 C ATOM 1132 CD1 ILE A 71 0.206 -2.801 2.175 1.00 0.00 C ATOM 0 H ILE A 71 2.466 -6.132 1.734 1.00 0.00 H new ATOM 0 HA ILE A 71 3.128 -4.872 -0.850 1.00 0.00 H new ATOM 0 HB ILE A 71 2.049 -2.797 0.192 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.767 -4.854 2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 71 2.065 -3.788 2.523 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.231 -3.496 -0.428 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.977 -4.084 -1.594 1.00 0.00 H new ATOM 0 HG23 ILE A 71 0.285 -5.199 -0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.109 -2.905 3.213 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.658 -1.820 2.030 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.660 -2.902 1.521 1.00 0.00 H new ATOM 1144 N GLU A 72 5.039 -3.581 0.107 1.00 0.00 N ATOM 1145 CA GLU A 72 6.249 -2.966 0.640 1.00 0.00 C ATOM 1146 C GLU A 72 6.660 -1.758 -0.197 1.00 0.00 C ATOM 1147 O GLU A 72 6.695 -1.823 -1.426 1.00 0.00 O ATOM 1148 CB GLU A 72 7.390 -3.984 0.680 1.00 0.00 C ATOM 1149 CG GLU A 72 8.714 -3.398 1.142 1.00 0.00 C ATOM 1150 CD GLU A 72 8.730 -3.093 2.627 1.00 0.00 C ATOM 1151 OE1 GLU A 72 8.345 -1.966 3.005 1.00 0.00 O ATOM 1152 OE2 GLU A 72 9.127 -3.979 3.411 1.00 0.00 O ATOM 0 H GLU A 72 4.949 -3.526 -0.908 1.00 0.00 H new ATOM 0 HA GLU A 72 6.037 -2.628 1.654 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.113 -4.802 1.345 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.519 -4.412 -0.314 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.517 -4.097 0.910 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.916 -2.483 0.585 1.00 0.00 H new ATOM 1159 N VAL A 73 6.969 -0.655 0.478 1.00 0.00 N ATOM 1160 CA VAL A 73 7.377 0.568 -0.202 1.00 0.00 C ATOM 1161 C VAL A 73 8.874 0.564 -0.489 1.00 0.00 C ATOM 1162 O VAL A 73 9.687 0.307 0.399 1.00 0.00 O ATOM 1163 CB VAL A 73 7.029 1.816 0.630 1.00 0.00 C ATOM 1164 CG1 VAL A 73 7.530 3.076 -0.060 1.00 0.00 C ATOM 1165 CG2 VAL A 73 5.529 1.893 0.873 1.00 0.00 C ATOM 0 H VAL A 73 6.944 -0.584 1.495 1.00 0.00 H new ATOM 0 HA VAL A 73 6.829 0.604 -1.144 1.00 0.00 H new ATOM 0 HB VAL A 73 7.528 1.737 1.596 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.275 3.947 0.543 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.612 3.021 -0.178 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.063 3.164 -1.041 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.301 2.781 1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.008 1.948 -0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 73 5.202 1.005 1.414 1.00 0.00 H new ATOM 1175 N VAL A 74 9.233 0.850 -1.737 1.00 0.00 N ATOM 1176 CA VAL A 74 10.634 0.881 -2.141 1.00 0.00 C ATOM 1177 C VAL A 74 11.232 2.269 -1.945 1.00 0.00 C ATOM 1178 O VAL A 74 10.559 3.289 -2.096 1.00 0.00 O ATOM 1179 CB VAL A 74 10.801 0.465 -3.615 1.00 0.00 C ATOM 1180 CG1 VAL A 74 10.204 -0.913 -3.852 1.00 0.00 C ATOM 1181 CG2 VAL A 74 10.166 1.497 -4.535 1.00 0.00 C ATOM 0 H VAL A 74 8.573 1.063 -2.485 1.00 0.00 H new ATOM 0 HA VAL A 74 11.163 0.169 -1.507 1.00 0.00 H new ATOM 0 HB VAL A 74 11.866 0.416 -3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 74 10.331 -1.190 -4.899 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.710 -1.642 -3.220 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.142 -0.896 -3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 74 10.293 1.187 -5.572 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.103 1.581 -4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.646 2.464 -4.384 1.00 0.00 H new ATOM 1191 N PRO A 75 12.528 2.312 -1.600 1.00 0.00 N ATOM 1192 CA PRO A 75 13.246 3.570 -1.377 1.00 0.00 C ATOM 1193 C PRO A 75 13.463 4.351 -2.669 1.00 0.00 C ATOM 1194 O PRO A 75 12.934 3.990 -3.720 1.00 0.00 O ATOM 1195 CB PRO A 75 14.587 3.114 -0.796 1.00 0.00 C ATOM 1196 CG PRO A 75 14.770 1.727 -1.308 1.00 0.00 C ATOM 1197 CD PRO A 75 13.391 1.135 -1.403 1.00 0.00 C ATOM 0 HA PRO A 75 12.691 4.246 -0.726 1.00 0.00 H new ATOM 0 HB2 PRO A 75 15.400 3.765 -1.118 1.00 0.00 H new ATOM 0 HB3 PRO A 75 14.574 3.135 0.294 1.00 0.00 H new ATOM 0 HG2 PRO A 75 15.260 1.732 -2.281 1.00 0.00 H new ATOM 0 HG3 PRO A 75 15.400 1.143 -0.637 1.00 0.00 H new ATOM 0 HD2 PRO A 75 13.311 0.434 -2.234 1.00 0.00 H new ATOM 0 HD3 PRO A 75 13.125 0.588 -0.498 1.00 0.00 H new ATOM 1205 N SER A 76 14.245 5.423 -2.583 1.00 0.00 N ATOM 1206 CA SER A 76 14.529 6.257 -3.744 1.00 0.00 C ATOM 1207 C SER A 76 15.863 5.872 -4.376 1.00 0.00 C ATOM 1208 O SER A 76 16.905 6.438 -4.046 1.00 0.00 O ATOM 1209 CB SER A 76 14.547 7.734 -3.346 1.00 0.00 C ATOM 1210 OG SER A 76 15.119 8.531 -4.369 1.00 0.00 O ATOM 0 H SER A 76 14.693 5.734 -1.721 1.00 0.00 H new ATOM 0 HA SER A 76 13.739 6.096 -4.478 1.00 0.00 H new ATOM 0 HB2 SER A 76 13.531 8.072 -3.143 1.00 0.00 H new ATOM 0 HB3 SER A 76 15.114 7.858 -2.424 1.00 0.00 H new ATOM 0 HG SER A 76 15.117 9.471 -4.091 1.00 0.00 H new ATOM 1216 N ALA A 77 15.823 4.905 -5.287 1.00 0.00 N ATOM 1217 CA ALA A 77 17.027 4.445 -5.967 1.00 0.00 C ATOM 1218 C ALA A 77 16.988 4.796 -7.450 1.00 0.00 C ATOM 1219 O ALA A 77 15.942 4.700 -8.093 1.00 0.00 O ATOM 1220 CB ALA A 77 17.197 2.945 -5.782 1.00 0.00 C ATOM 0 H ALA A 77 14.969 4.425 -5.571 1.00 0.00 H new ATOM 0 HA ALA A 77 17.882 4.954 -5.523 1.00 0.00 H new ATOM 0 HB1 ALA A 77 18.100 2.615 -6.295 1.00 0.00 H new ATOM 0 HB2 ALA A 77 17.279 2.716 -4.719 1.00 0.00 H new ATOM 0 HB3 ALA A 77 16.333 2.427 -6.199 1.00 0.00 H new ATOM 1226 N SER A 78 18.133 5.203 -7.988 1.00 0.00 N ATOM 1227 CA SER A 78 18.228 5.572 -9.395 1.00 0.00 C ATOM 1228 C SER A 78 19.013 4.525 -10.180 1.00 0.00 C ATOM 1229 O SER A 78 20.213 4.673 -10.405 1.00 0.00 O ATOM 1230 CB SER A 78 18.896 6.941 -9.541 1.00 0.00 C ATOM 1231 OG SER A 78 19.099 7.267 -10.905 1.00 0.00 O ATOM 0 H SER A 78 19.008 5.286 -7.470 1.00 0.00 H new ATOM 0 HA SER A 78 17.217 5.623 -9.800 1.00 0.00 H new ATOM 0 HB2 SER A 78 18.276 7.704 -9.070 1.00 0.00 H new ATOM 0 HB3 SER A 78 19.852 6.940 -9.018 1.00 0.00 H new ATOM 0 HG SER A 78 19.526 8.147 -10.971 1.00 0.00 H new ATOM 1237 N ALA A 79 18.324 3.466 -10.594 1.00 0.00 N ATOM 1238 CA ALA A 79 18.954 2.395 -11.355 1.00 0.00 C ATOM 1239 C ALA A 79 20.281 1.983 -10.727 1.00 0.00 C ATOM 1240 O ALA A 79 21.262 1.733 -11.430 1.00 0.00 O ATOM 1241 CB ALA A 79 19.163 2.826 -12.800 1.00 0.00 C ATOM 0 H ALA A 79 17.329 3.328 -10.415 1.00 0.00 H new ATOM 0 HA ALA A 79 18.290 1.531 -11.338 1.00 0.00 H new ATOM 0 HB1 ALA A 79 19.634 2.016 -13.357 1.00 0.00 H new ATOM 0 HB2 ALA A 79 18.200 3.064 -13.252 1.00 0.00 H new ATOM 0 HB3 ALA A 79 19.804 3.707 -12.828 1.00 0.00 H new ATOM 1247 N LEU A 80 20.307 1.914 -9.401 1.00 0.00 N ATOM 1248 CA LEU A 80 21.515 1.532 -8.678 1.00 0.00 C ATOM 1249 C LEU A 80 21.762 0.031 -8.784 1.00 0.00 C ATOM 1250 O LEU A 80 21.310 -0.744 -7.941 1.00 0.00 O ATOM 1251 CB LEU A 80 21.403 1.939 -7.207 1.00 0.00 C ATOM 1252 CG LEU A 80 21.533 3.434 -6.913 1.00 0.00 C ATOM 1253 CD1 LEU A 80 21.073 3.741 -5.497 1.00 0.00 C ATOM 1254 CD2 LEU A 80 22.969 3.895 -7.121 1.00 0.00 C ATOM 0 H LEU A 80 19.505 2.118 -8.804 1.00 0.00 H new ATOM 0 HA LEU A 80 22.359 2.053 -9.130 1.00 0.00 H new ATOM 0 HB2 LEU A 80 20.440 1.597 -6.828 1.00 0.00 H new ATOM 0 HB3 LEU A 80 22.173 1.410 -6.645 1.00 0.00 H new ATOM 0 HG LEU A 80 20.893 3.979 -7.607 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.173 4.809 -5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.030 3.447 -5.382 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.686 3.186 -4.787 1.00 0.00 H new ATOM 0 HD21 LEU A 80 23.043 4.961 -6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 80 23.629 3.344 -6.451 1.00 0.00 H new ATOM 0 HD23 LEU A 80 23.264 3.710 -8.154 1.00 0.00 H new ATOM 1266 N SER A 81 22.483 -0.373 -9.825 1.00 0.00 N ATOM 1267 CA SER A 81 22.789 -1.782 -10.043 1.00 0.00 C ATOM 1268 C SER A 81 24.007 -1.940 -10.947 1.00 0.00 C ATOM 1269 O SER A 81 24.349 -1.038 -11.710 1.00 0.00 O ATOM 1270 CB SER A 81 21.586 -2.498 -10.659 1.00 0.00 C ATOM 1271 OG SER A 81 20.720 -2.998 -9.655 1.00 0.00 O ATOM 0 H SER A 81 22.866 0.256 -10.531 1.00 0.00 H new ATOM 0 HA SER A 81 23.015 -2.233 -9.077 1.00 0.00 H new ATOM 0 HB2 SER A 81 21.040 -1.809 -11.304 1.00 0.00 H new ATOM 0 HB3 SER A 81 21.931 -3.319 -11.288 1.00 0.00 H new ATOM 0 HG SER A 81 20.721 -2.388 -8.888 1.00 0.00 H new ATOM 1277 N GLY A 82 24.660 -3.095 -10.854 1.00 0.00 N ATOM 1278 CA GLY A 82 25.833 -3.352 -11.669 1.00 0.00 C ATOM 1279 C GLY A 82 27.123 -3.224 -10.883 1.00 0.00 C ATOM 1280 O GLY A 82 27.241 -2.406 -9.970 1.00 0.00 O ATOM 0 H GLY A 82 24.397 -3.857 -10.229 1.00 0.00 H new ATOM 0 HA2 GLY A 82 25.766 -4.355 -12.091 1.00 0.00 H new ATOM 0 HA3 GLY A 82 25.850 -2.654 -12.506 1.00 0.00 H new ATOM 1284 N PRO A 83 28.120 -4.048 -11.238 1.00 0.00 N ATOM 1285 CA PRO A 83 29.426 -4.044 -10.571 1.00 0.00 C ATOM 1286 C PRO A 83 30.228 -2.783 -10.876 1.00 0.00 C ATOM 1287 O PRO A 83 31.032 -2.758 -11.808 1.00 0.00 O ATOM 1288 CB PRO A 83 30.125 -5.276 -11.151 1.00 0.00 C ATOM 1289 CG PRO A 83 29.479 -5.489 -12.476 1.00 0.00 C ATOM 1290 CD PRO A 83 28.050 -5.048 -12.317 1.00 0.00 C ATOM 0 HA PRO A 83 29.329 -4.064 -9.485 1.00 0.00 H new ATOM 0 HB2 PRO A 83 31.197 -5.110 -11.255 1.00 0.00 H new ATOM 0 HB3 PRO A 83 29.998 -6.144 -10.504 1.00 0.00 H new ATOM 0 HG2 PRO A 83 29.981 -4.912 -13.252 1.00 0.00 H new ATOM 0 HG3 PRO A 83 29.533 -6.536 -12.773 1.00 0.00 H new ATOM 0 HD2 PRO A 83 27.657 -4.618 -13.238 1.00 0.00 H new ATOM 0 HD3 PRO A 83 27.399 -5.881 -12.051 1.00 0.00 H new ATOM 1298 N SER A 84 30.005 -1.739 -10.084 1.00 0.00 N ATOM 1299 CA SER A 84 30.705 -0.474 -10.272 1.00 0.00 C ATOM 1300 C SER A 84 31.892 -0.363 -9.320 1.00 0.00 C ATOM 1301 O SER A 84 31.722 -0.291 -8.103 1.00 0.00 O ATOM 1302 CB SER A 84 29.749 0.700 -10.052 1.00 0.00 C ATOM 1303 OG SER A 84 28.627 0.613 -10.913 1.00 0.00 O ATOM 0 H SER A 84 29.345 -1.744 -9.306 1.00 0.00 H new ATOM 0 HA SER A 84 31.078 -0.443 -11.296 1.00 0.00 H new ATOM 0 HB2 SER A 84 29.415 0.711 -9.014 1.00 0.00 H new ATOM 0 HB3 SER A 84 30.274 1.639 -10.228 1.00 0.00 H new ATOM 0 HG SER A 84 28.031 1.374 -10.751 1.00 0.00 H new ATOM 1309 N SER A 85 33.096 -0.351 -9.884 1.00 0.00 N ATOM 1310 CA SER A 85 34.313 -0.253 -9.087 1.00 0.00 C ATOM 1311 C SER A 85 34.631 1.202 -8.758 1.00 0.00 C ATOM 1312 O SER A 85 34.802 1.564 -7.595 1.00 0.00 O ATOM 1313 CB SER A 85 35.488 -0.888 -9.832 1.00 0.00 C ATOM 1314 OG SER A 85 36.722 -0.541 -9.228 1.00 0.00 O ATOM 0 H SER A 85 33.254 -0.408 -10.890 1.00 0.00 H new ATOM 0 HA SER A 85 34.151 -0.791 -8.153 1.00 0.00 H new ATOM 0 HB2 SER A 85 35.375 -1.972 -9.839 1.00 0.00 H new ATOM 0 HB3 SER A 85 35.483 -0.560 -10.872 1.00 0.00 H new ATOM 0 HG SER A 85 37.457 -0.960 -9.722 1.00 0.00 H new ATOM 1320 N GLY A 86 34.710 2.033 -9.793 1.00 0.00 N ATOM 1321 CA GLY A 86 35.008 3.439 -9.595 1.00 0.00 C ATOM 1322 C GLY A 86 34.045 4.106 -8.632 1.00 0.00 C ATOM 1323 O GLY A 86 33.615 5.237 -8.857 1.00 0.00 O ATOM 0 H GLY A 86 34.573 1.757 -10.765 1.00 0.00 H new ATOM 0 HA2 GLY A 86 36.025 3.542 -9.217 1.00 0.00 H new ATOM 0 HA3 GLY A 86 34.972 3.954 -10.555 1.00 0.00 H new TER 1327 GLY A 86