USER MOD reduce.3.24.130724 H: found=0, std=0, add=1034, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1037 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 65 GLN : amide:sc= 0 K(o=-0.085,f=0.47) USER MOD Set 1.2: A 84 SER OG : rot 180:sc= -0.0849 USER MOD Set 2.1: A 4 GLN : amide:sc= 0.533 X(o=1.5,f=1.3) USER MOD Set 2.2: A 7 SER OG : rot 180:sc= 0.955 USER MOD Single : A 2 LYS NZ :NH3+ -172:sc= 1.25 (180deg=1.16) USER MOD Single : A 6 GLN : amide:sc= -0.188 K(o=-0.19,f=-0.8) USER MOD Single : A 18 LYS NZ :NH3+ 171:sc= 1.23 (180deg=1.11) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 24 THR OG1 : rot 120:sc= 0.88 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 ASN : amide:sc= -1.59! C(o=-1.6!,f=-11!) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0277 USER MOD Single : A 42 SER OG : rot 180:sc= 0.0198 USER MOD Single : A 46 ASN : amide:sc= -0.153 K(o=-0.15,f=-3.5!) USER MOD Single : A 49 LYS NZ :NH3+ -164:sc= -0.0377 (180deg=-0.264) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -137:sc= 0.857 (180deg=-0.171) USER MOD Single : A 59 LYS NZ :NH3+ 146:sc= -0.496 (180deg=-0.585) USER MOD Single : A 61 GLN : amide:sc= -0.671 K(o=-0.67,f=-12!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.713 USER MOD Single : A 73 GLN : amide:sc= -1.72! K(o=-1.7!,f=-0.1) USER MOD Single : A 75 HIS : no HD1:sc= -0.217 X(o=-0.22,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -102:sc= 0.126 USER MOD Single : A 89 SER OG : rot 150:sc= 1.22 USER MOD Single : A 95 GLN : amide:sc= -4.18! C(o=-4.2!,f=-11!) USER MOD Single : A 99 LYS NZ :NH3+ -167:sc= 0.678 (180deg=0.457) USER MOD Single : A 102 SER OG : rot -20:sc= 0.599 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0849 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.445 USER MOD Single : A 114 ASN : amide:sc= -0.928 K(o=-0.93,f=-0.42) USER MOD Single : A 116 THR OG1 : rot 180:sc=-0.00822 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0.239 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 2 36.883 19.997 30.791 1.00 0.00 N ATOM 2 CA LYS A 2 36.824 18.536 30.577 1.00 0.00 C ATOM 3 C LYS A 2 35.701 17.921 31.409 1.00 0.00 C ATOM 4 O LYS A 2 35.870 17.641 32.596 1.00 0.00 O ATOM 5 CB LYS A 2 38.179 17.905 30.929 1.00 0.00 C ATOM 6 CG LYS A 2 38.186 16.385 30.893 1.00 0.00 C ATOM 7 CD LYS A 2 39.592 15.829 31.042 1.00 0.00 C ATOM 8 CE LYS A 2 39.573 14.349 31.393 1.00 0.00 C ATOM 9 NZ LYS A 2 39.204 14.128 32.818 1.00 0.00 N1+ ATOM 0 HA LYS A 2 36.610 18.336 29.527 1.00 0.00 H new ATOM 0 HB2 LYS A 2 38.932 18.277 30.234 1.00 0.00 H new ATOM 0 HB3 LYS A 2 38.473 18.235 31.925 1.00 0.00 H new ATOM 0 HG2 LYS A 2 37.555 15.999 31.693 1.00 0.00 H new ATOM 0 HG3 LYS A 2 37.756 16.041 29.953 1.00 0.00 H new ATOM 0 HD2 LYS A 2 40.143 15.976 30.113 1.00 0.00 H new ATOM 0 HD3 LYS A 2 40.122 16.381 31.818 1.00 0.00 H new ATOM 0 HE2 LYS A 2 38.863 13.831 30.748 1.00 0.00 H new ATOM 0 HE3 LYS A 2 40.554 13.916 31.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 39.332 13.124 33.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 39.812 14.710 33.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 38.210 14.395 32.964 1.00 0.00 H new ATOM 25 N VAL A 3 34.545 17.729 30.782 1.00 0.00 N ATOM 26 CA VAL A 3 33.396 17.130 31.451 1.00 0.00 C ATOM 27 C VAL A 3 32.887 15.919 30.673 1.00 0.00 C ATOM 28 O VAL A 3 31.901 15.289 31.054 1.00 0.00 O ATOM 29 CB VAL A 3 32.240 18.141 31.630 1.00 0.00 C ATOM 30 CG1 VAL A 3 32.647 19.267 32.573 1.00 0.00 C ATOM 31 CG2 VAL A 3 31.794 18.698 30.282 1.00 0.00 C ATOM 0 H VAL A 3 34.379 17.981 29.808 1.00 0.00 H new ATOM 0 HA VAL A 3 33.735 16.816 32.438 1.00 0.00 H new ATOM 0 HB VAL A 3 31.396 17.615 32.075 1.00 0.00 H new ATOM 0 HG11 VAL A 3 31.818 19.966 32.684 1.00 0.00 H new ATOM 0 HG12 VAL A 3 32.904 18.851 33.547 1.00 0.00 H new ATOM 0 HG13 VAL A 3 33.511 19.790 32.163 1.00 0.00 H new ATOM 0 HG21 VAL A 3 30.980 19.407 30.433 1.00 0.00 H new ATOM 0 HG22 VAL A 3 32.632 19.204 29.802 1.00 0.00 H new ATOM 0 HG23 VAL A 3 31.451 17.882 29.646 1.00 0.00 H new ATOM 41 N GLN A 4 33.577 15.596 29.589 1.00 0.00 N ATOM 42 CA GLN A 4 33.189 14.492 28.724 1.00 0.00 C ATOM 43 C GLN A 4 34.183 13.347 28.891 1.00 0.00 C ATOM 44 O GLN A 4 34.685 12.783 27.917 1.00 0.00 O ATOM 45 CB GLN A 4 33.148 14.974 27.268 1.00 0.00 C ATOM 46 CG GLN A 4 32.407 14.046 26.320 1.00 0.00 C ATOM 47 CD GLN A 4 30.938 13.909 26.663 1.00 0.00 C ATOM 48 OE1 GLN A 4 30.332 14.815 27.230 1.00 0.00 O ATOM 49 NE2 GLN A 4 30.350 12.788 26.292 1.00 0.00 N ATOM 0 H GLN A 4 34.417 16.089 29.286 1.00 0.00 H new ATOM 0 HA GLN A 4 32.197 14.133 28.997 1.00 0.00 H new ATOM 0 HB2 GLN A 4 32.678 15.957 27.237 1.00 0.00 H new ATOM 0 HB3 GLN A 4 34.170 15.098 26.910 1.00 0.00 H new ATOM 0 HG2 GLN A 4 32.504 14.421 25.301 1.00 0.00 H new ATOM 0 HG3 GLN A 4 32.874 13.062 26.343 1.00 0.00 H new ATOM 0 HE21 GLN A 4 30.889 12.060 25.823 1.00 0.00 H new ATOM 0 HE22 GLN A 4 29.356 12.649 26.474 1.00 0.00 H new ATOM 58 N GLU A 5 34.477 13.026 30.143 1.00 0.00 N ATOM 59 CA GLU A 5 35.448 11.992 30.468 1.00 0.00 C ATOM 60 C GLU A 5 34.862 10.606 30.219 1.00 0.00 C ATOM 61 O GLU A 5 33.868 10.224 30.841 1.00 0.00 O ATOM 62 CB GLU A 5 35.894 12.137 31.923 1.00 0.00 C ATOM 63 CG GLU A 5 36.904 11.094 32.369 1.00 0.00 C ATOM 64 CD GLU A 5 37.443 11.373 33.752 1.00 0.00 C ATOM 65 OE1 GLU A 5 36.690 11.204 34.732 1.00 0.00 O ATOM 66 OE2 GLU A 5 38.625 11.759 33.867 1.00 0.00 O1- ATOM 0 H GLU A 5 34.052 13.472 30.956 1.00 0.00 H new ATOM 0 HA GLU A 5 36.317 12.110 29.821 1.00 0.00 H new ATOM 0 HB2 GLU A 5 36.326 13.128 32.062 1.00 0.00 H new ATOM 0 HB3 GLU A 5 35.017 12.078 32.568 1.00 0.00 H new ATOM 0 HG2 GLU A 5 36.436 10.109 32.355 1.00 0.00 H new ATOM 0 HG3 GLU A 5 37.730 11.064 31.659 1.00 0.00 H new ATOM 73 N GLN A 6 35.491 9.869 29.303 1.00 0.00 N ATOM 74 CA GLN A 6 35.027 8.541 28.897 1.00 0.00 C ATOM 75 C GLN A 6 33.663 8.658 28.222 1.00 0.00 C ATOM 76 O GLN A 6 32.636 8.253 28.768 1.00 0.00 O ATOM 77 CB GLN A 6 34.968 7.579 30.094 1.00 0.00 C ATOM 78 CG GLN A 6 34.721 6.133 29.700 1.00 0.00 C ATOM 79 CD GLN A 6 35.824 5.570 28.824 1.00 0.00 C ATOM 80 OE1 GLN A 6 36.983 5.971 28.925 1.00 0.00 O ATOM 81 NE2 GLN A 6 35.470 4.639 27.957 1.00 0.00 N ATOM 0 H GLN A 6 36.336 10.175 28.821 1.00 0.00 H new ATOM 0 HA GLN A 6 35.740 8.126 28.185 1.00 0.00 H new ATOM 0 HB2 GLN A 6 35.906 7.641 30.646 1.00 0.00 H new ATOM 0 HB3 GLN A 6 34.177 7.903 30.771 1.00 0.00 H new ATOM 0 HG2 GLN A 6 34.631 5.525 30.600 1.00 0.00 H new ATOM 0 HG3 GLN A 6 33.770 6.062 29.171 1.00 0.00 H new ATOM 0 HE21 GLN A 6 34.498 4.334 27.905 1.00 0.00 H new ATOM 0 HE22 GLN A 6 36.168 4.225 27.340 1.00 0.00 H new ATOM 90 N SER A 7 33.668 9.233 27.031 1.00 0.00 N ATOM 91 CA SER A 7 32.442 9.499 26.300 1.00 0.00 C ATOM 92 C SER A 7 31.902 8.236 25.638 1.00 0.00 C ATOM 93 O SER A 7 32.659 7.419 25.106 1.00 0.00 O ATOM 94 CB SER A 7 32.697 10.573 25.241 1.00 0.00 C ATOM 95 OG SER A 7 31.494 10.946 24.587 1.00 0.00 O ATOM 0 H SER A 7 34.516 9.527 26.547 1.00 0.00 H new ATOM 0 HA SER A 7 31.694 9.851 27.010 1.00 0.00 H new ATOM 0 HB2 SER A 7 33.146 11.449 25.709 1.00 0.00 H new ATOM 0 HB3 SER A 7 33.412 10.201 24.507 1.00 0.00 H new ATOM 0 HG SER A 7 31.686 11.635 23.917 1.00 0.00 H new ATOM 101 N VAL A 8 30.586 8.081 25.676 1.00 0.00 N ATOM 102 CA VAL A 8 29.922 6.987 24.979 1.00 0.00 C ATOM 103 C VAL A 8 29.357 7.486 23.652 1.00 0.00 C ATOM 104 O VAL A 8 29.427 8.682 23.355 1.00 0.00 O ATOM 105 CB VAL A 8 28.788 6.363 25.821 1.00 0.00 C ATOM 106 CG1 VAL A 8 29.347 5.753 27.097 1.00 0.00 C ATOM 107 CG2 VAL A 8 27.716 7.396 26.144 1.00 0.00 C ATOM 0 H VAL A 8 29.955 8.701 26.184 1.00 0.00 H new ATOM 0 HA VAL A 8 30.668 6.212 24.802 1.00 0.00 H new ATOM 0 HB VAL A 8 28.325 5.571 25.233 1.00 0.00 H new ATOM 0 HG11 VAL A 8 28.534 5.318 27.679 1.00 0.00 H new ATOM 0 HG12 VAL A 8 30.068 4.976 26.843 1.00 0.00 H new ATOM 0 HG13 VAL A 8 29.840 6.527 27.685 1.00 0.00 H new ATOM 0 HG21 VAL A 8 26.929 6.930 26.738 1.00 0.00 H new ATOM 0 HG22 VAL A 8 28.159 8.216 26.709 1.00 0.00 H new ATOM 0 HG23 VAL A 8 27.291 7.782 25.217 1.00 0.00 H new ATOM 117 N GLY A 9 28.804 6.579 22.862 1.00 0.00 N ATOM 118 CA GLY A 9 28.234 6.958 21.585 1.00 0.00 C ATOM 119 C GLY A 9 27.767 5.757 20.796 1.00 0.00 C ATOM 120 O GLY A 9 28.217 4.635 21.040 1.00 0.00 O ATOM 0 H GLY A 9 28.739 5.585 23.082 1.00 0.00 H new ATOM 0 HA2 GLY A 9 27.394 7.633 21.749 1.00 0.00 H new ATOM 0 HA3 GLY A 9 28.976 7.507 21.005 1.00 0.00 H new ATOM 124 N ALA A 10 26.857 5.986 19.860 1.00 0.00 N ATOM 125 CA ALA A 10 26.320 4.916 19.035 1.00 0.00 C ATOM 126 C ALA A 10 26.917 4.956 17.634 1.00 0.00 C ATOM 127 O ALA A 10 26.795 5.958 16.928 1.00 0.00 O ATOM 128 CB ALA A 10 24.804 5.019 18.965 1.00 0.00 C ATOM 0 H ALA A 10 26.474 6.909 19.653 1.00 0.00 H new ATOM 0 HA ALA A 10 26.590 3.964 19.492 1.00 0.00 H new ATOM 0 HB1 ALA A 10 24.413 4.213 18.345 1.00 0.00 H new ATOM 0 HB2 ALA A 10 24.387 4.939 19.969 1.00 0.00 H new ATOM 0 HB3 ALA A 10 24.524 5.979 18.531 1.00 0.00 H new ATOM 134 N PRO A 11 27.600 3.879 17.225 1.00 0.00 N ATOM 135 CA PRO A 11 28.169 3.751 15.894 1.00 0.00 C ATOM 136 C PRO A 11 27.216 3.055 14.920 1.00 0.00 C ATOM 137 O PRO A 11 27.027 1.836 14.983 1.00 0.00 O ATOM 138 CB PRO A 11 29.417 2.893 16.139 1.00 0.00 C ATOM 139 CG PRO A 11 29.223 2.229 17.475 1.00 0.00 C ATOM 140 CD PRO A 11 27.905 2.703 18.038 1.00 0.00 C ATOM 0 HA PRO A 11 28.379 4.718 15.436 1.00 0.00 H new ATOM 0 HB2 PRO A 11 29.538 2.150 15.351 1.00 0.00 H new ATOM 0 HB3 PRO A 11 30.317 3.508 16.138 1.00 0.00 H new ATOM 0 HG2 PRO A 11 29.224 1.144 17.366 1.00 0.00 H new ATOM 0 HG3 PRO A 11 30.040 2.483 18.150 1.00 0.00 H new ATOM 0 HD2 PRO A 11 27.131 1.940 17.949 1.00 0.00 H new ATOM 0 HD3 PRO A 11 27.986 2.954 19.096 1.00 0.00 H new ATOM 148 N PRO A 12 26.600 3.833 14.011 1.00 0.00 N ATOM 149 CA PRO A 12 25.644 3.316 13.016 1.00 0.00 C ATOM 150 C PRO A 12 26.160 2.124 12.185 1.00 0.00 C ATOM 151 O PRO A 12 25.420 1.159 11.996 1.00 0.00 O ATOM 152 CB PRO A 12 25.375 4.526 12.117 1.00 0.00 C ATOM 153 CG PRO A 12 25.648 5.706 12.982 1.00 0.00 C ATOM 154 CD PRO A 12 26.771 5.297 13.892 1.00 0.00 C ATOM 0 HA PRO A 12 24.760 2.913 13.510 1.00 0.00 H new ATOM 0 HB2 PRO A 12 26.022 4.520 11.240 1.00 0.00 H new ATOM 0 HB3 PRO A 12 24.347 4.530 11.755 1.00 0.00 H new ATOM 0 HG2 PRO A 12 25.926 6.573 12.383 1.00 0.00 H new ATOM 0 HG3 PRO A 12 24.763 5.984 13.554 1.00 0.00 H new ATOM 0 HD2 PRO A 12 27.743 5.555 13.472 1.00 0.00 H new ATOM 0 HD3 PRO A 12 26.702 5.790 14.862 1.00 0.00 H new ATOM 162 N PRO A 13 27.414 2.150 11.656 1.00 0.00 N ATOM 163 CA PRO A 13 27.953 1.024 10.874 1.00 0.00 C ATOM 164 C PRO A 13 28.281 -0.205 11.729 1.00 0.00 C ATOM 165 O PRO A 13 29.403 -0.718 11.702 1.00 0.00 O ATOM 166 CB PRO A 13 29.229 1.598 10.254 1.00 0.00 C ATOM 167 CG PRO A 13 29.654 2.669 11.193 1.00 0.00 C ATOM 168 CD PRO A 13 28.385 3.264 11.734 1.00 0.00 C ATOM 0 HA PRO A 13 27.226 0.664 10.146 1.00 0.00 H new ATOM 0 HB2 PRO A 13 29.998 0.833 10.151 1.00 0.00 H new ATOM 0 HB3 PRO A 13 29.041 1.997 9.257 1.00 0.00 H new ATOM 0 HG2 PRO A 13 30.270 2.264 11.996 1.00 0.00 H new ATOM 0 HG3 PRO A 13 30.253 3.423 10.682 1.00 0.00 H new ATOM 0 HD2 PRO A 13 28.512 3.614 12.759 1.00 0.00 H new ATOM 0 HD3 PRO A 13 28.060 4.120 11.143 1.00 0.00 H new ATOM 176 N GLY A 14 27.297 -0.673 12.484 1.00 0.00 N ATOM 177 CA GLY A 14 27.465 -1.882 13.262 1.00 0.00 C ATOM 178 C GLY A 14 27.396 -3.110 12.378 1.00 0.00 C ATOM 179 O GLY A 14 28.200 -4.034 12.514 1.00 0.00 O ATOM 0 H GLY A 14 26.381 -0.233 12.571 1.00 0.00 H new ATOM 0 HA2 GLY A 14 28.424 -1.855 13.779 1.00 0.00 H new ATOM 0 HA3 GLY A 14 26.691 -1.937 14.028 1.00 0.00 H new ATOM 183 N ARG A 15 26.439 -3.105 11.457 1.00 0.00 N ATOM 184 CA ARG A 15 26.288 -4.191 10.496 1.00 0.00 C ATOM 185 C ARG A 15 26.426 -3.653 9.075 1.00 0.00 C ATOM 186 O ARG A 15 25.479 -3.683 8.286 1.00 0.00 O ATOM 187 CB ARG A 15 24.929 -4.878 10.665 1.00 0.00 C ATOM 188 CG ARG A 15 24.622 -5.293 12.094 1.00 0.00 C ATOM 189 CD ARG A 15 23.305 -6.045 12.184 1.00 0.00 C ATOM 190 NE ARG A 15 22.224 -5.342 11.494 1.00 0.00 N ATOM 191 CZ ARG A 15 21.085 -4.969 12.069 1.00 0.00 C ATOM 192 NH1 ARG A 15 20.875 -5.195 13.357 1.00 0.00 N1+ ATOM 193 NH2 ARG A 15 20.159 -4.361 11.347 1.00 0.00 N ATOM 0 H ARG A 15 25.753 -2.357 11.356 1.00 0.00 H new ATOM 0 HA ARG A 15 27.072 -4.926 10.679 1.00 0.00 H new ATOM 0 HB2 ARG A 15 24.146 -4.204 10.317 1.00 0.00 H new ATOM 0 HB3 ARG A 15 24.897 -5.760 10.026 1.00 0.00 H new ATOM 0 HG2 ARG A 15 25.428 -5.922 12.473 1.00 0.00 H new ATOM 0 HG3 ARG A 15 24.582 -4.409 12.730 1.00 0.00 H new ATOM 0 HD2 ARG A 15 23.425 -7.039 11.752 1.00 0.00 H new ATOM 0 HD3 ARG A 15 23.037 -6.183 13.232 1.00 0.00 H new ATOM 0 HE ARG A 15 22.353 -5.123 10.506 1.00 0.00 H new ATOM 0 HH11 ARG A 15 21.590 -5.659 13.917 1.00 0.00 H new ATOM 0 HH12 ARG A 15 19.998 -4.905 13.789 1.00 0.00 H new ATOM 0 HH21 ARG A 15 20.321 -4.181 10.356 1.00 0.00 H new ATOM 0 HH22 ARG A 15 19.282 -4.072 11.781 1.00 0.00 H new ATOM 207 N ALA A 16 27.613 -3.156 8.755 1.00 0.00 N ATOM 208 CA ALA A 16 27.870 -2.559 7.453 1.00 0.00 C ATOM 209 C ALA A 16 28.250 -3.632 6.441 1.00 0.00 C ATOM 210 O ALA A 16 29.393 -3.709 5.987 1.00 0.00 O ATOM 211 CB ALA A 16 28.961 -1.506 7.563 1.00 0.00 C ATOM 0 H ALA A 16 28.416 -3.155 9.383 1.00 0.00 H new ATOM 0 HA ALA A 16 26.959 -2.073 7.104 1.00 0.00 H new ATOM 0 HB1 ALA A 16 29.143 -1.067 6.582 1.00 0.00 H new ATOM 0 HB2 ALA A 16 28.646 -0.726 8.256 1.00 0.00 H new ATOM 0 HB3 ALA A 16 29.877 -1.968 7.930 1.00 0.00 H new ATOM 217 N ASP A 17 27.282 -4.468 6.104 1.00 0.00 N ATOM 218 CA ASP A 17 27.507 -5.568 5.178 1.00 0.00 C ATOM 219 C ASP A 17 27.262 -5.122 3.744 1.00 0.00 C ATOM 220 O ASP A 17 26.502 -4.181 3.495 1.00 0.00 O ATOM 221 CB ASP A 17 26.606 -6.758 5.515 1.00 0.00 C ATOM 222 CG ASP A 17 26.827 -7.278 6.920 1.00 0.00 C ATOM 223 OD1 ASP A 17 27.937 -7.775 7.211 1.00 0.00 O1- ATOM 224 OD2 ASP A 17 25.891 -7.197 7.745 1.00 0.00 O ATOM 0 H ASP A 17 26.328 -4.406 6.459 1.00 0.00 H new ATOM 0 HA ASP A 17 28.547 -5.880 5.277 1.00 0.00 H new ATOM 0 HB2 ASP A 17 25.563 -6.463 5.401 1.00 0.00 H new ATOM 0 HB3 ASP A 17 26.790 -7.561 4.801 1.00 0.00 H new ATOM 229 N LYS A 18 27.908 -5.798 2.805 1.00 0.00 N ATOM 230 CA LYS A 18 27.791 -5.458 1.395 1.00 0.00 C ATOM 231 C LYS A 18 27.016 -6.547 0.662 1.00 0.00 C ATOM 232 O LYS A 18 27.599 -7.395 -0.018 1.00 0.00 O ATOM 233 CB LYS A 18 29.177 -5.272 0.751 1.00 0.00 C ATOM 234 CG LYS A 18 30.000 -4.115 1.316 1.00 0.00 C ATOM 235 CD LYS A 18 30.531 -4.421 2.709 1.00 0.00 C ATOM 236 CE LYS A 18 31.382 -3.290 3.253 1.00 0.00 C ATOM 237 NZ LYS A 18 31.818 -3.553 4.648 1.00 0.00 N1+ ATOM 0 H LYS A 18 28.522 -6.590 2.996 1.00 0.00 H new ATOM 0 HA LYS A 18 27.252 -4.514 1.315 1.00 0.00 H new ATOM 0 HB2 LYS A 18 29.744 -6.195 0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 18 29.046 -5.116 -0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 18 30.835 -3.904 0.648 1.00 0.00 H new ATOM 0 HG3 LYS A 18 29.385 -3.216 1.352 1.00 0.00 H new ATOM 0 HD2 LYS A 18 29.695 -4.603 3.384 1.00 0.00 H new ATOM 0 HD3 LYS A 18 31.121 -5.337 2.679 1.00 0.00 H new ATOM 0 HE2 LYS A 18 32.257 -3.155 2.617 1.00 0.00 H new ATOM 0 HE3 LYS A 18 30.816 -2.359 3.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 32.518 -2.839 4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 30.996 -3.506 5.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 32.246 -4.499 4.705 1.00 0.00 H new ATOM 251 N THR A 19 25.704 -6.531 0.823 1.00 0.00 N ATOM 252 CA THR A 19 24.842 -7.506 0.184 1.00 0.00 C ATOM 253 C THR A 19 24.628 -7.141 -1.283 1.00 0.00 C ATOM 254 O THR A 19 23.803 -6.284 -1.605 1.00 0.00 O ATOM 255 CB THR A 19 23.481 -7.585 0.901 1.00 0.00 C ATOM 256 OG1 THR A 19 23.675 -7.559 2.324 1.00 0.00 O ATOM 257 CG2 THR A 19 22.735 -8.856 0.514 1.00 0.00 C ATOM 0 H THR A 19 25.211 -5.847 1.396 1.00 0.00 H new ATOM 0 HA THR A 19 25.328 -8.480 0.246 1.00 0.00 H new ATOM 0 HB THR A 19 22.886 -6.724 0.596 1.00 0.00 H new ATOM 0 HG1 THR A 19 22.806 -7.608 2.774 1.00 0.00 H new ATOM 0 HG21 THR A 19 21.777 -8.888 1.033 1.00 0.00 H new ATOM 0 HG22 THR A 19 22.564 -8.864 -0.563 1.00 0.00 H new ATOM 0 HG23 THR A 19 23.329 -9.726 0.794 1.00 0.00 H new ATOM 265 N ALA A 20 25.394 -7.768 -2.164 1.00 0.00 N ATOM 266 CA ALA A 20 25.291 -7.504 -3.591 1.00 0.00 C ATOM 267 C ALA A 20 25.259 -8.801 -4.377 1.00 0.00 C ATOM 268 O ALA A 20 26.262 -9.511 -4.474 1.00 0.00 O ATOM 269 CB ALA A 20 26.444 -6.624 -4.051 1.00 0.00 C ATOM 0 H ALA A 20 26.096 -8.465 -1.914 1.00 0.00 H new ATOM 0 HA ALA A 20 24.357 -6.974 -3.777 1.00 0.00 H new ATOM 0 HB1 ALA A 20 26.353 -6.435 -5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 20 26.417 -5.677 -3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 20 27.389 -7.128 -3.851 1.00 0.00 H new ATOM 275 N ALA A 21 24.099 -9.104 -4.929 1.00 0.00 N ATOM 276 CA ALA A 21 23.886 -10.329 -5.675 1.00 0.00 C ATOM 277 C ALA A 21 22.811 -10.101 -6.736 1.00 0.00 C ATOM 278 O ALA A 21 22.215 -9.025 -6.767 1.00 0.00 O ATOM 279 CB ALA A 21 23.482 -11.449 -4.722 1.00 0.00 C ATOM 0 H ALA A 21 23.275 -8.505 -4.872 1.00 0.00 H new ATOM 0 HA ALA A 21 24.810 -10.621 -6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 21 23.323 -12.368 -5.287 1.00 0.00 H new ATOM 0 HB2 ALA A 21 24.273 -11.606 -3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 21 22.561 -11.175 -4.208 1.00 0.00 H new ATOM 285 N PRO A 22 22.539 -11.076 -7.625 1.00 0.00 N ATOM 286 CA PRO A 22 21.451 -10.958 -8.608 1.00 0.00 C ATOM 287 C PRO A 22 20.100 -10.646 -7.954 1.00 0.00 C ATOM 288 O PRO A 22 19.205 -10.091 -8.587 1.00 0.00 O ATOM 289 CB PRO A 22 21.412 -12.337 -9.288 1.00 0.00 C ATOM 290 CG PRO A 22 22.250 -13.229 -8.432 1.00 0.00 C ATOM 291 CD PRO A 22 23.270 -12.342 -7.784 1.00 0.00 C ATOM 0 HA PRO A 22 21.628 -10.136 -9.302 1.00 0.00 H new ATOM 0 HB2 PRO A 22 20.390 -12.710 -9.361 1.00 0.00 H new ATOM 0 HB3 PRO A 22 21.805 -12.285 -10.303 1.00 0.00 H new ATOM 0 HG2 PRO A 22 21.641 -13.735 -7.683 1.00 0.00 H new ATOM 0 HG3 PRO A 22 22.730 -14.004 -9.029 1.00 0.00 H new ATOM 0 HD2 PRO A 22 23.604 -12.741 -6.826 1.00 0.00 H new ATOM 0 HD3 PRO A 22 24.157 -12.223 -8.406 1.00 0.00 H new ATOM 299 N GLN A 23 19.970 -10.982 -6.674 1.00 0.00 N ATOM 300 CA GLN A 23 18.728 -10.764 -5.944 1.00 0.00 C ATOM 301 C GLN A 23 18.596 -9.329 -5.437 1.00 0.00 C ATOM 302 O GLN A 23 17.482 -8.833 -5.270 1.00 0.00 O ATOM 303 CB GLN A 23 18.625 -11.732 -4.768 1.00 0.00 C ATOM 304 CG GLN A 23 18.361 -13.167 -5.181 1.00 0.00 C ATOM 305 CD GLN A 23 18.243 -14.097 -3.990 1.00 0.00 C ATOM 306 OE1 GLN A 23 18.887 -13.894 -2.962 1.00 0.00 O ATOM 307 NE2 GLN A 23 17.402 -15.110 -4.108 1.00 0.00 N ATOM 0 H GLN A 23 20.713 -11.408 -6.120 1.00 0.00 H new ATOM 0 HA GLN A 23 17.913 -10.946 -6.645 1.00 0.00 H new ATOM 0 HB2 GLN A 23 19.551 -11.693 -4.194 1.00 0.00 H new ATOM 0 HB3 GLN A 23 17.825 -11.401 -4.105 1.00 0.00 H new ATOM 0 HG2 GLN A 23 17.442 -13.211 -5.766 1.00 0.00 H new ATOM 0 HG3 GLN A 23 19.168 -13.510 -5.829 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.886 -15.245 -4.977 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.270 -15.756 -3.330 1.00 0.00 H new ATOM 316 N THR A 24 19.717 -8.645 -5.217 1.00 0.00 N ATOM 317 CA THR A 24 19.680 -7.312 -4.622 1.00 0.00 C ATOM 318 C THR A 24 19.392 -6.234 -5.666 1.00 0.00 C ATOM 319 O THR A 24 19.802 -5.083 -5.521 1.00 0.00 O ATOM 320 CB THR A 24 20.990 -6.987 -3.882 1.00 0.00 C ATOM 321 OG1 THR A 24 22.109 -7.146 -4.760 1.00 0.00 O ATOM 322 CG2 THR A 24 21.162 -7.893 -2.674 1.00 0.00 C ATOM 0 H THR A 24 20.652 -8.987 -5.439 1.00 0.00 H new ATOM 0 HA THR A 24 18.864 -7.316 -3.899 1.00 0.00 H new ATOM 0 HB THR A 24 20.940 -5.952 -3.545 1.00 0.00 H new ATOM 0 HG1 THR A 24 22.584 -6.293 -4.842 1.00 0.00 H new ATOM 0 HG21 THR A 24 22.094 -7.647 -2.165 1.00 0.00 H new ATOM 0 HG22 THR A 24 20.326 -7.750 -1.990 1.00 0.00 H new ATOM 0 HG23 THR A 24 21.190 -8.933 -3.000 1.00 0.00 H new ATOM 330 N ARG A 25 18.694 -6.621 -6.723 1.00 0.00 N ATOM 331 CA ARG A 25 18.226 -5.675 -7.726 1.00 0.00 C ATOM 332 C ARG A 25 16.721 -5.826 -7.913 1.00 0.00 C ATOM 333 O ARG A 25 16.094 -5.067 -8.646 1.00 0.00 O ATOM 334 CB ARG A 25 18.951 -5.886 -9.059 1.00 0.00 C ATOM 335 CG ARG A 25 18.766 -7.274 -9.650 1.00 0.00 C ATOM 336 CD ARG A 25 19.532 -7.431 -10.950 1.00 0.00 C ATOM 337 NE ARG A 25 19.500 -8.806 -11.446 1.00 0.00 N ATOM 338 CZ ARG A 25 20.380 -9.308 -12.313 1.00 0.00 C ATOM 339 NH1 ARG A 25 21.340 -8.543 -12.823 1.00 0.00 N1+ ATOM 340 NH2 ARG A 25 20.291 -10.579 -12.681 1.00 0.00 N ATOM 0 H ARG A 25 18.438 -7.590 -6.909 1.00 0.00 H new ATOM 0 HA ARG A 25 18.446 -4.665 -7.380 1.00 0.00 H new ATOM 0 HB2 ARG A 25 18.594 -5.146 -9.776 1.00 0.00 H new ATOM 0 HB3 ARG A 25 20.016 -5.703 -8.915 1.00 0.00 H new ATOM 0 HG2 ARG A 25 19.104 -8.023 -8.934 1.00 0.00 H new ATOM 0 HG3 ARG A 25 17.706 -7.457 -9.827 1.00 0.00 H new ATOM 0 HD2 ARG A 25 19.109 -6.765 -11.702 1.00 0.00 H new ATOM 0 HD3 ARG A 25 20.567 -7.125 -10.799 1.00 0.00 H new ATOM 0 HE ARG A 25 18.758 -9.419 -11.108 1.00 0.00 H new ATOM 0 HH11 ARG A 25 21.409 -7.562 -12.552 1.00 0.00 H new ATOM 0 HH12 ARG A 25 22.008 -8.937 -13.485 1.00 0.00 H new ATOM 0 HH21 ARG A 25 19.551 -11.169 -12.301 1.00 0.00 H new ATOM 0 HH22 ARG A 25 20.962 -10.966 -13.344 1.00 0.00 H new ATOM 354 N LEU A 26 16.148 -6.812 -7.225 1.00 0.00 N ATOM 355 CA LEU A 26 14.725 -7.110 -7.338 1.00 0.00 C ATOM 356 C LEU A 26 14.155 -7.525 -5.987 1.00 0.00 C ATOM 357 O LEU A 26 13.298 -8.407 -5.905 1.00 0.00 O ATOM 358 CB LEU A 26 14.491 -8.224 -8.368 1.00 0.00 C ATOM 359 CG LEU A 26 14.763 -7.838 -9.825 1.00 0.00 C ATOM 360 CD1 LEU A 26 14.672 -9.058 -10.727 1.00 0.00 C ATOM 361 CD2 LEU A 26 13.780 -6.771 -10.284 1.00 0.00 C ATOM 0 H LEU A 26 16.653 -7.420 -6.580 1.00 0.00 H new ATOM 0 HA LEU A 26 14.214 -6.207 -7.671 1.00 0.00 H new ATOM 0 HB2 LEU A 26 15.124 -9.073 -8.110 1.00 0.00 H new ATOM 0 HB3 LEU A 26 13.458 -8.561 -8.286 1.00 0.00 H new ATOM 0 HG LEU A 26 15.773 -7.434 -9.889 1.00 0.00 H new ATOM 0 HD11 LEU A 26 14.868 -8.764 -11.758 1.00 0.00 H new ATOM 0 HD12 LEU A 26 15.409 -9.798 -10.414 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.673 -9.489 -10.657 1.00 0.00 H new ATOM 0 HD21 LEU A 26 13.987 -6.508 -11.321 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.763 -7.154 -10.203 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.885 -5.886 -9.657 1.00 0.00 H new ATOM 373 N THR A 27 14.635 -6.895 -4.925 1.00 0.00 N ATOM 374 CA THR A 27 14.164 -7.207 -3.586 1.00 0.00 C ATOM 375 C THR A 27 13.243 -6.092 -3.081 1.00 0.00 C ATOM 376 O THR A 27 13.503 -4.906 -3.311 1.00 0.00 O ATOM 377 CB THR A 27 15.346 -7.433 -2.607 1.00 0.00 C ATOM 378 OG1 THR A 27 14.863 -7.918 -1.348 1.00 0.00 O ATOM 379 CG2 THR A 27 16.147 -6.154 -2.390 1.00 0.00 C ATOM 0 H THR A 27 15.348 -6.167 -4.965 1.00 0.00 H new ATOM 0 HA THR A 27 13.598 -8.137 -3.632 1.00 0.00 H new ATOM 0 HB THR A 27 16.006 -8.176 -3.055 1.00 0.00 H new ATOM 0 HG1 THR A 27 15.619 -8.058 -0.740 1.00 0.00 H new ATOM 0 HG21 THR A 27 16.966 -6.351 -1.699 1.00 0.00 H new ATOM 0 HG22 THR A 27 16.550 -5.811 -3.343 1.00 0.00 H new ATOM 0 HG23 THR A 27 15.498 -5.384 -1.973 1.00 0.00 H new ATOM 387 N PRO A 28 12.134 -6.456 -2.415 1.00 0.00 N ATOM 388 CA PRO A 28 11.131 -5.501 -1.936 1.00 0.00 C ATOM 389 C PRO A 28 11.561 -4.768 -0.666 1.00 0.00 C ATOM 390 O PRO A 28 10.910 -4.872 0.374 1.00 0.00 O ATOM 391 CB PRO A 28 9.896 -6.377 -1.657 1.00 0.00 C ATOM 392 CG PRO A 28 10.250 -7.751 -2.134 1.00 0.00 C ATOM 393 CD PRO A 28 11.747 -7.830 -2.094 1.00 0.00 C ATOM 0 HA PRO A 28 10.957 -4.711 -2.667 1.00 0.00 H new ATOM 0 HB2 PRO A 28 9.654 -6.383 -0.594 1.00 0.00 H new ATOM 0 HB3 PRO A 28 9.020 -5.995 -2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 28 9.802 -8.513 -1.496 1.00 0.00 H new ATOM 0 HG3 PRO A 28 9.877 -7.921 -3.144 1.00 0.00 H new ATOM 0 HD2 PRO A 28 12.113 -8.139 -1.115 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.137 -8.544 -2.820 1.00 0.00 H new ATOM 401 N TYR A 29 12.656 -4.028 -0.753 1.00 0.00 N ATOM 402 CA TYR A 29 13.112 -3.217 0.364 1.00 0.00 C ATOM 403 C TYR A 29 13.428 -1.801 -0.098 1.00 0.00 C ATOM 404 O TYR A 29 14.401 -1.570 -0.817 1.00 0.00 O ATOM 405 CB TYR A 29 14.339 -3.839 1.037 1.00 0.00 C ATOM 406 CG TYR A 29 14.847 -3.032 2.216 1.00 0.00 C ATOM 407 CD1 TYR A 29 14.179 -3.056 3.436 1.00 0.00 C ATOM 408 CD2 TYR A 29 15.982 -2.235 2.105 1.00 0.00 C ATOM 409 CE1 TYR A 29 14.629 -2.309 4.510 1.00 0.00 C ATOM 410 CE2 TYR A 29 16.435 -1.485 3.174 1.00 0.00 C ATOM 411 CZ TYR A 29 15.759 -1.525 4.373 1.00 0.00 C ATOM 412 OH TYR A 29 16.208 -0.774 5.437 1.00 0.00 O ATOM 0 H TYR A 29 13.244 -3.973 -1.585 1.00 0.00 H new ATOM 0 HA TYR A 29 12.306 -3.178 1.097 1.00 0.00 H new ATOM 0 HB2 TYR A 29 14.090 -4.845 1.374 1.00 0.00 H new ATOM 0 HB3 TYR A 29 15.138 -3.938 0.302 1.00 0.00 H new ATOM 0 HD1 TYR A 29 13.295 -3.667 3.546 1.00 0.00 H new ATOM 0 HD2 TYR A 29 16.518 -2.202 1.168 1.00 0.00 H new ATOM 0 HE1 TYR A 29 14.100 -2.338 5.451 1.00 0.00 H new ATOM 0 HE2 TYR A 29 17.316 -0.870 3.069 1.00 0.00 H new ATOM 0 HH TYR A 29 17.013 -0.282 5.173 1.00 0.00 H new ATOM 422 N ALA A 30 12.590 -0.863 0.312 1.00 0.00 N ATOM 423 CA ALA A 30 12.802 0.541 0.004 1.00 0.00 C ATOM 424 C ALA A 30 13.438 1.239 1.199 1.00 0.00 C ATOM 425 O ALA A 30 14.605 1.629 1.158 1.00 0.00 O ATOM 426 CB ALA A 30 11.481 1.198 -0.366 1.00 0.00 C ATOM 0 H ALA A 30 11.752 -1.051 0.862 1.00 0.00 H new ATOM 0 HA ALA A 30 13.477 0.627 -0.848 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.650 2.250 -0.595 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.059 0.700 -1.239 1.00 0.00 H new ATOM 0 HB3 ALA A 30 10.787 1.116 0.470 1.00 0.00 H new ATOM 432 N GLN A 31 12.662 1.355 2.267 1.00 0.00 N ATOM 433 CA GLN A 31 13.121 1.944 3.517 1.00 0.00 C ATOM 434 C GLN A 31 12.025 1.785 4.553 1.00 0.00 C ATOM 435 O GLN A 31 12.268 1.368 5.687 1.00 0.00 O ATOM 436 CB GLN A 31 13.477 3.425 3.343 1.00 0.00 C ATOM 437 CG GLN A 31 14.042 4.060 4.605 1.00 0.00 C ATOM 438 CD GLN A 31 14.584 5.453 4.367 1.00 0.00 C ATOM 439 OE1 GLN A 31 13.869 6.447 4.496 1.00 0.00 O ATOM 440 NE2 GLN A 31 15.858 5.529 4.022 1.00 0.00 N ATOM 0 H GLN A 31 11.692 1.042 2.291 1.00 0.00 H new ATOM 0 HA GLN A 31 14.026 1.431 3.842 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.204 3.525 2.537 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.586 3.972 3.037 1.00 0.00 H new ATOM 0 HG2 GLN A 31 13.262 4.103 5.365 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.837 3.428 5.000 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.412 4.678 3.927 1.00 0.00 H new ATOM 0 HE22 GLN A 31 16.287 6.439 3.851 1.00 0.00 H new ATOM 449 N ALA A 32 10.814 2.118 4.143 1.00 0.00 N ATOM 450 CA ALA A 32 9.635 1.864 4.948 1.00 0.00 C ATOM 451 C ALA A 32 8.961 0.587 4.460 1.00 0.00 C ATOM 452 O ALA A 32 9.408 -0.016 3.482 1.00 0.00 O ATOM 453 CB ALA A 32 8.674 3.043 4.882 1.00 0.00 C ATOM 0 H ALA A 32 10.622 2.569 3.249 1.00 0.00 H new ATOM 0 HA ALA A 32 9.930 1.737 5.990 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.796 2.832 5.493 1.00 0.00 H new ATOM 0 HB2 ALA A 32 9.170 3.938 5.257 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.367 3.204 3.849 1.00 0.00 H new ATOM 459 N GLY A 33 7.893 0.182 5.128 1.00 0.00 N ATOM 460 CA GLY A 33 7.206 -1.039 4.747 1.00 0.00 C ATOM 461 C GLY A 33 7.217 -2.058 5.853 1.00 0.00 C ATOM 462 O GLY A 33 6.742 -3.185 5.699 1.00 0.00 O ATOM 0 H GLY A 33 7.488 0.673 5.925 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.176 -0.807 4.478 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.680 -1.460 3.860 1.00 0.00 H new ATOM 466 N GLU A 34 7.762 -1.643 6.972 1.00 0.00 N ATOM 467 CA GLU A 34 7.783 -2.454 8.177 1.00 0.00 C ATOM 468 C GLU A 34 6.612 -2.059 9.055 1.00 0.00 C ATOM 469 O GLU A 34 6.210 -2.784 9.966 1.00 0.00 O ATOM 470 CB GLU A 34 9.100 -2.247 8.932 1.00 0.00 C ATOM 471 CG GLU A 34 10.328 -2.715 8.166 1.00 0.00 C ATOM 472 CD GLU A 34 10.383 -4.220 8.027 1.00 0.00 C ATOM 473 OE1 GLU A 34 9.819 -4.754 7.055 1.00 0.00 O ATOM 474 OE2 GLU A 34 10.989 -4.879 8.898 1.00 0.00 O1- ATOM 0 H GLU A 34 8.206 -0.731 7.078 1.00 0.00 H new ATOM 0 HA GLU A 34 7.703 -3.508 7.909 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.211 -1.188 9.166 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.051 -2.780 9.882 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.329 -2.261 7.175 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.226 -2.367 8.677 1.00 0.00 H new ATOM 481 N ASP A 35 6.066 -0.904 8.742 1.00 0.00 N ATOM 482 CA ASP A 35 4.978 -0.311 9.497 1.00 0.00 C ATOM 483 C ASP A 35 3.692 -0.338 8.678 1.00 0.00 C ATOM 484 O ASP A 35 3.724 -0.531 7.462 1.00 0.00 O ATOM 485 CB ASP A 35 5.341 1.129 9.881 1.00 0.00 C ATOM 486 CG ASP A 35 5.659 2.020 8.686 1.00 0.00 C ATOM 487 OD1 ASP A 35 6.364 1.564 7.750 1.00 0.00 O1- ATOM 488 OD2 ASP A 35 5.221 3.193 8.686 1.00 0.00 O ATOM 0 H ASP A 35 6.367 -0.341 7.946 1.00 0.00 H new ATOM 0 HA ASP A 35 4.817 -0.889 10.407 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.513 1.566 10.439 1.00 0.00 H new ATOM 0 HB3 ASP A 35 6.202 1.111 10.549 1.00 0.00 H new ATOM 493 N ASN A 36 2.564 -0.162 9.351 1.00 0.00 N ATOM 494 CA ASN A 36 1.265 -0.195 8.693 1.00 0.00 C ATOM 495 C ASN A 36 0.761 1.226 8.462 1.00 0.00 C ATOM 496 O ASN A 36 0.528 1.971 9.414 1.00 0.00 O ATOM 497 CB ASN A 36 0.269 -0.977 9.554 1.00 0.00 C ATOM 498 CG ASN A 36 -0.994 -1.357 8.808 1.00 0.00 C ATOM 499 OD1 ASN A 36 -1.416 -0.670 7.874 1.00 0.00 O ATOM 500 ND2 ASN A 36 -1.607 -2.457 9.222 1.00 0.00 N ATOM 0 H ASN A 36 2.522 0.006 10.356 1.00 0.00 H new ATOM 0 HA ASN A 36 1.365 -0.691 7.728 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.751 -1.882 9.924 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.003 -0.378 10.425 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.464 -2.766 8.764 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.222 -2.994 9.999 1.00 0.00 H new ATOM 507 N TRP A 37 0.595 1.601 7.199 1.00 0.00 N ATOM 508 CA TRP A 37 0.205 2.966 6.857 1.00 0.00 C ATOM 509 C TRP A 37 -1.255 3.048 6.439 1.00 0.00 C ATOM 510 O TRP A 37 -1.735 4.122 6.096 1.00 0.00 O ATOM 511 CB TRP A 37 1.051 3.517 5.704 1.00 0.00 C ATOM 512 CG TRP A 37 2.326 2.776 5.473 1.00 0.00 C ATOM 513 CD1 TRP A 37 3.430 2.786 6.266 1.00 0.00 C ATOM 514 CD2 TRP A 37 2.630 1.931 4.363 1.00 0.00 C ATOM 515 NE1 TRP A 37 4.405 1.986 5.725 1.00 0.00 N ATOM 516 CE2 TRP A 37 3.938 1.449 4.554 1.00 0.00 C ATOM 517 CE3 TRP A 37 1.920 1.524 3.229 1.00 0.00 C ATOM 518 CZ2 TRP A 37 4.550 0.590 3.645 1.00 0.00 C ATOM 519 CZ3 TRP A 37 2.529 0.672 2.333 1.00 0.00 C ATOM 520 CH2 TRP A 37 3.830 0.211 2.545 1.00 0.00 C ATOM 0 H TRP A 37 0.723 0.983 6.397 1.00 0.00 H new ATOM 0 HA TRP A 37 0.365 3.558 7.758 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.459 3.492 4.789 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.283 4.563 5.906 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.526 3.342 7.187 1.00 0.00 H new ATOM 0 HE1 TRP A 37 5.327 1.818 6.129 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.912 1.871 3.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.558 0.235 3.803 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 1.991 0.355 1.452 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.277 -0.459 1.826 1.00 0.00 H new ATOM 531 N ARG A 38 -1.969 1.932 6.473 1.00 0.00 N ATOM 532 CA ARG A 38 -3.310 1.901 5.889 1.00 0.00 C ATOM 533 C ARG A 38 -4.279 2.764 6.683 1.00 0.00 C ATOM 534 O ARG A 38 -5.190 3.360 6.118 1.00 0.00 O ATOM 535 CB ARG A 38 -3.863 0.484 5.764 1.00 0.00 C ATOM 536 CG ARG A 38 -4.343 -0.127 7.070 1.00 0.00 C ATOM 537 CD ARG A 38 -5.217 -1.336 6.801 1.00 0.00 C ATOM 538 NE ARG A 38 -5.869 -1.842 8.002 1.00 0.00 N ATOM 539 CZ ARG A 38 -6.758 -2.834 7.996 1.00 0.00 C ATOM 540 NH1 ARG A 38 -7.035 -3.481 6.869 1.00 0.00 N1+ ATOM 541 NH2 ARG A 38 -7.364 -3.180 9.121 1.00 0.00 N ATOM 0 H ARG A 38 -1.656 1.054 6.887 1.00 0.00 H new ATOM 0 HA ARG A 38 -3.211 2.309 4.883 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.692 0.493 5.056 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.090 -0.157 5.341 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -3.487 -0.418 7.678 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.903 0.614 7.641 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -5.976 -1.073 6.065 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.609 -2.127 6.363 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.632 -1.413 8.896 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.566 -3.219 6.002 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -7.717 -4.240 6.871 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -7.150 -2.688 9.988 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -8.045 -3.939 9.121 1.00 0.00 H new ATOM 555 N SER A 39 -4.080 2.835 7.987 1.00 0.00 N ATOM 556 CA SER A 39 -4.918 3.668 8.826 1.00 0.00 C ATOM 557 C SER A 39 -4.611 5.140 8.557 1.00 0.00 C ATOM 558 O SER A 39 -5.494 6.002 8.637 1.00 0.00 O ATOM 559 CB SER A 39 -4.700 3.304 10.292 1.00 0.00 C ATOM 560 OG SER A 39 -3.318 3.187 10.587 1.00 0.00 O ATOM 0 H SER A 39 -3.348 2.328 8.485 1.00 0.00 H new ATOM 0 HA SER A 39 -5.969 3.497 8.592 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.148 4.066 10.930 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.204 2.364 10.516 1.00 0.00 H new ATOM 0 HG SER A 39 -3.204 2.955 11.532 1.00 0.00 H new ATOM 566 N ARG A 40 -3.358 5.414 8.206 1.00 0.00 N ATOM 567 CA ARG A 40 -2.950 6.728 7.788 1.00 0.00 C ATOM 568 C ARG A 40 -3.598 7.041 6.444 1.00 0.00 C ATOM 569 O ARG A 40 -4.152 8.123 6.236 1.00 0.00 O ATOM 570 CB ARG A 40 -1.433 6.771 7.643 1.00 0.00 C ATOM 571 CG ARG A 40 -0.663 6.158 8.803 1.00 0.00 C ATOM 572 CD ARG A 40 -0.863 6.944 10.085 1.00 0.00 C ATOM 573 NE ARG A 40 0.152 6.626 11.085 1.00 0.00 N ATOM 574 CZ ARG A 40 0.412 7.392 12.142 1.00 0.00 C ATOM 575 NH1 ARG A 40 -0.323 8.476 12.374 1.00 0.00 N1+ ATOM 576 NH2 ARG A 40 1.399 7.068 12.973 1.00 0.00 N ATOM 0 H ARG A 40 -2.607 4.724 8.207 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.260 7.464 8.530 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.155 6.251 6.726 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.123 7.809 7.528 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.988 5.128 8.953 1.00 0.00 H new ATOM 0 HG3 ARG A 40 0.399 6.124 8.558 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.833 8.011 9.865 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.852 6.730 10.491 1.00 0.00 H new ATOM 0 HE ARG A 40 0.692 5.769 10.967 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.086 8.720 11.742 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.124 9.063 13.184 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.957 6.232 12.800 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.598 7.656 13.783 1.00 0.00 H new ATOM 590 N ILE A 41 -3.522 6.063 5.542 1.00 0.00 N ATOM 591 CA ILE A 41 -4.132 6.157 4.222 1.00 0.00 C ATOM 592 C ILE A 41 -5.632 6.415 4.351 1.00 0.00 C ATOM 593 O ILE A 41 -6.179 7.267 3.657 1.00 0.00 O ATOM 594 CB ILE A 41 -3.909 4.855 3.406 1.00 0.00 C ATOM 595 CG1 ILE A 41 -2.419 4.650 3.101 1.00 0.00 C ATOM 596 CG2 ILE A 41 -4.721 4.877 2.116 1.00 0.00 C ATOM 597 CD1 ILE A 41 -2.106 3.328 2.424 1.00 0.00 C ATOM 0 H ILE A 41 -3.034 5.183 5.709 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.658 6.986 3.697 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.252 4.016 4.012 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.073 5.464 2.464 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.856 4.713 4.032 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.548 3.955 1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.781 4.964 2.355 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.415 5.728 1.508 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.034 3.258 2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.419 2.506 3.068 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.640 3.269 1.476 1.00 0.00 H new ATOM 609 N SER A 42 -6.283 5.679 5.254 1.00 0.00 N ATOM 610 CA SER A 42 -7.720 5.820 5.486 1.00 0.00 C ATOM 611 C SER A 42 -8.093 7.262 5.845 1.00 0.00 C ATOM 612 O SER A 42 -9.154 7.750 5.447 1.00 0.00 O ATOM 613 CB SER A 42 -8.176 4.864 6.592 1.00 0.00 C ATOM 614 OG SER A 42 -9.579 4.931 6.788 1.00 0.00 O ATOM 0 H SER A 42 -5.833 4.975 5.839 1.00 0.00 H new ATOM 0 HA SER A 42 -8.233 5.564 4.559 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.892 3.844 6.333 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.665 5.111 7.522 1.00 0.00 H new ATOM 0 HG SER A 42 -9.840 4.309 7.499 1.00 0.00 H new ATOM 620 N GLY A 43 -7.228 7.945 6.593 1.00 0.00 N ATOM 621 CA GLY A 43 -7.476 9.343 6.903 1.00 0.00 C ATOM 622 C GLY A 43 -7.471 10.199 5.652 1.00 0.00 C ATOM 623 O GLY A 43 -8.320 11.074 5.471 1.00 0.00 O ATOM 0 H GLY A 43 -6.369 7.560 6.986 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.437 9.440 7.407 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.715 9.704 7.595 1.00 0.00 H new ATOM 627 N ARG A 44 -6.516 9.929 4.777 1.00 0.00 N ATOM 628 CA ARG A 44 -6.406 10.610 3.508 1.00 0.00 C ATOM 629 C ARG A 44 -7.548 10.204 2.576 1.00 0.00 C ATOM 630 O ARG A 44 -7.983 10.979 1.733 1.00 0.00 O ATOM 631 CB ARG A 44 -5.060 10.289 2.873 1.00 0.00 C ATOM 632 CG ARG A 44 -3.896 11.172 3.315 1.00 0.00 C ATOM 633 CD ARG A 44 -3.515 10.961 4.771 1.00 0.00 C ATOM 634 NE ARG A 44 -4.405 11.675 5.686 1.00 0.00 N ATOM 635 CZ ARG A 44 -4.189 11.799 6.994 1.00 0.00 C ATOM 636 NH1 ARG A 44 -3.094 11.291 7.545 1.00 0.00 N1+ ATOM 637 NH2 ARG A 44 -5.060 12.451 7.748 1.00 0.00 N ATOM 0 H ARG A 44 -5.794 9.226 4.933 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.475 11.685 3.676 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.811 9.252 3.096 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.161 10.367 1.790 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.031 10.967 2.685 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.161 12.218 3.162 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.540 9.896 5.000 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.490 11.297 4.929 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.244 12.105 5.298 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.411 10.802 6.966 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.935 11.390 8.548 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.895 12.858 7.327 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.896 12.547 8.750 1.00 0.00 H new ATOM 651 N LEU A 45 -7.996 8.965 2.707 1.00 0.00 N ATOM 652 CA LEU A 45 -9.122 8.456 1.935 1.00 0.00 C ATOM 653 C LEU A 45 -10.377 9.273 2.253 1.00 0.00 C ATOM 654 O LEU A 45 -11.232 9.494 1.399 1.00 0.00 O ATOM 655 CB LEU A 45 -9.323 6.971 2.275 1.00 0.00 C ATOM 656 CG LEU A 45 -9.948 6.102 1.181 1.00 0.00 C ATOM 657 CD1 LEU A 45 -9.501 4.658 1.345 1.00 0.00 C ATOM 658 CD2 LEU A 45 -11.466 6.179 1.221 1.00 0.00 C ATOM 0 H LEU A 45 -7.591 8.284 3.350 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.924 8.549 0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.354 6.546 2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.951 6.906 3.164 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.611 6.479 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -9.951 4.047 0.562 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.415 4.603 1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.817 4.288 2.320 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.883 5.552 0.433 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.823 5.829 2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.782 7.211 1.069 1.00 0.00 H new ATOM 670 N ASN A 46 -10.440 9.755 3.488 1.00 0.00 N ATOM 671 CA ASN A 46 -11.540 10.594 3.955 1.00 0.00 C ATOM 672 C ASN A 46 -11.443 11.963 3.313 1.00 0.00 C ATOM 673 O ASN A 46 -12.453 12.605 3.021 1.00 0.00 O ATOM 674 CB ASN A 46 -11.512 10.724 5.482 1.00 0.00 C ATOM 675 CG ASN A 46 -12.620 11.617 6.012 1.00 0.00 C ATOM 676 OD1 ASN A 46 -13.743 11.167 6.230 1.00 0.00 O ATOM 677 ND2 ASN A 46 -12.309 12.883 6.250 1.00 0.00 N ATOM 0 H ASN A 46 -9.729 9.575 4.197 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.483 10.127 3.670 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -11.603 9.734 5.929 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.547 11.126 5.791 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.012 13.519 6.626 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -11.366 13.222 6.057 1.00 0.00 H new ATOM 684 N ARG A 47 -10.203 12.399 3.103 1.00 0.00 N ATOM 685 CA ARG A 47 -9.919 13.615 2.369 1.00 0.00 C ATOM 686 C ARG A 47 -10.590 13.584 0.999 1.00 0.00 C ATOM 687 O ARG A 47 -10.892 14.631 0.421 1.00 0.00 O ATOM 688 CB ARG A 47 -8.401 13.783 2.246 1.00 0.00 C ATOM 689 CG ARG A 47 -7.887 14.020 0.831 1.00 0.00 C ATOM 690 CD ARG A 47 -6.372 14.153 0.828 1.00 0.00 C ATOM 691 NE ARG A 47 -5.825 14.358 -0.514 1.00 0.00 N ATOM 692 CZ ARG A 47 -4.539 14.163 -0.823 1.00 0.00 C ATOM 693 NH1 ARG A 47 -3.684 13.764 0.108 1.00 0.00 N1+ ATOM 694 NH2 ARG A 47 -4.102 14.381 -2.054 1.00 0.00 N ATOM 0 H ARG A 47 -9.371 11.914 3.440 1.00 0.00 H new ATOM 0 HA ARG A 47 -10.324 14.472 2.907 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -8.092 14.620 2.872 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -7.919 12.891 2.646 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.186 13.194 0.186 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.338 14.924 0.421 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.084 14.989 1.465 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.932 13.255 1.262 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.458 14.666 -1.252 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.007 13.605 1.062 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.703 13.616 -0.130 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.748 14.700 -2.776 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.119 14.230 -2.281 1.00 0.00 H new ATOM 708 N PHE A 48 -10.836 12.387 0.481 1.00 0.00 N ATOM 709 CA PHE A 48 -11.566 12.277 -0.758 1.00 0.00 C ATOM 710 C PHE A 48 -13.029 11.927 -0.502 1.00 0.00 C ATOM 711 O PHE A 48 -13.907 12.731 -0.794 1.00 0.00 O ATOM 712 CB PHE A 48 -10.933 11.238 -1.682 1.00 0.00 C ATOM 713 CG PHE A 48 -9.553 11.595 -2.160 1.00 0.00 C ATOM 714 CD1 PHE A 48 -9.379 12.455 -3.234 1.00 0.00 C ATOM 715 CD2 PHE A 48 -8.431 11.064 -1.544 1.00 0.00 C ATOM 716 CE1 PHE A 48 -8.112 12.781 -3.680 1.00 0.00 C ATOM 717 CE2 PHE A 48 -7.162 11.386 -1.988 1.00 0.00 C ATOM 718 CZ PHE A 48 -7.002 12.245 -3.057 1.00 0.00 C ATOM 0 H PHE A 48 -10.545 11.501 0.895 1.00 0.00 H new ATOM 0 HA PHE A 48 -11.521 13.249 -1.250 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.888 10.283 -1.159 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -11.580 11.097 -2.548 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.243 12.875 -3.727 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.549 10.391 -0.708 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -7.990 13.455 -4.515 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.296 10.966 -1.499 1.00 0.00 H new ATOM 0 HZ PHE A 48 -6.011 12.497 -3.405 1.00 0.00 H new ATOM 728 N LYS A 49 -13.268 10.771 0.117 1.00 0.00 N ATOM 729 CA LYS A 49 -14.619 10.280 0.425 1.00 0.00 C ATOM 730 C LYS A 49 -14.523 9.059 1.328 1.00 0.00 C ATOM 731 O LYS A 49 -14.085 8.001 0.887 1.00 0.00 O ATOM 732 CB LYS A 49 -15.403 9.866 -0.842 1.00 0.00 C ATOM 733 CG LYS A 49 -15.962 11.014 -1.676 1.00 0.00 C ATOM 734 CD LYS A 49 -16.936 11.873 -0.880 1.00 0.00 C ATOM 735 CE LYS A 49 -18.247 11.151 -0.606 1.00 0.00 C ATOM 736 NZ LYS A 49 -19.000 10.865 -1.856 1.00 0.00 N1+ ATOM 0 H LYS A 49 -12.526 10.141 0.423 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.148 11.100 0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -14.747 9.268 -1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.230 9.223 -0.542 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -15.141 11.634 -2.036 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.467 10.612 -2.555 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -16.476 12.159 0.066 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -17.138 12.793 -1.428 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.043 10.216 -0.084 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.863 11.758 0.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -19.985 10.627 -1.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -18.983 11.704 -2.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -18.559 10.064 -2.351 1.00 0.00 H new ATOM 750 N ARG A 50 -14.924 9.186 2.581 1.00 0.00 N ATOM 751 CA ARG A 50 -14.903 8.038 3.473 1.00 0.00 C ATOM 752 C ARG A 50 -16.272 7.803 4.090 1.00 0.00 C ATOM 753 O ARG A 50 -16.759 8.606 4.887 1.00 0.00 O ATOM 754 CB ARG A 50 -13.849 8.198 4.566 1.00 0.00 C ATOM 755 CG ARG A 50 -13.583 6.911 5.334 1.00 0.00 C ATOM 756 CD ARG A 50 -12.421 7.052 6.305 1.00 0.00 C ATOM 757 NE ARG A 50 -12.724 7.957 7.412 1.00 0.00 N ATOM 758 CZ ARG A 50 -11.949 8.100 8.485 1.00 0.00 C ATOM 759 NH1 ARG A 50 -10.831 7.389 8.605 1.00 0.00 N1+ ATOM 760 NH2 ARG A 50 -12.299 8.949 9.441 1.00 0.00 N ATOM 0 H ARG A 50 -15.262 10.053 2.998 1.00 0.00 H new ATOM 0 HA ARG A 50 -14.638 7.167 2.874 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.918 8.545 4.117 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.173 8.970 5.264 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.480 6.625 5.883 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.370 6.107 4.630 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -12.163 6.071 6.703 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -11.546 7.419 5.769 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.579 8.511 7.359 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -10.564 6.731 7.873 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -10.241 7.502 9.429 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -13.159 9.490 9.353 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -11.708 9.061 10.265 1.00 0.00 H new ATOM 774 N TYR A 51 -16.887 6.703 3.696 1.00 0.00 N ATOM 775 CA TYR A 51 -18.179 6.306 4.220 1.00 0.00 C ATOM 776 C TYR A 51 -17.989 5.583 5.550 1.00 0.00 C ATOM 777 O TYR A 51 -17.062 4.778 5.690 1.00 0.00 O ATOM 778 CB TYR A 51 -18.870 5.384 3.214 1.00 0.00 C ATOM 779 CG TYR A 51 -20.350 5.648 3.062 1.00 0.00 C ATOM 780 CD1 TYR A 51 -20.807 6.659 2.227 1.00 0.00 C ATOM 781 CD2 TYR A 51 -21.287 4.889 3.751 1.00 0.00 C ATOM 782 CE1 TYR A 51 -22.157 6.908 2.082 1.00 0.00 C ATOM 783 CE2 TYR A 51 -22.640 5.131 3.610 1.00 0.00 C ATOM 784 CZ TYR A 51 -23.070 6.141 2.774 1.00 0.00 C ATOM 785 OH TYR A 51 -24.418 6.388 2.631 1.00 0.00 O ATOM 0 H TYR A 51 -16.504 6.060 3.003 1.00 0.00 H new ATOM 0 HA TYR A 51 -18.799 7.188 4.382 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -18.389 5.496 2.242 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -18.725 4.349 3.524 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -20.094 7.260 1.682 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -20.953 4.098 4.406 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -22.496 7.699 1.430 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -23.358 4.532 4.152 1.00 0.00 H new ATOM 0 HH TYR A 51 -24.926 5.759 3.185 1.00 0.00 H new ATOM 795 N PRO A 52 -18.842 5.873 6.548 1.00 0.00 N ATOM 796 CA PRO A 52 -18.763 5.233 7.866 1.00 0.00 C ATOM 797 C PRO A 52 -18.901 3.717 7.764 1.00 0.00 C ATOM 798 O PRO A 52 -19.833 3.211 7.139 1.00 0.00 O ATOM 799 CB PRO A 52 -19.945 5.832 8.641 1.00 0.00 C ATOM 800 CG PRO A 52 -20.837 6.429 7.605 1.00 0.00 C ATOM 801 CD PRO A 52 -19.942 6.844 6.475 1.00 0.00 C ATOM 0 HA PRO A 52 -17.802 5.409 8.350 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -20.467 5.066 9.215 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -19.607 6.587 9.351 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -21.581 5.707 7.268 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -21.381 7.284 8.005 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -20.457 6.799 5.515 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -19.586 7.867 6.598 1.00 0.00 H new ATOM 809 N LYS A 53 -17.985 3.005 8.419 1.00 0.00 N ATOM 810 CA LYS A 53 -17.862 1.552 8.280 1.00 0.00 C ATOM 811 C LYS A 53 -19.131 0.815 8.684 1.00 0.00 C ATOM 812 O LYS A 53 -19.359 -0.307 8.238 1.00 0.00 O ATOM 813 CB LYS A 53 -16.686 1.028 9.111 1.00 0.00 C ATOM 814 CG LYS A 53 -15.312 1.469 8.620 1.00 0.00 C ATOM 815 CD LYS A 53 -15.027 0.985 7.202 1.00 0.00 C ATOM 816 CE LYS A 53 -15.539 1.963 6.153 1.00 0.00 C ATOM 817 NZ LYS A 53 -14.743 3.220 6.132 1.00 0.00 N1+ ATOM 0 H LYS A 53 -17.307 3.417 9.060 1.00 0.00 H new ATOM 0 HA LYS A 53 -17.686 1.358 7.222 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -16.812 1.359 10.142 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -16.721 -0.061 9.119 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.248 2.557 8.651 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.546 1.086 9.294 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.953 0.846 7.075 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.495 0.012 7.050 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.502 1.493 5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -16.584 2.198 6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.384 4.035 6.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.193 3.297 7.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.095 3.207 5.319 1.00 0.00 H new ATOM 831 N ASP A 54 -19.948 1.447 9.516 1.00 0.00 N ATOM 832 CA ASP A 54 -21.197 0.846 9.977 1.00 0.00 C ATOM 833 C ASP A 54 -22.058 0.392 8.799 1.00 0.00 C ATOM 834 O ASP A 54 -22.545 -0.737 8.778 1.00 0.00 O ATOM 835 CB ASP A 54 -21.968 1.846 10.842 1.00 0.00 C ATOM 836 CG ASP A 54 -23.317 1.318 11.284 1.00 0.00 C ATOM 837 OD1 ASP A 54 -23.353 0.275 11.972 1.00 0.00 O ATOM 838 OD2 ASP A 54 -24.341 1.952 10.956 1.00 0.00 O1- ATOM 0 H ASP A 54 -19.769 2.380 9.888 1.00 0.00 H new ATOM 0 HA ASP A 54 -20.954 -0.033 10.574 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -21.373 2.094 11.721 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -22.110 2.771 10.282 1.00 0.00 H new ATOM 843 N ALA A 55 -22.200 1.260 7.801 1.00 0.00 N ATOM 844 CA ALA A 55 -23.016 0.964 6.629 1.00 0.00 C ATOM 845 C ALA A 55 -22.385 -0.131 5.770 1.00 0.00 C ATOM 846 O ALA A 55 -23.083 -0.892 5.098 1.00 0.00 O ATOM 847 CB ALA A 55 -23.234 2.225 5.806 1.00 0.00 C ATOM 0 H ALA A 55 -21.757 2.179 7.782 1.00 0.00 H new ATOM 0 HA ALA A 55 -23.981 0.597 6.978 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -23.845 1.990 4.934 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -23.743 2.973 6.414 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -22.271 2.617 5.479 1.00 0.00 H new ATOM 853 N LEU A 56 -21.064 -0.207 5.793 1.00 0.00 N ATOM 854 CA LEU A 56 -20.346 -1.193 4.999 1.00 0.00 C ATOM 855 C LEU A 56 -20.466 -2.574 5.634 1.00 0.00 C ATOM 856 O LEU A 56 -20.718 -3.562 4.956 1.00 0.00 O ATOM 857 CB LEU A 56 -18.855 -0.825 4.878 1.00 0.00 C ATOM 858 CG LEU A 56 -18.504 0.424 4.050 1.00 0.00 C ATOM 859 CD1 LEU A 56 -19.064 0.328 2.649 1.00 0.00 C ATOM 860 CD2 LEU A 56 -18.989 1.697 4.716 1.00 0.00 C ATOM 0 H LEU A 56 -20.467 0.402 6.352 1.00 0.00 H new ATOM 0 HA LEU A 56 -20.792 -1.205 4.004 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -18.459 -0.686 5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -18.331 -1.676 4.444 1.00 0.00 H new ATOM 0 HG LEU A 56 -17.416 0.466 3.990 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -18.799 1.225 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -18.648 -0.547 2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -20.149 0.237 2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -18.721 2.555 4.099 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -20.072 1.657 4.832 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -18.523 1.795 5.696 1.00 0.00 H new ATOM 872 N ARG A 57 -20.338 -2.631 6.949 1.00 0.00 N ATOM 873 CA ARG A 57 -20.313 -3.906 7.658 1.00 0.00 C ATOM 874 C ARG A 57 -21.676 -4.592 7.664 1.00 0.00 C ATOM 875 O ARG A 57 -21.785 -5.766 8.020 1.00 0.00 O ATOM 876 CB ARG A 57 -19.813 -3.711 9.087 1.00 0.00 C ATOM 877 CG ARG A 57 -18.382 -3.214 9.149 1.00 0.00 C ATOM 878 CD ARG A 57 -17.852 -3.210 10.573 1.00 0.00 C ATOM 879 NE ARG A 57 -16.430 -2.873 10.628 1.00 0.00 N ATOM 880 CZ ARG A 57 -15.906 -1.984 11.470 1.00 0.00 C ATOM 881 NH1 ARG A 57 -16.693 -1.291 12.288 1.00 0.00 N1+ ATOM 882 NH2 ARG A 57 -14.593 -1.774 11.476 1.00 0.00 N ATOM 0 H ARG A 57 -20.250 -1.812 7.550 1.00 0.00 H new ATOM 0 HA ARG A 57 -19.624 -4.558 7.121 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -20.462 -3.001 9.600 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -19.888 -4.656 9.625 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -17.749 -3.847 8.527 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -18.328 -2.206 8.737 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -18.418 -2.493 11.168 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -18.010 -4.191 11.021 1.00 0.00 H new ATOM 0 HE ARG A 57 -15.800 -3.348 9.981 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -17.702 -1.439 12.272 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.288 -0.611 12.931 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -13.991 -2.293 10.837 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.188 -1.094 12.119 1.00 0.00 H new ATOM 896 N LEU A 58 -22.712 -3.868 7.271 1.00 0.00 N ATOM 897 CA LEU A 58 -24.037 -4.455 7.166 1.00 0.00 C ATOM 898 C LEU A 58 -24.462 -4.586 5.707 1.00 0.00 C ATOM 899 O LEU A 58 -25.602 -4.950 5.417 1.00 0.00 O ATOM 900 CB LEU A 58 -25.063 -3.642 7.979 1.00 0.00 C ATOM 901 CG LEU A 58 -25.154 -2.139 7.676 1.00 0.00 C ATOM 902 CD1 LEU A 58 -25.972 -1.877 6.420 1.00 0.00 C ATOM 903 CD2 LEU A 58 -25.751 -1.396 8.862 1.00 0.00 C ATOM 0 H LEU A 58 -22.662 -2.880 7.021 1.00 0.00 H new ATOM 0 HA LEU A 58 -23.998 -5.459 7.589 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -26.048 -4.081 7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -24.829 -3.762 9.037 1.00 0.00 H new ATOM 0 HG LEU A 58 -24.144 -1.770 7.500 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -26.018 -0.804 6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -25.504 -2.374 5.570 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -26.982 -2.265 6.556 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -25.809 -0.332 8.633 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -26.751 -1.779 9.065 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -25.121 -1.544 9.739 1.00 0.00 H new ATOM 915 N LYS A 59 -23.540 -4.313 4.787 1.00 0.00 N ATOM 916 CA LYS A 59 -23.864 -4.356 3.365 1.00 0.00 C ATOM 917 C LYS A 59 -22.631 -4.544 2.490 1.00 0.00 C ATOM 918 O LYS A 59 -22.454 -5.601 1.882 1.00 0.00 O ATOM 919 CB LYS A 59 -24.636 -3.085 2.971 1.00 0.00 C ATOM 920 CG LYS A 59 -24.614 -2.774 1.483 1.00 0.00 C ATOM 921 CD LYS A 59 -25.790 -1.902 1.072 1.00 0.00 C ATOM 922 CE LYS A 59 -25.736 -0.522 1.707 1.00 0.00 C ATOM 923 NZ LYS A 59 -24.679 0.341 1.111 1.00 0.00 N1+ ATOM 0 H LYS A 59 -22.574 -4.063 4.998 1.00 0.00 H new ATOM 0 HA LYS A 59 -24.495 -5.228 3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -25.672 -3.189 3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -24.217 -2.237 3.513 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -23.681 -2.269 1.231 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -24.636 -3.705 0.917 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -25.802 -1.800 -0.013 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -26.720 -2.394 1.356 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -26.705 -0.035 1.593 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -25.555 -0.625 2.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -25.001 1.330 1.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -23.809 0.264 1.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -24.488 0.033 0.136 1.00 0.00 H new ATOM 937 N ARG A 60 -21.780 -3.539 2.407 1.00 0.00 N ATOM 938 CA ARG A 60 -20.615 -3.643 1.551 1.00 0.00 C ATOM 939 C ARG A 60 -19.455 -4.215 2.324 1.00 0.00 C ATOM 940 O ARG A 60 -18.590 -3.503 2.833 1.00 0.00 O ATOM 941 CB ARG A 60 -20.269 -2.302 0.926 1.00 0.00 C ATOM 942 CG ARG A 60 -21.359 -1.809 0.005 1.00 0.00 C ATOM 943 CD ARG A 60 -21.716 -2.856 -1.038 1.00 0.00 C ATOM 944 NE ARG A 60 -22.882 -2.463 -1.826 1.00 0.00 N ATOM 945 CZ ARG A 60 -23.799 -3.319 -2.281 1.00 0.00 C ATOM 946 NH1 ARG A 60 -23.703 -4.615 -2.003 1.00 0.00 N1+ ATOM 947 NH2 ARG A 60 -24.812 -2.878 -3.011 1.00 0.00 N ATOM 0 H ARG A 60 -21.870 -2.657 2.912 1.00 0.00 H new ATOM 0 HA ARG A 60 -20.845 -4.324 0.731 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -20.100 -1.568 1.714 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -19.337 -2.392 0.369 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -22.245 -1.557 0.588 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -21.033 -0.895 -0.491 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -20.865 -3.013 -1.701 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -21.915 -3.807 -0.544 1.00 0.00 H new ATOM 0 HE ARG A 60 -23.002 -1.473 -2.042 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -22.926 -4.959 -1.439 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -24.407 -5.265 -2.353 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -24.891 -1.884 -3.226 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -25.513 -3.532 -3.359 1.00 0.00 H new ATOM 961 N GLN A 61 -19.475 -5.522 2.400 1.00 0.00 N ATOM 962 CA GLN A 61 -18.480 -6.286 3.101 1.00 0.00 C ATOM 963 C GLN A 61 -17.570 -6.937 2.078 1.00 0.00 C ATOM 964 O GLN A 61 -17.949 -7.072 0.921 1.00 0.00 O ATOM 965 CB GLN A 61 -19.187 -7.349 3.929 1.00 0.00 C ATOM 966 CG GLN A 61 -20.271 -6.798 4.838 1.00 0.00 C ATOM 967 CD GLN A 61 -21.377 -7.802 5.097 1.00 0.00 C ATOM 968 OE1 GLN A 61 -21.159 -9.012 5.072 1.00 0.00 O ATOM 969 NE2 GLN A 61 -22.577 -7.307 5.337 1.00 0.00 N ATOM 0 H GLN A 61 -20.200 -6.094 1.966 1.00 0.00 H new ATOM 0 HA GLN A 61 -17.887 -5.651 3.759 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -19.629 -8.085 3.257 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -18.449 -7.874 4.536 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -19.827 -6.498 5.787 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -20.697 -5.901 4.388 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -22.719 -6.297 5.350 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -23.362 -7.935 5.510 1.00 0.00 H new ATOM 978 N GLY A 62 -16.380 -7.321 2.480 1.00 0.00 N ATOM 979 CA GLY A 62 -15.496 -7.995 1.561 1.00 0.00 C ATOM 980 C GLY A 62 -14.044 -7.782 1.892 1.00 0.00 C ATOM 981 O GLY A 62 -13.612 -6.656 2.127 1.00 0.00 O ATOM 0 H GLY A 62 -16.008 -7.181 3.419 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -15.714 -9.063 1.570 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -15.690 -7.639 0.549 1.00 0.00 H new ATOM 985 N VAL A 63 -13.290 -8.863 1.921 1.00 0.00 N ATOM 986 CA VAL A 63 -11.862 -8.771 2.128 1.00 0.00 C ATOM 987 C VAL A 63 -11.152 -8.993 0.802 1.00 0.00 C ATOM 988 O VAL A 63 -11.344 -10.018 0.145 1.00 0.00 O ATOM 989 CB VAL A 63 -11.365 -9.804 3.162 1.00 0.00 C ATOM 990 CG1 VAL A 63 -9.862 -9.667 3.384 1.00 0.00 C ATOM 991 CG2 VAL A 63 -12.121 -9.648 4.474 1.00 0.00 C ATOM 0 H VAL A 63 -13.643 -9.813 1.804 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.638 -7.778 2.518 1.00 0.00 H new ATOM 0 HB VAL A 63 -11.558 -10.803 2.771 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.534 -10.405 4.116 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.339 -9.833 2.442 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -9.638 -8.666 3.752 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -11.759 -10.384 5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -11.960 -8.645 4.869 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -13.186 -9.804 4.301 1.00 0.00 H new ATOM 1001 N GLY A 64 -10.347 -8.025 0.409 1.00 0.00 N ATOM 1002 CA GLY A 64 -9.624 -8.124 -0.833 1.00 0.00 C ATOM 1003 C GLY A 64 -8.319 -7.365 -0.794 1.00 0.00 C ATOM 1004 O GLY A 64 -8.085 -6.566 0.110 1.00 0.00 O ATOM 0 H GLY A 64 -10.181 -7.166 0.933 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -9.426 -9.173 -1.054 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.243 -7.739 -1.644 1.00 0.00 H new ATOM 1008 N GLN A 65 -7.467 -7.618 -1.765 1.00 0.00 N ATOM 1009 CA GLN A 65 -6.201 -6.923 -1.859 1.00 0.00 C ATOM 1010 C GLN A 65 -6.296 -5.860 -2.937 1.00 0.00 C ATOM 1011 O GLN A 65 -6.774 -6.122 -4.040 1.00 0.00 O ATOM 1012 CB GLN A 65 -5.076 -7.910 -2.170 1.00 0.00 C ATOM 1013 CG GLN A 65 -4.837 -8.923 -1.058 1.00 0.00 C ATOM 1014 CD GLN A 65 -3.678 -9.861 -1.343 1.00 0.00 C ATOM 1015 OE1 GLN A 65 -3.854 -10.926 -1.934 1.00 0.00 O ATOM 1016 NE2 GLN A 65 -2.488 -9.479 -0.911 1.00 0.00 N ATOM 0 H GLN A 65 -7.629 -8.303 -2.503 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.975 -6.446 -0.906 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -5.313 -8.442 -3.091 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.155 -7.355 -2.350 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -4.645 -8.391 -0.126 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.743 -9.510 -0.909 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.384 -8.588 -0.425 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.674 -10.075 -1.064 1.00 0.00 H new ATOM 1025 N VAL A 66 -5.869 -4.659 -2.608 1.00 0.00 N ATOM 1026 CA VAL A 66 -5.990 -3.527 -3.507 1.00 0.00 C ATOM 1027 C VAL A 66 -4.632 -2.860 -3.694 1.00 0.00 C ATOM 1028 O VAL A 66 -4.035 -2.376 -2.740 1.00 0.00 O ATOM 1029 CB VAL A 66 -7.040 -2.532 -2.953 1.00 0.00 C ATOM 1030 CG1 VAL A 66 -6.933 -1.160 -3.587 1.00 0.00 C ATOM 1031 CG2 VAL A 66 -8.442 -3.083 -3.156 1.00 0.00 C ATOM 0 H VAL A 66 -5.430 -4.439 -1.714 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.329 -3.870 -4.485 1.00 0.00 H new ATOM 0 HB VAL A 66 -6.836 -2.416 -1.888 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.692 -0.503 -3.162 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.944 -0.745 -3.392 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.086 -1.243 -4.663 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -9.172 -2.375 -2.763 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -8.622 -3.236 -4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.539 -4.033 -2.631 1.00 0.00 H new ATOM 1041 N ARG A 67 -4.134 -2.873 -4.924 1.00 0.00 N ATOM 1042 CA ARG A 67 -2.809 -2.342 -5.226 1.00 0.00 C ATOM 1043 C ARG A 67 -2.920 -1.046 -6.028 1.00 0.00 C ATOM 1044 O ARG A 67 -3.761 -0.944 -6.918 1.00 0.00 O ATOM 1045 CB ARG A 67 -1.996 -3.375 -6.020 1.00 0.00 C ATOM 1046 CG ARG A 67 -0.666 -2.841 -6.523 1.00 0.00 C ATOM 1047 CD ARG A 67 -0.039 -3.763 -7.555 1.00 0.00 C ATOM 1048 NE ARG A 67 0.650 -4.903 -6.955 1.00 0.00 N ATOM 1049 CZ ARG A 67 1.835 -5.349 -7.382 1.00 0.00 C ATOM 1050 NH1 ARG A 67 2.496 -4.693 -8.332 1.00 0.00 N1+ ATOM 1051 NH2 ARG A 67 2.377 -6.432 -6.843 1.00 0.00 N ATOM 0 H ARG A 67 -4.630 -3.247 -5.733 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.301 -2.130 -4.286 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -1.814 -4.245 -5.389 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -2.587 -3.715 -6.870 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.813 -1.854 -6.960 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.017 -2.719 -5.683 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.815 -4.127 -8.228 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.668 -3.195 -8.160 1.00 0.00 H new ATOM 0 HE ARG A 67 0.205 -5.382 -6.172 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.099 -3.846 -8.738 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.400 -5.037 -8.655 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.889 -6.930 -6.098 1.00 0.00 H new ATOM 0 HH22 ARG A 67 3.282 -6.768 -7.173 1.00 0.00 H new ATOM 1065 N PHE A 68 -2.080 -0.060 -5.717 1.00 0.00 N ATOM 1066 CA PHE A 68 -2.089 1.195 -6.455 1.00 0.00 C ATOM 1067 C PHE A 68 -0.778 1.971 -6.311 1.00 0.00 C ATOM 1068 O PHE A 68 -0.036 1.795 -5.346 1.00 0.00 O ATOM 1069 CB PHE A 68 -3.284 2.070 -6.043 1.00 0.00 C ATOM 1070 CG PHE A 68 -3.568 2.163 -4.566 1.00 0.00 C ATOM 1071 CD1 PHE A 68 -2.783 2.943 -3.735 1.00 0.00 C ATOM 1072 CD2 PHE A 68 -4.653 1.496 -4.021 1.00 0.00 C ATOM 1073 CE1 PHE A 68 -3.072 3.049 -2.386 1.00 0.00 C ATOM 1074 CE2 PHE A 68 -4.949 1.604 -2.676 1.00 0.00 C ATOM 1075 CZ PHE A 68 -4.157 2.382 -1.858 1.00 0.00 C ATOM 0 H PHE A 68 -1.392 -0.108 -4.966 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.193 0.935 -7.508 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.117 3.078 -6.423 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.176 1.686 -6.539 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.936 3.474 -4.144 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.276 0.883 -4.656 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.447 3.655 -1.746 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.799 1.080 -2.266 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.386 2.469 -0.806 1.00 0.00 H new ATOM 1085 N THR A 69 -0.501 2.803 -7.315 1.00 0.00 N ATOM 1086 CA THR A 69 0.656 3.698 -7.319 1.00 0.00 C ATOM 1087 C THR A 69 0.228 5.074 -6.852 1.00 0.00 C ATOM 1088 O THR A 69 -0.853 5.550 -7.213 1.00 0.00 O ATOM 1089 CB THR A 69 1.271 3.821 -8.726 1.00 0.00 C ATOM 1090 OG1 THR A 69 1.522 2.522 -9.266 1.00 0.00 O ATOM 1091 CG2 THR A 69 2.568 4.612 -8.688 1.00 0.00 C ATOM 0 H THR A 69 -1.077 2.875 -8.154 1.00 0.00 H new ATOM 0 HA THR A 69 1.406 3.279 -6.649 1.00 0.00 H new ATOM 0 HB THR A 69 0.559 4.350 -9.359 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.911 2.609 -10.161 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.980 4.683 -9.694 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.372 5.613 -8.304 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.283 4.108 -8.038 1.00 0.00 H new ATOM 1099 N LEU A 70 1.072 5.716 -6.070 1.00 0.00 N ATOM 1100 CA LEU A 70 0.687 6.939 -5.401 1.00 0.00 C ATOM 1101 C LEU A 70 1.620 8.091 -5.708 1.00 0.00 C ATOM 1102 O LEU A 70 2.841 7.933 -5.775 1.00 0.00 O ATOM 1103 CB LEU A 70 0.652 6.688 -3.909 1.00 0.00 C ATOM 1104 CG LEU A 70 -0.353 5.631 -3.486 1.00 0.00 C ATOM 1105 CD1 LEU A 70 -0.119 5.230 -2.039 1.00 0.00 C ATOM 1106 CD2 LEU A 70 -1.763 6.158 -3.701 1.00 0.00 C ATOM 0 H LEU A 70 2.027 5.411 -5.883 1.00 0.00 H new ATOM 0 HA LEU A 70 -0.298 7.226 -5.768 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.645 6.384 -3.578 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.418 7.622 -3.399 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.225 4.737 -4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.847 4.472 -1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.888 4.827 -1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.230 6.104 -1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.485 5.400 -3.398 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.910 7.058 -3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -1.906 6.394 -4.755 1.00 0.00 H new ATOM 1118 N ASP A 71 1.010 9.245 -5.914 1.00 0.00 N ATOM 1119 CA ASP A 71 1.727 10.499 -6.070 1.00 0.00 C ATOM 1120 C ASP A 71 2.274 10.941 -4.720 1.00 0.00 C ATOM 1121 O ASP A 71 1.770 10.537 -3.673 1.00 0.00 O ATOM 1122 CB ASP A 71 0.778 11.562 -6.640 1.00 0.00 C ATOM 1123 CG ASP A 71 1.409 12.932 -6.778 1.00 0.00 C ATOM 1124 OD1 ASP A 71 1.973 13.227 -7.847 1.00 0.00 O ATOM 1125 OD2 ASP A 71 1.318 13.729 -5.823 1.00 0.00 O1- ATOM 0 H ASP A 71 -0.004 9.339 -5.978 1.00 0.00 H new ATOM 0 HA ASP A 71 2.560 10.366 -6.760 1.00 0.00 H new ATOM 0 HB2 ASP A 71 0.425 11.234 -7.618 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -0.097 11.638 -5.995 1.00 0.00 H new ATOM 1130 N ARG A 72 3.298 11.773 -4.765 1.00 0.00 N ATOM 1131 CA ARG A 72 3.975 12.270 -3.572 1.00 0.00 C ATOM 1132 C ARG A 72 3.010 12.994 -2.628 1.00 0.00 C ATOM 1133 O ARG A 72 3.232 13.037 -1.418 1.00 0.00 O ATOM 1134 CB ARG A 72 5.101 13.207 -4.001 1.00 0.00 C ATOM 1135 CG ARG A 72 5.928 13.757 -2.855 1.00 0.00 C ATOM 1136 CD ARG A 72 7.028 14.665 -3.370 1.00 0.00 C ATOM 1137 NE ARG A 72 7.867 15.177 -2.294 1.00 0.00 N ATOM 1138 CZ ARG A 72 8.688 16.214 -2.423 1.00 0.00 C ATOM 1139 NH1 ARG A 72 8.761 16.867 -3.577 1.00 0.00 N1+ ATOM 1140 NH2 ARG A 72 9.423 16.602 -1.395 1.00 0.00 N ATOM 0 H ARG A 72 3.690 12.129 -5.637 1.00 0.00 H new ATOM 0 HA ARG A 72 4.381 11.421 -3.022 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.760 12.674 -4.686 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.672 14.041 -4.556 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.285 14.310 -2.170 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.365 12.934 -2.289 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.646 14.117 -4.081 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.584 15.500 -3.911 1.00 0.00 H new ATOM 0 HE ARG A 72 7.821 14.712 -1.388 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.186 16.573 -4.367 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.392 17.663 -3.674 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.359 16.106 -0.506 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.054 17.398 -1.491 1.00 0.00 H new ATOM 1154 N GLN A 73 1.944 13.560 -3.183 1.00 0.00 N ATOM 1155 CA GLN A 73 0.938 14.246 -2.377 1.00 0.00 C ATOM 1156 C GLN A 73 -0.278 13.355 -2.153 1.00 0.00 C ATOM 1157 O GLN A 73 -1.348 13.826 -1.759 1.00 0.00 O ATOM 1158 CB GLN A 73 0.512 15.550 -3.046 1.00 0.00 C ATOM 1159 CG GLN A 73 1.661 16.507 -3.298 1.00 0.00 C ATOM 1160 CD GLN A 73 1.190 17.865 -3.767 1.00 0.00 C ATOM 1161 OE1 GLN A 73 1.871 18.544 -4.533 1.00 0.00 O ATOM 1162 NE2 GLN A 73 0.017 18.272 -3.305 1.00 0.00 N ATOM 0 H GLN A 73 1.753 13.558 -4.185 1.00 0.00 H new ATOM 0 HA GLN A 73 1.383 14.476 -1.409 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.027 15.320 -3.995 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -0.231 16.044 -2.420 1.00 0.00 H new ATOM 0 HG2 GLN A 73 2.241 16.623 -2.382 1.00 0.00 H new ATOM 0 HG3 GLN A 73 2.329 16.079 -4.046 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.516 17.677 -2.671 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -0.353 19.181 -3.583 1.00 0.00 H new ATOM 1171 N GLY A 74 -0.114 12.070 -2.420 1.00 0.00 N ATOM 1172 CA GLY A 74 -1.173 11.116 -2.178 1.00 0.00 C ATOM 1173 C GLY A 74 -2.272 11.176 -3.212 1.00 0.00 C ATOM 1174 O GLY A 74 -3.453 11.198 -2.874 1.00 0.00 O ATOM 0 H GLY A 74 0.742 11.668 -2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.752 10.111 -2.162 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.600 11.298 -1.192 1.00 0.00 H new ATOM 1178 N HIS A 75 -1.878 11.210 -4.468 1.00 0.00 N ATOM 1179 CA HIS A 75 -2.821 11.193 -5.572 1.00 0.00 C ATOM 1180 C HIS A 75 -2.720 9.863 -6.306 1.00 0.00 C ATOM 1181 O HIS A 75 -1.636 9.478 -6.742 1.00 0.00 O ATOM 1182 CB HIS A 75 -2.537 12.374 -6.518 1.00 0.00 C ATOM 1183 CG HIS A 75 -3.183 12.268 -7.869 1.00 0.00 C ATOM 1184 ND1 HIS A 75 -4.487 12.635 -8.127 1.00 0.00 N ATOM 1185 CD2 HIS A 75 -2.681 11.830 -9.048 1.00 0.00 C ATOM 1186 CE1 HIS A 75 -4.755 12.423 -9.403 1.00 0.00 C ATOM 1187 NE2 HIS A 75 -3.677 11.937 -9.981 1.00 0.00 N ATOM 0 H HIS A 75 -0.900 11.250 -4.754 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.837 11.300 -5.192 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.875 13.293 -6.040 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.459 12.463 -6.652 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -1.680 11.464 -9.220 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -5.700 12.616 -9.890 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -3.597 11.681 -10.965 1.00 0.00 H new ATOM 1196 N VAL A 76 -3.837 9.148 -6.387 1.00 0.00 N ATOM 1197 CA VAL A 76 -3.899 7.896 -7.130 1.00 0.00 C ATOM 1198 C VAL A 76 -3.337 8.056 -8.549 1.00 0.00 C ATOM 1199 O VAL A 76 -3.843 8.835 -9.359 1.00 0.00 O ATOM 1200 CB VAL A 76 -5.348 7.348 -7.186 1.00 0.00 C ATOM 1201 CG1 VAL A 76 -6.301 8.334 -7.844 1.00 0.00 C ATOM 1202 CG2 VAL A 76 -5.391 6.003 -7.894 1.00 0.00 C ATOM 0 H VAL A 76 -4.716 9.417 -5.944 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.278 7.176 -6.598 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.682 7.208 -6.158 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.306 7.911 -7.863 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.310 9.265 -7.277 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.972 8.533 -8.864 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.418 5.639 -7.921 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.019 6.116 -8.912 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.767 5.289 -7.357 1.00 0.00 H new ATOM 1212 N LEU A 77 -2.253 7.344 -8.820 1.00 0.00 N ATOM 1213 CA LEU A 77 -1.642 7.347 -10.143 1.00 0.00 C ATOM 1214 C LEU A 77 -2.049 6.090 -10.893 1.00 0.00 C ATOM 1215 O LEU A 77 -2.416 6.131 -12.066 1.00 0.00 O ATOM 1216 CB LEU A 77 -0.115 7.406 -10.033 1.00 0.00 C ATOM 1217 CG LEU A 77 0.441 8.648 -9.339 1.00 0.00 C ATOM 1218 CD1 LEU A 77 1.925 8.475 -9.053 1.00 0.00 C ATOM 1219 CD2 LEU A 77 0.207 9.884 -10.193 1.00 0.00 C ATOM 0 H LEU A 77 -1.776 6.754 -8.138 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.987 8.228 -10.684 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.228 6.524 -9.493 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.308 7.350 -11.036 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.083 8.778 -8.392 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.307 9.368 -8.558 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.072 7.611 -8.406 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.461 8.322 -9.990 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.609 10.760 -9.684 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.706 9.762 -11.154 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.863 10.018 -10.354 1.00 0.00 H new ATOM 1231 N ALA A 78 -1.991 4.974 -10.189 1.00 0.00 N ATOM 1232 CA ALA A 78 -2.358 3.684 -10.739 1.00 0.00 C ATOM 1233 C ALA A 78 -3.250 2.966 -9.756 1.00 0.00 C ATOM 1234 O ALA A 78 -3.287 3.340 -8.592 1.00 0.00 O ATOM 1235 CB ALA A 78 -1.117 2.852 -11.011 1.00 0.00 C ATOM 0 H ALA A 78 -1.687 4.938 -9.216 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.888 3.832 -11.680 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.410 1.886 -11.424 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -0.479 3.373 -11.724 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.571 2.698 -10.080 1.00 0.00 H new ATOM 1241 N VAL A 79 -3.972 1.960 -10.217 1.00 0.00 N ATOM 1242 CA VAL A 79 -4.785 1.143 -9.347 1.00 0.00 C ATOM 1243 C VAL A 79 -5.094 -0.184 -10.033 1.00 0.00 C ATOM 1244 O VAL A 79 -5.714 -0.227 -11.097 1.00 0.00 O ATOM 1245 CB VAL A 79 -6.084 1.865 -8.904 1.00 0.00 C ATOM 1246 CG1 VAL A 79 -6.925 2.303 -10.095 1.00 0.00 C ATOM 1247 CG2 VAL A 79 -6.888 0.981 -7.964 1.00 0.00 C ATOM 0 H VAL A 79 -4.008 1.691 -11.200 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.218 0.951 -8.436 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.794 2.769 -8.369 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.825 2.804 -9.740 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.348 2.989 -10.715 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.204 1.429 -10.684 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.796 1.502 -7.662 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.153 0.055 -8.474 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.291 0.751 -7.081 1.00 0.00 H new ATOM 1257 N THR A 80 -4.627 -1.253 -9.432 1.00 0.00 N ATOM 1258 CA THR A 80 -4.782 -2.577 -9.990 1.00 0.00 C ATOM 1259 C THR A 80 -5.465 -3.480 -8.982 1.00 0.00 C ATOM 1260 O THR A 80 -4.906 -3.764 -7.919 1.00 0.00 O ATOM 1261 CB THR A 80 -3.413 -3.177 -10.365 1.00 0.00 C ATOM 1262 OG1 THR A 80 -2.688 -2.247 -11.183 1.00 0.00 O ATOM 1263 CG2 THR A 80 -3.578 -4.496 -11.111 1.00 0.00 C ATOM 0 H THR A 80 -4.129 -1.230 -8.542 1.00 0.00 H new ATOM 0 HA THR A 80 -5.390 -2.500 -10.891 1.00 0.00 H new ATOM 0 HB THR A 80 -2.860 -3.371 -9.446 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.817 -2.629 -11.419 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.596 -4.897 -11.363 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.109 -5.208 -10.479 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.147 -4.328 -12.025 1.00 0.00 H new ATOM 1271 N LEU A 81 -6.683 -3.900 -9.286 1.00 0.00 N ATOM 1272 CA LEU A 81 -7.381 -4.816 -8.411 1.00 0.00 C ATOM 1273 C LEU A 81 -6.712 -6.179 -8.453 1.00 0.00 C ATOM 1274 O LEU A 81 -6.823 -6.923 -9.431 1.00 0.00 O ATOM 1275 CB LEU A 81 -8.853 -4.954 -8.786 1.00 0.00 C ATOM 1276 CG LEU A 81 -9.681 -5.760 -7.783 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -9.818 -5.001 -6.472 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -11.046 -6.091 -8.361 1.00 0.00 C ATOM 0 H LEU A 81 -7.199 -3.623 -10.121 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.333 -4.409 -7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -9.287 -3.959 -8.882 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.924 -5.429 -9.764 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.162 -6.697 -7.581 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.410 -5.590 -5.771 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.829 -4.821 -6.050 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -10.313 -4.047 -6.654 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -11.620 -6.664 -7.633 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -11.576 -5.168 -8.595 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.923 -6.679 -9.271 1.00 0.00 H new ATOM 1290 N VAL A 82 -6.002 -6.481 -7.388 1.00 0.00 N ATOM 1291 CA VAL A 82 -5.336 -7.757 -7.237 1.00 0.00 C ATOM 1292 C VAL A 82 -6.301 -8.765 -6.622 1.00 0.00 C ATOM 1293 O VAL A 82 -6.540 -9.830 -7.191 1.00 0.00 O ATOM 1294 CB VAL A 82 -4.067 -7.610 -6.369 1.00 0.00 C ATOM 1295 CG1 VAL A 82 -2.821 -7.625 -7.241 1.00 0.00 C ATOM 1296 CG2 VAL A 82 -4.116 -6.315 -5.567 1.00 0.00 C ATOM 0 H VAL A 82 -5.870 -5.847 -6.600 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.027 -8.117 -8.218 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.028 -8.453 -5.679 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.936 -7.520 -6.613 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.770 -8.567 -7.786 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.863 -6.798 -7.950 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.214 -6.228 -4.961 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.178 -5.467 -6.249 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.991 -6.323 -4.917 1.00 0.00 H new ATOM 1306 N SER A 83 -6.862 -8.403 -5.470 1.00 0.00 N ATOM 1307 CA SER A 83 -7.955 -9.150 -4.854 1.00 0.00 C ATOM 1308 C SER A 83 -7.538 -10.572 -4.463 1.00 0.00 C ATOM 1309 O SER A 83 -6.365 -10.943 -4.556 1.00 0.00 O ATOM 1310 CB SER A 83 -9.152 -9.158 -5.809 1.00 0.00 C ATOM 1311 OG SER A 83 -10.291 -9.785 -5.239 1.00 0.00 O ATOM 0 H SER A 83 -6.571 -7.583 -4.938 1.00 0.00 H new ATOM 0 HA SER A 83 -8.236 -8.654 -3.925 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.403 -8.133 -6.082 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.877 -9.675 -6.728 1.00 0.00 H new ATOM 0 HG SER A 83 -10.383 -10.690 -5.603 1.00 0.00 H new ATOM 1317 N SER A 84 -8.504 -11.349 -3.991 1.00 0.00 N ATOM 1318 CA SER A 84 -8.244 -12.685 -3.481 1.00 0.00 C ATOM 1319 C SER A 84 -9.471 -13.579 -3.652 1.00 0.00 C ATOM 1320 O SER A 84 -9.430 -14.575 -4.370 1.00 0.00 O ATOM 1321 CB SER A 84 -7.862 -12.606 -2.003 1.00 0.00 C ATOM 1322 OG SER A 84 -6.781 -11.710 -1.802 1.00 0.00 O ATOM 0 H SER A 84 -9.485 -11.071 -3.952 1.00 0.00 H new ATOM 0 HA SER A 84 -7.420 -13.119 -4.048 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.722 -12.280 -1.419 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.589 -13.597 -1.641 1.00 0.00 H new ATOM 0 HG SER A 84 -6.557 -11.676 -0.849 1.00 0.00 H new ATOM 1328 N ALA A 85 -10.563 -13.216 -2.984 1.00 0.00 N ATOM 1329 CA ALA A 85 -11.784 -14.012 -3.041 1.00 0.00 C ATOM 1330 C ALA A 85 -12.696 -13.550 -4.169 1.00 0.00 C ATOM 1331 O ALA A 85 -13.336 -14.361 -4.839 1.00 0.00 O ATOM 1332 CB ALA A 85 -12.519 -13.961 -1.708 1.00 0.00 C ATOM 0 H ALA A 85 -10.627 -12.382 -2.401 1.00 0.00 H new ATOM 0 HA ALA A 85 -11.498 -15.044 -3.244 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.427 -14.561 -1.770 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.876 -14.357 -0.922 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -12.781 -12.929 -1.476 1.00 0.00 H new ATOM 1338 N GLY A 86 -12.748 -12.244 -4.375 1.00 0.00 N ATOM 1339 CA GLY A 86 -13.576 -11.697 -5.428 1.00 0.00 C ATOM 1340 C GLY A 86 -14.871 -11.120 -4.902 1.00 0.00 C ATOM 1341 O GLY A 86 -15.788 -11.858 -4.545 1.00 0.00 O ATOM 0 H GLY A 86 -12.231 -11.552 -3.832 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.023 -10.920 -5.955 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.798 -12.478 -6.155 1.00 0.00 H new ATOM 1345 N LEU A 87 -14.939 -9.802 -4.838 1.00 0.00 N ATOM 1346 CA LEU A 87 -16.149 -9.121 -4.397 1.00 0.00 C ATOM 1347 C LEU A 87 -16.876 -8.561 -5.620 1.00 0.00 C ATOM 1348 O LEU A 87 -16.465 -7.554 -6.184 1.00 0.00 O ATOM 1349 CB LEU A 87 -15.821 -7.987 -3.403 1.00 0.00 C ATOM 1350 CG LEU A 87 -15.023 -8.379 -2.141 1.00 0.00 C ATOM 1351 CD1 LEU A 87 -15.598 -9.635 -1.501 1.00 0.00 C ATOM 1352 CD2 LEU A 87 -13.539 -8.554 -2.447 1.00 0.00 C ATOM 0 H LEU A 87 -14.170 -9.179 -5.086 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.789 -9.836 -3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.259 -7.220 -3.936 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -16.759 -7.532 -3.085 1.00 0.00 H new ATOM 0 HG LEU A 87 -15.116 -7.560 -1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.018 -9.890 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.635 -9.457 -1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.553 -10.459 -2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -13.009 -8.830 -1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -13.411 -9.339 -3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -13.134 -7.618 -2.833 1.00 0.00 H new ATOM 1364 N PRO A 88 -17.965 -9.223 -6.054 1.00 0.00 N ATOM 1365 CA PRO A 88 -18.674 -8.870 -7.288 1.00 0.00 C ATOM 1366 C PRO A 88 -19.530 -7.612 -7.142 1.00 0.00 C ATOM 1367 O PRO A 88 -19.114 -6.521 -7.527 1.00 0.00 O ATOM 1368 CB PRO A 88 -19.560 -10.095 -7.575 1.00 0.00 C ATOM 1369 CG PRO A 88 -19.188 -11.121 -6.548 1.00 0.00 C ATOM 1370 CD PRO A 88 -18.592 -10.369 -5.393 1.00 0.00 C ATOM 0 HA PRO A 88 -17.975 -8.641 -8.092 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -20.617 -9.838 -7.505 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -19.390 -10.472 -8.583 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -20.063 -11.689 -6.232 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -18.474 -11.837 -6.955 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -19.351 -10.059 -4.675 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -17.865 -10.971 -4.848 1.00 0.00 H new ATOM 1378 N SER A 89 -20.718 -7.764 -6.567 1.00 0.00 N ATOM 1379 CA SER A 89 -21.625 -6.635 -6.376 1.00 0.00 C ATOM 1380 C SER A 89 -21.070 -5.680 -5.327 1.00 0.00 C ATOM 1381 O SER A 89 -21.454 -4.513 -5.254 1.00 0.00 O ATOM 1382 CB SER A 89 -23.002 -7.139 -5.943 1.00 0.00 C ATOM 1383 OG SER A 89 -23.455 -8.177 -6.798 1.00 0.00 O ATOM 0 H SER A 89 -21.076 -8.656 -6.225 1.00 0.00 H new ATOM 0 HA SER A 89 -21.720 -6.101 -7.321 1.00 0.00 H new ATOM 0 HB2 SER A 89 -22.954 -7.503 -4.917 1.00 0.00 H new ATOM 0 HB3 SER A 89 -23.715 -6.315 -5.956 1.00 0.00 H new ATOM 0 HG SER A 89 -24.034 -8.786 -6.294 1.00 0.00 H new ATOM 1389 N LEU A 90 -20.157 -6.194 -4.521 1.00 0.00 N ATOM 1390 CA LEU A 90 -19.561 -5.432 -3.439 1.00 0.00 C ATOM 1391 C LEU A 90 -18.536 -4.433 -3.967 1.00 0.00 C ATOM 1392 O LEU A 90 -18.372 -3.350 -3.401 1.00 0.00 O ATOM 1393 CB LEU A 90 -18.895 -6.389 -2.454 1.00 0.00 C ATOM 1394 CG LEU A 90 -19.813 -7.466 -1.876 1.00 0.00 C ATOM 1395 CD1 LEU A 90 -18.983 -8.625 -1.357 1.00 0.00 C ATOM 1396 CD2 LEU A 90 -20.681 -6.888 -0.768 1.00 0.00 C ATOM 0 H LEU A 90 -19.809 -7.150 -4.598 1.00 0.00 H new ATOM 0 HA LEU A 90 -20.348 -4.871 -2.935 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -18.058 -6.877 -2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -18.479 -5.808 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 90 -20.471 -7.831 -2.665 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -19.642 -9.390 -0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -18.400 -9.050 -2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -18.309 -8.270 -0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -21.328 -7.669 -0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -20.045 -6.501 0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -21.293 -6.080 -1.169 1.00 0.00 H new ATOM 1408 N ASP A 91 -17.875 -4.799 -5.069 1.00 0.00 N ATOM 1409 CA ASP A 91 -16.762 -4.017 -5.618 1.00 0.00 C ATOM 1410 C ASP A 91 -17.158 -2.571 -5.859 1.00 0.00 C ATOM 1411 O ASP A 91 -16.470 -1.655 -5.418 1.00 0.00 O ATOM 1412 CB ASP A 91 -16.279 -4.636 -6.938 1.00 0.00 C ATOM 1413 CG ASP A 91 -15.111 -3.885 -7.571 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -15.334 -2.813 -8.176 1.00 0.00 O1- ATOM 1415 OD2 ASP A 91 -13.964 -4.373 -7.481 1.00 0.00 O ATOM 0 H ASP A 91 -18.094 -5.640 -5.603 1.00 0.00 H new ATOM 0 HA ASP A 91 -15.957 -4.035 -4.883 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.982 -5.669 -6.758 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -17.109 -4.661 -7.644 1.00 0.00 H new ATOM 1420 N ARG A 92 -18.290 -2.375 -6.516 1.00 0.00 N ATOM 1421 CA ARG A 92 -18.694 -1.052 -6.973 1.00 0.00 C ATOM 1422 C ARG A 92 -18.689 -0.016 -5.848 1.00 0.00 C ATOM 1423 O ARG A 92 -18.188 1.087 -6.030 1.00 0.00 O ATOM 1424 CB ARG A 92 -20.075 -1.119 -7.629 1.00 0.00 C ATOM 1425 CG ARG A 92 -21.140 -1.778 -6.763 1.00 0.00 C ATOM 1426 CD ARG A 92 -22.469 -1.894 -7.490 1.00 0.00 C ATOM 1427 NE ARG A 92 -22.340 -2.615 -8.758 1.00 0.00 N ATOM 1428 CZ ARG A 92 -23.267 -3.431 -9.250 1.00 0.00 C ATOM 1429 NH1 ARG A 92 -24.385 -3.658 -8.576 1.00 0.00 N1+ ATOM 1430 NH2 ARG A 92 -23.084 -4.021 -10.421 1.00 0.00 N ATOM 0 H ARG A 92 -18.949 -3.118 -6.746 1.00 0.00 H new ATOM 0 HA ARG A 92 -17.958 -0.727 -7.708 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -20.398 -0.108 -7.877 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -19.994 -1.667 -8.568 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -20.802 -2.770 -6.464 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -21.275 -1.199 -5.850 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -23.187 -2.409 -6.852 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -22.867 -0.897 -7.679 1.00 0.00 H new ATOM 0 HE ARG A 92 -21.485 -2.483 -9.298 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -24.538 -3.206 -7.675 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -25.093 -4.285 -8.959 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -22.229 -3.850 -10.950 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -23.798 -4.646 -10.794 1.00 0.00 H new ATOM 1444 N GLU A 93 -19.241 -0.360 -4.693 1.00 0.00 N ATOM 1445 CA GLU A 93 -19.337 0.597 -3.600 1.00 0.00 C ATOM 1446 C GLU A 93 -18.003 0.752 -2.853 1.00 0.00 C ATOM 1447 O GLU A 93 -17.498 1.865 -2.704 1.00 0.00 O ATOM 1448 CB GLU A 93 -20.455 0.195 -2.645 1.00 0.00 C ATOM 1449 CG GLU A 93 -21.094 1.377 -1.929 1.00 0.00 C ATOM 1450 CD GLU A 93 -22.308 0.975 -1.114 1.00 0.00 C ATOM 1451 OE1 GLU A 93 -23.176 0.246 -1.649 1.00 0.00 O1- ATOM 1452 OE2 GLU A 93 -22.394 1.356 0.068 1.00 0.00 O ATOM 0 H GLU A 93 -19.625 -1.283 -4.490 1.00 0.00 H new ATOM 0 HA GLU A 93 -19.575 1.570 -4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -21.223 -0.341 -3.202 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -20.057 -0.498 -1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -20.358 1.842 -1.273 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -21.386 2.128 -2.663 1.00 0.00 H new ATOM 1459 N ILE A 94 -17.429 -0.365 -2.400 1.00 0.00 N ATOM 1460 CA ILE A 94 -16.208 -0.329 -1.594 1.00 0.00 C ATOM 1461 C ILE A 94 -15.009 0.164 -2.399 1.00 0.00 C ATOM 1462 O ILE A 94 -14.160 0.885 -1.874 1.00 0.00 O ATOM 1463 CB ILE A 94 -15.865 -1.708 -0.972 1.00 0.00 C ATOM 1464 CG1 ILE A 94 -15.645 -2.768 -2.059 1.00 0.00 C ATOM 1465 CG2 ILE A 94 -16.961 -2.146 -0.011 1.00 0.00 C ATOM 1466 CD1 ILE A 94 -15.221 -4.118 -1.519 1.00 0.00 C ATOM 0 H ILE A 94 -17.789 -1.303 -2.577 1.00 0.00 H new ATOM 0 HA ILE A 94 -16.414 0.374 -0.787 1.00 0.00 H new ATOM 0 HB ILE A 94 -14.934 -1.603 -0.414 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -16.567 -2.888 -2.628 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -14.885 -2.410 -2.754 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -16.704 -3.115 0.416 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -17.059 -1.412 0.788 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -17.906 -2.225 -0.549 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -15.085 -4.814 -2.346 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -14.283 -4.014 -0.974 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -15.990 -4.499 -0.847 1.00 0.00 H new ATOM 1478 N GLN A 95 -14.931 -0.214 -3.666 1.00 0.00 N ATOM 1479 CA GLN A 95 -13.821 0.192 -4.492 1.00 0.00 C ATOM 1480 C GLN A 95 -14.030 1.596 -5.028 1.00 0.00 C ATOM 1481 O GLN A 95 -13.083 2.289 -5.350 1.00 0.00 O ATOM 1482 CB GLN A 95 -13.624 -0.760 -5.647 1.00 0.00 C ATOM 1483 CG GLN A 95 -13.377 -2.203 -5.236 1.00 0.00 C ATOM 1484 CD GLN A 95 -12.086 -2.397 -4.474 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -11.132 -1.638 -4.638 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -12.033 -3.443 -3.670 1.00 0.00 N ATOM 0 H GLN A 95 -15.623 -0.798 -4.136 1.00 0.00 H new ATOM 0 HA GLN A 95 -12.929 0.177 -3.866 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -14.506 -0.723 -6.287 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -12.781 -0.416 -6.246 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.209 -2.545 -4.620 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -13.362 -2.830 -6.128 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -12.848 -4.046 -3.564 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -11.177 -3.648 -3.155 1.00 0.00 H new ATOM 1495 N ALA A 96 -15.264 2.025 -5.148 1.00 0.00 N ATOM 1496 CA ALA A 96 -15.502 3.428 -5.439 1.00 0.00 C ATOM 1497 C ALA A 96 -14.809 4.245 -4.365 1.00 0.00 C ATOM 1498 O ALA A 96 -14.092 5.202 -4.641 1.00 0.00 O ATOM 1499 CB ALA A 96 -16.986 3.752 -5.470 1.00 0.00 C ATOM 0 H ALA A 96 -16.099 1.447 -5.053 1.00 0.00 H new ATOM 0 HA ALA A 96 -15.106 3.666 -6.426 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -17.123 4.811 -5.691 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -17.473 3.155 -6.241 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -17.429 3.523 -4.501 1.00 0.00 H new ATOM 1505 N LEU A 97 -14.968 3.786 -3.140 1.00 0.00 N ATOM 1506 CA LEU A 97 -14.410 4.414 -1.995 1.00 0.00 C ATOM 1507 C LEU A 97 -12.874 4.321 -1.983 1.00 0.00 C ATOM 1508 O LEU A 97 -12.188 5.338 -1.964 1.00 0.00 O ATOM 1509 CB LEU A 97 -14.995 3.688 -0.798 1.00 0.00 C ATOM 1510 CG LEU A 97 -14.601 4.259 0.521 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -15.740 5.069 1.107 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -14.153 3.157 1.461 1.00 0.00 C ATOM 0 H LEU A 97 -15.504 2.945 -2.925 1.00 0.00 H new ATOM 0 HA LEU A 97 -14.648 5.478 -1.985 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -16.082 3.701 -0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -14.686 2.643 -0.835 1.00 0.00 H new ATOM 0 HG LEU A 97 -13.757 4.933 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -15.437 5.479 2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -15.993 5.884 0.429 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -16.610 4.427 1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -13.869 3.590 2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -14.970 2.451 1.610 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -13.298 2.636 1.030 1.00 0.00 H new ATOM 1524 N VAL A 98 -12.347 3.101 -2.043 1.00 0.00 N ATOM 1525 CA VAL A 98 -10.899 2.878 -1.940 1.00 0.00 C ATOM 1526 C VAL A 98 -10.191 2.944 -3.299 1.00 0.00 C ATOM 1527 O VAL A 98 -9.186 3.639 -3.453 1.00 0.00 O ATOM 1528 CB VAL A 98 -10.597 1.510 -1.288 1.00 0.00 C ATOM 1529 CG1 VAL A 98 -9.100 1.276 -1.183 1.00 0.00 C ATOM 1530 CG2 VAL A 98 -11.251 1.412 0.082 1.00 0.00 C ATOM 0 H VAL A 98 -12.896 2.250 -2.162 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.515 3.685 -1.316 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.017 0.733 -1.926 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -8.915 0.306 -0.721 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -8.658 1.293 -2.179 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.651 2.060 -0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.026 0.441 0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -10.866 2.202 0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -12.330 1.522 -0.021 1.00 0.00 H new ATOM 1540 N LYS A 99 -10.730 2.227 -4.279 1.00 0.00 N ATOM 1541 CA LYS A 99 -10.117 2.122 -5.606 1.00 0.00 C ATOM 1542 C LYS A 99 -10.109 3.483 -6.318 1.00 0.00 C ATOM 1543 O LYS A 99 -9.310 3.707 -7.230 1.00 0.00 O ATOM 1544 CB LYS A 99 -10.852 1.050 -6.448 1.00 0.00 C ATOM 1545 CG LYS A 99 -10.268 0.806 -7.833 1.00 0.00 C ATOM 1546 CD LYS A 99 -11.140 -0.140 -8.652 1.00 0.00 C ATOM 1547 CE LYS A 99 -11.306 -1.498 -7.978 1.00 0.00 C ATOM 1548 NZ LYS A 99 -12.337 -2.333 -8.656 1.00 0.00 N1+ ATOM 0 H LYS A 99 -11.600 1.703 -4.181 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.079 1.812 -5.487 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.845 0.110 -5.897 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.895 1.348 -6.557 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -10.168 1.756 -8.358 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -9.266 0.387 -7.737 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -12.121 0.311 -8.803 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -10.697 -0.277 -9.638 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -10.352 -2.025 -7.983 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -11.585 -1.353 -6.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.579 -3.144 -8.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.189 -1.762 -8.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -11.964 -2.676 -9.564 1.00 0.00 H new ATOM 1562 N ARG A 100 -11.000 4.396 -5.920 1.00 0.00 N ATOM 1563 CA ARG A 100 -10.954 5.752 -6.446 1.00 0.00 C ATOM 1564 C ARG A 100 -10.082 6.626 -5.546 1.00 0.00 C ATOM 1565 O ARG A 100 -9.131 7.253 -6.010 1.00 0.00 O ATOM 1566 CB ARG A 100 -12.367 6.332 -6.566 1.00 0.00 C ATOM 1567 CG ARG A 100 -12.473 7.593 -7.410 1.00 0.00 C ATOM 1568 CD ARG A 100 -11.902 8.816 -6.709 1.00 0.00 C ATOM 1569 NE ARG A 100 -12.109 10.033 -7.488 1.00 0.00 N ATOM 1570 CZ ARG A 100 -11.333 11.111 -7.416 1.00 0.00 C ATOM 1571 NH1 ARG A 100 -10.268 11.124 -6.622 1.00 0.00 N1+ ATOM 1572 NH2 ARG A 100 -11.620 12.176 -8.148 1.00 0.00 N ATOM 0 H ARG A 100 -11.747 4.220 -5.248 1.00 0.00 H new ATOM 0 HA ARG A 100 -10.516 5.731 -7.444 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -13.021 5.571 -6.992 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -12.741 6.550 -5.565 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -11.947 7.440 -8.352 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -13.519 7.775 -7.655 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -12.371 8.926 -5.731 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -10.835 8.672 -6.537 1.00 0.00 H new ATOM 0 HE ARG A 100 -12.901 10.058 -8.130 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -10.040 10.303 -6.061 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -9.678 11.955 -6.573 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -12.433 12.168 -8.764 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -11.028 13.005 -8.096 1.00 0.00 H new ATOM 1586 N ALA A 101 -10.408 6.669 -4.259 1.00 0.00 N ATOM 1587 CA ALA A 101 -9.638 7.470 -3.317 1.00 0.00 C ATOM 1588 C ALA A 101 -8.421 6.702 -2.823 1.00 0.00 C ATOM 1589 O ALA A 101 -8.396 6.221 -1.693 1.00 0.00 O ATOM 1590 CB ALA A 101 -10.496 7.923 -2.139 1.00 0.00 C ATOM 0 H ALA A 101 -11.193 6.164 -3.848 1.00 0.00 H new ATOM 0 HA ALA A 101 -9.296 8.360 -3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -9.891 8.518 -1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -11.328 8.525 -2.505 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.883 7.050 -1.614 1.00 0.00 H new ATOM 1596 N SER A 102 -7.423 6.569 -3.686 1.00 0.00 N ATOM 1597 CA SER A 102 -6.163 5.966 -3.294 1.00 0.00 C ATOM 1598 C SER A 102 -5.145 7.059 -2.996 1.00 0.00 C ATOM 1599 O SER A 102 -4.547 7.642 -3.902 1.00 0.00 O ATOM 1600 CB SER A 102 -5.664 5.027 -4.389 1.00 0.00 C ATOM 1601 OG SER A 102 -6.700 4.159 -4.819 1.00 0.00 O ATOM 0 H SER A 102 -7.464 6.871 -4.659 1.00 0.00 H new ATOM 0 HA SER A 102 -6.308 5.375 -2.390 1.00 0.00 H new ATOM 0 HB2 SER A 102 -5.297 5.609 -5.234 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.824 4.441 -4.017 1.00 0.00 H new ATOM 0 HG SER A 102 -7.400 4.121 -4.134 1.00 0.00 H new ATOM 1607 N PRO A 103 -4.980 7.383 -1.708 1.00 0.00 N ATOM 1608 CA PRO A 103 -4.099 8.429 -1.239 1.00 0.00 C ATOM 1609 C PRO A 103 -2.815 7.907 -0.593 1.00 0.00 C ATOM 1610 O PRO A 103 -2.621 6.704 -0.424 1.00 0.00 O ATOM 1611 CB PRO A 103 -4.975 9.090 -0.186 1.00 0.00 C ATOM 1612 CG PRO A 103 -5.841 7.983 0.357 1.00 0.00 C ATOM 1613 CD PRO A 103 -5.701 6.804 -0.579 1.00 0.00 C ATOM 0 HA PRO A 103 -3.746 9.072 -2.045 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.372 9.541 0.602 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.580 9.886 -0.620 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -5.531 7.712 1.366 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -6.881 8.304 0.419 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -5.147 5.985 -0.120 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.670 6.405 -0.878 1.00 0.00 H new ATOM 1621 N LEU A 104 -1.955 8.842 -0.220 1.00 0.00 N ATOM 1622 CA LEU A 104 -0.681 8.531 0.409 1.00 0.00 C ATOM 1623 C LEU A 104 -0.356 9.592 1.457 1.00 0.00 C ATOM 1624 O LEU A 104 -0.190 10.766 1.126 1.00 0.00 O ATOM 1625 CB LEU A 104 0.416 8.466 -0.663 1.00 0.00 C ATOM 1626 CG LEU A 104 1.843 8.277 -0.150 1.00 0.00 C ATOM 1627 CD1 LEU A 104 2.579 7.258 -1.004 1.00 0.00 C ATOM 1628 CD2 LEU A 104 2.586 9.606 -0.167 1.00 0.00 C ATOM 0 H LEU A 104 -2.121 9.840 -0.345 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.739 7.562 0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 104 0.184 7.646 -1.343 1.00 0.00 H new ATOM 0 HB3 LEU A 104 0.380 9.385 -1.248 1.00 0.00 H new ATOM 0 HG LEU A 104 1.800 7.909 0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.594 7.133 -0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.056 6.302 -0.962 1.00 0.00 H new ATOM 0 HD13 LEU A 104 2.615 7.607 -2.036 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.602 9.460 0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.621 9.990 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.068 10.321 0.473 1.00 0.00 H new ATOM 1640 N PRO A 105 -0.300 9.195 2.743 1.00 0.00 N ATOM 1641 CA PRO A 105 0.006 10.114 3.843 1.00 0.00 C ATOM 1642 C PRO A 105 1.460 10.567 3.845 1.00 0.00 C ATOM 1643 O PRO A 105 1.769 11.712 3.525 1.00 0.00 O ATOM 1644 CB PRO A 105 -0.267 9.300 5.113 1.00 0.00 C ATOM 1645 CG PRO A 105 -0.884 8.017 4.668 1.00 0.00 C ATOM 1646 CD PRO A 105 -0.545 7.828 3.219 1.00 0.00 C ATOM 0 HA PRO A 105 -0.593 11.021 3.759 1.00 0.00 H new ATOM 0 HB2 PRO A 105 0.656 9.117 5.662 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.935 9.840 5.784 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.506 7.184 5.261 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -1.965 8.043 4.808 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.333 7.195 3.092 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -1.361 7.354 2.674 1.00 0.00 H new ATOM 1654 N THR A 106 2.337 9.653 4.215 1.00 0.00 N ATOM 1655 CA THR A 106 3.760 9.939 4.321 1.00 0.00 C ATOM 1656 C THR A 106 4.469 9.760 2.978 1.00 0.00 C ATOM 1657 O THR A 106 4.489 8.659 2.432 1.00 0.00 O ATOM 1658 CB THR A 106 4.409 9.031 5.381 1.00 0.00 C ATOM 1659 OG1 THR A 106 3.633 7.829 5.527 1.00 0.00 O ATOM 1660 CG2 THR A 106 4.506 9.747 6.718 1.00 0.00 C ATOM 0 H THR A 106 2.086 8.693 4.451 1.00 0.00 H new ATOM 0 HA THR A 106 3.867 10.981 4.624 1.00 0.00 H new ATOM 0 HB THR A 106 5.417 8.778 5.052 1.00 0.00 H new ATOM 0 HG1 THR A 106 4.048 7.251 6.201 1.00 0.00 H new ATOM 0 HG21 THR A 106 4.968 9.086 7.452 1.00 0.00 H new ATOM 0 HG22 THR A 106 5.113 10.646 6.606 1.00 0.00 H new ATOM 0 HG23 THR A 106 3.507 10.023 7.056 1.00 0.00 H new ATOM 1668 N PRO A 107 5.044 10.850 2.431 1.00 0.00 N ATOM 1669 CA PRO A 107 5.763 10.825 1.147 1.00 0.00 C ATOM 1670 C PRO A 107 7.013 9.945 1.199 1.00 0.00 C ATOM 1671 O PRO A 107 8.025 10.324 1.790 1.00 0.00 O ATOM 1672 CB PRO A 107 6.159 12.292 0.918 1.00 0.00 C ATOM 1673 CG PRO A 107 5.284 13.078 1.832 1.00 0.00 C ATOM 1674 CD PRO A 107 5.041 12.196 3.020 1.00 0.00 C ATOM 0 HA PRO A 107 5.146 10.408 0.351 1.00 0.00 H new ATOM 0 HB2 PRO A 107 7.213 12.456 1.144 1.00 0.00 H new ATOM 0 HB3 PRO A 107 6.007 12.584 -0.121 1.00 0.00 H new ATOM 0 HG2 PRO A 107 5.765 14.010 2.128 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.347 13.344 1.344 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.820 12.309 3.774 1.00 0.00 H new ATOM 0 HD3 PRO A 107 4.092 12.423 3.505 1.00 0.00 H new ATOM 1682 N PRO A 108 6.961 8.762 0.567 1.00 0.00 N ATOM 1683 CA PRO A 108 8.061 7.805 0.571 1.00 0.00 C ATOM 1684 C PRO A 108 9.035 8.048 -0.574 1.00 0.00 C ATOM 1685 O PRO A 108 9.141 7.239 -1.502 1.00 0.00 O ATOM 1686 CB PRO A 108 7.328 6.479 0.384 1.00 0.00 C ATOM 1687 CG PRO A 108 6.180 6.820 -0.505 1.00 0.00 C ATOM 1688 CD PRO A 108 5.815 8.256 -0.207 1.00 0.00 C ATOM 0 HA PRO A 108 8.672 7.859 1.472 1.00 0.00 H new ATOM 0 HB2 PRO A 108 7.974 5.727 -0.070 1.00 0.00 H new ATOM 0 HB3 PRO A 108 6.988 6.074 1.337 1.00 0.00 H new ATOM 0 HG2 PRO A 108 6.453 6.699 -1.553 1.00 0.00 H new ATOM 0 HG3 PRO A 108 5.334 6.158 -0.317 1.00 0.00 H new ATOM 0 HD2 PRO A 108 5.668 8.829 -1.123 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.888 8.322 0.363 1.00 0.00 H new ATOM 1696 N ALA A 109 9.740 9.169 -0.514 1.00 0.00 N ATOM 1697 CA ALA A 109 10.725 9.499 -1.533 1.00 0.00 C ATOM 1698 C ALA A 109 11.741 8.374 -1.660 1.00 0.00 C ATOM 1699 O ALA A 109 12.062 7.926 -2.761 1.00 0.00 O ATOM 1700 CB ALA A 109 11.420 10.810 -1.207 1.00 0.00 C ATOM 0 H ALA A 109 9.648 9.863 0.228 1.00 0.00 H new ATOM 0 HA ALA A 109 10.211 9.618 -2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 109 12.152 11.036 -1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 109 10.682 11.611 -1.159 1.00 0.00 H new ATOM 0 HB3 ALA A 109 11.925 10.725 -0.245 1.00 0.00 H new ATOM 1706 N ASP A 110 12.174 7.871 -0.512 1.00 0.00 N ATOM 1707 CA ASP A 110 13.199 6.839 -0.457 1.00 0.00 C ATOM 1708 C ASP A 110 12.664 5.493 -0.916 1.00 0.00 C ATOM 1709 O ASP A 110 13.404 4.510 -0.969 1.00 0.00 O ATOM 1710 CB ASP A 110 13.749 6.707 0.963 1.00 0.00 C ATOM 1711 CG ASP A 110 14.477 7.949 1.428 1.00 0.00 C ATOM 1712 OD1 ASP A 110 15.688 8.073 1.147 1.00 0.00 O1- ATOM 1713 OD2 ASP A 110 13.843 8.806 2.081 1.00 0.00 O ATOM 0 H ASP A 110 11.827 8.165 0.401 1.00 0.00 H new ATOM 0 HA ASP A 110 13.999 7.141 -1.133 1.00 0.00 H new ATOM 0 HB2 ASP A 110 12.928 6.495 1.648 1.00 0.00 H new ATOM 0 HB3 ASP A 110 14.428 5.856 1.007 1.00 0.00 H new ATOM 1718 N ALA A 111 11.381 5.445 -1.243 1.00 0.00 N ATOM 1719 CA ALA A 111 10.758 4.206 -1.671 1.00 0.00 C ATOM 1720 C ALA A 111 10.504 4.190 -3.173 1.00 0.00 C ATOM 1721 O ALA A 111 10.524 3.132 -3.797 1.00 0.00 O ATOM 1722 CB ALA A 111 9.465 3.970 -0.909 1.00 0.00 C ATOM 0 H ALA A 111 10.754 6.249 -1.220 1.00 0.00 H new ATOM 0 HA ALA A 111 11.452 3.395 -1.448 1.00 0.00 H new ATOM 0 HB1 ALA A 111 9.011 3.037 -1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 111 9.678 3.909 0.158 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.777 4.795 -1.095 1.00 0.00 H new ATOM 1728 N TYR A 112 10.279 5.356 -3.773 1.00 0.00 N ATOM 1729 CA TYR A 112 10.000 5.391 -5.202 1.00 0.00 C ATOM 1730 C TYR A 112 11.156 5.923 -6.003 1.00 0.00 C ATOM 1731 O TYR A 112 11.000 6.302 -7.163 1.00 0.00 O ATOM 1732 CB TYR A 112 8.711 6.108 -5.572 1.00 0.00 C ATOM 1733 CG TYR A 112 8.387 7.383 -4.846 1.00 0.00 C ATOM 1734 CD1 TYR A 112 9.246 8.469 -4.834 1.00 0.00 C ATOM 1735 CD2 TYR A 112 7.175 7.493 -4.196 1.00 0.00 C ATOM 1736 CE1 TYR A 112 8.898 9.634 -4.175 1.00 0.00 C ATOM 1737 CE2 TYR A 112 6.814 8.640 -3.543 1.00 0.00 C ATOM 1738 CZ TYR A 112 7.678 9.714 -3.530 1.00 0.00 C ATOM 1739 OH TYR A 112 7.323 10.868 -2.870 1.00 0.00 O ATOM 0 H TYR A 112 10.284 6.263 -3.307 1.00 0.00 H new ATOM 0 HA TYR A 112 9.853 4.345 -5.470 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.745 6.329 -6.639 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.885 5.414 -5.416 1.00 0.00 H new ATOM 0 HD1 TYR A 112 10.196 8.406 -5.344 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.495 6.654 -4.203 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.575 10.476 -4.164 1.00 0.00 H new ATOM 0 HE2 TYR A 112 5.860 8.703 -3.042 1.00 0.00 H new ATOM 0 HH TYR A 112 6.434 10.757 -2.472 1.00 0.00 H new ATOM 1749 N VAL A 113 12.312 5.950 -5.385 1.00 0.00 N ATOM 1750 CA VAL A 113 13.532 6.204 -6.129 1.00 0.00 C ATOM 1751 C VAL A 113 13.830 4.970 -6.979 1.00 0.00 C ATOM 1752 O VAL A 113 14.533 4.047 -6.570 1.00 0.00 O ATOM 1753 CB VAL A 113 14.737 6.541 -5.212 1.00 0.00 C ATOM 1754 CG1 VAL A 113 14.669 7.993 -4.758 1.00 0.00 C ATOM 1755 CG2 VAL A 113 14.797 5.613 -4.002 1.00 0.00 C ATOM 0 H VAL A 113 12.439 5.802 -4.384 1.00 0.00 H new ATOM 0 HA VAL A 113 13.381 7.082 -6.757 1.00 0.00 H new ATOM 0 HB VAL A 113 15.647 6.392 -5.794 1.00 0.00 H new ATOM 0 HG11 VAL A 113 15.521 8.214 -4.115 1.00 0.00 H new ATOM 0 HG12 VAL A 113 14.692 8.648 -5.629 1.00 0.00 H new ATOM 0 HG13 VAL A 113 13.745 8.158 -4.204 1.00 0.00 H new ATOM 0 HG21 VAL A 113 15.653 5.878 -3.382 1.00 0.00 H new ATOM 0 HG22 VAL A 113 13.882 5.715 -3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 113 14.899 4.582 -4.339 1.00 0.00 H new ATOM 1765 N ASN A 114 13.261 5.007 -8.184 1.00 0.00 N ATOM 1766 CA ASN A 114 13.194 3.871 -9.106 1.00 0.00 C ATOM 1767 C ASN A 114 12.095 4.160 -10.128 1.00 0.00 C ATOM 1768 O ASN A 114 12.100 3.634 -11.239 1.00 0.00 O ATOM 1769 CB ASN A 114 12.868 2.549 -8.377 1.00 0.00 C ATOM 1770 CG ASN A 114 11.377 2.333 -8.138 1.00 0.00 C ATOM 1771 OD1 ASN A 114 10.685 1.739 -8.965 1.00 0.00 O ATOM 1772 ND2 ASN A 114 10.872 2.808 -7.009 1.00 0.00 N ATOM 0 H ASN A 114 12.822 5.849 -8.556 1.00 0.00 H new ATOM 0 HA ASN A 114 14.167 3.751 -9.582 1.00 0.00 H new ATOM 0 HB2 ASN A 114 13.258 1.716 -8.962 1.00 0.00 H new ATOM 0 HB3 ASN A 114 13.387 2.535 -7.418 1.00 0.00 H new ATOM 0 HD21 ASN A 114 9.880 2.686 -6.803 1.00 0.00 H new ATOM 0 HD22 ASN A 114 11.475 3.295 -6.346 1.00 0.00 H new ATOM 1779 N GLY A 115 11.153 5.009 -9.718 1.00 0.00 N ATOM 1780 CA GLY A 115 10.030 5.369 -10.560 1.00 0.00 C ATOM 1781 C GLY A 115 8.872 5.915 -9.747 1.00 0.00 C ATOM 1782 O GLY A 115 8.648 7.123 -9.703 1.00 0.00 O ATOM 0 H GLY A 115 11.152 5.458 -8.802 1.00 0.00 H new ATOM 0 HA2 GLY A 115 10.346 6.115 -11.289 1.00 0.00 H new ATOM 0 HA3 GLY A 115 9.701 4.494 -11.121 1.00 0.00 H new ATOM 1786 N THR A 116 8.153 5.018 -9.081 1.00 0.00 N ATOM 1787 CA THR A 116 6.988 5.376 -8.289 1.00 0.00 C ATOM 1788 C THR A 116 6.685 4.267 -7.278 1.00 0.00 C ATOM 1789 O THR A 116 7.335 3.221 -7.300 1.00 0.00 O ATOM 1790 CB THR A 116 5.762 5.615 -9.194 1.00 0.00 C ATOM 1791 OG1 THR A 116 6.031 5.143 -10.527 1.00 0.00 O ATOM 1792 CG2 THR A 116 5.395 7.092 -9.229 1.00 0.00 C ATOM 0 H THR A 116 8.365 4.020 -9.077 1.00 0.00 H new ATOM 0 HA THR A 116 7.205 6.301 -7.755 1.00 0.00 H new ATOM 0 HB THR A 116 4.919 5.060 -8.782 1.00 0.00 H new ATOM 0 HG1 THR A 116 5.246 5.298 -11.093 1.00 0.00 H new ATOM 0 HG21 THR A 116 4.528 7.236 -9.873 1.00 0.00 H new ATOM 0 HG22 THR A 116 5.159 7.432 -8.221 1.00 0.00 H new ATOM 0 HG23 THR A 116 6.236 7.667 -9.618 1.00 0.00 H new ATOM 1800 N VAL A 117 5.722 4.493 -6.388 1.00 0.00 N ATOM 1801 CA VAL A 117 5.371 3.489 -5.387 1.00 0.00 C ATOM 1802 C VAL A 117 4.065 2.802 -5.733 1.00 0.00 C ATOM 1803 O VAL A 117 2.996 3.401 -5.659 1.00 0.00 O ATOM 1804 CB VAL A 117 5.236 4.072 -3.954 1.00 0.00 C ATOM 1805 CG1 VAL A 117 6.596 4.352 -3.344 1.00 0.00 C ATOM 1806 CG2 VAL A 117 4.371 5.334 -3.937 1.00 0.00 C ATOM 0 H VAL A 117 5.176 5.353 -6.339 1.00 0.00 H new ATOM 0 HA VAL A 117 6.197 2.778 -5.398 1.00 0.00 H new ATOM 0 HB VAL A 117 4.737 3.316 -3.347 1.00 0.00 H new ATOM 0 HG11 VAL A 117 6.468 4.759 -2.341 1.00 0.00 H new ATOM 0 HG12 VAL A 117 7.168 3.426 -3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 117 7.131 5.073 -3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 117 4.300 5.713 -2.917 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.823 6.093 -4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 117 3.373 5.096 -4.306 1.00 0.00 H new ATOM 1816 N GLU A 118 4.160 1.547 -6.126 1.00 0.00 N ATOM 1817 CA GLU A 118 2.979 0.732 -6.295 1.00 0.00 C ATOM 1818 C GLU A 118 2.961 -0.316 -5.195 1.00 0.00 C ATOM 1819 O GLU A 118 3.808 -1.210 -5.156 1.00 0.00 O ATOM 1820 CB GLU A 118 2.949 0.073 -7.677 1.00 0.00 C ATOM 1821 CG GLU A 118 1.593 -0.509 -8.023 1.00 0.00 C ATOM 1822 CD GLU A 118 1.546 -1.156 -9.393 1.00 0.00 C ATOM 1823 OE1 GLU A 118 1.225 -0.455 -10.372 1.00 0.00 O ATOM 1824 OE2 GLU A 118 1.799 -2.376 -9.492 1.00 0.00 O1- ATOM 0 H GLU A 118 5.039 1.074 -6.333 1.00 0.00 H new ATOM 0 HA GLU A 118 2.091 1.360 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 118 3.226 0.809 -8.431 1.00 0.00 H new ATOM 0 HB3 GLU A 118 3.698 -0.718 -7.713 1.00 0.00 H new ATOM 0 HG2 GLU A 118 1.321 -1.249 -7.271 1.00 0.00 H new ATOM 0 HG3 GLU A 118 0.844 0.282 -7.977 1.00 0.00 H new ATOM 1831 N LEU A 119 2.006 -0.192 -4.296 1.00 0.00 N ATOM 1832 CA LEU A 119 1.929 -1.064 -3.139 1.00 0.00 C ATOM 1833 C LEU A 119 0.591 -1.776 -3.100 1.00 0.00 C ATOM 1834 O LEU A 119 -0.406 -1.261 -3.609 1.00 0.00 O ATOM 1835 CB LEU A 119 2.167 -0.265 -1.845 1.00 0.00 C ATOM 1836 CG LEU A 119 1.922 1.252 -1.936 1.00 0.00 C ATOM 1837 CD1 LEU A 119 0.438 1.587 -1.987 1.00 0.00 C ATOM 1838 CD2 LEU A 119 2.597 1.979 -0.782 1.00 0.00 C ATOM 0 H LEU A 119 1.267 0.509 -4.344 1.00 0.00 H new ATOM 0 HA LEU A 119 2.712 -1.818 -3.219 1.00 0.00 H new ATOM 0 HB2 LEU A 119 1.522 -0.671 -1.066 1.00 0.00 H new ATOM 0 HB3 LEU A 119 3.196 -0.429 -1.524 1.00 0.00 H new ATOM 0 HG LEU A 119 2.366 1.595 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 119 0.311 2.668 -2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -0.011 1.117 -2.862 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -0.050 1.217 -1.085 1.00 0.00 H new ATOM 0 HD21 LEU A 119 2.410 3.049 -0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.194 1.615 0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.671 1.794 -0.814 1.00 0.00 H new ATOM 1850 N THR A 120 0.576 -2.973 -2.534 1.00 0.00 N ATOM 1851 CA THR A 120 -0.659 -3.706 -2.369 1.00 0.00 C ATOM 1852 C THR A 120 -1.142 -3.603 -0.931 1.00 0.00 C ATOM 1853 O THR A 120 -0.462 -4.029 0.009 1.00 0.00 O ATOM 1854 CB THR A 120 -0.508 -5.182 -2.759 1.00 0.00 C ATOM 1855 OG1 THR A 120 0.052 -5.281 -4.076 1.00 0.00 O ATOM 1856 CG2 THR A 120 -1.860 -5.874 -2.723 1.00 0.00 C ATOM 0 H THR A 120 1.405 -3.452 -2.184 1.00 0.00 H new ATOM 0 HA THR A 120 -1.394 -3.258 -3.037 1.00 0.00 H new ATOM 0 HB THR A 120 0.158 -5.669 -2.046 1.00 0.00 H new ATOM 0 HG1 THR A 120 0.148 -6.225 -4.320 1.00 0.00 H new ATOM 0 HG21 THR A 120 -1.740 -6.921 -3.002 1.00 0.00 H new ATOM 0 HG22 THR A 120 -2.274 -5.811 -1.717 1.00 0.00 H new ATOM 0 HG23 THR A 120 -2.537 -5.387 -3.425 1.00 0.00 H new ATOM 1864 N LEU A 121 -2.317 -3.036 -0.774 1.00 0.00 N ATOM 1865 CA LEU A 121 -2.882 -2.769 0.533 1.00 0.00 C ATOM 1866 C LEU A 121 -4.153 -3.589 0.673 1.00 0.00 C ATOM 1867 O LEU A 121 -5.052 -3.483 -0.160 1.00 0.00 O ATOM 1868 CB LEU A 121 -3.229 -1.267 0.709 1.00 0.00 C ATOM 1869 CG LEU A 121 -2.217 -0.232 0.168 1.00 0.00 C ATOM 1870 CD1 LEU A 121 -0.819 -0.466 0.720 1.00 0.00 C ATOM 1871 CD2 LEU A 121 -2.223 -0.223 -1.349 1.00 0.00 C ATOM 0 H LEU A 121 -2.911 -2.745 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 121 -2.149 -3.036 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -4.188 -1.085 0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -3.368 -1.077 1.773 1.00 0.00 H new ATOM 0 HG LEU A 121 -2.530 0.753 0.514 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -0.138 0.283 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -0.839 -0.388 1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -0.477 -1.460 0.434 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -1.504 0.512 -1.711 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -1.950 -1.211 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -3.219 0.037 -1.707 1.00 0.00 H new ATOM 1883 N PRO A 122 -4.249 -4.440 1.693 1.00 0.00 N ATOM 1884 CA PRO A 122 -5.445 -5.241 1.908 1.00 0.00 C ATOM 1885 C PRO A 122 -6.581 -4.407 2.480 1.00 0.00 C ATOM 1886 O PRO A 122 -6.454 -3.813 3.557 1.00 0.00 O ATOM 1887 CB PRO A 122 -5.002 -6.313 2.917 1.00 0.00 C ATOM 1888 CG PRO A 122 -3.528 -6.124 3.103 1.00 0.00 C ATOM 1889 CD PRO A 122 -3.224 -4.710 2.702 1.00 0.00 C ATOM 0 HA PRO A 122 -5.827 -5.663 0.978 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -5.532 -6.201 3.863 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -5.223 -7.313 2.545 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -3.242 -6.303 4.139 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -2.966 -6.830 2.491 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -3.295 -4.024 3.546 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -2.218 -4.611 2.295 1.00 0.00 H new ATOM 1897 N ILE A 123 -7.685 -4.351 1.753 1.00 0.00 N ATOM 1898 CA ILE A 123 -8.863 -3.659 2.234 1.00 0.00 C ATOM 1899 C ILE A 123 -9.874 -4.705 2.695 1.00 0.00 C ATOM 1900 O ILE A 123 -10.330 -5.543 1.913 1.00 0.00 O ATOM 1901 CB ILE A 123 -9.476 -2.687 1.165 1.00 0.00 C ATOM 1902 CG1 ILE A 123 -10.383 -3.403 0.158 1.00 0.00 C ATOM 1903 CG2 ILE A 123 -8.368 -1.953 0.409 1.00 0.00 C ATOM 1904 CD1 ILE A 123 -11.053 -2.462 -0.819 1.00 0.00 C ATOM 0 H ILE A 123 -7.787 -4.776 0.831 1.00 0.00 H new ATOM 0 HA ILE A 123 -8.581 -3.019 3.070 1.00 0.00 H new ATOM 0 HB ILE A 123 -10.090 -1.975 1.717 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -9.793 -4.132 -0.397 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -11.149 -3.958 0.700 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -8.812 -1.284 -0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -7.770 -1.373 1.112 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.731 -2.678 -0.097 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -11.680 -3.034 -1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -11.669 -1.748 -0.272 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -10.293 -1.925 -1.386 1.00 0.00 H new ATOM 1916 N ASP A 124 -10.166 -4.726 3.980 1.00 0.00 N ATOM 1917 CA ASP A 124 -11.062 -5.740 4.496 1.00 0.00 C ATOM 1918 C ASP A 124 -12.305 -5.130 5.118 1.00 0.00 C ATOM 1919 O ASP A 124 -12.241 -4.241 5.968 1.00 0.00 O ATOM 1920 CB ASP A 124 -10.349 -6.649 5.510 1.00 0.00 C ATOM 1921 CG ASP A 124 -9.939 -5.936 6.786 1.00 0.00 C ATOM 1922 OD1 ASP A 124 -8.845 -5.337 6.810 1.00 0.00 O1- ATOM 1923 OD2 ASP A 124 -10.697 -6.000 7.777 1.00 0.00 O ATOM 0 H ASP A 124 -9.806 -4.069 4.672 1.00 0.00 H new ATOM 0 HA ASP A 124 -11.376 -6.348 3.647 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -11.006 -7.481 5.764 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -9.462 -7.075 5.041 1.00 0.00 H new ATOM 1928 N PHE A 125 -13.433 -5.586 4.625 1.00 0.00 N ATOM 1929 CA PHE A 125 -14.714 -5.342 5.240 1.00 0.00 C ATOM 1930 C PHE A 125 -15.259 -6.675 5.722 1.00 0.00 C ATOM 1931 O PHE A 125 -15.244 -7.651 4.973 1.00 0.00 O ATOM 1932 CB PHE A 125 -15.663 -4.677 4.241 1.00 0.00 C ATOM 1933 CG PHE A 125 -15.201 -3.321 3.784 1.00 0.00 C ATOM 1934 CD1 PHE A 125 -15.534 -2.182 4.499 1.00 0.00 C ATOM 1935 CD2 PHE A 125 -14.433 -3.187 2.638 1.00 0.00 C ATOM 1936 CE1 PHE A 125 -15.110 -0.937 4.079 1.00 0.00 C ATOM 1937 CE2 PHE A 125 -14.004 -1.943 2.214 1.00 0.00 C ATOM 1938 CZ PHE A 125 -14.344 -0.817 2.934 1.00 0.00 C ATOM 0 H PHE A 125 -13.486 -6.145 3.773 1.00 0.00 H new ATOM 0 HA PHE A 125 -14.613 -4.662 6.086 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -15.775 -5.325 3.372 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -16.648 -4.581 4.697 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -16.132 -2.269 5.394 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -14.166 -4.065 2.069 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -15.377 -0.057 4.645 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -13.404 -1.853 1.321 1.00 0.00 H new ATOM 0 HZ PHE A 125 -14.013 0.157 2.604 1.00 0.00 H new ATOM 1948 N SER A 126 -15.708 -6.728 6.966 1.00 0.00 N ATOM 1949 CA SER A 126 -16.147 -7.983 7.565 1.00 0.00 C ATOM 1950 C SER A 126 -17.318 -8.589 6.789 1.00 0.00 C ATOM 1951 O SER A 126 -18.456 -8.138 6.924 1.00 0.00 O ATOM 1952 CB SER A 126 -16.551 -7.739 9.023 1.00 0.00 C ATOM 1953 OG SER A 126 -15.490 -7.139 9.753 1.00 0.00 O ATOM 0 H SER A 126 -15.779 -5.918 7.582 1.00 0.00 H new ATOM 0 HA SER A 126 -15.320 -8.692 7.527 1.00 0.00 H new ATOM 0 HB2 SER A 126 -17.430 -7.095 9.057 1.00 0.00 H new ATOM 0 HB3 SER A 126 -16.829 -8.684 9.490 1.00 0.00 H new ATOM 0 HG SER A 126 -15.773 -6.992 10.680 1.00 0.00 H new ATOM 1959 N LEU A 127 -17.031 -9.615 5.983 1.00 0.00 N ATOM 1960 CA LEU A 127 -18.069 -10.304 5.218 1.00 0.00 C ATOM 1961 C LEU A 127 -18.866 -11.233 6.119 1.00 0.00 C ATOM 1962 O LEU A 127 -18.543 -12.411 6.274 1.00 0.00 O ATOM 1963 CB LEU A 127 -17.471 -11.083 4.040 1.00 0.00 C ATOM 1964 CG LEU A 127 -17.722 -10.472 2.655 1.00 0.00 C ATOM 1965 CD1 LEU A 127 -16.945 -11.230 1.591 1.00 0.00 C ATOM 1966 CD2 LEU A 127 -19.211 -10.470 2.317 1.00 0.00 C ATOM 0 H LEU A 127 -16.090 -9.985 5.845 1.00 0.00 H new ATOM 0 HA LEU A 127 -18.741 -9.548 4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -16.395 -11.169 4.191 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -17.876 -12.095 4.052 1.00 0.00 H new ATOM 0 HG LEU A 127 -17.375 -9.439 2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -17.134 -10.784 0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -15.879 -11.178 1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -17.264 -12.272 1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -19.360 -10.032 1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -19.586 -11.493 2.320 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -19.752 -9.884 3.060 1.00 0.00 H new ATOM 1978 N ARG A 128 -19.898 -10.676 6.722 1.00 0.00 N ATOM 1979 CA ARG A 128 -20.775 -11.402 7.610 1.00 0.00 C ATOM 1980 C ARG A 128 -21.797 -12.203 6.814 1.00 0.00 C ATOM 1981 O ARG A 128 -22.079 -13.359 7.132 1.00 0.00 O ATOM 1982 CB ARG A 128 -21.479 -10.404 8.522 1.00 0.00 C ATOM 1983 CG ARG A 128 -20.527 -9.612 9.404 1.00 0.00 C ATOM 1984 CD ARG A 128 -21.201 -8.380 9.986 1.00 0.00 C ATOM 1985 NE ARG A 128 -22.425 -8.713 10.710 1.00 0.00 N ATOM 1986 CZ ARG A 128 -23.582 -8.081 10.536 1.00 0.00 C ATOM 1987 NH1 ARG A 128 -23.687 -7.103 9.642 1.00 0.00 N1+ ATOM 1988 NH2 ARG A 128 -24.640 -8.427 11.255 1.00 0.00 N ATOM 0 H ARG A 128 -20.151 -9.695 6.606 1.00 0.00 H new ATOM 0 HA ARG A 128 -20.192 -12.103 8.208 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -22.057 -9.711 7.911 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -22.188 -10.939 9.154 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -20.166 -10.247 10.213 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -19.656 -9.311 8.822 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -20.509 -7.873 10.659 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -21.434 -7.681 9.182 1.00 0.00 H new ATOM 0 HE ARG A 128 -22.390 -9.474 11.388 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -22.877 -6.833 9.084 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -24.578 -6.623 9.514 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -24.567 -9.178 11.942 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -25.528 -7.943 11.122 1.00 0.00 H new ATOM 2002 N GLY A 129 -22.341 -11.585 5.771 1.00 0.00 N ATOM 2003 CA GLY A 129 -23.332 -12.250 4.953 1.00 0.00 C ATOM 2004 C GLY A 129 -23.647 -11.479 3.688 1.00 0.00 C ATOM 2005 O GLY A 129 -24.810 -11.186 3.403 1.00 0.00 O ATOM 0 H GLY A 129 -22.112 -10.635 5.479 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -22.973 -13.245 4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -24.246 -12.384 5.531 1.00 0.00 H new ATOM 2009 N ALA A 130 -22.610 -11.129 2.940 1.00 0.00 N ATOM 2010 CA ALA A 130 -22.778 -10.441 1.668 1.00 0.00 C ATOM 2011 C ALA A 130 -22.088 -11.220 0.552 1.00 0.00 C ATOM 2012 O ALA A 130 -21.874 -12.424 0.670 1.00 0.00 O ATOM 2013 CB ALA A 130 -22.232 -9.021 1.744 1.00 0.00 C ATOM 0 H ALA A 130 -21.639 -11.311 3.194 1.00 0.00 H new ATOM 0 HA ALA A 130 -23.844 -10.382 1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 130 -22.369 -8.527 0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 130 -22.766 -8.467 2.516 1.00 0.00 H new ATOM 0 HB3 ALA A 130 -21.170 -9.052 1.988 1.00 0.00 H new ATOM 2019 N GLY A 131 -21.739 -10.530 -0.523 1.00 0.00 N ATOM 2020 CA GLY A 131 -21.144 -11.192 -1.668 1.00 0.00 C ATOM 2021 C GLY A 131 -22.145 -11.339 -2.782 1.00 0.00 C ATOM 2022 O GLY A 131 -21.809 -11.743 -3.897 1.00 0.00 O ATOM 0 H GLY A 131 -21.857 -9.522 -0.624 1.00 0.00 H new ATOM 0 HA2 GLY A 131 -20.285 -10.620 -2.018 1.00 0.00 H new ATOM 0 HA3 GLY A 131 -20.774 -12.174 -1.374 1.00 0.00 H new ATOM 2026 N PHE A 132 -23.377 -10.984 -2.471 1.00 0.00 N ATOM 2027 CA PHE A 132 -24.474 -11.092 -3.405 1.00 0.00 C ATOM 2028 C PHE A 132 -24.722 -9.752 -4.085 1.00 0.00 C ATOM 2029 O PHE A 132 -24.683 -8.715 -3.390 1.00 0.00 O ATOM 2030 CB PHE A 132 -25.731 -11.592 -2.682 1.00 0.00 C ATOM 2031 CG PHE A 132 -26.262 -10.662 -1.621 1.00 0.00 C ATOM 2032 CD1 PHE A 132 -25.712 -10.655 -0.347 1.00 0.00 C ATOM 2033 CD2 PHE A 132 -27.313 -9.799 -1.893 1.00 0.00 C ATOM 2034 CE1 PHE A 132 -26.199 -9.809 0.630 1.00 0.00 C ATOM 2035 CE2 PHE A 132 -27.803 -8.951 -0.918 1.00 0.00 C ATOM 2036 CZ PHE A 132 -27.246 -8.956 0.344 1.00 0.00 C ATOM 2037 OXT PHE A 132 -24.952 -9.741 -5.314 1.00 0.00 O ATOM 0 H PHE A 132 -23.643 -10.612 -1.559 1.00 0.00 H new ATOM 0 HA PHE A 132 -24.217 -11.816 -4.178 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -26.514 -11.763 -3.421 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -25.510 -12.556 -2.223 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -24.893 -11.320 -0.117 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -27.754 -9.790 -2.879 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -25.761 -9.815 1.617 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -28.622 -8.284 -1.144 1.00 0.00 H new ATOM 0 HZ PHE A 132 -27.628 -8.294 1.107 1.00 0.00 H new TER 2047 PHE A 132