USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 811 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 62 HIS :FLIP no HD1:sc= -7.39! C(o=-17!,f=-12!) USER MOD Set 1.2: A 100 LYS NZ :NH3+ -136:sc= -4.69! (180deg=-4.25!) USER MOD Set 2.1: A 25 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -174:sc= 0 (180deg=-0.0359) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00439) USER MOD Single : A 17 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000481) USER MOD Single : A 18 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 20 ASN : amide:sc= -4.24! C(o=-4.2!,f=-5.1!) USER MOD Single : A 21 SER OG : rot -49:sc= -1.34! USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 32 LYS NZ :NH3+ -148:sc= -2.97 (180deg=-5.37!) USER MOD Single : A 36 ASN : amide:sc= -1.47 K(o=-1.5,f=-4.8!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 5:sc= 1.13 USER MOD Single : A 41 HIS : no HD1:sc= -2.03 K(o=-2,f=-3.3!) USER MOD Single : A 45 TYR OH : rot 34:sc= -0.799 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.48 X(o=-1.5,f=-1) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 160:sc= -0.575 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -1.83 F(o=-5.2!,f=-1.8) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN :FLIP amide:sc= -5.45! C(o=-7!,f=-5.5!) USER MOD Single : A 86 THR OG1 : rot -81:sc= -3.35! USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 95 HIS : no HD1:sc= -10.4! C(o=-10!,f=-11!) USER MOD Single : A 102 GLN : amide:sc= -2.47! C(o=-2.5!,f=-2.4!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.700 -9.446 -8.769 1.00 0.00 N ATOM 2 CA GLY A 1 20.337 -9.475 -10.114 1.00 0.00 C ATOM 3 C GLY A 1 19.410 -8.977 -11.206 1.00 0.00 C ATOM 4 O GLY A 1 19.838 -8.274 -12.121 1.00 0.00 O ATOM 0 H1 GLY A 1 20.404 -9.698 -8.046 1.00 0.00 H new ATOM 0 H2 GLY A 1 19.335 -8.491 -8.578 1.00 0.00 H new ATOM 0 H3 GLY A 1 18.916 -10.129 -8.742 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.238 -8.862 -10.099 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.649 -10.494 -10.343 1.00 0.00 H new ATOM 10 N SER A 2 18.136 -9.344 -11.110 1.00 0.00 N ATOM 11 CA SER A 2 17.145 -8.930 -12.097 1.00 0.00 C ATOM 12 C SER A 2 16.461 -7.635 -11.672 1.00 0.00 C ATOM 13 O SER A 2 16.063 -6.827 -12.511 1.00 0.00 O ATOM 14 CB SER A 2 16.101 -10.030 -12.295 1.00 0.00 C ATOM 15 OG SER A 2 15.706 -10.121 -13.653 1.00 0.00 O ATOM 0 H SER A 2 17.766 -9.927 -10.359 1.00 0.00 H new ATOM 0 HA SER A 2 17.661 -8.754 -13.041 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.509 -10.986 -11.967 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.230 -9.825 -11.673 1.00 0.00 H new ATOM 0 HG SER A 2 15.040 -10.833 -13.753 1.00 0.00 H new ATOM 21 N SER A 3 16.329 -7.443 -10.364 1.00 0.00 N ATOM 22 CA SER A 3 15.694 -6.245 -9.827 1.00 0.00 C ATOM 23 C SER A 3 14.245 -6.138 -10.299 1.00 0.00 C ATOM 24 O SER A 3 13.910 -5.278 -11.113 1.00 0.00 O ATOM 25 CB SER A 3 16.475 -4.997 -10.245 1.00 0.00 C ATOM 26 OG SER A 3 17.619 -4.815 -9.431 1.00 0.00 O ATOM 0 H SER A 3 16.653 -8.102 -9.656 1.00 0.00 H new ATOM 0 HA SER A 3 15.697 -6.318 -8.739 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.778 -5.086 -11.288 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.831 -4.120 -10.174 1.00 0.00 H new ATOM 0 HG SER A 3 18.101 -4.012 -9.720 1.00 0.00 H new ATOM 32 N PRO A 4 13.364 -7.017 -9.792 1.00 0.00 N ATOM 33 CA PRO A 4 11.946 -7.018 -10.165 1.00 0.00 C ATOM 34 C PRO A 4 11.198 -5.812 -9.604 1.00 0.00 C ATOM 35 O PRO A 4 11.735 -5.063 -8.788 1.00 0.00 O ATOM 36 CB PRO A 4 11.416 -8.312 -9.544 1.00 0.00 C ATOM 37 CG PRO A 4 12.327 -8.581 -8.397 1.00 0.00 C ATOM 38 CD PRO A 4 13.679 -8.077 -8.815 1.00 0.00 C ATOM 0 HA PRO A 4 11.809 -6.960 -11.245 1.00 0.00 H new ATOM 0 HB2 PRO A 4 10.384 -8.198 -9.212 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.431 -9.131 -10.263 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.982 -8.072 -7.497 1.00 0.00 H new ATOM 0 HG3 PRO A 4 12.361 -9.646 -8.168 1.00 0.00 H new ATOM 0 HD2 PRO A 4 14.242 -7.687 -7.967 1.00 0.00 H new ATOM 0 HD3 PRO A 4 14.282 -8.868 -9.261 1.00 0.00 H new ATOM 46 N PRO A 5 9.941 -5.608 -10.036 1.00 0.00 N ATOM 47 CA PRO A 5 9.119 -4.484 -9.571 1.00 0.00 C ATOM 48 C PRO A 5 8.730 -4.623 -8.104 1.00 0.00 C ATOM 49 O PRO A 5 8.144 -5.628 -7.699 1.00 0.00 O ATOM 50 CB PRO A 5 7.878 -4.555 -10.464 1.00 0.00 C ATOM 51 CG PRO A 5 7.802 -5.978 -10.897 1.00 0.00 C ATOM 52 CD PRO A 5 9.223 -6.453 -11.008 1.00 0.00 C ATOM 0 HA PRO A 5 9.651 -3.535 -9.637 1.00 0.00 H new ATOM 0 HB2 PRO A 5 6.981 -4.259 -9.920 1.00 0.00 H new ATOM 0 HB3 PRO A 5 7.967 -3.885 -11.319 1.00 0.00 H new ATOM 0 HG2 PRO A 5 7.246 -6.576 -10.175 1.00 0.00 H new ATOM 0 HG3 PRO A 5 7.285 -6.068 -11.852 1.00 0.00 H new ATOM 0 HD2 PRO A 5 9.313 -7.512 -10.764 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.612 -6.324 -12.018 1.00 0.00 H new ATOM 60 N LYS A 6 9.057 -3.608 -7.312 1.00 0.00 N ATOM 61 CA LYS A 6 8.741 -3.617 -5.887 1.00 0.00 C ATOM 62 C LYS A 6 7.922 -2.415 -5.500 1.00 0.00 C ATOM 63 O LYS A 6 7.828 -1.437 -6.241 1.00 0.00 O ATOM 64 CB LYS A 6 10.019 -3.690 -5.047 1.00 0.00 C ATOM 65 CG LYS A 6 10.306 -5.078 -4.498 1.00 0.00 C ATOM 66 CD LYS A 6 10.747 -6.032 -5.596 1.00 0.00 C ATOM 67 CE LYS A 6 10.215 -7.436 -5.361 1.00 0.00 C ATOM 68 NZ LYS A 6 10.782 -8.045 -4.125 1.00 0.00 N ATOM 0 H LYS A 6 9.540 -2.769 -7.632 1.00 0.00 H new ATOM 0 HA LYS A 6 8.145 -4.507 -5.687 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.863 -3.367 -5.656 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.939 -2.989 -4.216 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.083 -5.015 -3.736 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.413 -5.470 -4.012 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.396 -5.665 -6.561 1.00 0.00 H new ATOM 0 HD3 LYS A 6 11.836 -6.057 -5.642 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.128 -7.404 -5.285 1.00 0.00 H new ATOM 0 HE3 LYS A 6 10.456 -8.064 -6.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.421 -9.014 -4.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.819 -8.068 -4.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.502 -7.479 -3.299 1.00 0.00 H new ATOM 82 N PRO A 7 7.281 -2.499 -4.334 1.00 0.00 N ATOM 83 CA PRO A 7 6.423 -1.439 -3.854 1.00 0.00 C ATOM 84 C PRO A 7 7.161 -0.109 -3.718 1.00 0.00 C ATOM 85 O PRO A 7 8.381 -0.049 -3.867 1.00 0.00 O ATOM 86 CB PRO A 7 5.927 -1.944 -2.496 1.00 0.00 C ATOM 87 CG PRO A 7 6.115 -3.421 -2.544 1.00 0.00 C ATOM 88 CD PRO A 7 7.313 -3.651 -3.415 1.00 0.00 C ATOM 0 HA PRO A 7 5.610 -1.232 -4.549 1.00 0.00 H new ATOM 0 HB2 PRO A 7 6.494 -1.500 -1.678 1.00 0.00 H new ATOM 0 HB3 PRO A 7 4.881 -1.684 -2.336 1.00 0.00 H new ATOM 0 HG2 PRO A 7 6.274 -3.828 -1.545 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.233 -3.915 -2.953 1.00 0.00 H new ATOM 0 HD2 PRO A 7 8.235 -3.678 -2.834 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.246 -4.597 -3.952 1.00 0.00 H new ATOM 96 N GLY A 8 6.413 0.959 -3.457 1.00 0.00 N ATOM 97 CA GLY A 8 7.014 2.276 -3.335 1.00 0.00 C ATOM 98 C GLY A 8 6.632 3.155 -4.508 1.00 0.00 C ATOM 99 O GLY A 8 7.352 4.087 -4.867 1.00 0.00 O ATOM 0 H GLY A 8 5.401 0.936 -3.328 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.690 2.743 -2.405 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.099 2.182 -3.284 1.00 0.00 H new ATOM 103 N ASP A 9 5.500 2.820 -5.120 1.00 0.00 N ATOM 104 CA ASP A 9 4.985 3.512 -6.282 1.00 0.00 C ATOM 105 C ASP A 9 3.797 2.726 -6.778 1.00 0.00 C ATOM 106 O ASP A 9 2.964 2.284 -5.985 1.00 0.00 O ATOM 107 CB ASP A 9 6.070 3.626 -7.347 1.00 0.00 C ATOM 108 CG ASP A 9 6.168 5.023 -7.928 1.00 0.00 C ATOM 109 OD1 ASP A 9 5.120 5.689 -8.054 1.00 0.00 O ATOM 110 OD2 ASP A 9 7.295 5.450 -8.259 1.00 0.00 O ATOM 0 H ASP A 9 4.910 2.047 -4.812 1.00 0.00 H new ATOM 0 HA ASP A 9 4.677 4.528 -6.035 1.00 0.00 H new ATOM 0 HB2 ASP A 9 7.031 3.348 -6.914 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.864 2.916 -8.148 1.00 0.00 H new ATOM 115 N ILE A 10 3.722 2.538 -8.060 1.00 0.00 N ATOM 116 CA ILE A 10 2.636 1.786 -8.624 1.00 0.00 C ATOM 117 C ILE A 10 2.905 0.284 -8.451 1.00 0.00 C ATOM 118 O ILE A 10 3.654 -0.338 -9.204 1.00 0.00 O ATOM 119 CB ILE A 10 2.503 2.165 -10.118 1.00 0.00 C ATOM 120 CG1 ILE A 10 1.052 2.059 -10.589 1.00 0.00 C ATOM 121 CG2 ILE A 10 3.420 1.332 -11.006 1.00 0.00 C ATOM 122 CD1 ILE A 10 0.378 0.761 -10.197 1.00 0.00 C ATOM 0 H ILE A 10 4.397 2.893 -8.737 1.00 0.00 H new ATOM 0 HA ILE A 10 1.701 2.018 -8.115 1.00 0.00 H new ATOM 0 HB ILE A 10 2.818 3.204 -10.209 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.484 2.892 -10.176 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.023 2.160 -11.674 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.292 1.633 -12.046 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.457 1.489 -10.708 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.168 0.277 -10.901 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.648 0.758 -10.565 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.922 -0.077 -10.632 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.374 0.667 -9.111 1.00 0.00 H new ATOM 134 N PHE A 11 2.267 -0.284 -7.433 1.00 0.00 N ATOM 135 CA PHE A 11 2.390 -1.704 -7.118 1.00 0.00 C ATOM 136 C PHE A 11 1.027 -2.386 -7.211 1.00 0.00 C ATOM 137 O PHE A 11 0.039 -1.821 -6.767 1.00 0.00 O ATOM 138 CB PHE A 11 2.999 -1.883 -5.722 1.00 0.00 C ATOM 139 CG PHE A 11 2.854 -3.260 -5.170 1.00 0.00 C ATOM 140 CD1 PHE A 11 3.169 -4.362 -5.941 1.00 0.00 C ATOM 141 CD2 PHE A 11 2.399 -3.450 -3.879 1.00 0.00 C ATOM 142 CE1 PHE A 11 3.028 -5.633 -5.434 1.00 0.00 C ATOM 143 CE2 PHE A 11 2.257 -4.717 -3.366 1.00 0.00 C ATOM 144 CZ PHE A 11 2.570 -5.807 -4.146 1.00 0.00 C ATOM 0 H PHE A 11 1.649 0.227 -6.802 1.00 0.00 H new ATOM 0 HA PHE A 11 3.054 -2.173 -7.844 1.00 0.00 H new ATOM 0 HB2 PHE A 11 4.058 -1.629 -5.763 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.528 -1.177 -5.038 1.00 0.00 H new ATOM 0 HD1 PHE A 11 3.529 -4.225 -6.950 1.00 0.00 H new ATOM 0 HD2 PHE A 11 2.153 -2.595 -3.267 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.275 -6.490 -6.042 1.00 0.00 H new ATOM 0 HE2 PHE A 11 1.902 -4.857 -2.356 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.456 -6.804 -3.746 1.00 0.00 H new ATOM 154 N GLU A 12 0.965 -3.602 -7.742 1.00 0.00 N ATOM 155 CA GLU A 12 -0.293 -4.309 -7.826 1.00 0.00 C ATOM 156 C GLU A 12 -0.224 -5.585 -6.991 1.00 0.00 C ATOM 157 O GLU A 12 0.863 -6.134 -6.825 1.00 0.00 O ATOM 158 CB GLU A 12 -0.666 -4.591 -9.287 1.00 0.00 C ATOM 159 CG GLU A 12 -0.322 -5.994 -9.773 1.00 0.00 C ATOM 160 CD GLU A 12 1.157 -6.164 -10.060 1.00 0.00 C ATOM 161 OE1 GLU A 12 1.978 -5.633 -9.282 1.00 0.00 O ATOM 162 OE2 GLU A 12 1.494 -6.827 -11.062 1.00 0.00 O ATOM 0 H GLU A 12 1.767 -4.109 -8.116 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.086 -3.683 -7.416 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.737 -4.430 -9.412 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.159 -3.866 -9.924 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.628 -6.721 -9.021 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.891 -6.211 -10.677 1.00 0.00 H new ATOM 169 N VAL A 13 -1.351 -6.071 -6.431 1.00 0.00 N ATOM 170 CA VAL A 13 -1.268 -7.253 -5.621 1.00 0.00 C ATOM 171 C VAL A 13 -2.249 -8.299 -6.094 1.00 0.00 C ATOM 172 O VAL A 13 -3.465 -8.144 -5.984 1.00 0.00 O ATOM 173 CB VAL A 13 -1.515 -6.875 -4.148 1.00 0.00 C ATOM 174 CG1 VAL A 13 -0.902 -5.512 -3.862 1.00 0.00 C ATOM 175 CG2 VAL A 13 -2.996 -6.864 -3.795 1.00 0.00 C ATOM 0 H VAL A 13 -2.282 -5.667 -6.531 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.271 -7.685 -5.711 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.041 -7.636 -3.528 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.077 -5.246 -2.820 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.171 -5.548 -4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.360 -4.764 -4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.118 -6.592 -2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.514 -6.137 -4.421 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.418 -7.855 -3.964 1.00 0.00 H new ATOM 185 N GLU A 14 -1.713 -9.359 -6.654 1.00 0.00 N ATOM 186 CA GLU A 14 -2.536 -10.407 -7.163 1.00 0.00 C ATOM 187 C GLU A 14 -2.348 -11.732 -6.430 1.00 0.00 C ATOM 188 O GLU A 14 -1.241 -12.267 -6.360 1.00 0.00 O ATOM 189 CB GLU A 14 -2.221 -10.636 -8.604 1.00 0.00 C ATOM 190 CG GLU A 14 -0.849 -11.234 -8.842 1.00 0.00 C ATOM 191 CD GLU A 14 -0.415 -11.150 -10.293 1.00 0.00 C ATOM 192 OE1 GLU A 14 -0.914 -10.259 -11.011 1.00 0.00 O ATOM 193 OE2 GLU A 14 0.424 -11.975 -10.710 1.00 0.00 O ATOM 0 H GLU A 14 -0.710 -9.509 -6.764 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.566 -10.082 -7.018 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.975 -11.298 -9.030 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -2.291 -9.688 -9.137 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.119 -10.717 -8.219 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.853 -12.278 -8.529 1.00 0.00 H new ATOM 200 N LEU A 15 -3.446 -12.279 -5.979 1.00 0.00 N ATOM 201 CA LEU A 15 -3.493 -13.585 -5.326 1.00 0.00 C ATOM 202 C LEU A 15 -4.777 -14.298 -5.704 1.00 0.00 C ATOM 203 O LEU A 15 -5.824 -13.670 -5.860 1.00 0.00 O ATOM 204 CB LEU A 15 -3.382 -13.484 -3.801 1.00 0.00 C ATOM 205 CG LEU A 15 -2.064 -14.018 -3.263 1.00 0.00 C ATOM 206 CD1 LEU A 15 -1.949 -15.516 -3.514 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.934 -13.261 -3.929 1.00 0.00 C ATOM 0 H LEU A 15 -4.359 -11.829 -6.051 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.631 -14.154 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.494 -12.442 -3.503 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.204 -14.036 -3.345 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.013 -13.869 -2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.999 -15.879 -3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.769 -16.033 -3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.997 -15.710 -4.586 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.021 -13.630 -3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.983 -13.409 -5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.025 -12.198 -3.704 1.00 0.00 H new ATOM 219 N ALA A 16 -4.699 -15.611 -5.835 1.00 0.00 N ATOM 220 CA ALA A 16 -5.853 -16.403 -6.176 1.00 0.00 C ATOM 221 C ALA A 16 -6.284 -17.157 -4.948 1.00 0.00 C ATOM 222 O ALA A 16 -5.473 -17.869 -4.360 1.00 0.00 O ATOM 223 CB ALA A 16 -5.509 -17.354 -7.305 1.00 0.00 C ATOM 0 H ALA A 16 -3.841 -16.147 -5.708 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.669 -15.766 -6.515 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.386 -17.950 -7.558 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.194 -16.783 -8.178 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.700 -18.014 -6.991 1.00 0.00 H new ATOM 229 N LYS A 17 -7.535 -16.986 -4.531 1.00 0.00 N ATOM 230 CA LYS A 17 -8.000 -17.669 -3.323 1.00 0.00 C ATOM 231 C LYS A 17 -7.466 -19.090 -3.283 1.00 0.00 C ATOM 232 O LYS A 17 -8.075 -20.018 -3.816 1.00 0.00 O ATOM 233 CB LYS A 17 -9.517 -17.694 -3.204 1.00 0.00 C ATOM 234 CG LYS A 17 -9.975 -18.483 -1.993 1.00 0.00 C ATOM 235 CD LYS A 17 -10.808 -19.692 -2.390 1.00 0.00 C ATOM 236 CE LYS A 17 -11.383 -20.397 -1.171 1.00 0.00 C ATOM 237 NZ LYS A 17 -10.328 -21.091 -0.383 1.00 0.00 N ATOM 0 H LYS A 17 -8.229 -16.399 -4.994 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.616 -17.099 -2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.893 -16.673 -3.136 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.945 -18.132 -4.106 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.106 -18.811 -1.423 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.560 -17.837 -1.338 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.620 -19.377 -3.046 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.192 -20.389 -2.958 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.891 -19.670 -0.537 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.133 -21.121 -1.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.762 -21.573 0.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.849 -21.791 -0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.635 -20.395 -0.042 1.00 0.00 H new ATOM 251 N ASN A 18 -6.309 -19.237 -2.666 1.00 0.00 N ATOM 252 CA ASN A 18 -5.661 -20.548 -2.576 1.00 0.00 C ATOM 253 C ASN A 18 -5.135 -20.827 -1.176 1.00 0.00 C ATOM 254 O ASN A 18 -5.514 -21.812 -0.542 1.00 0.00 O ATOM 255 CB ASN A 18 -4.516 -20.639 -3.586 1.00 0.00 C ATOM 256 CG ASN A 18 -4.270 -22.060 -4.055 1.00 0.00 C ATOM 257 OD1 ASN A 18 -4.255 -22.996 -3.255 1.00 0.00 O ATOM 258 ND2 ASN A 18 -4.075 -22.228 -5.357 1.00 0.00 N ATOM 0 H ASN A 18 -5.795 -18.477 -2.220 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.415 -21.301 -2.805 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.743 -20.010 -4.446 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.605 -20.245 -3.135 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.904 -23.162 -5.731 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -4.096 -21.424 -5.984 1.00 0.00 H new ATOM 265 N ASP A 19 -4.273 -19.947 -0.692 1.00 0.00 N ATOM 266 CA ASP A 19 -3.703 -20.084 0.642 1.00 0.00 C ATOM 267 C ASP A 19 -4.034 -18.846 1.431 1.00 0.00 C ATOM 268 O ASP A 19 -4.360 -18.893 2.617 1.00 0.00 O ATOM 269 CB ASP A 19 -2.189 -20.291 0.573 1.00 0.00 C ATOM 270 CG ASP A 19 -1.682 -21.214 1.663 1.00 0.00 C ATOM 271 OD1 ASP A 19 -1.998 -20.966 2.846 1.00 0.00 O ATOM 272 OD2 ASP A 19 -0.968 -22.185 1.335 1.00 0.00 O ATOM 0 H ASP A 19 -3.951 -19.126 -1.204 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.128 -20.960 1.131 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.925 -20.704 -0.401 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.689 -19.326 0.656 1.00 0.00 H new ATOM 277 N ASN A 20 -3.989 -17.751 0.714 1.00 0.00 N ATOM 278 CA ASN A 20 -4.315 -16.454 1.230 1.00 0.00 C ATOM 279 C ASN A 20 -4.467 -15.520 0.059 1.00 0.00 C ATOM 280 O ASN A 20 -3.908 -15.768 -1.010 1.00 0.00 O ATOM 281 CB ASN A 20 -3.248 -15.926 2.186 1.00 0.00 C ATOM 282 CG ASN A 20 -3.239 -16.663 3.512 1.00 0.00 C ATOM 283 OD1 ASN A 20 -4.285 -16.873 4.126 1.00 0.00 O ATOM 284 ND2 ASN A 20 -2.053 -17.058 3.961 1.00 0.00 N ATOM 0 H ASN A 20 -3.717 -17.742 -0.269 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.240 -16.523 1.803 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.268 -16.016 1.717 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.419 -14.864 2.365 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -1.984 -17.557 4.848 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.211 -16.862 3.419 1.00 0.00 H new ATOM 291 N SER A 21 -5.219 -14.462 0.235 1.00 0.00 N ATOM 292 CA SER A 21 -5.420 -13.535 -0.850 1.00 0.00 C ATOM 293 C SER A 21 -6.053 -12.274 -0.294 1.00 0.00 C ATOM 294 O SER A 21 -6.894 -11.632 -0.923 1.00 0.00 O ATOM 295 CB SER A 21 -6.294 -14.199 -1.924 1.00 0.00 C ATOM 296 OG SER A 21 -6.259 -13.472 -3.140 1.00 0.00 O ATOM 0 H SER A 21 -5.695 -14.224 1.105 1.00 0.00 H new ATOM 0 HA SER A 21 -4.475 -13.263 -1.319 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.949 -15.218 -2.097 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.322 -14.267 -1.568 1.00 0.00 H new ATOM 0 HG SER A 21 -6.423 -12.523 -2.959 1.00 0.00 H new ATOM 302 N LEU A 22 -5.638 -11.969 0.928 1.00 0.00 N ATOM 303 CA LEU A 22 -6.134 -10.838 1.685 1.00 0.00 C ATOM 304 C LEU A 22 -5.690 -10.998 3.126 1.00 0.00 C ATOM 305 O LEU A 22 -5.110 -12.014 3.485 1.00 0.00 O ATOM 306 CB LEU A 22 -7.640 -10.870 1.752 1.00 0.00 C ATOM 307 CG LEU A 22 -8.080 -11.536 3.052 1.00 0.00 C ATOM 308 CD1 LEU A 22 -9.002 -10.623 3.848 1.00 0.00 C ATOM 309 CD2 LEU A 22 -8.736 -12.882 2.784 1.00 0.00 C ATOM 0 H LEU A 22 -4.934 -12.514 1.426 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.769 -9.927 1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.038 -9.857 1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.041 -11.416 0.898 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.189 -11.716 3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.301 -11.122 4.770 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.478 -9.698 4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.888 -10.394 3.256 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.039 -13.333 3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.612 -12.740 2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.027 -13.538 2.279 1.00 0.00 H new ATOM 321 N GLY A 23 -6.048 -10.038 3.961 1.00 0.00 N ATOM 322 CA GLY A 23 -5.742 -10.129 5.374 1.00 0.00 C ATOM 323 C GLY A 23 -5.459 -8.778 5.945 1.00 0.00 C ATOM 324 O GLY A 23 -4.581 -8.611 6.776 1.00 0.00 O ATOM 0 H GLY A 23 -6.548 -9.192 3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.579 -10.584 5.903 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.880 -10.779 5.523 1.00 0.00 H new ATOM 328 N ILE A 24 -6.191 -7.799 5.474 1.00 0.00 N ATOM 329 CA ILE A 24 -5.978 -6.443 5.928 1.00 0.00 C ATOM 330 C ILE A 24 -7.199 -5.849 6.596 1.00 0.00 C ATOM 331 O ILE A 24 -8.338 -6.163 6.246 1.00 0.00 O ATOM 332 CB ILE A 24 -5.541 -5.545 4.759 1.00 0.00 C ATOM 333 CG1 ILE A 24 -6.688 -5.374 3.759 1.00 0.00 C ATOM 334 CG2 ILE A 24 -4.315 -6.157 4.065 1.00 0.00 C ATOM 335 CD1 ILE A 24 -6.362 -4.433 2.620 1.00 0.00 C ATOM 0 H ILE A 24 -6.933 -7.911 4.783 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.186 -6.489 6.676 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.276 -4.562 5.148 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.951 -6.349 3.350 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.567 -5.002 4.286 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.009 -5.518 3.237 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.497 -6.242 4.780 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.568 -7.146 3.685 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.220 -4.360 1.951 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -6.128 -3.446 3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.503 -4.814 2.068 1.00 0.00 H new ATOM 347 N SER A 25 -6.946 -4.960 7.547 1.00 0.00 N ATOM 348 CA SER A 25 -7.995 -4.288 8.250 1.00 0.00 C ATOM 349 C SER A 25 -8.132 -2.890 7.688 1.00 0.00 C ATOM 350 O SER A 25 -7.197 -2.087 7.753 1.00 0.00 O ATOM 351 CB SER A 25 -7.730 -4.252 9.754 1.00 0.00 C ATOM 352 OG SER A 25 -8.134 -5.461 10.372 1.00 0.00 O ATOM 0 H SER A 25 -6.006 -4.695 7.842 1.00 0.00 H new ATOM 0 HA SER A 25 -8.928 -4.834 8.111 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.668 -4.084 9.935 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.266 -3.415 10.201 1.00 0.00 H new ATOM 0 HG SER A 25 -7.952 -5.413 11.334 1.00 0.00 H new ATOM 358 N VAL A 26 -9.283 -2.620 7.101 1.00 0.00 N ATOM 359 CA VAL A 26 -9.530 -1.336 6.481 1.00 0.00 C ATOM 360 C VAL A 26 -10.351 -0.430 7.388 1.00 0.00 C ATOM 361 O VAL A 26 -11.025 -0.896 8.308 1.00 0.00 O ATOM 362 CB VAL A 26 -10.250 -1.506 5.130 1.00 0.00 C ATOM 363 CG1 VAL A 26 -11.514 -2.336 5.297 1.00 0.00 C ATOM 364 CG2 VAL A 26 -10.569 -0.157 4.520 1.00 0.00 C ATOM 0 H VAL A 26 -10.062 -3.276 7.042 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.560 -0.869 6.310 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.582 -2.036 4.451 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.008 -2.445 4.332 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.254 -3.321 5.684 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.187 -1.838 5.995 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.077 -0.300 3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.215 0.404 5.195 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.644 0.397 4.359 1.00 0.00 H new ATOM 374 N THR A 27 -10.250 0.876 7.142 1.00 0.00 N ATOM 375 CA THR A 27 -10.938 1.878 7.950 1.00 0.00 C ATOM 376 C THR A 27 -10.136 2.135 9.222 1.00 0.00 C ATOM 377 O THR A 27 -10.518 2.947 10.065 1.00 0.00 O ATOM 378 CB THR A 27 -12.363 1.433 8.299 1.00 0.00 C ATOM 379 OG1 THR A 27 -12.988 0.828 7.180 1.00 0.00 O ATOM 380 CG2 THR A 27 -13.249 2.570 8.760 1.00 0.00 C ATOM 0 H THR A 27 -9.692 1.266 6.382 1.00 0.00 H new ATOM 0 HA THR A 27 -11.015 2.799 7.372 1.00 0.00 H new ATOM 0 HB THR A 27 -12.251 0.725 9.120 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.896 0.550 7.423 1.00 0.00 H new ATOM 0 HG21 THR A 27 -14.243 2.186 8.991 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.820 3.027 9.652 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.323 3.317 7.970 1.00 0.00 H new ATOM 388 N VAL A 28 -9.015 1.428 9.339 1.00 0.00 N ATOM 389 CA VAL A 28 -8.129 1.547 10.477 1.00 0.00 C ATOM 390 C VAL A 28 -7.336 2.846 10.415 1.00 0.00 C ATOM 391 O VAL A 28 -7.200 3.543 11.420 1.00 0.00 O ATOM 392 CB VAL A 28 -7.158 0.362 10.510 1.00 0.00 C ATOM 393 CG1 VAL A 28 -7.920 -0.947 10.597 1.00 0.00 C ATOM 394 CG2 VAL A 28 -6.290 0.373 9.271 1.00 0.00 C ATOM 0 H VAL A 28 -8.701 0.755 8.640 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.738 1.550 11.381 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.525 0.455 11.392 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.215 -1.778 10.619 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.522 -0.958 11.505 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.571 -1.047 9.729 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.602 -0.472 9.301 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.920 0.297 8.385 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.722 1.302 9.233 1.00 0.00 H new ATOM 404 N LEU A 29 -6.838 3.192 9.223 1.00 0.00 N ATOM 405 CA LEU A 29 -6.104 4.422 9.055 1.00 0.00 C ATOM 406 C LEU A 29 -6.918 5.356 8.203 1.00 0.00 C ATOM 407 O LEU A 29 -6.658 6.556 8.119 1.00 0.00 O ATOM 408 CB LEU A 29 -4.733 4.178 8.424 1.00 0.00 C ATOM 409 CG LEU A 29 -3.913 3.048 9.051 1.00 0.00 C ATOM 410 CD1 LEU A 29 -2.435 3.232 8.742 1.00 0.00 C ATOM 411 CD2 LEU A 29 -4.135 2.982 10.556 1.00 0.00 C ATOM 0 H LEU A 29 -6.936 2.634 8.375 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.930 4.866 10.035 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.873 3.958 7.366 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.155 5.100 8.484 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.248 2.106 8.617 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.865 2.421 9.195 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.285 3.223 7.662 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.094 4.185 9.147 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.541 2.171 10.976 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.833 3.926 11.010 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.190 2.802 10.761 1.00 0.00 H new ATOM 423 N PHE A 30 -7.918 4.770 7.583 1.00 0.00 N ATOM 424 CA PHE A 30 -8.817 5.487 6.732 1.00 0.00 C ATOM 425 C PHE A 30 -10.256 5.292 7.209 1.00 0.00 C ATOM 426 O PHE A 30 -10.489 4.833 8.327 1.00 0.00 O ATOM 427 CB PHE A 30 -8.662 4.982 5.307 1.00 0.00 C ATOM 428 CG PHE A 30 -8.842 5.940 4.305 1.00 0.00 C ATOM 429 CD1 PHE A 30 -9.201 7.242 4.510 1.00 0.00 C ATOM 430 CD2 PHE A 30 -8.570 5.484 3.110 1.00 0.00 C ATOM 431 CE1 PHE A 30 -9.281 8.067 3.438 1.00 0.00 C ATOM 432 CE2 PHE A 30 -8.625 6.243 2.077 1.00 0.00 C ATOM 433 CZ PHE A 30 -8.984 7.561 2.192 1.00 0.00 C ATOM 0 H PHE A 30 -8.125 3.774 7.661 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.583 6.551 6.766 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.666 4.552 5.199 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.377 4.175 5.146 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.416 7.606 5.504 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.293 4.447 2.990 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.572 9.100 3.558 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -8.385 5.838 1.105 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.033 8.194 1.318 1.00 0.00 H new ATOM 443 N ASP A 31 -11.215 5.624 6.353 1.00 0.00 N ATOM 444 CA ASP A 31 -12.624 5.464 6.688 1.00 0.00 C ATOM 445 C ASP A 31 -13.191 4.224 6.004 1.00 0.00 C ATOM 446 O ASP A 31 -14.202 3.670 6.434 1.00 0.00 O ATOM 447 CB ASP A 31 -13.416 6.704 6.266 1.00 0.00 C ATOM 448 CG ASP A 31 -12.889 7.972 6.910 1.00 0.00 C ATOM 449 OD1 ASP A 31 -11.656 8.168 6.915 1.00 0.00 O ATOM 450 OD2 ASP A 31 -13.712 8.769 7.408 1.00 0.00 O ATOM 0 H ASP A 31 -11.043 6.005 5.423 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.712 5.343 7.768 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.375 6.806 5.182 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.464 6.571 6.535 1.00 0.00 H new ATOM 455 N LYS A 32 -12.526 3.795 4.932 1.00 0.00 N ATOM 456 CA LYS A 32 -12.947 2.621 4.179 1.00 0.00 C ATOM 457 C LYS A 32 -11.877 2.211 3.169 1.00 0.00 C ATOM 458 O LYS A 32 -12.194 1.775 2.063 1.00 0.00 O ATOM 459 CB LYS A 32 -14.283 2.866 3.449 1.00 0.00 C ATOM 460 CG LYS A 32 -14.632 4.331 3.219 1.00 0.00 C ATOM 461 CD LYS A 32 -13.919 4.890 2.000 1.00 0.00 C ATOM 462 CE LYS A 32 -12.666 5.653 2.393 1.00 0.00 C ATOM 463 NZ LYS A 32 -12.831 7.124 2.227 1.00 0.00 N ATOM 0 H LYS A 32 -11.689 4.248 4.566 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.090 1.813 4.896 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.251 2.360 2.484 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -15.085 2.403 4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -15.709 4.433 3.090 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -14.360 4.913 4.099 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.654 4.075 1.326 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.593 5.550 1.453 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.418 5.431 3.431 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.828 5.312 1.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.917 7.549 1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.524 7.313 1.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -13.167 7.539 3.120 1.00 0.00 H new ATOM 477 N GLY A 33 -10.605 2.351 3.548 1.00 0.00 N ATOM 478 CA GLY A 33 -9.531 1.981 2.639 1.00 0.00 C ATOM 479 C GLY A 33 -9.691 2.685 1.294 1.00 0.00 C ATOM 480 O GLY A 33 -9.403 3.869 1.170 1.00 0.00 O ATOM 0 H GLY A 33 -10.303 2.709 4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.569 2.244 3.080 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.530 0.901 2.491 1.00 0.00 H new ATOM 484 N GLY A 34 -10.168 1.948 0.287 1.00 0.00 N ATOM 485 CA GLY A 34 -10.368 2.524 -1.038 1.00 0.00 C ATOM 486 C GLY A 34 -11.249 3.759 -1.005 1.00 0.00 C ATOM 487 O GLY A 34 -11.936 3.993 -0.014 1.00 0.00 O ATOM 0 H GLY A 34 -10.419 0.963 0.366 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.401 2.783 -1.469 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.818 1.777 -1.692 1.00 0.00 H new ATOM 491 N VAL A 35 -11.203 4.564 -2.076 1.00 0.00 N ATOM 492 CA VAL A 35 -11.965 5.796 -2.175 1.00 0.00 C ATOM 493 C VAL A 35 -11.251 6.663 -3.184 1.00 0.00 C ATOM 494 O VAL A 35 -10.409 6.168 -3.926 1.00 0.00 O ATOM 495 CB VAL A 35 -12.016 6.511 -0.807 1.00 0.00 C ATOM 496 CG1 VAL A 35 -10.604 6.740 -0.272 1.00 0.00 C ATOM 497 CG2 VAL A 35 -12.850 7.790 -0.827 1.00 0.00 C ATOM 0 H VAL A 35 -10.630 4.369 -2.897 1.00 0.00 H new ATOM 0 HA VAL A 35 -12.992 5.595 -2.479 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.535 5.849 -0.114 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.658 7.245 0.693 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.100 5.781 -0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.045 7.358 -0.974 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.845 8.243 0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.426 8.489 -1.548 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.875 7.552 -1.112 1.00 0.00 H new ATOM 507 N ASN A 36 -11.506 7.945 -3.164 1.00 0.00 N ATOM 508 CA ASN A 36 -10.809 8.854 -4.016 1.00 0.00 C ATOM 509 C ASN A 36 -10.674 10.086 -3.180 1.00 0.00 C ATOM 510 O ASN A 36 -10.651 11.213 -3.671 1.00 0.00 O ATOM 511 CB ASN A 36 -11.570 9.123 -5.314 1.00 0.00 C ATOM 512 CG ASN A 36 -11.012 10.294 -6.103 1.00 0.00 C ATOM 513 OD1 ASN A 36 -9.848 10.662 -5.949 1.00 0.00 O ATOM 514 ND2 ASN A 36 -11.842 10.884 -6.954 1.00 0.00 N ATOM 0 H ASN A 36 -12.201 8.381 -2.557 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.846 8.464 -4.346 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -11.542 8.228 -5.936 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -12.617 9.317 -5.080 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -11.522 11.676 -7.512 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -12.800 10.546 -7.050 1.00 0.00 H new ATOM 521 N THR A 37 -10.681 9.810 -1.869 1.00 0.00 N ATOM 522 CA THR A 37 -10.653 10.816 -0.847 1.00 0.00 C ATOM 523 C THR A 37 -10.356 12.218 -1.390 1.00 0.00 C ATOM 524 O THR A 37 -11.128 13.151 -1.169 1.00 0.00 O ATOM 525 CB THR A 37 -9.660 10.450 0.254 1.00 0.00 C ATOM 526 OG1 THR A 37 -9.390 11.569 1.079 1.00 0.00 O ATOM 527 CG2 THR A 37 -8.335 9.942 -0.277 1.00 0.00 C ATOM 0 H THR A 37 -10.707 8.859 -1.502 1.00 0.00 H new ATOM 0 HA THR A 37 -11.658 10.848 -0.426 1.00 0.00 H new ATOM 0 HB THR A 37 -10.138 9.649 0.818 1.00 0.00 H new ATOM 0 HG1 THR A 37 -8.753 11.313 1.779 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.677 9.701 0.558 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.502 9.048 -0.878 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.871 10.712 -0.894 1.00 0.00 H new ATOM 535 N SER A 38 -9.239 12.358 -2.105 1.00 0.00 N ATOM 536 CA SER A 38 -8.861 13.647 -2.675 1.00 0.00 C ATOM 537 C SER A 38 -7.673 13.527 -3.626 1.00 0.00 C ATOM 538 O SER A 38 -6.570 13.989 -3.327 1.00 0.00 O ATOM 539 CB SER A 38 -8.519 14.639 -1.577 1.00 0.00 C ATOM 540 OG SER A 38 -9.687 15.126 -0.937 1.00 0.00 O ATOM 0 H SER A 38 -8.586 11.599 -2.301 1.00 0.00 H new ATOM 0 HA SER A 38 -9.721 14.004 -3.242 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.872 14.161 -0.842 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.959 15.473 -2.000 1.00 0.00 H new ATOM 0 HG SER A 38 -10.472 14.656 -1.287 1.00 0.00 H new ATOM 546 N VAL A 39 -7.912 12.915 -4.770 1.00 0.00 N ATOM 547 CA VAL A 39 -6.882 12.734 -5.781 1.00 0.00 C ATOM 548 C VAL A 39 -7.532 12.493 -7.150 1.00 0.00 C ATOM 549 O VAL A 39 -8.664 12.918 -7.379 1.00 0.00 O ATOM 550 CB VAL A 39 -5.945 11.571 -5.393 1.00 0.00 C ATOM 551 CG1 VAL A 39 -6.618 10.241 -5.629 1.00 0.00 C ATOM 552 CG2 VAL A 39 -4.611 11.665 -6.126 1.00 0.00 C ATOM 0 H VAL A 39 -8.821 12.530 -5.026 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.278 13.639 -5.844 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.731 11.650 -4.327 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.940 9.435 -5.349 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.524 10.179 -5.026 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.878 10.147 -6.683 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.974 10.831 -5.831 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.783 11.627 -7.202 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.121 12.604 -5.870 1.00 0.00 H new ATOM 562 N ARG A 40 -6.829 11.822 -8.059 1.00 0.00 N ATOM 563 CA ARG A 40 -7.369 11.554 -9.388 1.00 0.00 C ATOM 564 C ARG A 40 -7.215 10.084 -9.765 1.00 0.00 C ATOM 565 O ARG A 40 -7.073 9.747 -10.940 1.00 0.00 O ATOM 566 CB ARG A 40 -6.666 12.433 -10.423 1.00 0.00 C ATOM 567 CG ARG A 40 -7.425 12.555 -11.735 1.00 0.00 C ATOM 568 CD ARG A 40 -8.745 13.288 -11.552 1.00 0.00 C ATOM 569 NE ARG A 40 -9.851 12.595 -12.208 1.00 0.00 N ATOM 570 CZ ARG A 40 -11.043 13.143 -12.430 1.00 0.00 C ATOM 571 NH1 ARG A 40 -11.287 14.392 -12.049 1.00 0.00 N ATOM 572 NH2 ARG A 40 -11.993 12.443 -13.034 1.00 0.00 N ATOM 0 H ARG A 40 -5.890 11.456 -7.901 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.433 11.789 -9.373 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.521 13.428 -10.003 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.676 12.023 -10.623 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.811 13.086 -12.463 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.613 11.561 -12.141 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.960 13.388 -10.488 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.659 14.297 -11.956 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.701 11.634 -12.514 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.559 14.935 -11.584 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.202 14.808 -12.221 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.810 11.484 -13.329 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.907 12.864 -13.204 1.00 0.00 H new ATOM 586 N HIS A 41 -7.239 9.213 -8.763 1.00 0.00 N ATOM 587 CA HIS A 41 -7.097 7.773 -9.000 1.00 0.00 C ATOM 588 C HIS A 41 -7.867 6.957 -7.978 1.00 0.00 C ATOM 589 O HIS A 41 -8.307 5.841 -8.253 1.00 0.00 O ATOM 590 CB HIS A 41 -5.630 7.370 -8.928 1.00 0.00 C ATOM 591 CG HIS A 41 -4.726 8.329 -9.631 1.00 0.00 C ATOM 592 ND1 HIS A 41 -4.782 8.540 -10.989 1.00 0.00 N ATOM 593 CD2 HIS A 41 -3.756 9.150 -9.163 1.00 0.00 C ATOM 594 CE1 HIS A 41 -3.890 9.448 -11.330 1.00 0.00 C ATOM 595 NE2 HIS A 41 -3.251 9.835 -10.241 1.00 0.00 N ATOM 0 H HIS A 41 -7.354 9.472 -7.783 1.00 0.00 H new ATOM 0 HA HIS A 41 -7.501 7.571 -9.992 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -5.330 7.296 -7.883 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.509 6.379 -9.365 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -3.439 9.248 -8.135 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -3.712 9.814 -12.330 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -2.504 10.529 -10.206 1.00 0.00 H new ATOM 604 N GLY A 42 -7.981 7.512 -6.791 1.00 0.00 N ATOM 605 CA GLY A 42 -8.645 6.842 -5.705 1.00 0.00 C ATOM 606 C GLY A 42 -7.882 7.046 -4.423 1.00 0.00 C ATOM 607 O GLY A 42 -7.812 8.160 -3.904 1.00 0.00 O ATOM 0 H GLY A 42 -7.617 8.435 -6.557 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.660 7.225 -5.598 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.728 5.777 -5.922 1.00 0.00 H new ATOM 611 N GLY A 43 -7.243 5.991 -3.944 1.00 0.00 N ATOM 612 CA GLY A 43 -6.423 6.135 -2.757 1.00 0.00 C ATOM 613 C GLY A 43 -6.840 5.344 -1.524 1.00 0.00 C ATOM 614 O GLY A 43 -7.433 5.898 -0.604 1.00 0.00 O ATOM 0 H GLY A 43 -7.274 5.054 -4.345 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.403 5.848 -3.014 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.399 7.191 -2.489 1.00 0.00 H new ATOM 618 N ILE A 44 -6.485 4.062 -1.490 1.00 0.00 N ATOM 619 CA ILE A 44 -6.774 3.198 -0.332 1.00 0.00 C ATOM 620 C ILE A 44 -5.792 3.436 0.806 1.00 0.00 C ATOM 621 O ILE A 44 -4.578 3.358 0.632 1.00 0.00 O ATOM 622 CB ILE A 44 -6.724 1.687 -0.672 1.00 0.00 C ATOM 623 CG1 ILE A 44 -7.282 0.826 0.469 1.00 0.00 C ATOM 624 CG2 ILE A 44 -5.301 1.233 -1.008 1.00 0.00 C ATOM 625 CD1 ILE A 44 -6.379 0.720 1.677 1.00 0.00 C ATOM 0 H ILE A 44 -5.995 3.591 -2.250 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.787 3.467 -0.033 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.354 1.548 -1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -8.240 1.239 0.783 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.477 -0.177 0.088 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.304 0.168 -1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.935 1.792 -1.869 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.650 1.415 -0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.854 0.093 2.432 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.428 0.276 1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.203 1.714 2.088 1.00 0.00 H new ATOM 637 N TYR A 45 -6.341 3.648 1.982 1.00 0.00 N ATOM 638 CA TYR A 45 -5.533 3.822 3.192 1.00 0.00 C ATOM 639 C TYR A 45 -5.960 2.798 4.221 1.00 0.00 C ATOM 640 O TYR A 45 -7.140 2.476 4.332 1.00 0.00 O ATOM 641 CB TYR A 45 -5.582 5.232 3.754 1.00 0.00 C ATOM 642 CG TYR A 45 -5.081 6.294 2.832 1.00 0.00 C ATOM 643 CD1 TYR A 45 -5.639 6.467 1.584 1.00 0.00 C ATOM 644 CD2 TYR A 45 -4.072 7.149 3.230 1.00 0.00 C ATOM 645 CE1 TYR A 45 -5.206 7.462 0.749 1.00 0.00 C ATOM 646 CE2 TYR A 45 -3.625 8.147 2.401 1.00 0.00 C ATOM 647 CZ TYR A 45 -4.195 8.305 1.157 1.00 0.00 C ATOM 648 OH TYR A 45 -3.756 9.309 0.323 1.00 0.00 O ATOM 0 H TYR A 45 -7.347 3.706 2.137 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.489 3.662 2.922 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.612 5.464 4.026 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -4.995 5.262 4.672 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.430 5.807 1.259 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.628 7.030 4.208 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -5.655 7.586 -0.225 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.831 8.805 2.722 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.509 9.650 -0.203 1.00 0.00 H new ATOM 658 N VAL A 46 -4.991 2.188 4.888 1.00 0.00 N ATOM 659 CA VAL A 46 -5.309 1.099 5.776 1.00 0.00 C ATOM 660 C VAL A 46 -4.224 0.762 6.801 1.00 0.00 C ATOM 661 O VAL A 46 -3.196 1.431 6.869 1.00 0.00 O ATOM 662 CB VAL A 46 -5.452 -0.083 4.838 1.00 0.00 C ATOM 663 CG1 VAL A 46 -4.091 -0.635 4.473 1.00 0.00 C ATOM 664 CG2 VAL A 46 -6.409 -1.105 5.403 1.00 0.00 C ATOM 0 H VAL A 46 -4.001 2.427 4.829 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.186 1.355 6.370 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.901 0.244 3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.211 -1.483 3.799 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.504 0.140 3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.576 -0.960 5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.495 -1.944 4.712 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.035 -1.462 6.363 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.389 -0.648 5.543 1.00 0.00 H new ATOM 674 N LYS A 47 -4.421 -0.364 7.522 1.00 0.00 N ATOM 675 CA LYS A 47 -3.393 -0.858 8.452 1.00 0.00 C ATOM 676 C LYS A 47 -2.561 -1.821 7.641 1.00 0.00 C ATOM 677 O LYS A 47 -1.397 -2.105 7.924 1.00 0.00 O ATOM 678 CB LYS A 47 -3.969 -1.563 9.689 1.00 0.00 C ATOM 679 CG LYS A 47 -4.516 -2.955 9.419 1.00 0.00 C ATOM 680 CD LYS A 47 -4.505 -3.802 10.682 1.00 0.00 C ATOM 681 CE LYS A 47 -4.538 -5.287 10.358 1.00 0.00 C ATOM 682 NZ LYS A 47 -4.949 -6.103 11.533 1.00 0.00 N ATOM 0 H LYS A 47 -5.265 -0.935 7.477 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.819 -0.022 8.852 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.190 -1.633 10.448 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.766 -0.947 10.105 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.534 -2.881 9.036 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.919 -3.440 8.647 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.612 -3.576 11.265 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.364 -3.545 11.301 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.229 -5.463 9.534 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.552 -5.607 10.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.959 -7.109 11.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.275 -5.955 12.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.900 -5.816 11.839 1.00 0.00 H new ATOM 696 N ALA A 48 -3.211 -2.247 6.566 1.00 0.00 N ATOM 697 CA ALA A 48 -2.689 -3.080 5.571 1.00 0.00 C ATOM 698 C ALA A 48 -2.754 -4.553 5.936 1.00 0.00 C ATOM 699 O ALA A 48 -3.781 -5.024 6.398 1.00 0.00 O ATOM 700 CB ALA A 48 -1.337 -2.573 5.249 1.00 0.00 C ATOM 0 H ALA A 48 -4.180 -1.984 6.384 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.300 -3.041 4.670 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.890 -3.196 4.474 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.409 -1.545 4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.714 -2.604 6.143 1.00 0.00 H new ATOM 706 N VAL A 49 -1.702 -5.295 5.657 1.00 0.00 N ATOM 707 CA VAL A 49 -1.721 -6.715 5.850 1.00 0.00 C ATOM 708 C VAL A 49 -1.579 -7.246 7.251 1.00 0.00 C ATOM 709 O VAL A 49 -0.752 -6.822 8.058 1.00 0.00 O ATOM 710 CB VAL A 49 -0.637 -7.341 5.023 1.00 0.00 C ATOM 711 CG1 VAL A 49 -1.047 -7.317 3.575 1.00 0.00 C ATOM 712 CG2 VAL A 49 0.687 -6.647 5.269 1.00 0.00 C ATOM 0 H VAL A 49 -0.822 -4.928 5.294 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.734 -6.984 5.551 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.496 -8.382 5.313 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.264 -7.770 2.968 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.974 -7.877 3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.201 -6.286 3.258 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.461 -7.114 4.661 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.601 -5.594 5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.952 -6.733 6.323 1.00 0.00 H new ATOM 722 N ILE A 50 -2.416 -8.251 7.458 1.00 0.00 N ATOM 723 CA ILE A 50 -2.496 -9.021 8.680 1.00 0.00 C ATOM 724 C ILE A 50 -1.097 -9.342 9.201 1.00 0.00 C ATOM 725 O ILE A 50 -0.118 -9.235 8.464 1.00 0.00 O ATOM 726 CB ILE A 50 -3.263 -10.345 8.387 1.00 0.00 C ATOM 727 CG1 ILE A 50 -4.186 -10.716 9.549 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.311 -11.484 8.060 1.00 0.00 C ATOM 729 CD1 ILE A 50 -5.563 -11.161 9.106 1.00 0.00 C ATOM 0 H ILE A 50 -3.081 -8.561 6.750 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.022 -8.442 9.439 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.882 -10.174 7.506 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.724 -11.514 10.129 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.286 -9.857 10.212 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.883 -12.391 7.862 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.723 -11.226 7.179 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.643 -11.654 8.905 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.164 -11.409 9.981 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.044 -10.356 8.551 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.473 -12.039 8.467 1.00 0.00 H new ATOM 741 N PRO A 51 -0.978 -9.753 10.469 1.00 0.00 N ATOM 742 CA PRO A 51 0.309 -10.097 11.053 1.00 0.00 C ATOM 743 C PRO A 51 0.785 -11.470 10.636 1.00 0.00 C ATOM 744 O PRO A 51 1.979 -11.766 10.621 1.00 0.00 O ATOM 745 CB PRO A 51 0.053 -10.060 12.566 1.00 0.00 C ATOM 746 CG PRO A 51 -1.376 -9.646 12.739 1.00 0.00 C ATOM 747 CD PRO A 51 -2.064 -9.921 11.433 1.00 0.00 C ATOM 0 HA PRO A 51 1.090 -9.411 10.726 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.232 -11.037 13.015 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.724 -9.356 13.057 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.846 -10.204 13.549 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.445 -8.589 12.998 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.486 -10.925 11.399 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.882 -9.225 11.250 1.00 0.00 H new ATOM 755 N GLN A 52 -0.173 -12.293 10.320 1.00 0.00 N ATOM 756 CA GLN A 52 0.087 -13.668 9.909 1.00 0.00 C ATOM 757 C GLN A 52 0.206 -13.817 8.394 1.00 0.00 C ATOM 758 O GLN A 52 0.108 -14.926 7.867 1.00 0.00 O ATOM 759 CB GLN A 52 -1.002 -14.601 10.445 1.00 0.00 C ATOM 760 CG GLN A 52 -2.400 -14.243 9.971 1.00 0.00 C ATOM 761 CD GLN A 52 -3.462 -15.161 10.544 1.00 0.00 C ATOM 762 OE1 GLN A 52 -3.656 -16.279 10.068 1.00 0.00 O ATOM 763 NE2 GLN A 52 -4.157 -14.690 11.574 1.00 0.00 N ATOM 0 H GLN A 52 -1.162 -12.042 10.336 1.00 0.00 H new ATOM 0 HA GLN A 52 1.050 -13.948 10.336 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.775 -15.623 10.140 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.981 -14.581 11.535 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.623 -13.214 10.253 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.434 -14.289 8.882 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.962 -13.757 11.936 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -4.885 -15.262 12.002 1.00 0.00 H new ATOM 772 N GLY A 53 0.447 -12.713 7.700 1.00 0.00 N ATOM 773 CA GLY A 53 0.607 -12.773 6.260 1.00 0.00 C ATOM 774 C GLY A 53 -0.668 -12.475 5.492 1.00 0.00 C ATOM 775 O GLY A 53 -0.972 -11.321 5.206 1.00 0.00 O ATOM 0 H GLY A 53 0.534 -11.781 8.105 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.377 -12.062 5.959 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.964 -13.765 5.984 1.00 0.00 H new ATOM 779 N ALA A 54 -1.420 -13.522 5.169 1.00 0.00 N ATOM 780 CA ALA A 54 -2.671 -13.390 4.438 1.00 0.00 C ATOM 781 C ALA A 54 -2.581 -12.349 3.306 1.00 0.00 C ATOM 782 O ALA A 54 -1.963 -12.628 2.280 1.00 0.00 O ATOM 783 CB ALA A 54 -3.774 -13.110 5.423 1.00 0.00 C ATOM 0 H ALA A 54 -1.178 -14.484 5.407 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.896 -14.326 3.926 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.720 -13.008 4.891 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.844 -13.933 6.134 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.558 -12.186 5.959 1.00 0.00 H new ATOM 789 N ALA A 55 -3.177 -11.152 3.466 1.00 0.00 N ATOM 790 CA ALA A 55 -3.100 -10.133 2.418 1.00 0.00 C ATOM 791 C ALA A 55 -1.650 -9.918 2.065 1.00 0.00 C ATOM 792 O ALA A 55 -1.278 -9.687 0.920 1.00 0.00 O ATOM 793 CB ALA A 55 -3.728 -8.832 2.868 1.00 0.00 C ATOM 0 H ALA A 55 -3.705 -10.876 4.294 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.654 -10.476 1.544 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.654 -8.096 2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.777 -9.000 3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.205 -8.462 3.750 1.00 0.00 H new ATOM 799 N GLU A 56 -0.851 -10.016 3.099 1.00 0.00 N ATOM 800 CA GLU A 56 0.591 -9.865 3.005 1.00 0.00 C ATOM 801 C GLU A 56 1.134 -10.870 1.989 1.00 0.00 C ATOM 802 O GLU A 56 2.090 -10.598 1.263 1.00 0.00 O ATOM 803 CB GLU A 56 1.200 -10.071 4.386 1.00 0.00 C ATOM 804 CG GLU A 56 2.535 -9.369 4.582 1.00 0.00 C ATOM 805 CD GLU A 56 3.713 -10.318 4.476 1.00 0.00 C ATOM 806 OE1 GLU A 56 3.640 -11.422 5.056 1.00 0.00 O ATOM 807 OE2 GLU A 56 4.707 -9.957 3.812 1.00 0.00 O ATOM 0 H GLU A 56 -1.183 -10.205 4.045 1.00 0.00 H new ATOM 0 HA GLU A 56 0.856 -8.865 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.498 -9.712 5.139 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.334 -11.139 4.558 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.640 -8.581 3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.548 -8.887 5.560 1.00 0.00 H new ATOM 814 N SER A 57 0.447 -12.002 1.906 1.00 0.00 N ATOM 815 CA SER A 57 0.751 -13.049 0.946 1.00 0.00 C ATOM 816 C SER A 57 0.184 -12.584 -0.370 1.00 0.00 C ATOM 817 O SER A 57 0.839 -12.652 -1.409 1.00 0.00 O ATOM 818 CB SER A 57 0.130 -14.383 1.367 1.00 0.00 C ATOM 819 OG SER A 57 0.655 -15.454 0.601 1.00 0.00 O ATOM 0 H SER A 57 -0.345 -12.219 2.511 1.00 0.00 H new ATOM 0 HA SER A 57 1.825 -13.220 0.878 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.323 -14.560 2.425 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.952 -14.339 1.243 1.00 0.00 H new ATOM 0 HG SER A 57 0.244 -16.295 0.890 1.00 0.00 H new ATOM 825 N ASP A 58 -1.012 -11.993 -0.282 1.00 0.00 N ATOM 826 CA ASP A 58 -1.642 -11.379 -1.431 1.00 0.00 C ATOM 827 C ASP A 58 -0.693 -10.298 -1.903 1.00 0.00 C ATOM 828 O ASP A 58 -0.712 -9.882 -3.062 1.00 0.00 O ATOM 829 CB ASP A 58 -3.004 -10.789 -1.051 1.00 0.00 C ATOM 830 CG ASP A 58 -3.534 -9.805 -2.072 1.00 0.00 C ATOM 831 OD1 ASP A 58 -3.325 -10.032 -3.282 1.00 0.00 O ATOM 832 OD2 ASP A 58 -4.159 -8.807 -1.658 1.00 0.00 O ATOM 0 H ASP A 58 -1.555 -11.932 0.579 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.829 -12.108 -2.220 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.723 -11.600 -0.930 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.920 -10.291 -0.085 1.00 0.00 H new ATOM 837 N GLY A 59 0.145 -9.847 -0.962 1.00 0.00 N ATOM 838 CA GLY A 59 1.104 -8.811 -1.273 1.00 0.00 C ATOM 839 C GLY A 59 0.427 -7.488 -1.453 1.00 0.00 C ATOM 840 O GLY A 59 0.710 -6.766 -2.399 1.00 0.00 O ATOM 0 H GLY A 59 0.170 -10.183 0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.841 -8.740 -0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.645 -9.073 -2.182 1.00 0.00 H new ATOM 844 N ARG A 60 -0.458 -7.175 -0.517 1.00 0.00 N ATOM 845 CA ARG A 60 -1.200 -5.928 -0.532 1.00 0.00 C ATOM 846 C ARG A 60 -0.756 -5.108 0.650 1.00 0.00 C ATOM 847 O ARG A 60 -1.560 -4.659 1.467 1.00 0.00 O ATOM 848 CB ARG A 60 -2.708 -6.209 -0.466 1.00 0.00 C ATOM 849 CG ARG A 60 -3.576 -4.956 -0.441 1.00 0.00 C ATOM 850 CD ARG A 60 -3.125 -3.932 -1.471 1.00 0.00 C ATOM 851 NE ARG A 60 -2.365 -2.843 -0.862 1.00 0.00 N ATOM 852 CZ ARG A 60 -2.910 -1.883 -0.119 1.00 0.00 C ATOM 853 NH1 ARG A 60 -4.218 -1.874 0.110 1.00 0.00 N ATOM 854 NH2 ARG A 60 -2.147 -0.930 0.398 1.00 0.00 N ATOM 0 H ARG A 60 -0.680 -7.780 0.273 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.006 -5.380 -1.454 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.991 -6.817 -1.326 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.917 -6.801 0.425 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.614 -5.230 -0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.541 -4.510 0.553 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -2.512 -4.423 -2.227 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.997 -3.524 -1.983 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.357 -2.817 -1.015 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.810 -2.605 -0.284 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.631 -1.136 0.680 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.142 -0.932 0.226 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.565 -0.194 0.967 1.00 0.00 H new ATOM 868 N ILE A 61 0.551 -4.975 0.759 1.00 0.00 N ATOM 869 CA ILE A 61 1.160 -4.303 1.819 1.00 0.00 C ATOM 870 C ILE A 61 1.291 -2.824 1.612 1.00 0.00 C ATOM 871 O ILE A 61 1.614 -2.350 0.527 1.00 0.00 O ATOM 872 CB ILE A 61 2.541 -4.864 2.049 1.00 0.00 C ATOM 873 CG1 ILE A 61 3.239 -5.313 0.754 1.00 0.00 C ATOM 874 CG2 ILE A 61 2.453 -6.010 3.025 1.00 0.00 C ATOM 875 CD1 ILE A 61 3.285 -4.251 -0.322 1.00 0.00 C ATOM 0 H ILE A 61 1.210 -5.353 0.078 1.00 0.00 H new ATOM 0 HA ILE A 61 0.507 -4.456 2.678 1.00 0.00 H new ATOM 0 HB ILE A 61 3.155 -4.062 2.459 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.258 -5.620 0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.725 -6.190 0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.448 -6.420 3.195 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.041 -5.653 3.969 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.806 -6.786 2.617 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.793 -4.646 -1.202 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.269 -3.960 -0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.826 -3.381 0.049 1.00 0.00 H new ATOM 887 N HIS A 62 1.085 -2.130 2.711 1.00 0.00 N ATOM 888 CA HIS A 62 1.209 -0.697 2.799 1.00 0.00 C ATOM 889 C HIS A 62 -0.007 -0.108 3.486 1.00 0.00 C ATOM 890 O HIS A 62 -1.094 -0.031 2.914 1.00 0.00 O ATOM 891 CB HIS A 62 1.455 -0.016 1.453 1.00 0.00 C ATOM 892 CG HIS A 62 2.910 0.010 1.099 1.00 0.00 C ATOM 893 ND1 HIS A 62 3.602 -0.619 0.119 1.00 0.00 N flip ATOM 894 CD2 HIS A 62 3.843 0.719 1.827 1.00 0.00 C flip ATOM 895 CE1 HIS A 62 4.925 -0.285 0.276 1.00 0.00 C flip ATOM 896 NE2 HIS A 62 5.043 0.523 1.313 1.00 0.00 N flip ATOM 0 H HIS A 62 0.818 -2.565 3.594 1.00 0.00 H new ATOM 0 HA HIS A 62 2.099 -0.501 3.397 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.901 -0.540 0.674 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.071 1.004 1.486 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.625 1.338 2.685 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.737 -0.628 -0.348 1.00 0.00 H new ATOM 0 HE2 HIS A 62 5.913 0.927 1.658 1.00 0.00 H new ATOM 905 N LYS A 63 0.195 0.296 4.723 1.00 0.00 N ATOM 906 CA LYS A 63 -0.864 0.878 5.531 1.00 0.00 C ATOM 907 C LYS A 63 -1.035 2.337 5.185 1.00 0.00 C ATOM 908 O LYS A 63 -0.158 3.151 5.479 1.00 0.00 O ATOM 909 CB LYS A 63 -0.531 0.740 7.016 1.00 0.00 C ATOM 910 CG LYS A 63 0.881 1.182 7.367 1.00 0.00 C ATOM 911 CD LYS A 63 0.917 1.950 8.678 1.00 0.00 C ATOM 912 CE LYS A 63 0.956 3.451 8.445 1.00 0.00 C ATOM 913 NZ LYS A 63 1.507 4.182 9.618 1.00 0.00 N ATOM 0 H LYS A 63 1.095 0.232 5.199 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.793 0.347 5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.242 1.329 7.595 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.662 -0.300 7.314 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.529 0.309 7.438 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.276 1.808 6.567 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.040 1.696 9.273 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.792 1.648 9.254 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.563 3.666 7.566 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.051 3.811 8.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.516 5.203 9.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.913 3.998 10.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.477 3.857 9.805 1.00 0.00 H new ATOM 927 N GLY A 64 -2.145 2.685 4.545 1.00 0.00 N ATOM 928 CA GLY A 64 -2.321 4.075 4.188 1.00 0.00 C ATOM 929 C GLY A 64 -1.517 4.424 2.969 1.00 0.00 C ATOM 930 O GLY A 64 -0.291 4.493 3.015 1.00 0.00 O ATOM 0 H GLY A 64 -2.900 2.054 4.276 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.376 4.275 4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.018 4.709 5.021 1.00 0.00 H new ATOM 934 N ASP A 65 -2.217 4.604 1.870 1.00 0.00 N ATOM 935 CA ASP A 65 -1.575 4.918 0.595 1.00 0.00 C ATOM 936 C ASP A 65 -2.615 5.223 -0.472 1.00 0.00 C ATOM 937 O ASP A 65 -3.796 5.334 -0.150 1.00 0.00 O ATOM 938 CB ASP A 65 -0.719 3.738 0.187 1.00 0.00 C ATOM 939 CG ASP A 65 0.754 4.082 0.122 1.00 0.00 C ATOM 940 OD1 ASP A 65 1.123 4.964 -0.680 1.00 0.00 O ATOM 941 OD2 ASP A 65 1.539 3.471 0.876 1.00 0.00 O ATOM 0 H ASP A 65 -3.234 4.540 1.825 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.952 5.805 0.705 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.867 2.924 0.896 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.047 3.376 -0.787 1.00 0.00 H new ATOM 946 N ARG A 66 -2.209 5.381 -1.742 1.00 0.00 N ATOM 947 CA ARG A 66 -3.216 5.685 -2.752 1.00 0.00 C ATOM 948 C ARG A 66 -3.198 4.807 -4.014 1.00 0.00 C ATOM 949 O ARG A 66 -2.345 4.937 -4.884 1.00 0.00 O ATOM 950 CB ARG A 66 -3.098 7.151 -3.167 1.00 0.00 C ATOM 951 CG ARG A 66 -2.979 8.111 -1.994 1.00 0.00 C ATOM 952 CD ARG A 66 -1.599 8.744 -1.925 1.00 0.00 C ATOM 953 NE ARG A 66 -1.531 9.995 -2.677 1.00 0.00 N ATOM 954 CZ ARG A 66 -1.990 11.159 -2.223 1.00 0.00 C ATOM 955 NH1 ARG A 66 -2.549 11.237 -1.021 1.00 0.00 N ATOM 956 NH2 ARG A 66 -1.889 12.248 -2.971 1.00 0.00 N ATOM 0 H ARG A 66 -1.247 5.308 -2.074 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.166 5.466 -2.265 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.226 7.268 -3.811 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.971 7.423 -3.760 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.734 8.892 -2.085 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.182 7.578 -1.065 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.339 8.933 -0.884 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.860 8.045 -2.317 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.107 9.975 -3.604 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.628 10.402 -0.440 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -2.899 12.132 -0.678 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.460 12.194 -3.895 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.241 13.140 -2.623 1.00 0.00 H new ATOM 970 N VAL A 67 -4.211 3.954 -4.097 1.00 0.00 N ATOM 971 CA VAL A 67 -4.478 3.066 -5.161 1.00 0.00 C ATOM 972 C VAL A 67 -5.132 3.660 -6.362 1.00 0.00 C ATOM 973 O VAL A 67 -6.058 4.466 -6.275 1.00 0.00 O ATOM 974 CB VAL A 67 -5.389 1.948 -4.719 1.00 0.00 C ATOM 975 CG1 VAL A 67 -4.533 0.791 -4.492 1.00 0.00 C ATOM 976 CG2 VAL A 67 -6.194 2.278 -3.503 1.00 0.00 C ATOM 0 H VAL A 67 -4.905 3.879 -3.353 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.480 2.731 -5.443 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.135 1.756 -5.491 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.141 -0.054 -4.168 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.017 0.533 -5.417 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.800 1.027 -3.721 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.826 1.428 -3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.524 2.500 -2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.820 3.147 -3.706 1.00 0.00 H new ATOM 986 N LEU A 68 -4.692 3.157 -7.488 1.00 0.00 N ATOM 987 CA LEU A 68 -5.288 3.533 -8.737 1.00 0.00 C ATOM 988 C LEU A 68 -6.505 2.635 -8.962 1.00 0.00 C ATOM 989 O LEU A 68 -7.599 3.125 -9.238 1.00 0.00 O ATOM 990 CB LEU A 68 -4.294 3.421 -9.901 1.00 0.00 C ATOM 991 CG LEU A 68 -3.475 2.132 -9.960 1.00 0.00 C ATOM 992 CD1 LEU A 68 -3.138 1.783 -11.401 1.00 0.00 C ATOM 993 CD2 LEU A 68 -2.205 2.269 -9.135 1.00 0.00 C ATOM 0 H LEU A 68 -3.925 2.488 -7.562 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.591 4.579 -8.698 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.846 3.520 -10.835 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.605 4.264 -9.847 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.073 1.324 -9.539 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.555 0.863 -11.426 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.059 1.644 -11.967 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.558 2.592 -11.845 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.634 1.342 -9.189 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.603 3.089 -9.527 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.466 2.475 -8.097 1.00 0.00 H new ATOM 1005 N ALA A 69 -6.324 1.312 -8.794 1.00 0.00 N ATOM 1006 CA ALA A 69 -7.424 0.371 -8.929 1.00 0.00 C ATOM 1007 C ALA A 69 -7.382 -0.606 -7.780 1.00 0.00 C ATOM 1008 O ALA A 69 -6.304 -0.942 -7.316 1.00 0.00 O ATOM 1009 CB ALA A 69 -7.364 -0.352 -10.266 1.00 0.00 C ATOM 0 H ALA A 69 -5.427 0.883 -8.566 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.368 0.916 -8.901 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.198 -1.050 -10.340 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.426 0.375 -11.076 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.425 -0.900 -10.341 1.00 0.00 H new ATOM 1015 N VAL A 70 -8.528 -1.091 -7.351 1.00 0.00 N ATOM 1016 CA VAL A 70 -8.584 -2.067 -6.285 1.00 0.00 C ATOM 1017 C VAL A 70 -9.317 -3.303 -6.779 1.00 0.00 C ATOM 1018 O VAL A 70 -10.246 -3.205 -7.578 1.00 0.00 O ATOM 1019 CB VAL A 70 -9.252 -1.498 -5.036 1.00 0.00 C ATOM 1020 CG1 VAL A 70 -10.711 -1.275 -5.321 1.00 0.00 C ATOM 1021 CG2 VAL A 70 -9.044 -2.420 -3.846 1.00 0.00 C ATOM 0 H VAL A 70 -9.438 -0.823 -7.727 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.566 -2.337 -6.003 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.796 -0.542 -4.777 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.197 -0.868 -4.434 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.817 -0.572 -6.147 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -11.178 -2.223 -5.589 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.528 -1.995 -2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.477 -3.397 -4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.977 -2.531 -3.654 1.00 0.00 H new ATOM 1031 N ASN A 71 -8.870 -4.462 -6.337 1.00 0.00 N ATOM 1032 CA ASN A 71 -9.451 -5.731 -6.772 1.00 0.00 C ATOM 1033 C ASN A 71 -9.563 -5.772 -8.291 1.00 0.00 C ATOM 1034 O ASN A 71 -10.286 -6.595 -8.851 1.00 0.00 O ATOM 1035 CB ASN A 71 -10.826 -5.908 -6.167 1.00 0.00 C ATOM 1036 CG ASN A 71 -11.506 -7.196 -6.593 1.00 0.00 C ATOM 1037 OD1 ASN A 71 -11.175 -8.276 -6.105 1.00 0.00 O ATOM 1038 ND2 ASN A 71 -12.463 -7.086 -7.507 1.00 0.00 N ATOM 0 H ASN A 71 -8.102 -4.558 -5.673 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.799 -6.538 -6.438 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.742 -5.891 -5.080 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.453 -5.063 -6.452 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -12.956 -7.918 -7.832 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -12.705 -6.170 -7.884 1.00 0.00 H new ATOM 1045 N GLY A 72 -8.856 -4.868 -8.952 1.00 0.00 N ATOM 1046 CA GLY A 72 -8.918 -4.820 -10.399 1.00 0.00 C ATOM 1047 C GLY A 72 -9.800 -3.696 -10.893 1.00 0.00 C ATOM 1048 O GLY A 72 -9.650 -3.238 -12.025 1.00 0.00 O ATOM 0 H GLY A 72 -8.247 -4.174 -8.519 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.912 -4.695 -10.801 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.296 -5.770 -10.777 1.00 0.00 H new ATOM 1052 N VAL A 73 -10.698 -3.218 -10.035 1.00 0.00 N ATOM 1053 CA VAL A 73 -11.557 -2.113 -10.406 1.00 0.00 C ATOM 1054 C VAL A 73 -10.826 -0.830 -10.096 1.00 0.00 C ATOM 1055 O VAL A 73 -10.139 -0.743 -9.091 1.00 0.00 O ATOM 1056 CB VAL A 73 -12.938 -2.118 -9.672 1.00 0.00 C ATOM 1057 CG1 VAL A 73 -13.731 -0.852 -9.985 1.00 0.00 C ATOM 1058 CG2 VAL A 73 -13.732 -3.359 -10.052 1.00 0.00 C ATOM 0 H VAL A 73 -10.844 -3.577 -9.092 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.779 -2.209 -11.469 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.754 -2.138 -8.598 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.687 -0.882 -9.462 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.166 0.021 -9.659 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -13.907 -0.789 -11.059 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.691 -3.350 -9.534 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.901 -3.367 -11.129 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.173 -4.250 -9.766 1.00 0.00 H new ATOM 1068 N SER A 74 -10.975 0.169 -10.933 1.00 0.00 N ATOM 1069 CA SER A 74 -10.307 1.425 -10.676 1.00 0.00 C ATOM 1070 C SER A 74 -11.124 2.148 -9.634 1.00 0.00 C ATOM 1071 O SER A 74 -12.273 2.510 -9.891 1.00 0.00 O ATOM 1072 CB SER A 74 -10.203 2.262 -11.953 1.00 0.00 C ATOM 1073 OG SER A 74 -9.265 1.700 -12.855 1.00 0.00 O ATOM 0 H SER A 74 -11.540 0.141 -11.781 1.00 0.00 H new ATOM 0 HA SER A 74 -9.289 1.254 -10.326 1.00 0.00 H new ATOM 0 HB2 SER A 74 -11.180 2.324 -12.432 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.906 3.280 -11.701 1.00 0.00 H new ATOM 0 HG SER A 74 -9.218 2.252 -13.664 1.00 0.00 H new ATOM 1079 N LEU A 75 -10.557 2.354 -8.444 1.00 0.00 N ATOM 1080 CA LEU A 75 -11.288 3.009 -7.429 1.00 0.00 C ATOM 1081 C LEU A 75 -10.957 4.454 -7.516 1.00 0.00 C ATOM 1082 O LEU A 75 -10.179 4.986 -6.739 1.00 0.00 O ATOM 1083 CB LEU A 75 -10.921 2.461 -6.059 1.00 0.00 C ATOM 1084 CG LEU A 75 -9.461 2.669 -5.683 1.00 0.00 C ATOM 1085 CD1 LEU A 75 -9.322 2.925 -4.191 1.00 0.00 C ATOM 1086 CD2 LEU A 75 -8.625 1.475 -6.101 1.00 0.00 C ATOM 0 H LEU A 75 -9.610 2.072 -8.190 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.357 2.847 -7.564 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.551 2.937 -5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.144 1.394 -6.033 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.094 3.546 -6.216 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.271 3.071 -3.943 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.886 3.818 -3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.710 2.070 -3.637 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.585 1.644 -5.823 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -8.993 0.580 -5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.695 1.342 -7.181 1.00 0.00 H new ATOM 1098 N GLU A 76 -11.557 5.092 -8.471 1.00 0.00 N ATOM 1099 CA GLU A 76 -11.311 6.482 -8.659 1.00 0.00 C ATOM 1100 C GLU A 76 -12.363 7.276 -7.903 1.00 0.00 C ATOM 1101 O GLU A 76 -12.803 8.338 -8.347 1.00 0.00 O ATOM 1102 CB GLU A 76 -11.318 6.845 -10.145 1.00 0.00 C ATOM 1103 CG GLU A 76 -10.307 6.065 -10.968 1.00 0.00 C ATOM 1104 CD GLU A 76 -9.859 6.818 -12.206 1.00 0.00 C ATOM 1105 OE1 GLU A 76 -10.656 6.913 -13.162 1.00 0.00 O ATOM 1106 OE2 GLU A 76 -8.711 7.309 -12.218 1.00 0.00 O ATOM 0 H GLU A 76 -12.216 4.674 -9.128 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.323 6.728 -8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.315 6.669 -10.548 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.115 7.911 -10.251 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -9.438 5.839 -10.350 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.744 5.112 -11.265 1.00 0.00 H new ATOM 1113 N GLY A 77 -12.792 6.721 -6.770 1.00 0.00 N ATOM 1114 CA GLY A 77 -13.814 7.336 -5.976 1.00 0.00 C ATOM 1115 C GLY A 77 -15.106 6.566 -6.098 1.00 0.00 C ATOM 1116 O GLY A 77 -16.194 7.101 -5.881 1.00 0.00 O ATOM 0 H GLY A 77 -12.436 5.842 -6.394 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.501 7.372 -4.932 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.965 8.366 -6.299 1.00 0.00 H new ATOM 1120 N ALA A 78 -14.969 5.291 -6.454 1.00 0.00 N ATOM 1121 CA ALA A 78 -16.103 4.407 -6.620 1.00 0.00 C ATOM 1122 C ALA A 78 -16.420 3.706 -5.322 1.00 0.00 C ATOM 1123 O ALA A 78 -17.561 3.753 -4.868 1.00 0.00 O ATOM 1124 CB ALA A 78 -15.829 3.392 -7.717 1.00 0.00 C ATOM 0 H ALA A 78 -14.067 4.849 -6.634 1.00 0.00 H new ATOM 0 HA ALA A 78 -16.967 5.005 -6.910 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.692 2.735 -7.829 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -15.645 3.913 -8.657 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -14.953 2.799 -7.454 1.00 0.00 H new ATOM 1130 N THR A 79 -15.419 3.042 -4.722 1.00 0.00 N ATOM 1131 CA THR A 79 -15.630 2.333 -3.493 1.00 0.00 C ATOM 1132 C THR A 79 -17.040 1.946 -3.329 1.00 0.00 C ATOM 1133 O THR A 79 -17.454 0.947 -3.900 1.00 0.00 O ATOM 1134 CB THR A 79 -15.152 3.110 -2.295 1.00 0.00 C ATOM 1135 OG1 THR A 79 -15.029 4.494 -2.570 1.00 0.00 O ATOM 1136 CG2 THR A 79 -13.853 2.592 -1.886 1.00 0.00 C ATOM 0 H THR A 79 -14.466 2.994 -5.083 1.00 0.00 H new ATOM 0 HA THR A 79 -15.030 1.425 -3.554 1.00 0.00 H new ATOM 0 HB THR A 79 -15.891 2.992 -1.502 1.00 0.00 H new ATOM 0 HG1 THR A 79 -15.035 4.996 -1.729 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.496 3.147 -1.019 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.947 1.537 -1.628 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.143 2.703 -2.705 1.00 0.00 H new ATOM 1144 N HIS A 80 -17.760 2.726 -2.533 1.00 0.00 N ATOM 1145 CA HIS A 80 -19.148 2.439 -2.273 1.00 0.00 C ATOM 1146 C HIS A 80 -19.418 0.986 -2.639 1.00 0.00 C ATOM 1147 O HIS A 80 -19.414 0.110 -1.776 1.00 0.00 O ATOM 1148 CB HIS A 80 -20.036 3.440 -3.022 1.00 0.00 C ATOM 1149 CG HIS A 80 -21.383 2.925 -3.377 1.00 0.00 C ATOM 1150 ND1 HIS A 80 -21.764 2.236 -4.450 1.00 0.00 N flip ATOM 1151 CD2 HIS A 80 -22.512 3.108 -2.607 1.00 0.00 C flip ATOM 1152 CE1 HIS A 80 -23.112 2.000 -4.338 1.00 0.00 C flip ATOM 1153 NE2 HIS A 80 -23.541 2.539 -3.211 1.00 0.00 N flip ATOM 0 H HIS A 80 -17.400 3.556 -2.062 1.00 0.00 H new ATOM 0 HA HIS A 80 -19.388 2.558 -1.216 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -20.153 4.333 -2.408 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -19.526 3.746 -3.935 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -22.550 3.632 -1.663 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -23.720 1.464 -5.052 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -24.501 2.520 -2.866 1.00 0.00 H new ATOM 1162 N LYS A 81 -19.598 0.719 -3.916 1.00 0.00 N ATOM 1163 CA LYS A 81 -19.783 -0.645 -4.366 1.00 0.00 C ATOM 1164 C LYS A 81 -18.467 -1.422 -4.586 1.00 0.00 C ATOM 1165 O LYS A 81 -18.214 -2.464 -3.986 1.00 0.00 O ATOM 1166 CB LYS A 81 -20.599 -0.657 -5.659 1.00 0.00 C ATOM 1167 CG LYS A 81 -21.060 -2.043 -6.076 1.00 0.00 C ATOM 1168 CD LYS A 81 -21.384 -2.099 -7.560 1.00 0.00 C ATOM 1169 CE LYS A 81 -21.222 -3.506 -8.113 1.00 0.00 C ATOM 1170 NZ LYS A 81 -22.469 -4.306 -7.971 1.00 0.00 N ATOM 0 H LYS A 81 -19.620 1.422 -4.655 1.00 0.00 H new ATOM 0 HA LYS A 81 -20.313 -1.156 -3.562 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -21.471 -0.016 -5.534 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -19.999 -0.226 -6.461 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.283 -2.771 -5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -21.941 -2.323 -5.499 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -22.406 -1.758 -7.723 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -20.730 -1.416 -8.102 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -20.943 -3.452 -9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -20.407 -4.009 -7.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -22.317 -5.258 -8.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -22.722 -4.379 -6.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -23.241 -3.840 -8.489 1.00 0.00 H new ATOM 1184 N GLN A 82 -17.671 -0.903 -5.529 1.00 0.00 N ATOM 1185 CA GLN A 82 -16.434 -1.560 -5.996 1.00 0.00 C ATOM 1186 C GLN A 82 -15.244 -1.593 -5.079 1.00 0.00 C ATOM 1187 O GLN A 82 -14.677 -2.660 -4.868 1.00 0.00 O ATOM 1188 CB GLN A 82 -15.959 -0.864 -7.279 1.00 0.00 C ATOM 1189 CG GLN A 82 -17.097 -0.487 -8.211 1.00 0.00 C ATOM 1190 CD GLN A 82 -16.662 -0.313 -9.650 1.00 0.00 C ATOM 1191 OE1 GLN A 82 -16.024 0.813 -9.945 1.00 0.00 O flip ATOM 1192 NE2 GLN A 82 -16.897 -1.182 -10.491 1.00 0.00 N flip ATOM 0 H GLN A 82 -17.863 -0.015 -5.993 1.00 0.00 H new ATOM 0 HA GLN A 82 -16.746 -2.599 -6.103 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -15.403 0.035 -7.013 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -15.268 -1.521 -7.807 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -17.867 -1.257 -8.162 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -17.551 0.440 -7.862 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -17.390 -2.033 -10.221 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -16.598 -1.051 -11.457 1.00 0.00 H new ATOM 1201 N ALA A 83 -14.799 -0.450 -4.611 1.00 0.00 N ATOM 1202 CA ALA A 83 -13.573 -0.453 -3.808 1.00 0.00 C ATOM 1203 C ALA A 83 -13.755 -0.940 -2.411 1.00 0.00 C ATOM 1204 O ALA A 83 -13.017 -1.798 -1.930 1.00 0.00 O ATOM 1205 CB ALA A 83 -12.814 0.866 -3.881 1.00 0.00 C ATOM 0 H ALA A 83 -15.235 0.461 -4.756 1.00 0.00 H new ATOM 0 HA ALA A 83 -12.936 -1.201 -4.280 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.916 0.803 -3.267 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.533 1.067 -4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.449 1.672 -3.514 1.00 0.00 H new ATOM 1211 N VAL A 84 -14.740 -0.428 -1.777 1.00 0.00 N ATOM 1212 CA VAL A 84 -15.016 -0.826 -0.428 1.00 0.00 C ATOM 1213 C VAL A 84 -15.386 -2.291 -0.400 1.00 0.00 C ATOM 1214 O VAL A 84 -14.962 -3.045 0.480 1.00 0.00 O ATOM 1215 CB VAL A 84 -16.136 0.012 0.208 1.00 0.00 C ATOM 1216 CG1 VAL A 84 -17.054 0.557 -0.855 1.00 0.00 C ATOM 1217 CG2 VAL A 84 -16.929 -0.808 1.207 1.00 0.00 C ATOM 0 H VAL A 84 -15.377 0.270 -2.161 1.00 0.00 H new ATOM 0 HA VAL A 84 -14.114 -0.657 0.160 1.00 0.00 H new ATOM 0 HB VAL A 84 -15.672 0.844 0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.842 1.148 -0.388 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.485 1.187 -1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.500 -0.269 -1.409 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -17.715 -0.191 1.642 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -17.377 -1.663 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -16.265 -1.160 1.997 1.00 0.00 H new ATOM 1227 N GLU A 85 -16.177 -2.688 -1.378 1.00 0.00 N ATOM 1228 CA GLU A 85 -16.601 -4.077 -1.463 1.00 0.00 C ATOM 1229 C GLU A 85 -15.425 -5.003 -1.631 1.00 0.00 C ATOM 1230 O GLU A 85 -15.443 -6.133 -1.145 1.00 0.00 O ATOM 1231 CB GLU A 85 -17.479 -4.304 -2.665 1.00 0.00 C ATOM 1232 CG GLU A 85 -18.399 -5.504 -2.535 1.00 0.00 C ATOM 1233 CD GLU A 85 -19.264 -5.713 -3.764 1.00 0.00 C ATOM 1234 OE1 GLU A 85 -19.943 -4.751 -4.181 1.00 0.00 O ATOM 1235 OE2 GLU A 85 -19.262 -6.837 -4.307 1.00 0.00 O ATOM 0 H GLU A 85 -16.536 -2.081 -2.115 1.00 0.00 H new ATOM 0 HA GLU A 85 -17.134 -4.283 -0.535 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -18.082 -3.412 -2.836 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.848 -4.435 -3.544 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.801 -6.398 -2.360 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -19.039 -5.373 -1.663 1.00 0.00 H new ATOM 1242 N THR A 86 -14.423 -4.553 -2.371 1.00 0.00 N ATOM 1243 CA THR A 86 -13.294 -5.419 -2.627 1.00 0.00 C ATOM 1244 C THR A 86 -12.523 -5.706 -1.353 1.00 0.00 C ATOM 1245 O THR A 86 -12.069 -6.824 -1.135 1.00 0.00 O ATOM 1246 CB THR A 86 -12.343 -4.894 -3.711 1.00 0.00 C ATOM 1247 OG1 THR A 86 -11.000 -5.205 -3.375 1.00 0.00 O ATOM 1248 CG2 THR A 86 -12.409 -3.409 -3.964 1.00 0.00 C ATOM 0 H THR A 86 -14.371 -3.625 -2.790 1.00 0.00 H new ATOM 0 HA THR A 86 -13.722 -6.346 -3.010 1.00 0.00 H new ATOM 0 HB THR A 86 -12.676 -5.392 -4.622 1.00 0.00 H new ATOM 0 HG1 THR A 86 -10.663 -4.548 -2.731 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.699 -3.141 -4.746 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.416 -3.138 -4.280 1.00 0.00 H new ATOM 0 HG23 THR A 86 -12.159 -2.873 -3.049 1.00 0.00 H new ATOM 1256 N LEU A 87 -12.388 -4.702 -0.506 1.00 0.00 N ATOM 1257 CA LEU A 87 -11.679 -4.877 0.754 1.00 0.00 C ATOM 1258 C LEU A 87 -12.412 -5.909 1.594 1.00 0.00 C ATOM 1259 O LEU A 87 -11.803 -6.748 2.258 1.00 0.00 O ATOM 1260 CB LEU A 87 -11.582 -3.550 1.506 1.00 0.00 C ATOM 1261 CG LEU A 87 -11.189 -2.352 0.641 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -11.639 -1.050 1.285 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -9.687 -2.342 0.399 1.00 0.00 C ATOM 0 H LEU A 87 -12.755 -3.764 -0.663 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.665 -5.223 0.553 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -12.544 -3.342 1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.853 -3.656 2.309 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.692 -2.444 -0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.349 -0.212 0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.723 -1.058 1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.169 -0.946 2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.424 -1.483 -0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.165 -2.276 1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.395 -3.259 -0.112 1.00 0.00 H new ATOM 1275 N ARG A 88 -13.734 -5.838 1.535 1.00 0.00 N ATOM 1276 CA ARG A 88 -14.595 -6.758 2.261 1.00 0.00 C ATOM 1277 C ARG A 88 -14.671 -8.109 1.591 1.00 0.00 C ATOM 1278 O ARG A 88 -14.871 -9.121 2.264 1.00 0.00 O ATOM 1279 CB ARG A 88 -15.997 -6.169 2.418 1.00 0.00 C ATOM 1280 CG ARG A 88 -16.050 -4.963 3.342 1.00 0.00 C ATOM 1281 CD ARG A 88 -16.359 -5.371 4.773 1.00 0.00 C ATOM 1282 NE ARG A 88 -15.180 -5.891 5.461 1.00 0.00 N ATOM 1283 CZ ARG A 88 -15.233 -6.627 6.569 1.00 0.00 C ATOM 1284 NH1 ARG A 88 -16.402 -6.932 7.116 1.00 0.00 N ATOM 1285 NH2 ARG A 88 -14.112 -7.061 7.130 1.00 0.00 N ATOM 0 H ARG A 88 -14.238 -5.143 0.984 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.154 -6.903 3.247 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -16.373 -5.881 1.436 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -16.665 -6.940 2.802 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.096 -4.437 3.310 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -16.810 -4.266 2.989 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -16.748 -4.511 5.319 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -17.142 -6.129 4.773 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.263 -5.678 5.070 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -17.267 -6.602 6.688 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.436 -7.496 7.965 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -13.210 -6.831 6.712 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.152 -7.625 7.979 1.00 0.00 H new ATOM 1299 N ASN A 89 -14.554 -8.142 0.273 1.00 0.00 N ATOM 1300 CA ASN A 89 -14.663 -9.401 -0.419 1.00 0.00 C ATOM 1301 C ASN A 89 -13.324 -9.971 -0.860 1.00 0.00 C ATOM 1302 O ASN A 89 -13.246 -11.116 -1.305 1.00 0.00 O ATOM 1303 CB ASN A 89 -15.589 -9.248 -1.613 1.00 0.00 C ATOM 1304 CG ASN A 89 -16.921 -9.944 -1.414 1.00 0.00 C ATOM 1305 OD1 ASN A 89 -17.270 -10.866 -2.151 1.00 0.00 O ATOM 1306 ND2 ASN A 89 -17.675 -9.505 -0.413 1.00 0.00 N ATOM 0 H ASN A 89 -14.388 -7.329 -0.321 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.076 -10.116 0.292 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -15.762 -8.188 -1.800 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -15.101 -9.653 -2.500 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -18.582 -9.935 -0.231 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -17.347 -8.738 0.174 1.00 0.00 H new ATOM 1313 N THR A 90 -12.288 -9.172 -0.734 1.00 0.00 N ATOM 1314 CA THR A 90 -10.935 -9.578 -1.109 1.00 0.00 C ATOM 1315 C THR A 90 -10.683 -11.031 -0.726 1.00 0.00 C ATOM 1316 O THR A 90 -11.351 -11.572 0.157 1.00 0.00 O ATOM 1317 CB THR A 90 -9.901 -8.679 -0.431 1.00 0.00 C ATOM 1318 OG1 THR A 90 -10.409 -8.160 0.786 1.00 0.00 O ATOM 1319 CG2 THR A 90 -9.475 -7.508 -1.287 1.00 0.00 C ATOM 0 H THR A 90 -12.351 -8.221 -0.370 1.00 0.00 H new ATOM 0 HA THR A 90 -10.840 -9.478 -2.190 1.00 0.00 H new ATOM 0 HB THR A 90 -9.034 -9.316 -0.257 1.00 0.00 H new ATOM 0 HG1 THR A 90 -9.733 -7.588 1.205 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.741 -6.911 -0.747 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.033 -7.876 -2.213 1.00 0.00 H new ATOM 0 HG23 THR A 90 -10.344 -6.892 -1.519 1.00 0.00 H new ATOM 1327 N GLY A 91 -9.722 -11.660 -1.385 1.00 0.00 N ATOM 1328 CA GLY A 91 -9.421 -13.045 -1.078 1.00 0.00 C ATOM 1329 C GLY A 91 -9.838 -14.003 -2.179 1.00 0.00 C ATOM 1330 O GLY A 91 -8.986 -14.656 -2.782 1.00 0.00 O ATOM 0 H GLY A 91 -9.150 -11.243 -2.119 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.350 -13.147 -0.902 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -9.925 -13.323 -0.152 1.00 0.00 H new ATOM 1334 N GLN A 92 -11.150 -14.093 -2.451 1.00 0.00 N ATOM 1335 CA GLN A 92 -11.658 -14.986 -3.505 1.00 0.00 C ATOM 1336 C GLN A 92 -10.656 -15.045 -4.650 1.00 0.00 C ATOM 1337 O GLN A 92 -10.348 -16.109 -5.184 1.00 0.00 O ATOM 1338 CB GLN A 92 -13.014 -14.495 -4.015 1.00 0.00 C ATOM 1339 CG GLN A 92 -12.959 -13.122 -4.664 1.00 0.00 C ATOM 1340 CD GLN A 92 -14.329 -12.485 -4.798 1.00 0.00 C ATOM 1341 OE1 GLN A 92 -15.348 -13.176 -4.813 1.00 0.00 O ATOM 1342 NE2 GLN A 92 -14.360 -11.161 -4.895 1.00 0.00 N ATOM 0 H GLN A 92 -11.872 -13.564 -1.961 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.789 -15.985 -3.090 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.403 -15.213 -4.736 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.717 -14.466 -3.183 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.316 -12.470 -4.073 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.505 -13.209 -5.651 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -13.491 -10.628 -4.878 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.253 -10.677 -4.986 1.00 0.00 H new ATOM 1351 N VAL A 93 -10.130 -13.876 -4.974 1.00 0.00 N ATOM 1352 CA VAL A 93 -9.161 -13.680 -5.954 1.00 0.00 C ATOM 1353 C VAL A 93 -8.985 -12.198 -6.087 1.00 0.00 C ATOM 1354 O VAL A 93 -9.898 -11.484 -6.503 1.00 0.00 O ATOM 1355 CB VAL A 93 -9.506 -14.328 -7.265 1.00 0.00 C ATOM 1356 CG1 VAL A 93 -10.415 -13.463 -8.131 1.00 0.00 C ATOM 1357 CG2 VAL A 93 -8.190 -14.598 -7.897 1.00 0.00 C ATOM 0 H VAL A 93 -10.407 -13.009 -4.513 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.229 -14.161 -5.657 1.00 0.00 H new ATOM 0 HB VAL A 93 -10.087 -15.240 -7.130 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.630 -13.983 -9.065 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -11.347 -13.270 -7.600 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.918 -12.517 -8.348 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.342 -15.074 -8.866 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.653 -13.660 -8.034 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.607 -15.259 -7.256 1.00 0.00 H new ATOM 1367 N VAL A 94 -7.857 -11.719 -5.628 1.00 0.00 N ATOM 1368 CA VAL A 94 -7.641 -10.323 -5.597 1.00 0.00 C ATOM 1369 C VAL A 94 -6.499 -9.870 -6.465 1.00 0.00 C ATOM 1370 O VAL A 94 -5.405 -10.431 -6.478 1.00 0.00 O ATOM 1371 CB VAL A 94 -7.362 -9.880 -4.188 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -5.940 -9.415 -4.155 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -8.334 -8.791 -3.729 1.00 0.00 C ATOM 0 H VAL A 94 -7.085 -12.285 -5.275 1.00 0.00 H new ATOM 0 HA VAL A 94 -8.553 -9.871 -5.987 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.509 -10.705 -3.491 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.689 -9.082 -3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.282 -10.236 -4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.811 -8.588 -4.853 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.097 -8.500 -2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.244 -7.924 -4.383 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.354 -9.173 -3.771 1.00 0.00 H new ATOM 1383 N HIS A 95 -6.791 -8.811 -7.128 1.00 0.00 N ATOM 1384 CA HIS A 95 -5.842 -8.120 -7.980 1.00 0.00 C ATOM 1385 C HIS A 95 -5.885 -6.624 -7.729 1.00 0.00 C ATOM 1386 O HIS A 95 -6.921 -5.999 -7.930 1.00 0.00 O ATOM 1387 CB HIS A 95 -6.091 -8.494 -9.417 1.00 0.00 C ATOM 1388 CG HIS A 95 -5.694 -9.906 -9.611 1.00 0.00 C ATOM 1389 ND1 HIS A 95 -6.409 -10.951 -9.108 1.00 0.00 N ATOM 1390 CD2 HIS A 95 -4.575 -10.440 -10.113 1.00 0.00 C ATOM 1391 CE1 HIS A 95 -5.722 -12.054 -9.296 1.00 0.00 C ATOM 1392 NE2 HIS A 95 -4.625 -11.771 -9.915 1.00 0.00 N ATOM 0 H HIS A 95 -7.713 -8.376 -7.105 1.00 0.00 H new ATOM 0 HA HIS A 95 -4.826 -8.433 -7.738 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -7.143 -8.359 -9.666 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.520 -7.845 -10.081 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.773 -9.899 -10.593 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -6.026 -13.042 -8.982 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.915 -12.443 -10.205 1.00 0.00 H new ATOM 1401 N LEU A 96 -4.794 -6.048 -7.244 1.00 0.00 N ATOM 1402 CA LEU A 96 -4.784 -4.668 -6.935 1.00 0.00 C ATOM 1403 C LEU A 96 -3.680 -3.862 -7.512 1.00 0.00 C ATOM 1404 O LEU A 96 -2.528 -4.216 -7.426 1.00 0.00 O ATOM 1405 CB LEU A 96 -4.723 -4.483 -5.446 1.00 0.00 C ATOM 1406 CG LEU A 96 -5.879 -3.688 -5.041 1.00 0.00 C ATOM 1407 CD1 LEU A 96 -6.330 -4.004 -3.621 1.00 0.00 C ATOM 1408 CD2 LEU A 96 -5.621 -2.200 -5.257 1.00 0.00 C ATOM 0 H LEU A 96 -3.916 -6.535 -7.064 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.704 -4.302 -7.390 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.730 -5.449 -4.942 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.798 -3.982 -5.162 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.713 -3.968 -5.685 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.192 -3.387 -3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.604 -5.057 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.517 -3.795 -2.926 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.497 -1.630 -4.948 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.759 -1.891 -4.665 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.422 -2.015 -6.313 1.00 0.00 H new ATOM 1420 N LEU A 97 -4.067 -2.703 -7.994 1.00 0.00 N ATOM 1421 CA LEU A 97 -3.119 -1.740 -8.477 1.00 0.00 C ATOM 1422 C LEU A 97 -3.097 -0.562 -7.513 1.00 0.00 C ATOM 1423 O LEU A 97 -4.087 0.153 -7.367 1.00 0.00 O ATOM 1424 CB LEU A 97 -3.493 -1.271 -9.873 1.00 0.00 C ATOM 1425 CG LEU A 97 -3.019 -2.200 -10.967 1.00 0.00 C ATOM 1426 CD1 LEU A 97 -3.581 -1.784 -12.317 1.00 0.00 C ATOM 1427 CD2 LEU A 97 -1.500 -2.222 -10.986 1.00 0.00 C ATOM 0 H LEU A 97 -5.041 -2.408 -8.060 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.130 -2.196 -8.534 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.577 -1.171 -9.936 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.071 -0.280 -10.040 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.384 -3.207 -10.763 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -3.224 -2.469 -13.086 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.670 -1.813 -12.282 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.252 -0.772 -12.552 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.156 -2.891 -11.774 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.124 -1.216 -11.174 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.129 -2.574 -10.023 1.00 0.00 H new ATOM 1439 N LEU A 98 -1.968 -0.387 -6.846 1.00 0.00 N ATOM 1440 CA LEU A 98 -1.795 0.685 -5.861 1.00 0.00 C ATOM 1441 C LEU A 98 -0.821 1.734 -6.332 1.00 0.00 C ATOM 1442 O LEU A 98 0.089 1.451 -7.106 1.00 0.00 O ATOM 1443 CB LEU A 98 -1.304 0.096 -4.541 1.00 0.00 C ATOM 1444 CG LEU A 98 0.089 0.546 -4.078 1.00 0.00 C ATOM 1445 CD1 LEU A 98 -0.016 1.784 -3.192 1.00 0.00 C ATOM 1446 CD2 LEU A 98 0.758 -0.609 -3.369 1.00 0.00 C ATOM 0 H LEU A 98 -1.145 -0.977 -6.966 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.764 1.165 -5.724 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.023 0.351 -3.763 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.302 -0.990 -4.630 1.00 0.00 H new ATOM 0 HG LEU A 98 0.700 0.828 -4.935 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.981 2.089 -2.873 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.481 2.595 -3.753 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.623 1.554 -2.316 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.750 -0.305 -3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.158 -0.904 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.849 -1.452 -4.053 1.00 0.00 H new ATOM 1458 N GLU A 99 -0.998 2.939 -5.823 1.00 0.00 N ATOM 1459 CA GLU A 99 -0.095 4.028 -6.163 1.00 0.00 C ATOM 1460 C GLU A 99 0.434 4.736 -4.927 1.00 0.00 C ATOM 1461 O GLU A 99 -0.308 5.329 -4.146 1.00 0.00 O ATOM 1462 CB GLU A 99 -0.744 5.037 -7.103 1.00 0.00 C ATOM 1463 CG GLU A 99 -0.566 4.702 -8.572 1.00 0.00 C ATOM 1464 CD GLU A 99 0.423 5.619 -9.266 1.00 0.00 C ATOM 1465 OE1 GLU A 99 1.255 6.233 -8.565 1.00 0.00 O ATOM 1466 OE2 GLU A 99 0.365 5.723 -10.509 1.00 0.00 O ATOM 0 H GLU A 99 -1.749 3.189 -5.180 1.00 0.00 H new ATOM 0 HA GLU A 99 0.747 3.570 -6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -1.809 5.096 -6.879 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -0.322 6.024 -6.910 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -0.227 3.670 -8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -1.531 4.768 -9.075 1.00 0.00 H new ATOM 1473 N LYS A 100 1.739 4.655 -4.767 1.00 0.00 N ATOM 1474 CA LYS A 100 2.423 5.261 -3.648 1.00 0.00 C ATOM 1475 C LYS A 100 2.359 6.777 -3.692 1.00 0.00 C ATOM 1476 O LYS A 100 2.988 7.415 -4.537 1.00 0.00 O ATOM 1477 CB LYS A 100 3.871 4.789 -3.650 1.00 0.00 C ATOM 1478 CG LYS A 100 4.338 4.314 -2.292 1.00 0.00 C ATOM 1479 CD LYS A 100 3.374 3.278 -1.740 1.00 0.00 C ATOM 1480 CE LYS A 100 4.052 1.948 -1.482 1.00 0.00 C ATOM 1481 NZ LYS A 100 3.406 0.846 -2.243 1.00 0.00 N ATOM 0 H LYS A 100 2.356 4.164 -5.414 1.00 0.00 H new ATOM 0 HA LYS A 100 1.926 4.953 -2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.983 3.979 -4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.513 5.604 -3.985 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.337 3.886 -2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.407 5.159 -1.607 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.938 3.648 -0.812 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.554 3.136 -2.444 1.00 0.00 H new ATOM 0 HE2 LYS A 100 5.104 2.015 -1.761 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.018 1.723 -0.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 3.295 0.017 -1.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.472 1.156 -2.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.999 0.593 -3.059 1.00 0.00 H new ATOM 1495 N GLY A 101 1.605 7.349 -2.760 1.00 0.00 N ATOM 1496 CA GLY A 101 1.490 8.788 -2.698 1.00 0.00 C ATOM 1497 C GLY A 101 1.278 9.275 -1.285 1.00 0.00 C ATOM 1498 O GLY A 101 0.537 10.228 -1.044 1.00 0.00 O ATOM 0 H GLY A 101 1.075 6.842 -2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.392 9.242 -3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.658 9.113 -3.323 1.00 0.00 H new ATOM 1502 N GLN A 102 1.933 8.604 -0.349 1.00 0.00 N ATOM 1503 CA GLN A 102 1.831 8.938 1.054 1.00 0.00 C ATOM 1504 C GLN A 102 2.887 9.962 1.454 1.00 0.00 C ATOM 1505 O GLN A 102 3.649 10.443 0.616 1.00 0.00 O ATOM 1506 CB GLN A 102 1.967 7.674 1.905 1.00 0.00 C ATOM 1507 CG GLN A 102 0.649 6.954 2.137 1.00 0.00 C ATOM 1508 CD GLN A 102 0.179 7.052 3.576 1.00 0.00 C ATOM 1509 OE1 GLN A 102 -0.795 7.742 3.878 1.00 0.00 O ATOM 1510 NE2 GLN A 102 0.872 6.360 4.473 1.00 0.00 N ATOM 0 H GLN A 102 2.548 7.814 -0.546 1.00 0.00 H new ATOM 0 HA GLN A 102 0.851 9.381 1.229 1.00 0.00 H new ATOM 0 HB2 GLN A 102 2.664 6.991 1.419 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.401 7.940 2.869 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -0.112 7.375 1.480 1.00 0.00 H new ATOM 0 HG3 GLN A 102 0.759 5.904 1.865 1.00 0.00 H new ATOM 0 HE21 GLN A 102 1.673 5.801 4.178 1.00 0.00 H new ATOM 0 HE22 GLN A 102 0.603 6.387 5.457 1.00 0.00 H new ATOM 1519 N SER A 103 2.928 10.292 2.742 1.00 0.00 N ATOM 1520 CA SER A 103 3.891 11.259 3.253 1.00 0.00 C ATOM 1521 C SER A 103 3.790 11.380 4.772 1.00 0.00 C ATOM 1522 O SER A 103 3.078 12.241 5.288 1.00 0.00 O ATOM 1523 CB SER A 103 3.665 12.627 2.605 1.00 0.00 C ATOM 1524 OG SER A 103 4.896 13.283 2.353 1.00 0.00 O ATOM 0 H SER A 103 2.305 9.903 3.450 1.00 0.00 H new ATOM 0 HA SER A 103 4.891 10.905 3.001 1.00 0.00 H new ATOM 0 HB2 SER A 103 3.117 12.504 1.671 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.048 13.244 3.258 1.00 0.00 H new ATOM 0 HG SER A 103 4.724 14.154 1.938 1.00 0.00 H new ATOM 1530 N PRO A 104 4.505 10.513 5.509 1.00 0.00 N ATOM 1531 CA PRO A 104 4.493 10.524 6.974 1.00 0.00 C ATOM 1532 C PRO A 104 5.144 11.748 7.551 1.00 0.00 C ATOM 1533 O PRO A 104 5.714 12.572 6.836 1.00 0.00 O ATOM 1534 CB PRO A 104 5.265 9.261 7.356 1.00 0.00 C ATOM 1535 CG PRO A 104 6.143 8.987 6.184 1.00 0.00 C ATOM 1536 CD PRO A 104 5.380 9.454 4.975 1.00 0.00 C ATOM 0 HA PRO A 104 3.476 10.544 7.367 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.851 9.414 8.263 1.00 0.00 H new ATOM 0 HB3 PRO A 104 4.590 8.427 7.549 1.00 0.00 H new ATOM 0 HG2 PRO A 104 7.091 9.516 6.275 1.00 0.00 H new ATOM 0 HG3 PRO A 104 6.377 7.925 6.111 1.00 0.00 H new ATOM 0 HD2 PRO A 104 6.047 9.836 4.202 1.00 0.00 H new ATOM 0 HD3 PRO A 104 4.803 8.645 4.527 1.00 0.00 H new ATOM 1544 N THR A 105 5.014 11.878 8.856 1.00 0.00 N ATOM 1545 CA THR A 105 5.546 13.022 9.543 1.00 0.00 C ATOM 1546 C THR A 105 7.050 13.160 9.320 1.00 0.00 C ATOM 1547 O THR A 105 7.574 14.270 9.224 1.00 0.00 O ATOM 1548 CB THR A 105 5.234 12.949 11.039 1.00 0.00 C ATOM 1549 OG1 THR A 105 6.049 11.981 11.674 1.00 0.00 O ATOM 1550 CG2 THR A 105 3.792 12.600 11.333 1.00 0.00 C ATOM 0 H THR A 105 4.543 11.201 9.456 1.00 0.00 H new ATOM 0 HA THR A 105 5.064 13.907 9.128 1.00 0.00 H new ATOM 0 HB THR A 105 5.434 13.948 11.425 1.00 0.00 H new ATOM 0 HG1 THR A 105 5.836 11.950 12.630 1.00 0.00 H new ATOM 0 HG21 THR A 105 3.639 12.565 12.412 1.00 0.00 H new ATOM 0 HG22 THR A 105 3.139 13.356 10.898 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.558 11.627 10.901 1.00 0.00 H new ATOM 1558 N SER A 106 7.737 12.025 9.237 1.00 0.00 N ATOM 1559 CA SER A 106 9.180 12.019 9.026 1.00 0.00 C ATOM 1560 C SER A 106 9.543 12.716 7.719 1.00 0.00 C ATOM 1561 O SER A 106 10.473 13.522 7.672 1.00 0.00 O ATOM 1562 CB SER A 106 9.709 10.583 9.016 1.00 0.00 C ATOM 1563 OG SER A 106 10.974 10.501 9.648 1.00 0.00 O ATOM 0 H SER A 106 7.318 11.098 9.313 1.00 0.00 H new ATOM 0 HA SER A 106 9.644 12.565 9.848 1.00 0.00 H new ATOM 0 HB2 SER A 106 9.002 9.928 9.525 1.00 0.00 H new ATOM 0 HB3 SER A 106 9.789 10.229 7.988 1.00 0.00 H new ATOM 0 HG SER A 106 11.289 9.573 9.630 1.00 0.00 H new ATOM 1569 N LYS A 107 8.804 12.401 6.661 1.00 0.00 N ATOM 1570 CA LYS A 107 9.049 12.998 5.352 1.00 0.00 C ATOM 1571 C LYS A 107 8.222 14.266 5.169 1.00 0.00 C ATOM 1572 O LYS A 107 8.767 15.367 5.080 1.00 0.00 O ATOM 1573 CB LYS A 107 8.723 11.997 4.243 1.00 0.00 C ATOM 1574 CG LYS A 107 9.779 10.917 4.068 1.00 0.00 C ATOM 1575 CD LYS A 107 11.076 11.491 3.521 1.00 0.00 C ATOM 1576 CE LYS A 107 12.289 10.842 4.166 1.00 0.00 C ATOM 1577 NZ LYS A 107 12.841 11.671 5.273 1.00 0.00 N ATOM 0 H LYS A 107 8.031 11.736 6.683 1.00 0.00 H new ATOM 0 HA LYS A 107 10.105 13.263 5.293 1.00 0.00 H new ATOM 0 HB2 LYS A 107 7.765 11.525 4.461 1.00 0.00 H new ATOM 0 HB3 LYS A 107 8.606 12.535 3.302 1.00 0.00 H new ATOM 0 HG2 LYS A 107 9.969 10.434 5.026 1.00 0.00 H new ATOM 0 HG3 LYS A 107 9.406 10.148 3.392 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.114 11.343 2.442 1.00 0.00 H new ATOM 0 HD3 LYS A 107 11.101 12.567 3.696 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.013 9.860 4.551 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.060 10.684 3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 13.667 11.193 5.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.128 12.599 4.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 12.114 11.801 6.005 1.00 0.00 H new ATOM 1591 N GLU A 108 6.904 14.105 5.113 1.00 0.00 N ATOM 1592 CA GLU A 108 6.002 15.237 4.941 1.00 0.00 C ATOM 1593 C GLU A 108 6.280 15.957 3.625 1.00 0.00 C ATOM 1594 O GLU A 108 5.665 17.020 3.393 1.00 0.00 O ATOM 1595 CB GLU A 108 6.144 16.213 6.110 1.00 0.00 C ATOM 1596 CG GLU A 108 5.334 15.818 7.334 1.00 0.00 C ATOM 1597 CD GLU A 108 4.800 17.018 8.091 1.00 0.00 C ATOM 1598 OE1 GLU A 108 5.619 17.831 8.570 1.00 0.00 O ATOM 1599 OE2 GLU A 108 3.564 17.144 8.207 1.00 0.00 O ATOM 1600 OXT GLU A 108 7.108 15.453 2.839 1.00 0.00 O ATOM 0 H GLU A 108 6.437 13.201 5.184 1.00 0.00 H new ATOM 0 HA GLU A 108 4.981 14.856 4.918 1.00 0.00 H new ATOM 0 HB2 GLU A 108 7.196 16.284 6.388 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.833 17.205 5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.500 15.187 7.025 1.00 0.00 H new ATOM 0 HG3 GLU A 108 5.957 15.220 8.000 1.00 0.00 H new TER 1607 GLU A 108