USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 641 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 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 48 MET CE :methyl 163:sc= -0.0214 (180deg=-0.415) USER MOD Set 2.1: A 24 MET CE :methyl -161:sc= 0 (180deg=-0.668) USER MOD Set 2.2: A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -167:sc= 0 (180deg=-0.0388) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -160:sc= -0.854 USER MOD Single : A 16 ASN : amide:sc= -0.0976 X(o=-0.098,f=-0.45) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -160:sc= 0 USER MOD Single : A 22 GLN :FLIP amide:sc= -11.7! C(o=-16!,f=-12!) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 31 TYR OH : rot -69:sc= -0.17 USER MOD Single : A 36 GLN : amide:sc= -13.4! C(o=-13!,f=-21!) USER MOD Single : A 39 HIS : no HD1:sc= -0.608 X(o=-0.61,f=-0.14) USER MOD Single : A 41 GLN : amide:sc= -2.06 X(o=-2.1,f=-1.9!) USER MOD Single : A 46 THR OG1 : rot 52:sc= -7.6! USER MOD Single : A 52 MET CE :methyl 141:sc= -0.488 (180deg=-2.03) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.184) USER MOD Single : A 70 LYS NZ :NH3+ -143:sc=-0.00402 (180deg=-1.26!) USER MOD Single : A 75 MET CE :methyl -149:sc= -0.548 (180deg=-1.93!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -1.7 K(o=-1.7,f=-2.5!) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 84 HIS :FLIP no HD1:sc= -1.02 F(o=-2.1,f=-1) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.258 -2.092 11.300 1.00 0.00 N ATOM 2 CA GLY A 1 30.675 -1.681 11.502 1.00 0.00 C ATOM 3 C GLY A 1 31.352 -1.275 10.205 1.00 0.00 C ATOM 4 O GLY A 1 32.019 -2.093 9.571 1.00 0.00 O ATOM 0 H1 GLY A 1 28.778 -2.147 12.221 1.00 0.00 H new ATOM 0 H2 GLY A 1 28.776 -1.393 10.699 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.229 -3.024 10.839 1.00 0.00 H new ATOM 0 HA2 GLY A 1 30.712 -0.848 12.204 1.00 0.00 H new ATOM 0 HA3 GLY A 1 31.228 -2.504 11.955 1.00 0.00 H new ATOM 10 N PRO A 2 31.199 -0.008 9.784 1.00 0.00 N ATOM 11 CA PRO A 2 31.808 0.491 8.547 1.00 0.00 C ATOM 12 C PRO A 2 33.305 0.207 8.483 1.00 0.00 C ATOM 13 O PRO A 2 34.058 0.585 9.381 1.00 0.00 O ATOM 14 CB PRO A 2 31.552 1.999 8.608 1.00 0.00 C ATOM 15 CG PRO A 2 30.344 2.143 9.467 1.00 0.00 C ATOM 16 CD PRO A 2 30.420 1.034 10.479 1.00 0.00 C ATOM 0 HA PRO A 2 31.389 0.009 7.663 1.00 0.00 H new ATOM 0 HB2 PRO A 2 32.405 2.529 9.032 1.00 0.00 H new ATOM 0 HB3 PRO A 2 31.383 2.412 7.614 1.00 0.00 H new ATOM 0 HG2 PRO A 2 30.327 3.117 9.956 1.00 0.00 H new ATOM 0 HG3 PRO A 2 29.432 2.068 8.874 1.00 0.00 H new ATOM 0 HD2 PRO A 2 30.912 1.359 11.396 1.00 0.00 H new ATOM 0 HD3 PRO A 2 29.429 0.676 10.758 1.00 0.00 H new ATOM 24 N LEU A 3 33.730 -0.461 7.417 1.00 0.00 N ATOM 25 CA LEU A 3 35.138 -0.796 7.236 1.00 0.00 C ATOM 26 C LEU A 3 35.656 -0.268 5.901 1.00 0.00 C ATOM 27 O LEU A 3 35.775 -1.016 4.930 1.00 0.00 O ATOM 28 CB LEU A 3 35.337 -2.312 7.309 1.00 0.00 C ATOM 29 CG LEU A 3 35.503 -2.875 8.721 1.00 0.00 C ATOM 30 CD1 LEU A 3 34.910 -4.272 8.812 1.00 0.00 C ATOM 31 CD2 LEU A 3 36.972 -2.891 9.118 1.00 0.00 C ATOM 0 H LEU A 3 33.120 -0.781 6.665 1.00 0.00 H new ATOM 0 HA LEU A 3 35.704 -0.323 8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 3 34.483 -2.798 6.838 1.00 0.00 H new ATOM 0 HB3 LEU A 3 36.217 -2.576 6.723 1.00 0.00 H new ATOM 0 HG LEU A 3 34.966 -2.229 9.415 1.00 0.00 H new ATOM 0 HD11 LEU A 3 35.038 -4.656 9.824 1.00 0.00 H new ATOM 0 HD12 LEU A 3 33.848 -4.233 8.570 1.00 0.00 H new ATOM 0 HD13 LEU A 3 35.419 -4.930 8.107 1.00 0.00 H new ATOM 0 HD21 LEU A 3 37.072 -3.295 10.126 1.00 0.00 H new ATOM 0 HD22 LEU A 3 37.531 -3.515 8.420 1.00 0.00 H new ATOM 0 HD23 LEU A 3 37.367 -1.875 9.093 1.00 0.00 H new ATOM 43 N GLY A 4 35.963 1.024 5.861 1.00 0.00 N ATOM 44 CA GLY A 4 36.464 1.630 4.642 1.00 0.00 C ATOM 45 C GLY A 4 35.351 2.055 3.704 1.00 0.00 C ATOM 46 O GLY A 4 34.828 3.163 3.813 1.00 0.00 O ATOM 0 H GLY A 4 35.874 1.662 6.651 1.00 0.00 H new ATOM 0 HA2 GLY A 4 37.072 2.498 4.895 1.00 0.00 H new ATOM 0 HA3 GLY A 4 37.116 0.922 4.130 1.00 0.00 H new ATOM 50 N SER A 5 34.989 1.171 2.780 1.00 0.00 N ATOM 51 CA SER A 5 33.931 1.461 1.819 1.00 0.00 C ATOM 52 C SER A 5 32.561 1.448 2.497 1.00 0.00 C ATOM 53 O SER A 5 32.225 0.503 3.211 1.00 0.00 O ATOM 54 CB SER A 5 33.956 0.440 0.680 1.00 0.00 C ATOM 55 OG SER A 5 32.818 0.576 -0.153 1.00 0.00 O ATOM 0 H SER A 5 35.412 0.249 2.676 1.00 0.00 H new ATOM 0 HA SER A 5 34.107 2.457 1.412 1.00 0.00 H new ATOM 0 HB2 SER A 5 34.862 0.573 0.088 1.00 0.00 H new ATOM 0 HB3 SER A 5 33.990 -0.568 1.092 1.00 0.00 H new ATOM 0 HG SER A 5 32.859 -0.087 -0.874 1.00 0.00 H new ATOM 61 N PRO A 6 31.747 2.499 2.285 1.00 0.00 N ATOM 62 CA PRO A 6 30.412 2.593 2.885 1.00 0.00 C ATOM 63 C PRO A 6 29.551 1.373 2.575 1.00 0.00 C ATOM 64 O PRO A 6 29.151 0.637 3.478 1.00 0.00 O ATOM 65 CB PRO A 6 29.813 3.847 2.241 1.00 0.00 C ATOM 66 CG PRO A 6 30.988 4.659 1.822 1.00 0.00 C ATOM 67 CD PRO A 6 32.060 3.673 1.450 1.00 0.00 C ATOM 0 HA PRO A 6 30.460 2.641 3.973 1.00 0.00 H new ATOM 0 HB2 PRO A 6 29.185 3.592 1.388 1.00 0.00 H new ATOM 0 HB3 PRO A 6 29.186 4.393 2.946 1.00 0.00 H new ATOM 0 HG2 PRO A 6 30.738 5.301 0.977 1.00 0.00 H new ATOM 0 HG3 PRO A 6 31.320 5.311 2.630 1.00 0.00 H new ATOM 0 HD2 PRO A 6 32.032 3.430 0.388 1.00 0.00 H new ATOM 0 HD3 PRO A 6 33.056 4.063 1.661 1.00 0.00 H new ATOM 75 N ILE A 7 29.271 1.164 1.293 1.00 0.00 N ATOM 76 CA ILE A 7 28.458 0.034 0.863 1.00 0.00 C ATOM 77 C ILE A 7 29.150 -1.289 1.171 1.00 0.00 C ATOM 78 O ILE A 7 30.333 -1.466 0.876 1.00 0.00 O ATOM 79 CB ILE A 7 28.151 0.103 -0.647 1.00 0.00 C ATOM 80 CG1 ILE A 7 27.596 1.480 -1.016 1.00 0.00 C ATOM 81 CG2 ILE A 7 27.170 -0.992 -1.039 1.00 0.00 C ATOM 82 CD1 ILE A 7 28.145 2.024 -2.317 1.00 0.00 C ATOM 0 H ILE A 7 29.596 1.763 0.534 1.00 0.00 H new ATOM 0 HA ILE A 7 27.522 0.089 1.418 1.00 0.00 H new ATOM 0 HB ILE A 7 29.079 -0.053 -1.198 1.00 0.00 H new ATOM 0 HG12 ILE A 7 26.510 1.418 -1.087 1.00 0.00 H new ATOM 0 HG13 ILE A 7 27.824 2.182 -0.213 1.00 0.00 H new ATOM 0 HG21 ILE A 7 26.963 -0.930 -2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 7 27.601 -1.966 -0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 7 26.242 -0.865 -0.482 1.00 0.00 H new ATOM 0 HD11 ILE A 7 27.708 3.003 -2.515 1.00 0.00 H new ATOM 0 HD12 ILE A 7 29.228 2.118 -2.244 1.00 0.00 H new ATOM 0 HD13 ILE A 7 27.895 1.343 -3.131 1.00 0.00 H new ATOM 94 N GLY A 8 28.406 -2.218 1.763 1.00 0.00 N ATOM 95 CA GLY A 8 28.966 -3.514 2.100 1.00 0.00 C ATOM 96 C GLY A 8 28.790 -3.859 3.566 1.00 0.00 C ATOM 97 O GLY A 8 28.149 -4.855 3.903 1.00 0.00 O ATOM 0 H GLY A 8 27.425 -2.096 2.015 1.00 0.00 H new ATOM 0 HA2 GLY A 8 28.490 -4.282 1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 8 30.028 -3.523 1.853 1.00 0.00 H new ATOM 101 N ALA A 9 29.361 -3.035 4.438 1.00 0.00 N ATOM 102 CA ALA A 9 29.264 -3.259 5.875 1.00 0.00 C ATOM 103 C ALA A 9 27.887 -2.868 6.401 1.00 0.00 C ATOM 104 O ALA A 9 27.314 -3.562 7.241 1.00 0.00 O ATOM 105 CB ALA A 9 30.350 -2.480 6.604 1.00 0.00 C ATOM 0 H ALA A 9 29.895 -2.207 4.175 1.00 0.00 H new ATOM 0 HA ALA A 9 29.406 -4.323 6.062 1.00 0.00 H new ATOM 0 HB1 ALA A 9 30.266 -2.656 7.676 1.00 0.00 H new ATOM 0 HB2 ALA A 9 31.329 -2.810 6.257 1.00 0.00 H new ATOM 0 HB3 ALA A 9 30.233 -1.416 6.401 1.00 0.00 H new ATOM 111 N LEU A 10 27.363 -1.754 5.903 1.00 0.00 N ATOM 112 CA LEU A 10 26.053 -1.271 6.323 1.00 0.00 C ATOM 113 C LEU A 10 24.953 -2.235 5.891 1.00 0.00 C ATOM 114 O LEU A 10 24.034 -2.528 6.657 1.00 0.00 O ATOM 115 CB LEU A 10 25.787 0.119 5.741 1.00 0.00 C ATOM 116 CG LEU A 10 24.594 0.857 6.348 1.00 0.00 C ATOM 117 CD1 LEU A 10 24.915 1.318 7.761 1.00 0.00 C ATOM 118 CD2 LEU A 10 24.201 2.041 5.476 1.00 0.00 C ATOM 0 H LEU A 10 27.825 -1.168 5.208 1.00 0.00 H new ATOM 0 HA LEU A 10 26.049 -1.208 7.411 1.00 0.00 H new ATOM 0 HB2 LEU A 10 26.680 0.730 5.876 1.00 0.00 H new ATOM 0 HB3 LEU A 10 25.627 0.022 4.667 1.00 0.00 H new ATOM 0 HG LEU A 10 23.750 0.169 6.395 1.00 0.00 H new ATOM 0 HD11 LEU A 10 24.054 1.841 8.177 1.00 0.00 H new ATOM 0 HD12 LEU A 10 25.149 0.453 8.382 1.00 0.00 H new ATOM 0 HD13 LEU A 10 25.772 1.991 7.738 1.00 0.00 H new ATOM 0 HD21 LEU A 10 23.350 2.555 5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 10 25.042 2.730 5.398 1.00 0.00 H new ATOM 0 HD23 LEU A 10 23.929 1.686 4.482 1.00 0.00 H new ATOM 130 N ALA A 11 25.052 -2.726 4.660 1.00 0.00 N ATOM 131 CA ALA A 11 24.066 -3.658 4.127 1.00 0.00 C ATOM 132 C ALA A 11 22.668 -3.047 4.142 1.00 0.00 C ATOM 133 O ALA A 11 21.681 -3.739 4.389 1.00 0.00 O ATOM 134 CB ALA A 11 24.085 -4.956 4.918 1.00 0.00 C ATOM 0 H ALA A 11 25.805 -2.494 4.013 1.00 0.00 H new ATOM 0 HA ALA A 11 24.329 -3.873 3.091 1.00 0.00 H new ATOM 0 HB1 ALA A 11 23.344 -5.642 4.509 1.00 0.00 H new ATOM 0 HB2 ALA A 11 25.074 -5.408 4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 11 23.851 -4.749 5.962 1.00 0.00 H new ATOM 140 N SER A 12 22.594 -1.747 3.878 1.00 0.00 N ATOM 141 CA SER A 12 21.317 -1.042 3.862 1.00 0.00 C ATOM 142 C SER A 12 20.448 -1.515 2.702 1.00 0.00 C ATOM 143 O SER A 12 19.236 -1.675 2.847 1.00 0.00 O ATOM 144 CB SER A 12 21.546 0.468 3.762 1.00 0.00 C ATOM 145 OG SER A 12 21.578 1.066 5.046 1.00 0.00 O ATOM 0 H SER A 12 23.403 -1.160 3.672 1.00 0.00 H new ATOM 0 HA SER A 12 20.797 -1.263 4.794 1.00 0.00 H new ATOM 0 HB2 SER A 12 22.485 0.663 3.243 1.00 0.00 H new ATOM 0 HB3 SER A 12 20.753 0.920 3.167 1.00 0.00 H new ATOM 0 HG SER A 12 21.407 2.027 4.963 1.00 0.00 H new ATOM 151 N ALA A 13 21.074 -1.736 1.551 1.00 0.00 N ATOM 152 CA ALA A 13 20.359 -2.190 0.365 1.00 0.00 C ATOM 153 C ALA A 13 19.710 -3.548 0.603 1.00 0.00 C ATOM 154 O ALA A 13 18.589 -3.800 0.159 1.00 0.00 O ATOM 155 CB ALA A 13 21.300 -2.255 -0.827 1.00 0.00 C ATOM 0 H ALA A 13 22.077 -1.608 1.415 1.00 0.00 H new ATOM 0 HA ALA A 13 19.569 -1.471 0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 13 20.752 -2.596 -1.705 1.00 0.00 H new ATOM 0 HB2 ALA A 13 21.713 -1.265 -1.019 1.00 0.00 H new ATOM 0 HB3 ALA A 13 22.111 -2.951 -0.613 1.00 0.00 H new ATOM 161 N LEU A 14 20.422 -4.422 1.307 1.00 0.00 N ATOM 162 CA LEU A 14 19.919 -5.757 1.607 1.00 0.00 C ATOM 163 C LEU A 14 18.953 -5.728 2.786 1.00 0.00 C ATOM 164 O LEU A 14 18.049 -6.558 2.882 1.00 0.00 O ATOM 165 CB LEU A 14 21.082 -6.700 1.913 1.00 0.00 C ATOM 166 CG LEU A 14 21.997 -7.009 0.727 1.00 0.00 C ATOM 167 CD1 LEU A 14 23.437 -7.172 1.192 1.00 0.00 C ATOM 168 CD2 LEU A 14 21.525 -8.260 0.002 1.00 0.00 C ATOM 0 H LEU A 14 21.351 -4.229 1.681 1.00 0.00 H new ATOM 0 HA LEU A 14 19.380 -6.119 0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 14 21.683 -6.264 2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 14 20.678 -7.638 2.294 1.00 0.00 H new ATOM 0 HG LEU A 14 21.954 -6.171 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 14 24.074 -7.391 0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 14 23.773 -6.250 1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 14 23.498 -7.992 1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 14 22.187 -8.465 -0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 14 21.539 -9.106 0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 14 20.510 -8.107 -0.365 1.00 0.00 H new ATOM 180 N ALA A 15 19.152 -4.769 3.684 1.00 0.00 N ATOM 181 CA ALA A 15 18.300 -4.634 4.860 1.00 0.00 C ATOM 182 C ALA A 15 16.841 -4.418 4.468 1.00 0.00 C ATOM 183 O ALA A 15 15.934 -4.670 5.262 1.00 0.00 O ATOM 184 CB ALA A 15 18.787 -3.487 5.733 1.00 0.00 C ATOM 0 H ALA A 15 19.896 -4.074 3.620 1.00 0.00 H new ATOM 0 HA ALA A 15 18.360 -5.563 5.426 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.143 -3.396 6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 15 19.810 -3.683 6.054 1.00 0.00 H new ATOM 0 HB3 ALA A 15 18.758 -2.558 5.163 1.00 0.00 H new ATOM 190 N ASN A 16 16.619 -3.951 3.243 1.00 0.00 N ATOM 191 CA ASN A 16 15.266 -3.703 2.756 1.00 0.00 C ATOM 192 C ASN A 16 14.978 -4.521 1.499 1.00 0.00 C ATOM 193 O ASN A 16 15.895 -4.922 0.783 1.00 0.00 O ATOM 194 CB ASN A 16 15.067 -2.210 2.474 1.00 0.00 C ATOM 195 CG ASN A 16 15.815 -1.740 1.240 1.00 0.00 C ATOM 196 OD1 ASN A 16 15.210 -1.452 0.207 1.00 0.00 O ATOM 197 ND2 ASN A 16 17.136 -1.659 1.340 1.00 0.00 N ATOM 0 H ASN A 16 17.356 -3.737 2.571 1.00 0.00 H new ATOM 0 HA ASN A 16 14.565 -4.012 3.531 1.00 0.00 H new ATOM 0 HB2 ASN A 16 14.003 -2.007 2.348 1.00 0.00 H new ATOM 0 HB3 ASN A 16 15.401 -1.634 3.337 1.00 0.00 H new ATOM 0 HD21 ASN A 16 17.690 -1.348 0.542 1.00 0.00 H new ATOM 0 HD22 ASN A 16 17.597 -1.907 2.215 1.00 0.00 H new ATOM 204 N SER A 17 13.697 -4.762 1.239 1.00 0.00 N ATOM 205 CA SER A 17 13.284 -5.528 0.069 1.00 0.00 C ATOM 206 C SER A 17 12.541 -4.641 -0.926 1.00 0.00 C ATOM 207 O SER A 17 12.051 -3.569 -0.569 1.00 0.00 O ATOM 208 CB SER A 17 12.395 -6.701 0.490 1.00 0.00 C ATOM 209 OG SER A 17 12.882 -7.312 1.671 1.00 0.00 O ATOM 0 H SER A 17 12.927 -4.437 1.823 1.00 0.00 H new ATOM 0 HA SER A 17 14.179 -5.916 -0.417 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.376 -6.349 0.653 1.00 0.00 H new ATOM 0 HB3 SER A 17 12.354 -7.437 -0.313 1.00 0.00 H new ATOM 0 HG SER A 17 12.296 -8.057 1.920 1.00 0.00 H new ATOM 215 N PRO A 18 12.443 -5.079 -2.194 1.00 0.00 N ATOM 216 CA PRO A 18 11.754 -4.318 -3.241 1.00 0.00 C ATOM 217 C PRO A 18 10.382 -3.819 -2.789 1.00 0.00 C ATOM 218 O PRO A 18 9.745 -4.427 -1.930 1.00 0.00 O ATOM 219 CB PRO A 18 11.608 -5.334 -4.372 1.00 0.00 C ATOM 220 CG PRO A 18 12.757 -6.265 -4.190 1.00 0.00 C ATOM 221 CD PRO A 18 12.997 -6.348 -2.706 1.00 0.00 C ATOM 0 HA PRO A 18 12.302 -3.419 -3.523 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.656 -5.862 -4.311 1.00 0.00 H new ATOM 0 HB3 PRO A 18 11.641 -4.849 -5.348 1.00 0.00 H new ATOM 0 HG2 PRO A 18 12.531 -7.248 -4.604 1.00 0.00 H new ATOM 0 HG3 PRO A 18 13.643 -5.897 -4.708 1.00 0.00 H new ATOM 0 HD2 PRO A 18 12.496 -7.211 -2.266 1.00 0.00 H new ATOM 0 HD3 PRO A 18 14.058 -6.444 -2.476 1.00 0.00 H new ATOM 229 N PRO A 19 9.909 -2.699 -3.362 1.00 0.00 N ATOM 230 CA PRO A 19 8.608 -2.121 -3.009 1.00 0.00 C ATOM 231 C PRO A 19 7.469 -3.125 -3.156 1.00 0.00 C ATOM 232 O PRO A 19 6.536 -3.140 -2.354 1.00 0.00 O ATOM 233 CB PRO A 19 8.439 -0.974 -4.008 1.00 0.00 C ATOM 234 CG PRO A 19 9.825 -0.622 -4.424 1.00 0.00 C ATOM 235 CD PRO A 19 10.603 -1.907 -4.394 1.00 0.00 C ATOM 0 HA PRO A 19 8.577 -1.802 -1.967 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.836 -1.280 -4.863 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.935 -0.122 -3.551 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.834 -0.183 -5.422 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.261 0.114 -3.748 1.00 0.00 H new ATOM 0 HD2 PRO A 19 10.590 -2.408 -5.362 1.00 0.00 H new ATOM 0 HD3 PRO A 19 11.649 -1.738 -4.136 1.00 0.00 H new ATOM 243 N GLU A 20 7.554 -3.964 -4.184 1.00 0.00 N ATOM 244 CA GLU A 20 6.530 -4.972 -4.435 1.00 0.00 C ATOM 245 C GLU A 20 6.548 -6.046 -3.353 1.00 0.00 C ATOM 246 O GLU A 20 5.496 -6.560 -2.951 1.00 0.00 O ATOM 247 CB GLU A 20 6.741 -5.612 -5.808 1.00 0.00 C ATOM 248 CG GLU A 20 8.069 -6.340 -5.942 1.00 0.00 C ATOM 249 CD GLU A 20 8.439 -6.617 -7.386 1.00 0.00 C ATOM 250 OE1 GLU A 20 7.764 -7.453 -8.022 1.00 0.00 O ATOM 251 OE2 GLU A 20 9.404 -5.998 -7.881 1.00 0.00 O ATOM 0 H GLU A 20 8.321 -3.966 -4.856 1.00 0.00 H new ATOM 0 HA GLU A 20 5.558 -4.479 -4.417 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.930 -6.314 -6.001 1.00 0.00 H new ATOM 0 HB3 GLU A 20 6.681 -4.838 -6.573 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.854 -5.744 -5.478 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.019 -7.282 -5.396 1.00 0.00 H new ATOM 258 N THR A 21 7.748 -6.382 -2.880 1.00 0.00 N ATOM 259 CA THR A 21 7.892 -7.397 -1.846 1.00 0.00 C ATOM 260 C THR A 21 7.205 -6.938 -0.576 1.00 0.00 C ATOM 261 O THR A 21 6.401 -7.666 0.008 1.00 0.00 O ATOM 262 CB THR A 21 9.373 -7.680 -1.579 1.00 0.00 C ATOM 263 OG1 THR A 21 9.980 -8.278 -2.709 1.00 0.00 O ATOM 264 CG2 THR A 21 9.607 -8.595 -0.396 1.00 0.00 C ATOM 0 H THR A 21 8.625 -5.968 -3.195 1.00 0.00 H new ATOM 0 HA THR A 21 7.423 -8.319 -2.188 1.00 0.00 H new ATOM 0 HB THR A 21 9.816 -6.709 -1.358 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.803 -8.734 -2.435 1.00 0.00 H new ATOM 0 HG21 THR A 21 10.677 -8.753 -0.264 1.00 0.00 H new ATOM 0 HG22 THR A 21 9.194 -8.139 0.504 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.118 -9.553 -0.575 1.00 0.00 H new ATOM 272 N GLN A 22 7.482 -5.709 -0.182 1.00 0.00 N ATOM 273 CA GLN A 22 6.836 -5.140 0.987 1.00 0.00 C ATOM 274 C GLN A 22 5.382 -4.913 0.667 1.00 0.00 C ATOM 275 O GLN A 22 4.498 -5.228 1.458 1.00 0.00 O ATOM 276 CB GLN A 22 7.455 -3.802 1.404 1.00 0.00 C ATOM 277 CG GLN A 22 6.553 -2.989 2.341 1.00 0.00 C ATOM 278 CD GLN A 22 5.461 -2.215 1.602 1.00 0.00 C ATOM 279 OE1 GLN A 22 4.197 -2.652 1.727 1.00 0.00 O flip ATOM 280 NE2 GLN A 22 5.748 -1.229 0.924 1.00 0.00 N flip ATOM 0 H GLN A 22 8.144 -5.090 -0.649 1.00 0.00 H new ATOM 0 HA GLN A 22 6.965 -5.840 1.813 1.00 0.00 H new ATOM 0 HB2 GLN A 22 8.409 -3.988 1.898 1.00 0.00 H new ATOM 0 HB3 GLN A 22 7.667 -3.213 0.512 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.088 -3.662 3.062 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.166 -2.288 2.908 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.719 -0.925 0.851 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.015 -0.716 0.435 1.00 0.00 H new ATOM 289 N ARG A 23 5.160 -4.316 -0.505 1.00 0.00 N ATOM 290 CA ARG A 23 3.834 -3.977 -0.974 1.00 0.00 C ATOM 291 C ARG A 23 2.764 -4.792 -0.270 1.00 0.00 C ATOM 292 O ARG A 23 2.250 -4.385 0.767 1.00 0.00 O ATOM 293 CB ARG A 23 3.738 -4.154 -2.492 1.00 0.00 C ATOM 294 CG ARG A 23 2.355 -3.862 -3.037 1.00 0.00 C ATOM 295 CD ARG A 23 1.805 -5.034 -3.835 1.00 0.00 C ATOM 296 NE ARG A 23 1.040 -4.594 -5.000 1.00 0.00 N ATOM 297 CZ ARG A 23 0.738 -5.381 -6.029 1.00 0.00 C ATOM 298 NH1 ARG A 23 1.133 -6.648 -6.043 1.00 0.00 N ATOM 299 NH2 ARG A 23 0.039 -4.900 -7.047 1.00 0.00 N ATOM 0 H ARG A 23 5.905 -4.057 -1.152 1.00 0.00 H new ATOM 0 HA ARG A 23 3.658 -2.929 -0.733 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.459 -3.495 -2.975 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.016 -5.176 -2.751 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.680 -3.635 -2.212 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.393 -2.976 -3.671 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.629 -5.669 -4.161 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.169 -5.643 -3.193 1.00 0.00 H new ATOM 0 HE ARG A 23 0.719 -3.626 -5.026 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.671 -7.023 -5.262 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.898 -7.247 -6.835 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.267 -3.927 -7.041 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.193 -5.503 -7.836 1.00 0.00 H new ATOM 313 N MET A 24 2.441 -5.945 -0.815 1.00 0.00 N ATOM 314 CA MET A 24 1.430 -6.785 -0.207 1.00 0.00 C ATOM 315 C MET A 24 1.795 -7.141 1.233 1.00 0.00 C ATOM 316 O MET A 24 0.918 -7.275 2.081 1.00 0.00 O ATOM 317 CB MET A 24 1.212 -8.055 -1.030 1.00 0.00 C ATOM 318 CG MET A 24 -0.097 -8.764 -0.722 1.00 0.00 C ATOM 319 SD MET A 24 -0.088 -10.493 -1.231 1.00 0.00 S ATOM 320 CE MET A 24 0.460 -11.288 0.279 1.00 0.00 C ATOM 0 H MET A 24 2.857 -6.320 -1.667 1.00 0.00 H new ATOM 0 HA MET A 24 0.499 -6.218 -0.189 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.236 -7.800 -2.089 1.00 0.00 H new ATOM 0 HB3 MET A 24 2.039 -8.742 -0.848 1.00 0.00 H new ATOM 0 HG2 MET A 24 -0.294 -8.706 0.348 1.00 0.00 H new ATOM 0 HG3 MET A 24 -0.913 -8.246 -1.225 1.00 0.00 H new ATOM 0 HE1 MET A 24 0.837 -12.285 0.049 1.00 0.00 H new ATOM 0 HE2 MET A 24 1.254 -10.696 0.735 1.00 0.00 H new ATOM 0 HE3 MET A 24 -0.377 -11.368 0.973 1.00 0.00 H new ATOM 330 N MET A 25 3.087 -7.321 1.505 1.00 0.00 N ATOM 331 CA MET A 25 3.527 -7.689 2.848 1.00 0.00 C ATOM 332 C MET A 25 3.067 -6.674 3.899 1.00 0.00 C ATOM 333 O MET A 25 2.457 -7.058 4.896 1.00 0.00 O ATOM 334 CB MET A 25 5.050 -7.822 2.888 1.00 0.00 C ATOM 335 CG MET A 25 5.560 -9.139 2.323 1.00 0.00 C ATOM 336 SD MET A 25 4.955 -10.569 3.238 1.00 0.00 S ATOM 337 CE MET A 25 4.559 -11.686 1.896 1.00 0.00 C ATOM 0 H MET A 25 3.838 -7.219 0.822 1.00 0.00 H new ATOM 0 HA MET A 25 3.070 -8.649 3.088 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.493 -6.999 2.327 1.00 0.00 H new ATOM 0 HB3 MET A 25 5.388 -7.723 3.919 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.255 -9.225 1.280 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.650 -9.138 2.337 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.171 -12.620 2.302 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.806 -11.230 1.253 1.00 0.00 H new ATOM 0 HE3 MET A 25 5.458 -11.889 1.314 1.00 0.00 H new ATOM 347 N LEU A 26 3.320 -5.379 3.680 1.00 0.00 N ATOM 348 CA LEU A 26 2.864 -4.377 4.642 1.00 0.00 C ATOM 349 C LEU A 26 1.348 -4.290 4.586 1.00 0.00 C ATOM 350 O LEU A 26 0.683 -4.369 5.611 1.00 0.00 O ATOM 351 CB LEU A 26 3.493 -3.004 4.394 1.00 0.00 C ATOM 352 CG LEU A 26 3.593 -2.108 5.629 1.00 0.00 C ATOM 353 CD1 LEU A 26 4.636 -2.647 6.596 1.00 0.00 C ATOM 354 CD2 LEU A 26 3.927 -0.678 5.225 1.00 0.00 C ATOM 0 H LEU A 26 3.822 -5.011 2.872 1.00 0.00 H new ATOM 0 HA LEU A 26 3.183 -4.689 5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.493 -3.147 3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.909 -2.485 3.633 1.00 0.00 H new ATOM 0 HG LEU A 26 2.626 -2.106 6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.693 -1.997 7.469 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.356 -3.652 6.910 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.607 -2.679 6.103 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.994 -0.054 6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.881 -0.662 4.698 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.145 -0.293 4.571 1.00 0.00 H new ATOM 366 N GLY A 27 0.797 -4.169 3.372 1.00 0.00 N ATOM 367 CA GLY A 27 -0.622 -4.122 3.213 1.00 0.00 C ATOM 368 C GLY A 27 -1.261 -5.336 3.837 1.00 0.00 C ATOM 369 O GLY A 27 -2.367 -5.267 4.334 1.00 0.00 O ATOM 0 H GLY A 27 1.327 -4.104 2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.016 -3.217 3.676 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.874 -4.074 2.154 1.00 0.00 H new ATOM 373 N GLU A 28 -0.561 -6.450 3.866 1.00 0.00 N ATOM 374 CA GLU A 28 -1.122 -7.629 4.492 1.00 0.00 C ATOM 375 C GLU A 28 -1.507 -7.291 5.930 1.00 0.00 C ATOM 376 O GLU A 28 -2.609 -7.606 6.384 1.00 0.00 O ATOM 377 CB GLU A 28 -0.124 -8.789 4.463 1.00 0.00 C ATOM 378 CG GLU A 28 -0.407 -9.808 3.371 1.00 0.00 C ATOM 379 CD GLU A 28 -1.168 -11.016 3.884 1.00 0.00 C ATOM 380 OE1 GLU A 28 -0.881 -11.461 5.016 1.00 0.00 O ATOM 381 OE2 GLU A 28 -2.048 -11.517 3.154 1.00 0.00 O ATOM 0 H GLU A 28 0.374 -6.565 3.474 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.008 -7.942 3.940 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.881 -8.390 4.324 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.136 -9.292 5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.981 -9.333 2.575 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.535 -10.136 2.932 1.00 0.00 H new ATOM 388 N ASN A 29 -0.600 -6.612 6.630 1.00 0.00 N ATOM 389 CA ASN A 29 -0.851 -6.219 8.017 1.00 0.00 C ATOM 390 C ASN A 29 -1.423 -4.805 8.118 1.00 0.00 C ATOM 391 O ASN A 29 -2.443 -4.575 8.777 1.00 0.00 O ATOM 392 CB ASN A 29 0.439 -6.311 8.832 1.00 0.00 C ATOM 393 CG ASN A 29 0.210 -6.057 10.309 1.00 0.00 C ATOM 394 OD1 ASN A 29 0.292 -4.921 10.775 1.00 0.00 O ATOM 395 ND2 ASN A 29 -0.078 -7.119 11.055 1.00 0.00 N ATOM 0 H ASN A 29 0.308 -6.324 6.265 1.00 0.00 H new ATOM 0 HA ASN A 29 -1.593 -6.909 8.420 1.00 0.00 H new ATOM 0 HB2 ASN A 29 0.879 -7.300 8.700 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.159 -5.588 8.449 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.241 -7.010 12.056 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.136 -8.043 10.626 1.00 0.00 H new ATOM 402 N LEU A 30 -0.763 -3.855 7.474 1.00 0.00 N ATOM 403 CA LEU A 30 -1.207 -2.471 7.514 1.00 0.00 C ATOM 404 C LEU A 30 -2.386 -2.206 6.569 1.00 0.00 C ATOM 405 O LEU A 30 -3.226 -1.368 6.877 1.00 0.00 O ATOM 406 CB LEU A 30 -0.040 -1.528 7.222 1.00 0.00 C ATOM 407 CG LEU A 30 0.588 -0.878 8.456 1.00 0.00 C ATOM 408 CD1 LEU A 30 1.939 -0.271 8.110 1.00 0.00 C ATOM 409 CD2 LEU A 30 -0.342 0.180 9.031 1.00 0.00 C ATOM 0 H LEU A 30 0.078 -4.016 6.920 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.570 -2.275 8.523 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.732 -2.083 6.689 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.387 -0.741 6.552 1.00 0.00 H new ATOM 0 HG LEU A 30 0.742 -1.649 9.211 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.371 0.187 9.000 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.606 -1.052 7.744 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.810 0.488 7.338 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.120 0.633 9.908 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.526 0.949 8.281 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.287 -0.282 9.316 1.00 0.00 H new ATOM 421 N TYR A 31 -2.487 -2.925 5.438 1.00 0.00 N ATOM 422 CA TYR A 31 -3.624 -2.713 4.533 1.00 0.00 C ATOM 423 C TYR A 31 -4.905 -2.964 5.305 1.00 0.00 C ATOM 424 O TYR A 31 -5.808 -2.145 5.265 1.00 0.00 O ATOM 425 CB TYR A 31 -3.572 -3.570 3.257 1.00 0.00 C ATOM 426 CG TYR A 31 -4.926 -4.005 2.737 1.00 0.00 C ATOM 427 CD1 TYR A 31 -5.949 -3.087 2.547 1.00 0.00 C ATOM 428 CD2 TYR A 31 -5.179 -5.340 2.448 1.00 0.00 C ATOM 429 CE1 TYR A 31 -7.186 -3.488 2.084 1.00 0.00 C ATOM 430 CE2 TYR A 31 -6.413 -5.747 1.982 1.00 0.00 C ATOM 431 CZ TYR A 31 -7.414 -4.817 1.803 1.00 0.00 C ATOM 432 OH TYR A 31 -8.646 -5.217 1.342 1.00 0.00 O ATOM 0 H TYR A 31 -1.819 -3.634 5.137 1.00 0.00 H new ATOM 0 HA TYR A 31 -3.580 -1.682 4.182 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -3.061 -3.006 2.476 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.971 -4.457 3.455 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -5.775 -2.044 2.765 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.397 -6.072 2.590 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.973 -2.762 1.942 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.593 -6.788 1.759 1.00 0.00 H new ATOM 0 HH TYR A 31 -9.307 -5.133 2.060 1.00 0.00 H new ATOM 442 N PRO A 32 -5.003 -4.061 6.078 1.00 0.00 N ATOM 443 CA PRO A 32 -6.191 -4.285 6.874 1.00 0.00 C ATOM 444 C PRO A 32 -6.421 -3.055 7.735 1.00 0.00 C ATOM 445 O PRO A 32 -7.558 -2.686 8.028 1.00 0.00 O ATOM 446 CB PRO A 32 -5.852 -5.490 7.754 1.00 0.00 C ATOM 447 CG PRO A 32 -4.686 -6.148 7.104 1.00 0.00 C ATOM 448 CD PRO A 32 -3.996 -5.108 6.263 1.00 0.00 C ATOM 0 HA PRO A 32 -7.087 -4.463 6.279 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.609 -5.177 8.770 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -6.698 -6.174 7.825 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.004 -6.550 7.854 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.012 -6.986 6.488 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.107 -4.721 6.761 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.672 -5.521 5.308 1.00 0.00 H new ATOM 456 N LEU A 33 -5.315 -2.394 8.101 1.00 0.00 N ATOM 457 CA LEU A 33 -5.397 -1.177 8.880 1.00 0.00 C ATOM 458 C LEU A 33 -5.855 -0.039 7.982 1.00 0.00 C ATOM 459 O LEU A 33 -6.749 0.726 8.341 1.00 0.00 O ATOM 460 CB LEU A 33 -4.041 -0.850 9.513 1.00 0.00 C ATOM 461 CG LEU A 33 -3.989 -0.984 11.036 1.00 0.00 C ATOM 462 CD1 LEU A 33 -5.101 -0.172 11.682 1.00 0.00 C ATOM 463 CD2 LEU A 33 -4.087 -2.446 11.445 1.00 0.00 C ATOM 0 H LEU A 33 -4.367 -2.687 7.867 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.118 -1.313 9.686 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.287 -1.507 9.080 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.768 0.170 9.244 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.033 -0.593 11.384 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.048 -0.280 12.765 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.986 0.879 11.416 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.067 -0.532 11.329 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.048 -2.523 12.532 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.028 -2.862 11.085 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.255 -3.001 11.012 1.00 0.00 H new ATOM 475 N VAL A 34 -5.255 0.051 6.788 1.00 0.00 N ATOM 476 CA VAL A 34 -5.648 1.081 5.845 1.00 0.00 C ATOM 477 C VAL A 34 -6.965 0.726 5.220 1.00 0.00 C ATOM 478 O VAL A 34 -7.899 1.524 5.212 1.00 0.00 O ATOM 479 CB VAL A 34 -4.635 1.271 4.733 1.00 0.00 C ATOM 480 CG1 VAL A 34 -4.940 2.566 4.002 1.00 0.00 C ATOM 481 CG2 VAL A 34 -3.233 1.276 5.297 1.00 0.00 C ATOM 0 H VAL A 34 -4.511 -0.568 6.465 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.717 2.010 6.411 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.701 0.444 4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.216 2.710 3.200 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.944 2.518 3.580 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.880 3.401 4.700 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.516 1.413 4.488 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.132 2.091 6.014 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.039 0.327 5.797 1.00 0.00 H new ATOM 491 N ASP A 35 -7.017 -0.511 4.729 1.00 0.00 N ATOM 492 CA ASP A 35 -8.218 -1.075 4.104 1.00 0.00 C ATOM 493 C ASP A 35 -9.465 -0.227 4.372 1.00 0.00 C ATOM 494 O ASP A 35 -10.283 -0.556 5.232 1.00 0.00 O ATOM 495 CB ASP A 35 -8.446 -2.494 4.618 1.00 0.00 C ATOM 496 CG ASP A 35 -9.621 -3.183 3.951 1.00 0.00 C ATOM 497 OD1 ASP A 35 -10.704 -2.566 3.863 1.00 0.00 O ATOM 498 OD2 ASP A 35 -9.461 -4.345 3.521 1.00 0.00 O ATOM 0 H ASP A 35 -6.226 -1.155 4.752 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.052 -1.085 3.027 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -7.544 -3.084 4.453 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.614 -2.462 5.695 1.00 0.00 H new ATOM 503 N GLN A 36 -9.576 0.881 3.655 1.00 0.00 N ATOM 504 CA GLN A 36 -10.688 1.813 3.825 1.00 0.00 C ATOM 505 C GLN A 36 -12.013 1.286 3.262 1.00 0.00 C ATOM 506 O GLN A 36 -13.063 1.472 3.879 1.00 0.00 O ATOM 507 CB GLN A 36 -10.326 3.172 3.214 1.00 0.00 C ATOM 508 CG GLN A 36 -10.446 3.252 1.702 1.00 0.00 C ATOM 509 CD GLN A 36 -9.530 2.289 0.956 1.00 0.00 C ATOM 510 OE1 GLN A 36 -9.925 1.709 -0.053 1.00 0.00 O ATOM 511 NE2 GLN A 36 -8.298 2.117 1.434 1.00 0.00 N ATOM 0 H GLN A 36 -8.903 1.161 2.942 1.00 0.00 H new ATOM 0 HA GLN A 36 -10.850 1.929 4.897 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -10.969 3.934 3.655 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -9.302 3.418 3.495 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -11.479 3.048 1.418 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -10.223 4.270 1.383 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -8.003 2.614 2.274 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.650 1.488 0.960 1.00 0.00 H new ATOM 520 N LEU A 37 -11.978 0.633 2.105 1.00 0.00 N ATOM 521 CA LEU A 37 -13.204 0.097 1.504 1.00 0.00 C ATOM 522 C LEU A 37 -13.342 -1.397 1.794 1.00 0.00 C ATOM 523 O LEU A 37 -12.834 -1.888 2.803 1.00 0.00 O ATOM 524 CB LEU A 37 -13.209 0.343 -0.008 1.00 0.00 C ATOM 525 CG LEU A 37 -12.738 1.726 -0.443 1.00 0.00 C ATOM 526 CD1 LEU A 37 -12.030 1.649 -1.788 1.00 0.00 C ATOM 527 CD2 LEU A 37 -13.910 2.692 -0.509 1.00 0.00 C ATOM 0 H LEU A 37 -11.128 0.461 1.567 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.054 0.614 1.948 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.575 -0.405 -0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -14.221 0.187 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 37 -12.029 2.098 0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.700 2.645 -2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.166 0.990 -1.707 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.716 1.257 -2.538 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.555 3.674 -0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.643 2.326 -1.228 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.373 2.770 0.475 1.00 0.00 H new ATOM 539 N GLU A 38 -14.014 -2.122 0.901 1.00 0.00 N ATOM 540 CA GLU A 38 -14.190 -3.557 1.069 1.00 0.00 C ATOM 541 C GLU A 38 -12.891 -4.285 0.741 1.00 0.00 C ATOM 542 O GLU A 38 -11.942 -3.684 0.240 1.00 0.00 O ATOM 543 CB GLU A 38 -15.318 -4.066 0.171 1.00 0.00 C ATOM 544 CG GLU A 38 -16.701 -3.620 0.620 1.00 0.00 C ATOM 545 CD GLU A 38 -16.852 -2.111 0.632 1.00 0.00 C ATOM 546 OE1 GLU A 38 -16.285 -1.452 -0.265 1.00 0.00 O ATOM 547 OE2 GLU A 38 -17.537 -1.591 1.536 1.00 0.00 O ATOM 0 H GLU A 38 -14.442 -1.738 0.059 1.00 0.00 H new ATOM 0 HA GLU A 38 -14.456 -3.756 2.107 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.146 -3.718 -0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -15.287 -5.155 0.145 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -17.451 -4.051 -0.043 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.898 -4.009 1.619 1.00 0.00 H new ATOM 554 N HIS A 39 -12.853 -5.580 1.022 1.00 0.00 N ATOM 555 CA HIS A 39 -11.665 -6.387 0.757 1.00 0.00 C ATOM 556 C HIS A 39 -11.331 -6.439 -0.736 1.00 0.00 C ATOM 557 O HIS A 39 -10.268 -6.926 -1.120 1.00 0.00 O ATOM 558 CB HIS A 39 -11.863 -7.805 1.291 1.00 0.00 C ATOM 559 CG HIS A 39 -13.145 -8.438 0.843 1.00 0.00 C ATOM 560 ND1 HIS A 39 -13.250 -9.201 -0.301 1.00 0.00 N ATOM 561 CD2 HIS A 39 -14.383 -8.419 1.393 1.00 0.00 C ATOM 562 CE1 HIS A 39 -14.493 -9.623 -0.438 1.00 0.00 C ATOM 563 NE2 HIS A 39 -15.201 -9.163 0.578 1.00 0.00 N ATOM 0 H HIS A 39 -13.630 -6.097 1.434 1.00 0.00 H new ATOM 0 HA HIS A 39 -10.828 -5.914 1.270 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -11.028 -8.426 0.968 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -11.840 -7.781 2.380 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -14.673 -7.913 2.302 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -14.867 -10.239 -1.243 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -16.195 -9.333 0.732 1.00 0.00 H new ATOM 571 N ASP A 40 -12.243 -5.955 -1.576 1.00 0.00 N ATOM 572 CA ASP A 40 -12.032 -5.975 -3.020 1.00 0.00 C ATOM 573 C ASP A 40 -11.398 -4.680 -3.530 1.00 0.00 C ATOM 574 O ASP A 40 -10.526 -4.713 -4.398 1.00 0.00 O ATOM 575 CB ASP A 40 -13.359 -6.219 -3.741 1.00 0.00 C ATOM 576 CG ASP A 40 -13.169 -6.512 -5.217 1.00 0.00 C ATOM 577 OD1 ASP A 40 -12.169 -6.033 -5.793 1.00 0.00 O ATOM 578 OD2 ASP A 40 -14.020 -7.219 -5.796 1.00 0.00 O ATOM 0 H ASP A 40 -13.130 -5.546 -1.283 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.339 -6.788 -3.234 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -13.877 -7.055 -3.271 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.998 -5.344 -3.626 1.00 0.00 H new ATOM 583 N GLN A 41 -11.847 -3.541 -3.009 1.00 0.00 N ATOM 584 CA GLN A 41 -11.321 -2.250 -3.448 1.00 0.00 C ATOM 585 C GLN A 41 -10.367 -1.641 -2.422 1.00 0.00 C ATOM 586 O GLN A 41 -9.519 -0.820 -2.771 1.00 0.00 O ATOM 587 CB GLN A 41 -12.469 -1.277 -3.732 1.00 0.00 C ATOM 588 CG GLN A 41 -13.530 -1.246 -2.643 1.00 0.00 C ATOM 589 CD GLN A 41 -14.845 -1.861 -3.086 1.00 0.00 C ATOM 590 OE1 GLN A 41 -15.919 -1.377 -2.729 1.00 0.00 O ATOM 591 NE2 GLN A 41 -14.769 -2.931 -3.870 1.00 0.00 N ATOM 0 H GLN A 41 -12.567 -3.484 -2.289 1.00 0.00 H new ATOM 0 HA GLN A 41 -10.756 -2.425 -4.364 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -12.061 -0.274 -3.857 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -12.939 -1.550 -4.677 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -13.161 -1.780 -1.767 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -13.701 -0.214 -2.338 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -13.858 -3.300 -4.142 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -15.622 -3.383 -4.200 1.00 0.00 H new ATOM 600 N ALA A 42 -10.511 -2.030 -1.161 1.00 0.00 N ATOM 601 CA ALA A 42 -9.655 -1.496 -0.104 1.00 0.00 C ATOM 602 C ALA A 42 -8.197 -1.880 -0.315 1.00 0.00 C ATOM 603 O ALA A 42 -7.297 -1.053 -0.161 1.00 0.00 O ATOM 604 CB ALA A 42 -10.129 -1.978 1.254 1.00 0.00 C ATOM 0 H ALA A 42 -11.205 -2.707 -0.845 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.724 -0.409 -0.143 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -9.481 -1.572 2.031 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -11.152 -1.642 1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.095 -3.067 1.286 1.00 0.00 H new ATOM 610 N ALA A 43 -7.970 -3.137 -0.666 1.00 0.00 N ATOM 611 CA ALA A 43 -6.621 -3.636 -0.898 1.00 0.00 C ATOM 612 C ALA A 43 -6.019 -3.013 -2.145 1.00 0.00 C ATOM 613 O ALA A 43 -4.805 -2.830 -2.238 1.00 0.00 O ATOM 614 CB ALA A 43 -6.633 -5.153 -1.021 1.00 0.00 C ATOM 0 H ALA A 43 -8.704 -3.833 -0.797 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.004 -3.356 -0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.619 -5.512 -1.194 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.020 -5.590 -0.100 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.269 -5.445 -1.857 1.00 0.00 H new ATOM 620 N LYS A 44 -6.872 -2.715 -3.115 1.00 0.00 N ATOM 621 CA LYS A 44 -6.419 -2.143 -4.372 1.00 0.00 C ATOM 622 C LYS A 44 -5.822 -0.747 -4.203 1.00 0.00 C ATOM 623 O LYS A 44 -4.752 -0.473 -4.727 1.00 0.00 O ATOM 624 CB LYS A 44 -7.577 -2.090 -5.369 1.00 0.00 C ATOM 625 CG LYS A 44 -8.048 -3.461 -5.827 1.00 0.00 C ATOM 626 CD LYS A 44 -7.236 -3.963 -7.011 1.00 0.00 C ATOM 627 CE LYS A 44 -6.952 -5.452 -6.901 1.00 0.00 C ATOM 628 NZ LYS A 44 -5.995 -5.913 -7.946 1.00 0.00 N ATOM 0 H LYS A 44 -7.880 -2.860 -3.054 1.00 0.00 H new ATOM 0 HA LYS A 44 -5.628 -2.791 -4.749 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -8.414 -1.561 -4.913 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.270 -1.511 -6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -7.966 -4.169 -5.002 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.102 -3.412 -6.102 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -7.777 -3.762 -7.936 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.295 -3.415 -7.067 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -6.546 -5.672 -5.914 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.885 -6.008 -6.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.827 -6.934 -7.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.393 -5.726 -8.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.095 -5.401 -7.843 1.00 0.00 H new ATOM 642 N VAL A 45 -6.513 0.155 -3.511 1.00 0.00 N ATOM 643 CA VAL A 45 -5.999 1.513 -3.361 1.00 0.00 C ATOM 644 C VAL A 45 -4.777 1.614 -2.439 1.00 0.00 C ATOM 645 O VAL A 45 -3.765 2.206 -2.817 1.00 0.00 O ATOM 646 CB VAL A 45 -7.103 2.470 -2.843 1.00 0.00 C ATOM 647 CG1 VAL A 45 -8.405 2.225 -3.579 1.00 0.00 C ATOM 648 CG2 VAL A 45 -7.322 2.325 -1.343 1.00 0.00 C ATOM 0 H VAL A 45 -7.408 -0.023 -3.056 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.678 1.809 -4.360 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.764 3.488 -3.035 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.169 2.905 -3.203 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -8.258 2.398 -4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.725 1.195 -3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.104 3.013 -1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.623 1.302 -1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.396 2.556 -0.816 1.00 0.00 H new ATOM 658 N THR A 46 -4.870 1.068 -1.229 1.00 0.00 N ATOM 659 CA THR A 46 -3.760 1.152 -0.283 1.00 0.00 C ATOM 660 C THR A 46 -2.574 0.277 -0.640 1.00 0.00 C ATOM 661 O THR A 46 -1.426 0.720 -0.624 1.00 0.00 O ATOM 662 CB THR A 46 -4.240 0.803 1.128 1.00 0.00 C ATOM 663 OG1 THR A 46 -3.550 1.602 2.063 1.00 0.00 O ATOM 664 CG2 THR A 46 -4.053 -0.657 1.533 1.00 0.00 C ATOM 0 H THR A 46 -5.690 0.569 -0.884 1.00 0.00 H new ATOM 0 HA THR A 46 -3.412 2.184 -0.329 1.00 0.00 H new ATOM 0 HB THR A 46 -5.314 0.991 1.120 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.622 2.544 1.804 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.423 -0.803 2.548 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.608 -1.298 0.848 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.994 -0.913 1.493 1.00 0.00 H new ATOM 672 N GLY A 47 -2.866 -0.983 -0.887 1.00 0.00 N ATOM 673 CA GLY A 47 -1.824 -1.945 -1.158 1.00 0.00 C ATOM 674 C GLY A 47 -1.186 -1.843 -2.538 1.00 0.00 C ATOM 675 O GLY A 47 -0.038 -2.245 -2.709 1.00 0.00 O ATOM 0 H GLY A 47 -3.813 -1.362 -0.905 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.043 -1.832 -0.406 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.237 -2.947 -1.040 1.00 0.00 H new ATOM 679 N MET A 48 -1.898 -1.304 -3.526 1.00 0.00 N ATOM 680 CA MET A 48 -1.317 -1.170 -4.864 1.00 0.00 C ATOM 681 C MET A 48 -0.200 -0.137 -4.832 1.00 0.00 C ATOM 682 O MET A 48 0.903 -0.372 -5.327 1.00 0.00 O ATOM 683 CB MET A 48 -2.372 -0.756 -5.890 1.00 0.00 C ATOM 684 CG MET A 48 -3.241 -1.910 -6.369 1.00 0.00 C ATOM 685 SD MET A 48 -2.543 -2.758 -7.798 1.00 0.00 S ATOM 686 CE MET A 48 -3.913 -2.665 -8.949 1.00 0.00 C ATOM 0 H MET A 48 -2.854 -0.960 -3.433 1.00 0.00 H new ATOM 0 HA MET A 48 -0.918 -2.140 -5.162 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.010 0.012 -5.453 1.00 0.00 H new ATOM 0 HB3 MET A 48 -1.875 -0.306 -6.749 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.371 -2.624 -5.556 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.231 -1.533 -6.623 1.00 0.00 H new ATOM 0 HE1 MET A 48 -3.554 -2.865 -9.959 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.666 -3.405 -8.678 1.00 0.00 H new ATOM 0 HE3 MET A 48 -4.353 -1.668 -8.911 1.00 0.00 H new ATOM 696 N LEU A 49 -0.502 0.999 -4.222 1.00 0.00 N ATOM 697 CA LEU A 49 0.451 2.087 -4.079 1.00 0.00 C ATOM 698 C LEU A 49 1.621 1.678 -3.194 1.00 0.00 C ATOM 699 O LEU A 49 2.653 2.350 -3.168 1.00 0.00 O ATOM 700 CB LEU A 49 -0.234 3.326 -3.501 1.00 0.00 C ATOM 701 CG LEU A 49 -0.966 4.208 -4.518 1.00 0.00 C ATOM 702 CD1 LEU A 49 -0.128 4.402 -5.772 1.00 0.00 C ATOM 703 CD2 LEU A 49 -2.319 3.608 -4.869 1.00 0.00 C ATOM 0 H LEU A 49 -1.416 1.192 -3.812 1.00 0.00 H new ATOM 0 HA LEU A 49 0.837 2.325 -5.070 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.949 3.005 -2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.517 3.932 -2.994 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.128 5.185 -4.064 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.670 5.031 -6.478 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.815 4.881 -5.509 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.072 3.433 -6.229 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.824 4.248 -5.592 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.177 2.616 -5.299 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.927 3.529 -3.968 1.00 0.00 H new ATOM 715 N LEU A 50 1.449 0.591 -2.445 1.00 0.00 N ATOM 716 CA LEU A 50 2.489 0.127 -1.539 1.00 0.00 C ATOM 717 C LEU A 50 3.819 -0.089 -2.274 1.00 0.00 C ATOM 718 O LEU A 50 4.880 -0.122 -1.652 1.00 0.00 O ATOM 719 CB LEU A 50 2.063 -1.172 -0.865 1.00 0.00 C ATOM 720 CG LEU A 50 1.139 -0.996 0.336 1.00 0.00 C ATOM 721 CD1 LEU A 50 0.733 -2.345 0.914 1.00 0.00 C ATOM 722 CD2 LEU A 50 1.821 -0.145 1.395 1.00 0.00 C ATOM 0 H LEU A 50 0.604 0.020 -2.449 1.00 0.00 H new ATOM 0 HA LEU A 50 2.635 0.899 -0.784 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.562 -1.800 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.956 -1.708 -0.543 1.00 0.00 H new ATOM 0 HG LEU A 50 0.233 -0.488 0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.075 -2.191 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.210 -2.924 0.153 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.623 -2.886 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.155 -0.024 2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.740 -0.634 1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.058 0.834 0.978 1.00 0.00 H new ATOM 734 N GLU A 51 3.766 -0.221 -3.598 1.00 0.00 N ATOM 735 CA GLU A 51 4.984 -0.411 -4.389 1.00 0.00 C ATOM 736 C GLU A 51 5.122 0.661 -5.468 1.00 0.00 C ATOM 737 O GLU A 51 6.224 0.929 -5.946 1.00 0.00 O ATOM 738 CB GLU A 51 5.021 -1.802 -5.031 1.00 0.00 C ATOM 739 CG GLU A 51 3.700 -2.251 -5.629 1.00 0.00 C ATOM 740 CD GLU A 51 3.590 -1.931 -7.108 1.00 0.00 C ATOM 741 OE1 GLU A 51 4.333 -1.045 -7.579 1.00 0.00 O ATOM 742 OE2 GLU A 51 2.763 -2.567 -7.793 1.00 0.00 O ATOM 0 H GLU A 51 2.904 -0.201 -4.142 1.00 0.00 H new ATOM 0 HA GLU A 51 5.826 -0.322 -3.702 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.781 -1.808 -5.813 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.331 -2.528 -4.279 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.586 -3.325 -5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.881 -1.769 -5.095 1.00 0.00 H new ATOM 749 N MET A 52 4.005 1.277 -5.849 1.00 0.00 N ATOM 750 CA MET A 52 4.022 2.319 -6.871 1.00 0.00 C ATOM 751 C MET A 52 4.972 3.448 -6.479 1.00 0.00 C ATOM 752 O MET A 52 6.084 3.545 -6.998 1.00 0.00 O ATOM 753 CB MET A 52 2.613 2.872 -7.093 1.00 0.00 C ATOM 754 CG MET A 52 1.642 1.851 -7.664 1.00 0.00 C ATOM 755 SD MET A 52 0.514 2.566 -8.875 1.00 0.00 S ATOM 756 CE MET A 52 -1.062 1.990 -8.249 1.00 0.00 C ATOM 0 H MET A 52 3.081 1.073 -5.467 1.00 0.00 H new ATOM 0 HA MET A 52 4.378 1.876 -7.801 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.223 3.241 -6.145 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.669 3.726 -7.769 1.00 0.00 H new ATOM 0 HG2 MET A 52 2.204 1.042 -8.130 1.00 0.00 H new ATOM 0 HG3 MET A 52 1.065 1.411 -6.851 1.00 0.00 H new ATOM 0 HE1 MET A 52 -1.807 2.778 -8.359 1.00 0.00 H new ATOM 0 HE2 MET A 52 -1.377 1.111 -8.811 1.00 0.00 H new ATOM 0 HE3 MET A 52 -0.962 1.730 -7.195 1.00 0.00 H new ATOM 766 N ASP A 53 4.528 4.298 -5.557 1.00 0.00 N ATOM 767 CA ASP A 53 5.345 5.417 -5.096 1.00 0.00 C ATOM 768 C ASP A 53 5.743 5.231 -3.634 1.00 0.00 C ATOM 769 O ASP A 53 4.916 4.867 -2.799 1.00 0.00 O ATOM 770 CB ASP A 53 4.586 6.733 -5.267 1.00 0.00 C ATOM 771 CG ASP A 53 4.779 7.337 -6.644 1.00 0.00 C ATOM 772 OD1 ASP A 53 5.943 7.469 -7.077 1.00 0.00 O ATOM 773 OD2 ASP A 53 3.765 7.677 -7.291 1.00 0.00 O ATOM 0 H ASP A 53 3.611 4.234 -5.116 1.00 0.00 H new ATOM 0 HA ASP A 53 6.252 5.448 -5.700 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.524 6.562 -5.094 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.921 7.443 -4.511 1.00 0.00 H new ATOM 778 N GLN A 54 7.015 5.482 -3.334 1.00 0.00 N ATOM 779 CA GLN A 54 7.525 5.340 -1.973 1.00 0.00 C ATOM 780 C GLN A 54 6.765 6.244 -1.005 1.00 0.00 C ATOM 781 O GLN A 54 6.497 5.867 0.135 1.00 0.00 O ATOM 782 CB GLN A 54 9.018 5.666 -1.927 1.00 0.00 C ATOM 783 CG GLN A 54 9.650 5.433 -0.565 1.00 0.00 C ATOM 784 CD GLN A 54 11.022 4.794 -0.660 1.00 0.00 C ATOM 785 OE1 GLN A 54 12.042 5.451 -0.447 1.00 0.00 O ATOM 786 NE2 GLN A 54 11.054 3.507 -0.982 1.00 0.00 N ATOM 0 H GLN A 54 7.711 5.785 -4.015 1.00 0.00 H new ATOM 0 HA GLN A 54 7.376 4.305 -1.666 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.537 5.058 -2.668 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.163 6.708 -2.212 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.732 6.384 -0.039 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.997 4.795 0.030 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.184 3.002 -1.150 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.948 3.023 -1.062 1.00 0.00 H new ATOM 795 N THR A 55 6.414 7.436 -1.471 1.00 0.00 N ATOM 796 CA THR A 55 5.678 8.388 -0.654 1.00 0.00 C ATOM 797 C THR A 55 4.250 7.904 -0.431 1.00 0.00 C ATOM 798 O THR A 55 3.686 8.076 0.650 1.00 0.00 O ATOM 799 CB THR A 55 5.665 9.765 -1.322 1.00 0.00 C ATOM 800 OG1 THR A 55 4.981 10.706 -0.516 1.00 0.00 O ATOM 801 CG2 THR A 55 5.007 9.763 -2.685 1.00 0.00 C ATOM 0 H THR A 55 6.628 7.765 -2.412 1.00 0.00 H new ATOM 0 HA THR A 55 6.176 8.470 0.312 1.00 0.00 H new ATOM 0 HB THR A 55 6.713 10.037 -1.444 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.985 11.580 -0.959 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.032 10.770 -3.102 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.543 9.083 -3.347 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.972 9.435 -2.589 1.00 0.00 H new ATOM 809 N GLU A 56 3.671 7.296 -1.463 1.00 0.00 N ATOM 810 CA GLU A 56 2.309 6.785 -1.382 1.00 0.00 C ATOM 811 C GLU A 56 2.243 5.539 -0.504 1.00 0.00 C ATOM 812 O GLU A 56 1.359 5.419 0.340 1.00 0.00 O ATOM 813 CB GLU A 56 1.763 6.483 -2.778 1.00 0.00 C ATOM 814 CG GLU A 56 1.115 7.684 -3.447 1.00 0.00 C ATOM 815 CD GLU A 56 1.337 7.710 -4.947 1.00 0.00 C ATOM 816 OE1 GLU A 56 0.562 7.054 -5.673 1.00 0.00 O ATOM 817 OE2 GLU A 56 2.285 8.388 -5.394 1.00 0.00 O ATOM 0 H GLU A 56 4.125 7.146 -2.364 1.00 0.00 H new ATOM 0 HA GLU A 56 1.688 7.556 -0.925 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.576 6.121 -3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.032 5.678 -2.707 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.044 7.675 -3.243 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.515 8.598 -3.009 1.00 0.00 H new ATOM 824 N VAL A 57 3.187 4.615 -0.689 1.00 0.00 N ATOM 825 CA VAL A 57 3.215 3.394 0.117 1.00 0.00 C ATOM 826 C VAL A 57 3.298 3.749 1.592 1.00 0.00 C ATOM 827 O VAL A 57 2.570 3.202 2.421 1.00 0.00 O ATOM 828 CB VAL A 57 4.417 2.487 -0.245 1.00 0.00 C ATOM 829 CG1 VAL A 57 5.710 3.280 -0.232 1.00 0.00 C ATOM 830 CG2 VAL A 57 4.516 1.297 0.707 1.00 0.00 C ATOM 0 H VAL A 57 3.933 4.687 -1.381 1.00 0.00 H new ATOM 0 HA VAL A 57 2.296 2.848 -0.094 1.00 0.00 H new ATOM 0 HB VAL A 57 4.253 2.104 -1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.542 2.624 -0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.648 4.089 -0.960 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.871 3.697 0.762 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.369 0.678 0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 57 4.647 1.657 1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.603 0.705 0.646 1.00 0.00 H new ATOM 840 N LEU A 58 4.190 4.674 1.904 1.00 0.00 N ATOM 841 CA LEU A 58 4.380 5.121 3.270 1.00 0.00 C ATOM 842 C LEU A 58 3.121 5.809 3.785 1.00 0.00 C ATOM 843 O LEU A 58 2.681 5.564 4.903 1.00 0.00 O ATOM 844 CB LEU A 58 5.582 6.073 3.336 1.00 0.00 C ATOM 845 CG LEU A 58 5.640 6.982 4.568 1.00 0.00 C ATOM 846 CD1 LEU A 58 5.824 6.157 5.832 1.00 0.00 C ATOM 847 CD2 LEU A 58 6.761 8.000 4.426 1.00 0.00 C ATOM 0 H LEU A 58 4.797 5.131 1.224 1.00 0.00 H new ATOM 0 HA LEU A 58 4.577 4.257 3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.495 5.479 3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.576 6.700 2.444 1.00 0.00 H new ATOM 0 HG LEU A 58 4.695 7.520 4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.863 6.820 6.697 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.987 5.467 5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 58 6.754 5.592 5.766 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.788 8.637 5.310 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.714 7.480 4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 58 6.586 8.613 3.542 1.00 0.00 H new ATOM 859 N HIS A 59 2.565 6.688 2.963 1.00 0.00 N ATOM 860 CA HIS A 59 1.372 7.445 3.324 1.00 0.00 C ATOM 861 C HIS A 59 0.099 6.593 3.386 1.00 0.00 C ATOM 862 O HIS A 59 -0.675 6.703 4.337 1.00 0.00 O ATOM 863 CB HIS A 59 1.169 8.591 2.331 1.00 0.00 C ATOM 864 CG HIS A 59 1.897 9.844 2.705 1.00 0.00 C ATOM 865 ND1 HIS A 59 1.296 11.085 2.732 1.00 0.00 N ATOM 866 CD2 HIS A 59 3.185 10.047 3.073 1.00 0.00 C ATOM 867 CE1 HIS A 59 2.180 11.996 3.098 1.00 0.00 C ATOM 868 NE2 HIS A 59 3.335 11.391 3.310 1.00 0.00 N ATOM 0 H HIS A 59 2.925 6.897 2.032 1.00 0.00 H new ATOM 0 HA HIS A 59 1.542 7.828 4.330 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.501 8.269 1.344 1.00 0.00 H new ATOM 0 HB3 HIS A 59 0.104 8.809 2.253 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.952 9.292 3.163 1.00 0.00 H new ATOM 0 HE1 HIS A 59 1.991 13.054 3.205 1.00 0.00 H new ATOM 0 HE2 HIS A 59 4.199 11.848 3.602 1.00 0.00 H new ATOM 876 N LEU A 60 -0.151 5.792 2.351 1.00 0.00 N ATOM 877 CA LEU A 60 -1.377 4.991 2.291 1.00 0.00 C ATOM 878 C LEU A 60 -1.472 3.936 3.392 1.00 0.00 C ATOM 879 O LEU A 60 -2.528 3.767 3.992 1.00 0.00 O ATOM 880 CB LEU A 60 -1.491 4.302 0.925 1.00 0.00 C ATOM 881 CG LEU A 60 -2.425 4.983 -0.076 1.00 0.00 C ATOM 882 CD1 LEU A 60 -3.837 5.090 0.485 1.00 0.00 C ATOM 883 CD2 LEU A 60 -1.888 6.358 -0.450 1.00 0.00 C ATOM 0 H LEU A 60 0.470 5.679 1.550 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.201 5.689 2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.496 4.240 0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.835 3.280 1.080 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.467 4.371 -0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.483 5.578 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.220 4.092 0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.820 5.677 1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.563 6.831 -1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.815 6.976 0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.901 6.253 -0.900 1.00 0.00 H new ATOM 895 N LEU A 61 -0.385 3.229 3.656 1.00 0.00 N ATOM 896 CA LEU A 61 -0.395 2.187 4.682 1.00 0.00 C ATOM 897 C LEU A 61 0.161 2.709 6.006 1.00 0.00 C ATOM 898 O LEU A 61 0.810 1.973 6.749 1.00 0.00 O ATOM 899 CB LEU A 61 0.384 0.966 4.185 1.00 0.00 C ATOM 900 CG LEU A 61 -0.408 -0.357 4.160 1.00 0.00 C ATOM 901 CD1 LEU A 61 -1.200 -0.527 2.861 1.00 0.00 C ATOM 902 CD2 LEU A 61 0.539 -1.521 4.355 1.00 0.00 C ATOM 0 H LEU A 61 0.510 3.352 3.182 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.426 1.886 4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.746 1.172 3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.261 0.833 4.818 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.130 -0.331 4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.743 -1.472 2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.908 0.295 2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.514 -0.525 2.014 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.023 -2.455 4.337 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.278 -1.527 3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.045 -1.421 5.315 1.00 0.00 H new ATOM 914 N GLU A 62 -0.119 3.982 6.300 1.00 0.00 N ATOM 915 CA GLU A 62 0.334 4.608 7.543 1.00 0.00 C ATOM 916 C GLU A 62 -0.526 5.823 7.904 1.00 0.00 C ATOM 917 O GLU A 62 -0.906 5.996 9.062 1.00 0.00 O ATOM 918 CB GLU A 62 1.799 5.044 7.449 1.00 0.00 C ATOM 919 CG GLU A 62 2.764 3.929 7.073 1.00 0.00 C ATOM 920 CD GLU A 62 2.911 2.889 8.168 1.00 0.00 C ATOM 921 OE1 GLU A 62 2.105 2.913 9.123 1.00 0.00 O ATOM 922 OE2 GLU A 62 3.830 2.050 8.070 1.00 0.00 O ATOM 0 H GLU A 62 -0.658 4.599 5.692 1.00 0.00 H new ATOM 0 HA GLU A 62 0.235 3.855 8.325 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.881 5.843 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.103 5.463 8.408 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.415 3.444 6.161 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.741 4.359 6.852 1.00 0.00 H new ATOM 929 N SER A 63 -0.815 6.676 6.917 1.00 0.00 N ATOM 930 CA SER A 63 -1.608 7.879 7.160 1.00 0.00 C ATOM 931 C SER A 63 -3.077 7.665 6.800 1.00 0.00 C ATOM 932 O SER A 63 -3.393 6.881 5.909 1.00 0.00 O ATOM 933 CB SER A 63 -1.047 9.050 6.352 1.00 0.00 C ATOM 934 OG SER A 63 0.365 9.112 6.457 1.00 0.00 O ATOM 0 H SER A 63 -0.513 6.555 5.950 1.00 0.00 H new ATOM 0 HA SER A 63 -1.548 8.105 8.225 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.333 8.944 5.305 1.00 0.00 H new ATOM 0 HB3 SER A 63 -1.483 9.984 6.708 1.00 0.00 H new ATOM 0 HG SER A 63 0.699 9.868 5.930 1.00 0.00 H new ATOM 940 N PRO A 64 -3.999 8.369 7.491 1.00 0.00 N ATOM 941 CA PRO A 64 -5.437 8.262 7.245 1.00 0.00 C ATOM 942 C PRO A 64 -5.891 9.127 6.069 1.00 0.00 C ATOM 943 O PRO A 64 -6.878 8.817 5.402 1.00 0.00 O ATOM 944 CB PRO A 64 -6.072 8.767 8.553 1.00 0.00 C ATOM 945 CG PRO A 64 -4.938 9.188 9.441 1.00 0.00 C ATOM 946 CD PRO A 64 -3.722 9.322 8.568 1.00 0.00 C ATOM 0 HA PRO A 64 -5.725 7.244 6.983 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.745 9.603 8.360 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.664 7.983 9.025 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -5.165 10.133 9.934 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -4.769 8.451 10.227 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -3.603 10.338 8.191 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.807 9.073 9.105 1.00 0.00 H new ATOM 954 N ASP A 65 -5.166 10.213 5.826 1.00 0.00 N ATOM 955 CA ASP A 65 -5.487 11.124 4.736 1.00 0.00 C ATOM 956 C ASP A 65 -5.000 10.566 3.401 1.00 0.00 C ATOM 957 O ASP A 65 -5.491 10.941 2.336 1.00 0.00 O ATOM 958 CB ASP A 65 -4.860 12.495 5.001 1.00 0.00 C ATOM 959 CG ASP A 65 -3.420 12.594 4.530 1.00 0.00 C ATOM 960 OD1 ASP A 65 -2.533 12.033 5.209 1.00 0.00 O ATOM 961 OD2 ASP A 65 -3.179 13.232 3.484 1.00 0.00 O ATOM 0 H ASP A 65 -4.348 10.484 6.373 1.00 0.00 H new ATOM 0 HA ASP A 65 -6.570 11.233 4.682 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.453 13.261 4.501 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.902 12.706 6.070 1.00 0.00 H new ATOM 966 N ALA A 66 -4.025 9.673 3.480 1.00 0.00 N ATOM 967 CA ALA A 66 -3.448 9.055 2.296 1.00 0.00 C ATOM 968 C ALA A 66 -4.485 8.226 1.543 1.00 0.00 C ATOM 969 O ALA A 66 -4.469 8.156 0.314 1.00 0.00 O ATOM 970 CB ALA A 66 -2.270 8.186 2.695 1.00 0.00 C ATOM 0 H ALA A 66 -3.614 9.358 4.359 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.105 9.846 1.629 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.840 7.725 1.806 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.515 8.800 3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.607 7.408 3.380 1.00 0.00 H new ATOM 976 N LEU A 67 -5.378 7.595 2.294 1.00 0.00 N ATOM 977 CA LEU A 67 -6.425 6.756 1.721 1.00 0.00 C ATOM 978 C LEU A 67 -7.339 7.544 0.786 1.00 0.00 C ATOM 979 O LEU A 67 -7.660 7.090 -0.310 1.00 0.00 O ATOM 980 CB LEU A 67 -7.246 6.127 2.847 1.00 0.00 C ATOM 981 CG LEU A 67 -6.461 5.179 3.754 1.00 0.00 C ATOM 982 CD1 LEU A 67 -5.597 5.953 4.732 1.00 0.00 C ATOM 983 CD2 LEU A 67 -7.397 4.249 4.506 1.00 0.00 C ATOM 0 H LEU A 67 -5.398 7.649 3.312 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.946 5.977 1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.671 6.924 3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -8.081 5.581 2.409 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.810 4.578 3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.049 5.255 5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.891 6.574 4.181 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.229 6.587 5.353 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.814 3.585 5.144 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.078 4.837 5.121 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.971 3.657 3.794 1.00 0.00 H new ATOM 995 N LYS A 68 -7.757 8.721 1.227 1.00 0.00 N ATOM 996 CA LYS A 68 -8.644 9.573 0.438 1.00 0.00 C ATOM 997 C LYS A 68 -8.064 9.879 -0.945 1.00 0.00 C ATOM 998 O LYS A 68 -8.801 10.021 -1.921 1.00 0.00 O ATOM 999 CB LYS A 68 -8.917 10.879 1.186 1.00 0.00 C ATOM 1000 CG LYS A 68 -10.258 10.899 1.901 1.00 0.00 C ATOM 1001 CD LYS A 68 -11.406 11.107 0.925 1.00 0.00 C ATOM 1002 CE LYS A 68 -12.611 10.255 1.293 1.00 0.00 C ATOM 1003 NZ LYS A 68 -13.016 10.450 2.713 1.00 0.00 N ATOM 0 H LYS A 68 -7.496 9.113 2.132 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.577 9.029 0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.123 11.044 1.915 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.878 11.708 0.479 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.400 9.961 2.437 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.263 11.695 2.645 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.692 12.159 0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.077 10.858 -0.084 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.446 10.506 0.639 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -12.378 9.204 1.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.989 10.109 2.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -12.374 9.917 3.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.968 11.461 2.952 1.00 0.00 H new ATOM 1017 N ALA A 69 -6.749 10.022 -1.006 1.00 0.00 N ATOM 1018 CA ALA A 69 -6.060 10.362 -2.250 1.00 0.00 C ATOM 1019 C ALA A 69 -6.127 9.278 -3.323 1.00 0.00 C ATOM 1020 O ALA A 69 -6.487 9.549 -4.470 1.00 0.00 O ATOM 1021 CB ALA A 69 -4.608 10.593 -1.928 1.00 0.00 C ATOM 0 H ALA A 69 -6.130 9.908 -0.204 1.00 0.00 H new ATOM 0 HA ALA A 69 -6.561 11.242 -2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -4.069 10.849 -2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.520 11.411 -1.213 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.182 9.687 -1.497 1.00 0.00 H new ATOM 1027 N LYS A 70 -5.739 8.063 -2.959 1.00 0.00 N ATOM 1028 CA LYS A 70 -5.714 6.956 -3.909 1.00 0.00 C ATOM 1029 C LYS A 70 -7.095 6.371 -4.133 1.00 0.00 C ATOM 1030 O LYS A 70 -7.422 5.927 -5.231 1.00 0.00 O ATOM 1031 CB LYS A 70 -4.757 5.866 -3.425 1.00 0.00 C ATOM 1032 CG LYS A 70 -3.328 6.349 -3.239 1.00 0.00 C ATOM 1033 CD LYS A 70 -2.822 7.093 -4.467 1.00 0.00 C ATOM 1034 CE LYS A 70 -2.995 8.597 -4.322 1.00 0.00 C ATOM 1035 NZ LYS A 70 -3.679 9.193 -5.503 1.00 0.00 N ATOM 0 H LYS A 70 -5.438 7.818 -2.016 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.363 7.351 -4.862 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.123 5.467 -2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.764 5.044 -4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.275 7.004 -2.369 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -2.679 5.497 -3.036 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -1.769 6.861 -4.625 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.360 6.748 -5.350 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -3.572 8.811 -3.422 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -2.019 9.064 -4.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.267 10.126 -5.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.555 8.570 -6.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.693 9.300 -5.299 1.00 0.00 H new ATOM 1049 N VAL A 71 -7.895 6.358 -3.083 1.00 0.00 N ATOM 1050 CA VAL A 71 -9.241 5.803 -3.174 1.00 0.00 C ATOM 1051 C VAL A 71 -10.068 6.491 -4.256 1.00 0.00 C ATOM 1052 O VAL A 71 -10.701 5.827 -5.072 1.00 0.00 O ATOM 1053 CB VAL A 71 -10.003 5.889 -1.838 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -9.313 5.053 -0.773 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -10.144 7.333 -1.389 1.00 0.00 C ATOM 0 H VAL A 71 -7.644 6.721 -2.163 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.106 4.753 -3.435 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.004 5.486 -1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.867 5.127 0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.279 4.012 -1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.297 5.420 -0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.685 7.369 -0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.155 7.771 -1.258 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.693 7.897 -2.143 1.00 0.00 H new ATOM 1065 N ALA A 72 -10.068 7.820 -4.255 1.00 0.00 N ATOM 1066 CA ALA A 72 -10.835 8.578 -5.238 1.00 0.00 C ATOM 1067 C ALA A 72 -10.388 8.269 -6.664 1.00 0.00 C ATOM 1068 O ALA A 72 -11.216 8.041 -7.547 1.00 0.00 O ATOM 1069 CB ALA A 72 -10.717 10.069 -4.959 1.00 0.00 C ATOM 0 H ALA A 72 -9.549 8.392 -3.589 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.879 8.277 -5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -11.293 10.624 -5.699 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.103 10.284 -3.962 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.670 10.368 -5.015 1.00 0.00 H new ATOM 1075 N GLU A 73 -9.080 8.267 -6.886 1.00 0.00 N ATOM 1076 CA GLU A 73 -8.530 7.990 -8.211 1.00 0.00 C ATOM 1077 C GLU A 73 -8.652 6.510 -8.568 1.00 0.00 C ATOM 1078 O GLU A 73 -9.119 6.157 -9.651 1.00 0.00 O ATOM 1079 CB GLU A 73 -7.062 8.420 -8.274 1.00 0.00 C ATOM 1080 CG GLU A 73 -6.868 9.849 -8.750 1.00 0.00 C ATOM 1081 CD GLU A 73 -6.389 9.924 -10.187 1.00 0.00 C ATOM 1082 OE1 GLU A 73 -5.184 9.695 -10.424 1.00 0.00 O ATOM 1083 OE2 GLU A 73 -7.218 10.214 -11.075 1.00 0.00 O ATOM 0 H GLU A 73 -8.379 8.453 -6.168 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.107 8.563 -8.937 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -6.617 8.312 -7.285 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -6.523 7.747 -8.941 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -7.809 10.391 -8.656 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -6.147 10.349 -8.104 1.00 0.00 H new ATOM 1090 N ALA A 74 -8.213 5.653 -7.654 1.00 0.00 N ATOM 1091 CA ALA A 74 -8.249 4.210 -7.866 1.00 0.00 C ATOM 1092 C ALA A 74 -9.677 3.683 -7.996 1.00 0.00 C ATOM 1093 O ALA A 74 -9.938 2.774 -8.782 1.00 0.00 O ATOM 1094 CB ALA A 74 -7.525 3.503 -6.732 1.00 0.00 C ATOM 0 H ALA A 74 -7.826 5.934 -6.753 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.742 4.001 -8.808 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.556 2.426 -6.896 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.488 3.836 -6.699 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.012 3.740 -5.786 1.00 0.00 H new ATOM 1100 N MET A 75 -10.598 4.245 -7.219 1.00 0.00 N ATOM 1101 CA MET A 75 -11.989 3.811 -7.255 1.00 0.00 C ATOM 1102 C MET A 75 -12.577 3.956 -8.654 1.00 0.00 C ATOM 1103 O MET A 75 -13.360 3.116 -9.097 1.00 0.00 O ATOM 1104 CB MET A 75 -12.826 4.612 -6.258 1.00 0.00 C ATOM 1105 CG MET A 75 -12.766 4.069 -4.840 1.00 0.00 C ATOM 1106 SD MET A 75 -14.244 3.136 -4.391 1.00 0.00 S ATOM 1107 CE MET A 75 -15.525 4.338 -4.744 1.00 0.00 C ATOM 0 H MET A 75 -10.407 4.999 -6.559 1.00 0.00 H new ATOM 0 HA MET A 75 -12.013 2.757 -6.978 1.00 0.00 H new ATOM 0 HB2 MET A 75 -12.483 5.647 -6.257 1.00 0.00 H new ATOM 0 HB3 MET A 75 -13.864 4.620 -6.591 1.00 0.00 H new ATOM 0 HG2 MET A 75 -11.891 3.428 -4.737 1.00 0.00 H new ATOM 0 HG3 MET A 75 -12.638 4.897 -4.143 1.00 0.00 H new ATOM 0 HE1 MET A 75 -16.363 4.187 -4.064 1.00 0.00 H new ATOM 0 HE2 MET A 75 -15.127 5.344 -4.611 1.00 0.00 H new ATOM 0 HE3 MET A 75 -15.866 4.215 -5.772 1.00 0.00 H new ATOM 1117 N GLU A 76 -12.198 5.025 -9.345 1.00 0.00 N ATOM 1118 CA GLU A 76 -12.695 5.274 -10.693 1.00 0.00 C ATOM 1119 C GLU A 76 -12.372 4.103 -11.616 1.00 0.00 C ATOM 1120 O GLU A 76 -13.240 3.610 -12.336 1.00 0.00 O ATOM 1121 CB GLU A 76 -12.089 6.562 -11.253 1.00 0.00 C ATOM 1122 CG GLU A 76 -12.865 7.814 -10.877 1.00 0.00 C ATOM 1123 CD GLU A 76 -14.189 7.920 -11.608 1.00 0.00 C ATOM 1124 OE1 GLU A 76 -15.117 7.154 -11.272 1.00 0.00 O ATOM 1125 OE2 GLU A 76 -14.298 8.770 -12.517 1.00 0.00 O ATOM 0 H GLU A 76 -11.550 5.731 -8.995 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.778 5.384 -10.640 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.065 6.658 -10.893 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.040 6.488 -12.339 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -13.046 7.816 -9.802 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.260 8.693 -11.100 1.00 0.00 H new ATOM 1132 N VAL A 77 -11.121 3.661 -11.589 1.00 0.00 N ATOM 1133 CA VAL A 77 -10.688 2.546 -12.423 1.00 0.00 C ATOM 1134 C VAL A 77 -11.188 1.212 -11.873 1.00 0.00 C ATOM 1135 O VAL A 77 -11.519 0.303 -12.634 1.00 0.00 O ATOM 1136 CB VAL A 77 -9.151 2.501 -12.551 1.00 0.00 C ATOM 1137 CG1 VAL A 77 -8.502 2.308 -11.189 1.00 0.00 C ATOM 1138 CG2 VAL A 77 -8.725 1.402 -13.514 1.00 0.00 C ATOM 0 H VAL A 77 -10.389 4.057 -10.999 1.00 0.00 H new ATOM 0 HA VAL A 77 -11.120 2.707 -13.411 1.00 0.00 H new ATOM 0 HB VAL A 77 -8.814 3.456 -12.954 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.418 2.279 -11.303 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -8.776 3.136 -10.535 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.846 1.371 -10.752 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.638 1.387 -13.591 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.076 0.438 -13.145 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -9.155 1.593 -14.497 1.00 0.00 H new ATOM 1148 N LEU A 78 -11.234 1.099 -10.549 1.00 0.00 N ATOM 1149 CA LEU A 78 -11.686 -0.128 -9.901 1.00 0.00 C ATOM 1150 C LEU A 78 -13.205 -0.260 -9.953 1.00 0.00 C ATOM 1151 O LEU A 78 -13.742 -1.096 -10.680 1.00 0.00 O ATOM 1152 CB LEU A 78 -11.220 -0.165 -8.444 1.00 0.00 C ATOM 1153 CG LEU A 78 -9.709 -0.073 -8.236 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -9.399 0.429 -6.835 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -9.054 -1.424 -8.479 1.00 0.00 C ATOM 0 H LEU A 78 -10.964 1.842 -9.904 1.00 0.00 H new ATOM 0 HA LEU A 78 -11.249 -0.965 -10.445 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.694 0.657 -7.908 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.576 -1.089 -7.990 1.00 0.00 H new ATOM 0 HG LEU A 78 -9.302 0.638 -8.955 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -8.319 0.490 -6.701 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.838 1.417 -6.697 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -9.818 -0.259 -6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -7.978 -1.339 -8.326 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.463 -2.157 -7.783 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.251 -1.745 -9.502 1.00 0.00 H new ATOM 1167 N ARG A 79 -13.889 0.560 -9.163 1.00 0.00 N ATOM 1168 CA ARG A 79 -15.323 0.547 -9.087 1.00 0.00 C ATOM 1169 C ARG A 79 -15.956 0.930 -10.426 1.00 0.00 C ATOM 1170 O ARG A 79 -17.000 0.395 -10.801 1.00 0.00 O ATOM 1171 CB ARG A 79 -15.713 1.504 -7.958 1.00 0.00 C ATOM 1172 CG ARG A 79 -16.847 2.455 -8.277 1.00 0.00 C ATOM 1173 CD ARG A 79 -17.954 2.379 -7.237 1.00 0.00 C ATOM 1174 NE ARG A 79 -19.095 1.598 -7.708 1.00 0.00 N ATOM 1175 CZ ARG A 79 -20.020 1.078 -6.905 1.00 0.00 C ATOM 1176 NH1 ARG A 79 -19.943 1.253 -5.591 1.00 0.00 N ATOM 1177 NH2 ARG A 79 -21.025 0.380 -7.416 1.00 0.00 N ATOM 0 H ARG A 79 -13.449 1.253 -8.558 1.00 0.00 H new ATOM 0 HA ARG A 79 -15.696 -0.454 -8.871 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -15.990 0.914 -7.084 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -14.836 2.090 -7.682 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -16.464 3.474 -8.327 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -17.254 2.219 -9.260 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -17.562 1.933 -6.323 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -18.284 3.387 -6.984 1.00 0.00 H new ATOM 0 HE ARG A 79 -19.188 1.442 -8.712 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -19.172 1.788 -5.192 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -20.655 0.852 -4.981 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -21.089 0.242 -8.425 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -21.734 -0.019 -6.801 1.00 0.00 H new ATOM 1191 N SER A 80 -15.324 1.853 -11.140 1.00 0.00 N ATOM 1192 CA SER A 80 -15.837 2.297 -12.432 1.00 0.00 C ATOM 1193 C SER A 80 -14.934 1.828 -13.567 1.00 0.00 C ATOM 1194 O SER A 80 -13.800 1.407 -13.340 1.00 0.00 O ATOM 1195 CB SER A 80 -15.968 3.822 -12.457 1.00 0.00 C ATOM 1196 OG SER A 80 -17.248 4.216 -12.919 1.00 0.00 O ATOM 0 H SER A 80 -14.459 2.308 -10.849 1.00 0.00 H new ATOM 0 HA SER A 80 -16.823 1.855 -12.575 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.800 4.221 -11.457 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.199 4.246 -13.102 1.00 0.00 H new ATOM 0 HG SER A 80 -17.307 5.194 -12.924 1.00 0.00 H new ATOM 1202 N ALA A 81 -15.446 1.902 -14.791 1.00 0.00 N ATOM 1203 CA ALA A 81 -14.689 1.483 -15.964 1.00 0.00 C ATOM 1204 C ALA A 81 -14.276 2.683 -16.810 1.00 0.00 C ATOM 1205 O ALA A 81 -14.999 3.093 -17.718 1.00 0.00 O ATOM 1206 CB ALA A 81 -15.505 0.505 -16.796 1.00 0.00 C ATOM 0 H ALA A 81 -16.383 2.249 -14.996 1.00 0.00 H new ATOM 0 HA ALA A 81 -13.782 0.985 -15.621 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -14.928 0.200 -17.669 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -15.745 -0.372 -16.195 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -16.428 0.985 -17.121 1.00 0.00 H new ATOM 1212 N GLN A 82 -13.108 3.239 -16.507 1.00 0.00 N ATOM 1213 CA GLN A 82 -12.596 4.390 -17.241 1.00 0.00 C ATOM 1214 C GLN A 82 -11.345 4.019 -18.030 1.00 0.00 C ATOM 1215 O GLN A 82 -11.125 4.518 -19.134 1.00 0.00 O ATOM 1216 CB GLN A 82 -12.284 5.538 -16.278 1.00 0.00 C ATOM 1217 CG GLN A 82 -11.338 5.149 -15.154 1.00 0.00 C ATOM 1218 CD GLN A 82 -10.744 6.352 -14.449 1.00 0.00 C ATOM 1219 OE1 GLN A 82 -11.389 7.394 -14.325 1.00 0.00 O ATOM 1220 NE2 GLN A 82 -9.508 6.215 -13.983 1.00 0.00 N ATOM 0 H GLN A 82 -12.498 2.911 -15.758 1.00 0.00 H new ATOM 0 HA GLN A 82 -13.364 4.713 -17.943 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -11.847 6.364 -16.840 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -13.216 5.903 -15.847 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.874 4.536 -14.429 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.533 4.535 -15.558 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -9.011 5.333 -14.108 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -9.056 6.991 -13.500 1.00 0.00 H new ATOM 1229 N GLN A 83 -10.529 3.141 -17.457 1.00 0.00 N ATOM 1230 CA GLN A 83 -9.299 2.703 -18.106 1.00 0.00 C ATOM 1231 C GLN A 83 -9.509 1.376 -18.830 1.00 0.00 C ATOM 1232 O GLN A 83 -9.963 0.399 -18.235 1.00 0.00 O ATOM 1233 CB GLN A 83 -8.176 2.563 -17.076 1.00 0.00 C ATOM 1234 CG GLN A 83 -7.438 3.863 -16.801 1.00 0.00 C ATOM 1235 CD GLN A 83 -6.333 3.699 -15.775 1.00 0.00 C ATOM 1236 OE1 GLN A 83 -6.570 3.793 -14.571 1.00 0.00 O ATOM 1237 NE2 GLN A 83 -5.117 3.452 -16.249 1.00 0.00 N ATOM 0 H GLN A 83 -10.697 2.719 -16.544 1.00 0.00 H new ATOM 0 HA GLN A 83 -9.017 3.457 -18.841 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.595 2.188 -16.142 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -7.463 1.817 -17.427 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.012 4.239 -17.731 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.147 4.612 -16.449 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.966 3.382 -17.255 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -4.334 3.332 -15.607 1.00 0.00 H new ATOM 1246 N HIS A 84 -9.175 1.351 -20.116 1.00 0.00 N ATOM 1247 CA HIS A 84 -9.326 0.145 -20.921 1.00 0.00 C ATOM 1248 C HIS A 84 -8.493 0.233 -22.196 1.00 0.00 C ATOM 1249 O HIS A 84 -9.020 0.501 -23.276 1.00 0.00 O ATOM 1250 CB HIS A 84 -10.797 -0.078 -21.272 1.00 0.00 C ATOM 1251 CG HIS A 84 -11.413 1.064 -22.020 1.00 0.00 C ATOM 1252 ND1 HIS A 84 -10.914 2.277 -22.354 1.00 0.00 N flip ATOM 1253 CD2 HIS A 84 -12.700 1.032 -22.516 1.00 0.00 C flip ATOM 1254 CE1 HIS A 84 -11.898 2.947 -23.040 1.00 0.00 C flip ATOM 1255 NE2 HIS A 84 -12.965 2.175 -23.124 1.00 0.00 N flip ATOM 0 H HIS A 84 -8.798 2.152 -20.623 1.00 0.00 H new ATOM 0 HA HIS A 84 -8.968 -0.701 -20.334 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.886 -0.984 -21.871 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -11.360 -0.246 -20.354 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -13.384 0.202 -22.422 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -11.812 3.944 -23.445 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -13.844 2.419 -23.580 1.00 0.00 H new ATOM 1263 N THR A 85 -7.190 0.009 -22.062 1.00 0.00 N ATOM 1264 CA THR A 85 -6.284 0.063 -23.203 1.00 0.00 C ATOM 1265 C THR A 85 -5.943 -1.340 -23.695 1.00 0.00 C ATOM 1266 O THR A 85 -6.646 -2.293 -23.298 1.00 0.00 O ATOM 1267 CB THR A 85 -5.003 0.810 -22.828 1.00 0.00 C ATOM 1268 OG1 THR A 85 -5.231 1.678 -21.732 1.00 0.00 O ATOM 1269 CG2 THR A 85 -4.439 1.639 -23.961 1.00 0.00 C ATOM 1270 OXT THR A 85 -4.977 -1.474 -24.475 1.00 0.00 O ATOM 0 H THR A 85 -6.738 -0.212 -21.175 1.00 0.00 H new ATOM 0 HA THR A 85 -6.786 0.598 -24.009 1.00 0.00 H new ATOM 0 HB THR A 85 -4.281 0.034 -22.574 1.00 0.00 H new ATOM 0 HG1 THR A 85 -4.400 2.145 -21.506 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.531 2.142 -23.627 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.205 0.990 -24.805 1.00 0.00 H new ATOM 0 HG23 THR A 85 -5.174 2.383 -24.268 1.00 0.00 H new TER 1278 THR A 85