USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 935 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 100 TYR OH : rot -91:sc= -0.0768 USER MOD Set 1.2: A 104 ASN : amide:sc= -4.98! C(o=-5.1!,f=-4.8!) USER MOD Set 2.1: A 23 SER OG : rot 109:sc= 0.985 USER MOD Set 2.2: A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.0186 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.2) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -133:sc= 0.515 (180deg=-0.927!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -100:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -164:sc= -0.0123 (180deg=-0.302) USER MOD Single : A 25 ASN : amide:sc= -1.14 K(o=-1.1,f=0) USER MOD Single : A 27 GLN : amide:sc= -9.94! C(o=-9.9!,f=-2.1!) USER MOD Single : A 30 MET CE :methyl -174:sc= -0.101 (180deg=-0.143) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 84:sc= -0.507 USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= -0.0706 (180deg=-0.58) USER MOD Single : A 45 SER OG : rot 160:sc= -0.771 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 15:sc= 0.0284! USER MOD Single : A 52 MET CE :methyl 141:sc= -1.82! (180deg=-4.98!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0512 USER MOD Single : A 67 LYS NZ :NH3+ 163:sc= -0.0488 (180deg=-0.478) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -1.38 K(o=-1.4,f=-0.3) USER MOD Single : A 76 THR OG1 : rot 73:sc= 1.35 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 85 ASN : amide:sc= -4.2! K(o=-4.2!,f=-0.42) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.466 X(o=-0.47,f=-0.098) USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 155:sc= -0.203 (180deg=-1.18) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ -130:sc= 0.12 (180deg=-0.32) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=-0.00024) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 117 HIS : no HE2:sc= -0.789 K(o=-0.79,f=-2.2) USER MOD Single : A 118 HIS : no HD1:sc= 0.066 K(o=0.066,f=-1) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=-0.0043) USER MOD Single : A 120 HIS : no HD1:sc= -0.228 X(o=-0.23,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.108 1.604 8.284 1.00 0.00 N ATOM 2 CA MET A 1 12.974 2.510 8.623 1.00 0.00 C ATOM 3 C MET A 1 11.728 2.096 7.836 1.00 0.00 C ATOM 4 O MET A 1 11.803 1.718 6.684 1.00 0.00 O ATOM 5 CB MET A 1 13.357 3.953 8.283 1.00 0.00 C ATOM 6 CG MET A 1 12.200 4.891 8.639 1.00 0.00 C ATOM 7 SD MET A 1 12.699 6.606 8.352 1.00 0.00 S ATOM 8 CE MET A 1 12.244 6.691 6.603 1.00 0.00 C ATOM 0 H1 MET A 1 14.971 2.167 8.141 1.00 0.00 H new ATOM 0 H2 MET A 1 14.259 0.930 9.062 1.00 0.00 H new ATOM 0 H3 MET A 1 13.887 1.082 7.412 1.00 0.00 H new ATOM 0 HA MET A 1 12.756 2.439 9.689 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.253 4.241 8.832 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.593 4.037 7.222 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.325 4.650 8.036 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.915 4.754 9.682 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.472 7.684 6.216 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.808 5.945 6.044 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.177 6.495 6.495 1.00 0.00 H new ATOM 20 N ALA A 2 10.583 2.149 8.461 1.00 0.00 N ATOM 21 CA ALA A 2 9.330 1.742 7.768 1.00 0.00 C ATOM 22 C ALA A 2 8.877 2.847 6.807 1.00 0.00 C ATOM 23 O ALA A 2 8.623 3.968 7.203 1.00 0.00 O ATOM 24 CB ALA A 2 8.245 1.495 8.821 1.00 0.00 C ATOM 0 H ALA A 2 10.462 2.458 9.426 1.00 0.00 H new ATOM 0 HA ALA A 2 9.507 0.833 7.194 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.320 1.196 8.327 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.568 0.704 9.497 1.00 0.00 H new ATOM 0 HB3 ALA A 2 8.074 2.410 9.388 1.00 0.00 H new ATOM 30 N GLU A 3 8.755 2.532 5.546 1.00 0.00 N ATOM 31 CA GLU A 3 8.302 3.551 4.556 1.00 0.00 C ATOM 32 C GLU A 3 7.673 2.848 3.356 1.00 0.00 C ATOM 33 O GLU A 3 8.003 1.721 3.046 1.00 0.00 O ATOM 34 CB GLU A 3 9.498 4.390 4.097 1.00 0.00 C ATOM 35 CG GLU A 3 10.538 3.489 3.424 1.00 0.00 C ATOM 36 CD GLU A 3 11.770 4.321 3.068 1.00 0.00 C ATOM 37 OE1 GLU A 3 11.603 5.493 2.771 1.00 0.00 O ATOM 38 OE2 GLU A 3 12.860 3.776 3.104 1.00 0.00 O ATOM 0 H GLU A 3 8.950 1.609 5.157 1.00 0.00 H new ATOM 0 HA GLU A 3 7.564 4.205 5.019 1.00 0.00 H new ATOM 0 HB2 GLU A 3 9.167 5.161 3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 3 9.944 4.901 4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.816 2.673 4.091 1.00 0.00 H new ATOM 0 HG3 GLU A 3 10.118 3.037 2.526 1.00 0.00 H new ATOM 45 N ILE A 4 6.775 3.513 2.677 1.00 0.00 N ATOM 46 CA ILE A 4 6.112 2.905 1.481 1.00 0.00 C ATOM 47 C ILE A 4 6.578 3.634 0.223 1.00 0.00 C ATOM 48 O ILE A 4 6.521 4.843 0.141 1.00 0.00 O ATOM 49 CB ILE A 4 4.598 3.049 1.624 1.00 0.00 C ATOM 50 CG1 ILE A 4 4.134 2.269 2.857 1.00 0.00 C ATOM 51 CG2 ILE A 4 3.911 2.497 0.374 1.00 0.00 C ATOM 52 CD1 ILE A 4 2.673 2.600 3.160 1.00 0.00 C ATOM 0 H ILE A 4 6.469 4.460 2.901 1.00 0.00 H new ATOM 0 HA ILE A 4 6.374 1.850 1.407 1.00 0.00 H new ATOM 0 HB ILE A 4 4.337 4.101 1.739 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.246 1.199 2.685 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.759 2.521 3.714 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.831 2.600 0.477 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.247 3.053 -0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 4 4.165 1.444 0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.348 2.042 4.038 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.574 3.668 3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.053 2.326 2.306 1.00 0.00 H new ATOM 64 N GLN A 5 7.036 2.912 -0.766 1.00 0.00 N ATOM 65 CA GLN A 5 7.499 3.579 -2.019 1.00 0.00 C ATOM 66 C GLN A 5 7.331 2.624 -3.201 1.00 0.00 C ATOM 67 O GLN A 5 7.204 1.428 -3.033 1.00 0.00 O ATOM 68 CB GLN A 5 8.973 3.972 -1.886 1.00 0.00 C ATOM 69 CG GLN A 5 9.789 2.775 -1.398 1.00 0.00 C ATOM 70 CD GLN A 5 11.263 3.172 -1.296 1.00 0.00 C ATOM 71 OE1 GLN A 5 11.755 3.933 -2.105 1.00 0.00 O ATOM 72 NE2 GLN A 5 11.994 2.690 -0.328 1.00 0.00 N ATOM 0 H GLN A 5 7.109 1.895 -0.761 1.00 0.00 H new ATOM 0 HA GLN A 5 6.902 4.475 -2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 5 9.355 4.316 -2.847 1.00 0.00 H new ATOM 0 HB3 GLN A 5 9.075 4.802 -1.187 1.00 0.00 H new ATOM 0 HG2 GLN A 5 9.422 2.443 -0.427 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.673 1.937 -2.086 1.00 0.00 H new ATOM 0 HE21 GLN A 5 11.583 2.051 0.352 1.00 0.00 H new ATOM 0 HE22 GLN A 5 12.977 2.952 -0.252 1.00 0.00 H new ATOM 81 N PHE A 6 7.329 3.155 -4.396 1.00 0.00 N ATOM 82 CA PHE A 6 7.173 2.305 -5.613 1.00 0.00 C ATOM 83 C PHE A 6 8.528 2.182 -6.308 1.00 0.00 C ATOM 84 O PHE A 6 8.824 1.184 -6.932 1.00 0.00 O ATOM 85 CB PHE A 6 6.179 2.978 -6.560 1.00 0.00 C ATOM 86 CG PHE A 6 4.815 3.014 -5.917 1.00 0.00 C ATOM 87 CD1 PHE A 6 4.445 4.108 -5.124 1.00 0.00 C ATOM 88 CD2 PHE A 6 3.921 1.959 -6.116 1.00 0.00 C ATOM 89 CE1 PHE A 6 3.179 4.143 -4.527 1.00 0.00 C ATOM 90 CE2 PHE A 6 2.653 1.993 -5.519 1.00 0.00 C ATOM 91 CZ PHE A 6 2.283 3.084 -4.725 1.00 0.00 C ATOM 0 H PHE A 6 7.430 4.153 -4.582 1.00 0.00 H new ATOM 0 HA PHE A 6 6.809 1.315 -5.337 1.00 0.00 H new ATOM 0 HB2 PHE A 6 6.510 3.990 -6.792 1.00 0.00 H new ATOM 0 HB3 PHE A 6 6.134 2.434 -7.503 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.136 4.924 -4.973 1.00 0.00 H new ATOM 0 HD2 PHE A 6 4.207 1.117 -6.730 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.893 4.985 -3.914 1.00 0.00 H new ATOM 0 HE2 PHE A 6 1.962 1.177 -5.672 1.00 0.00 H new ATOM 0 HZ PHE A 6 1.306 3.110 -4.265 1.00 0.00 H new ATOM 101 N SER A 7 9.353 3.198 -6.203 1.00 0.00 N ATOM 102 CA SER A 7 10.700 3.167 -6.855 1.00 0.00 C ATOM 103 C SER A 7 11.792 3.148 -5.784 1.00 0.00 C ATOM 104 O SER A 7 11.769 3.912 -4.839 1.00 0.00 O ATOM 105 CB SER A 7 10.868 4.405 -7.735 1.00 0.00 C ATOM 106 OG SER A 7 12.197 4.442 -8.238 1.00 0.00 O ATOM 0 H SER A 7 9.148 4.054 -5.689 1.00 0.00 H new ATOM 0 HA SER A 7 10.783 2.270 -7.469 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.155 4.380 -8.559 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.659 5.307 -7.159 1.00 0.00 H new ATOM 0 HG SER A 7 12.310 5.233 -8.805 1.00 0.00 H new ATOM 112 N LYS A 8 12.743 2.269 -5.925 1.00 0.00 N ATOM 113 CA LYS A 8 13.838 2.173 -4.919 1.00 0.00 C ATOM 114 C LYS A 8 14.708 3.429 -4.959 1.00 0.00 C ATOM 115 O LYS A 8 15.085 3.910 -6.009 1.00 0.00 O ATOM 116 CB LYS A 8 14.697 0.950 -5.245 1.00 0.00 C ATOM 117 CG LYS A 8 13.846 -0.329 -5.216 1.00 0.00 C ATOM 118 CD LYS A 8 13.552 -0.749 -3.770 1.00 0.00 C ATOM 119 CE LYS A 8 12.790 -2.072 -3.767 1.00 0.00 C ATOM 120 NZ LYS A 8 12.535 -2.484 -2.357 1.00 0.00 N ATOM 0 H LYS A 8 12.810 1.608 -6.699 1.00 0.00 H new ATOM 0 HA LYS A 8 13.407 2.079 -3.922 1.00 0.00 H new ATOM 0 HB2 LYS A 8 15.151 1.069 -6.229 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.512 0.868 -4.525 1.00 0.00 H new ATOM 0 HG2 LYS A 8 12.910 -0.162 -5.749 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.369 -1.132 -5.735 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.484 -0.853 -3.214 1.00 0.00 H new ATOM 0 HD3 LYS A 8 12.966 0.021 -3.269 1.00 0.00 H new ATOM 0 HE2 LYS A 8 11.847 -1.964 -4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.366 -2.839 -4.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 12.783 -3.487 -2.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.115 -1.905 -1.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 11.529 -2.348 -2.132 1.00 0.00 H new ATOM 134 N GLY A 9 15.041 3.954 -3.808 1.00 0.00 N ATOM 135 CA GLY A 9 15.897 5.176 -3.745 1.00 0.00 C ATOM 136 C GLY A 9 15.008 6.414 -3.628 1.00 0.00 C ATOM 137 O GLY A 9 15.474 7.491 -3.321 1.00 0.00 O ATOM 0 H GLY A 9 14.754 3.585 -2.902 1.00 0.00 H new ATOM 0 HA2 GLY A 9 16.571 5.117 -2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 9 16.519 5.244 -4.638 1.00 0.00 H new ATOM 141 N VAL A 10 13.728 6.270 -3.867 1.00 0.00 N ATOM 142 CA VAL A 10 12.802 7.442 -3.771 1.00 0.00 C ATOM 143 C VAL A 10 12.038 7.394 -2.446 1.00 0.00 C ATOM 144 O VAL A 10 11.274 6.484 -2.186 1.00 0.00 O ATOM 145 CB VAL A 10 11.824 7.400 -4.944 1.00 0.00 C ATOM 146 CG1 VAL A 10 10.988 8.681 -4.958 1.00 0.00 C ATOM 147 CG2 VAL A 10 12.620 7.302 -6.247 1.00 0.00 C ATOM 0 H VAL A 10 13.283 5.389 -4.125 1.00 0.00 H new ATOM 0 HA VAL A 10 13.375 8.368 -3.808 1.00 0.00 H new ATOM 0 HB VAL A 10 11.164 6.539 -4.844 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.290 8.651 -5.795 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.431 8.762 -4.024 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.646 9.544 -5.065 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.932 7.271 -7.092 1.00 0.00 H new ATOM 0 HG22 VAL A 10 13.272 8.170 -6.341 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.224 6.394 -6.237 1.00 0.00 H new ATOM 157 N ALA A 11 12.248 8.368 -1.600 1.00 0.00 N ATOM 158 CA ALA A 11 11.551 8.394 -0.283 1.00 0.00 C ATOM 159 C ALA A 11 10.189 9.078 -0.435 1.00 0.00 C ATOM 160 O ALA A 11 10.062 10.279 -0.296 1.00 0.00 O ATOM 161 CB ALA A 11 12.414 9.167 0.715 1.00 0.00 C ATOM 0 H ALA A 11 12.878 9.152 -1.768 1.00 0.00 H new ATOM 0 HA ALA A 11 11.396 7.377 0.076 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.915 9.193 1.684 1.00 0.00 H new ATOM 0 HB2 ALA A 11 13.381 8.674 0.818 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.562 10.185 0.355 1.00 0.00 H new ATOM 167 N GLU A 12 9.170 8.319 -0.725 1.00 0.00 N ATOM 168 CA GLU A 12 7.814 8.909 -0.894 1.00 0.00 C ATOM 169 C GLU A 12 7.257 9.334 0.469 1.00 0.00 C ATOM 170 O GLU A 12 7.373 8.626 1.450 1.00 0.00 O ATOM 171 CB GLU A 12 6.898 7.857 -1.524 1.00 0.00 C ATOM 172 CG GLU A 12 7.377 7.542 -2.945 1.00 0.00 C ATOM 173 CD GLU A 12 7.213 8.779 -3.831 1.00 0.00 C ATOM 174 OE1 GLU A 12 6.446 9.651 -3.462 1.00 0.00 O ATOM 175 OE2 GLU A 12 7.864 8.833 -4.864 1.00 0.00 O ATOM 0 H GLU A 12 9.219 7.308 -0.853 1.00 0.00 H new ATOM 0 HA GLU A 12 7.869 9.787 -1.538 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.900 6.950 -0.920 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.871 8.222 -1.548 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.422 7.232 -2.927 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.805 6.710 -3.356 1.00 0.00 H new ATOM 182 N THR A 13 6.656 10.495 0.537 1.00 0.00 N ATOM 183 CA THR A 13 6.082 10.991 1.827 1.00 0.00 C ATOM 184 C THR A 13 4.571 10.742 1.836 1.00 0.00 C ATOM 185 O THR A 13 3.867 11.155 2.734 1.00 0.00 O ATOM 186 CB THR A 13 6.359 12.493 1.951 1.00 0.00 C ATOM 187 OG1 THR A 13 5.709 13.180 0.891 1.00 0.00 O ATOM 188 CG2 THR A 13 7.867 12.750 1.876 1.00 0.00 C ATOM 0 H THR A 13 6.537 11.128 -0.254 1.00 0.00 H new ATOM 0 HA THR A 13 6.539 10.465 2.665 1.00 0.00 H new ATOM 0 HB THR A 13 5.981 12.852 2.908 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.883 14.141 0.969 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.059 13.819 1.965 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.367 12.223 2.689 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.250 12.391 0.921 1.00 0.00 H new ATOM 196 N VAL A 14 4.067 10.078 0.832 1.00 0.00 N ATOM 197 CA VAL A 14 2.601 9.807 0.765 1.00 0.00 C ATOM 198 C VAL A 14 2.145 9.080 2.033 1.00 0.00 C ATOM 199 O VAL A 14 2.842 8.233 2.557 1.00 0.00 O ATOM 200 CB VAL A 14 2.305 8.935 -0.455 1.00 0.00 C ATOM 201 CG1 VAL A 14 0.802 8.650 -0.533 1.00 0.00 C ATOM 202 CG2 VAL A 14 2.754 9.669 -1.719 1.00 0.00 C ATOM 0 H VAL A 14 4.610 9.709 0.051 1.00 0.00 H new ATOM 0 HA VAL A 14 2.064 10.752 0.683 1.00 0.00 H new ATOM 0 HB VAL A 14 2.844 7.992 -0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.594 8.028 -1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.483 8.129 0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.257 9.590 -0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.545 9.051 -2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.213 10.612 -1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.824 9.868 -1.663 1.00 0.00 H new ATOM 212 N VAL A 15 0.974 9.410 2.529 1.00 0.00 N ATOM 213 CA VAL A 15 0.444 8.754 3.767 1.00 0.00 C ATOM 214 C VAL A 15 -0.831 7.965 3.418 1.00 0.00 C ATOM 215 O VAL A 15 -1.933 8.459 3.568 1.00 0.00 O ATOM 216 CB VAL A 15 0.124 9.834 4.807 1.00 0.00 C ATOM 217 CG1 VAL A 15 1.421 10.261 5.498 1.00 0.00 C ATOM 218 CG2 VAL A 15 -0.503 11.049 4.116 1.00 0.00 C ATOM 0 H VAL A 15 0.357 10.114 2.123 1.00 0.00 H new ATOM 0 HA VAL A 15 1.187 8.069 4.175 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.577 9.436 5.541 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.202 11.029 6.240 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.872 9.399 5.990 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.114 10.659 4.757 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.729 11.814 4.859 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.196 11.451 3.382 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.423 10.748 3.614 1.00 0.00 H new ATOM 228 N PRO A 16 -0.685 6.744 2.946 1.00 0.00 N ATOM 229 CA PRO A 16 -1.840 5.882 2.552 1.00 0.00 C ATOM 230 C PRO A 16 -2.535 5.228 3.755 1.00 0.00 C ATOM 231 O PRO A 16 -1.926 4.964 4.771 1.00 0.00 O ATOM 232 CB PRO A 16 -1.196 4.834 1.634 1.00 0.00 C ATOM 233 CG PRO A 16 0.205 4.686 2.138 1.00 0.00 C ATOM 234 CD PRO A 16 0.600 6.046 2.732 1.00 0.00 C ATOM 0 HA PRO A 16 -2.634 6.453 2.070 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.734 3.887 1.678 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.209 5.159 0.594 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.265 3.901 2.892 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.880 4.405 1.330 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.147 5.927 3.667 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.246 6.603 2.053 1.00 0.00 H new ATOM 242 N GLU A 17 -3.811 4.965 3.640 1.00 0.00 N ATOM 243 CA GLU A 17 -4.559 4.329 4.766 1.00 0.00 C ATOM 244 C GLU A 17 -4.566 2.809 4.592 1.00 0.00 C ATOM 245 O GLU A 17 -4.719 2.298 3.501 1.00 0.00 O ATOM 246 CB GLU A 17 -5.995 4.853 4.771 1.00 0.00 C ATOM 247 CG GLU A 17 -5.989 6.321 5.195 1.00 0.00 C ATOM 248 CD GLU A 17 -7.407 6.885 5.112 1.00 0.00 C ATOM 249 OE1 GLU A 17 -8.300 6.140 4.745 1.00 0.00 O ATOM 250 OE2 GLU A 17 -7.575 8.054 5.419 1.00 0.00 O ATOM 0 H GLU A 17 -4.370 5.164 2.810 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.074 4.575 5.711 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.437 4.749 3.780 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.607 4.266 5.456 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.609 6.415 6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.321 6.893 4.551 1.00 0.00 H new ATOM 257 N VAL A 18 -4.393 2.081 5.665 1.00 0.00 N ATOM 258 CA VAL A 18 -4.377 0.589 5.576 1.00 0.00 C ATOM 259 C VAL A 18 -5.744 0.027 5.976 1.00 0.00 C ATOM 260 O VAL A 18 -6.285 0.368 7.008 1.00 0.00 O ATOM 261 CB VAL A 18 -3.313 0.047 6.529 1.00 0.00 C ATOM 262 CG1 VAL A 18 -3.150 -1.458 6.307 1.00 0.00 C ATOM 263 CG2 VAL A 18 -1.983 0.756 6.260 1.00 0.00 C ATOM 0 H VAL A 18 -4.261 2.457 6.604 1.00 0.00 H new ATOM 0 HA VAL A 18 -4.153 0.289 4.552 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.617 0.228 7.560 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.391 -1.846 6.986 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.099 -1.959 6.499 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.844 -1.643 5.277 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.222 0.371 6.939 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.676 0.575 5.230 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.103 1.828 6.420 1.00 0.00 H new ATOM 273 N ARG A 19 -6.300 -0.836 5.163 1.00 0.00 N ATOM 274 CA ARG A 19 -7.632 -1.439 5.478 1.00 0.00 C ATOM 275 C ARG A 19 -7.556 -2.952 5.277 1.00 0.00 C ATOM 276 O ARG A 19 -6.852 -3.437 4.414 1.00 0.00 O ATOM 277 CB ARG A 19 -8.690 -0.849 4.540 1.00 0.00 C ATOM 278 CG ARG A 19 -8.774 0.685 4.724 1.00 0.00 C ATOM 279 CD ARG A 19 -7.896 1.393 3.686 1.00 0.00 C ATOM 280 NE ARG A 19 -8.410 1.095 2.318 1.00 0.00 N ATOM 281 CZ ARG A 19 -9.396 1.792 1.819 1.00 0.00 C ATOM 282 NH1 ARG A 19 -9.946 2.744 2.521 1.00 0.00 N ATOM 283 NH2 ARG A 19 -9.832 1.531 0.619 1.00 0.00 N ATOM 0 H ARG A 19 -5.884 -1.151 4.287 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.902 -1.221 6.511 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.441 -1.085 3.505 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.661 -1.301 4.745 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.808 1.015 4.622 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.451 0.956 5.729 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -7.901 2.469 3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -6.863 1.059 3.779 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.990 0.344 1.770 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.606 2.946 3.461 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.716 3.287 2.129 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.404 0.784 0.072 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -10.602 2.073 0.227 1.00 0.00 H new ATOM 297 N LEU A 20 -8.264 -3.704 6.076 1.00 0.00 N ATOM 298 CA LEU A 20 -8.220 -5.188 5.943 1.00 0.00 C ATOM 299 C LEU A 20 -9.409 -5.651 5.102 1.00 0.00 C ATOM 300 O LEU A 20 -10.553 -5.409 5.436 1.00 0.00 O ATOM 301 CB LEU A 20 -8.306 -5.811 7.340 1.00 0.00 C ATOM 302 CG LEU A 20 -6.962 -5.667 8.076 1.00 0.00 C ATOM 303 CD1 LEU A 20 -5.862 -6.493 7.376 1.00 0.00 C ATOM 304 CD2 LEU A 20 -6.553 -4.187 8.126 1.00 0.00 C ATOM 0 H LEU A 20 -8.872 -3.354 6.816 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.293 -5.495 5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -9.096 -5.326 7.914 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.572 -6.865 7.259 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.081 -6.045 9.091 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.921 -6.376 7.914 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -6.147 -7.545 7.368 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.740 -6.142 6.351 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.601 -4.090 8.648 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.451 -3.803 7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.316 -3.616 8.655 1.00 0.00 H new ATOM 316 N SER A 21 -9.141 -6.317 4.008 1.00 0.00 N ATOM 317 CA SER A 21 -10.235 -6.805 3.112 1.00 0.00 C ATOM 318 C SER A 21 -10.341 -8.323 3.212 1.00 0.00 C ATOM 319 O SER A 21 -9.476 -8.980 3.759 1.00 0.00 O ATOM 320 CB SER A 21 -9.911 -6.418 1.675 1.00 0.00 C ATOM 321 OG SER A 21 -9.810 -5.003 1.583 1.00 0.00 O ATOM 0 H SER A 21 -8.199 -6.547 3.693 1.00 0.00 H new ATOM 0 HA SER A 21 -11.181 -6.356 3.414 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.976 -6.882 1.363 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.688 -6.783 1.003 1.00 0.00 H new ATOM 0 HG SER A 21 -10.643 -4.639 1.217 1.00 0.00 H new ATOM 327 N LYS A 22 -11.404 -8.884 2.689 1.00 0.00 N ATOM 328 CA LYS A 22 -11.600 -10.366 2.744 1.00 0.00 C ATOM 329 C LYS A 22 -11.852 -10.915 1.336 1.00 0.00 C ATOM 330 O LYS A 22 -12.559 -10.329 0.542 1.00 0.00 O ATOM 331 CB LYS A 22 -12.798 -10.671 3.639 1.00 0.00 C ATOM 332 CG LYS A 22 -12.766 -12.146 4.056 1.00 0.00 C ATOM 333 CD LYS A 22 -13.900 -12.442 5.045 1.00 0.00 C ATOM 334 CE LYS A 22 -13.548 -11.911 6.442 1.00 0.00 C ATOM 335 NZ LYS A 22 -14.518 -12.454 7.432 1.00 0.00 N ATOM 0 H LYS A 22 -12.152 -8.372 2.221 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.705 -10.839 3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.777 -10.032 4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.725 -10.452 3.110 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.865 -12.782 3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.805 -12.381 4.513 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -14.824 -11.981 4.696 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.078 -13.516 5.092 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.533 -12.205 6.711 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.576 -10.821 6.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.283 -12.097 8.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -15.480 -12.152 7.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.469 -13.493 7.432 1.00 0.00 H new ATOM 349 N SER A 23 -11.263 -12.035 1.028 1.00 0.00 N ATOM 350 CA SER A 23 -11.436 -12.642 -0.321 1.00 0.00 C ATOM 351 C SER A 23 -12.915 -12.927 -0.603 1.00 0.00 C ATOM 352 O SER A 23 -13.772 -12.740 0.239 1.00 0.00 O ATOM 353 CB SER A 23 -10.661 -13.953 -0.370 1.00 0.00 C ATOM 354 OG SER A 23 -9.358 -13.750 0.159 1.00 0.00 O ATOM 0 H SER A 23 -10.662 -12.563 1.661 1.00 0.00 H new ATOM 0 HA SER A 23 -11.065 -11.946 -1.073 1.00 0.00 H new ATOM 0 HB2 SER A 23 -11.183 -14.719 0.204 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.597 -14.312 -1.397 1.00 0.00 H new ATOM 0 HG SER A 23 -9.287 -14.191 1.032 1.00 0.00 H new ATOM 360 N LYS A 24 -13.217 -13.373 -1.794 1.00 0.00 N ATOM 361 CA LYS A 24 -14.633 -13.668 -2.158 1.00 0.00 C ATOM 362 C LYS A 24 -15.164 -14.818 -1.296 1.00 0.00 C ATOM 363 O LYS A 24 -16.269 -14.765 -0.793 1.00 0.00 O ATOM 364 CB LYS A 24 -14.691 -14.058 -3.636 1.00 0.00 C ATOM 365 CG LYS A 24 -14.309 -12.847 -4.495 1.00 0.00 C ATOM 366 CD LYS A 24 -14.353 -13.229 -5.977 1.00 0.00 C ATOM 367 CE LYS A 24 -13.882 -12.044 -6.826 1.00 0.00 C ATOM 368 NZ LYS A 24 -14.862 -10.925 -6.707 1.00 0.00 N ATOM 0 H LYS A 24 -12.538 -13.547 -2.535 1.00 0.00 H new ATOM 0 HA LYS A 24 -15.250 -12.786 -1.984 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.011 -14.887 -3.832 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -15.693 -14.400 -3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.994 -12.022 -4.302 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.310 -12.501 -4.229 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -13.717 -14.095 -6.159 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.367 -13.512 -6.260 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -12.897 -11.715 -6.496 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -13.784 -12.346 -7.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -14.700 -10.239 -7.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.829 -11.301 -6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.741 -10.454 -5.788 1.00 0.00 H new ATOM 382 N ASN A 25 -14.385 -15.861 -1.116 1.00 0.00 N ATOM 383 CA ASN A 25 -14.835 -17.020 -0.278 1.00 0.00 C ATOM 384 C ASN A 25 -14.050 -17.013 1.037 1.00 0.00 C ATOM 385 O ASN A 25 -14.295 -17.806 1.921 1.00 0.00 O ATOM 386 CB ASN A 25 -14.564 -18.325 -1.032 1.00 0.00 C ATOM 387 CG ASN A 25 -15.424 -18.376 -2.300 1.00 0.00 C ATOM 388 OD1 ASN A 25 -15.047 -18.987 -3.279 1.00 0.00 O ATOM 389 ND2 ASN A 25 -16.574 -17.754 -2.326 1.00 0.00 N ATOM 0 H ASN A 25 -13.452 -15.959 -1.516 1.00 0.00 H new ATOM 0 HA ASN A 25 -15.902 -16.940 -0.070 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -13.508 -18.393 -1.294 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -14.789 -19.179 -0.393 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -17.151 -17.783 -3.167 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -16.894 -17.240 -1.505 1.00 0.00 H new ATOM 396 N GLY A 26 -13.111 -16.114 1.175 1.00 0.00 N ATOM 397 CA GLY A 26 -12.318 -16.052 2.435 1.00 0.00 C ATOM 398 C GLY A 26 -11.367 -17.250 2.502 1.00 0.00 C ATOM 399 O GLY A 26 -11.064 -17.754 3.566 1.00 0.00 O ATOM 0 H GLY A 26 -12.860 -15.421 0.470 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -11.751 -15.122 2.474 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.985 -16.055 3.297 1.00 0.00 H new ATOM 403 N GLN A 27 -10.899 -17.718 1.377 1.00 0.00 N ATOM 404 CA GLN A 27 -9.977 -18.885 1.385 1.00 0.00 C ATOM 405 C GLN A 27 -8.560 -18.416 1.726 1.00 0.00 C ATOM 406 O GLN A 27 -7.665 -19.210 1.936 1.00 0.00 O ATOM 407 CB GLN A 27 -9.979 -19.546 -0.002 1.00 0.00 C ATOM 408 CG GLN A 27 -9.621 -18.514 -1.102 1.00 0.00 C ATOM 409 CD GLN A 27 -10.889 -17.872 -1.675 1.00 0.00 C ATOM 410 OE1 GLN A 27 -11.531 -18.436 -2.536 1.00 0.00 O ATOM 411 NE2 GLN A 27 -11.270 -16.703 -1.239 1.00 0.00 N ATOM 0 H GLN A 27 -11.116 -17.342 0.454 1.00 0.00 H new ATOM 0 HA GLN A 27 -10.309 -19.606 2.132 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.262 -20.367 -0.020 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.960 -19.975 -0.204 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -8.972 -17.743 -0.687 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.063 -19.004 -1.900 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.731 -16.228 -0.515 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.107 -16.264 -1.622 1.00 0.00 H new ATOM 420 N SER A 28 -8.345 -17.128 1.785 1.00 0.00 N ATOM 421 CA SER A 28 -6.983 -16.620 2.118 1.00 0.00 C ATOM 422 C SER A 28 -7.065 -15.173 2.601 1.00 0.00 C ATOM 423 O SER A 28 -8.035 -14.478 2.361 1.00 0.00 O ATOM 424 CB SER A 28 -6.083 -16.691 0.883 1.00 0.00 C ATOM 425 OG SER A 28 -6.726 -16.050 -0.208 1.00 0.00 O ATOM 0 H SER A 28 -9.050 -16.410 1.618 1.00 0.00 H new ATOM 0 HA SER A 28 -6.563 -17.241 2.910 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.127 -16.210 1.089 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.870 -17.731 0.634 1.00 0.00 H new ATOM 0 HG SER A 28 -6.149 -16.094 -0.999 1.00 0.00 H new ATOM 431 N GLY A 29 -6.055 -14.725 3.290 1.00 0.00 N ATOM 432 CA GLY A 29 -6.049 -13.331 3.815 1.00 0.00 C ATOM 433 C GLY A 29 -5.867 -12.324 2.679 1.00 0.00 C ATOM 434 O GLY A 29 -5.212 -12.594 1.690 1.00 0.00 O ATOM 0 H GLY A 29 -5.223 -15.271 3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.984 -13.131 4.338 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.245 -13.215 4.542 1.00 0.00 H new ATOM 438 N MET A 30 -6.429 -11.153 2.823 1.00 0.00 N ATOM 439 CA MET A 30 -6.279 -10.113 1.767 1.00 0.00 C ATOM 440 C MET A 30 -6.376 -8.729 2.408 1.00 0.00 C ATOM 441 O MET A 30 -7.123 -8.518 3.343 1.00 0.00 O ATOM 442 CB MET A 30 -7.388 -10.277 0.728 1.00 0.00 C ATOM 443 CG MET A 30 -7.189 -9.248 -0.390 1.00 0.00 C ATOM 444 SD MET A 30 -8.425 -9.514 -1.684 1.00 0.00 S ATOM 445 CE MET A 30 -9.733 -8.490 -0.969 1.00 0.00 C ATOM 0 H MET A 30 -6.987 -10.873 3.630 1.00 0.00 H new ATOM 0 HA MET A 30 -5.311 -10.222 1.279 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.371 -11.286 0.317 1.00 0.00 H new ATOM 0 HB3 MET A 30 -8.363 -10.140 1.195 1.00 0.00 H new ATOM 0 HG2 MET A 30 -7.278 -8.238 0.011 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.186 -9.338 -0.807 1.00 0.00 H new ATOM 0 HE1 MET A 30 -10.642 -8.596 -1.561 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.927 -8.810 0.055 1.00 0.00 H new ATOM 0 HE3 MET A 30 -9.419 -7.446 -0.969 1.00 0.00 H new ATOM 455 N ALA A 31 -5.632 -7.780 1.910 1.00 0.00 N ATOM 456 CA ALA A 31 -5.680 -6.403 2.481 1.00 0.00 C ATOM 457 C ALA A 31 -5.545 -5.398 1.344 1.00 0.00 C ATOM 458 O ALA A 31 -4.885 -5.657 0.358 1.00 0.00 O ATOM 459 CB ALA A 31 -4.525 -6.218 3.465 1.00 0.00 C ATOM 0 H ALA A 31 -4.989 -7.899 1.127 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.624 -6.249 3.004 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -4.560 -5.212 3.882 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.612 -6.948 4.270 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.578 -6.362 2.945 1.00 0.00 H new ATOM 465 N LYS A 32 -6.171 -4.256 1.474 1.00 0.00 N ATOM 466 CA LYS A 32 -6.095 -3.218 0.400 1.00 0.00 C ATOM 467 C LYS A 32 -5.473 -1.941 0.947 1.00 0.00 C ATOM 468 O LYS A 32 -5.683 -1.574 2.085 1.00 0.00 O ATOM 469 CB LYS A 32 -7.503 -2.922 -0.103 1.00 0.00 C ATOM 470 CG LYS A 32 -8.025 -4.140 -0.867 1.00 0.00 C ATOM 471 CD LYS A 32 -9.468 -3.890 -1.319 1.00 0.00 C ATOM 472 CE LYS A 32 -9.491 -2.936 -2.522 1.00 0.00 C ATOM 473 NZ LYS A 32 -10.843 -2.957 -3.143 1.00 0.00 N ATOM 0 H LYS A 32 -6.735 -3.996 2.283 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.476 -3.589 -0.417 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.162 -2.692 0.735 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.495 -2.046 -0.751 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.392 -4.337 -1.732 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.981 -5.025 -0.232 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.942 -4.835 -1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.045 -3.465 -0.498 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.241 -1.924 -2.203 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.739 -3.235 -3.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.861 -2.311 -3.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.064 -3.922 -3.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.551 -2.652 -2.445 1.00 0.00 H new ATOM 487 N PHE A 33 -4.710 -1.263 0.132 1.00 0.00 N ATOM 488 CA PHE A 33 -4.055 0.005 0.565 1.00 0.00 C ATOM 489 C PHE A 33 -4.599 1.150 -0.281 1.00 0.00 C ATOM 490 O PHE A 33 -4.669 1.057 -1.492 1.00 0.00 O ATOM 491 CB PHE A 33 -2.549 -0.117 0.348 1.00 0.00 C ATOM 492 CG PHE A 33 -1.981 -1.070 1.368 1.00 0.00 C ATOM 493 CD1 PHE A 33 -1.544 -0.589 2.608 1.00 0.00 C ATOM 494 CD2 PHE A 33 -1.897 -2.436 1.076 1.00 0.00 C ATOM 495 CE1 PHE A 33 -1.022 -1.478 3.557 1.00 0.00 C ATOM 496 CE2 PHE A 33 -1.374 -3.323 2.025 1.00 0.00 C ATOM 497 CZ PHE A 33 -0.937 -2.843 3.265 1.00 0.00 C ATOM 0 H PHE A 33 -4.510 -1.539 -0.830 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.258 0.196 1.619 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.342 -0.477 -0.660 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.075 0.860 0.441 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.609 0.465 2.833 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.235 -2.806 0.119 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.685 -1.109 4.514 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.308 -4.377 1.800 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.534 -3.527 3.997 1.00 0.00 H new ATOM 507 N TYR A 34 -4.991 2.227 0.348 1.00 0.00 N ATOM 508 CA TYR A 34 -5.542 3.390 -0.406 1.00 0.00 C ATOM 509 C TYR A 34 -4.500 4.505 -0.443 1.00 0.00 C ATOM 510 O TYR A 34 -3.975 4.908 0.577 1.00 0.00 O ATOM 511 CB TYR A 34 -6.804 3.890 0.299 1.00 0.00 C ATOM 512 CG TYR A 34 -7.543 4.830 -0.619 1.00 0.00 C ATOM 513 CD1 TYR A 34 -8.458 4.320 -1.548 1.00 0.00 C ATOM 514 CD2 TYR A 34 -7.317 6.207 -0.540 1.00 0.00 C ATOM 515 CE1 TYR A 34 -9.140 5.189 -2.407 1.00 0.00 C ATOM 516 CE2 TYR A 34 -7.998 7.077 -1.399 1.00 0.00 C ATOM 517 CZ TYR A 34 -8.914 6.569 -2.328 1.00 0.00 C ATOM 518 OH TYR A 34 -9.586 7.426 -3.174 1.00 0.00 O ATOM 0 H TYR A 34 -4.952 2.351 1.360 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.787 3.090 -1.425 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.442 3.049 0.569 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.540 4.400 1.226 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.637 3.256 -1.602 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.617 6.599 0.183 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.840 4.796 -3.130 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.817 8.140 -1.345 1.00 0.00 H new ATOM 0 HH TYR A 34 -9.315 8.349 -2.987 1.00 0.00 H new ATOM 528 N PHE A 35 -4.201 5.003 -1.614 1.00 0.00 N ATOM 529 CA PHE A 35 -3.190 6.095 -1.748 1.00 0.00 C ATOM 530 C PHE A 35 -3.897 7.379 -2.167 1.00 0.00 C ATOM 531 O PHE A 35 -4.493 7.454 -3.226 1.00 0.00 O ATOM 532 CB PHE A 35 -2.174 5.692 -2.810 1.00 0.00 C ATOM 533 CG PHE A 35 -1.277 4.618 -2.251 1.00 0.00 C ATOM 534 CD1 PHE A 35 -1.707 3.287 -2.232 1.00 0.00 C ATOM 535 CD2 PHE A 35 -0.019 4.957 -1.742 1.00 0.00 C ATOM 536 CE1 PHE A 35 -0.875 2.294 -1.705 1.00 0.00 C ATOM 537 CE2 PHE A 35 0.814 3.964 -1.219 1.00 0.00 C ATOM 538 CZ PHE A 35 0.384 2.633 -1.196 1.00 0.00 C ATOM 0 H PHE A 35 -4.618 4.697 -2.493 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.680 6.260 -0.799 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -2.686 5.329 -3.701 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.583 6.556 -3.112 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.679 3.027 -2.623 1.00 0.00 H new ATOM 0 HD2 PHE A 35 0.309 5.986 -1.753 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.204 1.265 -1.691 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.789 4.224 -0.833 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.024 1.866 -0.785 1.00 0.00 H new ATOM 548 N LEU A 36 -3.841 8.387 -1.335 1.00 0.00 N ATOM 549 CA LEU A 36 -4.517 9.678 -1.659 1.00 0.00 C ATOM 550 C LEU A 36 -3.546 10.631 -2.357 1.00 0.00 C ATOM 551 O LEU A 36 -2.458 10.886 -1.880 1.00 0.00 O ATOM 552 CB LEU A 36 -5.019 10.323 -0.358 1.00 0.00 C ATOM 553 CG LEU A 36 -5.663 11.690 -0.652 1.00 0.00 C ATOM 554 CD1 LEU A 36 -6.799 11.534 -1.677 1.00 0.00 C ATOM 555 CD2 LEU A 36 -6.218 12.276 0.651 1.00 0.00 C ATOM 0 H LEU A 36 -3.353 8.370 -0.440 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.355 9.482 -2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.745 9.668 0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.189 10.447 0.338 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.910 12.360 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -7.246 12.508 -1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.399 11.122 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -7.558 10.861 -1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -6.675 13.244 0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -6.967 11.600 1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.407 12.401 1.368 1.00 0.00 H new ATOM 567 N GLU A 37 -3.957 11.169 -3.477 1.00 0.00 N ATOM 568 CA GLU A 37 -3.108 12.137 -4.243 1.00 0.00 C ATOM 569 C GLU A 37 -1.625 11.762 -4.155 1.00 0.00 C ATOM 570 O GLU A 37 -0.847 12.428 -3.500 1.00 0.00 O ATOM 571 CB GLU A 37 -3.318 13.547 -3.683 1.00 0.00 C ATOM 572 CG GLU A 37 -4.695 14.059 -4.114 1.00 0.00 C ATOM 573 CD GLU A 37 -5.016 15.363 -3.381 1.00 0.00 C ATOM 574 OE1 GLU A 37 -4.366 15.637 -2.385 1.00 0.00 O ATOM 575 OE2 GLU A 37 -5.908 16.064 -3.828 1.00 0.00 O ATOM 0 H GLU A 37 -4.863 10.975 -3.903 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.404 12.104 -5.291 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.245 13.534 -2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.538 14.216 -4.047 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.711 14.223 -5.191 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.456 13.311 -3.894 1.00 0.00 H new ATOM 582 N PRO A 38 -1.239 10.706 -4.818 1.00 0.00 N ATOM 583 CA PRO A 38 0.175 10.235 -4.826 1.00 0.00 C ATOM 584 C PRO A 38 1.135 11.287 -5.406 1.00 0.00 C ATOM 585 O PRO A 38 0.823 11.973 -6.361 1.00 0.00 O ATOM 586 CB PRO A 38 0.142 8.968 -5.709 1.00 0.00 C ATOM 587 CG PRO A 38 -1.299 8.559 -5.765 1.00 0.00 C ATOM 588 CD PRO A 38 -2.110 9.843 -5.623 1.00 0.00 C ATOM 0 HA PRO A 38 0.544 10.043 -3.819 1.00 0.00 H new ATOM 0 HB2 PRO A 38 0.531 9.174 -6.706 1.00 0.00 H new ATOM 0 HB3 PRO A 38 0.759 8.176 -5.283 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -1.525 8.057 -6.706 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -1.536 7.858 -4.965 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -2.332 10.288 -6.593 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.065 9.663 -5.129 1.00 0.00 H new ATOM 596 N THR A 39 2.296 11.412 -4.829 1.00 0.00 N ATOM 597 CA THR A 39 3.288 12.405 -5.327 1.00 0.00 C ATOM 598 C THR A 39 4.069 11.811 -6.502 1.00 0.00 C ATOM 599 O THR A 39 4.696 12.519 -7.262 1.00 0.00 O ATOM 600 CB THR A 39 4.251 12.758 -4.191 1.00 0.00 C ATOM 601 OG1 THR A 39 4.895 11.573 -3.745 1.00 0.00 O ATOM 602 CG2 THR A 39 3.471 13.384 -3.034 1.00 0.00 C ATOM 0 H THR A 39 2.604 10.864 -4.026 1.00 0.00 H new ATOM 0 HA THR A 39 2.772 13.304 -5.664 1.00 0.00 H new ATOM 0 HB THR A 39 4.996 13.470 -4.547 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.661 11.379 -4.325 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.158 13.635 -2.226 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.971 14.289 -3.380 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.727 12.675 -2.671 1.00 0.00 H new ATOM 610 N ILE A 40 4.054 10.513 -6.644 1.00 0.00 N ATOM 611 CA ILE A 40 4.814 9.874 -7.757 1.00 0.00 C ATOM 612 C ILE A 40 4.198 10.274 -9.100 1.00 0.00 C ATOM 613 O ILE A 40 4.648 9.859 -10.149 1.00 0.00 O ATOM 614 CB ILE A 40 4.773 8.350 -7.585 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.730 7.681 -8.585 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.350 7.843 -7.824 1.00 0.00 C ATOM 617 CD1 ILE A 40 6.027 6.248 -8.128 1.00 0.00 C ATOM 0 H ILE A 40 3.548 9.867 -6.037 1.00 0.00 H new ATOM 0 HA ILE A 40 5.851 10.209 -7.736 1.00 0.00 H new ATOM 0 HB ILE A 40 5.083 8.100 -6.571 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.285 7.672 -9.580 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.656 8.251 -8.655 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.324 6.760 -7.701 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.673 8.306 -7.106 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.037 8.101 -8.836 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.706 5.773 -8.837 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.490 6.269 -7.141 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.097 5.681 -8.081 1.00 0.00 H new ATOM 629 N LEU A 41 3.173 11.086 -9.080 1.00 0.00 N ATOM 630 CA LEU A 41 2.534 11.518 -10.355 1.00 0.00 C ATOM 631 C LEU A 41 3.312 12.702 -10.926 1.00 0.00 C ATOM 632 O LEU A 41 3.091 13.126 -12.042 1.00 0.00 O ATOM 633 CB LEU A 41 1.092 11.946 -10.076 1.00 0.00 C ATOM 634 CG LEU A 41 0.285 10.753 -9.550 1.00 0.00 C ATOM 635 CD1 LEU A 41 -1.111 11.233 -9.133 1.00 0.00 C ATOM 636 CD2 LEU A 41 0.158 9.668 -10.637 1.00 0.00 C ATOM 0 H LEU A 41 2.751 11.468 -8.233 1.00 0.00 H new ATOM 0 HA LEU A 41 2.539 10.695 -11.070 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.079 12.755 -9.346 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.635 12.331 -10.988 1.00 0.00 H new ATOM 0 HG LEU A 41 0.801 10.325 -8.691 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.689 10.388 -8.758 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.018 11.985 -8.350 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.619 11.667 -9.994 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.417 8.828 -10.247 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.350 10.083 -11.508 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.151 9.324 -10.926 1.00 0.00 H new ATOM 648 N ALA A 42 4.227 13.242 -10.165 1.00 0.00 N ATOM 649 CA ALA A 42 5.031 14.399 -10.656 1.00 0.00 C ATOM 650 C ALA A 42 6.315 13.879 -11.298 1.00 0.00 C ATOM 651 O ALA A 42 6.974 14.576 -12.043 1.00 0.00 O ATOM 652 CB ALA A 42 5.383 15.300 -9.475 1.00 0.00 C ATOM 0 H ALA A 42 4.453 12.930 -9.221 1.00 0.00 H new ATOM 0 HA ALA A 42 4.458 14.965 -11.390 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.971 16.148 -9.827 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.467 15.662 -9.008 1.00 0.00 H new ATOM 0 HB3 ALA A 42 5.963 14.734 -8.746 1.00 0.00 H new ATOM 658 N LYS A 43 6.674 12.654 -11.008 1.00 0.00 N ATOM 659 CA LYS A 43 7.916 12.060 -11.588 1.00 0.00 C ATOM 660 C LYS A 43 7.540 11.055 -12.672 1.00 0.00 C ATOM 661 O LYS A 43 8.086 11.072 -13.755 1.00 0.00 O ATOM 662 CB LYS A 43 8.697 11.349 -10.481 1.00 0.00 C ATOM 663 CG LYS A 43 9.239 12.387 -9.496 1.00 0.00 C ATOM 664 CD LYS A 43 10.016 11.681 -8.384 1.00 0.00 C ATOM 665 CE LYS A 43 10.499 12.715 -7.363 1.00 0.00 C ATOM 666 NZ LYS A 43 11.382 13.707 -8.040 1.00 0.00 N ATOM 0 H LYS A 43 6.154 12.034 -10.387 1.00 0.00 H new ATOM 0 HA LYS A 43 8.531 12.847 -12.023 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.051 10.641 -9.962 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.518 10.775 -10.911 1.00 0.00 H new ATOM 0 HG2 LYS A 43 9.888 13.092 -10.015 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.417 12.963 -9.070 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.382 10.941 -7.896 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.867 11.144 -8.804 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.646 13.221 -6.910 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.041 12.220 -6.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.970 14.190 -7.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 11.995 13.217 -8.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.798 14.407 -8.540 1.00 0.00 H new ATOM 680 N GLU A 44 6.612 10.174 -12.389 1.00 0.00 N ATOM 681 CA GLU A 44 6.202 9.156 -13.408 1.00 0.00 C ATOM 682 C GLU A 44 4.684 8.981 -13.397 1.00 0.00 C ATOM 683 O GLU A 44 4.021 9.216 -12.407 1.00 0.00 O ATOM 684 CB GLU A 44 6.867 7.815 -13.087 1.00 0.00 C ATOM 685 CG GLU A 44 8.388 7.939 -13.232 1.00 0.00 C ATOM 686 CD GLU A 44 8.747 8.256 -14.687 1.00 0.00 C ATOM 687 OE1 GLU A 44 7.921 8.007 -15.549 1.00 0.00 O ATOM 688 OE2 GLU A 44 9.843 8.742 -14.913 1.00 0.00 O ATOM 0 H GLU A 44 6.120 10.115 -11.497 1.00 0.00 H new ATOM 0 HA GLU A 44 6.516 9.498 -14.394 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.614 7.507 -12.073 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.491 7.043 -13.758 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.762 8.725 -12.576 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.869 7.011 -12.923 1.00 0.00 H new ATOM 695 N SER A 45 4.138 8.577 -14.507 1.00 0.00 N ATOM 696 CA SER A 45 2.665 8.387 -14.599 1.00 0.00 C ATOM 697 C SER A 45 2.240 7.141 -13.819 1.00 0.00 C ATOM 698 O SER A 45 3.026 6.248 -13.566 1.00 0.00 O ATOM 699 CB SER A 45 2.282 8.216 -16.068 1.00 0.00 C ATOM 700 OG SER A 45 0.996 7.613 -16.155 1.00 0.00 O ATOM 0 H SER A 45 4.653 8.368 -15.362 1.00 0.00 H new ATOM 0 HA SER A 45 2.163 9.256 -14.174 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.276 9.184 -16.569 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.021 7.598 -16.578 1.00 0.00 H new ATOM 0 HG SER A 45 0.612 7.788 -17.039 1.00 0.00 H new ATOM 706 N THR A 46 0.993 7.076 -13.440 1.00 0.00 N ATOM 707 CA THR A 46 0.493 5.896 -12.681 1.00 0.00 C ATOM 708 C THR A 46 0.587 4.653 -13.564 1.00 0.00 C ATOM 709 O THR A 46 0.699 3.542 -13.084 1.00 0.00 O ATOM 710 CB THR A 46 -0.966 6.142 -12.281 1.00 0.00 C ATOM 711 OG1 THR A 46 -1.420 5.072 -11.468 1.00 0.00 O ATOM 712 CG2 THR A 46 -1.836 6.242 -13.538 1.00 0.00 C ATOM 0 H THR A 46 0.294 7.796 -13.625 1.00 0.00 H new ATOM 0 HA THR A 46 1.095 5.745 -11.785 1.00 0.00 H new ATOM 0 HB THR A 46 -1.036 7.075 -11.723 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.352 5.230 -11.211 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.873 6.417 -13.250 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.487 7.068 -14.157 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.768 5.312 -14.102 1.00 0.00 H new ATOM 720 N ASP A 47 0.529 4.829 -14.856 1.00 0.00 N ATOM 721 CA ASP A 47 0.604 3.660 -15.778 1.00 0.00 C ATOM 722 C ASP A 47 2.002 3.037 -15.699 1.00 0.00 C ATOM 723 O ASP A 47 2.206 1.900 -16.073 1.00 0.00 O ATOM 724 CB ASP A 47 0.325 4.128 -17.208 1.00 0.00 C ATOM 725 CG ASP A 47 1.334 5.210 -17.600 1.00 0.00 C ATOM 726 OD1 ASP A 47 2.315 5.365 -16.893 1.00 0.00 O ATOM 727 OD2 ASP A 47 1.105 5.870 -18.600 1.00 0.00 O ATOM 0 H ASP A 47 0.433 5.735 -15.314 1.00 0.00 H new ATOM 0 HA ASP A 47 -0.137 2.915 -15.490 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.393 3.286 -17.897 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.690 4.519 -17.282 1.00 0.00 H new ATOM 732 N ASP A 48 2.965 3.775 -15.224 1.00 0.00 N ATOM 733 CA ASP A 48 4.347 3.233 -15.132 1.00 0.00 C ATOM 734 C ASP A 48 4.471 2.343 -13.896 1.00 0.00 C ATOM 735 O ASP A 48 5.491 1.723 -13.673 1.00 0.00 O ATOM 736 CB ASP A 48 5.332 4.394 -15.016 1.00 0.00 C ATOM 737 CG ASP A 48 5.364 5.171 -16.333 1.00 0.00 C ATOM 738 OD1 ASP A 48 4.843 4.663 -17.313 1.00 0.00 O ATOM 739 OD2 ASP A 48 5.906 6.264 -16.340 1.00 0.00 O ATOM 0 H ASP A 48 2.853 4.734 -14.894 1.00 0.00 H new ATOM 0 HA ASP A 48 4.567 2.646 -16.023 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.038 5.054 -14.200 1.00 0.00 H new ATOM 0 HB3 ASP A 48 6.327 4.018 -14.779 1.00 0.00 H new ATOM 744 N ILE A 49 3.445 2.273 -13.086 1.00 0.00 N ATOM 745 CA ILE A 49 3.513 1.418 -11.861 1.00 0.00 C ATOM 746 C ILE A 49 2.859 0.068 -12.142 1.00 0.00 C ATOM 747 O ILE A 49 1.687 -0.016 -12.447 1.00 0.00 O ATOM 748 CB ILE A 49 2.786 2.116 -10.712 1.00 0.00 C ATOM 749 CG1 ILE A 49 3.467 3.459 -10.435 1.00 0.00 C ATOM 750 CG2 ILE A 49 2.854 1.240 -9.459 1.00 0.00 C ATOM 751 CD1 ILE A 49 2.630 4.270 -9.446 1.00 0.00 C ATOM 0 H ILE A 49 2.564 2.770 -13.219 1.00 0.00 H new ATOM 0 HA ILE A 49 4.556 1.260 -11.585 1.00 0.00 H new ATOM 0 HB ILE A 49 1.742 2.280 -10.980 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.466 3.294 -10.031 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.587 4.015 -11.365 1.00 0.00 H new ATOM 0 HG21 ILE A 49 2.336 1.737 -8.639 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.378 0.280 -9.660 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.896 1.078 -9.184 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.119 5.225 -9.252 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.641 4.448 -9.867 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.533 3.716 -8.512 1.00 0.00 H new ATOM 763 N THR A 50 3.623 -0.990 -12.041 1.00 0.00 N ATOM 764 CA THR A 50 3.086 -2.361 -12.293 1.00 0.00 C ATOM 765 C THR A 50 3.101 -3.141 -10.977 1.00 0.00 C ATOM 766 O THR A 50 2.705 -4.287 -10.916 1.00 0.00 O ATOM 767 CB THR A 50 3.975 -3.073 -13.325 1.00 0.00 C ATOM 768 OG1 THR A 50 3.987 -4.467 -13.058 1.00 0.00 O ATOM 769 CG2 THR A 50 5.404 -2.528 -13.238 1.00 0.00 C ATOM 0 H THR A 50 4.611 -0.961 -11.791 1.00 0.00 H new ATOM 0 HA THR A 50 2.068 -2.302 -12.677 1.00 0.00 H new ATOM 0 HB THR A 50 3.579 -2.895 -14.325 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.253 -4.690 -12.448 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.032 -3.035 -13.971 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.398 -1.458 -13.443 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.800 -2.703 -12.238 1.00 0.00 H new ATOM 777 N GLY A 51 3.557 -2.524 -9.921 1.00 0.00 N ATOM 778 CA GLY A 51 3.600 -3.225 -8.609 1.00 0.00 C ATOM 779 C GLY A 51 3.939 -2.225 -7.506 1.00 0.00 C ATOM 780 O GLY A 51 4.136 -1.053 -7.763 1.00 0.00 O ATOM 0 H GLY A 51 3.902 -1.564 -9.912 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.638 -3.695 -8.405 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.345 -4.020 -8.634 1.00 0.00 H new ATOM 784 N MET A 52 4.006 -2.676 -6.277 1.00 0.00 N ATOM 785 CA MET A 52 4.330 -1.756 -5.141 1.00 0.00 C ATOM 786 C MET A 52 5.406 -2.384 -4.259 1.00 0.00 C ATOM 787 O MET A 52 5.409 -3.579 -4.024 1.00 0.00 O ATOM 788 CB MET A 52 3.063 -1.521 -4.317 1.00 0.00 C ATOM 789 CG MET A 52 3.374 -0.587 -3.146 1.00 0.00 C ATOM 790 SD MET A 52 1.837 -0.196 -2.278 1.00 0.00 S ATOM 791 CE MET A 52 1.481 -1.860 -1.658 1.00 0.00 C ATOM 0 H MET A 52 3.849 -3.648 -6.010 1.00 0.00 H new ATOM 0 HA MET A 52 4.700 -0.807 -5.530 1.00 0.00 H new ATOM 0 HB2 MET A 52 2.285 -1.086 -4.945 1.00 0.00 H new ATOM 0 HB3 MET A 52 2.679 -2.471 -3.945 1.00 0.00 H new ATOM 0 HG2 MET A 52 4.081 -1.061 -2.465 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.844 0.327 -3.509 1.00 0.00 H new ATOM 0 HE1 MET A 52 1.082 -1.793 -0.646 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.748 -2.341 -2.306 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.398 -2.449 -1.648 1.00 0.00 H new ATOM 801 N TYR A 53 6.320 -1.582 -3.768 1.00 0.00 N ATOM 802 CA TYR A 53 7.413 -2.106 -2.896 1.00 0.00 C ATOM 803 C TYR A 53 7.219 -1.593 -1.469 1.00 0.00 C ATOM 804 O TYR A 53 7.239 -0.401 -1.214 1.00 0.00 O ATOM 805 CB TYR A 53 8.753 -1.613 -3.438 1.00 0.00 C ATOM 806 CG TYR A 53 8.996 -2.238 -4.789 1.00 0.00 C ATOM 807 CD1 TYR A 53 8.468 -1.641 -5.941 1.00 0.00 C ATOM 808 CD2 TYR A 53 9.741 -3.417 -4.891 1.00 0.00 C ATOM 809 CE1 TYR A 53 8.687 -2.226 -7.194 1.00 0.00 C ATOM 810 CE2 TYR A 53 9.962 -4.001 -6.143 1.00 0.00 C ATOM 811 CZ TYR A 53 9.435 -3.407 -7.294 1.00 0.00 C ATOM 812 OH TYR A 53 9.651 -3.982 -8.529 1.00 0.00 O ATOM 0 H TYR A 53 6.354 -0.577 -3.937 1.00 0.00 H new ATOM 0 HA TYR A 53 7.393 -3.196 -2.890 1.00 0.00 H new ATOM 0 HB2 TYR A 53 8.749 -0.526 -3.521 1.00 0.00 H new ATOM 0 HB3 TYR A 53 9.557 -1.877 -2.751 1.00 0.00 H new ATOM 0 HD1 TYR A 53 7.893 -0.730 -5.863 1.00 0.00 H new ATOM 0 HD2 TYR A 53 10.146 -3.877 -4.002 1.00 0.00 H new ATOM 0 HE1 TYR A 53 8.280 -1.767 -8.083 1.00 0.00 H new ATOM 0 HE2 TYR A 53 10.539 -4.910 -6.220 1.00 0.00 H new ATOM 0 HH TYR A 53 10.189 -4.794 -8.422 1.00 0.00 H new ATOM 822 N LEU A 54 7.035 -2.489 -0.538 1.00 0.00 N ATOM 823 CA LEU A 54 6.844 -2.084 0.884 1.00 0.00 C ATOM 824 C LEU A 54 8.152 -2.297 1.641 1.00 0.00 C ATOM 825 O LEU A 54 8.687 -3.386 1.679 1.00 0.00 O ATOM 826 CB LEU A 54 5.737 -2.946 1.496 1.00 0.00 C ATOM 827 CG LEU A 54 4.458 -2.798 0.661 1.00 0.00 C ATOM 828 CD1 LEU A 54 3.355 -3.679 1.254 1.00 0.00 C ATOM 829 CD2 LEU A 54 4.002 -1.327 0.653 1.00 0.00 C ATOM 0 H LEU A 54 7.009 -3.495 -0.704 1.00 0.00 H new ATOM 0 HA LEU A 54 6.561 -1.033 0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.048 -3.990 1.524 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.550 -2.641 2.526 1.00 0.00 H new ATOM 0 HG LEU A 54 4.660 -3.111 -0.363 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.447 -3.574 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.676 -4.721 1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.156 -3.371 2.280 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.094 -1.231 0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.803 -1.002 1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.786 -0.705 0.221 1.00 0.00 H new ATOM 841 N ILE A 55 8.675 -1.256 2.240 1.00 0.00 N ATOM 842 CA ILE A 55 9.958 -1.375 2.997 1.00 0.00 C ATOM 843 C ILE A 55 9.657 -1.341 4.496 1.00 0.00 C ATOM 844 O ILE A 55 9.089 -0.396 5.005 1.00 0.00 O ATOM 845 CB ILE A 55 10.867 -0.203 2.616 1.00 0.00 C ATOM 846 CG1 ILE A 55 11.352 -0.390 1.168 1.00 0.00 C ATOM 847 CG2 ILE A 55 12.076 -0.153 3.555 1.00 0.00 C ATOM 848 CD1 ILE A 55 10.189 -0.242 0.171 1.00 0.00 C ATOM 0 H ILE A 55 8.264 -0.322 2.237 1.00 0.00 H new ATOM 0 HA ILE A 55 10.457 -2.313 2.754 1.00 0.00 H new ATOM 0 HB ILE A 55 10.309 0.729 2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 55 12.125 0.345 0.942 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.807 -1.374 1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 55 12.718 0.683 3.278 1.00 0.00 H new ATOM 0 HG22 ILE A 55 11.734 -0.023 4.582 1.00 0.00 H new ATOM 0 HG23 ILE A 55 12.638 -1.084 3.475 1.00 0.00 H new ATOM 0 HD11 ILE A 55 10.561 -0.379 -0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.429 -0.994 0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.752 0.752 0.266 1.00 0.00 H new ATOM 860 N ASP A 56 10.028 -2.378 5.200 1.00 0.00 N ATOM 861 CA ASP A 56 9.761 -2.441 6.669 1.00 0.00 C ATOM 862 C ASP A 56 11.043 -2.119 7.444 1.00 0.00 C ATOM 863 O ASP A 56 11.918 -1.428 6.961 1.00 0.00 O ATOM 864 CB ASP A 56 9.306 -3.857 7.021 1.00 0.00 C ATOM 865 CG ASP A 56 8.027 -4.188 6.249 1.00 0.00 C ATOM 866 OD1 ASP A 56 7.258 -3.277 5.996 1.00 0.00 O ATOM 867 OD2 ASP A 56 7.839 -5.350 5.928 1.00 0.00 O ATOM 0 H ASP A 56 10.509 -3.192 4.817 1.00 0.00 H new ATOM 0 HA ASP A 56 8.990 -1.717 6.934 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.089 -4.574 6.774 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.127 -3.937 8.093 1.00 0.00 H new ATOM 872 N ASP A 57 11.156 -2.613 8.648 1.00 0.00 N ATOM 873 CA ASP A 57 12.371 -2.341 9.467 1.00 0.00 C ATOM 874 C ASP A 57 13.550 -3.150 8.921 1.00 0.00 C ATOM 875 O ASP A 57 14.675 -3.000 9.356 1.00 0.00 O ATOM 876 CB ASP A 57 12.096 -2.737 10.920 1.00 0.00 C ATOM 877 CG ASP A 57 11.655 -4.203 10.986 1.00 0.00 C ATOM 878 OD1 ASP A 57 11.477 -4.796 9.934 1.00 0.00 O ATOM 879 OD2 ASP A 57 11.505 -4.707 12.088 1.00 0.00 O ATOM 0 H ASP A 57 10.453 -3.197 9.101 1.00 0.00 H new ATOM 0 HA ASP A 57 12.617 -1.280 9.420 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.993 -2.590 11.522 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.321 -2.096 11.341 1.00 0.00 H new ATOM 884 N GLU A 58 13.303 -4.001 7.962 1.00 0.00 N ATOM 885 CA GLU A 58 14.401 -4.817 7.370 1.00 0.00 C ATOM 886 C GLU A 58 13.843 -5.603 6.186 1.00 0.00 C ATOM 887 O GLU A 58 14.354 -5.541 5.088 1.00 0.00 O ATOM 888 CB GLU A 58 14.946 -5.803 8.413 1.00 0.00 C ATOM 889 CG GLU A 58 16.133 -6.566 7.819 1.00 0.00 C ATOM 890 CD GLU A 58 16.707 -7.524 8.866 1.00 0.00 C ATOM 891 OE1 GLU A 58 16.383 -7.364 10.030 1.00 0.00 O ATOM 892 OE2 GLU A 58 17.463 -8.403 8.482 1.00 0.00 O ATOM 0 H GLU A 58 12.380 -4.167 7.560 1.00 0.00 H new ATOM 0 HA GLU A 58 15.207 -4.159 7.045 1.00 0.00 H new ATOM 0 HB2 GLU A 58 15.256 -5.267 9.310 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.164 -6.501 8.713 1.00 0.00 H new ATOM 0 HG2 GLU A 58 15.815 -7.123 6.938 1.00 0.00 H new ATOM 0 HG3 GLU A 58 16.902 -5.865 7.493 1.00 0.00 H new ATOM 899 N GLY A 59 12.797 -6.351 6.412 1.00 0.00 N ATOM 900 CA GLY A 59 12.196 -7.162 5.314 1.00 0.00 C ATOM 901 C GLY A 59 11.389 -6.270 4.369 1.00 0.00 C ATOM 902 O GLY A 59 11.075 -5.136 4.677 1.00 0.00 O ATOM 0 H GLY A 59 12.330 -6.436 7.315 1.00 0.00 H new ATOM 0 HA2 GLY A 59 12.983 -7.672 4.758 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.551 -7.933 5.735 1.00 0.00 H new ATOM 906 N GLU A 60 11.037 -6.784 3.217 1.00 0.00 N ATOM 907 CA GLU A 60 10.236 -5.984 2.242 1.00 0.00 C ATOM 908 C GLU A 60 9.283 -6.915 1.491 1.00 0.00 C ATOM 909 O GLU A 60 9.590 -8.065 1.249 1.00 0.00 O ATOM 910 CB GLU A 60 11.174 -5.291 1.251 1.00 0.00 C ATOM 911 CG GLU A 60 12.002 -6.334 0.499 1.00 0.00 C ATOM 912 CD GLU A 60 12.977 -5.621 -0.439 1.00 0.00 C ATOM 913 OE1 GLU A 60 12.628 -4.558 -0.926 1.00 0.00 O ATOM 914 OE2 GLU A 60 14.057 -6.146 -0.651 1.00 0.00 O ATOM 0 H GLU A 60 11.271 -7.728 2.909 1.00 0.00 H new ATOM 0 HA GLU A 60 9.660 -5.227 2.774 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.595 -4.696 0.545 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.834 -4.604 1.781 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.549 -6.959 1.205 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.347 -6.994 -0.071 1.00 0.00 H new ATOM 921 N ILE A 61 8.129 -6.420 1.122 1.00 0.00 N ATOM 922 CA ILE A 61 7.131 -7.255 0.383 1.00 0.00 C ATOM 923 C ILE A 61 6.860 -6.634 -0.985 1.00 0.00 C ATOM 924 O ILE A 61 6.618 -5.450 -1.105 1.00 0.00 O ATOM 925 CB ILE A 61 5.835 -7.318 1.188 1.00 0.00 C ATOM 926 CG1 ILE A 61 6.101 -8.077 2.490 1.00 0.00 C ATOM 927 CG2 ILE A 61 4.761 -8.043 0.376 1.00 0.00 C ATOM 928 CD1 ILE A 61 4.894 -7.946 3.418 1.00 0.00 C ATOM 0 H ILE A 61 7.831 -5.461 1.303 1.00 0.00 H new ATOM 0 HA ILE A 61 7.523 -8.263 0.247 1.00 0.00 H new ATOM 0 HB ILE A 61 5.487 -6.310 1.413 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.295 -9.128 2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.992 -7.681 2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.837 -8.087 0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.583 -7.504 -0.555 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.097 -9.055 0.151 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.087 -8.488 4.344 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.720 -6.894 3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.013 -8.363 2.930 1.00 0.00 H new ATOM 940 N ILE A 62 6.906 -7.435 -2.019 1.00 0.00 N ATOM 941 CA ILE A 62 6.664 -6.924 -3.400 1.00 0.00 C ATOM 942 C ILE A 62 5.379 -7.540 -3.937 1.00 0.00 C ATOM 943 O ILE A 62 5.193 -8.740 -3.894 1.00 0.00 O ATOM 944 CB ILE A 62 7.842 -7.326 -4.296 1.00 0.00 C ATOM 945 CG1 ILE A 62 9.146 -6.658 -3.782 1.00 0.00 C ATOM 946 CG2 ILE A 62 7.554 -6.879 -5.737 1.00 0.00 C ATOM 947 CD1 ILE A 62 9.867 -7.581 -2.786 1.00 0.00 C ATOM 0 H ILE A 62 7.104 -8.434 -1.963 1.00 0.00 H new ATOM 0 HA ILE A 62 6.571 -5.838 -3.388 1.00 0.00 H new ATOM 0 HB ILE A 62 7.969 -8.408 -4.271 1.00 0.00 H new ATOM 0 HG12 ILE A 62 9.803 -6.436 -4.622 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.910 -5.708 -3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.388 -7.162 -6.379 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.643 -7.361 -6.092 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.426 -5.797 -5.764 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.779 -7.097 -2.436 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.214 -7.781 -1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 62 10.121 -8.520 -3.278 1.00 0.00 H new ATOM 959 N THR A 63 4.486 -6.724 -4.437 1.00 0.00 N ATOM 960 CA THR A 63 3.196 -7.247 -4.979 1.00 0.00 C ATOM 961 C THR A 63 2.954 -6.674 -6.371 1.00 0.00 C ATOM 962 O THR A 63 3.106 -5.492 -6.607 1.00 0.00 O ATOM 963 CB THR A 63 2.054 -6.838 -4.047 1.00 0.00 C ATOM 964 OG1 THR A 63 0.815 -7.019 -4.716 1.00 0.00 O ATOM 965 CG2 THR A 63 2.209 -5.371 -3.640 1.00 0.00 C ATOM 0 H THR A 63 4.596 -5.712 -4.493 1.00 0.00 H new ATOM 0 HA THR A 63 3.242 -8.334 -5.044 1.00 0.00 H new ATOM 0 HB THR A 63 2.081 -7.458 -3.151 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.081 -6.759 -4.121 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.391 -5.089 -2.977 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.159 -5.235 -3.123 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.187 -4.742 -4.530 1.00 0.00 H new ATOM 973 N ARG A 64 2.575 -7.512 -7.296 1.00 0.00 N ATOM 974 CA ARG A 64 2.309 -7.041 -8.685 1.00 0.00 C ATOM 975 C ARG A 64 0.813 -6.763 -8.822 1.00 0.00 C ATOM 976 O ARG A 64 0.346 -6.307 -9.846 1.00 0.00 O ATOM 977 CB ARG A 64 2.728 -8.144 -9.669 1.00 0.00 C ATOM 978 CG ARG A 64 2.961 -7.553 -11.073 1.00 0.00 C ATOM 979 CD ARG A 64 4.413 -7.080 -11.207 1.00 0.00 C ATOM 980 NE ARG A 64 5.325 -8.259 -11.132 1.00 0.00 N ATOM 981 CZ ARG A 64 5.549 -8.985 -12.194 1.00 0.00 C ATOM 982 NH1 ARG A 64 4.968 -8.693 -13.326 1.00 0.00 N ATOM 983 NH2 ARG A 64 6.352 -10.012 -12.120 1.00 0.00 N ATOM 0 H ARG A 64 2.437 -8.512 -7.148 1.00 0.00 H new ATOM 0 HA ARG A 64 2.872 -6.133 -8.900 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.638 -8.628 -9.316 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.956 -8.912 -9.715 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.742 -8.303 -11.833 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.281 -6.719 -11.243 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.552 -6.558 -12.154 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.651 -6.371 -10.414 1.00 0.00 H new ATOM 0 HE ARG A 64 5.775 -8.498 -10.248 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.336 -7.895 -13.384 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.146 -9.263 -14.153 1.00 0.00 H new ATOM 0 HH21 ARG A 64 6.802 -10.245 -11.235 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.529 -10.581 -12.947 1.00 0.00 H new ATOM 997 N GLU A 65 0.060 -7.038 -7.792 1.00 0.00 N ATOM 998 CA GLU A 65 -1.406 -6.791 -7.853 1.00 0.00 C ATOM 999 C GLU A 65 -1.678 -5.336 -7.496 1.00 0.00 C ATOM 1000 O GLU A 65 -2.116 -5.027 -6.406 1.00 0.00 O ATOM 1001 CB GLU A 65 -2.115 -7.711 -6.854 1.00 0.00 C ATOM 1002 CG GLU A 65 -1.959 -9.169 -7.296 1.00 0.00 C ATOM 1003 CD GLU A 65 -2.689 -9.383 -8.625 1.00 0.00 C ATOM 1004 OE1 GLU A 65 -3.554 -8.583 -8.938 1.00 0.00 O ATOM 1005 OE2 GLU A 65 -2.365 -10.341 -9.308 1.00 0.00 O ATOM 0 H GLU A 65 0.399 -7.424 -6.910 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.778 -6.996 -8.857 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.694 -7.576 -5.858 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.172 -7.451 -6.791 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.903 -9.415 -7.406 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.365 -9.836 -6.535 1.00 0.00 H new ATOM 1012 N VAL A 66 -1.417 -4.436 -8.413 1.00 0.00 N ATOM 1013 CA VAL A 66 -1.651 -2.983 -8.149 1.00 0.00 C ATOM 1014 C VAL A 66 -2.565 -2.413 -9.228 1.00 0.00 C ATOM 1015 O VAL A 66 -2.361 -2.635 -10.405 1.00 0.00 O ATOM 1016 CB VAL A 66 -0.312 -2.240 -8.159 1.00 0.00 C ATOM 1017 CG1 VAL A 66 -0.558 -0.727 -8.135 1.00 0.00 C ATOM 1018 CG2 VAL A 66 0.493 -2.641 -6.920 1.00 0.00 C ATOM 0 H VAL A 66 -1.049 -4.649 -9.340 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.123 -2.860 -7.174 1.00 0.00 H new ATOM 0 HB VAL A 66 0.241 -2.500 -9.062 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.398 -0.203 -8.142 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.137 -0.439 -9.012 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.110 -0.462 -7.233 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.448 -2.115 -6.921 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.066 -2.377 -6.022 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.671 -3.716 -6.934 1.00 0.00 H new ATOM 1028 N LYS A 67 -3.561 -1.666 -8.829 1.00 0.00 N ATOM 1029 CA LYS A 67 -4.501 -1.052 -9.816 1.00 0.00 C ATOM 1030 C LYS A 67 -4.594 0.446 -9.550 1.00 0.00 C ATOM 1031 O LYS A 67 -4.599 0.890 -8.419 1.00 0.00 O ATOM 1032 CB LYS A 67 -5.879 -1.692 -9.670 1.00 0.00 C ATOM 1033 CG LYS A 67 -5.809 -3.143 -10.146 1.00 0.00 C ATOM 1034 CD LYS A 67 -7.191 -3.786 -10.025 1.00 0.00 C ATOM 1035 CE LYS A 67 -7.137 -5.213 -10.572 1.00 0.00 C ATOM 1036 NZ LYS A 67 -6.207 -6.029 -9.740 1.00 0.00 N ATOM 0 H LYS A 67 -3.766 -1.453 -7.853 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.136 -1.218 -10.830 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.204 -1.653 -8.630 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -6.614 -1.139 -10.255 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.467 -3.182 -11.180 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.084 -3.698 -9.550 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.509 -3.796 -8.983 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -7.926 -3.201 -10.577 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.133 -5.655 -10.563 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.802 -5.204 -11.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.380 -7.039 -9.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.224 -5.797 -9.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.367 -5.820 -8.734 1.00 0.00 H new ATOM 1050 N GLY A 68 -4.646 1.231 -10.589 1.00 0.00 N ATOM 1051 CA GLY A 68 -4.718 2.710 -10.420 1.00 0.00 C ATOM 1052 C GLY A 68 -6.173 3.165 -10.345 1.00 0.00 C ATOM 1053 O GLY A 68 -7.031 2.656 -11.039 1.00 0.00 O ATOM 0 H GLY A 68 -4.642 0.909 -11.557 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.190 3.005 -9.513 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -4.218 3.203 -11.254 1.00 0.00 H new ATOM 1057 N LYS A 69 -6.453 4.137 -9.514 1.00 0.00 N ATOM 1058 CA LYS A 69 -7.847 4.661 -9.389 1.00 0.00 C ATOM 1059 C LYS A 69 -7.930 6.006 -10.102 1.00 0.00 C ATOM 1060 O LYS A 69 -7.344 6.991 -9.685 1.00 0.00 O ATOM 1061 CB LYS A 69 -8.189 4.830 -7.909 1.00 0.00 C ATOM 1062 CG LYS A 69 -8.234 3.457 -7.223 1.00 0.00 C ATOM 1063 CD LYS A 69 -9.478 2.673 -7.672 1.00 0.00 C ATOM 1064 CE LYS A 69 -9.730 1.513 -6.711 1.00 0.00 C ATOM 1065 NZ LYS A 69 -11.008 0.848 -7.086 1.00 0.00 N ATOM 0 H LYS A 69 -5.769 4.594 -8.911 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.555 3.966 -9.840 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.446 5.464 -7.425 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.152 5.330 -7.804 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.334 2.893 -7.466 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.248 3.585 -6.141 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.346 3.332 -7.697 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.336 2.295 -8.684 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.906 0.800 -6.756 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.781 1.877 -5.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -11.190 0.055 -6.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -11.788 1.533 -7.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -10.940 0.490 -8.060 1.00 0.00 H new ATOM 1079 N PHE A 70 -8.646 6.037 -11.193 1.00 0.00 N ATOM 1080 CA PHE A 70 -8.779 7.289 -11.987 1.00 0.00 C ATOM 1081 C PHE A 70 -10.131 7.933 -11.700 1.00 0.00 C ATOM 1082 O PHE A 70 -11.167 7.312 -11.839 1.00 0.00 O ATOM 1083 CB PHE A 70 -8.700 6.937 -13.472 1.00 0.00 C ATOM 1084 CG PHE A 70 -7.413 6.192 -13.744 1.00 0.00 C ATOM 1085 CD1 PHE A 70 -7.277 4.861 -13.329 1.00 0.00 C ATOM 1086 CD2 PHE A 70 -6.356 6.831 -14.402 1.00 0.00 C ATOM 1087 CE1 PHE A 70 -6.084 4.171 -13.574 1.00 0.00 C ATOM 1088 CE2 PHE A 70 -5.162 6.139 -14.646 1.00 0.00 C ATOM 1089 CZ PHE A 70 -5.026 4.809 -14.231 1.00 0.00 C ATOM 0 H PHE A 70 -9.151 5.236 -11.572 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.982 7.983 -11.720 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -9.555 6.324 -13.758 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.742 7.844 -14.075 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.092 4.368 -12.820 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.460 7.857 -14.722 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.980 3.144 -13.255 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.347 6.632 -15.154 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.105 4.276 -14.418 1.00 0.00 H new ATOM 1099 N ILE A 71 -10.125 9.180 -11.310 1.00 0.00 N ATOM 1100 CA ILE A 71 -11.400 9.900 -11.019 1.00 0.00 C ATOM 1101 C ILE A 71 -11.612 10.980 -12.079 1.00 0.00 C ATOM 1102 O ILE A 71 -10.795 11.860 -12.259 1.00 0.00 O ATOM 1103 CB ILE A 71 -11.310 10.534 -9.632 1.00 0.00 C ATOM 1104 CG1 ILE A 71 -11.230 9.418 -8.582 1.00 0.00 C ATOM 1105 CG2 ILE A 71 -12.549 11.395 -9.384 1.00 0.00 C ATOM 1106 CD1 ILE A 71 -10.948 10.016 -7.201 1.00 0.00 C ATOM 0 H ILE A 71 -9.281 9.737 -11.179 1.00 0.00 H new ATOM 0 HA ILE A 71 -12.240 9.206 -11.040 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.422 11.163 -9.565 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.166 8.860 -8.561 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -10.444 8.712 -8.849 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -12.485 11.848 -8.394 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -12.604 12.179 -10.139 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -13.442 10.773 -9.442 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -10.893 9.216 -6.462 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.000 10.554 -7.224 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.750 10.704 -6.932 1.00 0.00 H new ATOM 1118 N ASN A 72 -12.703 10.905 -12.790 1.00 0.00 N ATOM 1119 CA ASN A 72 -12.986 11.907 -13.857 1.00 0.00 C ATOM 1120 C ASN A 72 -11.833 11.914 -14.864 1.00 0.00 C ATOM 1121 O ASN A 72 -11.504 12.930 -15.444 1.00 0.00 O ATOM 1122 CB ASN A 72 -13.156 13.295 -13.233 1.00 0.00 C ATOM 1123 CG ASN A 72 -14.187 13.220 -12.103 1.00 0.00 C ATOM 1124 OD1 ASN A 72 -14.191 14.044 -11.213 1.00 0.00 O ATOM 1125 ND2 ASN A 72 -15.070 12.256 -12.101 1.00 0.00 N ATOM 0 H ASN A 72 -13.417 10.186 -12.677 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.909 11.642 -14.373 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.201 13.652 -12.846 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -13.480 14.009 -13.990 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -15.760 12.198 -11.352 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -15.069 11.562 -12.848 1.00 0.00 H new ATOM 1132 N GLY A 73 -11.228 10.778 -15.091 1.00 0.00 N ATOM 1133 CA GLY A 73 -10.112 10.705 -16.076 1.00 0.00 C ATOM 1134 C GLY A 73 -8.903 11.467 -15.543 1.00 0.00 C ATOM 1135 O GLY A 73 -8.078 11.934 -16.301 1.00 0.00 O ATOM 0 H GLY A 73 -11.460 9.896 -14.635 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.845 9.664 -16.261 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -10.428 11.127 -17.030 1.00 0.00 H new ATOM 1139 N ARG A 74 -8.787 11.601 -14.243 1.00 0.00 N ATOM 1140 CA ARG A 74 -7.628 12.342 -13.655 1.00 0.00 C ATOM 1141 C ARG A 74 -6.983 11.496 -12.537 1.00 0.00 C ATOM 1142 O ARG A 74 -7.479 11.460 -11.429 1.00 0.00 O ATOM 1143 CB ARG A 74 -8.119 13.669 -13.066 1.00 0.00 C ATOM 1144 CG ARG A 74 -6.916 14.597 -12.856 1.00 0.00 C ATOM 1145 CD ARG A 74 -7.339 15.818 -12.042 1.00 0.00 C ATOM 1146 NE ARG A 74 -7.686 15.387 -10.658 1.00 0.00 N ATOM 1147 CZ ARG A 74 -8.238 16.230 -9.829 1.00 0.00 C ATOM 1148 NH1 ARG A 74 -8.507 17.446 -10.214 1.00 0.00 N ATOM 1149 NH2 ARG A 74 -8.525 15.850 -8.614 1.00 0.00 N ATOM 0 H ARG A 74 -9.448 11.227 -13.562 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.891 12.535 -14.434 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.841 14.134 -13.737 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.630 13.495 -12.119 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.119 14.063 -12.339 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -6.516 14.912 -13.820 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -6.532 16.550 -12.016 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -8.195 16.303 -12.510 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.492 14.432 -10.358 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.286 17.740 -11.165 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -8.939 18.103 -9.564 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.318 14.897 -8.315 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -8.957 16.506 -7.963 1.00 0.00 H new ATOM 1163 N PRO A 75 -5.885 10.818 -12.816 1.00 0.00 N ATOM 1164 CA PRO A 75 -5.189 9.974 -11.799 1.00 0.00 C ATOM 1165 C PRO A 75 -5.013 10.708 -10.465 1.00 0.00 C ATOM 1166 O PRO A 75 -4.063 11.439 -10.274 1.00 0.00 O ATOM 1167 CB PRO A 75 -3.825 9.677 -12.443 1.00 0.00 C ATOM 1168 CG PRO A 75 -4.067 9.755 -13.915 1.00 0.00 C ATOM 1169 CD PRO A 75 -5.188 10.780 -14.117 1.00 0.00 C ATOM 0 HA PRO A 75 -5.756 9.075 -11.557 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -3.074 10.401 -12.128 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -3.459 8.692 -12.155 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -3.163 10.060 -14.441 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.355 8.782 -14.313 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.789 11.759 -14.383 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.861 10.481 -14.920 1.00 0.00 H new ATOM 1177 N THR A 76 -5.930 10.523 -9.549 1.00 0.00 N ATOM 1178 CA THR A 76 -5.839 11.210 -8.225 1.00 0.00 C ATOM 1179 C THR A 76 -5.589 10.180 -7.125 1.00 0.00 C ATOM 1180 O THR A 76 -5.207 10.529 -6.028 1.00 0.00 O ATOM 1181 CB THR A 76 -7.156 11.936 -7.943 1.00 0.00 C ATOM 1182 OG1 THR A 76 -7.521 12.703 -9.083 1.00 0.00 O ATOM 1183 CG2 THR A 76 -6.987 12.859 -6.735 1.00 0.00 C ATOM 0 H THR A 76 -6.745 9.920 -9.663 1.00 0.00 H new ATOM 0 HA THR A 76 -5.017 11.925 -8.245 1.00 0.00 H new ATOM 0 HB THR A 76 -7.936 11.206 -7.728 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.838 12.105 -9.792 1.00 0.00 H new ATOM 0 HG21 THR A 76 -7.927 13.375 -6.537 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.706 12.269 -5.863 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.208 13.592 -6.943 1.00 0.00 H new ATOM 1191 N ALA A 77 -5.800 8.911 -7.390 1.00 0.00 N ATOM 1192 CA ALA A 77 -5.567 7.895 -6.316 1.00 0.00 C ATOM 1193 C ALA A 77 -5.112 6.568 -6.917 1.00 0.00 C ATOM 1194 O ALA A 77 -5.348 6.276 -8.072 1.00 0.00 O ATOM 1195 CB ALA A 77 -6.865 7.684 -5.530 1.00 0.00 C ATOM 0 H ALA A 77 -6.117 8.541 -8.286 1.00 0.00 H new ATOM 0 HA ALA A 77 -4.784 8.260 -5.651 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.700 6.944 -4.746 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.175 8.627 -5.079 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.645 7.330 -6.204 1.00 0.00 H new ATOM 1201 N ILE A 78 -4.460 5.763 -6.117 1.00 0.00 N ATOM 1202 CA ILE A 78 -3.977 4.428 -6.592 1.00 0.00 C ATOM 1203 C ILE A 78 -4.332 3.379 -5.543 1.00 0.00 C ATOM 1204 O ILE A 78 -4.201 3.617 -4.359 1.00 0.00 O ATOM 1205 CB ILE A 78 -2.462 4.471 -6.783 1.00 0.00 C ATOM 1206 CG1 ILE A 78 -2.129 5.431 -7.924 1.00 0.00 C ATOM 1207 CG2 ILE A 78 -1.943 3.071 -7.125 1.00 0.00 C ATOM 1208 CD1 ILE A 78 -0.623 5.699 -7.947 1.00 0.00 C ATOM 0 H ILE A 78 -4.239 5.975 -5.144 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.448 4.177 -7.542 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.988 4.813 -5.863 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.447 5.005 -8.876 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.673 6.367 -7.796 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.862 3.107 -7.260 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.185 2.385 -6.313 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.413 2.724 -8.045 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.388 6.384 -8.762 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.318 6.143 -7.000 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.089 4.761 -8.096 1.00 0.00 H new ATOM 1220 N GLU A 79 -4.794 2.223 -5.959 1.00 0.00 N ATOM 1221 CA GLU A 79 -5.174 1.157 -4.975 1.00 0.00 C ATOM 1222 C GLU A 79 -4.292 -0.073 -5.180 1.00 0.00 C ATOM 1223 O GLU A 79 -3.896 -0.393 -6.284 1.00 0.00 O ATOM 1224 CB GLU A 79 -6.638 0.765 -5.198 1.00 0.00 C ATOM 1225 CG GLU A 79 -7.106 -0.146 -4.060 1.00 0.00 C ATOM 1226 CD GLU A 79 -7.235 0.676 -2.780 1.00 0.00 C ATOM 1227 OE1 GLU A 79 -7.137 1.888 -2.869 1.00 0.00 O ATOM 1228 OE2 GLU A 79 -7.430 0.083 -1.732 1.00 0.00 O ATOM 0 H GLU A 79 -4.925 1.971 -6.939 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.039 1.536 -3.962 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -7.261 1.658 -5.242 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -6.746 0.254 -6.154 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.064 -0.601 -4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.396 -0.960 -3.914 1.00 0.00 H new ATOM 1235 N ALA A 80 -3.997 -0.772 -4.116 1.00 0.00 N ATOM 1236 CA ALA A 80 -3.154 -1.997 -4.220 1.00 0.00 C ATOM 1237 C ALA A 80 -3.729 -3.065 -3.293 1.00 0.00 C ATOM 1238 O ALA A 80 -4.211 -2.762 -2.220 1.00 0.00 O ATOM 1239 CB ALA A 80 -1.723 -1.668 -3.793 1.00 0.00 C ATOM 0 H ALA A 80 -4.307 -0.544 -3.172 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.147 -2.360 -5.248 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.106 -2.563 -3.869 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.319 -0.892 -4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.723 -1.314 -2.762 1.00 0.00 H new ATOM 1245 N THR A 81 -3.687 -4.308 -3.701 1.00 0.00 N ATOM 1246 CA THR A 81 -4.238 -5.410 -2.851 1.00 0.00 C ATOM 1247 C THR A 81 -3.171 -6.484 -2.656 1.00 0.00 C ATOM 1248 O THR A 81 -2.558 -6.936 -3.602 1.00 0.00 O ATOM 1249 CB THR A 81 -5.457 -6.019 -3.541 1.00 0.00 C ATOM 1250 OG1 THR A 81 -6.402 -4.994 -3.816 1.00 0.00 O ATOM 1251 CG2 THR A 81 -6.090 -7.061 -2.621 1.00 0.00 C ATOM 0 H THR A 81 -3.292 -4.610 -4.592 1.00 0.00 H new ATOM 0 HA THR A 81 -4.531 -5.011 -1.880 1.00 0.00 H new ATOM 0 HB THR A 81 -5.152 -6.494 -4.474 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.185 -5.381 -4.260 1.00 0.00 H new ATOM 0 HG21 THR A 81 -6.961 -7.498 -3.111 1.00 0.00 H new ATOM 0 HG22 THR A 81 -5.364 -7.845 -2.405 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.398 -6.585 -1.690 1.00 0.00 H new ATOM 1259 N VAL A 82 -2.952 -6.899 -1.431 1.00 0.00 N ATOM 1260 CA VAL A 82 -1.926 -7.953 -1.151 1.00 0.00 C ATOM 1261 C VAL A 82 -2.620 -9.198 -0.600 1.00 0.00 C ATOM 1262 O VAL A 82 -3.411 -9.130 0.320 1.00 0.00 O ATOM 1263 CB VAL A 82 -0.925 -7.420 -0.121 1.00 0.00 C ATOM 1264 CG1 VAL A 82 -0.053 -8.567 0.407 1.00 0.00 C ATOM 1265 CG2 VAL A 82 -0.037 -6.369 -0.793 1.00 0.00 C ATOM 0 H VAL A 82 -3.443 -6.550 -0.608 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.398 -8.210 -2.069 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.464 -6.974 0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.655 -8.178 1.139 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.686 -9.318 0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.492 -9.020 -0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.680 -5.982 -0.069 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.498 -6.824 -1.626 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.656 -5.552 -1.163 1.00 0.00 H new ATOM 1275 N ILE A 83 -2.324 -10.339 -1.162 1.00 0.00 N ATOM 1276 CA ILE A 83 -2.954 -11.603 -0.687 1.00 0.00 C ATOM 1277 C ILE A 83 -2.043 -12.280 0.336 1.00 0.00 C ATOM 1278 O ILE A 83 -0.901 -12.587 0.058 1.00 0.00 O ATOM 1279 CB ILE A 83 -3.166 -12.530 -1.889 1.00 0.00 C ATOM 1280 CG1 ILE A 83 -4.307 -11.981 -2.753 1.00 0.00 C ATOM 1281 CG2 ILE A 83 -3.522 -13.940 -1.410 1.00 0.00 C ATOM 1282 CD1 ILE A 83 -3.926 -10.610 -3.320 1.00 0.00 C ATOM 0 H ILE A 83 -1.668 -10.450 -1.935 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.912 -11.386 -0.215 1.00 0.00 H new ATOM 0 HB ILE A 83 -2.247 -12.576 -2.474 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.522 -12.673 -3.567 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.216 -11.897 -2.158 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -3.671 -14.590 -2.272 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.711 -14.331 -0.796 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -4.438 -13.904 -0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.744 -10.229 -3.932 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.734 -9.918 -2.500 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.029 -10.706 -3.932 1.00 0.00 H new ATOM 1294 N LEU A 84 -2.548 -12.527 1.516 1.00 0.00 N ATOM 1295 CA LEU A 84 -1.733 -13.198 2.569 1.00 0.00 C ATOM 1296 C LEU A 84 -2.165 -14.655 2.685 1.00 0.00 C ATOM 1297 O LEU A 84 -3.252 -14.961 3.134 1.00 0.00 O ATOM 1298 CB LEU A 84 -1.952 -12.485 3.905 1.00 0.00 C ATOM 1299 CG LEU A 84 -1.724 -10.961 3.732 1.00 0.00 C ATOM 1300 CD1 LEU A 84 -3.059 -10.248 3.481 1.00 0.00 C ATOM 1301 CD2 LEU A 84 -1.076 -10.383 4.996 1.00 0.00 C ATOM 0 H LEU A 84 -3.499 -12.290 1.797 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.676 -13.155 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.964 -12.672 4.266 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.268 -12.881 4.655 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.066 -10.805 2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.884 -9.179 3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.518 -10.644 2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.725 -10.414 4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.919 -9.312 4.867 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.730 -10.553 5.851 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.117 -10.872 5.170 1.00 0.00 H new ATOM 1313 N ASN A 85 -1.321 -15.557 2.276 1.00 0.00 N ATOM 1314 CA ASN A 85 -1.664 -17.005 2.349 1.00 0.00 C ATOM 1315 C ASN A 85 -1.081 -17.594 3.633 1.00 0.00 C ATOM 1316 O ASN A 85 -1.243 -18.767 3.905 1.00 0.00 O ATOM 1317 CB ASN A 85 -1.051 -17.724 1.145 1.00 0.00 C ATOM 1318 CG ASN A 85 -1.738 -17.256 -0.141 1.00 0.00 C ATOM 1319 OD1 ASN A 85 -1.254 -17.509 -1.225 1.00 0.00 O ATOM 1320 ND2 ASN A 85 -2.847 -16.575 -0.065 1.00 0.00 N ATOM 0 H ASN A 85 -0.399 -15.353 1.890 1.00 0.00 H new ATOM 0 HA ASN A 85 -2.747 -17.130 2.344 1.00 0.00 H new ATOM 0 HB2 ASN A 85 0.018 -17.519 1.093 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -1.164 -18.802 1.257 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -3.308 -16.255 -0.917 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -3.254 -16.363 0.846 1.00 0.00 H new ATOM 1327 N SER A 86 -0.393 -16.795 4.420 1.00 0.00 N ATOM 1328 CA SER A 86 0.216 -17.320 5.688 1.00 0.00 C ATOM 1329 C SER A 86 -0.173 -16.419 6.870 1.00 0.00 C ATOM 1330 O SER A 86 -0.441 -15.244 6.715 1.00 0.00 O ATOM 1331 CB SER A 86 1.744 -17.361 5.526 1.00 0.00 C ATOM 1332 OG SER A 86 2.062 -17.533 4.152 1.00 0.00 O ATOM 0 H SER A 86 -0.228 -15.805 4.239 1.00 0.00 H new ATOM 0 HA SER A 86 -0.155 -18.325 5.888 1.00 0.00 H new ATOM 0 HB2 SER A 86 2.187 -16.439 5.902 1.00 0.00 H new ATOM 0 HB3 SER A 86 2.163 -18.178 6.114 1.00 0.00 H new ATOM 0 HG SER A 86 3.036 -17.558 4.042 1.00 0.00 H new ATOM 1338 N GLN A 87 -0.211 -16.980 8.048 1.00 0.00 N ATOM 1339 CA GLN A 87 -0.588 -16.193 9.259 1.00 0.00 C ATOM 1340 C GLN A 87 0.583 -15.299 9.718 1.00 0.00 C ATOM 1341 O GLN A 87 0.376 -14.170 10.119 1.00 0.00 O ATOM 1342 CB GLN A 87 -0.977 -17.183 10.382 1.00 0.00 C ATOM 1343 CG GLN A 87 -2.216 -16.685 11.133 1.00 0.00 C ATOM 1344 CD GLN A 87 -3.447 -16.859 10.244 1.00 0.00 C ATOM 1345 OE1 GLN A 87 -4.209 -15.933 10.056 1.00 0.00 O ATOM 1346 NE2 GLN A 87 -3.676 -18.016 9.683 1.00 0.00 N ATOM 0 H GLN A 87 0.005 -17.961 8.226 1.00 0.00 H new ATOM 0 HA GLN A 87 -1.430 -15.542 9.024 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -1.174 -18.166 9.955 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -0.145 -17.298 11.077 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -2.342 -17.242 12.061 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -2.094 -15.636 11.405 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -3.036 -18.795 9.840 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -4.495 -18.141 9.087 1.00 0.00 H new ATOM 1355 N PRO A 88 1.799 -15.790 9.676 1.00 0.00 N ATOM 1356 CA PRO A 88 2.990 -15.002 10.114 1.00 0.00 C ATOM 1357 C PRO A 88 3.082 -13.667 9.369 1.00 0.00 C ATOM 1358 O PRO A 88 3.573 -12.683 9.888 1.00 0.00 O ATOM 1359 CB PRO A 88 4.187 -15.911 9.771 1.00 0.00 C ATOM 1360 CG PRO A 88 3.618 -17.294 9.693 1.00 0.00 C ATOM 1361 CD PRO A 88 2.179 -17.132 9.207 1.00 0.00 C ATOM 0 HA PRO A 88 2.949 -14.743 11.172 1.00 0.00 H new ATOM 0 HB2 PRO A 88 4.645 -15.619 8.826 1.00 0.00 H new ATOM 0 HB3 PRO A 88 4.962 -15.846 10.534 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.194 -17.914 9.006 1.00 0.00 H new ATOM 0 HG3 PRO A 88 3.648 -17.783 10.666 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.112 -17.210 8.122 1.00 0.00 H new ATOM 0 HD3 PRO A 88 1.527 -17.900 9.623 1.00 0.00 H new ATOM 1369 N GLU A 89 2.610 -13.630 8.155 1.00 0.00 N ATOM 1370 CA GLU A 89 2.661 -12.369 7.365 1.00 0.00 C ATOM 1371 C GLU A 89 1.775 -11.311 8.026 1.00 0.00 C ATOM 1372 O GLU A 89 2.130 -10.152 8.107 1.00 0.00 O ATOM 1373 CB GLU A 89 2.150 -12.649 5.951 1.00 0.00 C ATOM 1374 CG GLU A 89 3.132 -13.557 5.207 1.00 0.00 C ATOM 1375 CD GLU A 89 4.439 -12.803 4.958 1.00 0.00 C ATOM 1376 OE1 GLU A 89 4.409 -11.584 4.976 1.00 0.00 O ATOM 1377 OE2 GLU A 89 5.449 -13.458 4.753 1.00 0.00 O ATOM 0 H GLU A 89 2.188 -14.424 7.673 1.00 0.00 H new ATOM 0 HA GLU A 89 3.687 -12.002 7.324 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.169 -13.122 5.997 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.027 -11.712 5.408 1.00 0.00 H new ATOM 0 HG2 GLU A 89 3.325 -14.457 5.791 1.00 0.00 H new ATOM 0 HG3 GLU A 89 2.700 -13.879 4.260 1.00 0.00 H new ATOM 1384 N TRP A 90 0.623 -11.698 8.501 1.00 0.00 N ATOM 1385 CA TRP A 90 -0.286 -10.716 9.157 1.00 0.00 C ATOM 1386 C TRP A 90 0.449 -10.034 10.316 1.00 0.00 C ATOM 1387 O TRP A 90 0.267 -8.860 10.574 1.00 0.00 O ATOM 1388 CB TRP A 90 -1.526 -11.456 9.682 1.00 0.00 C ATOM 1389 CG TRP A 90 -2.501 -11.668 8.567 1.00 0.00 C ATOM 1390 CD1 TRP A 90 -2.367 -12.574 7.572 1.00 0.00 C ATOM 1391 CD2 TRP A 90 -3.758 -10.975 8.324 1.00 0.00 C ATOM 1392 NE1 TRP A 90 -3.460 -12.473 6.725 1.00 0.00 N ATOM 1393 CE2 TRP A 90 -4.345 -11.499 7.149 1.00 0.00 C ATOM 1394 CE3 TRP A 90 -4.435 -9.945 9.001 1.00 0.00 C ATOM 1395 CZ2 TRP A 90 -5.566 -11.021 6.669 1.00 0.00 C ATOM 1396 CZ3 TRP A 90 -5.661 -9.463 8.520 1.00 0.00 C ATOM 1397 CH2 TRP A 90 -6.224 -9.998 7.354 1.00 0.00 C ATOM 0 H TRP A 90 0.271 -12.655 8.463 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.595 -9.956 8.439 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -1.234 -12.415 10.109 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -1.993 -10.880 10.481 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -1.544 -13.263 7.456 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -3.595 -13.046 5.892 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -4.008 -9.522 9.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -5.999 -11.440 5.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -6.174 -8.675 9.051 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -7.166 -9.619 6.986 1.00 0.00 H new ATOM 1408 N ASP A 91 1.271 -10.758 11.017 1.00 0.00 N ATOM 1409 CA ASP A 91 2.016 -10.154 12.156 1.00 0.00 C ATOM 1410 C ASP A 91 2.931 -9.042 11.636 1.00 0.00 C ATOM 1411 O ASP A 91 3.056 -7.993 12.239 1.00 0.00 O ATOM 1412 CB ASP A 91 2.857 -11.242 12.823 1.00 0.00 C ATOM 1413 CG ASP A 91 3.657 -10.641 13.980 1.00 0.00 C ATOM 1414 OD1 ASP A 91 3.613 -9.433 14.140 1.00 0.00 O ATOM 1415 OD2 ASP A 91 4.303 -11.401 14.681 1.00 0.00 O ATOM 0 H ASP A 91 1.461 -11.746 10.851 1.00 0.00 H new ATOM 0 HA ASP A 91 1.317 -9.732 12.878 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.211 -12.040 13.191 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.533 -11.690 12.095 1.00 0.00 H new ATOM 1420 N ARG A 92 3.577 -9.263 10.522 1.00 0.00 N ATOM 1421 CA ARG A 92 4.488 -8.222 9.959 1.00 0.00 C ATOM 1422 C ARG A 92 3.673 -6.987 9.571 1.00 0.00 C ATOM 1423 O ARG A 92 4.048 -5.866 9.849 1.00 0.00 O ATOM 1424 CB ARG A 92 5.177 -8.790 8.717 1.00 0.00 C ATOM 1425 CG ARG A 92 6.183 -7.774 8.174 1.00 0.00 C ATOM 1426 CD ARG A 92 6.912 -8.372 6.967 1.00 0.00 C ATOM 1427 NE ARG A 92 7.779 -9.498 7.418 1.00 0.00 N ATOM 1428 CZ ARG A 92 8.484 -10.177 6.552 1.00 0.00 C ATOM 1429 NH1 ARG A 92 8.434 -9.876 5.283 1.00 0.00 N ATOM 1430 NH2 ARG A 92 9.241 -11.159 6.958 1.00 0.00 N ATOM 0 H ARG A 92 3.513 -10.122 9.976 1.00 0.00 H new ATOM 0 HA ARG A 92 5.235 -7.941 10.702 1.00 0.00 H new ATOM 0 HB2 ARG A 92 5.685 -9.722 8.966 1.00 0.00 H new ATOM 0 HB3 ARG A 92 4.435 -9.025 7.954 1.00 0.00 H new ATOM 0 HG2 ARG A 92 5.670 -6.857 7.885 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.900 -7.506 8.950 1.00 0.00 H new ATOM 0 HD2 ARG A 92 6.190 -8.727 6.232 1.00 0.00 H new ATOM 0 HD3 ARG A 92 7.516 -7.608 6.478 1.00 0.00 H new ATOM 0 HE ARG A 92 7.822 -9.740 8.408 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.843 -9.108 4.964 1.00 0.00 H new ATOM 0 HH12 ARG A 92 8.986 -10.408 4.610 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.282 -11.395 7.949 1.00 0.00 H new ATOM 0 HH22 ARG A 92 9.792 -11.690 6.284 1.00 0.00 H new ATOM 1444 N PHE A 93 2.551 -7.189 8.934 1.00 0.00 N ATOM 1445 CA PHE A 93 1.694 -6.037 8.531 1.00 0.00 C ATOM 1446 C PHE A 93 1.163 -5.334 9.782 1.00 0.00 C ATOM 1447 O PHE A 93 1.122 -4.123 9.855 1.00 0.00 O ATOM 1448 CB PHE A 93 0.520 -6.560 7.685 1.00 0.00 C ATOM 1449 CG PHE A 93 0.941 -6.701 6.240 1.00 0.00 C ATOM 1450 CD1 PHE A 93 0.954 -5.573 5.415 1.00 0.00 C ATOM 1451 CD2 PHE A 93 1.309 -7.950 5.725 1.00 0.00 C ATOM 1452 CE1 PHE A 93 1.336 -5.689 4.075 1.00 0.00 C ATOM 1453 CE2 PHE A 93 1.691 -8.067 4.384 1.00 0.00 C ATOM 1454 CZ PHE A 93 1.705 -6.934 3.559 1.00 0.00 C ATOM 0 H PHE A 93 2.190 -8.107 8.674 1.00 0.00 H new ATOM 0 HA PHE A 93 2.277 -5.326 7.945 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.186 -7.523 8.070 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -0.325 -5.876 7.760 1.00 0.00 H new ATOM 0 HD1 PHE A 93 0.669 -4.610 5.813 1.00 0.00 H new ATOM 0 HD2 PHE A 93 1.298 -8.822 6.362 1.00 0.00 H new ATOM 0 HE1 PHE A 93 1.346 -4.816 3.439 1.00 0.00 H new ATOM 0 HE2 PHE A 93 1.975 -9.030 3.985 1.00 0.00 H new ATOM 0 HZ PHE A 93 2.001 -7.023 2.524 1.00 0.00 H new ATOM 1464 N MET A 94 0.746 -6.083 10.762 1.00 0.00 N ATOM 1465 CA MET A 94 0.210 -5.456 12.001 1.00 0.00 C ATOM 1466 C MET A 94 1.299 -4.608 12.659 1.00 0.00 C ATOM 1467 O MET A 94 1.069 -3.485 13.059 1.00 0.00 O ATOM 1468 CB MET A 94 -0.228 -6.562 12.962 1.00 0.00 C ATOM 1469 CG MET A 94 -0.820 -5.947 14.235 1.00 0.00 C ATOM 1470 SD MET A 94 0.524 -5.518 15.371 1.00 0.00 S ATOM 1471 CE MET A 94 -0.294 -6.002 16.910 1.00 0.00 C ATOM 0 H MET A 94 0.753 -7.103 10.759 1.00 0.00 H new ATOM 0 HA MET A 94 -0.640 -4.818 11.756 1.00 0.00 H new ATOM 0 HB2 MET A 94 -0.967 -7.202 12.480 1.00 0.00 H new ATOM 0 HB3 MET A 94 0.624 -7.193 13.215 1.00 0.00 H new ATOM 0 HG2 MET A 94 -1.401 -5.058 13.988 1.00 0.00 H new ATOM 0 HG3 MET A 94 -1.503 -6.652 14.710 1.00 0.00 H new ATOM 0 HE1 MET A 94 0.374 -5.816 17.751 1.00 0.00 H new ATOM 0 HE2 MET A 94 -1.207 -5.419 17.036 1.00 0.00 H new ATOM 0 HE3 MET A 94 -0.543 -7.062 16.872 1.00 0.00 H new ATOM 1481 N ARG A 95 2.486 -5.139 12.773 1.00 0.00 N ATOM 1482 CA ARG A 95 3.598 -4.368 13.400 1.00 0.00 C ATOM 1483 C ARG A 95 3.989 -3.209 12.480 1.00 0.00 C ATOM 1484 O ARG A 95 4.205 -2.096 12.920 1.00 0.00 O ATOM 1485 CB ARG A 95 4.798 -5.299 13.604 1.00 0.00 C ATOM 1486 CG ARG A 95 5.921 -4.545 14.320 1.00 0.00 C ATOM 1487 CD ARG A 95 7.079 -5.503 14.625 1.00 0.00 C ATOM 1488 NE ARG A 95 7.684 -5.976 13.344 1.00 0.00 N ATOM 1489 CZ ARG A 95 8.631 -6.879 13.354 1.00 0.00 C ATOM 1490 NH1 ARG A 95 9.063 -7.371 14.482 1.00 0.00 N ATOM 1491 NH2 ARG A 95 9.148 -7.286 12.227 1.00 0.00 N ATOM 0 H ARG A 95 2.735 -6.077 12.458 1.00 0.00 H new ATOM 0 HA ARG A 95 3.280 -3.970 14.364 1.00 0.00 H new ATOM 0 HB2 ARG A 95 4.500 -6.169 14.190 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.151 -5.669 12.641 1.00 0.00 H new ATOM 0 HG2 ARG A 95 6.272 -3.722 13.698 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.545 -4.108 15.245 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.832 -4.999 15.231 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.719 -6.353 15.205 1.00 0.00 H new ATOM 0 HE ARG A 95 7.357 -5.593 12.457 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.662 -7.052 15.364 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.801 -8.075 14.482 1.00 0.00 H new ATOM 0 HH21 ARG A 95 8.814 -6.900 11.344 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.886 -7.990 12.229 1.00 0.00 H new ATOM 1505 N PHE A 96 4.079 -3.466 11.204 1.00 0.00 N ATOM 1506 CA PHE A 96 4.451 -2.393 10.235 1.00 0.00 C ATOM 1507 C PHE A 96 3.391 -1.290 10.266 1.00 0.00 C ATOM 1508 O PHE A 96 3.700 -0.115 10.313 1.00 0.00 O ATOM 1509 CB PHE A 96 4.526 -3.006 8.836 1.00 0.00 C ATOM 1510 CG PHE A 96 4.827 -1.936 7.810 1.00 0.00 C ATOM 1511 CD1 PHE A 96 6.125 -1.423 7.689 1.00 0.00 C ATOM 1512 CD2 PHE A 96 3.808 -1.465 6.972 1.00 0.00 C ATOM 1513 CE1 PHE A 96 6.402 -0.441 6.730 1.00 0.00 C ATOM 1514 CE2 PHE A 96 4.087 -0.482 6.015 1.00 0.00 C ATOM 1515 CZ PHE A 96 5.382 0.029 5.893 1.00 0.00 C ATOM 0 H PHE A 96 3.909 -4.381 10.786 1.00 0.00 H new ATOM 0 HA PHE A 96 5.416 -1.962 10.500 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.299 -3.774 8.809 1.00 0.00 H new ATOM 0 HB3 PHE A 96 3.582 -3.496 8.595 1.00 0.00 H new ATOM 0 HD1 PHE A 96 6.911 -1.785 8.335 1.00 0.00 H new ATOM 0 HD2 PHE A 96 2.807 -1.860 7.064 1.00 0.00 H new ATOM 0 HE1 PHE A 96 7.403 -0.046 6.636 1.00 0.00 H new ATOM 0 HE2 PHE A 96 3.301 -0.118 5.370 1.00 0.00 H new ATOM 0 HZ PHE A 96 5.596 0.786 5.153 1.00 0.00 H new ATOM 1525 N MET A 97 2.142 -1.662 10.238 1.00 0.00 N ATOM 1526 CA MET A 97 1.050 -0.648 10.265 1.00 0.00 C ATOM 1527 C MET A 97 1.090 0.114 11.591 1.00 0.00 C ATOM 1528 O MET A 97 0.883 1.310 11.638 1.00 0.00 O ATOM 1529 CB MET A 97 -0.296 -1.362 10.126 1.00 0.00 C ATOM 1530 CG MET A 97 -1.426 -0.330 10.087 1.00 0.00 C ATOM 1531 SD MET A 97 -3.003 -1.181 9.819 1.00 0.00 S ATOM 1532 CE MET A 97 -3.066 -2.076 11.394 1.00 0.00 C ATOM 0 H MET A 97 1.828 -2.632 10.197 1.00 0.00 H new ATOM 0 HA MET A 97 1.181 0.056 9.443 1.00 0.00 H new ATOM 0 HB2 MET A 97 -0.308 -1.963 9.217 1.00 0.00 H new ATOM 0 HB3 MET A 97 -0.444 -2.046 10.962 1.00 0.00 H new ATOM 0 HG2 MET A 97 -1.456 0.230 11.022 1.00 0.00 H new ATOM 0 HG3 MET A 97 -1.248 0.391 9.289 1.00 0.00 H new ATOM 0 HE1 MET A 97 -4.103 -2.301 11.643 1.00 0.00 H new ATOM 0 HE2 MET A 97 -2.503 -3.006 11.307 1.00 0.00 H new ATOM 0 HE3 MET A 97 -2.630 -1.460 12.180 1.00 0.00 H new ATOM 1542 N GLU A 98 1.343 -0.571 12.675 1.00 0.00 N ATOM 1543 CA GLU A 98 1.384 0.116 13.995 1.00 0.00 C ATOM 1544 C GLU A 98 2.552 1.107 14.024 1.00 0.00 C ATOM 1545 O GLU A 98 2.393 2.256 14.377 1.00 0.00 O ATOM 1546 CB GLU A 98 1.575 -0.923 15.102 1.00 0.00 C ATOM 1547 CG GLU A 98 1.515 -0.232 16.466 1.00 0.00 C ATOM 1548 CD GLU A 98 1.642 -1.274 17.579 1.00 0.00 C ATOM 1549 OE1 GLU A 98 1.984 -2.404 17.271 1.00 0.00 O ATOM 1550 OE2 GLU A 98 1.396 -0.923 18.722 1.00 0.00 O ATOM 0 H GLU A 98 1.522 -1.575 12.701 1.00 0.00 H new ATOM 0 HA GLU A 98 0.449 0.653 14.152 1.00 0.00 H new ATOM 0 HB2 GLU A 98 0.801 -1.688 15.035 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.533 -1.428 14.980 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.317 0.501 16.548 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.575 0.311 16.568 1.00 0.00 H new ATOM 1557 N ARG A 99 3.724 0.671 13.651 1.00 0.00 N ATOM 1558 CA ARG A 99 4.896 1.591 13.659 1.00 0.00 C ATOM 1559 C ARG A 99 4.687 2.685 12.610 1.00 0.00 C ATOM 1560 O ARG A 99 4.960 3.846 12.840 1.00 0.00 O ATOM 1561 CB ARG A 99 6.166 0.802 13.321 1.00 0.00 C ATOM 1562 CG ARG A 99 6.531 -0.118 14.488 1.00 0.00 C ATOM 1563 CD ARG A 99 7.816 -0.885 14.157 1.00 0.00 C ATOM 1564 NE ARG A 99 7.557 -1.830 13.032 1.00 0.00 N ATOM 1565 CZ ARG A 99 8.516 -2.590 12.574 1.00 0.00 C ATOM 1566 NH1 ARG A 99 9.707 -2.540 13.107 1.00 0.00 N ATOM 1567 NH2 ARG A 99 8.282 -3.407 11.583 1.00 0.00 N ATOM 0 H ARG A 99 3.920 -0.281 13.342 1.00 0.00 H new ATOM 0 HA ARG A 99 4.998 2.043 14.646 1.00 0.00 H new ATOM 0 HB2 ARG A 99 6.010 0.213 12.417 1.00 0.00 H new ATOM 0 HB3 ARG A 99 6.988 1.488 13.116 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.669 0.468 15.397 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.718 -0.818 14.681 1.00 0.00 H new ATOM 0 HD2 ARG A 99 8.608 -0.188 13.885 1.00 0.00 H new ATOM 0 HD3 ARG A 99 8.161 -1.433 15.034 1.00 0.00 H new ATOM 0 HE ARG A 99 6.626 -1.883 12.618 1.00 0.00 H new ATOM 0 HH11 ARG A 99 9.892 -1.906 13.884 1.00 0.00 H new ATOM 0 HH12 ARG A 99 10.453 -3.135 12.746 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.352 -3.451 11.167 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.030 -4.001 11.224 1.00 0.00 H new ATOM 1581 N TYR A 100 4.204 2.317 11.455 1.00 0.00 N ATOM 1582 CA TYR A 100 3.973 3.321 10.381 1.00 0.00 C ATOM 1583 C TYR A 100 2.909 4.318 10.843 1.00 0.00 C ATOM 1584 O TYR A 100 3.014 5.507 10.617 1.00 0.00 O ATOM 1585 CB TYR A 100 3.495 2.607 9.119 1.00 0.00 C ATOM 1586 CG TYR A 100 3.372 3.606 7.996 1.00 0.00 C ATOM 1587 CD1 TYR A 100 4.524 4.050 7.336 1.00 0.00 C ATOM 1588 CD2 TYR A 100 2.116 4.091 7.614 1.00 0.00 C ATOM 1589 CE1 TYR A 100 4.419 4.978 6.295 1.00 0.00 C ATOM 1590 CE2 TYR A 100 2.012 5.020 6.573 1.00 0.00 C ATOM 1591 CZ TYR A 100 3.165 5.464 5.914 1.00 0.00 C ATOM 1592 OH TYR A 100 3.065 6.382 4.888 1.00 0.00 O ATOM 0 H TYR A 100 3.958 1.358 11.209 1.00 0.00 H new ATOM 0 HA TYR A 100 4.900 3.854 10.167 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.197 1.820 8.845 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.533 2.127 9.301 1.00 0.00 H new ATOM 0 HD1 TYR A 100 5.493 3.676 7.631 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.227 3.748 8.123 1.00 0.00 H new ATOM 0 HE1 TYR A 100 5.308 5.319 5.785 1.00 0.00 H new ATOM 0 HE2 TYR A 100 1.043 5.394 6.278 1.00 0.00 H new ATOM 0 HH TYR A 100 3.106 7.289 5.256 1.00 0.00 H new ATOM 1602 N GLY A 101 1.877 3.838 11.479 1.00 0.00 N ATOM 1603 CA GLY A 101 0.797 4.749 11.949 1.00 0.00 C ATOM 1604 C GLY A 101 1.379 5.749 12.944 1.00 0.00 C ATOM 1605 O GLY A 101 1.000 6.902 12.976 1.00 0.00 O ATOM 0 H GLY A 101 1.735 2.851 11.694 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.355 5.275 11.103 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -0.001 4.174 12.418 1.00 0.00 H new ATOM 1609 N ALA A 102 2.301 5.316 13.755 1.00 0.00 N ATOM 1610 CA ALA A 102 2.917 6.236 14.750 1.00 0.00 C ATOM 1611 C ALA A 102 3.677 7.344 14.020 1.00 0.00 C ATOM 1612 O ALA A 102 3.654 8.494 14.414 1.00 0.00 O ATOM 1613 CB ALA A 102 3.891 5.439 15.613 1.00 0.00 C ATOM 0 H ALA A 102 2.656 4.360 13.772 1.00 0.00 H new ATOM 0 HA ALA A 102 2.142 6.682 15.373 1.00 0.00 H new ATOM 0 HB1 ALA A 102 4.351 6.100 16.348 1.00 0.00 H new ATOM 0 HB2 ALA A 102 3.353 4.643 16.128 1.00 0.00 H new ATOM 0 HB3 ALA A 102 4.665 5.004 14.981 1.00 0.00 H new ATOM 1619 N GLU A 103 4.359 7.004 12.963 1.00 0.00 N ATOM 1620 CA GLU A 103 5.132 8.026 12.207 1.00 0.00 C ATOM 1621 C GLU A 103 4.169 8.969 11.484 1.00 0.00 C ATOM 1622 O GLU A 103 4.420 10.153 11.369 1.00 0.00 O ATOM 1623 CB GLU A 103 6.017 7.321 11.181 1.00 0.00 C ATOM 1624 CG GLU A 103 7.030 6.419 11.892 1.00 0.00 C ATOM 1625 CD GLU A 103 7.977 7.270 12.739 1.00 0.00 C ATOM 1626 OE1 GLU A 103 8.070 8.456 12.473 1.00 0.00 O ATOM 1627 OE2 GLU A 103 8.593 6.720 13.637 1.00 0.00 O ATOM 0 H GLU A 103 4.414 6.057 12.589 1.00 0.00 H new ATOM 0 HA GLU A 103 5.749 8.602 12.896 1.00 0.00 H new ATOM 0 HB2 GLU A 103 5.402 6.728 10.505 1.00 0.00 H new ATOM 0 HB3 GLU A 103 6.540 8.059 10.572 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.509 5.700 12.524 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.598 5.847 11.159 1.00 0.00 H new ATOM 1634 N ASN A 104 3.073 8.448 10.982 1.00 0.00 N ATOM 1635 CA ASN A 104 2.084 9.300 10.241 1.00 0.00 C ATOM 1636 C ASN A 104 0.762 9.350 11.009 1.00 0.00 C ATOM 1637 O ASN A 104 0.736 9.432 12.222 1.00 0.00 O ATOM 1638 CB ASN A 104 1.832 8.688 8.860 1.00 0.00 C ATOM 1639 CG ASN A 104 3.161 8.532 8.117 1.00 0.00 C ATOM 1640 OD1 ASN A 104 3.261 7.754 7.192 1.00 0.00 O ATOM 1641 ND2 ASN A 104 4.194 9.237 8.489 1.00 0.00 N ATOM 0 H ASN A 104 2.819 7.463 11.054 1.00 0.00 H new ATOM 0 HA ASN A 104 2.483 10.309 10.140 1.00 0.00 H new ATOM 0 HB2 ASN A 104 1.346 7.718 8.964 1.00 0.00 H new ATOM 0 HB3 ASN A 104 1.156 9.323 8.287 1.00 0.00 H new ATOM 0 HD21 ASN A 104 5.084 9.133 8.002 1.00 0.00 H new ATOM 0 HD22 ASN A 104 4.111 9.892 9.267 1.00 0.00 H new ATOM 1648 N GLY A 105 -0.337 9.303 10.305 1.00 0.00 N ATOM 1649 CA GLY A 105 -1.665 9.351 10.978 1.00 0.00 C ATOM 1650 C GLY A 105 -2.711 8.712 10.063 1.00 0.00 C ATOM 1651 O GLY A 105 -3.804 9.215 9.912 1.00 0.00 O ATOM 0 H GLY A 105 -0.371 9.233 9.288 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.624 8.822 11.930 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.938 10.383 11.199 1.00 0.00 H new ATOM 1655 N LEU A 106 -2.379 7.598 9.464 1.00 0.00 N ATOM 1656 CA LEU A 106 -3.329 6.894 8.557 1.00 0.00 C ATOM 1657 C LEU A 106 -4.117 7.894 7.709 1.00 0.00 C ATOM 1658 O LEU A 106 -5.162 8.380 8.098 1.00 0.00 O ATOM 1659 CB LEU A 106 -4.280 6.037 9.396 1.00 0.00 C ATOM 1660 CG LEU A 106 -3.558 4.759 9.864 1.00 0.00 C ATOM 1661 CD1 LEU A 106 -3.297 3.804 8.680 1.00 0.00 C ATOM 1662 CD2 LEU A 106 -2.227 5.129 10.526 1.00 0.00 C ATOM 0 H LEU A 106 -1.474 7.140 9.568 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.766 6.255 7.877 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.630 6.604 10.259 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.160 5.774 8.809 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.199 4.250 10.583 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.786 2.910 9.039 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.246 3.521 8.225 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.674 4.305 7.939 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -1.720 4.222 10.855 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -1.598 5.656 9.809 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -2.415 5.772 11.386 1.00 0.00 H new ATOM 1674 N GLY A 107 -3.621 8.189 6.539 1.00 0.00 N ATOM 1675 CA GLY A 107 -4.327 9.137 5.636 1.00 0.00 C ATOM 1676 C GLY A 107 -3.977 10.580 5.997 1.00 0.00 C ATOM 1677 O GLY A 107 -3.069 10.839 6.763 1.00 0.00 O ATOM 0 H GLY A 107 -2.750 7.810 6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -4.050 8.937 4.601 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -5.404 8.988 5.712 1.00 0.00 H new ATOM 1681 N PHE A 108 -4.689 11.525 5.439 1.00 0.00 N ATOM 1682 CA PHE A 108 -4.402 12.958 5.733 1.00 0.00 C ATOM 1683 C PHE A 108 -5.221 13.402 6.946 1.00 0.00 C ATOM 1684 O PHE A 108 -6.319 13.912 6.817 1.00 0.00 O ATOM 1685 CB PHE A 108 -4.783 13.796 4.511 1.00 0.00 C ATOM 1686 CG PHE A 108 -4.418 15.239 4.755 1.00 0.00 C ATOM 1687 CD1 PHE A 108 -3.085 15.647 4.648 1.00 0.00 C ATOM 1688 CD2 PHE A 108 -5.412 16.170 5.086 1.00 0.00 C ATOM 1689 CE1 PHE A 108 -2.740 16.984 4.876 1.00 0.00 C ATOM 1690 CE2 PHE A 108 -5.069 17.508 5.314 1.00 0.00 C ATOM 1691 CZ PHE A 108 -3.733 17.916 5.208 1.00 0.00 C ATOM 0 H PHE A 108 -5.459 11.364 4.790 1.00 0.00 H new ATOM 0 HA PHE A 108 -3.343 13.092 5.953 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -4.266 13.424 3.626 1.00 0.00 H new ATOM 0 HB3 PHE A 108 -5.852 13.708 4.316 1.00 0.00 H new ATOM 0 HD1 PHE A 108 -2.321 14.929 4.389 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -6.442 15.855 5.165 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -1.710 17.297 4.796 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -5.834 18.225 5.572 1.00 0.00 H new ATOM 0 HZ PHE A 108 -3.468 18.948 5.382 1.00 0.00 H new ATOM 1701 N SER A 109 -4.693 13.204 8.122 1.00 0.00 N ATOM 1702 CA SER A 109 -5.423 13.599 9.359 1.00 0.00 C ATOM 1703 C SER A 109 -6.737 12.826 9.456 1.00 0.00 C ATOM 1704 O SER A 109 -7.438 12.925 10.441 1.00 0.00 O ATOM 1705 CB SER A 109 -5.712 15.103 9.333 1.00 0.00 C ATOM 1706 OG SER A 109 -4.590 15.786 8.795 1.00 0.00 O ATOM 0 H SER A 109 -3.778 12.781 8.280 1.00 0.00 H new ATOM 0 HA SER A 109 -4.805 13.366 10.226 1.00 0.00 H new ATOM 0 HB2 SER A 109 -6.598 15.305 8.731 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.922 15.462 10.340 1.00 0.00 H new ATOM 0 HG SER A 109 -4.772 16.749 8.775 1.00 0.00 H new ATOM 1712 N LYS A 110 -7.067 12.052 8.443 1.00 0.00 N ATOM 1713 CA LYS A 110 -8.336 11.254 8.443 1.00 0.00 C ATOM 1714 C LYS A 110 -9.447 12.010 9.180 1.00 0.00 C ATOM 1715 O LYS A 110 -10.325 11.424 9.782 1.00 0.00 O ATOM 1716 CB LYS A 110 -8.097 9.888 9.103 1.00 0.00 C ATOM 1717 CG LYS A 110 -7.507 10.072 10.502 1.00 0.00 C ATOM 1718 CD LYS A 110 -7.484 8.725 11.223 1.00 0.00 C ATOM 1719 CE LYS A 110 -6.966 8.922 12.647 1.00 0.00 C ATOM 1720 NZ LYS A 110 -5.534 9.332 12.602 1.00 0.00 N ATOM 0 H LYS A 110 -6.499 11.940 7.603 1.00 0.00 H new ATOM 0 HA LYS A 110 -8.650 11.100 7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -9.036 9.337 9.166 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -7.419 9.294 8.490 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.498 10.477 10.433 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.101 10.790 11.068 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.485 8.294 11.244 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.846 8.023 10.686 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.557 9.682 13.159 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.073 7.998 13.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.980 8.731 13.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.173 9.226 11.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -5.448 10.326 12.897 1.00 0.00 H new ATOM 1734 N SER A 111 -9.400 13.317 9.142 1.00 0.00 N ATOM 1735 CA SER A 111 -10.433 14.137 9.839 1.00 0.00 C ATOM 1736 C SER A 111 -11.599 14.405 8.885 1.00 0.00 C ATOM 1737 O SER A 111 -12.625 14.926 9.276 1.00 0.00 O ATOM 1738 CB SER A 111 -9.807 15.462 10.269 1.00 0.00 C ATOM 1739 OG SER A 111 -9.547 16.253 9.117 1.00 0.00 O ATOM 0 H SER A 111 -8.684 13.854 8.654 1.00 0.00 H new ATOM 0 HA SER A 111 -10.802 13.603 10.715 1.00 0.00 H new ATOM 0 HB2 SER A 111 -10.478 15.992 10.945 1.00 0.00 H new ATOM 0 HB3 SER A 111 -8.882 15.280 10.816 1.00 0.00 H new ATOM 0 HG SER A 111 -9.147 17.105 9.389 1.00 0.00 H new ATOM 1745 N GLU A 112 -11.442 14.058 7.631 1.00 0.00 N ATOM 1746 CA GLU A 112 -12.528 14.285 6.624 1.00 0.00 C ATOM 1747 C GLU A 112 -12.759 12.991 5.846 1.00 0.00 C ATOM 1748 O GLU A 112 -13.842 12.722 5.371 1.00 0.00 O ATOM 1749 CB GLU A 112 -12.097 15.397 5.660 1.00 0.00 C ATOM 1750 CG GLU A 112 -10.817 14.981 4.931 1.00 0.00 C ATOM 1751 CD GLU A 112 -10.339 16.131 4.042 1.00 0.00 C ATOM 1752 OE1 GLU A 112 -9.875 17.120 4.586 1.00 0.00 O ATOM 1753 OE2 GLU A 112 -10.445 16.001 2.834 1.00 0.00 O ATOM 0 H GLU A 112 -10.599 13.622 7.257 1.00 0.00 H new ATOM 0 HA GLU A 112 -13.449 14.580 7.126 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.890 15.594 4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.929 16.323 6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -10.043 14.720 5.653 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -11.002 14.093 4.327 1.00 0.00 H new ATOM 1760 N LEU A 113 -11.740 12.193 5.712 1.00 0.00 N ATOM 1761 CA LEU A 113 -11.883 10.916 4.965 1.00 0.00 C ATOM 1762 C LEU A 113 -12.867 10.008 5.708 1.00 0.00 C ATOM 1763 O LEU A 113 -13.686 9.338 5.110 1.00 0.00 O ATOM 1764 CB LEU A 113 -10.513 10.240 4.883 1.00 0.00 C ATOM 1765 CG LEU A 113 -9.572 11.084 4.006 1.00 0.00 C ATOM 1766 CD1 LEU A 113 -8.142 10.535 4.108 1.00 0.00 C ATOM 1767 CD2 LEU A 113 -10.038 11.062 2.533 1.00 0.00 C ATOM 0 H LEU A 113 -10.809 12.371 6.090 1.00 0.00 H new ATOM 0 HA LEU A 113 -12.259 11.105 3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -10.092 10.127 5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -10.615 9.238 4.465 1.00 0.00 H new ATOM 0 HG LEU A 113 -9.592 12.114 4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -7.477 11.134 3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -7.808 10.580 5.145 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -8.124 9.500 3.766 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -9.360 11.664 1.928 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -10.037 10.036 2.166 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -11.046 11.471 2.464 1.00 0.00 H new ATOM 1779 N GLU A 114 -12.779 9.969 7.008 1.00 0.00 N ATOM 1780 CA GLU A 114 -13.689 9.096 7.802 1.00 0.00 C ATOM 1781 C GLU A 114 -15.087 9.713 7.892 1.00 0.00 C ATOM 1782 O GLU A 114 -15.244 10.909 8.037 1.00 0.00 O ATOM 1783 CB GLU A 114 -13.106 8.929 9.205 1.00 0.00 C ATOM 1784 CG GLU A 114 -11.781 8.168 9.119 1.00 0.00 C ATOM 1785 CD GLU A 114 -12.036 6.739 8.634 1.00 0.00 C ATOM 1786 OE1 GLU A 114 -13.166 6.295 8.737 1.00 0.00 O ATOM 1787 OE2 GLU A 114 -11.098 6.117 8.164 1.00 0.00 O ATOM 0 H GLU A 114 -12.111 10.508 7.559 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.776 8.126 7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.948 9.905 9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.808 8.388 9.840 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.102 8.678 8.436 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -11.297 8.150 10.096 1.00 0.00 H new ATOM 1794 N HIS A 115 -16.107 8.897 7.800 1.00 0.00 N ATOM 1795 CA HIS A 115 -17.506 9.416 7.870 1.00 0.00 C ATOM 1796 C HIS A 115 -17.968 9.507 9.330 1.00 0.00 C ATOM 1797 O HIS A 115 -17.710 8.634 10.135 1.00 0.00 O ATOM 1798 CB HIS A 115 -18.426 8.472 7.097 1.00 0.00 C ATOM 1799 CG HIS A 115 -18.056 8.500 5.641 1.00 0.00 C ATOM 1800 ND1 HIS A 115 -18.356 9.578 4.824 1.00 0.00 N ATOM 1801 CD2 HIS A 115 -17.405 7.594 4.840 1.00 0.00 C ATOM 1802 CE1 HIS A 115 -17.891 9.299 3.594 1.00 0.00 C ATOM 1803 NE2 HIS A 115 -17.301 8.102 3.547 1.00 0.00 N ATOM 0 H HIS A 115 -16.029 7.887 7.679 1.00 0.00 H new ATOM 0 HA HIS A 115 -17.543 10.413 7.431 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -18.337 7.458 7.487 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -19.466 8.773 7.226 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -17.031 6.634 5.163 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -17.983 9.962 2.747 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -16.868 7.656 2.739 1.00 0.00 H new ATOM 1811 N HIS A 116 -18.658 10.568 9.669 1.00 0.00 N ATOM 1812 CA HIS A 116 -19.154 10.752 11.065 1.00 0.00 C ATOM 1813 C HIS A 116 -18.057 10.375 12.065 1.00 0.00 C ATOM 1814 O HIS A 116 -18.025 9.280 12.591 1.00 0.00 O ATOM 1815 CB HIS A 116 -20.398 9.886 11.286 1.00 0.00 C ATOM 1816 CG HIS A 116 -20.941 10.128 12.667 1.00 0.00 C ATOM 1817 ND1 HIS A 116 -20.833 9.188 13.678 1.00 0.00 N ATOM 1818 CD2 HIS A 116 -21.600 11.200 13.219 1.00 0.00 C ATOM 1819 CE1 HIS A 116 -21.411 9.706 14.777 1.00 0.00 C ATOM 1820 NE2 HIS A 116 -21.895 10.930 14.552 1.00 0.00 N ATOM 0 H HIS A 116 -18.901 11.323 9.028 1.00 0.00 H new ATOM 0 HA HIS A 116 -19.419 11.798 11.219 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -21.156 10.123 10.539 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -20.147 8.833 11.162 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -21.851 12.112 12.698 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -21.476 9.194 15.726 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -22.377 11.537 15.215 1.00 0.00 H new ATOM 1828 N HIS A 117 -17.149 11.282 12.321 1.00 0.00 N ATOM 1829 CA HIS A 117 -16.036 10.995 13.274 1.00 0.00 C ATOM 1830 C HIS A 117 -16.435 11.404 14.697 1.00 0.00 C ATOM 1831 O HIS A 117 -16.906 12.500 14.934 1.00 0.00 O ATOM 1832 CB HIS A 117 -14.797 11.777 12.842 1.00 0.00 C ATOM 1833 CG HIS A 117 -13.629 11.360 13.691 1.00 0.00 C ATOM 1834 ND1 HIS A 117 -13.338 11.971 14.899 1.00 0.00 N ATOM 1835 CD2 HIS A 117 -12.674 10.389 13.521 1.00 0.00 C ATOM 1836 CE1 HIS A 117 -12.249 11.366 15.407 1.00 0.00 C ATOM 1837 NE2 HIS A 117 -11.803 10.393 14.607 1.00 0.00 N ATOM 0 H HIS A 117 -17.131 12.214 11.908 1.00 0.00 H new ATOM 0 HA HIS A 117 -15.822 9.926 13.266 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -14.582 11.590 11.790 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -14.973 12.848 12.946 1.00 0.00 H new ATOM 0 HD1 HIS A 117 -13.855 12.740 15.326 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -12.608 9.723 12.673 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -11.791 11.634 16.347 1.00 0.00 H new ATOM 1845 N HIS A 118 -16.249 10.519 15.637 1.00 0.00 N ATOM 1846 CA HIS A 118 -16.613 10.820 17.052 1.00 0.00 C ATOM 1847 C HIS A 118 -15.623 11.820 17.657 1.00 0.00 C ATOM 1848 O HIS A 118 -14.446 11.801 17.359 1.00 0.00 O ATOM 1849 CB HIS A 118 -16.587 9.518 17.855 1.00 0.00 C ATOM 1850 CG HIS A 118 -15.192 8.948 17.868 1.00 0.00 C ATOM 1851 ND1 HIS A 118 -14.731 8.093 16.877 1.00 0.00 N ATOM 1852 CD2 HIS A 118 -14.150 9.088 18.755 1.00 0.00 C ATOM 1853 CE1 HIS A 118 -13.466 7.756 17.188 1.00 0.00 C ATOM 1854 NE2 HIS A 118 -13.063 8.335 18.323 1.00 0.00 N ATOM 0 H HIS A 118 -15.856 9.590 15.484 1.00 0.00 H new ATOM 0 HA HIS A 118 -17.610 11.259 17.084 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -16.922 9.704 18.875 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -17.279 8.798 17.418 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -14.172 9.691 19.651 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -12.851 7.097 16.593 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -12.153 8.244 18.776 1.00 0.00 H new ATOM 1862 N HIS A 119 -16.103 12.701 18.504 1.00 0.00 N ATOM 1863 CA HIS A 119 -15.208 13.723 19.136 1.00 0.00 C ATOM 1864 C HIS A 119 -14.930 13.352 20.595 1.00 0.00 C ATOM 1865 O HIS A 119 -15.833 13.122 21.376 1.00 0.00 O ATOM 1866 CB HIS A 119 -15.897 15.086 19.075 1.00 0.00 C ATOM 1867 CG HIS A 119 -16.071 15.485 17.637 1.00 0.00 C ATOM 1868 ND1 HIS A 119 -15.004 15.881 16.846 1.00 0.00 N ATOM 1869 CD2 HIS A 119 -17.181 15.547 16.829 1.00 0.00 C ATOM 1870 CE1 HIS A 119 -15.488 16.165 15.622 1.00 0.00 C ATOM 1871 NE2 HIS A 119 -16.808 15.978 15.557 1.00 0.00 N ATOM 0 H HIS A 119 -17.082 12.756 18.786 1.00 0.00 H new ATOM 0 HA HIS A 119 -14.260 13.759 18.599 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -16.866 15.040 19.572 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -15.303 15.832 19.603 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -18.187 15.300 17.133 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -14.882 16.503 14.794 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -17.414 16.120 14.749 1.00 0.00 H new ATOM 1879 N HIS A 120 -13.676 13.304 20.961 1.00 0.00 N ATOM 1880 CA HIS A 120 -13.295 12.959 22.364 1.00 0.00 C ATOM 1881 C HIS A 120 -14.157 11.803 22.882 1.00 0.00 C ATOM 1882 O HIS A 120 -15.125 12.076 23.571 1.00 0.00 O ATOM 1883 CB HIS A 120 -13.481 14.185 23.259 1.00 0.00 C ATOM 1884 CG HIS A 120 -13.133 13.823 24.675 1.00 0.00 C ATOM 1885 ND1 HIS A 120 -11.827 13.593 25.078 1.00 0.00 N ATOM 1886 CD2 HIS A 120 -13.908 13.649 25.793 1.00 0.00 C ATOM 1887 CE1 HIS A 120 -11.856 13.293 26.390 1.00 0.00 C ATOM 1888 NE2 HIS A 120 -13.100 13.315 26.876 1.00 0.00 N ATOM 1889 OXT HIS A 120 -13.828 10.667 22.587 1.00 0.00 O ATOM 0 H HIS A 120 -12.889 13.492 20.340 1.00 0.00 H new ATOM 0 HA HIS A 120 -12.250 12.650 22.381 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -12.847 15.001 22.914 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -14.511 14.537 23.204 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -14.982 13.755 25.828 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -10.980 13.063 26.978 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -13.394 13.127 27.834 1.00 0.00 H new TER 1897 HIS A 120