USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 984 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 105 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 71 HIS : no HD1:sc= -5.58! C(o=-5.6!,f=-5!) USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 44 ASN : amide:sc= -0.372 K(o=-0.37,f=-3.6!) USER MOD Set 3.2: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 12 SER OG : rot 109:sc= -0.22 USER MOD Set 4.2: A 61 SER OG : rot -31:sc= -0.163 USER MOD Set 5.1: A 3 SER OG : rot -150:sc= 0 USER MOD Set 5.2: A 51 GLN : amide:sc= -1.06 K(o=-1.1,f=-1.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 117:sc= 0.337 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= -0.38 USER MOD Single : A 17 ASN : amide:sc= -2.26! K(o=-2.3!,f=-1.4) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.3) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 30:sc=-0.00952 USER MOD Single : A 26 SER OG : rot 180:sc= 0.76 USER MOD Single : A 30 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.0456) USER MOD Single : A 36 MET CE :methyl 141:sc= -0.795 (180deg=-2.9!) USER MOD Single : A 48 SER OG : rot 180:sc= 0.00921 USER MOD Single : A 50 SER OG : rot 180:sc= -0.304 USER MOD Single : A 57 SER OG : rot 180:sc= -0.313 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.0215 X(o=-0.022,f=-0.15) USER MOD Single : A 70 GLN : amide:sc= -0.0504 K(o=-0.05,f=-1.6) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HE2:sc= -0.302 X(o=-0.3,f=-0.0093) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 160:sc= -1.18 USER MOD Single : A 80 ASN : amide:sc= -2.05 X(o=-2.1,f=-2.5!) USER MOD Single : A 82 MET CE :methyl -179:sc= 0 (180deg=-0.0016) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.0515 K(o=-0.052,f=-2.6!) USER MOD Single : A 89 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-0.44) USER MOD Single : A 91 ASN : amide:sc= -0.0142 K(o=-0.014,f=-0.86) USER MOD Single : A 92 MET CE :methyl -150:sc= -2.44 (180deg=-4.02!) USER MOD Single : A 94 GLN : amide:sc= -1.86 K(o=-1.9,f=-1.3) USER MOD Single : A 98 MET CE :methyl 140:sc= -0.666 (180deg=-3!) USER MOD Single : A 104 ASN : amide:sc= 0.933 K(o=0.93,f=-0.19) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -1.41 X(o=-1.4,f=-1.6) USER MOD Single : A 112 CYS SG : rot 78:sc= 0.598 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 GLN : amide:sc= -0.0114 X(o=-0.011,f=0) USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.828 -9.665 -3.848 1.00 0.00 N ATOM 2 CA GLY A 1 17.179 -8.416 -4.209 1.00 0.00 C ATOM 3 C GLY A 1 15.819 -8.287 -3.521 1.00 0.00 C ATOM 4 O GLY A 1 14.782 -8.289 -4.182 1.00 0.00 O ATOM 0 H1 GLY A 1 18.749 -9.729 -4.327 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.971 -9.697 -2.818 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.230 -10.464 -4.140 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.815 -7.577 -3.927 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.050 -8.368 -5.290 1.00 0.00 H new ATOM 8 N SER A 2 15.867 -8.177 -2.201 1.00 0.00 N ATOM 9 CA SER A 2 14.651 -8.047 -1.416 1.00 0.00 C ATOM 10 C SER A 2 14.632 -6.695 -0.701 1.00 0.00 C ATOM 11 O SER A 2 15.254 -6.534 0.348 1.00 0.00 O ATOM 12 CB SER A 2 14.526 -9.186 -0.401 1.00 0.00 C ATOM 13 OG SER A 2 13.497 -8.940 0.553 1.00 0.00 O ATOM 0 H SER A 2 16.729 -8.175 -1.656 1.00 0.00 H new ATOM 0 HA SER A 2 13.799 -8.105 -2.093 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.318 -10.118 -0.926 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.476 -9.317 0.116 1.00 0.00 H new ATOM 0 HG SER A 2 13.448 -9.690 1.182 1.00 0.00 H new ATOM 19 N SER A 3 13.911 -5.756 -1.297 1.00 0.00 N ATOM 20 CA SER A 3 13.803 -4.423 -0.730 1.00 0.00 C ATOM 21 C SER A 3 12.594 -4.348 0.204 1.00 0.00 C ATOM 22 O SER A 3 11.564 -3.778 -0.152 1.00 0.00 O ATOM 23 CB SER A 3 13.691 -3.365 -1.830 1.00 0.00 C ATOM 24 OG SER A 3 14.670 -3.547 -2.849 1.00 0.00 O ATOM 0 H SER A 3 13.396 -5.893 -2.167 1.00 0.00 H new ATOM 0 HA SER A 3 14.708 -4.220 -0.158 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.696 -3.406 -2.272 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.804 -2.373 -1.392 1.00 0.00 H new ATOM 0 HG SER A 3 14.900 -2.679 -3.241 1.00 0.00 H new ATOM 30 N GLY A 4 12.760 -4.931 1.382 1.00 0.00 N ATOM 31 CA GLY A 4 11.695 -4.938 2.370 1.00 0.00 C ATOM 32 C GLY A 4 10.598 -5.933 1.988 1.00 0.00 C ATOM 33 O GLY A 4 10.866 -7.120 1.809 1.00 0.00 O ATOM 0 H GLY A 4 13.616 -5.402 1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.102 -5.198 3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.269 -3.938 2.458 1.00 0.00 H new ATOM 37 N SER A 5 9.385 -5.413 1.873 1.00 0.00 N ATOM 38 CA SER A 5 8.246 -6.241 1.514 1.00 0.00 C ATOM 39 C SER A 5 7.877 -7.157 2.683 1.00 0.00 C ATOM 40 O SER A 5 8.676 -7.997 3.094 1.00 0.00 O ATOM 41 CB SER A 5 8.540 -7.070 0.263 1.00 0.00 C ATOM 42 OG SER A 5 7.346 -7.470 -0.405 1.00 0.00 O ATOM 0 H SER A 5 9.166 -4.428 2.022 1.00 0.00 H new ATOM 0 HA SER A 5 7.403 -5.586 1.293 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.160 -6.489 -0.420 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.114 -7.954 0.541 1.00 0.00 H new ATOM 0 HG SER A 5 7.322 -7.071 -1.300 1.00 0.00 H new ATOM 48 N SER A 6 6.666 -6.964 3.185 1.00 0.00 N ATOM 49 CA SER A 6 6.181 -7.763 4.298 1.00 0.00 C ATOM 50 C SER A 6 4.652 -7.818 4.276 1.00 0.00 C ATOM 51 O SER A 6 3.991 -7.102 5.027 1.00 0.00 O ATOM 52 CB SER A 6 6.673 -7.202 5.634 1.00 0.00 C ATOM 53 OG SER A 6 6.926 -8.232 6.585 1.00 0.00 O ATOM 0 H SER A 6 6.006 -6.266 2.842 1.00 0.00 H new ATOM 0 HA SER A 6 6.576 -8.773 4.191 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.584 -6.627 5.472 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.929 -6.514 6.034 1.00 0.00 H new ATOM 0 HG SER A 6 7.240 -7.833 7.423 1.00 0.00 H new ATOM 59 N GLY A 7 4.135 -8.674 3.407 1.00 0.00 N ATOM 60 CA GLY A 7 2.697 -8.831 3.278 1.00 0.00 C ATOM 61 C GLY A 7 2.150 -7.962 2.143 1.00 0.00 C ATOM 62 O GLY A 7 2.803 -7.012 1.714 1.00 0.00 O ATOM 0 H GLY A 7 4.686 -9.266 2.786 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.457 -9.877 3.088 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.212 -8.558 4.215 1.00 0.00 H new ATOM 66 N PRO A 8 0.925 -8.327 1.678 1.00 0.00 N ATOM 67 CA PRO A 8 0.283 -7.591 0.603 1.00 0.00 C ATOM 68 C PRO A 8 -0.268 -6.255 1.105 1.00 0.00 C ATOM 69 O PRO A 8 -0.293 -6.003 2.308 1.00 0.00 O ATOM 70 CB PRO A 8 -0.800 -8.522 0.081 1.00 0.00 C ATOM 71 CG PRO A 8 -1.031 -9.548 1.178 1.00 0.00 C ATOM 72 CD PRO A 8 0.122 -9.446 2.163 1.00 0.00 C ATOM 0 HA PRO A 8 0.976 -7.321 -0.194 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.715 -7.972 -0.139 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.488 -9.004 -0.845 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.980 -9.362 1.681 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.085 -10.552 0.756 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.237 -9.266 3.176 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.703 -10.368 2.190 1.00 0.00 H new ATOM 80 N VAL A 9 -0.696 -5.435 0.157 1.00 0.00 N ATOM 81 CA VAL A 9 -1.245 -4.131 0.488 1.00 0.00 C ATOM 82 C VAL A 9 -2.272 -3.730 -0.573 1.00 0.00 C ATOM 83 O VAL A 9 -2.070 -3.975 -1.762 1.00 0.00 O ATOM 84 CB VAL A 9 -0.115 -3.111 0.641 1.00 0.00 C ATOM 85 CG1 VAL A 9 -0.673 -1.694 0.794 1.00 0.00 C ATOM 86 CG2 VAL A 9 0.794 -3.473 1.816 1.00 0.00 C ATOM 0 H VAL A 9 -0.674 -5.648 -0.840 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.764 -4.168 1.446 1.00 0.00 H new ATOM 0 HB VAL A 9 0.486 -3.137 -0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.151 -0.988 0.901 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.259 -1.437 -0.088 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.309 -1.647 1.678 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.589 -2.732 1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.210 -3.488 2.736 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.232 -4.457 1.648 1.00 0.00 H new ATOM 96 N ASP A 10 -3.352 -3.122 -0.106 1.00 0.00 N ATOM 97 CA ASP A 10 -4.411 -2.685 -1.000 1.00 0.00 C ATOM 98 C ASP A 10 -3.929 -1.476 -1.803 1.00 0.00 C ATOM 99 O ASP A 10 -4.124 -1.413 -3.016 1.00 0.00 O ATOM 100 CB ASP A 10 -5.656 -2.265 -0.215 1.00 0.00 C ATOM 101 CG ASP A 10 -6.718 -3.355 -0.056 1.00 0.00 C ATOM 102 OD1 ASP A 10 -6.908 -4.110 -1.034 1.00 0.00 O ATOM 103 OD2 ASP A 10 -7.315 -3.409 1.041 1.00 0.00 O ATOM 0 H ASP A 10 -3.517 -2.921 0.880 1.00 0.00 H new ATOM 0 HA ASP A 10 -4.662 -3.518 -1.657 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.347 -1.932 0.776 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.109 -1.407 -0.713 1.00 0.00 H new ATOM 108 N CYS A 11 -3.308 -0.544 -1.094 1.00 0.00 N ATOM 109 CA CYS A 11 -2.796 0.660 -1.725 1.00 0.00 C ATOM 110 C CYS A 11 -1.556 1.117 -0.954 1.00 0.00 C ATOM 111 O CYS A 11 -1.670 1.665 0.142 1.00 0.00 O ATOM 112 CB CYS A 11 -3.860 1.757 -1.798 1.00 0.00 C ATOM 113 SG CYS A 11 -3.391 3.002 -3.055 1.00 0.00 S ATOM 0 H CYS A 11 -3.148 -0.599 -0.088 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.521 0.443 -2.757 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.827 1.321 -2.049 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.969 2.235 -0.824 1.00 0.00 H new ATOM 0 HG CYS A 11 -4.302 3.927 -3.110 1.00 0.00 H new ATOM 119 N SER A 12 -0.401 0.876 -1.556 1.00 0.00 N ATOM 120 CA SER A 12 0.858 1.257 -0.939 1.00 0.00 C ATOM 121 C SER A 12 1.199 2.705 -1.295 1.00 0.00 C ATOM 122 O SER A 12 0.989 3.136 -2.428 1.00 0.00 O ATOM 123 CB SER A 12 1.989 0.323 -1.375 1.00 0.00 C ATOM 124 OG SER A 12 2.030 -0.868 -0.594 1.00 0.00 O ATOM 0 H SER A 12 -0.310 0.422 -2.465 1.00 0.00 H new ATOM 0 HA SER A 12 0.748 1.172 0.142 1.00 0.00 H new ATOM 0 HB2 SER A 12 1.860 0.063 -2.426 1.00 0.00 H new ATOM 0 HB3 SER A 12 2.942 0.845 -1.291 1.00 0.00 H new ATOM 0 HG SER A 12 1.728 -1.626 -1.137 1.00 0.00 H new ATOM 130 N VAL A 13 1.717 3.418 -0.305 1.00 0.00 N ATOM 131 CA VAL A 13 2.089 4.809 -0.499 1.00 0.00 C ATOM 132 C VAL A 13 3.598 4.902 -0.729 1.00 0.00 C ATOM 133 O VAL A 13 4.386 4.494 0.123 1.00 0.00 O ATOM 134 CB VAL A 13 1.612 5.648 0.688 1.00 0.00 C ATOM 135 CG1 VAL A 13 2.096 7.095 0.566 1.00 0.00 C ATOM 136 CG2 VAL A 13 0.089 5.589 0.825 1.00 0.00 C ATOM 0 H VAL A 13 1.888 3.058 0.634 1.00 0.00 H new ATOM 0 HA VAL A 13 1.600 5.215 -1.385 1.00 0.00 H new ATOM 0 HB VAL A 13 2.046 5.224 1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.743 7.670 1.422 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.186 7.113 0.541 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.704 7.534 -0.352 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.223 6.194 1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.373 5.975 -0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.223 4.556 0.980 1.00 0.00 H new ATOM 146 N ILE A 14 3.956 5.441 -1.885 1.00 0.00 N ATOM 147 CA ILE A 14 5.358 5.593 -2.238 1.00 0.00 C ATOM 148 C ILE A 14 5.797 7.031 -1.956 1.00 0.00 C ATOM 149 O ILE A 14 5.282 7.971 -2.559 1.00 0.00 O ATOM 150 CB ILE A 14 5.598 5.149 -3.683 1.00 0.00 C ATOM 151 CG1 ILE A 14 4.674 3.988 -4.060 1.00 0.00 C ATOM 152 CG2 ILE A 14 7.071 4.808 -3.914 1.00 0.00 C ATOM 153 CD1 ILE A 14 5.104 2.697 -3.361 1.00 0.00 C ATOM 0 H ILE A 14 3.300 5.778 -2.589 1.00 0.00 H new ATOM 0 HA ILE A 14 5.979 4.943 -1.622 1.00 0.00 H new ATOM 0 HB ILE A 14 5.354 5.982 -4.342 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.648 4.231 -3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.688 3.843 -5.140 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.214 4.496 -4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 14 7.684 5.687 -3.712 1.00 0.00 H new ATOM 0 HG23 ILE A 14 7.366 3.999 -3.246 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.431 1.888 -3.646 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.122 2.444 -3.658 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.065 2.838 -2.281 1.00 0.00 H new ATOM 165 N VAL A 15 6.746 7.157 -1.040 1.00 0.00 N ATOM 166 CA VAL A 15 7.260 8.465 -0.670 1.00 0.00 C ATOM 167 C VAL A 15 8.776 8.488 -0.877 1.00 0.00 C ATOM 168 O VAL A 15 9.525 7.941 -0.069 1.00 0.00 O ATOM 169 CB VAL A 15 6.847 8.804 0.763 1.00 0.00 C ATOM 170 CG1 VAL A 15 6.779 7.544 1.627 1.00 0.00 C ATOM 171 CG2 VAL A 15 7.793 9.839 1.376 1.00 0.00 C ATOM 0 H VAL A 15 7.172 6.375 -0.543 1.00 0.00 H new ATOM 0 HA VAL A 15 6.832 9.238 -1.308 1.00 0.00 H new ATOM 0 HB VAL A 15 5.849 9.241 0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 15 6.483 7.814 2.641 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.047 6.854 1.207 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.758 7.065 1.650 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.477 10.062 2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.808 9.441 1.390 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.769 10.752 0.780 1.00 0.00 H new ATOM 181 N VAL A 16 9.184 9.129 -1.963 1.00 0.00 N ATOM 182 CA VAL A 16 10.597 9.231 -2.286 1.00 0.00 C ATOM 183 C VAL A 16 11.191 10.448 -1.575 1.00 0.00 C ATOM 184 O VAL A 16 11.694 11.365 -2.222 1.00 0.00 O ATOM 185 CB VAL A 16 10.785 9.273 -3.803 1.00 0.00 C ATOM 186 CG1 VAL A 16 10.364 7.950 -4.446 1.00 0.00 C ATOM 187 CG2 VAL A 16 10.022 10.449 -4.418 1.00 0.00 C ATOM 0 H VAL A 16 8.560 9.583 -2.630 1.00 0.00 H new ATOM 0 HA VAL A 16 11.135 8.352 -1.930 1.00 0.00 H new ATOM 0 HB VAL A 16 11.846 9.420 -4.004 1.00 0.00 H new ATOM 0 HG11 VAL A 16 10.508 8.008 -5.525 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.971 7.140 -4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.313 7.759 -4.230 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.173 10.456 -5.498 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.959 10.347 -4.201 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.391 11.383 -3.994 1.00 0.00 H new ATOM 197 N ASN A 17 11.113 10.418 -0.252 1.00 0.00 N ATOM 198 CA ASN A 17 11.637 11.508 0.553 1.00 0.00 C ATOM 199 C ASN A 17 11.247 11.288 2.016 1.00 0.00 C ATOM 200 O ASN A 17 10.609 10.290 2.349 1.00 0.00 O ATOM 201 CB ASN A 17 11.058 12.851 0.106 1.00 0.00 C ATOM 202 CG ASN A 17 12.105 13.679 -0.642 1.00 0.00 C ATOM 203 OD1 ASN A 17 13.102 14.113 -0.088 1.00 0.00 O ATOM 204 ND2 ASN A 17 11.825 13.871 -1.927 1.00 0.00 N ATOM 0 H ASN A 17 10.695 9.656 0.282 1.00 0.00 H new ATOM 0 HA ASN A 17 12.720 11.525 0.433 1.00 0.00 H new ATOM 0 HB2 ASN A 17 10.195 12.682 -0.538 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.704 13.406 0.975 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.463 14.410 -2.513 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.972 13.479 -2.327 1.00 0.00 H new ATOM 211 N LYS A 18 11.648 12.236 2.851 1.00 0.00 N ATOM 212 CA LYS A 18 11.348 12.158 4.270 1.00 0.00 C ATOM 213 C LYS A 18 10.387 13.288 4.647 1.00 0.00 C ATOM 214 O LYS A 18 9.434 13.074 5.395 1.00 0.00 O ATOM 215 CB LYS A 18 12.639 12.151 5.091 1.00 0.00 C ATOM 216 CG LYS A 18 12.339 12.271 6.587 1.00 0.00 C ATOM 217 CD LYS A 18 12.664 10.966 7.317 1.00 0.00 C ATOM 218 CE LYS A 18 14.167 10.683 7.292 1.00 0.00 C ATOM 219 NZ LYS A 18 14.633 10.236 8.623 1.00 0.00 N ATOM 0 H LYS A 18 12.178 13.062 2.572 1.00 0.00 H new ATOM 0 HA LYS A 18 10.844 11.219 4.501 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.191 11.230 4.900 1.00 0.00 H new ATOM 0 HB3 LYS A 18 13.278 12.976 4.777 1.00 0.00 H new ATOM 0 HG2 LYS A 18 12.923 13.086 7.014 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.288 12.521 6.732 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.319 11.027 8.349 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.127 10.140 6.850 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.386 9.918 6.548 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.707 11.582 6.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.655 10.048 8.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.441 10.979 9.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.131 9.366 8.893 1.00 0.00 H new ATOM 233 N GLN A 19 10.670 14.466 4.111 1.00 0.00 N ATOM 234 CA GLN A 19 9.843 15.630 4.382 1.00 0.00 C ATOM 235 C GLN A 19 8.361 15.265 4.272 1.00 0.00 C ATOM 236 O GLN A 19 7.561 15.642 5.126 1.00 0.00 O ATOM 237 CB GLN A 19 10.195 16.783 3.440 1.00 0.00 C ATOM 238 CG GLN A 19 10.421 18.079 4.221 1.00 0.00 C ATOM 239 CD GLN A 19 11.693 17.995 5.066 1.00 0.00 C ATOM 240 OE1 GLN A 19 12.489 17.079 4.947 1.00 0.00 O ATOM 241 NE2 GLN A 19 11.840 19.001 5.925 1.00 0.00 N ATOM 0 H GLN A 19 11.461 14.640 3.490 1.00 0.00 H new ATOM 0 HA GLN A 19 10.040 15.963 5.401 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.093 16.534 2.874 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.392 16.925 2.717 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.495 18.917 3.528 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.564 18.273 4.866 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.135 19.737 5.974 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.657 19.036 6.534 1.00 0.00 H new ATOM 250 N THR A 20 8.042 14.534 3.214 1.00 0.00 N ATOM 251 CA THR A 20 6.670 14.114 2.981 1.00 0.00 C ATOM 252 C THR A 20 6.378 12.812 3.729 1.00 0.00 C ATOM 253 O THR A 20 5.852 11.863 3.148 1.00 0.00 O ATOM 254 CB THR A 20 6.458 14.008 1.470 1.00 0.00 C ATOM 255 OG1 THR A 20 7.705 13.526 0.977 1.00 0.00 O ATOM 256 CG2 THR A 20 6.298 15.376 0.803 1.00 0.00 C ATOM 0 H THR A 20 8.709 14.222 2.509 1.00 0.00 H new ATOM 0 HA THR A 20 5.961 14.843 3.372 1.00 0.00 H new ATOM 0 HB THR A 20 5.575 13.401 1.270 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.655 13.426 0.003 1.00 0.00 H new ATOM 0 HG21 THR A 20 6.150 15.243 -0.269 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.435 15.889 1.227 1.00 0.00 H new ATOM 0 HG23 THR A 20 7.195 15.972 0.975 1.00 0.00 H new ATOM 264 N LYS A 21 6.731 12.808 5.006 1.00 0.00 N ATOM 265 CA LYS A 21 6.513 11.637 5.839 1.00 0.00 C ATOM 266 C LYS A 21 5.103 11.693 6.429 1.00 0.00 C ATOM 267 O LYS A 21 4.322 10.756 6.270 1.00 0.00 O ATOM 268 CB LYS A 21 7.616 11.516 6.892 1.00 0.00 C ATOM 269 CG LYS A 21 7.126 10.734 8.112 1.00 0.00 C ATOM 270 CD LYS A 21 8.239 9.852 8.681 1.00 0.00 C ATOM 271 CE LYS A 21 7.669 8.789 9.623 1.00 0.00 C ATOM 272 NZ LYS A 21 8.669 8.414 10.648 1.00 0.00 N ATOM 0 H LYS A 21 7.166 13.597 5.484 1.00 0.00 H new ATOM 0 HA LYS A 21 6.574 10.727 5.242 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.483 11.017 6.460 1.00 0.00 H new ATOM 0 HB3 LYS A 21 7.941 12.510 7.199 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.779 11.428 8.878 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.273 10.115 7.833 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.778 9.369 7.866 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.959 10.470 9.217 1.00 0.00 H new ATOM 0 HE2 LYS A 21 6.769 9.168 10.107 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.377 7.908 9.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.266 7.692 11.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.517 8.032 10.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.928 9.254 11.204 1.00 0.00 H new ATOM 286 N ASP A 22 4.819 12.800 7.099 1.00 0.00 N ATOM 287 CA ASP A 22 3.517 12.990 7.714 1.00 0.00 C ATOM 288 C ASP A 22 2.447 13.059 6.622 1.00 0.00 C ATOM 289 O ASP A 22 1.442 12.353 6.688 1.00 0.00 O ATOM 290 CB ASP A 22 3.467 14.298 8.507 1.00 0.00 C ATOM 291 CG ASP A 22 3.918 15.540 7.735 1.00 0.00 C ATOM 292 OD1 ASP A 22 5.142 15.791 7.730 1.00 0.00 O ATOM 293 OD2 ASP A 22 3.027 16.209 7.168 1.00 0.00 O ATOM 0 H ASP A 22 5.469 13.575 7.229 1.00 0.00 H new ATOM 0 HA ASP A 22 3.338 12.152 8.388 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.446 14.456 8.855 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.093 14.192 9.393 1.00 0.00 H new ATOM 298 N TYR A 23 2.700 13.916 5.644 1.00 0.00 N ATOM 299 CA TYR A 23 1.771 14.086 4.540 1.00 0.00 C ATOM 300 C TYR A 23 1.415 12.738 3.910 1.00 0.00 C ATOM 301 O TYR A 23 0.243 12.370 3.841 1.00 0.00 O ATOM 302 CB TYR A 23 2.500 14.943 3.503 1.00 0.00 C ATOM 303 CG TYR A 23 1.803 15.001 2.142 1.00 0.00 C ATOM 304 CD1 TYR A 23 2.007 13.995 1.220 1.00 0.00 C ATOM 305 CD2 TYR A 23 0.972 16.059 1.837 1.00 0.00 C ATOM 306 CE1 TYR A 23 1.351 14.049 -0.061 1.00 0.00 C ATOM 307 CE2 TYR A 23 0.316 16.114 0.556 1.00 0.00 C ATOM 308 CZ TYR A 23 0.538 15.106 -0.330 1.00 0.00 C ATOM 309 OH TYR A 23 -0.081 15.158 -1.540 1.00 0.00 O ATOM 0 H TYR A 23 3.535 14.500 5.593 1.00 0.00 H new ATOM 0 HA TYR A 23 0.845 14.545 4.886 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.602 15.956 3.891 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.508 14.551 3.367 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.658 13.167 1.459 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.813 16.846 2.559 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.501 13.268 -0.792 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -0.337 16.937 0.305 1.00 0.00 H new ATOM 0 HH TYR A 23 -0.242 14.247 -1.864 1.00 0.00 H new ATOM 319 N ALA A 24 2.449 12.037 3.466 1.00 0.00 N ATOM 320 CA ALA A 24 2.260 10.738 2.844 1.00 0.00 C ATOM 321 C ALA A 24 1.559 9.802 3.830 1.00 0.00 C ATOM 322 O ALA A 24 0.697 9.015 3.439 1.00 0.00 O ATOM 323 CB ALA A 24 3.613 10.191 2.383 1.00 0.00 C ATOM 0 H ALA A 24 3.420 12.345 3.525 1.00 0.00 H new ATOM 0 HA ALA A 24 1.625 10.824 1.962 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.471 9.216 1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.056 10.878 1.662 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.276 10.089 3.242 1.00 0.00 H new ATOM 329 N GLU A 25 1.954 9.918 5.089 1.00 0.00 N ATOM 330 CA GLU A 25 1.373 9.092 6.135 1.00 0.00 C ATOM 331 C GLU A 25 -0.126 9.370 6.260 1.00 0.00 C ATOM 332 O GLU A 25 -0.849 8.616 6.910 1.00 0.00 O ATOM 333 CB GLU A 25 2.086 9.316 7.470 1.00 0.00 C ATOM 334 CG GLU A 25 3.153 8.246 7.708 1.00 0.00 C ATOM 335 CD GLU A 25 3.268 7.908 9.196 1.00 0.00 C ATOM 336 OE1 GLU A 25 2.282 7.354 9.730 1.00 0.00 O ATOM 337 OE2 GLU A 25 4.338 8.211 9.766 1.00 0.00 O ATOM 0 H GLU A 25 2.669 10.571 5.409 1.00 0.00 H new ATOM 0 HA GLU A 25 1.506 8.046 5.861 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.548 10.303 7.479 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.359 9.297 8.282 1.00 0.00 H new ATOM 0 HG2 GLU A 25 2.903 7.347 7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.115 8.598 7.336 1.00 0.00 H new ATOM 344 N SER A 26 -0.549 10.454 5.627 1.00 0.00 N ATOM 345 CA SER A 26 -1.949 10.841 5.660 1.00 0.00 C ATOM 346 C SER A 26 -2.703 10.176 4.506 1.00 0.00 C ATOM 347 O SER A 26 -3.565 9.328 4.731 1.00 0.00 O ATOM 348 CB SER A 26 -2.102 12.362 5.587 1.00 0.00 C ATOM 349 OG SER A 26 -3.385 12.791 6.036 1.00 0.00 O ATOM 0 H SER A 26 0.053 11.077 5.088 1.00 0.00 H new ATOM 0 HA SER A 26 -2.375 10.505 6.606 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.329 12.834 6.194 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.948 12.693 4.560 1.00 0.00 H new ATOM 0 HG SER A 26 -3.443 13.767 5.976 1.00 0.00 H new ATOM 355 N VAL A 27 -2.350 10.586 3.297 1.00 0.00 N ATOM 356 CA VAL A 27 -2.983 10.041 2.108 1.00 0.00 C ATOM 357 C VAL A 27 -3.120 8.524 2.258 1.00 0.00 C ATOM 358 O VAL A 27 -4.055 7.926 1.728 1.00 0.00 O ATOM 359 CB VAL A 27 -2.194 10.449 0.862 1.00 0.00 C ATOM 360 CG1 VAL A 27 -1.174 9.374 0.482 1.00 0.00 C ATOM 361 CG2 VAL A 27 -3.134 10.751 -0.307 1.00 0.00 C ATOM 0 H VAL A 27 -1.634 11.289 3.115 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.987 10.448 1.989 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.646 11.362 1.096 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.627 9.689 -0.407 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.475 9.228 1.306 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.692 8.437 0.276 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.548 11.038 -1.180 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.721 9.863 -0.540 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.803 11.567 -0.034 1.00 0.00 H new ATOM 371 N GLY A 28 -2.174 7.946 2.984 1.00 0.00 N ATOM 372 CA GLY A 28 -2.177 6.511 3.211 1.00 0.00 C ATOM 373 C GLY A 28 -3.356 6.098 4.094 1.00 0.00 C ATOM 374 O GLY A 28 -4.022 5.100 3.820 1.00 0.00 O ATOM 0 H GLY A 28 -1.400 8.446 3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.233 5.988 2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.242 6.212 3.684 1.00 0.00 H new ATOM 378 N ARG A 29 -3.579 6.887 5.135 1.00 0.00 N ATOM 379 CA ARG A 29 -4.667 6.616 6.059 1.00 0.00 C ATOM 380 C ARG A 29 -6.016 6.850 5.376 1.00 0.00 C ATOM 381 O ARG A 29 -6.946 6.064 5.546 1.00 0.00 O ATOM 382 CB ARG A 29 -4.570 7.506 7.300 1.00 0.00 C ATOM 383 CG ARG A 29 -5.435 8.759 7.145 1.00 0.00 C ATOM 384 CD ARG A 29 -5.337 9.650 8.385 1.00 0.00 C ATOM 385 NE ARG A 29 -4.505 10.838 8.090 1.00 0.00 N ATOM 386 CZ ARG A 29 -4.222 11.796 8.983 1.00 0.00 C ATOM 387 NH1 ARG A 29 -4.701 11.712 10.231 1.00 0.00 N ATOM 388 NH2 ARG A 29 -3.459 12.839 8.627 1.00 0.00 N ATOM 0 H ARG A 29 -3.025 7.714 5.359 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.588 5.573 6.366 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.889 6.946 8.179 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.532 7.794 7.465 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.117 9.318 6.265 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.473 8.470 6.981 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.333 9.962 8.698 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.904 9.089 9.213 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.124 10.933 7.149 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.282 10.918 10.502 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.485 12.442 10.910 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.094 12.903 7.677 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.243 13.569 9.306 1.00 0.00 H new ATOM 402 N LYS A 30 -6.078 7.935 4.618 1.00 0.00 N ATOM 403 CA LYS A 30 -7.297 8.283 3.908 1.00 0.00 C ATOM 404 C LYS A 30 -7.847 7.039 3.207 1.00 0.00 C ATOM 405 O LYS A 30 -9.052 6.795 3.223 1.00 0.00 O ATOM 406 CB LYS A 30 -7.051 9.463 2.965 1.00 0.00 C ATOM 407 CG LYS A 30 -7.530 10.774 3.591 1.00 0.00 C ATOM 408 CD LYS A 30 -6.985 10.936 5.011 1.00 0.00 C ATOM 409 CE LYS A 30 -7.982 11.684 5.899 1.00 0.00 C ATOM 410 NZ LYS A 30 -7.269 12.465 6.934 1.00 0.00 N ATOM 0 H LYS A 30 -5.304 8.585 4.480 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.062 8.619 4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.988 9.533 2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.572 9.294 2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.207 11.614 2.976 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.620 10.794 3.612 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.776 9.955 5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.040 11.479 4.982 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.593 12.350 5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.660 10.974 6.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.636 12.213 7.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.252 12.251 6.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.417 13.481 6.766 1.00 0.00 H new ATOM 424 N VAL A 31 -6.936 6.286 2.608 1.00 0.00 N ATOM 425 CA VAL A 31 -7.314 5.074 1.902 1.00 0.00 C ATOM 426 C VAL A 31 -7.780 4.024 2.913 1.00 0.00 C ATOM 427 O VAL A 31 -8.681 3.238 2.626 1.00 0.00 O ATOM 428 CB VAL A 31 -6.152 4.591 1.032 1.00 0.00 C ATOM 429 CG1 VAL A 31 -6.545 3.347 0.233 1.00 0.00 C ATOM 430 CG2 VAL A 31 -5.661 5.705 0.105 1.00 0.00 C ATOM 0 H VAL A 31 -5.937 6.492 2.597 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.148 5.269 1.228 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.330 4.318 1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.701 3.025 -0.377 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.824 2.547 0.919 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.391 3.582 -0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.835 5.335 -0.502 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.476 6.023 -0.546 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -5.322 6.552 0.702 1.00 0.00 H new ATOM 440 N ARG A 32 -7.145 4.046 4.076 1.00 0.00 N ATOM 441 CA ARG A 32 -7.483 3.106 5.131 1.00 0.00 C ATOM 442 C ARG A 32 -8.876 3.411 5.687 1.00 0.00 C ATOM 443 O ARG A 32 -9.591 2.505 6.111 1.00 0.00 O ATOM 444 CB ARG A 32 -6.463 3.166 6.269 1.00 0.00 C ATOM 445 CG ARG A 32 -5.060 2.822 5.767 1.00 0.00 C ATOM 446 CD ARG A 32 -4.282 2.024 6.815 1.00 0.00 C ATOM 447 NE ARG A 32 -3.378 2.922 7.567 1.00 0.00 N ATOM 448 CZ ARG A 32 -2.333 2.501 8.292 1.00 0.00 C ATOM 449 NH1 ARG A 32 -2.053 1.193 8.367 1.00 0.00 N ATOM 450 NH2 ARG A 32 -1.567 3.388 8.942 1.00 0.00 N ATOM 0 H ARG A 32 -6.398 4.700 4.311 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.471 2.105 4.700 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.461 4.164 6.708 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.751 2.471 7.058 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.131 2.245 4.845 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -4.520 3.739 5.529 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.975 1.535 7.500 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.705 1.237 6.330 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.562 3.925 7.531 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.635 0.518 7.872 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -1.257 0.873 8.919 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.780 4.384 8.885 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.771 3.067 9.494 1.00 0.00 H new ATOM 464 N ASP A 33 -9.219 4.691 5.666 1.00 0.00 N ATOM 465 CA ASP A 33 -10.513 5.126 6.163 1.00 0.00 C ATOM 466 C ASP A 33 -11.620 4.457 5.345 1.00 0.00 C ATOM 467 O ASP A 33 -12.773 4.414 5.773 1.00 0.00 O ATOM 468 CB ASP A 33 -10.675 6.641 6.025 1.00 0.00 C ATOM 469 CG ASP A 33 -12.017 7.195 6.507 1.00 0.00 C ATOM 470 OD1 ASP A 33 -12.973 7.145 5.702 1.00 0.00 O ATOM 471 OD2 ASP A 33 -12.058 7.656 7.668 1.00 0.00 O ATOM 0 H ASP A 33 -8.624 5.440 5.313 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.580 4.850 7.215 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.876 7.129 6.583 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.543 6.911 4.977 1.00 0.00 H new ATOM 476 N LEU A 34 -11.231 3.951 4.184 1.00 0.00 N ATOM 477 CA LEU A 34 -12.175 3.286 3.303 1.00 0.00 C ATOM 478 C LEU A 34 -12.178 1.786 3.605 1.00 0.00 C ATOM 479 O LEU A 34 -13.046 1.055 3.130 1.00 0.00 O ATOM 480 CB LEU A 34 -11.871 3.619 1.841 1.00 0.00 C ATOM 481 CG LEU A 34 -11.332 5.025 1.572 1.00 0.00 C ATOM 482 CD1 LEU A 34 -10.444 5.043 0.326 1.00 0.00 C ATOM 483 CD2 LEU A 34 -12.472 6.041 1.478 1.00 0.00 C ATOM 0 H LEU A 34 -10.274 3.988 3.833 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.186 3.650 3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -11.146 2.896 1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -12.784 3.484 1.261 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.708 5.319 2.416 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -10.074 6.054 0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.601 4.367 0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -11.024 4.720 -0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -12.061 7.032 1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -13.142 5.762 0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -13.027 6.053 2.416 1.00 0.00 H new ATOM 495 N GLY A 35 -11.197 1.371 4.392 1.00 0.00 N ATOM 496 CA GLY A 35 -11.075 -0.029 4.762 1.00 0.00 C ATOM 497 C GLY A 35 -10.076 -0.751 3.856 1.00 0.00 C ATOM 498 O GLY A 35 -10.196 -1.954 3.629 1.00 0.00 O ATOM 0 H GLY A 35 -10.479 1.980 4.784 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.752 -0.108 5.800 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.049 -0.513 4.693 1.00 0.00 H new ATOM 502 N MET A 36 -9.114 0.014 3.362 1.00 0.00 N ATOM 503 CA MET A 36 -8.095 -0.538 2.485 1.00 0.00 C ATOM 504 C MET A 36 -6.719 -0.504 3.153 1.00 0.00 C ATOM 505 O MET A 36 -6.318 0.519 3.706 1.00 0.00 O ATOM 506 CB MET A 36 -8.051 0.267 1.184 1.00 0.00 C ATOM 507 CG MET A 36 -9.310 0.028 0.349 1.00 0.00 C ATOM 508 SD MET A 36 -9.413 1.238 -0.960 1.00 0.00 S ATOM 509 CE MET A 36 -8.161 0.606 -2.065 1.00 0.00 C ATOM 0 H MET A 36 -9.018 1.012 3.552 1.00 0.00 H new ATOM 0 HA MET A 36 -8.349 -1.576 2.272 1.00 0.00 H new ATOM 0 HB2 MET A 36 -7.958 1.329 1.412 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.169 -0.014 0.608 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.291 -0.977 -0.074 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.194 0.090 0.983 1.00 0.00 H new ATOM 0 HE1 MET A 36 -8.497 0.715 -3.096 1.00 0.00 H new ATOM 0 HE2 MET A 36 -7.236 1.164 -1.924 1.00 0.00 H new ATOM 0 HE3 MET A 36 -7.985 -0.448 -1.851 1.00 0.00 H new ATOM 519 N VAL A 37 -6.034 -1.636 3.081 1.00 0.00 N ATOM 520 CA VAL A 37 -4.711 -1.749 3.672 1.00 0.00 C ATOM 521 C VAL A 37 -3.745 -0.822 2.931 1.00 0.00 C ATOM 522 O VAL A 37 -3.590 -0.926 1.715 1.00 0.00 O ATOM 523 CB VAL A 37 -4.260 -3.210 3.668 1.00 0.00 C ATOM 524 CG1 VAL A 37 -2.961 -3.385 4.458 1.00 0.00 C ATOM 525 CG2 VAL A 37 -5.359 -4.125 4.212 1.00 0.00 C ATOM 0 H VAL A 37 -6.370 -2.483 2.623 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.730 -1.432 4.715 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.066 -3.497 2.635 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.662 -4.433 4.439 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.177 -2.776 4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.118 -3.071 5.490 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.012 -5.158 4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.599 -3.837 5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -6.250 -4.033 3.591 1.00 0.00 H new ATOM 535 N VAL A 38 -3.121 0.062 3.694 1.00 0.00 N ATOM 536 CA VAL A 38 -2.174 1.006 3.125 1.00 0.00 C ATOM 537 C VAL A 38 -0.908 1.033 3.984 1.00 0.00 C ATOM 538 O VAL A 38 -0.970 0.819 5.194 1.00 0.00 O ATOM 539 CB VAL A 38 -2.828 2.382 2.982 1.00 0.00 C ATOM 540 CG1 VAL A 38 -1.845 3.399 2.400 1.00 0.00 C ATOM 541 CG2 VAL A 38 -4.098 2.299 2.132 1.00 0.00 C ATOM 0 H VAL A 38 -3.252 0.145 4.702 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.880 0.694 2.123 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.112 2.723 3.978 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.335 4.368 2.309 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.982 3.490 3.060 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.516 3.065 1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.544 3.290 2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.847 1.926 1.139 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.809 1.622 2.605 1.00 0.00 H new ATOM 551 N ASP A 39 0.210 1.297 3.325 1.00 0.00 N ATOM 552 CA ASP A 39 1.489 1.355 4.014 1.00 0.00 C ATOM 553 C ASP A 39 2.323 2.500 3.436 1.00 0.00 C ATOM 554 O ASP A 39 1.976 3.064 2.400 1.00 0.00 O ATOM 555 CB ASP A 39 2.275 0.056 3.826 1.00 0.00 C ATOM 556 CG ASP A 39 3.695 0.071 4.393 1.00 0.00 C ATOM 557 OD1 ASP A 39 3.848 0.576 5.526 1.00 0.00 O ATOM 558 OD2 ASP A 39 4.596 -0.422 3.681 1.00 0.00 O ATOM 0 H ASP A 39 0.258 1.473 2.321 1.00 0.00 H new ATOM 0 HA ASP A 39 1.294 1.508 5.075 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.721 -0.757 4.295 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.328 -0.168 2.761 1.00 0.00 H new ATOM 563 N LEU A 40 3.408 2.809 4.131 1.00 0.00 N ATOM 564 CA LEU A 40 4.294 3.876 3.700 1.00 0.00 C ATOM 565 C LEU A 40 5.669 3.290 3.372 1.00 0.00 C ATOM 566 O LEU A 40 6.254 2.577 4.187 1.00 0.00 O ATOM 567 CB LEU A 40 4.335 4.993 4.745 1.00 0.00 C ATOM 568 CG LEU A 40 3.700 6.322 4.330 1.00 0.00 C ATOM 569 CD1 LEU A 40 2.174 6.243 4.389 1.00 0.00 C ATOM 570 CD2 LEU A 40 4.248 7.477 5.171 1.00 0.00 C ATOM 0 H LEU A 40 3.693 2.339 4.990 1.00 0.00 H new ATOM 0 HA LEU A 40 3.918 4.338 2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.834 4.639 5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.376 5.177 5.010 1.00 0.00 H new ATOM 0 HG LEU A 40 3.971 6.521 3.293 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.748 7.201 4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.824 5.463 3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.861 6.009 5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.781 8.410 4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.027 7.298 6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.327 7.547 5.034 1.00 0.00 H new ATOM 582 N ILE A 41 6.145 3.612 2.179 1.00 0.00 N ATOM 583 CA ILE A 41 7.440 3.127 1.734 1.00 0.00 C ATOM 584 C ILE A 41 8.401 4.309 1.588 1.00 0.00 C ATOM 585 O ILE A 41 8.242 5.136 0.691 1.00 0.00 O ATOM 586 CB ILE A 41 7.291 2.295 0.458 1.00 0.00 C ATOM 587 CG1 ILE A 41 6.800 0.882 0.779 1.00 0.00 C ATOM 588 CG2 ILE A 41 8.595 2.281 -0.343 1.00 0.00 C ATOM 589 CD1 ILE A 41 6.604 0.066 -0.500 1.00 0.00 C ATOM 0 H ILE A 41 5.657 4.203 1.506 1.00 0.00 H new ATOM 0 HA ILE A 41 7.871 2.456 2.477 1.00 0.00 H new ATOM 0 HB ILE A 41 6.533 2.764 -0.169 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.519 0.382 1.427 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.860 0.936 1.328 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.462 1.683 -1.245 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.863 3.301 -0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 41 9.391 1.849 0.264 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.255 -0.934 -0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.866 0.556 -1.135 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.551 -0.006 -1.034 1.00 0.00 H new ATOM 601 N PHE A 42 9.376 4.352 2.484 1.00 0.00 N ATOM 602 CA PHE A 42 10.362 5.419 2.466 1.00 0.00 C ATOM 603 C PHE A 42 11.633 4.979 1.737 1.00 0.00 C ATOM 604 O PHE A 42 12.145 3.887 1.978 1.00 0.00 O ATOM 605 CB PHE A 42 10.707 5.733 3.923 1.00 0.00 C ATOM 606 CG PHE A 42 9.633 6.537 4.658 1.00 0.00 C ATOM 607 CD1 PHE A 42 9.523 7.876 4.447 1.00 0.00 C ATOM 608 CD2 PHE A 42 8.787 5.913 5.521 1.00 0.00 C ATOM 609 CE1 PHE A 42 8.526 8.623 5.129 1.00 0.00 C ATOM 610 CE2 PHE A 42 7.790 6.660 6.203 1.00 0.00 C ATOM 611 CZ PHE A 42 7.680 7.999 5.992 1.00 0.00 C ATOM 0 H PHE A 42 9.504 3.665 3.227 1.00 0.00 H new ATOM 0 HA PHE A 42 9.960 6.289 1.946 1.00 0.00 H new ATOM 0 HB2 PHE A 42 10.874 4.797 4.456 1.00 0.00 H new ATOM 0 HB3 PHE A 42 11.645 6.288 3.952 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.194 8.371 3.761 1.00 0.00 H new ATOM 0 HD2 PHE A 42 8.873 4.849 5.688 1.00 0.00 H new ATOM 0 HE1 PHE A 42 8.440 9.687 4.962 1.00 0.00 H new ATOM 0 HE2 PHE A 42 7.119 6.165 6.889 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.921 8.567 6.510 1.00 0.00 H new ATOM 621 N LEU A 43 12.106 5.852 0.860 1.00 0.00 N ATOM 622 CA LEU A 43 13.307 5.567 0.094 1.00 0.00 C ATOM 623 C LEU A 43 14.358 6.641 0.384 1.00 0.00 C ATOM 624 O LEU A 43 15.312 6.397 1.122 1.00 0.00 O ATOM 625 CB LEU A 43 12.973 5.420 -1.392 1.00 0.00 C ATOM 626 CG LEU A 43 11.620 4.784 -1.715 1.00 0.00 C ATOM 627 CD1 LEU A 43 11.119 5.230 -3.090 1.00 0.00 C ATOM 628 CD2 LEU A 43 11.687 3.260 -1.596 1.00 0.00 C ATOM 0 H LEU A 43 11.679 6.757 0.663 1.00 0.00 H new ATOM 0 HA LEU A 43 13.734 4.611 0.397 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.007 6.408 -1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.754 4.823 -1.862 1.00 0.00 H new ATOM 0 HG LEU A 43 10.895 5.132 -0.979 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.155 4.763 -3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.007 6.314 -3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.837 4.931 -3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.712 2.833 -1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.430 2.873 -2.293 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.967 2.986 -0.579 1.00 0.00 H new ATOM 640 N ASN A 44 14.148 7.806 -0.211 1.00 0.00 N ATOM 641 CA ASN A 44 15.066 8.917 -0.026 1.00 0.00 C ATOM 642 C ASN A 44 16.395 8.596 -0.712 1.00 0.00 C ATOM 643 O ASN A 44 16.760 9.237 -1.696 1.00 0.00 O ATOM 644 CB ASN A 44 15.346 9.157 1.459 1.00 0.00 C ATOM 645 CG ASN A 44 15.635 10.635 1.730 1.00 0.00 C ATOM 646 OD1 ASN A 44 14.777 11.494 1.611 1.00 0.00 O ATOM 647 ND2 ASN A 44 16.889 10.882 2.101 1.00 0.00 N ATOM 0 H ASN A 44 13.355 8.005 -0.822 1.00 0.00 H new ATOM 0 HA ASN A 44 14.608 9.808 -0.456 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.489 8.836 2.051 1.00 0.00 H new ATOM 0 HB3 ASN A 44 16.196 8.553 1.775 1.00 0.00 H new ATOM 0 HD21 ASN A 44 17.182 11.838 2.305 1.00 0.00 H new ATOM 0 HD22 ASN A 44 17.557 10.116 2.181 1.00 0.00 H new ATOM 654 N THR A 45 17.082 7.604 -0.166 1.00 0.00 N ATOM 655 CA THR A 45 18.362 7.189 -0.713 1.00 0.00 C ATOM 656 C THR A 45 18.394 5.672 -0.907 1.00 0.00 C ATOM 657 O THR A 45 18.898 5.182 -1.917 1.00 0.00 O ATOM 658 CB THR A 45 19.463 7.706 0.216 1.00 0.00 C ATOM 659 OG1 THR A 45 19.393 9.123 0.082 1.00 0.00 O ATOM 660 CG2 THR A 45 20.865 7.353 -0.285 1.00 0.00 C ATOM 0 H THR A 45 16.776 7.075 0.651 1.00 0.00 H new ATOM 0 HA THR A 45 18.525 7.615 -1.703 1.00 0.00 H new ATOM 0 HB THR A 45 19.320 7.293 1.214 1.00 0.00 H new ATOM 0 HG1 THR A 45 20.072 9.539 0.652 1.00 0.00 H new ATOM 0 HG21 THR A 45 21.609 7.743 0.410 1.00 0.00 H new ATOM 0 HG22 THR A 45 20.965 6.270 -0.353 1.00 0.00 H new ATOM 0 HG23 THR A 45 21.022 7.795 -1.269 1.00 0.00 H new ATOM 668 N GLU A 46 17.848 4.970 0.075 1.00 0.00 N ATOM 669 CA GLU A 46 17.807 3.519 0.025 1.00 0.00 C ATOM 670 C GLU A 46 17.656 3.042 -1.421 1.00 0.00 C ATOM 671 O GLU A 46 18.625 2.599 -2.037 1.00 0.00 O ATOM 672 CB GLU A 46 16.681 2.971 0.903 1.00 0.00 C ATOM 673 CG GLU A 46 17.240 2.110 2.038 1.00 0.00 C ATOM 674 CD GLU A 46 16.134 1.278 2.690 1.00 0.00 C ATOM 675 OE1 GLU A 46 15.487 0.511 1.945 1.00 0.00 O ATOM 676 OE2 GLU A 46 15.961 1.427 3.919 1.00 0.00 O ATOM 0 H GLU A 46 17.430 5.380 0.910 1.00 0.00 H new ATOM 0 HA GLU A 46 18.749 3.135 0.418 1.00 0.00 H new ATOM 0 HB2 GLU A 46 16.104 3.797 1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 46 15.997 2.379 0.295 1.00 0.00 H new ATOM 0 HG2 GLU A 46 18.016 1.450 1.650 1.00 0.00 H new ATOM 0 HG3 GLU A 46 17.709 2.748 2.787 1.00 0.00 H new ATOM 683 N VAL A 47 16.434 3.149 -1.921 1.00 0.00 N ATOM 684 CA VAL A 47 16.144 2.734 -3.283 1.00 0.00 C ATOM 685 C VAL A 47 15.386 3.852 -4.002 1.00 0.00 C ATOM 686 O VAL A 47 15.239 4.950 -3.468 1.00 0.00 O ATOM 687 CB VAL A 47 15.384 1.406 -3.275 1.00 0.00 C ATOM 688 CG1 VAL A 47 16.185 0.320 -2.554 1.00 0.00 C ATOM 689 CG2 VAL A 47 13.998 1.571 -2.649 1.00 0.00 C ATOM 0 H VAL A 47 15.633 3.517 -1.408 1.00 0.00 H new ATOM 0 HA VAL A 47 17.068 2.561 -3.834 1.00 0.00 H new ATOM 0 HB VAL A 47 15.249 1.092 -4.310 1.00 0.00 H new ATOM 0 HG11 VAL A 47 15.622 -0.613 -2.563 1.00 0.00 H new ATOM 0 HG12 VAL A 47 17.138 0.174 -3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 47 16.366 0.625 -1.523 1.00 0.00 H new ATOM 0 HG21 VAL A 47 13.479 0.612 -2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.102 1.920 -1.622 1.00 0.00 H new ATOM 0 HG23 VAL A 47 13.424 2.298 -3.223 1.00 0.00 H new ATOM 699 N SER A 48 14.924 3.533 -5.202 1.00 0.00 N ATOM 700 CA SER A 48 14.184 4.497 -5.999 1.00 0.00 C ATOM 701 C SER A 48 12.705 4.110 -6.049 1.00 0.00 C ATOM 702 O SER A 48 12.296 3.126 -5.435 1.00 0.00 O ATOM 703 CB SER A 48 14.755 4.595 -7.415 1.00 0.00 C ATOM 704 OG SER A 48 14.151 5.646 -8.164 1.00 0.00 O ATOM 0 H SER A 48 15.048 2.621 -5.642 1.00 0.00 H new ATOM 0 HA SER A 48 14.281 5.475 -5.529 1.00 0.00 H new ATOM 0 HB2 SER A 48 15.831 4.761 -7.361 1.00 0.00 H new ATOM 0 HB3 SER A 48 14.604 3.648 -7.933 1.00 0.00 H new ATOM 0 HG SER A 48 14.544 5.676 -9.061 1.00 0.00 H new ATOM 710 N LEU A 49 11.943 4.905 -6.786 1.00 0.00 N ATOM 711 CA LEU A 49 10.517 4.657 -6.924 1.00 0.00 C ATOM 712 C LEU A 49 10.301 3.264 -7.518 1.00 0.00 C ATOM 713 O LEU A 49 9.659 2.416 -6.902 1.00 0.00 O ATOM 714 CB LEU A 49 9.855 5.778 -7.727 1.00 0.00 C ATOM 715 CG LEU A 49 8.504 6.270 -7.204 1.00 0.00 C ATOM 716 CD1 LEU A 49 7.939 7.377 -8.097 1.00 0.00 C ATOM 717 CD2 LEU A 49 7.522 5.108 -7.042 1.00 0.00 C ATOM 0 H LEU A 49 12.285 5.721 -7.294 1.00 0.00 H new ATOM 0 HA LEU A 49 10.032 4.666 -5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 49 10.539 6.626 -7.762 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.722 5.433 -8.752 1.00 0.00 H new ATOM 0 HG LEU A 49 8.658 6.702 -6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.978 7.708 -7.702 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.632 8.218 -8.117 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.803 6.995 -9.109 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.570 5.486 -6.669 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.368 4.625 -8.007 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.928 4.385 -6.335 1.00 0.00 H new ATOM 729 N SER A 50 10.850 3.072 -8.709 1.00 0.00 N ATOM 730 CA SER A 50 10.725 1.796 -9.393 1.00 0.00 C ATOM 731 C SER A 50 10.990 0.649 -8.415 1.00 0.00 C ATOM 732 O SER A 50 10.144 -0.225 -8.234 1.00 0.00 O ATOM 733 CB SER A 50 11.686 1.712 -10.581 1.00 0.00 C ATOM 734 OG SER A 50 13.046 1.636 -10.164 1.00 0.00 O ATOM 0 H SER A 50 11.382 3.778 -9.217 1.00 0.00 H new ATOM 0 HA SER A 50 9.708 1.711 -9.775 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.442 0.837 -11.183 1.00 0.00 H new ATOM 0 HB3 SER A 50 11.551 2.585 -11.219 1.00 0.00 H new ATOM 0 HG SER A 50 13.627 1.582 -10.951 1.00 0.00 H new ATOM 740 N GLN A 51 12.168 0.691 -7.809 1.00 0.00 N ATOM 741 CA GLN A 51 12.554 -0.334 -6.854 1.00 0.00 C ATOM 742 C GLN A 51 11.367 -0.702 -5.961 1.00 0.00 C ATOM 743 O GLN A 51 11.242 -1.847 -5.529 1.00 0.00 O ATOM 744 CB GLN A 51 13.750 0.121 -6.016 1.00 0.00 C ATOM 745 CG GLN A 51 15.066 -0.358 -6.633 1.00 0.00 C ATOM 746 CD GLN A 51 15.068 -1.878 -6.807 1.00 0.00 C ATOM 747 OE1 GLN A 51 14.675 -2.412 -7.831 1.00 0.00 O ATOM 748 NE2 GLN A 51 15.533 -2.543 -5.753 1.00 0.00 N ATOM 0 H GLN A 51 12.867 1.418 -7.961 1.00 0.00 H new ATOM 0 HA GLN A 51 12.857 -1.223 -7.407 1.00 0.00 H new ATOM 0 HB2 GLN A 51 13.754 1.208 -5.942 1.00 0.00 H new ATOM 0 HB3 GLN A 51 13.657 -0.268 -5.002 1.00 0.00 H new ATOM 0 HG2 GLN A 51 15.215 0.123 -7.600 1.00 0.00 H new ATOM 0 HG3 GLN A 51 15.900 -0.060 -5.997 1.00 0.00 H new ATOM 0 HE21 GLN A 51 15.846 -2.034 -4.926 1.00 0.00 H new ATOM 0 HE22 GLN A 51 15.576 -3.562 -5.771 1.00 0.00 H new ATOM 757 N ALA A 52 10.526 0.290 -5.711 1.00 0.00 N ATOM 758 CA ALA A 52 9.353 0.085 -4.877 1.00 0.00 C ATOM 759 C ALA A 52 8.188 -0.383 -5.750 1.00 0.00 C ATOM 760 O ALA A 52 7.434 -1.274 -5.360 1.00 0.00 O ATOM 761 CB ALA A 52 9.033 1.376 -4.120 1.00 0.00 C ATOM 0 H ALA A 52 10.633 1.238 -6.071 1.00 0.00 H new ATOM 0 HA ALA A 52 9.541 -0.690 -4.134 1.00 0.00 H new ATOM 0 HB1 ALA A 52 8.154 1.223 -3.495 1.00 0.00 H new ATOM 0 HB2 ALA A 52 9.881 1.650 -3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.836 2.177 -4.833 1.00 0.00 H new ATOM 767 N LEU A 53 8.076 0.237 -6.916 1.00 0.00 N ATOM 768 CA LEU A 53 7.015 -0.105 -7.847 1.00 0.00 C ATOM 769 C LEU A 53 7.112 -1.590 -8.201 1.00 0.00 C ATOM 770 O LEU A 53 6.115 -2.309 -8.159 1.00 0.00 O ATOM 771 CB LEU A 53 7.052 0.821 -9.065 1.00 0.00 C ATOM 772 CG LEU A 53 6.845 2.310 -8.782 1.00 0.00 C ATOM 773 CD1 LEU A 53 6.757 3.109 -10.084 1.00 0.00 C ATOM 774 CD2 LEU A 53 5.623 2.534 -7.889 1.00 0.00 C ATOM 0 H LEU A 53 8.703 0.975 -7.237 1.00 0.00 H new ATOM 0 HA LEU A 53 6.039 0.050 -7.386 1.00 0.00 H new ATOM 0 HB2 LEU A 53 8.014 0.696 -9.562 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.285 0.495 -9.768 1.00 0.00 H new ATOM 0 HG LEU A 53 7.714 2.678 -8.237 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.610 4.164 -9.854 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.681 2.986 -10.649 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.918 2.746 -10.677 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.499 3.601 -7.703 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.734 2.146 -8.385 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.765 2.015 -6.941 1.00 0.00 H new ATOM 786 N GLU A 54 8.323 -2.006 -8.542 1.00 0.00 N ATOM 787 CA GLU A 54 8.564 -3.393 -8.903 1.00 0.00 C ATOM 788 C GLU A 54 8.131 -4.320 -7.765 1.00 0.00 C ATOM 789 O GLU A 54 7.726 -5.457 -8.005 1.00 0.00 O ATOM 790 CB GLU A 54 10.033 -3.619 -9.266 1.00 0.00 C ATOM 791 CG GLU A 54 10.398 -5.102 -9.178 1.00 0.00 C ATOM 792 CD GLU A 54 11.710 -5.388 -9.911 1.00 0.00 C ATOM 793 OE1 GLU A 54 12.766 -5.036 -9.343 1.00 0.00 O ATOM 794 OE2 GLU A 54 11.627 -5.952 -11.024 1.00 0.00 O ATOM 0 H GLU A 54 9.148 -1.407 -8.576 1.00 0.00 H new ATOM 0 HA GLU A 54 7.967 -3.628 -9.784 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.222 -3.254 -10.275 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.670 -3.044 -8.594 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.490 -5.396 -8.132 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.598 -5.703 -9.609 1.00 0.00 H new ATOM 801 N ASP A 55 8.232 -3.801 -6.550 1.00 0.00 N ATOM 802 CA ASP A 55 7.857 -4.568 -5.375 1.00 0.00 C ATOM 803 C ASP A 55 6.342 -4.482 -5.178 1.00 0.00 C ATOM 804 O ASP A 55 5.722 -5.426 -4.691 1.00 0.00 O ATOM 805 CB ASP A 55 8.530 -4.013 -4.117 1.00 0.00 C ATOM 806 CG ASP A 55 8.382 -4.883 -2.868 1.00 0.00 C ATOM 807 OD1 ASP A 55 7.821 -5.991 -3.011 1.00 0.00 O ATOM 808 OD2 ASP A 55 8.834 -4.421 -1.798 1.00 0.00 O ATOM 0 H ASP A 55 8.568 -2.858 -6.354 1.00 0.00 H new ATOM 0 HA ASP A 55 8.175 -5.599 -5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.592 -3.875 -4.322 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.115 -3.027 -3.906 1.00 0.00 H new ATOM 813 N VAL A 56 5.791 -3.342 -5.565 1.00 0.00 N ATOM 814 CA VAL A 56 4.360 -3.121 -5.437 1.00 0.00 C ATOM 815 C VAL A 56 3.610 -4.204 -6.214 1.00 0.00 C ATOM 816 O VAL A 56 2.815 -4.947 -5.641 1.00 0.00 O ATOM 817 CB VAL A 56 4.007 -1.704 -5.894 1.00 0.00 C ATOM 818 CG1 VAL A 56 2.490 -1.509 -5.954 1.00 0.00 C ATOM 819 CG2 VAL A 56 4.658 -0.657 -4.987 1.00 0.00 C ATOM 0 H VAL A 56 6.309 -2.561 -5.967 1.00 0.00 H new ATOM 0 HA VAL A 56 4.053 -3.198 -4.394 1.00 0.00 H new ATOM 0 HB VAL A 56 4.403 -1.569 -6.901 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.266 -0.494 -6.281 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.059 -2.221 -6.658 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.063 -1.674 -4.965 1.00 0.00 H new ATOM 0 HG21 VAL A 56 4.391 0.341 -5.334 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.306 -0.792 -3.964 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.741 -0.774 -5.016 1.00 0.00 H new ATOM 829 N SER A 57 3.888 -4.260 -7.509 1.00 0.00 N ATOM 830 CA SER A 57 3.249 -5.239 -8.370 1.00 0.00 C ATOM 831 C SER A 57 3.553 -6.653 -7.870 1.00 0.00 C ATOM 832 O SER A 57 2.646 -7.385 -7.478 1.00 0.00 O ATOM 833 CB SER A 57 3.708 -5.079 -9.821 1.00 0.00 C ATOM 834 OG SER A 57 4.179 -6.307 -10.371 1.00 0.00 O ATOM 0 H SER A 57 4.548 -3.642 -7.982 1.00 0.00 H new ATOM 0 HA SER A 57 2.172 -5.072 -8.337 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.880 -4.706 -10.424 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.500 -4.332 -9.870 1.00 0.00 H new ATOM 0 HG SER A 57 4.461 -6.163 -11.298 1.00 0.00 H new ATOM 840 N ARG A 58 4.833 -6.995 -7.901 1.00 0.00 N ATOM 841 CA ARG A 58 5.267 -8.308 -7.456 1.00 0.00 C ATOM 842 C ARG A 58 4.649 -8.639 -6.096 1.00 0.00 C ATOM 843 O ARG A 58 4.308 -9.790 -5.829 1.00 0.00 O ATOM 844 CB ARG A 58 6.792 -8.375 -7.346 1.00 0.00 C ATOM 845 CG ARG A 58 7.255 -8.016 -5.933 1.00 0.00 C ATOM 846 CD ARG A 58 8.783 -7.963 -5.853 1.00 0.00 C ATOM 847 NE ARG A 58 9.210 -7.779 -4.449 1.00 0.00 N ATOM 848 CZ ARG A 58 10.437 -7.383 -4.083 1.00 0.00 C ATOM 849 NH1 ARG A 58 11.365 -7.127 -5.015 1.00 0.00 N ATOM 850 NH2 ARG A 58 10.736 -7.243 -2.784 1.00 0.00 N ATOM 0 H ARG A 58 5.583 -6.386 -8.227 1.00 0.00 H new ATOM 0 HA ARG A 58 4.935 -9.036 -8.196 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.135 -9.378 -7.601 1.00 0.00 H new ATOM 0 HB3 ARG A 58 7.243 -7.691 -8.065 1.00 0.00 H new ATOM 0 HG2 ARG A 58 6.839 -7.051 -5.644 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.875 -8.752 -5.224 1.00 0.00 H new ATOM 0 HD2 ARG A 58 9.208 -8.883 -6.254 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.159 -7.144 -6.466 1.00 0.00 H new ATOM 0 HE ARG A 58 8.528 -7.965 -3.713 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.138 -7.233 -6.004 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.299 -6.826 -4.736 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.030 -7.438 -2.074 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.670 -6.942 -2.505 1.00 0.00 H new ATOM 864 N GLY A 59 4.523 -7.609 -5.273 1.00 0.00 N ATOM 865 CA GLY A 59 3.952 -7.776 -3.947 1.00 0.00 C ATOM 866 C GLY A 59 2.454 -8.078 -4.030 1.00 0.00 C ATOM 867 O GLY A 59 1.892 -8.699 -3.129 1.00 0.00 O ATOM 0 H GLY A 59 4.806 -6.655 -5.498 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.462 -8.587 -3.427 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.112 -6.871 -3.361 1.00 0.00 H new ATOM 871 N GLY A 60 1.851 -7.623 -5.118 1.00 0.00 N ATOM 872 CA GLY A 60 0.429 -7.837 -5.330 1.00 0.00 C ATOM 873 C GLY A 60 -0.336 -6.512 -5.292 1.00 0.00 C ATOM 874 O GLY A 60 -1.413 -6.397 -5.875 1.00 0.00 O ATOM 0 H GLY A 60 2.321 -7.107 -5.862 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.270 -8.325 -6.291 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.040 -8.508 -4.564 1.00 0.00 H new ATOM 878 N SER A 61 0.251 -5.546 -4.601 1.00 0.00 N ATOM 879 CA SER A 61 -0.362 -4.234 -4.480 1.00 0.00 C ATOM 880 C SER A 61 -0.996 -3.828 -5.811 1.00 0.00 C ATOM 881 O SER A 61 -0.296 -3.646 -6.807 1.00 0.00 O ATOM 882 CB SER A 61 0.662 -3.187 -4.038 1.00 0.00 C ATOM 883 OG SER A 61 0.774 -3.114 -2.620 1.00 0.00 O ATOM 0 H SER A 61 1.145 -5.646 -4.119 1.00 0.00 H new ATOM 0 HA SER A 61 -1.139 -4.288 -3.717 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.635 -3.428 -4.466 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.375 -2.211 -4.429 1.00 0.00 H new ATOM 0 HG SER A 61 -0.089 -3.336 -2.212 1.00 0.00 H new ATOM 889 N PRO A 62 -2.349 -3.694 -5.786 1.00 0.00 N ATOM 890 CA PRO A 62 -3.086 -3.313 -6.979 1.00 0.00 C ATOM 891 C PRO A 62 -2.909 -1.823 -7.280 1.00 0.00 C ATOM 892 O PRO A 62 -2.684 -1.440 -8.427 1.00 0.00 O ATOM 893 CB PRO A 62 -4.529 -3.693 -6.689 1.00 0.00 C ATOM 894 CG PRO A 62 -4.625 -3.842 -5.179 1.00 0.00 C ATOM 895 CD PRO A 62 -3.211 -3.901 -4.626 1.00 0.00 C ATOM 0 HA PRO A 62 -2.727 -3.820 -7.875 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.215 -2.927 -7.050 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.797 -4.623 -7.191 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.169 -3.003 -4.746 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.175 -4.747 -4.919 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.049 -3.132 -3.870 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.012 -4.862 -4.151 1.00 0.00 H new ATOM 903 N PHE A 63 -3.019 -1.023 -6.229 1.00 0.00 N ATOM 904 CA PHE A 63 -2.874 0.416 -6.366 1.00 0.00 C ATOM 905 C PHE A 63 -1.649 0.919 -5.600 1.00 0.00 C ATOM 906 O PHE A 63 -1.293 0.369 -4.559 1.00 0.00 O ATOM 907 CB PHE A 63 -4.131 1.051 -5.768 1.00 0.00 C ATOM 908 CG PHE A 63 -5.437 0.534 -6.373 1.00 0.00 C ATOM 909 CD1 PHE A 63 -5.428 -0.083 -7.585 1.00 0.00 C ATOM 910 CD2 PHE A 63 -6.608 0.692 -5.699 1.00 0.00 C ATOM 911 CE1 PHE A 63 -6.641 -0.563 -8.146 1.00 0.00 C ATOM 912 CE2 PHE A 63 -7.821 0.212 -6.260 1.00 0.00 C ATOM 913 CZ PHE A 63 -7.812 -0.405 -7.472 1.00 0.00 C ATOM 0 H PHE A 63 -3.207 -1.344 -5.279 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.746 0.679 -7.416 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.142 0.867 -4.694 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.081 2.131 -5.906 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.499 -0.208 -8.121 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.615 1.183 -4.737 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.634 -1.054 -9.108 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -8.750 0.337 -5.724 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.734 -0.769 -7.899 1.00 0.00 H new ATOM 923 N ALA A 64 -1.036 1.960 -6.146 1.00 0.00 N ATOM 924 CA ALA A 64 0.142 2.544 -5.527 1.00 0.00 C ATOM 925 C ALA A 64 0.061 4.068 -5.624 1.00 0.00 C ATOM 926 O ALA A 64 -0.125 4.616 -6.709 1.00 0.00 O ATOM 927 CB ALA A 64 1.400 1.983 -6.193 1.00 0.00 C ATOM 0 H ALA A 64 -1.333 2.414 -7.010 1.00 0.00 H new ATOM 0 HA ALA A 64 0.189 2.283 -4.470 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.284 2.421 -5.729 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.425 0.900 -6.070 1.00 0.00 H new ATOM 0 HB3 ALA A 64 1.389 2.228 -7.255 1.00 0.00 H new ATOM 933 N ILE A 65 0.205 4.711 -4.474 1.00 0.00 N ATOM 934 CA ILE A 65 0.151 6.162 -4.416 1.00 0.00 C ATOM 935 C ILE A 65 1.572 6.725 -4.490 1.00 0.00 C ATOM 936 O ILE A 65 2.483 6.204 -3.849 1.00 0.00 O ATOM 937 CB ILE A 65 -0.628 6.620 -3.181 1.00 0.00 C ATOM 938 CG1 ILE A 65 -2.135 6.594 -3.442 1.00 0.00 C ATOM 939 CG2 ILE A 65 -0.151 7.995 -2.711 1.00 0.00 C ATOM 940 CD1 ILE A 65 -2.916 6.443 -2.135 1.00 0.00 C ATOM 0 H ILE A 65 0.359 4.254 -3.575 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.394 6.557 -5.273 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.430 5.917 -2.372 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.436 7.513 -3.946 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.377 5.769 -4.112 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.721 8.297 -1.832 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.908 7.946 -2.458 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.300 8.724 -3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.985 6.427 -2.349 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.630 5.512 -1.646 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.690 7.282 -1.477 1.00 0.00 H new ATOM 952 N VAL A 66 1.715 7.780 -5.278 1.00 0.00 N ATOM 953 CA VAL A 66 3.010 8.419 -5.444 1.00 0.00 C ATOM 954 C VAL A 66 3.053 9.699 -4.606 1.00 0.00 C ATOM 955 O VAL A 66 2.158 10.537 -4.699 1.00 0.00 O ATOM 956 CB VAL A 66 3.283 8.667 -6.929 1.00 0.00 C ATOM 957 CG1 VAL A 66 3.376 10.165 -7.226 1.00 0.00 C ATOM 958 CG2 VAL A 66 4.550 7.939 -7.382 1.00 0.00 C ATOM 0 H VAL A 66 0.956 8.208 -5.808 1.00 0.00 H new ATOM 0 HA VAL A 66 3.807 7.768 -5.084 1.00 0.00 H new ATOM 0 HB VAL A 66 2.444 8.264 -7.496 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.571 10.314 -8.288 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.436 10.648 -6.958 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.187 10.602 -6.644 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.721 8.132 -8.441 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.402 8.299 -6.805 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.430 6.867 -7.223 1.00 0.00 H new ATOM 968 N ILE A 67 4.104 9.808 -3.806 1.00 0.00 N ATOM 969 CA ILE A 67 4.276 10.971 -2.953 1.00 0.00 C ATOM 970 C ILE A 67 5.660 11.578 -3.197 1.00 0.00 C ATOM 971 O ILE A 67 6.618 10.857 -3.469 1.00 0.00 O ATOM 972 CB ILE A 67 4.015 10.606 -1.490 1.00 0.00 C ATOM 973 CG1 ILE A 67 2.747 9.761 -1.354 1.00 0.00 C ATOM 974 CG2 ILE A 67 3.966 11.858 -0.612 1.00 0.00 C ATOM 975 CD1 ILE A 67 1.497 10.643 -1.363 1.00 0.00 C ATOM 0 H ILE A 67 4.844 9.110 -3.731 1.00 0.00 H new ATOM 0 HA ILE A 67 3.542 11.738 -3.203 1.00 0.00 H new ATOM 0 HB ILE A 67 4.847 9.998 -1.136 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.695 9.042 -2.172 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.785 9.188 -0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.779 11.570 0.422 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.918 12.385 -0.676 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.166 12.513 -0.956 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.610 10.018 -1.265 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.541 11.344 -0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.449 11.196 -2.301 1.00 0.00 H new ATOM 987 N THR A 68 5.719 12.897 -3.092 1.00 0.00 N ATOM 988 CA THR A 68 6.969 13.609 -3.298 1.00 0.00 C ATOM 989 C THR A 68 6.808 15.086 -2.934 1.00 0.00 C ATOM 990 O THR A 68 5.702 15.623 -2.978 1.00 0.00 O ATOM 991 CB THR A 68 7.407 13.384 -4.747 1.00 0.00 C ATOM 992 OG1 THR A 68 8.794 13.713 -4.745 1.00 0.00 O ATOM 993 CG2 THR A 68 6.785 14.397 -5.710 1.00 0.00 C ATOM 0 H THR A 68 4.921 13.492 -2.867 1.00 0.00 H new ATOM 0 HA THR A 68 7.753 13.230 -2.643 1.00 0.00 H new ATOM 0 HB THR A 68 7.135 12.375 -5.056 1.00 0.00 H new ATOM 0 HG1 THR A 68 9.160 13.593 -5.646 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.128 14.193 -6.724 1.00 0.00 H new ATOM 0 HG22 THR A 68 5.699 14.316 -5.671 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.084 15.405 -5.421 1.00 0.00 H new ATOM 1001 N GLN A 69 7.928 15.701 -2.583 1.00 0.00 N ATOM 1002 CA GLN A 69 7.925 17.106 -2.211 1.00 0.00 C ATOM 1003 C GLN A 69 7.006 17.899 -3.142 1.00 0.00 C ATOM 1004 O GLN A 69 6.003 18.458 -2.701 1.00 0.00 O ATOM 1005 CB GLN A 69 9.344 17.679 -2.223 1.00 0.00 C ATOM 1006 CG GLN A 69 10.205 17.031 -1.137 1.00 0.00 C ATOM 1007 CD GLN A 69 11.418 17.903 -0.807 1.00 0.00 C ATOM 1008 OE1 GLN A 69 11.307 19.084 -0.521 1.00 0.00 O ATOM 1009 NE2 GLN A 69 12.580 17.257 -0.861 1.00 0.00 N ATOM 0 H GLN A 69 8.843 15.252 -2.548 1.00 0.00 H new ATOM 0 HA GLN A 69 7.542 17.192 -1.194 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.799 17.514 -3.200 1.00 0.00 H new ATOM 0 HB3 GLN A 69 9.306 18.757 -2.067 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.608 16.877 -0.238 1.00 0.00 H new ATOM 0 HG3 GLN A 69 10.539 16.048 -1.470 1.00 0.00 H new ATOM 0 HE21 GLN A 69 12.602 16.267 -1.107 1.00 0.00 H new ATOM 0 HE22 GLN A 69 13.448 17.751 -0.656 1.00 0.00 H new ATOM 1018 N GLN A 70 7.381 17.923 -4.413 1.00 0.00 N ATOM 1019 CA GLN A 70 6.602 18.639 -5.409 1.00 0.00 C ATOM 1020 C GLN A 70 5.108 18.392 -5.193 1.00 0.00 C ATOM 1021 O GLN A 70 4.317 19.334 -5.164 1.00 0.00 O ATOM 1022 CB GLN A 70 7.025 18.241 -6.825 1.00 0.00 C ATOM 1023 CG GLN A 70 6.791 19.388 -7.810 1.00 0.00 C ATOM 1024 CD GLN A 70 7.915 20.422 -7.725 1.00 0.00 C ATOM 1025 OE1 GLN A 70 8.691 20.458 -6.784 1.00 0.00 O ATOM 1026 NE2 GLN A 70 7.960 21.259 -8.758 1.00 0.00 N ATOM 0 H GLN A 70 8.214 17.458 -4.776 1.00 0.00 H new ATOM 0 HA GLN A 70 6.794 19.706 -5.294 1.00 0.00 H new ATOM 0 HB2 GLN A 70 8.079 17.963 -6.829 1.00 0.00 H new ATOM 0 HB3 GLN A 70 6.463 17.363 -7.143 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.730 18.994 -8.825 1.00 0.00 H new ATOM 0 HG3 GLN A 70 5.835 19.866 -7.596 1.00 0.00 H new ATOM 0 HE21 GLN A 70 7.280 21.174 -9.513 1.00 0.00 H new ATOM 0 HE22 GLN A 70 8.675 21.986 -8.795 1.00 0.00 H new ATOM 1035 N HIS A 71 4.766 17.120 -5.048 1.00 0.00 N ATOM 1036 CA HIS A 71 3.380 16.738 -4.835 1.00 0.00 C ATOM 1037 C HIS A 71 2.836 17.448 -3.594 1.00 0.00 C ATOM 1038 O HIS A 71 1.811 18.124 -3.661 1.00 0.00 O ATOM 1039 CB HIS A 71 3.243 15.216 -4.756 1.00 0.00 C ATOM 1040 CG HIS A 71 3.075 14.543 -6.097 1.00 0.00 C ATOM 1041 ND1 HIS A 71 3.834 13.455 -6.490 1.00 0.00 N ATOM 1042 CD2 HIS A 71 2.227 14.815 -7.130 1.00 0.00 C ATOM 1043 CE1 HIS A 71 3.452 13.097 -7.708 1.00 0.00 C ATOM 1044 NE2 HIS A 71 2.457 13.941 -8.103 1.00 0.00 N ATOM 0 H HIS A 71 5.424 16.341 -5.074 1.00 0.00 H new ATOM 0 HA HIS A 71 2.776 17.056 -5.685 1.00 0.00 H new ATOM 0 HB2 HIS A 71 4.126 14.807 -4.264 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.386 14.971 -4.128 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.493 15.607 -7.153 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.858 12.280 -8.286 1.00 0.00 H new ATOM 0 HE2 HIS A 71 1.970 13.907 -8.998 1.00 0.00 H new ATOM 1052 N GLN A 72 3.547 17.270 -2.491 1.00 0.00 N ATOM 1053 CA GLN A 72 3.148 17.885 -1.236 1.00 0.00 C ATOM 1054 C GLN A 72 2.606 19.294 -1.485 1.00 0.00 C ATOM 1055 O GLN A 72 1.617 19.699 -0.875 1.00 0.00 O ATOM 1056 CB GLN A 72 4.313 17.914 -0.245 1.00 0.00 C ATOM 1057 CG GLN A 72 3.828 18.273 1.161 1.00 0.00 C ATOM 1058 CD GLN A 72 4.707 19.359 1.784 1.00 0.00 C ATOM 1059 OE1 GLN A 72 4.320 20.510 1.911 1.00 0.00 O ATOM 1060 NE2 GLN A 72 5.907 18.932 2.165 1.00 0.00 N ATOM 0 H GLN A 72 4.397 16.709 -2.440 1.00 0.00 H new ATOM 0 HA GLN A 72 2.354 17.283 -0.795 1.00 0.00 H new ATOM 0 HB2 GLN A 72 4.804 16.941 -0.227 1.00 0.00 H new ATOM 0 HB3 GLN A 72 5.057 18.640 -0.574 1.00 0.00 H new ATOM 0 HG2 GLN A 72 2.795 18.618 1.116 1.00 0.00 H new ATOM 0 HG3 GLN A 72 3.840 17.384 1.792 1.00 0.00 H new ATOM 0 HE21 GLN A 72 6.167 17.955 2.030 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.567 19.581 2.593 1.00 0.00 H new ATOM 1069 N ILE A 73 3.276 20.002 -2.382 1.00 0.00 N ATOM 1070 CA ILE A 73 2.873 21.357 -2.719 1.00 0.00 C ATOM 1071 C ILE A 73 1.482 21.328 -3.354 1.00 0.00 C ATOM 1072 O ILE A 73 0.582 22.046 -2.920 1.00 0.00 O ATOM 1073 CB ILE A 73 3.934 22.030 -3.593 1.00 0.00 C ATOM 1074 CG1 ILE A 73 5.267 22.141 -2.850 1.00 0.00 C ATOM 1075 CG2 ILE A 73 3.445 23.388 -4.100 1.00 0.00 C ATOM 1076 CD1 ILE A 73 6.442 21.860 -3.788 1.00 0.00 C ATOM 0 H ILE A 73 4.095 19.663 -2.886 1.00 0.00 H new ATOM 0 HA ILE A 73 2.800 21.967 -1.819 1.00 0.00 H new ATOM 0 HB ILE A 73 4.105 21.402 -4.468 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.368 23.139 -2.424 1.00 0.00 H new ATOM 0 HG13 ILE A 73 5.284 21.436 -2.019 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.217 23.845 -4.718 1.00 0.00 H new ATOM 0 HG22 ILE A 73 2.540 23.251 -4.692 1.00 0.00 H new ATOM 0 HG23 ILE A 73 3.229 24.037 -3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.377 21.945 -3.235 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.351 20.852 -4.194 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.436 22.582 -4.605 1.00 0.00 H new ATOM 1088 N HIS A 74 1.348 20.489 -4.371 1.00 0.00 N ATOM 1089 CA HIS A 74 0.081 20.357 -5.070 1.00 0.00 C ATOM 1090 C HIS A 74 -0.893 19.540 -4.218 1.00 0.00 C ATOM 1091 O HIS A 74 -2.043 19.339 -4.604 1.00 0.00 O ATOM 1092 CB HIS A 74 0.289 19.764 -6.465 1.00 0.00 C ATOM 1093 CG HIS A 74 1.396 20.423 -7.254 1.00 0.00 C ATOM 1094 ND1 HIS A 74 1.241 21.643 -7.888 1.00 0.00 N ATOM 1095 CD2 HIS A 74 2.675 20.020 -7.502 1.00 0.00 C ATOM 1096 CE1 HIS A 74 2.381 21.950 -8.489 1.00 0.00 C ATOM 1097 NE2 HIS A 74 3.268 20.942 -8.250 1.00 0.00 N ATOM 0 H HIS A 74 2.096 19.894 -4.727 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.360 21.343 -5.220 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.509 18.701 -6.368 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -0.642 19.846 -7.026 1.00 0.00 H new ATOM 0 HD1 HIS A 74 0.393 22.210 -7.892 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.129 19.105 -7.149 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.574 22.842 -9.067 1.00 0.00 H new ATOM 1105 N ARG A 75 -0.395 19.091 -3.075 1.00 0.00 N ATOM 1106 CA ARG A 75 -1.207 18.301 -2.165 1.00 0.00 C ATOM 1107 C ARG A 75 -1.926 17.186 -2.927 1.00 0.00 C ATOM 1108 O ARG A 75 -2.990 16.732 -2.511 1.00 0.00 O ATOM 1109 CB ARG A 75 -2.243 19.173 -1.452 1.00 0.00 C ATOM 1110 CG ARG A 75 -1.727 19.631 -0.087 1.00 0.00 C ATOM 1111 CD ARG A 75 -1.537 21.149 -0.054 1.00 0.00 C ATOM 1112 NE ARG A 75 -2.485 21.757 0.905 1.00 0.00 N ATOM 1113 CZ ARG A 75 -3.750 22.085 0.606 1.00 0.00 C ATOM 1114 NH1 ARG A 75 -4.225 21.865 -0.627 1.00 0.00 N ATOM 1115 NH2 ARG A 75 -4.539 22.633 1.540 1.00 0.00 N ATOM 0 H ARG A 75 0.560 19.259 -2.759 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.541 17.866 -1.420 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.477 20.042 -2.067 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.170 18.613 -1.325 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.430 19.332 0.691 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.780 19.137 0.132 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.513 21.389 0.232 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.696 21.565 -1.049 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.156 21.938 1.853 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.624 21.448 -1.338 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.187 22.114 -0.855 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.177 22.801 2.479 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.501 22.882 1.312 1.00 0.00 H new ATOM 1129 N SER A 76 -1.315 16.777 -4.030 1.00 0.00 N ATOM 1130 CA SER A 76 -1.884 15.724 -4.854 1.00 0.00 C ATOM 1131 C SER A 76 -0.869 14.593 -5.031 1.00 0.00 C ATOM 1132 O SER A 76 0.336 14.811 -4.912 1.00 0.00 O ATOM 1133 CB SER A 76 -2.319 16.266 -6.217 1.00 0.00 C ATOM 1134 OG SER A 76 -1.209 16.481 -7.085 1.00 0.00 O ATOM 0 H SER A 76 -0.432 17.156 -4.372 1.00 0.00 H new ATOM 0 HA SER A 76 -2.768 15.334 -4.350 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.012 15.565 -6.682 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.858 17.203 -6.079 1.00 0.00 H new ATOM 0 HG SER A 76 -1.528 16.825 -7.945 1.00 0.00 H new ATOM 1140 N CYS A 77 -1.394 13.409 -5.313 1.00 0.00 N ATOM 1141 CA CYS A 77 -0.549 12.244 -5.507 1.00 0.00 C ATOM 1142 C CYS A 77 -0.928 11.592 -6.839 1.00 0.00 C ATOM 1143 O CYS A 77 -1.872 12.025 -7.499 1.00 0.00 O ATOM 1144 CB CYS A 77 -0.661 11.262 -4.340 1.00 0.00 C ATOM 1145 SG CYS A 77 -2.403 11.137 -3.792 1.00 0.00 S ATOM 0 H CYS A 77 -2.394 13.232 -5.412 1.00 0.00 H new ATOM 0 HA CYS A 77 0.496 12.552 -5.538 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -0.295 10.281 -4.643 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -0.034 11.594 -3.513 1.00 0.00 H new ATOM 0 HG CYS A 77 -2.570 10.034 -3.125 1.00 0.00 H new ATOM 1151 N THR A 78 -0.172 10.564 -7.194 1.00 0.00 N ATOM 1152 CA THR A 78 -0.417 9.849 -8.435 1.00 0.00 C ATOM 1153 C THR A 78 -0.801 8.396 -8.147 1.00 0.00 C ATOM 1154 O THR A 78 -0.028 7.654 -7.542 1.00 0.00 O ATOM 1155 CB THR A 78 0.828 9.986 -9.314 1.00 0.00 C ATOM 1156 OG1 THR A 78 0.937 11.388 -9.545 1.00 0.00 O ATOM 1157 CG2 THR A 78 0.628 9.392 -10.710 1.00 0.00 C ATOM 0 H THR A 78 0.610 10.209 -6.644 1.00 0.00 H new ATOM 0 HA THR A 78 -1.262 10.274 -8.976 1.00 0.00 H new ATOM 0 HB THR A 78 1.671 9.494 -8.828 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.720 11.567 -10.106 1.00 0.00 H new ATOM 0 HG21 THR A 78 1.541 9.516 -11.292 1.00 0.00 H new ATOM 0 HG22 THR A 78 0.394 8.331 -10.624 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.193 9.906 -11.210 1.00 0.00 H new ATOM 1165 N VAL A 79 -1.994 8.032 -8.594 1.00 0.00 N ATOM 1166 CA VAL A 79 -2.489 6.681 -8.391 1.00 0.00 C ATOM 1167 C VAL A 79 -2.083 5.810 -9.582 1.00 0.00 C ATOM 1168 O VAL A 79 -2.513 6.053 -10.709 1.00 0.00 O ATOM 1169 CB VAL A 79 -4.001 6.708 -8.158 1.00 0.00 C ATOM 1170 CG1 VAL A 79 -4.546 5.295 -7.939 1.00 0.00 C ATOM 1171 CG2 VAL A 79 -4.359 7.622 -6.985 1.00 0.00 C ATOM 0 H VAL A 79 -2.632 8.649 -9.096 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.044 6.240 -7.499 1.00 0.00 H new ATOM 0 HB VAL A 79 -4.471 7.114 -9.054 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.623 5.342 -7.776 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.338 4.685 -8.818 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -4.066 4.851 -7.067 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -5.439 7.623 -6.841 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.873 7.259 -6.079 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.020 8.636 -7.197 1.00 0.00 H new ATOM 1181 N ASN A 80 -1.260 4.814 -9.292 1.00 0.00 N ATOM 1182 CA ASN A 80 -0.791 3.905 -10.324 1.00 0.00 C ATOM 1183 C ASN A 80 -1.365 2.510 -10.069 1.00 0.00 C ATOM 1184 O ASN A 80 -1.064 1.887 -9.052 1.00 0.00 O ATOM 1185 CB ASN A 80 0.735 3.798 -10.312 1.00 0.00 C ATOM 1186 CG ASN A 80 1.369 5.060 -9.724 1.00 0.00 C ATOM 1187 OD1 ASN A 80 1.151 5.419 -8.578 1.00 0.00 O ATOM 1188 ND2 ASN A 80 2.163 5.710 -10.569 1.00 0.00 N ATOM 0 H ASN A 80 -0.905 4.616 -8.356 1.00 0.00 H new ATOM 0 HA ASN A 80 -1.118 4.293 -11.289 1.00 0.00 H new ATOM 0 HB2 ASN A 80 1.037 2.929 -9.728 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.100 3.643 -11.327 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.634 6.565 -10.272 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.302 5.354 -11.515 1.00 0.00 H new ATOM 1195 N ILE A 81 -2.182 2.060 -11.010 1.00 0.00 N ATOM 1196 CA ILE A 81 -2.801 0.750 -10.900 1.00 0.00 C ATOM 1197 C ILE A 81 -1.830 -0.313 -11.417 1.00 0.00 C ATOM 1198 O ILE A 81 -1.064 -0.061 -12.346 1.00 0.00 O ATOM 1199 CB ILE A 81 -4.159 0.738 -11.606 1.00 0.00 C ATOM 1200 CG1 ILE A 81 -5.237 1.380 -10.732 1.00 0.00 C ATOM 1201 CG2 ILE A 81 -4.540 -0.679 -12.038 1.00 0.00 C ATOM 1202 CD1 ILE A 81 -6.482 1.717 -11.555 1.00 0.00 C ATOM 0 H ILE A 81 -2.430 2.579 -11.852 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.008 0.513 -9.856 1.00 0.00 H new ATOM 0 HB ILE A 81 -4.078 1.340 -12.511 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -5.505 0.702 -9.922 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.845 2.287 -10.272 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.509 -0.659 -12.537 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.786 -1.065 -12.724 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.597 -1.324 -11.161 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -7.233 2.172 -10.909 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -6.215 2.414 -12.349 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.886 0.805 -11.994 1.00 0.00 H new ATOM 1214 N MET A 82 -1.893 -1.480 -10.792 1.00 0.00 N ATOM 1215 CA MET A 82 -1.029 -2.583 -11.177 1.00 0.00 C ATOM 1216 C MET A 82 -1.845 -3.748 -11.741 1.00 0.00 C ATOM 1217 O MET A 82 -1.347 -4.521 -12.557 1.00 0.00 O ATOM 1218 CB MET A 82 -0.234 -3.058 -9.959 1.00 0.00 C ATOM 1219 CG MET A 82 0.594 -1.917 -9.365 1.00 0.00 C ATOM 1220 SD MET A 82 1.683 -1.243 -10.608 1.00 0.00 S ATOM 1221 CE MET A 82 3.024 -0.680 -9.572 1.00 0.00 C ATOM 0 H MET A 82 -2.529 -1.685 -10.022 1.00 0.00 H new ATOM 0 HA MET A 82 -0.348 -2.233 -11.952 1.00 0.00 H new ATOM 0 HB2 MET A 82 -0.917 -3.448 -9.204 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.424 -3.878 -10.247 1.00 0.00 H new ATOM 0 HG2 MET A 82 -0.066 -1.137 -8.986 1.00 0.00 H new ATOM 0 HG3 MET A 82 1.176 -2.281 -8.518 1.00 0.00 H new ATOM 0 HE1 MET A 82 3.790 -0.212 -10.191 1.00 0.00 H new ATOM 0 HE2 MET A 82 2.647 0.045 -8.851 1.00 0.00 H new ATOM 0 HE3 MET A 82 3.455 -1.529 -9.041 1.00 0.00 H new ATOM 1231 N PHE A 83 -3.085 -3.836 -11.284 1.00 0.00 N ATOM 1232 CA PHE A 83 -3.975 -4.894 -11.732 1.00 0.00 C ATOM 1233 C PHE A 83 -4.784 -4.449 -12.952 1.00 0.00 C ATOM 1234 O PHE A 83 -5.077 -3.264 -13.109 1.00 0.00 O ATOM 1235 CB PHE A 83 -4.935 -5.190 -10.579 1.00 0.00 C ATOM 1236 CG PHE A 83 -6.318 -4.557 -10.742 1.00 0.00 C ATOM 1237 CD1 PHE A 83 -7.168 -5.018 -11.698 1.00 0.00 C ATOM 1238 CD2 PHE A 83 -6.697 -3.533 -9.931 1.00 0.00 C ATOM 1239 CE1 PHE A 83 -8.452 -4.431 -11.849 1.00 0.00 C ATOM 1240 CE2 PHE A 83 -7.981 -2.946 -10.083 1.00 0.00 C ATOM 1241 CZ PHE A 83 -8.832 -3.407 -11.039 1.00 0.00 C ATOM 0 H PHE A 83 -3.495 -3.192 -10.608 1.00 0.00 H new ATOM 0 HA PHE A 83 -3.395 -5.773 -12.014 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -5.050 -6.270 -10.484 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.491 -4.834 -9.650 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -6.866 -5.831 -12.342 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.022 -3.167 -9.172 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -9.127 -4.798 -12.608 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -8.282 -2.133 -9.439 1.00 0.00 H new ATOM 0 HZ PHE A 83 -9.808 -2.960 -11.155 1.00 0.00 H new ATOM 1251 N GLY A 84 -5.122 -5.422 -13.785 1.00 0.00 N ATOM 1252 CA GLY A 84 -5.892 -5.146 -14.986 1.00 0.00 C ATOM 1253 C GLY A 84 -5.224 -4.055 -15.826 1.00 0.00 C ATOM 1254 O GLY A 84 -4.011 -3.866 -15.753 1.00 0.00 O ATOM 0 H GLY A 84 -4.877 -6.403 -13.652 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.990 -6.057 -15.577 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.900 -4.834 -14.713 1.00 0.00 H new ATOM 1258 N THR A 85 -6.046 -3.366 -16.605 1.00 0.00 N ATOM 1259 CA THR A 85 -5.550 -2.300 -17.458 1.00 0.00 C ATOM 1260 C THR A 85 -4.672 -1.338 -16.654 1.00 0.00 C ATOM 1261 O THR A 85 -5.076 -0.862 -15.594 1.00 0.00 O ATOM 1262 CB THR A 85 -6.754 -1.620 -18.113 1.00 0.00 C ATOM 1263 OG1 THR A 85 -7.139 -2.519 -19.150 1.00 0.00 O ATOM 1264 CG2 THR A 85 -6.371 -0.338 -18.855 1.00 0.00 C ATOM 0 H THR A 85 -7.052 -3.526 -16.663 1.00 0.00 H new ATOM 0 HA THR A 85 -4.909 -2.692 -18.248 1.00 0.00 H new ATOM 0 HB THR A 85 -7.499 -1.390 -17.351 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.915 -2.156 -19.626 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.262 0.104 -19.301 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.927 0.369 -18.154 1.00 0.00 H new ATOM 0 HG23 THR A 85 -5.651 -0.573 -19.639 1.00 0.00 H new ATOM 1272 N PRO A 86 -3.457 -1.074 -17.203 1.00 0.00 N ATOM 1273 CA PRO A 86 -2.519 -0.178 -16.549 1.00 0.00 C ATOM 1274 C PRO A 86 -2.948 1.281 -16.714 1.00 0.00 C ATOM 1275 O PRO A 86 -2.682 1.898 -17.745 1.00 0.00 O ATOM 1276 CB PRO A 86 -1.174 -0.478 -17.193 1.00 0.00 C ATOM 1277 CG PRO A 86 -1.487 -1.192 -18.497 1.00 0.00 C ATOM 1278 CD PRO A 86 -2.945 -1.620 -18.457 1.00 0.00 C ATOM 0 HA PRO A 86 -2.473 -0.332 -15.471 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -0.615 0.440 -17.375 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -0.560 -1.102 -16.543 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -1.306 -0.533 -19.346 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -0.838 -2.059 -18.623 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -3.496 -1.230 -19.313 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -3.040 -2.706 -18.484 1.00 0.00 H new ATOM 1286 N GLN A 87 -3.606 1.791 -15.683 1.00 0.00 N ATOM 1287 CA GLN A 87 -4.075 3.166 -15.701 1.00 0.00 C ATOM 1288 C GLN A 87 -3.261 4.017 -14.725 1.00 0.00 C ATOM 1289 O GLN A 87 -3.310 3.800 -13.515 1.00 0.00 O ATOM 1290 CB GLN A 87 -5.569 3.240 -15.378 1.00 0.00 C ATOM 1291 CG GLN A 87 -6.385 3.569 -16.630 1.00 0.00 C ATOM 1292 CD GLN A 87 -6.329 5.065 -16.943 1.00 0.00 C ATOM 1293 OE1 GLN A 87 -5.282 5.692 -16.922 1.00 0.00 O ATOM 1294 NE2 GLN A 87 -7.511 5.601 -17.235 1.00 0.00 N ATOM 0 H GLN A 87 -3.825 1.277 -14.830 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.934 3.564 -16.706 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.902 2.289 -14.962 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.743 4.000 -14.616 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -6.001 3.002 -17.478 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.421 3.263 -16.484 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -8.349 5.019 -17.235 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -7.579 6.594 -17.459 1.00 0.00 H new ATOM 1303 N GLU A 88 -2.529 4.969 -15.287 1.00 0.00 N ATOM 1304 CA GLU A 88 -1.705 5.854 -14.482 1.00 0.00 C ATOM 1305 C GLU A 88 -2.314 7.257 -14.443 1.00 0.00 C ATOM 1306 O GLU A 88 -2.117 8.049 -15.363 1.00 0.00 O ATOM 1307 CB GLU A 88 -0.269 5.894 -15.007 1.00 0.00 C ATOM 1308 CG GLU A 88 0.698 6.371 -13.922 1.00 0.00 C ATOM 1309 CD GLU A 88 2.146 6.046 -14.296 1.00 0.00 C ATOM 1310 OE1 GLU A 88 2.680 6.760 -15.172 1.00 0.00 O ATOM 1311 OE2 GLU A 88 2.685 5.090 -13.698 1.00 0.00 O ATOM 0 H GLU A 88 -2.490 5.146 -16.291 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.674 5.464 -13.465 1.00 0.00 H new ATOM 0 HB2 GLU A 88 0.024 4.902 -15.350 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.211 6.559 -15.869 1.00 0.00 H new ATOM 0 HG2 GLU A 88 0.588 7.446 -13.779 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.448 5.896 -12.973 1.00 0.00 H new ATOM 1318 N HIS A 89 -3.042 7.521 -13.368 1.00 0.00 N ATOM 1319 CA HIS A 89 -3.682 8.815 -13.196 1.00 0.00 C ATOM 1320 C HIS A 89 -2.666 9.821 -12.651 1.00 0.00 C ATOM 1321 O HIS A 89 -2.175 9.668 -11.533 1.00 0.00 O ATOM 1322 CB HIS A 89 -4.927 8.693 -12.316 1.00 0.00 C ATOM 1323 CG HIS A 89 -6.178 8.313 -13.072 1.00 0.00 C ATOM 1324 ND1 HIS A 89 -7.075 9.250 -13.556 1.00 0.00 N ATOM 1325 CD2 HIS A 89 -6.671 7.091 -13.422 1.00 0.00 C ATOM 1326 CE1 HIS A 89 -8.060 8.608 -14.168 1.00 0.00 C ATOM 1327 NE2 HIS A 89 -7.808 7.271 -14.083 1.00 0.00 N ATOM 0 H HIS A 89 -3.203 6.861 -12.607 1.00 0.00 H new ATOM 0 HA HIS A 89 -4.026 9.186 -14.161 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -4.741 7.947 -11.543 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -5.096 9.643 -11.809 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -6.214 6.138 -13.199 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -8.912 9.064 -14.649 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -8.397 6.530 -14.465 1.00 0.00 H new ATOM 1335 N ARG A 90 -2.382 10.827 -13.465 1.00 0.00 N ATOM 1336 CA ARG A 90 -1.434 11.858 -13.077 1.00 0.00 C ATOM 1337 C ARG A 90 -2.175 13.123 -12.641 1.00 0.00 C ATOM 1338 O ARG A 90 -3.121 13.551 -13.300 1.00 0.00 O ATOM 1339 CB ARG A 90 -0.490 12.200 -14.232 1.00 0.00 C ATOM 1340 CG ARG A 90 0.669 11.204 -14.306 1.00 0.00 C ATOM 1341 CD ARG A 90 1.739 11.681 -15.291 1.00 0.00 C ATOM 1342 NE ARG A 90 2.774 12.461 -14.576 1.00 0.00 N ATOM 1343 CZ ARG A 90 3.661 11.929 -13.725 1.00 0.00 C ATOM 1344 NH1 ARG A 90 3.646 10.613 -13.477 1.00 0.00 N ATOM 1345 NH2 ARG A 90 4.564 12.714 -13.121 1.00 0.00 N ATOM 0 H ARG A 90 -2.791 10.950 -14.391 1.00 0.00 H new ATOM 0 HA ARG A 90 -0.846 11.472 -12.244 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.042 12.192 -15.172 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -0.099 13.209 -14.100 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.110 11.079 -13.317 1.00 0.00 H new ATOM 0 HG3 ARG A 90 0.295 10.228 -14.614 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.196 10.825 -15.787 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.282 12.294 -16.068 1.00 0.00 H new ATOM 0 HE ARG A 90 2.814 13.467 -14.742 1.00 0.00 H new ATOM 0 HH11 ARG A 90 2.959 10.015 -13.936 1.00 0.00 H new ATOM 0 HH12 ARG A 90 4.322 10.208 -12.829 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.576 13.716 -13.309 1.00 0.00 H new ATOM 0 HH22 ARG A 90 5.240 12.309 -12.473 1.00 0.00 H new ATOM 1359 N ASN A 91 -1.716 13.687 -11.533 1.00 0.00 N ATOM 1360 CA ASN A 91 -2.323 14.895 -11.001 1.00 0.00 C ATOM 1361 C ASN A 91 -3.770 14.599 -10.601 1.00 0.00 C ATOM 1362 O ASN A 91 -4.690 14.796 -11.394 1.00 0.00 O ATOM 1363 CB ASN A 91 -2.341 16.010 -12.048 1.00 0.00 C ATOM 1364 CG ASN A 91 -0.943 16.242 -12.626 1.00 0.00 C ATOM 1365 OD1 ASN A 91 0.065 15.880 -12.042 1.00 0.00 O ATOM 1366 ND2 ASN A 91 -0.940 16.864 -13.801 1.00 0.00 N ATOM 0 H ASN A 91 -0.931 13.329 -10.989 1.00 0.00 H new ATOM 0 HA ASN A 91 -1.735 15.217 -10.141 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.031 15.749 -12.850 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.710 16.931 -11.597 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -0.056 17.066 -14.269 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -1.821 17.140 -14.234 1.00 0.00 H new ATOM 1373 N MET A 92 -3.927 14.132 -9.371 1.00 0.00 N ATOM 1374 CA MET A 92 -5.247 13.807 -8.856 1.00 0.00 C ATOM 1375 C MET A 92 -5.395 14.262 -7.403 1.00 0.00 C ATOM 1376 O MET A 92 -4.534 13.984 -6.571 1.00 0.00 O ATOM 1377 CB MET A 92 -5.472 12.296 -8.944 1.00 0.00 C ATOM 1378 CG MET A 92 -6.173 11.922 -10.251 1.00 0.00 C ATOM 1379 SD MET A 92 -7.928 12.216 -10.109 1.00 0.00 S ATOM 1380 CE MET A 92 -8.412 10.764 -9.190 1.00 0.00 C ATOM 0 H MET A 92 -3.162 13.971 -8.716 1.00 0.00 H new ATOM 0 HA MET A 92 -5.990 14.329 -9.458 1.00 0.00 H new ATOM 0 HB2 MET A 92 -4.515 11.778 -8.879 1.00 0.00 H new ATOM 0 HB3 MET A 92 -6.073 11.964 -8.097 1.00 0.00 H new ATOM 0 HG2 MET A 92 -5.763 12.508 -11.074 1.00 0.00 H new ATOM 0 HG3 MET A 92 -5.989 10.873 -10.484 1.00 0.00 H new ATOM 0 HE1 MET A 92 -9.434 10.492 -9.452 1.00 0.00 H new ATOM 0 HE2 MET A 92 -7.743 9.939 -9.434 1.00 0.00 H new ATOM 0 HE3 MET A 92 -8.355 10.974 -8.122 1.00 0.00 H new ATOM 1390 N PRO A 93 -6.524 14.973 -7.136 1.00 0.00 N ATOM 1391 CA PRO A 93 -6.796 15.469 -5.798 1.00 0.00 C ATOM 1392 C PRO A 93 -7.249 14.336 -4.875 1.00 0.00 C ATOM 1393 O PRO A 93 -7.965 13.431 -5.301 1.00 0.00 O ATOM 1394 CB PRO A 93 -7.856 16.542 -5.985 1.00 0.00 C ATOM 1395 CG PRO A 93 -8.472 16.287 -7.351 1.00 0.00 C ATOM 1396 CD PRO A 93 -7.566 15.321 -8.097 1.00 0.00 C ATOM 0 HA PRO A 93 -5.911 15.882 -5.314 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.610 16.487 -5.200 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -7.416 17.538 -5.935 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -9.473 15.868 -7.246 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -8.573 17.220 -7.905 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.114 14.437 -8.425 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -7.144 15.783 -8.989 1.00 0.00 H new ATOM 1404 N GLN A 94 -6.813 14.422 -3.627 1.00 0.00 N ATOM 1405 CA GLN A 94 -7.165 13.416 -2.639 1.00 0.00 C ATOM 1406 C GLN A 94 -8.614 12.964 -2.835 1.00 0.00 C ATOM 1407 O GLN A 94 -8.868 11.805 -3.158 1.00 0.00 O ATOM 1408 CB GLN A 94 -6.940 13.939 -1.219 1.00 0.00 C ATOM 1409 CG GLN A 94 -5.799 13.186 -0.532 1.00 0.00 C ATOM 1410 CD GLN A 94 -4.527 14.036 -0.493 1.00 0.00 C ATOM 1411 OE1 GLN A 94 -4.221 14.784 -1.408 1.00 0.00 O ATOM 1412 NE2 GLN A 94 -3.806 13.881 0.614 1.00 0.00 N ATOM 0 H GLN A 94 -6.219 15.173 -3.277 1.00 0.00 H new ATOM 0 HA GLN A 94 -6.514 12.553 -2.779 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.710 15.004 -1.252 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.855 13.829 -0.638 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.094 12.919 0.483 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.602 12.254 -1.062 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -4.120 13.238 1.341 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -2.939 14.405 0.736 1.00 0.00 H new ATOM 1421 N ALA A 95 -9.526 13.904 -2.630 1.00 0.00 N ATOM 1422 CA ALA A 95 -10.942 13.617 -2.779 1.00 0.00 C ATOM 1423 C ALA A 95 -11.145 12.675 -3.968 1.00 0.00 C ATOM 1424 O ALA A 95 -11.595 11.543 -3.797 1.00 0.00 O ATOM 1425 CB ALA A 95 -11.715 14.928 -2.936 1.00 0.00 C ATOM 0 H ALA A 95 -9.311 14.864 -2.362 1.00 0.00 H new ATOM 0 HA ALA A 95 -11.327 13.115 -1.891 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -12.778 14.713 -3.048 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -11.561 15.549 -2.053 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -11.357 15.458 -3.819 1.00 0.00 H new ATOM 1431 N ASP A 96 -10.803 13.178 -5.145 1.00 0.00 N ATOM 1432 CA ASP A 96 -10.942 12.395 -6.361 1.00 0.00 C ATOM 1433 C ASP A 96 -10.211 11.062 -6.191 1.00 0.00 C ATOM 1434 O ASP A 96 -10.774 10.002 -6.463 1.00 0.00 O ATOM 1435 CB ASP A 96 -10.325 13.123 -7.558 1.00 0.00 C ATOM 1436 CG ASP A 96 -10.833 12.663 -8.926 1.00 0.00 C ATOM 1437 OD1 ASP A 96 -11.558 11.645 -8.949 1.00 0.00 O ATOM 1438 OD2 ASP A 96 -10.484 13.339 -9.917 1.00 0.00 O ATOM 0 H ASP A 96 -10.430 14.117 -5.282 1.00 0.00 H new ATOM 0 HA ASP A 96 -12.006 12.239 -6.542 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -10.520 14.190 -7.455 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.243 12.992 -7.526 1.00 0.00 H new ATOM 1443 N ALA A 97 -8.968 11.158 -5.742 1.00 0.00 N ATOM 1444 CA ALA A 97 -8.155 9.972 -5.532 1.00 0.00 C ATOM 1445 C ALA A 97 -8.941 8.961 -4.695 1.00 0.00 C ATOM 1446 O ALA A 97 -8.947 7.769 -5.000 1.00 0.00 O ATOM 1447 CB ALA A 97 -6.832 10.371 -4.874 1.00 0.00 C ATOM 0 H ALA A 97 -8.504 12.038 -5.518 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.916 9.497 -6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -6.222 9.482 -4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.299 11.067 -5.522 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.032 10.849 -3.915 1.00 0.00 H new ATOM 1453 N MET A 98 -9.584 9.474 -3.656 1.00 0.00 N ATOM 1454 CA MET A 98 -10.372 8.630 -2.773 1.00 0.00 C ATOM 1455 C MET A 98 -11.552 8.005 -3.520 1.00 0.00 C ATOM 1456 O MET A 98 -12.020 6.927 -3.158 1.00 0.00 O ATOM 1457 CB MET A 98 -10.893 9.464 -1.601 1.00 0.00 C ATOM 1458 CG MET A 98 -9.750 9.881 -0.674 1.00 0.00 C ATOM 1459 SD MET A 98 -8.940 8.433 -0.014 1.00 0.00 S ATOM 1460 CE MET A 98 -7.264 8.749 -0.539 1.00 0.00 C ATOM 0 H MET A 98 -9.576 10.463 -3.406 1.00 0.00 H new ATOM 0 HA MET A 98 -9.734 7.827 -2.404 1.00 0.00 H new ATOM 0 HB2 MET A 98 -11.401 10.351 -1.979 1.00 0.00 H new ATOM 0 HB3 MET A 98 -11.630 8.889 -1.040 1.00 0.00 H new ATOM 0 HG2 MET A 98 -9.032 10.492 -1.221 1.00 0.00 H new ATOM 0 HG3 MET A 98 -10.136 10.495 0.140 1.00 0.00 H new ATOM 0 HE1 MET A 98 -6.574 8.463 0.255 1.00 0.00 H new ATOM 0 HE2 MET A 98 -7.048 8.167 -1.435 1.00 0.00 H new ATOM 0 HE3 MET A 98 -7.145 9.810 -0.758 1.00 0.00 H new ATOM 1470 N VAL A 99 -11.999 8.709 -4.550 1.00 0.00 N ATOM 1471 CA VAL A 99 -13.115 8.237 -5.351 1.00 0.00 C ATOM 1472 C VAL A 99 -12.604 7.243 -6.395 1.00 0.00 C ATOM 1473 O VAL A 99 -13.202 6.188 -6.598 1.00 0.00 O ATOM 1474 CB VAL A 99 -13.856 9.425 -5.969 1.00 0.00 C ATOM 1475 CG1 VAL A 99 -13.620 9.492 -7.479 1.00 0.00 C ATOM 1476 CG2 VAL A 99 -15.351 9.367 -5.649 1.00 0.00 C ATOM 0 H VAL A 99 -11.608 9.603 -4.848 1.00 0.00 H new ATOM 0 HA VAL A 99 -13.837 7.710 -4.727 1.00 0.00 H new ATOM 0 HB VAL A 99 -13.455 10.337 -5.526 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -14.157 10.345 -7.894 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -12.554 9.604 -7.676 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -13.980 8.575 -7.945 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -15.853 10.223 -6.100 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -15.773 8.446 -6.050 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -15.493 9.391 -4.569 1.00 0.00 H new ATOM 1486 N LEU A 100 -11.502 7.615 -7.030 1.00 0.00 N ATOM 1487 CA LEU A 100 -10.903 6.769 -8.048 1.00 0.00 C ATOM 1488 C LEU A 100 -10.448 5.455 -7.410 1.00 0.00 C ATOM 1489 O LEU A 100 -10.399 4.422 -8.076 1.00 0.00 O ATOM 1490 CB LEU A 100 -9.786 7.517 -8.777 1.00 0.00 C ATOM 1491 CG LEU A 100 -8.667 6.651 -9.360 1.00 0.00 C ATOM 1492 CD1 LEU A 100 -8.512 6.894 -10.863 1.00 0.00 C ATOM 1493 CD2 LEU A 100 -7.354 6.869 -8.605 1.00 0.00 C ATOM 0 H LEU A 100 -11.008 8.491 -6.859 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.637 6.515 -8.813 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.231 8.094 -9.587 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -9.342 8.231 -8.084 1.00 0.00 H new ATOM 0 HG LEU A 100 -8.942 5.604 -9.230 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.710 6.266 -11.252 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.445 6.647 -11.370 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -8.270 7.942 -11.039 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -6.576 6.242 -9.040 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.060 7.916 -8.681 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.489 6.605 -7.556 1.00 0.00 H new ATOM 1505 N VAL A 101 -10.128 5.536 -6.127 1.00 0.00 N ATOM 1506 CA VAL A 101 -9.679 4.366 -5.392 1.00 0.00 C ATOM 1507 C VAL A 101 -10.893 3.628 -4.826 1.00 0.00 C ATOM 1508 O VAL A 101 -11.019 2.415 -4.990 1.00 0.00 O ATOM 1509 CB VAL A 101 -8.675 4.779 -4.313 1.00 0.00 C ATOM 1510 CG1 VAL A 101 -9.389 5.141 -3.009 1.00 0.00 C ATOM 1511 CG2 VAL A 101 -7.635 3.681 -4.083 1.00 0.00 C ATOM 0 H VAL A 101 -10.171 6.394 -5.577 1.00 0.00 H new ATOM 0 HA VAL A 101 -9.158 3.675 -6.055 1.00 0.00 H new ATOM 0 HB VAL A 101 -8.151 5.668 -4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.653 5.431 -2.259 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -10.072 5.972 -3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -9.952 4.279 -2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -6.934 4.000 -3.312 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.135 2.767 -3.763 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -7.094 3.493 -5.010 1.00 0.00 H new ATOM 1521 N ALA A 102 -11.757 4.390 -4.171 1.00 0.00 N ATOM 1522 CA ALA A 102 -12.958 3.823 -3.581 1.00 0.00 C ATOM 1523 C ALA A 102 -13.790 3.149 -4.674 1.00 0.00 C ATOM 1524 O ALA A 102 -14.398 2.105 -4.441 1.00 0.00 O ATOM 1525 CB ALA A 102 -13.734 4.919 -2.849 1.00 0.00 C ATOM 0 H ALA A 102 -11.649 5.395 -4.036 1.00 0.00 H new ATOM 0 HA ALA A 102 -12.701 3.060 -2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.635 4.494 -2.407 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.110 5.344 -2.063 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -14.011 5.702 -3.555 1.00 0.00 H new ATOM 1531 N ARG A 103 -13.789 3.773 -5.842 1.00 0.00 N ATOM 1532 CA ARG A 103 -14.537 3.247 -6.972 1.00 0.00 C ATOM 1533 C ARG A 103 -13.859 1.988 -7.516 1.00 0.00 C ATOM 1534 O ARG A 103 -14.391 0.886 -7.386 1.00 0.00 O ATOM 1535 CB ARG A 103 -14.645 4.284 -8.092 1.00 0.00 C ATOM 1536 CG ARG A 103 -15.574 5.431 -7.689 1.00 0.00 C ATOM 1537 CD ARG A 103 -16.885 5.376 -8.476 1.00 0.00 C ATOM 1538 NE ARG A 103 -16.650 5.783 -9.879 1.00 0.00 N ATOM 1539 CZ ARG A 103 -16.502 7.054 -10.278 1.00 0.00 C ATOM 1540 NH1 ARG A 103 -16.564 8.049 -9.383 1.00 0.00 N ATOM 1541 NH2 ARG A 103 -16.292 7.330 -11.573 1.00 0.00 N ATOM 0 H ARG A 103 -13.282 4.638 -6.031 1.00 0.00 H new ATOM 0 HA ARG A 103 -15.540 3.002 -6.621 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -13.656 4.677 -8.325 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -15.020 3.808 -8.998 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -15.784 5.376 -6.621 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -15.078 6.385 -7.867 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -17.295 4.367 -8.445 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -17.623 6.034 -8.016 1.00 0.00 H new ATOM 0 HE ARG A 103 -16.597 5.050 -10.587 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -16.724 7.839 -8.398 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -16.451 9.016 -9.687 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -16.245 6.573 -12.255 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -16.179 8.297 -11.877 1.00 0.00 H new ATOM 1555 N ASN A 104 -12.695 2.193 -8.116 1.00 0.00 N ATOM 1556 CA ASN A 104 -11.939 1.088 -8.680 1.00 0.00 C ATOM 1557 C ASN A 104 -11.931 -0.078 -7.689 1.00 0.00 C ATOM 1558 O ASN A 104 -12.366 -1.180 -8.018 1.00 0.00 O ATOM 1559 CB ASN A 104 -10.488 1.492 -8.947 1.00 0.00 C ATOM 1560 CG ASN A 104 -10.328 2.058 -10.360 1.00 0.00 C ATOM 1561 OD1 ASN A 104 -9.892 1.386 -11.280 1.00 0.00 O ATOM 1562 ND2 ASN A 104 -10.703 3.328 -10.480 1.00 0.00 N ATOM 0 H ASN A 104 -12.257 3.108 -8.224 1.00 0.00 H new ATOM 0 HA ASN A 104 -12.412 0.801 -9.619 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -10.173 2.236 -8.215 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -9.837 0.627 -8.822 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -10.634 3.797 -11.383 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -11.060 3.833 -9.669 1.00 0.00 H new ATOM 1569 N TYR A 105 -11.430 0.206 -6.496 1.00 0.00 N ATOM 1570 CA TYR A 105 -11.359 -0.805 -5.454 1.00 0.00 C ATOM 1571 C TYR A 105 -12.624 -1.665 -5.438 1.00 0.00 C ATOM 1572 O TYR A 105 -12.546 -2.891 -5.501 1.00 0.00 O ATOM 1573 CB TYR A 105 -11.258 -0.042 -4.132 1.00 0.00 C ATOM 1574 CG TYR A 105 -11.326 -0.935 -2.892 1.00 0.00 C ATOM 1575 CD1 TYR A 105 -10.915 -2.251 -2.965 1.00 0.00 C ATOM 1576 CD2 TYR A 105 -11.798 -0.426 -1.700 1.00 0.00 C ATOM 1577 CE1 TYR A 105 -10.978 -3.091 -1.798 1.00 0.00 C ATOM 1578 CE2 TYR A 105 -11.862 -1.266 -0.532 1.00 0.00 C ATOM 1579 CZ TYR A 105 -11.449 -2.558 -0.639 1.00 0.00 C ATOM 1580 OH TYR A 105 -11.509 -3.351 0.464 1.00 0.00 O ATOM 0 H TYR A 105 -11.069 1.121 -6.227 1.00 0.00 H new ATOM 0 HA TYR A 105 -10.510 -1.468 -5.620 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.321 0.514 -4.116 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -12.064 0.690 -4.084 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -10.546 -2.650 -3.898 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -12.120 0.603 -1.643 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -10.658 -4.122 -1.842 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -12.229 -0.879 0.407 1.00 0.00 H new ATOM 0 HH TYR A 105 -11.864 -2.836 1.218 1.00 0.00 H new ATOM 1590 N GLU A 106 -13.760 -0.989 -5.353 1.00 0.00 N ATOM 1591 CA GLU A 106 -15.040 -1.676 -5.328 1.00 0.00 C ATOM 1592 C GLU A 106 -15.120 -2.692 -6.469 1.00 0.00 C ATOM 1593 O GLU A 106 -15.087 -3.899 -6.233 1.00 0.00 O ATOM 1594 CB GLU A 106 -16.199 -0.680 -5.399 1.00 0.00 C ATOM 1595 CG GLU A 106 -16.316 0.119 -4.099 1.00 0.00 C ATOM 1596 CD GLU A 106 -17.536 -0.327 -3.290 1.00 0.00 C ATOM 1597 OE1 GLU A 106 -17.704 -1.558 -3.148 1.00 0.00 O ATOM 1598 OE2 GLU A 106 -18.273 0.573 -2.832 1.00 0.00 O ATOM 0 H GLU A 106 -13.821 0.028 -5.301 1.00 0.00 H new ATOM 0 HA GLU A 106 -15.123 -2.213 -4.383 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -16.047 0.001 -6.236 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -17.131 -1.214 -5.587 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -15.412 -0.013 -3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -16.395 1.182 -4.327 1.00 0.00 H new ATOM 1605 N ARG A 107 -15.222 -2.167 -7.681 1.00 0.00 N ATOM 1606 CA ARG A 107 -15.307 -3.013 -8.859 1.00 0.00 C ATOM 1607 C ARG A 107 -14.310 -4.169 -8.754 1.00 0.00 C ATOM 1608 O ARG A 107 -14.698 -5.335 -8.818 1.00 0.00 O ATOM 1609 CB ARG A 107 -15.020 -2.214 -10.132 1.00 0.00 C ATOM 1610 CG ARG A 107 -16.184 -2.321 -11.120 1.00 0.00 C ATOM 1611 CD ARG A 107 -17.178 -1.175 -10.921 1.00 0.00 C ATOM 1612 NE ARG A 107 -18.236 -1.238 -11.954 1.00 0.00 N ATOM 1613 CZ ARG A 107 -19.246 -0.363 -12.049 1.00 0.00 C ATOM 1614 NH1 ARG A 107 -19.341 0.648 -11.175 1.00 0.00 N ATOM 1615 NH2 ARG A 107 -20.161 -0.498 -13.019 1.00 0.00 N ATOM 0 H ARG A 107 -15.248 -1.166 -7.873 1.00 0.00 H new ATOM 0 HA ARG A 107 -16.322 -3.408 -8.913 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -14.849 -1.168 -9.878 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -14.107 -2.583 -10.599 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -15.802 -2.303 -12.141 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -16.693 -3.276 -10.987 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -17.623 -1.237 -9.928 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -16.659 -0.218 -10.978 1.00 0.00 H new ATOM 0 HE ARG A 107 -18.194 -1.995 -12.636 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -18.644 0.752 -10.437 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -20.110 1.314 -11.247 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -20.088 -1.267 -13.685 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -20.930 0.168 -13.091 1.00 0.00 H new ATOM 1629 N TYR A 108 -13.046 -3.806 -8.596 1.00 0.00 N ATOM 1630 CA TYR A 108 -11.991 -4.799 -8.482 1.00 0.00 C ATOM 1631 C TYR A 108 -12.364 -5.881 -7.468 1.00 0.00 C ATOM 1632 O TYR A 108 -11.926 -7.025 -7.585 1.00 0.00 O ATOM 1633 CB TYR A 108 -10.758 -4.047 -7.978 1.00 0.00 C ATOM 1634 CG TYR A 108 -9.741 -4.933 -7.255 1.00 0.00 C ATOM 1635 CD1 TYR A 108 -9.912 -5.230 -5.918 1.00 0.00 C ATOM 1636 CD2 TYR A 108 -8.654 -5.437 -7.941 1.00 0.00 C ATOM 1637 CE1 TYR A 108 -8.955 -6.064 -5.238 1.00 0.00 C ATOM 1638 CE2 TYR A 108 -7.697 -6.271 -7.260 1.00 0.00 C ATOM 1639 CZ TYR A 108 -7.895 -6.543 -5.943 1.00 0.00 C ATOM 1640 OH TYR A 108 -6.992 -7.331 -5.300 1.00 0.00 O ATOM 0 H TYR A 108 -12.728 -2.838 -8.544 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.819 -5.289 -9.440 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -10.268 -3.565 -8.824 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -11.079 -3.255 -7.302 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -10.763 -4.837 -5.382 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -8.521 -5.206 -8.988 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -9.076 -6.304 -4.192 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -6.842 -6.671 -7.784 1.00 0.00 H new ATOM 0 HH TYR A 108 -6.289 -7.601 -5.927 1.00 0.00 H new ATOM 1650 N LYS A 109 -13.170 -5.483 -6.494 1.00 0.00 N ATOM 1651 CA LYS A 109 -13.606 -6.405 -5.460 1.00 0.00 C ATOM 1652 C LYS A 109 -14.776 -7.239 -5.986 1.00 0.00 C ATOM 1653 O LYS A 109 -14.851 -8.440 -5.732 1.00 0.00 O ATOM 1654 CB LYS A 109 -13.923 -5.649 -4.167 1.00 0.00 C ATOM 1655 CG LYS A 109 -12.891 -5.964 -3.082 1.00 0.00 C ATOM 1656 CD LYS A 109 -13.543 -5.990 -1.698 1.00 0.00 C ATOM 1657 CE LYS A 109 -14.275 -4.677 -1.412 1.00 0.00 C ATOM 1658 NZ LYS A 109 -14.856 -4.694 -0.051 1.00 0.00 N ATOM 0 H LYS A 109 -13.532 -4.534 -6.400 1.00 0.00 H new ATOM 0 HA LYS A 109 -12.805 -7.101 -5.208 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.935 -4.577 -4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -14.919 -5.921 -3.817 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -12.425 -6.928 -3.287 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -12.098 -5.216 -3.101 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -14.245 -6.822 -1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.782 -6.159 -0.937 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -13.584 -3.840 -1.508 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.064 -4.525 -2.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.349 -3.796 0.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.531 -5.481 0.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.097 -4.817 0.649 1.00 0.00 H new ATOM 1672 N ASN A 110 -15.660 -6.568 -6.711 1.00 0.00 N ATOM 1673 CA ASN A 110 -16.822 -7.232 -7.276 1.00 0.00 C ATOM 1674 C ASN A 110 -16.371 -8.476 -8.044 1.00 0.00 C ATOM 1675 O ASN A 110 -17.086 -9.476 -8.089 1.00 0.00 O ATOM 1676 CB ASN A 110 -17.560 -6.315 -8.253 1.00 0.00 C ATOM 1677 CG ASN A 110 -18.214 -5.143 -7.518 1.00 0.00 C ATOM 1678 OD1 ASN A 110 -18.479 -5.193 -6.329 1.00 0.00 O ATOM 1679 ND2 ASN A 110 -18.459 -4.089 -8.291 1.00 0.00 N ATOM 0 H ASN A 110 -15.594 -5.572 -6.920 1.00 0.00 H new ATOM 0 HA ASN A 110 -17.490 -7.497 -6.456 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -16.862 -5.937 -9.000 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -18.321 -6.884 -8.787 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -18.894 -3.256 -7.895 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -18.212 -4.113 -9.280 1.00 0.00 H new ATOM 1686 N GLU A 111 -15.186 -8.374 -8.628 1.00 0.00 N ATOM 1687 CA GLU A 111 -14.631 -9.479 -9.391 1.00 0.00 C ATOM 1688 C GLU A 111 -13.917 -10.462 -8.461 1.00 0.00 C ATOM 1689 O GLU A 111 -13.800 -11.645 -8.775 1.00 0.00 O ATOM 1690 CB GLU A 111 -13.685 -8.971 -10.481 1.00 0.00 C ATOM 1691 CG GLU A 111 -14.434 -8.109 -11.500 1.00 0.00 C ATOM 1692 CD GLU A 111 -13.530 -7.006 -12.055 1.00 0.00 C ATOM 1693 OE1 GLU A 111 -13.111 -6.153 -11.243 1.00 0.00 O ATOM 1694 OE2 GLU A 111 -13.279 -7.041 -13.279 1.00 0.00 O ATOM 0 H GLU A 111 -14.595 -7.544 -8.588 1.00 0.00 H new ATOM 0 HA GLU A 111 -15.451 -10.004 -9.881 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.882 -8.390 -10.028 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -13.220 -9.817 -10.987 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -14.793 -8.735 -12.317 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -15.311 -7.663 -11.030 1.00 0.00 H new ATOM 1701 N CYS A 112 -13.459 -9.935 -7.335 1.00 0.00 N ATOM 1702 CA CYS A 112 -12.761 -10.751 -6.357 1.00 0.00 C ATOM 1703 C CYS A 112 -13.722 -11.832 -5.858 1.00 0.00 C ATOM 1704 O CYS A 112 -13.377 -13.012 -5.836 1.00 0.00 O ATOM 1705 CB CYS A 112 -12.206 -9.906 -5.207 1.00 0.00 C ATOM 1706 SG CYS A 112 -10.783 -8.914 -5.790 1.00 0.00 S ATOM 0 H CYS A 112 -13.558 -8.953 -7.078 1.00 0.00 H new ATOM 0 HA CYS A 112 -11.897 -11.223 -6.825 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -12.984 -9.248 -4.820 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -11.897 -10.553 -4.386 1.00 0.00 H new ATOM 0 HG CYS A 112 -11.215 -7.885 -6.456 1.00 0.00 H new ATOM 1712 N ARG A 113 -14.909 -11.390 -5.471 1.00 0.00 N ATOM 1713 CA ARG A 113 -15.923 -12.305 -4.974 1.00 0.00 C ATOM 1714 C ARG A 113 -15.936 -13.587 -5.809 1.00 0.00 C ATOM 1715 O ARG A 113 -16.185 -14.671 -5.284 1.00 0.00 O ATOM 1716 CB ARG A 113 -17.311 -11.664 -5.016 1.00 0.00 C ATOM 1717 CG ARG A 113 -18.065 -11.902 -3.705 1.00 0.00 C ATOM 1718 CD ARG A 113 -17.994 -10.670 -2.801 1.00 0.00 C ATOM 1719 NE ARG A 113 -19.169 -10.634 -1.901 1.00 0.00 N ATOM 1720 CZ ARG A 113 -19.506 -9.579 -1.147 1.00 0.00 C ATOM 1721 NH1 ARG A 113 -18.760 -8.467 -1.180 1.00 0.00 N ATOM 1722 NH2 ARG A 113 -20.589 -9.637 -0.361 1.00 0.00 N ATOM 0 H ARG A 113 -15.192 -10.410 -5.491 1.00 0.00 H new ATOM 0 HA ARG A 113 -15.676 -12.543 -3.939 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -17.216 -10.593 -5.196 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -17.881 -12.077 -5.848 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -19.107 -12.141 -3.919 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -17.640 -12.762 -3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -17.076 -10.692 -2.214 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -17.962 -9.765 -3.408 1.00 0.00 H new ATOM 0 HE ARG A 113 -19.759 -11.465 -1.852 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -17.936 -8.424 -1.779 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -19.016 -7.664 -0.606 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -21.157 -10.484 -0.337 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -20.846 -8.834 0.213 1.00 0.00 H new ATOM 1736 N GLU A 114 -15.663 -13.420 -7.095 1.00 0.00 N ATOM 1737 CA GLU A 114 -15.640 -14.551 -8.007 1.00 0.00 C ATOM 1738 C GLU A 114 -14.597 -15.575 -7.557 1.00 0.00 C ATOM 1739 O GLU A 114 -14.898 -16.762 -7.437 1.00 0.00 O ATOM 1740 CB GLU A 114 -15.374 -14.092 -9.442 1.00 0.00 C ATOM 1741 CG GLU A 114 -15.826 -15.151 -10.450 1.00 0.00 C ATOM 1742 CD GLU A 114 -16.790 -14.554 -11.477 1.00 0.00 C ATOM 1743 OE1 GLU A 114 -17.831 -14.022 -11.036 1.00 0.00 O ATOM 1744 OE2 GLU A 114 -16.464 -14.644 -12.680 1.00 0.00 O ATOM 0 H GLU A 114 -15.456 -12.519 -7.527 1.00 0.00 H new ATOM 0 HA GLU A 114 -16.620 -15.028 -7.988 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -15.900 -13.156 -9.632 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -14.311 -13.892 -9.572 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -14.957 -15.567 -10.960 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -16.312 -15.974 -9.925 1.00 0.00 H new ATOM 1751 N LYS A 115 -13.391 -15.079 -7.320 1.00 0.00 N ATOM 1752 CA LYS A 115 -12.301 -15.937 -6.885 1.00 0.00 C ATOM 1753 C LYS A 115 -12.446 -16.219 -5.388 1.00 0.00 C ATOM 1754 O LYS A 115 -11.644 -15.746 -4.584 1.00 0.00 O ATOM 1755 CB LYS A 115 -10.952 -15.325 -7.268 1.00 0.00 C ATOM 1756 CG LYS A 115 -10.222 -16.202 -8.287 1.00 0.00 C ATOM 1757 CD LYS A 115 -9.152 -17.058 -7.607 1.00 0.00 C ATOM 1758 CE LYS A 115 -7.752 -16.662 -8.077 1.00 0.00 C ATOM 1759 NZ LYS A 115 -6.840 -16.510 -6.921 1.00 0.00 N ATOM 0 H LYS A 115 -13.145 -14.094 -7.421 1.00 0.00 H new ATOM 0 HA LYS A 115 -12.345 -16.898 -7.397 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -11.105 -14.329 -7.684 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -10.336 -15.207 -6.377 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -10.938 -16.846 -8.797 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -9.760 -15.573 -9.048 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -9.222 -16.943 -6.525 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -9.329 -18.111 -7.828 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -7.363 -17.419 -8.757 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -7.800 -15.727 -8.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -5.894 -16.241 -7.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -7.204 -15.771 -6.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -6.780 -17.411 -6.405 1.00 0.00 H new ATOM 1773 N GLU A 116 -13.474 -16.987 -5.060 1.00 0.00 N ATOM 1774 CA GLU A 116 -13.733 -17.338 -3.674 1.00 0.00 C ATOM 1775 C GLU A 116 -15.036 -18.132 -3.562 1.00 0.00 C ATOM 1776 O GLU A 116 -15.739 -18.321 -4.554 1.00 0.00 O ATOM 1777 CB GLU A 116 -13.776 -16.089 -2.791 1.00 0.00 C ATOM 1778 CG GLU A 116 -12.512 -15.980 -1.935 1.00 0.00 C ATOM 1779 CD GLU A 116 -12.695 -16.694 -0.595 1.00 0.00 C ATOM 1780 OE1 GLU A 116 -13.609 -16.279 0.150 1.00 0.00 O ATOM 1781 OE2 GLU A 116 -11.916 -17.640 -0.345 1.00 0.00 O ATOM 0 H GLU A 116 -14.137 -17.376 -5.730 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.915 -17.966 -3.320 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -13.875 -15.201 -3.415 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -14.654 -16.125 -2.146 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.667 -16.414 -2.470 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -12.275 -14.930 -1.762 1.00 0.00 H new ATOM 1788 N ARG A 117 -15.319 -18.576 -2.347 1.00 0.00 N ATOM 1789 CA ARG A 117 -16.525 -19.346 -2.093 1.00 0.00 C ATOM 1790 C ARG A 117 -17.671 -18.842 -2.972 1.00 0.00 C ATOM 1791 O ARG A 117 -17.808 -17.640 -3.191 1.00 0.00 O ATOM 1792 CB ARG A 117 -16.939 -19.252 -0.623 1.00 0.00 C ATOM 1793 CG ARG A 117 -15.916 -19.941 0.281 1.00 0.00 C ATOM 1794 CD ARG A 117 -16.012 -19.420 1.716 1.00 0.00 C ATOM 1795 NE ARG A 117 -17.213 -19.976 2.378 1.00 0.00 N ATOM 1796 CZ ARG A 117 -17.378 -20.039 3.706 1.00 0.00 C ATOM 1797 NH1 ARG A 117 -16.420 -19.580 4.523 1.00 0.00 N ATOM 1798 NH2 ARG A 117 -18.501 -20.561 4.218 1.00 0.00 N ATOM 0 H ARG A 117 -14.734 -18.417 -1.527 1.00 0.00 H new ATOM 0 HA ARG A 117 -16.310 -20.388 -2.332 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -17.037 -18.205 -0.335 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -17.918 -19.712 -0.487 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -16.083 -21.018 0.270 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -14.911 -19.770 -0.105 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -15.118 -19.699 2.273 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -16.059 -18.331 1.714 1.00 0.00 H new ATOM 0 HE ARG A 117 -17.962 -20.334 1.786 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -15.565 -19.183 4.134 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -16.546 -19.628 5.534 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -19.230 -20.911 3.597 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -18.626 -20.609 5.229 1.00 0.00 H new ATOM 1812 N GLU A 118 -18.466 -19.788 -3.452 1.00 0.00 N ATOM 1813 CA GLU A 118 -19.596 -19.455 -4.303 1.00 0.00 C ATOM 1814 C GLU A 118 -20.354 -18.255 -3.732 1.00 0.00 C ATOM 1815 O GLU A 118 -20.187 -17.909 -2.564 1.00 0.00 O ATOM 1816 CB GLU A 118 -20.524 -20.658 -4.477 1.00 0.00 C ATOM 1817 CG GLU A 118 -20.623 -21.066 -5.949 1.00 0.00 C ATOM 1818 CD GLU A 118 -21.514 -22.298 -6.118 1.00 0.00 C ATOM 1819 OE1 GLU A 118 -21.398 -23.204 -5.265 1.00 0.00 O ATOM 1820 OE2 GLU A 118 -22.292 -22.305 -7.096 1.00 0.00 O ATOM 0 H GLU A 118 -18.350 -20.784 -3.268 1.00 0.00 H new ATOM 0 HA GLU A 118 -19.217 -19.185 -5.289 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -20.153 -21.496 -3.888 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -21.516 -20.415 -4.096 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -21.026 -20.239 -6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -19.627 -21.277 -6.339 1.00 0.00 H new ATOM 1827 N GLU A 119 -21.172 -17.653 -4.583 1.00 0.00 N ATOM 1828 CA GLU A 119 -21.957 -16.500 -4.178 1.00 0.00 C ATOM 1829 C GLU A 119 -23.451 -16.823 -4.247 1.00 0.00 C ATOM 1830 O GLU A 119 -24.251 -15.992 -4.675 1.00 0.00 O ATOM 1831 CB GLU A 119 -21.621 -15.279 -5.037 1.00 0.00 C ATOM 1832 CG GLU A 119 -21.530 -14.014 -4.180 1.00 0.00 C ATOM 1833 CD GLU A 119 -22.793 -13.163 -4.324 1.00 0.00 C ATOM 1834 OE1 GLU A 119 -23.154 -12.875 -5.485 1.00 0.00 O ATOM 1835 OE2 GLU A 119 -23.369 -12.819 -3.269 1.00 0.00 O ATOM 0 H GLU A 119 -21.308 -17.942 -5.552 1.00 0.00 H new ATOM 0 HA GLU A 119 -21.705 -16.259 -3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -20.675 -15.442 -5.553 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -22.384 -15.149 -5.804 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -21.389 -14.288 -3.134 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -20.658 -13.431 -4.477 1.00 0.00 H new ATOM 1842 N ILE A 120 -23.782 -18.033 -3.819 1.00 0.00 N ATOM 1843 CA ILE A 120 -25.166 -18.476 -3.827 1.00 0.00 C ATOM 1844 C ILE A 120 -25.960 -17.673 -2.795 1.00 0.00 C ATOM 1845 O ILE A 120 -26.370 -18.211 -1.767 1.00 0.00 O ATOM 1846 CB ILE A 120 -25.244 -19.990 -3.620 1.00 0.00 C ATOM 1847 CG1 ILE A 120 -24.565 -20.736 -4.771 1.00 0.00 C ATOM 1848 CG2 ILE A 120 -26.692 -20.442 -3.419 1.00 0.00 C ATOM 1849 CD1 ILE A 120 -24.135 -22.139 -4.337 1.00 0.00 C ATOM 0 H ILE A 120 -23.116 -18.720 -3.465 1.00 0.00 H new ATOM 0 HA ILE A 120 -25.622 -18.286 -4.799 1.00 0.00 H new ATOM 0 HB ILE A 120 -24.700 -20.239 -2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -25.249 -20.807 -5.617 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -23.695 -20.174 -5.110 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -26.719 -21.522 -3.274 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -27.109 -19.948 -2.542 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -27.281 -20.179 -4.298 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -23.655 -22.648 -5.173 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -23.433 -22.064 -3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -25.010 -22.706 -4.021 1.00 0.00 H new ATOM 1861 N ALA A 121 -26.152 -16.400 -3.104 1.00 0.00 N ATOM 1862 CA ALA A 121 -26.890 -15.517 -2.216 1.00 0.00 C ATOM 1863 C ALA A 121 -27.201 -14.209 -2.947 1.00 0.00 C ATOM 1864 O ALA A 121 -26.975 -13.126 -2.410 1.00 0.00 O ATOM 1865 CB ALA A 121 -26.085 -15.292 -0.935 1.00 0.00 C ATOM 0 H ALA A 121 -25.810 -15.958 -3.957 1.00 0.00 H new ATOM 0 HA ALA A 121 -27.840 -15.968 -1.929 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -26.638 -14.630 -0.269 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -25.916 -16.248 -0.439 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -25.126 -14.838 -1.183 1.00 0.00 H new ATOM 1871 N ARG A 122 -27.713 -14.353 -4.160 1.00 0.00 N ATOM 1872 CA ARG A 122 -28.056 -13.197 -4.970 1.00 0.00 C ATOM 1873 C ARG A 122 -28.802 -13.635 -6.232 1.00 0.00 C ATOM 1874 O ARG A 122 -28.394 -14.583 -6.900 1.00 0.00 O ATOM 1875 CB ARG A 122 -26.805 -12.414 -5.371 1.00 0.00 C ATOM 1876 CG ARG A 122 -27.116 -11.419 -6.491 1.00 0.00 C ATOM 1877 CD ARG A 122 -26.773 -12.010 -7.860 1.00 0.00 C ATOM 1878 NE ARG A 122 -25.390 -11.645 -8.237 1.00 0.00 N ATOM 1879 CZ ARG A 122 -24.790 -12.041 -9.368 1.00 0.00 C ATOM 1880 NH1 ARG A 122 -25.449 -12.817 -10.240 1.00 0.00 N ATOM 1881 NH2 ARG A 122 -23.531 -11.660 -9.628 1.00 0.00 N ATOM 0 H ARG A 122 -27.899 -15.253 -4.602 1.00 0.00 H new ATOM 0 HA ARG A 122 -28.698 -12.551 -4.370 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -26.412 -11.881 -4.505 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -26.029 -13.105 -5.699 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -28.172 -11.151 -6.461 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -26.549 -10.501 -6.335 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -26.877 -13.095 -7.833 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -27.473 -11.641 -8.610 1.00 0.00 H new ATOM 0 HE ARG A 122 -24.860 -11.055 -7.596 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -26.407 -13.106 -10.043 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -24.992 -13.118 -11.101 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -23.030 -11.069 -8.965 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -23.074 -11.961 -10.489 1.00 0.00 H new ATOM 1895 N GLN A 123 -29.881 -12.922 -6.520 1.00 0.00 N ATOM 1896 CA GLN A 123 -30.687 -13.226 -7.691 1.00 0.00 C ATOM 1897 C GLN A 123 -30.862 -11.975 -8.554 1.00 0.00 C ATOM 1898 O GLN A 123 -31.026 -10.873 -8.031 1.00 0.00 O ATOM 1899 CB GLN A 123 -32.044 -13.807 -7.287 1.00 0.00 C ATOM 1900 CG GLN A 123 -32.814 -12.831 -6.394 1.00 0.00 C ATOM 1901 CD GLN A 123 -34.036 -13.508 -5.769 1.00 0.00 C ATOM 1902 OE1 GLN A 123 -34.994 -13.857 -6.438 1.00 0.00 O ATOM 1903 NE2 GLN A 123 -33.949 -13.673 -4.452 1.00 0.00 N ATOM 0 H GLN A 123 -30.216 -12.135 -5.964 1.00 0.00 H new ATOM 0 HA GLN A 123 -30.166 -13.981 -8.280 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -32.629 -14.028 -8.180 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -31.898 -14.750 -6.760 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -32.158 -12.458 -5.607 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -33.132 -11.969 -6.980 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -33.118 -13.357 -3.952 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -34.714 -14.115 -3.942 1.00 0.00 H new ATOM 1912 N ALA A 124 -30.821 -12.186 -9.861 1.00 0.00 N ATOM 1913 CA ALA A 124 -30.972 -11.089 -10.802 1.00 0.00 C ATOM 1914 C ALA A 124 -31.066 -11.650 -12.222 1.00 0.00 C ATOM 1915 O ALA A 124 -31.049 -12.865 -12.416 1.00 0.00 O ATOM 1916 CB ALA A 124 -29.808 -10.111 -10.637 1.00 0.00 C ATOM 0 H ALA A 124 -30.685 -13.101 -10.291 1.00 0.00 H new ATOM 0 HA ALA A 124 -31.891 -10.538 -10.604 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -29.921 -9.288 -11.343 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -29.804 -9.719 -9.620 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -28.868 -10.628 -10.830 1.00 0.00 H new ATOM 1922 N SER A 125 -31.163 -10.739 -13.179 1.00 0.00 N ATOM 1923 CA SER A 125 -31.259 -11.127 -14.576 1.00 0.00 C ATOM 1924 C SER A 125 -29.925 -10.876 -15.282 1.00 0.00 C ATOM 1925 O SER A 125 -29.016 -10.281 -14.706 1.00 0.00 O ATOM 1926 CB SER A 125 -32.385 -10.369 -15.282 1.00 0.00 C ATOM 1927 OG SER A 125 -33.664 -10.932 -15.004 1.00 0.00 O ATOM 0 H SER A 125 -31.177 -9.732 -13.014 1.00 0.00 H new ATOM 0 HA SER A 125 -31.491 -12.191 -14.620 1.00 0.00 H new ATOM 0 HB2 SER A 125 -32.372 -9.325 -14.967 1.00 0.00 H new ATOM 0 HB3 SER A 125 -32.210 -10.380 -16.358 1.00 0.00 H new ATOM 0 HG SER A 125 -34.356 -10.419 -15.471 1.00 0.00 H new ATOM 1933 N GLY A 126 -29.851 -11.343 -16.520 1.00 0.00 N ATOM 1934 CA GLY A 126 -28.643 -11.177 -17.310 1.00 0.00 C ATOM 1935 C GLY A 126 -28.839 -10.113 -18.393 1.00 0.00 C ATOM 1936 O GLY A 126 -29.549 -10.341 -19.371 1.00 0.00 O ATOM 0 H GLY A 126 -30.607 -11.836 -16.995 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -27.815 -10.892 -16.660 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -28.373 -12.126 -17.772 1.00 0.00 H new ATOM 1940 N PRO A 127 -28.179 -8.944 -18.176 1.00 0.00 N ATOM 1941 CA PRO A 127 -28.273 -7.845 -19.121 1.00 0.00 C ATOM 1942 C PRO A 127 -27.438 -8.124 -20.372 1.00 0.00 C ATOM 1943 O PRO A 127 -26.782 -9.160 -20.466 1.00 0.00 O ATOM 1944 CB PRO A 127 -27.800 -6.622 -18.352 1.00 0.00 C ATOM 1945 CG PRO A 127 -27.022 -7.156 -17.159 1.00 0.00 C ATOM 1946 CD PRO A 127 -27.328 -8.639 -17.029 1.00 0.00 C ATOM 0 HA PRO A 127 -29.287 -7.697 -19.493 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -27.171 -5.987 -18.976 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -28.644 -6.014 -18.027 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -25.953 -6.998 -17.299 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -27.306 -6.626 -16.250 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -26.415 -9.234 -17.044 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -27.836 -8.858 -16.090 1.00 0.00 H new ATOM 1954 N SER A 128 -27.489 -7.181 -21.302 1.00 0.00 N ATOM 1955 CA SER A 128 -26.746 -7.313 -22.543 1.00 0.00 C ATOM 1956 C SER A 128 -25.626 -6.271 -22.595 1.00 0.00 C ATOM 1957 O SER A 128 -25.563 -5.380 -21.751 1.00 0.00 O ATOM 1958 CB SER A 128 -27.667 -7.164 -23.756 1.00 0.00 C ATOM 1959 OG SER A 128 -28.073 -5.812 -23.954 1.00 0.00 O ATOM 0 H SER A 128 -28.034 -6.322 -21.220 1.00 0.00 H new ATOM 0 HA SER A 128 -26.308 -8.311 -22.575 1.00 0.00 H new ATOM 0 HB2 SER A 128 -27.153 -7.523 -24.648 1.00 0.00 H new ATOM 0 HB3 SER A 128 -28.548 -7.791 -23.622 1.00 0.00 H new ATOM 0 HG SER A 128 -28.658 -5.758 -24.738 1.00 0.00 H new ATOM 1965 N SER A 129 -24.770 -6.419 -23.596 1.00 0.00 N ATOM 1966 CA SER A 129 -23.657 -5.502 -23.769 1.00 0.00 C ATOM 1967 C SER A 129 -23.640 -4.964 -25.202 1.00 0.00 C ATOM 1968 O SER A 129 -24.422 -5.404 -26.043 1.00 0.00 O ATOM 1969 CB SER A 129 -22.326 -6.183 -23.442 1.00 0.00 C ATOM 1970 OG SER A 129 -22.047 -7.262 -24.330 1.00 0.00 O ATOM 0 H SER A 129 -24.825 -7.160 -24.295 1.00 0.00 H new ATOM 0 HA SER A 129 -23.788 -4.670 -23.077 1.00 0.00 H new ATOM 0 HB2 SER A 129 -21.521 -5.451 -23.497 1.00 0.00 H new ATOM 0 HB3 SER A 129 -22.350 -6.554 -22.417 1.00 0.00 H new ATOM 0 HG SER A 129 -21.189 -7.670 -24.090 1.00 0.00 H new ATOM 1976 N GLY A 130 -22.739 -4.021 -25.435 1.00 0.00 N ATOM 1977 CA GLY A 130 -22.610 -3.419 -26.751 1.00 0.00 C ATOM 1978 C GLY A 130 -22.605 -1.892 -26.657 1.00 0.00 C ATOM 1979 O GLY A 130 -23.218 -1.213 -27.479 1.00 0.00 O ATOM 0 H GLY A 130 -22.091 -3.659 -24.735 1.00 0.00 H new ATOM 0 HA2 GLY A 130 -21.689 -3.761 -27.223 1.00 0.00 H new ATOM 0 HA3 GLY A 130 -23.433 -3.745 -27.386 1.00 0.00 H new TER 1983 GLY A 130