USER MOD reduce.3.24.130724 H: found=0, std=0, add=920, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 926 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 102 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: B 69 MET CE :methyl -122:sc= -3.43! (180deg=-6.53!) USER MOD Set 2.1: A 100 THR OG1 : rot -81:sc= 1.05 USER MOD Set 2.2: B 100 THR OG1 : rot 132:sc= -0.896! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 MET CE :methyl 178:sc= -6.84! (180deg=-6.85!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl -158:sc= -0.18 (180deg=-0.736) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.0044) USER MOD Single : A 88 MET CE :methyl -168:sc= -0.0773 (180deg=-0.559) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -137:sc= 0.24 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-0.38) USER MOD Single : B 62 SER OG : rot 180:sc= 0 USER MOD Single : B 68 SER OG : rot 180:sc= 0 USER MOD Single : B 72 GLN : amide:sc=-0.000354 X(o=-0.00035,f=0) USER MOD Single : B 82 MET CE :methyl -161:sc= -0.169 (180deg=-0.749) USER MOD Single : B 83 SER OG : rot 4:sc= 0.0981 USER MOD Single : B 86 ASN : amide:sc= -0.185 K(o=-0.19,f=1.2) USER MOD Single : B 88 MET CE :methyl -176:sc= -2.2 (180deg=-2.24) USER MOD Single : B 89 THR OG1 : rot 180:sc= 0 USER MOD Single : B 92 LYS NZ :NH3+ -138:sc= 0.036 (180deg=0) USER MOD Single : B 96 TYR OH : rot 180:sc= 0 USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 102 THR OG1 : rot 82:sc= 0.0532 USER MOD Single : B 106 SER OG : rot 180:sc= 0 USER MOD Single : B 108 THR OG1 : rot 180:sc= 0 USER MOD Single : B 116 HIS : no HD1:sc= -0.851 K(o=-0.85,f=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 61 9.157 -8.247 13.161 1.00 0.00 N ATOM 2 CA ALA A 61 8.410 -9.094 12.195 1.00 0.00 C ATOM 3 C ALA A 61 9.190 -9.281 10.907 1.00 0.00 C ATOM 4 O ALA A 61 9.790 -8.338 10.391 1.00 0.00 O ATOM 5 CB ALA A 61 7.061 -8.477 11.871 1.00 0.00 C ATOM 0 HA ALA A 61 8.264 -10.067 12.665 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.531 -9.113 11.162 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.474 -8.384 12.785 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.208 -7.490 11.433 1.00 0.00 H new ATOM 13 N SER A 62 9.156 -10.494 10.374 1.00 0.00 N ATOM 14 CA SER A 62 9.837 -10.784 9.128 1.00 0.00 C ATOM 15 C SER A 62 9.259 -9.917 8.025 1.00 0.00 C ATOM 16 O SER A 62 8.074 -9.585 8.039 1.00 0.00 O ATOM 17 CB SER A 62 9.687 -12.252 8.758 1.00 0.00 C ATOM 18 OG SER A 62 10.064 -13.096 9.833 1.00 0.00 O ATOM 0 H SER A 62 8.665 -11.288 10.786 1.00 0.00 H new ATOM 0 HA SER A 62 10.898 -10.568 9.251 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.653 -12.455 8.479 1.00 0.00 H new ATOM 0 HB3 SER A 62 10.302 -12.474 7.886 1.00 0.00 H new ATOM 0 HG SER A 62 9.956 -14.033 9.567 1.00 0.00 H new ATOM 24 N ASP A 63 10.097 -9.545 7.080 1.00 0.00 N ATOM 25 CA ASP A 63 9.671 -8.703 5.975 1.00 0.00 C ATOM 26 C ASP A 63 8.742 -9.457 5.037 1.00 0.00 C ATOM 27 O ASP A 63 7.673 -8.965 4.673 1.00 0.00 O ATOM 28 CB ASP A 63 10.886 -8.198 5.206 1.00 0.00 C ATOM 29 CG ASP A 63 11.719 -9.324 4.623 1.00 0.00 C ATOM 30 OD1 ASP A 63 12.218 -10.160 5.406 1.00 0.00 O ATOM 31 OD2 ASP A 63 11.872 -9.370 3.385 1.00 0.00 O ATOM 0 H ASP A 63 11.081 -9.812 7.053 1.00 0.00 H new ATOM 0 HA ASP A 63 9.124 -7.855 6.387 1.00 0.00 H new ATOM 0 HB2 ASP A 63 10.555 -7.542 4.401 1.00 0.00 H new ATOM 0 HB3 ASP A 63 11.508 -7.598 5.870 1.00 0.00 H new ATOM 36 N ASP A 64 9.164 -10.648 4.643 1.00 0.00 N ATOM 37 CA ASP A 64 8.377 -11.475 3.733 1.00 0.00 C ATOM 38 C ASP A 64 6.992 -11.746 4.280 1.00 0.00 C ATOM 39 O ASP A 64 6.048 -11.904 3.517 1.00 0.00 O ATOM 40 CB ASP A 64 9.080 -12.799 3.437 1.00 0.00 C ATOM 41 CG ASP A 64 8.200 -13.763 2.666 1.00 0.00 C ATOM 42 OD1 ASP A 64 7.784 -13.417 1.541 1.00 0.00 O ATOM 43 OD2 ASP A 64 7.929 -14.866 3.186 1.00 0.00 O ATOM 0 H ASP A 64 10.046 -11.066 4.937 1.00 0.00 H new ATOM 0 HA ASP A 64 8.278 -10.913 2.804 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.988 -12.605 2.866 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.386 -13.262 4.375 1.00 0.00 H new ATOM 48 N GLU A 65 6.865 -11.815 5.591 1.00 0.00 N ATOM 49 CA GLU A 65 5.580 -12.078 6.192 1.00 0.00 C ATOM 50 C GLU A 65 4.542 -11.076 5.689 1.00 0.00 C ATOM 51 O GLU A 65 3.364 -11.400 5.542 1.00 0.00 O ATOM 52 CB GLU A 65 5.689 -12.025 7.715 1.00 0.00 C ATOM 53 CG GLU A 65 4.389 -12.325 8.439 1.00 0.00 C ATOM 54 CD GLU A 65 3.888 -13.739 8.202 1.00 0.00 C ATOM 55 OE1 GLU A 65 4.550 -14.491 7.458 1.00 0.00 O ATOM 56 OE2 GLU A 65 2.830 -14.094 8.763 1.00 0.00 O ATOM 0 H GLU A 65 7.632 -11.693 6.253 1.00 0.00 H new ATOM 0 HA GLU A 65 5.256 -13.078 5.904 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.446 -12.738 8.040 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.037 -11.035 8.010 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.532 -12.171 9.509 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.627 -11.617 8.114 1.00 0.00 H new ATOM 63 N LEU A 66 5.004 -9.861 5.424 1.00 0.00 N ATOM 64 CA LEU A 66 4.150 -8.786 4.930 1.00 0.00 C ATOM 65 C LEU A 66 4.115 -8.769 3.408 1.00 0.00 C ATOM 66 O LEU A 66 3.074 -8.558 2.797 1.00 0.00 O ATOM 67 CB LEU A 66 4.669 -7.438 5.424 1.00 0.00 C ATOM 68 CG LEU A 66 4.558 -7.200 6.936 1.00 0.00 C ATOM 69 CD1 LEU A 66 5.446 -8.165 7.708 1.00 0.00 C ATOM 70 CD2 LEU A 66 4.913 -5.761 7.276 1.00 0.00 C ATOM 0 H LEU A 66 5.980 -9.592 5.545 1.00 0.00 H new ATOM 0 HA LEU A 66 3.142 -8.962 5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.716 -7.344 5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.123 -6.648 4.909 1.00 0.00 H new ATOM 0 HG LEU A 66 3.525 -7.383 7.231 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.348 -7.974 8.777 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.143 -9.190 7.493 1.00 0.00 H new ATOM 0 HD13 LEU A 66 6.484 -8.023 7.408 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.829 -5.610 8.352 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.935 -5.554 6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.230 -5.086 6.761 1.00 0.00 H new ATOM 82 N PHE A 67 5.273 -8.963 2.807 1.00 0.00 N ATOM 83 CA PHE A 67 5.400 -8.948 1.361 1.00 0.00 C ATOM 84 C PHE A 67 4.720 -10.148 0.723 1.00 0.00 C ATOM 85 O PHE A 67 4.299 -10.097 -0.433 1.00 0.00 O ATOM 86 CB PHE A 67 6.876 -8.925 0.993 1.00 0.00 C ATOM 87 CG PHE A 67 7.600 -7.740 1.531 1.00 0.00 C ATOM 88 CD1 PHE A 67 6.971 -6.512 1.658 1.00 0.00 C ATOM 89 CD2 PHE A 67 8.913 -7.865 1.924 1.00 0.00 C ATOM 90 CE1 PHE A 67 7.659 -5.427 2.169 1.00 0.00 C ATOM 91 CE2 PHE A 67 9.606 -6.793 2.429 1.00 0.00 C ATOM 92 CZ PHE A 67 8.985 -5.569 2.554 1.00 0.00 C ATOM 0 H PHE A 67 6.148 -9.135 3.303 1.00 0.00 H new ATOM 0 HA PHE A 67 4.905 -8.055 0.980 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.350 -9.832 1.367 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.973 -8.939 -0.093 1.00 0.00 H new ATOM 0 HD1 PHE A 67 5.940 -6.402 1.357 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.406 -8.822 1.834 1.00 0.00 H new ATOM 0 HE1 PHE A 67 7.166 -4.471 2.268 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.637 -6.909 2.728 1.00 0.00 H new ATOM 0 HZ PHE A 67 9.528 -4.724 2.950 1.00 0.00 H new ATOM 102 N SER A 68 4.629 -11.227 1.479 1.00 0.00 N ATOM 103 CA SER A 68 4.018 -12.453 0.995 1.00 0.00 C ATOM 104 C SER A 68 2.541 -12.246 0.679 1.00 0.00 C ATOM 105 O SER A 68 2.084 -12.572 -0.413 1.00 0.00 O ATOM 106 CB SER A 68 4.194 -13.553 2.028 1.00 0.00 C ATOM 107 OG SER A 68 3.596 -14.764 1.601 1.00 0.00 O ATOM 0 H SER A 68 4.973 -11.279 2.438 1.00 0.00 H new ATOM 0 HA SER A 68 4.514 -12.746 0.070 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.256 -13.715 2.212 1.00 0.00 H new ATOM 0 HB3 SER A 68 3.751 -13.240 2.974 1.00 0.00 H new ATOM 0 HG SER A 68 3.727 -15.453 2.286 1.00 0.00 H new ATOM 113 N MET A 69 1.795 -11.687 1.624 1.00 0.00 N ATOM 114 CA MET A 69 0.389 -11.425 1.399 1.00 0.00 C ATOM 115 C MET A 69 0.241 -10.543 0.166 1.00 0.00 C ATOM 116 O MET A 69 -0.675 -10.719 -0.636 1.00 0.00 O ATOM 117 CB MET A 69 -0.240 -10.752 2.613 1.00 0.00 C ATOM 118 CG MET A 69 0.618 -9.642 3.164 1.00 0.00 C ATOM 119 SD MET A 69 -0.323 -8.386 4.040 1.00 0.00 S ATOM 120 CE MET A 69 0.968 -7.180 4.306 1.00 0.00 C ATOM 0 H MET A 69 2.141 -11.411 2.543 1.00 0.00 H new ATOM 0 HA MET A 69 -0.130 -12.370 1.239 1.00 0.00 H new ATOM 0 HB2 MET A 69 -1.215 -10.351 2.338 1.00 0.00 H new ATOM 0 HB3 MET A 69 -0.409 -11.497 3.391 1.00 0.00 H new ATOM 0 HG2 MET A 69 1.361 -10.067 3.839 1.00 0.00 H new ATOM 0 HG3 MET A 69 1.163 -9.173 2.345 1.00 0.00 H new ATOM 0 HE1 MET A 69 0.553 -6.308 4.811 1.00 0.00 H new ATOM 0 HE2 MET A 69 1.753 -7.617 4.923 1.00 0.00 H new ATOM 0 HE3 MET A 69 1.387 -6.878 3.346 1.00 0.00 H new ATOM 130 N LEU A 70 1.182 -9.608 0.012 1.00 0.00 N ATOM 131 CA LEU A 70 1.201 -8.712 -1.131 1.00 0.00 C ATOM 132 C LEU A 70 1.419 -9.524 -2.387 1.00 0.00 C ATOM 133 O LEU A 70 0.878 -9.230 -3.443 1.00 0.00 O ATOM 134 CB LEU A 70 2.315 -7.686 -0.941 1.00 0.00 C ATOM 135 CG LEU A 70 2.203 -6.928 0.363 1.00 0.00 C ATOM 136 CD1 LEU A 70 3.453 -6.118 0.630 1.00 0.00 C ATOM 137 CD2 LEU A 70 0.977 -6.049 0.312 1.00 0.00 C ATOM 0 H LEU A 70 1.943 -9.457 0.674 1.00 0.00 H new ATOM 0 HA LEU A 70 0.253 -8.181 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 70 3.279 -8.193 -0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.295 -6.978 -1.770 1.00 0.00 H new ATOM 0 HG LEU A 70 2.102 -7.634 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.345 -5.583 1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.313 -6.785 0.687 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.602 -5.402 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.886 -5.497 1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.067 -5.346 -0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 70 0.091 -6.668 0.168 1.00 0.00 H new ATOM 149 N ASP A 71 2.207 -10.570 -2.237 1.00 0.00 N ATOM 150 CA ASP A 71 2.510 -11.478 -3.326 1.00 0.00 C ATOM 151 C ASP A 71 1.237 -12.126 -3.848 1.00 0.00 C ATOM 152 O ASP A 71 1.050 -12.272 -5.056 1.00 0.00 O ATOM 153 CB ASP A 71 3.468 -12.559 -2.826 1.00 0.00 C ATOM 154 CG ASP A 71 3.916 -13.499 -3.928 1.00 0.00 C ATOM 155 OD1 ASP A 71 4.526 -13.019 -4.907 1.00 0.00 O ATOM 156 OD2 ASP A 71 3.659 -14.716 -3.811 1.00 0.00 O ATOM 0 H ASP A 71 2.656 -10.815 -1.355 1.00 0.00 H new ATOM 0 HA ASP A 71 2.973 -10.918 -4.138 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.343 -12.086 -2.380 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.981 -13.135 -2.039 1.00 0.00 H new ATOM 161 N GLN A 72 0.375 -12.528 -2.925 1.00 0.00 N ATOM 162 CA GLN A 72 -0.873 -13.184 -3.276 1.00 0.00 C ATOM 163 C GLN A 72 -1.920 -12.200 -3.776 1.00 0.00 C ATOM 164 O GLN A 72 -2.738 -12.527 -4.634 1.00 0.00 O ATOM 165 CB GLN A 72 -1.413 -13.969 -2.082 1.00 0.00 C ATOM 166 CG GLN A 72 -0.530 -15.133 -1.667 1.00 0.00 C ATOM 167 CD GLN A 72 -1.084 -15.888 -0.476 1.00 0.00 C ATOM 168 OE1 GLN A 72 -1.269 -15.322 0.602 1.00 0.00 O ATOM 169 NE2 GLN A 72 -1.352 -17.175 -0.662 1.00 0.00 N ATOM 0 H GLN A 72 0.520 -12.410 -1.922 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.658 -13.872 -4.094 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -1.528 -13.292 -1.236 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.406 -14.347 -2.326 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.419 -15.818 -2.507 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.466 -14.761 -1.426 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.184 -17.605 -1.572 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -1.726 -17.734 0.105 1.00 0.00 H new ATOM 178 N ARG A 73 -1.893 -11.003 -3.228 1.00 0.00 N ATOM 179 CA ARG A 73 -2.840 -9.966 -3.607 1.00 0.00 C ATOM 180 C ARG A 73 -2.470 -9.352 -4.948 1.00 0.00 C ATOM 181 O ARG A 73 -3.332 -9.055 -5.775 1.00 0.00 O ATOM 182 CB ARG A 73 -2.853 -8.890 -2.538 1.00 0.00 C ATOM 183 CG ARG A 73 -3.432 -9.361 -1.213 1.00 0.00 C ATOM 184 CD ARG A 73 -3.503 -8.234 -0.197 1.00 0.00 C ATOM 185 NE ARG A 73 -4.087 -8.674 1.068 1.00 0.00 N ATOM 186 CZ ARG A 73 -5.333 -9.128 1.192 1.00 0.00 C ATOM 187 NH1 ARG A 73 -6.134 -9.182 0.136 1.00 0.00 N ATOM 188 NH2 ARG A 73 -5.780 -9.524 2.375 1.00 0.00 N ATOM 0 H ARG A 73 -1.222 -10.719 -2.514 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.830 -10.413 -3.700 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.834 -8.537 -2.376 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.432 -8.039 -2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.430 -9.767 -1.376 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.820 -10.171 -0.816 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -2.501 -7.844 -0.018 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.096 -7.415 -0.605 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.506 -8.631 1.905 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.797 -8.875 -0.776 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.087 -9.531 0.236 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.170 -9.481 3.191 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.734 -9.872 2.469 1.00 0.00 H new ATOM 202 N PHE A 74 -1.177 -9.160 -5.138 1.00 0.00 N ATOM 203 CA PHE A 74 -0.646 -8.573 -6.357 1.00 0.00 C ATOM 204 C PHE A 74 -0.782 -9.530 -7.533 1.00 0.00 C ATOM 205 O PHE A 74 -0.751 -9.111 -8.690 1.00 0.00 O ATOM 206 CB PHE A 74 0.829 -8.225 -6.153 1.00 0.00 C ATOM 207 CG PHE A 74 1.089 -7.061 -5.230 1.00 0.00 C ATOM 208 CD1 PHE A 74 0.060 -6.420 -4.541 1.00 0.00 C ATOM 209 CD2 PHE A 74 2.383 -6.603 -5.059 1.00 0.00 C ATOM 210 CE1 PHE A 74 0.331 -5.353 -3.707 1.00 0.00 C ATOM 211 CE2 PHE A 74 2.652 -5.539 -4.229 1.00 0.00 C ATOM 212 CZ PHE A 74 1.628 -4.915 -3.555 1.00 0.00 C ATOM 0 H PHE A 74 -0.464 -9.407 -4.451 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.217 -7.672 -6.580 1.00 0.00 H new ATOM 0 HB2 PHE A 74 1.342 -9.102 -5.760 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.272 -8.005 -7.124 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -0.958 -6.761 -4.661 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.193 -7.087 -5.584 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.472 -4.863 -3.176 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.668 -5.194 -4.107 1.00 0.00 H new ATOM 0 HZ PHE A 74 1.842 -4.079 -2.905 1.00 0.00 H new ATOM 222 N GLY A 75 -0.931 -10.817 -7.236 1.00 0.00 N ATOM 223 CA GLY A 75 -1.065 -11.797 -8.303 1.00 0.00 C ATOM 224 C GLY A 75 -0.908 -13.235 -7.845 1.00 0.00 C ATOM 225 O GLY A 75 -0.150 -14.000 -8.442 1.00 0.00 O ATOM 0 H GLY A 75 -0.961 -11.197 -6.290 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.043 -11.680 -8.769 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.320 -11.588 -9.070 1.00 0.00 H new ATOM 229 N GLY A 76 -1.630 -13.609 -6.795 1.00 0.00 N ATOM 230 CA GLY A 76 -1.560 -14.970 -6.288 1.00 0.00 C ATOM 231 C GLY A 76 -0.140 -15.433 -6.021 1.00 0.00 C ATOM 232 O GLY A 76 0.657 -14.706 -5.432 1.00 0.00 O ATOM 0 H GLY A 76 -2.264 -12.995 -6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -2.137 -15.038 -5.366 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.026 -15.644 -7.007 1.00 0.00 H new ATOM 236 N GLY A 77 0.176 -16.649 -6.456 1.00 0.00 N ATOM 237 CA GLY A 77 1.509 -17.190 -6.251 1.00 0.00 C ATOM 238 C GLY A 77 2.562 -16.485 -7.085 1.00 0.00 C ATOM 239 O GLY A 77 2.538 -15.261 -7.223 1.00 0.00 O ATOM 0 H GLY A 77 -0.467 -17.270 -6.947 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.772 -17.108 -5.196 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.507 -18.252 -6.497 1.00 0.00 H new ATOM 243 N GLU A 78 3.491 -17.260 -7.637 1.00 0.00 N ATOM 244 CA GLU A 78 4.562 -16.716 -8.455 1.00 0.00 C ATOM 245 C GLU A 78 4.025 -16.076 -9.733 1.00 0.00 C ATOM 246 O GLU A 78 2.896 -15.586 -9.769 1.00 0.00 O ATOM 247 CB GLU A 78 5.574 -17.810 -8.787 1.00 0.00 C ATOM 248 CG GLU A 78 4.934 -19.095 -9.272 1.00 0.00 C ATOM 249 CD GLU A 78 4.294 -18.961 -10.641 1.00 0.00 C ATOM 250 OE1 GLU A 78 5.020 -18.657 -11.610 1.00 0.00 O ATOM 251 OE2 GLU A 78 3.064 -19.160 -10.742 1.00 0.00 O ATOM 0 H GLU A 78 3.520 -18.274 -7.529 1.00 0.00 H new ATOM 0 HA GLU A 78 5.058 -15.933 -7.882 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.258 -17.442 -9.552 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.172 -18.023 -7.901 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.690 -19.880 -9.306 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.178 -19.411 -8.553 1.00 0.00 H new ATOM 258 N ASP A 79 4.843 -16.087 -10.782 1.00 0.00 N ATOM 259 CA ASP A 79 4.458 -15.509 -12.063 1.00 0.00 C ATOM 260 C ASP A 79 5.556 -15.710 -13.080 1.00 0.00 C ATOM 261 O ASP A 79 5.369 -16.334 -14.125 1.00 0.00 O ATOM 262 CB ASP A 79 4.198 -14.013 -11.907 1.00 0.00 C ATOM 263 CG ASP A 79 3.529 -13.406 -13.125 1.00 0.00 C ATOM 264 OD1 ASP A 79 4.130 -13.457 -14.220 1.00 0.00 O ATOM 265 OD2 ASP A 79 2.406 -12.880 -12.986 1.00 0.00 O ATOM 0 H ASP A 79 5.779 -16.492 -10.768 1.00 0.00 H new ATOM 0 HA ASP A 79 3.550 -16.007 -12.403 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.570 -13.847 -11.032 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.143 -13.501 -11.723 1.00 0.00 H new ATOM 270 N LEU A 80 6.701 -15.162 -12.746 1.00 0.00 N ATOM 271 CA LEU A 80 7.880 -15.244 -13.600 1.00 0.00 C ATOM 272 C LEU A 80 8.390 -16.677 -13.705 1.00 0.00 C ATOM 273 O LEU A 80 8.448 -17.405 -12.714 1.00 0.00 O ATOM 274 CB LEU A 80 8.992 -14.337 -13.074 1.00 0.00 C ATOM 275 CG LEU A 80 8.641 -12.848 -13.012 1.00 0.00 C ATOM 276 CD1 LEU A 80 9.778 -12.058 -12.381 1.00 0.00 C ATOM 277 CD2 LEU A 80 8.325 -12.313 -14.401 1.00 0.00 C ATOM 0 H LEU A 80 6.849 -14.646 -11.879 1.00 0.00 H new ATOM 0 HA LEU A 80 7.587 -14.909 -14.595 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.269 -14.671 -12.074 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.871 -14.461 -13.707 1.00 0.00 H new ATOM 0 HG LEU A 80 7.753 -12.731 -12.390 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.511 -11.002 -12.345 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.956 -12.422 -11.369 1.00 0.00 H new ATOM 0 HD13 LEU A 80 10.682 -12.184 -12.976 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.078 -11.253 -14.335 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.193 -12.444 -15.047 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.477 -12.858 -14.817 1.00 0.00 H new ATOM 289 N LEU A 81 8.762 -17.068 -14.918 1.00 0.00 N ATOM 290 CA LEU A 81 9.272 -18.397 -15.183 1.00 0.00 C ATOM 291 C LEU A 81 10.701 -18.544 -14.669 1.00 0.00 C ATOM 292 O LEU A 81 10.991 -19.401 -13.834 1.00 0.00 O ATOM 293 CB LEU A 81 9.243 -18.650 -16.689 1.00 0.00 C ATOM 294 CG LEU A 81 7.862 -18.910 -17.307 1.00 0.00 C ATOM 295 CD1 LEU A 81 7.300 -20.238 -16.829 1.00 0.00 C ATOM 296 CD2 LEU A 81 6.900 -17.772 -17.002 1.00 0.00 C ATOM 0 H LEU A 81 8.716 -16.469 -15.742 1.00 0.00 H new ATOM 0 HA LEU A 81 8.645 -19.124 -14.666 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.685 -17.789 -17.189 1.00 0.00 H new ATOM 0 HB3 LEU A 81 9.881 -19.507 -16.905 1.00 0.00 H new ATOM 0 HG LEU A 81 7.983 -18.961 -18.389 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.321 -20.402 -17.279 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.973 -21.044 -17.121 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.202 -20.222 -15.744 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.931 -17.984 -17.453 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.785 -17.673 -15.923 1.00 0.00 H new ATOM 0 HD23 LEU A 81 7.295 -16.842 -17.412 1.00 0.00 H new ATOM 308 N MET A 82 11.585 -17.697 -15.184 1.00 0.00 N ATOM 309 CA MET A 82 12.990 -17.713 -14.797 1.00 0.00 C ATOM 310 C MET A 82 13.182 -17.146 -13.396 1.00 0.00 C ATOM 311 O MET A 82 14.006 -17.638 -12.624 1.00 0.00 O ATOM 312 CB MET A 82 13.820 -16.909 -15.800 1.00 0.00 C ATOM 313 CG MET A 82 13.714 -17.423 -17.227 1.00 0.00 C ATOM 314 SD MET A 82 14.650 -16.420 -18.398 1.00 0.00 S ATOM 315 CE MET A 82 13.834 -14.835 -18.218 1.00 0.00 C ATOM 0 H MET A 82 11.350 -16.985 -15.876 1.00 0.00 H new ATOM 0 HA MET A 82 13.327 -18.750 -14.795 1.00 0.00 H new ATOM 0 HB2 MET A 82 13.499 -15.868 -15.773 1.00 0.00 H new ATOM 0 HB3 MET A 82 14.865 -16.928 -15.492 1.00 0.00 H new ATOM 0 HG2 MET A 82 14.074 -18.451 -17.266 1.00 0.00 H new ATOM 0 HG3 MET A 82 12.666 -17.440 -17.526 1.00 0.00 H new ATOM 0 HE1 MET A 82 14.009 -14.232 -19.109 1.00 0.00 H new ATOM 0 HE2 MET A 82 12.763 -14.990 -18.089 1.00 0.00 H new ATOM 0 HE3 MET A 82 14.233 -14.317 -17.346 1.00 0.00 H new ATOM 325 N SER A 83 12.419 -16.101 -13.083 1.00 0.00 N ATOM 326 CA SER A 83 12.500 -15.444 -11.780 1.00 0.00 C ATOM 327 C SER A 83 13.849 -14.756 -11.599 1.00 0.00 C ATOM 328 O SER A 83 14.887 -15.282 -12.000 1.00 0.00 O ATOM 329 CB SER A 83 12.269 -16.446 -10.648 1.00 0.00 C ATOM 330 OG SER A 83 10.994 -17.054 -10.754 1.00 0.00 O ATOM 0 H SER A 83 11.734 -15.689 -13.717 1.00 0.00 H new ATOM 0 HA SER A 83 11.716 -14.688 -11.742 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.044 -17.213 -10.674 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.354 -15.939 -9.687 1.00 0.00 H new ATOM 0 HG SER A 83 10.873 -17.691 -10.019 1.00 0.00 H new ATOM 336 N GLY A 84 13.824 -13.573 -10.995 1.00 0.00 N ATOM 337 CA GLY A 84 15.049 -12.825 -10.775 1.00 0.00 C ATOM 338 C GLY A 84 15.934 -13.441 -9.710 1.00 0.00 C ATOM 339 O GLY A 84 16.021 -14.664 -9.595 1.00 0.00 O ATOM 0 H GLY A 84 12.977 -13.118 -10.654 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.604 -12.764 -11.711 1.00 0.00 H new ATOM 0 HA3 GLY A 84 14.798 -11.804 -10.486 1.00 0.00 H new ATOM 343 N ASP A 85 16.593 -12.587 -8.931 1.00 0.00 N ATOM 344 CA ASP A 85 17.483 -13.038 -7.868 1.00 0.00 C ATOM 345 C ASP A 85 18.010 -11.847 -7.073 1.00 0.00 C ATOM 346 O ASP A 85 19.219 -11.639 -6.968 1.00 0.00 O ATOM 347 CB ASP A 85 18.648 -13.834 -8.458 1.00 0.00 C ATOM 348 CG ASP A 85 19.550 -14.432 -7.395 1.00 0.00 C ATOM 349 OD1 ASP A 85 19.255 -14.256 -6.194 1.00 0.00 O ATOM 350 OD2 ASP A 85 20.552 -15.082 -7.764 1.00 0.00 O ATOM 0 H ASP A 85 16.526 -11.573 -9.018 1.00 0.00 H new ATOM 0 HA ASP A 85 16.920 -13.684 -7.194 1.00 0.00 H new ATOM 0 HB2 ASP A 85 18.255 -14.633 -9.086 1.00 0.00 H new ATOM 0 HB3 ASP A 85 19.237 -13.183 -9.103 1.00 0.00 H new ATOM 355 N ASN A 86 17.088 -11.063 -6.523 1.00 0.00 N ATOM 356 CA ASN A 86 17.449 -9.883 -5.743 1.00 0.00 C ATOM 357 C ASN A 86 18.195 -10.268 -4.467 1.00 0.00 C ATOM 358 O ASN A 86 18.823 -11.323 -4.394 1.00 0.00 O ATOM 359 CB ASN A 86 16.191 -9.082 -5.394 1.00 0.00 C ATOM 360 CG ASN A 86 15.444 -8.613 -6.628 1.00 0.00 C ATOM 361 OD1 ASN A 86 15.985 -7.876 -7.452 1.00 0.00 O ATOM 362 ND2 ASN A 86 14.193 -9.039 -6.760 1.00 0.00 N ATOM 0 H ASN A 86 16.084 -11.223 -6.603 1.00 0.00 H new ATOM 0 HA ASN A 86 18.114 -9.267 -6.349 1.00 0.00 H new ATOM 0 HB2 ASN A 86 15.529 -9.697 -4.784 1.00 0.00 H new ATOM 0 HB3 ASN A 86 16.469 -8.218 -4.791 1.00 0.00 H new ATOM 0 HD21 ASN A 86 13.641 -8.756 -7.569 1.00 0.00 H new ATOM 0 HD22 ASN A 86 13.785 -9.649 -6.052 1.00 0.00 H new ATOM 369 N GLY A 87 18.121 -9.398 -3.465 1.00 0.00 N ATOM 370 CA GLY A 87 18.793 -9.655 -2.204 1.00 0.00 C ATOM 371 C GLY A 87 18.730 -8.472 -1.260 1.00 0.00 C ATOM 372 O GLY A 87 18.406 -8.625 -0.083 1.00 0.00 O ATOM 0 H GLY A 87 17.607 -8.518 -3.504 1.00 0.00 H new ATOM 0 HA2 GLY A 87 18.339 -10.522 -1.725 1.00 0.00 H new ATOM 0 HA3 GLY A 87 19.836 -9.906 -2.397 1.00 0.00 H new ATOM 376 N MET A 88 19.051 -7.293 -1.780 1.00 0.00 N ATOM 377 CA MET A 88 19.041 -6.075 -0.980 1.00 0.00 C ATOM 378 C MET A 88 17.635 -5.722 -0.524 1.00 0.00 C ATOM 379 O MET A 88 16.655 -6.004 -1.215 1.00 0.00 O ATOM 380 CB MET A 88 19.623 -4.909 -1.771 1.00 0.00 C ATOM 381 CG MET A 88 20.993 -5.209 -2.359 1.00 0.00 C ATOM 382 SD MET A 88 21.760 -3.765 -3.121 1.00 0.00 S ATOM 383 CE MET A 88 20.596 -3.415 -4.435 1.00 0.00 C ATOM 0 H MET A 88 19.322 -7.155 -2.754 1.00 0.00 H new ATOM 0 HA MET A 88 19.656 -6.260 -0.100 1.00 0.00 H new ATOM 0 HB2 MET A 88 18.938 -4.647 -2.577 1.00 0.00 H new ATOM 0 HB3 MET A 88 19.697 -4.038 -1.120 1.00 0.00 H new ATOM 0 HG2 MET A 88 21.645 -5.588 -1.573 1.00 0.00 H new ATOM 0 HG3 MET A 88 20.898 -5.999 -3.104 1.00 0.00 H new ATOM 0 HE1 MET A 88 21.031 -2.690 -5.123 1.00 0.00 H new ATOM 0 HE2 MET A 88 20.368 -4.335 -4.973 1.00 0.00 H new ATOM 0 HE3 MET A 88 19.679 -3.006 -4.010 1.00 0.00 H new ATOM 393 N THR A 89 17.548 -5.093 0.639 1.00 0.00 N ATOM 394 CA THR A 89 16.270 -4.685 1.193 1.00 0.00 C ATOM 395 C THR A 89 15.519 -3.782 0.218 1.00 0.00 C ATOM 396 O THR A 89 14.320 -3.947 0.001 1.00 0.00 O ATOM 397 CB THR A 89 16.455 -3.943 2.527 1.00 0.00 C ATOM 398 OG1 THR A 89 17.032 -4.820 3.502 1.00 0.00 O ATOM 399 CG2 THR A 89 15.128 -3.413 3.031 1.00 0.00 C ATOM 0 H THR A 89 18.353 -4.854 1.218 1.00 0.00 H new ATOM 0 HA THR A 89 15.689 -5.591 1.368 1.00 0.00 H new ATOM 0 HB THR A 89 17.126 -3.100 2.362 1.00 0.00 H new ATOM 0 HG1 THR A 89 17.148 -4.338 4.348 1.00 0.00 H new ATOM 0 HG21 THR A 89 15.280 -2.891 3.976 1.00 0.00 H new ATOM 0 HG22 THR A 89 14.710 -2.723 2.298 1.00 0.00 H new ATOM 0 HG23 THR A 89 14.438 -4.243 3.182 1.00 0.00 H new ATOM 407 N GLU A 90 16.242 -2.834 -0.369 1.00 0.00 N ATOM 408 CA GLU A 90 15.668 -1.900 -1.331 1.00 0.00 C ATOM 409 C GLU A 90 14.912 -2.635 -2.427 1.00 0.00 C ATOM 410 O GLU A 90 13.722 -2.419 -2.615 1.00 0.00 O ATOM 411 CB GLU A 90 16.783 -1.076 -1.973 1.00 0.00 C ATOM 412 CG GLU A 90 17.438 -0.082 -1.031 1.00 0.00 C ATOM 413 CD GLU A 90 18.569 0.689 -1.686 1.00 0.00 C ATOM 414 OE1 GLU A 90 18.829 0.460 -2.886 1.00 0.00 O ATOM 415 OE2 GLU A 90 19.195 1.523 -0.997 1.00 0.00 O ATOM 0 H GLU A 90 17.237 -2.692 -0.193 1.00 0.00 H new ATOM 0 HA GLU A 90 14.973 -1.252 -0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 90 17.546 -1.753 -2.357 1.00 0.00 H new ATOM 0 HB3 GLU A 90 16.376 -0.536 -2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.686 0.620 -0.671 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.822 -0.612 -0.160 1.00 0.00 H new ATOM 422 N GLU A 91 15.628 -3.486 -3.154 1.00 0.00 N ATOM 423 CA GLU A 91 15.050 -4.252 -4.258 1.00 0.00 C ATOM 424 C GLU A 91 13.645 -4.746 -3.939 1.00 0.00 C ATOM 425 O GLU A 91 12.718 -4.564 -4.729 1.00 0.00 O ATOM 426 CB GLU A 91 15.961 -5.425 -4.623 1.00 0.00 C ATOM 427 CG GLU A 91 17.353 -4.991 -5.061 1.00 0.00 C ATOM 428 CD GLU A 91 18.236 -6.156 -5.462 1.00 0.00 C ATOM 429 OE1 GLU A 91 18.462 -7.045 -4.617 1.00 0.00 O ATOM 430 OE2 GLU A 91 18.703 -6.175 -6.619 1.00 0.00 O ATOM 0 H GLU A 91 16.620 -3.665 -2.998 1.00 0.00 H new ATOM 0 HA GLU A 91 14.969 -3.582 -5.114 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.049 -6.090 -3.763 1.00 0.00 H new ATOM 0 HB3 GLU A 91 15.498 -6.000 -5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.266 -4.302 -5.901 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.830 -4.443 -4.248 1.00 0.00 H new ATOM 437 N LYS A 92 13.488 -5.343 -2.773 1.00 0.00 N ATOM 438 CA LYS A 92 12.186 -5.835 -2.338 1.00 0.00 C ATOM 439 C LYS A 92 11.273 -4.640 -2.106 1.00 0.00 C ATOM 440 O LYS A 92 10.176 -4.549 -2.649 1.00 0.00 O ATOM 441 CB LYS A 92 12.339 -6.650 -1.047 1.00 0.00 C ATOM 442 CG LYS A 92 11.119 -7.459 -0.644 1.00 0.00 C ATOM 443 CD LYS A 92 11.499 -8.560 0.336 1.00 0.00 C ATOM 444 CE LYS A 92 12.465 -9.558 -0.285 1.00 0.00 C ATOM 445 NZ LYS A 92 12.837 -10.640 0.669 1.00 0.00 N ATOM 0 H LYS A 92 14.244 -5.501 -2.107 1.00 0.00 H new ATOM 0 HA LYS A 92 11.755 -6.484 -3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 92 13.183 -7.329 -1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 92 12.588 -5.969 -0.234 1.00 0.00 H new ATOM 0 HG2 LYS A 92 10.376 -6.803 -0.190 1.00 0.00 H new ATOM 0 HG3 LYS A 92 10.659 -7.897 -1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 92 11.953 -8.117 1.222 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.600 -9.081 0.665 1.00 0.00 H new ATOM 0 HE2 LYS A 92 12.011 -9.998 -1.173 1.00 0.00 H new ATOM 0 HE3 LYS A 92 13.365 -9.037 -0.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 13.859 -10.823 0.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 12.598 -10.346 1.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 12.315 -11.507 0.431 1.00 0.00 H new ATOM 459 N LEU A 93 11.772 -3.711 -1.306 1.00 0.00 N ATOM 460 CA LEU A 93 11.060 -2.487 -0.980 1.00 0.00 C ATOM 461 C LEU A 93 10.748 -1.654 -2.223 1.00 0.00 C ATOM 462 O LEU A 93 9.917 -0.752 -2.175 1.00 0.00 O ATOM 463 CB LEU A 93 11.891 -1.672 0.006 1.00 0.00 C ATOM 464 CG LEU A 93 11.649 -2.001 1.476 1.00 0.00 C ATOM 465 CD1 LEU A 93 11.699 -3.505 1.700 1.00 0.00 C ATOM 466 CD2 LEU A 93 12.661 -1.277 2.348 1.00 0.00 C ATOM 0 H LEU A 93 12.687 -3.786 -0.863 1.00 0.00 H new ATOM 0 HA LEU A 93 10.105 -2.759 -0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 93 12.947 -1.826 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 93 11.683 -0.614 -0.153 1.00 0.00 H new ATOM 0 HG LEU A 93 10.654 -1.657 1.757 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.524 -3.722 2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.930 -3.988 1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.679 -3.884 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.479 -1.519 3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.668 -1.590 2.073 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.563 -0.201 2.202 1.00 0.00 H new ATOM 478 N ARG A 94 11.414 -1.952 -3.332 1.00 0.00 N ATOM 479 CA ARG A 94 11.189 -1.212 -4.569 1.00 0.00 C ATOM 480 C ARG A 94 9.863 -1.610 -5.208 1.00 0.00 C ATOM 481 O ARG A 94 9.101 -0.757 -5.659 1.00 0.00 O ATOM 482 CB ARG A 94 12.338 -1.439 -5.555 1.00 0.00 C ATOM 483 CG ARG A 94 13.648 -0.798 -5.123 1.00 0.00 C ATOM 484 CD ARG A 94 14.746 -1.020 -6.151 1.00 0.00 C ATOM 485 NE ARG A 94 14.408 -0.447 -7.452 1.00 0.00 N ATOM 486 CZ ARG A 94 14.225 0.854 -7.664 1.00 0.00 C ATOM 487 NH1 ARG A 94 14.359 1.721 -6.670 1.00 0.00 N ATOM 488 NH2 ARG A 94 13.911 1.290 -8.878 1.00 0.00 N ATOM 0 H ARG A 94 12.109 -2.695 -3.401 1.00 0.00 H new ATOM 0 HA ARG A 94 11.148 -0.152 -4.320 1.00 0.00 H new ATOM 0 HB2 ARG A 94 12.492 -2.511 -5.680 1.00 0.00 H new ATOM 0 HB3 ARG A 94 12.053 -1.042 -6.529 1.00 0.00 H new ATOM 0 HG2 ARG A 94 13.499 0.271 -4.975 1.00 0.00 H new ATOM 0 HG3 ARG A 94 13.958 -1.213 -4.164 1.00 0.00 H new ATOM 0 HD2 ARG A 94 15.674 -0.576 -5.790 1.00 0.00 H new ATOM 0 HD3 ARG A 94 14.926 -2.089 -6.263 1.00 0.00 H new ATOM 0 HE ARG A 94 14.306 -1.081 -8.244 1.00 0.00 H new ATOM 0 HH11 ARG A 94 14.604 1.392 -5.736 1.00 0.00 H new ATOM 0 HH12 ARG A 94 14.217 2.717 -6.839 1.00 0.00 H new ATOM 0 HH21 ARG A 94 13.810 0.628 -9.647 1.00 0.00 H new ATOM 0 HH22 ARG A 94 13.771 2.287 -9.041 1.00 0.00 H new ATOM 502 N ARG A 95 9.597 -2.912 -5.248 1.00 0.00 N ATOM 503 CA ARG A 95 8.364 -3.425 -5.837 1.00 0.00 C ATOM 504 C ARG A 95 7.195 -3.370 -4.852 1.00 0.00 C ATOM 505 O ARG A 95 6.163 -2.773 -5.139 1.00 0.00 O ATOM 506 CB ARG A 95 8.577 -4.859 -6.339 1.00 0.00 C ATOM 507 CG ARG A 95 9.323 -5.752 -5.362 1.00 0.00 C ATOM 508 CD ARG A 95 9.596 -7.122 -5.964 1.00 0.00 C ATOM 509 NE ARG A 95 10.338 -7.985 -5.051 1.00 0.00 N ATOM 510 CZ ARG A 95 10.703 -9.231 -5.346 1.00 0.00 C ATOM 511 NH1 ARG A 95 10.404 -9.751 -6.529 1.00 0.00 N ATOM 512 NH2 ARG A 95 11.371 -9.954 -4.459 1.00 0.00 N ATOM 0 H ARG A 95 10.219 -3.632 -4.879 1.00 0.00 H new ATOM 0 HA ARG A 95 8.107 -2.784 -6.680 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.606 -5.305 -6.555 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.128 -4.826 -7.279 1.00 0.00 H new ATOM 0 HG2 ARG A 95 10.265 -5.281 -5.082 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.739 -5.864 -4.449 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.651 -7.598 -6.224 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.159 -7.005 -6.890 1.00 0.00 H new ATOM 0 HE ARG A 95 10.591 -7.613 -4.136 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.893 -9.196 -7.216 1.00 0.00 H new ATOM 0 HH12 ARG A 95 10.685 -10.706 -6.752 1.00 0.00 H new ATOM 0 HH21 ARG A 95 11.606 -9.556 -3.550 1.00 0.00 H new ATOM 0 HH22 ARG A 95 11.650 -10.908 -4.686 1.00 0.00 H new ATOM 526 N TYR A 96 7.364 -3.999 -3.696 1.00 0.00 N ATOM 527 CA TYR A 96 6.340 -4.041 -2.667 1.00 0.00 C ATOM 528 C TYR A 96 5.857 -2.649 -2.274 1.00 0.00 C ATOM 529 O TYR A 96 4.655 -2.425 -2.171 1.00 0.00 O ATOM 530 CB TYR A 96 6.901 -4.812 -1.479 1.00 0.00 C ATOM 531 CG TYR A 96 7.126 -6.264 -1.822 1.00 0.00 C ATOM 532 CD1 TYR A 96 6.079 -7.175 -1.802 1.00 0.00 C ATOM 533 CD2 TYR A 96 8.376 -6.711 -2.208 1.00 0.00 C ATOM 534 CE1 TYR A 96 6.279 -8.498 -2.150 1.00 0.00 C ATOM 535 CE2 TYR A 96 8.589 -8.025 -2.559 1.00 0.00 C ATOM 536 CZ TYR A 96 7.539 -8.919 -2.527 1.00 0.00 C ATOM 537 OH TYR A 96 7.745 -10.234 -2.877 1.00 0.00 O ATOM 0 H TYR A 96 8.220 -4.496 -3.447 1.00 0.00 H new ATOM 0 HA TYR A 96 5.456 -4.550 -3.051 1.00 0.00 H new ATOM 0 HB2 TYR A 96 7.842 -4.361 -1.162 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.213 -4.738 -0.637 1.00 0.00 H new ATOM 0 HD1 TYR A 96 5.093 -6.845 -1.510 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.202 -6.016 -2.235 1.00 0.00 H new ATOM 0 HE1 TYR A 96 5.456 -9.197 -2.127 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.573 -8.354 -2.858 1.00 0.00 H new ATOM 0 HH TYR A 96 8.686 -10.365 -3.117 1.00 0.00 H new ATOM 547 N LEU A 97 6.771 -1.710 -2.064 1.00 0.00 N ATOM 548 CA LEU A 97 6.368 -0.360 -1.697 1.00 0.00 C ATOM 549 C LEU A 97 5.697 0.362 -2.860 1.00 0.00 C ATOM 550 O LEU A 97 4.554 0.804 -2.745 1.00 0.00 O ATOM 551 CB LEU A 97 7.559 0.453 -1.204 1.00 0.00 C ATOM 552 CG LEU A 97 7.268 1.933 -0.965 1.00 0.00 C ATOM 553 CD1 LEU A 97 5.922 2.113 -0.277 1.00 0.00 C ATOM 554 CD2 LEU A 97 8.384 2.561 -0.152 1.00 0.00 C ATOM 0 H LEU A 97 7.778 -1.854 -2.140 1.00 0.00 H new ATOM 0 HA LEU A 97 5.644 -0.453 -0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.922 0.014 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.365 0.369 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 97 7.219 2.439 -1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.735 3.175 -0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.134 1.696 -0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.932 1.597 0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.165 3.616 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.464 2.053 0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.326 2.465 -0.692 1.00 0.00 H new ATOM 566 N LYS A 98 6.410 0.483 -3.976 1.00 0.00 N ATOM 567 CA LYS A 98 5.871 1.158 -5.151 1.00 0.00 C ATOM 568 C LYS A 98 4.481 0.629 -5.471 1.00 0.00 C ATOM 569 O LYS A 98 3.575 1.386 -5.817 1.00 0.00 O ATOM 570 CB LYS A 98 6.802 0.958 -6.352 1.00 0.00 C ATOM 571 CG LYS A 98 6.298 1.596 -7.636 1.00 0.00 C ATOM 572 CD LYS A 98 7.257 1.364 -8.796 1.00 0.00 C ATOM 573 CE LYS A 98 7.387 -0.113 -9.134 1.00 0.00 C ATOM 574 NZ LYS A 98 8.315 -0.344 -10.276 1.00 0.00 N ATOM 0 H LYS A 98 7.358 0.124 -4.091 1.00 0.00 H new ATOM 0 HA LYS A 98 5.799 2.225 -4.938 1.00 0.00 H new ATOM 0 HB2 LYS A 98 7.782 1.372 -6.113 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.939 -0.110 -6.519 1.00 0.00 H new ATOM 0 HG2 LYS A 98 5.319 1.186 -7.886 1.00 0.00 H new ATOM 0 HG3 LYS A 98 6.166 2.667 -7.482 1.00 0.00 H new ATOM 0 HD2 LYS A 98 6.905 1.908 -9.673 1.00 0.00 H new ATOM 0 HD3 LYS A 98 8.238 1.767 -8.543 1.00 0.00 H new ATOM 0 HE2 LYS A 98 7.747 -0.655 -8.259 1.00 0.00 H new ATOM 0 HE3 LYS A 98 6.404 -0.517 -9.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.375 -1.363 -10.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 7.959 0.152 -11.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.260 0.018 -10.034 1.00 0.00 H new ATOM 588 N ARG A 99 4.328 -0.681 -5.346 1.00 0.00 N ATOM 589 CA ARG A 99 3.063 -1.339 -5.609 1.00 0.00 C ATOM 590 C ARG A 99 2.026 -1.031 -4.548 1.00 0.00 C ATOM 591 O ARG A 99 1.000 -0.432 -4.847 1.00 0.00 O ATOM 592 CB ARG A 99 3.279 -2.844 -5.718 1.00 0.00 C ATOM 593 CG ARG A 99 4.054 -3.266 -6.959 1.00 0.00 C ATOM 594 CD ARG A 99 3.374 -2.793 -8.232 1.00 0.00 C ATOM 595 NE ARG A 99 4.037 -3.304 -9.430 1.00 0.00 N ATOM 596 CZ ARG A 99 3.624 -3.052 -10.669 1.00 0.00 C ATOM 597 NH1 ARG A 99 2.548 -2.303 -10.874 1.00 0.00 N ATOM 598 NH2 ARG A 99 4.285 -3.550 -11.705 1.00 0.00 N ATOM 0 H ARG A 99 5.076 -1.313 -5.060 1.00 0.00 H new ATOM 0 HA ARG A 99 2.679 -0.954 -6.553 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.813 -3.190 -4.833 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.309 -3.342 -5.720 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.064 -2.859 -6.913 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.148 -4.352 -6.978 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.333 -3.116 -8.228 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.370 -1.703 -8.257 1.00 0.00 H new ATOM 0 HE ARG A 99 4.865 -3.888 -9.309 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.035 -1.919 -10.080 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.234 -2.111 -11.825 1.00 0.00 H new ATOM 0 HH21 ARG A 99 5.112 -4.128 -11.553 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.967 -3.356 -12.654 1.00 0.00 H new ATOM 612 N THR A 100 2.282 -1.453 -3.324 1.00 0.00 N ATOM 613 CA THR A 100 1.339 -1.238 -2.242 1.00 0.00 C ATOM 614 C THR A 100 0.863 0.203 -2.139 1.00 0.00 C ATOM 615 O THR A 100 -0.214 0.459 -1.613 1.00 0.00 O ATOM 616 CB THR A 100 1.894 -1.675 -0.890 1.00 0.00 C ATOM 617 OG1 THR A 100 3.073 -0.927 -0.576 1.00 0.00 O ATOM 618 CG2 THR A 100 2.211 -3.156 -0.874 1.00 0.00 C ATOM 0 H THR A 100 3.133 -1.946 -3.054 1.00 0.00 H new ATOM 0 HA THR A 100 0.484 -1.864 -2.496 1.00 0.00 H new ATOM 0 HB THR A 100 1.128 -1.482 -0.139 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.843 -1.320 -1.038 1.00 0.00 H new ATOM 0 HG21 THR A 100 2.604 -3.433 0.104 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.303 -3.725 -1.074 1.00 0.00 H new ATOM 0 HG23 THR A 100 2.954 -3.377 -1.640 1.00 0.00 H new ATOM 626 N VAL A 101 1.652 1.136 -2.636 1.00 0.00 N ATOM 627 CA VAL A 101 1.279 2.539 -2.593 1.00 0.00 C ATOM 628 C VAL A 101 0.110 2.813 -3.511 1.00 0.00 C ATOM 629 O VAL A 101 -0.907 3.365 -3.100 1.00 0.00 O ATOM 630 CB VAL A 101 2.461 3.401 -3.020 1.00 0.00 C ATOM 631 CG1 VAL A 101 2.012 4.772 -3.483 1.00 0.00 C ATOM 632 CG2 VAL A 101 3.458 3.487 -1.889 1.00 0.00 C ATOM 0 H VAL A 101 2.554 0.950 -3.074 1.00 0.00 H new ATOM 0 HA VAL A 101 0.990 2.783 -1.571 1.00 0.00 H new ATOM 0 HB VAL A 101 2.948 2.933 -3.875 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.881 5.359 -3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.338 4.666 -4.333 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.493 5.279 -2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 101 4.303 4.104 -2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.981 3.933 -1.016 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.811 2.487 -1.638 1.00 0.00 H new ATOM 642 N THR A 102 0.260 2.409 -4.755 1.00 0.00 N ATOM 643 CA THR A 102 -0.784 2.584 -5.733 1.00 0.00 C ATOM 644 C THR A 102 -1.893 1.583 -5.445 1.00 0.00 C ATOM 645 O THR A 102 -3.067 1.823 -5.722 1.00 0.00 O ATOM 646 CB THR A 102 -0.232 2.357 -7.144 1.00 0.00 C ATOM 647 OG1 THR A 102 0.679 3.406 -7.492 1.00 0.00 O ATOM 648 CG2 THR A 102 -1.347 2.275 -8.171 1.00 0.00 C ATOM 0 H THR A 102 1.101 1.955 -5.111 1.00 0.00 H new ATOM 0 HA THR A 102 -1.174 3.600 -5.675 1.00 0.00 H new ATOM 0 HB THR A 102 0.297 1.404 -7.146 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.027 3.251 -8.395 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.919 2.114 -9.160 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.010 1.446 -7.923 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.913 3.206 -8.168 1.00 0.00 H new ATOM 656 N GLU A 103 -1.486 0.462 -4.855 1.00 0.00 N ATOM 657 CA GLU A 103 -2.377 -0.597 -4.472 1.00 0.00 C ATOM 658 C GLU A 103 -3.316 -0.082 -3.407 1.00 0.00 C ATOM 659 O GLU A 103 -4.532 -0.263 -3.476 1.00 0.00 O ATOM 660 CB GLU A 103 -1.556 -1.761 -3.923 1.00 0.00 C ATOM 661 CG GLU A 103 -0.796 -2.540 -4.975 1.00 0.00 C ATOM 662 CD GLU A 103 -1.708 -3.332 -5.893 1.00 0.00 C ATOM 663 OE1 GLU A 103 -2.484 -4.166 -5.383 1.00 0.00 O ATOM 664 OE2 GLU A 103 -1.646 -3.119 -7.121 1.00 0.00 O ATOM 0 H GLU A 103 -0.509 0.274 -4.632 1.00 0.00 H new ATOM 0 HA GLU A 103 -2.955 -0.937 -5.331 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -0.847 -1.376 -3.190 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.222 -2.442 -3.394 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -0.199 -1.850 -5.571 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.101 -3.221 -4.485 1.00 0.00 H new ATOM 671 N LEU A 104 -2.725 0.593 -2.431 1.00 0.00 N ATOM 672 CA LEU A 104 -3.480 1.181 -1.349 1.00 0.00 C ATOM 673 C LEU A 104 -4.216 2.392 -1.891 1.00 0.00 C ATOM 674 O LEU A 104 -5.329 2.700 -1.479 1.00 0.00 O ATOM 675 CB LEU A 104 -2.548 1.545 -0.177 1.00 0.00 C ATOM 676 CG LEU A 104 -1.585 2.712 -0.381 1.00 0.00 C ATOM 677 CD1 LEU A 104 -2.321 4.032 -0.410 1.00 0.00 C ATOM 678 CD2 LEU A 104 -0.558 2.725 0.725 1.00 0.00 C ATOM 0 H LEU A 104 -1.718 0.744 -2.372 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.208 0.470 -0.957 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.169 1.769 0.690 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.959 0.662 0.072 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.089 2.579 -1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.608 4.843 -0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.041 4.029 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.846 4.177 0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.127 3.559 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.060 2.835 1.686 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.001 1.790 0.713 1.00 0.00 H new ATOM 690 N ASP A 105 -3.572 3.053 -2.850 1.00 0.00 N ATOM 691 CA ASP A 105 -4.130 4.223 -3.512 1.00 0.00 C ATOM 692 C ASP A 105 -5.273 3.809 -4.418 1.00 0.00 C ATOM 693 O ASP A 105 -6.058 4.637 -4.872 1.00 0.00 O ATOM 694 CB ASP A 105 -3.059 4.909 -4.353 1.00 0.00 C ATOM 695 CG ASP A 105 -3.556 6.183 -5.005 1.00 0.00 C ATOM 696 OD1 ASP A 105 -3.986 7.096 -4.274 1.00 0.00 O ATOM 697 OD2 ASP A 105 -3.517 6.266 -6.251 1.00 0.00 O ATOM 0 H ASP A 105 -2.647 2.789 -3.189 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.494 4.911 -2.750 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -2.200 5.139 -3.723 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.713 4.222 -5.125 1.00 0.00 H new ATOM 702 N SER A 106 -5.337 2.512 -4.684 1.00 0.00 N ATOM 703 CA SER A 106 -6.360 1.947 -5.548 1.00 0.00 C ATOM 704 C SER A 106 -7.580 1.566 -4.740 1.00 0.00 C ATOM 705 O SER A 106 -8.675 2.075 -4.962 1.00 0.00 O ATOM 706 CB SER A 106 -5.809 0.721 -6.279 1.00 0.00 C ATOM 707 OG SER A 106 -6.796 0.133 -7.107 1.00 0.00 O ATOM 0 H SER A 106 -4.683 1.825 -4.308 1.00 0.00 H new ATOM 0 HA SER A 106 -6.650 2.697 -6.283 1.00 0.00 H new ATOM 0 HB2 SER A 106 -4.949 1.010 -6.883 1.00 0.00 H new ATOM 0 HB3 SER A 106 -5.457 -0.011 -5.552 1.00 0.00 H new ATOM 0 HG SER A 106 -6.417 -0.647 -7.564 1.00 0.00 H new ATOM 713 N VAL A 107 -7.370 0.679 -3.789 1.00 0.00 N ATOM 714 CA VAL A 107 -8.430 0.224 -2.922 1.00 0.00 C ATOM 715 C VAL A 107 -9.069 1.407 -2.225 1.00 0.00 C ATOM 716 O VAL A 107 -10.289 1.512 -2.130 1.00 0.00 O ATOM 717 CB VAL A 107 -7.865 -0.742 -1.880 1.00 0.00 C ATOM 718 CG1 VAL A 107 -8.972 -1.360 -1.058 1.00 0.00 C ATOM 719 CG2 VAL A 107 -7.038 -1.804 -2.570 1.00 0.00 C ATOM 0 H VAL A 107 -6.462 0.256 -3.598 1.00 0.00 H new ATOM 0 HA VAL A 107 -9.183 -0.289 -3.519 1.00 0.00 H new ATOM 0 HB VAL A 107 -7.224 -0.188 -1.194 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -8.543 -2.043 -0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -9.525 -0.574 -0.543 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -9.648 -1.909 -1.713 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -6.636 -2.492 -1.826 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -7.665 -2.354 -3.272 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -6.217 -1.332 -3.110 1.00 0.00 H new ATOM 729 N THR A 108 -8.217 2.298 -1.752 1.00 0.00 N ATOM 730 CA THR A 108 -8.660 3.505 -1.069 1.00 0.00 C ATOM 731 C THR A 108 -9.486 4.359 -1.992 1.00 0.00 C ATOM 732 O THR A 108 -10.423 5.041 -1.581 1.00 0.00 O ATOM 733 CB THR A 108 -7.448 4.319 -0.588 1.00 0.00 C ATOM 734 OG1 THR A 108 -7.803 5.130 0.537 1.00 0.00 O ATOM 735 CG2 THR A 108 -6.909 5.204 -1.703 1.00 0.00 C ATOM 0 H THR A 108 -7.204 2.209 -1.828 1.00 0.00 H new ATOM 0 HA THR A 108 -9.265 3.207 -0.213 1.00 0.00 H new ATOM 0 HB THR A 108 -6.671 3.614 -0.292 1.00 0.00 H new ATOM 0 HG1 THR A 108 -7.020 5.641 0.832 1.00 0.00 H new ATOM 0 HG21 THR A 108 -6.052 5.769 -1.337 1.00 0.00 H new ATOM 0 HG22 THR A 108 -6.601 4.583 -2.544 1.00 0.00 H new ATOM 0 HG23 THR A 108 -7.687 5.895 -2.028 1.00 0.00 H new ATOM 743 N ALA A 109 -9.091 4.322 -3.231 1.00 0.00 N ATOM 744 CA ALA A 109 -9.720 5.087 -4.265 1.00 0.00 C ATOM 745 C ALA A 109 -11.116 4.578 -4.591 1.00 0.00 C ATOM 746 O ALA A 109 -12.048 5.362 -4.770 1.00 0.00 O ATOM 747 CB ALA A 109 -8.812 5.029 -5.468 1.00 0.00 C ATOM 0 H ALA A 109 -8.311 3.750 -3.555 1.00 0.00 H new ATOM 0 HA ALA A 109 -9.860 6.117 -3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -9.253 5.601 -6.285 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -7.841 5.452 -5.212 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -8.685 3.992 -5.778 1.00 0.00 H new ATOM 753 N ARG A 110 -11.252 3.265 -4.681 1.00 0.00 N ATOM 754 CA ARG A 110 -12.520 2.653 -4.998 1.00 0.00 C ATOM 755 C ARG A 110 -13.435 2.584 -3.786 1.00 0.00 C ATOM 756 O ARG A 110 -14.649 2.712 -3.908 1.00 0.00 O ATOM 757 CB ARG A 110 -12.307 1.256 -5.590 1.00 0.00 C ATOM 758 CG ARG A 110 -11.788 1.261 -7.024 1.00 0.00 C ATOM 759 CD ARG A 110 -10.513 2.078 -7.172 1.00 0.00 C ATOM 760 NE ARG A 110 -9.955 1.996 -8.521 1.00 0.00 N ATOM 761 CZ ARG A 110 -10.558 2.473 -9.608 1.00 0.00 C ATOM 762 NH1 ARG A 110 -11.734 3.079 -9.512 1.00 0.00 N ATOM 763 NH2 ARG A 110 -9.979 2.346 -10.795 1.00 0.00 N ATOM 0 H ARG A 110 -10.490 2.603 -4.537 1.00 0.00 H new ATOM 0 HA ARG A 110 -13.010 3.282 -5.741 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -11.603 0.710 -4.962 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -13.251 0.712 -5.558 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -11.600 0.236 -7.344 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -12.555 1.665 -7.685 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -10.722 3.120 -6.930 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -9.773 1.726 -6.453 1.00 0.00 H new ATOM 0 HE ARG A 110 -9.047 1.545 -8.637 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -12.182 3.182 -8.601 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -12.190 3.442 -10.349 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -9.073 1.883 -10.874 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -10.440 2.711 -11.629 1.00 0.00 H new ATOM 777 N LEU A 111 -12.835 2.386 -2.623 1.00 0.00 N ATOM 778 CA LEU A 111 -13.579 2.288 -1.366 1.00 0.00 C ATOM 779 C LEU A 111 -14.528 3.471 -1.217 1.00 0.00 C ATOM 780 O LEU A 111 -15.632 3.342 -0.694 1.00 0.00 O ATOM 781 CB LEU A 111 -12.593 2.238 -0.187 1.00 0.00 C ATOM 782 CG LEU A 111 -13.147 1.732 1.152 1.00 0.00 C ATOM 783 CD1 LEU A 111 -12.034 1.656 2.188 1.00 0.00 C ATOM 784 CD2 LEU A 111 -14.269 2.619 1.659 1.00 0.00 C ATOM 0 H LEU A 111 -11.825 2.289 -2.518 1.00 0.00 H new ATOM 0 HA LEU A 111 -14.173 1.374 -1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.755 1.602 -0.471 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -12.194 3.241 -0.034 1.00 0.00 H new ATOM 0 HG LEU A 111 -13.554 0.734 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -12.441 1.296 3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -11.260 0.971 1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -11.603 2.647 2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -14.638 2.232 2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -13.895 3.633 1.801 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -15.081 2.630 0.932 1.00 0.00 H new ATOM 796 N ARG A 112 -14.071 4.618 -1.686 1.00 0.00 N ATOM 797 CA ARG A 112 -14.827 5.854 -1.625 1.00 0.00 C ATOM 798 C ARG A 112 -16.202 5.705 -2.254 1.00 0.00 C ATOM 799 O ARG A 112 -17.196 6.231 -1.754 1.00 0.00 O ATOM 800 CB ARG A 112 -14.079 6.939 -2.385 1.00 0.00 C ATOM 801 CG ARG A 112 -12.588 6.962 -2.135 1.00 0.00 C ATOM 802 CD ARG A 112 -11.920 7.979 -3.040 1.00 0.00 C ATOM 803 NE ARG A 112 -12.361 9.342 -2.748 1.00 0.00 N ATOM 804 CZ ARG A 112 -11.915 10.417 -3.391 1.00 0.00 C ATOM 805 NH1 ARG A 112 -11.005 10.293 -4.349 1.00 0.00 N ATOM 806 NH2 ARG A 112 -12.377 11.619 -3.075 1.00 0.00 N ATOM 0 H ARG A 112 -13.155 4.718 -2.124 1.00 0.00 H new ATOM 0 HA ARG A 112 -14.946 6.115 -0.573 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -14.254 6.804 -3.452 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -14.496 7.909 -2.113 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -12.391 7.208 -1.092 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -12.167 5.973 -2.314 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -10.838 7.914 -2.922 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -12.142 7.741 -4.080 1.00 0.00 H new ATOM 0 HE ARG A 112 -13.051 9.476 -2.008 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -10.645 9.371 -4.594 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -10.665 11.120 -4.840 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -13.075 11.720 -2.338 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -12.034 12.443 -3.569 1.00 0.00 H new ATOM 820 N GLU A 113 -16.233 5.011 -3.379 1.00 0.00 N ATOM 821 CA GLU A 113 -17.439 4.801 -4.126 1.00 0.00 C ATOM 822 C GLU A 113 -18.125 3.524 -3.697 1.00 0.00 C ATOM 823 O GLU A 113 -19.348 3.398 -3.775 1.00 0.00 O ATOM 824 CB GLU A 113 -17.109 4.755 -5.613 1.00 0.00 C ATOM 825 CG GLU A 113 -18.314 4.438 -6.470 1.00 0.00 C ATOM 826 CD GLU A 113 -18.025 4.531 -7.956 1.00 0.00 C ATOM 827 OE1 GLU A 113 -17.147 3.785 -8.437 1.00 0.00 O ATOM 828 OE2 GLU A 113 -18.677 5.349 -8.637 1.00 0.00 O ATOM 0 H GLU A 113 -15.408 4.578 -3.795 1.00 0.00 H new ATOM 0 HA GLU A 113 -18.123 5.627 -3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -16.694 5.715 -5.918 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -16.338 4.005 -5.787 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -18.665 3.433 -6.236 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -19.122 5.125 -6.219 1.00 0.00 H new ATOM 835 N VAL A 114 -17.322 2.573 -3.262 1.00 0.00 N ATOM 836 CA VAL A 114 -17.835 1.290 -2.837 1.00 0.00 C ATOM 837 C VAL A 114 -18.826 1.446 -1.696 1.00 0.00 C ATOM 838 O VAL A 114 -19.897 0.841 -1.698 1.00 0.00 O ATOM 839 CB VAL A 114 -16.708 0.349 -2.401 1.00 0.00 C ATOM 840 CG1 VAL A 114 -17.266 -1.009 -2.047 1.00 0.00 C ATOM 841 CG2 VAL A 114 -15.674 0.228 -3.494 1.00 0.00 C ATOM 0 H VAL A 114 -16.309 2.667 -3.194 1.00 0.00 H new ATOM 0 HA VAL A 114 -18.343 0.854 -3.697 1.00 0.00 H new ATOM 0 HB VAL A 114 -16.228 0.766 -1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -16.454 -1.667 -1.739 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -17.980 -0.907 -1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -17.768 -1.434 -2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -14.879 -0.444 -3.170 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -16.141 -0.170 -4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -15.254 1.211 -3.708 1.00 0.00 H new ATOM 851 N GLU A 115 -18.458 2.266 -0.726 1.00 0.00 N ATOM 852 CA GLU A 115 -19.309 2.517 0.425 1.00 0.00 C ATOM 853 C GLU A 115 -20.660 3.016 -0.024 1.00 0.00 C ATOM 854 O GLU A 115 -21.714 2.590 0.445 1.00 0.00 O ATOM 855 CB GLU A 115 -18.671 3.554 1.331 1.00 0.00 C ATOM 856 CG GLU A 115 -17.979 4.653 0.568 1.00 0.00 C ATOM 857 CD GLU A 115 -17.235 5.620 1.471 1.00 0.00 C ATOM 858 OE1 GLU A 115 -17.317 5.462 2.707 1.00 0.00 O ATOM 859 OE2 GLU A 115 -16.577 6.538 0.941 1.00 0.00 O ATOM 0 H GLU A 115 -17.572 2.771 -0.713 1.00 0.00 H new ATOM 0 HA GLU A 115 -19.432 1.582 0.972 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -19.438 3.990 1.971 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -17.950 3.063 1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -17.277 4.211 -0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -18.717 5.203 -0.016 1.00 0.00 H new ATOM 866 N HIS A 116 -20.574 3.951 -0.932 1.00 0.00 N ATOM 867 CA HIS A 116 -21.723 4.617 -1.513 1.00 0.00 C ATOM 868 C HIS A 116 -22.699 3.640 -2.173 1.00 0.00 C ATOM 869 O HIS A 116 -23.852 3.535 -1.755 1.00 0.00 O ATOM 870 CB HIS A 116 -21.214 5.631 -2.523 1.00 0.00 C ATOM 871 CG HIS A 116 -22.254 6.597 -2.992 1.00 0.00 C ATOM 872 ND1 HIS A 116 -22.951 7.432 -2.145 1.00 0.00 N ATOM 873 CD2 HIS A 116 -22.712 6.854 -4.235 1.00 0.00 C ATOM 874 CE1 HIS A 116 -23.796 8.163 -2.852 1.00 0.00 C ATOM 875 NE2 HIS A 116 -23.670 7.832 -4.123 1.00 0.00 N ATOM 0 H HIS A 116 -19.683 4.283 -1.302 1.00 0.00 H new ATOM 0 HA HIS A 116 -22.283 5.109 -0.718 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -20.389 6.188 -2.079 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -20.812 5.099 -3.385 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -22.386 6.379 -5.148 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -24.474 8.905 -2.456 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -24.198 8.236 -4.896 1.00 0.00 H new ATOM 884 N ARG A 117 -22.244 2.940 -3.210 1.00 0.00 N ATOM 885 CA ARG A 117 -23.102 1.993 -3.924 1.00 0.00 C ATOM 886 C ARG A 117 -22.309 0.805 -4.472 1.00 0.00 C ATOM 887 O ARG A 117 -22.383 0.499 -5.663 1.00 0.00 O ATOM 888 CB ARG A 117 -23.816 2.701 -5.079 1.00 0.00 C ATOM 889 CG ARG A 117 -24.587 3.934 -4.647 1.00 0.00 C ATOM 890 CD ARG A 117 -25.252 4.622 -5.830 1.00 0.00 C ATOM 891 NE ARG A 117 -26.184 3.738 -6.526 1.00 0.00 N ATOM 892 CZ ARG A 117 -26.893 4.103 -7.589 1.00 0.00 C ATOM 893 NH1 ARG A 117 -26.782 5.332 -8.076 1.00 0.00 N ATOM 894 NH2 ARG A 117 -27.716 3.239 -8.168 1.00 0.00 N ATOM 0 H ARG A 117 -21.294 3.009 -3.574 1.00 0.00 H new ATOM 0 HA ARG A 117 -23.832 1.612 -3.210 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -23.080 2.987 -5.830 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -24.502 2.001 -5.555 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -25.345 3.652 -3.916 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -23.911 4.632 -4.152 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -25.784 5.507 -5.482 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -24.487 4.963 -6.527 1.00 0.00 H new ATOM 0 HE ARG A 117 -26.297 2.787 -6.176 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -26.151 6.000 -7.634 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -27.328 5.608 -8.892 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -27.805 2.293 -7.797 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -28.260 3.521 -8.984 1.00 0.00 H new ATOM 908 N ALA A 118 -21.560 0.134 -3.601 1.00 0.00 N ATOM 909 CA ALA A 118 -20.765 -1.024 -4.006 1.00 0.00 C ATOM 910 C ALA A 118 -19.864 -0.683 -5.191 1.00 0.00 C ATOM 911 O ALA A 118 -19.353 0.433 -5.291 1.00 0.00 O ATOM 912 CB ALA A 118 -21.683 -2.189 -4.351 1.00 0.00 C ATOM 0 H ALA A 118 -21.486 0.371 -2.612 1.00 0.00 H new ATOM 0 HA ALA A 118 -20.125 -1.312 -3.172 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -21.083 -3.048 -4.652 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -22.281 -2.452 -3.478 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -22.343 -1.902 -5.170 1.00 0.00 H new ATOM 918 N GLY A 119 -19.674 -1.645 -6.091 1.00 0.00 N ATOM 919 CA GLY A 119 -18.837 -1.417 -7.255 1.00 0.00 C ATOM 920 C GLY A 119 -18.713 -2.646 -8.131 1.00 0.00 C ATOM 921 O GLY A 119 -19.709 -3.308 -8.428 1.00 0.00 O ATOM 0 H GLY A 119 -20.085 -2.577 -6.034 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -19.252 -0.597 -7.842 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -17.845 -1.106 -6.929 1.00 0.00 H new ATOM 925 N GLU A 120 -17.489 -2.953 -8.547 1.00 0.00 N ATOM 926 CA GLU A 120 -17.234 -4.111 -9.397 1.00 0.00 C ATOM 927 C GLU A 120 -17.650 -5.400 -8.696 1.00 0.00 C ATOM 928 O GLU A 120 -18.593 -6.060 -9.181 1.00 0.00 O ATOM 929 CB GLU A 120 -15.753 -4.176 -9.775 1.00 0.00 C ATOM 930 CG GLU A 120 -15.411 -5.330 -10.704 1.00 0.00 C ATOM 931 CD GLU A 120 -13.936 -5.383 -11.049 1.00 0.00 C ATOM 932 OE1 GLU A 120 -13.117 -5.575 -10.126 1.00 0.00 O ATOM 933 OE2 GLU A 120 -13.599 -5.229 -12.241 1.00 0.00 O ATOM 934 OXT GLU A 120 -17.028 -5.741 -7.666 1.00 0.00 O ATOM 0 H GLU A 120 -16.656 -2.415 -8.309 1.00 0.00 H new ATOM 0 HA GLU A 120 -17.828 -4.004 -10.305 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -15.467 -3.239 -10.253 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -15.158 -4.264 -8.866 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -15.704 -6.269 -10.234 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -15.992 -5.237 -11.622 1.00 0.00 H new TER 941 GLU A 120 ATOM 942 N ALA B 61 9.823 6.301 -13.300 1.00 0.00 N ATOM 943 CA ALA B 61 8.971 7.234 -12.518 1.00 0.00 C ATOM 944 C ALA B 61 9.651 7.632 -11.212 1.00 0.00 C ATOM 945 O ALA B 61 10.216 6.789 -10.514 1.00 0.00 O ATOM 946 CB ALA B 61 7.618 6.601 -12.235 1.00 0.00 C ATOM 0 HA ALA B 61 8.822 8.136 -13.112 1.00 0.00 H new ATOM 0 HB1 ALA B 61 7.004 7.296 -11.661 1.00 0.00 H new ATOM 0 HB2 ALA B 61 7.120 6.370 -13.177 1.00 0.00 H new ATOM 0 HB3 ALA B 61 7.758 5.683 -11.664 1.00 0.00 H new ATOM 954 N SER B 62 9.591 8.920 -10.890 1.00 0.00 N ATOM 955 CA SER B 62 10.200 9.432 -9.667 1.00 0.00 C ATOM 956 C SER B 62 9.587 8.767 -8.438 1.00 0.00 C ATOM 957 O SER B 62 8.370 8.607 -8.349 1.00 0.00 O ATOM 958 CB SER B 62 10.024 10.949 -9.579 1.00 0.00 C ATOM 959 OG SER B 62 10.627 11.597 -10.687 1.00 0.00 O ATOM 0 H SER B 62 9.127 9.628 -11.459 1.00 0.00 H new ATOM 0 HA SER B 62 11.264 9.198 -9.695 1.00 0.00 H new ATOM 0 HB2 SER B 62 8.962 11.194 -9.544 1.00 0.00 H new ATOM 0 HB3 SER B 62 10.467 11.317 -8.653 1.00 0.00 H new ATOM 0 HG SER B 62 10.499 12.566 -10.609 1.00 0.00 H new ATOM 965 N ASP B 63 10.440 8.382 -7.494 1.00 0.00 N ATOM 966 CA ASP B 63 9.982 7.734 -6.270 1.00 0.00 C ATOM 967 C ASP B 63 9.075 8.661 -5.470 1.00 0.00 C ATOM 968 O ASP B 63 8.029 8.244 -4.974 1.00 0.00 O ATOM 969 CB ASP B 63 11.179 7.309 -5.416 1.00 0.00 C ATOM 970 CG ASP B 63 12.036 8.485 -4.990 1.00 0.00 C ATOM 971 OD1 ASP B 63 12.564 9.186 -5.878 1.00 0.00 O ATOM 972 OD2 ASP B 63 12.176 8.706 -3.769 1.00 0.00 O ATOM 0 H ASP B 63 11.451 8.507 -7.553 1.00 0.00 H new ATOM 0 HA ASP B 63 9.410 6.849 -6.549 1.00 0.00 H new ATOM 0 HB2 ASP B 63 10.821 6.785 -4.530 1.00 0.00 H new ATOM 0 HB3 ASP B 63 11.790 6.603 -5.979 1.00 0.00 H new ATOM 977 N ASP B 64 9.484 9.920 -5.347 1.00 0.00 N ATOM 978 CA ASP B 64 8.713 10.911 -4.605 1.00 0.00 C ATOM 979 C ASP B 64 7.320 11.091 -5.199 1.00 0.00 C ATOM 980 O ASP B 64 6.366 11.380 -4.480 1.00 0.00 O ATOM 981 CB ASP B 64 9.446 12.253 -4.583 1.00 0.00 C ATOM 982 CG ASP B 64 8.663 13.324 -3.847 1.00 0.00 C ATOM 983 OD1 ASP B 64 8.379 13.133 -2.647 1.00 0.00 O ATOM 984 OD2 ASP B 64 8.333 14.353 -4.474 1.00 0.00 O ATOM 0 H ASP B 64 10.348 10.279 -5.753 1.00 0.00 H new ATOM 0 HA ASP B 64 8.604 10.546 -3.584 1.00 0.00 H new ATOM 0 HB2 ASP B 64 10.419 12.126 -4.108 1.00 0.00 H new ATOM 0 HB3 ASP B 64 9.632 12.580 -5.606 1.00 0.00 H new ATOM 989 N GLU B 65 7.209 10.929 -6.515 1.00 0.00 N ATOM 990 CA GLU B 65 5.927 11.082 -7.195 1.00 0.00 C ATOM 991 C GLU B 65 4.867 10.183 -6.566 1.00 0.00 C ATOM 992 O GLU B 65 3.772 10.636 -6.235 1.00 0.00 O ATOM 993 CB GLU B 65 6.071 10.755 -8.683 1.00 0.00 C ATOM 994 CG GLU B 65 4.772 10.892 -9.464 1.00 0.00 C ATOM 995 CD GLU B 65 4.221 12.303 -9.436 1.00 0.00 C ATOM 996 OE1 GLU B 65 4.900 13.216 -9.950 1.00 0.00 O ATOM 997 OE2 GLU B 65 3.112 12.497 -8.898 1.00 0.00 O ATOM 0 H GLU B 65 7.988 10.693 -7.129 1.00 0.00 H new ATOM 0 HA GLU B 65 5.610 12.119 -7.088 1.00 0.00 H new ATOM 0 HB2 GLU B 65 6.820 11.415 -9.121 1.00 0.00 H new ATOM 0 HB3 GLU B 65 6.443 9.736 -8.788 1.00 0.00 H new ATOM 0 HG2 GLU B 65 4.941 10.592 -10.498 1.00 0.00 H new ATOM 0 HG3 GLU B 65 4.030 10.208 -9.051 1.00 0.00 H new ATOM 1004 N LEU B 66 5.203 8.909 -6.400 1.00 0.00 N ATOM 1005 CA LEU B 66 4.284 7.946 -5.803 1.00 0.00 C ATOM 1006 C LEU B 66 4.211 8.141 -4.296 1.00 0.00 C ATOM 1007 O LEU B 66 3.128 8.170 -3.713 1.00 0.00 O ATOM 1008 CB LEU B 66 4.722 6.513 -6.116 1.00 0.00 C ATOM 1009 CG LEU B 66 4.692 6.122 -7.597 1.00 0.00 C ATOM 1010 CD1 LEU B 66 5.741 6.894 -8.384 1.00 0.00 C ATOM 1011 CD2 LEU B 66 4.904 4.626 -7.752 1.00 0.00 C ATOM 0 H LEU B 66 6.106 8.518 -6.670 1.00 0.00 H new ATOM 0 HA LEU B 66 3.296 8.114 -6.232 1.00 0.00 H new ATOM 0 HB2 LEU B 66 5.736 6.372 -5.742 1.00 0.00 H new ATOM 0 HB3 LEU B 66 4.080 5.827 -5.564 1.00 0.00 H new ATOM 0 HG LEU B 66 3.712 6.379 -7.998 1.00 0.00 H new ATOM 0 HD11 LEU B 66 5.700 6.599 -9.432 1.00 0.00 H new ATOM 0 HD12 LEU B 66 5.545 7.963 -8.300 1.00 0.00 H new ATOM 0 HD13 LEU B 66 6.731 6.674 -7.984 1.00 0.00 H new ATOM 0 HD21 LEU B 66 4.880 4.363 -8.809 1.00 0.00 H new ATOM 0 HD22 LEU B 66 5.871 4.350 -7.331 1.00 0.00 H new ATOM 0 HD23 LEU B 66 4.113 4.090 -7.227 1.00 0.00 H new ATOM 1023 N PHE B 67 5.379 8.270 -3.677 1.00 0.00 N ATOM 1024 CA PHE B 67 5.477 8.459 -2.237 1.00 0.00 C ATOM 1025 C PHE B 67 4.660 9.663 -1.779 1.00 0.00 C ATOM 1026 O PHE B 67 4.136 9.682 -0.666 1.00 0.00 O ATOM 1027 CB PHE B 67 6.943 8.606 -1.832 1.00 0.00 C ATOM 1028 CG PHE B 67 7.752 7.356 -2.065 1.00 0.00 C ATOM 1029 CD1 PHE B 67 7.130 6.125 -2.223 1.00 0.00 C ATOM 1030 CD2 PHE B 67 9.133 7.414 -2.132 1.00 0.00 C ATOM 1031 CE1 PHE B 67 7.871 4.981 -2.441 1.00 0.00 C ATOM 1032 CE2 PHE B 67 9.880 6.271 -2.350 1.00 0.00 C ATOM 1033 CZ PHE B 67 9.248 5.053 -2.504 1.00 0.00 C ATOM 0 H PHE B 67 6.279 8.247 -4.157 1.00 0.00 H new ATOM 0 HA PHE B 67 5.062 7.580 -1.744 1.00 0.00 H new ATOM 0 HB2 PHE B 67 7.387 9.428 -2.393 1.00 0.00 H new ATOM 0 HB3 PHE B 67 6.997 8.874 -0.777 1.00 0.00 H new ATOM 0 HD1 PHE B 67 6.053 6.062 -2.175 1.00 0.00 H new ATOM 0 HD2 PHE B 67 9.633 8.364 -2.013 1.00 0.00 H new ATOM 0 HE1 PHE B 67 7.374 4.030 -2.562 1.00 0.00 H new ATOM 0 HE2 PHE B 67 10.957 6.331 -2.400 1.00 0.00 H new ATOM 0 HZ PHE B 67 9.830 4.159 -2.673 1.00 0.00 H new ATOM 1043 N SER B 68 4.543 10.659 -2.649 1.00 0.00 N ATOM 1044 CA SER B 68 3.776 11.856 -2.336 1.00 0.00 C ATOM 1045 C SER B 68 2.319 11.493 -2.070 1.00 0.00 C ATOM 1046 O SER B 68 1.678 12.062 -1.185 1.00 0.00 O ATOM 1047 CB SER B 68 3.867 12.867 -3.481 1.00 0.00 C ATOM 1048 OG SER B 68 3.140 14.045 -3.182 1.00 0.00 O ATOM 0 H SER B 68 4.969 10.661 -3.576 1.00 0.00 H new ATOM 0 HA SER B 68 4.196 12.311 -1.439 1.00 0.00 H new ATOM 0 HB2 SER B 68 4.911 13.118 -3.666 1.00 0.00 H new ATOM 0 HB3 SER B 68 3.480 12.420 -4.396 1.00 0.00 H new ATOM 0 HG SER B 68 3.216 14.675 -3.929 1.00 0.00 H new ATOM 1054 N MET B 69 1.803 10.535 -2.840 1.00 0.00 N ATOM 1055 CA MET B 69 0.424 10.083 -2.685 1.00 0.00 C ATOM 1056 C MET B 69 0.173 9.624 -1.254 1.00 0.00 C ATOM 1057 O MET B 69 -0.890 9.876 -0.688 1.00 0.00 O ATOM 1058 CB MET B 69 0.110 8.947 -3.672 1.00 0.00 C ATOM 1059 CG MET B 69 0.293 9.345 -5.125 1.00 0.00 C ATOM 1060 SD MET B 69 -0.198 8.043 -6.271 1.00 0.00 S ATOM 1061 CE MET B 69 0.940 6.741 -5.812 1.00 0.00 C ATOM 0 H MET B 69 2.321 10.058 -3.578 1.00 0.00 H new ATOM 0 HA MET B 69 -0.237 10.922 -2.904 1.00 0.00 H new ATOM 0 HB2 MET B 69 0.754 8.096 -3.452 1.00 0.00 H new ATOM 0 HB3 MET B 69 -0.918 8.617 -3.520 1.00 0.00 H new ATOM 0 HG2 MET B 69 -0.292 10.242 -5.328 1.00 0.00 H new ATOM 0 HG3 MET B 69 1.338 9.601 -5.298 1.00 0.00 H new ATOM 0 HE1 MET B 69 1.529 6.449 -6.682 1.00 0.00 H new ATOM 0 HE2 MET B 69 1.606 7.100 -5.027 1.00 0.00 H new ATOM 0 HE3 MET B 69 0.380 5.880 -5.447 1.00 0.00 H new ATOM 1071 N LEU B 70 1.162 8.949 -0.674 1.00 0.00 N ATOM 1072 CA LEU B 70 1.048 8.457 0.692 1.00 0.00 C ATOM 1073 C LEU B 70 1.130 9.598 1.696 1.00 0.00 C ATOM 1074 O LEU B 70 0.443 9.589 2.709 1.00 0.00 O ATOM 1075 CB LEU B 70 2.145 7.436 1.012 1.00 0.00 C ATOM 1076 CG LEU B 70 2.263 6.252 0.050 1.00 0.00 C ATOM 1077 CD1 LEU B 70 0.892 5.693 -0.303 1.00 0.00 C ATOM 1078 CD2 LEU B 70 3.008 6.669 -1.200 1.00 0.00 C ATOM 0 H LEU B 70 2.049 8.732 -1.129 1.00 0.00 H new ATOM 0 HA LEU B 70 0.074 7.973 0.772 1.00 0.00 H new ATOM 0 HB2 LEU B 70 3.102 7.957 1.035 1.00 0.00 H new ATOM 0 HB3 LEU B 70 1.970 7.047 2.015 1.00 0.00 H new ATOM 0 HG LEU B 70 2.826 5.462 0.547 1.00 0.00 H new ATOM 0 HD11 LEU B 70 1.007 4.853 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU B 70 0.392 5.355 0.605 1.00 0.00 H new ATOM 0 HD13 LEU B 70 0.294 6.470 -0.779 1.00 0.00 H new ATOM 0 HD21 LEU B 70 3.086 5.819 -1.878 1.00 0.00 H new ATOM 0 HD22 LEU B 70 2.468 7.477 -1.693 1.00 0.00 H new ATOM 0 HD23 LEU B 70 4.007 7.012 -0.931 1.00 0.00 H new ATOM 1090 N ASP B 71 1.991 10.567 1.423 1.00 0.00 N ATOM 1091 CA ASP B 71 2.172 11.700 2.324 1.00 0.00 C ATOM 1092 C ASP B 71 0.841 12.372 2.661 1.00 0.00 C ATOM 1093 O ASP B 71 0.541 12.618 3.829 1.00 0.00 O ATOM 1094 CB ASP B 71 3.126 12.721 1.701 1.00 0.00 C ATOM 1095 CG ASP B 71 3.394 13.898 2.618 1.00 0.00 C ATOM 1096 OD1 ASP B 71 3.909 13.675 3.734 1.00 0.00 O ATOM 1097 OD2 ASP B 71 3.090 15.041 2.220 1.00 0.00 O ATOM 0 H ASP B 71 2.575 10.593 0.587 1.00 0.00 H new ATOM 0 HA ASP B 71 2.600 11.319 3.251 1.00 0.00 H new ATOM 0 HB2 ASP B 71 4.069 12.231 1.458 1.00 0.00 H new ATOM 0 HB3 ASP B 71 2.704 13.083 0.764 1.00 0.00 H new ATOM 1102 N GLN B 72 0.055 12.676 1.633 1.00 0.00 N ATOM 1103 CA GLN B 72 -1.237 13.339 1.817 1.00 0.00 C ATOM 1104 C GLN B 72 -2.282 12.418 2.449 1.00 0.00 C ATOM 1105 O GLN B 72 -3.081 12.854 3.275 1.00 0.00 O ATOM 1106 CB GLN B 72 -1.749 13.868 0.478 1.00 0.00 C ATOM 1107 CG GLN B 72 -0.833 14.904 -0.154 1.00 0.00 C ATOM 1108 CD GLN B 72 -1.371 15.438 -1.466 1.00 0.00 C ATOM 1109 OE1 GLN B 72 -1.574 14.686 -2.419 1.00 0.00 O ATOM 1110 NE2 GLN B 72 -1.603 16.744 -1.522 1.00 0.00 N ATOM 0 H GLN B 72 0.288 12.474 0.661 1.00 0.00 H new ATOM 0 HA GLN B 72 -1.078 14.169 2.506 1.00 0.00 H new ATOM 0 HB2 GLN B 72 -1.870 13.033 -0.212 1.00 0.00 H new ATOM 0 HB3 GLN B 72 -2.736 14.307 0.623 1.00 0.00 H new ATOM 0 HG2 GLN B 72 -0.694 15.732 0.541 1.00 0.00 H new ATOM 0 HG3 GLN B 72 0.149 14.461 -0.322 1.00 0.00 H new ATOM 0 HE21 GLN B 72 -1.420 17.330 -0.707 1.00 0.00 H new ATOM 0 HE22 GLN B 72 -1.964 17.162 -2.380 1.00 0.00 H new ATOM 1119 N ARG B 73 -2.292 11.155 2.044 1.00 0.00 N ATOM 1120 CA ARG B 73 -3.263 10.193 2.564 1.00 0.00 C ATOM 1121 C ARG B 73 -2.944 9.776 4.000 1.00 0.00 C ATOM 1122 O ARG B 73 -3.842 9.628 4.829 1.00 0.00 O ATOM 1123 CB ARG B 73 -3.307 8.956 1.666 1.00 0.00 C ATOM 1124 CG ARG B 73 -3.756 9.259 0.247 1.00 0.00 C ATOM 1125 CD ARG B 73 -3.747 8.012 -0.620 1.00 0.00 C ATOM 1126 NE ARG B 73 -4.225 8.285 -1.971 1.00 0.00 N ATOM 1127 CZ ARG B 73 -5.466 8.679 -2.252 1.00 0.00 C ATOM 1128 NH1 ARG B 73 -6.356 8.824 -1.280 1.00 0.00 N ATOM 1129 NH2 ARG B 73 -5.817 8.923 -3.507 1.00 0.00 N ATOM 0 H ARG B 73 -1.642 10.770 1.359 1.00 0.00 H new ATOM 0 HA ARG B 73 -4.237 10.682 2.568 1.00 0.00 H new ATOM 0 HB2 ARG B 73 -2.317 8.501 1.637 1.00 0.00 H new ATOM 0 HB3 ARG B 73 -3.982 8.221 2.104 1.00 0.00 H new ATOM 0 HG2 ARG B 73 -4.760 9.683 0.265 1.00 0.00 H new ATOM 0 HG3 ARG B 73 -3.100 10.012 -0.190 1.00 0.00 H new ATOM 0 HD2 ARG B 73 -2.735 7.610 -0.667 1.00 0.00 H new ATOM 0 HD3 ARG B 73 -4.373 7.246 -0.161 1.00 0.00 H new ATOM 0 HE ARG B 73 -3.571 8.167 -2.745 1.00 0.00 H new ATOM 0 HH11 ARG B 73 -6.091 8.634 -0.314 1.00 0.00 H new ATOM 0 HH12 ARG B 73 -7.305 9.126 -1.499 1.00 0.00 H new ATOM 0 HH21 ARG B 73 -5.137 8.809 -4.258 1.00 0.00 H new ATOM 0 HH22 ARG B 73 -6.768 9.225 -3.721 1.00 0.00 H new ATOM 1143 N PHE B 74 -1.665 9.565 4.274 1.00 0.00 N ATOM 1144 CA PHE B 74 -1.213 9.135 5.594 1.00 0.00 C ATOM 1145 C PHE B 74 -1.323 10.253 6.631 1.00 0.00 C ATOM 1146 O PHE B 74 -1.354 9.985 7.832 1.00 0.00 O ATOM 1147 CB PHE B 74 0.236 8.638 5.511 1.00 0.00 C ATOM 1148 CG PHE B 74 0.425 7.405 4.657 1.00 0.00 C ATOM 1149 CD1 PHE B 74 -0.600 6.924 3.852 1.00 0.00 C ATOM 1150 CD2 PHE B 74 1.634 6.727 4.662 1.00 0.00 C ATOM 1151 CE1 PHE B 74 -0.421 5.797 3.073 1.00 0.00 C ATOM 1152 CE2 PHE B 74 1.816 5.599 3.883 1.00 0.00 C ATOM 1153 CZ PHE B 74 0.787 5.134 3.087 1.00 0.00 C ATOM 0 H PHE B 74 -0.914 9.685 3.594 1.00 0.00 H new ATOM 0 HA PHE B 74 -1.864 8.323 5.918 1.00 0.00 H new ATOM 0 HB2 PHE B 74 0.860 9.439 5.114 1.00 0.00 H new ATOM 0 HB3 PHE B 74 0.593 8.425 6.519 1.00 0.00 H new ATOM 0 HD1 PHE B 74 -1.550 7.438 3.835 1.00 0.00 H new ATOM 0 HD2 PHE B 74 2.443 7.084 5.282 1.00 0.00 H new ATOM 0 HE1 PHE B 74 -1.228 5.436 2.453 1.00 0.00 H new ATOM 0 HE2 PHE B 74 2.764 5.081 3.897 1.00 0.00 H new ATOM 0 HZ PHE B 74 0.929 4.254 2.478 1.00 0.00 H new ATOM 1163 N GLY B 75 -1.383 11.502 6.173 1.00 0.00 N ATOM 1164 CA GLY B 75 -1.490 12.615 7.103 1.00 0.00 C ATOM 1165 C GLY B 75 -1.366 13.973 6.436 1.00 0.00 C ATOM 1166 O GLY B 75 -0.638 14.840 6.919 1.00 0.00 O ATOM 0 H GLY B 75 -1.360 11.762 5.187 1.00 0.00 H new ATOM 0 HA2 GLY B 75 -2.449 12.558 7.618 1.00 0.00 H new ATOM 0 HA3 GLY B 75 -0.714 12.520 7.863 1.00 0.00 H new ATOM 1170 N GLY B 76 -2.080 14.160 5.332 1.00 0.00 N ATOM 1171 CA GLY B 76 -2.038 15.428 4.621 1.00 0.00 C ATOM 1172 C GLY B 76 -0.624 15.881 4.313 1.00 0.00 C ATOM 1173 O GLY B 76 0.199 15.095 3.849 1.00 0.00 O ATOM 0 H GLY B 76 -2.689 13.456 4.915 1.00 0.00 H new ATOM 0 HA2 GLY B 76 -2.596 15.336 3.689 1.00 0.00 H new ATOM 0 HA3 GLY B 76 -2.537 16.191 5.218 1.00 0.00 H new ATOM 1177 N GLY B 77 -0.341 17.153 4.575 1.00 0.00 N ATOM 1178 CA GLY B 77 0.985 17.684 4.321 1.00 0.00 C ATOM 1179 C GLY B 77 2.030 17.098 5.252 1.00 0.00 C ATOM 1180 O GLY B 77 2.047 15.890 5.494 1.00 0.00 O ATOM 0 H GLY B 77 -1.006 17.825 4.958 1.00 0.00 H new ATOM 0 HA2 GLY B 77 1.265 17.476 3.288 1.00 0.00 H new ATOM 0 HA3 GLY B 77 0.967 18.768 4.435 1.00 0.00 H new ATOM 1184 N GLU B 78 2.900 17.953 5.777 1.00 0.00 N ATOM 1185 CA GLU B 78 3.949 17.511 6.689 1.00 0.00 C ATOM 1186 C GLU B 78 3.361 17.056 8.024 1.00 0.00 C ATOM 1187 O GLU B 78 2.213 16.615 8.087 1.00 0.00 O ATOM 1188 CB GLU B 78 4.966 18.638 6.904 1.00 0.00 C ATOM 1189 CG GLU B 78 4.338 19.986 7.230 1.00 0.00 C ATOM 1190 CD GLU B 78 3.610 19.998 8.561 1.00 0.00 C ATOM 1191 OE1 GLU B 78 4.269 19.788 9.600 1.00 0.00 O ATOM 1192 OE2 GLU B 78 2.381 20.219 8.563 1.00 0.00 O ATOM 0 H GLU B 78 2.900 18.955 5.587 1.00 0.00 H new ATOM 0 HA GLU B 78 4.457 16.657 6.241 1.00 0.00 H new ATOM 0 HB2 GLU B 78 5.638 18.357 7.714 1.00 0.00 H new ATOM 0 HB3 GLU B 78 5.575 18.740 6.006 1.00 0.00 H new ATOM 0 HG2 GLU B 78 5.116 20.749 7.242 1.00 0.00 H new ATOM 0 HG3 GLU B 78 3.639 20.255 6.438 1.00 0.00 H new ATOM 1199 N ASP B 79 4.151 17.172 9.088 1.00 0.00 N ATOM 1200 CA ASP B 79 3.709 16.778 10.422 1.00 0.00 C ATOM 1201 C ASP B 79 4.787 17.091 11.454 1.00 0.00 C ATOM 1202 O ASP B 79 4.534 17.782 12.441 1.00 0.00 O ATOM 1203 CB ASP B 79 3.374 15.284 10.454 1.00 0.00 C ATOM 1204 CG ASP B 79 2.822 14.838 11.795 1.00 0.00 C ATOM 1205 OD1 ASP B 79 3.543 14.963 12.807 1.00 0.00 O ATOM 1206 OD2 ASP B 79 1.668 14.364 11.832 1.00 0.00 O ATOM 0 H ASP B 79 5.103 17.537 9.052 1.00 0.00 H new ATOM 0 HA ASP B 79 2.811 17.346 10.667 1.00 0.00 H new ATOM 0 HB2 ASP B 79 2.646 15.062 9.674 1.00 0.00 H new ATOM 0 HB3 ASP B 79 4.272 14.709 10.225 1.00 0.00 H new ATOM 1211 N LEU B 80 5.993 16.582 11.214 1.00 0.00 N ATOM 1212 CA LEU B 80 7.114 16.813 12.116 1.00 0.00 C ATOM 1213 C LEU B 80 7.635 18.238 11.970 1.00 0.00 C ATOM 1214 O LEU B 80 7.883 18.705 10.858 1.00 0.00 O ATOM 1215 CB LEU B 80 8.239 15.816 11.829 1.00 0.00 C ATOM 1216 CG LEU B 80 7.859 14.342 11.986 1.00 0.00 C ATOM 1217 CD1 LEU B 80 9.012 13.446 11.558 1.00 0.00 C ATOM 1218 CD2 LEU B 80 7.451 14.043 13.422 1.00 0.00 C ATOM 0 H LEU B 80 6.217 16.007 10.402 1.00 0.00 H new ATOM 0 HA LEU B 80 6.765 16.671 13.139 1.00 0.00 H new ATOM 0 HB2 LEU B 80 8.594 15.977 10.811 1.00 0.00 H new ATOM 0 HB3 LEU B 80 9.074 16.033 12.496 1.00 0.00 H new ATOM 0 HG LEU B 80 7.006 14.136 11.339 1.00 0.00 H new ATOM 0 HD11 LEU B 80 8.724 12.401 11.676 1.00 0.00 H new ATOM 0 HD12 LEU B 80 9.255 13.639 10.513 1.00 0.00 H new ATOM 0 HD13 LEU B 80 9.884 13.654 12.178 1.00 0.00 H new ATOM 0 HD21 LEU B 80 7.185 12.990 13.513 1.00 0.00 H new ATOM 0 HD22 LEU B 80 8.283 14.266 14.090 1.00 0.00 H new ATOM 0 HD23 LEU B 80 6.593 14.659 13.692 1.00 0.00 H new ATOM 1230 N LEU B 81 7.800 18.927 13.095 1.00 0.00 N ATOM 1231 CA LEU B 81 8.293 20.298 13.077 1.00 0.00 C ATOM 1232 C LEU B 81 9.784 20.338 12.761 1.00 0.00 C ATOM 1233 O LEU B 81 10.217 21.061 11.864 1.00 0.00 O ATOM 1234 CB LEU B 81 8.015 20.991 14.414 1.00 0.00 C ATOM 1235 CG LEU B 81 6.533 21.196 14.740 1.00 0.00 C ATOM 1236 CD1 LEU B 81 5.878 19.880 15.134 1.00 0.00 C ATOM 1237 CD2 LEU B 81 6.364 22.235 15.834 1.00 0.00 C ATOM 0 H LEU B 81 7.600 18.560 14.026 1.00 0.00 H new ATOM 0 HA LEU B 81 7.762 20.834 12.290 1.00 0.00 H new ATOM 0 HB2 LEU B 81 8.469 20.404 15.212 1.00 0.00 H new ATOM 0 HB3 LEU B 81 8.509 21.963 14.412 1.00 0.00 H new ATOM 0 HG LEU B 81 6.034 21.564 13.843 1.00 0.00 H new ATOM 0 HD11 LEU B 81 4.826 20.051 15.361 1.00 0.00 H new ATOM 0 HD12 LEU B 81 5.961 19.171 14.310 1.00 0.00 H new ATOM 0 HD13 LEU B 81 6.378 19.474 16.014 1.00 0.00 H new ATOM 0 HD21 LEU B 81 5.304 22.366 16.051 1.00 0.00 H new ATOM 0 HD22 LEU B 81 6.880 21.902 16.735 1.00 0.00 H new ATOM 0 HD23 LEU B 81 6.787 23.184 15.503 1.00 0.00 H new ATOM 1249 N MET B 82 10.564 19.551 13.496 1.00 0.00 N ATOM 1250 CA MET B 82 12.005 19.494 13.283 1.00 0.00 C ATOM 1251 C MET B 82 12.328 18.769 11.981 1.00 0.00 C ATOM 1252 O MET B 82 13.219 19.179 11.236 1.00 0.00 O ATOM 1253 CB MET B 82 12.695 18.794 14.456 1.00 0.00 C ATOM 1254 CG MET B 82 12.501 19.503 15.787 1.00 0.00 C ATOM 1255 SD MET B 82 13.366 18.687 17.142 1.00 0.00 S ATOM 1256 CE MET B 82 12.595 17.070 17.115 1.00 0.00 C ATOM 0 H MET B 82 10.223 18.946 14.243 1.00 0.00 H new ATOM 0 HA MET B 82 12.378 20.516 13.216 1.00 0.00 H new ATOM 0 HB2 MET B 82 12.313 17.776 14.537 1.00 0.00 H new ATOM 0 HB3 MET B 82 13.762 18.718 14.246 1.00 0.00 H new ATOM 0 HG2 MET B 82 12.855 20.530 15.702 1.00 0.00 H new ATOM 0 HG3 MET B 82 11.437 19.551 16.017 1.00 0.00 H new ATOM 0 HE1 MET B 82 12.761 16.572 18.070 1.00 0.00 H new ATOM 0 HE2 MET B 82 11.524 17.180 16.944 1.00 0.00 H new ATOM 0 HE3 MET B 82 13.030 16.473 16.314 1.00 0.00 H new ATOM 1266 N SER B 83 11.592 17.690 11.718 1.00 0.00 N ATOM 1267 CA SER B 83 11.786 16.891 10.508 1.00 0.00 C ATOM 1268 C SER B 83 13.153 16.214 10.510 1.00 0.00 C ATOM 1269 O SER B 83 14.166 16.830 10.843 1.00 0.00 O ATOM 1270 CB SER B 83 11.634 17.762 9.259 1.00 0.00 C ATOM 1271 OG SER B 83 10.343 18.344 9.197 1.00 0.00 O ATOM 0 H SER B 83 10.852 17.347 12.330 1.00 0.00 H new ATOM 0 HA SER B 83 11.020 16.116 10.494 1.00 0.00 H new ATOM 0 HB2 SER B 83 12.390 18.547 9.265 1.00 0.00 H new ATOM 0 HB3 SER B 83 11.808 17.159 8.368 1.00 0.00 H new ATOM 0 HG SER B 83 9.839 18.108 10.003 1.00 0.00 H new ATOM 1277 N GLY B 84 13.172 14.936 10.139 1.00 0.00 N ATOM 1278 CA GLY B 84 14.416 14.190 10.107 1.00 0.00 C ATOM 1279 C GLY B 84 15.358 14.665 9.018 1.00 0.00 C ATOM 1280 O GLY B 84 15.484 15.865 8.776 1.00 0.00 O ATOM 0 H GLY B 84 12.347 14.405 9.860 1.00 0.00 H new ATOM 0 HA2 GLY B 84 14.912 14.278 11.074 1.00 0.00 H new ATOM 0 HA3 GLY B 84 14.197 13.133 9.956 1.00 0.00 H new ATOM 1284 N ASP B 85 16.023 13.716 8.362 1.00 0.00 N ATOM 1285 CA ASP B 85 16.965 14.031 7.292 1.00 0.00 C ATOM 1286 C ASP B 85 17.537 12.749 6.693 1.00 0.00 C ATOM 1287 O ASP B 85 18.754 12.561 6.646 1.00 0.00 O ATOM 1288 CB ASP B 85 18.098 14.916 7.822 1.00 0.00 C ATOM 1289 CG ASP B 85 19.035 15.387 6.726 1.00 0.00 C ATOM 1290 OD1 ASP B 85 18.790 15.053 5.547 1.00 0.00 O ATOM 1291 OD2 ASP B 85 20.013 16.096 7.046 1.00 0.00 O ATOM 0 H ASP B 85 15.926 12.719 8.554 1.00 0.00 H new ATOM 0 HA ASP B 85 16.432 14.574 6.512 1.00 0.00 H new ATOM 0 HB2 ASP B 85 17.671 15.783 8.326 1.00 0.00 H new ATOM 0 HB3 ASP B 85 18.668 14.362 8.568 1.00 0.00 H new ATOM 1296 N ASN B 86 16.650 11.863 6.247 1.00 0.00 N ATOM 1297 CA ASN B 86 17.062 10.592 5.660 1.00 0.00 C ATOM 1298 C ASN B 86 17.854 10.806 4.371 1.00 0.00 C ATOM 1299 O ASN B 86 18.480 11.849 4.179 1.00 0.00 O ATOM 1300 CB ASN B 86 15.835 9.722 5.380 1.00 0.00 C ATOM 1301 CG ASN B 86 15.015 9.456 6.628 1.00 0.00 C ATOM 1302 OD1 ASN B 86 15.510 8.885 7.599 1.00 0.00 O ATOM 1303 ND2 ASN B 86 13.755 9.872 6.607 1.00 0.00 N ATOM 0 H ASN B 86 15.640 12.003 6.281 1.00 0.00 H new ATOM 0 HA ASN B 86 17.710 10.085 6.375 1.00 0.00 H new ATOM 0 HB2 ASN B 86 15.208 10.212 4.635 1.00 0.00 H new ATOM 0 HB3 ASN B 86 16.157 8.773 4.951 1.00 0.00 H new ATOM 0 HD21 ASN B 86 13.155 9.722 7.418 1.00 0.00 H new ATOM 0 HD22 ASN B 86 13.387 10.341 5.780 1.00 0.00 H new ATOM 1310 N GLY B 87 17.821 9.812 3.487 1.00 0.00 N ATOM 1311 CA GLY B 87 18.536 9.914 2.228 1.00 0.00 C ATOM 1312 C GLY B 87 18.610 8.589 1.493 1.00 0.00 C ATOM 1313 O GLY B 87 18.338 8.521 0.294 1.00 0.00 O ATOM 0 H GLY B 87 17.312 8.938 3.621 1.00 0.00 H new ATOM 0 HA2 GLY B 87 18.044 10.651 1.593 1.00 0.00 H new ATOM 0 HA3 GLY B 87 19.546 10.279 2.416 1.00 0.00 H new ATOM 1317 N MET B 88 18.979 7.534 2.214 1.00 0.00 N ATOM 1318 CA MET B 88 19.089 6.203 1.627 1.00 0.00 C ATOM 1319 C MET B 88 17.735 5.706 1.136 1.00 0.00 C ATOM 1320 O MET B 88 16.699 6.006 1.732 1.00 0.00 O ATOM 1321 CB MET B 88 19.667 5.213 2.638 1.00 0.00 C ATOM 1322 CG MET B 88 21.043 5.601 3.156 1.00 0.00 C ATOM 1323 SD MET B 88 21.769 4.335 4.217 1.00 0.00 S ATOM 1324 CE MET B 88 20.521 4.199 5.494 1.00 0.00 C ATOM 0 H MET B 88 19.207 7.576 3.207 1.00 0.00 H new ATOM 0 HA MET B 88 19.763 6.274 0.774 1.00 0.00 H new ATOM 0 HB2 MET B 88 18.982 5.127 3.481 1.00 0.00 H new ATOM 0 HB3 MET B 88 19.727 4.228 2.175 1.00 0.00 H new ATOM 0 HG2 MET B 88 21.706 5.785 2.311 1.00 0.00 H new ATOM 0 HG3 MET B 88 20.967 6.536 3.712 1.00 0.00 H new ATOM 0 HE1 MET B 88 20.861 3.505 6.262 1.00 0.00 H new ATOM 0 HE2 MET B 88 20.349 5.178 5.940 1.00 0.00 H new ATOM 0 HE3 MET B 88 19.592 3.831 5.058 1.00 0.00 H new ATOM 1334 N THR B 89 17.751 4.945 0.048 1.00 0.00 N ATOM 1335 CA THR B 89 16.527 4.401 -0.527 1.00 0.00 C ATOM 1336 C THR B 89 15.736 3.610 0.510 1.00 0.00 C ATOM 1337 O THR B 89 14.517 3.747 0.603 1.00 0.00 O ATOM 1338 CB THR B 89 16.832 3.489 -1.733 1.00 0.00 C ATOM 1339 OG1 THR B 89 17.466 4.246 -2.771 1.00 0.00 O ATOM 1340 CG2 THR B 89 15.561 2.846 -2.272 1.00 0.00 C ATOM 0 H THR B 89 18.601 4.690 -0.455 1.00 0.00 H new ATOM 0 HA THR B 89 15.930 5.249 -0.863 1.00 0.00 H new ATOM 0 HB THR B 89 17.501 2.697 -1.396 1.00 0.00 H new ATOM 0 HG1 THR B 89 17.658 3.660 -3.533 1.00 0.00 H new ATOM 0 HG21 THR B 89 15.808 2.209 -3.121 1.00 0.00 H new ATOM 0 HG22 THR B 89 15.098 2.245 -1.490 1.00 0.00 H new ATOM 0 HG23 THR B 89 14.867 3.624 -2.591 1.00 0.00 H new ATOM 1348 N GLU B 90 16.428 2.781 1.286 1.00 0.00 N ATOM 1349 CA GLU B 90 15.769 1.970 2.305 1.00 0.00 C ATOM 1350 C GLU B 90 15.007 2.839 3.298 1.00 0.00 C ATOM 1351 O GLU B 90 13.825 2.613 3.536 1.00 0.00 O ATOM 1352 CB GLU B 90 16.782 1.114 3.067 1.00 0.00 C ATOM 1353 CG GLU B 90 17.615 0.207 2.180 1.00 0.00 C ATOM 1354 CD GLU B 90 18.634 -0.598 2.961 1.00 0.00 C ATOM 1355 OE1 GLU B 90 18.698 -0.438 4.199 1.00 0.00 O ATOM 1356 OE2 GLU B 90 19.372 -1.389 2.336 1.00 0.00 O ATOM 0 H GLU B 90 17.438 2.653 1.230 1.00 0.00 H new ATOM 0 HA GLU B 90 15.064 1.320 1.786 1.00 0.00 H new ATOM 0 HB2 GLU B 90 17.449 1.770 3.626 1.00 0.00 H new ATOM 0 HB3 GLU B 90 16.250 0.503 3.796 1.00 0.00 H new ATOM 0 HG2 GLU B 90 16.955 -0.474 1.642 1.00 0.00 H new ATOM 0 HG3 GLU B 90 18.130 0.810 1.432 1.00 0.00 H new ATOM 1363 N GLU B 91 15.691 3.823 3.881 1.00 0.00 N ATOM 1364 CA GLU B 91 15.074 4.714 4.863 1.00 0.00 C ATOM 1365 C GLU B 91 13.682 5.149 4.423 1.00 0.00 C ATOM 1366 O GLU B 91 12.718 5.043 5.184 1.00 0.00 O ATOM 1367 CB GLU B 91 15.952 5.946 5.090 1.00 0.00 C ATOM 1368 CG GLU B 91 17.327 5.619 5.646 1.00 0.00 C ATOM 1369 CD GLU B 91 18.163 6.858 5.902 1.00 0.00 C ATOM 1370 OE1 GLU B 91 17.730 7.709 6.705 1.00 0.00 O ATOM 1371 OE2 GLU B 91 19.249 6.975 5.300 1.00 0.00 O ATOM 0 H GLU B 91 16.673 4.023 3.690 1.00 0.00 H new ATOM 0 HA GLU B 91 14.980 4.160 5.797 1.00 0.00 H new ATOM 0 HB2 GLU B 91 16.068 6.478 4.146 1.00 0.00 H new ATOM 0 HB3 GLU B 91 15.443 6.623 5.776 1.00 0.00 H new ATOM 0 HG2 GLU B 91 17.215 5.062 6.576 1.00 0.00 H new ATOM 0 HG3 GLU B 91 17.852 4.969 4.946 1.00 0.00 H new ATOM 1378 N LYS B 92 13.578 5.629 3.191 1.00 0.00 N ATOM 1379 CA LYS B 92 12.301 6.070 2.652 1.00 0.00 C ATOM 1380 C LYS B 92 11.382 4.871 2.427 1.00 0.00 C ATOM 1381 O LYS B 92 10.197 4.910 2.750 1.00 0.00 O ATOM 1382 CB LYS B 92 12.521 6.835 1.347 1.00 0.00 C ATOM 1383 CG LYS B 92 11.274 7.518 0.812 1.00 0.00 C ATOM 1384 CD LYS B 92 11.604 8.449 -0.345 1.00 0.00 C ATOM 1385 CE LYS B 92 12.520 9.582 0.089 1.00 0.00 C ATOM 1386 NZ LYS B 92 12.848 10.495 -1.040 1.00 0.00 N ATOM 0 H LYS B 92 14.363 5.722 2.547 1.00 0.00 H new ATOM 0 HA LYS B 92 11.823 6.738 3.369 1.00 0.00 H new ATOM 0 HB2 LYS B 92 13.295 7.586 1.505 1.00 0.00 H new ATOM 0 HB3 LYS B 92 12.896 6.144 0.592 1.00 0.00 H new ATOM 0 HG2 LYS B 92 10.558 6.765 0.482 1.00 0.00 H new ATOM 0 HG3 LYS B 92 10.796 8.084 1.611 1.00 0.00 H new ATOM 0 HD2 LYS B 92 12.081 7.881 -1.144 1.00 0.00 H new ATOM 0 HD3 LYS B 92 10.682 8.863 -0.754 1.00 0.00 H new ATOM 0 HE2 LYS B 92 12.042 10.149 0.888 1.00 0.00 H new ATOM 0 HE3 LYS B 92 13.441 9.167 0.500 1.00 0.00 H new ATOM 0 HZ1 LYS B 92 13.857 10.746 -1.002 1.00 0.00 H new ATOM 0 HZ2 LYS B 92 12.643 10.019 -1.942 1.00 0.00 H new ATOM 0 HZ3 LYS B 92 12.274 11.359 -0.966 1.00 0.00 H new ATOM 1400 N LEU B 93 11.951 3.802 1.882 1.00 0.00 N ATOM 1401 CA LEU B 93 11.203 2.577 1.619 1.00 0.00 C ATOM 1402 C LEU B 93 10.785 1.883 2.915 1.00 0.00 C ATOM 1403 O LEU B 93 9.922 1.010 2.904 1.00 0.00 O ATOM 1404 CB LEU B 93 12.024 1.626 0.743 1.00 0.00 C ATOM 1405 CG LEU B 93 11.930 1.879 -0.769 1.00 0.00 C ATOM 1406 CD1 LEU B 93 12.239 3.326 -1.102 1.00 0.00 C ATOM 1407 CD2 LEU B 93 12.867 0.954 -1.529 1.00 0.00 C ATOM 0 H LEU B 93 12.934 3.759 1.612 1.00 0.00 H new ATOM 0 HA LEU B 93 10.294 2.853 1.084 1.00 0.00 H new ATOM 0 HB2 LEU B 93 13.070 1.695 1.042 1.00 0.00 H new ATOM 0 HB3 LEU B 93 11.702 0.604 0.944 1.00 0.00 H new ATOM 0 HG LEU B 93 10.906 1.669 -1.077 1.00 0.00 H new ATOM 0 HD11 LEU B 93 12.165 3.475 -2.179 1.00 0.00 H new ATOM 0 HD12 LEU B 93 11.526 3.976 -0.595 1.00 0.00 H new ATOM 0 HD13 LEU B 93 13.249 3.568 -0.771 1.00 0.00 H new ATOM 0 HD21 LEU B 93 12.784 1.150 -2.598 1.00 0.00 H new ATOM 0 HD22 LEU B 93 13.893 1.130 -1.206 1.00 0.00 H new ATOM 0 HD23 LEU B 93 12.597 -0.083 -1.329 1.00 0.00 H new ATOM 1419 N ARG B 94 11.400 2.269 4.027 1.00 0.00 N ATOM 1420 CA ARG B 94 11.080 1.670 5.321 1.00 0.00 C ATOM 1421 C ARG B 94 9.734 2.160 5.844 1.00 0.00 C ATOM 1422 O ARG B 94 8.882 1.361 6.228 1.00 0.00 O ATOM 1423 CB ARG B 94 12.171 1.987 6.346 1.00 0.00 C ATOM 1424 CG ARG B 94 13.488 1.276 6.085 1.00 0.00 C ATOM 1425 CD ARG B 94 14.539 1.657 7.116 1.00 0.00 C ATOM 1426 NE ARG B 94 14.124 1.319 8.475 1.00 0.00 N ATOM 1427 CZ ARG B 94 13.896 0.075 8.891 1.00 0.00 C ATOM 1428 NH1 ARG B 94 14.057 -0.947 8.063 1.00 0.00 N ATOM 1429 NH2 ARG B 94 13.509 -0.146 10.140 1.00 0.00 N ATOM 0 H ARG B 94 12.120 2.991 4.061 1.00 0.00 H new ATOM 0 HA ARG B 94 11.023 0.591 5.175 1.00 0.00 H new ATOM 0 HB2 ARG B 94 12.346 3.063 6.354 1.00 0.00 H new ATOM 0 HB3 ARG B 94 11.813 1.714 7.339 1.00 0.00 H new ATOM 0 HG2 ARG B 94 13.331 0.198 6.105 1.00 0.00 H new ATOM 0 HG3 ARG B 94 13.847 1.527 5.087 1.00 0.00 H new ATOM 0 HD2 ARG B 94 15.474 1.146 6.885 1.00 0.00 H new ATOM 0 HD3 ARG B 94 14.736 2.727 7.053 1.00 0.00 H new ATOM 0 HE ARG B 94 14.002 2.080 9.144 1.00 0.00 H new ATOM 0 HH11 ARG B 94 14.357 -0.782 7.102 1.00 0.00 H new ATOM 0 HH12 ARG B 94 13.881 -1.898 8.387 1.00 0.00 H new ATOM 0 HH21 ARG B 94 13.386 0.637 10.782 1.00 0.00 H new ATOM 0 HH22 ARG B 94 13.334 -1.099 10.459 1.00 0.00 H new ATOM 1443 N ARG B 95 9.559 3.476 5.875 1.00 0.00 N ATOM 1444 CA ARG B 95 8.325 4.071 6.374 1.00 0.00 C ATOM 1445 C ARG B 95 7.173 3.932 5.382 1.00 0.00 C ATOM 1446 O ARG B 95 6.090 3.481 5.747 1.00 0.00 O ATOM 1447 CB ARG B 95 8.551 5.546 6.715 1.00 0.00 C ATOM 1448 CG ARG B 95 9.174 6.347 5.583 1.00 0.00 C ATOM 1449 CD ARG B 95 9.390 7.798 5.981 1.00 0.00 C ATOM 1450 NE ARG B 95 10.068 8.557 4.934 1.00 0.00 N ATOM 1451 CZ ARG B 95 10.366 9.848 5.035 1.00 0.00 C ATOM 1452 NH1 ARG B 95 10.042 10.525 6.128 1.00 0.00 N ATOM 1453 NH2 ARG B 95 10.991 10.465 4.040 1.00 0.00 N ATOM 0 H ARG B 95 10.256 4.151 5.561 1.00 0.00 H new ATOM 0 HA ARG B 95 8.044 3.527 7.276 1.00 0.00 H new ATOM 0 HB2 ARG B 95 7.596 5.998 6.985 1.00 0.00 H new ATOM 0 HB3 ARG B 95 9.195 5.612 7.592 1.00 0.00 H new ATOM 0 HG2 ARG B 95 10.127 5.900 5.301 1.00 0.00 H new ATOM 0 HG3 ARG B 95 8.529 6.301 4.706 1.00 0.00 H new ATOM 0 HD2 ARG B 95 8.428 8.261 6.199 1.00 0.00 H new ATOM 0 HD3 ARG B 95 9.979 7.839 6.897 1.00 0.00 H new ATOM 0 HE ARG B 95 10.327 8.069 4.077 1.00 0.00 H new ATOM 0 HH11 ARG B 95 9.562 10.055 6.896 1.00 0.00 H new ATOM 0 HH12 ARG B 95 10.273 11.516 6.201 1.00 0.00 H new ATOM 0 HH21 ARG B 95 11.243 9.948 3.197 1.00 0.00 H new ATOM 0 HH22 ARG B 95 11.220 11.456 4.118 1.00 0.00 H new ATOM 1467 N TYR B 96 7.397 4.336 4.136 1.00 0.00 N ATOM 1468 CA TYR B 96 6.350 4.266 3.121 1.00 0.00 C ATOM 1469 C TYR B 96 5.862 2.838 2.891 1.00 0.00 C ATOM 1470 O TYR B 96 4.659 2.605 2.813 1.00 0.00 O ATOM 1471 CB TYR B 96 6.819 4.884 1.803 1.00 0.00 C ATOM 1472 CG TYR B 96 6.973 6.388 1.866 1.00 0.00 C ATOM 1473 CD1 TYR B 96 8.102 6.971 2.423 1.00 0.00 C ATOM 1474 CD2 TYR B 96 5.977 7.226 1.378 1.00 0.00 C ATOM 1475 CE1 TYR B 96 8.237 8.344 2.491 1.00 0.00 C ATOM 1476 CE2 TYR B 96 6.105 8.599 1.442 1.00 0.00 C ATOM 1477 CZ TYR B 96 7.237 9.154 2.000 1.00 0.00 C ATOM 1478 OH TYR B 96 7.369 10.522 2.066 1.00 0.00 O ATOM 0 H TYR B 96 8.286 4.712 3.806 1.00 0.00 H new ATOM 0 HA TYR B 96 5.508 4.844 3.500 1.00 0.00 H new ATOM 0 HB2 TYR B 96 7.774 4.440 1.521 1.00 0.00 H new ATOM 0 HB3 TYR B 96 6.106 4.632 1.018 1.00 0.00 H new ATOM 0 HD1 TYR B 96 8.889 6.341 2.810 1.00 0.00 H new ATOM 0 HD2 TYR B 96 5.088 6.796 0.941 1.00 0.00 H new ATOM 0 HE1 TYR B 96 9.123 8.781 2.927 1.00 0.00 H new ATOM 0 HE2 TYR B 96 5.322 9.235 1.057 1.00 0.00 H new ATOM 0 HH TYR B 96 6.577 10.946 1.675 1.00 0.00 H new ATOM 1488 N LEU B 97 6.781 1.884 2.772 1.00 0.00 N ATOM 1489 CA LEU B 97 6.390 0.495 2.539 1.00 0.00 C ATOM 1490 C LEU B 97 5.720 -0.113 3.764 1.00 0.00 C ATOM 1491 O LEU B 97 4.666 -0.735 3.652 1.00 0.00 O ATOM 1492 CB LEU B 97 7.587 -0.352 2.118 1.00 0.00 C ATOM 1493 CG LEU B 97 7.293 -1.841 1.911 1.00 0.00 C ATOM 1494 CD1 LEU B 97 5.990 -2.046 1.151 1.00 0.00 C ATOM 1495 CD2 LEU B 97 8.446 -2.503 1.182 1.00 0.00 C ATOM 0 H LEU B 97 7.787 2.042 2.832 1.00 0.00 H new ATOM 0 HA LEU B 97 5.665 0.500 1.725 1.00 0.00 H new ATOM 0 HB2 LEU B 97 7.991 0.054 1.191 1.00 0.00 H new ATOM 0 HB3 LEU B 97 8.365 -0.254 2.875 1.00 0.00 H new ATOM 0 HG LEU B 97 7.181 -2.306 2.891 1.00 0.00 H new ATOM 0 HD11 LEU B 97 5.809 -3.113 1.020 1.00 0.00 H new ATOM 0 HD12 LEU B 97 5.167 -1.605 1.714 1.00 0.00 H new ATOM 0 HD13 LEU B 97 6.059 -1.567 0.174 1.00 0.00 H new ATOM 0 HD21 LEU B 97 8.227 -3.561 1.040 1.00 0.00 H new ATOM 0 HD22 LEU B 97 8.584 -2.027 0.211 1.00 0.00 H new ATOM 0 HD23 LEU B 97 9.357 -2.397 1.770 1.00 0.00 H new ATOM 1507 N LYS B 98 6.323 0.069 4.931 1.00 0.00 N ATOM 1508 CA LYS B 98 5.750 -0.467 6.158 1.00 0.00 C ATOM 1509 C LYS B 98 4.335 0.062 6.339 1.00 0.00 C ATOM 1510 O LYS B 98 3.431 -0.665 6.753 1.00 0.00 O ATOM 1511 CB LYS B 98 6.609 -0.093 7.366 1.00 0.00 C ATOM 1512 CG LYS B 98 6.073 -0.630 8.683 1.00 0.00 C ATOM 1513 CD LYS B 98 6.952 -0.220 9.854 1.00 0.00 C ATOM 1514 CE LYS B 98 7.005 1.291 10.013 1.00 0.00 C ATOM 1515 NZ LYS B 98 7.874 1.701 11.150 1.00 0.00 N ATOM 0 H LYS B 98 7.199 0.578 5.054 1.00 0.00 H new ATOM 0 HA LYS B 98 5.721 -1.554 6.083 1.00 0.00 H new ATOM 0 HB2 LYS B 98 7.620 -0.471 7.214 1.00 0.00 H new ATOM 0 HB3 LYS B 98 6.681 0.993 7.428 1.00 0.00 H new ATOM 0 HG2 LYS B 98 5.060 -0.261 8.841 1.00 0.00 H new ATOM 0 HG3 LYS B 98 6.013 -1.717 8.636 1.00 0.00 H new ATOM 0 HD2 LYS B 98 6.570 -0.670 10.771 1.00 0.00 H new ATOM 0 HD3 LYS B 98 7.960 -0.606 9.705 1.00 0.00 H new ATOM 0 HE2 LYS B 98 7.377 1.740 9.092 1.00 0.00 H new ATOM 0 HE3 LYS B 98 5.997 1.675 10.170 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 7.883 2.738 11.224 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 7.505 1.294 12.033 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 8.842 1.357 10.988 1.00 0.00 H new ATOM 1529 N ARG B 99 4.151 1.337 6.009 1.00 0.00 N ATOM 1530 CA ARG B 99 2.849 1.977 6.116 1.00 0.00 C ATOM 1531 C ARG B 99 1.894 1.457 5.052 1.00 0.00 C ATOM 1532 O ARG B 99 0.773 1.070 5.358 1.00 0.00 O ATOM 1533 CB ARG B 99 2.987 3.492 5.992 1.00 0.00 C ATOM 1534 CG ARG B 99 3.675 4.142 7.183 1.00 0.00 C ATOM 1535 CD ARG B 99 2.917 3.880 8.474 1.00 0.00 C ATOM 1536 NE ARG B 99 3.564 4.498 9.626 1.00 0.00 N ATOM 1537 CZ ARG B 99 3.104 4.400 10.870 1.00 0.00 C ATOM 1538 NH1 ARG B 99 2.002 3.704 11.119 1.00 0.00 N ATOM 1539 NH2 ARG B 99 3.747 4.994 11.865 1.00 0.00 N ATOM 0 H ARG B 99 4.892 1.947 5.664 1.00 0.00 H new ATOM 0 HA ARG B 99 2.438 1.735 7.096 1.00 0.00 H new ATOM 0 HB2 ARG B 99 3.549 3.724 5.088 1.00 0.00 H new ATOM 0 HB3 ARG B 99 1.996 3.930 5.872 1.00 0.00 H new ATOM 0 HG2 ARG B 99 4.691 3.758 7.272 1.00 0.00 H new ATOM 0 HG3 ARG B 99 3.754 5.216 7.017 1.00 0.00 H new ATOM 0 HD2 ARG B 99 1.901 4.263 8.381 1.00 0.00 H new ATOM 0 HD3 ARG B 99 2.839 2.805 8.636 1.00 0.00 H new ATOM 0 HE ARG B 99 4.417 5.035 9.469 1.00 0.00 H new ATOM 0 HH11 ARG B 99 1.506 3.243 10.356 1.00 0.00 H new ATOM 0 HH12 ARG B 99 1.650 3.630 12.074 1.00 0.00 H new ATOM 0 HH21 ARG B 99 4.596 5.527 11.677 1.00 0.00 H new ATOM 0 HH22 ARG B 99 3.393 4.918 12.819 1.00 0.00 H new ATOM 1553 N THR B 100 2.348 1.449 3.800 1.00 0.00 N ATOM 1554 CA THR B 100 1.525 0.972 2.694 1.00 0.00 C ATOM 1555 C THR B 100 1.031 -0.437 2.950 1.00 0.00 C ATOM 1556 O THR B 100 -0.138 -0.734 2.767 1.00 0.00 O ATOM 1557 CB THR B 100 2.290 0.967 1.365 1.00 0.00 C ATOM 1558 OG1 THR B 100 3.541 0.288 1.522 1.00 0.00 O ATOM 1559 CG2 THR B 100 2.530 2.369 0.858 1.00 0.00 C ATOM 0 H THR B 100 3.278 1.767 3.528 1.00 0.00 H new ATOM 0 HA THR B 100 0.685 1.663 2.625 1.00 0.00 H new ATOM 0 HB THR B 100 1.678 0.443 0.631 1.00 0.00 H new ATOM 0 HG1 THR B 100 3.657 -0.357 0.793 1.00 0.00 H new ATOM 0 HG21 THR B 100 3.074 2.327 -0.085 1.00 0.00 H new ATOM 0 HG22 THR B 100 1.574 2.868 0.703 1.00 0.00 H new ATOM 0 HG23 THR B 100 3.115 2.925 1.590 1.00 0.00 H new ATOM 1567 N VAL B 101 1.933 -1.303 3.370 1.00 0.00 N ATOM 1568 CA VAL B 101 1.583 -2.682 3.650 1.00 0.00 C ATOM 1569 C VAL B 101 0.414 -2.755 4.634 1.00 0.00 C ATOM 1570 O VAL B 101 -0.428 -3.649 4.544 1.00 0.00 O ATOM 1571 CB VAL B 101 2.810 -3.460 4.172 1.00 0.00 C ATOM 1572 CG1 VAL B 101 2.415 -4.552 5.145 1.00 0.00 C ATOM 1573 CG2 VAL B 101 3.599 -4.035 3.000 1.00 0.00 C ATOM 0 H VAL B 101 2.915 -1.075 3.525 1.00 0.00 H new ATOM 0 HA VAL B 101 1.262 -3.153 2.721 1.00 0.00 H new ATOM 0 HB VAL B 101 3.443 -2.761 4.718 1.00 0.00 H new ATOM 0 HG11 VAL B 101 3.308 -5.074 5.488 1.00 0.00 H new ATOM 0 HG12 VAL B 101 1.903 -4.110 6.000 1.00 0.00 H new ATOM 0 HG13 VAL B 101 1.749 -5.258 4.649 1.00 0.00 H new ATOM 0 HG21 VAL B 101 4.463 -4.582 3.377 1.00 0.00 H new ATOM 0 HG22 VAL B 101 2.962 -4.711 2.429 1.00 0.00 H new ATOM 0 HG23 VAL B 101 3.937 -3.223 2.355 1.00 0.00 H new ATOM 1583 N THR B 102 0.353 -1.795 5.556 1.00 0.00 N ATOM 1584 CA THR B 102 -0.729 -1.742 6.535 1.00 0.00 C ATOM 1585 C THR B 102 -1.951 -1.020 5.960 1.00 0.00 C ATOM 1586 O THR B 102 -3.082 -1.468 6.135 1.00 0.00 O ATOM 1587 CB THR B 102 -0.289 -1.041 7.833 1.00 0.00 C ATOM 1588 OG1 THR B 102 0.835 -1.725 8.400 1.00 0.00 O ATOM 1589 CG2 THR B 102 -1.427 -1.009 8.842 1.00 0.00 C ATOM 0 H THR B 102 1.039 -1.045 5.645 1.00 0.00 H new ATOM 0 HA THR B 102 -0.994 -2.773 6.770 1.00 0.00 H new ATOM 0 HB THR B 102 -0.009 -0.016 7.590 1.00 0.00 H new ATOM 0 HG1 THR B 102 1.656 -1.434 7.951 1.00 0.00 H new ATOM 0 HG21 THR B 102 -1.093 -0.509 9.751 1.00 0.00 H new ATOM 0 HG22 THR B 102 -2.273 -0.467 8.419 1.00 0.00 H new ATOM 0 HG23 THR B 102 -1.732 -2.028 9.079 1.00 0.00 H new ATOM 1597 N GLU B 103 -1.709 0.093 5.267 1.00 0.00 N ATOM 1598 CA GLU B 103 -2.780 0.875 4.648 1.00 0.00 C ATOM 1599 C GLU B 103 -3.486 0.031 3.600 1.00 0.00 C ATOM 1600 O GLU B 103 -4.708 -0.102 3.595 1.00 0.00 O ATOM 1601 CB GLU B 103 -2.200 2.134 3.991 1.00 0.00 C ATOM 1602 CG GLU B 103 -1.496 3.065 4.966 1.00 0.00 C ATOM 1603 CD GLU B 103 -2.437 3.671 5.990 1.00 0.00 C ATOM 1604 OE1 GLU B 103 -3.072 2.904 6.743 1.00 0.00 O ATOM 1605 OE2 GLU B 103 -2.534 4.915 6.042 1.00 0.00 O ATOM 0 H GLU B 103 -0.775 0.475 5.120 1.00 0.00 H new ATOM 0 HA GLU B 103 -3.494 1.172 5.416 1.00 0.00 H new ATOM 0 HB2 GLU B 103 -1.496 1.836 3.214 1.00 0.00 H new ATOM 0 HB3 GLU B 103 -3.005 2.680 3.499 1.00 0.00 H new ATOM 0 HG2 GLU B 103 -0.711 2.514 5.483 1.00 0.00 H new ATOM 0 HG3 GLU B 103 -1.010 3.866 4.409 1.00 0.00 H new ATOM 1612 N LEU B 104 -2.680 -0.550 2.730 1.00 0.00 N ATOM 1613 CA LEU B 104 -3.150 -1.418 1.665 1.00 0.00 C ATOM 1614 C LEU B 104 -3.998 -2.539 2.253 1.00 0.00 C ATOM 1615 O LEU B 104 -5.036 -2.905 1.704 1.00 0.00 O ATOM 1616 CB LEU B 104 -1.925 -1.973 0.918 1.00 0.00 C ATOM 1617 CG LEU B 104 -2.183 -2.929 -0.246 1.00 0.00 C ATOM 1618 CD1 LEU B 104 -2.603 -4.302 0.247 1.00 0.00 C ATOM 1619 CD2 LEU B 104 -3.224 -2.359 -1.187 1.00 0.00 C ATOM 0 H LEU B 104 -1.667 -0.431 2.743 1.00 0.00 H new ATOM 0 HA LEU B 104 -3.774 -0.865 0.963 1.00 0.00 H new ATOM 0 HB2 LEU B 104 -1.351 -1.128 0.538 1.00 0.00 H new ATOM 0 HB3 LEU B 104 -1.294 -2.487 1.642 1.00 0.00 H new ATOM 0 HG LEU B 104 -1.247 -3.044 -0.793 1.00 0.00 H new ATOM 0 HD11 LEU B 104 -2.779 -4.957 -0.606 1.00 0.00 H new ATOM 0 HD12 LEU B 104 -1.814 -4.722 0.870 1.00 0.00 H new ATOM 0 HD13 LEU B 104 -3.519 -4.214 0.831 1.00 0.00 H new ATOM 0 HD21 LEU B 104 -3.392 -3.056 -2.008 1.00 0.00 H new ATOM 0 HD22 LEU B 104 -4.157 -2.204 -0.646 1.00 0.00 H new ATOM 0 HD23 LEU B 104 -2.872 -1.407 -1.585 1.00 0.00 H new ATOM 1631 N ASP B 105 -3.545 -3.066 3.386 1.00 0.00 N ATOM 1632 CA ASP B 105 -4.247 -4.137 4.082 1.00 0.00 C ATOM 1633 C ASP B 105 -5.473 -3.600 4.818 1.00 0.00 C ATOM 1634 O ASP B 105 -6.461 -4.311 5.001 1.00 0.00 O ATOM 1635 CB ASP B 105 -3.306 -4.825 5.073 1.00 0.00 C ATOM 1636 CG ASP B 105 -3.985 -5.942 5.840 1.00 0.00 C ATOM 1637 OD1 ASP B 105 -4.460 -6.901 5.196 1.00 0.00 O ATOM 1638 OD2 ASP B 105 -4.040 -5.858 7.085 1.00 0.00 O ATOM 0 H ASP B 105 -2.686 -2.764 3.845 1.00 0.00 H new ATOM 0 HA ASP B 105 -4.582 -4.862 3.340 1.00 0.00 H new ATOM 0 HB2 ASP B 105 -2.448 -5.228 4.534 1.00 0.00 H new ATOM 0 HB3 ASP B 105 -2.922 -4.087 5.777 1.00 0.00 H new ATOM 1643 N SER B 106 -5.393 -2.346 5.252 1.00 0.00 N ATOM 1644 CA SER B 106 -6.487 -1.713 5.983 1.00 0.00 C ATOM 1645 C SER B 106 -7.664 -1.393 5.067 1.00 0.00 C ATOM 1646 O SER B 106 -8.786 -1.834 5.309 1.00 0.00 O ATOM 1647 CB SER B 106 -5.996 -0.432 6.659 1.00 0.00 C ATOM 1648 OG SER B 106 -7.044 0.207 7.366 1.00 0.00 O ATOM 0 H SER B 106 -4.580 -1.746 5.110 1.00 0.00 H new ATOM 0 HA SER B 106 -6.830 -2.418 6.740 1.00 0.00 H new ATOM 0 HB2 SER B 106 -5.182 -0.668 7.345 1.00 0.00 H new ATOM 0 HB3 SER B 106 -5.593 0.247 5.908 1.00 0.00 H new ATOM 0 HG SER B 106 -6.703 1.022 7.790 1.00 0.00 H new ATOM 1654 N VAL B 107 -7.402 -0.615 4.022 1.00 0.00 N ATOM 1655 CA VAL B 107 -8.444 -0.229 3.080 1.00 0.00 C ATOM 1656 C VAL B 107 -9.059 -1.448 2.402 1.00 0.00 C ATOM 1657 O VAL B 107 -10.269 -1.499 2.190 1.00 0.00 O ATOM 1658 CB VAL B 107 -7.912 0.751 2.015 1.00 0.00 C ATOM 1659 CG1 VAL B 107 -6.781 0.130 1.215 1.00 0.00 C ATOM 1660 CG2 VAL B 107 -9.025 1.199 1.095 1.00 0.00 C ATOM 0 H VAL B 107 -6.478 -0.240 3.807 1.00 0.00 H new ATOM 0 HA VAL B 107 -9.219 0.277 3.656 1.00 0.00 H new ATOM 0 HB VAL B 107 -7.519 1.625 2.535 1.00 0.00 H new ATOM 0 HG11 VAL B 107 -6.426 0.844 0.472 1.00 0.00 H new ATOM 0 HG12 VAL B 107 -5.963 -0.133 1.885 1.00 0.00 H new ATOM 0 HG13 VAL B 107 -7.141 -0.768 0.713 1.00 0.00 H new ATOM 0 HG21 VAL B 107 -8.627 1.890 0.352 1.00 0.00 H new ATOM 0 HG22 VAL B 107 -9.453 0.332 0.592 1.00 0.00 H new ATOM 0 HG23 VAL B 107 -9.799 1.699 1.677 1.00 0.00 H new ATOM 1670 N THR B 108 -8.228 -2.435 2.074 1.00 0.00 N ATOM 1671 CA THR B 108 -8.720 -3.651 1.434 1.00 0.00 C ATOM 1672 C THR B 108 -9.632 -4.410 2.391 1.00 0.00 C ATOM 1673 O THR B 108 -10.647 -4.976 1.984 1.00 0.00 O ATOM 1674 CB THR B 108 -7.572 -4.575 0.978 1.00 0.00 C ATOM 1675 OG1 THR B 108 -8.094 -5.641 0.177 1.00 0.00 O ATOM 1676 CG2 THR B 108 -6.831 -5.161 2.169 1.00 0.00 C ATOM 0 H THR B 108 -7.222 -2.417 2.239 1.00 0.00 H new ATOM 0 HA THR B 108 -9.276 -3.347 0.547 1.00 0.00 H new ATOM 0 HB THR B 108 -6.873 -3.977 0.393 1.00 0.00 H new ATOM 0 HG1 THR B 108 -7.360 -6.223 -0.111 1.00 0.00 H new ATOM 0 HG21 THR B 108 -6.028 -5.808 1.816 1.00 0.00 H new ATOM 0 HG22 THR B 108 -6.410 -4.354 2.768 1.00 0.00 H new ATOM 0 HG23 THR B 108 -7.523 -5.742 2.778 1.00 0.00 H new ATOM 1684 N ALA B 109 -9.261 -4.408 3.669 1.00 0.00 N ATOM 1685 CA ALA B 109 -10.039 -5.083 4.698 1.00 0.00 C ATOM 1686 C ALA B 109 -11.406 -4.429 4.854 1.00 0.00 C ATOM 1687 O ALA B 109 -12.430 -5.109 4.906 1.00 0.00 O ATOM 1688 CB ALA B 109 -9.288 -5.064 6.021 1.00 0.00 C ATOM 0 H ALA B 109 -8.422 -3.943 4.015 1.00 0.00 H new ATOM 0 HA ALA B 109 -10.189 -6.119 4.394 1.00 0.00 H new ATOM 0 HB1 ALA B 109 -9.880 -5.572 6.783 1.00 0.00 H new ATOM 0 HB2 ALA B 109 -8.332 -5.575 5.904 1.00 0.00 H new ATOM 0 HB3 ALA B 109 -9.113 -4.032 6.325 1.00 0.00 H new ATOM 1694 N ARG B 110 -11.411 -3.101 4.919 1.00 0.00 N ATOM 1695 CA ARG B 110 -12.648 -2.346 5.061 1.00 0.00 C ATOM 1696 C ARG B 110 -13.492 -2.471 3.799 1.00 0.00 C ATOM 1697 O ARG B 110 -14.715 -2.569 3.866 1.00 0.00 O ATOM 1698 CB ARG B 110 -12.348 -0.872 5.343 1.00 0.00 C ATOM 1699 CG ARG B 110 -11.386 -0.651 6.501 1.00 0.00 C ATOM 1700 CD ARG B 110 -11.840 -1.374 7.755 1.00 0.00 C ATOM 1701 NE ARG B 110 -10.950 -1.129 8.884 1.00 0.00 N ATOM 1702 CZ ARG B 110 -11.148 -1.633 10.097 1.00 0.00 C ATOM 1703 NH1 ARG B 110 -12.198 -2.410 10.329 1.00 0.00 N ATOM 1704 NH2 ARG B 110 -10.299 -1.364 11.078 1.00 0.00 N ATOM 0 H ARG B 110 -10.570 -2.526 4.875 1.00 0.00 H new ATOM 0 HA ARG B 110 -13.206 -2.757 5.902 1.00 0.00 H new ATOM 0 HB2 ARG B 110 -11.931 -0.418 4.444 1.00 0.00 H new ATOM 0 HB3 ARG B 110 -13.284 -0.355 5.556 1.00 0.00 H new ATOM 0 HG2 ARG B 110 -10.392 -1.000 6.220 1.00 0.00 H new ATOM 0 HG3 ARG B 110 -11.303 0.416 6.706 1.00 0.00 H new ATOM 0 HD2 ARG B 110 -12.849 -1.052 8.013 1.00 0.00 H new ATOM 0 HD3 ARG B 110 -11.888 -2.445 7.558 1.00 0.00 H new ATOM 0 HE ARG B 110 -10.132 -0.539 8.734 1.00 0.00 H new ATOM 0 HH11 ARG B 110 -12.853 -2.620 9.576 1.00 0.00 H new ATOM 0 HH12 ARG B 110 -12.350 -2.797 11.260 1.00 0.00 H new ATOM 0 HH21 ARG B 110 -9.490 -0.768 10.903 1.00 0.00 H new ATOM 0 HH22 ARG B 110 -10.455 -1.753 12.008 1.00 0.00 H new ATOM 1718 N LEU B 111 -12.820 -2.468 2.653 1.00 0.00 N ATOM 1719 CA LEU B 111 -13.485 -2.583 1.360 1.00 0.00 C ATOM 1720 C LEU B 111 -14.389 -3.812 1.318 1.00 0.00 C ATOM 1721 O LEU B 111 -15.433 -3.806 0.667 1.00 0.00 O ATOM 1722 CB LEU B 111 -12.438 -2.646 0.242 1.00 0.00 C ATOM 1723 CG LEU B 111 -12.978 -2.928 -1.164 1.00 0.00 C ATOM 1724 CD1 LEU B 111 -14.152 -2.022 -1.487 1.00 0.00 C ATOM 1725 CD2 LEU B 111 -11.876 -2.765 -2.200 1.00 0.00 C ATOM 0 H LEU B 111 -11.805 -2.386 2.594 1.00 0.00 H new ATOM 0 HA LEU B 111 -14.111 -1.703 1.211 1.00 0.00 H new ATOM 0 HB2 LEU B 111 -11.900 -1.698 0.220 1.00 0.00 H new ATOM 0 HB3 LEU B 111 -11.712 -3.419 0.493 1.00 0.00 H new ATOM 0 HG LEU B 111 -13.330 -3.959 -1.192 1.00 0.00 H new ATOM 0 HD11 LEU B 111 -14.516 -2.242 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU B 111 -14.951 -2.191 -0.765 1.00 0.00 H new ATOM 0 HD13 LEU B 111 -13.833 -0.981 -1.438 1.00 0.00 H new ATOM 0 HD21 LEU B 111 -12.277 -2.969 -3.193 1.00 0.00 H new ATOM 0 HD22 LEU B 111 -11.493 -1.745 -2.166 1.00 0.00 H new ATOM 0 HD23 LEU B 111 -11.068 -3.464 -1.984 1.00 0.00 H new ATOM 1737 N ARG B 112 -13.978 -4.861 2.021 1.00 0.00 N ATOM 1738 CA ARG B 112 -14.744 -6.101 2.073 1.00 0.00 C ATOM 1739 C ARG B 112 -16.166 -5.840 2.569 1.00 0.00 C ATOM 1740 O ARG B 112 -17.139 -6.301 1.971 1.00 0.00 O ATOM 1741 CB ARG B 112 -14.048 -7.101 2.997 1.00 0.00 C ATOM 1742 CG ARG B 112 -12.579 -7.308 2.668 1.00 0.00 C ATOM 1743 CD ARG B 112 -11.894 -8.197 3.693 1.00 0.00 C ATOM 1744 NE ARG B 112 -12.447 -9.548 3.706 1.00 0.00 N ATOM 1745 CZ ARG B 112 -12.027 -10.506 4.527 1.00 0.00 C ATOM 1746 NH1 ARG B 112 -11.067 -10.257 5.408 1.00 0.00 N ATOM 1747 NH2 ARG B 112 -12.569 -11.714 4.469 1.00 0.00 N ATOM 0 H ARG B 112 -13.115 -4.877 2.565 1.00 0.00 H new ATOM 0 HA ARG B 112 -14.800 -6.515 1.066 1.00 0.00 H new ATOM 0 HB2 ARG B 112 -14.136 -6.755 4.027 1.00 0.00 H new ATOM 0 HB3 ARG B 112 -14.564 -8.059 2.937 1.00 0.00 H new ATOM 0 HG2 ARG B 112 -12.487 -7.756 1.678 1.00 0.00 H new ATOM 0 HG3 ARG B 112 -12.075 -6.342 2.629 1.00 0.00 H new ATOM 0 HD2 ARG B 112 -10.827 -8.245 3.475 1.00 0.00 H new ATOM 0 HD3 ARG B 112 -11.998 -7.754 4.683 1.00 0.00 H new ATOM 0 HE ARG B 112 -13.196 -9.769 3.050 1.00 0.00 H new ATOM 0 HH11 ARG B 112 -10.648 -9.328 5.457 1.00 0.00 H new ATOM 0 HH12 ARG B 112 -10.747 -10.994 6.036 1.00 0.00 H new ATOM 0 HH21 ARG B 112 -13.309 -11.909 3.794 1.00 0.00 H new ATOM 0 HH22 ARG B 112 -12.246 -12.448 5.099 1.00 0.00 H new ATOM 1761 N GLU B 113 -16.272 -5.100 3.669 1.00 0.00 N ATOM 1762 CA GLU B 113 -17.567 -4.771 4.259 1.00 0.00 C ATOM 1763 C GLU B 113 -18.209 -3.575 3.558 1.00 0.00 C ATOM 1764 O GLU B 113 -19.427 -3.518 3.395 1.00 0.00 O ATOM 1765 CB GLU B 113 -17.404 -4.479 5.752 1.00 0.00 C ATOM 1766 CG GLU B 113 -18.707 -4.140 6.456 1.00 0.00 C ATOM 1767 CD GLU B 113 -18.518 -3.879 7.937 1.00 0.00 C ATOM 1768 OE1 GLU B 113 -17.757 -2.950 8.285 1.00 0.00 O ATOM 1769 OE2 GLU B 113 -19.128 -4.604 8.751 1.00 0.00 O ATOM 0 H GLU B 113 -15.473 -4.715 4.172 1.00 0.00 H new ATOM 0 HA GLU B 113 -18.225 -5.630 4.129 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -16.956 -5.347 6.236 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -16.708 -3.650 5.877 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -19.150 -3.260 5.989 1.00 0.00 H new ATOM 0 HG3 GLU B 113 -19.412 -4.960 6.322 1.00 0.00 H new ATOM 1776 N VAL B 114 -17.375 -2.620 3.158 1.00 0.00 N ATOM 1777 CA VAL B 114 -17.840 -1.412 2.482 1.00 0.00 C ATOM 1778 C VAL B 114 -18.783 -1.731 1.325 1.00 0.00 C ATOM 1779 O VAL B 114 -19.818 -1.086 1.166 1.00 0.00 O ATOM 1780 CB VAL B 114 -16.645 -0.575 1.972 1.00 0.00 C ATOM 1781 CG1 VAL B 114 -17.051 0.356 0.849 1.00 0.00 C ATOM 1782 CG2 VAL B 114 -16.041 0.224 3.106 1.00 0.00 C ATOM 0 H VAL B 114 -16.365 -2.660 3.292 1.00 0.00 H new ATOM 0 HA VAL B 114 -18.397 -0.831 3.217 1.00 0.00 H new ATOM 0 HB VAL B 114 -15.902 -1.271 1.581 1.00 0.00 H new ATOM 0 HG11 VAL B 114 -16.183 0.927 0.518 1.00 0.00 H new ATOM 0 HG12 VAL B 114 -17.441 -0.228 0.015 1.00 0.00 H new ATOM 0 HG13 VAL B 114 -17.822 1.040 1.204 1.00 0.00 H new ATOM 0 HG21 VAL B 114 -15.200 0.809 2.732 1.00 0.00 H new ATOM 0 HG22 VAL B 114 -16.794 0.895 3.520 1.00 0.00 H new ATOM 0 HG23 VAL B 114 -15.693 -0.455 3.884 1.00 0.00 H new ATOM 1792 N GLU B 115 -18.427 -2.722 0.521 1.00 0.00 N ATOM 1793 CA GLU B 115 -19.257 -3.108 -0.613 1.00 0.00 C ATOM 1794 C GLU B 115 -20.563 -3.737 -0.141 1.00 0.00 C ATOM 1795 O GLU B 115 -21.610 -3.564 -0.766 1.00 0.00 O ATOM 1796 CB GLU B 115 -18.501 -4.081 -1.518 1.00 0.00 C ATOM 1797 CG GLU B 115 -18.134 -5.389 -0.833 1.00 0.00 C ATOM 1798 CD GLU B 115 -17.324 -6.309 -1.723 1.00 0.00 C ATOM 1799 OE1 GLU B 115 -16.199 -5.927 -2.105 1.00 0.00 O ATOM 1800 OE2 GLU B 115 -17.815 -7.413 -2.038 1.00 0.00 O ATOM 0 H GLU B 115 -17.575 -3.271 0.631 1.00 0.00 H new ATOM 0 HA GLU B 115 -19.495 -2.209 -1.181 1.00 0.00 H new ATOM 0 HB2 GLU B 115 -19.112 -4.298 -2.394 1.00 0.00 H new ATOM 0 HB3 GLU B 115 -17.591 -3.600 -1.875 1.00 0.00 H new ATOM 0 HG2 GLU B 115 -17.566 -5.173 0.072 1.00 0.00 H new ATOM 0 HG3 GLU B 115 -19.046 -5.900 -0.523 1.00 0.00 H new ATOM 1807 N HIS B 116 -20.489 -4.478 0.959 1.00 0.00 N ATOM 1808 CA HIS B 116 -21.658 -5.149 1.514 1.00 0.00 C ATOM 1809 C HIS B 116 -22.715 -4.150 1.986 1.00 0.00 C ATOM 1810 O HIS B 116 -23.867 -4.210 1.554 1.00 0.00 O ATOM 1811 CB HIS B 116 -21.239 -6.052 2.676 1.00 0.00 C ATOM 1812 CG HIS B 116 -22.358 -6.881 3.227 1.00 0.00 C ATOM 1813 ND1 HIS B 116 -23.058 -7.796 2.470 1.00 0.00 N ATOM 1814 CD2 HIS B 116 -22.893 -6.933 4.469 1.00 0.00 C ATOM 1815 CE1 HIS B 116 -23.977 -8.375 3.222 1.00 0.00 C ATOM 1816 NE2 HIS B 116 -23.897 -7.870 4.439 1.00 0.00 N ATOM 0 H HIS B 116 -19.628 -4.629 1.485 1.00 0.00 H new ATOM 0 HA HIS B 116 -22.101 -5.752 0.722 1.00 0.00 H new ATOM 0 HB2 HIS B 116 -20.440 -6.713 2.341 1.00 0.00 H new ATOM 0 HB3 HIS B 116 -20.828 -5.434 3.475 1.00 0.00 H new ATOM 0 HD2 HIS B 116 -22.588 -6.347 5.324 1.00 0.00 H new ATOM 0 HE1 HIS B 116 -24.675 -9.132 2.897 1.00 0.00 H new ATOM 0 HE2 HIS B 116 -24.486 -8.133 5.229 1.00 0.00 H new ATOM 1825 N ARG B 117 -22.324 -3.238 2.877 1.00 0.00 N ATOM 1826 CA ARG B 117 -23.254 -2.239 3.409 1.00 0.00 C ATOM 1827 C ARG B 117 -22.524 -0.967 3.835 1.00 0.00 C ATOM 1828 O ARG B 117 -22.718 -0.473 4.946 1.00 0.00 O ATOM 1829 CB ARG B 117 -24.021 -2.809 4.608 1.00 0.00 C ATOM 1830 CG ARG B 117 -24.859 -4.033 4.283 1.00 0.00 C ATOM 1831 CD ARG B 117 -25.579 -4.559 5.513 1.00 0.00 C ATOM 1832 NE ARG B 117 -26.498 -3.574 6.072 1.00 0.00 N ATOM 1833 CZ ARG B 117 -27.244 -3.789 7.152 1.00 0.00 C ATOM 1834 NH1 ARG B 117 -27.173 -4.950 7.789 1.00 0.00 N ATOM 1835 NH2 ARG B 117 -28.059 -2.843 7.597 1.00 0.00 N ATOM 0 H ARG B 117 -21.375 -3.170 3.244 1.00 0.00 H new ATOM 0 HA ARG B 117 -23.954 -1.987 2.612 1.00 0.00 H new ATOM 0 HB2 ARG B 117 -23.309 -3.067 5.392 1.00 0.00 H new ATOM 0 HB3 ARG B 117 -24.672 -2.033 5.012 1.00 0.00 H new ATOM 0 HG2 ARG B 117 -25.589 -3.782 3.513 1.00 0.00 H new ATOM 0 HG3 ARG B 117 -24.219 -4.814 3.873 1.00 0.00 H new ATOM 0 HD2 ARG B 117 -26.131 -5.462 5.251 1.00 0.00 H new ATOM 0 HD3 ARG B 117 -24.846 -4.841 6.269 1.00 0.00 H new ATOM 0 HE ARG B 117 -26.573 -2.669 5.608 1.00 0.00 H new ATOM 0 HH11 ARG B 117 -26.546 -5.680 7.451 1.00 0.00 H new ATOM 0 HH12 ARG B 117 -27.746 -5.113 8.617 1.00 0.00 H new ATOM 0 HH21 ARG B 117 -28.115 -1.948 7.111 1.00 0.00 H new ATOM 0 HH22 ARG B 117 -28.630 -3.010 8.425 1.00 0.00 H new ATOM 1849 N ALA B 118 -21.690 -0.438 2.946 1.00 0.00 N ATOM 1850 CA ALA B 118 -20.938 0.781 3.227 1.00 0.00 C ATOM 1851 C ALA B 118 -20.102 0.638 4.499 1.00 0.00 C ATOM 1852 O ALA B 118 -19.592 -0.442 4.797 1.00 0.00 O ATOM 1853 CB ALA B 118 -21.885 1.968 3.342 1.00 0.00 C ATOM 0 H ALA B 118 -21.517 -0.835 2.022 1.00 0.00 H new ATOM 0 HA ALA B 118 -20.253 0.954 2.397 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -21.312 2.871 3.552 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -22.428 2.092 2.405 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -22.593 1.791 4.152 1.00 0.00 H new ATOM 1859 N GLY B 119 -19.969 1.731 5.247 1.00 0.00 N ATOM 1860 CA GLY B 119 -19.196 1.703 6.474 1.00 0.00 C ATOM 1861 C GLY B 119 -19.124 3.061 7.145 1.00 0.00 C ATOM 1862 O GLY B 119 -20.135 3.752 7.270 1.00 0.00 O ATOM 0 H GLY B 119 -20.384 2.636 5.023 1.00 0.00 H new ATOM 0 HA2 GLY B 119 -19.639 0.984 7.163 1.00 0.00 H new ATOM 0 HA3 GLY B 119 -18.186 1.355 6.256 1.00 0.00 H new ATOM 1866 N GLU B 120 -17.926 3.443 7.576 1.00 0.00 N ATOM 1867 CA GLU B 120 -17.724 4.728 8.236 1.00 0.00 C ATOM 1868 C GLU B 120 -18.082 5.882 7.305 1.00 0.00 C ATOM 1869 O GLU B 120 -19.054 6.605 7.607 1.00 0.00 O ATOM 1870 CB GLU B 120 -16.271 4.862 8.702 1.00 0.00 C ATOM 1871 CG GLU B 120 -15.970 6.187 9.385 1.00 0.00 C ATOM 1872 CD GLU B 120 -14.530 6.291 9.852 1.00 0.00 C ATOM 1873 OE1 GLU B 120 -13.781 5.306 9.695 1.00 0.00 O ATOM 1874 OE2 GLU B 120 -14.153 7.359 10.377 1.00 0.00 O ATOM 1875 OXT GLU B 120 -17.387 6.052 6.281 1.00 0.00 O ATOM 0 H GLU B 120 -17.080 2.881 7.480 1.00 0.00 H new ATOM 0 HA GLU B 120 -18.382 4.770 9.104 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -16.042 4.048 9.390 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -15.611 4.748 7.842 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -16.184 7.003 8.695 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -16.635 6.310 10.240 1.00 0.00 H new TER 1882 GLU B 120