USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 967 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 109 MET CE :methyl 152:sc= -0.305 (180deg=-0.619) USER MOD Set 1.2: A 144 MET CE :methyl 175:sc= 0 (180deg=-0.0394) USER MOD Set 2.1: A 107 HIS : no HD1:sc=-0.00355 X(o=-0.023,f=-0.018) USER MOD Set 2.2: A 111 ASN : amide:sc= -0.0197 K(o=-0.023,f=-0.83) USER MOD Set 3.1: A 29 THR OG1 : rot -165:sc= 1.27 USER MOD Set 3.2: A 49 GLN : amide:sc= 1.42 K(o=3,f=-2.9!) USER MOD Set 3.3: A 53 ASN : amide:sc= 0.298 K(o=3,f=-2.9!) USER MOD Set 4.1: A 26 THR OG1 : rot 173:sc= 1.02 USER MOD Set 4.2: A 60 ASN : amide:sc= 0.548 K(o=2.6,f=-1.8!) USER MOD Set 4.3: A 62 THR OG1 : rot -29:sc= 1.03 USER MOD Set 5.1: A 5 THR OG1 : rot -43:sc= 0.114 USER MOD Set 5.2: A 8 GLN : amide:sc= 0.109 X(o=0.22,f=0.63) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -160:sc= -0.0679 (180deg=-0.393) USER MOD Single : A 28 THR OG1 : rot 180:sc=0.000346 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 72:sc= 0.658 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 81:sc= 0.211 USER MOD Single : A 41 GLN : amide:sc=-0.00715 X(o=-0.0071,f=-0.23) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 51 MET CE :methyl 171:sc=-0.00742 (180deg=-0.143) USER MOD Single : A 70 THR OG1 : rot 82:sc= 0.332 USER MOD Single : A 71 MET CE :methyl -171:sc= -0.0989 (180deg=-0.361) USER MOD Single : A 72 MET CE :methyl -131:sc= -0.226 (180deg=-0.668) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -59:sc= 0.156 USER MOD Single : A 110 THR OG1 : rot 107:sc= 1.21 USER MOD Single : A 115 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.132) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.0254 USER MOD Single : A 124 MET CE :methyl -153:sc= -0.17 (180deg=-1.23) USER MOD Single : A 135 GLN : amide:sc= -0.401 K(o=-0.4,f=-1.2) USER MOD Single : A 137 ASN : amide:sc= -0.454 K(o=-0.45,f=-2.9!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 145 MET CE :methyl -176:sc= -0.0539 (180deg=-0.0881) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -12.109 15.901 1.610 1.00 0.00 N ATOM 59 CA THR A 5 -12.756 17.020 0.999 1.00 0.00 C ATOM 60 C THR A 5 -13.977 16.548 0.288 1.00 0.00 C ATOM 61 O THR A 5 -14.115 15.407 -0.152 1.00 0.00 O ATOM 62 CB THR A 5 -11.883 17.837 0.094 1.00 0.00 C ATOM 63 OG1 THR A 5 -11.278 17.130 -0.979 1.00 0.00 O ATOM 64 CG2 THR A 5 -10.747 18.353 0.994 1.00 0.00 C ATOM 0 HA THR A 5 -13.021 17.704 1.805 1.00 0.00 H new ATOM 0 HB THR A 5 -12.509 18.598 -0.372 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.941 16.269 -0.654 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.063 18.962 0.403 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.166 18.956 1.799 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.206 17.507 1.418 1.00 0.00 H new ATOM 72 N GLU A 6 -14.924 17.468 0.034 1.00 0.00 N ATOM 73 CA GLU A 6 -16.222 17.331 -0.550 1.00 0.00 C ATOM 74 C GLU A 6 -16.176 16.774 -1.931 1.00 0.00 C ATOM 75 O GLU A 6 -17.037 15.970 -2.286 1.00 0.00 O ATOM 76 CB GLU A 6 -16.975 18.645 -0.279 1.00 0.00 C ATOM 77 CG GLU A 6 -18.474 18.395 -0.456 1.00 0.00 C ATOM 78 CD GLU A 6 -19.258 19.608 0.024 1.00 0.00 C ATOM 79 OE1 GLU A 6 -18.788 20.712 -0.360 1.00 0.00 O ATOM 80 OE2 GLU A 6 -20.271 19.421 0.749 1.00 0.00 O ATOM 0 H GLU A 6 -14.749 18.444 0.274 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.829 16.553 -0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.767 18.999 0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -16.638 19.422 -0.965 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.698 18.197 -1.504 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -18.774 17.511 0.106 1.00 0.00 H new ATOM 87 N GLU A 7 -15.098 17.144 -2.644 1.00 0.00 N ATOM 88 CA GLU A 7 -14.840 16.609 -3.945 1.00 0.00 C ATOM 89 C GLU A 7 -14.625 15.135 -3.918 1.00 0.00 C ATOM 90 O GLU A 7 -15.237 14.439 -4.727 1.00 0.00 O ATOM 91 CB GLU A 7 -13.562 17.246 -4.515 1.00 0.00 C ATOM 92 CG GLU A 7 -13.306 17.048 -6.011 1.00 0.00 C ATOM 93 CD GLU A 7 -11.859 17.479 -6.200 1.00 0.00 C ATOM 94 OE1 GLU A 7 -11.652 18.698 -5.959 1.00 0.00 O ATOM 95 OE2 GLU A 7 -11.044 16.573 -6.520 1.00 0.00 O ATOM 0 H GLU A 7 -14.403 17.816 -2.319 1.00 0.00 H new ATOM 0 HA GLU A 7 -15.714 16.830 -4.557 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.596 18.317 -4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -12.709 16.846 -3.967 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.454 16.009 -6.307 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.984 17.651 -6.615 1.00 0.00 H new ATOM 102 N GLN A 8 -13.858 14.665 -2.919 1.00 0.00 N ATOM 103 CA GLN A 8 -13.666 13.262 -2.714 1.00 0.00 C ATOM 104 C GLN A 8 -14.893 12.570 -2.230 1.00 0.00 C ATOM 105 O GLN A 8 -15.173 11.492 -2.752 1.00 0.00 O ATOM 106 CB GLN A 8 -12.553 13.063 -1.671 1.00 0.00 C ATOM 107 CG GLN A 8 -11.181 13.659 -1.993 1.00 0.00 C ATOM 108 CD GLN A 8 -10.184 13.484 -0.856 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.171 14.313 0.052 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.260 12.507 -1.061 1.00 0.00 N ATOM 0 H GLN A 8 -13.368 15.259 -2.250 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.403 12.828 -3.679 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -12.894 13.489 -0.727 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.427 11.992 -1.511 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -10.786 13.187 -2.893 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.293 14.721 -2.213 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.362 11.866 -1.848 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.465 12.416 -0.428 1.00 0.00 H new ATOM 119 N ILE A 9 -15.644 13.162 -1.284 1.00 0.00 N ATOM 120 CA ILE A 9 -16.857 12.597 -0.780 1.00 0.00 C ATOM 121 C ILE A 9 -17.848 12.434 -1.881 1.00 0.00 C ATOM 122 O ILE A 9 -18.401 11.339 -1.972 1.00 0.00 O ATOM 123 CB ILE A 9 -17.334 13.476 0.338 1.00 0.00 C ATOM 124 CG1 ILE A 9 -16.257 13.593 1.429 1.00 0.00 C ATOM 125 CG2 ILE A 9 -18.712 13.085 0.897 1.00 0.00 C ATOM 126 CD1 ILE A 9 -16.584 14.570 2.557 1.00 0.00 C ATOM 0 H ILE A 9 -15.401 14.057 -0.859 1.00 0.00 H new ATOM 0 HA ILE A 9 -16.702 11.594 -0.382 1.00 0.00 H new ATOM 0 HB ILE A 9 -17.493 14.467 -0.087 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.090 12.606 1.861 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -15.321 13.900 0.963 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -18.986 13.768 1.701 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -19.456 13.143 0.103 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -18.672 12.067 1.284 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.765 14.582 3.276 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -16.720 15.570 2.144 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.501 14.256 3.056 1.00 0.00 H new ATOM 138 N ALA A 10 -17.919 13.358 -2.856 1.00 0.00 N ATOM 139 CA ALA A 10 -18.689 13.182 -4.048 1.00 0.00 C ATOM 140 C ALA A 10 -18.147 12.094 -4.911 1.00 0.00 C ATOM 141 O ALA A 10 -18.883 11.292 -5.483 1.00 0.00 O ATOM 142 CB ALA A 10 -18.777 14.535 -4.774 1.00 0.00 C ATOM 0 H ALA A 10 -17.428 14.251 -2.814 1.00 0.00 H new ATOM 0 HA ALA A 10 -19.696 12.857 -3.789 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.361 14.421 -5.687 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.258 15.266 -4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -17.774 14.879 -5.026 1.00 0.00 H new ATOM 148 N GLU A 11 -16.829 11.994 -5.160 1.00 0.00 N ATOM 149 CA GLU A 11 -16.402 10.962 -6.052 1.00 0.00 C ATOM 150 C GLU A 11 -16.586 9.607 -5.460 1.00 0.00 C ATOM 151 O GLU A 11 -16.838 8.628 -6.160 1.00 0.00 O ATOM 152 CB GLU A 11 -14.939 11.128 -6.496 1.00 0.00 C ATOM 153 CG GLU A 11 -14.709 12.375 -7.353 1.00 0.00 C ATOM 154 CD GLU A 11 -13.372 12.199 -8.058 1.00 0.00 C ATOM 155 OE1 GLU A 11 -12.355 12.331 -7.325 1.00 0.00 O ATOM 156 OE2 GLU A 11 -13.378 11.746 -9.234 1.00 0.00 O ATOM 0 H GLU A 11 -16.097 12.588 -4.771 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.038 11.057 -6.932 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.301 11.178 -5.613 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.634 10.246 -7.059 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.513 12.496 -8.079 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.701 13.271 -6.733 1.00 0.00 H new ATOM 163 N PHE A 12 -16.477 9.507 -4.123 1.00 0.00 N ATOM 164 CA PHE A 12 -16.700 8.281 -3.421 1.00 0.00 C ATOM 165 C PHE A 12 -18.139 7.894 -3.435 1.00 0.00 C ATOM 166 O PHE A 12 -18.418 6.697 -3.481 1.00 0.00 O ATOM 167 CB PHE A 12 -16.143 8.428 -1.994 1.00 0.00 C ATOM 168 CG PHE A 12 -14.659 8.469 -1.872 1.00 0.00 C ATOM 169 CD1 PHE A 12 -13.872 7.666 -2.664 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.165 9.399 -0.988 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.539 7.586 -2.336 1.00 0.00 C ATOM 172 CE2 PHE A 12 -12.803 9.413 -0.796 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.008 8.539 -1.499 1.00 0.00 C ATOM 0 H PHE A 12 -16.230 10.291 -3.519 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.175 7.468 -3.922 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.549 9.342 -1.560 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.514 7.598 -1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.281 7.124 -3.504 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.816 10.087 -0.469 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.922 6.791 -2.728 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.360 10.107 -0.097 1.00 0.00 H new ATOM 0 HZ PHE A 12 -10.935 8.603 -1.391 1.00 0.00 H new ATOM 183 N LYS A 13 -19.061 8.872 -3.396 1.00 0.00 N ATOM 184 CA LYS A 13 -20.446 8.548 -3.540 1.00 0.00 C ATOM 185 C LYS A 13 -20.800 7.910 -4.840 1.00 0.00 C ATOM 186 O LYS A 13 -21.475 6.882 -4.807 1.00 0.00 O ATOM 187 CB LYS A 13 -21.353 9.757 -3.254 1.00 0.00 C ATOM 188 CG LYS A 13 -22.811 9.329 -3.071 1.00 0.00 C ATOM 189 CD LYS A 13 -23.669 10.373 -2.354 1.00 0.00 C ATOM 190 CE LYS A 13 -23.799 11.690 -3.123 1.00 0.00 C ATOM 191 NZ LYS A 13 -24.077 11.631 -4.575 1.00 0.00 N ATOM 0 H LYS A 13 -18.856 9.863 -3.268 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.630 7.789 -2.780 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.007 10.269 -2.356 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.282 10.470 -4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.246 9.123 -4.049 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -22.839 8.397 -2.506 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -24.664 9.960 -2.185 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.237 10.575 -1.374 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -24.595 12.270 -2.656 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -22.873 12.248 -2.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -24.137 12.597 -4.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -23.311 11.117 -5.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -24.978 11.138 -4.736 1.00 0.00 H new ATOM 205 N GLU A 14 -20.234 8.344 -5.980 1.00 0.00 N ATOM 206 CA GLU A 14 -20.343 7.710 -7.257 1.00 0.00 C ATOM 207 C GLU A 14 -19.849 6.304 -7.263 1.00 0.00 C ATOM 208 O GLU A 14 -20.680 5.439 -7.536 1.00 0.00 O ATOM 209 CB GLU A 14 -19.677 8.564 -8.349 1.00 0.00 C ATOM 210 CG GLU A 14 -20.084 10.013 -8.622 1.00 0.00 C ATOM 211 CD GLU A 14 -21.559 10.110 -8.984 1.00 0.00 C ATOM 212 OE1 GLU A 14 -22.017 9.423 -9.936 1.00 0.00 O ATOM 213 OE2 GLU A 14 -22.243 10.865 -8.243 1.00 0.00 O ATOM 0 H GLU A 14 -19.665 9.190 -6.011 1.00 0.00 H new ATOM 0 HA GLU A 14 -21.407 7.640 -7.484 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -18.610 8.576 -8.128 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -19.802 8.023 -9.287 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -19.882 10.623 -7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.480 10.417 -9.435 1.00 0.00 H new ATOM 220 N ALA A 15 -18.653 6.031 -6.712 1.00 0.00 N ATOM 221 CA ALA A 15 -18.195 4.690 -6.518 1.00 0.00 C ATOM 222 C ALA A 15 -19.029 3.810 -5.652 1.00 0.00 C ATOM 223 O ALA A 15 -19.440 2.712 -6.024 1.00 0.00 O ATOM 224 CB ALA A 15 -16.763 4.745 -5.959 1.00 0.00 C ATOM 0 H ALA A 15 -17.997 6.747 -6.398 1.00 0.00 H new ATOM 0 HA ALA A 15 -18.257 4.225 -7.502 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.394 3.731 -5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.116 5.262 -6.667 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.763 5.281 -5.010 1.00 0.00 H new ATOM 230 N PHE A 16 -19.307 4.204 -4.396 1.00 0.00 N ATOM 231 CA PHE A 16 -20.220 3.509 -3.544 1.00 0.00 C ATOM 232 C PHE A 16 -21.461 2.959 -4.158 1.00 0.00 C ATOM 233 O PHE A 16 -21.750 1.770 -4.028 1.00 0.00 O ATOM 234 CB PHE A 16 -20.666 4.448 -2.410 1.00 0.00 C ATOM 235 CG PHE A 16 -21.441 3.818 -1.304 1.00 0.00 C ATOM 236 CD1 PHE A 16 -20.778 3.143 -0.306 1.00 0.00 C ATOM 237 CD2 PHE A 16 -22.812 3.864 -1.209 1.00 0.00 C ATOM 238 CE1 PHE A 16 -21.379 2.538 0.772 1.00 0.00 C ATOM 239 CE2 PHE A 16 -23.488 3.401 -0.105 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.730 2.779 0.860 1.00 0.00 C ATOM 0 H PHE A 16 -18.886 5.026 -3.963 1.00 0.00 H new ATOM 0 HA PHE A 16 -19.643 2.642 -3.221 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -19.779 4.917 -1.984 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.271 5.245 -2.842 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -19.702 3.084 -0.375 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -23.378 4.278 -2.030 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -20.840 1.930 1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -24.556 3.519 -0.001 1.00 0.00 H new ATOM 0 HZ PHE A 16 -23.236 2.454 1.757 1.00 0.00 H new ATOM 250 N SER A 17 -22.189 3.858 -4.843 1.00 0.00 N ATOM 251 CA SER A 17 -23.361 3.654 -5.637 1.00 0.00 C ATOM 252 C SER A 17 -23.304 2.825 -6.874 1.00 0.00 C ATOM 253 O SER A 17 -24.282 2.339 -7.439 1.00 0.00 O ATOM 254 CB SER A 17 -24.019 4.984 -6.043 1.00 0.00 C ATOM 255 OG SER A 17 -24.544 5.690 -4.928 1.00 0.00 O ATOM 0 H SER A 17 -21.922 4.842 -4.837 1.00 0.00 H new ATOM 0 HA SER A 17 -23.930 3.057 -4.924 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.285 5.609 -6.553 1.00 0.00 H new ATOM 0 HB3 SER A 17 -24.820 4.787 -6.755 1.00 0.00 H new ATOM 0 HG SER A 17 -24.950 6.528 -5.233 1.00 0.00 H new ATOM 261 N LEU A 18 -22.049 2.661 -7.331 1.00 0.00 N ATOM 262 CA LEU A 18 -21.749 1.800 -8.432 1.00 0.00 C ATOM 263 C LEU A 18 -21.860 0.450 -7.812 1.00 0.00 C ATOM 264 O LEU A 18 -22.492 -0.443 -8.373 1.00 0.00 O ATOM 265 CB LEU A 18 -20.353 1.993 -9.046 1.00 0.00 C ATOM 266 CG LEU A 18 -20.207 3.124 -10.079 1.00 0.00 C ATOM 267 CD1 LEU A 18 -18.725 3.192 -10.484 1.00 0.00 C ATOM 268 CD2 LEU A 18 -21.170 2.854 -11.248 1.00 0.00 C ATOM 0 H LEU A 18 -21.235 3.130 -6.933 1.00 0.00 H new ATOM 0 HA LEU A 18 -22.416 1.991 -9.273 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -19.647 2.177 -8.236 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -20.057 1.057 -9.520 1.00 0.00 H new ATOM 0 HG LEU A 18 -20.481 4.101 -9.682 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -18.584 3.986 -11.218 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -18.116 3.400 -9.604 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.422 2.239 -10.918 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -21.076 3.649 -11.988 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -20.923 1.898 -11.710 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -22.194 2.823 -10.876 1.00 0.00 H new ATOM 280 N PHE A 19 -21.116 0.242 -6.710 1.00 0.00 N ATOM 281 CA PHE A 19 -20.922 -1.078 -6.196 1.00 0.00 C ATOM 282 C PHE A 19 -22.138 -1.703 -5.605 1.00 0.00 C ATOM 283 O PHE A 19 -22.284 -2.923 -5.544 1.00 0.00 O ATOM 284 CB PHE A 19 -19.827 -1.006 -5.118 1.00 0.00 C ATOM 285 CG PHE A 19 -18.540 -0.498 -5.671 1.00 0.00 C ATOM 286 CD1 PHE A 19 -17.957 -0.811 -6.876 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.817 0.289 -4.807 1.00 0.00 C ATOM 288 CE1 PHE A 19 -16.749 -0.260 -7.232 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.613 0.866 -5.135 1.00 0.00 C ATOM 290 CZ PHE A 19 -16.046 0.511 -6.336 1.00 0.00 C ATOM 0 H PHE A 19 -20.653 0.980 -6.180 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.647 -1.709 -7.041 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -20.157 -0.356 -4.308 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.673 -1.996 -4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.452 -1.496 -7.549 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -18.216 0.463 -3.818 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.350 -0.433 -8.220 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -16.131 1.571 -4.474 1.00 0.00 H new ATOM 0 HZ PHE A 19 -15.045 0.839 -6.577 1.00 0.00 H new ATOM 300 N ASP A 20 -23.048 -0.896 -5.031 1.00 0.00 N ATOM 301 CA ASP A 20 -24.332 -1.406 -4.660 1.00 0.00 C ATOM 302 C ASP A 20 -25.169 -1.879 -5.799 1.00 0.00 C ATOM 303 O ASP A 20 -25.629 -1.137 -6.666 1.00 0.00 O ATOM 304 CB ASP A 20 -25.053 -0.322 -3.842 1.00 0.00 C ATOM 305 CG ASP A 20 -26.320 -0.820 -3.161 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.538 -2.060 -3.183 1.00 0.00 O ATOM 307 OD2 ASP A 20 -27.054 -0.057 -2.478 1.00 0.00 O ATOM 0 H ASP A 20 -22.900 0.092 -4.826 1.00 0.00 H new ATOM 0 HA ASP A 20 -24.171 -2.306 -4.066 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -24.371 0.065 -3.085 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.306 0.510 -4.499 1.00 0.00 H new ATOM 312 N LYS A 21 -25.453 -3.193 -5.831 1.00 0.00 N ATOM 313 CA LYS A 21 -26.169 -3.820 -6.899 1.00 0.00 C ATOM 314 C LYS A 21 -27.645 -3.654 -6.778 1.00 0.00 C ATOM 315 O LYS A 21 -28.322 -3.239 -7.717 1.00 0.00 O ATOM 316 CB LYS A 21 -25.805 -5.312 -6.982 1.00 0.00 C ATOM 317 CG LYS A 21 -26.477 -6.117 -8.096 1.00 0.00 C ATOM 318 CD LYS A 21 -25.884 -7.499 -8.378 1.00 0.00 C ATOM 319 CE LYS A 21 -26.769 -8.355 -9.286 1.00 0.00 C ATOM 320 NZ LYS A 21 -28.029 -8.699 -8.590 1.00 0.00 N ATOM 0 H LYS A 21 -25.176 -3.839 -5.092 1.00 0.00 H new ATOM 0 HA LYS A 21 -25.868 -3.320 -7.819 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.725 -5.393 -7.106 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -26.052 -5.777 -6.028 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -27.530 -6.240 -7.843 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.436 -5.532 -9.015 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -24.905 -7.380 -8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -25.729 -8.021 -7.434 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -26.989 -7.815 -10.207 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -26.240 -9.265 -9.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -28.462 -9.528 -9.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -27.827 -8.918 -7.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -28.685 -7.894 -8.641 1.00 0.00 H new ATOM 334 N ASP A 22 -28.267 -3.976 -5.629 1.00 0.00 N ATOM 335 CA ASP A 22 -29.678 -3.793 -5.489 1.00 0.00 C ATOM 336 C ASP A 22 -30.108 -2.379 -5.299 1.00 0.00 C ATOM 337 O ASP A 22 -31.136 -1.964 -5.833 1.00 0.00 O ATOM 338 CB ASP A 22 -30.382 -4.602 -4.386 1.00 0.00 C ATOM 339 CG ASP A 22 -29.520 -4.923 -3.174 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.799 -4.032 -2.650 1.00 0.00 O ATOM 341 OD2 ASP A 22 -29.477 -6.113 -2.764 1.00 0.00 O ATOM 0 H ASP A 22 -27.800 -4.358 -4.807 1.00 0.00 H new ATOM 0 HA ASP A 22 -29.991 -4.177 -6.460 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -31.259 -4.047 -4.053 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.741 -5.537 -4.815 1.00 0.00 H new ATOM 346 N GLY A 23 -29.403 -1.611 -4.450 1.00 0.00 N ATOM 347 CA GLY A 23 -29.644 -0.219 -4.227 1.00 0.00 C ATOM 348 C GLY A 23 -30.316 0.050 -2.925 1.00 0.00 C ATOM 349 O GLY A 23 -31.355 0.709 -2.906 1.00 0.00 O ATOM 0 H GLY A 23 -28.630 -1.977 -3.894 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -28.696 0.319 -4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -30.260 0.172 -5.036 1.00 0.00 H new ATOM 353 N ASP A 24 -29.776 -0.480 -1.813 1.00 0.00 N ATOM 354 CA ASP A 24 -30.340 -0.296 -0.511 1.00 0.00 C ATOM 355 C ASP A 24 -29.548 0.624 0.352 1.00 0.00 C ATOM 356 O ASP A 24 -29.850 0.821 1.528 1.00 0.00 O ATOM 357 CB ASP A 24 -30.638 -1.649 0.158 1.00 0.00 C ATOM 358 CG ASP A 24 -29.484 -2.618 0.371 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.372 -2.409 -0.183 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.642 -3.571 1.180 1.00 0.00 O ATOM 0 H ASP A 24 -28.929 -1.049 -1.818 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.294 0.213 -0.647 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -31.087 -1.447 1.131 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.393 -2.157 -0.442 1.00 0.00 H new ATOM 365 N GLY A 25 -28.420 1.115 -0.192 1.00 0.00 N ATOM 366 CA GLY A 25 -27.536 2.029 0.463 1.00 0.00 C ATOM 367 C GLY A 25 -26.417 1.346 1.171 1.00 0.00 C ATOM 368 O GLY A 25 -25.675 2.028 1.876 1.00 0.00 O ATOM 0 H GLY A 25 -28.110 0.863 -1.131 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -27.126 2.720 -0.273 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -28.102 2.625 1.179 1.00 0.00 H new ATOM 372 N THR A 26 -26.142 0.039 1.008 1.00 0.00 N ATOM 373 CA THR A 26 -24.871 -0.479 1.408 1.00 0.00 C ATOM 374 C THR A 26 -24.322 -1.438 0.408 1.00 0.00 C ATOM 375 O THR A 26 -24.976 -1.925 -0.513 1.00 0.00 O ATOM 376 CB THR A 26 -24.884 -1.090 2.778 1.00 0.00 C ATOM 377 OG1 THR A 26 -25.600 -2.304 2.952 1.00 0.00 O ATOM 378 CG2 THR A 26 -25.517 -0.211 3.870 1.00 0.00 C ATOM 0 H THR A 26 -26.784 -0.646 0.608 1.00 0.00 H new ATOM 0 HA THR A 26 -24.207 0.384 1.455 1.00 0.00 H new ATOM 0 HB THR A 26 -23.808 -1.237 2.874 1.00 0.00 H new ATOM 0 HG1 THR A 26 -25.441 -2.651 3.854 1.00 0.00 H new ATOM 0 HG21 THR A 26 -25.481 -0.735 4.825 1.00 0.00 H new ATOM 0 HG22 THR A 26 -24.965 0.725 3.949 1.00 0.00 H new ATOM 0 HG23 THR A 26 -26.554 0.001 3.611 1.00 0.00 H new ATOM 386 N ILE A 27 -22.995 -1.645 0.489 1.00 0.00 N ATOM 387 CA ILE A 27 -22.262 -2.722 -0.100 1.00 0.00 C ATOM 388 C ILE A 27 -22.117 -3.868 0.841 1.00 0.00 C ATOM 389 O ILE A 27 -21.508 -3.897 1.909 1.00 0.00 O ATOM 390 CB ILE A 27 -20.919 -2.353 -0.657 1.00 0.00 C ATOM 391 CG1 ILE A 27 -20.906 -0.934 -1.250 1.00 0.00 C ATOM 392 CG2 ILE A 27 -20.205 -3.345 -1.592 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.512 -0.309 -1.263 1.00 0.00 C ATOM 0 H ILE A 27 -22.389 -1.009 1.007 1.00 0.00 H new ATOM 0 HA ILE A 27 -22.872 -3.015 -0.955 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.307 -2.399 0.244 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -21.293 -0.967 -2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.578 -0.298 -0.674 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.249 -2.926 -1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -20.035 -4.284 -1.065 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -20.825 -3.529 -2.469 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -19.566 0.691 -1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -19.132 -0.246 -0.243 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -18.842 -0.926 -1.863 1.00 0.00 H new ATOM 405 N THR A 28 -22.556 -5.037 0.341 1.00 0.00 N ATOM 406 CA THR A 28 -22.410 -6.334 0.926 1.00 0.00 C ATOM 407 C THR A 28 -21.144 -7.032 0.564 1.00 0.00 C ATOM 408 O THR A 28 -20.409 -6.560 -0.302 1.00 0.00 O ATOM 409 CB THR A 28 -23.523 -7.299 0.645 1.00 0.00 C ATOM 410 OG1 THR A 28 -23.889 -7.364 -0.725 1.00 0.00 O ATOM 411 CG2 THR A 28 -24.718 -6.948 1.547 1.00 0.00 C ATOM 0 H THR A 28 -23.055 -5.076 -0.548 1.00 0.00 H new ATOM 0 HA THR A 28 -22.417 -6.075 1.985 1.00 0.00 H new ATOM 0 HB THR A 28 -23.167 -8.303 0.877 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.616 -8.011 -0.839 1.00 0.00 H new ATOM 0 HG21 THR A 28 -25.536 -7.642 1.354 1.00 0.00 H new ATOM 0 HG22 THR A 28 -24.419 -7.022 2.593 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.047 -5.931 1.335 1.00 0.00 H new ATOM 419 N THR A 29 -20.932 -8.165 1.257 1.00 0.00 N ATOM 420 CA THR A 29 -20.015 -9.205 0.909 1.00 0.00 C ATOM 421 C THR A 29 -20.064 -9.698 -0.496 1.00 0.00 C ATOM 422 O THR A 29 -19.094 -9.562 -1.240 1.00 0.00 O ATOM 423 CB THR A 29 -20.029 -10.316 1.916 1.00 0.00 C ATOM 424 OG1 THR A 29 -20.283 -9.721 3.181 1.00 0.00 O ATOM 425 CG2 THR A 29 -18.617 -10.904 2.069 1.00 0.00 C ATOM 0 H THR A 29 -21.437 -8.367 2.120 1.00 0.00 H new ATOM 0 HA THR A 29 -19.042 -8.715 0.949 1.00 0.00 H new ATOM 0 HB THR A 29 -20.755 -11.069 1.608 1.00 0.00 H new ATOM 0 HG1 THR A 29 -20.073 -10.362 3.892 1.00 0.00 H new ATOM 0 HG21 THR A 29 -18.636 -11.710 2.802 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.279 -11.295 1.109 1.00 0.00 H new ATOM 0 HG23 THR A 29 -17.933 -10.125 2.404 1.00 0.00 H new ATOM 433 N LYS A 30 -21.219 -10.138 -1.029 1.00 0.00 N ATOM 434 CA LYS A 30 -21.342 -10.444 -2.420 1.00 0.00 C ATOM 435 C LYS A 30 -21.266 -9.342 -3.420 1.00 0.00 C ATOM 436 O LYS A 30 -20.865 -9.560 -4.562 1.00 0.00 O ATOM 437 CB LYS A 30 -22.597 -11.270 -2.749 1.00 0.00 C ATOM 438 CG LYS A 30 -23.933 -10.599 -2.427 1.00 0.00 C ATOM 439 CD LYS A 30 -25.143 -11.512 -2.639 1.00 0.00 C ATOM 440 CE LYS A 30 -26.458 -10.884 -2.173 1.00 0.00 C ATOM 441 NZ LYS A 30 -26.571 -11.011 -0.703 1.00 0.00 N ATOM 0 H LYS A 30 -22.073 -10.282 -0.491 1.00 0.00 H new ATOM 0 HA LYS A 30 -20.419 -11.011 -2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -22.581 -11.515 -3.811 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -22.543 -12.212 -2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.920 -10.261 -1.391 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -24.044 -9.712 -3.050 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -25.221 -11.761 -3.697 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -24.984 -12.447 -2.102 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -26.494 -9.834 -2.462 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -27.301 -11.377 -2.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -27.465 -10.584 -0.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -26.555 -12.017 -0.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -25.773 -10.521 -0.250 1.00 0.00 H new ATOM 455 N GLU A 31 -21.614 -8.090 -3.073 1.00 0.00 N ATOM 456 CA GLU A 31 -21.396 -6.943 -3.899 1.00 0.00 C ATOM 457 C GLU A 31 -19.957 -6.647 -4.152 1.00 0.00 C ATOM 458 O GLU A 31 -19.599 -6.376 -5.297 1.00 0.00 O ATOM 459 CB GLU A 31 -22.290 -5.755 -3.505 1.00 0.00 C ATOM 460 CG GLU A 31 -23.771 -5.976 -3.818 1.00 0.00 C ATOM 461 CD GLU A 31 -24.717 -5.185 -2.926 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.527 -4.753 -1.758 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.841 -4.940 -3.440 1.00 0.00 O ATOM 0 H GLU A 31 -22.064 -7.868 -2.185 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.745 -7.198 -4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.177 -5.564 -2.438 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.946 -4.862 -4.027 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -23.956 -5.705 -4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -23.998 -7.038 -3.720 1.00 0.00 H new ATOM 470 N LEU A 32 -19.089 -6.695 -3.127 1.00 0.00 N ATOM 471 CA LEU A 32 -17.698 -6.421 -3.315 1.00 0.00 C ATOM 472 C LEU A 32 -16.971 -7.486 -4.062 1.00 0.00 C ATOM 473 O LEU A 32 -16.072 -7.207 -4.854 1.00 0.00 O ATOM 474 CB LEU A 32 -16.927 -5.994 -2.054 1.00 0.00 C ATOM 475 CG LEU A 32 -15.534 -5.343 -2.088 1.00 0.00 C ATOM 476 CD1 LEU A 32 -15.618 -3.998 -2.829 1.00 0.00 C ATOM 477 CD2 LEU A 32 -14.982 -5.156 -0.665 1.00 0.00 C ATOM 0 H LEU A 32 -19.350 -6.923 -2.168 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.721 -5.535 -3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.576 -5.301 -1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.833 -6.886 -1.435 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.846 -5.999 -2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -14.632 -3.534 -2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.967 -4.165 -3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.315 -3.340 -2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.996 -4.694 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.655 -4.515 -0.095 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.903 -6.126 -0.175 1.00 0.00 H new ATOM 489 N GLY A 33 -17.417 -8.751 -3.968 1.00 0.00 N ATOM 490 CA GLY A 33 -16.904 -9.872 -4.693 1.00 0.00 C ATOM 491 C GLY A 33 -17.379 -9.800 -6.103 1.00 0.00 C ATOM 492 O GLY A 33 -16.713 -10.371 -6.965 1.00 0.00 O ATOM 0 H GLY A 33 -18.184 -9.007 -3.346 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.814 -9.872 -4.663 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.236 -10.802 -4.231 1.00 0.00 H new ATOM 496 N THR A 34 -18.457 -9.055 -6.409 1.00 0.00 N ATOM 497 CA THR A 34 -18.804 -8.648 -7.735 1.00 0.00 C ATOM 498 C THR A 34 -17.850 -7.694 -8.367 1.00 0.00 C ATOM 499 O THR A 34 -17.539 -7.888 -9.541 1.00 0.00 O ATOM 500 CB THR A 34 -20.226 -8.174 -7.782 1.00 0.00 C ATOM 501 OG1 THR A 34 -21.173 -9.179 -7.452 1.00 0.00 O ATOM 502 CG2 THR A 34 -20.552 -7.687 -9.204 1.00 0.00 C ATOM 0 H THR A 34 -19.114 -8.723 -5.703 1.00 0.00 H new ATOM 0 HA THR A 34 -18.718 -9.537 -8.360 1.00 0.00 H new ATOM 0 HB THR A 34 -20.304 -7.380 -7.040 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.130 -9.366 -6.491 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.585 -7.342 -9.242 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.885 -6.867 -9.470 1.00 0.00 H new ATOM 0 HG23 THR A 34 -20.417 -8.507 -9.909 1.00 0.00 H new ATOM 510 N VAL A 35 -17.291 -6.748 -7.590 1.00 0.00 N ATOM 511 CA VAL A 35 -16.251 -5.888 -8.063 1.00 0.00 C ATOM 512 C VAL A 35 -15.031 -6.710 -8.301 1.00 0.00 C ATOM 513 O VAL A 35 -14.507 -6.704 -9.414 1.00 0.00 O ATOM 514 CB VAL A 35 -15.864 -4.797 -7.110 1.00 0.00 C ATOM 515 CG1 VAL A 35 -15.130 -3.751 -7.966 1.00 0.00 C ATOM 516 CG2 VAL A 35 -17.191 -4.142 -6.691 1.00 0.00 C ATOM 0 H VAL A 35 -17.564 -6.578 -6.622 1.00 0.00 H new ATOM 0 HA VAL A 35 -16.641 -5.413 -8.963 1.00 0.00 H new ATOM 0 HB VAL A 35 -15.272 -5.145 -6.264 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -14.816 -2.920 -7.335 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.254 -4.208 -8.427 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -15.799 -3.383 -8.744 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -16.991 -3.331 -5.991 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -17.695 -3.745 -7.572 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -17.829 -4.885 -6.212 1.00 0.00 H new ATOM 526 N MET A 36 -14.638 -7.523 -7.304 1.00 0.00 N ATOM 527 CA MET A 36 -13.507 -8.397 -7.349 1.00 0.00 C ATOM 528 C MET A 36 -13.558 -9.269 -8.556 1.00 0.00 C ATOM 529 O MET A 36 -12.588 -9.373 -9.305 1.00 0.00 O ATOM 530 CB MET A 36 -13.318 -9.248 -6.082 1.00 0.00 C ATOM 531 CG MET A 36 -12.844 -8.533 -4.815 1.00 0.00 C ATOM 532 SD MET A 36 -11.186 -7.789 -4.781 1.00 0.00 S ATOM 533 CE MET A 36 -11.423 -6.949 -3.189 1.00 0.00 C ATOM 0 H MET A 36 -15.138 -7.573 -6.417 1.00 0.00 H new ATOM 0 HA MET A 36 -12.637 -7.743 -7.405 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.268 -9.734 -5.859 1.00 0.00 H new ATOM 0 HB3 MET A 36 -12.602 -10.037 -6.311 1.00 0.00 H new ATOM 0 HG2 MET A 36 -13.562 -7.743 -4.597 1.00 0.00 H new ATOM 0 HG3 MET A 36 -12.899 -9.249 -3.995 1.00 0.00 H new ATOM 0 HE1 MET A 36 -10.518 -6.400 -2.929 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.260 -6.254 -3.265 1.00 0.00 H new ATOM 0 HE3 MET A 36 -11.634 -7.688 -2.416 1.00 0.00 H new ATOM 543 N ARG A 37 -14.699 -9.877 -8.929 1.00 0.00 N ATOM 544 CA ARG A 37 -14.894 -10.755 -10.040 1.00 0.00 C ATOM 545 C ARG A 37 -14.835 -10.146 -11.399 1.00 0.00 C ATOM 546 O ARG A 37 -14.385 -10.739 -12.378 1.00 0.00 O ATOM 547 CB ARG A 37 -16.166 -11.617 -9.980 1.00 0.00 C ATOM 548 CG ARG A 37 -16.075 -12.671 -8.875 1.00 0.00 C ATOM 549 CD ARG A 37 -15.538 -14.031 -9.326 1.00 0.00 C ATOM 550 NE ARG A 37 -16.696 -14.440 -10.170 1.00 0.00 N ATOM 551 CZ ARG A 37 -16.762 -15.664 -10.771 1.00 0.00 C ATOM 552 NH1 ARG A 37 -15.914 -16.720 -10.601 1.00 0.00 N ATOM 553 NH2 ARG A 37 -17.620 -15.760 -11.828 1.00 0.00 N ATOM 0 H ARG A 37 -15.562 -9.740 -8.403 1.00 0.00 H new ATOM 0 HA ARG A 37 -14.011 -11.382 -9.910 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -17.032 -10.979 -9.805 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -16.320 -12.108 -10.941 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -15.434 -12.289 -8.080 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -17.067 -12.812 -8.445 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -14.607 -13.956 -9.888 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -15.355 -14.713 -8.496 1.00 0.00 H new ATOM 0 HE ARG A 37 -17.465 -13.783 -10.303 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.122 -16.641 -9.963 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.072 -17.588 -11.112 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -18.161 -14.947 -12.121 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.720 -16.645 -12.325 1.00 0.00 H new ATOM 567 N SER A 38 -15.392 -8.934 -11.576 1.00 0.00 N ATOM 568 CA SER A 38 -15.500 -8.328 -12.866 1.00 0.00 C ATOM 569 C SER A 38 -14.143 -7.830 -13.228 1.00 0.00 C ATOM 570 O SER A 38 -13.851 -7.705 -14.416 1.00 0.00 O ATOM 571 CB SER A 38 -16.460 -7.127 -12.881 1.00 0.00 C ATOM 572 OG SER A 38 -17.768 -7.619 -12.627 1.00 0.00 O ATOM 0 H SER A 38 -15.771 -8.369 -10.816 1.00 0.00 H new ATOM 0 HA SER A 38 -15.888 -9.070 -13.564 1.00 0.00 H new ATOM 0 HB2 SER A 38 -16.172 -6.397 -12.124 1.00 0.00 H new ATOM 0 HB3 SER A 38 -16.423 -6.619 -13.845 1.00 0.00 H new ATOM 0 HG SER A 38 -17.885 -7.754 -11.664 1.00 0.00 H new ATOM 578 N LEU A 39 -13.231 -7.642 -12.257 1.00 0.00 N ATOM 579 CA LEU A 39 -11.856 -7.328 -12.492 1.00 0.00 C ATOM 580 C LEU A 39 -10.976 -8.523 -12.620 1.00 0.00 C ATOM 581 O LEU A 39 -9.760 -8.512 -12.806 1.00 0.00 O ATOM 582 CB LEU A 39 -11.211 -6.513 -11.359 1.00 0.00 C ATOM 583 CG LEU A 39 -11.853 -5.155 -11.029 1.00 0.00 C ATOM 584 CD1 LEU A 39 -11.413 -4.727 -9.619 1.00 0.00 C ATOM 585 CD2 LEU A 39 -11.625 -4.047 -12.070 1.00 0.00 C ATOM 0 H LEU A 39 -13.462 -7.712 -11.266 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.912 -6.766 -13.424 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.220 -7.122 -10.455 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.166 -6.341 -11.617 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.933 -5.302 -11.061 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.862 -3.765 -9.374 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.737 -5.474 -8.894 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.327 -4.639 -9.588 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.118 -3.132 -11.742 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.556 -3.864 -12.178 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.039 -4.358 -13.029 1.00 0.00 H new ATOM 597 N GLY A 40 -11.572 -9.726 -12.535 1.00 0.00 N ATOM 598 CA GLY A 40 -10.966 -10.995 -12.798 1.00 0.00 C ATOM 599 C GLY A 40 -10.465 -11.724 -11.600 1.00 0.00 C ATOM 600 O GLY A 40 -9.836 -12.775 -11.717 1.00 0.00 O ATOM 0 H GLY A 40 -12.551 -9.817 -12.262 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.693 -11.627 -13.309 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.134 -10.846 -13.486 1.00 0.00 H new ATOM 604 N GLN A 41 -10.711 -11.217 -10.378 1.00 0.00 N ATOM 605 CA GLN A 41 -10.236 -11.737 -9.134 1.00 0.00 C ATOM 606 C GLN A 41 -11.029 -12.899 -8.646 1.00 0.00 C ATOM 607 O GLN A 41 -12.091 -13.273 -9.142 1.00 0.00 O ATOM 608 CB GLN A 41 -10.004 -10.661 -8.059 1.00 0.00 C ATOM 609 CG GLN A 41 -8.942 -9.664 -8.528 1.00 0.00 C ATOM 610 CD GLN A 41 -8.507 -8.811 -7.345 1.00 0.00 C ATOM 611 OE1 GLN A 41 -8.041 -9.353 -6.343 1.00 0.00 O ATOM 612 NE2 GLN A 41 -8.507 -7.462 -7.518 1.00 0.00 N ATOM 0 H GLN A 41 -11.284 -10.383 -10.253 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.243 -12.130 -9.351 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.937 -10.138 -7.851 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.687 -11.130 -7.128 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.086 -10.194 -8.945 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.343 -9.032 -9.321 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.904 -7.056 -8.365 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.110 -6.856 -6.800 1.00 0.00 H new ATOM 621 N ASN A 42 -10.535 -13.629 -7.629 1.00 0.00 N ATOM 622 CA ASN A 42 -11.157 -14.843 -7.200 1.00 0.00 C ATOM 623 C ASN A 42 -11.173 -14.807 -5.710 1.00 0.00 C ATOM 624 O ASN A 42 -10.387 -15.535 -5.105 1.00 0.00 O ATOM 625 CB ASN A 42 -10.141 -15.873 -7.720 1.00 0.00 C ATOM 626 CG ASN A 42 -10.618 -17.314 -7.598 1.00 0.00 C ATOM 627 OD1 ASN A 42 -11.754 -17.537 -7.182 1.00 0.00 O ATOM 628 ND2 ASN A 42 -9.863 -18.273 -8.197 1.00 0.00 N ATOM 0 H ASN A 42 -9.700 -13.376 -7.101 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.175 -15.034 -7.539 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.922 -15.659 -8.766 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -9.207 -15.760 -7.169 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.235 -19.216 -8.314 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.925 -18.050 -8.529 1.00 0.00 H new ATOM 635 N PRO A 43 -11.910 -13.948 -5.072 1.00 0.00 N ATOM 636 CA PRO A 43 -11.695 -13.631 -3.690 1.00 0.00 C ATOM 637 C PRO A 43 -12.240 -14.689 -2.793 1.00 0.00 C ATOM 638 O PRO A 43 -13.060 -15.510 -3.202 1.00 0.00 O ATOM 639 CB PRO A 43 -12.451 -12.312 -3.546 1.00 0.00 C ATOM 640 CG PRO A 43 -13.676 -12.483 -4.459 1.00 0.00 C ATOM 641 CD PRO A 43 -13.034 -13.222 -5.644 1.00 0.00 C ATOM 0 HA PRO A 43 -10.643 -13.561 -3.412 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -12.746 -12.132 -2.512 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -11.838 -11.465 -3.855 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.468 -13.064 -3.987 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -14.112 -11.528 -4.752 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.743 -13.902 -6.116 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -12.703 -12.523 -6.412 1.00 0.00 H new ATOM 649 N THR A 44 -11.814 -14.676 -1.517 1.00 0.00 N ATOM 650 CA THR A 44 -12.262 -15.516 -0.451 1.00 0.00 C ATOM 651 C THR A 44 -13.219 -14.790 0.431 1.00 0.00 C ATOM 652 O THR A 44 -13.053 -13.631 0.805 1.00 0.00 O ATOM 653 CB THR A 44 -11.313 -16.313 0.395 1.00 0.00 C ATOM 654 OG1 THR A 44 -10.462 -15.426 1.106 1.00 0.00 O ATOM 655 CG2 THR A 44 -10.439 -17.211 -0.496 1.00 0.00 C ATOM 0 H THR A 44 -11.095 -14.022 -1.208 1.00 0.00 H new ATOM 0 HA THR A 44 -12.706 -16.311 -1.050 1.00 0.00 H new ATOM 0 HB THR A 44 -11.889 -16.928 1.086 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.842 -15.943 1.661 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.754 -17.785 0.127 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.075 -17.893 -1.060 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.868 -16.592 -1.188 1.00 0.00 H new ATOM 663 N GLU A 45 -14.335 -15.450 0.791 1.00 0.00 N ATOM 664 CA GLU A 45 -15.469 -14.908 1.472 1.00 0.00 C ATOM 665 C GLU A 45 -15.152 -14.386 2.831 1.00 0.00 C ATOM 666 O GLU A 45 -15.519 -13.266 3.183 1.00 0.00 O ATOM 667 CB GLU A 45 -16.553 -15.963 1.747 1.00 0.00 C ATOM 668 CG GLU A 45 -17.095 -16.500 0.420 1.00 0.00 C ATOM 669 CD GLU A 45 -18.260 -17.469 0.556 1.00 0.00 C ATOM 670 OE1 GLU A 45 -19.264 -17.093 1.219 1.00 0.00 O ATOM 671 OE2 GLU A 45 -18.133 -18.634 0.093 1.00 0.00 O ATOM 0 H GLU A 45 -14.451 -16.443 0.588 1.00 0.00 H new ATOM 0 HA GLU A 45 -15.800 -14.121 0.795 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.139 -16.779 2.339 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.362 -15.524 2.331 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.410 -15.658 -0.196 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.285 -16.999 -0.113 1.00 0.00 H new ATOM 678 N ALA A 46 -14.342 -15.086 3.644 1.00 0.00 N ATOM 679 CA ALA A 46 -13.969 -14.493 4.891 1.00 0.00 C ATOM 680 C ALA A 46 -13.047 -13.332 4.738 1.00 0.00 C ATOM 681 O ALA A 46 -12.997 -12.510 5.652 1.00 0.00 O ATOM 682 CB ALA A 46 -13.204 -15.445 5.825 1.00 0.00 C ATOM 0 H ALA A 46 -13.962 -16.013 3.455 1.00 0.00 H new ATOM 0 HA ALA A 46 -14.935 -14.205 5.306 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.955 -14.925 6.750 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.826 -16.311 6.051 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.287 -15.775 5.336 1.00 0.00 H new ATOM 688 N GLU A 47 -12.251 -13.190 3.664 1.00 0.00 N ATOM 689 CA GLU A 47 -11.394 -12.069 3.436 1.00 0.00 C ATOM 690 C GLU A 47 -12.063 -10.939 2.732 1.00 0.00 C ATOM 691 O GLU A 47 -11.638 -9.788 2.644 1.00 0.00 O ATOM 692 CB GLU A 47 -10.163 -12.493 2.618 1.00 0.00 C ATOM 693 CG GLU A 47 -9.120 -13.340 3.349 1.00 0.00 C ATOM 694 CD GLU A 47 -8.109 -12.446 4.051 1.00 0.00 C ATOM 695 OE1 GLU A 47 -8.488 -11.553 4.855 1.00 0.00 O ATOM 696 OE2 GLU A 47 -6.895 -12.695 3.823 1.00 0.00 O ATOM 0 H GLU A 47 -12.203 -13.888 2.922 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.104 -11.716 4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.507 -13.051 1.747 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.673 -11.593 2.247 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.612 -13.985 4.077 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.609 -13.991 2.640 1.00 0.00 H new ATOM 703 N LEU A 48 -13.240 -11.149 2.117 1.00 0.00 N ATOM 704 CA LEU A 48 -14.227 -10.142 1.882 1.00 0.00 C ATOM 705 C LEU A 48 -14.963 -9.731 3.110 1.00 0.00 C ATOM 706 O LEU A 48 -15.304 -8.558 3.255 1.00 0.00 O ATOM 707 CB LEU A 48 -15.264 -10.615 0.849 1.00 0.00 C ATOM 708 CG LEU A 48 -14.787 -10.687 -0.611 1.00 0.00 C ATOM 709 CD1 LEU A 48 -15.753 -11.629 -1.348 1.00 0.00 C ATOM 710 CD2 LEU A 48 -14.733 -9.284 -1.240 1.00 0.00 C ATOM 0 H LEU A 48 -13.517 -12.066 1.767 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.669 -9.282 1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.614 -11.604 1.144 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.123 -9.946 0.896 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.771 -11.076 -0.680 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -15.454 -11.712 -2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -15.726 -12.615 -0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.765 -11.229 -1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -14.393 -9.361 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -15.727 -8.837 -1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.041 -8.659 -0.676 1.00 0.00 H new ATOM 722 N GLN A 49 -15.401 -10.588 4.050 1.00 0.00 N ATOM 723 CA GLN A 49 -16.160 -10.258 5.216 1.00 0.00 C ATOM 724 C GLN A 49 -15.330 -9.502 6.195 1.00 0.00 C ATOM 725 O GLN A 49 -15.842 -8.705 6.979 1.00 0.00 O ATOM 726 CB GLN A 49 -16.764 -11.536 5.822 1.00 0.00 C ATOM 727 CG GLN A 49 -17.883 -11.196 6.809 1.00 0.00 C ATOM 728 CD GLN A 49 -19.207 -10.683 6.260 1.00 0.00 C ATOM 729 OE1 GLN A 49 -19.765 -11.326 5.372 1.00 0.00 O ATOM 730 NE2 GLN A 49 -19.653 -9.489 6.736 1.00 0.00 N ATOM 0 H GLN A 49 -15.209 -11.588 3.988 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.984 -9.601 4.937 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.155 -12.171 5.027 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -15.986 -12.105 6.330 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -18.092 -12.092 7.394 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.498 -10.446 7.500 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.139 -9.010 7.475 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.502 -9.072 6.353 1.00 0.00 H new ATOM 739 N ASP A 50 -14.019 -9.780 6.317 1.00 0.00 N ATOM 740 CA ASP A 50 -13.192 -9.213 7.336 1.00 0.00 C ATOM 741 C ASP A 50 -12.994 -7.743 7.193 1.00 0.00 C ATOM 742 O ASP A 50 -12.991 -6.938 8.122 1.00 0.00 O ATOM 743 CB ASP A 50 -11.871 -10.000 7.355 1.00 0.00 C ATOM 744 CG ASP A 50 -10.937 -9.814 8.543 1.00 0.00 C ATOM 745 OD1 ASP A 50 -11.331 -10.015 9.722 1.00 0.00 O ATOM 746 OD2 ASP A 50 -9.786 -9.399 8.241 1.00 0.00 O ATOM 0 H ASP A 50 -13.522 -10.415 5.692 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.692 -9.308 8.300 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.115 -11.060 7.286 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.317 -9.741 6.453 1.00 0.00 H new ATOM 751 N MET A 51 -12.874 -7.399 5.898 1.00 0.00 N ATOM 752 CA MET A 51 -12.715 -6.065 5.409 1.00 0.00 C ATOM 753 C MET A 51 -13.936 -5.279 5.744 1.00 0.00 C ATOM 754 O MET A 51 -13.873 -4.072 5.975 1.00 0.00 O ATOM 755 CB MET A 51 -12.479 -5.949 3.893 1.00 0.00 C ATOM 756 CG MET A 51 -11.072 -6.483 3.616 1.00 0.00 C ATOM 757 SD MET A 51 -10.641 -6.633 1.856 1.00 0.00 S ATOM 758 CE MET A 51 -10.802 -4.899 1.340 1.00 0.00 C ATOM 0 H MET A 51 -12.889 -8.092 5.150 1.00 0.00 H new ATOM 0 HA MET A 51 -11.816 -5.683 5.893 1.00 0.00 H new ATOM 0 HB2 MET A 51 -13.224 -6.522 3.342 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.569 -4.913 3.567 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.348 -5.825 4.097 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.973 -7.462 4.084 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.419 -4.784 0.326 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.852 -4.607 1.367 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.232 -4.263 2.017 1.00 0.00 H new ATOM 768 N ILE A 52 -15.119 -5.916 5.800 1.00 0.00 N ATOM 769 CA ILE A 52 -16.350 -5.242 6.077 1.00 0.00 C ATOM 770 C ILE A 52 -16.442 -4.998 7.544 1.00 0.00 C ATOM 771 O ILE A 52 -16.619 -3.874 8.011 1.00 0.00 O ATOM 772 CB ILE A 52 -17.491 -6.002 5.469 1.00 0.00 C ATOM 773 CG1 ILE A 52 -17.387 -6.113 3.938 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.887 -5.568 5.948 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.722 -6.404 3.254 1.00 0.00 C ATOM 0 H ILE A 52 -15.223 -6.920 5.650 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.396 -4.258 5.611 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.380 -7.013 5.861 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -16.980 -5.183 3.541 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.680 -6.903 3.687 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.646 -6.174 5.453 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -18.960 -5.704 7.027 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -19.045 -4.518 5.703 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -18.572 -6.469 2.176 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -19.121 -7.349 3.622 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.426 -5.602 3.475 1.00 0.00 H new ATOM 787 N ASN A 53 -16.155 -6.103 8.255 1.00 0.00 N ATOM 788 CA ASN A 53 -16.440 -6.173 9.655 1.00 0.00 C ATOM 789 C ASN A 53 -15.483 -5.356 10.452 1.00 0.00 C ATOM 790 O ASN A 53 -15.781 -4.895 11.553 1.00 0.00 O ATOM 791 CB ASN A 53 -16.319 -7.638 10.107 1.00 0.00 C ATOM 792 CG ASN A 53 -17.508 -8.475 9.656 1.00 0.00 C ATOM 793 OD1 ASN A 53 -18.553 -8.050 9.165 1.00 0.00 O ATOM 794 ND2 ASN A 53 -17.402 -9.781 10.021 1.00 0.00 N ATOM 0 H ASN A 53 -15.728 -6.943 7.864 1.00 0.00 H new ATOM 0 HA ASN A 53 -17.445 -5.785 9.819 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.401 -8.067 9.705 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -16.240 -7.677 11.193 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -18.191 -10.413 9.888 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.533 -10.128 10.428 1.00 0.00 H new ATOM 801 N GLU A 54 -14.310 -5.064 9.863 1.00 0.00 N ATOM 802 CA GLU A 54 -13.413 -4.028 10.272 1.00 0.00 C ATOM 803 C GLU A 54 -13.980 -2.650 10.313 1.00 0.00 C ATOM 804 O GLU A 54 -13.903 -1.982 11.343 1.00 0.00 O ATOM 805 CB GLU A 54 -12.173 -4.072 9.363 1.00 0.00 C ATOM 806 CG GLU A 54 -11.108 -3.045 9.752 1.00 0.00 C ATOM 807 CD GLU A 54 -9.873 -3.205 8.878 1.00 0.00 C ATOM 808 OE1 GLU A 54 -10.024 -3.181 7.627 1.00 0.00 O ATOM 809 OE2 GLU A 54 -8.729 -3.244 9.405 1.00 0.00 O ATOM 0 H GLU A 54 -13.968 -5.582 9.054 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.166 -4.238 11.313 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.737 -5.070 9.401 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -12.479 -3.896 8.332 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -11.509 -2.037 9.645 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.838 -3.171 10.801 1.00 0.00 H new ATOM 816 N VAL A 55 -14.573 -2.119 9.229 1.00 0.00 N ATOM 817 CA VAL A 55 -15.169 -0.819 9.246 1.00 0.00 C ATOM 818 C VAL A 55 -16.608 -0.735 9.621 1.00 0.00 C ATOM 819 O VAL A 55 -17.268 0.301 9.556 1.00 0.00 O ATOM 820 CB VAL A 55 -14.867 -0.119 7.954 1.00 0.00 C ATOM 821 CG1 VAL A 55 -13.439 0.451 7.957 1.00 0.00 C ATOM 822 CG2 VAL A 55 -15.160 -1.052 6.767 1.00 0.00 C ATOM 0 H VAL A 55 -14.640 -2.597 8.330 1.00 0.00 H new ATOM 0 HA VAL A 55 -14.701 -0.300 10.082 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.525 0.742 7.842 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -13.246 0.953 7.009 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -13.334 1.165 8.774 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -12.724 -0.361 8.090 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -14.938 -0.534 5.834 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.539 -1.945 6.844 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -16.211 -1.339 6.781 1.00 0.00 H new ATOM 832 N ASP A 56 -17.155 -1.864 10.108 1.00 0.00 N ATOM 833 CA ASP A 56 -18.552 -2.040 10.355 1.00 0.00 C ATOM 834 C ASP A 56 -18.898 -1.670 11.756 1.00 0.00 C ATOM 835 O ASP A 56 -18.600 -2.391 12.706 1.00 0.00 O ATOM 836 CB ASP A 56 -18.932 -3.512 10.119 1.00 0.00 C ATOM 837 CG ASP A 56 -20.422 -3.819 10.085 1.00 0.00 C ATOM 838 OD1 ASP A 56 -21.069 -3.082 9.294 1.00 0.00 O ATOM 839 OD2 ASP A 56 -20.954 -4.603 10.916 1.00 0.00 O ATOM 0 H ASP A 56 -16.600 -2.688 10.339 1.00 0.00 H new ATOM 0 HA ASP A 56 -19.104 -1.391 9.674 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -18.493 -3.833 9.174 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -18.475 -4.115 10.904 1.00 0.00 H new ATOM 844 N ALA A 57 -19.468 -0.470 11.970 1.00 0.00 N ATOM 845 CA ALA A 57 -19.659 -0.032 13.317 1.00 0.00 C ATOM 846 C ALA A 57 -21.025 -0.231 13.878 1.00 0.00 C ATOM 847 O ALA A 57 -21.154 -0.356 15.094 1.00 0.00 O ATOM 848 CB ALA A 57 -19.193 1.430 13.422 1.00 0.00 C ATOM 0 H ALA A 57 -19.785 0.173 11.244 1.00 0.00 H new ATOM 0 HA ALA A 57 -19.050 -0.679 13.948 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -19.331 1.783 14.444 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -18.138 1.496 13.154 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -19.779 2.048 12.742 1.00 0.00 H new ATOM 854 N ASP A 58 -22.081 -0.178 13.047 1.00 0.00 N ATOM 855 CA ASP A 58 -23.474 -0.379 13.300 1.00 0.00 C ATOM 856 C ASP A 58 -23.776 -1.797 13.645 1.00 0.00 C ATOM 857 O ASP A 58 -24.701 -2.171 14.364 1.00 0.00 O ATOM 858 CB ASP A 58 -24.277 0.038 12.056 1.00 0.00 C ATOM 859 CG ASP A 58 -23.737 -0.473 10.728 1.00 0.00 C ATOM 860 OD1 ASP A 58 -23.146 -1.580 10.608 1.00 0.00 O ATOM 861 OD2 ASP A 58 -23.561 0.364 9.803 1.00 0.00 O ATOM 0 H ASP A 58 -21.931 0.036 12.061 1.00 0.00 H new ATOM 0 HA ASP A 58 -23.757 0.234 14.156 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -25.302 -0.314 12.171 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -24.316 1.127 12.018 1.00 0.00 H new ATOM 866 N GLY A 59 -23.093 -2.721 12.946 1.00 0.00 N ATOM 867 CA GLY A 59 -23.273 -4.125 13.151 1.00 0.00 C ATOM 868 C GLY A 59 -24.213 -4.793 12.208 1.00 0.00 C ATOM 869 O GLY A 59 -24.812 -5.825 12.507 1.00 0.00 O ATOM 0 H GLY A 59 -22.406 -2.491 12.228 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -22.301 -4.613 13.076 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -23.632 -4.283 14.168 1.00 0.00 H new ATOM 873 N ASN A 60 -24.329 -4.230 10.992 1.00 0.00 N ATOM 874 CA ASN A 60 -25.101 -4.837 9.953 1.00 0.00 C ATOM 875 C ASN A 60 -24.357 -5.850 9.153 1.00 0.00 C ATOM 876 O ASN A 60 -24.915 -6.641 8.394 1.00 0.00 O ATOM 877 CB ASN A 60 -25.790 -3.771 9.084 1.00 0.00 C ATOM 878 CG ASN A 60 -24.994 -2.707 8.342 1.00 0.00 C ATOM 879 OD1 ASN A 60 -23.791 -2.828 8.113 1.00 0.00 O ATOM 880 ND2 ASN A 60 -25.697 -1.616 7.937 1.00 0.00 N ATOM 0 H ASN A 60 -23.886 -3.350 10.728 1.00 0.00 H new ATOM 0 HA ASN A 60 -25.882 -5.415 10.448 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -26.377 -4.304 8.337 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -26.495 -3.246 9.728 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -25.228 -0.867 7.427 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -26.694 -1.546 8.143 1.00 0.00 H new ATOM 887 N GLY A 61 -23.013 -5.825 9.212 1.00 0.00 N ATOM 888 CA GLY A 61 -22.182 -6.608 8.352 1.00 0.00 C ATOM 889 C GLY A 61 -22.125 -6.044 6.974 1.00 0.00 C ATOM 890 O GLY A 61 -22.033 -6.887 6.083 1.00 0.00 O ATOM 0 H GLY A 61 -22.493 -5.247 9.872 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.175 -6.658 8.766 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -22.561 -7.629 8.311 1.00 0.00 H new ATOM 894 N THR A 62 -22.216 -4.738 6.668 1.00 0.00 N ATOM 895 CA THR A 62 -22.189 -4.156 5.361 1.00 0.00 C ATOM 896 C THR A 62 -21.402 -2.896 5.464 1.00 0.00 C ATOM 897 O THR A 62 -21.289 -2.305 6.537 1.00 0.00 O ATOM 898 CB THR A 62 -23.513 -4.029 4.667 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.241 -2.918 5.169 1.00 0.00 O ATOM 900 CG2 THR A 62 -24.395 -5.255 4.955 1.00 0.00 C ATOM 0 H THR A 62 -22.317 -4.031 7.396 1.00 0.00 H new ATOM 0 HA THR A 62 -21.698 -4.847 4.676 1.00 0.00 H new ATOM 0 HB THR A 62 -23.297 -3.923 3.604 1.00 0.00 H new ATOM 0 HG1 THR A 62 -23.994 -2.760 6.104 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.351 -5.144 4.443 1.00 0.00 H new ATOM 0 HG22 THR A 62 -23.895 -6.155 4.598 1.00 0.00 H new ATOM 0 HG23 THR A 62 -24.566 -5.336 6.028 1.00 0.00 H new ATOM 908 N ILE A 63 -20.790 -2.459 4.348 1.00 0.00 N ATOM 909 CA ILE A 63 -20.076 -1.233 4.177 1.00 0.00 C ATOM 910 C ILE A 63 -21.083 -0.198 3.809 1.00 0.00 C ATOM 911 O ILE A 63 -21.428 -0.051 2.638 1.00 0.00 O ATOM 912 CB ILE A 63 -18.886 -1.298 3.265 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.075 -2.604 3.257 1.00 0.00 C ATOM 914 CG2 ILE A 63 -17.944 -0.098 3.459 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.342 -2.773 1.927 1.00 0.00 C ATOM 0 H ILE A 63 -20.797 -3.014 3.492 1.00 0.00 H new ATOM 0 HA ILE A 63 -19.588 -0.969 5.115 1.00 0.00 H new ATOM 0 HB ILE A 63 -19.355 -1.263 2.281 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -17.356 -2.597 4.076 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -18.739 -3.452 3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -17.097 -0.187 2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -18.483 0.826 3.249 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -17.583 -0.081 4.487 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.774 -3.703 1.940 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -18.067 -2.802 1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.662 -1.934 1.777 1.00 0.00 H new ATOM 927 N ASP A 64 -21.583 0.544 4.813 1.00 0.00 N ATOM 928 CA ASP A 64 -22.328 1.759 4.701 1.00 0.00 C ATOM 929 C ASP A 64 -21.409 2.878 4.350 1.00 0.00 C ATOM 930 O ASP A 64 -20.196 2.732 4.494 1.00 0.00 O ATOM 931 CB ASP A 64 -23.082 2.188 5.971 1.00 0.00 C ATOM 932 CG ASP A 64 -23.876 1.035 6.567 1.00 0.00 C ATOM 933 OD1 ASP A 64 -23.281 -0.034 6.869 1.00 0.00 O ATOM 934 OD2 ASP A 64 -25.091 1.178 6.867 1.00 0.00 O ATOM 0 H ASP A 64 -21.454 0.268 5.786 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.073 1.552 3.932 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -22.371 2.561 6.709 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -23.756 3.011 5.734 1.00 0.00 H new ATOM 939 N PHE A 65 -21.941 4.018 3.874 1.00 0.00 N ATOM 940 CA PHE A 65 -21.211 5.179 3.470 1.00 0.00 C ATOM 941 C PHE A 65 -20.272 5.863 4.404 1.00 0.00 C ATOM 942 O PHE A 65 -19.160 6.152 3.964 1.00 0.00 O ATOM 943 CB PHE A 65 -22.096 6.108 2.622 1.00 0.00 C ATOM 944 CG PHE A 65 -21.328 7.174 1.921 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.578 6.944 0.791 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.418 8.456 2.411 1.00 0.00 C ATOM 947 CE1 PHE A 65 -20.059 8.009 0.093 1.00 0.00 C ATOM 948 CE2 PHE A 65 -20.720 9.479 1.814 1.00 0.00 C ATOM 949 CZ PHE A 65 -20.025 9.267 0.647 1.00 0.00 C ATOM 0 H PHE A 65 -22.948 4.135 3.765 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.424 4.746 2.853 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -22.634 5.512 1.884 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -22.844 6.572 3.265 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.398 5.934 0.454 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -22.041 8.660 3.270 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -19.673 7.855 -0.904 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -20.718 10.460 2.267 1.00 0.00 H new ATOM 0 HZ PHE A 65 -19.468 10.065 0.179 1.00 0.00 H new ATOM 959 N PRO A 66 -20.507 6.156 5.648 1.00 0.00 N ATOM 960 CA PRO A 66 -19.535 6.855 6.436 1.00 0.00 C ATOM 961 C PRO A 66 -18.358 6.004 6.767 1.00 0.00 C ATOM 962 O PRO A 66 -17.233 6.430 7.021 1.00 0.00 O ATOM 963 CB PRO A 66 -20.223 7.357 7.704 1.00 0.00 C ATOM 964 CG PRO A 66 -21.599 6.672 7.728 1.00 0.00 C ATOM 965 CD PRO A 66 -21.823 6.304 6.253 1.00 0.00 C ATOM 0 HA PRO A 66 -19.146 7.694 5.859 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.643 7.103 8.591 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.326 8.442 7.691 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -21.601 5.791 8.369 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.376 7.339 8.101 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.393 5.379 6.168 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.396 7.079 5.745 1.00 0.00 H new ATOM 973 N GLU A 67 -18.534 4.670 6.748 1.00 0.00 N ATOM 974 CA GLU A 67 -17.587 3.601 6.815 1.00 0.00 C ATOM 975 C GLU A 67 -16.951 3.263 5.510 1.00 0.00 C ATOM 976 O GLU A 67 -15.868 2.681 5.485 1.00 0.00 O ATOM 977 CB GLU A 67 -18.320 2.287 7.137 1.00 0.00 C ATOM 978 CG GLU A 67 -19.161 2.254 8.414 1.00 0.00 C ATOM 979 CD GLU A 67 -20.049 1.021 8.506 1.00 0.00 C ATOM 980 OE1 GLU A 67 -20.294 0.270 7.525 1.00 0.00 O ATOM 981 OE2 GLU A 67 -20.587 0.774 9.618 1.00 0.00 O ATOM 0 H GLU A 67 -19.479 4.294 6.675 1.00 0.00 H new ATOM 0 HA GLU A 67 -16.856 3.943 7.547 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -18.972 2.048 6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -17.577 1.492 7.200 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -18.499 2.285 9.280 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -19.783 3.148 8.457 1.00 0.00 H new ATOM 988 N PHE A 68 -17.550 3.666 4.375 1.00 0.00 N ATOM 989 CA PHE A 68 -16.911 3.674 3.096 1.00 0.00 C ATOM 990 C PHE A 68 -15.836 4.702 3.003 1.00 0.00 C ATOM 991 O PHE A 68 -14.722 4.367 2.602 1.00 0.00 O ATOM 992 CB PHE A 68 -17.926 3.518 1.951 1.00 0.00 C ATOM 993 CG PHE A 68 -17.122 3.435 0.700 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.811 2.192 0.202 1.00 0.00 C ATOM 995 CD2 PHE A 68 -16.905 4.521 -0.116 1.00 0.00 C ATOM 996 CE1 PHE A 68 -16.079 2.108 -0.959 1.00 0.00 C ATOM 997 CE2 PHE A 68 -16.195 4.453 -1.292 1.00 0.00 C ATOM 998 CZ PHE A 68 -15.817 3.209 -1.740 1.00 0.00 C ATOM 0 H PHE A 68 -18.514 3.998 4.347 1.00 0.00 H new ATOM 0 HA PHE A 68 -16.314 2.772 2.960 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -18.532 2.622 2.086 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.612 4.365 1.919 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -17.136 1.298 0.713 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -17.313 5.476 0.182 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.697 1.146 -1.268 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -15.943 5.346 -1.845 1.00 0.00 H new ATOM 0 HZ PHE A 68 -15.321 3.098 -2.693 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.070 5.926 3.509 1.00 0.00 N ATOM 1009 CA LEU A 69 -15.146 6.979 3.795 1.00 0.00 C ATOM 1010 C LEU A 69 -14.106 6.717 4.829 1.00 0.00 C ATOM 1011 O LEU A 69 -12.925 6.960 4.587 1.00 0.00 O ATOM 1012 CB LEU A 69 -15.812 8.312 4.178 1.00 0.00 C ATOM 1013 CG LEU A 69 -16.919 8.860 3.262 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -17.808 9.980 3.828 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -16.374 9.154 1.854 1.00 0.00 C ATOM 0 H LEU A 69 -17.022 6.207 3.744 1.00 0.00 H new ATOM 0 HA LEU A 69 -14.649 7.039 2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -16.232 8.199 5.177 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.030 9.068 4.244 1.00 0.00 H new ATOM 0 HG LEU A 69 -17.638 8.044 3.192 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -18.545 10.273 3.080 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.320 9.622 4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -17.190 10.840 4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -17.177 9.540 1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.577 9.894 1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -15.981 8.236 1.417 1.00 0.00 H new ATOM 1027 N THR A 70 -14.435 6.151 6.005 1.00 0.00 N ATOM 1028 CA THR A 70 -13.455 5.582 6.877 1.00 0.00 C ATOM 1029 C THR A 70 -12.625 4.554 6.188 1.00 0.00 C ATOM 1030 O THR A 70 -11.406 4.578 6.350 1.00 0.00 O ATOM 1031 CB THR A 70 -14.121 5.137 8.146 1.00 0.00 C ATOM 1032 OG1 THR A 70 -14.728 6.279 8.733 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.126 4.657 9.215 1.00 0.00 C ATOM 0 H THR A 70 -15.391 6.088 6.354 1.00 0.00 H new ATOM 0 HA THR A 70 -12.723 6.335 7.167 1.00 0.00 H new ATOM 0 HB THR A 70 -14.801 4.329 7.876 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.597 6.441 8.310 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.671 4.349 10.107 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.556 3.812 8.828 1.00 0.00 H new ATOM 0 HG23 THR A 70 -12.444 5.469 9.468 1.00 0.00 H new ATOM 1041 N MET A 71 -13.089 3.604 5.357 1.00 0.00 N ATOM 1042 CA MET A 71 -12.314 2.740 4.522 1.00 0.00 C ATOM 1043 C MET A 71 -11.418 3.456 3.571 1.00 0.00 C ATOM 1044 O MET A 71 -10.206 3.247 3.556 1.00 0.00 O ATOM 1045 CB MET A 71 -13.109 1.704 3.709 1.00 0.00 C ATOM 1046 CG MET A 71 -12.281 0.528 3.186 1.00 0.00 C ATOM 1047 SD MET A 71 -13.128 -0.280 1.795 1.00 0.00 S ATOM 1048 CE MET A 71 -13.974 -1.518 2.820 1.00 0.00 C ATOM 0 H MET A 71 -14.089 3.427 5.263 1.00 0.00 H new ATOM 0 HA MET A 71 -11.726 2.211 5.272 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.915 1.315 4.331 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.575 2.207 2.862 1.00 0.00 H new ATOM 0 HG2 MET A 71 -11.300 0.880 2.867 1.00 0.00 H new ATOM 0 HG3 MET A 71 -12.116 -0.193 3.987 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.452 -2.258 2.177 1.00 0.00 H new ATOM 0 HE2 MET A 71 -13.249 -2.013 3.466 1.00 0.00 H new ATOM 0 HE3 MET A 71 -14.730 -1.028 3.433 1.00 0.00 H new ATOM 1058 N MET A 72 -11.942 4.432 2.808 1.00 0.00 N ATOM 1059 CA MET A 72 -11.144 5.204 1.907 1.00 0.00 C ATOM 1060 C MET A 72 -10.099 6.109 2.464 1.00 0.00 C ATOM 1061 O MET A 72 -9.012 6.228 1.903 1.00 0.00 O ATOM 1062 CB MET A 72 -12.117 5.935 0.967 1.00 0.00 C ATOM 1063 CG MET A 72 -13.027 5.096 0.067 1.00 0.00 C ATOM 1064 SD MET A 72 -12.102 4.138 -1.171 1.00 0.00 S ATOM 1065 CE MET A 72 -12.030 2.601 -0.207 1.00 0.00 C ATOM 0 H MET A 72 -12.929 4.688 2.816 1.00 0.00 H new ATOM 0 HA MET A 72 -10.501 4.491 1.391 1.00 0.00 H new ATOM 0 HB2 MET A 72 -12.753 6.574 1.579 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.529 6.591 0.325 1.00 0.00 H new ATOM 0 HG2 MET A 72 -13.613 4.415 0.684 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.733 5.752 -0.441 1.00 0.00 H new ATOM 0 HE1 MET A 72 -11.006 2.228 -0.193 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.359 2.796 0.814 1.00 0.00 H new ATOM 0 HE3 MET A 72 -12.682 1.855 -0.662 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.380 6.740 3.619 1.00 0.00 N ATOM 1076 CA ALA A 73 -9.491 7.520 4.422 1.00 0.00 C ATOM 1077 C ALA A 73 -8.260 6.835 4.909 1.00 0.00 C ATOM 1078 O ALA A 73 -7.143 7.338 4.800 1.00 0.00 O ATOM 1079 CB ALA A 73 -10.269 8.061 5.633 1.00 0.00 C ATOM 0 H ALA A 73 -11.315 6.699 4.025 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.128 8.305 3.758 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.603 8.659 6.256 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.096 8.681 5.287 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -10.660 7.227 6.216 1.00 0.00 H new ATOM 1234 N GLU A 83 3.640 15.526 -7.530 1.00 0.00 N ATOM 1235 CA GLU A 83 4.832 15.682 -6.756 1.00 0.00 C ATOM 1236 C GLU A 83 5.122 14.472 -5.936 1.00 0.00 C ATOM 1237 O GLU A 83 6.291 14.251 -5.623 1.00 0.00 O ATOM 1238 CB GLU A 83 4.863 17.066 -6.086 1.00 0.00 C ATOM 1239 CG GLU A 83 5.315 18.230 -6.970 1.00 0.00 C ATOM 1240 CD GLU A 83 6.681 18.049 -7.616 1.00 0.00 C ATOM 1241 OE1 GLU A 83 7.718 17.910 -6.914 1.00 0.00 O ATOM 1242 OE2 GLU A 83 6.734 17.937 -8.869 1.00 0.00 O ATOM 0 HA GLU A 83 5.717 15.712 -7.392 1.00 0.00 H new ATOM 0 HB2 GLU A 83 3.864 17.288 -5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.525 17.014 -5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 83 4.574 18.380 -7.756 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.331 19.139 -6.369 1.00 0.00 H new ATOM 1249 N GLU A 84 4.129 13.653 -5.546 1.00 0.00 N ATOM 1250 CA GLU A 84 4.390 12.414 -4.882 1.00 0.00 C ATOM 1251 C GLU A 84 4.903 11.394 -5.840 1.00 0.00 C ATOM 1252 O GLU A 84 5.944 10.785 -5.600 1.00 0.00 O ATOM 1253 CB GLU A 84 3.092 11.883 -4.250 1.00 0.00 C ATOM 1254 CG GLU A 84 3.322 10.967 -3.046 1.00 0.00 C ATOM 1255 CD GLU A 84 3.626 9.543 -3.491 1.00 0.00 C ATOM 1256 OE1 GLU A 84 2.712 8.951 -4.125 1.00 0.00 O ATOM 1257 OE2 GLU A 84 4.747 9.047 -3.202 1.00 0.00 O ATOM 0 H GLU A 84 3.139 13.851 -5.692 1.00 0.00 H new ATOM 0 HA GLU A 84 5.142 12.594 -4.114 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.478 12.728 -3.940 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.527 11.339 -5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.149 11.349 -2.447 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.438 10.971 -2.408 1.00 0.00 H new ATOM 1264 N ILE A 85 4.246 11.112 -6.979 1.00 0.00 N ATOM 1265 CA ILE A 85 4.571 10.060 -7.891 1.00 0.00 C ATOM 1266 C ILE A 85 5.890 10.283 -8.549 1.00 0.00 C ATOM 1267 O ILE A 85 6.710 9.390 -8.756 1.00 0.00 O ATOM 1268 CB ILE A 85 3.450 9.551 -8.748 1.00 0.00 C ATOM 1269 CG1 ILE A 85 3.236 10.594 -9.858 1.00 0.00 C ATOM 1270 CG2 ILE A 85 2.255 9.183 -7.853 1.00 0.00 C ATOM 1271 CD1 ILE A 85 1.788 10.716 -10.331 1.00 0.00 C ATOM 0 H ILE A 85 3.436 11.654 -7.281 1.00 0.00 H new ATOM 0 HA ILE A 85 4.718 9.169 -7.280 1.00 0.00 H new ATOM 0 HB ILE A 85 3.653 8.615 -9.268 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.572 11.566 -9.497 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.864 10.336 -10.710 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.438 8.812 -8.472 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.555 8.409 -7.146 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.925 10.066 -7.306 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.723 11.472 -11.114 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.452 9.757 -10.724 1.00 0.00 H new ATOM 0 HD13 ILE A 85 1.155 11.007 -9.493 1.00 0.00 H new ATOM 1283 N ARG A 86 6.236 11.553 -8.827 1.00 0.00 N ATOM 1284 CA ARG A 86 7.482 11.983 -9.382 1.00 0.00 C ATOM 1285 C ARG A 86 8.664 11.834 -8.488 1.00 0.00 C ATOM 1286 O ARG A 86 9.704 11.427 -9.002 1.00 0.00 O ATOM 1287 CB ARG A 86 7.389 13.467 -9.774 1.00 0.00 C ATOM 1288 CG ARG A 86 8.475 13.966 -10.729 1.00 0.00 C ATOM 1289 CD ARG A 86 8.549 15.489 -10.858 1.00 0.00 C ATOM 1290 NE ARG A 86 8.780 16.140 -9.538 1.00 0.00 N ATOM 1291 CZ ARG A 86 9.926 16.105 -8.798 1.00 0.00 C ATOM 1292 NH1 ARG A 86 11.022 15.365 -9.138 1.00 0.00 N ATOM 1293 NH2 ARG A 86 9.983 16.679 -7.561 1.00 0.00 N ATOM 0 H ARG A 86 5.601 12.332 -8.652 1.00 0.00 H new ATOM 0 HA ARG A 86 7.643 11.326 -10.236 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.417 13.643 -10.234 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.425 14.068 -8.865 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.441 13.595 -10.388 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.299 13.538 -11.716 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.353 15.758 -11.543 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.622 15.864 -11.292 1.00 0.00 H new ATOM 0 HE ARG A 86 8.000 16.667 -9.146 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.012 14.798 -9.986 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.851 15.379 -8.544 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.161 17.144 -7.176 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.848 16.643 -7.022 1.00 0.00 H new ATOM 1307 N GLU A 87 8.598 12.132 -7.178 1.00 0.00 N ATOM 1308 CA GLU A 87 9.600 11.826 -6.204 1.00 0.00 C ATOM 1309 C GLU A 87 9.705 10.358 -5.973 1.00 0.00 C ATOM 1310 O GLU A 87 10.814 9.832 -5.905 1.00 0.00 O ATOM 1311 CB GLU A 87 9.458 12.630 -4.900 1.00 0.00 C ATOM 1312 CG GLU A 87 9.810 14.107 -5.082 1.00 0.00 C ATOM 1313 CD GLU A 87 9.906 14.869 -3.768 1.00 0.00 C ATOM 1314 OE1 GLU A 87 9.587 14.284 -2.699 1.00 0.00 O ATOM 1315 OE2 GLU A 87 10.208 16.089 -3.855 1.00 0.00 O ATOM 0 H GLU A 87 7.796 12.616 -6.775 1.00 0.00 H new ATOM 0 HA GLU A 87 10.550 12.153 -6.627 1.00 0.00 H new ATOM 0 HB2 GLU A 87 8.434 12.546 -4.535 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.105 12.197 -4.137 1.00 0.00 H new ATOM 0 HG2 GLU A 87 10.761 14.185 -5.609 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.056 14.578 -5.713 1.00 0.00 H new ATOM 1322 N ALA A 88 8.594 9.600 -5.953 1.00 0.00 N ATOM 1323 CA ALA A 88 8.510 8.172 -5.939 1.00 0.00 C ATOM 1324 C ALA A 88 9.067 7.405 -7.087 1.00 0.00 C ATOM 1325 O ALA A 88 9.673 6.356 -6.872 1.00 0.00 O ATOM 1326 CB ALA A 88 7.084 7.648 -5.699 1.00 0.00 C ATOM 0 H ALA A 88 7.669 10.029 -5.946 1.00 0.00 H new ATOM 0 HA ALA A 88 9.176 7.980 -5.097 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.092 6.558 -5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 88 6.722 8.007 -4.736 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.426 8.007 -6.491 1.00 0.00 H new ATOM 1332 N PHE A 89 8.983 8.010 -8.285 1.00 0.00 N ATOM 1333 CA PHE A 89 9.535 7.444 -9.477 1.00 0.00 C ATOM 1334 C PHE A 89 11.017 7.309 -9.414 1.00 0.00 C ATOM 1335 O PHE A 89 11.549 6.228 -9.660 1.00 0.00 O ATOM 1336 CB PHE A 89 9.027 8.385 -10.583 1.00 0.00 C ATOM 1337 CG PHE A 89 9.487 8.027 -11.955 1.00 0.00 C ATOM 1338 CD1 PHE A 89 9.128 6.782 -12.415 1.00 0.00 C ATOM 1339 CD2 PHE A 89 10.494 8.678 -12.627 1.00 0.00 C ATOM 1340 CE1 PHE A 89 9.593 6.247 -13.593 1.00 0.00 C ATOM 1341 CE2 PHE A 89 10.984 8.214 -13.825 1.00 0.00 C ATOM 1342 CZ PHE A 89 10.514 7.004 -14.279 1.00 0.00 C ATOM 0 H PHE A 89 8.523 8.909 -8.429 1.00 0.00 H new ATOM 0 HA PHE A 89 9.222 6.415 -9.653 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.937 8.389 -10.568 1.00 0.00 H new ATOM 0 HB3 PHE A 89 9.352 9.400 -10.357 1.00 0.00 H new ATOM 0 HD1 PHE A 89 8.445 6.194 -11.820 1.00 0.00 H new ATOM 0 HD2 PHE A 89 10.912 9.579 -12.202 1.00 0.00 H new ATOM 0 HE1 PHE A 89 9.255 5.289 -13.958 1.00 0.00 H new ATOM 0 HE2 PHE A 89 11.711 8.779 -14.389 1.00 0.00 H new ATOM 0 HZ PHE A 89 10.887 6.630 -15.221 1.00 0.00 H new ATOM 1352 N ARG A 90 11.728 8.368 -8.988 1.00 0.00 N ATOM 1353 CA ARG A 90 13.145 8.257 -8.832 1.00 0.00 C ATOM 1354 C ARG A 90 13.658 7.531 -7.635 1.00 0.00 C ATOM 1355 O ARG A 90 14.821 7.136 -7.570 1.00 0.00 O ATOM 1356 CB ARG A 90 13.861 9.615 -8.925 1.00 0.00 C ATOM 1357 CG ARG A 90 13.364 10.655 -7.919 1.00 0.00 C ATOM 1358 CD ARG A 90 14.355 11.819 -7.857 1.00 0.00 C ATOM 1359 NE ARG A 90 14.915 11.849 -6.476 1.00 0.00 N ATOM 1360 CZ ARG A 90 14.493 12.540 -5.377 1.00 0.00 C ATOM 1361 NH1 ARG A 90 13.984 13.800 -5.500 1.00 0.00 N ATOM 1362 NH2 ARG A 90 14.646 12.047 -4.113 1.00 0.00 N ATOM 0 H ARG A 90 11.334 9.280 -8.756 1.00 0.00 H new ATOM 0 HA ARG A 90 13.389 7.621 -9.683 1.00 0.00 H new ATOM 0 HB2 ARG A 90 14.929 9.461 -8.774 1.00 0.00 H new ATOM 0 HB3 ARG A 90 13.735 10.011 -9.933 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.379 11.018 -8.211 1.00 0.00 H new ATOM 0 HG3 ARG A 90 13.257 10.201 -6.934 1.00 0.00 H new ATOM 0 HD2 ARG A 90 15.150 11.687 -8.591 1.00 0.00 H new ATOM 0 HD3 ARG A 90 13.858 12.760 -8.091 1.00 0.00 H new ATOM 0 HE ARG A 90 15.738 11.265 -6.330 1.00 0.00 H new ATOM 0 HH11 ARG A 90 13.916 14.235 -6.420 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.672 14.307 -4.672 1.00 0.00 H new ATOM 0 HH21 ARG A 90 15.086 11.138 -3.970 1.00 0.00 H new ATOM 0 HH22 ARG A 90 14.320 12.588 -3.312 1.00 0.00 H new ATOM 1376 N VAL A 91 12.815 7.454 -6.591 1.00 0.00 N ATOM 1377 CA VAL A 91 12.982 6.864 -5.299 1.00 0.00 C ATOM 1378 C VAL A 91 13.038 5.385 -5.472 1.00 0.00 C ATOM 1379 O VAL A 91 13.950 4.656 -5.084 1.00 0.00 O ATOM 1380 CB VAL A 91 11.908 7.235 -4.320 1.00 0.00 C ATOM 1381 CG1 VAL A 91 11.769 6.265 -3.134 1.00 0.00 C ATOM 1382 CG2 VAL A 91 12.224 8.536 -3.564 1.00 0.00 C ATOM 0 H VAL A 91 11.885 7.866 -6.670 1.00 0.00 H new ATOM 0 HA VAL A 91 13.907 7.251 -4.872 1.00 0.00 H new ATOM 0 HB VAL A 91 11.030 7.268 -4.964 1.00 0.00 H new ATOM 0 HG11 VAL A 91 10.971 6.607 -2.476 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.531 5.268 -3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 91 12.707 6.231 -2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 91 11.415 8.758 -2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.156 8.418 -3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.326 9.355 -4.276 1.00 0.00 H new ATOM 1392 N PHE A 92 12.110 4.886 -6.309 1.00 0.00 N ATOM 1393 CA PHE A 92 12.089 3.530 -6.761 1.00 0.00 C ATOM 1394 C PHE A 92 13.153 3.178 -7.743 1.00 0.00 C ATOM 1395 O PHE A 92 13.838 2.162 -7.637 1.00 0.00 O ATOM 1396 CB PHE A 92 10.705 3.170 -7.328 1.00 0.00 C ATOM 1397 CG PHE A 92 9.531 3.207 -6.411 1.00 0.00 C ATOM 1398 CD1 PHE A 92 9.541 3.549 -5.080 1.00 0.00 C ATOM 1399 CD2 PHE A 92 8.373 2.759 -7.001 1.00 0.00 C ATOM 1400 CE1 PHE A 92 8.386 3.471 -4.337 1.00 0.00 C ATOM 1401 CE2 PHE A 92 7.181 2.727 -6.317 1.00 0.00 C ATOM 1402 CZ PHE A 92 7.230 3.150 -5.009 1.00 0.00 C ATOM 0 H PHE A 92 11.346 5.448 -6.684 1.00 0.00 H new ATOM 0 HA PHE A 92 12.302 2.934 -5.874 1.00 0.00 H new ATOM 0 HB2 PHE A 92 10.500 3.847 -8.157 1.00 0.00 H new ATOM 0 HB3 PHE A 92 10.769 2.165 -7.745 1.00 0.00 H new ATOM 0 HD1 PHE A 92 10.458 3.880 -4.616 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.400 2.424 -8.027 1.00 0.00 H new ATOM 0 HE1 PHE A 92 8.387 3.654 -3.273 1.00 0.00 H new ATOM 0 HE2 PHE A 92 6.264 2.391 -6.778 1.00 0.00 H new ATOM 0 HZ PHE A 92 6.296 3.236 -4.473 1.00 0.00 H new ATOM 1412 N ASP A 93 13.475 4.000 -8.757 1.00 0.00 N ATOM 1413 CA ASP A 93 14.571 3.929 -9.672 1.00 0.00 C ATOM 1414 C ASP A 93 15.897 3.960 -8.993 1.00 0.00 C ATOM 1415 O ASP A 93 16.443 4.963 -8.535 1.00 0.00 O ATOM 1416 CB ASP A 93 14.521 5.099 -10.669 1.00 0.00 C ATOM 1417 CG ASP A 93 15.393 4.951 -11.908 1.00 0.00 C ATOM 1418 OD1 ASP A 93 15.989 3.855 -12.083 1.00 0.00 O ATOM 1419 OD2 ASP A 93 15.554 5.936 -12.676 1.00 0.00 O ATOM 0 H ASP A 93 12.892 4.813 -8.956 1.00 0.00 H new ATOM 0 HA ASP A 93 14.467 2.974 -10.186 1.00 0.00 H new ATOM 0 HB2 ASP A 93 13.488 5.235 -10.989 1.00 0.00 H new ATOM 0 HB3 ASP A 93 14.816 6.009 -10.147 1.00 0.00 H new ATOM 1424 N LYS A 94 16.537 2.778 -8.973 1.00 0.00 N ATOM 1425 CA LYS A 94 17.618 2.372 -8.129 1.00 0.00 C ATOM 1426 C LYS A 94 18.850 3.044 -8.629 1.00 0.00 C ATOM 1427 O LYS A 94 19.482 3.737 -7.833 1.00 0.00 O ATOM 1428 CB LYS A 94 17.678 0.839 -8.232 1.00 0.00 C ATOM 1429 CG LYS A 94 18.701 0.172 -7.312 1.00 0.00 C ATOM 1430 CD LYS A 94 18.233 0.322 -5.863 1.00 0.00 C ATOM 1431 CE LYS A 94 19.162 -0.388 -4.876 1.00 0.00 C ATOM 1432 NZ LYS A 94 18.654 -0.087 -3.519 1.00 0.00 N ATOM 0 H LYS A 94 16.268 2.032 -9.614 1.00 0.00 H new ATOM 0 HA LYS A 94 17.502 2.649 -7.081 1.00 0.00 H new ATOM 0 HB2 LYS A 94 16.691 0.435 -8.007 1.00 0.00 H new ATOM 0 HB3 LYS A 94 17.906 0.567 -9.263 1.00 0.00 H new ATOM 0 HG2 LYS A 94 18.807 -0.882 -7.567 1.00 0.00 H new ATOM 0 HG3 LYS A 94 19.681 0.631 -7.442 1.00 0.00 H new ATOM 0 HD2 LYS A 94 18.178 1.381 -5.609 1.00 0.00 H new ATOM 0 HD3 LYS A 94 17.225 -0.082 -5.765 1.00 0.00 H new ATOM 0 HE2 LYS A 94 19.169 -1.463 -5.057 1.00 0.00 H new ATOM 0 HE3 LYS A 94 20.188 -0.039 -4.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 19.258 -0.552 -2.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 18.667 0.941 -3.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 17.680 -0.439 -3.427 1.00 0.00 H new ATOM 1446 N ASP A 95 19.303 2.795 -9.871 1.00 0.00 N ATOM 1447 CA ASP A 95 20.494 3.162 -10.573 1.00 0.00 C ATOM 1448 C ASP A 95 20.556 4.579 -11.029 1.00 0.00 C ATOM 1449 O ASP A 95 21.636 5.060 -11.370 1.00 0.00 O ATOM 1450 CB ASP A 95 20.567 2.181 -11.755 1.00 0.00 C ATOM 1451 CG ASP A 95 19.288 2.131 -12.579 1.00 0.00 C ATOM 1452 OD1 ASP A 95 18.771 3.194 -13.014 1.00 0.00 O ATOM 1453 OD2 ASP A 95 18.853 0.995 -12.909 1.00 0.00 O ATOM 0 H ASP A 95 18.718 2.231 -10.488 1.00 0.00 H new ATOM 0 HA ASP A 95 21.350 3.097 -9.901 1.00 0.00 H new ATOM 0 HB2 ASP A 95 21.397 2.465 -12.402 1.00 0.00 H new ATOM 0 HB3 ASP A 95 20.786 1.183 -11.376 1.00 0.00 H new ATOM 1458 N GLY A 96 19.375 5.222 -11.044 1.00 0.00 N ATOM 1459 CA GLY A 96 19.049 6.557 -11.439 1.00 0.00 C ATOM 1460 C GLY A 96 19.088 6.796 -12.909 1.00 0.00 C ATOM 1461 O GLY A 96 19.589 7.877 -13.217 1.00 0.00 O ATOM 0 H GLY A 96 18.535 4.732 -10.735 1.00 0.00 H new ATOM 0 HA2 GLY A 96 18.051 6.797 -11.071 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.742 7.245 -10.954 1.00 0.00 H new ATOM 1465 N ASN A 97 18.726 5.882 -13.827 1.00 0.00 N ATOM 1466 CA ASN A 97 18.768 6.065 -15.245 1.00 0.00 C ATOM 1467 C ASN A 97 17.583 6.767 -15.812 1.00 0.00 C ATOM 1468 O ASN A 97 17.674 7.304 -16.915 1.00 0.00 O ATOM 1469 CB ASN A 97 19.140 4.810 -16.053 1.00 0.00 C ATOM 1470 CG ASN A 97 18.048 3.752 -16.115 1.00 0.00 C ATOM 1471 OD1 ASN A 97 17.167 3.602 -15.269 1.00 0.00 O ATOM 1472 ND2 ASN A 97 18.085 2.937 -17.203 1.00 0.00 N ATOM 0 H ASN A 97 18.383 4.959 -13.562 1.00 0.00 H new ATOM 0 HA ASN A 97 19.609 6.747 -15.368 1.00 0.00 H new ATOM 0 HB2 ASN A 97 19.395 5.110 -17.069 1.00 0.00 H new ATOM 0 HB3 ASN A 97 20.035 4.365 -15.618 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.384 2.205 -17.316 1.00 0.00 H new ATOM 0 HD22 ASN A 97 18.814 3.058 -17.906 1.00 0.00 H new ATOM 1479 N GLY A 98 16.431 6.795 -15.117 1.00 0.00 N ATOM 1480 CA GLY A 98 15.284 7.576 -15.460 1.00 0.00 C ATOM 1481 C GLY A 98 14.142 6.691 -15.824 1.00 0.00 C ATOM 1482 O GLY A 98 13.109 7.173 -16.285 1.00 0.00 O ATOM 0 H GLY A 98 16.294 6.243 -14.271 1.00 0.00 H new ATOM 0 HA2 GLY A 98 15.005 8.213 -14.620 1.00 0.00 H new ATOM 0 HA3 GLY A 98 15.522 8.235 -16.295 1.00 0.00 H new ATOM 1486 N TYR A 99 14.343 5.366 -15.705 1.00 0.00 N ATOM 1487 CA TYR A 99 13.551 4.301 -16.238 1.00 0.00 C ATOM 1488 C TYR A 99 13.432 3.215 -15.225 1.00 0.00 C ATOM 1489 O TYR A 99 14.516 2.730 -14.908 1.00 0.00 O ATOM 1490 CB TYR A 99 14.224 3.786 -17.521 1.00 0.00 C ATOM 1491 CG TYR A 99 14.201 4.859 -18.555 1.00 0.00 C ATOM 1492 CD1 TYR A 99 13.033 5.239 -19.173 1.00 0.00 C ATOM 1493 CD2 TYR A 99 15.353 5.552 -18.840 1.00 0.00 C ATOM 1494 CE1 TYR A 99 13.022 6.331 -20.008 1.00 0.00 C ATOM 1495 CE2 TYR A 99 15.320 6.645 -19.675 1.00 0.00 C ATOM 1496 CZ TYR A 99 14.150 7.080 -20.250 1.00 0.00 C ATOM 1497 OH TYR A 99 14.292 8.273 -20.990 1.00 0.00 O ATOM 0 H TYR A 99 15.142 5.007 -15.182 1.00 0.00 H new ATOM 0 HA TYR A 99 12.548 4.652 -16.478 1.00 0.00 H new ATOM 0 HB2 TYR A 99 15.252 3.489 -17.312 1.00 0.00 H new ATOM 0 HB3 TYR A 99 13.704 2.901 -17.888 1.00 0.00 H new ATOM 0 HD1 TYR A 99 12.125 4.680 -19.003 1.00 0.00 H new ATOM 0 HD2 TYR A 99 16.290 5.237 -18.406 1.00 0.00 H new ATOM 0 HE1 TYR A 99 12.097 6.610 -20.490 1.00 0.00 H new ATOM 0 HE2 TYR A 99 16.238 7.175 -19.884 1.00 0.00 H new ATOM 0 HH TYR A 99 15.229 8.559 -20.973 1.00 0.00 H new ATOM 1507 N ILE A 100 12.282 2.785 -14.676 1.00 0.00 N ATOM 1508 CA ILE A 100 12.222 1.620 -13.848 1.00 0.00 C ATOM 1509 C ILE A 100 12.127 0.412 -14.716 1.00 0.00 C ATOM 1510 O ILE A 100 11.097 0.257 -15.368 1.00 0.00 O ATOM 1511 CB ILE A 100 11.048 1.711 -12.918 1.00 0.00 C ATOM 1512 CG1 ILE A 100 11.101 3.069 -12.200 1.00 0.00 C ATOM 1513 CG2 ILE A 100 11.370 0.596 -11.909 1.00 0.00 C ATOM 1514 CD1 ILE A 100 10.036 3.183 -11.110 1.00 0.00 C ATOM 0 H ILE A 100 11.384 3.250 -14.808 1.00 0.00 H new ATOM 0 HA ILE A 100 13.124 1.548 -13.241 1.00 0.00 H new ATOM 0 HB ILE A 100 10.073 1.618 -13.396 1.00 0.00 H new ATOM 0 HG12 ILE A 100 12.088 3.207 -11.758 1.00 0.00 H new ATOM 0 HG13 ILE A 100 10.962 3.869 -12.927 1.00 0.00 H new ATOM 0 HG21 ILE A 100 10.582 0.547 -11.157 1.00 0.00 H new ATOM 0 HG22 ILE A 100 11.434 -0.359 -12.430 1.00 0.00 H new ATOM 0 HG23 ILE A 100 12.322 0.809 -11.423 1.00 0.00 H new ATOM 0 HD11 ILE A 100 10.110 4.158 -10.629 1.00 0.00 H new ATOM 0 HD12 ILE A 100 9.047 3.072 -11.555 1.00 0.00 H new ATOM 0 HD13 ILE A 100 10.190 2.400 -10.368 1.00 0.00 H new ATOM 1526 N SER A 101 13.148 -0.461 -14.649 1.00 0.00 N ATOM 1527 CA SER A 101 12.922 -1.688 -15.348 1.00 0.00 C ATOM 1528 C SER A 101 12.043 -2.662 -14.643 1.00 0.00 C ATOM 1529 O SER A 101 11.794 -2.511 -13.448 1.00 0.00 O ATOM 1530 CB SER A 101 14.237 -2.426 -15.648 1.00 0.00 C ATOM 1531 OG SER A 101 15.029 -2.641 -14.490 1.00 0.00 O ATOM 0 H SER A 101 14.039 -0.343 -14.167 1.00 0.00 H new ATOM 0 HA SER A 101 12.420 -1.360 -16.258 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.011 -3.387 -16.110 1.00 0.00 H new ATOM 0 HB3 SER A 101 14.813 -1.851 -16.373 1.00 0.00 H new ATOM 0 HG SER A 101 15.251 -1.779 -14.081 1.00 0.00 H new ATOM 1537 N ALA A 102 11.456 -3.654 -15.336 1.00 0.00 N ATOM 1538 CA ALA A 102 10.679 -4.663 -14.685 1.00 0.00 C ATOM 1539 C ALA A 102 11.292 -5.509 -13.624 1.00 0.00 C ATOM 1540 O ALA A 102 10.628 -6.163 -12.820 1.00 0.00 O ATOM 1541 CB ALA A 102 10.152 -5.549 -15.826 1.00 0.00 C ATOM 0 H ALA A 102 11.520 -3.758 -16.349 1.00 0.00 H new ATOM 0 HA ALA A 102 9.934 -4.129 -14.095 1.00 0.00 H new ATOM 0 HB1 ALA A 102 9.543 -6.352 -15.411 1.00 0.00 H new ATOM 0 HB2 ALA A 102 9.547 -4.947 -16.504 1.00 0.00 H new ATOM 0 HB3 ALA A 102 10.993 -5.976 -16.373 1.00 0.00 H new ATOM 1547 N ALA A 103 12.632 -5.528 -13.501 1.00 0.00 N ATOM 1548 CA ALA A 103 13.322 -6.031 -12.354 1.00 0.00 C ATOM 1549 C ALA A 103 13.299 -5.203 -11.115 1.00 0.00 C ATOM 1550 O ALA A 103 13.049 -5.606 -9.980 1.00 0.00 O ATOM 1551 CB ALA A 103 14.791 -6.286 -12.729 1.00 0.00 C ATOM 0 H ALA A 103 13.258 -5.180 -14.228 1.00 0.00 H new ATOM 0 HA ALA A 103 12.766 -6.932 -12.093 1.00 0.00 H new ATOM 0 HB1 ALA A 103 15.327 -6.670 -11.861 1.00 0.00 H new ATOM 0 HB2 ALA A 103 14.839 -7.016 -13.537 1.00 0.00 H new ATOM 0 HB3 ALA A 103 15.250 -5.353 -13.055 1.00 0.00 H new ATOM 1557 N GLU A 104 13.621 -3.908 -11.278 1.00 0.00 N ATOM 1558 CA GLU A 104 13.445 -2.947 -10.234 1.00 0.00 C ATOM 1559 C GLU A 104 12.045 -2.781 -9.750 1.00 0.00 C ATOM 1560 O GLU A 104 11.734 -2.728 -8.562 1.00 0.00 O ATOM 1561 CB GLU A 104 13.951 -1.589 -10.750 1.00 0.00 C ATOM 1562 CG GLU A 104 15.410 -1.521 -11.204 1.00 0.00 C ATOM 1563 CD GLU A 104 15.701 -0.181 -11.865 1.00 0.00 C ATOM 1564 OE1 GLU A 104 15.285 0.061 -13.029 1.00 0.00 O ATOM 1565 OE2 GLU A 104 16.419 0.682 -11.292 1.00 0.00 O ATOM 0 H GLU A 104 14.007 -3.524 -12.141 1.00 0.00 H new ATOM 0 HA GLU A 104 14.008 -3.319 -9.378 1.00 0.00 H new ATOM 0 HB2 GLU A 104 13.321 -1.288 -11.587 1.00 0.00 H new ATOM 0 HB3 GLU A 104 13.807 -0.851 -9.961 1.00 0.00 H new ATOM 0 HG2 GLU A 104 16.070 -1.662 -10.348 1.00 0.00 H new ATOM 0 HG3 GLU A 104 15.617 -2.331 -11.903 1.00 0.00 H new ATOM 1572 N LEU A 105 11.051 -2.926 -10.645 1.00 0.00 N ATOM 1573 CA LEU A 105 9.680 -2.879 -10.243 1.00 0.00 C ATOM 1574 C LEU A 105 9.292 -4.048 -9.405 1.00 0.00 C ATOM 1575 O LEU A 105 8.473 -3.992 -8.488 1.00 0.00 O ATOM 1576 CB LEU A 105 8.689 -2.914 -11.419 1.00 0.00 C ATOM 1577 CG LEU A 105 8.750 -1.711 -12.376 1.00 0.00 C ATOM 1578 CD1 LEU A 105 8.036 -1.903 -13.725 1.00 0.00 C ATOM 1579 CD2 LEU A 105 8.161 -0.436 -11.751 1.00 0.00 C ATOM 0 H LEU A 105 11.196 -3.075 -11.644 1.00 0.00 H new ATOM 0 HA LEU A 105 9.619 -1.936 -9.701 1.00 0.00 H new ATOM 0 HB2 LEU A 105 8.868 -3.822 -11.994 1.00 0.00 H new ATOM 0 HB3 LEU A 105 7.678 -2.985 -11.017 1.00 0.00 H new ATOM 0 HG LEU A 105 9.820 -1.618 -12.559 1.00 0.00 H new ATOM 0 HD11 LEU A 105 8.139 -0.998 -14.323 1.00 0.00 H new ATOM 0 HD12 LEU A 105 8.483 -2.743 -14.257 1.00 0.00 H new ATOM 0 HD13 LEU A 105 6.979 -2.105 -13.552 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.228 0.384 -12.466 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.116 -0.607 -11.491 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.721 -0.180 -10.852 1.00 0.00 H new ATOM 1591 N ARG A 106 9.810 -5.245 -9.734 1.00 0.00 N ATOM 1592 CA ARG A 106 9.502 -6.436 -9.005 1.00 0.00 C ATOM 1593 C ARG A 106 10.031 -6.357 -7.614 1.00 0.00 C ATOM 1594 O ARG A 106 9.305 -6.545 -6.639 1.00 0.00 O ATOM 1595 CB ARG A 106 9.923 -7.645 -9.857 1.00 0.00 C ATOM 1596 CG ARG A 106 9.735 -9.012 -9.196 1.00 0.00 C ATOM 1597 CD ARG A 106 10.437 -10.147 -9.943 1.00 0.00 C ATOM 1598 NE ARG A 106 9.392 -11.202 -10.068 1.00 0.00 N ATOM 1599 CZ ARG A 106 8.449 -11.339 -11.045 1.00 0.00 C ATOM 1600 NH1 ARG A 106 8.327 -10.560 -12.160 1.00 0.00 N ATOM 1601 NH2 ARG A 106 7.596 -12.384 -10.835 1.00 0.00 N ATOM 0 H ARG A 106 10.450 -5.388 -10.515 1.00 0.00 H new ATOM 0 HA ARG A 106 8.432 -6.562 -8.840 1.00 0.00 H new ATOM 0 HB2 ARG A 106 9.354 -7.629 -10.786 1.00 0.00 H new ATOM 0 HB3 ARG A 106 10.974 -7.531 -10.124 1.00 0.00 H new ATOM 0 HG2 ARG A 106 10.114 -8.969 -8.175 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.670 -9.233 -9.131 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.793 -9.821 -10.920 1.00 0.00 H new ATOM 0 HD3 ARG A 106 11.305 -10.509 -9.392 1.00 0.00 H new ATOM 0 HE ARG A 106 9.380 -11.909 -9.333 1.00 0.00 H new ATOM 0 HH11 ARG A 106 8.979 -9.792 -12.320 1.00 0.00 H new ATOM 0 HH12 ARG A 106 7.584 -10.746 -12.833 1.00 0.00 H new ATOM 0 HH21 ARG A 106 7.703 -12.971 -10.008 1.00 0.00 H new ATOM 0 HH22 ARG A 106 6.852 -12.577 -11.505 1.00 0.00 H new ATOM 1615 N HIS A 107 11.337 -6.052 -7.515 1.00 0.00 N ATOM 1616 CA HIS A 107 12.060 -5.853 -6.298 1.00 0.00 C ATOM 1617 C HIS A 107 11.566 -4.699 -5.495 1.00 0.00 C ATOM 1618 O HIS A 107 11.460 -4.938 -4.293 1.00 0.00 O ATOM 1619 CB HIS A 107 13.543 -5.668 -6.662 1.00 0.00 C ATOM 1620 CG HIS A 107 14.457 -5.672 -5.473 1.00 0.00 C ATOM 1621 ND1 HIS A 107 14.792 -6.828 -4.798 1.00 0.00 N ATOM 1622 CD2 HIS A 107 15.325 -4.729 -5.018 1.00 0.00 C ATOM 1623 CE1 HIS A 107 15.842 -6.521 -3.991 1.00 0.00 C ATOM 1624 NE2 HIS A 107 16.223 -5.263 -4.117 1.00 0.00 N ATOM 0 H HIS A 107 11.926 -5.937 -8.340 1.00 0.00 H new ATOM 0 HA HIS A 107 11.913 -6.727 -5.663 1.00 0.00 H new ATOM 0 HB2 HIS A 107 13.843 -6.464 -7.344 1.00 0.00 H new ATOM 0 HB3 HIS A 107 13.662 -4.727 -7.199 1.00 0.00 H new ATOM 0 HD2 HIS A 107 15.313 -3.693 -5.323 1.00 0.00 H new ATOM 0 HE1 HIS A 107 16.312 -7.227 -3.322 1.00 0.00 H new ATOM 0 HE2 HIS A 107 17.002 -4.794 -3.655 1.00 0.00 H new ATOM 1632 N VAL A 108 11.290 -3.501 -6.040 1.00 0.00 N ATOM 1633 CA VAL A 108 10.950 -2.384 -5.214 1.00 0.00 C ATOM 1634 C VAL A 108 9.612 -2.579 -4.588 1.00 0.00 C ATOM 1635 O VAL A 108 9.460 -2.384 -3.383 1.00 0.00 O ATOM 1636 CB VAL A 108 11.142 -1.016 -5.798 1.00 0.00 C ATOM 1637 CG1 VAL A 108 10.809 0.154 -4.856 1.00 0.00 C ATOM 1638 CG2 VAL A 108 12.612 -0.758 -6.169 1.00 0.00 C ATOM 0 H VAL A 108 11.302 -3.306 -7.041 1.00 0.00 H new ATOM 0 HA VAL A 108 11.710 -2.384 -4.433 1.00 0.00 H new ATOM 0 HB VAL A 108 10.459 -1.034 -6.647 1.00 0.00 H new ATOM 0 HG11 VAL A 108 10.981 1.098 -5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 108 9.764 0.091 -4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 108 11.446 0.103 -3.973 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.711 0.243 -6.589 1.00 0.00 H new ATOM 0 HG22 VAL A 108 13.232 -0.840 -5.277 1.00 0.00 H new ATOM 0 HG23 VAL A 108 12.936 -1.494 -6.905 1.00 0.00 H new ATOM 1648 N MET A 109 8.618 -2.916 -5.429 1.00 0.00 N ATOM 1649 CA MET A 109 7.229 -3.020 -5.104 1.00 0.00 C ATOM 1650 C MET A 109 7.001 -4.319 -4.412 1.00 0.00 C ATOM 1651 O MET A 109 5.946 -4.410 -3.786 1.00 0.00 O ATOM 1652 CB MET A 109 6.299 -2.821 -6.313 1.00 0.00 C ATOM 1653 CG MET A 109 6.443 -1.489 -7.053 1.00 0.00 C ATOM 1654 SD MET A 109 5.057 -1.266 -8.207 1.00 0.00 S ATOM 1655 CE MET A 109 5.961 0.150 -8.897 1.00 0.00 C ATOM 0 H MET A 109 8.800 -3.132 -6.409 1.00 0.00 H new ATOM 0 HA MET A 109 6.968 -2.201 -4.434 1.00 0.00 H new ATOM 0 HB2 MET A 109 6.478 -3.630 -7.022 1.00 0.00 H new ATOM 0 HB3 MET A 109 5.268 -2.917 -5.974 1.00 0.00 H new ATOM 0 HG2 MET A 109 6.467 -0.667 -6.338 1.00 0.00 H new ATOM 0 HG3 MET A 109 7.387 -1.466 -7.597 1.00 0.00 H new ATOM 0 HE1 MET A 109 5.685 0.283 -9.943 1.00 0.00 H new ATOM 0 HE2 MET A 109 5.708 1.051 -8.338 1.00 0.00 H new ATOM 0 HE3 MET A 109 7.033 -0.033 -8.825 1.00 0.00 H new ATOM 1665 N THR A 110 7.806 -5.396 -4.404 1.00 0.00 N ATOM 1666 CA THR A 110 7.752 -6.495 -3.491 1.00 0.00 C ATOM 1667 C THR A 110 8.310 -6.109 -2.164 1.00 0.00 C ATOM 1668 O THR A 110 7.693 -6.343 -1.126 1.00 0.00 O ATOM 1669 CB THR A 110 8.468 -7.731 -3.946 1.00 0.00 C ATOM 1670 OG1 THR A 110 7.909 -8.168 -5.176 1.00 0.00 O ATOM 1671 CG2 THR A 110 8.269 -8.861 -2.921 1.00 0.00 C ATOM 0 H THR A 110 8.553 -5.506 -5.090 1.00 0.00 H new ATOM 0 HA THR A 110 6.691 -6.737 -3.429 1.00 0.00 H new ATOM 0 HB THR A 110 9.528 -7.500 -4.056 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.533 -7.975 -5.906 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.792 -9.755 -3.259 1.00 0.00 H new ATOM 0 HG22 THR A 110 8.668 -8.551 -1.955 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.206 -9.079 -2.821 1.00 0.00 H new ATOM 1679 N ASN A 111 9.498 -5.477 -2.131 1.00 0.00 N ATOM 1680 CA ASN A 111 10.188 -5.238 -0.902 1.00 0.00 C ATOM 1681 C ASN A 111 9.620 -4.119 -0.099 1.00 0.00 C ATOM 1682 O ASN A 111 10.001 -3.878 1.046 1.00 0.00 O ATOM 1683 CB ASN A 111 11.695 -5.033 -1.130 1.00 0.00 C ATOM 1684 CG ASN A 111 12.392 -6.357 -1.408 1.00 0.00 C ATOM 1685 OD1 ASN A 111 11.842 -7.457 -1.418 1.00 0.00 O ATOM 1686 ND2 ASN A 111 13.744 -6.313 -1.541 1.00 0.00 N ATOM 0 H ASN A 111 9.982 -5.131 -2.960 1.00 0.00 H new ATOM 0 HA ASN A 111 10.042 -6.142 -0.311 1.00 0.00 H new ATOM 0 HB2 ASN A 111 11.850 -4.354 -1.968 1.00 0.00 H new ATOM 0 HB3 ASN A 111 12.138 -4.562 -0.252 1.00 0.00 H new ATOM 0 HD21 ASN A 111 14.275 -7.178 -1.645 1.00 0.00 H new ATOM 0 HD22 ASN A 111 14.228 -5.415 -1.536 1.00 0.00 H new ATOM 1693 N LEU A 112 8.704 -3.287 -0.625 1.00 0.00 N ATOM 1694 CA LEU A 112 8.097 -2.119 -0.065 1.00 0.00 C ATOM 1695 C LEU A 112 7.502 -2.245 1.295 1.00 0.00 C ATOM 1696 O LEU A 112 7.956 -1.577 2.223 1.00 0.00 O ATOM 1697 CB LEU A 112 7.230 -1.371 -1.091 1.00 0.00 C ATOM 1698 CG LEU A 112 7.123 0.163 -1.058 1.00 0.00 C ATOM 1699 CD1 LEU A 112 6.639 0.801 -2.371 1.00 0.00 C ATOM 1700 CD2 LEU A 112 6.082 0.634 -0.028 1.00 0.00 C ATOM 0 H LEU A 112 8.346 -3.459 -1.564 1.00 0.00 H new ATOM 0 HA LEU A 112 8.942 -1.469 0.164 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.595 -1.646 -2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 112 6.218 -1.765 -1.004 1.00 0.00 H new ATOM 0 HG LEU A 112 8.144 0.469 -0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.594 1.884 -2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 112 7.332 0.551 -3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.647 0.421 -2.616 1.00 0.00 H new ATOM 0 HD21 LEU A 112 6.033 1.723 -0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 112 5.105 0.226 -0.286 1.00 0.00 H new ATOM 0 HD23 LEU A 112 6.370 0.287 0.965 1.00 0.00 H new ATOM 1712 N GLY A 113 6.534 -3.160 1.480 1.00 0.00 N ATOM 1713 CA GLY A 113 5.743 -3.178 2.671 1.00 0.00 C ATOM 1714 C GLY A 113 4.796 -4.329 2.676 1.00 0.00 C ATOM 1715 O GLY A 113 4.863 -5.187 3.554 1.00 0.00 O ATOM 0 H GLY A 113 6.299 -3.888 0.805 1.00 0.00 H new ATOM 0 HA2 GLY A 113 6.395 -3.237 3.542 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.185 -2.245 2.754 1.00 0.00 H new ATOM 1719 N GLU A 114 3.793 -4.356 1.780 1.00 0.00 N ATOM 1720 CA GLU A 114 2.724 -5.300 1.677 1.00 0.00 C ATOM 1721 C GLU A 114 3.103 -6.618 1.095 1.00 0.00 C ATOM 1722 O GLU A 114 4.079 -6.734 0.355 1.00 0.00 O ATOM 1723 CB GLU A 114 1.458 -4.692 1.051 1.00 0.00 C ATOM 1724 CG GLU A 114 1.122 -3.304 1.599 1.00 0.00 C ATOM 1725 CD GLU A 114 -0.345 -3.123 1.960 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -1.247 -3.350 1.110 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -0.619 -2.834 3.155 1.00 0.00 O ATOM 0 H GLU A 114 3.727 -3.642 1.055 1.00 0.00 H new ATOM 0 HA GLU A 114 2.470 -5.543 2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 114 1.590 -4.627 -0.029 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.615 -5.360 1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 114 1.730 -3.117 2.484 1.00 0.00 H new ATOM 0 HG3 GLU A 114 1.399 -2.554 0.858 1.00 0.00 H new ATOM 1734 N LYS A 115 2.315 -7.658 1.420 1.00 0.00 N ATOM 1735 CA LYS A 115 2.632 -8.914 0.813 1.00 0.00 C ATOM 1736 C LYS A 115 1.904 -9.336 -0.417 1.00 0.00 C ATOM 1737 O LYS A 115 0.692 -9.538 -0.359 1.00 0.00 O ATOM 1738 CB LYS A 115 2.233 -10.058 1.760 1.00 0.00 C ATOM 1739 CG LYS A 115 3.107 -9.985 3.013 1.00 0.00 C ATOM 1740 CD LYS A 115 3.180 -11.294 3.800 1.00 0.00 C ATOM 1741 CE LYS A 115 3.759 -11.132 5.207 1.00 0.00 C ATOM 1742 NZ LYS A 115 5.087 -10.483 5.123 1.00 0.00 N ATOM 0 H LYS A 115 1.516 -7.641 2.054 1.00 0.00 H new ATOM 0 HA LYS A 115 3.684 -8.752 0.580 1.00 0.00 H new ATOM 0 HB2 LYS A 115 1.180 -9.976 2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 115 2.362 -11.021 1.265 1.00 0.00 H new ATOM 0 HG2 LYS A 115 4.116 -9.691 2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 115 2.722 -9.202 3.666 1.00 0.00 H new ATOM 0 HD2 LYS A 115 2.179 -11.719 3.875 1.00 0.00 H new ATOM 0 HD3 LYS A 115 3.789 -12.008 3.246 1.00 0.00 H new ATOM 0 HE2 LYS A 115 3.087 -10.532 5.821 1.00 0.00 H new ATOM 0 HE3 LYS A 115 3.848 -12.105 5.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 5.574 -10.570 6.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 5.653 -10.946 4.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 4.967 -9.477 4.889 1.00 0.00 H new ATOM 1756 N LEU A 116 2.638 -9.452 -1.538 1.00 0.00 N ATOM 1757 CA LEU A 116 2.216 -9.621 -2.894 1.00 0.00 C ATOM 1758 C LEU A 116 3.024 -10.750 -3.433 1.00 0.00 C ATOM 1759 O LEU A 116 4.224 -10.773 -3.161 1.00 0.00 O ATOM 1760 CB LEU A 116 2.535 -8.328 -3.664 1.00 0.00 C ATOM 1761 CG LEU A 116 1.741 -7.104 -3.178 1.00 0.00 C ATOM 1762 CD1 LEU A 116 2.654 -5.867 -3.134 1.00 0.00 C ATOM 1763 CD2 LEU A 116 0.694 -6.770 -4.254 1.00 0.00 C ATOM 0 H LEU A 116 3.656 -9.423 -1.481 1.00 0.00 H new ATOM 0 HA LEU A 116 1.149 -9.826 -2.981 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.601 -8.117 -3.575 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.329 -8.486 -4.723 1.00 0.00 H new ATOM 0 HG LEU A 116 1.316 -7.327 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.083 -5.005 -2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.483 -6.051 -2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 116 3.044 -5.667 -4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.112 -5.904 -3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.197 -6.546 -5.195 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.029 -7.623 -4.392 1.00 0.00 H new ATOM 1775 N THR A 117 2.461 -11.562 -4.346 1.00 0.00 N ATOM 1776 CA THR A 117 3.196 -12.664 -4.885 1.00 0.00 C ATOM 1777 C THR A 117 3.702 -12.290 -6.236 1.00 0.00 C ATOM 1778 O THR A 117 3.354 -11.199 -6.684 1.00 0.00 O ATOM 1779 CB THR A 117 2.333 -13.881 -5.037 1.00 0.00 C ATOM 1780 OG1 THR A 117 1.225 -13.632 -5.890 1.00 0.00 O ATOM 1781 CG2 THR A 117 1.939 -14.366 -3.632 1.00 0.00 C ATOM 0 H THR A 117 1.512 -11.459 -4.706 1.00 0.00 H new ATOM 0 HA THR A 117 4.012 -12.892 -4.199 1.00 0.00 H new ATOM 0 HB THR A 117 2.883 -14.682 -5.531 1.00 0.00 H new ATOM 0 HG1 THR A 117 0.684 -14.445 -5.969 1.00 0.00 H new ATOM 0 HG21 THR A 117 1.310 -15.252 -3.716 1.00 0.00 H new ATOM 0 HG22 THR A 117 2.838 -14.612 -3.067 1.00 0.00 H new ATOM 0 HG23 THR A 117 1.390 -13.579 -3.116 1.00 0.00 H new ATOM 1789 N ASP A 118 4.600 -13.163 -6.727 1.00 0.00 N ATOM 1790 CA ASP A 118 5.165 -12.993 -8.030 1.00 0.00 C ATOM 1791 C ASP A 118 4.150 -12.982 -9.120 1.00 0.00 C ATOM 1792 O ASP A 118 4.301 -12.235 -10.086 1.00 0.00 O ATOM 1793 CB ASP A 118 6.067 -14.224 -8.219 1.00 0.00 C ATOM 1794 CG ASP A 118 7.460 -13.971 -7.660 1.00 0.00 C ATOM 1795 OD1 ASP A 118 8.116 -12.982 -8.084 1.00 0.00 O ATOM 1796 OD2 ASP A 118 7.923 -14.755 -6.789 1.00 0.00 O ATOM 0 H ASP A 118 4.934 -13.985 -6.223 1.00 0.00 H new ATOM 0 HA ASP A 118 5.680 -12.034 -8.089 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.622 -15.085 -7.720 1.00 0.00 H new ATOM 0 HB3 ASP A 118 6.136 -14.470 -9.279 1.00 0.00 H new ATOM 1801 N GLU A 119 3.060 -13.755 -8.975 1.00 0.00 N ATOM 1802 CA GLU A 119 1.860 -13.760 -9.754 1.00 0.00 C ATOM 1803 C GLU A 119 1.153 -12.465 -9.962 1.00 0.00 C ATOM 1804 O GLU A 119 0.790 -12.093 -11.077 1.00 0.00 O ATOM 1805 CB GLU A 119 0.846 -14.784 -9.220 1.00 0.00 C ATOM 1806 CG GLU A 119 1.200 -16.235 -9.555 1.00 0.00 C ATOM 1807 CD GLU A 119 2.243 -16.778 -8.589 1.00 0.00 C ATOM 1808 OE1 GLU A 119 2.208 -16.504 -7.359 1.00 0.00 O ATOM 1809 OE2 GLU A 119 3.115 -17.537 -9.090 1.00 0.00 O ATOM 0 H GLU A 119 3.017 -14.451 -8.231 1.00 0.00 H new ATOM 0 HA GLU A 119 2.246 -14.030 -10.737 1.00 0.00 H new ATOM 0 HB2 GLU A 119 0.772 -14.678 -8.138 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.138 -14.556 -9.630 1.00 0.00 H new ATOM 0 HG2 GLU A 119 0.302 -16.852 -9.511 1.00 0.00 H new ATOM 0 HG3 GLU A 119 1.578 -16.295 -10.576 1.00 0.00 H new ATOM 1816 N GLU A 120 0.907 -11.829 -8.803 1.00 0.00 N ATOM 1817 CA GLU A 120 0.395 -10.498 -8.704 1.00 0.00 C ATOM 1818 C GLU A 120 1.223 -9.438 -9.344 1.00 0.00 C ATOM 1819 O GLU A 120 0.707 -8.623 -10.107 1.00 0.00 O ATOM 1820 CB GLU A 120 0.123 -10.160 -7.228 1.00 0.00 C ATOM 1821 CG GLU A 120 -1.004 -9.176 -6.910 1.00 0.00 C ATOM 1822 CD GLU A 120 -2.390 -9.480 -7.461 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -2.981 -10.507 -7.034 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -2.979 -8.711 -8.267 1.00 0.00 O ATOM 0 H GLU A 120 1.072 -12.262 -7.894 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.529 -10.498 -9.281 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -0.092 -11.093 -6.706 1.00 0.00 H new ATOM 0 HB3 GLU A 120 1.044 -9.761 -6.802 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -1.085 -9.098 -5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -0.705 -8.195 -7.278 1.00 0.00 H new ATOM 1831 N VAL A 121 2.553 -9.534 -9.169 1.00 0.00 N ATOM 1832 CA VAL A 121 3.541 -8.607 -9.627 1.00 0.00 C ATOM 1833 C VAL A 121 3.662 -8.711 -11.108 1.00 0.00 C ATOM 1834 O VAL A 121 3.794 -7.649 -11.715 1.00 0.00 O ATOM 1835 CB VAL A 121 4.866 -8.840 -8.964 1.00 0.00 C ATOM 1836 CG1 VAL A 121 6.028 -8.132 -9.680 1.00 0.00 C ATOM 1837 CG2 VAL A 121 4.680 -8.349 -7.518 1.00 0.00 C ATOM 0 H VAL A 121 2.968 -10.320 -8.669 1.00 0.00 H new ATOM 0 HA VAL A 121 3.225 -7.599 -9.359 1.00 0.00 H new ATOM 0 HB VAL A 121 5.146 -9.893 -9.000 1.00 0.00 H new ATOM 0 HG11 VAL A 121 6.960 -8.338 -9.153 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.101 -8.498 -10.704 1.00 0.00 H new ATOM 0 HG13 VAL A 121 5.848 -7.057 -9.691 1.00 0.00 H new ATOM 0 HG21 VAL A 121 5.609 -8.486 -6.965 1.00 0.00 H new ATOM 0 HG22 VAL A 121 4.414 -7.292 -7.524 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.885 -8.921 -7.039 1.00 0.00 H new ATOM 1847 N ASP A 122 3.534 -9.889 -11.743 1.00 0.00 N ATOM 1848 CA ASP A 122 3.558 -10.087 -13.159 1.00 0.00 C ATOM 1849 C ASP A 122 2.340 -9.564 -13.840 1.00 0.00 C ATOM 1850 O ASP A 122 2.410 -8.875 -14.856 1.00 0.00 O ATOM 1851 CB ASP A 122 3.856 -11.542 -13.557 1.00 0.00 C ATOM 1852 CG ASP A 122 5.303 -11.952 -13.322 1.00 0.00 C ATOM 1853 OD1 ASP A 122 6.259 -11.201 -13.652 1.00 0.00 O ATOM 1854 OD2 ASP A 122 5.590 -13.104 -12.899 1.00 0.00 O ATOM 0 H ASP A 122 3.405 -10.762 -11.232 1.00 0.00 H new ATOM 0 HA ASP A 122 4.396 -9.489 -13.518 1.00 0.00 H new ATOM 0 HB2 ASP A 122 3.202 -12.206 -12.992 1.00 0.00 H new ATOM 0 HB3 ASP A 122 3.615 -11.679 -14.611 1.00 0.00 H new ATOM 1859 N GLU A 123 1.136 -9.787 -13.283 1.00 0.00 N ATOM 1860 CA GLU A 123 -0.124 -9.195 -13.611 1.00 0.00 C ATOM 1861 C GLU A 123 -0.081 -7.706 -13.580 1.00 0.00 C ATOM 1862 O GLU A 123 -0.642 -6.922 -14.344 1.00 0.00 O ATOM 1863 CB GLU A 123 -1.183 -9.846 -12.706 1.00 0.00 C ATOM 1864 CG GLU A 123 -2.498 -10.021 -13.470 1.00 0.00 C ATOM 1865 CD GLU A 123 -3.625 -10.736 -12.739 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -3.453 -11.320 -11.637 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -4.781 -10.732 -13.243 1.00 0.00 O ATOM 0 H GLU A 123 1.038 -10.456 -12.519 1.00 0.00 H new ATOM 0 HA GLU A 123 -0.397 -9.395 -14.647 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -0.826 -10.814 -12.355 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -1.347 -9.228 -11.823 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -2.855 -9.034 -13.763 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -2.287 -10.569 -14.388 1.00 0.00 H new ATOM 1874 N MET A 124 0.674 -7.172 -12.603 1.00 0.00 N ATOM 1875 CA MET A 124 0.828 -5.766 -12.394 1.00 0.00 C ATOM 1876 C MET A 124 1.751 -5.196 -13.415 1.00 0.00 C ATOM 1877 O MET A 124 1.434 -4.188 -14.045 1.00 0.00 O ATOM 1878 CB MET A 124 1.314 -5.565 -10.948 1.00 0.00 C ATOM 1879 CG MET A 124 1.599 -4.117 -10.543 1.00 0.00 C ATOM 1880 SD MET A 124 2.472 -4.013 -8.952 1.00 0.00 S ATOM 1881 CE MET A 124 1.038 -4.617 -8.015 1.00 0.00 C ATOM 0 H MET A 124 1.196 -7.740 -11.935 1.00 0.00 H new ATOM 0 HA MET A 124 -0.114 -5.231 -12.517 1.00 0.00 H new ATOM 0 HB2 MET A 124 0.563 -5.972 -10.271 1.00 0.00 H new ATOM 0 HB3 MET A 124 2.223 -6.150 -10.804 1.00 0.00 H new ATOM 0 HG2 MET A 124 2.197 -3.635 -11.317 1.00 0.00 H new ATOM 0 HG3 MET A 124 0.660 -3.567 -10.478 1.00 0.00 H new ATOM 0 HE1 MET A 124 1.080 -4.231 -6.997 1.00 0.00 H new ATOM 0 HE2 MET A 124 0.120 -4.277 -8.495 1.00 0.00 H new ATOM 0 HE3 MET A 124 1.052 -5.707 -7.991 1.00 0.00 H new ATOM 1891 N ILE A 125 2.939 -5.789 -13.627 1.00 0.00 N ATOM 1892 CA ILE A 125 3.957 -5.364 -14.538 1.00 0.00 C ATOM 1893 C ILE A 125 3.375 -5.382 -15.910 1.00 0.00 C ATOM 1894 O ILE A 125 3.710 -4.561 -16.763 1.00 0.00 O ATOM 1895 CB ILE A 125 5.172 -6.237 -14.435 1.00 0.00 C ATOM 1896 CG1 ILE A 125 5.969 -5.931 -13.156 1.00 0.00 C ATOM 1897 CG2 ILE A 125 6.200 -6.144 -15.575 1.00 0.00 C ATOM 1898 CD1 ILE A 125 7.086 -6.935 -12.878 1.00 0.00 C ATOM 0 H ILE A 125 3.208 -6.633 -13.121 1.00 0.00 H new ATOM 0 HA ILE A 125 4.288 -4.354 -14.294 1.00 0.00 H new ATOM 0 HB ILE A 125 4.727 -7.232 -14.461 1.00 0.00 H new ATOM 0 HG12 ILE A 125 6.400 -4.933 -13.236 1.00 0.00 H new ATOM 0 HG13 ILE A 125 5.286 -5.916 -12.307 1.00 0.00 H new ATOM 0 HG21 ILE A 125 7.027 -6.826 -15.376 1.00 0.00 H new ATOM 0 HG22 ILE A 125 5.724 -6.416 -16.517 1.00 0.00 H new ATOM 0 HG23 ILE A 125 6.579 -5.124 -15.641 1.00 0.00 H new ATOM 0 HD11 ILE A 125 7.605 -6.657 -11.961 1.00 0.00 H new ATOM 0 HD12 ILE A 125 6.660 -7.932 -12.765 1.00 0.00 H new ATOM 0 HD13 ILE A 125 7.791 -6.934 -13.709 1.00 0.00 H new ATOM 1910 N ARG A 126 2.482 -6.326 -16.256 1.00 0.00 N ATOM 1911 CA ARG A 126 1.808 -6.388 -17.515 1.00 0.00 C ATOM 1912 C ARG A 126 0.974 -5.191 -17.820 1.00 0.00 C ATOM 1913 O ARG A 126 0.891 -4.628 -18.910 1.00 0.00 O ATOM 1914 CB ARG A 126 0.848 -7.589 -17.558 1.00 0.00 C ATOM 1915 CG ARG A 126 0.436 -8.103 -18.939 1.00 0.00 C ATOM 1916 CD ARG A 126 -0.562 -9.262 -18.956 1.00 0.00 C ATOM 1917 NE ARG A 126 -1.839 -8.757 -18.376 1.00 0.00 N ATOM 1918 CZ ARG A 126 -2.828 -9.664 -18.129 1.00 0.00 C ATOM 1919 NH1 ARG A 126 -2.831 -10.910 -18.688 1.00 0.00 N ATOM 1920 NH2 ARG A 126 -3.837 -9.235 -17.316 1.00 0.00 N ATOM 0 H ARG A 126 2.217 -7.083 -15.626 1.00 0.00 H new ATOM 0 HA ARG A 126 2.612 -6.462 -18.247 1.00 0.00 H new ATOM 0 HB2 ARG A 126 1.312 -8.413 -17.015 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -0.057 -7.318 -17.014 1.00 0.00 H new ATOM 0 HG2 ARG A 126 0.007 -7.273 -19.500 1.00 0.00 H new ATOM 0 HG3 ARG A 126 1.335 -8.416 -19.470 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -0.717 -9.620 -19.974 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -0.183 -10.104 -18.376 1.00 0.00 H new ATOM 0 HE ARG A 126 -1.969 -7.766 -18.171 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -2.076 -11.190 -19.314 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -3.588 -11.561 -18.479 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -3.818 -8.289 -16.936 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -4.610 -9.861 -17.089 1.00 0.00 H new ATOM 1934 N GLU A 127 0.380 -4.586 -16.776 1.00 0.00 N ATOM 1935 CA GLU A 127 -0.458 -3.435 -16.914 1.00 0.00 C ATOM 1936 C GLU A 127 0.354 -2.187 -16.850 1.00 0.00 C ATOM 1937 O GLU A 127 -0.024 -1.151 -17.396 1.00 0.00 O ATOM 1938 CB GLU A 127 -1.569 -3.383 -15.852 1.00 0.00 C ATOM 1939 CG GLU A 127 -2.808 -2.665 -16.392 1.00 0.00 C ATOM 1940 CD GLU A 127 -3.957 -2.537 -15.402 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -3.757 -1.929 -14.318 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -5.095 -2.960 -15.740 1.00 0.00 O ATOM 0 H GLU A 127 0.485 -4.904 -15.813 1.00 0.00 H new ATOM 0 HA GLU A 127 -0.938 -3.513 -17.890 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -1.834 -4.395 -15.548 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -1.204 -2.868 -14.963 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -2.517 -1.667 -16.720 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -3.164 -3.199 -17.273 1.00 0.00 H new ATOM 1949 N ALA A 128 1.543 -2.224 -16.224 1.00 0.00 N ATOM 1950 CA ALA A 128 2.307 -1.031 -16.030 1.00 0.00 C ATOM 1951 C ALA A 128 3.066 -0.567 -17.225 1.00 0.00 C ATOM 1952 O ALA A 128 2.975 0.610 -17.572 1.00 0.00 O ATOM 1953 CB ALA A 128 3.305 -1.433 -14.931 1.00 0.00 C ATOM 0 H ALA A 128 1.973 -3.072 -15.855 1.00 0.00 H new ATOM 0 HA ALA A 128 1.645 -0.198 -15.793 1.00 0.00 H new ATOM 0 HB1 ALA A 128 3.950 -0.586 -14.698 1.00 0.00 H new ATOM 0 HB2 ALA A 128 2.760 -1.731 -14.036 1.00 0.00 H new ATOM 0 HB3 ALA A 128 3.913 -2.267 -15.280 1.00 0.00 H new ATOM 1959 N ASP A 129 3.729 -1.471 -17.968 1.00 0.00 N ATOM 1960 CA ASP A 129 4.485 -1.109 -19.127 1.00 0.00 C ATOM 1961 C ASP A 129 3.583 -1.008 -20.308 1.00 0.00 C ATOM 1962 O ASP A 129 2.935 -1.966 -20.728 1.00 0.00 O ATOM 1963 CB ASP A 129 5.667 -2.063 -19.373 1.00 0.00 C ATOM 1964 CG ASP A 129 6.617 -1.688 -20.501 1.00 0.00 C ATOM 1965 OD1 ASP A 129 6.449 -0.634 -21.170 1.00 0.00 O ATOM 1966 OD2 ASP A 129 7.502 -2.552 -20.745 1.00 0.00 O ATOM 0 H ASP A 129 3.741 -2.470 -17.761 1.00 0.00 H new ATOM 0 HA ASP A 129 4.930 -0.129 -18.954 1.00 0.00 H new ATOM 0 HB2 ASP A 129 6.244 -2.137 -18.451 1.00 0.00 H new ATOM 0 HB3 ASP A 129 5.267 -3.056 -19.579 1.00 0.00 H new ATOM 1971 N ILE A 130 3.443 0.221 -20.836 1.00 0.00 N ATOM 1972 CA ILE A 130 2.525 0.385 -21.920 1.00 0.00 C ATOM 1973 C ILE A 130 3.020 -0.131 -23.228 1.00 0.00 C ATOM 1974 O ILE A 130 2.324 -0.697 -24.069 1.00 0.00 O ATOM 1975 CB ILE A 130 1.922 1.758 -21.931 1.00 0.00 C ATOM 1976 CG1 ILE A 130 0.446 1.724 -22.362 1.00 0.00 C ATOM 1977 CG2 ILE A 130 2.624 2.674 -22.948 1.00 0.00 C ATOM 1978 CD1 ILE A 130 -0.265 3.075 -22.420 1.00 0.00 C ATOM 0 H ILE A 130 3.936 1.061 -20.533 1.00 0.00 H new ATOM 0 HA ILE A 130 1.684 -0.283 -21.734 1.00 0.00 H new ATOM 0 HB ILE A 130 2.032 2.131 -20.913 1.00 0.00 H new ATOM 0 HG12 ILE A 130 0.386 1.261 -23.347 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -0.099 1.078 -21.673 1.00 0.00 H new ATOM 0 HG21 ILE A 130 2.161 3.661 -22.929 1.00 0.00 H new ATOM 0 HG22 ILE A 130 3.679 2.763 -22.690 1.00 0.00 H new ATOM 0 HG23 ILE A 130 2.530 2.248 -23.947 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -1.298 2.929 -22.735 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -0.248 3.538 -21.433 1.00 0.00 H new ATOM 0 HD13 ILE A 130 0.244 3.724 -23.133 1.00 0.00 H new ATOM 1990 N ASP A 131 4.337 0.026 -23.454 1.00 0.00 N ATOM 1991 CA ASP A 131 4.996 -0.492 -24.613 1.00 0.00 C ATOM 1992 C ASP A 131 5.165 -1.972 -24.643 1.00 0.00 C ATOM 1993 O ASP A 131 4.992 -2.632 -25.666 1.00 0.00 O ATOM 1994 CB ASP A 131 6.352 0.229 -24.693 1.00 0.00 C ATOM 1995 CG ASP A 131 6.262 1.723 -24.420 1.00 0.00 C ATOM 1996 OD1 ASP A 131 5.450 2.461 -25.041 1.00 0.00 O ATOM 1997 OD2 ASP A 131 7.043 2.190 -23.548 1.00 0.00 O ATOM 0 H ASP A 131 4.958 0.524 -22.817 1.00 0.00 H new ATOM 0 HA ASP A 131 4.367 -0.301 -25.482 1.00 0.00 H new ATOM 0 HB2 ASP A 131 7.038 -0.223 -23.976 1.00 0.00 H new ATOM 0 HB3 ASP A 131 6.779 0.074 -25.684 1.00 0.00 H new ATOM 2002 N GLY A 132 5.504 -2.594 -23.500 1.00 0.00 N ATOM 2003 CA GLY A 132 5.896 -3.968 -23.442 1.00 0.00 C ATOM 2004 C GLY A 132 7.357 -4.058 -23.723 1.00 0.00 C ATOM 2005 O GLY A 132 7.842 -5.175 -23.894 1.00 0.00 O ATOM 0 H GLY A 132 5.506 -2.129 -22.592 1.00 0.00 H new ATOM 0 HA2 GLY A 132 5.673 -4.384 -22.459 1.00 0.00 H new ATOM 0 HA3 GLY A 132 5.334 -4.553 -24.170 1.00 0.00 H new ATOM 2009 N ASP A 133 8.055 -2.918 -23.573 1.00 0.00 N ATOM 2010 CA ASP A 133 9.406 -2.786 -24.025 1.00 0.00 C ATOM 2011 C ASP A 133 10.412 -3.240 -23.024 1.00 0.00 C ATOM 2012 O ASP A 133 11.408 -3.853 -23.406 1.00 0.00 O ATOM 2013 CB ASP A 133 9.745 -1.335 -24.404 1.00 0.00 C ATOM 2014 CG ASP A 133 9.711 -0.111 -23.499 1.00 0.00 C ATOM 2015 OD1 ASP A 133 9.232 -0.328 -22.354 1.00 0.00 O ATOM 2016 OD2 ASP A 133 10.138 1.006 -23.894 1.00 0.00 O ATOM 0 H ASP A 133 7.678 -2.078 -23.133 1.00 0.00 H new ATOM 0 HA ASP A 133 9.463 -3.432 -24.901 1.00 0.00 H new ATOM 0 HB2 ASP A 133 10.760 -1.371 -24.800 1.00 0.00 H new ATOM 0 HB3 ASP A 133 9.086 -1.094 -25.238 1.00 0.00 H new ATOM 2021 N GLY A 134 10.015 -3.186 -21.740 1.00 0.00 N ATOM 2022 CA GLY A 134 10.900 -3.536 -20.672 1.00 0.00 C ATOM 2023 C GLY A 134 10.760 -2.676 -19.463 1.00 0.00 C ATOM 2024 O GLY A 134 10.795 -3.211 -18.356 1.00 0.00 O ATOM 0 H GLY A 134 9.082 -2.900 -21.441 1.00 0.00 H new ATOM 0 HA2 GLY A 134 10.720 -4.574 -20.390 1.00 0.00 H new ATOM 0 HA3 GLY A 134 11.928 -3.476 -21.031 1.00 0.00 H new ATOM 2028 N GLN A 135 10.589 -1.356 -19.653 1.00 0.00 N ATOM 2029 CA GLN A 135 10.897 -0.455 -18.586 1.00 0.00 C ATOM 2030 C GLN A 135 9.775 0.515 -18.440 1.00 0.00 C ATOM 2031 O GLN A 135 9.062 0.751 -19.414 1.00 0.00 O ATOM 2032 CB GLN A 135 12.229 0.284 -18.797 1.00 0.00 C ATOM 2033 CG GLN A 135 12.336 1.206 -20.014 1.00 0.00 C ATOM 2034 CD GLN A 135 13.766 1.662 -20.263 1.00 0.00 C ATOM 2035 OE1 GLN A 135 14.734 1.390 -19.555 1.00 0.00 O ATOM 2036 NE2 GLN A 135 13.924 2.585 -21.250 1.00 0.00 N ATOM 0 H GLN A 135 10.250 -0.923 -20.512 1.00 0.00 H new ATOM 0 HA GLN A 135 11.016 -1.038 -17.673 1.00 0.00 H new ATOM 0 HB2 GLN A 135 12.430 0.878 -17.905 1.00 0.00 H new ATOM 0 HB3 GLN A 135 13.021 -0.462 -18.868 1.00 0.00 H new ATOM 0 HG2 GLN A 135 11.963 0.686 -20.896 1.00 0.00 H new ATOM 0 HG3 GLN A 135 11.699 2.078 -19.865 1.00 0.00 H new ATOM 0 HE21 GLN A 135 13.137 2.829 -21.851 1.00 0.00 H new ATOM 0 HE22 GLN A 135 14.830 3.033 -21.389 1.00 0.00 H new ATOM 2045 N VAL A 136 9.533 1.127 -17.267 1.00 0.00 N ATOM 2046 CA VAL A 136 8.497 2.062 -16.952 1.00 0.00 C ATOM 2047 C VAL A 136 9.089 3.423 -16.827 1.00 0.00 C ATOM 2048 O VAL A 136 10.015 3.611 -16.039 1.00 0.00 O ATOM 2049 CB VAL A 136 7.814 1.542 -15.723 1.00 0.00 C ATOM 2050 CG1 VAL A 136 7.191 2.739 -14.986 1.00 0.00 C ATOM 2051 CG2 VAL A 136 6.720 0.540 -16.130 1.00 0.00 C ATOM 0 H VAL A 136 10.126 0.946 -16.457 1.00 0.00 H new ATOM 0 HA VAL A 136 7.739 2.161 -17.730 1.00 0.00 H new ATOM 0 HB VAL A 136 8.525 1.032 -15.072 1.00 0.00 H new ATOM 0 HG11 VAL A 136 6.686 2.389 -14.086 1.00 0.00 H new ATOM 0 HG12 VAL A 136 7.975 3.445 -14.712 1.00 0.00 H new ATOM 0 HG13 VAL A 136 6.470 3.232 -15.638 1.00 0.00 H new ATOM 0 HG21 VAL A 136 6.223 0.161 -15.237 1.00 0.00 H new ATOM 0 HG22 VAL A 136 5.990 1.038 -16.768 1.00 0.00 H new ATOM 0 HG23 VAL A 136 7.171 -0.290 -16.674 1.00 0.00 H new ATOM 2061 N ASN A 137 8.636 4.383 -17.653 1.00 0.00 N ATOM 2062 CA ASN A 137 8.957 5.776 -17.661 1.00 0.00 C ATOM 2063 C ASN A 137 8.058 6.555 -16.765 1.00 0.00 C ATOM 2064 O ASN A 137 6.979 6.102 -16.386 1.00 0.00 O ATOM 2065 CB ASN A 137 9.192 6.360 -19.065 1.00 0.00 C ATOM 2066 CG ASN A 137 7.965 6.855 -19.816 1.00 0.00 C ATOM 2067 OD1 ASN A 137 7.588 8.015 -19.654 1.00 0.00 O ATOM 2068 ND2 ASN A 137 7.341 5.975 -20.643 1.00 0.00 N ATOM 0 H ASN A 137 7.973 4.155 -18.394 1.00 0.00 H new ATOM 0 HA ASN A 137 9.946 5.881 -17.214 1.00 0.00 H new ATOM 0 HB2 ASN A 137 9.893 7.190 -18.975 1.00 0.00 H new ATOM 0 HB3 ASN A 137 9.678 5.597 -19.673 1.00 0.00 H new ATOM 0 HD21 ASN A 137 6.516 6.265 -21.168 1.00 0.00 H new ATOM 0 HD22 ASN A 137 7.698 5.024 -20.739 1.00 0.00 H new ATOM 2075 N TYR A 138 8.332 7.863 -16.618 1.00 0.00 N ATOM 2076 CA TYR A 138 7.531 8.809 -15.903 1.00 0.00 C ATOM 2077 C TYR A 138 6.069 8.824 -16.188 1.00 0.00 C ATOM 2078 O TYR A 138 5.185 8.687 -15.343 1.00 0.00 O ATOM 2079 CB TYR A 138 8.321 10.126 -15.828 1.00 0.00 C ATOM 2080 CG TYR A 138 7.552 11.189 -15.122 1.00 0.00 C ATOM 2081 CD1 TYR A 138 7.214 11.028 -13.799 1.00 0.00 C ATOM 2082 CD2 TYR A 138 6.947 12.172 -15.868 1.00 0.00 C ATOM 2083 CE1 TYR A 138 6.383 11.912 -13.150 1.00 0.00 C ATOM 2084 CE2 TYR A 138 6.067 13.049 -15.280 1.00 0.00 C ATOM 2085 CZ TYR A 138 5.888 12.937 -13.921 1.00 0.00 C ATOM 2086 OH TYR A 138 5.041 13.919 -13.366 1.00 0.00 O ATOM 0 H TYR A 138 9.166 8.287 -17.024 1.00 0.00 H new ATOM 0 HA TYR A 138 7.384 8.480 -14.874 1.00 0.00 H new ATOM 0 HB2 TYR A 138 9.265 9.955 -15.311 1.00 0.00 H new ATOM 0 HB3 TYR A 138 8.566 10.462 -16.836 1.00 0.00 H new ATOM 0 HD1 TYR A 138 7.612 10.185 -13.254 1.00 0.00 H new ATOM 0 HD2 TYR A 138 7.164 12.256 -16.923 1.00 0.00 H new ATOM 0 HE1 TYR A 138 6.136 11.808 -12.104 1.00 0.00 H new ATOM 0 HE2 TYR A 138 5.540 13.793 -15.859 1.00 0.00 H new ATOM 0 HH TYR A 138 4.790 14.565 -14.059 1.00 0.00 H new ATOM 2096 N GLU A 139 5.737 8.973 -17.482 1.00 0.00 N ATOM 2097 CA GLU A 139 4.376 8.961 -17.922 1.00 0.00 C ATOM 2098 C GLU A 139 3.723 7.646 -17.666 1.00 0.00 C ATOM 2099 O GLU A 139 2.564 7.658 -17.254 1.00 0.00 O ATOM 2100 CB GLU A 139 4.481 9.078 -19.452 1.00 0.00 C ATOM 2101 CG GLU A 139 3.093 9.184 -20.087 1.00 0.00 C ATOM 2102 CD GLU A 139 3.156 9.640 -21.537 1.00 0.00 C ATOM 2103 OE1 GLU A 139 3.365 8.798 -22.451 1.00 0.00 O ATOM 2104 OE2 GLU A 139 2.942 10.853 -21.801 1.00 0.00 O ATOM 0 H GLU A 139 6.418 9.103 -18.230 1.00 0.00 H new ATOM 0 HA GLU A 139 3.807 9.742 -17.418 1.00 0.00 H new ATOM 0 HB2 GLU A 139 5.073 9.955 -19.714 1.00 0.00 H new ATOM 0 HB3 GLU A 139 5.003 8.209 -19.852 1.00 0.00 H new ATOM 0 HG2 GLU A 139 2.597 8.215 -20.034 1.00 0.00 H new ATOM 0 HG3 GLU A 139 2.486 9.885 -19.514 1.00 0.00 H new ATOM 2111 N GLU A 140 4.451 6.518 -17.743 1.00 0.00 N ATOM 2112 CA GLU A 140 3.985 5.196 -17.459 1.00 0.00 C ATOM 2113 C GLU A 140 3.721 5.017 -16.004 1.00 0.00 C ATOM 2114 O GLU A 140 2.794 4.380 -15.507 1.00 0.00 O ATOM 2115 CB GLU A 140 4.909 4.110 -18.036 1.00 0.00 C ATOM 2116 CG GLU A 140 4.922 4.167 -19.565 1.00 0.00 C ATOM 2117 CD GLU A 140 5.861 3.068 -20.042 1.00 0.00 C ATOM 2118 OE1 GLU A 140 7.096 3.312 -19.991 1.00 0.00 O ATOM 2119 OE2 GLU A 140 5.429 2.088 -20.705 1.00 0.00 O ATOM 0 H GLU A 140 5.432 6.531 -18.023 1.00 0.00 H new ATOM 0 HA GLU A 140 3.031 5.071 -17.972 1.00 0.00 H new ATOM 0 HB2 GLU A 140 5.921 4.246 -17.654 1.00 0.00 H new ATOM 0 HB3 GLU A 140 4.573 3.127 -17.707 1.00 0.00 H new ATOM 0 HG2 GLU A 140 3.919 4.018 -19.965 1.00 0.00 H new ATOM 0 HG3 GLU A 140 5.262 5.143 -19.912 1.00 0.00 H new ATOM 2126 N PHE A 141 4.604 5.542 -15.135 1.00 0.00 N ATOM 2127 CA PHE A 141 4.450 5.562 -13.714 1.00 0.00 C ATOM 2128 C PHE A 141 3.262 6.352 -13.285 1.00 0.00 C ATOM 2129 O PHE A 141 2.497 5.920 -12.424 1.00 0.00 O ATOM 2130 CB PHE A 141 5.693 6.010 -12.927 1.00 0.00 C ATOM 2131 CG PHE A 141 5.523 5.762 -11.467 1.00 0.00 C ATOM 2132 CD1 PHE A 141 5.588 4.439 -11.097 1.00 0.00 C ATOM 2133 CD2 PHE A 141 5.526 6.726 -10.487 1.00 0.00 C ATOM 2134 CE1 PHE A 141 5.503 4.049 -9.781 1.00 0.00 C ATOM 2135 CE2 PHE A 141 5.569 6.322 -9.174 1.00 0.00 C ATOM 2136 CZ PHE A 141 5.508 5.003 -8.791 1.00 0.00 C ATOM 0 H PHE A 141 5.474 5.977 -15.443 1.00 0.00 H new ATOM 0 HA PHE A 141 4.296 4.513 -13.461 1.00 0.00 H new ATOM 0 HB2 PHE A 141 6.570 5.474 -13.290 1.00 0.00 H new ATOM 0 HB3 PHE A 141 5.874 7.071 -13.100 1.00 0.00 H new ATOM 0 HD1 PHE A 141 5.709 3.685 -11.861 1.00 0.00 H new ATOM 0 HD2 PHE A 141 5.495 7.775 -10.742 1.00 0.00 H new ATOM 0 HE1 PHE A 141 5.433 3.002 -9.527 1.00 0.00 H new ATOM 0 HE2 PHE A 141 5.655 7.077 -8.406 1.00 0.00 H new ATOM 0 HZ PHE A 141 5.465 4.726 -7.748 1.00 0.00 H new ATOM 2146 N VAL A 142 2.963 7.498 -13.922 1.00 0.00 N ATOM 2147 CA VAL A 142 1.871 8.369 -13.618 1.00 0.00 C ATOM 2148 C VAL A 142 0.584 7.647 -13.827 1.00 0.00 C ATOM 2149 O VAL A 142 -0.263 7.458 -12.955 1.00 0.00 O ATOM 2150 CB VAL A 142 1.853 9.621 -14.443 1.00 0.00 C ATOM 2151 CG1 VAL A 142 0.532 10.405 -14.363 1.00 0.00 C ATOM 2152 CG2 VAL A 142 3.043 10.493 -14.008 1.00 0.00 C ATOM 0 H VAL A 142 3.524 7.838 -14.703 1.00 0.00 H new ATOM 0 HA VAL A 142 2.000 8.667 -12.577 1.00 0.00 H new ATOM 0 HB VAL A 142 1.940 9.335 -15.491 1.00 0.00 H new ATOM 0 HG11 VAL A 142 0.600 11.296 -14.987 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -0.286 9.777 -14.715 1.00 0.00 H new ATOM 0 HG13 VAL A 142 0.345 10.699 -13.330 1.00 0.00 H new ATOM 0 HG21 VAL A 142 3.054 11.412 -14.594 1.00 0.00 H new ATOM 0 HG22 VAL A 142 2.947 10.738 -12.950 1.00 0.00 H new ATOM 0 HG23 VAL A 142 3.973 9.948 -14.172 1.00 0.00 H new ATOM 2162 N GLN A 143 0.346 7.112 -15.037 1.00 0.00 N ATOM 2163 CA GLN A 143 -0.866 6.416 -15.340 1.00 0.00 C ATOM 2164 C GLN A 143 -1.027 5.128 -14.608 1.00 0.00 C ATOM 2165 O GLN A 143 -2.145 4.694 -14.333 1.00 0.00 O ATOM 2166 CB GLN A 143 -1.048 6.306 -16.863 1.00 0.00 C ATOM 2167 CG GLN A 143 -0.737 7.515 -17.747 1.00 0.00 C ATOM 2168 CD GLN A 143 -1.473 7.496 -19.079 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -2.306 8.393 -19.203 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -1.193 6.611 -20.073 1.00 0.00 N ATOM 0 H GLN A 143 1.003 7.163 -15.816 1.00 0.00 H new ATOM 0 HA GLN A 143 -1.693 7.014 -14.957 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -0.426 5.480 -17.208 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -2.084 6.023 -17.049 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -0.999 8.426 -17.209 1.00 0.00 H new ATOM 0 HG3 GLN A 143 0.336 7.552 -17.934 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -0.494 5.883 -19.926 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -1.682 6.675 -20.966 1.00 0.00 H new ATOM 2179 N MET A 144 0.013 4.438 -14.107 1.00 0.00 N ATOM 2180 CA MET A 144 -0.005 3.287 -13.259 1.00 0.00 C ATOM 2181 C MET A 144 -0.461 3.664 -11.892 1.00 0.00 C ATOM 2182 O MET A 144 -1.177 2.869 -11.284 1.00 0.00 O ATOM 2183 CB MET A 144 1.369 2.599 -13.213 1.00 0.00 C ATOM 2184 CG MET A 144 1.470 1.373 -12.303 1.00 0.00 C ATOM 2185 SD MET A 144 3.150 0.681 -12.371 1.00 0.00 S ATOM 2186 CE MET A 144 3.084 -0.516 -11.008 1.00 0.00 C ATOM 0 H MET A 144 0.969 4.720 -14.322 1.00 0.00 H new ATOM 0 HA MET A 144 -0.711 2.569 -13.676 1.00 0.00 H new ATOM 0 HB2 MET A 144 1.638 2.299 -14.226 1.00 0.00 H new ATOM 0 HB3 MET A 144 2.110 3.330 -12.889 1.00 0.00 H new ATOM 0 HG2 MET A 144 1.224 1.650 -11.278 1.00 0.00 H new ATOM 0 HG3 MET A 144 0.745 0.620 -12.613 1.00 0.00 H new ATOM 0 HE1 MET A 144 4.013 -1.086 -10.979 1.00 0.00 H new ATOM 0 HE2 MET A 144 2.953 0.014 -10.064 1.00 0.00 H new ATOM 0 HE3 MET A 144 2.246 -1.196 -11.161 1.00 0.00 H new ATOM 2196 N MET A 145 -0.110 4.834 -11.330 1.00 0.00 N ATOM 2197 CA MET A 145 -0.485 5.313 -10.035 1.00 0.00 C ATOM 2198 C MET A 145 -1.773 6.063 -10.030 1.00 0.00 C ATOM 2199 O MET A 145 -2.415 6.207 -8.992 1.00 0.00 O ATOM 2200 CB MET A 145 0.629 6.072 -9.296 1.00 0.00 C ATOM 2201 CG MET A 145 1.754 5.091 -8.961 1.00 0.00 C ATOM 2202 SD MET A 145 1.234 3.893 -7.696 1.00 0.00 S ATOM 2203 CE MET A 145 2.431 2.632 -8.222 1.00 0.00 C ATOM 0 H MET A 145 0.485 5.499 -11.823 1.00 0.00 H new ATOM 0 HA MET A 145 -0.653 4.404 -9.457 1.00 0.00 H new ATOM 0 HB2 MET A 145 1.008 6.884 -9.916 1.00 0.00 H new ATOM 0 HB3 MET A 145 0.238 6.523 -8.384 1.00 0.00 H new ATOM 0 HG2 MET A 145 2.057 4.561 -9.864 1.00 0.00 H new ATOM 0 HG3 MET A 145 2.625 5.642 -8.607 1.00 0.00 H new ATOM 0 HE1 MET A 145 2.283 1.724 -7.638 1.00 0.00 H new ATOM 0 HE2 MET A 145 2.286 2.411 -9.280 1.00 0.00 H new ATOM 0 HE3 MET A 145 3.444 3.003 -8.064 1.00 0.00 H new