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 94 LYS NZ :NH3+ 165:sc= 1.32 (180deg=0) USER MOD Set 1.2: A 107 HIS : no HE2:sc= 1.04 K(o=2.4,f=-8.9!) USER MOD Set 2.1: A 36 MET CE :methyl -153:sc= -0.138 (180deg=0) USER MOD Set 2.2: A 41 GLN : amide:sc=-0.00845 K(o=-0.16,f=-0.8) USER MOD Set 2.3: A 51 MET CE :methyl -163:sc= -0.0125 (180deg=0) USER MOD Set 3.1: A 26 THR OG1 : rot -57:sc= 0.0948 USER MOD Set 3.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.018 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 13 LYS NZ :NH3+ 167:sc= -0.0872 (180deg=-0.294) USER MOD Single : A 17 SER OG : rot 76:sc= 0.325 USER MOD Single : A 21 LYS NZ :NH3+ 165:sc= -0.0289 (180deg=-0.265) USER MOD Single : A 28 THR OG1 : rot -86:sc= 1.21 USER MOD Single : A 29 THR OG1 : rot 91:sc= 0.741 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 65:sc= 0.248 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 60 ASN : amide:sc=-0.00199 X(o=-0.002,f=0.093) USER MOD Single : A 70 THR OG1 : rot 81:sc= 0.489 USER MOD Single : A 71 MET CE :methyl 179:sc= 0 (180deg=-0.000115) USER MOD Single : A 72 MET CE :methyl -179:sc= 0 (180deg=-0.00371) USER MOD Single : A 97 ASN : amide:sc= 0.196 K(o=0.2,f=-1.8!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -60:sc= 0.121 USER MOD Single : A 111 ASN : amide:sc= -0.122 X(o=-0.12,f=-0.54) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -61:sc= 1.04 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0.00738 X(o=0.0074,f=-0.27) USER MOD Single : A 137 ASN : amide:sc= 0.28 K(o=0.28,f=-5.6!) USER MOD Single : A 138 TYR OH : rot 180:sc= -1.15 USER MOD Single : A 143 GLN : amide:sc= -0.647 K(o=-0.65,f=-0.12) USER MOD Single : A 144 MET CE :methyl -154:sc= -0.244 (180deg=-0.966) USER MOD Single : A 145 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -13.706 17.907 0.326 1.00 0.00 N ATOM 59 CA THR A 5 -14.343 18.752 -0.636 1.00 0.00 C ATOM 60 C THR A 5 -15.471 18.091 -1.352 1.00 0.00 C ATOM 61 O THR A 5 -15.611 16.869 -1.327 1.00 0.00 O ATOM 62 CB THR A 5 -13.342 19.432 -1.521 1.00 0.00 C ATOM 63 OG1 THR A 5 -12.814 18.522 -2.476 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.194 20.157 -0.799 1.00 0.00 C ATOM 0 HA THR A 5 -14.835 19.554 -0.086 1.00 0.00 H new ATOM 0 HB THR A 5 -13.912 20.220 -2.012 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.164 18.985 -3.045 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.531 20.612 -1.535 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.604 20.932 -0.151 1.00 0.00 H new ATOM 0 HG23 THR A 5 -11.632 19.441 -0.198 1.00 0.00 H new ATOM 72 N GLU A 6 -16.339 18.822 -2.074 1.00 0.00 N ATOM 73 CA GLU A 6 -17.519 18.328 -2.711 1.00 0.00 C ATOM 74 C GLU A 6 -17.173 17.439 -3.856 1.00 0.00 C ATOM 75 O GLU A 6 -17.821 16.431 -4.133 1.00 0.00 O ATOM 76 CB GLU A 6 -18.380 19.447 -3.322 1.00 0.00 C ATOM 77 CG GLU A 6 -19.762 18.951 -3.751 1.00 0.00 C ATOM 78 CD GLU A 6 -20.703 20.027 -4.275 1.00 0.00 C ATOM 79 OE1 GLU A 6 -20.554 20.732 -5.309 1.00 0.00 O ATOM 80 OE2 GLU A 6 -21.793 20.146 -3.653 1.00 0.00 O ATOM 0 H GLU A 6 -16.207 19.823 -2.222 1.00 0.00 H new ATOM 0 HA GLU A 6 -18.064 17.807 -1.924 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -18.495 20.251 -2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.864 19.869 -4.185 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -19.635 18.194 -4.525 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -20.235 18.461 -2.900 1.00 0.00 H new ATOM 87 N GLU A 7 -16.022 17.653 -4.518 1.00 0.00 N ATOM 88 CA GLU A 7 -15.539 16.814 -5.570 1.00 0.00 C ATOM 89 C GLU A 7 -15.040 15.500 -5.077 1.00 0.00 C ATOM 90 O GLU A 7 -15.464 14.463 -5.584 1.00 0.00 O ATOM 91 CB GLU A 7 -14.424 17.614 -6.265 1.00 0.00 C ATOM 92 CG GLU A 7 -13.676 17.032 -7.466 1.00 0.00 C ATOM 93 CD GLU A 7 -12.507 17.897 -7.915 1.00 0.00 C ATOM 94 OE1 GLU A 7 -12.671 18.924 -8.626 1.00 0.00 O ATOM 95 OE2 GLU A 7 -11.361 17.481 -7.596 1.00 0.00 O ATOM 0 H GLU A 7 -15.405 18.439 -4.313 1.00 0.00 H new ATOM 0 HA GLU A 7 -16.346 16.563 -6.258 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.861 18.559 -6.587 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.678 17.850 -5.506 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.308 16.038 -7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.372 16.911 -8.297 1.00 0.00 H new ATOM 102 N GLN A 8 -14.263 15.386 -3.985 1.00 0.00 N ATOM 103 CA GLN A 8 -14.060 14.210 -3.197 1.00 0.00 C ATOM 104 C GLN A 8 -15.287 13.483 -2.764 1.00 0.00 C ATOM 105 O GLN A 8 -15.249 12.254 -2.810 1.00 0.00 O ATOM 106 CB GLN A 8 -13.179 14.426 -1.955 1.00 0.00 C ATOM 107 CG GLN A 8 -11.908 15.171 -2.368 1.00 0.00 C ATOM 108 CD GLN A 8 -11.068 15.419 -1.123 1.00 0.00 C ATOM 109 OE1 GLN A 8 -11.490 15.588 0.020 1.00 0.00 O ATOM 110 NE2 GLN A 8 -9.726 15.549 -1.300 1.00 0.00 N ATOM 0 H GLN A 8 -13.735 16.181 -3.626 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.541 13.582 -3.921 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.723 14.998 -1.203 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.923 13.467 -1.504 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.345 14.585 -3.095 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -12.162 16.116 -2.848 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.319 15.420 -2.226 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -9.127 15.775 -0.506 1.00 0.00 H new ATOM 119 N ILE A 9 -16.347 14.192 -2.338 1.00 0.00 N ATOM 120 CA ILE A 9 -17.567 13.611 -1.869 1.00 0.00 C ATOM 121 C ILE A 9 -18.352 13.021 -2.989 1.00 0.00 C ATOM 122 O ILE A 9 -18.779 11.868 -2.965 1.00 0.00 O ATOM 123 CB ILE A 9 -18.384 14.543 -1.025 1.00 0.00 C ATOM 124 CG1 ILE A 9 -17.824 14.831 0.378 1.00 0.00 C ATOM 125 CG2 ILE A 9 -19.825 14.050 -0.805 1.00 0.00 C ATOM 126 CD1 ILE A 9 -17.718 13.668 1.363 1.00 0.00 C ATOM 0 H ILE A 9 -16.355 15.212 -2.319 1.00 0.00 H new ATOM 0 HA ILE A 9 -17.285 12.796 -1.202 1.00 0.00 H new ATOM 0 HB ILE A 9 -18.351 15.455 -1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -16.828 15.258 0.258 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -18.448 15.599 0.835 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -20.365 14.768 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -20.327 13.951 -1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -19.806 13.082 -0.304 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -17.307 14.027 2.307 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -18.708 13.246 1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -17.063 12.900 0.950 1.00 0.00 H new ATOM 138 N ALA A 10 -18.519 13.754 -4.105 1.00 0.00 N ATOM 139 CA ALA A 10 -19.126 13.284 -5.311 1.00 0.00 C ATOM 140 C ALA A 10 -18.397 12.176 -5.990 1.00 0.00 C ATOM 141 O ALA A 10 -19.104 11.377 -6.601 1.00 0.00 O ATOM 142 CB ALA A 10 -19.231 14.507 -6.238 1.00 0.00 C ATOM 0 H ALA A 10 -18.214 14.725 -4.168 1.00 0.00 H new ATOM 0 HA ALA A 10 -20.094 12.849 -5.065 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -19.690 14.210 -7.181 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -19.843 15.273 -5.762 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -18.235 14.906 -6.429 1.00 0.00 H new ATOM 148 N GLU A 11 -17.060 12.077 -5.875 1.00 0.00 N ATOM 149 CA GLU A 11 -16.414 10.917 -6.404 1.00 0.00 C ATOM 150 C GLU A 11 -16.717 9.695 -5.607 1.00 0.00 C ATOM 151 O GLU A 11 -17.167 8.694 -6.164 1.00 0.00 O ATOM 152 CB GLU A 11 -14.885 11.024 -6.282 1.00 0.00 C ATOM 153 CG GLU A 11 -14.238 11.553 -7.564 1.00 0.00 C ATOM 154 CD GLU A 11 -14.160 10.554 -8.710 1.00 0.00 C ATOM 155 OE1 GLU A 11 -13.774 9.363 -8.569 1.00 0.00 O ATOM 156 OE2 GLU A 11 -14.583 10.953 -9.827 1.00 0.00 O ATOM 0 H GLU A 11 -16.449 12.766 -5.436 1.00 0.00 H new ATOM 0 HA GLU A 11 -16.768 10.853 -7.433 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.634 11.684 -5.451 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.472 10.043 -6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.798 12.426 -7.901 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.229 11.892 -7.330 1.00 0.00 H new ATOM 163 N PHE A 12 -16.602 9.726 -4.267 1.00 0.00 N ATOM 164 CA PHE A 12 -16.729 8.613 -3.379 1.00 0.00 C ATOM 165 C PHE A 12 -18.104 8.039 -3.410 1.00 0.00 C ATOM 166 O PHE A 12 -18.363 6.852 -3.217 1.00 0.00 O ATOM 167 CB PHE A 12 -16.323 8.911 -1.926 1.00 0.00 C ATOM 168 CG PHE A 12 -14.849 8.965 -1.718 1.00 0.00 C ATOM 169 CD1 PHE A 12 -14.050 7.967 -2.225 1.00 0.00 C ATOM 170 CD2 PHE A 12 -14.265 9.965 -0.976 1.00 0.00 C ATOM 171 CE1 PHE A 12 -12.720 7.974 -1.876 1.00 0.00 C ATOM 172 CE2 PHE A 12 -12.910 9.995 -0.741 1.00 0.00 C ATOM 173 CZ PHE A 12 -12.089 8.994 -1.204 1.00 0.00 C ATOM 0 H PHE A 12 -16.406 10.594 -3.769 1.00 0.00 H new ATOM 0 HA PHE A 12 -16.017 7.879 -3.757 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -16.759 9.863 -1.624 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -16.746 8.146 -1.275 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -14.453 7.204 -2.875 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -14.887 10.748 -0.567 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -12.127 7.114 -2.150 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -12.485 10.817 -0.185 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.020 9.008 -1.050 1.00 0.00 H new ATOM 183 N LYS A 13 -19.139 8.896 -3.475 1.00 0.00 N ATOM 184 CA LYS A 13 -20.503 8.471 -3.546 1.00 0.00 C ATOM 185 C LYS A 13 -20.854 7.906 -4.879 1.00 0.00 C ATOM 186 O LYS A 13 -21.568 6.904 -4.846 1.00 0.00 O ATOM 187 CB LYS A 13 -21.399 9.697 -3.304 1.00 0.00 C ATOM 188 CG LYS A 13 -22.843 9.204 -3.188 1.00 0.00 C ATOM 189 CD LYS A 13 -23.817 10.132 -2.461 1.00 0.00 C ATOM 190 CE LYS A 13 -24.243 11.418 -3.173 1.00 0.00 C ATOM 191 NZ LYS A 13 -24.697 11.112 -4.548 1.00 0.00 N ATOM 0 H LYS A 13 -19.025 9.910 -3.478 1.00 0.00 H new ATOM 0 HA LYS A 13 -20.650 7.693 -2.797 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -21.098 10.217 -2.394 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -21.303 10.409 -4.124 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -23.226 9.025 -4.193 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -22.837 8.243 -2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -24.717 9.561 -2.234 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -23.367 10.410 -1.508 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -25.045 11.902 -2.616 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -23.409 12.119 -3.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -25.185 11.940 -4.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -23.875 10.878 -5.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -25.350 10.303 -4.526 1.00 0.00 H new ATOM 205 N GLU A 14 -20.243 8.362 -5.987 1.00 0.00 N ATOM 206 CA GLU A 14 -20.325 7.693 -7.249 1.00 0.00 C ATOM 207 C GLU A 14 -19.712 6.337 -7.184 1.00 0.00 C ATOM 208 O GLU A 14 -20.333 5.349 -7.571 1.00 0.00 O ATOM 209 CB GLU A 14 -19.688 8.541 -8.362 1.00 0.00 C ATOM 210 CG GLU A 14 -19.686 7.996 -9.792 1.00 0.00 C ATOM 211 CD GLU A 14 -20.902 8.267 -10.667 1.00 0.00 C ATOM 212 OE1 GLU A 14 -22.056 7.846 -10.386 1.00 0.00 O ATOM 213 OE2 GLU A 14 -20.648 8.966 -11.684 1.00 0.00 O ATOM 0 H GLU A 14 -19.681 9.213 -6.007 1.00 0.00 H new ATOM 0 HA GLU A 14 -21.380 7.563 -7.490 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -20.198 9.504 -8.376 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -18.653 8.733 -8.080 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -18.812 8.402 -10.302 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -19.550 6.916 -9.736 1.00 0.00 H new ATOM 220 N ALA A 15 -18.501 6.234 -6.607 1.00 0.00 N ATOM 221 CA ALA A 15 -17.722 5.047 -6.434 1.00 0.00 C ATOM 222 C ALA A 15 -18.448 4.007 -5.652 1.00 0.00 C ATOM 223 O ALA A 15 -18.347 2.826 -5.982 1.00 0.00 O ATOM 224 CB ALA A 15 -16.304 5.340 -5.916 1.00 0.00 C ATOM 0 H ALA A 15 -18.027 7.055 -6.229 1.00 0.00 H new ATOM 0 HA ALA A 15 -17.575 4.616 -7.424 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.757 4.404 -5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.782 5.981 -6.626 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.366 5.843 -4.951 1.00 0.00 H new ATOM 230 N PHE A 16 -19.145 4.394 -4.569 1.00 0.00 N ATOM 231 CA PHE A 16 -20.098 3.634 -3.821 1.00 0.00 C ATOM 232 C PHE A 16 -21.205 3.125 -4.679 1.00 0.00 C ATOM 233 O PHE A 16 -21.498 1.930 -4.673 1.00 0.00 O ATOM 234 CB PHE A 16 -20.646 4.494 -2.670 1.00 0.00 C ATOM 235 CG PHE A 16 -21.210 3.612 -1.610 1.00 0.00 C ATOM 236 CD1 PHE A 16 -22.552 3.317 -1.622 1.00 0.00 C ATOM 237 CD2 PHE A 16 -20.440 3.305 -0.512 1.00 0.00 C ATOM 238 CE1 PHE A 16 -23.020 2.497 -0.623 1.00 0.00 C ATOM 239 CE2 PHE A 16 -20.963 2.652 0.580 1.00 0.00 C ATOM 240 CZ PHE A 16 -22.273 2.242 0.503 1.00 0.00 C ATOM 0 H PHE A 16 -19.028 5.330 -4.181 1.00 0.00 H new ATOM 0 HA PHE A 16 -19.593 2.759 -3.412 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -19.851 5.114 -2.256 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -21.416 5.170 -3.042 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -23.210 3.712 -2.382 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -19.397 3.584 -0.507 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -23.995 2.043 -0.725 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -20.368 2.469 1.463 1.00 0.00 H new ATOM 0 HZ PHE A 16 -22.719 1.715 1.334 1.00 0.00 H new ATOM 250 N SER A 17 -21.802 4.021 -5.485 1.00 0.00 N ATOM 251 CA SER A 17 -22.955 3.580 -6.207 1.00 0.00 C ATOM 252 C SER A 17 -22.711 2.747 -7.419 1.00 0.00 C ATOM 253 O SER A 17 -23.666 2.296 -8.049 1.00 0.00 O ATOM 254 CB SER A 17 -23.868 4.763 -6.570 1.00 0.00 C ATOM 255 OG SER A 17 -24.198 5.452 -5.373 1.00 0.00 O ATOM 0 H SER A 17 -21.513 4.988 -5.633 1.00 0.00 H new ATOM 0 HA SER A 17 -23.443 2.907 -5.501 1.00 0.00 H new ATOM 0 HB2 SER A 17 -23.364 5.432 -7.267 1.00 0.00 H new ATOM 0 HB3 SER A 17 -24.771 4.408 -7.066 1.00 0.00 H new ATOM 0 HG SER A 17 -23.431 5.988 -5.082 1.00 0.00 H new ATOM 261 N LEU A 18 -21.454 2.453 -7.795 1.00 0.00 N ATOM 262 CA LEU A 18 -21.066 1.367 -8.640 1.00 0.00 C ATOM 263 C LEU A 18 -21.112 0.013 -8.019 1.00 0.00 C ATOM 264 O LEU A 18 -21.563 -1.007 -8.536 1.00 0.00 O ATOM 265 CB LEU A 18 -19.581 1.465 -9.028 1.00 0.00 C ATOM 266 CG LEU A 18 -19.146 2.617 -9.950 1.00 0.00 C ATOM 267 CD1 LEU A 18 -17.632 2.489 -10.189 1.00 0.00 C ATOM 268 CD2 LEU A 18 -19.825 2.361 -11.306 1.00 0.00 C ATOM 0 H LEU A 18 -20.657 3.011 -7.488 1.00 0.00 H new ATOM 0 HA LEU A 18 -21.783 1.459 -9.456 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -19.000 1.537 -8.108 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -19.300 0.528 -9.510 1.00 0.00 H new ATOM 0 HG LEU A 18 -19.399 3.588 -9.524 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.297 3.296 -10.841 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -17.107 2.551 -9.236 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -17.418 1.529 -10.659 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -19.551 3.151 -12.005 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -19.499 1.399 -11.700 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -20.907 2.351 -11.175 1.00 0.00 H new ATOM 280 N PHE A 19 -20.642 -0.060 -6.761 1.00 0.00 N ATOM 281 CA PHE A 19 -20.534 -1.299 -6.055 1.00 0.00 C ATOM 282 C PHE A 19 -21.831 -1.696 -5.438 1.00 0.00 C ATOM 283 O PHE A 19 -22.240 -2.837 -5.648 1.00 0.00 O ATOM 284 CB PHE A 19 -19.490 -1.237 -4.928 1.00 0.00 C ATOM 285 CG PHE A 19 -18.113 -1.194 -5.495 1.00 0.00 C ATOM 286 CD1 PHE A 19 -17.586 -2.183 -6.292 1.00 0.00 C ATOM 287 CD2 PHE A 19 -17.372 -0.066 -5.229 1.00 0.00 C ATOM 288 CE1 PHE A 19 -16.425 -1.935 -6.987 1.00 0.00 C ATOM 289 CE2 PHE A 19 -16.141 0.093 -5.819 1.00 0.00 C ATOM 290 CZ PHE A 19 -15.672 -0.810 -6.744 1.00 0.00 C ATOM 0 H PHE A 19 -20.333 0.752 -6.226 1.00 0.00 H new ATOM 0 HA PHE A 19 -20.229 -2.031 -6.802 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -19.664 -0.355 -4.311 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.595 -2.106 -4.278 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -18.077 -3.142 -6.371 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -17.755 0.690 -4.560 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -16.098 -2.638 -7.739 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -15.531 0.943 -5.551 1.00 0.00 H new ATOM 0 HZ PHE A 19 -14.741 -0.641 -7.264 1.00 0.00 H new ATOM 300 N ASP A 20 -22.545 -0.719 -4.851 1.00 0.00 N ATOM 301 CA ASP A 20 -23.928 -0.837 -4.507 1.00 0.00 C ATOM 302 C ASP A 20 -24.742 -1.036 -5.740 1.00 0.00 C ATOM 303 O ASP A 20 -24.799 -0.237 -6.673 1.00 0.00 O ATOM 304 CB ASP A 20 -24.507 0.332 -3.692 1.00 0.00 C ATOM 305 CG ASP A 20 -25.772 0.079 -2.884 1.00 0.00 C ATOM 306 OD1 ASP A 20 -26.153 -1.102 -2.664 1.00 0.00 O ATOM 307 OD2 ASP A 20 -26.433 1.120 -2.627 1.00 0.00 O ATOM 0 H ASP A 20 -22.144 0.187 -4.607 1.00 0.00 H new ATOM 0 HA ASP A 20 -23.983 -1.704 -3.849 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -23.734 0.676 -3.004 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -24.709 1.152 -4.381 1.00 0.00 H new ATOM 312 N LYS A 21 -25.447 -2.180 -5.811 1.00 0.00 N ATOM 313 CA LYS A 21 -26.183 -2.681 -6.929 1.00 0.00 C ATOM 314 C LYS A 21 -27.642 -2.385 -6.872 1.00 0.00 C ATOM 315 O LYS A 21 -28.237 -1.969 -7.864 1.00 0.00 O ATOM 316 CB LYS A 21 -25.891 -4.171 -7.172 1.00 0.00 C ATOM 317 CG LYS A 21 -26.800 -4.836 -8.207 1.00 0.00 C ATOM 318 CD LYS A 21 -26.331 -6.251 -8.550 1.00 0.00 C ATOM 319 CE LYS A 21 -26.978 -6.864 -9.794 1.00 0.00 C ATOM 320 NZ LYS A 21 -26.606 -6.092 -11.001 1.00 0.00 N ATOM 0 H LYS A 21 -25.505 -2.810 -5.011 1.00 0.00 H new ATOM 0 HA LYS A 21 -25.823 -2.130 -7.798 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -24.855 -4.277 -7.495 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -25.986 -4.706 -6.227 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -27.820 -4.874 -7.824 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -26.822 -4.231 -9.113 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -25.250 -6.235 -8.692 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -26.531 -6.900 -7.698 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -26.659 -7.900 -9.905 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -28.062 -6.874 -9.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -26.831 -6.647 -11.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -27.139 -5.199 -11.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -25.587 -5.887 -10.981 1.00 0.00 H new ATOM 334 N ASP A 22 -28.345 -2.574 -5.741 1.00 0.00 N ATOM 335 CA ASP A 22 -29.728 -2.288 -5.513 1.00 0.00 C ATOM 336 C ASP A 22 -29.904 -0.834 -5.237 1.00 0.00 C ATOM 337 O ASP A 22 -30.891 -0.198 -5.602 1.00 0.00 O ATOM 338 CB ASP A 22 -30.463 -3.255 -4.569 1.00 0.00 C ATOM 339 CG ASP A 22 -29.717 -3.466 -3.259 1.00 0.00 C ATOM 340 OD1 ASP A 22 -28.504 -3.157 -3.115 1.00 0.00 O ATOM 341 OD2 ASP A 22 -30.299 -4.106 -2.343 1.00 0.00 O ATOM 0 H ASP A 22 -27.902 -2.964 -4.909 1.00 0.00 H new ATOM 0 HA ASP A 22 -30.264 -2.501 -6.438 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -31.459 -2.866 -4.358 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -30.595 -4.215 -5.068 1.00 0.00 H new ATOM 346 N GLY A 23 -28.980 -0.235 -4.465 1.00 0.00 N ATOM 347 CA GLY A 23 -28.953 1.165 -4.176 1.00 0.00 C ATOM 348 C GLY A 23 -29.612 1.534 -2.892 1.00 0.00 C ATOM 349 O GLY A 23 -30.008 2.676 -2.664 1.00 0.00 O ATOM 0 H GLY A 23 -28.218 -0.749 -4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -27.916 1.500 -4.149 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -29.440 1.702 -4.990 1.00 0.00 H new ATOM 353 N ASP A 24 -29.721 0.595 -1.935 1.00 0.00 N ATOM 354 CA ASP A 24 -30.223 0.753 -0.606 1.00 0.00 C ATOM 355 C ASP A 24 -29.393 1.661 0.236 1.00 0.00 C ATOM 356 O ASP A 24 -29.757 2.469 1.089 1.00 0.00 O ATOM 357 CB ASP A 24 -30.466 -0.593 0.098 1.00 0.00 C ATOM 358 CG ASP A 24 -29.248 -1.459 0.385 1.00 0.00 C ATOM 359 OD1 ASP A 24 -28.338 -1.600 -0.476 1.00 0.00 O ATOM 360 OD2 ASP A 24 -29.183 -2.066 1.487 1.00 0.00 O ATOM 0 H ASP A 24 -29.429 -0.366 -2.112 1.00 0.00 H new ATOM 0 HA ASP A 24 -31.191 1.239 -0.726 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -30.969 -0.393 1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -31.157 -1.174 -0.513 1.00 0.00 H new ATOM 365 N GLY A 25 -28.093 1.629 -0.106 1.00 0.00 N ATOM 366 CA GLY A 25 -27.081 2.464 0.463 1.00 0.00 C ATOM 367 C GLY A 25 -26.101 1.656 1.242 1.00 0.00 C ATOM 368 O GLY A 25 -25.462 2.224 2.126 1.00 0.00 O ATOM 0 H GLY A 25 -27.730 0.990 -0.813 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -26.564 3.006 -0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -27.541 3.209 1.112 1.00 0.00 H new ATOM 372 N THR A 26 -26.105 0.318 1.105 1.00 0.00 N ATOM 373 CA THR A 26 -25.055 -0.437 1.715 1.00 0.00 C ATOM 374 C THR A 26 -24.468 -1.437 0.779 1.00 0.00 C ATOM 375 O THR A 26 -25.202 -2.106 0.054 1.00 0.00 O ATOM 376 CB THR A 26 -25.459 -1.095 3.001 1.00 0.00 C ATOM 377 OG1 THR A 26 -26.349 -2.195 2.887 1.00 0.00 O ATOM 378 CG2 THR A 26 -26.142 -0.192 4.043 1.00 0.00 C ATOM 0 H THR A 26 -26.803 -0.223 0.595 1.00 0.00 H new ATOM 0 HA THR A 26 -24.287 0.296 1.964 1.00 0.00 H new ATOM 0 HB THR A 26 -24.465 -1.406 3.324 1.00 0.00 H new ATOM 0 HG1 THR A 26 -27.161 -1.911 2.417 1.00 0.00 H new ATOM 0 HG21 THR A 26 -26.387 -0.779 4.928 1.00 0.00 H new ATOM 0 HG22 THR A 26 -25.468 0.618 4.320 1.00 0.00 H new ATOM 0 HG23 THR A 26 -27.056 0.225 3.620 1.00 0.00 H new ATOM 386 N ILE A 27 -23.140 -1.652 0.776 1.00 0.00 N ATOM 387 CA ILE A 27 -22.467 -2.668 0.029 1.00 0.00 C ATOM 388 C ILE A 27 -22.498 -3.903 0.862 1.00 0.00 C ATOM 389 O ILE A 27 -22.227 -3.969 2.060 1.00 0.00 O ATOM 390 CB ILE A 27 -21.086 -2.353 -0.466 1.00 0.00 C ATOM 391 CG1 ILE A 27 -20.929 -0.844 -0.714 1.00 0.00 C ATOM 392 CG2 ILE A 27 -20.868 -3.179 -1.745 1.00 0.00 C ATOM 393 CD1 ILE A 27 -19.507 -0.384 -1.031 1.00 0.00 C ATOM 0 H ILE A 27 -22.499 -1.082 1.328 1.00 0.00 H new ATOM 0 HA ILE A 27 -23.004 -2.783 -0.913 1.00 0.00 H new ATOM 0 HB ILE A 27 -20.330 -2.615 0.275 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -21.580 -0.558 -1.540 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -21.280 -0.308 0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.872 -2.980 -2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -20.961 -4.240 -1.513 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -21.616 -2.903 -2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -19.500 0.694 -1.190 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -18.850 -0.632 -0.197 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -19.155 -0.886 -1.932 1.00 0.00 H new ATOM 405 N THR A 28 -22.722 -5.073 0.236 1.00 0.00 N ATOM 406 CA THR A 28 -22.696 -6.410 0.741 1.00 0.00 C ATOM 407 C THR A 28 -21.504 -7.121 0.200 1.00 0.00 C ATOM 408 O THR A 28 -20.763 -6.650 -0.662 1.00 0.00 O ATOM 409 CB THR A 28 -23.952 -7.145 0.376 1.00 0.00 C ATOM 410 OG1 THR A 28 -24.159 -7.050 -1.025 1.00 0.00 O ATOM 411 CG2 THR A 28 -25.179 -6.477 1.019 1.00 0.00 C ATOM 0 H THR A 28 -22.952 -5.075 -0.758 1.00 0.00 H new ATOM 0 HA THR A 28 -22.633 -6.374 1.829 1.00 0.00 H new ATOM 0 HB THR A 28 -23.841 -8.175 0.714 1.00 0.00 H new ATOM 0 HG1 THR A 28 -24.644 -6.223 -1.229 1.00 0.00 H new ATOM 0 HG21 THR A 28 -26.079 -7.026 0.742 1.00 0.00 H new ATOM 0 HG22 THR A 28 -25.070 -6.483 2.104 1.00 0.00 H new ATOM 0 HG23 THR A 28 -25.259 -5.448 0.668 1.00 0.00 H new ATOM 419 N THR A 29 -21.310 -8.378 0.638 1.00 0.00 N ATOM 420 CA THR A 29 -20.301 -9.267 0.151 1.00 0.00 C ATOM 421 C THR A 29 -20.436 -9.635 -1.287 1.00 0.00 C ATOM 422 O THR A 29 -19.412 -9.653 -1.968 1.00 0.00 O ATOM 423 CB THR A 29 -20.038 -10.514 0.943 1.00 0.00 C ATOM 424 OG1 THR A 29 -21.121 -11.432 0.954 1.00 0.00 O ATOM 425 CG2 THR A 29 -19.734 -10.189 2.415 1.00 0.00 C ATOM 0 H THR A 29 -21.886 -8.795 1.369 1.00 0.00 H new ATOM 0 HA THR A 29 -19.430 -8.626 0.286 1.00 0.00 H new ATOM 0 HB THR A 29 -19.185 -10.970 0.440 1.00 0.00 H new ATOM 0 HG1 THR A 29 -21.023 -12.062 0.210 1.00 0.00 H new ATOM 0 HG21 THR A 29 -19.548 -11.114 2.961 1.00 0.00 H new ATOM 0 HG22 THR A 29 -18.852 -9.551 2.472 1.00 0.00 H new ATOM 0 HG23 THR A 29 -20.586 -9.672 2.857 1.00 0.00 H new ATOM 433 N LYS A 30 -21.666 -9.798 -1.807 1.00 0.00 N ATOM 434 CA LYS A 30 -21.901 -10.033 -3.198 1.00 0.00 C ATOM 435 C LYS A 30 -21.443 -8.877 -4.019 1.00 0.00 C ATOM 436 O LYS A 30 -20.575 -9.007 -4.881 1.00 0.00 O ATOM 437 CB LYS A 30 -23.345 -10.459 -3.511 1.00 0.00 C ATOM 438 CG LYS A 30 -23.928 -11.525 -2.581 1.00 0.00 C ATOM 439 CD LYS A 30 -25.379 -11.870 -2.924 1.00 0.00 C ATOM 440 CE LYS A 30 -25.839 -13.211 -2.348 1.00 0.00 C ATOM 441 NZ LYS A 30 -25.932 -13.264 -0.872 1.00 0.00 N ATOM 0 H LYS A 30 -22.518 -9.766 -1.247 1.00 0.00 H new ATOM 0 HA LYS A 30 -21.295 -10.893 -3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -23.984 -9.577 -3.471 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -23.382 -10.833 -4.534 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -23.319 -12.427 -2.641 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -23.875 -11.172 -1.551 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -26.030 -11.080 -2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -25.493 -11.891 -4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -26.816 -13.452 -2.767 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -25.150 -13.987 -2.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -26.251 -14.209 -0.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -24.998 -13.069 -0.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -26.613 -12.551 -0.541 1.00 0.00 H new ATOM 455 N GLU A 31 -21.921 -7.658 -3.715 1.00 0.00 N ATOM 456 CA GLU A 31 -21.630 -6.379 -4.285 1.00 0.00 C ATOM 457 C GLU A 31 -20.226 -5.902 -4.426 1.00 0.00 C ATOM 458 O GLU A 31 -19.795 -5.280 -5.396 1.00 0.00 O ATOM 459 CB GLU A 31 -22.591 -5.363 -3.643 1.00 0.00 C ATOM 460 CG GLU A 31 -24.039 -5.431 -4.130 1.00 0.00 C ATOM 461 CD GLU A 31 -24.943 -4.642 -3.194 1.00 0.00 C ATOM 462 OE1 GLU A 31 -24.800 -4.638 -1.942 1.00 0.00 O ATOM 463 OE2 GLU A 31 -25.842 -3.929 -3.714 1.00 0.00 O ATOM 0 H GLU A 31 -22.606 -7.562 -2.965 1.00 0.00 H new ATOM 0 HA GLU A 31 -21.800 -6.507 -5.354 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -22.581 -5.512 -2.563 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -22.209 -4.359 -3.830 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -24.110 -5.030 -5.141 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -24.367 -6.469 -4.176 1.00 0.00 H new ATOM 470 N LEU A 32 -19.477 -6.342 -3.399 1.00 0.00 N ATOM 471 CA LEU A 32 -18.060 -6.154 -3.446 1.00 0.00 C ATOM 472 C LEU A 32 -17.468 -7.180 -4.351 1.00 0.00 C ATOM 473 O LEU A 32 -16.806 -6.824 -5.324 1.00 0.00 O ATOM 474 CB LEU A 32 -17.449 -6.317 -2.044 1.00 0.00 C ATOM 475 CG LEU A 32 -17.564 -5.012 -1.240 1.00 0.00 C ATOM 476 CD1 LEU A 32 -17.189 -5.246 0.233 1.00 0.00 C ATOM 477 CD2 LEU A 32 -16.764 -3.819 -1.789 1.00 0.00 C ATOM 0 H LEU A 32 -19.834 -6.810 -2.566 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.847 -5.150 -3.812 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.957 -7.122 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.401 -6.604 -2.131 1.00 0.00 H new ATOM 0 HG LEU A 32 -18.612 -4.730 -1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.277 -4.310 0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -17.861 -5.987 0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.163 -5.608 0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -16.917 -2.952 -1.146 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.704 -4.071 -1.812 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -17.104 -3.587 -2.798 1.00 0.00 H new ATOM 489 N GLY A 33 -17.807 -8.460 -4.115 1.00 0.00 N ATOM 490 CA GLY A 33 -17.212 -9.638 -4.667 1.00 0.00 C ATOM 491 C GLY A 33 -17.463 -9.833 -6.122 1.00 0.00 C ATOM 492 O GLY A 33 -16.567 -10.296 -6.826 1.00 0.00 O ATOM 0 H GLY A 33 -18.569 -8.690 -3.478 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.136 -9.599 -4.499 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.588 -10.507 -4.127 1.00 0.00 H new ATOM 496 N THR A 34 -18.650 -9.397 -6.581 1.00 0.00 N ATOM 497 CA THR A 34 -18.980 -9.702 -7.939 1.00 0.00 C ATOM 498 C THR A 34 -18.102 -9.037 -8.942 1.00 0.00 C ATOM 499 O THR A 34 -17.618 -9.576 -9.936 1.00 0.00 O ATOM 500 CB THR A 34 -20.346 -9.232 -8.341 1.00 0.00 C ATOM 501 OG1 THR A 34 -21.356 -9.976 -7.674 1.00 0.00 O ATOM 502 CG2 THR A 34 -20.546 -9.414 -9.855 1.00 0.00 C ATOM 0 H THR A 34 -19.343 -8.867 -6.052 1.00 0.00 H new ATOM 0 HA THR A 34 -18.879 -10.787 -7.948 1.00 0.00 H new ATOM 0 HB THR A 34 -20.423 -8.179 -8.069 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.307 -9.803 -6.711 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.542 -9.069 -10.135 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.797 -8.834 -10.393 1.00 0.00 H new ATOM 0 HG23 THR A 34 -20.442 -10.468 -10.112 1.00 0.00 H new ATOM 510 N VAL A 35 -17.680 -7.787 -8.677 1.00 0.00 N ATOM 511 CA VAL A 35 -16.773 -6.992 -9.445 1.00 0.00 C ATOM 512 C VAL A 35 -15.371 -7.494 -9.402 1.00 0.00 C ATOM 513 O VAL A 35 -14.694 -7.466 -10.428 1.00 0.00 O ATOM 514 CB VAL A 35 -16.731 -5.533 -9.097 1.00 0.00 C ATOM 515 CG1 VAL A 35 -16.053 -4.655 -10.163 1.00 0.00 C ATOM 516 CG2 VAL A 35 -18.165 -5.001 -8.938 1.00 0.00 C ATOM 0 H VAL A 35 -18.005 -7.289 -7.848 1.00 0.00 H new ATOM 0 HA VAL A 35 -17.193 -7.092 -10.446 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.149 -5.471 -8.177 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -16.063 -3.615 -9.838 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -15.023 -4.982 -10.302 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -16.593 -4.745 -11.106 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -18.134 -3.941 -8.685 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -18.709 -5.135 -9.873 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -18.670 -5.549 -8.143 1.00 0.00 H new ATOM 526 N MET A 36 -14.936 -8.027 -8.246 1.00 0.00 N ATOM 527 CA MET A 36 -13.704 -8.732 -8.069 1.00 0.00 C ATOM 528 C MET A 36 -13.567 -9.902 -8.981 1.00 0.00 C ATOM 529 O MET A 36 -12.510 -10.245 -9.508 1.00 0.00 O ATOM 530 CB MET A 36 -13.566 -9.281 -6.639 1.00 0.00 C ATOM 531 CG MET A 36 -12.860 -8.394 -5.611 1.00 0.00 C ATOM 532 SD MET A 36 -12.974 -9.000 -3.901 1.00 0.00 S ATOM 533 CE MET A 36 -11.318 -9.743 -3.867 1.00 0.00 C ATOM 0 H MET A 36 -15.477 -7.962 -7.384 1.00 0.00 H new ATOM 0 HA MET A 36 -12.932 -7.994 -8.289 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.566 -9.501 -6.264 1.00 0.00 H new ATOM 0 HB3 MET A 36 -13.030 -10.228 -6.692 1.00 0.00 H new ATOM 0 HG2 MET A 36 -11.808 -8.307 -5.884 1.00 0.00 H new ATOM 0 HG3 MET A 36 -13.286 -7.392 -5.659 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.303 -10.565 -3.151 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.068 -10.121 -4.859 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.587 -8.990 -3.571 1.00 0.00 H new ATOM 543 N ARG A 37 -14.649 -10.676 -9.182 1.00 0.00 N ATOM 544 CA ARG A 37 -14.648 -11.762 -10.112 1.00 0.00 C ATOM 545 C ARG A 37 -14.706 -11.342 -11.540 1.00 0.00 C ATOM 546 O ARG A 37 -14.145 -12.075 -12.353 1.00 0.00 O ATOM 547 CB ARG A 37 -15.856 -12.713 -10.057 1.00 0.00 C ATOM 548 CG ARG A 37 -15.968 -13.705 -8.897 1.00 0.00 C ATOM 549 CD ARG A 37 -16.134 -13.185 -7.467 1.00 0.00 C ATOM 550 NE ARG A 37 -16.111 -14.276 -6.452 1.00 0.00 N ATOM 551 CZ ARG A 37 -16.827 -14.317 -5.291 1.00 0.00 C ATOM 552 NH1 ARG A 37 -17.894 -13.478 -5.149 1.00 0.00 N ATOM 553 NH2 ARG A 37 -16.572 -15.255 -4.333 1.00 0.00 N ATOM 0 H ARG A 37 -15.535 -10.547 -8.693 1.00 0.00 H new ATOM 0 HA ARG A 37 -13.718 -12.239 -9.805 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -16.757 -12.100 -10.054 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -15.865 -13.288 -10.983 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -16.816 -14.357 -9.107 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -15.074 -14.329 -8.915 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -15.337 -12.474 -7.248 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -17.076 -12.642 -7.389 1.00 0.00 H new ATOM 0 HE ARG A 37 -15.500 -15.070 -6.644 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -18.142 -12.837 -5.902 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -18.443 -13.492 -4.289 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.834 -15.944 -4.477 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.120 -15.267 -3.473 1.00 0.00 H new ATOM 567 N SER A 38 -15.263 -10.159 -11.857 1.00 0.00 N ATOM 568 CA SER A 38 -15.068 -9.549 -13.135 1.00 0.00 C ATOM 569 C SER A 38 -13.646 -9.152 -13.333 1.00 0.00 C ATOM 570 O SER A 38 -13.013 -9.233 -14.384 1.00 0.00 O ATOM 571 CB SER A 38 -16.018 -8.369 -13.399 1.00 0.00 C ATOM 572 OG SER A 38 -17.346 -8.767 -13.092 1.00 0.00 O ATOM 0 H SER A 38 -15.853 -9.622 -11.222 1.00 0.00 H new ATOM 0 HA SER A 38 -15.319 -10.310 -13.874 1.00 0.00 H new ATOM 0 HB2 SER A 38 -15.732 -7.512 -12.790 1.00 0.00 H new ATOM 0 HB3 SER A 38 -15.950 -8.057 -14.441 1.00 0.00 H new ATOM 0 HG SER A 38 -17.958 -8.019 -13.256 1.00 0.00 H new ATOM 578 N LEU A 39 -12.858 -8.673 -12.354 1.00 0.00 N ATOM 579 CA LEU A 39 -11.445 -8.527 -12.517 1.00 0.00 C ATOM 580 C LEU A 39 -10.567 -9.721 -12.362 1.00 0.00 C ATOM 581 O LEU A 39 -9.400 -9.531 -12.022 1.00 0.00 O ATOM 582 CB LEU A 39 -11.012 -7.574 -11.390 1.00 0.00 C ATOM 583 CG LEU A 39 -11.568 -6.146 -11.518 1.00 0.00 C ATOM 584 CD1 LEU A 39 -11.328 -5.239 -10.299 1.00 0.00 C ATOM 585 CD2 LEU A 39 -10.969 -5.478 -12.767 1.00 0.00 C ATOM 0 H LEU A 39 -13.205 -8.384 -11.439 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.317 -8.217 -13.554 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.331 -7.991 -10.435 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.923 -7.527 -11.369 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.649 -6.260 -11.594 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.757 -4.255 -10.488 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.800 -5.678 -9.420 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.257 -5.140 -10.124 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.361 -4.465 -12.861 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.884 -5.440 -12.674 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.237 -6.055 -13.652 1.00 0.00 H new ATOM 597 N GLY A 40 -11.139 -10.932 -12.480 1.00 0.00 N ATOM 598 CA GLY A 40 -10.367 -12.135 -12.529 1.00 0.00 C ATOM 599 C GLY A 40 -10.175 -12.830 -11.225 1.00 0.00 C ATOM 600 O GLY A 40 -9.587 -13.908 -11.156 1.00 0.00 O ATOM 0 H GLY A 40 -12.146 -11.079 -12.542 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.848 -12.826 -13.221 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.386 -11.900 -12.943 1.00 0.00 H new ATOM 604 N GLN A 41 -10.644 -12.285 -10.088 1.00 0.00 N ATOM 605 CA GLN A 41 -10.246 -12.732 -8.789 1.00 0.00 C ATOM 606 C GLN A 41 -11.192 -13.739 -8.232 1.00 0.00 C ATOM 607 O GLN A 41 -12.341 -13.836 -8.659 1.00 0.00 O ATOM 608 CB GLN A 41 -10.144 -11.543 -7.819 1.00 0.00 C ATOM 609 CG GLN A 41 -9.226 -10.470 -8.407 1.00 0.00 C ATOM 610 CD GLN A 41 -8.914 -9.169 -7.682 1.00 0.00 C ATOM 611 OE1 GLN A 41 -9.444 -8.899 -6.605 1.00 0.00 O ATOM 612 NE2 GLN A 41 -8.005 -8.328 -8.244 1.00 0.00 N ATOM 0 H GLN A 41 -11.315 -11.517 -10.071 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.270 -13.204 -8.900 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.134 -11.126 -7.635 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.756 -11.879 -6.857 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.269 -10.953 -8.604 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.649 -10.194 -9.373 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.574 -8.566 -9.137 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.754 -7.459 -7.772 1.00 0.00 H new ATOM 621 N ASN A 42 -10.778 -14.459 -7.174 1.00 0.00 N ATOM 622 CA ASN A 42 -11.571 -15.464 -6.538 1.00 0.00 C ATOM 623 C ASN A 42 -11.549 -15.339 -5.054 1.00 0.00 C ATOM 624 O ASN A 42 -10.843 -16.111 -4.407 1.00 0.00 O ATOM 625 CB ASN A 42 -10.958 -16.853 -6.784 1.00 0.00 C ATOM 626 CG ASN A 42 -11.135 -17.216 -8.252 1.00 0.00 C ATOM 627 OD1 ASN A 42 -12.268 -17.559 -8.585 1.00 0.00 O ATOM 628 ND2 ASN A 42 -10.023 -17.229 -9.034 1.00 0.00 N ATOM 0 H ASN A 42 -9.860 -14.337 -6.747 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.575 -15.344 -6.944 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.900 -16.850 -6.521 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -11.442 -17.596 -6.151 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -10.083 -17.547 -10.001 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -9.128 -16.921 -8.653 1.00 0.00 H new ATOM 635 N PRO A 43 -12.350 -14.502 -4.464 1.00 0.00 N ATOM 636 CA PRO A 43 -12.514 -14.536 -3.040 1.00 0.00 C ATOM 637 C PRO A 43 -13.510 -15.521 -2.530 1.00 0.00 C ATOM 638 O PRO A 43 -14.182 -16.157 -3.340 1.00 0.00 O ATOM 639 CB PRO A 43 -12.982 -13.147 -2.614 1.00 0.00 C ATOM 640 CG PRO A 43 -13.761 -12.709 -3.865 1.00 0.00 C ATOM 641 CD PRO A 43 -12.983 -13.324 -5.039 1.00 0.00 C ATOM 0 HA PRO A 43 -11.553 -14.841 -2.625 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.612 -13.178 -1.725 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.149 -12.480 -2.392 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -14.789 -13.069 -3.838 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -13.806 -11.623 -3.944 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.646 -13.589 -5.862 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -12.244 -12.628 -5.437 1.00 0.00 H new ATOM 649 N THR A 44 -13.646 -15.720 -1.207 1.00 0.00 N ATOM 650 CA THR A 44 -14.638 -16.530 -0.570 1.00 0.00 C ATOM 651 C THR A 44 -15.394 -15.575 0.288 1.00 0.00 C ATOM 652 O THR A 44 -15.049 -14.402 0.427 1.00 0.00 O ATOM 653 CB THR A 44 -14.162 -17.652 0.304 1.00 0.00 C ATOM 654 OG1 THR A 44 -12.887 -17.425 0.885 1.00 0.00 O ATOM 655 CG2 THR A 44 -13.967 -18.860 -0.629 1.00 0.00 C ATOM 0 H THR A 44 -13.016 -15.282 -0.534 1.00 0.00 H new ATOM 0 HA THR A 44 -15.194 -17.037 -1.358 1.00 0.00 H new ATOM 0 HB THR A 44 -14.890 -17.778 1.106 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.640 -18.193 1.442 1.00 0.00 H new ATOM 0 HG21 THR A 44 -13.619 -19.715 -0.049 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.915 -19.107 -1.107 1.00 0.00 H new ATOM 0 HG23 THR A 44 -13.229 -18.615 -1.393 1.00 0.00 H new ATOM 663 N GLU A 45 -16.542 -16.012 0.835 1.00 0.00 N ATOM 664 CA GLU A 45 -17.503 -15.092 1.358 1.00 0.00 C ATOM 665 C GLU A 45 -17.077 -14.582 2.692 1.00 0.00 C ATOM 666 O GLU A 45 -17.304 -13.464 3.150 1.00 0.00 O ATOM 667 CB GLU A 45 -18.920 -15.690 1.365 1.00 0.00 C ATOM 668 CG GLU A 45 -20.186 -14.835 1.454 1.00 0.00 C ATOM 669 CD GLU A 45 -20.557 -14.376 0.052 1.00 0.00 C ATOM 670 OE1 GLU A 45 -20.011 -13.360 -0.455 1.00 0.00 O ATOM 671 OE2 GLU A 45 -21.467 -15.035 -0.519 1.00 0.00 O ATOM 0 H GLU A 45 -16.804 -16.995 0.915 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.549 -14.231 0.692 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -19.010 -16.282 0.454 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.958 -16.386 2.203 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -21.002 -15.410 1.893 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -20.018 -13.975 2.102 1.00 0.00 H new ATOM 678 N ALA A 46 -16.347 -15.403 3.468 1.00 0.00 N ATOM 679 CA ALA A 46 -15.689 -15.104 4.703 1.00 0.00 C ATOM 680 C ALA A 46 -14.482 -14.252 4.513 1.00 0.00 C ATOM 681 O ALA A 46 -14.280 -13.430 5.406 1.00 0.00 O ATOM 682 CB ALA A 46 -15.486 -16.303 5.645 1.00 0.00 C ATOM 0 H ALA A 46 -16.204 -16.377 3.200 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.399 -14.491 5.259 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.980 -15.972 6.552 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -16.455 -16.729 5.906 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.880 -17.059 5.146 1.00 0.00 H new ATOM 688 N GLU A 47 -13.855 -14.302 3.324 1.00 0.00 N ATOM 689 CA GLU A 47 -12.819 -13.368 3.010 1.00 0.00 C ATOM 690 C GLU A 47 -13.283 -11.984 2.713 1.00 0.00 C ATOM 691 O GLU A 47 -12.640 -11.007 3.093 1.00 0.00 O ATOM 692 CB GLU A 47 -11.948 -13.934 1.876 1.00 0.00 C ATOM 693 CG GLU A 47 -10.511 -13.422 2.004 1.00 0.00 C ATOM 694 CD GLU A 47 -9.533 -14.287 1.222 1.00 0.00 C ATOM 695 OE1 GLU A 47 -9.765 -14.588 0.020 1.00 0.00 O ATOM 696 OE2 GLU A 47 -8.506 -14.686 1.833 1.00 0.00 O ATOM 0 H GLU A 47 -14.061 -14.979 2.589 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.225 -13.251 3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.958 -15.023 1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.361 -13.642 0.911 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.457 -12.395 1.643 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.223 -13.406 3.055 1.00 0.00 H new ATOM 703 N LEU A 48 -14.445 -11.830 2.052 1.00 0.00 N ATOM 704 CA LEU A 48 -15.076 -10.567 1.827 1.00 0.00 C ATOM 705 C LEU A 48 -15.732 -9.994 3.037 1.00 0.00 C ATOM 706 O LEU A 48 -15.725 -8.790 3.288 1.00 0.00 O ATOM 707 CB LEU A 48 -16.202 -10.862 0.822 1.00 0.00 C ATOM 708 CG LEU A 48 -15.746 -11.111 -0.625 1.00 0.00 C ATOM 709 CD1 LEU A 48 -16.680 -11.964 -1.500 1.00 0.00 C ATOM 710 CD2 LEU A 48 -15.368 -9.832 -1.390 1.00 0.00 C ATOM 0 H LEU A 48 -14.964 -12.615 1.660 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.320 -9.853 1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -16.754 -11.737 1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -16.899 -10.024 0.826 1.00 0.00 H new ATOM 0 HG LEU A 48 -14.851 -11.709 -0.455 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -16.250 -12.068 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.799 -12.950 -1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.653 -11.479 -1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -15.057 -10.092 -2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -16.230 -9.166 -1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -14.548 -9.330 -0.876 1.00 0.00 H new ATOM 722 N GLN A 49 -16.313 -10.847 3.899 1.00 0.00 N ATOM 723 CA GLN A 49 -16.603 -10.471 5.248 1.00 0.00 C ATOM 724 C GLN A 49 -15.456 -9.931 6.031 1.00 0.00 C ATOM 725 O GLN A 49 -15.536 -8.895 6.690 1.00 0.00 O ATOM 726 CB GLN A 49 -17.081 -11.726 5.998 1.00 0.00 C ATOM 727 CG GLN A 49 -17.892 -11.479 7.271 1.00 0.00 C ATOM 728 CD GLN A 49 -18.571 -12.791 7.641 1.00 0.00 C ATOM 729 OE1 GLN A 49 -19.745 -13.062 7.395 1.00 0.00 O ATOM 730 NE2 GLN A 49 -17.742 -13.666 8.270 1.00 0.00 N ATOM 0 H GLN A 49 -16.583 -11.801 3.661 1.00 0.00 H new ATOM 0 HA GLN A 49 -17.341 -9.672 5.170 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -17.686 -12.324 5.316 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -16.208 -12.324 6.258 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -17.244 -11.141 8.079 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -18.633 -10.696 7.108 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -16.774 -13.406 8.457 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -18.088 -14.582 8.554 1.00 0.00 H new ATOM 739 N ASP A 50 -14.243 -10.508 5.969 1.00 0.00 N ATOM 740 CA ASP A 50 -13.054 -10.042 6.614 1.00 0.00 C ATOM 741 C ASP A 50 -12.589 -8.668 6.273 1.00 0.00 C ATOM 742 O ASP A 50 -12.427 -7.858 7.185 1.00 0.00 O ATOM 743 CB ASP A 50 -11.945 -11.096 6.461 1.00 0.00 C ATOM 744 CG ASP A 50 -10.788 -10.823 7.411 1.00 0.00 C ATOM 745 OD1 ASP A 50 -10.989 -11.150 8.611 1.00 0.00 O ATOM 746 OD2 ASP A 50 -9.629 -10.494 7.043 1.00 0.00 O ATOM 0 H ASP A 50 -14.082 -11.359 5.431 1.00 0.00 H new ATOM 0 HA ASP A 50 -13.326 -9.922 7.663 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.353 -12.088 6.657 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.582 -11.098 5.433 1.00 0.00 H new ATOM 751 N MET A 51 -12.439 -8.293 4.991 1.00 0.00 N ATOM 752 CA MET A 51 -12.418 -6.972 4.444 1.00 0.00 C ATOM 753 C MET A 51 -13.465 -5.989 4.843 1.00 0.00 C ATOM 754 O MET A 51 -13.117 -4.886 5.262 1.00 0.00 O ATOM 755 CB MET A 51 -12.466 -7.092 2.912 1.00 0.00 C ATOM 756 CG MET A 51 -11.446 -7.923 2.130 1.00 0.00 C ATOM 757 SD MET A 51 -11.484 -7.874 0.313 1.00 0.00 S ATOM 758 CE MET A 51 -11.206 -9.642 0.008 1.00 0.00 C ATOM 0 H MET A 51 -12.320 -8.994 4.260 1.00 0.00 H new ATOM 0 HA MET A 51 -11.504 -6.554 4.867 1.00 0.00 H new ATOM 0 HB2 MET A 51 -13.451 -7.484 2.658 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.415 -6.078 2.516 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.452 -7.609 2.448 1.00 0.00 H new ATOM 0 HG3 MET A 51 -11.565 -8.963 2.435 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.895 -9.788 -1.027 1.00 0.00 H new ATOM 0 HE2 MET A 51 -10.427 -10.008 0.676 1.00 0.00 H new ATOM 0 HE3 MET A 51 -12.129 -10.192 0.191 1.00 0.00 H new ATOM 768 N ILE A 52 -14.727 -6.410 5.041 1.00 0.00 N ATOM 769 CA ILE A 52 -15.802 -5.633 5.575 1.00 0.00 C ATOM 770 C ILE A 52 -15.448 -5.352 6.995 1.00 0.00 C ATOM 771 O ILE A 52 -15.120 -4.228 7.371 1.00 0.00 O ATOM 772 CB ILE A 52 -17.156 -6.255 5.403 1.00 0.00 C ATOM 773 CG1 ILE A 52 -17.615 -6.236 3.935 1.00 0.00 C ATOM 774 CG2 ILE A 52 -18.139 -5.411 6.231 1.00 0.00 C ATOM 775 CD1 ILE A 52 -18.910 -7.007 3.686 1.00 0.00 C ATOM 0 H ILE A 52 -15.015 -7.361 4.811 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.907 -4.704 5.014 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.119 -7.296 5.724 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -17.752 -5.202 3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -16.826 -6.657 3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -19.143 -5.826 6.138 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -17.837 -5.424 7.278 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.135 -4.384 5.865 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -19.171 -6.949 2.629 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -18.772 -8.051 3.969 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -19.713 -6.572 4.282 1.00 0.00 H new ATOM 787 N ASN A 53 -15.314 -6.418 7.804 1.00 0.00 N ATOM 788 CA ASN A 53 -14.977 -6.391 9.194 1.00 0.00 C ATOM 789 C ASN A 53 -13.695 -5.767 9.627 1.00 0.00 C ATOM 790 O ASN A 53 -13.430 -5.605 10.817 1.00 0.00 O ATOM 791 CB ASN A 53 -14.757 -7.826 9.702 1.00 0.00 C ATOM 792 CG ASN A 53 -16.091 -8.511 9.962 1.00 0.00 C ATOM 793 OD1 ASN A 53 -17.163 -7.920 10.085 1.00 0.00 O ATOM 794 ND2 ASN A 53 -15.986 -9.858 10.110 1.00 0.00 N ATOM 0 H ASN A 53 -15.452 -7.368 7.460 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.815 -5.809 9.577 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.187 -8.395 8.967 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.167 -7.807 10.618 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.813 -10.413 10.330 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.080 -10.314 10.001 1.00 0.00 H new ATOM 801 N GLU A 54 -12.829 -5.348 8.687 1.00 0.00 N ATOM 802 CA GLU A 54 -11.712 -4.478 8.888 1.00 0.00 C ATOM 803 C GLU A 54 -12.045 -3.120 9.403 1.00 0.00 C ATOM 804 O GLU A 54 -11.510 -2.656 10.409 1.00 0.00 O ATOM 805 CB GLU A 54 -10.802 -4.356 7.654 1.00 0.00 C ATOM 806 CG GLU A 54 -9.404 -3.780 7.885 1.00 0.00 C ATOM 807 CD GLU A 54 -8.657 -3.766 6.559 1.00 0.00 C ATOM 808 OE1 GLU A 54 -9.009 -2.932 5.683 1.00 0.00 O ATOM 809 OE2 GLU A 54 -7.643 -4.481 6.340 1.00 0.00 O ATOM 0 H GLU A 54 -12.918 -5.640 7.714 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.163 -4.986 9.681 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.693 -5.347 7.212 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.309 -3.733 6.918 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.473 -2.771 8.290 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.864 -4.381 8.617 1.00 0.00 H new ATOM 816 N VAL A 55 -13.013 -2.546 8.666 1.00 0.00 N ATOM 817 CA VAL A 55 -13.600 -1.274 8.954 1.00 0.00 C ATOM 818 C VAL A 55 -14.852 -1.378 9.756 1.00 0.00 C ATOM 819 O VAL A 55 -15.346 -0.478 10.433 1.00 0.00 O ATOM 820 CB VAL A 55 -13.702 -0.421 7.724 1.00 0.00 C ATOM 821 CG1 VAL A 55 -14.751 -0.946 6.730 1.00 0.00 C ATOM 822 CG2 VAL A 55 -13.882 1.054 8.119 1.00 0.00 C ATOM 0 H VAL A 55 -13.403 -2.988 7.833 1.00 0.00 H new ATOM 0 HA VAL A 55 -12.919 -0.739 9.616 1.00 0.00 H new ATOM 0 HB VAL A 55 -12.764 -0.484 7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -14.785 -0.293 5.858 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -14.483 -1.955 6.417 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -15.730 -0.963 7.209 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -13.955 1.665 7.219 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -14.793 1.164 8.708 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.026 1.379 8.710 1.00 0.00 H new ATOM 832 N ASP A 56 -15.568 -2.516 9.705 1.00 0.00 N ATOM 833 CA ASP A 56 -16.796 -2.734 10.403 1.00 0.00 C ATOM 834 C ASP A 56 -16.514 -3.250 11.772 1.00 0.00 C ATOM 835 O ASP A 56 -16.618 -4.431 12.102 1.00 0.00 O ATOM 836 CB ASP A 56 -17.771 -3.611 9.598 1.00 0.00 C ATOM 837 CG ASP A 56 -19.138 -3.667 10.265 1.00 0.00 C ATOM 838 OD1 ASP A 56 -19.525 -2.619 10.848 1.00 0.00 O ATOM 839 OD2 ASP A 56 -19.831 -4.702 10.073 1.00 0.00 O ATOM 0 H ASP A 56 -15.276 -3.321 9.151 1.00 0.00 H new ATOM 0 HA ASP A 56 -17.313 -1.782 10.519 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -17.872 -3.214 8.588 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -17.367 -4.619 9.506 1.00 0.00 H new ATOM 844 N ALA A 57 -16.055 -2.417 12.722 1.00 0.00 N ATOM 845 CA ALA A 57 -15.648 -2.763 14.049 1.00 0.00 C ATOM 846 C ALA A 57 -16.840 -2.866 14.936 1.00 0.00 C ATOM 847 O ALA A 57 -16.870 -3.602 15.922 1.00 0.00 O ATOM 848 CB ALA A 57 -14.673 -1.713 14.607 1.00 0.00 C ATOM 0 H ALA A 57 -15.961 -1.417 12.546 1.00 0.00 H new ATOM 0 HA ALA A 57 -15.140 -3.727 14.014 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -14.375 -1.994 15.617 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -13.790 -1.661 13.969 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -15.162 -0.739 14.630 1.00 0.00 H new ATOM 854 N ASP A 58 -17.957 -2.286 14.462 1.00 0.00 N ATOM 855 CA ASP A 58 -19.220 -2.093 15.105 1.00 0.00 C ATOM 856 C ASP A 58 -20.277 -3.090 14.774 1.00 0.00 C ATOM 857 O ASP A 58 -21.303 -3.226 15.438 1.00 0.00 O ATOM 858 CB ASP A 58 -19.672 -0.628 14.978 1.00 0.00 C ATOM 859 CG ASP A 58 -19.719 -0.151 13.533 1.00 0.00 C ATOM 860 OD1 ASP A 58 -18.713 -0.134 12.775 1.00 0.00 O ATOM 861 OD2 ASP A 58 -20.830 0.199 13.054 1.00 0.00 O ATOM 0 H ASP A 58 -17.973 -1.909 13.515 1.00 0.00 H new ATOM 0 HA ASP A 58 -19.052 -2.301 16.162 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -20.660 -0.517 15.425 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -18.992 0.008 15.544 1.00 0.00 H new ATOM 866 N GLY A 59 -20.071 -3.962 13.771 1.00 0.00 N ATOM 867 CA GLY A 59 -20.834 -5.162 13.619 1.00 0.00 C ATOM 868 C GLY A 59 -22.112 -5.126 12.854 1.00 0.00 C ATOM 869 O GLY A 59 -23.136 -5.433 13.463 1.00 0.00 O ATOM 0 H GLY A 59 -19.360 -3.831 13.051 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -20.189 -5.901 13.144 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -21.062 -5.533 14.618 1.00 0.00 H new ATOM 873 N ASN A 60 -22.132 -4.740 11.566 1.00 0.00 N ATOM 874 CA ASN A 60 -23.354 -4.676 10.825 1.00 0.00 C ATOM 875 C ASN A 60 -23.582 -5.764 9.833 1.00 0.00 C ATOM 876 O ASN A 60 -24.661 -6.353 9.791 1.00 0.00 O ATOM 877 CB ASN A 60 -23.603 -3.338 10.108 1.00 0.00 C ATOM 878 CG ASN A 60 -23.516 -2.250 11.168 1.00 0.00 C ATOM 879 OD1 ASN A 60 -22.559 -1.509 11.388 1.00 0.00 O ATOM 880 ND2 ASN A 60 -24.620 -2.209 11.961 1.00 0.00 N ATOM 0 H ASN A 60 -21.302 -4.472 11.037 1.00 0.00 H new ATOM 0 HA ASN A 60 -24.069 -4.802 11.638 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -22.863 -3.175 9.325 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -24.581 -3.333 9.628 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -24.660 -1.560 12.747 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -25.408 -2.828 11.770 1.00 0.00 H new ATOM 887 N GLY A 61 -22.520 -6.066 9.065 1.00 0.00 N ATOM 888 CA GLY A 61 -22.425 -7.078 8.060 1.00 0.00 C ATOM 889 C GLY A 61 -22.461 -6.597 6.650 1.00 0.00 C ATOM 890 O GLY A 61 -22.217 -7.371 5.725 1.00 0.00 O ATOM 0 H GLY A 61 -21.645 -5.550 9.159 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -21.497 -7.629 8.212 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -23.242 -7.784 8.204 1.00 0.00 H new ATOM 894 N THR A 62 -22.803 -5.306 6.491 1.00 0.00 N ATOM 895 CA THR A 62 -22.748 -4.589 5.255 1.00 0.00 C ATOM 896 C THR A 62 -21.832 -3.456 5.566 1.00 0.00 C ATOM 897 O THR A 62 -21.492 -3.186 6.717 1.00 0.00 O ATOM 898 CB THR A 62 -24.107 -4.085 4.867 1.00 0.00 C ATOM 899 OG1 THR A 62 -24.740 -3.311 5.876 1.00 0.00 O ATOM 900 CG2 THR A 62 -25.010 -5.247 4.422 1.00 0.00 C ATOM 0 H THR A 62 -23.135 -4.732 7.266 1.00 0.00 H new ATOM 0 HA THR A 62 -22.410 -5.200 4.418 1.00 0.00 H new ATOM 0 HB THR A 62 -23.950 -3.409 4.027 1.00 0.00 H new ATOM 0 HG1 THR A 62 -25.618 -3.014 5.558 1.00 0.00 H new ATOM 0 HG21 THR A 62 -25.991 -4.860 4.145 1.00 0.00 H new ATOM 0 HG22 THR A 62 -24.562 -5.748 3.564 1.00 0.00 H new ATOM 0 HG23 THR A 62 -25.119 -5.958 5.241 1.00 0.00 H new ATOM 908 N ILE A 63 -21.354 -2.748 4.527 1.00 0.00 N ATOM 909 CA ILE A 63 -20.619 -1.529 4.665 1.00 0.00 C ATOM 910 C ILE A 63 -21.443 -0.460 4.034 1.00 0.00 C ATOM 911 O ILE A 63 -21.958 -0.620 2.929 1.00 0.00 O ATOM 912 CB ILE A 63 -19.180 -1.613 4.249 1.00 0.00 C ATOM 913 CG1 ILE A 63 -18.480 -0.308 4.663 1.00 0.00 C ATOM 914 CG2 ILE A 63 -19.120 -2.048 2.775 1.00 0.00 C ATOM 915 CD1 ILE A 63 -17.019 -0.312 4.213 1.00 0.00 C ATOM 0 H ILE A 63 -21.484 -3.034 3.557 1.00 0.00 H new ATOM 0 HA ILE A 63 -20.477 -1.277 5.716 1.00 0.00 H new ATOM 0 HB ILE A 63 -18.603 -2.384 4.760 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -18.999 0.544 4.223 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -18.532 -0.189 5.745 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -18.079 -2.114 2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -19.596 -3.022 2.664 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -19.642 -1.317 2.158 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.542 0.620 4.516 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -16.499 -1.152 4.674 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -16.973 -0.407 3.128 1.00 0.00 H new ATOM 927 N ASP A 64 -21.722 0.648 4.743 1.00 0.00 N ATOM 928 CA ASP A 64 -22.436 1.835 4.390 1.00 0.00 C ATOM 929 C ASP A 64 -21.491 2.868 3.879 1.00 0.00 C ATOM 930 O ASP A 64 -20.264 2.775 3.882 1.00 0.00 O ATOM 931 CB ASP A 64 -23.273 2.369 5.564 1.00 0.00 C ATOM 932 CG ASP A 64 -22.521 2.310 6.887 1.00 0.00 C ATOM 933 OD1 ASP A 64 -22.161 1.228 7.422 1.00 0.00 O ATOM 934 OD2 ASP A 64 -22.366 3.378 7.537 1.00 0.00 O ATOM 0 H ASP A 64 -21.395 0.714 5.707 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.138 1.585 3.595 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -23.564 3.399 5.360 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -24.192 1.788 5.645 1.00 0.00 H new ATOM 939 N PHE A 65 -22.096 3.950 3.359 1.00 0.00 N ATOM 940 CA PHE A 65 -21.342 5.060 2.864 1.00 0.00 C ATOM 941 C PHE A 65 -20.510 5.794 3.859 1.00 0.00 C ATOM 942 O PHE A 65 -19.326 5.977 3.583 1.00 0.00 O ATOM 943 CB PHE A 65 -22.187 5.967 1.954 1.00 0.00 C ATOM 944 CG PHE A 65 -21.430 7.104 1.358 1.00 0.00 C ATOM 945 CD1 PHE A 65 -20.503 6.794 0.391 1.00 0.00 C ATOM 946 CD2 PHE A 65 -21.350 8.382 1.859 1.00 0.00 C ATOM 947 CE1 PHE A 65 -19.601 7.713 -0.090 1.00 0.00 C ATOM 948 CE2 PHE A 65 -20.605 9.388 1.289 1.00 0.00 C ATOM 949 CZ PHE A 65 -19.599 8.979 0.447 1.00 0.00 C ATOM 0 H PHE A 65 -23.107 4.057 3.281 1.00 0.00 H new ATOM 0 HA PHE A 65 -20.573 4.606 2.238 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -22.610 5.365 1.150 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -23.024 6.363 2.529 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -20.483 5.790 -0.006 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -21.907 8.610 2.756 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -18.908 7.446 -0.874 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -20.798 10.431 1.490 1.00 0.00 H new ATOM 0 HZ PHE A 65 -18.797 9.660 0.204 1.00 0.00 H new ATOM 959 N PRO A 66 -20.926 6.151 5.038 1.00 0.00 N ATOM 960 CA PRO A 66 -20.084 6.805 5.996 1.00 0.00 C ATOM 961 C PRO A 66 -18.974 5.912 6.432 1.00 0.00 C ATOM 962 O PRO A 66 -17.869 6.383 6.698 1.00 0.00 O ATOM 963 CB PRO A 66 -20.911 7.174 7.225 1.00 0.00 C ATOM 964 CG PRO A 66 -22.255 7.456 6.534 1.00 0.00 C ATOM 965 CD PRO A 66 -22.295 6.319 5.501 1.00 0.00 C ATOM 0 HA PRO A 66 -19.664 7.695 5.527 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.972 6.363 7.950 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.518 8.043 7.752 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -23.094 7.412 7.229 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -22.280 8.440 6.066 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -22.672 5.399 5.948 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -22.959 6.567 4.673 1.00 0.00 H new ATOM 973 N GLU A 67 -19.089 4.573 6.385 1.00 0.00 N ATOM 974 CA GLU A 67 -18.014 3.667 6.645 1.00 0.00 C ATOM 975 C GLU A 67 -17.003 3.456 5.571 1.00 0.00 C ATOM 976 O GLU A 67 -15.807 3.363 5.843 1.00 0.00 O ATOM 977 CB GLU A 67 -18.595 2.353 7.194 1.00 0.00 C ATOM 978 CG GLU A 67 -17.623 1.655 8.146 1.00 0.00 C ATOM 979 CD GLU A 67 -18.339 0.921 9.271 1.00 0.00 C ATOM 980 OE1 GLU A 67 -18.987 1.584 10.125 1.00 0.00 O ATOM 981 OE2 GLU A 67 -18.423 -0.336 9.258 1.00 0.00 O ATOM 0 H GLU A 67 -19.965 4.103 6.157 1.00 0.00 H new ATOM 0 HA GLU A 67 -17.396 4.163 7.393 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.530 2.559 7.716 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.833 1.687 6.365 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -17.014 0.947 7.584 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -16.943 2.393 8.572 1.00 0.00 H new ATOM 988 N PHE A 68 -17.481 3.312 4.322 1.00 0.00 N ATOM 989 CA PHE A 68 -16.697 3.550 3.150 1.00 0.00 C ATOM 990 C PHE A 68 -15.974 4.853 3.133 1.00 0.00 C ATOM 991 O PHE A 68 -14.842 4.825 2.653 1.00 0.00 O ATOM 992 CB PHE A 68 -17.524 3.236 1.892 1.00 0.00 C ATOM 993 CG PHE A 68 -16.685 3.257 0.661 1.00 0.00 C ATOM 994 CD1 PHE A 68 -16.421 4.422 -0.019 1.00 0.00 C ATOM 995 CD2 PHE A 68 -16.244 2.061 0.144 1.00 0.00 C ATOM 996 CE1 PHE A 68 -15.750 4.335 -1.216 1.00 0.00 C ATOM 997 CE2 PHE A 68 -15.603 1.962 -1.068 1.00 0.00 C ATOM 998 CZ PHE A 68 -15.379 3.128 -1.761 1.00 0.00 C ATOM 0 H PHE A 68 -18.438 3.022 4.122 1.00 0.00 H new ATOM 0 HA PHE A 68 -15.862 2.850 3.164 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -17.990 2.256 1.998 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -18.330 3.963 1.795 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -16.732 5.378 0.376 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -16.409 1.160 0.716 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -15.506 5.244 -1.746 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -15.288 1.006 -1.460 1.00 0.00 H new ATOM 0 HZ PHE A 68 -14.911 3.096 -2.734 1.00 0.00 H new ATOM 1008 N LEU A 69 -16.520 5.957 3.673 1.00 0.00 N ATOM 1009 CA LEU A 69 -16.035 7.301 3.615 1.00 0.00 C ATOM 1010 C LEU A 69 -14.919 7.371 4.598 1.00 0.00 C ATOM 1011 O LEU A 69 -13.854 7.854 4.216 1.00 0.00 O ATOM 1012 CB LEU A 69 -17.145 8.329 3.893 1.00 0.00 C ATOM 1013 CG LEU A 69 -16.802 9.801 3.610 1.00 0.00 C ATOM 1014 CD1 LEU A 69 -16.208 10.030 2.210 1.00 0.00 C ATOM 1015 CD2 LEU A 69 -17.964 10.789 3.810 1.00 0.00 C ATOM 0 H LEU A 69 -17.389 5.900 4.203 1.00 0.00 H new ATOM 0 HA LEU A 69 -15.682 7.556 2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -18.016 8.061 3.296 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -17.437 8.242 4.940 1.00 0.00 H new ATOM 0 HG LEU A 69 -16.048 10.012 4.369 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.989 11.089 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -15.289 9.454 2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -16.925 9.709 1.454 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -17.624 11.800 3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -18.784 10.526 3.142 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -18.308 10.742 4.843 1.00 0.00 H new ATOM 1027 N THR A 70 -15.042 6.910 5.856 1.00 0.00 N ATOM 1028 CA THR A 70 -14.062 6.698 6.875 1.00 0.00 C ATOM 1029 C THR A 70 -12.949 5.809 6.437 1.00 0.00 C ATOM 1030 O THR A 70 -11.787 5.954 6.814 1.00 0.00 O ATOM 1031 CB THR A 70 -14.681 6.242 8.164 1.00 0.00 C ATOM 1032 OG1 THR A 70 -15.691 7.157 8.563 1.00 0.00 O ATOM 1033 CG2 THR A 70 -13.645 6.157 9.298 1.00 0.00 C ATOM 0 H THR A 70 -15.966 6.650 6.202 1.00 0.00 H new ATOM 0 HA THR A 70 -13.608 7.670 7.066 1.00 0.00 H new ATOM 0 HB THR A 70 -15.097 5.250 7.987 1.00 0.00 H new ATOM 0 HG1 THR A 70 -16.518 6.965 8.074 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.134 5.823 10.213 1.00 0.00 H new ATOM 0 HG22 THR A 70 -12.864 5.448 9.025 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.202 7.140 9.461 1.00 0.00 H new ATOM 1041 N MET A 71 -13.212 4.761 5.637 1.00 0.00 N ATOM 1042 CA MET A 71 -12.352 3.726 5.153 1.00 0.00 C ATOM 1043 C MET A 71 -11.342 4.287 4.212 1.00 0.00 C ATOM 1044 O MET A 71 -10.120 4.285 4.350 1.00 0.00 O ATOM 1045 CB MET A 71 -13.024 2.530 4.456 1.00 0.00 C ATOM 1046 CG MET A 71 -12.017 1.449 4.058 1.00 0.00 C ATOM 1047 SD MET A 71 -12.703 -0.174 3.611 1.00 0.00 S ATOM 1048 CE MET A 71 -13.663 0.297 2.143 1.00 0.00 C ATOM 0 H MET A 71 -14.159 4.626 5.284 1.00 0.00 H new ATOM 0 HA MET A 71 -11.910 3.330 6.067 1.00 0.00 H new ATOM 0 HB2 MET A 71 -13.773 2.099 5.120 1.00 0.00 H new ATOM 0 HB3 MET A 71 -13.550 2.879 3.567 1.00 0.00 H new ATOM 0 HG2 MET A 71 -11.436 1.818 3.213 1.00 0.00 H new ATOM 0 HG3 MET A 71 -11.322 1.309 4.886 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.142 -0.587 1.723 1.00 0.00 H new ATOM 0 HE2 MET A 71 -14.425 1.024 2.424 1.00 0.00 H new ATOM 0 HE3 MET A 71 -12.999 0.737 1.400 1.00 0.00 H new ATOM 1058 N MET A 72 -11.890 4.903 3.149 1.00 0.00 N ATOM 1059 CA MET A 72 -11.147 5.677 2.204 1.00 0.00 C ATOM 1060 C MET A 72 -10.432 6.894 2.680 1.00 0.00 C ATOM 1061 O MET A 72 -9.329 7.170 2.210 1.00 0.00 O ATOM 1062 CB MET A 72 -12.028 6.025 0.993 1.00 0.00 C ATOM 1063 CG MET A 72 -12.423 4.834 0.118 1.00 0.00 C ATOM 1064 SD MET A 72 -10.913 4.195 -0.667 1.00 0.00 S ATOM 1065 CE MET A 72 -11.845 2.991 -1.657 1.00 0.00 C ATOM 0 H MET A 72 -12.887 4.860 2.940 1.00 0.00 H new ATOM 0 HA MET A 72 -10.328 5.006 1.946 1.00 0.00 H new ATOM 0 HB2 MET A 72 -12.936 6.511 1.351 1.00 0.00 H new ATOM 0 HB3 MET A 72 -11.500 6.751 0.375 1.00 0.00 H new ATOM 0 HG2 MET A 72 -12.898 4.059 0.720 1.00 0.00 H new ATOM 0 HG3 MET A 72 -13.147 5.139 -0.638 1.00 0.00 H new ATOM 0 HE1 MET A 72 -11.154 2.405 -2.263 1.00 0.00 H new ATOM 0 HE2 MET A 72 -12.400 2.327 -0.994 1.00 0.00 H new ATOM 0 HE3 MET A 72 -12.542 3.518 -2.309 1.00 0.00 H new ATOM 1075 N ALA A 73 -10.972 7.571 3.709 1.00 0.00 N ATOM 1076 CA ALA A 73 -10.324 8.685 4.330 1.00 0.00 C ATOM 1077 C ALA A 73 -9.297 8.320 5.347 1.00 0.00 C ATOM 1078 O ALA A 73 -8.405 9.083 5.715 1.00 0.00 O ATOM 1079 CB ALA A 73 -11.393 9.616 4.924 1.00 0.00 C ATOM 0 H ALA A 73 -11.877 7.340 4.118 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.760 9.198 3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.909 10.469 5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.050 9.969 4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.979 9.071 5.665 1.00 0.00 H new ATOM 1234 N GLU A 83 0.833 17.084 -4.355 1.00 0.00 N ATOM 1235 CA GLU A 83 0.556 16.942 -5.750 1.00 0.00 C ATOM 1236 C GLU A 83 0.277 15.514 -6.071 1.00 0.00 C ATOM 1237 O GLU A 83 0.975 14.942 -6.906 1.00 0.00 O ATOM 1238 CB GLU A 83 1.500 17.633 -6.749 1.00 0.00 C ATOM 1239 CG GLU A 83 1.714 19.122 -6.468 1.00 0.00 C ATOM 1240 CD GLU A 83 0.705 20.000 -7.194 1.00 0.00 C ATOM 1241 OE1 GLU A 83 0.925 20.210 -8.416 1.00 0.00 O ATOM 1242 OE2 GLU A 83 -0.372 20.396 -6.672 1.00 0.00 O ATOM 0 HA GLU A 83 -0.343 17.536 -5.911 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.465 17.127 -6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 83 1.097 17.517 -7.755 1.00 0.00 H new ATOM 0 HG2 GLU A 83 1.641 19.301 -5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 83 2.722 19.405 -6.771 1.00 0.00 H new ATOM 1249 N GLU A 84 -0.788 14.941 -5.483 1.00 0.00 N ATOM 1250 CA GLU A 84 -1.266 13.614 -5.723 1.00 0.00 C ATOM 1251 C GLU A 84 -0.881 12.936 -6.993 1.00 0.00 C ATOM 1252 O GLU A 84 0.083 12.174 -7.030 1.00 0.00 O ATOM 1253 CB GLU A 84 -2.777 13.613 -5.437 1.00 0.00 C ATOM 1254 CG GLU A 84 -3.083 13.862 -3.959 1.00 0.00 C ATOM 1255 CD GLU A 84 -4.506 14.287 -3.629 1.00 0.00 C ATOM 1256 OE1 GLU A 84 -4.845 15.449 -3.981 1.00 0.00 O ATOM 1257 OE2 GLU A 84 -5.168 13.646 -2.770 1.00 0.00 O ATOM 0 H GLU A 84 -1.352 15.438 -4.794 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.727 12.963 -5.035 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.260 14.381 -6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.202 12.656 -5.738 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.861 12.950 -3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.402 14.631 -3.593 1.00 0.00 H new ATOM 1264 N ILE A 85 -1.512 13.194 -8.152 1.00 0.00 N ATOM 1265 CA ILE A 85 -1.293 12.521 -9.395 1.00 0.00 C ATOM 1266 C ILE A 85 0.051 12.701 -10.012 1.00 0.00 C ATOM 1267 O ILE A 85 0.619 11.797 -10.622 1.00 0.00 O ATOM 1268 CB ILE A 85 -2.299 12.756 -10.482 1.00 0.00 C ATOM 1269 CG1 ILE A 85 -2.278 14.172 -11.081 1.00 0.00 C ATOM 1270 CG2 ILE A 85 -3.630 12.466 -9.768 1.00 0.00 C ATOM 1271 CD1 ILE A 85 -3.483 14.391 -11.995 1.00 0.00 C ATOM 0 H ILE A 85 -2.223 13.922 -8.225 1.00 0.00 H new ATOM 0 HA ILE A 85 -1.400 11.501 -9.027 1.00 0.00 H new ATOM 0 HB ILE A 85 -2.102 12.130 -11.352 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.284 14.911 -10.280 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -1.357 14.320 -11.644 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.455 12.605 -10.466 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.631 11.439 -9.404 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.748 13.149 -8.927 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.448 15.399 -12.408 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.460 13.665 -12.808 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.402 14.265 -11.422 1.00 0.00 H new ATOM 1283 N ARG A 86 0.606 13.912 -9.827 1.00 0.00 N ATOM 1284 CA ARG A 86 1.949 14.086 -10.289 1.00 0.00 C ATOM 1285 C ARG A 86 3.013 13.298 -9.606 1.00 0.00 C ATOM 1286 O ARG A 86 3.719 12.536 -10.264 1.00 0.00 O ATOM 1287 CB ARG A 86 2.251 15.582 -10.098 1.00 0.00 C ATOM 1288 CG ARG A 86 1.370 16.545 -10.897 1.00 0.00 C ATOM 1289 CD ARG A 86 1.875 17.988 -10.962 1.00 0.00 C ATOM 1290 NE ARG A 86 0.983 18.784 -11.852 1.00 0.00 N ATOM 1291 CZ ARG A 86 -0.296 19.199 -11.616 1.00 0.00 C ATOM 1292 NH1 ARG A 86 -0.842 19.079 -10.371 1.00 0.00 N ATOM 1293 NH2 ARG A 86 -1.075 19.587 -12.668 1.00 0.00 N ATOM 0 H ARG A 86 0.164 14.720 -9.389 1.00 0.00 H new ATOM 0 HA ARG A 86 1.981 13.721 -11.316 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.152 15.821 -9.039 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.291 15.761 -10.369 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.273 16.165 -11.914 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.371 16.546 -10.460 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.894 18.424 -9.963 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.898 18.011 -11.339 1.00 0.00 H new ATOM 0 HE ARG A 86 1.379 19.053 -12.753 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.294 18.677 -9.610 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.798 19.391 -10.201 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.700 19.565 -13.616 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.032 19.899 -12.506 1.00 0.00 H new ATOM 1307 N GLU A 87 2.971 13.404 -8.266 1.00 0.00 N ATOM 1308 CA GLU A 87 3.835 12.618 -7.440 1.00 0.00 C ATOM 1309 C GLU A 87 3.595 11.152 -7.553 1.00 0.00 C ATOM 1310 O GLU A 87 4.519 10.355 -7.397 1.00 0.00 O ATOM 1311 CB GLU A 87 3.819 13.163 -6.002 1.00 0.00 C ATOM 1312 CG GLU A 87 4.622 12.334 -4.998 1.00 0.00 C ATOM 1313 CD GLU A 87 6.092 12.678 -5.187 1.00 0.00 C ATOM 1314 OE1 GLU A 87 6.585 12.707 -6.347 1.00 0.00 O ATOM 1315 OE2 GLU A 87 6.788 12.939 -4.169 1.00 0.00 O ATOM 0 H GLU A 87 2.345 14.028 -7.757 1.00 0.00 H new ATOM 0 HA GLU A 87 4.855 12.723 -7.811 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.210 14.180 -6.009 1.00 0.00 H new ATOM 0 HB3 GLU A 87 2.785 13.221 -5.661 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.305 12.555 -3.979 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.454 11.269 -5.160 1.00 0.00 H new ATOM 1322 N ALA A 88 2.360 10.724 -7.870 1.00 0.00 N ATOM 1323 CA ALA A 88 1.991 9.342 -7.857 1.00 0.00 C ATOM 1324 C ALA A 88 2.633 8.658 -9.014 1.00 0.00 C ATOM 1325 O ALA A 88 3.150 7.545 -8.930 1.00 0.00 O ATOM 1326 CB ALA A 88 0.460 9.328 -8.009 1.00 0.00 C ATOM 0 H ALA A 88 1.602 11.351 -8.141 1.00 0.00 H new ATOM 0 HA ALA A 88 2.306 8.830 -6.948 1.00 0.00 H new ATOM 0 HB1 ALA A 88 0.104 8.298 -8.007 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.007 9.870 -7.179 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.183 9.806 -8.949 1.00 0.00 H new ATOM 1332 N PHE A 89 2.725 9.391 -10.139 1.00 0.00 N ATOM 1333 CA PHE A 89 3.511 9.074 -11.290 1.00 0.00 C ATOM 1334 C PHE A 89 4.988 9.095 -11.089 1.00 0.00 C ATOM 1335 O PHE A 89 5.751 8.158 -11.321 1.00 0.00 O ATOM 1336 CB PHE A 89 3.242 9.994 -12.492 1.00 0.00 C ATOM 1337 CG PHE A 89 3.770 9.392 -13.748 1.00 0.00 C ATOM 1338 CD1 PHE A 89 5.040 9.791 -14.093 1.00 0.00 C ATOM 1339 CD2 PHE A 89 2.958 8.653 -14.576 1.00 0.00 C ATOM 1340 CE1 PHE A 89 5.586 9.209 -15.214 1.00 0.00 C ATOM 1341 CE2 PHE A 89 3.528 8.147 -15.720 1.00 0.00 C ATOM 1342 CZ PHE A 89 4.851 8.372 -16.020 1.00 0.00 C ATOM 0 H PHE A 89 2.213 10.266 -10.250 1.00 0.00 H new ATOM 0 HA PHE A 89 3.185 8.052 -11.484 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.170 10.168 -12.590 1.00 0.00 H new ATOM 0 HB3 PHE A 89 3.709 10.965 -12.324 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.581 10.524 -13.513 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.919 8.478 -14.338 1.00 0.00 H new ATOM 0 HE1 PHE A 89 6.616 9.414 -15.467 1.00 0.00 H new ATOM 0 HE2 PHE A 89 2.924 7.561 -16.397 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.306 7.898 -16.877 1.00 0.00 H new ATOM 1352 N ARG A 90 5.543 10.159 -10.483 1.00 0.00 N ATOM 1353 CA ARG A 90 6.910 10.255 -10.076 1.00 0.00 C ATOM 1354 C ARG A 90 7.438 9.153 -9.224 1.00 0.00 C ATOM 1355 O ARG A 90 8.554 8.656 -9.367 1.00 0.00 O ATOM 1356 CB ARG A 90 7.255 11.592 -9.397 1.00 0.00 C ATOM 1357 CG ARG A 90 8.740 11.960 -9.368 1.00 0.00 C ATOM 1358 CD ARG A 90 9.688 11.393 -8.310 1.00 0.00 C ATOM 1359 NE ARG A 90 9.073 11.715 -6.991 1.00 0.00 N ATOM 1360 CZ ARG A 90 9.769 11.564 -5.826 1.00 0.00 C ATOM 1361 NH1 ARG A 90 11.074 11.165 -5.796 1.00 0.00 N ATOM 1362 NH2 ARG A 90 9.179 11.704 -4.603 1.00 0.00 N ATOM 0 H ARG A 90 5.007 10.999 -10.265 1.00 0.00 H new ATOM 0 HA ARG A 90 7.410 10.173 -11.041 1.00 0.00 H new ATOM 0 HB2 ARG A 90 6.713 12.388 -9.908 1.00 0.00 H new ATOM 0 HB3 ARG A 90 6.887 11.563 -8.371 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.152 11.687 -10.340 1.00 0.00 H new ATOM 0 HG3 ARG A 90 8.795 13.046 -9.292 1.00 0.00 H new ATOM 0 HD2 ARG A 90 9.809 10.317 -8.431 1.00 0.00 H new ATOM 0 HD3 ARG A 90 10.680 11.837 -8.397 1.00 0.00 H new ATOM 0 HE ARG A 90 8.112 12.055 -6.958 1.00 0.00 H new ATOM 0 HH11 ARG A 90 11.567 10.967 -6.667 1.00 0.00 H new ATOM 0 HH12 ARG A 90 11.556 11.065 -4.903 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.186 11.929 -4.538 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.731 11.584 -3.754 1.00 0.00 H new ATOM 1376 N VAL A 91 6.681 8.723 -8.199 1.00 0.00 N ATOM 1377 CA VAL A 91 7.091 7.626 -7.378 1.00 0.00 C ATOM 1378 C VAL A 91 7.152 6.302 -8.060 1.00 0.00 C ATOM 1379 O VAL A 91 7.889 5.438 -7.587 1.00 0.00 O ATOM 1380 CB VAL A 91 6.467 7.478 -6.022 1.00 0.00 C ATOM 1381 CG1 VAL A 91 6.762 8.739 -5.193 1.00 0.00 C ATOM 1382 CG2 VAL A 91 4.956 7.212 -5.917 1.00 0.00 C ATOM 0 H VAL A 91 5.785 9.135 -7.939 1.00 0.00 H new ATOM 0 HA VAL A 91 8.108 7.964 -7.182 1.00 0.00 H new ATOM 0 HB VAL A 91 6.928 6.560 -5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.311 8.639 -4.206 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.840 8.862 -5.089 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.344 9.611 -5.696 1.00 0.00 H new ATOM 0 HG21 VAL A 91 4.673 7.132 -4.867 1.00 0.00 H new ATOM 0 HG22 VAL A 91 4.409 8.034 -6.379 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.714 6.281 -6.430 1.00 0.00 H new ATOM 1392 N PHE A 92 6.531 6.050 -9.226 1.00 0.00 N ATOM 1393 CA PHE A 92 6.609 4.817 -9.947 1.00 0.00 C ATOM 1394 C PHE A 92 7.776 4.804 -10.874 1.00 0.00 C ATOM 1395 O PHE A 92 8.650 3.939 -10.909 1.00 0.00 O ATOM 1396 CB PHE A 92 5.374 4.588 -10.834 1.00 0.00 C ATOM 1397 CG PHE A 92 4.212 4.115 -10.030 1.00 0.00 C ATOM 1398 CD1 PHE A 92 4.281 2.983 -9.253 1.00 0.00 C ATOM 1399 CD2 PHE A 92 2.975 4.635 -10.329 1.00 0.00 C ATOM 1400 CE1 PHE A 92 3.142 2.380 -8.774 1.00 0.00 C ATOM 1401 CE2 PHE A 92 1.804 4.072 -9.880 1.00 0.00 C ATOM 1402 CZ PHE A 92 1.931 2.922 -9.136 1.00 0.00 C ATOM 0 H PHE A 92 5.944 6.743 -9.690 1.00 0.00 H new ATOM 0 HA PHE A 92 6.691 4.043 -9.184 1.00 0.00 H new ATOM 0 HB2 PHE A 92 5.113 5.515 -11.344 1.00 0.00 H new ATOM 0 HB3 PHE A 92 5.608 3.854 -11.605 1.00 0.00 H new ATOM 0 HD1 PHE A 92 5.246 2.560 -9.015 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.921 5.523 -10.942 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.196 1.511 -8.135 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.840 4.507 -10.099 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.030 2.417 -8.819 1.00 0.00 H new ATOM 1412 N ASP A 93 7.897 5.989 -11.498 1.00 0.00 N ATOM 1413 CA ASP A 93 8.975 6.321 -12.377 1.00 0.00 C ATOM 1414 C ASP A 93 10.264 6.586 -11.679 1.00 0.00 C ATOM 1415 O ASP A 93 10.571 7.753 -11.441 1.00 0.00 O ATOM 1416 CB ASP A 93 8.694 7.591 -13.198 1.00 0.00 C ATOM 1417 CG ASP A 93 9.565 7.850 -14.419 1.00 0.00 C ATOM 1418 OD1 ASP A 93 10.215 6.850 -14.827 1.00 0.00 O ATOM 1419 OD2 ASP A 93 9.561 8.980 -14.976 1.00 0.00 O ATOM 0 H ASP A 93 7.220 6.743 -11.387 1.00 0.00 H new ATOM 0 HA ASP A 93 9.057 5.436 -13.008 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.656 7.554 -13.528 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.787 8.449 -12.532 1.00 0.00 H new ATOM 1424 N LYS A 94 11.096 5.552 -11.454 1.00 0.00 N ATOM 1425 CA LYS A 94 12.216 5.629 -10.569 1.00 0.00 C ATOM 1426 C LYS A 94 13.372 6.326 -11.199 1.00 0.00 C ATOM 1427 O LYS A 94 14.091 7.154 -10.642 1.00 0.00 O ATOM 1428 CB LYS A 94 12.550 4.273 -9.925 1.00 0.00 C ATOM 1429 CG LYS A 94 13.883 4.347 -9.178 1.00 0.00 C ATOM 1430 CD LYS A 94 14.139 3.132 -8.284 1.00 0.00 C ATOM 1431 CE LYS A 94 13.825 3.292 -6.796 1.00 0.00 C ATOM 1432 NZ LYS A 94 14.341 2.187 -5.956 1.00 0.00 N ATOM 0 H LYS A 94 10.987 4.641 -11.899 1.00 0.00 H new ATOM 0 HA LYS A 94 11.933 6.261 -9.727 1.00 0.00 H new ATOM 0 HB2 LYS A 94 11.756 3.986 -9.236 1.00 0.00 H new ATOM 0 HB3 LYS A 94 12.600 3.501 -10.693 1.00 0.00 H new ATOM 0 HG2 LYS A 94 14.694 4.435 -9.901 1.00 0.00 H new ATOM 0 HG3 LYS A 94 13.901 5.250 -8.568 1.00 0.00 H new ATOM 0 HD2 LYS A 94 13.551 2.298 -8.667 1.00 0.00 H new ATOM 0 HD3 LYS A 94 15.188 2.854 -8.382 1.00 0.00 H new ATOM 0 HE2 LYS A 94 14.248 4.233 -6.444 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.745 3.361 -6.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.322 2.473 -4.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.745 1.345 -6.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 15.318 1.966 -6.235 1.00 0.00 H new ATOM 1446 N ASP A 95 13.661 5.984 -12.468 1.00 0.00 N ATOM 1447 CA ASP A 95 14.699 6.453 -13.332 1.00 0.00 C ATOM 1448 C ASP A 95 14.616 7.875 -13.772 1.00 0.00 C ATOM 1449 O ASP A 95 15.650 8.528 -13.908 1.00 0.00 O ATOM 1450 CB ASP A 95 15.025 5.457 -14.458 1.00 0.00 C ATOM 1451 CG ASP A 95 13.829 5.274 -15.382 1.00 0.00 C ATOM 1452 OD1 ASP A 95 13.243 6.264 -15.897 1.00 0.00 O ATOM 1453 OD2 ASP A 95 13.407 4.091 -15.473 1.00 0.00 O ATOM 0 H ASP A 95 13.089 5.287 -12.945 1.00 0.00 H new ATOM 0 HA ASP A 95 15.574 6.486 -12.683 1.00 0.00 H new ATOM 0 HB2 ASP A 95 15.881 5.816 -15.030 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.309 4.496 -14.029 1.00 0.00 H new ATOM 1458 N GLY A 96 13.390 8.422 -13.837 1.00 0.00 N ATOM 1459 CA GLY A 96 13.156 9.781 -14.215 1.00 0.00 C ATOM 1460 C GLY A 96 13.111 9.906 -15.699 1.00 0.00 C ATOM 1461 O GLY A 96 13.268 11.052 -16.115 1.00 0.00 O ATOM 0 H GLY A 96 12.538 7.905 -13.621 1.00 0.00 H new ATOM 0 HA2 GLY A 96 12.216 10.128 -13.786 1.00 0.00 H new ATOM 0 HA3 GLY A 96 13.944 10.418 -13.814 1.00 0.00 H new ATOM 1465 N ASN A 97 12.776 8.949 -16.583 1.00 0.00 N ATOM 1466 CA ASN A 97 12.700 9.158 -17.996 1.00 0.00 C ATOM 1467 C ASN A 97 11.363 9.589 -18.492 1.00 0.00 C ATOM 1468 O ASN A 97 11.296 10.051 -19.630 1.00 0.00 O ATOM 1469 CB ASN A 97 13.279 7.990 -18.812 1.00 0.00 C ATOM 1470 CG ASN A 97 12.313 6.813 -18.820 1.00 0.00 C ATOM 1471 OD1 ASN A 97 11.333 6.598 -18.110 1.00 0.00 O ATOM 1472 ND2 ASN A 97 12.678 5.949 -19.805 1.00 0.00 N ATOM 0 H ASN A 97 12.550 7.994 -16.304 1.00 0.00 H new ATOM 0 HA ASN A 97 13.351 10.015 -18.169 1.00 0.00 H new ATOM 0 HB2 ASN A 97 13.474 8.315 -19.834 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.234 7.681 -18.388 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.134 5.101 -19.967 1.00 0.00 H new ATOM 0 HD22 ASN A 97 13.495 6.149 -20.382 1.00 0.00 H new ATOM 1479 N GLY A 98 10.266 9.534 -17.716 1.00 0.00 N ATOM 1480 CA GLY A 98 8.988 10.049 -18.096 1.00 0.00 C ATOM 1481 C GLY A 98 8.034 8.930 -18.337 1.00 0.00 C ATOM 1482 O GLY A 98 6.911 9.189 -18.767 1.00 0.00 O ATOM 0 H GLY A 98 10.270 9.114 -16.787 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.603 10.702 -17.313 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.085 10.655 -18.997 1.00 0.00 H new ATOM 1486 N TYR A 99 8.488 7.667 -18.251 1.00 0.00 N ATOM 1487 CA TYR A 99 7.774 6.531 -18.746 1.00 0.00 C ATOM 1488 C TYR A 99 7.804 5.478 -17.693 1.00 0.00 C ATOM 1489 O TYR A 99 8.865 5.193 -17.140 1.00 0.00 O ATOM 1490 CB TYR A 99 8.192 5.925 -20.096 1.00 0.00 C ATOM 1491 CG TYR A 99 8.034 6.939 -21.177 1.00 0.00 C ATOM 1492 CD1 TYR A 99 9.130 7.728 -21.437 1.00 0.00 C ATOM 1493 CD2 TYR A 99 6.910 7.031 -21.964 1.00 0.00 C ATOM 1494 CE1 TYR A 99 9.150 8.571 -22.522 1.00 0.00 C ATOM 1495 CE2 TYR A 99 6.915 7.883 -23.043 1.00 0.00 C ATOM 1496 CZ TYR A 99 8.012 8.675 -23.287 1.00 0.00 C ATOM 1497 OH TYR A 99 8.153 9.544 -24.390 1.00 0.00 O ATOM 0 H TYR A 99 9.382 7.428 -17.822 1.00 0.00 H new ATOM 0 HA TYR A 99 6.779 6.917 -18.966 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.228 5.589 -20.049 1.00 0.00 H new ATOM 0 HB3 TYR A 99 7.582 5.048 -20.316 1.00 0.00 H new ATOM 0 HD1 TYR A 99 9.986 7.684 -20.780 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.034 6.441 -21.737 1.00 0.00 H new ATOM 0 HE1 TYR A 99 10.036 9.137 -22.768 1.00 0.00 H new ATOM 0 HE2 TYR A 99 6.058 7.930 -23.698 1.00 0.00 H new ATOM 0 HH TYR A 99 7.312 9.573 -24.893 1.00 0.00 H new ATOM 1507 N ILE A 100 6.694 4.729 -17.561 1.00 0.00 N ATOM 1508 CA ILE A 100 6.645 3.621 -16.658 1.00 0.00 C ATOM 1509 C ILE A 100 6.808 2.385 -17.473 1.00 0.00 C ATOM 1510 O ILE A 100 6.079 2.214 -18.448 1.00 0.00 O ATOM 1511 CB ILE A 100 5.315 3.612 -15.965 1.00 0.00 C ATOM 1512 CG1 ILE A 100 5.347 4.809 -15.000 1.00 0.00 C ATOM 1513 CG2 ILE A 100 4.921 2.240 -15.391 1.00 0.00 C ATOM 1514 CD1 ILE A 100 3.947 5.013 -14.422 1.00 0.00 C ATOM 0 H ILE A 100 5.831 4.891 -18.080 1.00 0.00 H new ATOM 0 HA ILE A 100 7.428 3.685 -15.903 1.00 0.00 H new ATOM 0 HB ILE A 100 4.482 3.749 -16.654 1.00 0.00 H new ATOM 0 HG12 ILE A 100 6.064 4.629 -14.199 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.674 5.707 -15.524 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.948 2.314 -14.906 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.869 1.509 -16.198 1.00 0.00 H new ATOM 0 HG23 ILE A 100 5.667 1.923 -14.662 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.957 5.860 -13.736 1.00 0.00 H new ATOM 0 HD12 ILE A 100 3.244 5.210 -15.232 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.640 4.115 -13.886 1.00 0.00 H new ATOM 1526 N SER A 101 7.658 1.418 -17.084 1.00 0.00 N ATOM 1527 CA SER A 101 7.653 0.038 -17.460 1.00 0.00 C ATOM 1528 C SER A 101 6.992 -0.836 -16.450 1.00 0.00 C ATOM 1529 O SER A 101 6.698 -0.338 -15.364 1.00 0.00 O ATOM 1530 CB SER A 101 9.073 -0.336 -17.917 1.00 0.00 C ATOM 1531 OG SER A 101 9.970 -0.312 -16.817 1.00 0.00 O ATOM 0 H SER A 101 8.424 1.626 -16.443 1.00 0.00 H new ATOM 0 HA SER A 101 7.007 -0.143 -18.320 1.00 0.00 H new ATOM 0 HB2 SER A 101 9.067 -1.328 -18.368 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.410 0.361 -18.684 1.00 0.00 H new ATOM 0 HG SER A 101 10.869 -0.554 -17.123 1.00 0.00 H new ATOM 1537 N ALA A 102 6.589 -2.075 -16.781 1.00 0.00 N ATOM 1538 CA ALA A 102 5.919 -2.960 -15.879 1.00 0.00 C ATOM 1539 C ALA A 102 6.717 -3.202 -14.644 1.00 0.00 C ATOM 1540 O ALA A 102 6.192 -3.263 -13.533 1.00 0.00 O ATOM 1541 CB ALA A 102 5.637 -4.280 -16.615 1.00 0.00 C ATOM 0 H ALA A 102 6.734 -2.475 -17.708 1.00 0.00 H new ATOM 0 HA ALA A 102 4.983 -2.501 -15.559 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.126 -4.969 -15.943 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.007 -4.085 -17.483 1.00 0.00 H new ATOM 0 HB3 ALA A 102 6.578 -4.723 -16.942 1.00 0.00 H new ATOM 1547 N ALA A 103 8.055 -3.215 -14.776 1.00 0.00 N ATOM 1548 CA ALA A 103 8.976 -3.175 -13.682 1.00 0.00 C ATOM 1549 C ALA A 103 8.782 -2.113 -12.655 1.00 0.00 C ATOM 1550 O ALA A 103 9.017 -2.314 -11.465 1.00 0.00 O ATOM 1551 CB ALA A 103 10.442 -3.009 -14.114 1.00 0.00 C ATOM 0 H ALA A 103 8.516 -3.255 -15.685 1.00 0.00 H new ATOM 0 HA ALA A 103 8.755 -4.149 -13.244 1.00 0.00 H new ATOM 0 HB1 ALA A 103 11.081 -2.987 -13.231 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.731 -3.846 -14.750 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.555 -2.077 -14.667 1.00 0.00 H new ATOM 1557 N GLU A 104 8.466 -0.886 -13.107 1.00 0.00 N ATOM 1558 CA GLU A 104 8.372 0.266 -12.266 1.00 0.00 C ATOM 1559 C GLU A 104 7.043 0.266 -11.594 1.00 0.00 C ATOM 1560 O GLU A 104 6.954 0.711 -10.450 1.00 0.00 O ATOM 1561 CB GLU A 104 8.604 1.547 -13.086 1.00 0.00 C ATOM 1562 CG GLU A 104 10.073 1.695 -13.488 1.00 0.00 C ATOM 1563 CD GLU A 104 10.250 2.966 -14.308 1.00 0.00 C ATOM 1564 OE1 GLU A 104 9.682 2.927 -15.432 1.00 0.00 O ATOM 1565 OE2 GLU A 104 10.982 3.936 -13.976 1.00 0.00 O ATOM 0 H GLU A 104 8.270 -0.690 -14.089 1.00 0.00 H new ATOM 0 HA GLU A 104 9.146 0.235 -11.499 1.00 0.00 H new ATOM 0 HB2 GLU A 104 7.981 1.526 -13.980 1.00 0.00 H new ATOM 0 HB3 GLU A 104 8.296 2.415 -12.503 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.702 1.733 -12.599 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.392 0.828 -14.067 1.00 0.00 H new ATOM 1572 N LEU A 105 5.972 -0.284 -12.195 1.00 0.00 N ATOM 1573 CA LEU A 105 4.712 -0.461 -11.542 1.00 0.00 C ATOM 1574 C LEU A 105 4.853 -1.504 -10.487 1.00 0.00 C ATOM 1575 O LEU A 105 4.285 -1.418 -9.400 1.00 0.00 O ATOM 1576 CB LEU A 105 3.595 -0.835 -12.531 1.00 0.00 C ATOM 1577 CG LEU A 105 2.140 -0.848 -12.031 1.00 0.00 C ATOM 1578 CD1 LEU A 105 1.663 0.612 -11.948 1.00 0.00 C ATOM 1579 CD2 LEU A 105 1.113 -1.568 -12.921 1.00 0.00 C ATOM 0 H LEU A 105 5.983 -0.614 -13.160 1.00 0.00 H new ATOM 0 HA LEU A 105 4.423 0.487 -11.089 1.00 0.00 H new ATOM 0 HB2 LEU A 105 3.650 -0.141 -13.370 1.00 0.00 H new ATOM 0 HB3 LEU A 105 3.819 -1.827 -12.923 1.00 0.00 H new ATOM 0 HG LEU A 105 2.176 -1.392 -11.087 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.632 0.638 -11.596 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.298 1.163 -11.254 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.721 1.070 -12.935 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.127 -1.507 -12.461 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.085 -1.093 -13.902 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.398 -2.614 -13.032 1.00 0.00 H new ATOM 1591 N ARG A 106 5.682 -2.523 -10.774 1.00 0.00 N ATOM 1592 CA ARG A 106 5.748 -3.579 -9.811 1.00 0.00 C ATOM 1593 C ARG A 106 6.538 -3.280 -8.584 1.00 0.00 C ATOM 1594 O ARG A 106 6.105 -3.496 -7.453 1.00 0.00 O ATOM 1595 CB ARG A 106 6.311 -4.873 -10.421 1.00 0.00 C ATOM 1596 CG ARG A 106 6.592 -6.012 -9.438 1.00 0.00 C ATOM 1597 CD ARG A 106 7.098 -7.292 -10.107 1.00 0.00 C ATOM 1598 NE ARG A 106 8.481 -7.032 -10.597 1.00 0.00 N ATOM 1599 CZ ARG A 106 9.279 -7.938 -11.234 1.00 0.00 C ATOM 1600 NH1 ARG A 106 8.716 -9.024 -11.841 1.00 0.00 N ATOM 1601 NH2 ARG A 106 10.642 -7.899 -11.172 1.00 0.00 N ATOM 0 H ARG A 106 6.266 -2.618 -11.605 1.00 0.00 H new ATOM 0 HA ARG A 106 4.707 -3.698 -9.510 1.00 0.00 H new ATOM 0 HB2 ARG A 106 5.608 -5.233 -11.172 1.00 0.00 H new ATOM 0 HB3 ARG A 106 7.238 -4.632 -10.942 1.00 0.00 H new ATOM 0 HG2 ARG A 106 7.330 -5.677 -8.709 1.00 0.00 H new ATOM 0 HG3 ARG A 106 5.679 -6.237 -8.886 1.00 0.00 H new ATOM 0 HD2 ARG A 106 7.093 -8.121 -9.399 1.00 0.00 H new ATOM 0 HD3 ARG A 106 6.446 -7.575 -10.934 1.00 0.00 H new ATOM 0 HE ARG A 106 8.863 -6.099 -10.444 1.00 0.00 H new ATOM 0 HH11 ARG A 106 7.705 -9.155 -11.817 1.00 0.00 H new ATOM 0 HH12 ARG A 106 9.307 -9.705 -12.319 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.107 -7.170 -10.632 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.195 -8.599 -11.666 1.00 0.00 H new ATOM 1615 N HIS A 107 7.731 -2.681 -8.753 1.00 0.00 N ATOM 1616 CA HIS A 107 8.659 -2.338 -7.721 1.00 0.00 C ATOM 1617 C HIS A 107 8.073 -1.503 -6.635 1.00 0.00 C ATOM 1618 O HIS A 107 8.411 -1.706 -5.470 1.00 0.00 O ATOM 1619 CB HIS A 107 9.792 -1.531 -8.376 1.00 0.00 C ATOM 1620 CG HIS A 107 10.893 -1.137 -7.436 1.00 0.00 C ATOM 1621 ND1 HIS A 107 11.726 -1.998 -6.750 1.00 0.00 N ATOM 1622 CD2 HIS A 107 11.344 0.119 -7.174 1.00 0.00 C ATOM 1623 CE1 HIS A 107 12.670 -1.248 -6.120 1.00 0.00 C ATOM 1624 NE2 HIS A 107 12.445 0.033 -6.346 1.00 0.00 N ATOM 0 H HIS A 107 8.070 -2.418 -9.679 1.00 0.00 H new ATOM 0 HA HIS A 107 8.995 -3.267 -7.260 1.00 0.00 H new ATOM 0 HB2 HIS A 107 10.218 -2.119 -9.189 1.00 0.00 H new ATOM 0 HB3 HIS A 107 9.370 -0.630 -8.821 1.00 0.00 H new ATOM 0 HD1 HIS A 107 11.648 -3.015 -6.721 1.00 0.00 H new ATOM 0 HD2 HIS A 107 10.912 1.034 -7.552 1.00 0.00 H new ATOM 0 HE1 HIS A 107 13.481 -1.641 -5.525 1.00 0.00 H new ATOM 1632 N VAL A 108 7.081 -0.686 -7.031 1.00 0.00 N ATOM 1633 CA VAL A 108 6.312 0.071 -6.092 1.00 0.00 C ATOM 1634 C VAL A 108 5.216 -0.655 -5.391 1.00 0.00 C ATOM 1635 O VAL A 108 5.021 -0.598 -4.178 1.00 0.00 O ATOM 1636 CB VAL A 108 5.740 1.347 -6.633 1.00 0.00 C ATOM 1637 CG1 VAL A 108 4.728 2.048 -5.710 1.00 0.00 C ATOM 1638 CG2 VAL A 108 6.870 2.320 -7.010 1.00 0.00 C ATOM 0 H VAL A 108 6.810 -0.549 -8.005 1.00 0.00 H new ATOM 0 HA VAL A 108 7.088 0.293 -5.360 1.00 0.00 H new ATOM 0 HB VAL A 108 5.174 1.054 -7.517 1.00 0.00 H new ATOM 0 HG11 VAL A 108 4.371 2.960 -6.188 1.00 0.00 H new ATOM 0 HG12 VAL A 108 3.885 1.383 -5.523 1.00 0.00 H new ATOM 0 HG13 VAL A 108 5.210 2.298 -4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 108 6.441 3.242 -7.401 1.00 0.00 H new ATOM 0 HG22 VAL A 108 7.467 2.544 -6.126 1.00 0.00 H new ATOM 0 HG23 VAL A 108 7.504 1.864 -7.770 1.00 0.00 H new ATOM 1648 N MET A 109 4.489 -1.550 -6.084 1.00 0.00 N ATOM 1649 CA MET A 109 3.412 -2.330 -5.558 1.00 0.00 C ATOM 1650 C MET A 109 3.893 -3.343 -4.577 1.00 0.00 C ATOM 1651 O MET A 109 3.306 -3.571 -3.520 1.00 0.00 O ATOM 1652 CB MET A 109 2.459 -2.849 -6.648 1.00 0.00 C ATOM 1653 CG MET A 109 1.754 -1.760 -7.458 1.00 0.00 C ATOM 1654 SD MET A 109 0.571 -0.662 -6.621 1.00 0.00 S ATOM 1655 CE MET A 109 -0.811 -0.833 -7.788 1.00 0.00 C ATOM 0 H MET A 109 4.664 -1.740 -7.071 1.00 0.00 H new ATOM 0 HA MET A 109 2.773 -1.669 -4.972 1.00 0.00 H new ATOM 0 HB2 MET A 109 3.023 -3.483 -7.332 1.00 0.00 H new ATOM 0 HB3 MET A 109 1.703 -3.480 -6.180 1.00 0.00 H new ATOM 0 HG2 MET A 109 2.525 -1.133 -7.906 1.00 0.00 H new ATOM 0 HG3 MET A 109 1.226 -2.249 -8.277 1.00 0.00 H new ATOM 0 HE1 MET A 109 -1.651 -0.226 -7.449 1.00 0.00 H new ATOM 0 HE2 MET A 109 -0.496 -0.497 -8.776 1.00 0.00 H new ATOM 0 HE3 MET A 109 -1.116 -1.878 -7.840 1.00 0.00 H new ATOM 1665 N THR A 110 5.076 -3.934 -4.822 1.00 0.00 N ATOM 1666 CA THR A 110 5.848 -4.650 -3.855 1.00 0.00 C ATOM 1667 C THR A 110 6.237 -3.898 -2.629 1.00 0.00 C ATOM 1668 O THR A 110 6.176 -4.371 -1.495 1.00 0.00 O ATOM 1669 CB THR A 110 6.883 -5.616 -4.351 1.00 0.00 C ATOM 1670 OG1 THR A 110 7.776 -4.988 -5.258 1.00 0.00 O ATOM 1671 CG2 THR A 110 6.260 -6.703 -5.244 1.00 0.00 C ATOM 0 H THR A 110 5.516 -3.911 -5.742 1.00 0.00 H new ATOM 0 HA THR A 110 5.072 -5.332 -3.507 1.00 0.00 H new ATOM 0 HB THR A 110 7.356 -6.002 -3.448 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.274 -4.643 -6.025 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.039 -7.385 -5.585 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.515 -7.259 -4.675 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.783 -6.237 -6.106 1.00 0.00 H new ATOM 1679 N ASN A 111 6.575 -2.611 -2.826 1.00 0.00 N ATOM 1680 CA ASN A 111 7.084 -1.801 -1.763 1.00 0.00 C ATOM 1681 C ASN A 111 6.025 -1.607 -0.733 1.00 0.00 C ATOM 1682 O ASN A 111 6.262 -1.937 0.428 1.00 0.00 O ATOM 1683 CB ASN A 111 7.769 -0.536 -2.306 1.00 0.00 C ATOM 1684 CG ASN A 111 8.685 0.027 -1.230 1.00 0.00 C ATOM 1685 OD1 ASN A 111 9.590 -0.671 -0.775 1.00 0.00 O ATOM 1686 ND2 ASN A 111 8.481 1.332 -0.906 1.00 0.00 N ATOM 0 H ASN A 111 6.496 -2.131 -3.722 1.00 0.00 H new ATOM 0 HA ASN A 111 7.894 -2.305 -1.235 1.00 0.00 H new ATOM 0 HB2 ASN A 111 8.342 -0.773 -3.203 1.00 0.00 H new ATOM 0 HB3 ASN A 111 7.022 0.205 -2.591 1.00 0.00 H new ATOM 0 HD21 ASN A 111 9.102 1.796 -0.243 1.00 0.00 H new ATOM 0 HD22 ASN A 111 7.707 1.847 -1.326 1.00 0.00 H new ATOM 1693 N LEU A 112 4.859 -1.117 -1.193 1.00 0.00 N ATOM 1694 CA LEU A 112 3.589 -1.097 -0.537 1.00 0.00 C ATOM 1695 C LEU A 112 3.109 -2.416 -0.035 1.00 0.00 C ATOM 1696 O LEU A 112 2.380 -2.383 0.955 1.00 0.00 O ATOM 1697 CB LEU A 112 2.488 -0.524 -1.446 1.00 0.00 C ATOM 1698 CG LEU A 112 2.747 0.791 -2.200 1.00 0.00 C ATOM 1699 CD1 LEU A 112 1.839 1.068 -3.410 1.00 0.00 C ATOM 1700 CD2 LEU A 112 2.856 2.075 -1.360 1.00 0.00 C ATOM 0 H LEU A 112 4.804 -0.692 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 112 3.770 -0.459 0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 112 2.246 -1.285 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.598 -0.381 -0.833 1.00 0.00 H new ATOM 0 HG LEU A 112 3.748 0.559 -2.563 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.114 2.021 -3.861 1.00 0.00 H new ATOM 0 HD12 LEU A 112 1.958 0.271 -4.144 1.00 0.00 H new ATOM 0 HD13 LEU A 112 0.800 1.108 -3.084 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.039 2.925 -2.017 1.00 0.00 H new ATOM 0 HD22 LEU A 112 1.926 2.232 -0.813 1.00 0.00 H new ATOM 0 HD23 LEU A 112 3.680 1.979 -0.653 1.00 0.00 H new ATOM 1712 N GLY A 113 3.315 -3.564 -0.705 1.00 0.00 N ATOM 1713 CA GLY A 113 3.000 -4.889 -0.270 1.00 0.00 C ATOM 1714 C GLY A 113 1.679 -5.292 -0.829 1.00 0.00 C ATOM 1715 O GLY A 113 0.915 -6.061 -0.248 1.00 0.00 O ATOM 0 H GLY A 113 3.739 -3.562 -1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 113 3.773 -5.584 -0.597 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.974 -4.930 0.819 1.00 0.00 H new ATOM 1719 N GLU A 114 1.327 -4.764 -2.015 1.00 0.00 N ATOM 1720 CA GLU A 114 0.204 -5.106 -2.832 1.00 0.00 C ATOM 1721 C GLU A 114 0.539 -6.275 -3.693 1.00 0.00 C ATOM 1722 O GLU A 114 1.622 -6.428 -4.256 1.00 0.00 O ATOM 1723 CB GLU A 114 -0.172 -3.917 -3.732 1.00 0.00 C ATOM 1724 CG GLU A 114 -1.338 -4.228 -4.672 1.00 0.00 C ATOM 1725 CD GLU A 114 -2.678 -4.696 -4.122 1.00 0.00 C ATOM 1726 OE1 GLU A 114 -2.752 -5.914 -3.806 1.00 0.00 O ATOM 1727 OE2 GLU A 114 -3.576 -3.877 -3.792 1.00 0.00 O ATOM 0 H GLU A 114 1.886 -4.025 -2.442 1.00 0.00 H new ATOM 0 HA GLU A 114 -0.635 -5.356 -2.183 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -0.433 -3.063 -3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 114 0.697 -3.626 -4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -1.528 -3.327 -5.256 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -0.993 -4.992 -5.369 1.00 0.00 H new ATOM 1734 N LYS A 115 -0.391 -7.246 -3.731 1.00 0.00 N ATOM 1735 CA LYS A 115 -0.232 -8.552 -4.290 1.00 0.00 C ATOM 1736 C LYS A 115 -0.656 -8.630 -5.716 1.00 0.00 C ATOM 1737 O LYS A 115 -1.808 -8.685 -6.141 1.00 0.00 O ATOM 1738 CB LYS A 115 -1.109 -9.472 -3.423 1.00 0.00 C ATOM 1739 CG LYS A 115 -0.790 -10.938 -3.720 1.00 0.00 C ATOM 1740 CD LYS A 115 -1.330 -11.850 -2.616 1.00 0.00 C ATOM 1741 CE LYS A 115 -1.344 -13.320 -3.038 1.00 0.00 C ATOM 1742 NZ LYS A 115 -1.592 -14.157 -1.843 1.00 0.00 N ATOM 0 H LYS A 115 -1.323 -7.106 -3.341 1.00 0.00 H new ATOM 0 HA LYS A 115 0.820 -8.839 -4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -0.937 -9.261 -2.367 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -2.163 -9.274 -3.620 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -1.226 -11.222 -4.678 1.00 0.00 H new ATOM 0 HG3 LYS A 115 0.288 -11.069 -3.810 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -0.718 -11.736 -1.721 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -2.341 -11.540 -2.352 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -2.119 -13.491 -3.786 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -0.393 -13.590 -3.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -1.604 -15.160 -2.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -0.837 -13.998 -1.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -2.509 -13.902 -1.425 1.00 0.00 H new ATOM 1756 N LEU A 116 0.364 -8.426 -6.569 1.00 0.00 N ATOM 1757 CA LEU A 116 0.217 -8.395 -7.992 1.00 0.00 C ATOM 1758 C LEU A 116 1.179 -9.290 -8.696 1.00 0.00 C ATOM 1759 O LEU A 116 2.367 -9.213 -8.385 1.00 0.00 O ATOM 1760 CB LEU A 116 0.386 -7.056 -8.728 1.00 0.00 C ATOM 1761 CG LEU A 116 -0.696 -5.973 -8.584 1.00 0.00 C ATOM 1762 CD1 LEU A 116 -0.202 -4.730 -9.344 1.00 0.00 C ATOM 1763 CD2 LEU A 116 -1.988 -6.400 -9.299 1.00 0.00 C ATOM 0 H LEU A 116 1.324 -8.278 -6.258 1.00 0.00 H new ATOM 0 HA LEU A 116 -0.829 -8.698 -8.045 1.00 0.00 H new ATOM 0 HB2 LEU A 116 1.330 -6.620 -8.401 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.488 -7.277 -9.790 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.881 -5.798 -7.524 1.00 0.00 H new ATOM 0 HD11 LEU A 116 -0.945 -3.936 -9.265 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.739 -4.390 -8.913 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.050 -4.982 -10.394 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -2.741 -5.620 -9.186 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -1.783 -6.555 -10.358 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.357 -7.327 -8.861 1.00 0.00 H new ATOM 1775 N THR A 117 0.692 -10.219 -9.537 1.00 0.00 N ATOM 1776 CA THR A 117 1.498 -10.987 -10.434 1.00 0.00 C ATOM 1777 C THR A 117 1.928 -10.269 -11.667 1.00 0.00 C ATOM 1778 O THR A 117 1.229 -9.407 -12.198 1.00 0.00 O ATOM 1779 CB THR A 117 0.930 -12.356 -10.667 1.00 0.00 C ATOM 1780 OG1 THR A 117 -0.324 -12.319 -11.332 1.00 0.00 O ATOM 1781 CG2 THR A 117 0.791 -13.051 -9.302 1.00 0.00 C ATOM 0 H THR A 117 -0.301 -10.444 -9.595 1.00 0.00 H new ATOM 0 HA THR A 117 2.446 -11.141 -9.919 1.00 0.00 H new ATOM 0 HB THR A 117 1.606 -12.909 -11.320 1.00 0.00 H new ATOM 0 HG1 THR A 117 -0.973 -11.835 -10.780 1.00 0.00 H new ATOM 0 HG21 THR A 117 0.379 -14.050 -9.443 1.00 0.00 H new ATOM 0 HG22 THR A 117 1.771 -13.125 -8.830 1.00 0.00 H new ATOM 0 HG23 THR A 117 0.124 -12.470 -8.664 1.00 0.00 H new ATOM 1789 N ASP A 118 3.082 -10.720 -12.192 1.00 0.00 N ATOM 1790 CA ASP A 118 3.535 -10.145 -13.420 1.00 0.00 C ATOM 1791 C ASP A 118 2.588 -10.157 -14.571 1.00 0.00 C ATOM 1792 O ASP A 118 2.447 -9.145 -15.256 1.00 0.00 O ATOM 1793 CB ASP A 118 4.870 -10.848 -13.714 1.00 0.00 C ATOM 1794 CG ASP A 118 5.832 -10.562 -12.570 1.00 0.00 C ATOM 1795 OD1 ASP A 118 6.213 -9.391 -12.299 1.00 0.00 O ATOM 1796 OD2 ASP A 118 6.291 -11.534 -11.913 1.00 0.00 O ATOM 0 H ASP A 118 3.676 -11.446 -11.791 1.00 0.00 H new ATOM 0 HA ASP A 118 3.639 -9.068 -13.290 1.00 0.00 H new ATOM 0 HB2 ASP A 118 4.717 -11.922 -13.820 1.00 0.00 H new ATOM 0 HB3 ASP A 118 5.286 -10.491 -14.656 1.00 0.00 H new ATOM 1801 N GLU A 119 1.753 -11.208 -14.655 1.00 0.00 N ATOM 1802 CA GLU A 119 0.578 -11.210 -15.469 1.00 0.00 C ATOM 1803 C GLU A 119 -0.408 -10.111 -15.266 1.00 0.00 C ATOM 1804 O GLU A 119 -0.901 -9.512 -16.221 1.00 0.00 O ATOM 1805 CB GLU A 119 -0.273 -12.489 -15.403 1.00 0.00 C ATOM 1806 CG GLU A 119 0.574 -13.709 -15.775 1.00 0.00 C ATOM 1807 CD GLU A 119 -0.072 -15.074 -15.586 1.00 0.00 C ATOM 1808 OE1 GLU A 119 -0.831 -15.515 -16.490 1.00 0.00 O ATOM 1809 OE2 GLU A 119 0.176 -15.677 -14.508 1.00 0.00 O ATOM 0 H GLU A 119 1.899 -12.079 -14.144 1.00 0.00 H new ATOM 0 HA GLU A 119 1.082 -11.091 -16.428 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -0.680 -12.612 -14.399 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -1.121 -12.405 -16.083 1.00 0.00 H new ATOM 0 HG2 GLU A 119 0.867 -13.613 -16.820 1.00 0.00 H new ATOM 0 HG3 GLU A 119 1.489 -13.681 -15.183 1.00 0.00 H new ATOM 1816 N GLU A 120 -0.800 -9.803 -14.017 1.00 0.00 N ATOM 1817 CA GLU A 120 -1.756 -8.802 -13.658 1.00 0.00 C ATOM 1818 C GLU A 120 -1.165 -7.447 -13.842 1.00 0.00 C ATOM 1819 O GLU A 120 -1.888 -6.527 -14.221 1.00 0.00 O ATOM 1820 CB GLU A 120 -2.261 -8.934 -12.211 1.00 0.00 C ATOM 1821 CG GLU A 120 -3.017 -10.218 -11.865 1.00 0.00 C ATOM 1822 CD GLU A 120 -2.977 -10.449 -10.361 1.00 0.00 C ATOM 1823 OE1 GLU A 120 -1.878 -10.656 -9.779 1.00 0.00 O ATOM 1824 OE2 GLU A 120 -4.048 -10.618 -9.720 1.00 0.00 O ATOM 0 H GLU A 120 -0.422 -10.287 -13.203 1.00 0.00 H new ATOM 0 HA GLU A 120 -2.613 -8.946 -14.316 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -1.404 -8.852 -11.542 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -2.913 -8.087 -11.999 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -4.050 -10.145 -12.204 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.570 -11.066 -12.385 1.00 0.00 H new ATOM 1831 N VAL A 121 0.133 -7.193 -13.593 1.00 0.00 N ATOM 1832 CA VAL A 121 0.830 -5.974 -13.862 1.00 0.00 C ATOM 1833 C VAL A 121 0.839 -5.654 -15.317 1.00 0.00 C ATOM 1834 O VAL A 121 0.632 -4.494 -15.672 1.00 0.00 O ATOM 1835 CB VAL A 121 2.229 -6.135 -13.348 1.00 0.00 C ATOM 1836 CG1 VAL A 121 3.266 -5.120 -13.856 1.00 0.00 C ATOM 1837 CG2 VAL A 121 2.329 -6.219 -11.815 1.00 0.00 C ATOM 0 H VAL A 121 0.740 -7.896 -13.171 1.00 0.00 H new ATOM 0 HA VAL A 121 0.327 -5.144 -13.366 1.00 0.00 H new ATOM 0 HB VAL A 121 2.491 -7.099 -13.785 1.00 0.00 H new ATOM 0 HG11 VAL A 121 4.238 -5.340 -13.414 1.00 0.00 H new ATOM 0 HG12 VAL A 121 3.338 -5.186 -14.942 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.959 -4.113 -13.573 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.373 -6.335 -11.524 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.928 -5.306 -11.374 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.756 -7.076 -11.459 1.00 0.00 H new ATOM 1847 N ASP A 122 1.012 -6.668 -16.184 1.00 0.00 N ATOM 1848 CA ASP A 122 1.041 -6.496 -17.603 1.00 0.00 C ATOM 1849 C ASP A 122 -0.279 -6.055 -18.136 1.00 0.00 C ATOM 1850 O ASP A 122 -0.273 -5.149 -18.968 1.00 0.00 O ATOM 1851 CB ASP A 122 1.582 -7.821 -18.166 1.00 0.00 C ATOM 1852 CG ASP A 122 1.804 -7.755 -19.671 1.00 0.00 C ATOM 1853 OD1 ASP A 122 2.877 -7.281 -20.130 1.00 0.00 O ATOM 1854 OD2 ASP A 122 0.938 -8.325 -20.388 1.00 0.00 O ATOM 0 H ASP A 122 1.135 -7.636 -15.889 1.00 0.00 H new ATOM 0 HA ASP A 122 1.696 -5.685 -17.921 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.522 -8.068 -17.672 1.00 0.00 H new ATOM 0 HB3 ASP A 122 0.881 -8.624 -17.938 1.00 0.00 H new ATOM 1859 N GLU A 123 -1.389 -6.515 -17.531 1.00 0.00 N ATOM 1860 CA GLU A 123 -2.666 -5.914 -17.761 1.00 0.00 C ATOM 1861 C GLU A 123 -2.827 -4.461 -17.475 1.00 0.00 C ATOM 1862 O GLU A 123 -3.312 -3.636 -18.249 1.00 0.00 O ATOM 1863 CB GLU A 123 -3.825 -6.679 -17.100 1.00 0.00 C ATOM 1864 CG GLU A 123 -5.210 -6.087 -17.368 1.00 0.00 C ATOM 1865 CD GLU A 123 -6.351 -6.800 -16.656 1.00 0.00 C ATOM 1866 OE1 GLU A 123 -6.297 -7.129 -15.441 1.00 0.00 O ATOM 1867 OE2 GLU A 123 -7.400 -6.976 -17.331 1.00 0.00 O ATOM 0 H GLU A 123 -1.402 -7.303 -16.883 1.00 0.00 H new ATOM 0 HA GLU A 123 -2.710 -5.994 -18.847 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -3.810 -7.711 -17.452 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -3.658 -6.707 -16.023 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -5.208 -5.040 -17.066 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -5.399 -6.108 -18.441 1.00 0.00 H new ATOM 1874 N MET A 124 -2.371 -4.005 -16.295 1.00 0.00 N ATOM 1875 CA MET A 124 -2.492 -2.645 -15.869 1.00 0.00 C ATOM 1876 C MET A 124 -1.636 -1.721 -16.664 1.00 0.00 C ATOM 1877 O MET A 124 -1.920 -0.532 -16.797 1.00 0.00 O ATOM 1878 CB MET A 124 -2.135 -2.394 -14.395 1.00 0.00 C ATOM 1879 CG MET A 124 -2.978 -3.316 -13.511 1.00 0.00 C ATOM 1880 SD MET A 124 -2.754 -3.242 -11.708 1.00 0.00 S ATOM 1881 CE MET A 124 -3.357 -1.600 -11.220 1.00 0.00 C ATOM 0 H MET A 124 -1.902 -4.603 -15.614 1.00 0.00 H new ATOM 0 HA MET A 124 -3.553 -2.446 -16.020 1.00 0.00 H new ATOM 0 HB2 MET A 124 -1.074 -2.580 -14.228 1.00 0.00 H new ATOM 0 HB3 MET A 124 -2.320 -1.352 -14.136 1.00 0.00 H new ATOM 0 HG2 MET A 124 -4.027 -3.108 -13.722 1.00 0.00 H new ATOM 0 HG3 MET A 124 -2.786 -4.342 -13.826 1.00 0.00 H new ATOM 0 HE1 MET A 124 -3.254 -1.480 -10.142 1.00 0.00 H new ATOM 0 HE2 MET A 124 -2.773 -0.832 -11.728 1.00 0.00 H new ATOM 0 HE3 MET A 124 -4.406 -1.501 -11.497 1.00 0.00 H new ATOM 1891 N ILE A 125 -0.555 -2.207 -17.299 1.00 0.00 N ATOM 1892 CA ILE A 125 0.211 -1.550 -18.313 1.00 0.00 C ATOM 1893 C ILE A 125 -0.636 -1.416 -19.531 1.00 0.00 C ATOM 1894 O ILE A 125 -0.716 -0.347 -20.134 1.00 0.00 O ATOM 1895 CB ILE A 125 1.536 -2.208 -18.562 1.00 0.00 C ATOM 1896 CG1 ILE A 125 2.508 -2.156 -17.371 1.00 0.00 C ATOM 1897 CG2 ILE A 125 2.218 -1.510 -19.750 1.00 0.00 C ATOM 1898 CD1 ILE A 125 3.043 -0.783 -16.967 1.00 0.00 C ATOM 0 H ILE A 125 -0.188 -3.134 -17.085 1.00 0.00 H new ATOM 0 HA ILE A 125 0.484 -0.551 -17.973 1.00 0.00 H new ATOM 0 HB ILE A 125 1.318 -3.259 -18.752 1.00 0.00 H new ATOM 0 HG12 ILE A 125 2.007 -2.591 -16.506 1.00 0.00 H new ATOM 0 HG13 ILE A 125 3.360 -2.796 -17.601 1.00 0.00 H new ATOM 0 HG21 ILE A 125 3.183 -1.979 -19.942 1.00 0.00 H new ATOM 0 HG22 ILE A 125 1.588 -1.600 -20.635 1.00 0.00 H new ATOM 0 HG23 ILE A 125 2.367 -0.456 -19.516 1.00 0.00 H new ATOM 0 HD11 ILE A 125 3.716 -0.891 -16.116 1.00 0.00 H new ATOM 0 HD12 ILE A 125 3.585 -0.343 -17.804 1.00 0.00 H new ATOM 0 HD13 ILE A 125 2.211 -0.135 -16.692 1.00 0.00 H new ATOM 1910 N ARG A 126 -1.205 -2.504 -20.079 1.00 0.00 N ATOM 1911 CA ARG A 126 -1.875 -2.574 -21.340 1.00 0.00 C ATOM 1912 C ARG A 126 -3.019 -1.627 -21.463 1.00 0.00 C ATOM 1913 O ARG A 126 -3.216 -1.105 -22.559 1.00 0.00 O ATOM 1914 CB ARG A 126 -2.256 -4.064 -21.333 1.00 0.00 C ATOM 1915 CG ARG A 126 -2.651 -4.616 -22.705 1.00 0.00 C ATOM 1916 CD ARG A 126 -2.536 -6.136 -22.832 1.00 0.00 C ATOM 1917 NE ARG A 126 -3.515 -6.822 -21.942 1.00 0.00 N ATOM 1918 CZ ARG A 126 -3.245 -7.847 -21.082 1.00 0.00 C ATOM 1919 NH1 ARG A 126 -1.950 -8.071 -20.711 1.00 0.00 N ATOM 1920 NH2 ARG A 126 -4.208 -8.722 -20.672 1.00 0.00 N ATOM 0 H ARG A 126 -1.195 -3.405 -19.601 1.00 0.00 H new ATOM 0 HA ARG A 126 -1.287 -2.268 -22.205 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -1.414 -4.641 -20.950 1.00 0.00 H new ATOM 0 HB3 ARG A 126 -3.085 -4.212 -20.641 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -3.679 -4.323 -22.919 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -2.022 -4.152 -23.465 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -2.710 -6.432 -23.866 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -1.524 -6.450 -22.576 1.00 0.00 H new ATOM 0 HE ARG A 126 -4.480 -6.494 -21.979 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -1.205 -7.477 -21.076 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -1.728 -8.832 -20.069 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -5.165 -8.621 -21.009 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -3.971 -9.477 -20.028 1.00 0.00 H new ATOM 1934 N GLU A 127 -3.737 -1.383 -20.353 1.00 0.00 N ATOM 1935 CA GLU A 127 -4.876 -0.519 -20.329 1.00 0.00 C ATOM 1936 C GLU A 127 -4.544 0.886 -19.959 1.00 0.00 C ATOM 1937 O GLU A 127 -5.192 1.833 -20.401 1.00 0.00 O ATOM 1938 CB GLU A 127 -5.906 -1.083 -19.335 1.00 0.00 C ATOM 1939 CG GLU A 127 -6.299 -2.479 -19.822 1.00 0.00 C ATOM 1940 CD GLU A 127 -7.645 -2.962 -19.302 1.00 0.00 C ATOM 1941 OE1 GLU A 127 -7.859 -2.916 -18.061 1.00 0.00 O ATOM 1942 OE2 GLU A 127 -8.442 -3.568 -20.067 1.00 0.00 O ATOM 0 H GLU A 127 -3.520 -1.798 -19.447 1.00 0.00 H new ATOM 0 HA GLU A 127 -5.280 -0.487 -21.341 1.00 0.00 H new ATOM 0 HB2 GLU A 127 -5.483 -1.132 -18.331 1.00 0.00 H new ATOM 0 HB3 GLU A 127 -6.781 -0.435 -19.281 1.00 0.00 H new ATOM 0 HG2 GLU A 127 -6.321 -2.479 -20.912 1.00 0.00 H new ATOM 0 HG3 GLU A 127 -5.529 -3.188 -19.519 1.00 0.00 H new ATOM 1949 N ALA A 128 -3.430 1.174 -19.262 1.00 0.00 N ATOM 1950 CA ALA A 128 -2.984 2.524 -19.108 1.00 0.00 C ATOM 1951 C ALA A 128 -2.327 3.078 -20.326 1.00 0.00 C ATOM 1952 O ALA A 128 -2.550 4.244 -20.646 1.00 0.00 O ATOM 1953 CB ALA A 128 -2.081 2.545 -17.864 1.00 0.00 C ATOM 0 H ALA A 128 -2.841 0.476 -18.807 1.00 0.00 H new ATOM 0 HA ALA A 128 -3.837 3.189 -18.970 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -1.711 3.557 -17.700 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -2.653 2.222 -16.994 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -1.238 1.871 -18.015 1.00 0.00 H new ATOM 1959 N ASP A 129 -1.522 2.249 -21.014 1.00 0.00 N ATOM 1960 CA ASP A 129 -0.925 2.591 -22.267 1.00 0.00 C ATOM 1961 C ASP A 129 -1.979 2.715 -23.312 1.00 0.00 C ATOM 1962 O ASP A 129 -2.893 1.906 -23.468 1.00 0.00 O ATOM 1963 CB ASP A 129 0.217 1.597 -22.539 1.00 0.00 C ATOM 1964 CG ASP A 129 0.738 1.913 -23.934 1.00 0.00 C ATOM 1965 OD1 ASP A 129 0.884 3.130 -24.224 1.00 0.00 O ATOM 1966 OD2 ASP A 129 0.977 0.969 -24.734 1.00 0.00 O ATOM 0 H ASP A 129 -1.279 1.313 -20.689 1.00 0.00 H new ATOM 0 HA ASP A 129 -0.455 3.575 -22.265 1.00 0.00 H new ATOM 0 HB2 ASP A 129 1.008 1.701 -21.796 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -0.141 0.569 -22.482 1.00 0.00 H new ATOM 1971 N ILE A 130 -1.830 3.779 -24.121 1.00 0.00 N ATOM 1972 CA ILE A 130 -2.759 4.136 -25.149 1.00 0.00 C ATOM 1973 C ILE A 130 -2.171 3.843 -26.486 1.00 0.00 C ATOM 1974 O ILE A 130 -2.702 2.971 -27.171 1.00 0.00 O ATOM 1975 CB ILE A 130 -3.211 5.554 -24.964 1.00 0.00 C ATOM 1976 CG1 ILE A 130 -3.687 5.652 -23.505 1.00 0.00 C ATOM 1977 CG2 ILE A 130 -4.351 5.754 -25.978 1.00 0.00 C ATOM 1978 CD1 ILE A 130 -4.466 6.941 -23.251 1.00 0.00 C ATOM 0 H ILE A 130 -1.034 4.414 -24.057 1.00 0.00 H new ATOM 0 HA ILE A 130 -3.662 3.529 -25.081 1.00 0.00 H new ATOM 0 HB ILE A 130 -2.451 6.317 -25.133 1.00 0.00 H new ATOM 0 HG12 ILE A 130 -4.316 4.794 -23.269 1.00 0.00 H new ATOM 0 HG13 ILE A 130 -2.826 5.609 -22.838 1.00 0.00 H new ATOM 0 HG21 ILE A 130 -4.733 6.772 -25.900 1.00 0.00 H new ATOM 0 HG22 ILE A 130 -3.975 5.583 -26.987 1.00 0.00 H new ATOM 0 HG23 ILE A 130 -5.154 5.048 -25.766 1.00 0.00 H new ATOM 0 HD11 ILE A 130 -4.786 6.974 -22.209 1.00 0.00 H new ATOM 0 HD12 ILE A 130 -3.828 7.799 -23.462 1.00 0.00 H new ATOM 0 HD13 ILE A 130 -5.341 6.971 -23.900 1.00 0.00 H new ATOM 1990 N ASP A 131 -1.084 4.504 -26.925 1.00 0.00 N ATOM 1991 CA ASP A 131 -0.505 4.229 -28.203 1.00 0.00 C ATOM 1992 C ASP A 131 0.223 2.957 -28.475 1.00 0.00 C ATOM 1993 O ASP A 131 0.576 2.666 -29.617 1.00 0.00 O ATOM 1994 CB ASP A 131 0.311 5.498 -28.502 1.00 0.00 C ATOM 1995 CG ASP A 131 1.229 5.976 -27.387 1.00 0.00 C ATOM 1996 OD1 ASP A 131 1.911 5.069 -26.838 1.00 0.00 O ATOM 1997 OD2 ASP A 131 1.520 7.198 -27.298 1.00 0.00 O ATOM 0 H ASP A 131 -0.605 5.231 -26.393 1.00 0.00 H new ATOM 0 HA ASP A 131 -1.322 4.011 -28.891 1.00 0.00 H new ATOM 0 HB2 ASP A 131 0.915 5.317 -29.391 1.00 0.00 H new ATOM 0 HB3 ASP A 131 -0.382 6.303 -28.746 1.00 0.00 H new ATOM 2002 N GLY A 132 0.456 2.029 -27.530 1.00 0.00 N ATOM 2003 CA GLY A 132 0.747 0.648 -27.763 1.00 0.00 C ATOM 2004 C GLY A 132 2.188 0.272 -27.722 1.00 0.00 C ATOM 2005 O GLY A 132 2.634 -0.633 -28.427 1.00 0.00 O ATOM 0 H GLY A 132 0.440 2.260 -26.537 1.00 0.00 H new ATOM 0 HA2 GLY A 132 0.215 0.054 -27.020 1.00 0.00 H new ATOM 0 HA3 GLY A 132 0.347 0.372 -28.738 1.00 0.00 H new ATOM 2009 N ASP A 133 3.012 1.056 -27.004 1.00 0.00 N ATOM 2010 CA ASP A 133 4.440 0.990 -26.968 1.00 0.00 C ATOM 2011 C ASP A 133 4.932 0.129 -25.856 1.00 0.00 C ATOM 2012 O ASP A 133 6.079 -0.312 -25.923 1.00 0.00 O ATOM 2013 CB ASP A 133 5.096 2.375 -26.844 1.00 0.00 C ATOM 2014 CG ASP A 133 4.483 3.200 -25.721 1.00 0.00 C ATOM 2015 OD1 ASP A 133 3.723 2.716 -24.840 1.00 0.00 O ATOM 2016 OD2 ASP A 133 4.662 4.447 -25.689 1.00 0.00 O ATOM 0 H ASP A 133 2.649 1.794 -26.401 1.00 0.00 H new ATOM 0 HA ASP A 133 4.728 0.550 -27.923 1.00 0.00 H new ATOM 0 HB2 ASP A 133 6.164 2.255 -26.664 1.00 0.00 H new ATOM 0 HB3 ASP A 133 4.990 2.912 -27.787 1.00 0.00 H new ATOM 2021 N GLY A 134 4.047 -0.128 -24.877 1.00 0.00 N ATOM 2022 CA GLY A 134 4.322 -0.910 -23.712 1.00 0.00 C ATOM 2023 C GLY A 134 4.811 -0.038 -22.607 1.00 0.00 C ATOM 2024 O GLY A 134 5.328 -0.550 -21.615 1.00 0.00 O ATOM 0 H GLY A 134 3.091 0.228 -24.899 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.420 -1.436 -23.398 1.00 0.00 H new ATOM 0 HA3 GLY A 134 5.069 -1.669 -23.943 1.00 0.00 H new ATOM 2028 N GLN A 135 4.810 1.303 -22.706 1.00 0.00 N ATOM 2029 CA GLN A 135 5.378 2.195 -21.743 1.00 0.00 C ATOM 2030 C GLN A 135 4.479 3.354 -21.485 1.00 0.00 C ATOM 2031 O GLN A 135 4.144 4.220 -22.292 1.00 0.00 O ATOM 2032 CB GLN A 135 6.814 2.551 -22.164 1.00 0.00 C ATOM 2033 CG GLN A 135 7.093 3.436 -23.380 1.00 0.00 C ATOM 2034 CD GLN A 135 8.554 3.818 -23.568 1.00 0.00 C ATOM 2035 OE1 GLN A 135 9.414 2.954 -23.406 1.00 0.00 O ATOM 2036 NE2 GLN A 135 8.808 5.046 -24.096 1.00 0.00 N ATOM 0 H GLN A 135 4.391 1.790 -23.498 1.00 0.00 H new ATOM 0 HA GLN A 135 5.462 1.710 -20.771 1.00 0.00 H new ATOM 0 HB2 GLN A 135 7.286 3.032 -21.307 1.00 0.00 H new ATOM 0 HB3 GLN A 135 7.338 1.610 -22.330 1.00 0.00 H new ATOM 0 HG2 GLN A 135 6.749 2.918 -24.275 1.00 0.00 H new ATOM 0 HG3 GLN A 135 6.502 4.348 -23.292 1.00 0.00 H new ATOM 0 HE21 GLN A 135 8.051 5.721 -24.205 1.00 0.00 H new ATOM 0 HE22 GLN A 135 9.756 5.292 -24.383 1.00 0.00 H new ATOM 2045 N VAL A 136 4.051 3.519 -20.220 1.00 0.00 N ATOM 2046 CA VAL A 136 2.971 4.346 -19.780 1.00 0.00 C ATOM 2047 C VAL A 136 3.537 5.675 -19.416 1.00 0.00 C ATOM 2048 O VAL A 136 4.242 5.750 -18.411 1.00 0.00 O ATOM 2049 CB VAL A 136 2.216 3.728 -18.641 1.00 0.00 C ATOM 2050 CG1 VAL A 136 0.949 4.492 -18.223 1.00 0.00 C ATOM 2051 CG2 VAL A 136 1.782 2.309 -19.045 1.00 0.00 C ATOM 0 H VAL A 136 4.499 3.033 -19.443 1.00 0.00 H new ATOM 0 HA VAL A 136 2.242 4.459 -20.583 1.00 0.00 H new ATOM 0 HB VAL A 136 2.899 3.744 -17.791 1.00 0.00 H new ATOM 0 HG11 VAL A 136 0.468 3.973 -17.394 1.00 0.00 H new ATOM 0 HG12 VAL A 136 1.219 5.501 -17.912 1.00 0.00 H new ATOM 0 HG13 VAL A 136 0.261 4.544 -19.066 1.00 0.00 H new ATOM 0 HG21 VAL A 136 1.232 1.849 -18.224 1.00 0.00 H new ATOM 0 HG22 VAL A 136 1.143 2.361 -19.926 1.00 0.00 H new ATOM 0 HG23 VAL A 136 2.664 1.709 -19.271 1.00 0.00 H new ATOM 2061 N ASN A 137 3.161 6.716 -20.181 1.00 0.00 N ATOM 2062 CA ASN A 137 3.506 8.082 -19.940 1.00 0.00 C ATOM 2063 C ASN A 137 2.552 8.752 -19.012 1.00 0.00 C ATOM 2064 O ASN A 137 1.498 8.227 -18.658 1.00 0.00 O ATOM 2065 CB ASN A 137 3.954 8.778 -21.236 1.00 0.00 C ATOM 2066 CG ASN A 137 2.878 9.542 -21.994 1.00 0.00 C ATOM 2067 OD1 ASN A 137 2.249 10.460 -21.469 1.00 0.00 O ATOM 2068 ND2 ASN A 137 2.790 9.272 -23.324 1.00 0.00 N ATOM 0 H ASN A 137 2.584 6.596 -21.014 1.00 0.00 H new ATOM 0 HA ASN A 137 4.414 8.164 -19.342 1.00 0.00 H new ATOM 0 HB2 ASN A 137 4.759 9.471 -20.992 1.00 0.00 H new ATOM 0 HB3 ASN A 137 4.373 8.024 -21.903 1.00 0.00 H new ATOM 0 HD21 ASN A 137 2.188 9.839 -23.921 1.00 0.00 H new ATOM 0 HD22 ASN A 137 3.326 8.503 -23.725 1.00 0.00 H new ATOM 2075 N TYR A 138 2.937 9.931 -18.493 1.00 0.00 N ATOM 2076 CA TYR A 138 2.226 10.692 -17.513 1.00 0.00 C ATOM 2077 C TYR A 138 0.851 11.026 -17.980 1.00 0.00 C ATOM 2078 O TYR A 138 -0.167 10.934 -17.297 1.00 0.00 O ATOM 2079 CB TYR A 138 2.929 12.027 -17.211 1.00 0.00 C ATOM 2080 CG TYR A 138 2.140 12.775 -16.192 1.00 0.00 C ATOM 2081 CD1 TYR A 138 1.767 12.228 -14.986 1.00 0.00 C ATOM 2082 CD2 TYR A 138 1.758 14.075 -16.427 1.00 0.00 C ATOM 2083 CE1 TYR A 138 0.940 12.884 -14.104 1.00 0.00 C ATOM 2084 CE2 TYR A 138 1.040 14.766 -15.480 1.00 0.00 C ATOM 2085 CZ TYR A 138 0.514 14.165 -14.361 1.00 0.00 C ATOM 2086 OH TYR A 138 -0.298 14.919 -13.486 1.00 0.00 O ATOM 0 H TYR A 138 3.806 10.383 -18.778 1.00 0.00 H new ATOM 0 HA TYR A 138 2.191 10.069 -16.619 1.00 0.00 H new ATOM 0 HB2 TYR A 138 3.939 11.845 -16.845 1.00 0.00 H new ATOM 0 HB3 TYR A 138 3.022 12.618 -18.122 1.00 0.00 H new ATOM 0 HD1 TYR A 138 2.137 11.248 -14.722 1.00 0.00 H new ATOM 0 HD2 TYR A 138 2.023 14.554 -17.358 1.00 0.00 H new ATOM 0 HE1 TYR A 138 0.622 12.387 -13.200 1.00 0.00 H new ATOM 0 HE2 TYR A 138 0.883 15.825 -15.621 1.00 0.00 H new ATOM 0 HH TYR A 138 -0.472 15.800 -13.878 1.00 0.00 H new ATOM 2096 N GLU A 139 0.630 11.414 -19.249 1.00 0.00 N ATOM 2097 CA GLU A 139 -0.634 11.788 -19.804 1.00 0.00 C ATOM 2098 C GLU A 139 -1.514 10.608 -20.035 1.00 0.00 C ATOM 2099 O GLU A 139 -2.741 10.695 -20.041 1.00 0.00 O ATOM 2100 CB GLU A 139 -0.545 12.631 -21.088 1.00 0.00 C ATOM 2101 CG GLU A 139 -0.128 14.038 -20.656 1.00 0.00 C ATOM 2102 CD GLU A 139 -0.157 14.964 -21.863 1.00 0.00 C ATOM 2103 OE1 GLU A 139 0.722 14.810 -22.753 1.00 0.00 O ATOM 2104 OE2 GLU A 139 -1.061 15.835 -21.974 1.00 0.00 O ATOM 0 H GLU A 139 1.385 11.470 -19.932 1.00 0.00 H new ATOM 0 HA GLU A 139 -1.079 12.428 -19.042 1.00 0.00 H new ATOM 0 HB2 GLU A 139 0.182 12.207 -21.781 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -1.504 12.652 -21.605 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -0.802 14.408 -19.883 1.00 0.00 H new ATOM 0 HG3 GLU A 139 0.872 14.017 -20.224 1.00 0.00 H new ATOM 2111 N GLU A 140 -0.897 9.443 -20.302 1.00 0.00 N ATOM 2112 CA GLU A 140 -1.585 8.190 -20.350 1.00 0.00 C ATOM 2113 C GLU A 140 -1.947 7.693 -18.993 1.00 0.00 C ATOM 2114 O GLU A 140 -3.071 7.255 -18.754 1.00 0.00 O ATOM 2115 CB GLU A 140 -0.775 7.116 -21.096 1.00 0.00 C ATOM 2116 CG GLU A 140 -0.255 7.552 -22.468 1.00 0.00 C ATOM 2117 CD GLU A 140 0.596 6.439 -23.063 1.00 0.00 C ATOM 2118 OE1 GLU A 140 1.761 6.305 -22.604 1.00 0.00 O ATOM 2119 OE2 GLU A 140 0.304 5.758 -24.082 1.00 0.00 O ATOM 0 H GLU A 140 0.103 9.370 -20.489 1.00 0.00 H new ATOM 0 HA GLU A 140 -2.505 8.377 -20.903 1.00 0.00 H new ATOM 0 HB2 GLU A 140 0.073 6.823 -20.477 1.00 0.00 H new ATOM 0 HB3 GLU A 140 -1.399 6.231 -21.222 1.00 0.00 H new ATOM 0 HG2 GLU A 140 -1.090 7.780 -23.130 1.00 0.00 H new ATOM 0 HG3 GLU A 140 0.334 8.464 -22.373 1.00 0.00 H new ATOM 2126 N PHE A 141 -1.127 7.842 -17.937 1.00 0.00 N ATOM 2127 CA PHE A 141 -1.479 7.618 -16.569 1.00 0.00 C ATOM 2128 C PHE A 141 -2.627 8.466 -16.143 1.00 0.00 C ATOM 2129 O PHE A 141 -3.657 7.975 -15.683 1.00 0.00 O ATOM 2130 CB PHE A 141 -0.205 7.901 -15.755 1.00 0.00 C ATOM 2131 CG PHE A 141 -0.390 7.622 -14.303 1.00 0.00 C ATOM 2132 CD1 PHE A 141 -0.130 6.383 -13.765 1.00 0.00 C ATOM 2133 CD2 PHE A 141 -0.731 8.603 -13.401 1.00 0.00 C ATOM 2134 CE1 PHE A 141 0.054 6.196 -12.415 1.00 0.00 C ATOM 2135 CE2 PHE A 141 -0.606 8.459 -12.040 1.00 0.00 C ATOM 2136 CZ PHE A 141 -0.174 7.246 -11.557 1.00 0.00 C ATOM 0 H PHE A 141 -0.157 8.138 -18.046 1.00 0.00 H new ATOM 0 HA PHE A 141 -1.820 6.595 -16.410 1.00 0.00 H new ATOM 0 HB2 PHE A 141 0.612 7.291 -16.139 1.00 0.00 H new ATOM 0 HB3 PHE A 141 0.085 8.943 -15.889 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -0.068 5.530 -14.424 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -1.118 9.536 -13.783 1.00 0.00 H new ATOM 0 HE1 PHE A 141 0.373 5.237 -12.034 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -0.840 9.273 -11.370 1.00 0.00 H new ATOM 0 HZ PHE A 141 -0.013 7.117 -10.497 1.00 0.00 H new ATOM 2146 N VAL A 142 -2.586 9.770 -16.472 1.00 0.00 N ATOM 2147 CA VAL A 142 -3.649 10.689 -16.208 1.00 0.00 C ATOM 2148 C VAL A 142 -4.970 10.281 -16.762 1.00 0.00 C ATOM 2149 O VAL A 142 -6.009 10.105 -16.126 1.00 0.00 O ATOM 2150 CB VAL A 142 -3.370 12.128 -16.528 1.00 0.00 C ATOM 2151 CG1 VAL A 142 -4.541 13.124 -16.477 1.00 0.00 C ATOM 2152 CG2 VAL A 142 -2.405 12.629 -15.441 1.00 0.00 C ATOM 0 H VAL A 142 -1.786 10.199 -16.937 1.00 0.00 H new ATOM 0 HA VAL A 142 -3.709 10.629 -15.121 1.00 0.00 H new ATOM 0 HB VAL A 142 -3.024 12.113 -17.561 1.00 0.00 H new ATOM 0 HG11 VAL A 142 -4.182 14.121 -16.732 1.00 0.00 H new ATOM 0 HG12 VAL A 142 -5.308 12.821 -17.190 1.00 0.00 H new ATOM 0 HG13 VAL A 142 -4.964 13.137 -15.473 1.00 0.00 H new ATOM 0 HG21 VAL A 142 -2.165 13.677 -15.623 1.00 0.00 H new ATOM 0 HG22 VAL A 142 -2.875 12.529 -14.463 1.00 0.00 H new ATOM 0 HG23 VAL A 142 -1.490 12.037 -15.466 1.00 0.00 H new ATOM 2162 N GLN A 143 -4.927 9.885 -18.046 1.00 0.00 N ATOM 2163 CA GLN A 143 -6.126 9.450 -18.691 1.00 0.00 C ATOM 2164 C GLN A 143 -6.743 8.211 -18.140 1.00 0.00 C ATOM 2165 O GLN A 143 -7.965 8.068 -18.139 1.00 0.00 O ATOM 2166 CB GLN A 143 -5.987 9.152 -20.193 1.00 0.00 C ATOM 2167 CG GLN A 143 -5.969 10.399 -21.079 1.00 0.00 C ATOM 2168 CD GLN A 143 -5.705 10.074 -22.542 1.00 0.00 C ATOM 2169 OE1 GLN A 143 -6.624 9.894 -23.339 1.00 0.00 O ATOM 2170 NE2 GLN A 143 -4.414 10.133 -22.966 1.00 0.00 N ATOM 0 H GLN A 143 -4.087 9.865 -18.625 1.00 0.00 H new ATOM 0 HA GLN A 143 -6.750 10.324 -18.502 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -5.068 8.590 -20.357 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -6.812 8.511 -20.503 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -6.925 10.916 -20.992 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -5.202 11.085 -20.719 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -3.662 10.283 -22.293 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -4.197 10.027 -23.957 1.00 0.00 H new ATOM 2179 N MET A 144 -5.940 7.254 -17.642 1.00 0.00 N ATOM 2180 CA MET A 144 -6.213 6.036 -16.944 1.00 0.00 C ATOM 2181 C MET A 144 -6.850 6.329 -15.629 1.00 0.00 C ATOM 2182 O MET A 144 -7.783 5.663 -15.183 1.00 0.00 O ATOM 2183 CB MET A 144 -4.946 5.188 -16.745 1.00 0.00 C ATOM 2184 CG MET A 144 -5.109 3.933 -15.885 1.00 0.00 C ATOM 2185 SD MET A 144 -4.999 4.210 -14.092 1.00 0.00 S ATOM 2186 CE MET A 144 -3.314 4.875 -13.958 1.00 0.00 C ATOM 0 H MET A 144 -4.932 7.361 -17.752 1.00 0.00 H new ATOM 0 HA MET A 144 -6.901 5.454 -17.557 1.00 0.00 H new ATOM 0 HB2 MET A 144 -4.576 4.887 -17.725 1.00 0.00 H new ATOM 0 HB3 MET A 144 -4.179 5.817 -16.294 1.00 0.00 H new ATOM 0 HG2 MET A 144 -6.075 3.481 -16.109 1.00 0.00 H new ATOM 0 HG3 MET A 144 -4.345 3.211 -16.173 1.00 0.00 H new ATOM 0 HE1 MET A 144 -2.920 4.670 -12.962 1.00 0.00 H new ATOM 0 HE2 MET A 144 -2.676 4.402 -14.705 1.00 0.00 H new ATOM 0 HE3 MET A 144 -3.333 5.952 -14.126 1.00 0.00 H new ATOM 2196 N MET A 145 -6.434 7.438 -14.992 1.00 0.00 N ATOM 2197 CA MET A 145 -7.151 7.869 -13.832 1.00 0.00 C ATOM 2198 C MET A 145 -8.527 8.336 -14.162 1.00 0.00 C ATOM 2199 O MET A 145 -9.470 8.235 -13.379 1.00 0.00 O ATOM 2200 CB MET A 145 -6.356 8.837 -12.939 1.00 0.00 C ATOM 2201 CG MET A 145 -5.175 8.109 -12.293 1.00 0.00 C ATOM 2202 SD MET A 145 -4.311 9.285 -11.211 1.00 0.00 S ATOM 2203 CE MET A 145 -3.686 8.171 -9.920 1.00 0.00 C ATOM 0 H MET A 145 -5.638 8.015 -15.263 1.00 0.00 H new ATOM 0 HA MET A 145 -7.282 6.985 -13.209 1.00 0.00 H new ATOM 0 HB2 MET A 145 -5.995 9.677 -13.532 1.00 0.00 H new ATOM 0 HB3 MET A 145 -7.006 9.248 -12.167 1.00 0.00 H new ATOM 0 HG2 MET A 145 -5.525 7.250 -11.720 1.00 0.00 H new ATOM 0 HG3 MET A 145 -4.498 7.728 -13.058 1.00 0.00 H new ATOM 0 HE1 MET A 145 -3.131 8.747 -9.179 1.00 0.00 H new ATOM 0 HE2 MET A 145 -4.524 7.669 -9.436 1.00 0.00 H new ATOM 0 HE3 MET A 145 -3.027 7.427 -10.369 1.00 0.00 H new