USER MOD reduce.3.24.130724 H: found=0, std=0, add=497, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 497 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 5 THR OG1 : rot 10:sc= 0.859 USER MOD Set 1.2: A 8 GLN : amide:sc= -0.0102 X(o=0.85,f=0.67) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -2.17 K(o=-2.2,f=-5.1!) USER MOD Single : A 26 SER OG : rot 170:sc= -0.409 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.675! USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -140:sc= -3.96! (180deg=-9.84!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 84:sc= 0.169 USER MOD Single : A 49 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.6!) USER MOD Single : A 52 MET CE :methyl 161:sc= -1.48 (180deg=-1.7) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=0.79) USER MOD Single : A 60 ASN : amide:sc=-0.00138 K(o=-0.0014,f=-0.66) USER MOD Single : A 61 HIS : no HE2:sc= -12.7! C(o=-13!,f=-17!) USER MOD Single : A 62 GLN : amide:sc= -2.97! C(o=-3!,f=-3.1!) USER MOD Single : A 66 SER OG : rot -96:sc= 0.556 USER MOD Single : A 72 MET CE :methyl -177:sc= -5.66! (180deg=-5.86!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N THR A 5 -10.264 -7.725 -14.261 1.00 0.00 N ATOM 59 CA THR A 5 -11.303 -8.786 -14.131 1.00 0.00 C ATOM 60 C THR A 5 -11.096 -9.572 -12.834 1.00 0.00 C ATOM 61 O THR A 5 -10.376 -9.152 -11.951 1.00 0.00 O ATOM 62 CB THR A 5 -11.097 -9.694 -15.346 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.343 -9.000 -16.331 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.455 -10.089 -15.927 1.00 0.00 C ATOM 0 HA THR A 5 -12.312 -8.374 -14.096 1.00 0.00 H new ATOM 0 HB THR A 5 -10.560 -10.592 -15.041 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.989 -8.171 -15.948 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.307 -10.735 -16.792 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.033 -10.621 -15.171 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.995 -9.193 -16.232 1.00 0.00 H new ATOM 72 N GLU A 6 -11.724 -10.710 -12.713 1.00 0.00 N ATOM 73 CA GLU A 6 -11.562 -11.521 -11.473 1.00 0.00 C ATOM 74 C GLU A 6 -10.097 -11.927 -11.292 1.00 0.00 C ATOM 75 O GLU A 6 -9.404 -11.421 -10.432 1.00 0.00 O ATOM 76 CB GLU A 6 -12.438 -12.756 -11.690 1.00 0.00 C ATOM 77 CG GLU A 6 -13.884 -12.319 -11.938 1.00 0.00 C ATOM 78 CD GLU A 6 -14.762 -12.772 -10.771 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.416 -12.467 -9.642 1.00 0.00 O ATOM 80 OE2 GLU A 6 -15.766 -13.417 -11.025 1.00 0.00 O ATOM 0 H GLU A 6 -12.341 -11.113 -13.418 1.00 0.00 H new ATOM 0 HA GLU A 6 -11.850 -10.969 -10.579 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.070 -13.331 -12.539 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.388 -13.408 -10.818 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.934 -11.235 -12.045 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.250 -12.749 -12.870 1.00 0.00 H new ATOM 87 N GLU A 7 -9.620 -12.837 -12.097 1.00 0.00 N ATOM 88 CA GLU A 7 -8.199 -13.272 -11.971 1.00 0.00 C ATOM 89 C GLU A 7 -7.292 -12.056 -11.769 1.00 0.00 C ATOM 90 O GLU A 7 -6.410 -12.059 -10.933 1.00 0.00 O ATOM 91 CB GLU A 7 -7.878 -13.968 -13.294 1.00 0.00 C ATOM 92 CG GLU A 7 -8.223 -15.454 -13.187 1.00 0.00 C ATOM 93 CD GLU A 7 -9.656 -15.610 -12.673 1.00 0.00 C ATOM 94 OE1 GLU A 7 -9.899 -15.240 -11.536 1.00 0.00 O ATOM 95 OE2 GLU A 7 -10.485 -16.096 -13.425 1.00 0.00 O ATOM 0 H GLU A 7 -10.152 -13.298 -12.836 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.042 -13.931 -11.117 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.445 -13.510 -14.105 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -6.822 -13.846 -13.534 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.121 -15.933 -14.161 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.527 -15.952 -12.512 1.00 0.00 H new ATOM 102 N GLN A 8 -7.502 -11.015 -12.526 1.00 0.00 N ATOM 103 CA GLN A 8 -6.652 -9.799 -12.374 1.00 0.00 C ATOM 104 C GLN A 8 -6.658 -9.335 -10.915 1.00 0.00 C ATOM 105 O GLN A 8 -5.666 -9.430 -10.220 1.00 0.00 O ATOM 106 CB GLN A 8 -7.299 -8.747 -13.274 1.00 0.00 C ATOM 107 CG GLN A 8 -6.209 -7.945 -13.988 1.00 0.00 C ATOM 108 CD GLN A 8 -6.097 -8.412 -15.440 1.00 0.00 C ATOM 109 OE1 GLN A 8 -7.068 -8.395 -16.172 1.00 0.00 O ATOM 110 NE2 GLN A 8 -4.947 -8.833 -15.891 1.00 0.00 N ATOM 0 H GLN A 8 -8.225 -10.953 -13.243 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.613 -9.983 -12.647 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.949 -9.228 -14.005 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.925 -8.081 -12.681 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.445 -6.881 -13.955 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.254 -8.076 -13.479 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.133 -8.847 -15.277 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.863 -9.148 -16.858 1.00 0.00 H new ATOM 119 N ILE A 9 -7.770 -8.838 -10.446 1.00 0.00 N ATOM 120 CA ILE A 9 -7.838 -8.373 -9.031 1.00 0.00 C ATOM 121 C ILE A 9 -7.147 -9.384 -8.114 1.00 0.00 C ATOM 122 O ILE A 9 -6.501 -9.024 -7.149 1.00 0.00 O ATOM 123 CB ILE A 9 -9.331 -8.293 -8.711 1.00 0.00 C ATOM 124 CG1 ILE A 9 -9.987 -7.240 -9.608 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.519 -7.902 -7.245 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.456 -7.077 -9.213 1.00 0.00 C ATOM 0 H ILE A 9 -8.633 -8.734 -10.980 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.339 -7.415 -8.885 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.794 -9.264 -8.889 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.465 -6.288 -9.511 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.911 -7.539 -10.653 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.583 -7.845 -7.017 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.051 -8.651 -6.606 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.057 -6.931 -7.065 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.923 -6.327 -9.851 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.973 -8.029 -9.333 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.520 -6.758 -8.173 1.00 0.00 H new ATOM 138 N ALA A 10 -7.275 -10.649 -8.409 1.00 0.00 N ATOM 139 CA ALA A 10 -6.625 -11.684 -7.556 1.00 0.00 C ATOM 140 C ALA A 10 -5.120 -11.421 -7.465 1.00 0.00 C ATOM 141 O ALA A 10 -4.568 -11.287 -6.391 1.00 0.00 O ATOM 142 CB ALA A 10 -6.897 -13.010 -8.269 1.00 0.00 C ATOM 0 H ALA A 10 -7.802 -11.010 -9.204 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.010 -11.684 -6.536 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.449 -13.826 -7.702 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -7.973 -13.168 -8.345 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -6.463 -12.981 -9.268 1.00 0.00 H new ATOM 148 N GLU A 11 -4.453 -11.345 -8.584 1.00 0.00 N ATOM 149 CA GLU A 11 -2.984 -11.088 -8.559 1.00 0.00 C ATOM 150 C GLU A 11 -2.691 -9.787 -7.809 1.00 0.00 C ATOM 151 O GLU A 11 -1.644 -9.624 -7.214 1.00 0.00 O ATOM 152 CB GLU A 11 -2.579 -10.966 -10.028 1.00 0.00 C ATOM 153 CG GLU A 11 -2.519 -12.358 -10.660 1.00 0.00 C ATOM 154 CD GLU A 11 -2.095 -12.236 -12.125 1.00 0.00 C ATOM 155 OE1 GLU A 11 -1.941 -11.117 -12.585 1.00 0.00 O ATOM 156 OE2 GLU A 11 -1.933 -13.264 -12.762 1.00 0.00 O ATOM 0 H GLU A 11 -4.860 -11.449 -9.513 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.433 -11.879 -8.050 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.296 -10.343 -10.563 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.608 -10.476 -10.109 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.812 -12.985 -10.117 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.493 -12.842 -10.591 1.00 0.00 H new ATOM 163 N PHE A 12 -3.608 -8.860 -7.831 1.00 0.00 N ATOM 164 CA PHE A 12 -3.383 -7.570 -7.117 1.00 0.00 C ATOM 165 C PHE A 12 -3.468 -7.784 -5.603 1.00 0.00 C ATOM 166 O PHE A 12 -2.650 -7.294 -4.851 1.00 0.00 O ATOM 167 CB PHE A 12 -4.508 -6.650 -7.595 1.00 0.00 C ATOM 168 CG PHE A 12 -4.171 -6.112 -8.965 1.00 0.00 C ATOM 169 CD1 PHE A 12 -4.000 -6.993 -10.040 1.00 0.00 C ATOM 170 CD2 PHE A 12 -4.031 -4.733 -9.160 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.689 -6.495 -11.310 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.721 -4.235 -10.431 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.549 -5.114 -11.506 1.00 0.00 C ATOM 0 H PHE A 12 -4.504 -8.939 -8.312 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.399 -7.149 -7.323 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.450 -7.197 -7.629 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.643 -5.827 -6.893 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.108 -8.057 -9.889 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.162 -4.054 -8.331 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.557 -7.174 -12.139 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.614 -3.171 -10.582 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.309 -4.729 -12.486 1.00 0.00 H new ATOM 183 N LYS A 13 -4.453 -8.512 -5.152 1.00 0.00 N ATOM 184 CA LYS A 13 -4.585 -8.756 -3.687 1.00 0.00 C ATOM 185 C LYS A 13 -3.352 -9.499 -3.166 1.00 0.00 C ATOM 186 O LYS A 13 -2.650 -9.022 -2.296 1.00 0.00 O ATOM 187 CB LYS A 13 -5.836 -9.623 -3.540 1.00 0.00 C ATOM 188 CG LYS A 13 -5.888 -10.211 -2.128 1.00 0.00 C ATOM 189 CD LYS A 13 -6.033 -9.079 -1.109 1.00 0.00 C ATOM 190 CE LYS A 13 -7.435 -9.118 -0.496 1.00 0.00 C ATOM 191 NZ LYS A 13 -7.211 -9.315 0.963 1.00 0.00 N ATOM 0 H LYS A 13 -5.170 -8.947 -5.732 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.664 -7.830 -3.118 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.729 -9.027 -3.730 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.825 -10.424 -4.279 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.726 -10.902 -2.041 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.982 -10.782 -1.927 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.280 -9.181 -0.327 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.863 -8.117 -1.592 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.977 -8.193 -0.691 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.028 -9.930 -0.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -8.128 -9.352 1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.699 -10.207 1.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.650 -8.524 1.338 1.00 0.00 H new ATOM 205 N GLU A 14 -3.081 -10.662 -3.693 1.00 0.00 N ATOM 206 CA GLU A 14 -1.892 -11.430 -3.228 1.00 0.00 C ATOM 207 C GLU A 14 -0.650 -10.535 -3.253 1.00 0.00 C ATOM 208 O GLU A 14 0.186 -10.593 -2.374 1.00 0.00 O ATOM 209 CB GLU A 14 -1.747 -12.580 -4.225 1.00 0.00 C ATOM 210 CG GLU A 14 -2.047 -13.905 -3.523 1.00 0.00 C ATOM 211 CD GLU A 14 -3.437 -14.397 -3.931 1.00 0.00 C ATOM 212 OE1 GLU A 14 -3.662 -14.555 -5.120 1.00 0.00 O ATOM 213 OE2 GLU A 14 -4.252 -14.608 -3.049 1.00 0.00 O ATOM 0 H GLU A 14 -3.631 -11.113 -4.424 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.005 -11.792 -2.206 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.430 -12.437 -5.063 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.737 -12.594 -4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.295 -14.648 -3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.999 -13.775 -2.442 1.00 0.00 H new ATOM 220 N ALA A 15 -0.527 -9.707 -4.255 1.00 0.00 N ATOM 221 CA ALA A 15 0.659 -8.805 -4.336 1.00 0.00 C ATOM 222 C ALA A 15 0.607 -7.766 -3.212 1.00 0.00 C ATOM 223 O ALA A 15 1.386 -7.807 -2.281 1.00 0.00 O ATOM 224 CB ALA A 15 0.545 -8.126 -5.701 1.00 0.00 C ATOM 0 H ALA A 15 -1.195 -9.616 -5.020 1.00 0.00 H new ATOM 0 HA ALA A 15 1.600 -9.345 -4.227 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.383 -7.443 -5.839 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.560 -8.882 -6.486 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.390 -7.568 -5.753 1.00 0.00 H new ATOM 230 N PHE A 16 -0.305 -6.837 -3.294 1.00 0.00 N ATOM 231 CA PHE A 16 -0.412 -5.794 -2.232 1.00 0.00 C ATOM 232 C PHE A 16 -0.230 -6.423 -0.848 1.00 0.00 C ATOM 233 O PHE A 16 0.549 -5.956 -0.041 1.00 0.00 O ATOM 234 CB PHE A 16 -1.824 -5.229 -2.380 1.00 0.00 C ATOM 235 CG PHE A 16 -1.996 -4.053 -1.450 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.589 -2.776 -1.853 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.567 -4.240 -0.185 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.751 -1.685 -0.991 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.730 -3.149 0.677 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.322 -1.872 0.274 1.00 0.00 C ATOM 0 H PHE A 16 -0.983 -6.754 -4.052 1.00 0.00 H new ATOM 0 HA PHE A 16 0.352 -5.023 -2.331 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.997 -4.919 -3.411 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.561 -5.999 -2.150 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -1.150 -2.632 -2.829 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.881 -5.225 0.125 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.436 -0.700 -1.301 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.170 -3.293 1.653 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.448 -1.030 0.939 1.00 0.00 H new ATOM 250 N ALA A 17 -0.946 -7.477 -0.568 1.00 0.00 N ATOM 251 CA ALA A 17 -0.818 -8.133 0.765 1.00 0.00 C ATOM 252 C ALA A 17 0.556 -8.795 0.906 1.00 0.00 C ATOM 253 O ALA A 17 1.086 -8.919 1.993 1.00 0.00 O ATOM 254 CB ALA A 17 -1.926 -9.186 0.793 1.00 0.00 C ATOM 0 H ALA A 17 -1.614 -7.913 -1.204 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.908 -7.420 1.585 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.900 -9.716 1.745 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.894 -8.699 0.675 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.775 -9.895 -0.021 1.00 0.00 H new ATOM 260 N LEU A 18 1.138 -9.223 -0.181 1.00 0.00 N ATOM 261 CA LEU A 18 2.476 -9.877 -0.100 1.00 0.00 C ATOM 262 C LEU A 18 3.465 -8.972 0.641 1.00 0.00 C ATOM 263 O LEU A 18 4.489 -9.417 1.119 1.00 0.00 O ATOM 264 CB LEU A 18 2.914 -10.073 -1.552 1.00 0.00 C ATOM 265 CG LEU A 18 3.246 -11.547 -1.789 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.157 -11.857 -3.284 1.00 0.00 C ATOM 267 CD2 LEU A 18 4.666 -11.835 -1.294 1.00 0.00 C ATOM 0 H LEU A 18 0.746 -9.149 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 18 2.439 -10.821 0.445 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.121 -9.754 -2.229 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.785 -9.454 -1.767 1.00 0.00 H new ATOM 0 HG LEU A 18 2.536 -12.171 -1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.394 -12.908 -3.452 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.147 -11.651 -3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.867 -11.233 -3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.904 -12.885 -1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.375 -11.211 -1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.732 -11.614 -0.229 1.00 0.00 H new ATOM 279 N PHE A 19 3.165 -7.705 0.743 1.00 0.00 N ATOM 280 CA PHE A 19 4.090 -6.777 1.455 1.00 0.00 C ATOM 281 C PHE A 19 3.344 -6.041 2.572 1.00 0.00 C ATOM 282 O PHE A 19 3.806 -5.044 3.089 1.00 0.00 O ATOM 283 CB PHE A 19 4.564 -5.788 0.388 1.00 0.00 C ATOM 284 CG PHE A 19 4.949 -6.542 -0.863 1.00 0.00 C ATOM 285 CD1 PHE A 19 3.975 -6.855 -1.818 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.279 -6.927 -1.068 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.329 -7.554 -2.977 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.634 -7.625 -2.229 1.00 0.00 C ATOM 289 CZ PHE A 19 5.659 -7.938 -3.183 1.00 0.00 C ATOM 0 H PHE A 19 2.322 -7.273 0.365 1.00 0.00 H new ATOM 0 HA PHE A 19 4.923 -7.304 1.920 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.774 -5.071 0.165 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.416 -5.218 0.758 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.949 -6.557 -1.660 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.031 -6.686 -0.331 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.576 -7.797 -3.712 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.660 -7.922 -2.388 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.933 -8.476 -4.078 1.00 0.00 H new ATOM 299 N ASP A 20 2.191 -6.526 2.946 1.00 0.00 N ATOM 300 CA ASP A 20 1.417 -5.855 4.030 1.00 0.00 C ATOM 301 C ASP A 20 2.137 -6.012 5.371 1.00 0.00 C ATOM 302 O ASP A 20 1.910 -6.956 6.101 1.00 0.00 O ATOM 303 CB ASP A 20 0.068 -6.575 4.057 1.00 0.00 C ATOM 304 CG ASP A 20 0.283 -8.048 4.407 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.403 -8.512 4.272 1.00 0.00 O ATOM 306 OD2 ASP A 20 -0.677 -8.687 4.805 1.00 0.00 O ATOM 0 H ASP A 20 1.752 -7.357 2.549 1.00 0.00 H new ATOM 0 HA ASP A 20 1.305 -4.785 3.855 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.591 -6.109 4.790 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.422 -6.488 3.087 1.00 0.00 H new ATOM 311 N LYS A 21 3.002 -5.093 5.702 1.00 0.00 N ATOM 312 CA LYS A 21 3.737 -5.191 6.996 1.00 0.00 C ATOM 313 C LYS A 21 2.761 -5.055 8.168 1.00 0.00 C ATOM 314 O LYS A 21 2.832 -5.783 9.136 1.00 0.00 O ATOM 315 CB LYS A 21 4.725 -4.025 6.980 1.00 0.00 C ATOM 316 CG LYS A 21 5.536 -4.026 8.277 1.00 0.00 C ATOM 317 CD LYS A 21 6.972 -4.463 7.979 1.00 0.00 C ATOM 318 CE LYS A 21 7.592 -3.516 6.949 1.00 0.00 C ATOM 319 NZ LYS A 21 8.853 -3.035 7.579 1.00 0.00 N ATOM 0 H LYS A 21 3.232 -4.278 5.133 1.00 0.00 H new ATOM 0 HA LYS A 21 4.242 -6.150 7.114 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.391 -4.111 6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.189 -3.082 6.874 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.532 -3.031 8.722 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.082 -4.701 9.002 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.562 -4.457 8.895 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.981 -5.485 7.600 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.792 -4.031 6.009 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.922 -2.686 6.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.336 -2.380 6.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.631 -2.543 8.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 9.473 -3.846 7.777 1.00 0.00 H new ATOM 333 N ASP A 22 1.849 -4.124 8.087 1.00 0.00 N ATOM 334 CA ASP A 22 0.869 -3.941 9.197 1.00 0.00 C ATOM 335 C ASP A 22 -0.155 -5.078 9.190 1.00 0.00 C ATOM 336 O ASP A 22 -0.972 -5.197 10.082 1.00 0.00 O ATOM 337 CB ASP A 22 0.188 -2.603 8.908 1.00 0.00 C ATOM 338 CG ASP A 22 0.736 -1.536 9.858 1.00 0.00 C ATOM 339 OD1 ASP A 22 1.854 -1.099 9.645 1.00 0.00 O ATOM 340 OD2 ASP A 22 0.026 -1.175 10.783 1.00 0.00 O ATOM 0 H ASP A 22 1.740 -3.483 7.301 1.00 0.00 H new ATOM 0 HA ASP A 22 1.347 -3.951 10.176 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.364 -2.309 7.873 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.891 -2.697 9.033 1.00 0.00 H new ATOM 345 N ASN A 23 -0.120 -5.915 8.190 1.00 0.00 N ATOM 346 CA ASN A 23 -1.092 -7.045 8.127 1.00 0.00 C ATOM 347 C ASN A 23 -2.526 -6.509 8.151 1.00 0.00 C ATOM 348 O ASN A 23 -3.468 -7.238 8.392 1.00 0.00 O ATOM 349 CB ASN A 23 -0.811 -7.879 9.377 1.00 0.00 C ATOM 350 CG ASN A 23 0.239 -8.944 9.055 1.00 0.00 C ATOM 351 OD1 ASN A 23 -0.070 -9.959 8.462 1.00 0.00 O ATOM 352 ND2 ASN A 23 1.477 -8.754 9.421 1.00 0.00 N ATOM 0 H ASN A 23 0.539 -5.866 7.413 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.986 -7.631 7.214 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.457 -7.237 10.184 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.729 -8.352 9.725 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.185 -9.457 9.209 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.737 -7.902 9.919 1.00 0.00 H new ATOM 359 N ASN A 24 -2.699 -5.240 7.902 1.00 0.00 N ATOM 360 CA ASN A 24 -4.073 -4.659 7.911 1.00 0.00 C ATOM 361 C ASN A 24 -4.476 -4.231 6.497 1.00 0.00 C ATOM 362 O ASN A 24 -4.880 -3.108 6.269 1.00 0.00 O ATOM 363 CB ASN A 24 -3.984 -3.444 8.835 1.00 0.00 C ATOM 364 CG ASN A 24 -3.390 -3.868 10.180 1.00 0.00 C ATOM 365 OD1 ASN A 24 -3.412 -5.032 10.527 1.00 0.00 O ATOM 366 ND2 ASN A 24 -2.858 -2.964 10.957 1.00 0.00 N ATOM 0 H ASN A 24 -1.950 -4.580 7.693 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.822 -5.375 8.251 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.364 -2.672 8.379 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.974 -3.013 8.982 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.460 -3.235 11.856 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -2.840 -1.987 10.665 1.00 0.00 H new ATOM 373 N GLY A 25 -4.367 -5.117 5.545 1.00 0.00 N ATOM 374 CA GLY A 25 -4.744 -4.761 4.148 1.00 0.00 C ATOM 375 C GLY A 25 -4.137 -3.404 3.785 1.00 0.00 C ATOM 376 O GLY A 25 -4.680 -2.664 2.989 1.00 0.00 O ATOM 0 H GLY A 25 -4.033 -6.072 5.674 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.389 -5.526 3.458 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.829 -4.723 4.051 1.00 0.00 H new ATOM 380 N SER A 26 -3.014 -3.072 4.362 1.00 0.00 N ATOM 381 CA SER A 26 -2.374 -1.762 4.048 1.00 0.00 C ATOM 382 C SER A 26 -0.864 -1.941 3.870 1.00 0.00 C ATOM 383 O SER A 26 -0.247 -2.769 4.511 1.00 0.00 O ATOM 384 CB SER A 26 -2.670 -0.877 5.257 1.00 0.00 C ATOM 385 OG SER A 26 -2.500 -1.636 6.448 1.00 0.00 O ATOM 0 H SER A 26 -2.512 -3.650 5.036 1.00 0.00 H new ATOM 0 HA SER A 26 -2.753 -1.328 3.123 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.003 -0.015 5.263 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.688 -0.492 5.200 1.00 0.00 H new ATOM 0 HG SER A 26 -2.530 -1.038 7.224 1.00 0.00 H new ATOM 391 N ILE A 27 -0.265 -1.171 3.004 1.00 0.00 N ATOM 392 CA ILE A 27 1.206 -1.299 2.786 1.00 0.00 C ATOM 393 C ILE A 27 1.847 0.087 2.671 1.00 0.00 C ATOM 394 O ILE A 27 1.233 1.029 2.210 1.00 0.00 O ATOM 395 CB ILE A 27 1.347 -2.065 1.469 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.987 -1.141 0.301 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.403 -3.269 1.474 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.215 -1.876 -1.022 1.00 0.00 C ATOM 0 H ILE A 27 -0.728 -0.460 2.438 1.00 0.00 H new ATOM 0 HA ILE A 27 1.702 -1.811 3.611 1.00 0.00 H new ATOM 0 HB ILE A 27 2.375 -2.410 1.358 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.054 -0.827 0.380 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.596 -0.238 0.337 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.504 -3.814 0.536 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.657 -3.927 2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.625 -2.925 1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.959 -1.218 -1.853 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.262 -2.168 -1.100 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.587 -2.766 -1.057 1.00 0.00 H new ATOM 410 N SER A 28 3.078 0.218 3.082 1.00 0.00 N ATOM 411 CA SER A 28 3.756 1.542 2.990 1.00 0.00 C ATOM 412 C SER A 28 4.034 1.886 1.525 1.00 0.00 C ATOM 413 O SER A 28 4.177 1.015 0.691 1.00 0.00 O ATOM 414 CB SER A 28 5.064 1.373 3.760 1.00 0.00 C ATOM 415 OG SER A 28 5.191 2.425 4.707 1.00 0.00 O ATOM 0 H SER A 28 3.643 -0.533 3.477 1.00 0.00 H new ATOM 0 HA SER A 28 3.148 2.349 3.398 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.079 0.408 4.267 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.909 1.384 3.071 1.00 0.00 H new ATOM 0 HG SER A 28 6.029 2.318 5.204 1.00 0.00 H new ATOM 421 N SER A 29 4.112 3.148 1.204 1.00 0.00 N ATOM 422 CA SER A 29 4.381 3.540 -0.210 1.00 0.00 C ATOM 423 C SER A 29 5.534 2.708 -0.778 1.00 0.00 C ATOM 424 O SER A 29 5.386 2.020 -1.768 1.00 0.00 O ATOM 425 CB SER A 29 4.762 5.018 -0.147 1.00 0.00 C ATOM 426 OG SER A 29 6.170 5.134 0.009 1.00 0.00 O ATOM 0 H SER A 29 4.002 3.924 1.857 1.00 0.00 H new ATOM 0 HA SER A 29 3.520 3.371 -0.857 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.442 5.527 -1.056 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.251 5.502 0.686 1.00 0.00 H new ATOM 0 HG SER A 29 6.418 6.081 0.048 1.00 0.00 H new ATOM 432 N SER A 30 6.680 2.763 -0.157 1.00 0.00 N ATOM 433 CA SER A 30 7.838 1.972 -0.663 1.00 0.00 C ATOM 434 C SER A 30 7.389 0.552 -1.019 1.00 0.00 C ATOM 435 O SER A 30 7.983 -0.108 -1.849 1.00 0.00 O ATOM 436 CB SER A 30 8.835 1.946 0.494 1.00 0.00 C ATOM 437 OG SER A 30 9.945 1.129 0.139 1.00 0.00 O ATOM 0 H SER A 30 6.865 3.320 0.677 1.00 0.00 H new ATOM 0 HA SER A 30 8.273 2.404 -1.564 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.171 2.957 0.722 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.356 1.559 1.393 1.00 0.00 H new ATOM 0 HG SER A 30 10.588 1.111 0.879 1.00 0.00 H new ATOM 443 N GLU A 31 6.344 0.080 -0.399 1.00 0.00 N ATOM 444 CA GLU A 31 5.854 -1.295 -0.702 1.00 0.00 C ATOM 445 C GLU A 31 4.984 -1.280 -1.961 1.00 0.00 C ATOM 446 O GLU A 31 5.002 -2.204 -2.752 1.00 0.00 O ATOM 447 CB GLU A 31 5.025 -1.699 0.518 1.00 0.00 C ATOM 448 CG GLU A 31 5.831 -1.435 1.792 1.00 0.00 C ATOM 449 CD GLU A 31 7.061 -2.345 1.816 1.00 0.00 C ATOM 450 OE1 GLU A 31 8.088 -1.933 1.304 1.00 0.00 O ATOM 451 OE2 GLU A 31 6.954 -3.438 2.347 1.00 0.00 O ATOM 0 H GLU A 31 5.807 0.587 0.305 1.00 0.00 H new ATOM 0 HA GLU A 31 6.671 -1.993 -0.888 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.093 -1.134 0.541 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.757 -2.754 0.456 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.138 -0.390 1.831 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.213 -1.618 2.671 1.00 0.00 H new ATOM 458 N LEU A 32 4.222 -0.237 -2.156 1.00 0.00 N ATOM 459 CA LEU A 32 3.355 -0.166 -3.366 1.00 0.00 C ATOM 460 C LEU A 32 4.208 -0.292 -4.631 1.00 0.00 C ATOM 461 O LEU A 32 3.830 -0.943 -5.584 1.00 0.00 O ATOM 462 CB LEU A 32 2.690 1.210 -3.302 1.00 0.00 C ATOM 463 CG LEU A 32 1.901 1.456 -4.588 1.00 0.00 C ATOM 464 CD1 LEU A 32 0.836 0.370 -4.751 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.221 2.826 -4.513 1.00 0.00 C ATOM 0 H LEU A 32 4.163 0.567 -1.531 1.00 0.00 H new ATOM 0 HA LEU A 32 2.619 -0.970 -3.395 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.026 1.265 -2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.445 1.985 -3.172 1.00 0.00 H new ATOM 0 HG LEU A 32 2.580 1.430 -5.440 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.274 0.546 -5.668 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.317 -0.607 -4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.157 0.396 -3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.658 3.003 -5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.543 2.849 -3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.978 3.602 -4.396 1.00 0.00 H new ATOM 477 N ALA A 33 5.360 0.321 -4.644 1.00 0.00 N ATOM 478 CA ALA A 33 6.238 0.228 -5.845 1.00 0.00 C ATOM 479 C ALA A 33 6.515 -1.241 -6.170 1.00 0.00 C ATOM 480 O ALA A 33 6.490 -1.649 -7.315 1.00 0.00 O ATOM 481 CB ALA A 33 7.529 0.946 -5.452 1.00 0.00 C ATOM 0 H ALA A 33 5.731 0.881 -3.876 1.00 0.00 H new ATOM 0 HA ALA A 33 5.784 0.674 -6.730 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.229 0.920 -6.287 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.306 1.982 -5.198 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.974 0.449 -4.590 1.00 0.00 H new ATOM 487 N THR A 34 6.773 -2.040 -5.171 1.00 0.00 N ATOM 488 CA THR A 34 7.044 -3.483 -5.425 1.00 0.00 C ATOM 489 C THR A 34 5.796 -4.148 -6.009 1.00 0.00 C ATOM 490 O THR A 34 5.785 -4.576 -7.146 1.00 0.00 O ATOM 491 CB THR A 34 7.376 -4.077 -4.056 1.00 0.00 C ATOM 492 OG1 THR A 34 8.624 -3.568 -3.610 1.00 0.00 O ATOM 493 CG2 THR A 34 7.453 -5.599 -4.170 1.00 0.00 C ATOM 0 H THR A 34 6.808 -1.757 -4.192 1.00 0.00 H new ATOM 0 HA THR A 34 7.856 -3.634 -6.137 1.00 0.00 H new ATOM 0 HB THR A 34 6.599 -3.806 -3.341 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.837 -3.947 -2.732 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.690 -6.025 -3.195 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.494 -5.987 -4.513 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.231 -5.872 -4.884 1.00 0.00 H new ATOM 501 N VAL A 35 4.742 -4.233 -5.243 1.00 0.00 N ATOM 502 CA VAL A 35 3.496 -4.863 -5.764 1.00 0.00 C ATOM 503 C VAL A 35 3.219 -4.358 -7.181 1.00 0.00 C ATOM 504 O VAL A 35 2.693 -5.066 -8.018 1.00 0.00 O ATOM 505 CB VAL A 35 2.391 -4.409 -4.809 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.681 -4.933 -3.402 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.339 -2.880 -4.780 1.00 0.00 C ATOM 0 H VAL A 35 4.690 -3.895 -4.282 1.00 0.00 H new ATOM 0 HA VAL A 35 3.566 -5.950 -5.813 1.00 0.00 H new ATOM 0 HB VAL A 35 1.434 -4.801 -5.152 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.892 -4.608 -2.723 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.719 -6.022 -3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.639 -4.542 -3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.552 -2.556 -4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.298 -2.490 -4.438 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.131 -2.504 -5.782 1.00 0.00 H new ATOM 517 N MET A 36 3.574 -3.130 -7.452 1.00 0.00 N ATOM 518 CA MET A 36 3.338 -2.561 -8.809 1.00 0.00 C ATOM 519 C MET A 36 4.071 -3.387 -9.871 1.00 0.00 C ATOM 520 O MET A 36 3.464 -3.953 -10.758 1.00 0.00 O ATOM 521 CB MET A 36 3.908 -1.143 -8.741 1.00 0.00 C ATOM 522 CG MET A 36 3.266 -0.279 -9.829 1.00 0.00 C ATOM 523 SD MET A 36 1.476 -0.207 -9.566 1.00 0.00 S ATOM 524 CE MET A 36 0.992 -0.180 -11.310 1.00 0.00 C ATOM 0 H MET A 36 4.019 -2.495 -6.789 1.00 0.00 H new ATOM 0 HA MET A 36 2.283 -2.567 -9.083 1.00 0.00 H new ATOM 0 HB2 MET A 36 3.717 -0.710 -7.759 1.00 0.00 H new ATOM 0 HB3 MET A 36 4.990 -1.168 -8.874 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.688 0.726 -9.807 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.483 -0.694 -10.813 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.164 0.515 -11.447 1.00 0.00 H new ATOM 0 HE2 MET A 36 1.839 0.140 -11.918 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.682 -1.179 -11.617 1.00 0.00 H new ATOM 534 N ARG A 37 5.372 -3.460 -9.790 1.00 0.00 N ATOM 535 CA ARG A 37 6.138 -4.248 -10.799 1.00 0.00 C ATOM 536 C ARG A 37 5.885 -5.747 -10.609 1.00 0.00 C ATOM 537 O ARG A 37 6.112 -6.543 -11.501 1.00 0.00 O ATOM 538 CB ARG A 37 7.605 -3.915 -10.529 1.00 0.00 C ATOM 539 CG ARG A 37 8.050 -2.779 -11.451 1.00 0.00 C ATOM 540 CD ARG A 37 9.201 -2.011 -10.798 1.00 0.00 C ATOM 541 NE ARG A 37 10.409 -2.846 -11.048 1.00 0.00 N ATOM 542 CZ ARG A 37 11.549 -2.277 -11.332 1.00 0.00 C ATOM 543 NH1 ARG A 37 11.794 -1.064 -10.917 1.00 0.00 N ATOM 544 NH2 ARG A 37 12.444 -2.920 -12.031 1.00 0.00 N ATOM 0 H ARG A 37 5.937 -3.009 -9.070 1.00 0.00 H new ATOM 0 HA ARG A 37 5.844 -4.005 -11.820 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.737 -3.624 -9.487 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.225 -4.796 -10.695 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.367 -3.181 -12.413 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.215 -2.106 -11.646 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.310 -1.018 -11.233 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.029 -1.874 -9.730 1.00 0.00 H new ATOM 0 HE ARG A 37 10.345 -3.863 -10.997 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.095 -0.561 -10.371 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.685 -0.619 -11.139 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.253 -3.868 -12.356 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.335 -2.475 -12.253 1.00 0.00 H new ATOM 558 N SER A 38 5.422 -6.141 -9.454 1.00 0.00 N ATOM 559 CA SER A 38 5.161 -7.587 -9.207 1.00 0.00 C ATOM 560 C SER A 38 3.983 -8.071 -10.056 1.00 0.00 C ATOM 561 O SER A 38 3.942 -9.207 -10.487 1.00 0.00 O ATOM 562 CB SER A 38 4.822 -7.679 -7.720 1.00 0.00 C ATOM 563 OG SER A 38 6.022 -7.839 -6.975 1.00 0.00 O ATOM 0 H SER A 38 5.213 -5.523 -8.670 1.00 0.00 H new ATOM 0 HA SER A 38 6.016 -8.209 -9.472 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.298 -6.779 -7.398 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.153 -8.520 -7.539 1.00 0.00 H new ATOM 0 HG SER A 38 5.809 -7.897 -6.020 1.00 0.00 H new ATOM 569 N LEU A 39 3.023 -7.223 -10.299 1.00 0.00 N ATOM 570 CA LEU A 39 1.851 -7.646 -11.120 1.00 0.00 C ATOM 571 C LEU A 39 2.297 -7.981 -12.545 1.00 0.00 C ATOM 572 O LEU A 39 1.689 -8.787 -13.223 1.00 0.00 O ATOM 573 CB LEU A 39 0.904 -6.443 -11.123 1.00 0.00 C ATOM 574 CG LEU A 39 0.081 -6.425 -9.831 1.00 0.00 C ATOM 575 CD1 LEU A 39 -1.004 -5.353 -9.933 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.578 -7.791 -9.621 1.00 0.00 C ATOM 0 H LEU A 39 2.998 -6.259 -9.967 1.00 0.00 H new ATOM 0 HA LEU A 39 1.370 -8.538 -10.718 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.476 -5.519 -11.213 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.241 -6.493 -11.986 1.00 0.00 H new ATOM 0 HG LEU A 39 0.738 -6.204 -8.989 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.590 -5.340 -9.014 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.540 -4.378 -10.081 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.657 -5.576 -10.777 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.163 -7.775 -8.701 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.233 -8.012 -10.464 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.192 -8.559 -9.548 1.00 0.00 H new ATOM 588 N GLY A 40 3.356 -7.374 -13.008 1.00 0.00 N ATOM 589 CA GLY A 40 3.837 -7.666 -14.388 1.00 0.00 C ATOM 590 C GLY A 40 4.104 -6.354 -15.129 1.00 0.00 C ATOM 591 O GLY A 40 3.881 -6.245 -16.318 1.00 0.00 O ATOM 0 H GLY A 40 3.908 -6.690 -12.491 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.748 -8.264 -14.347 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.093 -8.254 -14.926 1.00 0.00 H new ATOM 595 N LEU A 41 4.583 -5.358 -14.436 1.00 0.00 N ATOM 596 CA LEU A 41 4.867 -4.054 -15.104 1.00 0.00 C ATOM 597 C LEU A 41 6.186 -3.472 -14.588 1.00 0.00 C ATOM 598 O LEU A 41 6.838 -4.047 -13.739 1.00 0.00 O ATOM 599 CB LEU A 41 3.694 -3.145 -14.727 1.00 0.00 C ATOM 600 CG LEU A 41 3.353 -3.326 -13.247 1.00 0.00 C ATOM 601 CD1 LEU A 41 2.879 -1.994 -12.665 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.241 -4.368 -13.105 1.00 0.00 C ATOM 0 H LEU A 41 4.790 -5.389 -13.438 1.00 0.00 H new ATOM 0 HA LEU A 41 4.967 -4.159 -16.184 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.950 -2.104 -14.926 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.826 -3.383 -15.341 1.00 0.00 H new ATOM 0 HG LEU A 41 4.239 -3.662 -12.709 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.636 -2.124 -11.610 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.670 -1.251 -12.767 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.993 -1.657 -13.203 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.997 -4.498 -12.051 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.355 -4.031 -13.644 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.578 -5.318 -13.519 1.00 0.00 H new ATOM 614 N SER A 42 6.585 -2.338 -15.097 1.00 0.00 N ATOM 615 CA SER A 42 7.862 -1.724 -14.635 1.00 0.00 C ATOM 616 C SER A 42 7.959 -0.273 -15.115 1.00 0.00 C ATOM 617 O SER A 42 8.515 0.000 -16.160 1.00 0.00 O ATOM 618 CB SER A 42 8.961 -2.574 -15.272 1.00 0.00 C ATOM 619 OG SER A 42 10.162 -2.424 -14.526 1.00 0.00 O ATOM 0 H SER A 42 6.083 -1.811 -15.812 1.00 0.00 H new ATOM 0 HA SER A 42 7.940 -1.702 -13.548 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.661 -3.622 -15.293 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.121 -2.268 -16.306 1.00 0.00 H new ATOM 0 HG SER A 42 10.869 -2.969 -14.931 1.00 0.00 H new ATOM 625 N PRO A 43 7.412 0.609 -14.326 1.00 0.00 N ATOM 626 CA PRO A 43 7.435 2.054 -14.665 1.00 0.00 C ATOM 627 C PRO A 43 8.847 2.620 -14.495 1.00 0.00 C ATOM 628 O PRO A 43 9.821 1.892 -14.498 1.00 0.00 O ATOM 629 CB PRO A 43 6.473 2.672 -13.653 1.00 0.00 C ATOM 630 CG PRO A 43 6.466 1.723 -12.497 1.00 0.00 C ATOM 631 CD PRO A 43 6.728 0.350 -13.056 1.00 0.00 C ATOM 0 HA PRO A 43 7.150 2.259 -15.697 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.805 3.664 -13.347 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.475 2.786 -14.076 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.230 1.996 -11.769 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.507 1.752 -11.979 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.347 -0.244 -12.383 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.801 -0.203 -13.207 1.00 0.00 H new ATOM 639 N SER A 44 8.968 3.911 -14.346 1.00 0.00 N ATOM 640 CA SER A 44 10.319 4.517 -14.177 1.00 0.00 C ATOM 641 C SER A 44 10.319 5.487 -12.991 1.00 0.00 C ATOM 642 O SER A 44 9.280 5.896 -12.513 1.00 0.00 O ATOM 643 CB SER A 44 10.584 5.266 -15.482 1.00 0.00 C ATOM 644 OG SER A 44 9.879 4.629 -16.540 1.00 0.00 O ATOM 0 H SER A 44 8.191 4.571 -14.334 1.00 0.00 H new ATOM 0 HA SER A 44 11.085 3.768 -13.975 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.265 6.304 -15.390 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.652 5.279 -15.697 1.00 0.00 H new ATOM 0 HG SER A 44 8.954 4.952 -16.557 1.00 0.00 H new ATOM 650 N GLU A 45 11.477 5.857 -12.515 1.00 0.00 N ATOM 651 CA GLU A 45 11.541 6.799 -11.361 1.00 0.00 C ATOM 652 C GLU A 45 10.526 7.930 -11.548 1.00 0.00 C ATOM 653 O GLU A 45 9.603 8.082 -10.773 1.00 0.00 O ATOM 654 CB GLU A 45 12.968 7.349 -11.378 1.00 0.00 C ATOM 655 CG GLU A 45 13.170 8.282 -10.182 1.00 0.00 C ATOM 656 CD GLU A 45 13.489 9.692 -10.682 1.00 0.00 C ATOM 657 OE1 GLU A 45 14.269 9.807 -11.613 1.00 0.00 O ATOM 658 OE2 GLU A 45 12.948 10.633 -10.124 1.00 0.00 O ATOM 0 H GLU A 45 12.380 5.548 -12.875 1.00 0.00 H new ATOM 0 HA GLU A 45 11.304 6.312 -10.415 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.685 6.529 -11.339 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.150 7.888 -12.308 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.272 8.298 -9.564 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.982 7.915 -9.554 1.00 0.00 H new ATOM 665 N ALA A 46 10.690 8.724 -12.571 1.00 0.00 N ATOM 666 CA ALA A 46 9.731 9.842 -12.805 1.00 0.00 C ATOM 667 C ALA A 46 8.296 9.359 -12.585 1.00 0.00 C ATOM 668 O ALA A 46 7.513 9.994 -11.906 1.00 0.00 O ATOM 669 CB ALA A 46 9.944 10.248 -14.263 1.00 0.00 C ATOM 0 H ALA A 46 11.444 8.648 -13.253 1.00 0.00 H new ATOM 0 HA ALA A 46 9.893 10.677 -12.123 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.272 11.069 -14.514 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.976 10.568 -14.405 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.736 9.397 -14.912 1.00 0.00 H new ATOM 675 N GLU A 47 7.945 8.237 -13.153 1.00 0.00 N ATOM 676 CA GLU A 47 6.561 7.712 -12.974 1.00 0.00 C ATOM 677 C GLU A 47 6.273 7.489 -11.487 1.00 0.00 C ATOM 678 O GLU A 47 5.176 7.710 -11.016 1.00 0.00 O ATOM 679 CB GLU A 47 6.540 6.383 -13.730 1.00 0.00 C ATOM 680 CG GLU A 47 5.323 6.343 -14.657 1.00 0.00 C ATOM 681 CD GLU A 47 5.727 5.738 -16.003 1.00 0.00 C ATOM 682 OE1 GLU A 47 6.880 5.362 -16.139 1.00 0.00 O ATOM 683 OE2 GLU A 47 4.877 5.661 -16.875 1.00 0.00 O ATOM 0 H GLU A 47 8.556 7.662 -13.733 1.00 0.00 H new ATOM 0 HA GLU A 47 5.804 8.403 -13.346 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.456 6.267 -14.309 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.502 5.552 -13.026 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.527 5.751 -14.205 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.929 7.349 -14.802 1.00 0.00 H new ATOM 690 N VAL A 48 7.254 7.053 -10.743 1.00 0.00 N ATOM 691 CA VAL A 48 7.038 6.817 -9.287 1.00 0.00 C ATOM 692 C VAL A 48 6.845 8.152 -8.561 1.00 0.00 C ATOM 693 O VAL A 48 5.940 8.313 -7.767 1.00 0.00 O ATOM 694 CB VAL A 48 8.312 6.125 -8.803 1.00 0.00 C ATOM 695 CG1 VAL A 48 8.066 5.507 -7.426 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.702 5.025 -9.793 1.00 0.00 C ATOM 0 H VAL A 48 8.195 6.850 -11.081 1.00 0.00 H new ATOM 0 HA VAL A 48 6.150 6.216 -9.093 1.00 0.00 H new ATOM 0 HB VAL A 48 9.118 6.855 -8.734 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.975 5.014 -7.081 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.788 6.290 -6.720 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.260 4.777 -7.494 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.611 4.531 -9.449 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.896 4.295 -9.862 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.878 5.465 -10.775 1.00 0.00 H new ATOM 706 N ASN A 49 7.691 9.110 -8.828 1.00 0.00 N ATOM 707 CA ASN A 49 7.557 10.433 -8.154 1.00 0.00 C ATOM 708 C ASN A 49 6.117 10.938 -8.264 1.00 0.00 C ATOM 709 O ASN A 49 5.505 11.316 -7.284 1.00 0.00 O ATOM 710 CB ASN A 49 8.510 11.359 -8.910 1.00 0.00 C ATOM 711 CG ASN A 49 8.974 12.484 -7.981 1.00 0.00 C ATOM 712 OD1 ASN A 49 9.145 12.277 -6.796 1.00 0.00 O ATOM 713 ND2 ASN A 49 9.185 13.674 -8.473 1.00 0.00 N ATOM 0 H ASN A 49 8.469 9.034 -9.483 1.00 0.00 H new ATOM 0 HA ASN A 49 7.795 10.383 -7.091 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.369 10.796 -9.273 1.00 0.00 H new ATOM 0 HB3 ASN A 49 8.010 11.777 -9.784 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.494 14.431 -7.863 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.041 13.847 -9.468 1.00 0.00 H new ATOM 720 N ASP A 50 5.569 10.947 -9.448 1.00 0.00 N ATOM 721 CA ASP A 50 4.168 11.427 -9.619 1.00 0.00 C ATOM 722 C ASP A 50 3.187 10.426 -9.002 1.00 0.00 C ATOM 723 O ASP A 50 2.256 10.798 -8.315 1.00 0.00 O ATOM 724 CB ASP A 50 3.961 11.518 -11.131 1.00 0.00 C ATOM 725 CG ASP A 50 4.766 12.694 -11.688 1.00 0.00 C ATOM 726 OD1 ASP A 50 5.869 12.910 -11.211 1.00 0.00 O ATOM 727 OD2 ASP A 50 4.267 13.358 -12.580 1.00 0.00 O ATOM 0 H ASP A 50 6.031 10.643 -10.305 1.00 0.00 H new ATOM 0 HA ASP A 50 3.997 12.384 -9.126 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.276 10.590 -11.608 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.903 11.649 -11.356 1.00 0.00 H new ATOM 732 N LEU A 51 3.389 9.159 -9.241 1.00 0.00 N ATOM 733 CA LEU A 51 2.467 8.136 -8.667 1.00 0.00 C ATOM 734 C LEU A 51 2.427 8.257 -7.141 1.00 0.00 C ATOM 735 O LEU A 51 1.406 8.044 -6.520 1.00 0.00 O ATOM 736 CB LEU A 51 3.063 6.790 -9.083 1.00 0.00 C ATOM 737 CG LEU A 51 2.386 5.668 -8.295 1.00 0.00 C ATOM 738 CD1 LEU A 51 0.939 5.513 -8.766 1.00 0.00 C ATOM 739 CD2 LEU A 51 3.140 4.357 -8.528 1.00 0.00 C ATOM 0 H LEU A 51 4.151 8.788 -9.808 1.00 0.00 H new ATOM 0 HA LEU A 51 1.443 8.256 -9.021 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.923 6.633 -10.153 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.137 6.783 -8.897 1.00 0.00 H new ATOM 0 HG LEU A 51 2.397 5.912 -7.233 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.457 4.713 -8.204 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.401 6.447 -8.602 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.926 5.269 -9.828 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.659 3.556 -7.967 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.128 4.114 -9.591 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.171 4.466 -8.193 1.00 0.00 H new ATOM 751 N MET A 52 3.531 8.598 -6.535 1.00 0.00 N ATOM 752 CA MET A 52 3.554 8.731 -5.050 1.00 0.00 C ATOM 753 C MET A 52 3.073 10.126 -4.638 1.00 0.00 C ATOM 754 O MET A 52 2.292 10.276 -3.719 1.00 0.00 O ATOM 755 CB MET A 52 5.019 8.533 -4.658 1.00 0.00 C ATOM 756 CG MET A 52 5.534 7.222 -5.255 1.00 0.00 C ATOM 757 SD MET A 52 5.489 5.926 -3.991 1.00 0.00 S ATOM 758 CE MET A 52 4.011 5.072 -4.596 1.00 0.00 C ATOM 0 H MET A 52 4.417 8.790 -7.003 1.00 0.00 H new ATOM 0 HA MET A 52 2.899 8.010 -4.560 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.619 9.369 -5.017 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.117 8.514 -3.573 1.00 0.00 H new ATOM 0 HG2 MET A 52 4.922 6.933 -6.109 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.552 7.352 -5.622 1.00 0.00 H new ATOM 0 HE1 MET A 52 3.981 4.062 -4.186 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.121 5.618 -4.282 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.040 5.021 -5.684 1.00 0.00 H new ATOM 768 N ASN A 53 3.533 11.146 -5.308 1.00 0.00 N ATOM 769 CA ASN A 53 3.101 12.528 -4.953 1.00 0.00 C ATOM 770 C ASN A 53 1.573 12.629 -4.982 1.00 0.00 C ATOM 771 O ASN A 53 0.987 13.493 -4.361 1.00 0.00 O ATOM 772 CB ASN A 53 3.717 13.424 -6.028 1.00 0.00 C ATOM 773 CG ASN A 53 5.004 14.054 -5.490 1.00 0.00 C ATOM 774 OD1 ASN A 53 6.087 13.715 -5.923 1.00 0.00 O ATOM 775 ND2 ASN A 53 4.930 14.964 -4.558 1.00 0.00 N ATOM 0 H ASN A 53 4.189 11.083 -6.086 1.00 0.00 H new ATOM 0 HA ASN A 53 3.419 12.815 -3.951 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.931 12.841 -6.924 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.011 14.203 -6.316 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.782 15.391 -4.193 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.021 15.249 -4.194 1.00 0.00 H new ATOM 782 N GLU A 54 0.924 11.751 -5.697 1.00 0.00 N ATOM 783 CA GLU A 54 -0.565 11.798 -5.764 1.00 0.00 C ATOM 784 C GLU A 54 -1.172 10.949 -4.644 1.00 0.00 C ATOM 785 O GLU A 54 -2.375 10.814 -4.537 1.00 0.00 O ATOM 786 CB GLU A 54 -0.919 11.216 -7.132 1.00 0.00 C ATOM 787 CG GLU A 54 -0.419 9.772 -7.218 1.00 0.00 C ATOM 788 CD GLU A 54 -1.178 9.033 -8.322 1.00 0.00 C ATOM 789 OE1 GLU A 54 -2.301 8.627 -8.071 1.00 0.00 O ATOM 790 OE2 GLU A 54 -0.624 8.886 -9.399 1.00 0.00 O ATOM 0 H GLU A 54 1.360 11.004 -6.237 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.952 12.809 -5.640 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.998 11.248 -7.284 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.467 11.816 -7.922 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.651 9.758 -7.426 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.564 9.268 -6.262 1.00 0.00 H new ATOM 797 N ILE A 55 -0.350 10.376 -3.808 1.00 0.00 N ATOM 798 CA ILE A 55 -0.883 9.535 -2.697 1.00 0.00 C ATOM 799 C ILE A 55 -0.058 9.755 -1.426 1.00 0.00 C ATOM 800 O ILE A 55 -0.584 9.791 -0.332 1.00 0.00 O ATOM 801 CB ILE A 55 -0.740 8.094 -3.186 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.385 7.146 -2.172 1.00 0.00 C ATOM 803 CG2 ILE A 55 0.742 7.749 -3.333 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.057 5.699 -2.544 1.00 0.00 C ATOM 0 H ILE A 55 0.666 10.453 -3.845 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.916 9.781 -2.452 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.235 7.987 -4.151 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.020 7.366 -1.169 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.465 7.293 -2.157 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.843 6.721 -3.682 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.203 8.424 -4.054 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.238 7.855 -2.368 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.517 5.024 -1.822 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.444 5.483 -3.540 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.024 5.557 -2.536 1.00 0.00 H new ATOM 816 N ASP A 56 1.232 9.903 -1.562 1.00 0.00 N ATOM 817 CA ASP A 56 2.089 10.119 -0.361 1.00 0.00 C ATOM 818 C ASP A 56 1.549 11.287 0.470 1.00 0.00 C ATOM 819 O ASP A 56 1.259 12.347 -0.049 1.00 0.00 O ATOM 820 CB ASP A 56 3.473 10.452 -0.918 1.00 0.00 C ATOM 821 CG ASP A 56 4.498 10.437 0.218 1.00 0.00 C ATOM 822 OD1 ASP A 56 4.149 9.992 1.299 1.00 0.00 O ATOM 823 OD2 ASP A 56 5.615 10.873 -0.012 1.00 0.00 O ATOM 0 H ASP A 56 1.729 9.884 -2.452 1.00 0.00 H new ATOM 0 HA ASP A 56 2.112 9.248 0.293 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.752 9.728 -1.684 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.458 11.432 -1.396 1.00 0.00 H new ATOM 828 N VAL A 57 1.414 11.101 1.753 1.00 0.00 N ATOM 829 CA VAL A 57 0.893 12.201 2.615 1.00 0.00 C ATOM 830 C VAL A 57 1.970 12.653 3.605 1.00 0.00 C ATOM 831 O VAL A 57 2.435 13.774 3.562 1.00 0.00 O ATOM 832 CB VAL A 57 -0.296 11.593 3.358 1.00 0.00 C ATOM 833 CG1 VAL A 57 -0.837 12.604 4.370 1.00 0.00 C ATOM 834 CG2 VAL A 57 -1.397 11.239 2.355 1.00 0.00 C ATOM 0 H VAL A 57 1.641 10.236 2.243 1.00 0.00 H new ATOM 0 HA VAL A 57 0.606 13.078 2.036 1.00 0.00 H new ATOM 0 HB VAL A 57 0.025 10.692 3.880 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.685 12.170 4.900 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.054 12.858 5.085 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.158 13.505 3.848 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.245 10.805 2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.717 12.141 1.833 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.013 10.519 1.633 1.00 0.00 H new ATOM 844 N ASP A 58 2.371 11.789 4.497 1.00 0.00 N ATOM 845 CA ASP A 58 3.418 12.169 5.488 1.00 0.00 C ATOM 846 C ASP A 58 4.665 11.302 5.301 1.00 0.00 C ATOM 847 O ASP A 58 5.102 10.621 6.208 1.00 0.00 O ATOM 848 CB ASP A 58 2.783 11.908 6.854 1.00 0.00 C ATOM 849 CG ASP A 58 2.148 10.516 6.865 1.00 0.00 C ATOM 850 OD1 ASP A 58 1.096 10.361 6.267 1.00 0.00 O ATOM 851 OD2 ASP A 58 2.725 9.629 7.472 1.00 0.00 O ATOM 0 H ASP A 58 2.019 10.836 4.583 1.00 0.00 H new ATOM 0 HA ASP A 58 3.734 13.206 5.377 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.537 11.981 7.637 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.028 12.665 7.067 1.00 0.00 H new ATOM 856 N GLY A 59 5.242 11.320 4.130 1.00 0.00 N ATOM 857 CA GLY A 59 6.460 10.496 3.887 1.00 0.00 C ATOM 858 C GLY A 59 6.063 9.026 3.736 1.00 0.00 C ATOM 859 O GLY A 59 5.870 8.535 2.642 1.00 0.00 O ATOM 0 H GLY A 59 4.923 11.869 3.332 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.970 10.840 2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.160 10.611 4.714 1.00 0.00 H new ATOM 863 N ASN A 60 5.940 8.321 4.826 1.00 0.00 N ATOM 864 CA ASN A 60 5.555 6.882 4.744 1.00 0.00 C ATOM 865 C ASN A 60 4.097 6.698 5.175 1.00 0.00 C ATOM 866 O ASN A 60 3.814 6.335 6.301 1.00 0.00 O ATOM 867 CB ASN A 60 6.496 6.163 5.711 1.00 0.00 C ATOM 868 CG ASN A 60 7.697 5.612 4.940 1.00 0.00 C ATOM 869 OD1 ASN A 60 8.123 6.190 3.961 1.00 0.00 O ATOM 870 ND2 ASN A 60 8.265 4.509 5.345 1.00 0.00 N ATOM 0 H ASN A 60 6.089 8.678 5.770 1.00 0.00 H new ATOM 0 HA ASN A 60 5.637 6.490 3.730 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.833 6.851 6.486 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.969 5.351 6.212 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.067 4.133 4.839 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.907 4.023 6.167 1.00 0.00 H new ATOM 877 N HIS A 61 3.170 6.945 4.291 1.00 0.00 N ATOM 878 CA HIS A 61 1.733 6.784 4.651 1.00 0.00 C ATOM 879 C HIS A 61 1.317 5.317 4.526 1.00 0.00 C ATOM 880 O HIS A 61 1.991 4.521 3.901 1.00 0.00 O ATOM 881 CB HIS A 61 0.973 7.645 3.642 1.00 0.00 C ATOM 882 CG HIS A 61 1.060 7.013 2.279 1.00 0.00 C ATOM 883 ND1 HIS A 61 1.981 6.021 1.982 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.349 7.223 1.123 1.00 0.00 C ATOM 885 CE1 HIS A 61 1.801 5.674 0.694 1.00 0.00 C ATOM 886 NE2 HIS A 61 0.819 6.376 0.124 1.00 0.00 N ATOM 0 H HIS A 61 3.346 7.252 3.334 1.00 0.00 H new ATOM 0 HA HIS A 61 1.529 7.085 5.679 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.070 7.743 3.944 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.393 8.650 3.616 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.670 5.626 2.622 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.453 7.937 1.007 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.381 4.919 0.184 1.00 0.00 H new ATOM 894 N GLN A 62 0.211 4.950 5.115 1.00 0.00 N ATOM 895 CA GLN A 62 -0.246 3.533 5.027 1.00 0.00 C ATOM 896 C GLN A 62 -1.218 3.363 3.856 1.00 0.00 C ATOM 897 O GLN A 62 -2.378 3.715 3.943 1.00 0.00 O ATOM 898 CB GLN A 62 -0.954 3.263 6.356 1.00 0.00 C ATOM 899 CG GLN A 62 -2.172 4.182 6.481 1.00 0.00 C ATOM 900 CD GLN A 62 -3.449 3.369 6.264 1.00 0.00 C ATOM 901 OE1 GLN A 62 -4.321 3.773 5.521 1.00 0.00 O ATOM 902 NE2 GLN A 62 -3.597 2.232 6.887 1.00 0.00 N ATOM 0 H GLN A 62 -0.395 5.569 5.653 1.00 0.00 H new ATOM 0 HA GLN A 62 0.579 2.842 4.857 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.265 2.220 6.409 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.269 3.434 7.187 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.189 4.649 7.466 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -2.111 4.986 5.748 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.865 1.893 7.511 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.445 1.682 6.750 1.00 0.00 H new ATOM 911 N ILE A 63 -0.754 2.827 2.761 1.00 0.00 N ATOM 912 CA ILE A 63 -1.653 2.636 1.586 1.00 0.00 C ATOM 913 C ILE A 63 -2.677 1.536 1.874 1.00 0.00 C ATOM 914 O ILE A 63 -2.482 0.704 2.738 1.00 0.00 O ATOM 915 CB ILE A 63 -0.727 2.217 0.444 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.302 3.320 0.192 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.551 1.991 -0.825 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.214 2.911 -0.966 1.00 0.00 C ATOM 0 H ILE A 63 0.207 2.513 2.628 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.216 3.539 1.347 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.214 1.294 0.713 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.203 4.257 -0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.893 3.493 1.091 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.891 1.692 -1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.286 1.206 -0.647 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.065 2.914 -1.094 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.948 3.697 -1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.729 1.984 -0.713 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.616 2.760 -1.865 1.00 0.00 H new ATOM 930 N GLU A 64 -3.764 1.522 1.154 1.00 0.00 N ATOM 931 CA GLU A 64 -4.799 0.474 1.383 1.00 0.00 C ATOM 932 C GLU A 64 -5.081 -0.277 0.080 1.00 0.00 C ATOM 933 O GLU A 64 -5.273 0.319 -0.961 1.00 0.00 O ATOM 934 CB GLU A 64 -6.042 1.237 1.844 1.00 0.00 C ATOM 935 CG GLU A 64 -6.456 0.748 3.232 1.00 0.00 C ATOM 936 CD GLU A 64 -7.127 -0.621 3.112 1.00 0.00 C ATOM 937 OE1 GLU A 64 -7.849 -0.823 2.149 1.00 0.00 O ATOM 938 OE2 GLU A 64 -6.909 -1.445 3.985 1.00 0.00 O ATOM 0 H GLU A 64 -3.981 2.192 0.416 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.483 -0.268 2.117 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.836 2.307 1.870 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.857 1.087 1.136 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.583 0.681 3.881 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.141 1.461 3.691 1.00 0.00 H new ATOM 945 N PHE A 65 -5.107 -1.581 0.128 1.00 0.00 N ATOM 946 CA PHE A 65 -5.374 -2.366 -1.111 1.00 0.00 C ATOM 947 C PHE A 65 -6.512 -1.724 -1.910 1.00 0.00 C ATOM 948 O PHE A 65 -6.442 -1.599 -3.117 1.00 0.00 O ATOM 949 CB PHE A 65 -5.781 -3.756 -0.622 1.00 0.00 C ATOM 950 CG PHE A 65 -5.974 -4.670 -1.808 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.965 -4.788 -2.771 1.00 0.00 C ATOM 952 CD2 PHE A 65 -7.162 -5.397 -1.946 1.00 0.00 C ATOM 953 CE1 PHE A 65 -5.144 -5.634 -3.873 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.341 -6.243 -3.047 1.00 0.00 C ATOM 955 CZ PHE A 65 -6.332 -6.361 -4.010 1.00 0.00 C ATOM 0 H PHE A 65 -4.955 -2.136 0.970 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.506 -2.404 -1.769 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.015 -4.159 0.040 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.703 -3.694 -0.043 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.048 -4.227 -2.664 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.941 -5.305 -1.203 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.366 -5.725 -4.616 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.257 -6.804 -3.153 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.470 -7.014 -4.859 1.00 0.00 H new ATOM 965 N SER A 66 -7.558 -1.315 -1.246 1.00 0.00 N ATOM 966 CA SER A 66 -8.697 -0.680 -1.968 1.00 0.00 C ATOM 967 C SER A 66 -8.214 0.550 -2.741 1.00 0.00 C ATOM 968 O SER A 66 -8.014 0.504 -3.939 1.00 0.00 O ATOM 969 CB SER A 66 -9.682 -0.273 -0.874 1.00 0.00 C ATOM 970 OG SER A 66 -8.960 0.096 0.294 1.00 0.00 O ATOM 0 H SER A 66 -7.673 -1.393 -0.236 1.00 0.00 H new ATOM 0 HA SER A 66 -9.151 -1.353 -2.695 1.00 0.00 H new ATOM 0 HB2 SER A 66 -10.297 0.560 -1.214 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.358 -1.098 -0.652 1.00 0.00 H new ATOM 0 HG SER A 66 -8.907 -0.671 0.902 1.00 0.00 H new ATOM 976 N GLU A 67 -8.023 1.650 -2.064 1.00 0.00 N ATOM 977 CA GLU A 67 -7.552 2.882 -2.761 1.00 0.00 C ATOM 978 C GLU A 67 -6.422 2.539 -3.735 1.00 0.00 C ATOM 979 O GLU A 67 -6.363 3.048 -4.837 1.00 0.00 O ATOM 980 CB GLU A 67 -7.042 3.794 -1.645 1.00 0.00 C ATOM 981 CG GLU A 67 -6.183 4.909 -2.247 1.00 0.00 C ATOM 982 CD GLU A 67 -4.711 4.654 -1.918 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.453 3.896 -0.997 1.00 0.00 O ATOM 984 OE2 GLU A 67 -3.867 5.222 -2.590 1.00 0.00 O ATOM 0 H GLU A 67 -8.172 1.749 -1.060 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.341 3.355 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.882 4.223 -1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.457 3.217 -0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.324 4.948 -3.327 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.493 5.876 -1.850 1.00 0.00 H new ATOM 991 N PHE A 68 -5.524 1.678 -3.338 1.00 0.00 N ATOM 992 CA PHE A 68 -4.398 1.303 -4.241 1.00 0.00 C ATOM 993 C PHE A 68 -4.929 0.966 -5.637 1.00 0.00 C ATOM 994 O PHE A 68 -4.603 1.617 -6.610 1.00 0.00 O ATOM 995 CB PHE A 68 -3.768 0.070 -3.594 1.00 0.00 C ATOM 996 CG PHE A 68 -2.851 -0.607 -4.585 1.00 0.00 C ATOM 997 CD1 PHE A 68 -2.211 0.146 -5.577 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.643 -1.990 -4.512 1.00 0.00 C ATOM 999 CE1 PHE A 68 -1.363 -0.483 -6.495 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.794 -2.619 -5.430 1.00 0.00 C ATOM 1001 CZ PHE A 68 -1.153 -1.866 -6.422 1.00 0.00 C ATOM 0 H PHE A 68 -5.521 1.218 -2.428 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.678 2.112 -4.363 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.209 0.359 -2.704 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.546 -0.622 -3.271 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.372 1.212 -5.634 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.138 -2.571 -3.748 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.870 0.098 -7.260 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.633 -3.685 -5.373 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.497 -2.351 -7.130 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.743 -0.049 -5.744 1.00 0.00 N ATOM 1012 CA LEU A 69 -6.292 -0.427 -7.078 1.00 0.00 C ATOM 1013 C LEU A 69 -7.367 0.571 -7.512 1.00 0.00 C ATOM 1014 O LEU A 69 -7.387 1.026 -8.639 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.898 -1.816 -6.875 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.854 -2.885 -7.207 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.531 -2.541 -6.521 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -6.343 -4.247 -6.711 1.00 0.00 C ATOM 0 H LEU A 69 -6.051 -0.632 -4.966 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.528 -0.424 -7.855 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.235 -1.930 -5.845 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.774 -1.938 -7.512 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.705 -2.921 -8.286 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.789 -3.303 -6.759 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.180 -1.571 -6.873 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.680 -2.503 -5.442 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.600 -5.009 -6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.493 -4.209 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.285 -4.495 -7.200 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.262 0.917 -6.627 1.00 0.00 N ATOM 1031 CA ALA A 70 -9.335 1.886 -6.990 1.00 0.00 C ATOM 1032 C ALA A 70 -8.733 3.096 -7.712 1.00 0.00 C ATOM 1033 O ALA A 70 -9.392 3.756 -8.491 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.953 2.309 -5.658 1.00 0.00 C ATOM 0 H ALA A 70 -8.296 0.570 -5.668 1.00 0.00 H new ATOM 0 HA ALA A 70 -10.075 1.451 -7.662 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.754 3.025 -5.840 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.357 1.433 -5.150 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -9.189 2.771 -5.033 1.00 0.00 H new ATOM 1040 N LEU A 71 -7.488 3.392 -7.458 1.00 0.00 N ATOM 1041 CA LEU A 71 -6.847 4.559 -8.128 1.00 0.00 C ATOM 1042 C LEU A 71 -5.913 4.081 -9.244 1.00 0.00 C ATOM 1043 O LEU A 71 -5.803 4.701 -10.283 1.00 0.00 O ATOM 1044 CB LEU A 71 -6.052 5.261 -7.027 1.00 0.00 C ATOM 1045 CG LEU A 71 -6.961 6.244 -6.288 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.118 5.482 -5.640 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -6.156 6.965 -5.205 1.00 0.00 C ATOM 0 H LEU A 71 -6.887 2.876 -6.815 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.578 5.223 -8.589 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.650 4.526 -6.329 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.202 5.789 -7.458 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.358 6.974 -6.994 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.766 6.183 -5.113 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.691 4.967 -6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.723 4.752 -4.933 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.802 7.666 -4.677 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.760 6.235 -4.499 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.331 7.508 -5.666 1.00 0.00 H new ATOM 1059 N MET A 72 -5.240 2.982 -9.036 1.00 0.00 N ATOM 1060 CA MET A 72 -4.312 2.465 -10.084 1.00 0.00 C ATOM 1061 C MET A 72 -5.047 2.330 -11.421 1.00 0.00 C ATOM 1062 O MET A 72 -4.447 2.363 -12.476 1.00 0.00 O ATOM 1063 CB MET A 72 -3.867 1.094 -9.577 1.00 0.00 C ATOM 1064 CG MET A 72 -2.412 1.170 -9.110 1.00 0.00 C ATOM 1065 SD MET A 72 -2.224 2.537 -7.940 1.00 0.00 S ATOM 1066 CE MET A 72 -0.439 2.759 -8.136 1.00 0.00 C ATOM 0 H MET A 72 -5.292 2.420 -8.187 1.00 0.00 H new ATOM 0 HA MET A 72 -3.466 3.132 -10.252 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.507 0.773 -8.755 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.968 0.352 -10.369 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.121 0.231 -8.639 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.752 1.316 -9.965 1.00 0.00 H new ATOM 0 HE1 MET A 72 -0.092 3.534 -7.453 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.071 1.822 -7.912 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.220 3.055 -9.162 1.00 0.00 H new ATOM 1076 N SER A 73 -6.343 2.178 -11.384 1.00 0.00 N ATOM 1077 CA SER A 73 -7.114 2.040 -12.653 1.00 0.00 C ATOM 1078 C SER A 73 -6.894 3.267 -13.542 1.00 0.00 C ATOM 1079 O SER A 73 -7.175 3.247 -14.724 1.00 0.00 O ATOM 1080 CB SER A 73 -8.576 1.948 -12.219 1.00 0.00 C ATOM 1081 OG SER A 73 -8.883 0.601 -11.885 1.00 0.00 O ATOM 0 H SER A 73 -6.901 2.143 -10.531 1.00 0.00 H new ATOM 0 HA SER A 73 -6.805 1.170 -13.232 1.00 0.00 H new ATOM 0 HB2 SER A 73 -8.754 2.597 -11.362 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.228 2.293 -13.021 1.00 0.00 H new ATOM 0 HG SER A 73 -9.820 0.539 -11.604 1.00 0.00 H new