USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 768 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 20 GLN : amide:sc= 0.279 K(o=0.74,f=-0.62) USER MOD Set 1.2: A 90 TYR OH : rot 113:sc= 0.457 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 30:sc= 0.141 USER MOD Single : A 6 MET CE :methyl -161:sc= -0.0215 (180deg=-0.216) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -179:sc= -0.433 (180deg=-0.433) USER MOD Single : A 12 CYS SG : rot 141:sc= -6.01! USER MOD Single : A 13 SER OG : rot -67:sc= -0.08 USER MOD Single : A 14 HIS : no HE2:sc= -5.2! C(o=-5.2!,f=-8.2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 177:sc= 0.0356 (180deg=0.0346) USER MOD Single : A 35 LYS NZ :NH3+ 155:sc= -0.0383 (180deg=-0.336) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -153:sc= -0.982 (180deg=-2.04!) USER MOD Single : A 44 SER OG : rot -120:sc= -3.27! USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 32:sc= 1.1 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= 0.253 (180deg=0.154) USER MOD Single : A 64 MET CE :methyl -111:sc= -1.13 (180deg=-3.08!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -0.229 K(o=-0.23,f=-2.3!) USER MOD Single : A 81 SER OG : rot -150:sc= -0.753 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot -110:sc= -1.71 USER MOD Single : A 91 HIS : no HE2:sc= -11.1! C(o=-11!,f=-17!) USER MOD Single : A 94 LYS NZ :NH3+ 139:sc= 0.458 (180deg=0.00318) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.643 15.658 -8.310 1.00 0.00 N ATOM 2 CA GLY A 1 25.342 14.491 -7.436 1.00 0.00 C ATOM 3 C GLY A 1 24.227 14.778 -6.447 1.00 0.00 C ATOM 4 O GLY A 1 24.490 15.088 -5.287 1.00 0.00 O ATOM 0 H1 GLY A 1 26.411 15.411 -8.967 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.793 15.914 -8.852 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.936 16.465 -7.723 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.063 13.639 -8.056 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.242 14.207 -6.891 1.00 0.00 H new ATOM 10 N PRO A 2 22.959 14.680 -6.882 1.00 0.00 N ATOM 11 CA PRO A 2 21.805 14.935 -6.015 1.00 0.00 C ATOM 12 C PRO A 2 21.631 13.855 -4.952 1.00 0.00 C ATOM 13 O PRO A 2 21.491 12.675 -5.270 1.00 0.00 O ATOM 14 CB PRO A 2 20.621 14.926 -6.983 1.00 0.00 C ATOM 15 CG PRO A 2 21.072 14.083 -8.125 1.00 0.00 C ATOM 16 CD PRO A 2 22.552 14.316 -8.253 1.00 0.00 C ATOM 0 HA PRO A 2 21.911 15.868 -5.461 1.00 0.00 H new ATOM 0 HB2 PRO A 2 19.729 14.512 -6.513 1.00 0.00 H new ATOM 0 HB3 PRO A 2 20.370 15.935 -7.311 1.00 0.00 H new ATOM 0 HG2 PRO A 2 20.857 13.030 -7.942 1.00 0.00 H new ATOM 0 HG3 PRO A 2 20.553 14.359 -9.043 1.00 0.00 H new ATOM 0 HD2 PRO A 2 23.071 13.424 -8.603 1.00 0.00 H new ATOM 0 HD3 PRO A 2 22.774 15.113 -8.963 1.00 0.00 H new ATOM 24 N MET A 3 21.643 14.268 -3.689 1.00 0.00 N ATOM 25 CA MET A 3 21.487 13.335 -2.579 1.00 0.00 C ATOM 26 C MET A 3 20.450 13.843 -1.583 1.00 0.00 C ATOM 27 O MET A 3 20.307 15.049 -1.381 1.00 0.00 O ATOM 28 CB MET A 3 22.830 13.120 -1.874 1.00 0.00 C ATOM 29 CG MET A 3 23.189 11.655 -1.684 1.00 0.00 C ATOM 30 SD MET A 3 24.967 11.387 -1.556 1.00 0.00 S ATOM 31 CE MET A 3 25.029 10.126 -0.286 1.00 0.00 C ATOM 0 H MET A 3 21.759 15.242 -3.409 1.00 0.00 H new ATOM 0 HA MET A 3 21.140 12.383 -2.982 1.00 0.00 H new ATOM 0 HB2 MET A 3 23.616 13.606 -2.452 1.00 0.00 H new ATOM 0 HB3 MET A 3 22.802 13.608 -0.900 1.00 0.00 H new ATOM 0 HG2 MET A 3 22.703 11.280 -0.783 1.00 0.00 H new ATOM 0 HG3 MET A 3 22.798 11.077 -2.522 1.00 0.00 H new ATOM 0 HE1 MET A 3 26.067 9.854 -0.094 1.00 0.00 H new ATOM 0 HE2 MET A 3 24.579 10.510 0.630 1.00 0.00 H new ATOM 0 HE3 MET A 3 24.479 9.246 -0.620 1.00 0.00 H new ATOM 41 N GLY A 4 19.727 12.916 -0.964 1.00 0.00 N ATOM 42 CA GLY A 4 18.712 13.289 0.003 1.00 0.00 C ATOM 43 C GLY A 4 17.435 12.488 -0.157 1.00 0.00 C ATOM 44 O GLY A 4 16.363 13.053 -0.377 1.00 0.00 O ATOM 0 H GLY A 4 19.826 11.912 -1.115 1.00 0.00 H new ATOM 0 HA2 GLY A 4 19.104 13.145 1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 4 18.487 14.350 -0.102 1.00 0.00 H new ATOM 48 N SER A 5 17.549 11.169 -0.049 1.00 0.00 N ATOM 49 CA SER A 5 16.395 10.288 -0.184 1.00 0.00 C ATOM 50 C SER A 5 15.624 10.194 1.128 1.00 0.00 C ATOM 51 O SER A 5 16.195 9.883 2.174 1.00 0.00 O ATOM 52 CB SER A 5 16.840 8.894 -0.629 1.00 0.00 C ATOM 53 OG SER A 5 17.704 8.305 0.328 1.00 0.00 O ATOM 0 H SER A 5 18.429 10.686 0.132 1.00 0.00 H new ATOM 0 HA SER A 5 15.735 10.710 -0.942 1.00 0.00 H new ATOM 0 HB2 SER A 5 15.966 8.259 -0.774 1.00 0.00 H new ATOM 0 HB3 SER A 5 17.349 8.961 -1.591 1.00 0.00 H new ATOM 0 HG SER A 5 17.479 8.639 1.221 1.00 0.00 H new ATOM 59 N MET A 6 14.324 10.462 1.065 1.00 0.00 N ATOM 60 CA MET A 6 13.472 10.406 2.248 1.00 0.00 C ATOM 61 C MET A 6 12.435 9.294 2.115 1.00 0.00 C ATOM 62 O MET A 6 12.261 8.721 1.040 1.00 0.00 O ATOM 63 CB MET A 6 12.776 11.753 2.466 1.00 0.00 C ATOM 64 CG MET A 6 13.300 12.518 3.669 1.00 0.00 C ATOM 65 SD MET A 6 13.367 14.298 3.382 1.00 0.00 S ATOM 66 CE MET A 6 14.735 14.405 2.232 1.00 0.00 C ATOM 0 H MET A 6 13.837 10.720 0.207 1.00 0.00 H new ATOM 0 HA MET A 6 14.101 10.190 3.112 1.00 0.00 H new ATOM 0 HB2 MET A 6 12.900 12.366 1.573 1.00 0.00 H new ATOM 0 HB3 MET A 6 11.706 11.584 2.590 1.00 0.00 H new ATOM 0 HG2 MET A 6 12.662 12.316 4.530 1.00 0.00 H new ATOM 0 HG3 MET A 6 14.297 12.156 3.919 1.00 0.00 H new ATOM 0 HE1 MET A 6 15.119 15.425 2.217 1.00 0.00 H new ATOM 0 HE2 MET A 6 15.527 13.723 2.544 1.00 0.00 H new ATOM 0 HE3 MET A 6 14.393 14.132 1.234 1.00 0.00 H new ATOM 76 N ALA A 7 11.748 8.996 3.214 1.00 0.00 N ATOM 77 CA ALA A 7 10.730 7.955 3.216 1.00 0.00 C ATOM 78 C ALA A 7 9.329 8.552 3.277 1.00 0.00 C ATOM 79 O ALA A 7 8.403 7.934 3.802 1.00 0.00 O ATOM 80 CB ALA A 7 10.948 7.001 4.381 1.00 0.00 C ATOM 0 H ALA A 7 11.879 9.461 4.112 1.00 0.00 H new ATOM 0 HA ALA A 7 10.819 7.399 2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 7 10.179 6.229 4.368 1.00 0.00 H new ATOM 0 HB2 ALA A 7 11.930 6.536 4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 7 10.892 7.553 5.319 1.00 0.00 H new ATOM 86 N ASP A 8 9.175 9.755 2.729 1.00 0.00 N ATOM 87 CA ASP A 8 7.881 10.430 2.717 1.00 0.00 C ATOM 88 C ASP A 8 6.814 9.537 2.091 1.00 0.00 C ATOM 89 O ASP A 8 5.623 9.682 2.372 1.00 0.00 O ATOM 90 CB ASP A 8 7.977 11.750 1.950 1.00 0.00 C ATOM 91 CG ASP A 8 7.285 12.890 2.672 1.00 0.00 C ATOM 92 OD1 ASP A 8 7.747 13.264 3.770 1.00 0.00 O ATOM 93 OD2 ASP A 8 6.283 13.409 2.137 1.00 0.00 O ATOM 0 H ASP A 8 9.929 10.281 2.288 1.00 0.00 H new ATOM 0 HA ASP A 8 7.596 10.641 3.748 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.026 12.003 1.798 1.00 0.00 H new ATOM 0 HB3 ASP A 8 7.533 11.626 0.962 1.00 0.00 H new ATOM 98 N LYS A 9 7.251 8.617 1.237 1.00 0.00 N ATOM 99 CA LYS A 9 6.353 7.700 0.563 1.00 0.00 C ATOM 100 C LYS A 9 6.055 6.482 1.418 1.00 0.00 C ATOM 101 O LYS A 9 6.772 6.179 2.371 1.00 0.00 O ATOM 102 CB LYS A 9 6.975 7.235 -0.750 1.00 0.00 C ATOM 103 CG LYS A 9 6.848 8.232 -1.887 1.00 0.00 C ATOM 104 CD LYS A 9 7.276 9.626 -1.473 1.00 0.00 C ATOM 105 CE LYS A 9 8.737 9.667 -1.063 1.00 0.00 C ATOM 106 NZ LYS A 9 9.620 10.067 -2.194 1.00 0.00 N ATOM 0 H LYS A 9 8.234 8.490 0.997 1.00 0.00 H new ATOM 0 HA LYS A 9 5.421 8.233 0.375 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.031 7.024 -0.584 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.506 6.298 -1.049 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.457 7.901 -2.728 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.814 8.258 -2.232 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.110 10.318 -2.299 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.656 9.966 -0.644 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.863 10.368 -0.238 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.039 8.686 -0.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.609 10.083 -1.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.519 9.384 -2.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.349 11.014 -2.528 1.00 0.00 H new ATOM 120 N ILE A 10 5.008 5.771 1.036 1.00 0.00 N ATOM 121 CA ILE A 10 4.618 4.555 1.725 1.00 0.00 C ATOM 122 C ILE A 10 4.865 3.380 0.823 1.00 0.00 C ATOM 123 O ILE A 10 4.539 3.411 -0.360 1.00 0.00 O ATOM 124 CB ILE A 10 3.136 4.526 2.141 1.00 0.00 C ATOM 125 CG1 ILE A 10 2.605 5.939 2.336 1.00 0.00 C ATOM 126 CG2 ILE A 10 2.957 3.705 3.407 1.00 0.00 C ATOM 127 CD1 ILE A 10 1.116 5.986 2.581 1.00 0.00 C ATOM 0 H ILE A 10 4.410 6.018 0.247 1.00 0.00 H new ATOM 0 HA ILE A 10 5.216 4.513 2.635 1.00 0.00 H new ATOM 0 HB ILE A 10 2.563 4.056 1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.120 6.401 3.178 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.840 6.534 1.453 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.904 3.694 3.688 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.296 2.684 3.230 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.543 4.147 4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 10 0.801 7.021 2.712 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.593 5.553 1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.877 5.418 3.480 1.00 0.00 H new ATOM 139 N LYS A 11 5.431 2.350 1.387 1.00 0.00 N ATOM 140 CA LYS A 11 5.719 1.148 0.641 1.00 0.00 C ATOM 141 C LYS A 11 4.792 0.044 1.102 1.00 0.00 C ATOM 142 O LYS A 11 5.102 -0.683 2.037 1.00 0.00 O ATOM 143 CB LYS A 11 7.186 0.755 0.821 1.00 0.00 C ATOM 144 CG LYS A 11 8.138 1.948 0.771 1.00 0.00 C ATOM 145 CD LYS A 11 9.306 1.766 1.725 1.00 0.00 C ATOM 146 CE LYS A 11 10.467 1.054 1.052 1.00 0.00 C ATOM 147 NZ LYS A 11 11.759 1.761 1.276 1.00 0.00 N ATOM 0 H LYS A 11 5.706 2.315 2.369 1.00 0.00 H new ATOM 0 HA LYS A 11 5.552 1.322 -0.422 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.304 0.244 1.776 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.463 0.044 0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.512 2.074 -0.245 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.596 2.859 1.026 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.636 2.739 2.088 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.982 1.194 2.595 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.539 0.036 1.435 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.275 0.979 -0.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.523 1.252 0.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.694 2.730 0.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.964 1.795 2.295 1.00 0.00 H new ATOM 161 N CYS A 12 3.632 -0.049 0.455 1.00 0.00 N ATOM 162 CA CYS A 12 2.638 -1.045 0.814 1.00 0.00 C ATOM 163 C CYS A 12 2.125 -1.779 -0.422 1.00 0.00 C ATOM 164 O CYS A 12 2.571 -1.521 -1.537 1.00 0.00 O ATOM 165 CB CYS A 12 1.479 -0.406 1.590 1.00 0.00 C ATOM 166 SG CYS A 12 1.999 0.761 2.867 1.00 0.00 S ATOM 0 H CYS A 12 3.362 0.556 -0.320 1.00 0.00 H new ATOM 0 HA CYS A 12 3.118 -1.777 1.463 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.826 0.110 0.886 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.888 -1.196 2.054 1.00 0.00 H new ATOM 0 HG CYS A 12 1.186 1.776 2.885 1.00 0.00 H new ATOM 172 N SER A 13 1.203 -2.708 -0.211 1.00 0.00 N ATOM 173 CA SER A 13 0.628 -3.493 -1.298 1.00 0.00 C ATOM 174 C SER A 13 -0.895 -3.414 -1.255 1.00 0.00 C ATOM 175 O SER A 13 -1.470 -3.012 -0.242 1.00 0.00 O ATOM 176 CB SER A 13 1.083 -4.951 -1.207 1.00 0.00 C ATOM 177 OG SER A 13 0.980 -5.436 0.120 1.00 0.00 O ATOM 0 H SER A 13 0.834 -2.939 0.711 1.00 0.00 H new ATOM 0 HA SER A 13 0.977 -3.080 -2.245 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.476 -5.567 -1.871 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.114 -5.035 -1.549 1.00 0.00 H new ATOM 0 HG SER A 13 1.623 -4.966 0.691 1.00 0.00 H new ATOM 183 N HIS A 14 -1.551 -3.784 -2.353 1.00 0.00 N ATOM 184 CA HIS A 14 -3.009 -3.728 -2.407 1.00 0.00 C ATOM 185 C HIS A 14 -3.616 -4.975 -3.044 1.00 0.00 C ATOM 186 O HIS A 14 -2.963 -5.685 -3.807 1.00 0.00 O ATOM 187 CB HIS A 14 -3.465 -2.479 -3.167 1.00 0.00 C ATOM 188 CG HIS A 14 -3.152 -2.507 -4.635 1.00 0.00 C ATOM 189 ND1 HIS A 14 -2.412 -3.509 -5.233 1.00 0.00 N ATOM 190 CD2 HIS A 14 -3.486 -1.647 -5.625 1.00 0.00 C ATOM 191 CE1 HIS A 14 -2.307 -3.258 -6.527 1.00 0.00 C ATOM 192 NE2 HIS A 14 -2.948 -2.137 -6.789 1.00 0.00 N ATOM 0 H HIS A 14 -1.104 -4.121 -3.205 1.00 0.00 H new ATOM 0 HA HIS A 14 -3.365 -3.681 -1.378 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -4.541 -2.361 -3.038 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.992 -1.603 -2.722 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -2.011 -4.314 -4.753 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.068 -0.743 -5.519 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -1.784 -3.869 -7.248 1.00 0.00 H new ATOM 201 N ILE A 15 -4.883 -5.217 -2.718 1.00 0.00 N ATOM 202 CA ILE A 15 -5.619 -6.363 -3.243 1.00 0.00 C ATOM 203 C ILE A 15 -7.106 -6.021 -3.363 1.00 0.00 C ATOM 204 O ILE A 15 -7.732 -5.587 -2.395 1.00 0.00 O ATOM 205 CB ILE A 15 -5.430 -7.610 -2.345 1.00 0.00 C ATOM 206 CG1 ILE A 15 -4.034 -8.203 -2.557 1.00 0.00 C ATOM 207 CG2 ILE A 15 -6.500 -8.662 -2.623 1.00 0.00 C ATOM 208 CD1 ILE A 15 -2.973 -7.578 -1.676 1.00 0.00 C ATOM 0 H ILE A 15 -5.426 -4.628 -2.086 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.223 -6.596 -4.231 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.532 -7.297 -1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.070 -9.275 -2.364 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.749 -8.077 -3.601 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.339 -9.525 -1.976 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -7.485 -8.240 -2.426 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.441 -8.974 -3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.010 -8.046 -1.879 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.909 -6.510 -1.885 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.235 -7.727 -0.629 1.00 0.00 H new ATOM 220 N LEU A 16 -7.662 -6.202 -4.560 1.00 0.00 N ATOM 221 CA LEU A 16 -9.069 -5.892 -4.803 1.00 0.00 C ATOM 222 C LEU A 16 -9.919 -7.155 -4.915 1.00 0.00 C ATOM 223 O LEU A 16 -9.535 -8.116 -5.577 1.00 0.00 O ATOM 224 CB LEU A 16 -9.215 -5.071 -6.089 1.00 0.00 C ATOM 225 CG LEU A 16 -9.460 -3.576 -5.889 1.00 0.00 C ATOM 226 CD1 LEU A 16 -10.601 -3.341 -4.912 1.00 0.00 C ATOM 227 CD2 LEU A 16 -8.186 -2.897 -5.411 1.00 0.00 C ATOM 0 H LEU A 16 -7.162 -6.560 -5.373 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.425 -5.315 -3.949 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.311 -5.197 -6.685 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.040 -5.482 -6.671 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.747 -3.139 -6.846 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.757 -2.270 -4.786 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -11.512 -3.797 -5.300 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.353 -3.788 -3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.372 -1.832 -5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.872 -3.337 -4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.400 -3.034 -6.154 1.00 0.00 H new ATOM 239 N VAL A 17 -11.089 -7.128 -4.284 1.00 0.00 N ATOM 240 CA VAL A 17 -12.014 -8.254 -4.329 1.00 0.00 C ATOM 241 C VAL A 17 -13.454 -7.765 -4.196 1.00 0.00 C ATOM 242 O VAL A 17 -13.755 -6.918 -3.356 1.00 0.00 O ATOM 243 CB VAL A 17 -11.705 -9.287 -3.228 1.00 0.00 C ATOM 244 CG1 VAL A 17 -10.271 -9.781 -3.359 1.00 0.00 C ATOM 245 CG2 VAL A 17 -11.954 -8.701 -1.844 1.00 0.00 C ATOM 0 H VAL A 17 -11.419 -6.335 -3.734 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.888 -8.744 -5.295 1.00 0.00 H new ATOM 0 HB VAL A 17 -12.377 -10.136 -3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.064 -10.510 -2.576 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.135 -10.248 -4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.586 -8.939 -3.261 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.728 -9.451 -1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.314 -7.831 -1.697 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -12.998 -8.401 -1.758 1.00 0.00 H new ATOM 255 N LYS A 18 -14.339 -8.284 -5.045 1.00 0.00 N ATOM 256 CA LYS A 18 -15.739 -7.871 -5.032 1.00 0.00 C ATOM 257 C LYS A 18 -16.480 -8.404 -3.809 1.00 0.00 C ATOM 258 O LYS A 18 -17.336 -7.718 -3.252 1.00 0.00 O ATOM 259 CB LYS A 18 -16.439 -8.335 -6.310 1.00 0.00 C ATOM 260 CG LYS A 18 -15.908 -7.671 -7.569 1.00 0.00 C ATOM 261 CD LYS A 18 -16.348 -8.412 -8.820 1.00 0.00 C ATOM 262 CE LYS A 18 -15.287 -9.392 -9.291 1.00 0.00 C ATOM 263 NZ LYS A 18 -15.878 -10.543 -10.025 1.00 0.00 N ATOM 0 H LYS A 18 -14.112 -8.988 -5.747 1.00 0.00 H new ATOM 0 HA LYS A 18 -15.757 -6.782 -4.982 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -16.327 -9.415 -6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.506 -8.131 -6.224 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.260 -6.640 -7.613 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.819 -7.635 -7.531 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -17.276 -8.948 -8.619 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.560 -7.695 -9.613 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.578 -8.875 -9.938 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.726 -9.759 -8.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.120 -11.187 -10.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -16.536 -11.052 -9.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -16.392 -10.195 -10.860 1.00 0.00 H new ATOM 277 N LYS A 19 -16.142 -9.613 -3.376 1.00 0.00 N ATOM 278 CA LYS A 19 -16.770 -10.194 -2.209 1.00 0.00 C ATOM 279 C LYS A 19 -16.235 -9.479 -0.969 1.00 0.00 C ATOM 280 O LYS A 19 -15.325 -9.948 -0.293 1.00 0.00 O ATOM 281 CB LYS A 19 -16.514 -11.709 -2.181 1.00 0.00 C ATOM 282 CG LYS A 19 -16.402 -12.298 -0.794 1.00 0.00 C ATOM 283 CD LYS A 19 -16.455 -13.817 -0.820 1.00 0.00 C ATOM 284 CE LYS A 19 -17.235 -14.368 0.362 1.00 0.00 C ATOM 285 NZ LYS A 19 -16.969 -15.817 0.576 1.00 0.00 N ATOM 0 H LYS A 19 -15.438 -10.204 -3.818 1.00 0.00 H new ATOM 0 HA LYS A 19 -17.852 -10.062 -2.235 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -17.323 -12.212 -2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.595 -11.920 -2.727 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.467 -11.975 -0.336 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.211 -11.917 -0.171 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.917 -14.150 -1.749 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.441 -14.218 -0.807 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -16.970 -13.813 1.262 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.301 -14.215 0.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.520 -16.154 1.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.246 -16.350 -0.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.955 -15.960 0.760 1.00 0.00 H new ATOM 299 N GLN A 20 -16.782 -8.297 -0.720 1.00 0.00 N ATOM 300 CA GLN A 20 -16.344 -7.456 0.386 1.00 0.00 C ATOM 301 C GLN A 20 -16.194 -8.219 1.693 1.00 0.00 C ATOM 302 O GLN A 20 -15.409 -7.819 2.555 1.00 0.00 O ATOM 303 CB GLN A 20 -17.307 -6.285 0.575 1.00 0.00 C ATOM 304 CG GLN A 20 -18.691 -6.703 1.041 1.00 0.00 C ATOM 305 CD GLN A 20 -19.240 -5.797 2.126 1.00 0.00 C ATOM 306 OE1 GLN A 20 -18.518 -5.393 3.037 1.00 0.00 O ATOM 307 NE2 GLN A 20 -20.526 -5.473 2.033 1.00 0.00 N ATOM 0 H GLN A 20 -17.538 -7.896 -1.275 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.354 -7.084 0.120 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -16.883 -5.591 1.301 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -17.398 -5.745 -0.367 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -19.373 -6.700 0.191 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -18.651 -7.727 1.413 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -21.088 -5.831 1.260 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -20.951 -4.866 2.734 1.00 0.00 H new ATOM 316 N GLY A 21 -16.921 -9.311 1.852 1.00 0.00 N ATOM 317 CA GLY A 21 -16.796 -10.069 3.076 1.00 0.00 C ATOM 318 C GLY A 21 -15.429 -10.702 3.178 1.00 0.00 C ATOM 319 O GLY A 21 -14.894 -10.883 4.272 1.00 0.00 O ATOM 0 H GLY A 21 -17.583 -9.681 1.170 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -16.964 -9.416 3.932 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.563 -10.842 3.110 1.00 0.00 H new ATOM 323 N GLU A 22 -14.845 -11.005 2.026 1.00 0.00 N ATOM 324 CA GLU A 22 -13.518 -11.587 1.978 1.00 0.00 C ATOM 325 C GLU A 22 -12.475 -10.531 2.302 1.00 0.00 C ATOM 326 O GLU A 22 -11.489 -10.797 2.987 1.00 0.00 O ATOM 327 CB GLU A 22 -13.259 -12.206 0.606 1.00 0.00 C ATOM 328 CG GLU A 22 -12.986 -11.216 -0.508 1.00 0.00 C ATOM 329 CD GLU A 22 -11.734 -11.567 -1.287 1.00 0.00 C ATOM 330 OE1 GLU A 22 -10.628 -11.273 -0.792 1.00 0.00 O ATOM 331 OE2 GLU A 22 -11.862 -12.133 -2.392 1.00 0.00 O ATOM 0 H GLU A 22 -15.274 -10.855 1.113 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.450 -12.378 2.724 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.408 -12.883 0.685 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.123 -12.811 0.329 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.839 -11.189 -1.186 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.882 -10.216 -0.087 1.00 0.00 H new ATOM 338 N ALA A 23 -12.715 -9.319 1.815 1.00 0.00 N ATOM 339 CA ALA A 23 -11.815 -8.201 2.062 1.00 0.00 C ATOM 340 C ALA A 23 -11.524 -8.097 3.556 1.00 0.00 C ATOM 341 O ALA A 23 -10.421 -7.735 3.966 1.00 0.00 O ATOM 342 CB ALA A 23 -12.421 -6.903 1.533 1.00 0.00 C ATOM 0 H ALA A 23 -13.528 -9.086 1.245 1.00 0.00 H new ATOM 0 HA ALA A 23 -10.877 -8.372 1.535 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.736 -6.077 1.725 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.591 -6.991 0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.369 -6.713 2.036 1.00 0.00 H new ATOM 348 N LEU A 24 -12.525 -8.441 4.361 1.00 0.00 N ATOM 349 CA LEU A 24 -12.391 -8.422 5.812 1.00 0.00 C ATOM 350 C LEU A 24 -11.529 -9.589 6.282 1.00 0.00 C ATOM 351 O LEU A 24 -10.722 -9.456 7.201 1.00 0.00 O ATOM 352 CB LEU A 24 -13.770 -8.497 6.473 1.00 0.00 C ATOM 353 CG LEU A 24 -13.843 -7.942 7.900 1.00 0.00 C ATOM 354 CD1 LEU A 24 -13.154 -8.886 8.872 1.00 0.00 C ATOM 355 CD2 LEU A 24 -13.222 -6.555 7.973 1.00 0.00 C ATOM 0 H LEU A 24 -13.443 -8.738 4.029 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.909 -7.488 6.101 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.482 -7.953 5.852 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -14.091 -9.539 6.489 1.00 0.00 H new ATOM 0 HG LEU A 24 -14.893 -7.859 8.181 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.215 -8.477 9.881 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -13.645 -9.859 8.844 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -12.108 -9.000 8.589 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.285 -6.181 8.995 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.176 -6.608 7.670 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.759 -5.880 7.306 1.00 0.00 H new ATOM 367 N ALA A 25 -11.728 -10.741 5.650 1.00 0.00 N ATOM 368 CA ALA A 25 -10.997 -11.953 5.998 1.00 0.00 C ATOM 369 C ALA A 25 -9.553 -11.908 5.510 1.00 0.00 C ATOM 370 O ALA A 25 -8.629 -12.234 6.255 1.00 0.00 O ATOM 371 CB ALA A 25 -11.709 -13.167 5.424 1.00 0.00 C ATOM 0 H ALA A 25 -12.395 -10.860 4.888 1.00 0.00 H new ATOM 0 HA ALA A 25 -10.970 -12.025 7.085 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.158 -14.070 5.687 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -12.717 -13.225 5.834 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.763 -13.078 4.339 1.00 0.00 H new ATOM 377 N VAL A 26 -9.359 -11.517 4.254 1.00 0.00 N ATOM 378 CA VAL A 26 -8.021 -11.450 3.675 1.00 0.00 C ATOM 379 C VAL A 26 -7.044 -10.757 4.615 1.00 0.00 C ATOM 380 O VAL A 26 -5.887 -11.155 4.712 1.00 0.00 O ATOM 381 CB VAL A 26 -8.019 -10.728 2.313 1.00 0.00 C ATOM 382 CG1 VAL A 26 -8.974 -11.410 1.348 1.00 0.00 C ATOM 383 CG2 VAL A 26 -8.376 -9.259 2.478 1.00 0.00 C ATOM 0 H VAL A 26 -10.109 -11.242 3.619 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.700 -12.480 3.522 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.013 -10.785 1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.960 -10.887 0.392 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.665 -12.445 1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.983 -11.388 1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.368 -8.771 1.503 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.369 -9.173 2.919 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.647 -8.778 3.130 1.00 0.00 H new ATOM 393 N GLN A 27 -7.507 -9.726 5.315 1.00 0.00 N ATOM 394 CA GLN A 27 -6.643 -9.013 6.244 1.00 0.00 C ATOM 395 C GLN A 27 -6.099 -9.975 7.300 1.00 0.00 C ATOM 396 O GLN A 27 -4.895 -10.017 7.555 1.00 0.00 O ATOM 397 CB GLN A 27 -7.385 -7.812 6.873 1.00 0.00 C ATOM 398 CG GLN A 27 -8.164 -8.105 8.153 1.00 0.00 C ATOM 399 CD GLN A 27 -7.842 -7.125 9.265 1.00 0.00 C ATOM 400 OE1 GLN A 27 -7.384 -7.516 10.340 1.00 0.00 O ATOM 401 NE2 GLN A 27 -8.079 -5.843 9.011 1.00 0.00 N ATOM 0 H GLN A 27 -8.461 -9.371 5.257 1.00 0.00 H new ATOM 0 HA GLN A 27 -5.791 -8.607 5.699 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -6.656 -7.030 7.085 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.077 -7.410 6.133 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.233 -8.070 7.940 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.938 -9.117 8.488 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.459 -5.564 8.106 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.881 -5.137 9.720 1.00 0.00 H new ATOM 410 N GLU A 28 -6.991 -10.765 7.890 1.00 0.00 N ATOM 411 CA GLU A 28 -6.603 -11.748 8.893 1.00 0.00 C ATOM 412 C GLU A 28 -5.897 -12.938 8.243 1.00 0.00 C ATOM 413 O GLU A 28 -5.049 -13.587 8.857 1.00 0.00 O ATOM 414 CB GLU A 28 -7.835 -12.210 9.691 1.00 0.00 C ATOM 415 CG GLU A 28 -8.664 -13.291 9.008 1.00 0.00 C ATOM 416 CD GLU A 28 -8.651 -14.603 9.768 1.00 0.00 C ATOM 417 OE1 GLU A 28 -7.579 -14.975 10.290 1.00 0.00 O ATOM 418 OE2 GLU A 28 -9.712 -15.258 9.839 1.00 0.00 O ATOM 0 H GLU A 28 -7.991 -10.742 7.689 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.901 -11.280 9.583 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.505 -12.582 10.661 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.473 -11.347 9.881 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.692 -12.945 8.906 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.281 -13.455 8.001 1.00 0.00 H new ATOM 425 N ARG A 29 -6.275 -13.224 7.000 1.00 0.00 N ATOM 426 CA ARG A 29 -5.712 -14.345 6.251 1.00 0.00 C ATOM 427 C ARG A 29 -4.340 -14.010 5.672 1.00 0.00 C ATOM 428 O ARG A 29 -3.517 -14.900 5.456 1.00 0.00 O ATOM 429 CB ARG A 29 -6.673 -14.742 5.128 1.00 0.00 C ATOM 430 CG ARG A 29 -6.174 -15.885 4.262 1.00 0.00 C ATOM 431 CD ARG A 29 -6.403 -17.232 4.929 1.00 0.00 C ATOM 432 NE ARG A 29 -6.376 -18.333 3.969 1.00 0.00 N ATOM 433 CZ ARG A 29 -6.193 -19.608 4.306 1.00 0.00 C ATOM 434 NH1 ARG A 29 -6.017 -19.946 5.578 1.00 0.00 N ATOM 435 NH2 ARG A 29 -6.185 -20.547 3.370 1.00 0.00 N ATOM 0 H ARG A 29 -6.975 -12.690 6.486 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.581 -15.179 6.940 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.631 -15.023 5.566 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.855 -13.873 4.495 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.685 -15.863 3.299 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.111 -15.753 4.062 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.638 -17.395 5.688 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.364 -17.223 5.442 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.505 -18.112 2.982 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.022 -19.227 6.302 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.877 -20.924 5.831 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.319 -20.293 2.391 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.045 -21.524 3.629 1.00 0.00 H new ATOM 449 N LEU A 30 -4.099 -12.729 5.419 1.00 0.00 N ATOM 450 CA LEU A 30 -2.832 -12.286 4.861 1.00 0.00 C ATOM 451 C LEU A 30 -1.725 -12.424 5.893 1.00 0.00 C ATOM 452 O LEU A 30 -0.631 -12.903 5.595 1.00 0.00 O ATOM 453 CB LEU A 30 -2.951 -10.828 4.400 1.00 0.00 C ATOM 454 CG LEU A 30 -1.843 -10.340 3.466 1.00 0.00 C ATOM 455 CD1 LEU A 30 -0.486 -10.424 4.151 1.00 0.00 C ATOM 456 CD2 LEU A 30 -1.851 -11.141 2.171 1.00 0.00 C ATOM 0 H LEU A 30 -4.768 -11.979 5.593 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.584 -12.911 4.003 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.909 -10.702 3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.968 -10.187 5.281 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.031 -9.294 3.222 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.288 -10.072 3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.491 -9.802 5.046 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.282 -11.458 4.429 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.057 -10.782 1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.688 -12.195 2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.813 -11.020 1.674 1.00 0.00 H new ATOM 468 N LYS A 31 -2.024 -11.997 7.110 1.00 0.00 N ATOM 469 CA LYS A 31 -1.091 -12.054 8.202 1.00 0.00 C ATOM 470 C LYS A 31 -0.891 -13.485 8.703 1.00 0.00 C ATOM 471 O LYS A 31 -0.008 -13.746 9.520 1.00 0.00 O ATOM 472 CB LYS A 31 -1.619 -11.157 9.305 1.00 0.00 C ATOM 473 CG LYS A 31 -0.652 -10.064 9.707 1.00 0.00 C ATOM 474 CD LYS A 31 -0.341 -9.161 8.524 1.00 0.00 C ATOM 475 CE LYS A 31 1.086 -9.350 8.035 1.00 0.00 C ATOM 476 NZ LYS A 31 2.054 -8.526 8.811 1.00 0.00 N ATOM 0 H LYS A 31 -2.930 -11.600 7.360 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.112 -11.710 7.868 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.554 -10.702 8.977 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.851 -11.766 10.179 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.078 -9.475 10.519 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.269 -10.507 10.085 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.036 -9.373 7.711 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -0.493 -8.120 8.810 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.360 -10.402 8.114 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.146 -9.083 6.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.020 -8.722 8.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.839 -7.518 8.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.979 -8.762 9.821 1.00 0.00 H new ATOM 490 N ALA A 32 -1.721 -14.408 8.217 1.00 0.00 N ATOM 491 CA ALA A 32 -1.636 -15.804 8.627 1.00 0.00 C ATOM 492 C ALA A 32 -0.312 -16.427 8.203 1.00 0.00 C ATOM 493 O ALA A 32 0.179 -17.361 8.837 1.00 0.00 O ATOM 494 CB ALA A 32 -2.800 -16.592 8.045 1.00 0.00 C ATOM 0 H ALA A 32 -2.458 -14.212 7.540 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.689 -15.840 9.715 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.727 -17.634 8.358 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.740 -16.171 8.403 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.769 -16.537 6.957 1.00 0.00 H new ATOM 500 N GLY A 33 0.260 -15.907 7.123 1.00 0.00 N ATOM 501 CA GLY A 33 1.513 -16.424 6.629 1.00 0.00 C ATOM 502 C GLY A 33 1.660 -16.262 5.129 1.00 0.00 C ATOM 503 O GLY A 33 2.768 -16.338 4.596 1.00 0.00 O ATOM 0 H GLY A 33 -0.127 -15.134 6.582 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.335 -15.912 7.128 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.593 -17.480 6.886 1.00 0.00 H new ATOM 507 N GLU A 34 0.542 -16.036 4.443 1.00 0.00 N ATOM 508 CA GLU A 34 0.562 -15.862 2.994 1.00 0.00 C ATOM 509 C GLU A 34 1.125 -14.498 2.619 1.00 0.00 C ATOM 510 O GLU A 34 1.112 -13.568 3.424 1.00 0.00 O ATOM 511 CB GLU A 34 -0.843 -16.024 2.411 1.00 0.00 C ATOM 512 CG GLU A 34 -1.849 -15.030 2.965 1.00 0.00 C ATOM 513 CD GLU A 34 -3.261 -15.301 2.487 1.00 0.00 C ATOM 514 OE1 GLU A 34 -3.528 -16.434 2.031 1.00 0.00 O ATOM 515 OE2 GLU A 34 -4.103 -14.383 2.569 1.00 0.00 O ATOM 0 H GLU A 34 -0.384 -15.969 4.865 1.00 0.00 H new ATOM 0 HA GLU A 34 1.208 -16.633 2.574 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.793 -15.912 1.328 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.196 -17.036 2.611 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.825 -15.064 4.054 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.557 -14.022 2.671 1.00 0.00 H new ATOM 522 N LYS A 35 1.620 -14.389 1.393 1.00 0.00 N ATOM 523 CA LYS A 35 2.191 -13.137 0.910 1.00 0.00 C ATOM 524 C LYS A 35 1.188 -12.370 0.056 1.00 0.00 C ATOM 525 O LYS A 35 0.460 -12.956 -0.743 1.00 0.00 O ATOM 526 CB LYS A 35 3.464 -13.407 0.105 1.00 0.00 C ATOM 527 CG LYS A 35 4.422 -12.226 0.068 1.00 0.00 C ATOM 528 CD LYS A 35 5.825 -12.624 0.498 1.00 0.00 C ATOM 529 CE LYS A 35 6.753 -12.776 -0.696 1.00 0.00 C ATOM 530 NZ LYS A 35 6.996 -11.475 -1.378 1.00 0.00 N ATOM 0 H LYS A 35 1.638 -15.151 0.715 1.00 0.00 H new ATOM 0 HA LYS A 35 2.441 -12.526 1.777 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.978 -14.268 0.532 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.189 -13.673 -0.916 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.454 -11.815 -0.941 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.051 -11.437 0.722 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.225 -11.872 1.177 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.785 -13.563 1.050 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.703 -13.196 -0.366 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.321 -13.482 -1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.906 -11.511 -1.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.232 -11.292 -2.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.021 -10.712 -0.672 1.00 0.00 H new ATOM 544 N PHE A 36 1.163 -11.053 0.232 1.00 0.00 N ATOM 545 CA PHE A 36 0.255 -10.191 -0.519 1.00 0.00 C ATOM 546 C PHE A 36 0.336 -10.483 -2.015 1.00 0.00 C ATOM 547 O PHE A 36 -0.659 -10.386 -2.732 1.00 0.00 O ATOM 548 CB PHE A 36 0.581 -8.719 -0.258 1.00 0.00 C ATOM 549 CG PHE A 36 2.054 -8.434 -0.165 1.00 0.00 C ATOM 550 CD1 PHE A 36 2.849 -8.458 -1.300 1.00 0.00 C ATOM 551 CD2 PHE A 36 2.642 -8.151 1.057 1.00 0.00 C ATOM 552 CE1 PHE A 36 4.203 -8.201 -1.218 1.00 0.00 C ATOM 553 CE2 PHE A 36 3.997 -7.894 1.144 1.00 0.00 C ATOM 554 CZ PHE A 36 4.779 -7.919 0.007 1.00 0.00 C ATOM 0 H PHE A 36 1.763 -10.557 0.891 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.761 -10.397 -0.181 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.153 -8.114 -1.057 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.100 -8.408 0.670 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.405 -8.680 -2.259 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.036 -8.131 1.950 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.812 -8.220 -2.110 1.00 0.00 H new ATOM 0 HE2 PHE A 36 4.444 -7.674 2.102 1.00 0.00 H new ATOM 0 HZ PHE A 36 5.838 -7.719 0.074 1.00 0.00 H new ATOM 564 N GLY A 37 1.530 -10.842 -2.477 1.00 0.00 N ATOM 565 CA GLY A 37 1.720 -11.143 -3.882 1.00 0.00 C ATOM 566 C GLY A 37 0.868 -12.309 -4.342 1.00 0.00 C ATOM 567 O GLY A 37 0.352 -12.307 -5.460 1.00 0.00 O ATOM 0 H GLY A 37 2.368 -10.929 -1.903 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.477 -10.262 -4.476 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.771 -11.370 -4.064 1.00 0.00 H new ATOM 571 N LYS A 38 0.719 -13.306 -3.477 1.00 0.00 N ATOM 572 CA LYS A 38 -0.078 -14.483 -3.798 1.00 0.00 C ATOM 573 C LYS A 38 -1.542 -14.107 -3.997 1.00 0.00 C ATOM 574 O LYS A 38 -2.141 -14.428 -5.022 1.00 0.00 O ATOM 575 CB LYS A 38 0.043 -15.526 -2.685 1.00 0.00 C ATOM 576 CG LYS A 38 -0.746 -16.798 -2.954 1.00 0.00 C ATOM 577 CD LYS A 38 0.161 -17.946 -3.375 1.00 0.00 C ATOM 578 CE LYS A 38 -0.109 -19.201 -2.560 1.00 0.00 C ATOM 579 NZ LYS A 38 0.304 -20.434 -3.284 1.00 0.00 N ATOM 0 H LYS A 38 1.140 -13.322 -2.548 1.00 0.00 H new ATOM 0 HA LYS A 38 0.302 -14.907 -4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.094 -15.782 -2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -0.300 -15.087 -1.748 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.298 -17.080 -2.057 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.482 -16.611 -3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.011 -18.160 -4.433 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.203 -17.650 -3.254 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.426 -19.140 -1.612 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.171 -19.258 -2.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.103 -21.267 -2.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.225 -20.506 -4.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.323 -20.392 -3.488 1.00 0.00 H new ATOM 593 N LEU A 39 -2.110 -13.416 -3.013 1.00 0.00 N ATOM 594 CA LEU A 39 -3.502 -12.987 -3.076 1.00 0.00 C ATOM 595 C LEU A 39 -3.770 -12.212 -4.361 1.00 0.00 C ATOM 596 O LEU A 39 -4.872 -12.253 -4.904 1.00 0.00 O ATOM 597 CB LEU A 39 -3.856 -12.108 -1.871 1.00 0.00 C ATOM 598 CG LEU A 39 -3.880 -12.812 -0.506 1.00 0.00 C ATOM 599 CD1 LEU A 39 -4.798 -14.022 -0.539 1.00 0.00 C ATOM 600 CD2 LEU A 39 -2.481 -13.222 -0.075 1.00 0.00 C ATOM 0 H LEU A 39 -1.625 -13.141 -2.159 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.125 -13.882 -3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.139 -11.288 -1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.836 -11.664 -2.046 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.267 -12.103 0.226 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.799 -14.505 0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.810 -13.704 -0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.444 -14.727 -1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.530 -13.718 0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.059 -13.906 -0.812 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.850 -12.337 0.001 1.00 0.00 H new ATOM 612 N ALA A 40 -2.747 -11.511 -4.849 1.00 0.00 N ATOM 613 CA ALA A 40 -2.875 -10.719 -6.068 1.00 0.00 C ATOM 614 C ALA A 40 -3.462 -11.556 -7.197 1.00 0.00 C ATOM 615 O ALA A 40 -4.480 -11.201 -7.788 1.00 0.00 O ATOM 616 CB ALA A 40 -1.519 -10.164 -6.475 1.00 0.00 C ATOM 0 H ALA A 40 -1.823 -11.476 -4.419 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.553 -9.889 -5.870 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.626 -9.575 -7.386 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -1.130 -9.532 -5.677 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.828 -10.987 -6.655 1.00 0.00 H new ATOM 622 N LYS A 41 -2.819 -12.677 -7.476 1.00 0.00 N ATOM 623 CA LYS A 41 -3.274 -13.583 -8.516 1.00 0.00 C ATOM 624 C LYS A 41 -4.322 -14.554 -7.975 1.00 0.00 C ATOM 625 O LYS A 41 -5.103 -15.127 -8.736 1.00 0.00 O ATOM 626 CB LYS A 41 -2.093 -14.360 -9.103 1.00 0.00 C ATOM 627 CG LYS A 41 -1.426 -15.297 -8.108 1.00 0.00 C ATOM 628 CD LYS A 41 -1.948 -16.718 -8.247 1.00 0.00 C ATOM 629 CE LYS A 41 -1.232 -17.465 -9.360 1.00 0.00 C ATOM 630 NZ LYS A 41 -1.772 -17.113 -10.702 1.00 0.00 N ATOM 0 H LYS A 41 -1.974 -12.983 -6.993 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.732 -12.986 -9.305 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.439 -14.939 -9.959 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.352 -13.652 -9.476 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.347 -15.287 -8.264 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -1.605 -14.940 -7.094 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -1.815 -17.250 -7.305 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.018 -16.696 -8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.167 -17.234 -9.325 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.331 -18.538 -9.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -1.623 -17.908 -11.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.790 -16.914 -10.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.281 -16.270 -11.064 1.00 0.00 H new ATOM 644 N GLU A 42 -4.306 -14.770 -6.659 1.00 0.00 N ATOM 645 CA GLU A 42 -5.227 -15.712 -6.029 1.00 0.00 C ATOM 646 C GLU A 42 -6.678 -15.214 -6.030 1.00 0.00 C ATOM 647 O GLU A 42 -7.525 -15.784 -6.720 1.00 0.00 O ATOM 648 CB GLU A 42 -4.758 -16.007 -4.602 1.00 0.00 C ATOM 649 CG GLU A 42 -4.299 -17.441 -4.400 1.00 0.00 C ATOM 650 CD GLU A 42 -5.420 -18.444 -4.581 1.00 0.00 C ATOM 651 OE1 GLU A 42 -5.637 -18.891 -5.727 1.00 0.00 O ATOM 652 OE2 GLU A 42 -6.080 -18.785 -3.578 1.00 0.00 O ATOM 0 H GLU A 42 -3.668 -14.307 -6.012 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.217 -16.628 -6.619 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.939 -15.333 -4.350 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.572 -15.793 -3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.499 -17.665 -5.106 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.880 -17.547 -3.399 1.00 0.00 H new ATOM 659 N LEU A 43 -6.977 -14.161 -5.266 1.00 0.00 N ATOM 660 CA LEU A 43 -8.348 -13.636 -5.220 1.00 0.00 C ATOM 661 C LEU A 43 -8.438 -12.187 -5.691 1.00 0.00 C ATOM 662 O LEU A 43 -9.535 -11.681 -5.932 1.00 0.00 O ATOM 663 CB LEU A 43 -8.960 -13.762 -3.816 1.00 0.00 C ATOM 664 CG LEU A 43 -7.994 -13.632 -2.636 1.00 0.00 C ATOM 665 CD1 LEU A 43 -7.157 -14.890 -2.493 1.00 0.00 C ATOM 666 CD2 LEU A 43 -7.108 -12.403 -2.787 1.00 0.00 C ATOM 0 H LEU A 43 -6.306 -13.662 -4.682 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.923 -14.251 -5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.732 -13.000 -3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.456 -14.730 -3.746 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.582 -13.507 -1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.476 -14.780 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.811 -15.745 -2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.582 -15.050 -3.405 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.432 -12.335 -1.935 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.527 -12.484 -3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.730 -11.509 -2.828 1.00 0.00 H new ATOM 678 N SER A 44 -7.302 -11.509 -5.813 1.00 0.00 N ATOM 679 CA SER A 44 -7.306 -10.115 -6.243 1.00 0.00 C ATOM 680 C SER A 44 -7.832 -9.979 -7.665 1.00 0.00 C ATOM 681 O SER A 44 -7.466 -10.745 -8.555 1.00 0.00 O ATOM 682 CB SER A 44 -5.903 -9.524 -6.153 1.00 0.00 C ATOM 683 OG SER A 44 -5.918 -8.270 -5.492 1.00 0.00 O ATOM 0 H SER A 44 -6.377 -11.896 -5.623 1.00 0.00 H new ATOM 0 HA SER A 44 -7.969 -9.565 -5.576 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.249 -10.213 -5.618 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.490 -9.405 -7.155 1.00 0.00 H new ATOM 0 HG SER A 44 -5.573 -7.579 -6.094 1.00 0.00 H new ATOM 689 N ILE A 45 -8.695 -8.991 -7.863 1.00 0.00 N ATOM 690 CA ILE A 45 -9.288 -8.736 -9.168 1.00 0.00 C ATOM 691 C ILE A 45 -8.542 -7.626 -9.907 1.00 0.00 C ATOM 692 O ILE A 45 -8.721 -7.439 -11.111 1.00 0.00 O ATOM 693 CB ILE A 45 -10.770 -8.340 -9.030 1.00 0.00 C ATOM 694 CG1 ILE A 45 -10.894 -7.024 -8.265 1.00 0.00 C ATOM 695 CG2 ILE A 45 -11.542 -9.433 -8.311 1.00 0.00 C ATOM 696 CD1 ILE A 45 -12.273 -6.413 -8.314 1.00 0.00 C ATOM 0 H ILE A 45 -9.001 -8.350 -7.131 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.212 -9.660 -9.742 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.190 -8.210 -10.027 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.620 -7.194 -7.224 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.177 -6.311 -8.671 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.588 -9.140 -8.220 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -11.473 -10.361 -8.879 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.120 -9.583 -7.317 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.279 -5.482 -7.748 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.544 -6.209 -9.350 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -12.994 -7.106 -7.880 1.00 0.00 H new ATOM 708 N ASP A 46 -7.709 -6.891 -9.174 1.00 0.00 N ATOM 709 CA ASP A 46 -6.933 -5.796 -9.742 1.00 0.00 C ATOM 710 C ASP A 46 -6.275 -6.209 -11.059 1.00 0.00 C ATOM 711 O ASP A 46 -5.711 -7.298 -11.172 1.00 0.00 O ATOM 712 CB ASP A 46 -5.881 -5.323 -8.732 1.00 0.00 C ATOM 713 CG ASP A 46 -4.881 -4.352 -9.332 1.00 0.00 C ATOM 714 OD1 ASP A 46 -3.902 -4.814 -9.954 1.00 0.00 O ATOM 715 OD2 ASP A 46 -5.077 -3.127 -9.178 1.00 0.00 O ATOM 0 H ASP A 46 -7.555 -7.038 -8.176 1.00 0.00 H new ATOM 0 HA ASP A 46 -7.610 -4.970 -9.959 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.382 -4.846 -7.889 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.348 -6.188 -8.338 1.00 0.00 H new ATOM 720 N GLY A 47 -6.369 -5.334 -12.053 1.00 0.00 N ATOM 721 CA GLY A 47 -5.800 -5.614 -13.359 1.00 0.00 C ATOM 722 C GLY A 47 -4.296 -5.790 -13.314 1.00 0.00 C ATOM 723 O GLY A 47 -3.704 -5.741 -12.242 1.00 0.00 O ATOM 0 H GLY A 47 -6.833 -4.429 -11.977 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.256 -6.518 -13.764 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.047 -4.800 -14.041 1.00 0.00 H new ATOM 727 N GLY A 48 -3.699 -6.023 -14.489 1.00 0.00 N ATOM 728 CA GLY A 48 -2.255 -6.240 -14.625 1.00 0.00 C ATOM 729 C GLY A 48 -1.425 -5.919 -13.388 1.00 0.00 C ATOM 730 O GLY A 48 -0.558 -6.702 -13.007 1.00 0.00 O ATOM 0 H GLY A 48 -4.205 -6.066 -15.373 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.086 -7.282 -14.895 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.890 -5.633 -15.454 1.00 0.00 H new ATOM 734 N SER A 49 -1.683 -4.778 -12.759 1.00 0.00 N ATOM 735 CA SER A 49 -0.937 -4.385 -11.564 1.00 0.00 C ATOM 736 C SER A 49 -0.934 -5.507 -10.522 1.00 0.00 C ATOM 737 O SER A 49 -0.030 -5.591 -9.690 1.00 0.00 O ATOM 738 CB SER A 49 -1.538 -3.115 -10.959 1.00 0.00 C ATOM 739 OG SER A 49 -1.233 -1.979 -11.751 1.00 0.00 O ATOM 0 H SER A 49 -2.397 -4.111 -13.052 1.00 0.00 H new ATOM 0 HA SER A 49 0.094 -4.189 -11.860 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.619 -3.225 -10.876 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.153 -2.972 -9.949 1.00 0.00 H new ATOM 0 HG SER A 49 -1.630 -1.181 -11.344 1.00 0.00 H new ATOM 745 N ALA A 50 -1.944 -6.370 -10.581 1.00 0.00 N ATOM 746 CA ALA A 50 -2.057 -7.493 -9.655 1.00 0.00 C ATOM 747 C ALA A 50 -0.999 -8.549 -9.950 1.00 0.00 C ATOM 748 O ALA A 50 -0.660 -9.360 -9.089 1.00 0.00 O ATOM 749 CB ALA A 50 -3.451 -8.100 -9.728 1.00 0.00 C ATOM 0 H ALA A 50 -2.700 -6.313 -11.264 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.891 -7.121 -8.644 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.521 -8.936 -9.032 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.191 -7.345 -9.463 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.641 -8.454 -10.741 1.00 0.00 H new ATOM 755 N LYS A 51 -0.473 -8.526 -11.172 1.00 0.00 N ATOM 756 CA LYS A 51 0.552 -9.472 -11.585 1.00 0.00 C ATOM 757 C LYS A 51 1.918 -9.039 -11.060 1.00 0.00 C ATOM 758 O LYS A 51 2.915 -9.742 -11.227 1.00 0.00 O ATOM 759 CB LYS A 51 0.579 -9.579 -13.108 1.00 0.00 C ATOM 760 CG LYS A 51 0.029 -10.894 -13.631 1.00 0.00 C ATOM 761 CD LYS A 51 -0.830 -10.685 -14.866 1.00 0.00 C ATOM 762 CE LYS A 51 -2.016 -11.636 -14.888 1.00 0.00 C ATOM 763 NZ LYS A 51 -2.930 -11.358 -16.030 1.00 0.00 N ATOM 0 H LYS A 51 -0.743 -7.858 -11.894 1.00 0.00 H new ATOM 0 HA LYS A 51 0.316 -10.450 -11.167 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.001 -8.758 -13.533 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.605 -9.460 -13.455 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.854 -11.566 -13.869 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.562 -11.378 -12.853 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -1.187 -9.656 -14.892 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.225 -10.835 -15.760 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.657 -12.663 -14.952 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.568 -11.550 -13.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.725 -12.028 -16.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.293 -10.386 -15.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.410 -11.465 -16.925 1.00 0.00 H new ATOM 777 N ARG A 52 1.946 -7.876 -10.422 1.00 0.00 N ATOM 778 CA ARG A 52 3.169 -7.327 -9.862 1.00 0.00 C ATOM 779 C ARG A 52 3.177 -7.496 -8.344 1.00 0.00 C ATOM 780 O ARG A 52 3.829 -6.736 -7.630 1.00 0.00 O ATOM 781 CB ARG A 52 3.303 -5.845 -10.228 1.00 0.00 C ATOM 782 CG ARG A 52 2.575 -5.457 -11.507 1.00 0.00 C ATOM 783 CD ARG A 52 2.576 -3.951 -11.717 1.00 0.00 C ATOM 784 NE ARG A 52 3.929 -3.400 -11.746 1.00 0.00 N ATOM 785 CZ ARG A 52 4.557 -2.904 -10.680 1.00 0.00 C ATOM 786 NH1 ARG A 52 3.966 -2.896 -9.491 1.00 0.00 N ATOM 787 NH2 ARG A 52 5.785 -2.418 -10.805 1.00 0.00 N ATOM 0 H ARG A 52 1.123 -7.290 -10.280 1.00 0.00 H new ATOM 0 HA ARG A 52 4.017 -7.869 -10.280 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.919 -5.242 -9.406 1.00 0.00 H new ATOM 0 HB3 ARG A 52 4.360 -5.602 -10.335 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.050 -5.944 -12.359 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.548 -5.818 -11.465 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.069 -3.716 -12.653 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.008 -3.474 -10.918 1.00 0.00 H new ATOM 0 HE ARG A 52 4.424 -3.395 -12.638 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.023 -3.272 -9.388 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.455 -2.514 -8.681 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.246 -2.425 -11.715 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.268 -2.038 -9.991 1.00 0.00 H new ATOM 801 N ASP A 53 2.426 -8.489 -7.866 1.00 0.00 N ATOM 802 CA ASP A 53 2.313 -8.771 -6.436 1.00 0.00 C ATOM 803 C ASP A 53 1.723 -7.577 -5.687 1.00 0.00 C ATOM 804 O ASP A 53 1.905 -7.435 -4.479 1.00 0.00 O ATOM 805 CB ASP A 53 3.674 -9.184 -5.848 1.00 0.00 C ATOM 806 CG ASP A 53 4.563 -8.010 -5.468 1.00 0.00 C ATOM 807 OD1 ASP A 53 4.298 -7.376 -4.426 1.00 0.00 O ATOM 808 OD2 ASP A 53 5.530 -7.736 -6.208 1.00 0.00 O ATOM 0 H ASP A 53 1.882 -9.117 -8.457 1.00 0.00 H new ATOM 0 HA ASP A 53 1.629 -9.610 -6.310 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.505 -9.800 -4.965 1.00 0.00 H new ATOM 0 HB3 ASP A 53 4.199 -9.805 -6.574 1.00 0.00 H new ATOM 813 N GLY A 54 1.003 -6.727 -6.417 1.00 0.00 N ATOM 814 CA GLY A 54 0.385 -5.562 -5.811 1.00 0.00 C ATOM 815 C GLY A 54 1.387 -4.658 -5.120 1.00 0.00 C ATOM 816 O GLY A 54 1.018 -3.858 -4.263 1.00 0.00 O ATOM 0 H GLY A 54 0.837 -6.826 -7.419 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.140 -4.994 -6.579 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -0.363 -5.888 -5.088 1.00 0.00 H new ATOM 820 N SER A 55 2.657 -4.782 -5.493 1.00 0.00 N ATOM 821 CA SER A 55 3.706 -3.964 -4.897 1.00 0.00 C ATOM 822 C SER A 55 3.467 -2.485 -5.172 1.00 0.00 C ATOM 823 O SER A 55 4.002 -1.928 -6.131 1.00 0.00 O ATOM 824 CB SER A 55 5.074 -4.376 -5.436 1.00 0.00 C ATOM 825 OG SER A 55 5.687 -5.339 -4.597 1.00 0.00 O ATOM 0 H SER A 55 2.983 -5.438 -6.202 1.00 0.00 H new ATOM 0 HA SER A 55 3.684 -4.124 -3.819 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.964 -4.783 -6.441 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.716 -3.498 -5.516 1.00 0.00 H new ATOM 0 HG SER A 55 4.997 -5.899 -4.184 1.00 0.00 H new ATOM 831 N LEU A 56 2.665 -1.852 -4.324 1.00 0.00 N ATOM 832 CA LEU A 56 2.364 -0.434 -4.475 1.00 0.00 C ATOM 833 C LEU A 56 3.642 0.398 -4.382 1.00 0.00 C ATOM 834 O LEU A 56 3.712 1.507 -4.910 1.00 0.00 O ATOM 835 CB LEU A 56 1.358 0.020 -3.408 1.00 0.00 C ATOM 836 CG LEU A 56 -0.057 -0.548 -3.555 1.00 0.00 C ATOM 837 CD1 LEU A 56 -1.020 0.183 -2.633 1.00 0.00 C ATOM 838 CD2 LEU A 56 -0.531 -0.459 -5.001 1.00 0.00 C ATOM 0 H LEU A 56 2.212 -2.298 -3.526 1.00 0.00 H new ATOM 0 HA LEU A 56 1.920 -0.282 -5.459 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.743 -0.259 -2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.298 1.108 -3.429 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.033 -1.600 -3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.021 -0.232 -2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.695 0.064 -1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.035 1.243 -2.888 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.538 -0.868 -5.080 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.537 0.584 -5.318 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.143 -1.029 -5.641 1.00 0.00 H new ATOM 850 N GLY A 57 4.649 -0.146 -3.706 1.00 0.00 N ATOM 851 CA GLY A 57 5.909 0.558 -3.557 1.00 0.00 C ATOM 852 C GLY A 57 5.737 1.922 -2.919 1.00 0.00 C ATOM 853 O GLY A 57 4.693 2.208 -2.340 1.00 0.00 O ATOM 0 H GLY A 57 4.615 -1.062 -3.259 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.587 -0.041 -2.950 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.375 0.674 -4.535 1.00 0.00 H new ATOM 857 N TYR A 58 6.767 2.758 -3.017 1.00 0.00 N ATOM 858 CA TYR A 58 6.725 4.096 -2.424 1.00 0.00 C ATOM 859 C TYR A 58 5.673 4.983 -3.078 1.00 0.00 C ATOM 860 O TYR A 58 5.736 5.273 -4.273 1.00 0.00 O ATOM 861 CB TYR A 58 8.081 4.813 -2.525 1.00 0.00 C ATOM 862 CG TYR A 58 9.273 3.904 -2.740 1.00 0.00 C ATOM 863 CD1 TYR A 58 9.694 3.571 -4.022 1.00 0.00 C ATOM 864 CD2 TYR A 58 9.980 3.384 -1.663 1.00 0.00 C ATOM 865 CE1 TYR A 58 10.784 2.745 -4.225 1.00 0.00 C ATOM 866 CE2 TYR A 58 11.071 2.556 -1.857 1.00 0.00 C ATOM 867 CZ TYR A 58 11.468 2.241 -3.139 1.00 0.00 C ATOM 868 OH TYR A 58 12.554 1.418 -3.337 1.00 0.00 O ATOM 0 H TYR A 58 7.638 2.536 -3.499 1.00 0.00 H new ATOM 0 HA TYR A 58 6.469 3.939 -1.376 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.036 5.528 -3.346 1.00 0.00 H new ATOM 0 HB3 TYR A 58 8.241 5.386 -1.612 1.00 0.00 H new ATOM 0 HD1 TYR A 58 9.160 3.964 -4.875 1.00 0.00 H new ATOM 0 HD2 TYR A 58 9.673 3.630 -0.657 1.00 0.00 H new ATOM 0 HE1 TYR A 58 11.098 2.496 -5.228 1.00 0.00 H new ATOM 0 HE2 TYR A 58 11.609 2.159 -1.009 1.00 0.00 H new ATOM 0 HH TYR A 58 12.924 1.150 -2.470 1.00 0.00 H new ATOM 878 N PHE A 59 4.741 5.453 -2.264 1.00 0.00 N ATOM 879 CA PHE A 59 3.701 6.364 -2.721 1.00 0.00 C ATOM 880 C PHE A 59 3.523 7.466 -1.694 1.00 0.00 C ATOM 881 O PHE A 59 3.716 7.254 -0.500 1.00 0.00 O ATOM 882 CB PHE A 59 2.370 5.653 -2.943 1.00 0.00 C ATOM 883 CG PHE A 59 2.326 4.782 -4.173 1.00 0.00 C ATOM 884 CD1 PHE A 59 3.132 5.051 -5.271 1.00 0.00 C ATOM 885 CD2 PHE A 59 1.464 3.698 -4.230 1.00 0.00 C ATOM 886 CE1 PHE A 59 3.077 4.253 -6.398 1.00 0.00 C ATOM 887 CE2 PHE A 59 1.408 2.899 -5.355 1.00 0.00 C ATOM 888 CZ PHE A 59 2.215 3.177 -6.441 1.00 0.00 C ATOM 0 H PHE A 59 4.683 5.216 -1.274 1.00 0.00 H new ATOM 0 HA PHE A 59 4.014 6.778 -3.680 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.150 5.039 -2.070 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.580 6.401 -3.014 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.809 5.892 -5.244 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.829 3.476 -3.385 1.00 0.00 H new ATOM 0 HE1 PHE A 59 3.709 4.472 -7.246 1.00 0.00 H new ATOM 0 HE2 PHE A 59 0.733 2.056 -5.386 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.171 2.553 -7.322 1.00 0.00 H new ATOM 898 N GLY A 60 3.161 8.638 -2.164 1.00 0.00 N ATOM 899 CA GLY A 60 2.975 9.763 -1.270 1.00 0.00 C ATOM 900 C GLY A 60 1.514 10.142 -1.112 1.00 0.00 C ATOM 901 O GLY A 60 0.632 9.450 -1.618 1.00 0.00 O ATOM 0 H GLY A 60 2.990 8.838 -3.149 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.392 9.520 -0.293 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.531 10.621 -1.649 1.00 0.00 H new ATOM 905 N ARG A 61 1.260 11.242 -0.411 1.00 0.00 N ATOM 906 CA ARG A 61 -0.103 11.704 -0.195 1.00 0.00 C ATOM 907 C ARG A 61 -0.568 12.538 -1.378 1.00 0.00 C ATOM 908 O ARG A 61 -0.437 13.761 -1.385 1.00 0.00 O ATOM 909 CB ARG A 61 -0.226 12.514 1.106 1.00 0.00 C ATOM 910 CG ARG A 61 1.038 13.257 1.520 1.00 0.00 C ATOM 911 CD ARG A 61 1.441 14.299 0.488 1.00 0.00 C ATOM 912 NE ARG A 61 2.486 15.189 0.989 1.00 0.00 N ATOM 913 CZ ARG A 61 2.743 16.392 0.482 1.00 0.00 C ATOM 914 NH1 ARG A 61 2.037 16.853 -0.545 1.00 0.00 N ATOM 915 NH2 ARG A 61 3.709 17.138 1.000 1.00 0.00 N ATOM 0 H ARG A 61 1.978 11.827 0.015 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.741 10.825 -0.102 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.034 13.237 0.992 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.514 11.839 1.912 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.876 13.742 2.483 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.852 12.544 1.655 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.793 13.799 -0.414 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.568 14.887 0.207 1.00 0.00 H new ATOM 0 HE ARG A 61 3.052 14.869 1.775 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.293 16.284 -0.949 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.239 17.776 -0.929 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.256 16.790 1.788 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.906 18.060 0.611 1.00 0.00 H new ATOM 929 N GLY A 62 -1.112 11.861 -2.378 1.00 0.00 N ATOM 930 CA GLY A 62 -1.587 12.549 -3.556 1.00 0.00 C ATOM 931 C GLY A 62 -1.434 11.726 -4.823 1.00 0.00 C ATOM 932 O GLY A 62 -1.132 12.265 -5.887 1.00 0.00 O ATOM 0 H GLY A 62 -1.232 10.848 -2.393 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.637 12.807 -3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.041 13.485 -3.669 1.00 0.00 H new ATOM 936 N LYS A 63 -1.643 10.416 -4.709 1.00 0.00 N ATOM 937 CA LYS A 63 -1.526 9.522 -5.855 1.00 0.00 C ATOM 938 C LYS A 63 -2.684 8.529 -5.899 1.00 0.00 C ATOM 939 O LYS A 63 -3.275 8.298 -6.955 1.00 0.00 O ATOM 940 CB LYS A 63 -0.195 8.769 -5.805 1.00 0.00 C ATOM 941 CG LYS A 63 0.441 8.566 -7.172 1.00 0.00 C ATOM 942 CD LYS A 63 1.904 8.980 -7.177 1.00 0.00 C ATOM 943 CE LYS A 63 2.080 10.397 -7.699 1.00 0.00 C ATOM 944 NZ LYS A 63 1.765 11.415 -6.659 1.00 0.00 N ATOM 0 H LYS A 63 -1.894 9.952 -3.836 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.561 10.129 -6.760 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.499 9.317 -5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.355 7.796 -5.340 1.00 0.00 H new ATOM 0 HG2 LYS A 63 0.358 7.518 -7.460 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.104 9.146 -7.917 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.306 8.911 -6.166 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.477 8.289 -7.796 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.106 10.533 -8.041 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.433 10.549 -8.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.205 12.322 -6.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.734 11.537 -6.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.136 11.099 -5.740 1.00 0.00 H new ATOM 958 N MET A 64 -3.003 7.942 -4.750 1.00 0.00 N ATOM 959 CA MET A 64 -4.090 6.971 -4.663 1.00 0.00 C ATOM 960 C MET A 64 -5.383 7.633 -4.196 1.00 0.00 C ATOM 961 O MET A 64 -5.387 8.797 -3.798 1.00 0.00 O ATOM 962 CB MET A 64 -3.714 5.830 -3.714 1.00 0.00 C ATOM 963 CG MET A 64 -3.043 6.296 -2.432 1.00 0.00 C ATOM 964 SD MET A 64 -1.251 6.090 -2.471 1.00 0.00 S ATOM 965 CE MET A 64 -1.025 4.848 -1.201 1.00 0.00 C ATOM 0 H MET A 64 -2.525 8.121 -3.867 1.00 0.00 H new ATOM 0 HA MET A 64 -4.254 6.564 -5.661 1.00 0.00 H new ATOM 0 HB2 MET A 64 -4.614 5.270 -3.460 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.047 5.142 -4.234 1.00 0.00 H new ATOM 0 HG2 MET A 64 -3.280 7.346 -2.263 1.00 0.00 H new ATOM 0 HG3 MET A 64 -3.451 5.738 -1.589 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.522 5.293 -0.342 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.997 4.462 -0.892 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.419 4.032 -1.594 1.00 0.00 H new ATOM 975 N VAL A 65 -6.480 6.880 -4.251 1.00 0.00 N ATOM 976 CA VAL A 65 -7.782 7.392 -3.834 1.00 0.00 C ATOM 977 C VAL A 65 -7.730 7.929 -2.403 1.00 0.00 C ATOM 978 O VAL A 65 -6.851 7.564 -1.625 1.00 0.00 O ATOM 979 CB VAL A 65 -8.873 6.307 -3.940 1.00 0.00 C ATOM 980 CG1 VAL A 65 -9.019 5.834 -5.378 1.00 0.00 C ATOM 981 CG2 VAL A 65 -8.555 5.140 -3.019 1.00 0.00 C ATOM 0 H VAL A 65 -6.492 5.915 -4.580 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.036 8.209 -4.509 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.822 6.741 -3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.793 5.069 -5.432 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.296 6.676 -6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.072 5.417 -5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.335 4.384 -3.107 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -7.596 4.706 -3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.506 5.493 -1.989 1.00 0.00 H new ATOM 991 N LYS A 66 -8.667 8.812 -2.073 1.00 0.00 N ATOM 992 CA LYS A 66 -8.723 9.422 -0.745 1.00 0.00 C ATOM 993 C LYS A 66 -8.860 8.388 0.378 1.00 0.00 C ATOM 994 O LYS A 66 -8.139 8.456 1.374 1.00 0.00 O ATOM 995 CB LYS A 66 -9.883 10.415 -0.673 1.00 0.00 C ATOM 996 CG LYS A 66 -9.615 11.597 0.245 1.00 0.00 C ATOM 997 CD LYS A 66 -9.883 11.245 1.699 1.00 0.00 C ATOM 998 CE LYS A 66 -11.370 11.087 1.968 1.00 0.00 C ATOM 999 NZ LYS A 66 -11.966 12.323 2.547 1.00 0.00 N ATOM 0 H LYS A 66 -9.402 9.123 -2.708 1.00 0.00 H new ATOM 0 HA LYS A 66 -7.775 9.939 -0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -10.096 10.785 -1.676 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.776 9.893 -0.329 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.580 11.919 0.132 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.244 12.437 -0.049 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -9.366 10.319 1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -9.476 12.024 2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.882 10.838 1.039 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -11.528 10.253 2.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -12.981 12.173 2.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -11.495 12.547 3.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -11.838 13.114 1.884 1.00 0.00 H new ATOM 1013 N PRO A 67 -9.792 7.424 0.253 1.00 0.00 N ATOM 1014 CA PRO A 67 -9.999 6.406 1.288 1.00 0.00 C ATOM 1015 C PRO A 67 -8.797 5.487 1.438 1.00 0.00 C ATOM 1016 O PRO A 67 -8.417 5.115 2.548 1.00 0.00 O ATOM 1017 CB PRO A 67 -11.213 5.613 0.800 1.00 0.00 C ATOM 1018 CG PRO A 67 -11.348 5.917 -0.652 1.00 0.00 C ATOM 1019 CD PRO A 67 -10.709 7.258 -0.885 1.00 0.00 C ATOM 0 HA PRO A 67 -10.145 6.860 2.268 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.072 4.545 0.963 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -12.112 5.902 1.344 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.861 5.149 -1.253 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.398 5.934 -0.946 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -10.174 7.285 -1.834 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.453 8.054 -0.916 1.00 0.00 H new ATOM 1027 N PHE A 68 -8.204 5.127 0.311 1.00 0.00 N ATOM 1028 CA PHE A 68 -7.037 4.248 0.308 1.00 0.00 C ATOM 1029 C PHE A 68 -5.798 5.007 0.762 1.00 0.00 C ATOM 1030 O PHE A 68 -5.062 4.548 1.635 1.00 0.00 O ATOM 1031 CB PHE A 68 -6.807 3.657 -1.084 1.00 0.00 C ATOM 1032 CG PHE A 68 -5.896 2.464 -1.090 1.00 0.00 C ATOM 1033 CD1 PHE A 68 -4.520 2.627 -1.115 1.00 0.00 C ATOM 1034 CD2 PHE A 68 -6.414 1.179 -1.076 1.00 0.00 C ATOM 1035 CE1 PHE A 68 -3.678 1.531 -1.125 1.00 0.00 C ATOM 1036 CE2 PHE A 68 -5.578 0.079 -1.084 1.00 0.00 C ATOM 1037 CZ PHE A 68 -4.208 0.255 -1.109 1.00 0.00 C ATOM 0 H PHE A 68 -8.508 5.428 -0.615 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.226 3.432 1.005 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.768 3.371 -1.511 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.387 4.427 -1.731 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.101 3.622 -1.127 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.484 1.035 -1.059 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.607 1.672 -1.145 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.995 -0.917 -1.071 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.552 -0.603 -1.116 1.00 0.00 H new ATOM 1047 N GLU A 69 -5.579 6.177 0.168 1.00 0.00 N ATOM 1048 CA GLU A 69 -4.431 7.005 0.517 1.00 0.00 C ATOM 1049 C GLU A 69 -4.409 7.284 2.016 1.00 0.00 C ATOM 1050 O GLU A 69 -3.346 7.404 2.622 1.00 0.00 O ATOM 1051 CB GLU A 69 -4.476 8.321 -0.261 1.00 0.00 C ATOM 1052 CG GLU A 69 -3.144 9.054 -0.302 1.00 0.00 C ATOM 1053 CD GLU A 69 -3.271 10.513 0.086 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -3.556 10.790 1.271 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -3.086 11.379 -0.793 1.00 0.00 O ATOM 0 H GLU A 69 -6.180 6.571 -0.555 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.522 6.466 0.251 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.800 8.118 -1.282 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.225 8.973 0.188 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.442 8.562 0.371 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.725 8.984 -1.306 1.00 0.00 H new ATOM 1062 N ASP A 70 -5.597 7.381 2.605 1.00 0.00 N ATOM 1063 CA ASP A 70 -5.720 7.640 4.035 1.00 0.00 C ATOM 1064 C ASP A 70 -5.210 6.454 4.849 1.00 0.00 C ATOM 1065 O ASP A 70 -4.382 6.613 5.746 1.00 0.00 O ATOM 1066 CB ASP A 70 -7.178 7.937 4.397 1.00 0.00 C ATOM 1067 CG ASP A 70 -7.417 9.409 4.666 1.00 0.00 C ATOM 1068 OD1 ASP A 70 -6.524 10.060 5.247 1.00 0.00 O ATOM 1069 OD2 ASP A 70 -8.499 9.913 4.297 1.00 0.00 O ATOM 0 H ASP A 70 -6.486 7.284 2.115 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.110 8.510 4.276 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -7.826 7.609 3.584 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.456 7.359 5.279 1.00 0.00 H new ATOM 1074 N ALA A 71 -5.711 5.266 4.526 1.00 0.00 N ATOM 1075 CA ALA A 71 -5.307 4.050 5.225 1.00 0.00 C ATOM 1076 C ALA A 71 -3.909 3.598 4.805 1.00 0.00 C ATOM 1077 O ALA A 71 -3.335 2.694 5.412 1.00 0.00 O ATOM 1078 CB ALA A 71 -6.317 2.942 4.975 1.00 0.00 C ATOM 0 H ALA A 71 -6.397 5.119 3.785 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.276 4.273 6.292 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -6.005 2.040 5.501 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -7.296 3.254 5.338 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.375 2.737 3.906 1.00 0.00 H new ATOM 1084 N ALA A 72 -3.367 4.226 3.764 1.00 0.00 N ATOM 1085 CA ALA A 72 -2.040 3.875 3.269 1.00 0.00 C ATOM 1086 C ALA A 72 -0.955 4.227 4.283 1.00 0.00 C ATOM 1087 O ALA A 72 -0.032 3.449 4.514 1.00 0.00 O ATOM 1088 CB ALA A 72 -1.774 4.571 1.944 1.00 0.00 C ATOM 0 H ALA A 72 -3.825 4.978 3.249 1.00 0.00 H new ATOM 0 HA ALA A 72 -2.013 2.796 3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.781 4.302 1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.521 4.261 1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -1.829 5.651 2.083 1.00 0.00 H new ATOM 1094 N PHE A 73 -1.073 5.409 4.881 1.00 0.00 N ATOM 1095 CA PHE A 73 -0.097 5.867 5.866 1.00 0.00 C ATOM 1096 C PHE A 73 -0.627 5.711 7.290 1.00 0.00 C ATOM 1097 O PHE A 73 -0.099 6.315 8.224 1.00 0.00 O ATOM 1098 CB PHE A 73 0.279 7.328 5.607 1.00 0.00 C ATOM 1099 CG PHE A 73 -0.898 8.210 5.301 1.00 0.00 C ATOM 1100 CD1 PHE A 73 -1.920 8.371 6.222 1.00 0.00 C ATOM 1101 CD2 PHE A 73 -0.979 8.881 4.091 1.00 0.00 C ATOM 1102 CE1 PHE A 73 -3.002 9.185 5.942 1.00 0.00 C ATOM 1103 CE2 PHE A 73 -2.058 9.696 3.805 1.00 0.00 C ATOM 1104 CZ PHE A 73 -3.071 9.847 4.733 1.00 0.00 C ATOM 0 H PHE A 73 -1.832 6.066 4.702 1.00 0.00 H new ATOM 0 HA PHE A 73 0.792 5.245 5.764 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.798 7.721 6.481 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.980 7.371 4.774 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.871 7.855 7.169 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -0.190 8.766 3.363 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -3.792 9.303 6.669 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -2.109 10.214 2.859 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.916 10.483 4.512 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.672 4.906 7.453 1.00 0.00 N ATOM 1115 CA ARG A 74 -2.263 4.685 8.767 1.00 0.00 C ATOM 1116 C ARG A 74 -1.709 3.416 9.404 1.00 0.00 C ATOM 1117 O ARG A 74 -1.662 3.295 10.629 1.00 0.00 O ATOM 1118 CB ARG A 74 -3.785 4.594 8.653 1.00 0.00 C ATOM 1119 CG ARG A 74 -4.525 5.407 9.705 1.00 0.00 C ATOM 1120 CD ARG A 74 -5.786 6.039 9.138 1.00 0.00 C ATOM 1121 NE ARG A 74 -6.937 5.847 10.017 1.00 0.00 N ATOM 1122 CZ ARG A 74 -7.592 4.694 10.139 1.00 0.00 C ATOM 1123 NH1 ARG A 74 -7.212 3.631 9.442 1.00 0.00 N ATOM 1124 NH2 ARG A 74 -8.629 4.605 10.960 1.00 0.00 N ATOM 0 H ARG A 74 -2.125 4.398 6.694 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.004 5.531 9.404 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.088 4.935 7.663 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.085 3.549 8.736 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.786 4.764 10.546 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.869 6.187 10.092 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -5.620 7.105 8.986 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.000 5.607 8.161 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.258 6.642 10.569 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -6.415 3.695 8.809 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.717 2.750 9.539 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.925 5.420 11.498 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.131 3.722 11.054 1.00 0.00 H new ATOM 1138 N LEU A 75 -1.292 2.473 8.567 1.00 0.00 N ATOM 1139 CA LEU A 75 -0.745 1.214 9.052 1.00 0.00 C ATOM 1140 C LEU A 75 0.772 1.187 8.931 1.00 0.00 C ATOM 1141 O LEU A 75 1.336 0.363 8.211 1.00 0.00 O ATOM 1142 CB LEU A 75 -1.348 0.039 8.282 1.00 0.00 C ATOM 1143 CG LEU A 75 -2.799 -0.312 8.624 1.00 0.00 C ATOM 1144 CD1 LEU A 75 -3.025 -1.792 8.410 1.00 0.00 C ATOM 1145 CD2 LEU A 75 -3.145 0.068 10.056 1.00 0.00 C ATOM 0 H LEU A 75 -1.323 2.557 7.551 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.006 1.124 10.107 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.290 0.260 7.216 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.730 -0.841 8.459 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.452 0.260 7.964 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.058 -2.041 8.654 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.827 -2.043 7.368 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.353 -2.360 9.054 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.182 -0.196 10.262 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.491 -0.469 10.743 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.010 1.141 10.190 1.00 0.00 H new ATOM 1157 N GLN A 76 1.428 2.079 9.657 1.00 0.00 N ATOM 1158 CA GLN A 76 2.881 2.144 9.649 1.00 0.00 C ATOM 1159 C GLN A 76 3.461 0.930 10.370 1.00 0.00 C ATOM 1160 O GLN A 76 4.629 0.584 10.193 1.00 0.00 O ATOM 1161 CB GLN A 76 3.359 3.436 10.309 1.00 0.00 C ATOM 1162 CG GLN A 76 3.382 4.625 9.363 1.00 0.00 C ATOM 1163 CD GLN A 76 4.584 5.523 9.584 1.00 0.00 C ATOM 1164 OE1 GLN A 76 5.596 5.100 10.142 1.00 0.00 O ATOM 1165 NE2 GLN A 76 4.478 6.773 9.147 1.00 0.00 N ATOM 0 H GLN A 76 0.977 2.768 10.259 1.00 0.00 H new ATOM 0 HA GLN A 76 3.229 2.137 8.616 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.709 3.666 11.153 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.361 3.281 10.710 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.386 4.266 8.334 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.470 5.207 9.494 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.620 7.082 8.690 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.254 7.423 9.269 1.00 0.00 H new ATOM 1174 N VAL A 77 2.622 0.281 11.173 1.00 0.00 N ATOM 1175 CA VAL A 77 3.025 -0.908 11.915 1.00 0.00 C ATOM 1176 C VAL A 77 3.362 -2.043 10.955 1.00 0.00 C ATOM 1177 O VAL A 77 4.150 -2.932 11.278 1.00 0.00 O ATOM 1178 CB VAL A 77 1.906 -1.370 12.881 1.00 0.00 C ATOM 1179 CG1 VAL A 77 0.556 -1.361 12.180 1.00 0.00 C ATOM 1180 CG2 VAL A 77 2.202 -2.755 13.450 1.00 0.00 C ATOM 0 H VAL A 77 1.653 0.562 11.326 1.00 0.00 H new ATOM 0 HA VAL A 77 3.908 -0.650 12.500 1.00 0.00 H new ATOM 0 HB VAL A 77 1.872 -0.666 13.712 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.217 -1.689 12.875 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.331 -0.351 11.837 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.585 -2.037 11.325 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.398 -3.051 14.124 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.275 -3.475 12.635 1.00 0.00 H new ATOM 0 HG23 VAL A 77 3.144 -2.730 13.998 1.00 0.00 H new ATOM 1190 N GLY A 78 2.751 -2.011 9.777 1.00 0.00 N ATOM 1191 CA GLY A 78 2.988 -3.045 8.795 1.00 0.00 C ATOM 1192 C GLY A 78 1.947 -4.128 8.862 1.00 0.00 C ATOM 1193 O GLY A 78 2.263 -5.297 9.090 1.00 0.00 O ATOM 0 H GLY A 78 2.095 -1.286 9.487 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.991 -2.605 7.798 1.00 0.00 H new ATOM 0 HA3 GLY A 78 3.975 -3.479 8.955 1.00 0.00 H new ATOM 1197 N GLU A 79 0.701 -3.735 8.691 1.00 0.00 N ATOM 1198 CA GLU A 79 -0.400 -4.674 8.763 1.00 0.00 C ATOM 1199 C GLU A 79 -1.445 -4.368 7.706 1.00 0.00 C ATOM 1200 O GLU A 79 -1.335 -3.378 6.982 1.00 0.00 O ATOM 1201 CB GLU A 79 -1.023 -4.588 10.147 1.00 0.00 C ATOM 1202 CG GLU A 79 -1.723 -5.856 10.594 1.00 0.00 C ATOM 1203 CD GLU A 79 -3.225 -5.693 10.699 1.00 0.00 C ATOM 1204 OE1 GLU A 79 -3.679 -4.577 11.030 1.00 0.00 O ATOM 1205 OE2 GLU A 79 -3.950 -6.680 10.450 1.00 0.00 O ATOM 0 H GLU A 79 0.425 -2.771 8.501 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.024 -5.681 8.581 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.244 -4.343 10.869 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.740 -3.767 10.160 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.498 -6.657 9.890 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.327 -6.162 11.562 1.00 0.00 H new ATOM 1212 N VAL A 80 -2.464 -5.209 7.629 1.00 0.00 N ATOM 1213 CA VAL A 80 -3.526 -5.000 6.665 1.00 0.00 C ATOM 1214 C VAL A 80 -4.563 -4.036 7.229 1.00 0.00 C ATOM 1215 O VAL A 80 -4.796 -4.002 8.436 1.00 0.00 O ATOM 1216 CB VAL A 80 -4.212 -6.320 6.259 1.00 0.00 C ATOM 1217 CG1 VAL A 80 -5.287 -6.065 5.213 1.00 0.00 C ATOM 1218 CG2 VAL A 80 -3.186 -7.320 5.741 1.00 0.00 C ATOM 0 H VAL A 80 -2.576 -6.035 8.218 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.071 -4.574 5.771 1.00 0.00 H new ATOM 0 HB VAL A 80 -4.688 -6.745 7.143 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.759 -7.008 4.939 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -6.038 -5.388 5.620 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.835 -5.616 4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -3.689 -8.245 5.460 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.679 -6.903 4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -2.454 -7.528 6.522 1.00 0.00 H new ATOM 1228 N SER A 81 -5.172 -3.239 6.358 1.00 0.00 N ATOM 1229 CA SER A 81 -6.164 -2.263 6.792 1.00 0.00 C ATOM 1230 C SER A 81 -7.578 -2.713 6.443 1.00 0.00 C ATOM 1231 O SER A 81 -7.778 -3.597 5.612 1.00 0.00 O ATOM 1232 CB SER A 81 -5.880 -0.898 6.160 1.00 0.00 C ATOM 1233 OG SER A 81 -4.683 -0.922 5.401 1.00 0.00 O ATOM 0 H SER A 81 -4.998 -3.249 5.353 1.00 0.00 H new ATOM 0 HA SER A 81 -6.093 -2.179 7.876 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.714 -0.611 5.519 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.803 -0.142 6.941 1.00 0.00 H new ATOM 0 HG SER A 81 -4.271 -0.033 5.411 1.00 0.00 H new ATOM 1239 N GLU A 82 -8.554 -2.101 7.108 1.00 0.00 N ATOM 1240 CA GLU A 82 -9.961 -2.429 6.904 1.00 0.00 C ATOM 1241 C GLU A 82 -10.345 -2.412 5.425 1.00 0.00 C ATOM 1242 O GLU A 82 -9.735 -1.714 4.610 1.00 0.00 O ATOM 1243 CB GLU A 82 -10.844 -1.450 7.677 1.00 0.00 C ATOM 1244 CG GLU A 82 -10.572 -1.439 9.173 1.00 0.00 C ATOM 1245 CD GLU A 82 -9.717 -0.264 9.601 1.00 0.00 C ATOM 1246 OE1 GLU A 82 -8.476 -0.392 9.577 1.00 0.00 O ATOM 1247 OE2 GLU A 82 -10.291 0.788 9.960 1.00 0.00 O ATOM 0 H GLU A 82 -8.393 -1.368 7.799 1.00 0.00 H new ATOM 0 HA GLU A 82 -10.117 -3.441 7.276 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.693 -0.446 7.281 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -11.890 -1.705 7.508 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.520 -1.409 9.711 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -10.075 -2.367 9.455 1.00 0.00 H new ATOM 1254 N PRO A 83 -11.379 -3.179 5.060 1.00 0.00 N ATOM 1255 CA PRO A 83 -11.850 -3.240 3.681 1.00 0.00 C ATOM 1256 C PRO A 83 -12.315 -1.877 3.189 1.00 0.00 C ATOM 1257 O PRO A 83 -13.375 -1.388 3.582 1.00 0.00 O ATOM 1258 CB PRO A 83 -13.022 -4.227 3.733 1.00 0.00 C ATOM 1259 CG PRO A 83 -13.431 -4.269 5.164 1.00 0.00 C ATOM 1260 CD PRO A 83 -12.178 -4.032 5.956 1.00 0.00 C ATOM 0 HA PRO A 83 -11.065 -3.549 2.991 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -13.844 -3.897 3.098 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -12.722 -5.214 3.380 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -14.179 -3.506 5.379 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -13.876 -5.232 5.415 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -12.387 -3.537 6.905 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -11.665 -4.965 6.189 1.00 0.00 H new ATOM 1268 N VAL A 84 -11.508 -1.267 2.332 1.00 0.00 N ATOM 1269 CA VAL A 84 -11.824 0.048 1.784 1.00 0.00 C ATOM 1270 C VAL A 84 -12.383 -0.077 0.373 1.00 0.00 C ATOM 1271 O VAL A 84 -11.657 -0.392 -0.566 1.00 0.00 O ATOM 1272 CB VAL A 84 -10.573 0.947 1.734 1.00 0.00 C ATOM 1273 CG1 VAL A 84 -10.904 2.306 1.138 1.00 0.00 C ATOM 1274 CG2 VAL A 84 -9.958 1.100 3.114 1.00 0.00 C ATOM 0 H VAL A 84 -10.628 -1.661 2.000 1.00 0.00 H new ATOM 0 HA VAL A 84 -12.568 0.498 2.441 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.839 0.464 1.089 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -10.005 2.921 1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.282 2.176 0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.663 2.796 1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.077 1.739 3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.686 1.551 3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.669 0.120 3.494 1.00 0.00 H new ATOM 1284 N LYS A 85 -13.681 0.172 0.233 1.00 0.00 N ATOM 1285 CA LYS A 85 -14.335 0.081 -1.065 1.00 0.00 C ATOM 1286 C LYS A 85 -14.333 1.424 -1.784 1.00 0.00 C ATOM 1287 O LYS A 85 -14.991 2.373 -1.357 1.00 0.00 O ATOM 1288 CB LYS A 85 -15.773 -0.418 -0.905 1.00 0.00 C ATOM 1289 CG LYS A 85 -16.437 -0.786 -2.222 1.00 0.00 C ATOM 1290 CD LYS A 85 -17.197 0.391 -2.811 1.00 0.00 C ATOM 1291 CE LYS A 85 -17.792 0.043 -4.168 1.00 0.00 C ATOM 1292 NZ LYS A 85 -18.515 1.198 -4.768 1.00 0.00 N ATOM 0 H LYS A 85 -14.298 0.437 1.001 1.00 0.00 H new ATOM 0 HA LYS A 85 -13.772 -0.631 -1.668 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -15.776 -1.289 -0.250 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.364 0.354 -0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -15.680 -1.123 -2.930 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -17.121 -1.620 -2.065 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -17.993 0.691 -2.129 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -16.527 1.244 -2.914 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -16.997 -0.278 -4.842 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -18.477 -0.798 -4.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -18.906 0.921 -5.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -19.289 1.488 -4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -17.856 1.992 -4.895 1.00 0.00 H new ATOM 1306 N SER A 86 -13.597 1.487 -2.887 1.00 0.00 N ATOM 1307 CA SER A 86 -13.514 2.702 -3.684 1.00 0.00 C ATOM 1308 C SER A 86 -14.331 2.550 -4.962 1.00 0.00 C ATOM 1309 O SER A 86 -15.049 1.565 -5.134 1.00 0.00 O ATOM 1310 CB SER A 86 -12.055 3.014 -4.026 1.00 0.00 C ATOM 1311 OG SER A 86 -11.506 3.951 -3.116 1.00 0.00 O ATOM 0 H SER A 86 -13.048 0.708 -3.250 1.00 0.00 H new ATOM 0 HA SER A 86 -13.922 3.529 -3.102 1.00 0.00 H new ATOM 0 HB2 SER A 86 -11.469 2.095 -4.004 1.00 0.00 H new ATOM 0 HB3 SER A 86 -11.992 3.408 -5.040 1.00 0.00 H new ATOM 0 HG SER A 86 -11.361 4.805 -3.574 1.00 0.00 H new ATOM 1317 N GLU A 87 -14.219 3.523 -5.857 1.00 0.00 N ATOM 1318 CA GLU A 87 -14.950 3.482 -7.118 1.00 0.00 C ATOM 1319 C GLU A 87 -14.541 2.271 -7.955 1.00 0.00 C ATOM 1320 O GLU A 87 -15.238 1.896 -8.898 1.00 0.00 O ATOM 1321 CB GLU A 87 -14.711 4.769 -7.911 1.00 0.00 C ATOM 1322 CG GLU A 87 -13.249 5.174 -7.987 1.00 0.00 C ATOM 1323 CD GLU A 87 -12.968 6.485 -7.277 1.00 0.00 C ATOM 1324 OE1 GLU A 87 -13.274 7.550 -7.854 1.00 0.00 O ATOM 1325 OE2 GLU A 87 -12.443 6.447 -6.144 1.00 0.00 O ATOM 0 H GLU A 87 -13.631 4.348 -5.735 1.00 0.00 H new ATOM 0 HA GLU A 87 -16.012 3.394 -6.887 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -15.097 4.640 -8.922 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -15.280 5.578 -7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.635 4.388 -7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -12.954 5.261 -9.033 1.00 0.00 H new ATOM 1332 N PHE A 88 -13.406 1.664 -7.611 1.00 0.00 N ATOM 1333 CA PHE A 88 -12.909 0.502 -8.338 1.00 0.00 C ATOM 1334 C PHE A 88 -13.358 -0.804 -7.685 1.00 0.00 C ATOM 1335 O PHE A 88 -13.624 -1.791 -8.371 1.00 0.00 O ATOM 1336 CB PHE A 88 -11.380 0.547 -8.414 1.00 0.00 C ATOM 1337 CG PHE A 88 -10.861 1.142 -9.692 1.00 0.00 C ATOM 1338 CD1 PHE A 88 -10.650 0.346 -10.806 1.00 0.00 C ATOM 1339 CD2 PHE A 88 -10.586 2.497 -9.777 1.00 0.00 C ATOM 1340 CE1 PHE A 88 -10.172 0.893 -11.983 1.00 0.00 C ATOM 1341 CE2 PHE A 88 -10.108 3.049 -10.951 1.00 0.00 C ATOM 1342 CZ PHE A 88 -9.901 2.246 -12.055 1.00 0.00 C ATOM 0 H PHE A 88 -12.815 1.959 -6.834 1.00 0.00 H new ATOM 0 HA PHE A 88 -13.326 0.535 -9.344 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.999 1.125 -7.572 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -10.989 -0.465 -8.308 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.861 -0.712 -10.755 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.747 3.129 -8.916 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -10.011 0.263 -12.845 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -9.897 4.107 -11.004 1.00 0.00 H new ATOM 0 HZ PHE A 88 -9.528 2.675 -12.973 1.00 0.00 H new ATOM 1352 N GLY A 89 -13.435 -0.809 -6.356 1.00 0.00 N ATOM 1353 CA GLY A 89 -13.845 -2.008 -5.642 1.00 0.00 C ATOM 1354 C GLY A 89 -13.396 -2.009 -4.201 1.00 0.00 C ATOM 1355 O GLY A 89 -12.968 -0.983 -3.673 1.00 0.00 O ATOM 0 H GLY A 89 -13.222 -0.007 -5.762 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -14.931 -2.095 -5.680 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.437 -2.884 -6.146 1.00 0.00 H new ATOM 1359 N TYR A 90 -13.494 -3.167 -3.562 1.00 0.00 N ATOM 1360 CA TYR A 90 -13.098 -3.310 -2.178 1.00 0.00 C ATOM 1361 C TYR A 90 -11.591 -3.518 -2.086 1.00 0.00 C ATOM 1362 O TYR A 90 -11.084 -4.618 -2.301 1.00 0.00 O ATOM 1363 CB TYR A 90 -13.868 -4.466 -1.551 1.00 0.00 C ATOM 1364 CG TYR A 90 -14.969 -4.011 -0.618 1.00 0.00 C ATOM 1365 CD1 TYR A 90 -16.239 -3.726 -1.107 1.00 0.00 C ATOM 1366 CD2 TYR A 90 -14.741 -3.856 0.744 1.00 0.00 C ATOM 1367 CE1 TYR A 90 -17.248 -3.301 -0.266 1.00 0.00 C ATOM 1368 CE2 TYR A 90 -15.748 -3.431 1.591 1.00 0.00 C ATOM 1369 CZ TYR A 90 -16.999 -3.155 1.082 1.00 0.00 C ATOM 1370 OH TYR A 90 -18.003 -2.731 1.921 1.00 0.00 O ATOM 0 H TYR A 90 -13.848 -4.023 -3.989 1.00 0.00 H new ATOM 0 HA TYR A 90 -13.337 -2.402 -1.625 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -14.301 -5.078 -2.343 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.174 -5.101 -1.001 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -16.439 -3.839 -2.162 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -13.762 -4.071 1.147 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -18.229 -3.084 -0.663 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -15.555 -3.316 2.647 1.00 0.00 H new ATOM 0 HH TYR A 90 -18.252 -3.460 2.527 1.00 0.00 H new ATOM 1380 N HIS A 91 -10.882 -2.428 -1.803 1.00 0.00 N ATOM 1381 CA HIS A 91 -9.427 -2.443 -1.721 1.00 0.00 C ATOM 1382 C HIS A 91 -8.911 -2.915 -0.365 1.00 0.00 C ATOM 1383 O HIS A 91 -9.663 -3.046 0.600 1.00 0.00 O ATOM 1384 CB HIS A 91 -8.881 -1.042 -2.006 1.00 0.00 C ATOM 1385 CG HIS A 91 -9.168 -0.552 -3.393 1.00 0.00 C ATOM 1386 ND1 HIS A 91 -10.439 -0.489 -3.923 1.00 0.00 N ATOM 1387 CD2 HIS A 91 -8.337 -0.095 -4.358 1.00 0.00 C ATOM 1388 CE1 HIS A 91 -10.377 -0.017 -5.156 1.00 0.00 C ATOM 1389 NE2 HIS A 91 -9.113 0.231 -5.443 1.00 0.00 N ATOM 0 H HIS A 91 -11.299 -1.514 -1.625 1.00 0.00 H new ATOM 0 HA HIS A 91 -9.076 -3.155 -2.468 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.309 -0.342 -1.288 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.803 -1.043 -1.847 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -11.294 -0.764 -3.439 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.263 -0.004 -4.288 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -11.217 0.139 -5.816 1.00 0.00 H new ATOM 1398 N VAL A 92 -7.604 -3.148 -0.322 1.00 0.00 N ATOM 1399 CA VAL A 92 -6.911 -3.585 0.884 1.00 0.00 C ATOM 1400 C VAL A 92 -5.488 -3.044 0.862 1.00 0.00 C ATOM 1401 O VAL A 92 -4.928 -2.827 -0.212 1.00 0.00 O ATOM 1402 CB VAL A 92 -6.873 -5.121 0.995 1.00 0.00 C ATOM 1403 CG1 VAL A 92 -6.266 -5.547 2.322 1.00 0.00 C ATOM 1404 CG2 VAL A 92 -8.269 -5.703 0.829 1.00 0.00 C ATOM 0 H VAL A 92 -6.991 -3.038 -1.130 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.454 -3.201 1.748 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.244 -5.508 0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.248 -6.635 2.381 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.249 -5.163 2.397 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.865 -5.149 3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -8.222 -6.789 0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -8.923 -5.308 1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.663 -5.429 -0.150 1.00 0.00 H new ATOM 1414 N ILE A 93 -4.905 -2.802 2.033 1.00 0.00 N ATOM 1415 CA ILE A 93 -3.550 -2.257 2.092 1.00 0.00 C ATOM 1416 C ILE A 93 -2.649 -3.042 3.039 1.00 0.00 C ATOM 1417 O ILE A 93 -2.935 -3.161 4.228 1.00 0.00 O ATOM 1418 CB ILE A 93 -3.552 -0.776 2.529 1.00 0.00 C ATOM 1419 CG1 ILE A 93 -4.940 -0.153 2.325 1.00 0.00 C ATOM 1420 CG2 ILE A 93 -2.491 0.003 1.760 1.00 0.00 C ATOM 1421 CD1 ILE A 93 -4.969 1.350 2.505 1.00 0.00 C ATOM 0 H ILE A 93 -5.340 -2.971 2.940 1.00 0.00 H new ATOM 0 HA ILE A 93 -3.155 -2.341 1.080 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.313 -0.727 3.591 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -5.293 -0.396 1.323 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -5.638 -0.607 3.028 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.503 1.046 2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -1.509 -0.426 1.960 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.701 -0.053 0.692 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -5.983 1.716 2.345 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -4.648 1.602 3.516 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.297 1.816 1.784 1.00 0.00 H new ATOM 1433 N LYS A 94 -1.543 -3.549 2.500 1.00 0.00 N ATOM 1434 CA LYS A 94 -0.572 -4.301 3.288 1.00 0.00 C ATOM 1435 C LYS A 94 0.830 -3.735 3.073 1.00 0.00 C ATOM 1436 O LYS A 94 1.397 -3.852 1.989 1.00 0.00 O ATOM 1437 CB LYS A 94 -0.613 -5.786 2.921 1.00 0.00 C ATOM 1438 CG LYS A 94 -0.088 -6.697 4.019 1.00 0.00 C ATOM 1439 CD LYS A 94 1.356 -6.374 4.369 1.00 0.00 C ATOM 1440 CE LYS A 94 1.946 -7.411 5.312 1.00 0.00 C ATOM 1441 NZ LYS A 94 3.435 -7.375 5.312 1.00 0.00 N ATOM 0 H LYS A 94 -1.297 -3.451 1.515 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.831 -4.204 4.342 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.640 -6.066 2.688 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.026 -5.945 2.016 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.711 -6.593 4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.162 -7.736 3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.951 -6.329 3.457 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.408 -5.389 4.832 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.578 -7.234 6.323 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.606 -8.404 5.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.785 -7.488 6.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.801 -8.148 4.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 3.760 -6.464 4.931 1.00 0.00 H new ATOM 1455 N ARG A 95 1.373 -3.102 4.104 1.00 0.00 N ATOM 1456 CA ARG A 95 2.693 -2.484 4.027 1.00 0.00 C ATOM 1457 C ARG A 95 3.784 -3.473 3.639 1.00 0.00 C ATOM 1458 O ARG A 95 3.819 -4.615 4.098 1.00 0.00 O ATOM 1459 CB ARG A 95 3.049 -1.837 5.365 1.00 0.00 C ATOM 1460 CG ARG A 95 4.114 -0.759 5.255 1.00 0.00 C ATOM 1461 CD ARG A 95 5.514 -1.349 5.327 1.00 0.00 C ATOM 1462 NE ARG A 95 6.334 -0.691 6.344 1.00 0.00 N ATOM 1463 CZ ARG A 95 7.425 -1.232 6.879 1.00 0.00 C ATOM 1464 NH1 ARG A 95 7.834 -2.438 6.500 1.00 0.00 N ATOM 1465 NH2 ARG A 95 8.111 -0.567 7.799 1.00 0.00 N ATOM 0 H ARG A 95 0.917 -3.002 5.011 1.00 0.00 H new ATOM 0 HA ARG A 95 2.641 -1.728 3.243 1.00 0.00 H new ATOM 0 HB2 ARG A 95 2.149 -1.403 5.800 1.00 0.00 H new ATOM 0 HB3 ARG A 95 3.395 -2.609 6.052 1.00 0.00 H new ATOM 0 HG2 ARG A 95 3.993 -0.221 4.315 1.00 0.00 H new ATOM 0 HG3 ARG A 95 3.982 -0.033 6.057 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.448 -2.414 5.548 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.998 -1.255 4.355 1.00 0.00 H new ATOM 0 HE ARG A 95 6.053 0.237 6.661 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.310 -2.956 5.794 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.672 -2.846 6.915 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.802 0.359 8.096 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.948 -0.981 8.210 1.00 0.00 H new ATOM 1479 N LEU A 96 4.679 -2.989 2.785 1.00 0.00 N ATOM 1480 CA LEU A 96 5.802 -3.747 2.293 1.00 0.00 C ATOM 1481 C LEU A 96 6.838 -2.794 1.694 1.00 0.00 C ATOM 1482 O LEU A 96 6.573 -2.104 0.709 1.00 0.00 O ATOM 1483 CB LEU A 96 5.324 -4.759 1.247 1.00 0.00 C ATOM 1484 CG LEU A 96 5.549 -4.373 -0.220 1.00 0.00 C ATOM 1485 CD1 LEU A 96 7.003 -4.591 -0.618 1.00 0.00 C ATOM 1486 CD2 LEU A 96 4.622 -5.161 -1.132 1.00 0.00 C ATOM 0 H LEU A 96 4.635 -2.040 2.414 1.00 0.00 H new ATOM 0 HA LEU A 96 6.266 -4.294 3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.828 -5.708 1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.258 -4.929 1.397 1.00 0.00 H new ATOM 0 HG LEU A 96 5.319 -3.313 -0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.140 -4.311 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.648 -3.977 0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.263 -5.642 -0.487 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.798 -4.872 -2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.816 -6.227 -1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.586 -4.950 -0.868 1.00 0.00 H new ATOM 1498 N GLY A 97 8.014 -2.756 2.293 1.00 0.00 N ATOM 1499 CA GLY A 97 9.066 -1.889 1.802 1.00 0.00 C ATOM 1500 C GLY A 97 10.445 -2.340 2.240 1.00 0.00 C ATOM 1501 O GLY A 97 10.844 -3.466 1.875 1.00 0.00 O ATOM 1502 OXT GLY A 97 11.126 -1.568 2.947 1.00 0.00 O ATOM 0 H GLY A 97 8.262 -3.310 3.113 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.027 -1.857 0.713 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.890 -0.874 2.157 1.00 0.00 H new TER 1506 GLY A 97