USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 665 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 77 GLN : amide:sc= 0.449 K(o=0.37,f=-6.1) USER MOD Set 1.2: A 80 LYS NZ :NH3+ -114:sc= -0.0747 (180deg=-2.85!) USER MOD Set 2.1: A 21 THR OG1 : rot -59:sc= 1.01 USER MOD Set 2.2: A 70 THR OG1 : rot 4:sc= 0.826! USER MOD Single : A 6 SER OG : rot -150:sc= 0.515 USER MOD Single : A 7 SER OG : rot -97:sc= 1.28 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 HIS : no HD1:sc= -0.23 X(o=-0.23,f=-0.23) USER MOD Single : A 18 THR OG1 : rot -30:sc= 0.0207 USER MOD Single : A 19 SER OG : rot 147:sc= 1.21 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= -0.143 USER MOD Single : A 30 MET CE :methyl -105:sc= -0.651 (180deg=-3.24!) USER MOD Single : A 41 GLN : amide:sc= 0.139 X(o=0.14,f=0) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 44 LYS NZ :NH3+ -156:sc= -1.32! (180deg=-2.39!) USER MOD Single : A 46 GLN : amide:sc= 0.102 K(o=0.1,f=-3.9!) USER MOD Single : A 47 GLN : amide:sc= -0.535 X(o=-0.54,f=-0.24) USER MOD Single : A 49 SER OG : rot -82:sc= 1 USER MOD Single : A 51 CYS SG : rot -50:sc= -1.8 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.557! X(o=-0.56!,f=-0.73) USER MOD Single : A 56 SER OG : rot 143:sc= 1.03 USER MOD Single : A 59 SER OG : rot -149:sc= 1.28 USER MOD Single : A 66 SER OG : rot 145:sc= -3.77! USER MOD Single : A 68 SER OG : rot -47:sc= 1.29 USER MOD Single : A 75 SER OG : rot -107:sc= -0.716 USER MOD Single : A 78 LYS NZ :NH3+ -158:sc= 0.817 (180deg=0.0303) USER MOD Single : A 81 MET CE :methyl -140:sc= -0.0656 (180deg=-0.485) USER MOD Single : A 82 MET CE :methyl -169:sc= -0.0197 (180deg=-0.225) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 5 15.668 4.878 4.635 1.00 0.00 N ATOM 2 CA ILE A 5 15.639 6.227 4.097 1.00 0.00 C ATOM 3 C ILE A 5 15.524 6.193 2.579 1.00 0.00 C ATOM 4 O ILE A 5 16.496 5.893 1.884 1.00 0.00 O ATOM 5 CB ILE A 5 16.894 7.028 4.505 1.00 0.00 C ATOM 6 CG1 ILE A 5 17.077 6.992 6.027 1.00 0.00 C ATOM 7 CG2 ILE A 5 16.780 8.466 4.019 1.00 0.00 C ATOM 8 CD1 ILE A 5 18.343 7.672 6.504 1.00 0.00 C ATOM 0 HA ILE A 5 14.765 6.726 4.515 1.00 0.00 H new ATOM 0 HB ILE A 5 17.767 6.571 4.040 1.00 0.00 H new ATOM 0 HG12 ILE A 5 16.218 7.470 6.499 1.00 0.00 H new ATOM 0 HG13 ILE A 5 17.086 5.954 6.359 1.00 0.00 H new ATOM 0 HG21 ILE A 5 17.671 9.021 4.313 1.00 0.00 H new ATOM 0 HG22 ILE A 5 16.687 8.477 2.933 1.00 0.00 H new ATOM 0 HG23 ILE A 5 15.900 8.931 4.463 1.00 0.00 H new ATOM 0 HD11 ILE A 5 18.404 7.607 7.590 1.00 0.00 H new ATOM 0 HD12 ILE A 5 19.209 7.180 6.062 1.00 0.00 H new ATOM 0 HD13 ILE A 5 18.328 8.720 6.204 1.00 0.00 H new ATOM 20 N SER A 6 14.318 6.474 2.086 1.00 0.00 N ATOM 21 CA SER A 6 14.035 6.524 0.654 1.00 0.00 C ATOM 22 C SER A 6 14.136 5.134 0.034 1.00 0.00 C ATOM 23 O SER A 6 15.219 4.702 -0.370 1.00 0.00 O ATOM 24 CB SER A 6 14.981 7.499 -0.062 1.00 0.00 C ATOM 25 OG SER A 6 14.510 7.798 -1.368 1.00 0.00 O ATOM 0 H SER A 6 13.507 6.674 2.672 1.00 0.00 H new ATOM 0 HA SER A 6 13.014 6.886 0.528 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.067 8.419 0.517 1.00 0.00 H new ATOM 0 HB3 SER A 6 15.979 7.065 -0.122 1.00 0.00 H new ATOM 0 HG SER A 6 15.271 7.991 -1.954 1.00 0.00 H new ATOM 31 N SER A 7 12.998 4.445 -0.028 1.00 0.00 N ATOM 32 CA SER A 7 12.924 3.109 -0.601 1.00 0.00 C ATOM 33 C SER A 7 13.775 2.145 0.217 1.00 0.00 C ATOM 34 O SER A 7 13.898 2.317 1.426 1.00 0.00 O ATOM 35 CB SER A 7 13.395 3.140 -2.061 1.00 0.00 C ATOM 36 OG SER A 7 12.631 4.060 -2.822 1.00 0.00 O ATOM 0 H SER A 7 12.106 4.799 0.317 1.00 0.00 H new ATOM 0 HA SER A 7 11.890 2.764 -0.577 1.00 0.00 H new ATOM 0 HB2 SER A 7 14.449 3.416 -2.101 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.310 2.144 -2.496 1.00 0.00 H new ATOM 0 HG SER A 7 11.923 3.580 -3.301 1.00 0.00 H new ATOM 42 N GLN A 8 14.267 1.101 -0.448 1.00 0.00 N ATOM 43 CA GLN A 8 15.322 0.220 0.060 1.00 0.00 C ATOM 44 C GLN A 8 15.630 -0.831 -0.997 1.00 0.00 C ATOM 45 O GLN A 8 16.262 -0.519 -2.006 1.00 0.00 O ATOM 46 CB GLN A 8 14.976 -0.480 1.390 1.00 0.00 C ATOM 47 CG GLN A 8 15.423 0.270 2.635 1.00 0.00 C ATOM 48 CD GLN A 8 15.213 -0.536 3.899 1.00 0.00 C ATOM 49 OE1 GLN A 8 14.144 -0.498 4.503 1.00 0.00 O ATOM 50 NE2 GLN A 8 16.237 -1.262 4.315 1.00 0.00 N ATOM 0 H GLN A 8 13.937 0.837 -1.376 1.00 0.00 H new ATOM 0 HA GLN A 8 16.185 0.852 0.268 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.897 -0.627 1.438 1.00 0.00 H new ATOM 0 HB3 GLN A 8 15.433 -1.470 1.394 1.00 0.00 H new ATOM 0 HG2 GLN A 8 16.478 0.527 2.542 1.00 0.00 H new ATOM 0 HG3 GLN A 8 14.872 1.207 2.709 1.00 0.00 H new ATOM 0 HE21 GLN A 8 17.108 -1.266 3.784 1.00 0.00 H new ATOM 0 HE22 GLN A 8 16.156 -1.818 5.166 1.00 0.00 H new ATOM 59 N LEU A 9 15.130 -2.045 -0.767 1.00 0.00 N ATOM 60 CA LEU A 9 15.244 -3.173 -1.694 1.00 0.00 C ATOM 61 C LEU A 9 15.049 -4.470 -0.925 1.00 0.00 C ATOM 62 O LEU A 9 13.939 -4.980 -0.813 1.00 0.00 O ATOM 63 CB LEU A 9 16.603 -3.226 -2.410 1.00 0.00 C ATOM 64 CG LEU A 9 16.727 -4.289 -3.507 1.00 0.00 C ATOM 65 CD1 LEU A 9 15.689 -4.060 -4.596 1.00 0.00 C ATOM 66 CD2 LEU A 9 18.127 -4.277 -4.097 1.00 0.00 C ATOM 0 H LEU A 9 14.623 -2.278 0.087 1.00 0.00 H new ATOM 0 HA LEU A 9 14.476 -3.040 -2.456 1.00 0.00 H new ATOM 0 HB2 LEU A 9 16.801 -2.249 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 9 17.380 -3.403 -1.666 1.00 0.00 H new ATOM 0 HG LEU A 9 16.545 -5.267 -3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 9 15.794 -4.825 -5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 9 14.690 -4.115 -4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 9 15.839 -3.076 -5.040 1.00 0.00 H new ATOM 0 HD21 LEU A 9 18.201 -5.037 -4.875 1.00 0.00 H new ATOM 0 HD22 LEU A 9 18.332 -3.297 -4.527 1.00 0.00 H new ATOM 0 HD23 LEU A 9 18.854 -4.489 -3.313 1.00 0.00 H new ATOM 78 N GLY A 10 16.137 -4.962 -0.356 1.00 0.00 N ATOM 79 CA GLY A 10 16.104 -6.203 0.381 1.00 0.00 C ATOM 80 C GLY A 10 17.454 -6.886 0.365 1.00 0.00 C ATOM 81 O GLY A 10 17.877 -7.394 -0.671 1.00 0.00 O ATOM 0 H GLY A 10 17.053 -4.516 -0.394 1.00 0.00 H new ATOM 0 HA2 GLY A 10 15.804 -6.009 1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.353 -6.865 -0.051 1.00 0.00 H new ATOM 85 N PRO A 11 18.167 -6.895 1.499 1.00 0.00 N ATOM 86 CA PRO A 11 19.494 -7.512 1.599 1.00 0.00 C ATOM 87 C PRO A 11 19.422 -9.034 1.546 1.00 0.00 C ATOM 88 O PRO A 11 20.442 -9.719 1.458 1.00 0.00 O ATOM 89 CB PRO A 11 20.014 -7.054 2.970 1.00 0.00 C ATOM 90 CG PRO A 11 19.072 -5.986 3.423 1.00 0.00 C ATOM 91 CD PRO A 11 17.756 -6.294 2.772 1.00 0.00 C ATOM 0 HA PRO A 11 20.138 -7.219 0.770 1.00 0.00 H new ATOM 0 HB2 PRO A 11 20.036 -7.883 3.677 1.00 0.00 H new ATOM 0 HB3 PRO A 11 21.032 -6.672 2.895 1.00 0.00 H new ATOM 0 HG2 PRO A 11 18.979 -5.982 4.509 1.00 0.00 H new ATOM 0 HG3 PRO A 11 19.431 -4.999 3.131 1.00 0.00 H new ATOM 0 HD2 PRO A 11 17.157 -6.981 3.371 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.157 -5.396 2.622 1.00 0.00 H new ATOM 99 N ILE A 12 18.207 -9.554 1.599 1.00 0.00 N ATOM 100 CA ILE A 12 17.983 -10.987 1.584 1.00 0.00 C ATOM 101 C ILE A 12 17.247 -11.361 0.294 1.00 0.00 C ATOM 102 O ILE A 12 16.408 -10.601 -0.176 1.00 0.00 O ATOM 103 CB ILE A 12 17.167 -11.433 2.820 1.00 0.00 C ATOM 104 CG1 ILE A 12 17.345 -10.427 3.965 1.00 0.00 C ATOM 105 CG2 ILE A 12 17.617 -12.812 3.278 1.00 0.00 C ATOM 106 CD1 ILE A 12 16.538 -10.752 5.205 1.00 0.00 C ATOM 0 H ILE A 12 17.354 -8.997 1.653 1.00 0.00 H new ATOM 0 HA ILE A 12 18.944 -11.500 1.621 1.00 0.00 H new ATOM 0 HB ILE A 12 16.114 -11.475 2.542 1.00 0.00 H new ATOM 0 HG12 ILE A 12 18.400 -10.381 4.233 1.00 0.00 H new ATOM 0 HG13 ILE A 12 17.063 -9.436 3.610 1.00 0.00 H new ATOM 0 HG21 ILE A 12 17.035 -13.114 4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 12 17.465 -13.530 2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 12 18.674 -12.781 3.542 1.00 0.00 H new ATOM 0 HD11 ILE A 12 16.720 -9.994 5.966 1.00 0.00 H new ATOM 0 HD12 ILE A 12 15.477 -10.768 4.955 1.00 0.00 H new ATOM 0 HD13 ILE A 12 16.836 -11.728 5.587 1.00 0.00 H new ATOM 118 N HIS A 13 17.587 -12.507 -0.287 1.00 0.00 N ATOM 119 CA HIS A 13 17.066 -12.887 -1.606 1.00 0.00 C ATOM 120 C HIS A 13 15.764 -13.753 -1.608 1.00 0.00 C ATOM 121 O HIS A 13 15.195 -13.948 -2.685 1.00 0.00 O ATOM 122 CB HIS A 13 18.167 -13.597 -2.402 1.00 0.00 C ATOM 123 CG HIS A 13 17.854 -13.754 -3.862 1.00 0.00 C ATOM 124 ND1 HIS A 13 17.730 -14.979 -4.478 1.00 0.00 N ATOM 125 CD2 HIS A 13 17.635 -12.828 -4.826 1.00 0.00 C ATOM 126 CE1 HIS A 13 17.450 -14.800 -5.756 1.00 0.00 C ATOM 127 NE2 HIS A 13 17.384 -13.504 -5.991 1.00 0.00 N ATOM 0 H HIS A 13 18.219 -13.191 0.129 1.00 0.00 H new ATOM 0 HA HIS A 13 16.768 -11.949 -2.074 1.00 0.00 H new ATOM 0 HB2 HIS A 13 19.096 -13.037 -2.297 1.00 0.00 H new ATOM 0 HB3 HIS A 13 18.338 -14.582 -1.969 1.00 0.00 H new ATOM 0 HD2 HIS A 13 17.655 -11.756 -4.700 1.00 0.00 H new ATOM 0 HE1 HIS A 13 17.300 -15.582 -6.485 1.00 0.00 H new ATOM 0 HE2 HIS A 13 17.179 -13.075 -6.893 1.00 0.00 H new ATOM 136 N PRO A 14 15.267 -14.323 -0.465 1.00 0.00 N ATOM 137 CA PRO A 14 13.994 -15.084 -0.442 1.00 0.00 C ATOM 138 C PRO A 14 12.793 -14.271 -0.961 1.00 0.00 C ATOM 139 O PRO A 14 12.965 -13.153 -1.442 1.00 0.00 O ATOM 140 CB PRO A 14 13.814 -15.423 1.052 1.00 0.00 C ATOM 141 CG PRO A 14 14.693 -14.472 1.757 1.00 0.00 C ATOM 142 CD PRO A 14 15.881 -14.356 0.863 1.00 0.00 C ATOM 0 HA PRO A 14 14.034 -15.955 -1.096 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.775 -15.308 1.362 1.00 0.00 H new ATOM 0 HB3 PRO A 14 14.097 -16.455 1.261 1.00 0.00 H new ATOM 0 HG2 PRO A 14 14.205 -13.508 1.901 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.970 -14.840 2.745 1.00 0.00 H new ATOM 0 HD2 PRO A 14 16.458 -13.454 1.067 1.00 0.00 H new ATOM 0 HD3 PRO A 14 16.560 -15.201 0.977 1.00 0.00 H new ATOM 150 N PRO A 15 11.560 -14.825 -0.903 1.00 0.00 N ATOM 151 CA PRO A 15 10.341 -14.095 -1.267 1.00 0.00 C ATOM 152 C PRO A 15 10.304 -12.670 -0.698 1.00 0.00 C ATOM 153 O PRO A 15 10.915 -12.384 0.336 1.00 0.00 O ATOM 154 CB PRO A 15 9.206 -14.940 -0.662 1.00 0.00 C ATOM 155 CG PRO A 15 9.866 -16.076 0.053 1.00 0.00 C ATOM 156 CD PRO A 15 11.244 -16.205 -0.528 1.00 0.00 C ATOM 0 HA PRO A 15 10.267 -13.969 -2.347 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.602 -14.346 0.024 1.00 0.00 H new ATOM 0 HB3 PRO A 15 8.536 -15.306 -1.440 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.914 -15.884 1.125 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.301 -16.999 -0.081 1.00 0.00 H new ATOM 0 HD2 PRO A 15 11.955 -16.601 0.197 1.00 0.00 H new ATOM 0 HD3 PRO A 15 11.261 -16.873 -1.389 1.00 0.00 H new ATOM 164 N PRO A 16 9.568 -11.767 -1.372 1.00 0.00 N ATOM 165 CA PRO A 16 9.510 -10.325 -1.042 1.00 0.00 C ATOM 166 C PRO A 16 8.877 -9.989 0.314 1.00 0.00 C ATOM 167 O PRO A 16 8.252 -8.937 0.472 1.00 0.00 O ATOM 168 CB PRO A 16 8.655 -9.742 -2.167 1.00 0.00 C ATOM 169 CG PRO A 16 7.864 -10.883 -2.680 1.00 0.00 C ATOM 170 CD PRO A 16 8.744 -12.084 -2.548 1.00 0.00 C ATOM 0 HA PRO A 16 10.519 -9.921 -0.961 1.00 0.00 H new ATOM 0 HB2 PRO A 16 8.007 -8.947 -1.798 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.276 -9.309 -2.951 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.944 -11.008 -2.109 1.00 0.00 H new ATOM 0 HG3 PRO A 16 7.575 -10.723 -3.719 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.163 -12.995 -2.400 1.00 0.00 H new ATOM 0 HD3 PRO A 16 9.354 -12.236 -3.438 1.00 0.00 H new ATOM 178 N ARG A 17 9.073 -10.856 1.294 1.00 0.00 N ATOM 179 CA ARG A 17 8.618 -10.606 2.653 1.00 0.00 C ATOM 180 C ARG A 17 9.662 -9.773 3.386 1.00 0.00 C ATOM 181 O ARG A 17 9.566 -9.531 4.586 1.00 0.00 O ATOM 182 CB ARG A 17 8.370 -11.925 3.377 1.00 0.00 C ATOM 183 CG ARG A 17 7.283 -12.759 2.726 1.00 0.00 C ATOM 184 CD ARG A 17 7.172 -14.129 3.366 1.00 0.00 C ATOM 185 NE ARG A 17 6.140 -14.944 2.728 1.00 0.00 N ATOM 186 CZ ARG A 17 6.309 -16.219 2.378 1.00 0.00 C ATOM 187 NH1 ARG A 17 7.448 -16.842 2.663 1.00 0.00 N ATOM 188 NH2 ARG A 17 5.328 -16.874 1.771 1.00 0.00 N ATOM 0 H ARG A 17 9.550 -11.749 1.171 1.00 0.00 H new ATOM 0 HA ARG A 17 7.678 -10.055 2.629 1.00 0.00 H new ATOM 0 HB2 ARG A 17 9.296 -12.500 3.402 1.00 0.00 H new ATOM 0 HB3 ARG A 17 8.094 -11.720 4.411 1.00 0.00 H new ATOM 0 HG2 ARG A 17 6.328 -12.240 2.807 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.496 -12.870 1.663 1.00 0.00 H new ATOM 0 HD2 ARG A 17 8.132 -14.640 3.299 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.944 -14.018 4.426 1.00 0.00 H new ATOM 0 HE ARG A 17 5.236 -14.511 2.539 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.193 -16.344 3.150 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.577 -17.818 2.395 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.446 -16.402 1.573 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.456 -17.850 1.503 1.00 0.00 H new ATOM 202 N THR A 18 10.650 -9.338 2.617 1.00 0.00 N ATOM 203 CA THR A 18 11.707 -8.458 3.086 1.00 0.00 C ATOM 204 C THR A 18 12.610 -8.087 1.908 1.00 0.00 C ATOM 205 O THR A 18 13.374 -7.125 1.968 1.00 0.00 O ATOM 206 CB THR A 18 12.546 -9.112 4.210 1.00 0.00 C ATOM 207 OG1 THR A 18 13.528 -8.191 4.698 1.00 0.00 O ATOM 208 CG2 THR A 18 13.231 -10.379 3.717 1.00 0.00 C ATOM 0 H THR A 18 10.740 -9.592 1.633 1.00 0.00 H new ATOM 0 HA THR A 18 11.246 -7.563 3.503 1.00 0.00 H new ATOM 0 HB THR A 18 11.868 -9.379 5.021 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.792 -7.582 3.977 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.813 -10.817 4.528 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.478 -11.094 3.384 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.893 -10.135 2.886 1.00 0.00 H new ATOM 216 N SER A 19 12.491 -8.859 0.829 1.00 0.00 N ATOM 217 CA SER A 19 13.304 -8.671 -0.364 1.00 0.00 C ATOM 218 C SER A 19 12.694 -7.650 -1.315 1.00 0.00 C ATOM 219 O SER A 19 13.148 -7.495 -2.447 1.00 0.00 O ATOM 220 CB SER A 19 13.456 -10.014 -1.061 1.00 0.00 C ATOM 221 OG SER A 19 13.637 -11.041 -0.101 1.00 0.00 O ATOM 0 H SER A 19 11.828 -9.631 0.761 1.00 0.00 H new ATOM 0 HA SER A 19 14.278 -8.283 -0.065 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.573 -10.221 -1.665 1.00 0.00 H new ATOM 0 HB3 SER A 19 14.308 -9.986 -1.741 1.00 0.00 H new ATOM 0 HG SER A 19 13.231 -11.871 -0.429 1.00 0.00 H new ATOM 227 N MET A 20 11.667 -6.959 -0.850 1.00 0.00 N ATOM 228 CA MET A 20 11.028 -5.912 -1.632 1.00 0.00 C ATOM 229 C MET A 20 10.536 -4.815 -0.721 1.00 0.00 C ATOM 230 O MET A 20 9.533 -4.165 -1.006 1.00 0.00 O ATOM 231 CB MET A 20 9.858 -6.467 -2.432 1.00 0.00 C ATOM 232 CG MET A 20 10.274 -7.341 -3.594 1.00 0.00 C ATOM 233 SD MET A 20 10.875 -6.399 -5.010 1.00 0.00 S ATOM 234 CE MET A 20 11.297 -7.729 -6.135 1.00 0.00 C ATOM 0 H MET A 20 11.255 -7.105 0.072 1.00 0.00 H new ATOM 0 HA MET A 20 11.766 -5.510 -2.326 1.00 0.00 H new ATOM 0 HB2 MET A 20 9.216 -7.044 -1.767 1.00 0.00 H new ATOM 0 HB3 MET A 20 9.261 -5.637 -2.809 1.00 0.00 H new ATOM 0 HG2 MET A 20 11.054 -8.027 -3.264 1.00 0.00 H new ATOM 0 HG3 MET A 20 9.425 -7.950 -3.905 1.00 0.00 H new ATOM 0 HE1 MET A 20 11.686 -7.311 -7.063 1.00 0.00 H new ATOM 0 HE2 MET A 20 12.055 -8.365 -5.678 1.00 0.00 H new ATOM 0 HE3 MET A 20 10.407 -8.321 -6.348 1.00 0.00 H new ATOM 244 N THR A 21 11.238 -4.610 0.378 1.00 0.00 N ATOM 245 CA THR A 21 10.839 -3.595 1.318 1.00 0.00 C ATOM 246 C THR A 21 11.274 -2.237 0.809 1.00 0.00 C ATOM 247 O THR A 21 12.465 -1.957 0.680 1.00 0.00 O ATOM 248 CB THR A 21 11.435 -3.837 2.718 1.00 0.00 C ATOM 249 OG1 THR A 21 11.027 -5.121 3.210 1.00 0.00 O ATOM 250 CG2 THR A 21 10.987 -2.753 3.691 1.00 0.00 C ATOM 0 H THR A 21 12.077 -5.130 0.635 1.00 0.00 H new ATOM 0 HA THR A 21 9.754 -3.635 1.410 1.00 0.00 H new ATOM 0 HB THR A 21 12.521 -3.807 2.636 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.049 -5.160 3.250 1.00 0.00 H new ATOM 0 HG21 THR A 21 11.420 -2.944 4.673 1.00 0.00 H new ATOM 0 HG22 THR A 21 11.321 -1.780 3.331 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.900 -2.759 3.766 1.00 0.00 H new ATOM 258 N GLU A 22 10.298 -1.413 0.503 1.00 0.00 N ATOM 259 CA GLU A 22 10.549 -0.055 0.083 1.00 0.00 C ATOM 260 C GLU A 22 9.842 0.888 1.032 1.00 0.00 C ATOM 261 O GLU A 22 8.622 0.818 1.185 1.00 0.00 O ATOM 262 CB GLU A 22 10.067 0.152 -1.362 1.00 0.00 C ATOM 263 CG GLU A 22 10.027 1.606 -1.812 1.00 0.00 C ATOM 264 CD GLU A 22 10.012 1.753 -3.321 1.00 0.00 C ATOM 265 OE1 GLU A 22 8.990 1.423 -3.955 1.00 0.00 O ATOM 266 OE2 GLU A 22 11.032 2.195 -3.888 1.00 0.00 O ATOM 0 H GLU A 22 9.310 -1.665 0.538 1.00 0.00 H new ATOM 0 HA GLU A 22 11.619 0.150 0.107 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.721 -0.405 -2.033 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.069 -0.274 -1.463 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.141 2.086 -1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.893 2.130 -1.409 1.00 0.00 H new ATOM 273 N GLU A 23 10.602 1.736 1.709 1.00 0.00 N ATOM 274 CA GLU A 23 9.992 2.732 2.561 1.00 0.00 C ATOM 275 C GLU A 23 9.698 3.956 1.716 1.00 0.00 C ATOM 276 O GLU A 23 10.604 4.665 1.276 1.00 0.00 O ATOM 277 CB GLU A 23 10.891 3.084 3.746 1.00 0.00 C ATOM 278 CG GLU A 23 10.182 3.883 4.831 1.00 0.00 C ATOM 279 CD GLU A 23 9.149 3.068 5.598 1.00 0.00 C ATOM 280 OE1 GLU A 23 9.288 1.827 5.665 1.00 0.00 O ATOM 281 OE2 GLU A 23 8.203 3.667 6.159 1.00 0.00 O ATOM 0 H GLU A 23 11.622 1.752 1.684 1.00 0.00 H new ATOM 0 HA GLU A 23 9.067 2.337 2.982 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.282 2.164 4.181 1.00 0.00 H new ATOM 0 HB3 GLU A 23 11.746 3.655 3.386 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.923 4.270 5.531 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.692 4.744 4.377 1.00 0.00 H new ATOM 288 N TYR A 24 8.432 4.197 1.495 1.00 0.00 N ATOM 289 CA TYR A 24 8.011 5.134 0.486 1.00 0.00 C ATOM 290 C TYR A 24 7.901 6.533 1.062 1.00 0.00 C ATOM 291 O TYR A 24 7.210 6.759 2.054 1.00 0.00 O ATOM 292 CB TYR A 24 6.670 4.677 -0.085 1.00 0.00 C ATOM 293 CG TYR A 24 6.620 4.698 -1.590 1.00 0.00 C ATOM 294 CD1 TYR A 24 6.577 5.892 -2.287 1.00 0.00 C ATOM 295 CD2 TYR A 24 6.629 3.515 -2.312 1.00 0.00 C ATOM 296 CE1 TYR A 24 6.544 5.908 -3.666 1.00 0.00 C ATOM 297 CE2 TYR A 24 6.599 3.522 -3.691 1.00 0.00 C ATOM 298 CZ TYR A 24 6.555 4.720 -4.364 1.00 0.00 C ATOM 299 OH TYR A 24 6.527 4.730 -5.739 1.00 0.00 O ATOM 0 H TYR A 24 7.668 3.753 2.005 1.00 0.00 H new ATOM 0 HA TYR A 24 8.754 5.165 -0.311 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.461 3.666 0.264 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.880 5.318 0.306 1.00 0.00 H new ATOM 0 HD1 TYR A 24 6.569 6.825 -1.744 1.00 0.00 H new ATOM 0 HD2 TYR A 24 6.660 2.572 -1.786 1.00 0.00 H new ATOM 0 HE1 TYR A 24 6.510 6.848 -4.197 1.00 0.00 H new ATOM 0 HE2 TYR A 24 6.610 2.591 -4.239 1.00 0.00 H new ATOM 0 HH TYR A 24 6.541 3.809 -6.073 1.00 0.00 H new ATOM 309 N ARG A 25 8.617 7.462 0.444 1.00 0.00 N ATOM 310 CA ARG A 25 8.606 8.843 0.880 1.00 0.00 C ATOM 311 C ARG A 25 7.390 9.560 0.326 1.00 0.00 C ATOM 312 O ARG A 25 7.334 9.908 -0.853 1.00 0.00 O ATOM 313 CB ARG A 25 9.892 9.560 0.465 1.00 0.00 C ATOM 314 CG ARG A 25 11.114 9.094 1.238 1.00 0.00 C ATOM 315 CD ARG A 25 12.291 10.034 1.053 1.00 0.00 C ATOM 316 NE ARG A 25 12.925 9.888 -0.253 1.00 0.00 N ATOM 317 CZ ARG A 25 13.454 10.896 -0.937 1.00 0.00 C ATOM 318 NH1 ARG A 25 13.321 12.143 -0.504 1.00 0.00 N ATOM 319 NH2 ARG A 25 14.105 10.643 -2.067 1.00 0.00 N ATOM 0 H ARG A 25 9.213 7.279 -0.363 1.00 0.00 H new ATOM 0 HA ARG A 25 8.552 8.857 1.969 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.061 9.401 -0.600 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.765 10.633 0.611 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.868 9.023 2.298 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.393 8.093 0.908 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.952 11.063 1.176 1.00 0.00 H new ATOM 0 HD3 ARG A 25 13.028 9.846 1.834 1.00 0.00 H new ATOM 0 HE ARG A 25 12.964 8.956 -0.665 1.00 0.00 H new ATOM 0 HH11 ARG A 25 12.810 12.332 0.359 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.730 12.913 -1.034 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.194 9.683 -2.400 1.00 0.00 H new ATOM 0 HH22 ARG A 25 14.516 11.409 -2.601 1.00 0.00 H new ATOM 333 N VAL A 26 6.420 9.760 1.190 1.00 0.00 N ATOM 334 CA VAL A 26 5.158 10.352 0.808 1.00 0.00 C ATOM 335 C VAL A 26 4.887 11.609 1.629 1.00 0.00 C ATOM 336 O VAL A 26 4.903 11.573 2.860 1.00 0.00 O ATOM 337 CB VAL A 26 4.008 9.326 0.971 1.00 0.00 C ATOM 338 CG1 VAL A 26 4.201 8.484 2.221 1.00 0.00 C ATOM 339 CG2 VAL A 26 2.653 10.011 1.003 1.00 0.00 C ATOM 0 H VAL A 26 6.484 9.516 2.178 1.00 0.00 H new ATOM 0 HA VAL A 26 5.212 10.639 -0.242 1.00 0.00 H new ATOM 0 HB VAL A 26 4.035 8.668 0.102 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.380 7.773 2.311 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.145 7.943 2.153 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.217 9.132 3.097 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.869 9.262 1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.617 10.706 1.842 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.499 10.557 0.072 1.00 0.00 H new ATOM 349 N PRO A 27 4.652 12.740 0.948 1.00 0.00 N ATOM 350 CA PRO A 27 4.388 14.015 1.613 1.00 0.00 C ATOM 351 C PRO A 27 3.180 13.927 2.538 1.00 0.00 C ATOM 352 O PRO A 27 2.252 13.162 2.271 1.00 0.00 O ATOM 353 CB PRO A 27 4.117 14.984 0.458 1.00 0.00 C ATOM 354 CG PRO A 27 4.751 14.349 -0.732 1.00 0.00 C ATOM 355 CD PRO A 27 4.627 12.868 -0.518 1.00 0.00 C ATOM 0 HA PRO A 27 5.218 14.328 2.246 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.047 15.128 0.306 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.546 15.966 0.657 1.00 0.00 H new ATOM 0 HG2 PRO A 27 4.252 14.655 -1.651 1.00 0.00 H new ATOM 0 HG3 PRO A 27 5.796 14.645 -0.823 1.00 0.00 H new ATOM 0 HD2 PRO A 27 3.702 12.475 -0.941 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.448 12.323 -0.984 1.00 0.00 H new ATOM 363 N ASP A 28 3.198 14.685 3.619 1.00 0.00 N ATOM 364 CA ASP A 28 2.202 14.535 4.678 1.00 0.00 C ATOM 365 C ASP A 28 0.763 14.637 4.149 1.00 0.00 C ATOM 366 O ASP A 28 -0.062 13.749 4.387 1.00 0.00 O ATOM 367 CB ASP A 28 2.451 15.560 5.782 1.00 0.00 C ATOM 368 CG ASP A 28 1.487 15.408 6.944 1.00 0.00 C ATOM 369 OD1 ASP A 28 1.563 14.381 7.653 1.00 0.00 O ATOM 370 OD2 ASP A 28 0.669 16.323 7.167 1.00 0.00 O ATOM 0 H ASP A 28 3.891 15.414 3.792 1.00 0.00 H new ATOM 0 HA ASP A 28 2.312 13.532 5.091 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.473 15.456 6.146 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.361 16.564 5.368 1.00 0.00 H new ATOM 375 N GLY A 29 0.464 15.688 3.401 1.00 0.00 N ATOM 376 CA GLY A 29 -0.869 15.822 2.831 1.00 0.00 C ATOM 377 C GLY A 29 -1.166 14.724 1.824 1.00 0.00 C ATOM 378 O GLY A 29 -2.323 14.343 1.603 1.00 0.00 O ATOM 0 H GLY A 29 1.110 16.445 3.178 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.610 15.793 3.630 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.961 16.794 2.346 1.00 0.00 H new ATOM 382 N MET A 30 -0.108 14.174 1.254 1.00 0.00 N ATOM 383 CA MET A 30 -0.236 13.186 0.203 1.00 0.00 C ATOM 384 C MET A 30 -0.560 11.814 0.785 1.00 0.00 C ATOM 385 O MET A 30 -1.223 11.005 0.140 1.00 0.00 O ATOM 386 CB MET A 30 1.045 13.131 -0.621 1.00 0.00 C ATOM 387 CG MET A 30 0.879 12.416 -1.949 1.00 0.00 C ATOM 388 SD MET A 30 -0.501 13.065 -2.914 1.00 0.00 S ATOM 389 CE MET A 30 -0.094 14.808 -2.993 1.00 0.00 C ATOM 0 H MET A 30 0.855 14.399 1.505 1.00 0.00 H new ATOM 0 HA MET A 30 -1.060 13.477 -0.449 1.00 0.00 H new ATOM 0 HB2 MET A 30 1.393 14.147 -0.805 1.00 0.00 H new ATOM 0 HB3 MET A 30 1.820 12.629 -0.041 1.00 0.00 H new ATOM 0 HG2 MET A 30 1.799 12.511 -2.527 1.00 0.00 H new ATOM 0 HG3 MET A 30 0.724 11.352 -1.769 1.00 0.00 H new ATOM 0 HE1 MET A 30 -0.742 15.364 -2.315 1.00 0.00 H new ATOM 0 HE2 MET A 30 0.946 14.952 -2.701 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.238 15.170 -4.011 1.00 0.00 H new ATOM 399 N VAL A 31 -0.105 11.544 2.006 1.00 0.00 N ATOM 400 CA VAL A 31 -0.510 10.321 2.684 1.00 0.00 C ATOM 401 C VAL A 31 -1.975 10.444 3.083 1.00 0.00 C ATOM 402 O VAL A 31 -2.692 9.450 3.194 1.00 0.00 O ATOM 403 CB VAL A 31 0.366 9.972 3.916 1.00 0.00 C ATOM 404 CG1 VAL A 31 0.226 11.005 5.015 1.00 0.00 C ATOM 405 CG2 VAL A 31 0.021 8.584 4.440 1.00 0.00 C ATOM 0 H VAL A 31 0.530 12.142 2.535 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.369 9.497 1.985 1.00 0.00 H new ATOM 0 HB VAL A 31 1.407 9.977 3.592 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.855 10.725 5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.536 11.980 4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.814 11.055 5.337 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.645 8.356 5.304 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.029 8.556 4.733 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.199 7.845 3.659 1.00 0.00 H new ATOM 415 N GLY A 32 -2.420 11.681 3.267 1.00 0.00 N ATOM 416 CA GLY A 32 -3.837 11.932 3.427 1.00 0.00 C ATOM 417 C GLY A 32 -4.614 11.535 2.185 1.00 0.00 C ATOM 418 O GLY A 32 -5.777 11.142 2.266 1.00 0.00 O ATOM 0 H GLY A 32 -1.827 12.510 3.308 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.212 11.375 4.286 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.999 12.989 3.637 1.00 0.00 H new ATOM 422 N LEU A 33 -3.969 11.633 1.028 1.00 0.00 N ATOM 423 CA LEU A 33 -4.587 11.235 -0.220 1.00 0.00 C ATOM 424 C LEU A 33 -4.455 9.724 -0.485 1.00 0.00 C ATOM 425 O LEU A 33 -5.338 9.127 -1.101 1.00 0.00 O ATOM 426 CB LEU A 33 -3.975 12.031 -1.373 1.00 0.00 C ATOM 427 CG LEU A 33 -4.478 11.641 -2.757 1.00 0.00 C ATOM 428 CD1 LEU A 33 -5.967 11.923 -2.896 1.00 0.00 C ATOM 429 CD2 LEU A 33 -3.695 12.359 -3.845 1.00 0.00 C ATOM 0 H LEU A 33 -3.017 11.986 0.934 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.653 11.452 -0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.178 13.090 -1.213 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.892 11.907 -1.347 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.322 10.569 -2.876 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.300 11.636 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.517 11.349 -2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.152 12.986 -2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.075 12.062 -4.823 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.808 13.436 -3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.640 12.094 -3.770 1.00 0.00 H new ATOM 441 N ILE A 34 -3.375 9.095 -0.014 1.00 0.00 N ATOM 442 CA ILE A 34 -3.168 7.661 -0.261 1.00 0.00 C ATOM 443 C ILE A 34 -4.171 6.835 0.540 1.00 0.00 C ATOM 444 O ILE A 34 -4.537 5.722 0.155 1.00 0.00 O ATOM 445 CB ILE A 34 -1.718 7.193 0.053 1.00 0.00 C ATOM 446 CG1 ILE A 34 -1.500 5.743 -0.392 1.00 0.00 C ATOM 447 CG2 ILE A 34 -1.404 7.318 1.529 1.00 0.00 C ATOM 448 CD1 ILE A 34 -1.727 5.508 -1.870 1.00 0.00 C ATOM 0 H ILE A 34 -2.640 9.545 0.532 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.328 7.502 -1.327 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.045 7.844 -0.505 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.482 5.446 -0.140 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.170 5.096 0.175 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.383 6.983 1.714 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -1.505 8.359 1.836 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.097 6.702 2.102 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.552 4.458 -2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.753 5.771 -2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.039 6.126 -2.447 1.00 0.00 H new ATOM 460 N ILE A 35 -4.631 7.398 1.649 1.00 0.00 N ATOM 461 CA ILE A 35 -5.680 6.773 2.433 1.00 0.00 C ATOM 462 C ILE A 35 -7.048 7.070 1.830 1.00 0.00 C ATOM 463 O ILE A 35 -8.047 6.437 2.186 1.00 0.00 O ATOM 464 CB ILE A 35 -5.634 7.209 3.909 1.00 0.00 C ATOM 465 CG1 ILE A 35 -5.546 8.729 4.035 1.00 0.00 C ATOM 466 CG2 ILE A 35 -4.471 6.532 4.616 1.00 0.00 C ATOM 467 CD1 ILE A 35 -5.395 9.219 5.460 1.00 0.00 C ATOM 0 H ILE A 35 -4.293 8.285 2.023 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.509 5.697 2.406 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.561 6.897 4.390 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.699 9.084 3.447 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.443 9.172 3.602 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.447 6.847 5.659 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.595 5.450 4.566 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.537 6.813 4.130 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.339 10.308 5.466 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.254 8.896 6.049 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.483 8.807 5.892 1.00 0.00 H new ATOM 479 N GLY A 36 -7.076 8.050 0.925 1.00 0.00 N ATOM 480 CA GLY A 36 -8.268 8.353 0.148 1.00 0.00 C ATOM 481 C GLY A 36 -9.429 8.825 0.993 1.00 0.00 C ATOM 482 O GLY A 36 -9.559 10.010 1.282 1.00 0.00 O ATOM 0 H GLY A 36 -6.277 8.649 0.715 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.028 9.120 -0.588 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -8.568 7.463 -0.405 1.00 0.00 H new ATOM 486 N ARG A 37 -10.260 7.876 1.398 1.00 0.00 N ATOM 487 CA ARG A 37 -11.440 8.151 2.211 1.00 0.00 C ATOM 488 C ARG A 37 -11.066 8.391 3.673 1.00 0.00 C ATOM 489 O ARG A 37 -11.899 8.248 4.568 1.00 0.00 O ATOM 490 CB ARG A 37 -12.412 6.974 2.113 1.00 0.00 C ATOM 491 CG ARG A 37 -11.734 5.627 2.304 1.00 0.00 C ATOM 492 CD ARG A 37 -11.909 4.738 1.084 1.00 0.00 C ATOM 493 NE ARG A 37 -13.215 4.085 1.056 1.00 0.00 N ATOM 494 CZ ARG A 37 -13.911 3.853 -0.053 1.00 0.00 C ATOM 495 NH1 ARG A 37 -13.485 4.310 -1.226 1.00 0.00 N ATOM 496 NH2 ARG A 37 -15.049 3.175 0.013 1.00 0.00 N ATOM 0 H ARG A 37 -10.136 6.889 1.172 1.00 0.00 H new ATOM 0 HA ARG A 37 -11.913 9.057 1.832 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.193 7.091 2.864 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.901 6.994 1.139 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.672 5.777 2.497 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.150 5.130 3.180 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.785 5.336 0.181 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -11.126 3.980 1.075 1.00 0.00 H new ATOM 0 HE ARG A 37 -13.619 3.788 1.944 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.617 4.844 -1.281 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -14.026 4.127 -2.071 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -15.388 2.833 0.912 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.585 2.995 -0.836 1.00 0.00 H new ATOM 510 N GLY A 38 -9.812 8.739 3.905 1.00 0.00 N ATOM 511 CA GLY A 38 -9.355 9.036 5.245 1.00 0.00 C ATOM 512 C GLY A 38 -8.688 7.854 5.920 1.00 0.00 C ATOM 513 O GLY A 38 -8.345 7.925 7.097 1.00 0.00 O ATOM 0 H GLY A 38 -9.096 8.822 3.183 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -8.653 9.869 5.207 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.203 9.361 5.848 1.00 0.00 H new ATOM 517 N GLY A 39 -8.498 6.765 5.184 1.00 0.00 N ATOM 518 CA GLY A 39 -7.790 5.627 5.739 1.00 0.00 C ATOM 519 C GLY A 39 -8.161 4.311 5.086 1.00 0.00 C ATOM 520 O GLY A 39 -7.286 3.517 4.740 1.00 0.00 O ATOM 0 H GLY A 39 -8.818 6.650 4.222 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.717 5.788 5.631 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.997 5.565 6.807 1.00 0.00 H new ATOM 524 N GLU A 40 -9.456 4.091 4.904 1.00 0.00 N ATOM 525 CA GLU A 40 -9.973 2.808 4.425 1.00 0.00 C ATOM 526 C GLU A 40 -9.370 2.380 3.083 1.00 0.00 C ATOM 527 O GLU A 40 -9.248 1.188 2.819 1.00 0.00 O ATOM 528 CB GLU A 40 -11.500 2.868 4.320 1.00 0.00 C ATOM 529 CG GLU A 40 -12.128 1.608 3.743 1.00 0.00 C ATOM 530 CD GLU A 40 -13.627 1.726 3.568 1.00 0.00 C ATOM 531 OE1 GLU A 40 -14.101 2.806 3.156 1.00 0.00 O ATOM 532 OE2 GLU A 40 -14.339 0.742 3.840 1.00 0.00 O ATOM 0 H GLU A 40 -10.177 4.790 5.082 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.677 2.055 5.155 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.916 3.048 5.311 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.779 3.719 3.698 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.670 1.389 2.778 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.909 0.765 4.399 1.00 0.00 H new ATOM 539 N GLN A 41 -8.978 3.338 2.243 1.00 0.00 N ATOM 540 CA GLN A 41 -8.505 3.006 0.898 1.00 0.00 C ATOM 541 C GLN A 41 -7.250 2.146 0.946 1.00 0.00 C ATOM 542 O GLN A 41 -7.205 1.081 0.338 1.00 0.00 O ATOM 543 CB GLN A 41 -8.215 4.257 0.073 1.00 0.00 C ATOM 544 CG GLN A 41 -7.879 3.957 -1.378 1.00 0.00 C ATOM 545 CD GLN A 41 -7.522 5.201 -2.161 1.00 0.00 C ATOM 546 OE1 GLN A 41 -8.379 5.835 -2.774 1.00 0.00 O ATOM 547 NE2 GLN A 41 -6.256 5.565 -2.128 1.00 0.00 N ATOM 0 H GLN A 41 -8.978 4.334 2.464 1.00 0.00 H new ATOM 0 HA GLN A 41 -9.309 2.446 0.421 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.082 4.916 0.109 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.384 4.798 0.526 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.045 3.256 -1.417 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.730 3.466 -1.850 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.579 5.009 -1.606 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.953 6.403 -2.624 1.00 0.00 H new ATOM 556 N ILE A 42 -6.231 2.602 1.669 1.00 0.00 N ATOM 557 CA ILE A 42 -4.975 1.863 1.729 1.00 0.00 C ATOM 558 C ILE A 42 -5.196 0.500 2.365 1.00 0.00 C ATOM 559 O ILE A 42 -4.641 -0.493 1.910 1.00 0.00 O ATOM 560 CB ILE A 42 -3.858 2.631 2.480 1.00 0.00 C ATOM 561 CG1 ILE A 42 -2.547 1.842 2.445 1.00 0.00 C ATOM 562 CG2 ILE A 42 -4.256 2.937 3.917 1.00 0.00 C ATOM 563 CD1 ILE A 42 -1.994 1.646 1.046 1.00 0.00 C ATOM 0 H ILE A 42 -6.249 3.465 2.213 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.634 1.737 0.701 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.710 3.582 1.968 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.804 2.361 3.051 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.707 0.866 2.903 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.448 3.476 4.411 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.157 3.550 3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.448 2.005 4.448 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.065 1.079 1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.718 1.100 0.442 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.801 2.618 0.592 1.00 0.00 H new ATOM 575 N ASN A 43 -6.046 0.454 3.387 1.00 0.00 N ATOM 576 CA ASN A 43 -6.377 -0.800 4.051 1.00 0.00 C ATOM 577 C ASN A 43 -7.042 -1.743 3.056 1.00 0.00 C ATOM 578 O ASN A 43 -6.721 -2.923 2.988 1.00 0.00 O ATOM 579 CB ASN A 43 -7.300 -0.541 5.247 1.00 0.00 C ATOM 580 CG ASN A 43 -7.470 -1.755 6.139 1.00 0.00 C ATOM 581 OD1 ASN A 43 -6.599 -2.622 6.209 1.00 0.00 O ATOM 582 ND2 ASN A 43 -8.584 -1.810 6.853 1.00 0.00 N ATOM 0 H ASN A 43 -6.518 1.272 3.773 1.00 0.00 H new ATOM 0 HA ASN A 43 -5.462 -1.263 4.421 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.898 0.283 5.837 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.278 -0.225 4.883 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -8.744 -2.591 7.489 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -9.282 -1.071 6.767 1.00 0.00 H new ATOM 589 N LYS A 44 -7.948 -1.189 2.259 1.00 0.00 N ATOM 590 CA LYS A 44 -8.614 -1.929 1.199 1.00 0.00 C ATOM 591 C LYS A 44 -7.592 -2.493 0.213 1.00 0.00 C ATOM 592 O LYS A 44 -7.689 -3.646 -0.203 1.00 0.00 O ATOM 593 CB LYS A 44 -9.592 -1.004 0.464 1.00 0.00 C ATOM 594 CG LYS A 44 -10.333 -1.644 -0.706 1.00 0.00 C ATOM 595 CD LYS A 44 -11.471 -2.557 -0.257 1.00 0.00 C ATOM 596 CE LYS A 44 -10.979 -3.919 0.214 1.00 0.00 C ATOM 597 NZ LYS A 44 -10.231 -4.641 -0.853 1.00 0.00 N ATOM 0 H LYS A 44 -8.240 -0.214 2.331 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.162 -2.761 1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.326 -0.634 1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -9.042 -0.138 0.096 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.734 -0.860 -1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.628 -2.219 -1.306 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.022 -2.075 0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.170 -2.693 -1.082 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.336 -3.791 1.085 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.830 -4.522 0.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -10.266 -5.664 -0.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.663 -4.440 -1.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -9.241 -4.324 -0.858 1.00 0.00 H new ATOM 611 N ILE A 45 -6.613 -1.673 -0.139 1.00 0.00 N ATOM 612 CA ILE A 45 -5.602 -2.044 -1.125 1.00 0.00 C ATOM 613 C ILE A 45 -4.657 -3.116 -0.595 1.00 0.00 C ATOM 614 O ILE A 45 -4.437 -4.146 -1.242 1.00 0.00 O ATOM 615 CB ILE A 45 -4.781 -0.818 -1.564 1.00 0.00 C ATOM 616 CG1 ILE A 45 -5.701 0.211 -2.218 1.00 0.00 C ATOM 617 CG2 ILE A 45 -3.658 -1.220 -2.517 1.00 0.00 C ATOM 618 CD1 ILE A 45 -6.571 -0.356 -3.317 1.00 0.00 C ATOM 0 H ILE A 45 -6.495 -0.736 0.247 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.138 -2.448 -1.984 1.00 0.00 H new ATOM 0 HB ILE A 45 -4.321 -0.374 -0.681 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.340 0.651 -1.452 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.094 1.018 -2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.095 -0.334 -2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.992 -1.924 -2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.084 -1.689 -3.404 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.195 0.435 -3.732 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.940 -0.770 -4.103 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.206 -1.143 -2.909 1.00 0.00 H new ATOM 630 N GLN A 46 -4.109 -2.873 0.587 1.00 0.00 N ATOM 631 CA GLN A 46 -3.104 -3.755 1.157 1.00 0.00 C ATOM 632 C GLN A 46 -3.718 -5.082 1.604 1.00 0.00 C ATOM 633 O GLN A 46 -3.075 -6.127 1.529 1.00 0.00 O ATOM 634 CB GLN A 46 -2.366 -3.050 2.311 1.00 0.00 C ATOM 635 CG GLN A 46 -3.257 -2.533 3.435 1.00 0.00 C ATOM 636 CD GLN A 46 -3.334 -3.473 4.626 1.00 0.00 C ATOM 637 OE1 GLN A 46 -4.186 -4.354 4.691 1.00 0.00 O ATOM 638 NE2 GLN A 46 -2.441 -3.283 5.586 1.00 0.00 N ATOM 0 H GLN A 46 -4.345 -2.070 1.170 1.00 0.00 H new ATOM 0 HA GLN A 46 -2.373 -3.989 0.383 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.641 -3.745 2.735 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -1.802 -2.212 1.902 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.883 -1.565 3.769 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -4.262 -2.369 3.046 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -1.747 -2.540 5.498 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -2.447 -3.879 6.414 1.00 0.00 H new ATOM 647 N GLN A 47 -4.972 -5.041 2.037 1.00 0.00 N ATOM 648 CA GLN A 47 -5.665 -6.241 2.483 1.00 0.00 C ATOM 649 C GLN A 47 -6.087 -7.080 1.284 1.00 0.00 C ATOM 650 O GLN A 47 -6.015 -8.310 1.316 1.00 0.00 O ATOM 651 CB GLN A 47 -6.887 -5.859 3.325 1.00 0.00 C ATOM 652 CG GLN A 47 -7.488 -7.011 4.109 1.00 0.00 C ATOM 653 CD GLN A 47 -6.485 -7.666 5.040 1.00 0.00 C ATOM 654 OE1 GLN A 47 -6.325 -7.259 6.191 1.00 0.00 O ATOM 655 NE2 GLN A 47 -5.811 -8.695 4.551 1.00 0.00 N ATOM 0 H GLN A 47 -5.529 -4.188 2.088 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.988 -6.833 3.099 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -6.602 -5.070 4.021 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -7.651 -5.444 2.668 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -8.335 -6.648 4.691 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -7.875 -7.757 3.414 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.973 -9.001 3.592 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.130 -9.182 5.134 1.00 0.00 H new ATOM 664 N ASP A 48 -6.514 -6.400 0.224 1.00 0.00 N ATOM 665 CA ASP A 48 -6.915 -7.066 -1.013 1.00 0.00 C ATOM 666 C ASP A 48 -5.742 -7.810 -1.632 1.00 0.00 C ATOM 667 O ASP A 48 -5.844 -8.994 -1.947 1.00 0.00 O ATOM 668 CB ASP A 48 -7.465 -6.043 -2.012 1.00 0.00 C ATOM 669 CG ASP A 48 -7.630 -6.608 -3.410 1.00 0.00 C ATOM 670 OD1 ASP A 48 -8.580 -7.379 -3.636 1.00 0.00 O ATOM 671 OD2 ASP A 48 -6.807 -6.271 -4.287 1.00 0.00 O ATOM 0 H ASP A 48 -6.592 -5.383 0.196 1.00 0.00 H new ATOM 0 HA ASP A 48 -7.696 -7.787 -0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -8.429 -5.679 -1.657 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -6.795 -5.184 -2.050 1.00 0.00 H new ATOM 676 N SER A 49 -4.625 -7.112 -1.778 1.00 0.00 N ATOM 677 CA SER A 49 -3.449 -7.684 -2.407 1.00 0.00 C ATOM 678 C SER A 49 -2.804 -8.737 -1.513 1.00 0.00 C ATOM 679 O SER A 49 -2.463 -9.825 -1.968 1.00 0.00 O ATOM 680 CB SER A 49 -2.446 -6.578 -2.742 1.00 0.00 C ATOM 681 OG SER A 49 -2.178 -5.771 -1.604 1.00 0.00 O ATOM 0 H SER A 49 -4.511 -6.147 -1.468 1.00 0.00 H new ATOM 0 HA SER A 49 -3.758 -8.175 -3.330 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.518 -7.021 -3.104 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.839 -5.958 -3.548 1.00 0.00 H new ATOM 0 HG SER A 49 -2.889 -5.105 -1.501 1.00 0.00 H new ATOM 687 N GLY A 50 -2.660 -8.415 -0.235 1.00 0.00 N ATOM 688 CA GLY A 50 -1.997 -9.312 0.688 1.00 0.00 C ATOM 689 C GLY A 50 -0.686 -8.736 1.174 1.00 0.00 C ATOM 690 O GLY A 50 -0.013 -9.316 2.029 1.00 0.00 O ATOM 0 H GLY A 50 -2.992 -7.544 0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.649 -9.506 1.540 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.816 -10.270 0.200 1.00 0.00 H new ATOM 694 N CYS A 51 -0.328 -7.586 0.622 1.00 0.00 N ATOM 695 CA CYS A 51 0.888 -6.893 1.012 1.00 0.00 C ATOM 696 C CYS A 51 0.667 -6.144 2.316 1.00 0.00 C ATOM 697 O CYS A 51 -0.349 -5.473 2.500 1.00 0.00 O ATOM 698 CB CYS A 51 1.319 -5.930 -0.092 1.00 0.00 C ATOM 699 SG CYS A 51 2.756 -4.910 0.307 1.00 0.00 S ATOM 0 H CYS A 51 -0.867 -7.112 -0.102 1.00 0.00 H new ATOM 0 HA CYS A 51 1.681 -7.625 1.163 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.539 -6.506 -0.991 1.00 0.00 H new ATOM 0 HB3 CYS A 51 0.481 -5.275 -0.330 1.00 0.00 H new ATOM 0 HG CYS A 51 2.579 -4.345 1.464 1.00 0.00 H new ATOM 705 N LYS A 52 1.624 -6.261 3.211 1.00 0.00 N ATOM 706 CA LYS A 52 1.530 -5.661 4.524 1.00 0.00 C ATOM 707 C LYS A 52 1.994 -4.216 4.472 1.00 0.00 C ATOM 708 O LYS A 52 3.093 -3.877 4.910 1.00 0.00 O ATOM 709 CB LYS A 52 2.362 -6.469 5.511 1.00 0.00 C ATOM 710 CG LYS A 52 1.940 -7.928 5.583 1.00 0.00 C ATOM 711 CD LYS A 52 2.983 -8.770 6.285 1.00 0.00 C ATOM 712 CE LYS A 52 4.306 -8.750 5.537 1.00 0.00 C ATOM 713 NZ LYS A 52 5.345 -9.543 6.244 1.00 0.00 N ATOM 0 H LYS A 52 2.490 -6.775 3.049 1.00 0.00 H new ATOM 0 HA LYS A 52 0.492 -5.668 4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.412 -6.413 5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.277 -6.022 6.502 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.990 -8.008 6.111 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.778 -8.312 4.576 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.131 -8.398 7.299 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.627 -9.797 6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.163 -9.149 4.533 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.646 -7.720 5.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.234 -9.508 5.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.498 -9.146 7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.030 -10.531 6.328 1.00 0.00 H new ATOM 727 N VAL A 53 1.148 -3.377 3.910 1.00 0.00 N ATOM 728 CA VAL A 53 1.444 -1.966 3.785 1.00 0.00 C ATOM 729 C VAL A 53 1.113 -1.255 5.083 1.00 0.00 C ATOM 730 O VAL A 53 -0.046 -1.216 5.510 1.00 0.00 O ATOM 731 CB VAL A 53 0.651 -1.325 2.630 1.00 0.00 C ATOM 732 CG1 VAL A 53 1.036 0.133 2.447 1.00 0.00 C ATOM 733 CG2 VAL A 53 0.861 -2.099 1.343 1.00 0.00 C ATOM 0 H VAL A 53 0.242 -3.652 3.530 1.00 0.00 H new ATOM 0 HA VAL A 53 2.507 -1.864 3.567 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.408 -1.364 2.886 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.461 0.561 1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.823 0.683 3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 53 2.100 0.203 2.220 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.293 -1.630 0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.920 -2.098 1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.521 -3.126 1.476 1.00 0.00 H new ATOM 743 N GLN A 54 2.135 -0.720 5.721 1.00 0.00 N ATOM 744 CA GLN A 54 1.965 -0.045 6.991 1.00 0.00 C ATOM 745 C GLN A 54 2.396 1.401 6.894 1.00 0.00 C ATOM 746 O GLN A 54 3.477 1.709 6.393 1.00 0.00 O ATOM 747 CB GLN A 54 2.741 -0.773 8.086 1.00 0.00 C ATOM 748 CG GLN A 54 2.118 -2.108 8.446 1.00 0.00 C ATOM 749 CD GLN A 54 0.750 -1.954 9.081 1.00 0.00 C ATOM 750 OE1 GLN A 54 0.612 -1.966 10.303 1.00 0.00 O ATOM 751 NE2 GLN A 54 -0.266 -1.735 8.259 1.00 0.00 N ATOM 0 H GLN A 54 3.096 -0.740 5.378 1.00 0.00 H new ATOM 0 HA GLN A 54 0.907 -0.061 7.251 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.768 -0.931 7.756 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.786 -0.144 8.975 1.00 0.00 H new ATOM 0 HG2 GLN A 54 2.032 -2.720 7.548 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.777 -2.640 9.132 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.114 -1.732 7.250 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -1.200 -1.569 8.635 1.00 0.00 H new ATOM 760 N ILE A 55 1.529 2.283 7.355 1.00 0.00 N ATOM 761 CA ILE A 55 1.799 3.702 7.304 1.00 0.00 C ATOM 762 C ILE A 55 2.642 4.110 8.508 1.00 0.00 C ATOM 763 O ILE A 55 2.158 4.106 9.639 1.00 0.00 O ATOM 764 CB ILE A 55 0.496 4.534 7.278 1.00 0.00 C ATOM 765 CG1 ILE A 55 -0.439 4.051 6.159 1.00 0.00 C ATOM 766 CG2 ILE A 55 0.810 6.009 7.099 1.00 0.00 C ATOM 767 CD1 ILE A 55 0.171 4.107 4.774 1.00 0.00 C ATOM 0 H ILE A 55 0.630 2.038 7.770 1.00 0.00 H new ATOM 0 HA ILE A 55 2.344 3.903 6.381 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.011 4.397 8.233 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.740 3.025 6.370 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.344 4.658 6.170 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.119 6.579 7.083 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.432 6.352 7.926 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.342 6.156 6.159 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.554 3.749 4.043 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.446 5.135 4.539 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.060 3.477 4.742 1.00 0.00 H new ATOM 779 N SER A 56 3.901 4.436 8.258 1.00 0.00 N ATOM 780 CA SER A 56 4.829 4.806 9.315 1.00 0.00 C ATOM 781 C SER A 56 4.655 6.277 9.692 1.00 0.00 C ATOM 782 O SER A 56 4.965 7.178 8.896 1.00 0.00 O ATOM 783 CB SER A 56 6.269 4.551 8.861 1.00 0.00 C ATOM 784 OG SER A 56 6.406 3.264 8.277 1.00 0.00 O ATOM 0 H SER A 56 4.306 4.452 7.322 1.00 0.00 H new ATOM 0 HA SER A 56 4.616 4.195 10.192 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.566 5.313 8.140 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.942 4.639 9.714 1.00 0.00 H new ATOM 0 HG SER A 56 7.036 3.310 7.528 1.00 0.00 H new ATOM 790 N PRO A 57 4.141 6.535 10.910 1.00 0.00 N ATOM 791 CA PRO A 57 3.955 7.892 11.424 1.00 0.00 C ATOM 792 C PRO A 57 5.279 8.541 11.803 1.00 0.00 C ATOM 793 O PRO A 57 5.425 9.761 11.761 1.00 0.00 O ATOM 794 CB PRO A 57 3.079 7.684 12.661 1.00 0.00 C ATOM 795 CG PRO A 57 3.398 6.306 13.120 1.00 0.00 C ATOM 796 CD PRO A 57 3.692 5.514 11.878 1.00 0.00 C ATOM 0 HA PRO A 57 3.511 8.559 10.685 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.302 8.420 13.433 1.00 0.00 H new ATOM 0 HB3 PRO A 57 2.021 7.786 12.419 1.00 0.00 H new ATOM 0 HG2 PRO A 57 4.255 6.308 13.794 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.561 5.874 13.669 1.00 0.00 H new ATOM 0 HD2 PRO A 57 4.462 4.763 12.055 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.808 4.985 11.521 1.00 0.00 H new ATOM 804 N ASP A 58 6.241 7.710 12.166 1.00 0.00 N ATOM 805 CA ASP A 58 7.569 8.183 12.504 1.00 0.00 C ATOM 806 C ASP A 58 8.523 7.784 11.399 1.00 0.00 C ATOM 807 O ASP A 58 9.121 6.706 11.438 1.00 0.00 O ATOM 808 CB ASP A 58 8.039 7.600 13.836 1.00 0.00 C ATOM 809 CG ASP A 58 7.016 7.773 14.934 1.00 0.00 C ATOM 810 OD1 ASP A 58 6.737 8.929 15.320 1.00 0.00 O ATOM 811 OD2 ASP A 58 6.485 6.750 15.419 1.00 0.00 O ATOM 0 H ASP A 58 6.124 6.699 12.234 1.00 0.00 H new ATOM 0 HA ASP A 58 7.545 9.268 12.606 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.256 6.539 13.709 1.00 0.00 H new ATOM 0 HB3 ASP A 58 8.971 8.082 14.132 1.00 0.00 H new ATOM 816 N SER A 59 8.636 8.642 10.405 1.00 0.00 N ATOM 817 CA SER A 59 9.428 8.347 9.231 1.00 0.00 C ATOM 818 C SER A 59 10.914 8.233 9.579 1.00 0.00 C ATOM 819 O SER A 59 11.629 7.379 9.045 1.00 0.00 O ATOM 820 CB SER A 59 9.192 9.426 8.182 1.00 0.00 C ATOM 821 OG SER A 59 9.189 10.715 8.772 1.00 0.00 O ATOM 0 H SER A 59 8.185 9.556 10.389 1.00 0.00 H new ATOM 0 HA SER A 59 9.119 7.383 8.828 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.969 9.373 7.419 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.240 9.249 7.681 1.00 0.00 H new ATOM 0 HG SER A 59 8.591 11.304 8.267 1.00 0.00 H new ATOM 827 N GLY A 60 11.373 9.104 10.472 1.00 0.00 N ATOM 828 CA GLY A 60 12.732 9.017 10.975 1.00 0.00 C ATOM 829 C GLY A 60 13.738 9.692 10.064 1.00 0.00 C ATOM 830 O GLY A 60 14.408 10.645 10.460 1.00 0.00 O ATOM 0 H GLY A 60 10.825 9.873 10.858 1.00 0.00 H new ATOM 0 HA2 GLY A 60 12.779 9.474 11.963 1.00 0.00 H new ATOM 0 HA3 GLY A 60 13.004 7.968 11.096 1.00 0.00 H new ATOM 834 N GLY A 61 13.841 9.196 8.840 1.00 0.00 N ATOM 835 CA GLY A 61 14.762 9.765 7.873 1.00 0.00 C ATOM 836 C GLY A 61 14.091 10.794 6.998 1.00 0.00 C ATOM 837 O GLY A 61 14.686 11.314 6.057 1.00 0.00 O ATOM 0 H GLY A 61 13.299 8.403 8.496 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.601 10.224 8.396 1.00 0.00 H new ATOM 0 HA3 GLY A 61 15.172 8.970 7.250 1.00 0.00 H new ATOM 841 N LEU A 62 12.841 11.075 7.313 1.00 0.00 N ATOM 842 CA LEU A 62 11.993 11.890 6.458 1.00 0.00 C ATOM 843 C LEU A 62 11.377 13.025 7.267 1.00 0.00 C ATOM 844 O LEU A 62 11.199 12.901 8.478 1.00 0.00 O ATOM 845 CB LEU A 62 10.865 11.032 5.859 1.00 0.00 C ATOM 846 CG LEU A 62 11.257 9.941 4.845 1.00 0.00 C ATOM 847 CD1 LEU A 62 12.133 8.859 5.461 1.00 0.00 C ATOM 848 CD2 LEU A 62 10.006 9.308 4.289 1.00 0.00 C ATOM 0 H LEU A 62 12.384 10.747 8.164 1.00 0.00 H new ATOM 0 HA LEU A 62 12.604 12.301 5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.337 10.551 6.682 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.156 11.702 5.373 1.00 0.00 H new ATOM 0 HG LEU A 62 11.835 10.421 4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 62 12.380 8.116 4.703 1.00 0.00 H new ATOM 0 HD12 LEU A 62 13.051 9.307 5.842 1.00 0.00 H new ATOM 0 HD13 LEU A 62 11.597 8.379 6.279 1.00 0.00 H new ATOM 0 HD21 LEU A 62 10.278 8.535 3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.432 8.863 5.101 1.00 0.00 H new ATOM 0 HD23 LEU A 62 9.403 10.068 3.793 1.00 0.00 H new ATOM 860 N PRO A 63 11.076 14.160 6.621 1.00 0.00 N ATOM 861 CA PRO A 63 10.322 15.246 7.243 1.00 0.00 C ATOM 862 C PRO A 63 8.825 15.083 7.001 1.00 0.00 C ATOM 863 O PRO A 63 8.004 15.860 7.492 1.00 0.00 O ATOM 864 CB PRO A 63 10.847 16.455 6.489 1.00 0.00 C ATOM 865 CG PRO A 63 11.010 15.943 5.100 1.00 0.00 C ATOM 866 CD PRO A 63 11.479 14.512 5.241 1.00 0.00 C ATOM 0 HA PRO A 63 10.442 15.300 8.325 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.148 17.291 6.531 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.792 16.808 6.902 1.00 0.00 H new ATOM 0 HG2 PRO A 63 10.069 15.994 4.552 1.00 0.00 H new ATOM 0 HG3 PRO A 63 11.735 16.539 4.546 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.009 13.860 4.505 1.00 0.00 H new ATOM 0 HD3 PRO A 63 12.557 14.426 5.101 1.00 0.00 H new ATOM 874 N GLU A 64 8.494 14.073 6.218 1.00 0.00 N ATOM 875 CA GLU A 64 7.124 13.799 5.832 1.00 0.00 C ATOM 876 C GLU A 64 6.714 12.414 6.317 1.00 0.00 C ATOM 877 O GLU A 64 7.260 11.913 7.302 1.00 0.00 O ATOM 878 CB GLU A 64 6.993 13.920 4.310 1.00 0.00 C ATOM 879 CG GLU A 64 8.041 13.129 3.539 1.00 0.00 C ATOM 880 CD GLU A 64 8.535 13.871 2.314 1.00 0.00 C ATOM 881 OE1 GLU A 64 9.491 14.665 2.447 1.00 0.00 O ATOM 882 OE2 GLU A 64 7.972 13.681 1.218 1.00 0.00 O ATOM 0 H GLU A 64 9.172 13.417 5.830 1.00 0.00 H new ATOM 0 HA GLU A 64 6.455 14.525 6.295 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.002 13.579 4.012 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.066 14.971 4.031 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.884 12.912 4.195 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.619 12.171 3.235 1.00 0.00 H new ATOM 889 N ARG A 65 5.769 11.796 5.633 1.00 0.00 N ATOM 890 CA ARG A 65 5.285 10.488 6.037 1.00 0.00 C ATOM 891 C ARG A 65 6.078 9.401 5.327 1.00 0.00 C ATOM 892 O ARG A 65 6.686 9.649 4.284 1.00 0.00 O ATOM 893 CB ARG A 65 3.800 10.347 5.703 1.00 0.00 C ATOM 894 CG ARG A 65 3.105 9.258 6.499 1.00 0.00 C ATOM 895 CD ARG A 65 3.093 9.597 7.975 1.00 0.00 C ATOM 896 NE ARG A 65 2.459 10.892 8.225 1.00 0.00 N ATOM 897 CZ ARG A 65 2.144 11.357 9.431 1.00 0.00 C ATOM 898 NH1 ARG A 65 2.398 10.634 10.511 1.00 0.00 N ATOM 899 NH2 ARG A 65 1.582 12.550 9.553 1.00 0.00 N ATOM 0 H ARG A 65 5.323 12.176 4.798 1.00 0.00 H new ATOM 0 HA ARG A 65 5.416 10.383 7.114 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.301 11.298 5.890 1.00 0.00 H new ATOM 0 HB3 ARG A 65 3.693 10.134 4.639 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.083 9.135 6.141 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.614 8.307 6.344 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.562 8.819 8.523 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.115 9.612 8.354 1.00 0.00 H new ATOM 0 HE ARG A 65 2.244 11.479 7.419 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.836 9.718 10.420 1.00 0.00 H new ATOM 0 HH12 ARG A 65 2.155 10.994 11.434 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.391 13.111 8.723 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.340 12.908 10.477 1.00 0.00 H new ATOM 913 N SER A 66 6.091 8.205 5.887 1.00 0.00 N ATOM 914 CA SER A 66 6.714 7.090 5.213 1.00 0.00 C ATOM 915 C SER A 66 5.776 5.890 5.234 1.00 0.00 C ATOM 916 O SER A 66 4.908 5.793 6.097 1.00 0.00 O ATOM 917 CB SER A 66 8.065 6.773 5.855 1.00 0.00 C ATOM 918 OG SER A 66 7.935 6.537 7.242 1.00 0.00 O ATOM 0 H SER A 66 5.682 7.986 6.795 1.00 0.00 H new ATOM 0 HA SER A 66 6.903 7.348 4.171 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.501 5.897 5.375 1.00 0.00 H new ATOM 0 HB3 SER A 66 8.752 7.603 5.689 1.00 0.00 H new ATOM 0 HG SER A 66 8.573 5.846 7.518 1.00 0.00 H new ATOM 924 N VAL A 67 5.912 5.012 4.259 1.00 0.00 N ATOM 925 CA VAL A 67 5.048 3.846 4.154 1.00 0.00 C ATOM 926 C VAL A 67 5.876 2.611 3.847 1.00 0.00 C ATOM 927 O VAL A 67 6.713 2.637 2.951 1.00 0.00 O ATOM 928 CB VAL A 67 3.993 4.025 3.038 1.00 0.00 C ATOM 929 CG1 VAL A 67 3.091 2.810 2.948 1.00 0.00 C ATOM 930 CG2 VAL A 67 3.165 5.277 3.264 1.00 0.00 C ATOM 0 H VAL A 67 6.615 5.082 3.524 1.00 0.00 H new ATOM 0 HA VAL A 67 4.536 3.730 5.109 1.00 0.00 H new ATOM 0 HB VAL A 67 4.526 4.133 2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.357 2.959 2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.691 1.927 2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.576 2.668 3.898 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.431 5.377 2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.650 5.205 4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.818 6.149 3.269 1.00 0.00 H new ATOM 940 N SER A 68 5.655 1.532 4.579 1.00 0.00 N ATOM 941 CA SER A 68 6.372 0.303 4.303 1.00 0.00 C ATOM 942 C SER A 68 5.625 -0.557 3.305 1.00 0.00 C ATOM 943 O SER A 68 4.438 -0.850 3.474 1.00 0.00 O ATOM 944 CB SER A 68 6.602 -0.515 5.561 1.00 0.00 C ATOM 945 OG SER A 68 7.419 0.171 6.494 1.00 0.00 O ATOM 0 H SER A 68 4.996 1.483 5.356 1.00 0.00 H new ATOM 0 HA SER A 68 7.335 0.601 3.888 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.643 -0.750 6.022 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.070 -1.464 5.297 1.00 0.00 H new ATOM 0 HG SER A 68 8.198 0.546 6.033 1.00 0.00 H new ATOM 951 N LEU A 69 6.335 -0.949 2.268 1.00 0.00 N ATOM 952 CA LEU A 69 5.811 -1.844 1.262 1.00 0.00 C ATOM 953 C LEU A 69 6.498 -3.206 1.342 1.00 0.00 C ATOM 954 O LEU A 69 7.678 -3.321 1.011 1.00 0.00 O ATOM 955 CB LEU A 69 6.049 -1.248 -0.119 1.00 0.00 C ATOM 956 CG LEU A 69 5.176 -0.048 -0.521 1.00 0.00 C ATOM 957 CD1 LEU A 69 3.700 -0.416 -0.491 1.00 0.00 C ATOM 958 CD2 LEU A 69 5.438 1.165 0.356 1.00 0.00 C ATOM 0 H LEU A 69 7.297 -0.653 2.100 1.00 0.00 H new ATOM 0 HA LEU A 69 4.743 -1.975 1.436 1.00 0.00 H new ATOM 0 HB2 LEU A 69 7.094 -0.943 -0.181 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.903 -2.036 -0.858 1.00 0.00 H new ATOM 0 HG LEU A 69 5.449 0.219 -1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.103 0.449 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.514 -1.233 -1.188 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.423 -0.728 0.516 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.800 1.989 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 69 5.219 0.917 1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.484 1.460 0.266 1.00 0.00 H new ATOM 970 N THR A 70 5.784 -4.219 1.829 1.00 0.00 N ATOM 971 CA THR A 70 6.320 -5.580 1.886 1.00 0.00 C ATOM 972 C THR A 70 5.203 -6.636 1.821 1.00 0.00 C ATOM 973 O THR A 70 4.196 -6.516 2.516 1.00 0.00 O ATOM 974 CB THR A 70 7.154 -5.781 3.166 1.00 0.00 C ATOM 975 OG1 THR A 70 8.252 -4.857 3.179 1.00 0.00 O ATOM 976 CG2 THR A 70 7.683 -7.196 3.237 1.00 0.00 C ATOM 0 H THR A 70 4.834 -4.125 2.190 1.00 0.00 H new ATOM 0 HA THR A 70 6.961 -5.711 1.014 1.00 0.00 H new ATOM 0 HB THR A 70 6.514 -5.601 4.030 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.190 -4.264 2.401 1.00 0.00 H new ATOM 0 HG21 THR A 70 8.270 -7.320 4.147 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.848 -7.897 3.245 1.00 0.00 H new ATOM 0 HG23 THR A 70 8.313 -7.393 2.370 1.00 0.00 H new ATOM 984 N GLY A 71 5.384 -7.677 1.003 1.00 0.00 N ATOM 985 CA GLY A 71 4.357 -8.704 0.881 1.00 0.00 C ATOM 986 C GLY A 71 4.723 -9.788 -0.117 1.00 0.00 C ATOM 987 O GLY A 71 5.894 -10.125 -0.269 1.00 0.00 O ATOM 0 H GLY A 71 6.214 -7.826 0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 71 4.186 -9.158 1.857 1.00 0.00 H new ATOM 0 HA3 GLY A 71 3.419 -8.239 0.577 1.00 0.00 H new ATOM 991 N ALA A 72 3.722 -10.341 -0.789 1.00 0.00 N ATOM 992 CA ALA A 72 3.949 -11.356 -1.815 1.00 0.00 C ATOM 993 C ALA A 72 4.384 -10.691 -3.120 1.00 0.00 C ATOM 994 O ALA A 72 4.149 -9.503 -3.299 1.00 0.00 O ATOM 995 CB ALA A 72 2.689 -12.187 -2.022 1.00 0.00 C ATOM 0 H ALA A 72 2.741 -10.104 -0.643 1.00 0.00 H new ATOM 0 HA ALA A 72 4.746 -12.023 -1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 72 2.871 -12.940 -2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.420 -12.679 -1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.873 -11.538 -2.338 1.00 0.00 H new ATOM 1001 N PRO A 73 5.021 -11.440 -4.045 1.00 0.00 N ATOM 1002 CA PRO A 73 5.590 -10.876 -5.283 1.00 0.00 C ATOM 1003 C PRO A 73 4.667 -9.893 -6.008 1.00 0.00 C ATOM 1004 O PRO A 73 5.042 -8.747 -6.250 1.00 0.00 O ATOM 1005 CB PRO A 73 5.840 -12.113 -6.140 1.00 0.00 C ATOM 1006 CG PRO A 73 6.127 -13.186 -5.153 1.00 0.00 C ATOM 1007 CD PRO A 73 5.249 -12.899 -3.964 1.00 0.00 C ATOM 0 HA PRO A 73 6.479 -10.282 -5.072 1.00 0.00 H new ATOM 0 HB2 PRO A 73 4.971 -12.356 -6.752 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.678 -11.963 -6.821 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.910 -14.169 -5.571 1.00 0.00 H new ATOM 0 HG3 PRO A 73 7.180 -13.185 -4.870 1.00 0.00 H new ATOM 0 HD2 PRO A 73 4.313 -13.455 -4.014 1.00 0.00 H new ATOM 0 HD3 PRO A 73 5.736 -13.178 -3.029 1.00 0.00 H new ATOM 1015 N GLU A 74 3.464 -10.330 -6.351 1.00 0.00 N ATOM 1016 CA GLU A 74 2.535 -9.466 -7.064 1.00 0.00 C ATOM 1017 C GLU A 74 1.765 -8.574 -6.094 1.00 0.00 C ATOM 1018 O GLU A 74 1.409 -7.442 -6.427 1.00 0.00 O ATOM 1019 CB GLU A 74 1.570 -10.287 -7.917 1.00 0.00 C ATOM 1020 CG GLU A 74 0.700 -9.429 -8.815 1.00 0.00 C ATOM 1021 CD GLU A 74 -0.034 -10.229 -9.863 1.00 0.00 C ATOM 1022 OE1 GLU A 74 0.598 -10.613 -10.869 1.00 0.00 O ATOM 1023 OE2 GLU A 74 -1.252 -10.454 -9.703 1.00 0.00 O ATOM 0 H GLU A 74 3.111 -11.266 -6.150 1.00 0.00 H new ATOM 0 HA GLU A 74 3.117 -8.826 -7.727 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.139 -10.985 -8.531 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.933 -10.883 -7.264 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -0.024 -8.891 -8.203 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.322 -8.680 -9.306 1.00 0.00 H new ATOM 1030 N SER A 75 1.533 -9.076 -4.891 1.00 0.00 N ATOM 1031 CA SER A 75 0.820 -8.321 -3.872 1.00 0.00 C ATOM 1032 C SER A 75 1.586 -7.057 -3.504 1.00 0.00 C ATOM 1033 O SER A 75 1.006 -5.975 -3.383 1.00 0.00 O ATOM 1034 CB SER A 75 0.622 -9.197 -2.640 1.00 0.00 C ATOM 1035 OG SER A 75 0.113 -10.468 -3.010 1.00 0.00 O ATOM 0 H SER A 75 1.829 -10.006 -4.596 1.00 0.00 H new ATOM 0 HA SER A 75 -0.152 -8.024 -4.265 1.00 0.00 H new ATOM 0 HB2 SER A 75 1.570 -9.317 -2.116 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.066 -8.711 -1.948 1.00 0.00 H new ATOM 0 HG SER A 75 -0.830 -10.531 -2.750 1.00 0.00 H new ATOM 1041 N VAL A 76 2.897 -7.197 -3.350 1.00 0.00 N ATOM 1042 CA VAL A 76 3.754 -6.077 -3.008 1.00 0.00 C ATOM 1043 C VAL A 76 3.789 -5.079 -4.164 1.00 0.00 C ATOM 1044 O VAL A 76 3.963 -3.879 -3.962 1.00 0.00 O ATOM 1045 CB VAL A 76 5.188 -6.549 -2.651 1.00 0.00 C ATOM 1046 CG1 VAL A 76 5.994 -6.910 -3.890 1.00 0.00 C ATOM 1047 CG2 VAL A 76 5.914 -5.503 -1.830 1.00 0.00 C ATOM 0 H VAL A 76 3.389 -8.084 -3.458 1.00 0.00 H new ATOM 0 HA VAL A 76 3.341 -5.588 -2.126 1.00 0.00 H new ATOM 0 HB VAL A 76 5.087 -7.453 -2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.991 -7.235 -3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.494 -7.716 -4.427 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.075 -6.038 -4.539 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.917 -5.858 -1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 76 5.983 -4.576 -2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 76 5.366 -5.321 -0.906 1.00 0.00 H new ATOM 1057 N GLN A 77 3.584 -5.584 -5.377 1.00 0.00 N ATOM 1058 CA GLN A 77 3.566 -4.742 -6.559 1.00 0.00 C ATOM 1059 C GLN A 77 2.281 -3.929 -6.603 1.00 0.00 C ATOM 1060 O GLN A 77 2.319 -2.717 -6.764 1.00 0.00 O ATOM 1061 CB GLN A 77 3.699 -5.581 -7.830 1.00 0.00 C ATOM 1062 CG GLN A 77 3.874 -4.742 -9.083 1.00 0.00 C ATOM 1063 CD GLN A 77 5.139 -3.910 -9.041 1.00 0.00 C ATOM 1064 OE1 GLN A 77 5.139 -2.775 -8.559 1.00 0.00 O ATOM 1065 NE2 GLN A 77 6.227 -4.472 -9.535 1.00 0.00 N ATOM 0 H GLN A 77 3.428 -6.575 -5.563 1.00 0.00 H new ATOM 0 HA GLN A 77 4.417 -4.063 -6.507 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.552 -6.252 -7.727 1.00 0.00 H new ATOM 0 HB3 GLN A 77 2.813 -6.206 -7.940 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.899 -5.395 -9.955 1.00 0.00 H new ATOM 0 HG3 GLN A 77 3.012 -4.085 -9.202 1.00 0.00 H new ATOM 0 HE21 GLN A 77 6.183 -5.414 -9.924 1.00 0.00 H new ATOM 0 HE22 GLN A 77 7.112 -3.964 -9.527 1.00 0.00 H new ATOM 1074 N LYS A 78 1.148 -4.610 -6.439 1.00 0.00 N ATOM 1075 CA LYS A 78 -0.161 -3.958 -6.432 1.00 0.00 C ATOM 1076 C LYS A 78 -0.194 -2.831 -5.400 1.00 0.00 C ATOM 1077 O LYS A 78 -0.691 -1.726 -5.670 1.00 0.00 O ATOM 1078 CB LYS A 78 -1.251 -4.993 -6.121 1.00 0.00 C ATOM 1079 CG LYS A 78 -2.664 -4.430 -6.013 1.00 0.00 C ATOM 1080 CD LYS A 78 -3.358 -4.304 -7.366 1.00 0.00 C ATOM 1081 CE LYS A 78 -2.870 -3.106 -8.170 1.00 0.00 C ATOM 1082 NZ LYS A 78 -2.989 -1.834 -7.410 1.00 0.00 N ATOM 0 H LYS A 78 1.111 -5.621 -6.308 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.345 -3.527 -7.416 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.239 -5.756 -6.899 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.002 -5.490 -5.184 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.258 -5.074 -5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.624 -3.450 -5.538 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.191 -5.215 -7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -4.434 -4.218 -7.211 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.829 -3.261 -8.455 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.445 -3.031 -9.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -3.011 -1.034 -8.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.866 -1.844 -6.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.173 -1.733 -6.773 1.00 0.00 H new ATOM 1096 N ALA A 79 0.350 -3.127 -4.227 1.00 0.00 N ATOM 1097 CA ALA A 79 0.480 -2.153 -3.158 1.00 0.00 C ATOM 1098 C ALA A 79 1.270 -0.939 -3.633 1.00 0.00 C ATOM 1099 O ALA A 79 0.795 0.196 -3.563 1.00 0.00 O ATOM 1100 CB ALA A 79 1.172 -2.795 -1.970 1.00 0.00 C ATOM 0 H ALA A 79 0.713 -4.051 -3.992 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.514 -1.819 -2.860 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.270 -2.064 -1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 79 0.582 -3.642 -1.620 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.162 -3.141 -2.269 1.00 0.00 H new ATOM 1106 N LYS A 80 2.467 -1.194 -4.149 1.00 0.00 N ATOM 1107 CA LYS A 80 3.355 -0.130 -4.600 1.00 0.00 C ATOM 1108 C LYS A 80 2.788 0.609 -5.805 1.00 0.00 C ATOM 1109 O LYS A 80 3.198 1.721 -6.084 1.00 0.00 O ATOM 1110 CB LYS A 80 4.745 -0.671 -4.929 1.00 0.00 C ATOM 1111 CG LYS A 80 5.466 -1.256 -3.727 1.00 0.00 C ATOM 1112 CD LYS A 80 6.929 -1.585 -4.018 1.00 0.00 C ATOM 1113 CE LYS A 80 7.098 -2.613 -5.135 1.00 0.00 C ATOM 1114 NZ LYS A 80 6.959 -2.008 -6.489 1.00 0.00 N ATOM 0 H LYS A 80 2.846 -2.134 -4.266 1.00 0.00 H new ATOM 0 HA LYS A 80 3.440 0.578 -3.776 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.655 -1.438 -5.698 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.349 0.133 -5.350 1.00 0.00 H new ATOM 0 HG2 LYS A 80 5.415 -0.549 -2.899 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.951 -2.162 -3.405 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.454 -0.670 -4.291 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.398 -1.963 -3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.078 -3.082 -5.048 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.356 -3.402 -5.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.109 -2.387 -6.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.873 -0.975 -6.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.797 -2.238 -7.060 1.00 0.00 H new ATOM 1128 N MET A 81 1.872 -0.017 -6.533 1.00 0.00 N ATOM 1129 CA MET A 81 1.243 0.634 -7.680 1.00 0.00 C ATOM 1130 C MET A 81 0.358 1.790 -7.229 1.00 0.00 C ATOM 1131 O MET A 81 0.385 2.866 -7.825 1.00 0.00 O ATOM 1132 CB MET A 81 0.430 -0.365 -8.509 1.00 0.00 C ATOM 1133 CG MET A 81 1.284 -1.358 -9.284 1.00 0.00 C ATOM 1134 SD MET A 81 2.417 -0.552 -10.436 1.00 0.00 S ATOM 1135 CE MET A 81 1.261 0.270 -11.532 1.00 0.00 C ATOM 0 H MET A 81 1.548 -0.968 -6.353 1.00 0.00 H new ATOM 0 HA MET A 81 2.039 1.030 -8.311 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.238 -0.914 -7.846 1.00 0.00 H new ATOM 0 HB3 MET A 81 -0.198 0.185 -9.210 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.856 -1.964 -8.582 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.634 -2.037 -9.835 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.614 0.190 -12.560 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.282 -0.201 -11.447 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.183 1.322 -11.256 1.00 0.00 H new ATOM 1145 N MET A 82 -0.422 1.578 -6.169 1.00 0.00 N ATOM 1146 CA MET A 82 -1.229 2.667 -5.608 1.00 0.00 C ATOM 1147 C MET A 82 -0.329 3.739 -5.003 1.00 0.00 C ATOM 1148 O MET A 82 -0.630 4.928 -5.066 1.00 0.00 O ATOM 1149 CB MET A 82 -2.214 2.158 -4.550 1.00 0.00 C ATOM 1150 CG MET A 82 -3.428 1.443 -5.126 1.00 0.00 C ATOM 1151 SD MET A 82 -4.333 2.442 -6.327 1.00 0.00 S ATOM 1152 CE MET A 82 -4.918 3.780 -5.289 1.00 0.00 C ATOM 0 H MET A 82 -0.514 0.683 -5.688 1.00 0.00 H new ATOM 0 HA MET A 82 -1.806 3.098 -6.426 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.690 1.478 -3.878 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.554 3.002 -3.949 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.105 0.517 -5.602 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.099 1.166 -4.313 1.00 0.00 H new ATOM 0 HE1 MET A 82 -5.651 4.372 -5.837 1.00 0.00 H new ATOM 0 HE2 MET A 82 -5.381 3.369 -4.392 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.078 4.414 -5.005 1.00 0.00 H new ATOM 1162 N LEU A 83 0.783 3.301 -4.436 1.00 0.00 N ATOM 1163 CA LEU A 83 1.756 4.209 -3.836 1.00 0.00 C ATOM 1164 C LEU A 83 2.415 5.056 -4.914 1.00 0.00 C ATOM 1165 O LEU A 83 2.480 6.274 -4.802 1.00 0.00 O ATOM 1166 CB LEU A 83 2.823 3.424 -3.060 1.00 0.00 C ATOM 1167 CG LEU A 83 2.536 3.184 -1.570 1.00 0.00 C ATOM 1168 CD1 LEU A 83 2.499 4.506 -0.817 1.00 0.00 C ATOM 1169 CD2 LEU A 83 1.229 2.426 -1.376 1.00 0.00 C ATOM 0 H LEU A 83 1.039 2.315 -4.377 1.00 0.00 H new ATOM 0 HA LEU A 83 1.232 4.863 -3.139 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.956 2.456 -3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.770 3.956 -3.145 1.00 0.00 H new ATOM 0 HG LEU A 83 3.343 2.572 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 83 2.295 4.319 0.237 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.461 5.008 -0.916 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.715 5.139 -1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.053 2.271 -0.312 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.407 3.003 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.290 1.460 -1.878 1.00 0.00 H new ATOM 1181 N ASP A 84 2.873 4.386 -5.959 1.00 0.00 N ATOM 1182 CA ASP A 84 3.496 5.026 -7.112 1.00 0.00 C ATOM 1183 C ASP A 84 2.614 6.141 -7.646 1.00 0.00 C ATOM 1184 O ASP A 84 3.081 7.242 -7.923 1.00 0.00 O ATOM 1185 CB ASP A 84 3.731 3.976 -8.209 1.00 0.00 C ATOM 1186 CG ASP A 84 4.194 4.570 -9.525 1.00 0.00 C ATOM 1187 OD1 ASP A 84 5.418 4.692 -9.727 1.00 0.00 O ATOM 1188 OD2 ASP A 84 3.336 4.889 -10.375 1.00 0.00 O ATOM 0 H ASP A 84 2.823 3.370 -6.034 1.00 0.00 H new ATOM 0 HA ASP A 84 4.449 5.458 -6.806 1.00 0.00 H new ATOM 0 HB2 ASP A 84 4.475 3.259 -7.861 1.00 0.00 H new ATOM 0 HB3 ASP A 84 2.807 3.422 -8.375 1.00 0.00 H new ATOM 1193 N ASP A 85 1.330 5.846 -7.748 1.00 0.00 N ATOM 1194 CA ASP A 85 0.359 6.789 -8.276 1.00 0.00 C ATOM 1195 C ASP A 85 0.235 8.030 -7.388 1.00 0.00 C ATOM 1196 O ASP A 85 0.524 9.149 -7.820 1.00 0.00 O ATOM 1197 CB ASP A 85 -0.999 6.099 -8.405 1.00 0.00 C ATOM 1198 CG ASP A 85 -2.056 6.999 -9.025 1.00 0.00 C ATOM 1199 OD1 ASP A 85 -2.538 7.928 -8.348 1.00 0.00 O ATOM 1200 OD2 ASP A 85 -2.415 6.775 -10.203 1.00 0.00 O ATOM 0 H ASP A 85 0.932 4.950 -7.468 1.00 0.00 H new ATOM 0 HA ASP A 85 0.702 7.120 -9.256 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -0.890 5.201 -9.013 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -1.334 5.777 -7.419 1.00 0.00 H new ATOM 1205 N ILE A 86 -0.169 7.826 -6.138 1.00 0.00 N ATOM 1206 CA ILE A 86 -0.436 8.937 -5.227 1.00 0.00 C ATOM 1207 C ILE A 86 0.847 9.698 -4.889 1.00 0.00 C ATOM 1208 O ILE A 86 0.865 10.932 -4.854 1.00 0.00 O ATOM 1209 CB ILE A 86 -1.144 8.460 -3.926 1.00 0.00 C ATOM 1210 CG1 ILE A 86 -2.635 8.197 -4.180 1.00 0.00 C ATOM 1211 CG2 ILE A 86 -0.981 9.473 -2.802 1.00 0.00 C ATOM 1212 CD1 ILE A 86 -2.911 7.024 -5.090 1.00 0.00 C ATOM 0 H ILE A 86 -0.319 6.903 -5.732 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.113 9.617 -5.745 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.668 7.528 -3.620 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.130 8.025 -3.224 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -3.081 9.092 -4.614 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.487 9.109 -1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.079 9.612 -2.588 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.418 10.425 -3.104 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.987 6.907 -5.217 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.448 7.200 -6.061 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.497 6.117 -4.650 1.00 0.00 H new ATOM 1224 N VAL A 87 1.932 8.976 -4.681 1.00 0.00 N ATOM 1225 CA VAL A 87 3.192 9.615 -4.359 1.00 0.00 C ATOM 1226 C VAL A 87 3.713 10.405 -5.558 1.00 0.00 C ATOM 1227 O VAL A 87 4.419 11.388 -5.389 1.00 0.00 O ATOM 1228 CB VAL A 87 4.249 8.602 -3.878 1.00 0.00 C ATOM 1229 CG1 VAL A 87 5.605 9.273 -3.680 1.00 0.00 C ATOM 1230 CG2 VAL A 87 3.798 7.947 -2.582 1.00 0.00 C ATOM 0 H VAL A 87 1.966 7.958 -4.729 1.00 0.00 H new ATOM 0 HA VAL A 87 3.005 10.304 -3.535 1.00 0.00 H new ATOM 0 HB VAL A 87 4.357 7.837 -4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.331 8.534 -3.340 1.00 0.00 H new ATOM 0 HG12 VAL A 87 5.940 9.703 -4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.515 10.062 -2.934 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.553 7.234 -2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.662 8.711 -1.816 1.00 0.00 H new ATOM 0 HG23 VAL A 87 2.855 7.426 -2.747 1.00 0.00 H new ATOM 1240 N SER A 88 3.340 9.996 -6.762 1.00 0.00 N ATOM 1241 CA SER A 88 3.706 10.750 -7.957 1.00 0.00 C ATOM 1242 C SER A 88 2.889 12.038 -8.040 1.00 0.00 C ATOM 1243 O SER A 88 3.324 13.023 -8.635 1.00 0.00 O ATOM 1244 CB SER A 88 3.504 9.904 -9.222 1.00 0.00 C ATOM 1245 OG SER A 88 3.896 10.608 -10.393 1.00 0.00 O ATOM 0 H SER A 88 2.790 9.156 -6.939 1.00 0.00 H new ATOM 0 HA SER A 88 4.763 11.009 -7.888 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.082 8.983 -9.140 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.456 9.616 -9.304 1.00 0.00 H new ATOM 0 HG SER A 88 3.756 10.040 -11.179 1.00 0.00 H new ATOM 1251 N ARG A 89 1.703 12.026 -7.434 1.00 0.00 N ATOM 1252 CA ARG A 89 0.860 13.220 -7.380 1.00 0.00 C ATOM 1253 C ARG A 89 1.566 14.311 -6.583 1.00 0.00 C ATOM 1254 O ARG A 89 1.545 15.486 -6.952 1.00 0.00 O ATOM 1255 CB ARG A 89 -0.498 12.922 -6.726 1.00 0.00 C ATOM 1256 CG ARG A 89 -1.207 11.695 -7.274 1.00 0.00 C ATOM 1257 CD ARG A 89 -1.565 11.847 -8.742 1.00 0.00 C ATOM 1258 NE ARG A 89 -2.161 10.629 -9.288 1.00 0.00 N ATOM 1259 CZ ARG A 89 -2.812 10.572 -10.446 1.00 0.00 C ATOM 1260 NH1 ARG A 89 -2.982 11.668 -11.172 1.00 0.00 N ATOM 1261 NH2 ARG A 89 -3.288 9.416 -10.884 1.00 0.00 N ATOM 0 H ARG A 89 1.305 11.207 -6.975 1.00 0.00 H new ATOM 0 HA ARG A 89 0.685 13.551 -8.404 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.350 12.791 -5.654 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.147 13.788 -6.855 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.568 10.821 -7.146 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.114 11.514 -6.697 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -2.262 12.677 -8.861 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.669 12.099 -9.310 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.072 9.769 -8.747 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.613 12.560 -10.843 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.482 11.619 -12.060 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -3.155 8.568 -10.333 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.787 9.374 -11.772 1.00 0.00 H new ATOM 1275 N GLY A 90 2.185 13.909 -5.480 1.00 0.00 N ATOM 1276 CA GLY A 90 2.914 14.853 -4.649 1.00 0.00 C ATOM 1277 C GLY A 90 4.352 15.035 -5.093 1.00 0.00 C ATOM 1278 O GLY A 90 4.773 16.138 -5.440 1.00 0.00 O ATOM 0 H GLY A 90 2.196 12.946 -5.144 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.407 15.817 -4.671 1.00 0.00 H new ATOM 0 HA3 GLY A 90 2.898 14.508 -3.615 1.00 0.00 H new ATOM 1282 N ARG A 91 5.100 13.945 -5.093 1.00 0.00 N ATOM 1283 CA ARG A 91 6.503 13.957 -5.480 1.00 0.00 C ATOM 1284 C ARG A 91 6.643 13.747 -6.982 1.00 0.00 C ATOM 1285 O ARG A 91 7.294 12.806 -7.438 1.00 0.00 O ATOM 1286 CB ARG A 91 7.273 12.872 -4.716 1.00 0.00 C ATOM 1287 CG ARG A 91 7.450 13.172 -3.236 1.00 0.00 C ATOM 1288 CD ARG A 91 8.292 14.417 -3.017 1.00 0.00 C ATOM 1289 NE ARG A 91 8.437 14.744 -1.604 1.00 0.00 N ATOM 1290 CZ ARG A 91 8.698 15.965 -1.150 1.00 0.00 C ATOM 1291 NH1 ARG A 91 8.815 16.988 -1.992 1.00 0.00 N ATOM 1292 NH2 ARG A 91 8.835 16.166 0.147 1.00 0.00 N ATOM 0 H ARG A 91 4.752 13.024 -4.824 1.00 0.00 H new ATOM 0 HA ARG A 91 6.925 14.930 -5.227 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.748 11.923 -4.825 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.255 12.747 -5.172 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.473 13.306 -2.772 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.922 12.321 -2.745 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.278 14.268 -3.456 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.835 15.259 -3.538 1.00 0.00 H new ATOM 0 HE ARG A 91 8.332 13.991 -0.924 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.704 16.838 -2.995 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.015 17.922 -1.635 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.741 15.385 0.797 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.035 17.102 0.500 1.00 0.00 H new ATOM 1306 N GLY A 92 6.017 14.627 -7.742 1.00 0.00 N ATOM 1307 CA GLY A 92 6.080 14.552 -9.181 1.00 0.00 C ATOM 1308 C GLY A 92 5.195 15.588 -9.832 1.00 0.00 C ATOM 1309 O GLY A 92 5.301 16.779 -9.525 1.00 0.00 O ATOM 0 H GLY A 92 5.460 15.401 -7.381 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.110 14.695 -9.508 1.00 0.00 H new ATOM 0 HA3 GLY A 92 5.777 13.557 -9.507 1.00 0.00 H new ATOM 1313 N GLY A 93 4.318 15.142 -10.716 1.00 0.00 N ATOM 1314 CA GLY A 93 3.409 16.044 -11.381 1.00 0.00 C ATOM 1315 C GLY A 93 2.153 15.339 -11.836 1.00 0.00 C ATOM 1316 O GLY A 93 2.230 14.138 -12.178 1.00 0.00 O ATOM 1317 OXT GLY A 93 1.079 15.975 -11.842 1.00 0.00 O ATOM 0 H GLY A 93 4.221 14.163 -10.985 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.145 16.858 -10.705 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.906 16.493 -12.241 1.00 0.00 H new TER 1321 GLY A 93