USER MOD reduce.3.24.130724 H: found=0, std=0, add=1030, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1031 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 43 LYS NZ :NH3+ -133:sc= 0.647 (180deg=0.0416) USER MOD Set 1.2: A 44 CYS SG : rot 161:sc= 0.503 USER MOD Set 2.1: A 15 TYR OH : rot 165:sc= -0.238 USER MOD Set 2.2: B 44 MET CE :methyl -156:sc= -0.116 (180deg=-1.59) USER MOD Set 3.1: A 12 MET CE :methyl 165:sc= -3.16! (180deg=-4.34) USER MOD Set 3.2: A 20 GLN : amide:sc= -1.14 K(o=-4.3,f=-3.1) USER MOD Single : A 1 GLY N :NH3+ 150:sc= 1.17 (180deg=1.08) USER MOD Single : A 2 LYS NZ :NH3+ 153:sc= -0.137 (180deg=-0.737) USER MOD Single : A 6 LYS NZ :NH3+ 169:sc=-0.00692 (180deg=-0.113) USER MOD Single : A 7 LYS NZ :NH3+ -172:sc= -0.0304 (180deg=-0.139) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 1.27 (180deg=1.27) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 101:sc= 0.326 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 CYS SG : rot 88:sc= 1.23 USER MOD Single : A 26 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD Single : A 27 LYS NZ :NH3+ -132:sc= 3.12 (180deg=0.465) USER MOD Single : A 28 LYS NZ :NH3+ -138:sc= 1.23 (180deg=-0.0309) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.125 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot -62:sc= 0.574 USER MOD Single : A 41 SER OG : rot 81:sc= 0.225 USER MOD Single : A 42 LYS NZ :NH3+ 178:sc= 1.23 (180deg=1.12) USER MOD Single : A 45 SER OG : rot -63:sc= 1.12 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -93:sc= 1.2 USER MOD Single : A 51 MET CE :methyl -139:sc= -1.25 (180deg=-3.57!) USER MOD Single : A 52 SER OG : rot -80:sc= 0.69 USER MOD Single : A 54 LYS NZ :NH3+ -114:sc=-0.00565 (180deg=-0.79) USER MOD Single : A 56 LYS NZ :NH3+ 176:sc= 1.14 (180deg=1.14) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 MET CE :methyl 171:sc= -1.78 (180deg=-1.92) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -88:sc= 1.43 USER MOD Single : A 74 MET CE :methyl -159:sc= -2.74 (180deg=-3.87!) USER MOD Single : A 75 LYS NZ :NH3+ 163:sc= -1.84! (180deg=-2.89!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 77 TYR OH : rot 70:sc= 0.0356 USER MOD Single : A 81 LYS NZ :NH3+ 170:sc= -0.014 (180deg=-0.161) USER MOD Single : B 15 SER OG : rot 180:sc= 0.0178 USER MOD Single : B 16 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 20 SER OG : rot -85:sc= 0.179 USER MOD Single : B 24 LYS NZ :NH3+ 150:sc= 1.25 (180deg=1.15) USER MOD Single : B 29 ASN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : B 30 ASN : amide:sc= -0.207 X(o=-0.21,f=0) USER MOD Single : B 33 SER OG : rot 180:sc= 0 USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 40 MET CE :methyl -175:sc= -0.816 (180deg=-0.944) USER MOD Single : B 46 SER OG : rot 40:sc= 0.0311 USER MOD Single : B 52 GLN : amide:sc= -0.0209 X(o=-0.021,f=0.021) USER MOD Single : B 55 THR OG1 : rot 180:sc= 0.0138 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.029 16.735 -11.680 1.00 0.00 N ATOM 2 CA GLY A 1 8.419 15.928 -12.859 1.00 0.00 C ATOM 3 C GLY A 1 7.953 14.492 -12.750 1.00 0.00 C ATOM 4 O GLY A 1 6.865 14.218 -12.239 1.00 0.00 O ATOM 0 H1 GLY A 1 8.732 17.485 -11.525 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.096 17.164 -11.846 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.985 16.123 -10.840 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.999 16.377 -13.759 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.503 15.949 -12.969 1.00 0.00 H new ATOM 10 N LYS A 2 8.777 13.573 -13.229 1.00 0.00 N ATOM 11 CA LYS A 2 8.450 12.154 -13.191 1.00 0.00 C ATOM 12 C LYS A 2 8.984 11.519 -11.914 1.00 0.00 C ATOM 13 O LYS A 2 8.236 11.273 -10.966 1.00 0.00 O ATOM 14 CB LYS A 2 9.038 11.435 -14.406 1.00 0.00 C ATOM 15 CG LYS A 2 8.432 11.847 -15.736 1.00 0.00 C ATOM 16 CD LYS A 2 6.992 11.380 -15.870 1.00 0.00 C ATOM 17 CE LYS A 2 6.526 11.430 -17.317 1.00 0.00 C ATOM 18 NZ LYS A 2 7.333 10.528 -18.181 1.00 0.00 N1+ ATOM 0 H LYS A 2 9.681 13.785 -13.651 1.00 0.00 H new ATOM 0 HA LYS A 2 7.365 12.056 -13.211 1.00 0.00 H new ATOM 0 HB2 LYS A 2 10.112 11.620 -14.437 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.903 10.361 -14.277 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.473 12.932 -15.833 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.026 11.432 -16.550 1.00 0.00 H new ATOM 0 HD2 LYS A 2 6.901 10.362 -15.492 1.00 0.00 H new ATOM 0 HD3 LYS A 2 6.346 12.007 -15.256 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.476 11.144 -17.372 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.598 12.452 -17.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.762 10.225 -18.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.177 11.034 -18.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.626 9.693 -17.634 1.00 0.00 H new ATOM 32 N GLY A 3 10.284 11.266 -11.894 1.00 0.00 N ATOM 33 CA GLY A 3 10.907 10.677 -10.732 1.00 0.00 C ATOM 34 C GLY A 3 11.928 11.605 -10.117 1.00 0.00 C ATOM 35 O GLY A 3 12.457 12.487 -10.796 1.00 0.00 O ATOM 0 H GLY A 3 10.920 11.460 -12.668 1.00 0.00 H new ATOM 0 HA2 GLY A 3 10.143 10.434 -9.993 1.00 0.00 H new ATOM 0 HA3 GLY A 3 11.388 9.740 -11.012 1.00 0.00 H new ATOM 39 N ASP A 4 12.199 11.422 -8.836 1.00 0.00 N ATOM 40 CA ASP A 4 13.154 12.263 -8.131 1.00 0.00 C ATOM 41 C ASP A 4 13.772 11.493 -6.969 1.00 0.00 C ATOM 42 O ASP A 4 13.058 10.877 -6.177 1.00 0.00 O ATOM 43 CB ASP A 4 12.470 13.535 -7.622 1.00 0.00 C ATOM 44 CG ASP A 4 13.429 14.459 -6.904 1.00 0.00 C ATOM 45 OD1 ASP A 4 14.116 15.250 -7.576 1.00 0.00 O ATOM 46 OD2 ASP A 4 13.491 14.403 -5.664 1.00 0.00 O1- ATOM 0 H ASP A 4 11.770 10.697 -8.261 1.00 0.00 H new ATOM 0 HA ASP A 4 13.946 12.549 -8.823 1.00 0.00 H new ATOM 0 HB2 ASP A 4 12.021 14.064 -8.463 1.00 0.00 H new ATOM 0 HB3 ASP A 4 11.659 13.263 -6.947 1.00 0.00 H new ATOM 51 N PRO A 5 15.109 11.507 -6.857 1.00 0.00 N ATOM 52 CA PRO A 5 15.830 10.755 -5.827 1.00 0.00 C ATOM 53 C PRO A 5 15.706 11.364 -4.437 1.00 0.00 C ATOM 54 O PRO A 5 16.183 10.795 -3.453 1.00 0.00 O ATOM 55 CB PRO A 5 17.292 10.783 -6.298 1.00 0.00 C ATOM 56 CG PRO A 5 17.274 11.388 -7.666 1.00 0.00 C ATOM 57 CD PRO A 5 16.034 12.231 -7.735 1.00 0.00 C ATOM 0 HA PRO A 5 15.422 9.750 -5.723 1.00 0.00 H new ATOM 0 HB2 PRO A 5 17.909 11.372 -5.619 1.00 0.00 H new ATOM 0 HB3 PRO A 5 17.713 9.778 -6.322 1.00 0.00 H new ATOM 0 HG2 PRO A 5 18.165 11.992 -7.836 1.00 0.00 H new ATOM 0 HG3 PRO A 5 17.262 10.614 -8.434 1.00 0.00 H new ATOM 0 HD2 PRO A 5 16.214 13.247 -7.385 1.00 0.00 H new ATOM 0 HD3 PRO A 5 15.651 12.308 -8.753 1.00 0.00 H new ATOM 65 N LYS A 6 15.048 12.500 -4.356 1.00 0.00 N ATOM 66 CA LYS A 6 14.866 13.184 -3.084 1.00 0.00 C ATOM 67 C LYS A 6 13.408 13.122 -2.669 1.00 0.00 C ATOM 68 O LYS A 6 12.972 13.789 -1.729 1.00 0.00 O ATOM 69 CB LYS A 6 15.352 14.636 -3.162 1.00 0.00 C ATOM 70 CG LYS A 6 16.848 14.773 -3.419 1.00 0.00 C ATOM 71 CD LYS A 6 17.207 14.592 -4.887 1.00 0.00 C ATOM 72 CE LYS A 6 16.629 15.697 -5.760 1.00 0.00 C ATOM 73 NZ LYS A 6 17.210 17.033 -5.448 1.00 0.00 N1+ ATOM 0 H LYS A 6 14.627 12.974 -5.155 1.00 0.00 H new ATOM 0 HA LYS A 6 15.468 12.678 -2.329 1.00 0.00 H new ATOM 0 HB2 LYS A 6 14.808 15.149 -3.956 1.00 0.00 H new ATOM 0 HB3 LYS A 6 15.106 15.142 -2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 6 17.182 15.755 -3.085 1.00 0.00 H new ATOM 0 HG3 LYS A 6 17.385 14.034 -2.823 1.00 0.00 H new ATOM 0 HD2 LYS A 6 18.292 14.576 -4.995 1.00 0.00 H new ATOM 0 HD3 LYS A 6 16.838 13.627 -5.233 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.812 15.461 -6.808 1.00 0.00 H new ATOM 0 HE3 LYS A 6 15.548 15.734 -5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 16.929 17.714 -6.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 16.860 17.357 -4.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.247 16.962 -5.420 1.00 0.00 H new ATOM 87 N LYS A 7 12.673 12.296 -3.382 1.00 0.00 N ATOM 88 CA LYS A 7 11.286 12.017 -3.063 1.00 0.00 C ATOM 89 C LYS A 7 11.218 10.771 -2.192 1.00 0.00 C ATOM 90 O LYS A 7 11.576 9.676 -2.636 1.00 0.00 O ATOM 91 CB LYS A 7 10.473 11.798 -4.343 1.00 0.00 C ATOM 92 CG LYS A 7 9.330 12.780 -4.553 1.00 0.00 C ATOM 93 CD LYS A 7 8.259 12.653 -3.477 1.00 0.00 C ATOM 94 CE LYS A 7 7.678 11.245 -3.416 1.00 0.00 C ATOM 95 NZ LYS A 7 7.131 10.798 -4.727 1.00 0.00 N1+ ATOM 0 H LYS A 7 13.019 11.797 -4.201 1.00 0.00 H new ATOM 0 HA LYS A 7 10.864 12.868 -2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.146 11.859 -5.198 1.00 0.00 H new ATOM 0 HB3 LYS A 7 10.066 10.787 -4.329 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.722 13.797 -4.555 1.00 0.00 H new ATOM 0 HG3 LYS A 7 8.882 12.610 -5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.686 12.912 -2.508 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.460 13.367 -3.674 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.452 10.549 -3.093 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.888 11.213 -2.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.629 9.896 -4.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.471 11.515 -5.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.911 10.671 -5.403 1.00 0.00 H new ATOM 109 N PRO A 8 10.769 10.922 -0.943 1.00 0.00 N ATOM 110 CA PRO A 8 10.696 9.815 0.006 1.00 0.00 C ATOM 111 C PRO A 8 9.596 8.829 -0.363 1.00 0.00 C ATOM 112 O PRO A 8 8.757 9.116 -1.221 1.00 0.00 O ATOM 113 CB PRO A 8 10.390 10.486 1.351 1.00 0.00 C ATOM 114 CG PRO A 8 10.467 11.962 1.113 1.00 0.00 C ATOM 115 CD PRO A 8 10.287 12.179 -0.359 1.00 0.00 C ATOM 0 HA PRO A 8 11.619 9.235 0.022 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.401 10.202 1.711 1.00 0.00 H new ATOM 0 HB3 PRO A 8 11.107 10.177 2.111 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.694 12.484 1.677 1.00 0.00 H new ATOM 0 HG3 PRO A 8 11.427 12.357 1.446 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.244 12.368 -0.614 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.862 13.035 -0.713 1.00 0.00 H new ATOM 123 N ARG A 9 9.597 7.671 0.286 1.00 0.00 N ATOM 124 CA ARG A 9 8.602 6.643 0.009 1.00 0.00 C ATOM 125 C ARG A 9 7.224 7.114 0.460 1.00 0.00 C ATOM 126 O ARG A 9 6.196 6.690 -0.075 1.00 0.00 O ATOM 127 CB ARG A 9 8.993 5.333 0.698 1.00 0.00 C ATOM 128 CG ARG A 9 8.443 4.084 0.022 1.00 0.00 C ATOM 129 CD ARG A 9 9.157 2.834 0.515 1.00 0.00 C ATOM 130 NE ARG A 9 10.583 2.846 0.174 1.00 0.00 N ATOM 131 CZ ARG A 9 11.566 2.951 1.073 1.00 0.00 C ATOM 132 NH1 ARG A 9 11.281 3.130 2.355 1.00 0.00 N1+ ATOM 133 NH2 ARG A 9 12.836 2.901 0.683 1.00 0.00 N ATOM 0 H ARG A 9 10.274 7.421 1.006 1.00 0.00 H new ATOM 0 HA ARG A 9 8.563 6.461 -1.065 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.080 5.265 0.733 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.642 5.359 1.729 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.375 3.999 0.222 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.559 4.171 -1.058 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.043 2.754 1.596 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.687 1.952 0.079 1.00 0.00 H new ATOM 0 HE ARG A 9 10.840 2.769 -0.810 1.00 0.00 H new ATOM 0 HH11 ARG A 9 10.309 3.188 2.658 1.00 0.00 H new ATOM 0 HH12 ARG A 9 12.034 3.210 3.039 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.062 2.782 -0.305 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.584 2.981 1.371 1.00 0.00 H new ATOM 147 N GLY A 10 7.214 7.999 1.448 1.00 0.00 N ATOM 148 CA GLY A 10 5.991 8.675 1.818 1.00 0.00 C ATOM 149 C GLY A 10 5.526 8.365 3.222 1.00 0.00 C ATOM 150 O GLY A 10 6.313 8.350 4.163 1.00 0.00 O ATOM 0 H GLY A 10 8.032 8.259 1.999 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.138 9.751 1.723 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.206 8.397 1.115 1.00 0.00 H new ATOM 154 N LYS A 11 4.234 8.119 3.349 1.00 0.00 N ATOM 155 CA LYS A 11 3.597 7.920 4.640 1.00 0.00 C ATOM 156 C LYS A 11 2.740 6.666 4.611 1.00 0.00 C ATOM 157 O LYS A 11 1.762 6.556 5.351 1.00 0.00 O ATOM 158 CB LYS A 11 2.762 9.145 5.015 1.00 0.00 C ATOM 159 CG LYS A 11 1.809 9.607 3.925 1.00 0.00 C ATOM 160 CD LYS A 11 1.042 10.852 4.347 1.00 0.00 C ATOM 161 CE LYS A 11 1.982 11.981 4.751 1.00 0.00 C ATOM 162 NZ LYS A 11 1.256 13.242 5.051 1.00 0.00 N1+ ATOM 0 H LYS A 11 3.594 8.051 2.557 1.00 0.00 H new ATOM 0 HA LYS A 11 4.368 7.791 5.400 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.187 8.918 5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 11 3.434 9.966 5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.370 9.815 3.014 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.106 8.807 3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.406 11.184 3.526 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.384 10.609 5.182 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.555 11.677 5.627 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.698 12.159 3.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.938 13.979 5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.730 13.549 4.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.591 13.082 5.835 1.00 0.00 H new ATOM 176 N MET A 12 3.115 5.760 3.707 1.00 0.00 N ATOM 177 CA MET A 12 2.442 4.471 3.508 1.00 0.00 C ATOM 178 C MET A 12 1.853 3.909 4.800 1.00 0.00 C ATOM 179 O MET A 12 2.547 3.767 5.806 1.00 0.00 O ATOM 180 CB MET A 12 3.437 3.465 2.932 1.00 0.00 C ATOM 181 CG MET A 12 3.953 3.826 1.549 1.00 0.00 C ATOM 182 SD MET A 12 5.300 2.752 1.018 1.00 0.00 S ATOM 183 CE MET A 12 4.588 1.147 1.347 1.00 0.00 C ATOM 0 H MET A 12 3.908 5.901 3.081 1.00 0.00 H new ATOM 0 HA MET A 12 1.615 4.640 2.818 1.00 0.00 H new ATOM 0 HB2 MET A 12 4.284 3.377 3.613 1.00 0.00 H new ATOM 0 HB3 MET A 12 2.962 2.485 2.887 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.136 3.762 0.831 1.00 0.00 H new ATOM 0 HG3 MET A 12 4.296 4.861 1.550 1.00 0.00 H new ATOM 0 HE1 MET A 12 5.170 0.379 0.837 1.00 0.00 H new ATOM 0 HE2 MET A 12 4.599 0.957 2.420 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.560 1.124 0.985 1.00 0.00 H new ATOM 193 N SER A 13 0.568 3.580 4.751 1.00 0.00 N ATOM 194 CA SER A 13 -0.153 3.084 5.914 1.00 0.00 C ATOM 195 C SER A 13 0.363 1.709 6.343 1.00 0.00 C ATOM 196 O SER A 13 1.127 1.067 5.617 1.00 0.00 O ATOM 197 CB SER A 13 -1.642 3.009 5.584 1.00 0.00 C ATOM 198 OG SER A 13 -2.089 4.223 4.994 1.00 0.00 O ATOM 0 H SER A 13 -0.001 3.649 3.907 1.00 0.00 H new ATOM 0 HA SER A 13 0.008 3.771 6.745 1.00 0.00 H new ATOM 0 HB2 SER A 13 -1.827 2.178 4.903 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.211 2.809 6.492 1.00 0.00 H new ATOM 0 HG SER A 13 -3.045 4.154 4.788 1.00 0.00 H new ATOM 204 N SER A 14 -0.082 1.258 7.512 1.00 0.00 N ATOM 205 CA SER A 14 0.367 -0.005 8.091 1.00 0.00 C ATOM 206 C SER A 14 0.165 -1.171 7.128 1.00 0.00 C ATOM 207 O SER A 14 1.011 -2.062 7.028 1.00 0.00 O ATOM 208 CB SER A 14 -0.386 -0.268 9.396 1.00 0.00 C ATOM 209 OG SER A 14 -1.788 -0.133 9.222 1.00 0.00 O ATOM 0 H SER A 14 -0.763 1.757 8.084 1.00 0.00 H new ATOM 0 HA SER A 14 1.435 0.077 8.291 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.157 -1.272 9.754 1.00 0.00 H new ATOM 0 HB3 SER A 14 -0.044 0.429 10.162 1.00 0.00 H new ATOM 0 HG SER A 14 -2.195 -1.021 9.144 1.00 0.00 H new ATOM 215 N TYR A 15 -0.955 -1.148 6.417 1.00 0.00 N ATOM 216 CA TYR A 15 -1.277 -2.179 5.440 1.00 0.00 C ATOM 217 C TYR A 15 -0.171 -2.281 4.388 1.00 0.00 C ATOM 218 O TYR A 15 0.330 -3.368 4.097 1.00 0.00 O ATOM 219 CB TYR A 15 -2.621 -1.844 4.784 1.00 0.00 C ATOM 220 CG TYR A 15 -3.256 -2.979 4.008 1.00 0.00 C ATOM 221 CD1 TYR A 15 -2.720 -4.259 4.031 1.00 0.00 C ATOM 222 CD2 TYR A 15 -4.404 -2.763 3.258 1.00 0.00 C ATOM 223 CE1 TYR A 15 -3.308 -5.292 3.329 1.00 0.00 C ATOM 224 CE2 TYR A 15 -5.000 -3.789 2.554 1.00 0.00 C ATOM 225 CZ TYR A 15 -4.450 -5.051 2.591 1.00 0.00 C ATOM 226 OH TYR A 15 -5.042 -6.073 1.886 1.00 0.00 O ATOM 0 H TYR A 15 -1.662 -0.418 6.501 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.352 -3.145 5.940 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.316 -1.521 5.559 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.479 -0.999 4.111 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.827 -4.450 4.608 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.838 -1.775 3.225 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -2.878 -6.282 3.357 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.894 -3.603 1.977 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.947 -5.806 1.621 1.00 0.00 H new ATOM 236 N ALA A 16 0.234 -1.138 3.851 1.00 0.00 N ATOM 237 CA ALA A 16 1.262 -1.107 2.822 1.00 0.00 C ATOM 238 C ALA A 16 2.645 -1.316 3.428 1.00 0.00 C ATOM 239 O ALA A 16 3.542 -1.852 2.775 1.00 0.00 O ATOM 240 CB ALA A 16 1.214 0.202 2.046 1.00 0.00 C ATOM 0 H ALA A 16 -0.133 -0.223 4.111 1.00 0.00 H new ATOM 0 HA ALA A 16 1.065 -1.924 2.128 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.992 0.201 1.283 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.239 0.307 1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.377 1.036 2.729 1.00 0.00 H new ATOM 246 N PHE A 17 2.814 -0.898 4.674 1.00 0.00 N ATOM 247 CA PHE A 17 4.081 -1.064 5.370 1.00 0.00 C ATOM 248 C PHE A 17 4.362 -2.538 5.623 1.00 0.00 C ATOM 249 O PHE A 17 5.503 -2.994 5.517 1.00 0.00 O ATOM 250 CB PHE A 17 4.081 -0.289 6.685 1.00 0.00 C ATOM 251 CG PHE A 17 5.215 0.679 6.779 1.00 0.00 C ATOM 252 CD1 PHE A 17 5.265 1.769 5.931 1.00 0.00 C ATOM 253 CD2 PHE A 17 6.236 0.494 7.695 1.00 0.00 C ATOM 254 CE1 PHE A 17 6.308 2.662 5.992 1.00 0.00 C ATOM 255 CE2 PHE A 17 7.289 1.386 7.763 1.00 0.00 C ATOM 256 CZ PHE A 17 7.326 2.471 6.910 1.00 0.00 C ATOM 0 H PHE A 17 2.088 -0.440 5.225 1.00 0.00 H new ATOM 0 HA PHE A 17 4.872 -0.664 4.736 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.139 0.250 6.786 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.137 -0.991 7.517 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.474 1.921 5.211 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.209 -0.355 8.362 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.333 3.511 5.325 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.081 1.235 8.482 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.148 3.170 6.959 1.00 0.00 H new ATOM 266 N PHE A 18 3.308 -3.272 5.950 1.00 0.00 N ATOM 267 CA PHE A 18 3.380 -4.717 6.098 1.00 0.00 C ATOM 268 C PHE A 18 3.942 -5.352 4.830 1.00 0.00 C ATOM 269 O PHE A 18 4.849 -6.186 4.883 1.00 0.00 O ATOM 270 CB PHE A 18 1.981 -5.265 6.408 1.00 0.00 C ATOM 271 CG PHE A 18 1.839 -6.749 6.230 1.00 0.00 C ATOM 272 CD1 PHE A 18 2.325 -7.633 7.179 1.00 0.00 C ATOM 273 CD2 PHE A 18 1.205 -7.255 5.109 1.00 0.00 C ATOM 274 CE1 PHE A 18 2.182 -8.996 7.008 1.00 0.00 C ATOM 275 CE2 PHE A 18 1.062 -8.612 4.932 1.00 0.00 C ATOM 276 CZ PHE A 18 1.548 -9.485 5.881 1.00 0.00 C ATOM 0 H PHE A 18 2.381 -2.883 6.120 1.00 0.00 H new ATOM 0 HA PHE A 18 4.049 -4.965 6.922 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.724 -5.009 7.436 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.258 -4.764 5.765 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.820 -7.253 8.060 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.818 -6.576 4.364 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.565 -9.678 7.753 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.569 -8.993 4.050 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.434 -10.550 5.744 1.00 0.00 H new ATOM 286 N VAL A 19 3.409 -4.935 3.691 1.00 0.00 N ATOM 287 CA VAL A 19 3.864 -5.448 2.408 1.00 0.00 C ATOM 288 C VAL A 19 5.283 -4.980 2.121 1.00 0.00 C ATOM 289 O VAL A 19 6.106 -5.744 1.630 1.00 0.00 O ATOM 290 CB VAL A 19 2.946 -4.993 1.256 1.00 0.00 C ATOM 291 CG1 VAL A 19 3.101 -5.880 0.036 1.00 0.00 C ATOM 292 CG2 VAL A 19 1.508 -4.982 1.696 1.00 0.00 C ATOM 0 H VAL A 19 2.662 -4.243 3.629 1.00 0.00 H new ATOM 0 HA VAL A 19 3.836 -6.536 2.469 1.00 0.00 H new ATOM 0 HB VAL A 19 3.246 -3.981 0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.439 -5.529 -0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.133 -5.843 -0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.842 -6.906 0.297 1.00 0.00 H new ATOM 0 HG21 VAL A 19 0.877 -4.658 0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.214 -5.985 2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.389 -4.295 2.534 1.00 0.00 H new ATOM 302 N GLN A 20 5.562 -3.721 2.450 1.00 0.00 N ATOM 303 CA GLN A 20 6.866 -3.124 2.189 1.00 0.00 C ATOM 304 C GLN A 20 7.991 -3.921 2.835 1.00 0.00 C ATOM 305 O GLN A 20 8.908 -4.360 2.149 1.00 0.00 O ATOM 306 CB GLN A 20 6.922 -1.681 2.693 1.00 0.00 C ATOM 307 CG GLN A 20 8.286 -1.036 2.485 1.00 0.00 C ATOM 308 CD GLN A 20 8.436 0.295 3.181 1.00 0.00 C ATOM 309 OE1 GLN A 20 9.529 0.668 3.602 1.00 0.00 O ATOM 310 NE2 GLN A 20 7.347 1.025 3.300 1.00 0.00 N ATOM 0 H GLN A 20 4.897 -3.093 2.901 1.00 0.00 H new ATOM 0 HA GLN A 20 7.004 -3.136 1.108 1.00 0.00 H new ATOM 0 HB2 GLN A 20 6.164 -1.091 2.178 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.674 -1.662 3.754 1.00 0.00 H new ATOM 0 HG2 GLN A 20 9.059 -1.715 2.846 1.00 0.00 H new ATOM 0 HG3 GLN A 20 8.455 -0.899 1.417 1.00 0.00 H new ATOM 0 HE21 GLN A 20 6.459 0.679 2.937 1.00 0.00 H new ATOM 0 HE22 GLN A 20 7.391 1.937 3.755 1.00 0.00 H new ATOM 319 N THR A 21 7.911 -4.109 4.144 1.00 0.00 N ATOM 320 CA THR A 21 8.991 -4.743 4.888 1.00 0.00 C ATOM 321 C THR A 21 9.227 -6.182 4.423 1.00 0.00 C ATOM 322 O THR A 21 10.366 -6.626 4.336 1.00 0.00 O ATOM 323 CB THR A 21 8.729 -4.691 6.413 1.00 0.00 C ATOM 324 OG1 THR A 21 9.789 -5.336 7.134 1.00 0.00 O ATOM 325 CG2 THR A 21 7.397 -5.332 6.774 1.00 0.00 C ATOM 0 H THR A 21 7.111 -3.832 4.713 1.00 0.00 H new ATOM 0 HA THR A 21 9.900 -4.177 4.683 1.00 0.00 H new ATOM 0 HB THR A 21 8.691 -3.640 6.698 1.00 0.00 H new ATOM 0 HG1 THR A 21 9.605 -5.291 8.096 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.247 -5.277 7.852 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.590 -4.803 6.268 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.399 -6.376 6.461 1.00 0.00 H new ATOM 333 N CYS A 22 8.160 -6.897 4.088 1.00 0.00 N ATOM 334 CA CYS A 22 8.295 -8.265 3.607 1.00 0.00 C ATOM 335 C CYS A 22 8.861 -8.276 2.185 1.00 0.00 C ATOM 336 O CYS A 22 9.758 -9.052 1.859 1.00 0.00 O ATOM 337 CB CYS A 22 6.937 -8.969 3.641 1.00 0.00 C ATOM 338 SG CYS A 22 6.102 -8.893 5.245 1.00 0.00 S ATOM 0 H CYS A 22 7.200 -6.556 4.140 1.00 0.00 H new ATOM 0 HA CYS A 22 8.986 -8.799 4.259 1.00 0.00 H new ATOM 0 HB2 CYS A 22 6.290 -8.523 2.886 1.00 0.00 H new ATOM 0 HB3 CYS A 22 7.075 -10.014 3.365 1.00 0.00 H new ATOM 0 HG CYS A 22 5.391 -7.807 5.313 1.00 0.00 H new ATOM 344 N ARG A 23 8.336 -7.384 1.357 1.00 0.00 N ATOM 345 CA ARG A 23 8.723 -7.283 -0.043 1.00 0.00 C ATOM 346 C ARG A 23 10.161 -6.799 -0.203 1.00 0.00 C ATOM 347 O ARG A 23 10.982 -7.448 -0.855 1.00 0.00 O ATOM 348 CB ARG A 23 7.784 -6.307 -0.752 1.00 0.00 C ATOM 349 CG ARG A 23 8.236 -5.910 -2.144 1.00 0.00 C ATOM 350 CD ARG A 23 7.710 -4.533 -2.516 1.00 0.00 C ATOM 351 NE ARG A 23 8.178 -3.496 -1.594 1.00 0.00 N ATOM 352 CZ ARG A 23 9.226 -2.703 -1.827 1.00 0.00 C ATOM 353 NH1 ARG A 23 9.968 -2.879 -2.913 1.00 0.00 N1+ ATOM 354 NH2 ARG A 23 9.539 -1.745 -0.956 1.00 0.00 N ATOM 0 H ARG A 23 7.627 -6.707 1.639 1.00 0.00 H new ATOM 0 HA ARG A 23 8.653 -8.277 -0.484 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.793 -6.757 -0.818 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.686 -5.408 -0.144 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.325 -5.912 -2.191 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.884 -6.645 -2.868 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.027 -4.286 -3.529 1.00 0.00 H new ATOM 0 HD3 ARG A 23 6.620 -4.550 -2.518 1.00 0.00 H new ATOM 0 HE ARG A 23 7.671 -3.372 -0.718 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.738 -3.622 -3.573 1.00 0.00 H new ATOM 0 HH12 ARG A 23 10.768 -2.271 -3.088 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.978 -1.619 -0.113 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.339 -1.138 -1.132 1.00 0.00 H new ATOM 368 N GLU A 24 10.456 -5.657 0.400 1.00 0.00 N ATOM 369 CA GLU A 24 11.691 -4.944 0.129 1.00 0.00 C ATOM 370 C GLU A 24 12.893 -5.613 0.781 1.00 0.00 C ATOM 371 O GLU A 24 13.968 -5.662 0.185 1.00 0.00 O ATOM 372 CB GLU A 24 11.557 -3.488 0.568 1.00 0.00 C ATOM 373 CG GLU A 24 12.755 -2.633 0.203 1.00 0.00 C ATOM 374 CD GLU A 24 12.526 -1.159 0.462 1.00 0.00 C ATOM 375 OE1 GLU A 24 11.858 -0.507 -0.371 1.00 0.00 O1- ATOM 376 OE2 GLU A 24 13.022 -0.651 1.487 1.00 0.00 O ATOM 0 H GLU A 24 9.851 -5.203 1.085 1.00 0.00 H new ATOM 0 HA GLU A 24 11.868 -4.971 -0.946 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.664 -3.060 0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.412 -3.454 1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.621 -2.967 0.774 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.992 -2.779 -0.851 1.00 0.00 H new ATOM 383 N GLU A 25 12.725 -6.148 1.983 1.00 0.00 N ATOM 384 CA GLU A 25 13.810 -6.881 2.618 1.00 0.00 C ATOM 385 C GLU A 25 14.145 -8.117 1.794 1.00 0.00 C ATOM 386 O GLU A 25 15.311 -8.459 1.614 1.00 0.00 O ATOM 387 CB GLU A 25 13.457 -7.274 4.052 1.00 0.00 C ATOM 388 CG GLU A 25 13.385 -6.095 4.999 1.00 0.00 C ATOM 389 CD GLU A 25 13.229 -6.509 6.449 1.00 0.00 C ATOM 390 OE1 GLU A 25 12.145 -7.000 6.825 1.00 0.00 O1- ATOM 391 OE2 GLU A 25 14.198 -6.343 7.225 1.00 0.00 O ATOM 0 H GLU A 25 11.865 -6.090 2.529 1.00 0.00 H new ATOM 0 HA GLU A 25 14.683 -6.229 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.497 -7.791 4.053 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.200 -7.981 4.420 1.00 0.00 H new ATOM 0 HG2 GLU A 25 14.289 -5.495 4.893 1.00 0.00 H new ATOM 0 HG3 GLU A 25 12.546 -5.459 4.716 1.00 0.00 H new ATOM 398 N HIS A 26 13.109 -8.761 1.272 1.00 0.00 N ATOM 399 CA HIS A 26 13.281 -9.901 0.381 1.00 0.00 C ATOM 400 C HIS A 26 14.025 -9.493 -0.894 1.00 0.00 C ATOM 401 O HIS A 26 14.765 -10.290 -1.465 1.00 0.00 O ATOM 402 CB HIS A 26 11.913 -10.505 0.035 1.00 0.00 C ATOM 403 CG HIS A 26 11.972 -11.676 -0.904 1.00 0.00 C ATOM 404 ND1 HIS A 26 11.456 -11.640 -2.182 1.00 0.00 N ATOM 405 CD2 HIS A 26 12.474 -12.923 -0.740 1.00 0.00 C ATOM 406 CE1 HIS A 26 11.636 -12.813 -2.761 1.00 0.00 C ATOM 407 NE2 HIS A 26 12.251 -13.608 -1.909 1.00 0.00 N ATOM 0 H HIS A 26 12.136 -8.512 1.451 1.00 0.00 H new ATOM 0 HA HIS A 26 13.882 -10.653 0.893 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.424 -10.819 0.957 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.289 -9.730 -0.409 1.00 0.00 H new ATOM 0 HD2 HIS A 26 12.959 -13.307 0.145 1.00 0.00 H new ATOM 0 HE1 HIS A 26 11.331 -13.076 -3.763 1.00 0.00 H new ATOM 0 HE2 HIS A 26 12.518 -14.576 -2.089 1.00 0.00 H new ATOM 416 N LYS A 27 13.833 -8.251 -1.329 1.00 0.00 N ATOM 417 CA LYS A 27 14.475 -7.759 -2.544 1.00 0.00 C ATOM 418 C LYS A 27 15.932 -7.380 -2.298 1.00 0.00 C ATOM 419 O LYS A 27 16.786 -7.598 -3.152 1.00 0.00 O ATOM 420 CB LYS A 27 13.723 -6.552 -3.116 1.00 0.00 C ATOM 421 CG LYS A 27 12.397 -6.900 -3.779 1.00 0.00 C ATOM 422 CD LYS A 27 12.572 -7.921 -4.896 1.00 0.00 C ATOM 423 CE LYS A 27 13.608 -7.473 -5.921 1.00 0.00 C ATOM 424 NZ LYS A 27 13.710 -8.427 -7.057 1.00 0.00 N1+ ATOM 0 H LYS A 27 13.239 -7.568 -0.859 1.00 0.00 H new ATOM 0 HA LYS A 27 14.446 -8.574 -3.267 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.539 -5.839 -2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.361 -6.053 -3.845 1.00 0.00 H new ATOM 0 HG2 LYS A 27 11.709 -7.294 -3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.944 -5.994 -4.182 1.00 0.00 H new ATOM 0 HD2 LYS A 27 12.874 -8.877 -4.469 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.616 -8.082 -5.393 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.342 -6.486 -6.298 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.580 -7.378 -5.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 14.711 -8.645 -7.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.202 -9.303 -6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.289 -8.001 -7.907 1.00 0.00 H new ATOM 438 N LYS A 28 16.211 -6.795 -1.141 1.00 0.00 N ATOM 439 CA LYS A 28 17.573 -6.396 -0.802 1.00 0.00 C ATOM 440 C LYS A 28 18.450 -7.610 -0.515 1.00 0.00 C ATOM 441 O LYS A 28 19.635 -7.625 -0.851 1.00 0.00 O ATOM 442 CB LYS A 28 17.565 -5.444 0.396 1.00 0.00 C ATOM 443 CG LYS A 28 16.845 -4.138 0.106 1.00 0.00 C ATOM 444 CD LYS A 28 16.722 -3.261 1.338 1.00 0.00 C ATOM 445 CE LYS A 28 15.917 -2.012 1.023 1.00 0.00 C ATOM 446 NZ LYS A 28 15.611 -1.202 2.231 1.00 0.00 N1+ ATOM 0 H LYS A 28 15.517 -6.586 -0.423 1.00 0.00 H new ATOM 0 HA LYS A 28 17.996 -5.876 -1.661 1.00 0.00 H new ATOM 0 HB2 LYS A 28 17.087 -5.937 1.243 1.00 0.00 H new ATOM 0 HB3 LYS A 28 18.592 -5.230 0.691 1.00 0.00 H new ATOM 0 HG2 LYS A 28 17.382 -3.595 -0.672 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.850 -4.353 -0.285 1.00 0.00 H new ATOM 0 HD2 LYS A 28 16.241 -3.818 2.142 1.00 0.00 H new ATOM 0 HD3 LYS A 28 17.714 -2.982 1.693 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.470 -1.399 0.311 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.984 -2.300 0.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.627 -0.867 2.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.738 -1.786 3.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.253 -0.385 2.273 1.00 0.00 H new ATOM 460 N LYS A 29 17.864 -8.626 0.105 1.00 0.00 N ATOM 461 CA LYS A 29 18.591 -9.850 0.412 1.00 0.00 C ATOM 462 C LYS A 29 18.605 -10.796 -0.788 1.00 0.00 C ATOM 463 O LYS A 29 19.472 -11.663 -0.897 1.00 0.00 O ATOM 464 CB LYS A 29 17.966 -10.535 1.623 1.00 0.00 C ATOM 465 CG LYS A 29 17.871 -9.622 2.828 1.00 0.00 C ATOM 466 CD LYS A 29 17.144 -10.284 3.981 1.00 0.00 C ATOM 467 CE LYS A 29 16.824 -9.277 5.069 1.00 0.00 C ATOM 468 NZ LYS A 29 16.190 -9.917 6.251 1.00 0.00 N1+ ATOM 0 H LYS A 29 16.889 -8.627 0.405 1.00 0.00 H new ATOM 0 HA LYS A 29 19.623 -9.589 0.644 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.969 -10.888 1.361 1.00 0.00 H new ATOM 0 HB3 LYS A 29 18.557 -11.413 1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 29 18.873 -9.336 3.147 1.00 0.00 H new ATOM 0 HG3 LYS A 29 17.351 -8.705 2.549 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.222 -10.741 3.621 1.00 0.00 H new ATOM 0 HD3 LYS A 29 17.758 -11.086 4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 29 17.740 -8.773 5.377 1.00 0.00 H new ATOM 0 HE3 LYS A 29 16.158 -8.512 4.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.988 -9.194 6.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.303 -10.376 5.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 16.835 -10.629 6.648 1.00 0.00 H new ATOM 482 N HIS A 30 17.633 -10.631 -1.678 1.00 0.00 N ATOM 483 CA HIS A 30 17.553 -11.437 -2.894 1.00 0.00 C ATOM 484 C HIS A 30 17.133 -10.574 -4.079 1.00 0.00 C ATOM 485 O HIS A 30 15.950 -10.506 -4.417 1.00 0.00 O ATOM 486 CB HIS A 30 16.563 -12.599 -2.736 1.00 0.00 C ATOM 487 CG HIS A 30 16.982 -13.627 -1.735 1.00 0.00 C ATOM 488 ND1 HIS A 30 17.883 -14.623 -2.017 1.00 0.00 N ATOM 489 CD2 HIS A 30 16.611 -13.811 -0.448 1.00 0.00 C ATOM 490 CE1 HIS A 30 18.048 -15.379 -0.952 1.00 0.00 C ATOM 491 NE2 HIS A 30 17.287 -14.909 0.022 1.00 0.00 N ATOM 0 H HIS A 30 16.886 -9.944 -1.581 1.00 0.00 H new ATOM 0 HA HIS A 30 18.545 -11.850 -3.075 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.592 -12.198 -2.444 1.00 0.00 H new ATOM 0 HB3 HIS A 30 16.430 -13.083 -3.704 1.00 0.00 H new ATOM 0 HD2 HIS A 30 15.911 -13.205 0.108 1.00 0.00 H new ATOM 0 HE1 HIS A 30 18.697 -16.240 -0.885 1.00 0.00 H new ATOM 0 HE2 HIS A 30 17.215 -15.297 0.963 1.00 0.00 H new ATOM 500 N PRO A 31 18.094 -9.887 -4.715 1.00 0.00 N ATOM 501 CA PRO A 31 17.813 -9.000 -5.850 1.00 0.00 C ATOM 502 C PRO A 31 17.274 -9.771 -7.050 1.00 0.00 C ATOM 503 O PRO A 31 16.360 -9.311 -7.744 1.00 0.00 O ATOM 504 CB PRO A 31 19.179 -8.382 -6.183 1.00 0.00 C ATOM 505 CG PRO A 31 20.030 -8.629 -4.982 1.00 0.00 C ATOM 506 CD PRO A 31 19.526 -9.903 -4.372 1.00 0.00 C ATOM 0 HA PRO A 31 17.051 -8.259 -5.609 1.00 0.00 H new ATOM 0 HB2 PRO A 31 19.612 -8.841 -7.072 1.00 0.00 H new ATOM 0 HB3 PRO A 31 19.088 -7.315 -6.387 1.00 0.00 H new ATOM 0 HG2 PRO A 31 21.080 -8.718 -5.260 1.00 0.00 H new ATOM 0 HG3 PRO A 31 19.957 -7.802 -4.275 1.00 0.00 H new ATOM 0 HD2 PRO A 31 20.031 -10.776 -4.785 1.00 0.00 H new ATOM 0 HD3 PRO A 31 19.683 -9.925 -3.294 1.00 0.00 H new ATOM 514 N ASP A 32 17.836 -10.956 -7.266 1.00 0.00 N ATOM 515 CA ASP A 32 17.470 -11.806 -8.396 1.00 0.00 C ATOM 516 C ASP A 32 16.044 -12.316 -8.269 1.00 0.00 C ATOM 517 O ASP A 32 15.393 -12.618 -9.269 1.00 0.00 O ATOM 518 CB ASP A 32 18.421 -12.998 -8.498 1.00 0.00 C ATOM 519 CG ASP A 32 19.862 -12.583 -8.689 1.00 0.00 C ATOM 520 OD1 ASP A 32 20.279 -12.393 -9.848 1.00 0.00 O ATOM 521 OD2 ASP A 32 20.585 -12.453 -7.677 1.00 0.00 O1- ATOM 0 H ASP A 32 18.557 -11.355 -6.664 1.00 0.00 H new ATOM 0 HA ASP A 32 17.545 -11.198 -9.297 1.00 0.00 H new ATOM 0 HB2 ASP A 32 18.338 -13.601 -7.594 1.00 0.00 H new ATOM 0 HB3 ASP A 32 18.116 -13.630 -9.332 1.00 0.00 H new ATOM 526 N ALA A 33 15.564 -12.415 -7.039 1.00 0.00 N ATOM 527 CA ALA A 33 14.238 -12.949 -6.782 1.00 0.00 C ATOM 528 C ALA A 33 13.168 -11.891 -7.001 1.00 0.00 C ATOM 529 O ALA A 33 13.013 -10.966 -6.200 1.00 0.00 O ATOM 530 CB ALA A 33 14.145 -13.500 -5.369 1.00 0.00 C ATOM 0 H ALA A 33 16.075 -12.132 -6.203 1.00 0.00 H new ATOM 0 HA ALA A 33 14.066 -13.762 -7.488 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.144 -13.895 -5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 33 14.877 -14.298 -5.241 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.348 -12.703 -4.654 1.00 0.00 H new ATOM 536 N SER A 34 12.447 -12.017 -8.099 1.00 0.00 N ATOM 537 CA SER A 34 11.316 -11.151 -8.369 1.00 0.00 C ATOM 538 C SER A 34 10.057 -11.767 -7.782 1.00 0.00 C ATOM 539 O SER A 34 9.855 -12.981 -7.869 1.00 0.00 O ATOM 540 CB SER A 34 11.148 -10.944 -9.873 1.00 0.00 C ATOM 541 OG SER A 34 12.305 -10.353 -10.440 1.00 0.00 O ATOM 0 H SER A 34 12.626 -12.714 -8.821 1.00 0.00 H new ATOM 0 HA SER A 34 11.493 -10.180 -7.907 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.952 -11.902 -10.355 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.282 -10.309 -10.061 1.00 0.00 H new ATOM 0 HG SER A 34 12.172 -10.233 -11.403 1.00 0.00 H new ATOM 547 N VAL A 35 9.226 -10.950 -7.165 1.00 0.00 N ATOM 548 CA VAL A 35 7.984 -11.439 -6.598 1.00 0.00 C ATOM 549 C VAL A 35 6.891 -11.390 -7.653 1.00 0.00 C ATOM 550 O VAL A 35 6.982 -10.621 -8.610 1.00 0.00 O ATOM 551 CB VAL A 35 7.529 -10.615 -5.367 1.00 0.00 C ATOM 552 CG1 VAL A 35 8.650 -10.477 -4.350 1.00 0.00 C ATOM 553 CG2 VAL A 35 7.013 -9.247 -5.786 1.00 0.00 C ATOM 0 H VAL A 35 9.386 -9.950 -7.044 1.00 0.00 H new ATOM 0 HA VAL A 35 8.162 -12.463 -6.268 1.00 0.00 H new ATOM 0 HB VAL A 35 6.711 -11.157 -4.893 1.00 0.00 H new ATOM 0 HG11 VAL A 35 8.299 -9.894 -3.499 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.957 -11.466 -4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.499 -9.972 -4.811 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.700 -8.690 -4.903 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.805 -8.701 -6.298 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.163 -9.369 -6.458 1.00 0.00 H new ATOM 563 N ASN A 36 5.874 -12.216 -7.493 1.00 0.00 N ATOM 564 CA ASN A 36 4.713 -12.139 -8.357 1.00 0.00 C ATOM 565 C ASN A 36 3.732 -11.154 -7.747 1.00 0.00 C ATOM 566 O ASN A 36 3.233 -11.379 -6.645 1.00 0.00 O ATOM 567 CB ASN A 36 4.056 -13.512 -8.536 1.00 0.00 C ATOM 568 CG ASN A 36 5.000 -14.552 -9.106 1.00 0.00 C ATOM 569 OD1 ASN A 36 5.175 -14.655 -10.321 1.00 0.00 O ATOM 570 ND2 ASN A 36 5.592 -15.355 -8.235 1.00 0.00 N ATOM 0 H ASN A 36 5.829 -12.942 -6.778 1.00 0.00 H new ATOM 0 HA ASN A 36 5.021 -11.802 -9.347 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.683 -13.858 -7.572 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.193 -13.413 -9.195 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.218 -16.090 -8.563 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.422 -15.238 -7.236 1.00 0.00 H new ATOM 577 N PHE A 37 3.480 -10.059 -8.456 1.00 0.00 N ATOM 578 CA PHE A 37 2.707 -8.939 -7.917 1.00 0.00 C ATOM 579 C PHE A 37 1.364 -9.384 -7.343 1.00 0.00 C ATOM 580 O PHE A 37 1.094 -9.188 -6.154 1.00 0.00 O ATOM 581 CB PHE A 37 2.492 -7.873 -8.995 1.00 0.00 C ATOM 582 CG PHE A 37 1.595 -6.746 -8.558 1.00 0.00 C ATOM 583 CD1 PHE A 37 1.863 -6.037 -7.396 1.00 0.00 C ATOM 584 CD2 PHE A 37 0.477 -6.404 -9.303 1.00 0.00 C ATOM 585 CE1 PHE A 37 1.036 -5.010 -6.988 1.00 0.00 C ATOM 586 CE2 PHE A 37 -0.353 -5.376 -8.898 1.00 0.00 C ATOM 587 CZ PHE A 37 -0.074 -4.679 -7.739 1.00 0.00 C ATOM 0 H PHE A 37 3.802 -9.920 -9.414 1.00 0.00 H new ATOM 0 HA PHE A 37 3.286 -8.515 -7.097 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.459 -7.464 -9.288 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.064 -8.344 -9.880 1.00 0.00 H new ATOM 0 HD1 PHE A 37 2.729 -6.292 -6.803 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.252 -6.947 -10.209 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.257 -4.466 -6.082 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.220 -5.118 -9.488 1.00 0.00 H new ATOM 0 HZ PHE A 37 -0.723 -3.877 -7.421 1.00 0.00 H new ATOM 597 N SER A 38 0.537 -9.984 -8.180 1.00 0.00 N ATOM 598 CA SER A 38 -0.794 -10.399 -7.765 1.00 0.00 C ATOM 599 C SER A 38 -0.729 -11.472 -6.680 1.00 0.00 C ATOM 600 O SER A 38 -1.550 -11.486 -5.768 1.00 0.00 O ATOM 601 CB SER A 38 -1.583 -10.904 -8.972 1.00 0.00 C ATOM 602 OG SER A 38 -1.701 -9.885 -9.953 1.00 0.00 O ATOM 0 H SER A 38 0.762 -10.196 -9.152 1.00 0.00 H new ATOM 0 HA SER A 38 -1.305 -9.534 -7.343 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.085 -11.773 -9.401 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.574 -11.228 -8.656 1.00 0.00 H new ATOM 0 HG SER A 38 -2.199 -9.128 -9.580 1.00 0.00 H new ATOM 608 N GLU A 39 0.262 -12.349 -6.768 1.00 0.00 N ATOM 609 CA GLU A 39 0.413 -13.429 -5.798 1.00 0.00 C ATOM 610 C GLU A 39 0.790 -12.883 -4.429 1.00 0.00 C ATOM 611 O GLU A 39 0.193 -13.254 -3.416 1.00 0.00 O ATOM 612 CB GLU A 39 1.483 -14.415 -6.259 1.00 0.00 C ATOM 613 CG GLU A 39 1.161 -15.081 -7.582 1.00 0.00 C ATOM 614 CD GLU A 39 -0.099 -15.920 -7.508 1.00 0.00 C ATOM 615 OE1 GLU A 39 -0.015 -17.082 -7.058 1.00 0.00 O1- ATOM 616 OE2 GLU A 39 -1.176 -15.421 -7.877 1.00 0.00 O ATOM 0 H GLU A 39 0.973 -12.335 -7.499 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.545 -13.942 -5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.435 -13.891 -6.347 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.611 -15.183 -5.496 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.043 -14.318 -8.352 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.998 -15.711 -7.883 1.00 0.00 H new ATOM 623 N PHE A 40 1.776 -11.994 -4.409 1.00 0.00 N ATOM 624 CA PHE A 40 2.291 -11.447 -3.166 1.00 0.00 C ATOM 625 C PHE A 40 1.197 -10.685 -2.430 1.00 0.00 C ATOM 626 O PHE A 40 0.903 -10.978 -1.272 1.00 0.00 O ATOM 627 CB PHE A 40 3.489 -10.533 -3.444 1.00 0.00 C ATOM 628 CG PHE A 40 4.315 -10.224 -2.227 1.00 0.00 C ATOM 629 CD1 PHE A 40 5.269 -11.121 -1.781 1.00 0.00 C ATOM 630 CD2 PHE A 40 4.137 -9.040 -1.531 1.00 0.00 C ATOM 631 CE1 PHE A 40 6.032 -10.845 -0.662 1.00 0.00 C ATOM 632 CE2 PHE A 40 4.896 -8.759 -0.412 1.00 0.00 C ATOM 633 CZ PHE A 40 5.845 -9.663 0.023 1.00 0.00 C ATOM 0 H PHE A 40 2.235 -11.637 -5.247 1.00 0.00 H new ATOM 0 HA PHE A 40 2.624 -12.270 -2.533 1.00 0.00 H new ATOM 0 HB2 PHE A 40 4.126 -11.003 -4.193 1.00 0.00 H new ATOM 0 HB3 PHE A 40 3.128 -9.598 -3.873 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.419 -12.048 -2.314 1.00 0.00 H new ATOM 0 HD2 PHE A 40 3.397 -8.329 -1.867 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.774 -11.554 -0.325 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.747 -7.833 0.123 1.00 0.00 H new ATOM 0 HZ PHE A 40 6.439 -9.445 0.898 1.00 0.00 H new ATOM 643 N SER A 41 0.575 -9.739 -3.118 1.00 0.00 N ATOM 644 CA SER A 41 -0.474 -8.921 -2.525 1.00 0.00 C ATOM 645 C SER A 41 -1.660 -9.781 -2.083 1.00 0.00 C ATOM 646 O SER A 41 -2.272 -9.526 -1.047 1.00 0.00 O ATOM 647 CB SER A 41 -0.930 -7.865 -3.529 1.00 0.00 C ATOM 648 OG SER A 41 0.182 -7.138 -4.026 1.00 0.00 O ATOM 0 H SER A 41 0.780 -9.518 -4.092 1.00 0.00 H new ATOM 0 HA SER A 41 -0.071 -8.428 -1.640 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.457 -8.343 -4.354 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.635 -7.183 -3.053 1.00 0.00 H new ATOM 0 HG SER A 41 0.617 -7.652 -4.738 1.00 0.00 H new ATOM 654 N LYS A 42 -1.956 -10.816 -2.859 1.00 0.00 N ATOM 655 CA LYS A 42 -3.074 -11.706 -2.573 1.00 0.00 C ATOM 656 C LYS A 42 -2.879 -12.438 -1.247 1.00 0.00 C ATOM 657 O LYS A 42 -3.724 -12.352 -0.359 1.00 0.00 O ATOM 658 CB LYS A 42 -3.242 -12.698 -3.724 1.00 0.00 C ATOM 659 CG LYS A 42 -4.368 -13.703 -3.548 1.00 0.00 C ATOM 660 CD LYS A 42 -4.663 -14.412 -4.862 1.00 0.00 C ATOM 661 CE LYS A 42 -3.391 -14.950 -5.505 1.00 0.00 C ATOM 662 NZ LYS A 42 -3.607 -15.372 -6.914 1.00 0.00 N1+ ATOM 0 H LYS A 42 -1.432 -11.061 -3.699 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.981 -11.108 -2.480 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -3.415 -12.138 -4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.307 -13.242 -3.854 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.095 -14.434 -2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.265 -13.194 -3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.358 -15.233 -4.685 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.154 -13.721 -5.547 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.617 -14.183 -5.472 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -3.024 -15.798 -4.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.707 -15.699 -7.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.301 -16.146 -6.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.964 -14.567 -7.467 1.00 0.00 H new ATOM 676 N LYS A 43 -1.758 -13.133 -1.095 1.00 0.00 N ATOM 677 CA LYS A 43 -1.521 -13.888 0.129 1.00 0.00 C ATOM 678 C LYS A 43 -1.252 -12.962 1.308 1.00 0.00 C ATOM 679 O LYS A 43 -1.667 -13.244 2.430 1.00 0.00 O ATOM 680 CB LYS A 43 -0.373 -14.890 -0.041 1.00 0.00 C ATOM 681 CG LYS A 43 0.957 -14.279 -0.454 1.00 0.00 C ATOM 682 CD LYS A 43 2.016 -15.356 -0.610 1.00 0.00 C ATOM 683 CE LYS A 43 3.293 -14.817 -1.229 1.00 0.00 C ATOM 684 NZ LYS A 43 4.024 -13.881 -0.333 1.00 0.00 N1+ ATOM 0 H LYS A 43 -1.012 -13.190 -1.789 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.430 -14.451 0.339 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.234 -15.424 0.899 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.664 -15.629 -0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.839 -13.739 -1.394 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.277 -13.553 0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.241 -15.787 0.366 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.624 -16.161 -1.231 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.946 -15.651 -1.485 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.051 -14.305 -2.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.300 -13.033 -0.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.408 -13.606 0.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.876 -14.349 0.037 1.00 0.00 H new ATOM 698 N CYS A 44 -0.582 -11.847 1.049 1.00 0.00 N ATOM 699 CA CYS A 44 -0.240 -10.909 2.106 1.00 0.00 C ATOM 700 C CYS A 44 -1.464 -10.131 2.585 1.00 0.00 C ATOM 701 O CYS A 44 -1.517 -9.719 3.741 1.00 0.00 O ATOM 702 CB CYS A 44 0.863 -9.957 1.644 1.00 0.00 C ATOM 703 SG CYS A 44 2.461 -10.768 1.379 1.00 0.00 S ATOM 0 H CYS A 44 -0.266 -11.572 0.119 1.00 0.00 H new ATOM 0 HA CYS A 44 0.133 -11.485 2.953 1.00 0.00 H new ATOM 0 HB2 CYS A 44 0.551 -9.477 0.717 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.985 -9.168 2.386 1.00 0.00 H new ATOM 0 HG CYS A 44 3.207 -10.019 0.623 1.00 0.00 H new ATOM 709 N SER A 45 -2.452 -9.941 1.715 1.00 0.00 N ATOM 710 CA SER A 45 -3.670 -9.253 2.118 1.00 0.00 C ATOM 711 C SER A 45 -4.398 -10.073 3.175 1.00 0.00 C ATOM 712 O SER A 45 -4.733 -9.567 4.244 1.00 0.00 O ATOM 713 CB SER A 45 -4.587 -8.985 0.915 1.00 0.00 C ATOM 714 OG SER A 45 -5.086 -10.187 0.351 1.00 0.00 O ATOM 0 H SER A 45 -2.433 -10.249 0.743 1.00 0.00 H new ATOM 0 HA SER A 45 -3.395 -8.287 2.541 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.421 -8.357 1.228 1.00 0.00 H new ATOM 0 HB3 SER A 45 -4.037 -8.429 0.156 1.00 0.00 H new ATOM 0 HG SER A 45 -4.340 -10.720 0.004 1.00 0.00 H new ATOM 720 N GLU A 46 -4.602 -11.352 2.886 1.00 0.00 N ATOM 721 CA GLU A 46 -5.258 -12.246 3.822 1.00 0.00 C ATOM 722 C GLU A 46 -4.428 -12.395 5.091 1.00 0.00 C ATOM 723 O GLU A 46 -4.974 -12.466 6.191 1.00 0.00 O ATOM 724 CB GLU A 46 -5.494 -13.607 3.174 1.00 0.00 C ATOM 725 CG GLU A 46 -6.299 -13.525 1.889 1.00 0.00 C ATOM 726 CD GLU A 46 -6.615 -14.887 1.319 1.00 0.00 C ATOM 727 OE1 GLU A 46 -7.659 -15.459 1.690 1.00 0.00 O1- ATOM 728 OE2 GLU A 46 -5.817 -15.395 0.507 1.00 0.00 O ATOM 0 H GLU A 46 -4.321 -11.791 2.009 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.223 -11.818 4.093 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.532 -14.074 2.963 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -6.014 -14.254 3.881 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.229 -12.989 2.080 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.743 -12.946 1.152 1.00 0.00 H new ATOM 735 N ARG A 47 -3.109 -12.434 4.932 1.00 0.00 N ATOM 736 CA ARG A 47 -2.203 -12.468 6.075 1.00 0.00 C ATOM 737 C ARG A 47 -2.417 -11.254 6.967 1.00 0.00 C ATOM 738 O ARG A 47 -2.700 -11.398 8.152 1.00 0.00 O ATOM 739 CB ARG A 47 -0.747 -12.528 5.607 1.00 0.00 C ATOM 740 CG ARG A 47 -0.280 -13.926 5.243 1.00 0.00 C ATOM 741 CD ARG A 47 0.694 -14.475 6.274 1.00 0.00 C ATOM 742 NE ARG A 47 0.140 -14.474 7.628 1.00 0.00 N ATOM 743 CZ ARG A 47 0.878 -14.341 8.731 1.00 0.00 C ATOM 744 NH1 ARG A 47 2.201 -14.241 8.639 1.00 0.00 N1+ ATOM 745 NH2 ARG A 47 0.292 -14.316 9.921 1.00 0.00 N ATOM 0 H ARG A 47 -2.644 -12.443 4.024 1.00 0.00 H new ATOM 0 HA ARG A 47 -2.421 -13.366 6.653 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.626 -11.877 4.741 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.105 -12.134 6.395 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.141 -14.590 5.165 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.198 -13.908 4.263 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.972 -15.493 6.000 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.607 -13.880 6.259 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.869 -14.581 7.735 1.00 0.00 H new ATOM 0 HH11 ARG A 47 2.652 -14.266 7.724 1.00 0.00 H new ATOM 0 HH12 ARG A 47 2.765 -14.139 9.483 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.722 -14.398 9.992 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.856 -14.214 10.765 1.00 0.00 H new ATOM 759 N TRP A 48 -2.310 -10.065 6.381 1.00 0.00 N ATOM 760 CA TRP A 48 -2.484 -8.820 7.119 1.00 0.00 C ATOM 761 C TRP A 48 -3.801 -8.803 7.881 1.00 0.00 C ATOM 762 O TRP A 48 -3.827 -8.580 9.092 1.00 0.00 O ATOM 763 CB TRP A 48 -2.438 -7.626 6.161 1.00 0.00 C ATOM 764 CG TRP A 48 -2.921 -6.346 6.782 1.00 0.00 C ATOM 765 CD1 TRP A 48 -4.136 -5.748 6.591 1.00 0.00 C ATOM 766 CD2 TRP A 48 -2.209 -5.518 7.703 1.00 0.00 C ATOM 767 NE1 TRP A 48 -4.214 -4.594 7.332 1.00 0.00 N ATOM 768 CE2 TRP A 48 -3.046 -4.433 8.022 1.00 0.00 C ATOM 769 CE3 TRP A 48 -0.945 -5.587 8.284 1.00 0.00 C ATOM 770 CZ2 TRP A 48 -2.655 -3.430 8.901 1.00 0.00 C ATOM 771 CZ3 TRP A 48 -0.559 -4.591 9.155 1.00 0.00 C ATOM 772 CH2 TRP A 48 -1.411 -3.526 9.457 1.00 0.00 C ATOM 0 H TRP A 48 -2.102 -9.938 5.390 1.00 0.00 H new ATOM 0 HA TRP A 48 -1.668 -8.748 7.838 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -1.415 -7.489 5.812 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -3.047 -7.849 5.285 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -4.919 -6.127 5.951 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -5.013 -3.961 7.362 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.279 -6.406 8.056 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -3.311 -2.605 9.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.419 -4.635 9.612 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.079 -2.762 10.145 1.00 0.00 H new ATOM 783 N LYS A 49 -4.885 -9.057 7.164 1.00 0.00 N ATOM 784 CA LYS A 49 -6.222 -8.922 7.720 1.00 0.00 C ATOM 785 C LYS A 49 -6.464 -9.900 8.868 1.00 0.00 C ATOM 786 O LYS A 49 -7.206 -9.593 9.802 1.00 0.00 O ATOM 787 CB LYS A 49 -7.268 -9.119 6.621 1.00 0.00 C ATOM 788 CG LYS A 49 -7.085 -8.177 5.440 1.00 0.00 C ATOM 789 CD LYS A 49 -8.139 -8.405 4.372 1.00 0.00 C ATOM 790 CE LYS A 49 -7.987 -7.419 3.224 1.00 0.00 C ATOM 791 NZ LYS A 49 -9.007 -7.637 2.164 1.00 0.00 N1+ ATOM 0 H LYS A 49 -4.864 -9.360 6.190 1.00 0.00 H new ATOM 0 HA LYS A 49 -6.312 -7.915 8.128 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -7.222 -10.149 6.266 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -8.262 -8.971 7.044 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -7.135 -7.145 5.787 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.094 -8.321 5.010 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -8.060 -9.424 3.992 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -9.132 -8.305 4.811 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -8.073 -6.402 3.606 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.990 -7.515 2.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -8.868 -6.944 1.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -8.909 -8.599 1.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -9.958 -7.520 2.568 1.00 0.00 H new ATOM 805 N THR A 50 -5.817 -11.058 8.815 1.00 0.00 N ATOM 806 CA THR A 50 -6.050 -12.096 9.810 1.00 0.00 C ATOM 807 C THR A 50 -5.007 -12.071 10.926 1.00 0.00 C ATOM 808 O THR A 50 -5.031 -12.923 11.817 1.00 0.00 O ATOM 809 CB THR A 50 -6.082 -13.496 9.173 1.00 0.00 C ATOM 810 OG1 THR A 50 -4.852 -13.772 8.491 1.00 0.00 O ATOM 811 CG2 THR A 50 -7.243 -13.616 8.198 1.00 0.00 C ATOM 0 H THR A 50 -5.132 -11.300 8.099 1.00 0.00 H new ATOM 0 HA THR A 50 -7.026 -11.881 10.245 1.00 0.00 H new ATOM 0 HB THR A 50 -6.214 -14.224 9.974 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.937 -13.519 7.548 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.248 -14.614 7.759 1.00 0.00 H new ATOM 0 HG22 THR A 50 -8.181 -13.448 8.727 1.00 0.00 H new ATOM 0 HG23 THR A 50 -7.134 -12.872 7.409 1.00 0.00 H new ATOM 819 N MET A 51 -4.087 -11.110 10.886 1.00 0.00 N ATOM 820 CA MET A 51 -3.111 -10.966 11.963 1.00 0.00 C ATOM 821 C MET A 51 -3.765 -10.354 13.189 1.00 0.00 C ATOM 822 O MET A 51 -4.888 -9.856 13.125 1.00 0.00 O ATOM 823 CB MET A 51 -1.910 -10.108 11.552 1.00 0.00 C ATOM 824 CG MET A 51 -1.010 -10.760 10.520 1.00 0.00 C ATOM 825 SD MET A 51 0.594 -9.948 10.394 1.00 0.00 S ATOM 826 CE MET A 51 0.090 -8.255 10.107 1.00 0.00 C ATOM 0 H MET A 51 -3.997 -10.429 10.132 1.00 0.00 H new ATOM 0 HA MET A 51 -2.746 -11.967 12.193 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.273 -9.160 11.155 1.00 0.00 H new ATOM 0 HB3 MET A 51 -1.320 -9.878 12.439 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.864 -11.808 10.780 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.502 -10.739 9.548 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.736 -7.806 9.352 1.00 0.00 H new ATOM 0 HE2 MET A 51 -0.943 -8.237 9.758 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.169 -7.689 11.035 1.00 0.00 H new ATOM 836 N SER A 52 -3.056 -10.383 14.300 1.00 0.00 N ATOM 837 CA SER A 52 -3.581 -9.847 15.541 1.00 0.00 C ATOM 838 C SER A 52 -3.361 -8.338 15.609 1.00 0.00 C ATOM 839 O SER A 52 -2.531 -7.788 14.879 1.00 0.00 O ATOM 840 CB SER A 52 -2.918 -10.548 16.723 1.00 0.00 C ATOM 841 OG SER A 52 -1.506 -10.473 16.635 1.00 0.00 O ATOM 0 H SER A 52 -2.115 -10.772 14.369 1.00 0.00 H new ATOM 0 HA SER A 52 -4.655 -10.029 15.583 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.252 -10.091 17.655 1.00 0.00 H new ATOM 0 HB3 SER A 52 -3.229 -11.592 16.751 1.00 0.00 H new ATOM 0 HG SER A 52 -1.180 -11.156 16.012 1.00 0.00 H new ATOM 847 N ALA A 53 -4.102 -7.670 16.487 1.00 0.00 N ATOM 848 CA ALA A 53 -4.020 -6.221 16.618 1.00 0.00 C ATOM 849 C ALA A 53 -2.639 -5.777 17.098 1.00 0.00 C ATOM 850 O ALA A 53 -2.187 -4.683 16.772 1.00 0.00 O ATOM 851 CB ALA A 53 -5.096 -5.716 17.564 1.00 0.00 C ATOM 0 H ALA A 53 -4.768 -8.112 17.120 1.00 0.00 H new ATOM 0 HA ALA A 53 -4.182 -5.788 15.631 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.023 -4.632 17.653 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.078 -5.983 17.174 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.960 -6.170 18.545 1.00 0.00 H new ATOM 857 N LYS A 54 -1.976 -6.622 17.877 1.00 0.00 N ATOM 858 CA LYS A 54 -0.622 -6.326 18.346 1.00 0.00 C ATOM 859 C LYS A 54 0.374 -6.341 17.186 1.00 0.00 C ATOM 860 O LYS A 54 1.344 -5.581 17.176 1.00 0.00 O ATOM 861 CB LYS A 54 -0.198 -7.317 19.437 1.00 0.00 C ATOM 862 CG LYS A 54 -0.955 -7.121 20.744 1.00 0.00 C ATOM 863 CD LYS A 54 -0.666 -8.213 21.770 1.00 0.00 C ATOM 864 CE LYS A 54 0.767 -8.172 22.286 1.00 0.00 C ATOM 865 NZ LYS A 54 1.690 -8.997 21.463 1.00 0.00 N1+ ATOM 0 H LYS A 54 -2.349 -7.515 18.198 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.625 -5.324 18.775 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.359 -8.334 19.079 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.871 -7.210 19.623 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.691 -6.152 21.168 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.025 -7.098 20.538 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.353 -8.108 22.610 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.858 -9.187 21.321 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.117 -7.140 22.295 1.00 0.00 H new ATOM 0 HE3 LYS A 54 0.789 -8.526 23.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.041 -9.795 22.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 1.183 -9.360 20.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.493 -8.414 21.152 1.00 0.00 H new ATOM 879 N GLU A 55 0.120 -7.194 16.203 1.00 0.00 N ATOM 880 CA GLU A 55 0.953 -7.247 15.008 1.00 0.00 C ATOM 881 C GLU A 55 0.632 -6.065 14.099 1.00 0.00 C ATOM 882 O GLU A 55 1.531 -5.369 13.628 1.00 0.00 O ATOM 883 CB GLU A 55 0.738 -8.568 14.267 1.00 0.00 C ATOM 884 CG GLU A 55 1.136 -9.785 15.083 1.00 0.00 C ATOM 885 CD GLU A 55 0.768 -11.085 14.405 1.00 0.00 C ATOM 886 OE1 GLU A 55 -0.435 -11.434 14.399 1.00 0.00 O ATOM 887 OE2 GLU A 55 1.679 -11.770 13.893 1.00 0.00 O1- ATOM 0 H GLU A 55 -0.654 -7.858 16.209 1.00 0.00 H new ATOM 0 HA GLU A 55 2.000 -7.188 15.304 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.312 -8.654 13.988 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.314 -8.555 13.341 1.00 0.00 H new ATOM 0 HG2 GLU A 55 2.211 -9.763 15.260 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.652 -9.738 16.058 1.00 0.00 H new ATOM 894 N LYS A 56 -0.657 -5.829 13.884 1.00 0.00 N ATOM 895 CA LYS A 56 -1.113 -4.709 13.060 1.00 0.00 C ATOM 896 C LYS A 56 -0.655 -3.375 13.655 1.00 0.00 C ATOM 897 O LYS A 56 -0.253 -2.465 12.929 1.00 0.00 O ATOM 898 CB LYS A 56 -2.641 -4.740 12.933 1.00 0.00 C ATOM 899 CG LYS A 56 -3.165 -5.962 12.191 1.00 0.00 C ATOM 900 CD LYS A 56 -4.683 -6.057 12.246 1.00 0.00 C ATOM 901 CE LYS A 56 -5.182 -7.227 11.416 1.00 0.00 C ATOM 902 NZ LYS A 56 -6.638 -7.470 11.596 1.00 0.00 N1+ ATOM 0 H LYS A 56 -1.410 -6.399 14.269 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.673 -4.807 12.068 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.081 -4.714 13.930 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.973 -3.840 12.415 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.842 -5.920 11.151 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.730 -6.863 12.624 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.007 -6.175 13.280 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.123 -5.130 11.878 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.976 -7.036 10.363 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.630 -8.126 11.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.944 -8.233 10.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.825 -7.745 12.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -7.165 -6.601 11.374 1.00 0.00 H new ATOM 916 N GLY A 57 -0.703 -3.283 14.981 1.00 0.00 N ATOM 917 CA GLY A 57 -0.276 -2.081 15.674 1.00 0.00 C ATOM 918 C GLY A 57 1.187 -1.765 15.439 1.00 0.00 C ATOM 919 O GLY A 57 1.563 -0.599 15.323 1.00 0.00 O ATOM 0 H GLY A 57 -1.034 -4.029 15.593 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -0.884 -1.239 15.343 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -0.452 -2.200 16.743 1.00 0.00 H new ATOM 923 N LYS A 58 2.013 -2.805 15.366 1.00 0.00 N ATOM 924 CA LYS A 58 3.435 -2.637 15.083 1.00 0.00 C ATOM 925 C LYS A 58 3.643 -1.942 13.740 1.00 0.00 C ATOM 926 O LYS A 58 4.370 -0.954 13.647 1.00 0.00 O ATOM 927 CB LYS A 58 4.150 -3.991 15.074 1.00 0.00 C ATOM 928 CG LYS A 58 5.581 -3.909 14.559 1.00 0.00 C ATOM 929 CD LYS A 58 6.218 -5.281 14.446 1.00 0.00 C ATOM 930 CE LYS A 58 7.553 -5.217 13.718 1.00 0.00 C ATOM 931 NZ LYS A 58 8.229 -6.539 13.682 1.00 0.00 N1+ ATOM 0 H LYS A 58 1.722 -3.773 15.499 1.00 0.00 H new ATOM 0 HA LYS A 58 3.858 -2.016 15.873 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.157 -4.398 16.085 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.587 -4.688 14.454 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.589 -3.423 13.583 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.174 -3.287 15.230 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.365 -5.698 15.442 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.544 -5.954 13.915 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.394 -4.863 12.699 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.201 -4.492 14.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.134 -6.452 13.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.404 -6.866 14.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.623 -7.226 13.189 1.00 0.00 H new ATOM 945 N PHE A 59 2.991 -2.458 12.703 1.00 0.00 N ATOM 946 CA PHE A 59 3.141 -1.904 11.364 1.00 0.00 C ATOM 947 C PHE A 59 2.578 -0.489 11.294 1.00 0.00 C ATOM 948 O PHE A 59 3.073 0.345 10.537 1.00 0.00 O ATOM 949 CB PHE A 59 2.466 -2.803 10.326 1.00 0.00 C ATOM 950 CG PHE A 59 3.118 -4.152 10.195 1.00 0.00 C ATOM 951 CD1 PHE A 59 4.280 -4.302 9.455 1.00 0.00 C ATOM 952 CD2 PHE A 59 2.578 -5.266 10.815 1.00 0.00 C ATOM 953 CE1 PHE A 59 4.887 -5.538 9.334 1.00 0.00 C ATOM 954 CE2 PHE A 59 3.182 -6.503 10.700 1.00 0.00 C ATOM 955 CZ PHE A 59 4.338 -6.639 9.959 1.00 0.00 C ATOM 0 H PHE A 59 2.357 -3.255 12.764 1.00 0.00 H new ATOM 0 HA PHE A 59 4.206 -1.858 11.137 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.419 -2.938 10.598 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.482 -2.304 9.357 1.00 0.00 H new ATOM 0 HD1 PHE A 59 4.717 -3.443 8.967 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.673 -5.167 11.396 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.790 -5.642 8.751 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.750 -7.363 11.190 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.812 -7.605 9.868 1.00 0.00 H new ATOM 965 N GLU A 60 1.551 -0.219 12.094 1.00 0.00 N ATOM 966 CA GLU A 60 0.968 1.114 12.154 1.00 0.00 C ATOM 967 C GLU A 60 1.936 2.090 12.809 1.00 0.00 C ATOM 968 O GLU A 60 2.090 3.226 12.362 1.00 0.00 O ATOM 969 CB GLU A 60 -0.357 1.095 12.921 1.00 0.00 C ATOM 970 CG GLU A 60 -1.054 2.447 12.945 1.00 0.00 C ATOM 971 CD GLU A 60 -2.328 2.440 13.760 1.00 0.00 C ATOM 972 OE1 GLU A 60 -3.368 1.991 13.240 1.00 0.00 O ATOM 973 OE2 GLU A 60 -2.300 2.904 14.922 1.00 0.00 O1- ATOM 0 H GLU A 60 1.108 -0.904 12.707 1.00 0.00 H new ATOM 0 HA GLU A 60 0.772 1.443 11.133 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.021 0.359 12.468 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.172 0.770 13.945 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.373 3.194 13.352 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.284 2.749 11.923 1.00 0.00 H new ATOM 980 N ASP A 61 2.606 1.631 13.858 1.00 0.00 N ATOM 981 CA ASP A 61 3.535 2.474 14.596 1.00 0.00 C ATOM 982 C ASP A 61 4.789 2.754 13.772 1.00 0.00 C ATOM 983 O ASP A 61 5.439 3.784 13.940 1.00 0.00 O ATOM 984 CB ASP A 61 3.903 1.831 15.930 1.00 0.00 C ATOM 985 CG ASP A 61 4.711 2.760 16.811 1.00 0.00 C ATOM 986 OD1 ASP A 61 4.133 3.731 17.342 1.00 0.00 O1- ATOM 987 OD2 ASP A 61 5.922 2.521 16.981 1.00 0.00 O ATOM 0 H ASP A 61 2.523 0.680 14.216 1.00 0.00 H new ATOM 0 HA ASP A 61 3.041 3.425 14.797 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.993 1.538 16.453 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.473 0.920 15.747 1.00 0.00 H new ATOM 992 N MET A 62 5.124 1.843 12.872 1.00 0.00 N ATOM 993 CA MET A 62 6.236 2.075 11.957 1.00 0.00 C ATOM 994 C MET A 62 5.806 3.021 10.838 1.00 0.00 C ATOM 995 O MET A 62 6.598 3.825 10.353 1.00 0.00 O ATOM 996 CB MET A 62 6.757 0.758 11.370 1.00 0.00 C ATOM 997 CG MET A 62 7.317 -0.199 12.414 1.00 0.00 C ATOM 998 SD MET A 62 8.158 -1.626 11.692 1.00 0.00 S ATOM 999 CE MET A 62 6.873 -2.297 10.643 1.00 0.00 C ATOM 0 H MET A 62 4.651 0.947 12.754 1.00 0.00 H new ATOM 0 HA MET A 62 7.048 2.535 12.520 1.00 0.00 H new ATOM 0 HB2 MET A 62 5.947 0.264 10.834 1.00 0.00 H new ATOM 0 HB3 MET A 62 7.534 0.979 10.639 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.015 0.340 13.055 1.00 0.00 H new ATOM 0 HG3 MET A 62 6.504 -0.548 13.051 1.00 0.00 H new ATOM 0 HE1 MET A 62 7.291 -3.083 10.014 1.00 0.00 H new ATOM 0 HE2 MET A 62 6.078 -2.712 11.262 1.00 0.00 H new ATOM 0 HE3 MET A 62 6.467 -1.505 10.013 1.00 0.00 H new ATOM 1009 N ALA A 63 4.536 2.930 10.452 1.00 0.00 N ATOM 1010 CA ALA A 63 3.982 3.793 9.415 1.00 0.00 C ATOM 1011 C ALA A 63 3.931 5.247 9.881 1.00 0.00 C ATOM 1012 O ALA A 63 4.363 6.151 9.168 1.00 0.00 O ATOM 1013 CB ALA A 63 2.596 3.312 9.018 1.00 0.00 C ATOM 0 H ALA A 63 3.870 2.264 10.844 1.00 0.00 H new ATOM 0 HA ALA A 63 4.635 3.743 8.544 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.193 3.964 8.243 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.660 2.293 8.637 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.940 3.334 9.888 1.00 0.00 H new ATOM 1019 N LYS A 64 3.410 5.462 11.087 1.00 0.00 N ATOM 1020 CA LYS A 64 3.346 6.801 11.669 1.00 0.00 C ATOM 1021 C LYS A 64 4.747 7.374 11.845 1.00 0.00 C ATOM 1022 O LYS A 64 4.951 8.583 11.717 1.00 0.00 O ATOM 1023 CB LYS A 64 2.628 6.767 13.024 1.00 0.00 C ATOM 1024 CG LYS A 64 3.202 5.733 13.966 1.00 0.00 C ATOM 1025 CD LYS A 64 2.600 5.806 15.358 1.00 0.00 C ATOM 1026 CE LYS A 64 3.192 6.946 16.165 1.00 0.00 C ATOM 1027 NZ LYS A 64 2.863 6.817 17.607 1.00 0.00 N1+ ATOM 0 H LYS A 64 3.026 4.726 11.680 1.00 0.00 H new ATOM 0 HA LYS A 64 2.784 7.439 10.987 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.693 7.751 13.489 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.570 6.559 12.864 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.032 4.738 13.553 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.281 5.870 14.034 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.521 5.936 15.281 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.771 4.864 15.879 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.274 6.961 16.037 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.814 7.896 15.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.282 7.611 18.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.830 6.828 17.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.246 5.921 17.972 1.00 0.00 H new ATOM 1041 N ALA A 65 5.703 6.500 12.147 1.00 0.00 N ATOM 1042 CA ALA A 65 7.092 6.902 12.307 1.00 0.00 C ATOM 1043 C ALA A 65 7.672 7.369 10.979 1.00 0.00 C ATOM 1044 O ALA A 65 8.338 8.406 10.914 1.00 0.00 O ATOM 1045 CB ALA A 65 7.917 5.760 12.880 1.00 0.00 C ATOM 0 H ALA A 65 5.537 5.503 12.286 1.00 0.00 H new ATOM 0 HA ALA A 65 7.128 7.736 13.008 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.953 6.080 12.992 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.518 5.475 13.853 1.00 0.00 H new ATOM 0 HB3 ALA A 65 7.873 4.905 12.205 1.00 0.00 H new ATOM 1051 N ASP A 66 7.405 6.614 9.917 1.00 0.00 N ATOM 1052 CA ASP A 66 7.874 6.990 8.589 1.00 0.00 C ATOM 1053 C ASP A 66 7.167 8.259 8.142 1.00 0.00 C ATOM 1054 O ASP A 66 7.786 9.168 7.600 1.00 0.00 O ATOM 1055 CB ASP A 66 7.628 5.874 7.575 1.00 0.00 C ATOM 1056 CG ASP A 66 8.576 5.954 6.389 1.00 0.00 C ATOM 1057 OD1 ASP A 66 9.030 7.063 6.047 1.00 0.00 O1- ATOM 1058 OD2 ASP A 66 8.920 4.895 5.828 1.00 0.00 O ATOM 0 H ASP A 66 6.871 5.746 9.950 1.00 0.00 H new ATOM 0 HA ASP A 66 8.949 7.164 8.642 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.744 4.908 8.066 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.599 5.929 7.219 1.00 0.00 H new ATOM 1063 N LYS A 67 5.866 8.325 8.394 1.00 0.00 N ATOM 1064 CA LYS A 67 5.098 9.521 8.100 1.00 0.00 C ATOM 1065 C LYS A 67 5.700 10.732 8.800 1.00 0.00 C ATOM 1066 O LYS A 67 5.823 11.790 8.202 1.00 0.00 O ATOM 1067 CB LYS A 67 3.631 9.344 8.511 1.00 0.00 C ATOM 1068 CG LYS A 67 2.801 10.610 8.346 1.00 0.00 C ATOM 1069 CD LYS A 67 1.311 10.355 8.519 1.00 0.00 C ATOM 1070 CE LYS A 67 0.984 9.747 9.874 1.00 0.00 C ATOM 1071 NZ LYS A 67 -0.486 9.685 10.108 1.00 0.00 N1+ ATOM 0 H LYS A 67 5.324 7.563 8.801 1.00 0.00 H new ATOM 0 HA LYS A 67 5.135 9.688 7.023 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.188 8.547 7.914 1.00 0.00 H new ATOM 0 HB3 LYS A 67 3.589 9.024 9.552 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.127 11.352 9.075 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.982 11.033 7.358 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.768 11.293 8.403 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.965 9.687 7.730 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.405 8.743 9.934 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.454 10.337 10.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.672 9.265 11.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.884 10.645 10.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -0.931 9.101 9.371 1.00 0.00 H new ATOM 1085 N ALA A 68 6.100 10.561 10.054 1.00 0.00 N ATOM 1086 CA ALA A 68 6.674 11.658 10.827 1.00 0.00 C ATOM 1087 C ALA A 68 7.969 12.165 10.197 1.00 0.00 C ATOM 1088 O ALA A 68 8.130 13.368 9.993 1.00 0.00 O ATOM 1089 CB ALA A 68 6.919 11.225 12.266 1.00 0.00 C ATOM 0 H ALA A 68 6.038 9.676 10.557 1.00 0.00 H new ATOM 0 HA ALA A 68 5.956 12.478 10.824 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.347 12.055 12.828 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.975 10.927 12.722 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.611 10.383 12.280 1.00 0.00 H new ATOM 1095 N ARG A 69 8.886 11.250 9.879 1.00 0.00 N ATOM 1096 CA ARG A 69 10.155 11.636 9.259 1.00 0.00 C ATOM 1097 C ARG A 69 9.910 12.198 7.859 1.00 0.00 C ATOM 1098 O ARG A 69 10.649 13.063 7.386 1.00 0.00 O ATOM 1099 CB ARG A 69 11.144 10.460 9.211 1.00 0.00 C ATOM 1100 CG ARG A 69 10.674 9.263 8.397 1.00 0.00 C ATOM 1101 CD ARG A 69 11.694 8.134 8.423 1.00 0.00 C ATOM 1102 NE ARG A 69 11.234 6.950 7.691 1.00 0.00 N ATOM 1103 CZ ARG A 69 11.770 5.734 7.819 1.00 0.00 C ATOM 1104 NH1 ARG A 69 12.805 5.543 8.625 1.00 0.00 N1+ ATOM 1105 NH2 ARG A 69 11.274 4.705 7.144 1.00 0.00 N ATOM 0 H ARG A 69 8.777 10.248 10.038 1.00 0.00 H new ATOM 0 HA ARG A 69 10.606 12.414 9.875 1.00 0.00 H new ATOM 0 HB2 ARG A 69 12.088 10.814 8.798 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.346 10.132 10.231 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.723 8.905 8.791 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.496 9.570 7.366 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.631 8.484 7.990 1.00 0.00 H new ATOM 0 HD3 ARG A 69 11.903 7.860 9.457 1.00 0.00 H new ATOM 0 HE ARG A 69 10.455 7.062 7.043 1.00 0.00 H new ATOM 0 HH11 ARG A 69 13.194 6.326 9.150 1.00 0.00 H new ATOM 0 HH12 ARG A 69 13.212 4.613 8.721 1.00 0.00 H new ATOM 0 HH21 ARG A 69 10.477 4.840 6.522 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.689 3.779 7.248 1.00 0.00 H new ATOM 1119 N TYR A 70 8.857 11.707 7.216 1.00 0.00 N ATOM 1120 CA TYR A 70 8.420 12.224 5.936 1.00 0.00 C ATOM 1121 C TYR A 70 7.919 13.656 6.083 1.00 0.00 C ATOM 1122 O TYR A 70 8.339 14.542 5.352 1.00 0.00 O ATOM 1123 CB TYR A 70 7.311 11.332 5.380 1.00 0.00 C ATOM 1124 CG TYR A 70 6.699 11.838 4.103 1.00 0.00 C ATOM 1125 CD1 TYR A 70 7.370 11.706 2.903 1.00 0.00 C ATOM 1126 CD2 TYR A 70 5.452 12.438 4.098 1.00 0.00 C ATOM 1127 CE1 TYR A 70 6.818 12.157 1.725 1.00 0.00 C ATOM 1128 CE2 TYR A 70 4.890 12.895 2.928 1.00 0.00 C ATOM 1129 CZ TYR A 70 5.577 12.751 1.741 1.00 0.00 C ATOM 1130 OH TYR A 70 5.022 13.200 0.566 1.00 0.00 O ATOM 0 H TYR A 70 8.286 10.940 7.572 1.00 0.00 H new ATOM 0 HA TYR A 70 9.263 12.225 5.245 1.00 0.00 H new ATOM 0 HB2 TYR A 70 7.714 10.334 5.207 1.00 0.00 H new ATOM 0 HB3 TYR A 70 6.528 11.233 6.132 1.00 0.00 H new ATOM 0 HD1 TYR A 70 8.345 11.241 2.888 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.912 12.549 5.026 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.355 12.045 0.795 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.917 13.364 2.939 1.00 0.00 H new ATOM 0 HH TYR A 70 5.306 14.124 0.402 1.00 0.00 H new ATOM 1140 N GLU A 71 7.026 13.870 7.044 1.00 0.00 N ATOM 1141 CA GLU A 71 6.471 15.184 7.326 1.00 0.00 C ATOM 1142 C GLU A 71 7.585 16.189 7.613 1.00 0.00 C ATOM 1143 O GLU A 71 7.511 17.350 7.205 1.00 0.00 O ATOM 1144 CB GLU A 71 5.525 15.076 8.523 1.00 0.00 C ATOM 1145 CG GLU A 71 4.276 14.247 8.252 1.00 0.00 C ATOM 1146 CD GLU A 71 3.277 14.944 7.353 1.00 0.00 C ATOM 1147 OE1 GLU A 71 2.475 15.747 7.872 1.00 0.00 O ATOM 1148 OE2 GLU A 71 3.259 14.669 6.136 1.00 0.00 O1- ATOM 0 H GLU A 71 6.667 13.132 7.650 1.00 0.00 H new ATOM 0 HA GLU A 71 5.919 15.539 6.456 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.065 14.637 9.362 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.224 16.079 8.827 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.568 13.302 7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.795 14.007 9.200 1.00 0.00 H new ATOM 1155 N ARG A 72 8.624 15.724 8.303 1.00 0.00 N ATOM 1156 CA ARG A 72 9.786 16.554 8.607 1.00 0.00 C ATOM 1157 C ARG A 72 10.422 17.092 7.331 1.00 0.00 C ATOM 1158 O ARG A 72 10.600 18.300 7.174 1.00 0.00 O ATOM 1159 CB ARG A 72 10.838 15.754 9.380 1.00 0.00 C ATOM 1160 CG ARG A 72 10.394 15.268 10.747 1.00 0.00 C ATOM 1161 CD ARG A 72 10.021 16.415 11.665 1.00 0.00 C ATOM 1162 NE ARG A 72 9.942 15.984 13.056 1.00 0.00 N ATOM 1163 CZ ARG A 72 8.893 16.183 13.849 1.00 0.00 C ATOM 1164 NH1 ARG A 72 7.797 16.770 13.380 1.00 0.00 N1+ ATOM 1165 NH2 ARG A 72 8.939 15.789 15.112 1.00 0.00 N ATOM 0 H ARG A 72 8.684 14.772 8.664 1.00 0.00 H new ATOM 0 HA ARG A 72 9.438 17.387 9.217 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.130 14.891 8.781 1.00 0.00 H new ATOM 0 HB3 ARG A 72 11.727 16.373 9.502 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.539 14.601 10.634 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.195 14.685 11.202 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.759 17.212 11.571 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.062 16.831 11.357 1.00 0.00 H new ATOM 0 HE ARG A 72 10.747 15.496 13.448 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.757 17.071 12.406 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.996 16.919 13.994 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.777 15.334 15.474 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.136 15.940 15.723 1.00 0.00 H new ATOM 1179 N GLU A 73 10.752 16.190 6.416 1.00 0.00 N ATOM 1180 CA GLU A 73 11.460 16.570 5.202 1.00 0.00 C ATOM 1181 C GLU A 73 10.499 17.073 4.130 1.00 0.00 C ATOM 1182 O GLU A 73 10.919 17.702 3.170 1.00 0.00 O ATOM 1183 CB GLU A 73 12.292 15.399 4.673 1.00 0.00 C ATOM 1184 CG GLU A 73 11.473 14.180 4.282 1.00 0.00 C ATOM 1185 CD GLU A 73 12.340 13.029 3.824 1.00 0.00 C ATOM 1186 OE1 GLU A 73 13.030 13.176 2.792 1.00 0.00 O ATOM 1187 OE2 GLU A 73 12.337 11.975 4.487 1.00 0.00 O1- ATOM 0 H GLU A 73 10.542 15.195 6.491 1.00 0.00 H new ATOM 0 HA GLU A 73 12.134 17.389 5.454 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.861 15.734 3.806 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.015 15.108 5.435 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.870 13.862 5.133 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.781 14.451 3.484 1.00 0.00 H new ATOM 1194 N MET A 74 9.215 16.804 4.297 1.00 0.00 N ATOM 1195 CA MET A 74 8.206 17.311 3.374 1.00 0.00 C ATOM 1196 C MET A 74 8.105 18.826 3.491 1.00 0.00 C ATOM 1197 O MET A 74 7.760 19.517 2.533 1.00 0.00 O ATOM 1198 CB MET A 74 6.841 16.674 3.658 1.00 0.00 C ATOM 1199 CG MET A 74 5.728 17.139 2.723 1.00 0.00 C ATOM 1200 SD MET A 74 5.555 16.126 1.232 1.00 0.00 S ATOM 1201 CE MET A 74 7.150 16.329 0.439 1.00 0.00 C ATOM 0 H MET A 74 8.844 16.239 5.061 1.00 0.00 H new ATOM 0 HA MET A 74 8.506 17.048 2.360 1.00 0.00 H new ATOM 0 HB2 MET A 74 6.935 15.591 3.582 1.00 0.00 H new ATOM 0 HB3 MET A 74 6.555 16.898 4.686 1.00 0.00 H new ATOM 0 HG2 MET A 74 4.783 17.133 3.267 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.920 18.171 2.430 1.00 0.00 H new ATOM 0 HE1 MET A 74 7.063 16.089 -0.621 1.00 0.00 H new ATOM 0 HE2 MET A 74 7.483 17.361 0.551 1.00 0.00 H new ATOM 0 HE3 MET A 74 7.875 15.661 0.904 1.00 0.00 H new ATOM 1211 N LYS A 75 8.409 19.336 4.676 1.00 0.00 N ATOM 1212 CA LYS A 75 8.394 20.771 4.918 1.00 0.00 C ATOM 1213 C LYS A 75 9.502 21.474 4.140 1.00 0.00 C ATOM 1214 O LYS A 75 9.354 22.628 3.740 1.00 0.00 O ATOM 1215 CB LYS A 75 8.546 21.056 6.414 1.00 0.00 C ATOM 1216 CG LYS A 75 7.340 20.641 7.244 1.00 0.00 C ATOM 1217 CD LYS A 75 6.115 21.486 6.920 1.00 0.00 C ATOM 1218 CE LYS A 75 6.099 22.810 7.679 1.00 0.00 C ATOM 1219 NZ LYS A 75 7.270 23.674 7.362 1.00 0.00 N1+ ATOM 0 H LYS A 75 8.670 18.775 5.487 1.00 0.00 H new ATOM 0 HA LYS A 75 7.436 21.160 4.573 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.428 20.535 6.786 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.723 22.122 6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 75 7.116 19.590 7.060 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.578 20.736 8.304 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.088 21.685 5.849 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.214 20.922 7.162 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.182 23.348 7.441 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.082 22.609 8.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.074 24.649 7.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.109 23.319 7.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.446 23.658 6.337 1.00 0.00 H new ATOM 1233 N THR A 76 10.608 20.775 3.926 1.00 0.00 N ATOM 1234 CA THR A 76 11.749 21.349 3.229 1.00 0.00 C ATOM 1235 C THR A 76 11.789 20.922 1.766 1.00 0.00 C ATOM 1236 O THR A 76 12.163 21.704 0.889 1.00 0.00 O ATOM 1237 CB THR A 76 13.063 20.938 3.900 1.00 0.00 C ATOM 1238 OG1 THR A 76 13.021 19.545 4.244 1.00 0.00 O ATOM 1239 CG2 THR A 76 13.323 21.766 5.145 1.00 0.00 C ATOM 0 H THR A 76 10.739 19.809 4.226 1.00 0.00 H new ATOM 0 HA THR A 76 11.634 22.432 3.278 1.00 0.00 H new ATOM 0 HB THR A 76 13.875 21.115 3.195 1.00 0.00 H new ATOM 0 HG1 THR A 76 13.865 19.288 4.671 1.00 0.00 H new ATOM 0 HG21 THR A 76 14.262 21.453 5.601 1.00 0.00 H new ATOM 0 HG22 THR A 76 13.385 22.820 4.875 1.00 0.00 H new ATOM 0 HG23 THR A 76 12.509 21.621 5.855 1.00 0.00 H new ATOM 1247 N TYR A 77 11.416 19.679 1.509 1.00 0.00 N ATOM 1248 CA TYR A 77 11.381 19.157 0.157 1.00 0.00 C ATOM 1249 C TYR A 77 10.029 19.425 -0.482 1.00 0.00 C ATOM 1250 O TYR A 77 9.020 18.832 -0.106 1.00 0.00 O ATOM 1251 CB TYR A 77 11.673 17.653 0.140 1.00 0.00 C ATOM 1252 CG TYR A 77 11.544 17.046 -1.239 1.00 0.00 C ATOM 1253 CD1 TYR A 77 12.495 17.300 -2.217 1.00 0.00 C ATOM 1254 CD2 TYR A 77 10.459 16.243 -1.573 1.00 0.00 C ATOM 1255 CE1 TYR A 77 12.372 16.771 -3.483 1.00 0.00 C ATOM 1256 CE2 TYR A 77 10.330 15.715 -2.837 1.00 0.00 C ATOM 1257 CZ TYR A 77 11.288 15.982 -3.787 1.00 0.00 C ATOM 1258 OH TYR A 77 11.163 15.457 -5.047 1.00 0.00 O ATOM 0 H TYR A 77 11.132 19.011 2.225 1.00 0.00 H new ATOM 0 HA TYR A 77 12.155 19.667 -0.417 1.00 0.00 H new ATOM 0 HB2 TYR A 77 12.681 17.479 0.515 1.00 0.00 H new ATOM 0 HB3 TYR A 77 10.988 17.147 0.820 1.00 0.00 H new ATOM 0 HD1 TYR A 77 13.346 17.923 -1.982 1.00 0.00 H new ATOM 0 HD2 TYR A 77 9.706 16.030 -0.829 1.00 0.00 H new ATOM 0 HE1 TYR A 77 13.123 16.975 -4.232 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.481 15.094 -3.082 1.00 0.00 H new ATOM 0 HH TYR A 77 11.849 14.771 -5.185 1.00 0.00 H new ATOM 1268 N ILE A 78 10.015 20.331 -1.437 1.00 0.00 N ATOM 1269 CA ILE A 78 8.814 20.616 -2.192 1.00 0.00 C ATOM 1270 C ILE A 78 8.986 20.111 -3.622 1.00 0.00 C ATOM 1271 O ILE A 78 9.754 20.683 -4.399 1.00 0.00 O ATOM 1272 CB ILE A 78 8.467 22.129 -2.196 1.00 0.00 C ATOM 1273 CG1 ILE A 78 8.164 22.644 -0.776 1.00 0.00 C ATOM 1274 CG2 ILE A 78 7.279 22.396 -3.110 1.00 0.00 C ATOM 1275 CD1 ILE A 78 9.389 22.892 0.087 1.00 0.00 C ATOM 0 H ILE A 78 10.827 20.885 -1.710 1.00 0.00 H new ATOM 0 HA ILE A 78 7.984 20.100 -1.710 1.00 0.00 H new ATOM 0 HB ILE A 78 9.338 22.667 -2.571 1.00 0.00 H new ATOM 0 HG12 ILE A 78 7.598 23.572 -0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.522 21.921 -0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.047 23.461 -3.103 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.524 22.085 -4.125 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.415 21.834 -2.757 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.077 23.252 1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 78 9.947 21.963 0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.024 23.639 -0.389 1.00 0.00 H new ATOM 1287 N PRO A 79 8.314 18.997 -3.958 1.00 0.00 N ATOM 1288 CA PRO A 79 8.390 18.379 -5.288 1.00 0.00 C ATOM 1289 C PRO A 79 8.190 19.376 -6.432 1.00 0.00 C ATOM 1290 O PRO A 79 7.277 20.206 -6.396 1.00 0.00 O ATOM 1291 CB PRO A 79 7.248 17.364 -5.268 1.00 0.00 C ATOM 1292 CG PRO A 79 7.089 17.001 -3.834 1.00 0.00 C ATOM 1293 CD PRO A 79 7.435 18.234 -3.048 1.00 0.00 C ATOM 0 HA PRO A 79 9.374 17.947 -5.469 1.00 0.00 H new ATOM 0 HB2 PRO A 79 6.331 17.792 -5.672 1.00 0.00 H new ATOM 0 HB3 PRO A 79 7.485 16.489 -5.874 1.00 0.00 H new ATOM 0 HG2 PRO A 79 6.069 16.680 -3.625 1.00 0.00 H new ATOM 0 HG3 PRO A 79 7.745 16.173 -3.567 1.00 0.00 H new ATOM 0 HD2 PRO A 79 6.544 18.803 -2.783 1.00 0.00 H new ATOM 0 HD3 PRO A 79 7.943 17.985 -2.116 1.00 0.00 H new ATOM 1301 N PRO A 80 9.054 19.299 -7.457 1.00 0.00 N ATOM 1302 CA PRO A 80 8.990 20.177 -8.632 1.00 0.00 C ATOM 1303 C PRO A 80 7.709 19.968 -9.435 1.00 0.00 C ATOM 1304 O PRO A 80 7.208 18.846 -9.548 1.00 0.00 O ATOM 1305 CB PRO A 80 10.217 19.771 -9.463 1.00 0.00 C ATOM 1306 CG PRO A 80 11.091 19.009 -8.528 1.00 0.00 C ATOM 1307 CD PRO A 80 10.166 18.345 -7.553 1.00 0.00 C ATOM 0 HA PRO A 80 8.987 21.230 -8.351 1.00 0.00 H new ATOM 0 HB2 PRO A 80 9.928 19.159 -10.318 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.732 20.647 -9.857 1.00 0.00 H new ATOM 0 HG2 PRO A 80 11.688 18.272 -9.064 1.00 0.00 H new ATOM 0 HG3 PRO A 80 11.788 19.672 -8.016 1.00 0.00 H new ATOM 0 HD2 PRO A 80 9.833 17.371 -7.911 1.00 0.00 H new ATOM 0 HD3 PRO A 80 10.645 18.183 -6.587 1.00 0.00 H new ATOM 1315 N LYS A 81 7.185 21.050 -9.990 1.00 0.00 N ATOM 1316 CA LYS A 81 5.933 20.994 -10.730 1.00 0.00 C ATOM 1317 C LYS A 81 6.195 21.085 -12.230 1.00 0.00 C ATOM 1318 O LYS A 81 6.437 22.170 -12.762 1.00 0.00 O ATOM 1319 CB LYS A 81 5.006 22.131 -10.291 1.00 0.00 C ATOM 1320 CG LYS A 81 4.830 22.233 -8.782 1.00 0.00 C ATOM 1321 CD LYS A 81 4.123 21.015 -8.216 1.00 0.00 C ATOM 1322 CE LYS A 81 4.124 21.031 -6.695 1.00 0.00 C ATOM 1323 NZ LYS A 81 3.542 22.286 -6.150 1.00 0.00 N1+ ATOM 0 H LYS A 81 7.607 21.977 -9.942 1.00 0.00 H new ATOM 0 HA LYS A 81 5.449 20.041 -10.517 1.00 0.00 H new ATOM 0 HB2 LYS A 81 5.402 23.075 -10.666 1.00 0.00 H new ATOM 0 HB3 LYS A 81 4.029 21.989 -10.753 1.00 0.00 H new ATOM 0 HG2 LYS A 81 5.806 22.340 -8.308 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.259 23.130 -8.542 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.096 20.986 -8.581 1.00 0.00 H new ATOM 0 HD3 LYS A 81 4.613 20.109 -8.572 1.00 0.00 H new ATOM 0 HE2 LYS A 81 3.557 20.177 -6.323 1.00 0.00 H new ATOM 0 HE3 LYS A 81 5.146 20.918 -6.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.405 22.188 -5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 4.188 23.079 -6.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 2.625 22.470 -6.605 1.00 0.00 H new ATOM 1337 N GLY A 82 6.157 19.947 -12.905 1.00 0.00 N ATOM 1338 CA GLY A 82 6.412 19.929 -14.329 1.00 0.00 C ATOM 1339 C GLY A 82 5.804 18.720 -14.995 1.00 0.00 C ATOM 1340 O GLY A 82 6.406 18.121 -15.889 1.00 0.00 O ATOM 0 H GLY A 82 5.954 19.036 -12.493 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.007 20.834 -14.782 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.488 19.938 -14.505 1.00 0.00 H new ATOM 1344 N GLU A 83 4.607 18.359 -14.560 1.00 0.00 N ATOM 1345 CA GLU A 83 3.918 17.196 -15.098 1.00 0.00 C ATOM 1346 C GLU A 83 3.053 17.596 -16.286 1.00 0.00 C ATOM 1347 O GLU A 83 2.608 18.746 -16.383 1.00 0.00 O ATOM 1348 CB GLU A 83 3.049 16.520 -14.026 1.00 0.00 C ATOM 1349 CG GLU A 83 3.827 15.981 -12.828 1.00 0.00 C ATOM 1350 CD GLU A 83 4.311 17.072 -11.891 1.00 0.00 C ATOM 1351 OE1 GLU A 83 3.486 17.620 -11.133 1.00 0.00 O ATOM 1352 OE2 GLU A 83 5.517 17.384 -11.906 1.00 0.00 O1- ATOM 0 H GLU A 83 4.091 18.856 -13.834 1.00 0.00 H new ATOM 0 HA GLU A 83 4.674 16.483 -15.427 1.00 0.00 H new ATOM 0 HB2 GLU A 83 2.310 17.237 -13.670 1.00 0.00 H new ATOM 0 HB3 GLU A 83 2.500 15.698 -14.486 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.194 15.289 -12.273 1.00 0.00 H new ATOM 0 HG3 GLU A 83 4.685 15.411 -13.186 1.00 0.00 H new TER 1359 GLU A 83 ATOM 1360 N LEU B 14 -17.978 15.269 -7.835 1.00 0.00 N ATOM 1361 CA LEU B 14 -19.193 15.942 -8.278 1.00 0.00 C ATOM 1362 C LEU B 14 -20.424 15.114 -7.931 1.00 0.00 C ATOM 1363 O LEU B 14 -20.418 13.891 -8.064 1.00 0.00 O ATOM 1364 CB LEU B 14 -19.154 16.204 -9.792 1.00 0.00 C ATOM 1365 CG LEU B 14 -18.326 17.417 -10.249 1.00 0.00 C ATOM 1366 CD1 LEU B 14 -18.836 18.690 -9.591 1.00 0.00 C ATOM 1367 CD2 LEU B 14 -16.845 17.220 -9.956 1.00 0.00 C ATOM 0 HA LEU B 14 -19.251 16.898 -7.758 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -18.760 15.315 -10.284 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -20.177 16.335 -10.144 1.00 0.00 H new ATOM 0 HG LEU B 14 -18.442 17.512 -11.329 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -18.238 19.538 -9.926 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -19.878 18.850 -9.867 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -18.757 18.596 -8.508 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -16.288 18.095 -10.291 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -16.701 17.087 -8.884 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -16.484 16.337 -10.483 1.00 0.00 H new ATOM 1379 N SER B 15 -21.480 15.794 -7.503 1.00 0.00 N ATOM 1380 CA SER B 15 -22.737 15.140 -7.153 1.00 0.00 C ATOM 1381 C SER B 15 -23.349 14.439 -8.368 1.00 0.00 C ATOM 1382 O SER B 15 -24.221 13.575 -8.238 1.00 0.00 O ATOM 1383 CB SER B 15 -23.713 16.186 -6.618 1.00 0.00 C ATOM 1384 OG SER B 15 -23.046 17.116 -5.777 1.00 0.00 O ATOM 0 H SER B 15 -21.491 16.808 -7.389 1.00 0.00 H new ATOM 0 HA SER B 15 -22.539 14.387 -6.390 1.00 0.00 H new ATOM 0 HB2 SER B 15 -24.181 16.712 -7.450 1.00 0.00 H new ATOM 0 HB3 SER B 15 -24.511 15.694 -6.062 1.00 0.00 H new ATOM 0 HG SER B 15 -23.689 17.778 -5.447 1.00 0.00 H new ATOM 1390 N GLN B 16 -22.857 14.802 -9.550 1.00 0.00 N ATOM 1391 CA GLN B 16 -23.401 14.314 -10.810 1.00 0.00 C ATOM 1392 C GLN B 16 -23.200 12.809 -10.978 1.00 0.00 C ATOM 1393 O GLN B 16 -23.821 12.200 -11.844 1.00 0.00 O ATOM 1394 CB GLN B 16 -22.756 15.054 -11.982 1.00 0.00 C ATOM 1395 CG GLN B 16 -22.941 16.562 -11.924 1.00 0.00 C ATOM 1396 CD GLN B 16 -22.393 17.260 -13.152 1.00 0.00 C ATOM 1397 OE1 GLN B 16 -22.387 16.700 -14.248 1.00 0.00 O ATOM 1398 NE2 GLN B 16 -21.919 18.484 -12.979 1.00 0.00 N ATOM 0 H GLN B 16 -22.071 15.442 -9.659 1.00 0.00 H new ATOM 0 HA GLN B 16 -24.474 14.506 -10.797 1.00 0.00 H new ATOM 0 HB2 GLN B 16 -21.690 14.827 -12.002 1.00 0.00 H new ATOM 0 HB3 GLN B 16 -23.179 14.680 -12.914 1.00 0.00 H new ATOM 0 HG2 GLN B 16 -24.002 16.791 -11.822 1.00 0.00 H new ATOM 0 HG3 GLN B 16 -22.444 16.952 -11.036 1.00 0.00 H new ATOM 0 HE21 GLN B 16 -21.942 18.914 -12.054 1.00 0.00 H new ATOM 0 HE22 GLN B 16 -21.531 18.997 -13.770 1.00 0.00 H new ATOM 1407 N GLU B 17 -22.353 12.211 -10.141 1.00 0.00 N ATOM 1408 CA GLU B 17 -22.088 10.773 -10.218 1.00 0.00 C ATOM 1409 C GLU B 17 -23.366 9.960 -9.983 1.00 0.00 C ATOM 1410 O GLU B 17 -23.490 8.827 -10.457 1.00 0.00 O ATOM 1411 CB GLU B 17 -21.009 10.362 -9.210 1.00 0.00 C ATOM 1412 CG GLU B 17 -21.337 10.728 -7.772 1.00 0.00 C ATOM 1413 CD GLU B 17 -20.401 10.078 -6.774 1.00 0.00 C ATOM 1414 OE1 GLU B 17 -19.284 10.597 -6.569 1.00 0.00 O ATOM 1415 OE2 GLU B 17 -20.786 9.048 -6.179 1.00 0.00 O1- ATOM 0 H GLU B 17 -21.840 12.696 -9.405 1.00 0.00 H new ATOM 0 HA GLU B 17 -21.726 10.559 -11.224 1.00 0.00 H new ATOM 0 HB2 GLU B 17 -20.857 9.285 -9.275 1.00 0.00 H new ATOM 0 HB3 GLU B 17 -20.067 10.834 -9.489 1.00 0.00 H new ATOM 0 HG2 GLU B 17 -21.288 11.811 -7.657 1.00 0.00 H new ATOM 0 HG3 GLU B 17 -22.362 10.430 -7.550 1.00 0.00 H new ATOM 1422 N THR B 18 -24.310 10.537 -9.248 1.00 0.00 N ATOM 1423 CA THR B 18 -25.596 9.894 -9.025 1.00 0.00 C ATOM 1424 C THR B 18 -26.581 10.289 -10.123 1.00 0.00 C ATOM 1425 O THR B 18 -27.334 9.458 -10.632 1.00 0.00 O ATOM 1426 CB THR B 18 -26.187 10.285 -7.658 1.00 0.00 C ATOM 1427 OG1 THR B 18 -25.161 10.251 -6.652 1.00 0.00 O ATOM 1428 CG2 THR B 18 -27.316 9.342 -7.265 1.00 0.00 C ATOM 0 H THR B 18 -24.208 11.447 -8.798 1.00 0.00 H new ATOM 0 HA THR B 18 -25.432 8.817 -9.042 1.00 0.00 H new ATOM 0 HB THR B 18 -26.588 11.295 -7.737 1.00 0.00 H new ATOM 0 HG1 THR B 18 -25.544 10.502 -5.786 1.00 0.00 H new ATOM 0 HG21 THR B 18 -27.717 9.639 -6.296 1.00 0.00 H new ATOM 0 HG22 THR B 18 -28.106 9.388 -8.014 1.00 0.00 H new ATOM 0 HG23 THR B 18 -26.934 8.323 -7.203 1.00 0.00 H new ATOM 1436 N PHE B 19 -26.543 11.562 -10.501 1.00 0.00 N ATOM 1437 CA PHE B 19 -27.476 12.110 -11.479 1.00 0.00 C ATOM 1438 C PHE B 19 -27.246 11.519 -12.866 1.00 0.00 C ATOM 1439 O PHE B 19 -28.177 11.425 -13.669 1.00 0.00 O ATOM 1440 CB PHE B 19 -27.361 13.635 -11.528 1.00 0.00 C ATOM 1441 CG PHE B 19 -27.832 14.322 -10.275 1.00 0.00 C ATOM 1442 CD1 PHE B 19 -29.177 14.595 -10.086 1.00 0.00 C ATOM 1443 CD2 PHE B 19 -26.931 14.700 -9.290 1.00 0.00 C ATOM 1444 CE1 PHE B 19 -29.616 15.230 -8.940 1.00 0.00 C ATOM 1445 CE2 PHE B 19 -27.364 15.337 -8.143 1.00 0.00 C ATOM 1446 CZ PHE B 19 -28.708 15.602 -7.968 1.00 0.00 C ATOM 0 H PHE B 19 -25.870 12.239 -10.141 1.00 0.00 H new ATOM 0 HA PHE B 19 -28.483 11.838 -11.164 1.00 0.00 H new ATOM 0 HB2 PHE B 19 -26.321 13.906 -11.710 1.00 0.00 H new ATOM 0 HB3 PHE B 19 -27.940 14.006 -12.374 1.00 0.00 H new ATOM 0 HD1 PHE B 19 -29.891 14.308 -10.844 1.00 0.00 H new ATOM 0 HD2 PHE B 19 -25.879 14.494 -9.421 1.00 0.00 H new ATOM 0 HE1 PHE B 19 -30.668 15.435 -8.805 1.00 0.00 H new ATOM 0 HE2 PHE B 19 -26.652 15.627 -7.384 1.00 0.00 H new ATOM 0 HZ PHE B 19 -29.049 16.100 -7.072 1.00 0.00 H new ATOM 1456 N SER B 20 -26.013 11.120 -13.143 1.00 0.00 N ATOM 1457 CA SER B 20 -25.674 10.533 -14.429 1.00 0.00 C ATOM 1458 C SER B 20 -26.407 9.209 -14.638 1.00 0.00 C ATOM 1459 O SER B 20 -26.836 8.890 -15.744 1.00 0.00 O ATOM 1460 CB SER B 20 -24.160 10.318 -14.522 1.00 0.00 C ATOM 1461 OG SER B 20 -23.680 9.593 -13.400 1.00 0.00 O ATOM 0 H SER B 20 -25.231 11.193 -12.493 1.00 0.00 H new ATOM 0 HA SER B 20 -25.988 11.222 -15.213 1.00 0.00 H new ATOM 0 HB2 SER B 20 -23.921 9.778 -15.438 1.00 0.00 H new ATOM 0 HB3 SER B 20 -23.655 11.282 -14.580 1.00 0.00 H new ATOM 0 HG SER B 20 -23.505 10.212 -12.661 1.00 0.00 H new ATOM 1467 N ASP B 21 -26.580 8.450 -13.567 1.00 0.00 N ATOM 1468 CA ASP B 21 -27.202 7.134 -13.669 1.00 0.00 C ATOM 1469 C ASP B 21 -28.717 7.238 -13.655 1.00 0.00 C ATOM 1470 O ASP B 21 -29.418 6.246 -13.849 1.00 0.00 O ATOM 1471 CB ASP B 21 -26.717 6.205 -12.554 1.00 0.00 C ATOM 1472 CG ASP B 21 -25.892 5.050 -13.092 1.00 0.00 C ATOM 1473 OD1 ASP B 21 -24.709 5.267 -13.432 1.00 0.00 O1- ATOM 1474 OD2 ASP B 21 -26.426 3.924 -13.191 1.00 0.00 O ATOM 0 H ASP B 21 -26.302 8.718 -12.623 1.00 0.00 H new ATOM 0 HA ASP B 21 -26.901 6.704 -14.624 1.00 0.00 H new ATOM 0 HB2 ASP B 21 -26.121 6.775 -11.842 1.00 0.00 H new ATOM 0 HB3 ASP B 21 -27.576 5.814 -12.009 1.00 0.00 H new ATOM 1479 N LEU B 22 -29.221 8.447 -13.451 1.00 0.00 N ATOM 1480 CA LEU B 22 -30.660 8.673 -13.445 1.00 0.00 C ATOM 1481 C LEU B 22 -31.237 8.540 -14.852 1.00 0.00 C ATOM 1482 O LEU B 22 -32.402 8.179 -15.022 1.00 0.00 O ATOM 1483 CB LEU B 22 -30.988 10.050 -12.863 1.00 0.00 C ATOM 1484 CG LEU B 22 -30.626 10.236 -11.385 1.00 0.00 C ATOM 1485 CD1 LEU B 22 -31.012 11.627 -10.916 1.00 0.00 C ATOM 1486 CD2 LEU B 22 -31.306 9.177 -10.529 1.00 0.00 C ATOM 0 H LEU B 22 -28.659 9.282 -13.288 1.00 0.00 H new ATOM 0 HA LEU B 22 -31.118 7.912 -12.813 1.00 0.00 H new ATOM 0 HB2 LEU B 22 -30.465 10.808 -13.447 1.00 0.00 H new ATOM 0 HB3 LEU B 22 -32.055 10.234 -12.985 1.00 0.00 H new ATOM 0 HG LEU B 22 -29.547 10.122 -11.278 1.00 0.00 H new ATOM 0 HD11 LEU B 22 -30.748 11.743 -9.865 1.00 0.00 H new ATOM 0 HD12 LEU B 22 -30.479 12.371 -11.508 1.00 0.00 H new ATOM 0 HD13 LEU B 22 -32.086 11.767 -11.038 1.00 0.00 H new ATOM 0 HD21 LEU B 22 -31.036 9.326 -9.483 1.00 0.00 H new ATOM 0 HD22 LEU B 22 -32.387 9.258 -10.640 1.00 0.00 H new ATOM 0 HD23 LEU B 22 -30.982 8.187 -10.850 1.00 0.00 H new ATOM 1498 N TRP B 23 -30.421 8.812 -15.863 1.00 0.00 N ATOM 1499 CA TRP B 23 -30.889 8.732 -17.243 1.00 0.00 C ATOM 1500 C TRP B 23 -30.297 7.529 -17.971 1.00 0.00 C ATOM 1501 O TRP B 23 -30.704 7.212 -19.084 1.00 0.00 O ATOM 1502 CB TRP B 23 -30.564 10.023 -18.007 1.00 0.00 C ATOM 1503 CG TRP B 23 -29.097 10.307 -18.143 1.00 0.00 C ATOM 1504 CD1 TRP B 23 -28.320 11.023 -17.281 1.00 0.00 C ATOM 1505 CD2 TRP B 23 -28.234 9.891 -19.210 1.00 0.00 C ATOM 1506 NE1 TRP B 23 -27.029 11.070 -17.742 1.00 0.00 N ATOM 1507 CE2 TRP B 23 -26.951 10.385 -18.923 1.00 0.00 C ATOM 1508 CE3 TRP B 23 -28.421 9.147 -20.378 1.00 0.00 C ATOM 1509 CZ2 TRP B 23 -25.860 10.159 -19.758 1.00 0.00 C ATOM 1510 CZ3 TRP B 23 -27.339 8.925 -21.208 1.00 0.00 C ATOM 1511 CH2 TRP B 23 -26.072 9.427 -20.892 1.00 0.00 C ATOM 0 H TRP B 23 -29.444 9.087 -15.757 1.00 0.00 H new ATOM 0 HA TRP B 23 -31.971 8.606 -17.209 1.00 0.00 H new ATOM 0 HB2 TRP B 23 -31.004 9.963 -19.002 1.00 0.00 H new ATOM 0 HB3 TRP B 23 -31.039 10.862 -17.498 1.00 0.00 H new ATOM 0 HD1 TRP B 23 -28.670 11.485 -16.370 1.00 0.00 H new ATOM 0 HE1 TRP B 23 -26.252 11.540 -17.278 1.00 0.00 H new ATOM 0 HE3 TRP B 23 -29.395 8.752 -20.628 1.00 0.00 H new ATOM 0 HZ2 TRP B 23 -24.882 10.548 -19.518 1.00 0.00 H new ATOM 0 HZ3 TRP B 23 -27.473 8.355 -22.115 1.00 0.00 H new ATOM 0 HH2 TRP B 23 -25.245 9.232 -21.558 1.00 0.00 H new ATOM 1522 N LYS B 24 -29.358 6.839 -17.333 1.00 0.00 N ATOM 1523 CA LYS B 24 -28.677 5.706 -17.964 1.00 0.00 C ATOM 1524 C LYS B 24 -29.560 4.456 -17.991 1.00 0.00 C ATOM 1525 O LYS B 24 -29.071 3.337 -18.149 1.00 0.00 O ATOM 1526 CB LYS B 24 -27.357 5.415 -17.243 1.00 0.00 C ATOM 1527 CG LYS B 24 -26.276 6.452 -17.521 1.00 0.00 C ATOM 1528 CD LYS B 24 -25.069 6.273 -16.611 1.00 0.00 C ATOM 1529 CE LYS B 24 -24.398 4.927 -16.806 1.00 0.00 C ATOM 1530 NZ LYS B 24 -23.389 4.667 -15.748 1.00 0.00 N1+ ATOM 0 H LYS B 24 -29.049 7.041 -16.382 1.00 0.00 H new ATOM 0 HA LYS B 24 -28.466 5.979 -18.998 1.00 0.00 H new ATOM 0 HB2 LYS B 24 -27.540 5.370 -16.169 1.00 0.00 H new ATOM 0 HB3 LYS B 24 -26.995 4.433 -17.546 1.00 0.00 H new ATOM 0 HG2 LYS B 24 -25.960 6.377 -18.562 1.00 0.00 H new ATOM 0 HG3 LYS B 24 -26.688 7.452 -17.384 1.00 0.00 H new ATOM 0 HD2 LYS B 24 -24.349 7.068 -16.806 1.00 0.00 H new ATOM 0 HD3 LYS B 24 -25.382 6.374 -15.572 1.00 0.00 H new ATOM 0 HE2 LYS B 24 -25.151 4.139 -16.795 1.00 0.00 H new ATOM 0 HE3 LYS B 24 -23.918 4.896 -17.784 1.00 0.00 H new ATOM 0 HZ1 LYS B 24 -23.320 3.643 -15.578 1.00 0.00 H new ATOM 0 HZ2 LYS B 24 -22.464 5.030 -16.054 1.00 0.00 H new ATOM 0 HZ3 LYS B 24 -23.675 5.145 -14.870 1.00 0.00 H new ATOM 1544 N LEU B 25 -30.865 4.657 -17.864 1.00 0.00 N ATOM 1545 CA LEU B 25 -31.825 3.569 -17.954 1.00 0.00 C ATOM 1546 C LEU B 25 -32.128 3.265 -19.416 1.00 0.00 C ATOM 1547 O LEU B 25 -32.630 2.191 -19.751 1.00 0.00 O ATOM 1548 CB LEU B 25 -33.114 3.940 -17.218 1.00 0.00 C ATOM 1549 CG LEU B 25 -32.944 4.246 -15.729 1.00 0.00 C ATOM 1550 CD1 LEU B 25 -34.279 4.633 -15.113 1.00 0.00 C ATOM 1551 CD2 LEU B 25 -32.353 3.048 -15.005 1.00 0.00 C ATOM 0 H LEU B 25 -31.284 5.572 -17.697 1.00 0.00 H new ATOM 0 HA LEU B 25 -31.398 2.682 -17.487 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -33.554 4.810 -17.704 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -33.825 3.121 -17.326 1.00 0.00 H new ATOM 0 HG LEU B 25 -32.257 5.086 -15.624 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -34.142 4.848 -14.053 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -34.668 5.518 -15.615 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -34.985 3.811 -15.228 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -32.239 3.283 -13.947 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -33.017 2.191 -15.117 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -31.378 2.810 -15.431 1.00 0.00 H new ATOM 1563 N LEU B 26 -31.818 4.224 -20.281 1.00 0.00 N ATOM 1564 CA LEU B 26 -32.028 4.059 -21.711 1.00 0.00 C ATOM 1565 C LEU B 26 -30.894 3.261 -22.341 1.00 0.00 C ATOM 1566 O LEU B 26 -29.779 3.235 -21.815 1.00 0.00 O ATOM 1567 CB LEU B 26 -32.168 5.426 -22.402 1.00 0.00 C ATOM 1568 CG LEU B 26 -31.137 6.497 -22.017 1.00 0.00 C ATOM 1569 CD1 LEU B 26 -29.797 6.250 -22.693 1.00 0.00 C ATOM 1570 CD2 LEU B 26 -31.659 7.880 -22.370 1.00 0.00 C ATOM 0 H LEU B 26 -31.420 5.125 -20.015 1.00 0.00 H new ATOM 0 HA LEU B 26 -32.955 3.503 -21.851 1.00 0.00 H new ATOM 0 HB2 LEU B 26 -32.113 5.271 -23.479 1.00 0.00 H new ATOM 0 HB3 LEU B 26 -33.163 5.817 -22.187 1.00 0.00 H new ATOM 0 HG LEU B 26 -30.981 6.439 -20.940 1.00 0.00 H new ATOM 0 HD11 LEU B 26 -29.092 7.027 -22.398 1.00 0.00 H new ATOM 0 HD12 LEU B 26 -29.411 5.276 -22.391 1.00 0.00 H new ATOM 0 HD13 LEU B 26 -29.926 6.270 -23.775 1.00 0.00 H new ATOM 0 HD21 LEU B 26 -30.919 8.630 -22.092 1.00 0.00 H new ATOM 0 HD22 LEU B 26 -31.847 7.935 -23.442 1.00 0.00 H new ATOM 0 HD23 LEU B 26 -32.587 8.068 -21.829 1.00 0.00 H new ATOM 1582 N PRO B 27 -31.164 2.585 -23.466 1.00 0.00 N ATOM 1583 CA PRO B 27 -30.135 1.876 -24.206 1.00 0.00 C ATOM 1584 C PRO B 27 -29.249 2.842 -24.983 1.00 0.00 C ATOM 1585 O PRO B 27 -29.592 3.279 -26.087 1.00 0.00 O ATOM 1586 CB PRO B 27 -30.915 0.961 -25.164 1.00 0.00 C ATOM 1587 CG PRO B 27 -32.358 1.114 -24.793 1.00 0.00 C ATOM 1588 CD PRO B 27 -32.480 2.435 -24.092 1.00 0.00 C ATOM 0 HA PRO B 27 -29.466 1.320 -23.549 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -30.746 1.247 -26.202 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -30.593 -0.076 -25.063 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -32.992 1.085 -25.679 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -32.680 0.299 -24.144 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -32.693 3.246 -24.789 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -33.282 2.430 -23.354 1.00 0.00 H new ATOM 1596 N GLU B 28 -28.133 3.205 -24.377 1.00 0.00 N ATOM 1597 CA GLU B 28 -27.148 4.055 -25.024 1.00 0.00 C ATOM 1598 C GLU B 28 -26.127 3.191 -25.762 1.00 0.00 C ATOM 1599 O GLU B 28 -26.488 2.161 -26.338 1.00 0.00 O ATOM 1600 CB GLU B 28 -26.465 4.957 -23.986 1.00 0.00 C ATOM 1601 CG GLU B 28 -25.856 4.207 -22.812 1.00 0.00 C ATOM 1602 CD GLU B 28 -24.368 4.456 -22.677 1.00 0.00 C ATOM 1603 OE1 GLU B 28 -23.983 5.528 -22.176 1.00 0.00 O ATOM 1604 OE2 GLU B 28 -23.575 3.582 -23.080 1.00 0.00 O1- ATOM 0 H GLU B 28 -27.884 2.922 -23.429 1.00 0.00 H new ATOM 0 HA GLU B 28 -27.644 4.697 -25.752 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -25.682 5.532 -24.480 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -27.195 5.672 -23.606 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -26.357 4.509 -21.892 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -26.033 3.139 -22.936 1.00 0.00 H new ATOM 1611 N ASN B 29 -24.870 3.619 -25.765 1.00 0.00 N ATOM 1612 CA ASN B 29 -23.791 2.847 -26.375 1.00 0.00 C ATOM 1613 C ASN B 29 -23.791 1.417 -25.835 1.00 0.00 C ATOM 1614 O ASN B 29 -23.745 0.455 -26.603 1.00 0.00 O ATOM 1615 CB ASN B 29 -22.440 3.508 -26.091 1.00 0.00 C ATOM 1616 CG ASN B 29 -21.281 2.741 -26.697 1.00 0.00 C ATOM 1617 OD1 ASN B 29 -21.390 2.179 -27.789 1.00 0.00 O ATOM 1618 ND2 ASN B 29 -20.175 2.680 -25.975 1.00 0.00 N ATOM 0 H ASN B 29 -24.571 4.501 -25.350 1.00 0.00 H new ATOM 0 HA ASN B 29 -23.953 2.819 -27.453 1.00 0.00 H new ATOM 0 HB2 ASN B 29 -22.446 4.524 -26.486 1.00 0.00 H new ATOM 0 HB3 ASN B 29 -22.296 3.586 -25.013 1.00 0.00 H new ATOM 0 HD21 ASN B 29 -19.371 2.153 -26.317 1.00 0.00 H new ATOM 0 HD22 ASN B 29 -20.126 3.160 -25.076 1.00 0.00 H new ATOM 1625 N ASN B 30 -23.874 1.297 -24.510 1.00 0.00 N ATOM 1626 CA ASN B 30 -23.936 -0.009 -23.845 1.00 0.00 C ATOM 1627 C ASN B 30 -24.039 0.136 -22.326 1.00 0.00 C ATOM 1628 O ASN B 30 -24.664 -0.695 -21.665 1.00 0.00 O ATOM 1629 CB ASN B 30 -22.709 -0.866 -24.181 1.00 0.00 C ATOM 1630 CG ASN B 30 -22.766 -2.235 -23.523 1.00 0.00 C ATOM 1631 OD1 ASN B 30 -23.331 -3.181 -24.074 1.00 0.00 O ATOM 1632 ND2 ASN B 30 -22.187 -2.351 -22.338 1.00 0.00 N ATOM 0 H ASN B 30 -23.900 2.092 -23.871 1.00 0.00 H new ATOM 0 HA ASN B 30 -24.834 -0.503 -24.217 1.00 0.00 H new ATOM 0 HB2 ASN B 30 -22.638 -0.987 -25.262 1.00 0.00 H new ATOM 0 HB3 ASN B 30 -21.806 -0.347 -23.858 1.00 0.00 H new ATOM 0 HD21 ASN B 30 -22.199 -3.247 -21.850 1.00 0.00 H new ATOM 0 HD22 ASN B 30 -21.729 -1.545 -21.913 1.00 0.00 H new ATOM 1639 N VAL B 31 -23.434 1.197 -21.787 1.00 0.00 N ATOM 1640 CA VAL B 31 -23.287 1.380 -20.344 1.00 0.00 C ATOM 1641 C VAL B 31 -22.213 0.441 -19.807 1.00 0.00 C ATOM 1642 O VAL B 31 -22.468 -0.736 -19.532 1.00 0.00 O ATOM 1643 CB VAL B 31 -24.607 1.172 -19.558 1.00 0.00 C ATOM 1644 CG1 VAL B 31 -24.369 1.313 -18.060 1.00 0.00 C ATOM 1645 CG2 VAL B 31 -25.673 2.157 -20.018 1.00 0.00 C ATOM 0 H VAL B 31 -23.032 1.954 -22.341 1.00 0.00 H new ATOM 0 HA VAL B 31 -22.993 2.419 -20.192 1.00 0.00 H new ATOM 0 HB VAL B 31 -24.963 0.162 -19.760 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -25.308 1.163 -17.527 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -23.644 0.567 -17.735 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -23.984 2.310 -17.845 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -26.590 1.991 -19.452 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -25.323 3.176 -19.852 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -25.870 2.010 -21.080 1.00 0.00 H new ATOM 1655 N LEU B 32 -21.003 0.962 -19.702 1.00 0.00 N ATOM 1656 CA LEU B 32 -19.871 0.188 -19.220 1.00 0.00 C ATOM 1657 C LEU B 32 -19.508 0.603 -17.803 1.00 0.00 C ATOM 1658 O LEU B 32 -19.181 1.765 -17.555 1.00 0.00 O ATOM 1659 CB LEU B 32 -18.663 0.384 -20.140 1.00 0.00 C ATOM 1660 CG LEU B 32 -18.844 -0.109 -21.578 1.00 0.00 C ATOM 1661 CD1 LEU B 32 -17.657 0.301 -22.438 1.00 0.00 C ATOM 1662 CD2 LEU B 32 -19.017 -1.619 -21.604 1.00 0.00 C ATOM 0 H LEU B 32 -20.778 1.926 -19.946 1.00 0.00 H new ATOM 0 HA LEU B 32 -20.152 -0.865 -19.219 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -18.417 1.445 -20.166 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -17.808 -0.131 -19.703 1.00 0.00 H new ATOM 0 HG LEU B 32 -19.743 0.352 -21.987 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -17.804 -0.059 -23.456 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -17.571 1.388 -22.446 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -16.744 -0.132 -22.029 1.00 0.00 H new ATOM 0 HD21 LEU B 32 -19.144 -1.953 -22.634 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -18.135 -2.094 -21.175 1.00 0.00 H new ATOM 0 HD23 LEU B 32 -19.896 -1.895 -21.022 1.00 0.00 H new ATOM 1674 N SER B 33 -19.583 -0.338 -16.881 1.00 0.00 N ATOM 1675 CA SER B 33 -19.200 -0.084 -15.504 1.00 0.00 C ATOM 1676 C SER B 33 -17.752 -0.523 -15.289 1.00 0.00 C ATOM 1677 O SER B 33 -17.402 -1.670 -15.578 1.00 0.00 O ATOM 1678 CB SER B 33 -20.133 -0.838 -14.553 1.00 0.00 C ATOM 1679 OG SER B 33 -21.496 -0.607 -14.884 1.00 0.00 O ATOM 0 H SER B 33 -19.907 -1.288 -17.061 1.00 0.00 H new ATOM 0 HA SER B 33 -19.283 0.983 -15.295 1.00 0.00 H new ATOM 0 HB2 SER B 33 -19.920 -1.906 -14.600 1.00 0.00 H new ATOM 0 HB3 SER B 33 -19.946 -0.521 -13.527 1.00 0.00 H new ATOM 0 HG SER B 33 -22.072 -1.101 -14.263 1.00 0.00 H new ATOM 1685 N PRO B 34 -16.885 0.393 -14.817 1.00 0.00 N ATOM 1686 CA PRO B 34 -15.465 0.100 -14.584 1.00 0.00 C ATOM 1687 C PRO B 34 -15.264 -1.142 -13.721 1.00 0.00 C ATOM 1688 O PRO B 34 -15.703 -1.192 -12.569 1.00 0.00 O ATOM 1689 CB PRO B 34 -14.956 1.350 -13.858 1.00 0.00 C ATOM 1690 CG PRO B 34 -15.878 2.438 -14.287 1.00 0.00 C ATOM 1691 CD PRO B 34 -17.222 1.789 -14.479 1.00 0.00 C ATOM 0 HA PRO B 34 -14.935 -0.112 -15.512 1.00 0.00 H new ATOM 0 HB2 PRO B 34 -14.978 1.216 -12.776 1.00 0.00 H new ATOM 0 HB3 PRO B 34 -13.925 1.574 -14.131 1.00 0.00 H new ATOM 0 HG2 PRO B 34 -15.929 3.226 -13.535 1.00 0.00 H new ATOM 0 HG3 PRO B 34 -15.532 2.901 -15.211 1.00 0.00 H new ATOM 0 HD2 PRO B 34 -17.829 1.848 -13.576 1.00 0.00 H new ATOM 0 HD3 PRO B 34 -17.789 2.269 -15.276 1.00 0.00 H new ATOM 1699 N LEU B 35 -14.607 -2.146 -14.284 1.00 0.00 N ATOM 1700 CA LEU B 35 -14.406 -3.412 -13.598 1.00 0.00 C ATOM 1701 C LEU B 35 -13.190 -4.137 -14.168 1.00 0.00 C ATOM 1702 O LEU B 35 -13.221 -4.620 -15.300 1.00 0.00 O ATOM 1703 CB LEU B 35 -15.652 -4.290 -13.742 1.00 0.00 C ATOM 1704 CG LEU B 35 -15.599 -5.632 -13.008 1.00 0.00 C ATOM 1705 CD1 LEU B 35 -15.500 -5.418 -11.504 1.00 0.00 C ATOM 1706 CD2 LEU B 35 -16.817 -6.477 -13.349 1.00 0.00 C ATOM 0 H LEU B 35 -14.202 -2.106 -15.219 1.00 0.00 H new ATOM 0 HA LEU B 35 -14.231 -3.212 -12.541 1.00 0.00 H new ATOM 0 HB2 LEU B 35 -16.514 -3.730 -13.378 1.00 0.00 H new ATOM 0 HB3 LEU B 35 -15.820 -4.481 -14.802 1.00 0.00 H new ATOM 0 HG LEU B 35 -14.708 -6.166 -13.337 1.00 0.00 H new ATOM 0 HD11 LEU B 35 -15.464 -6.384 -11.001 1.00 0.00 H new ATOM 0 HD12 LEU B 35 -14.595 -4.855 -11.275 1.00 0.00 H new ATOM 0 HD13 LEU B 35 -16.371 -4.861 -11.158 1.00 0.00 H new ATOM 0 HD21 LEU B 35 -16.761 -7.427 -12.818 1.00 0.00 H new ATOM 0 HD22 LEU B 35 -17.722 -5.947 -13.051 1.00 0.00 H new ATOM 0 HD23 LEU B 35 -16.842 -6.663 -14.423 1.00 0.00 H new ATOM 1718 N PRO B 36 -12.095 -4.193 -13.399 1.00 0.00 N ATOM 1719 CA PRO B 36 -10.878 -4.885 -13.816 1.00 0.00 C ATOM 1720 C PRO B 36 -10.982 -6.399 -13.650 1.00 0.00 C ATOM 1721 O PRO B 36 -11.143 -6.911 -12.539 1.00 0.00 O ATOM 1722 CB PRO B 36 -9.812 -4.310 -12.882 1.00 0.00 C ATOM 1723 CG PRO B 36 -10.552 -3.926 -11.644 1.00 0.00 C ATOM 1724 CD PRO B 36 -11.954 -3.570 -12.068 1.00 0.00 C ATOM 0 HA PRO B 36 -10.663 -4.735 -14.874 1.00 0.00 H new ATOM 0 HB2 PRO B 36 -9.037 -5.046 -12.667 1.00 0.00 H new ATOM 0 HB3 PRO B 36 -9.318 -3.448 -13.330 1.00 0.00 H new ATOM 0 HG2 PRO B 36 -10.561 -4.748 -10.928 1.00 0.00 H new ATOM 0 HG3 PRO B 36 -10.070 -3.081 -11.152 1.00 0.00 H new ATOM 0 HD2 PRO B 36 -12.693 -3.956 -11.366 1.00 0.00 H new ATOM 0 HD3 PRO B 36 -12.094 -2.490 -12.116 1.00 0.00 H new ATOM 1732 N SER B 37 -10.890 -7.111 -14.762 1.00 0.00 N ATOM 1733 CA SER B 37 -10.968 -8.565 -14.755 1.00 0.00 C ATOM 1734 C SER B 37 -9.606 -9.172 -14.439 1.00 0.00 C ATOM 1735 O SER B 37 -9.498 -10.346 -14.083 1.00 0.00 O ATOM 1736 CB SER B 37 -11.473 -9.065 -16.108 1.00 0.00 C ATOM 1737 OG SER B 37 -12.717 -8.464 -16.426 1.00 0.00 O ATOM 0 H SER B 37 -10.760 -6.703 -15.688 1.00 0.00 H new ATOM 0 HA SER B 37 -11.668 -8.875 -13.980 1.00 0.00 H new ATOM 0 HB2 SER B 37 -10.742 -8.835 -16.883 1.00 0.00 H new ATOM 0 HB3 SER B 37 -11.582 -10.149 -16.084 1.00 0.00 H new ATOM 0 HG SER B 37 -13.026 -8.793 -17.296 1.00 0.00 H new ATOM 1743 N GLN B 38 -8.572 -8.353 -14.560 1.00 0.00 N ATOM 1744 CA GLN B 38 -7.208 -8.787 -14.290 1.00 0.00 C ATOM 1745 C GLN B 38 -6.779 -8.386 -12.880 1.00 0.00 C ATOM 1746 O GLN B 38 -5.604 -8.511 -12.530 1.00 0.00 O ATOM 1747 CB GLN B 38 -6.244 -8.172 -15.309 1.00 0.00 C ATOM 1748 CG GLN B 38 -6.239 -6.650 -15.296 1.00 0.00 C ATOM 1749 CD GLN B 38 -5.093 -6.058 -16.083 1.00 0.00 C ATOM 1750 OE1 GLN B 38 -5.210 -5.801 -17.282 1.00 0.00 O ATOM 1751 NE2 GLN B 38 -3.975 -5.838 -15.411 1.00 0.00 N ATOM 0 H GLN B 38 -8.652 -7.377 -14.846 1.00 0.00 H new ATOM 0 HA GLN B 38 -7.178 -9.874 -14.372 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -5.235 -8.533 -15.107 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -6.513 -8.518 -16.307 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -7.181 -6.285 -15.706 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -6.183 -6.301 -14.265 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -3.923 -6.066 -14.418 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -3.165 -5.440 -15.886 1.00 0.00 H new ATOM 1760 N ALA B 39 -7.746 -7.912 -12.088 1.00 0.00 N ATOM 1761 CA ALA B 39 -7.494 -7.375 -10.746 1.00 0.00 C ATOM 1762 C ALA B 39 -6.725 -6.058 -10.820 1.00 0.00 C ATOM 1763 O ALA B 39 -6.271 -5.648 -11.890 1.00 0.00 O ATOM 1764 CB ALA B 39 -6.752 -8.383 -9.871 1.00 0.00 C ATOM 0 H ALA B 39 -8.729 -7.890 -12.360 1.00 0.00 H new ATOM 0 HA ALA B 39 -8.462 -7.181 -10.284 1.00 0.00 H new ATOM 0 HB1 ALA B 39 -6.582 -7.952 -8.884 1.00 0.00 H new ATOM 0 HB2 ALA B 39 -7.350 -9.289 -9.773 1.00 0.00 H new ATOM 0 HB3 ALA B 39 -5.794 -8.628 -10.330 1.00 0.00 H new ATOM 1770 N MET B 40 -6.611 -5.379 -9.687 1.00 0.00 N ATOM 1771 CA MET B 40 -5.893 -4.111 -9.635 1.00 0.00 C ATOM 1772 C MET B 40 -4.899 -4.106 -8.475 1.00 0.00 C ATOM 1773 O MET B 40 -4.066 -3.210 -8.386 1.00 0.00 O ATOM 1774 CB MET B 40 -6.890 -2.945 -9.527 1.00 0.00 C ATOM 1775 CG MET B 40 -6.255 -1.559 -9.516 1.00 0.00 C ATOM 1776 SD MET B 40 -7.441 -0.247 -9.894 1.00 0.00 S ATOM 1777 CE MET B 40 -8.658 -0.496 -8.601 1.00 0.00 C ATOM 0 H MET B 40 -7.004 -5.682 -8.796 1.00 0.00 H new ATOM 0 HA MET B 40 -5.324 -3.985 -10.556 1.00 0.00 H new ATOM 0 HB2 MET B 40 -7.587 -3.003 -10.363 1.00 0.00 H new ATOM 0 HB3 MET B 40 -7.474 -3.069 -8.615 1.00 0.00 H new ATOM 0 HG2 MET B 40 -5.814 -1.374 -8.537 1.00 0.00 H new ATOM 0 HG3 MET B 40 -5.443 -1.530 -10.242 1.00 0.00 H new ATOM 0 HE1 MET B 40 -9.497 0.182 -8.756 1.00 0.00 H new ATOM 0 HE2 MET B 40 -9.014 -1.526 -8.630 1.00 0.00 H new ATOM 0 HE3 MET B 40 -8.204 -0.296 -7.631 1.00 0.00 H new ATOM 1787 N ASP B 41 -4.910 -5.221 -7.720 1.00 0.00 N ATOM 1788 CA ASP B 41 -4.202 -5.433 -6.420 1.00 0.00 C ATOM 1789 C ASP B 41 -3.704 -4.181 -5.661 1.00 0.00 C ATOM 1790 O ASP B 41 -2.826 -4.292 -4.806 1.00 0.00 O ATOM 1791 CB ASP B 41 -3.027 -6.391 -6.629 1.00 0.00 C ATOM 1792 CG ASP B 41 -3.480 -7.791 -6.993 1.00 0.00 C ATOM 1793 OD1 ASP B 41 -4.109 -8.458 -6.141 1.00 0.00 O ATOM 1794 OD2 ASP B 41 -3.214 -8.233 -8.132 1.00 0.00 O1- ATOM 0 H ASP B 41 -5.436 -6.047 -8.005 1.00 0.00 H new ATOM 0 HA ASP B 41 -4.977 -5.842 -5.772 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -2.382 -6.004 -7.418 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -2.428 -6.431 -5.719 1.00 0.00 H new ATOM 1799 N ASP B 42 -4.268 -3.012 -5.940 1.00 0.00 N ATOM 1800 CA ASP B 42 -3.848 -1.747 -5.327 1.00 0.00 C ATOM 1801 C ASP B 42 -4.252 -1.658 -3.850 1.00 0.00 C ATOM 1802 O ASP B 42 -4.409 -0.565 -3.309 1.00 0.00 O ATOM 1803 CB ASP B 42 -4.480 -0.578 -6.090 1.00 0.00 C ATOM 1804 CG ASP B 42 -5.991 -0.530 -5.927 1.00 0.00 C ATOM 1805 OD1 ASP B 42 -6.667 -1.499 -6.337 1.00 0.00 O1- ATOM 1806 OD2 ASP B 42 -6.508 0.466 -5.372 1.00 0.00 O ATOM 0 H ASP B 42 -5.036 -2.909 -6.603 1.00 0.00 H new ATOM 0 HA ASP B 42 -2.760 -1.700 -5.380 1.00 0.00 H new ATOM 0 HB2 ASP B 42 -4.049 0.359 -5.736 1.00 0.00 H new ATOM 0 HB3 ASP B 42 -4.234 -0.663 -7.148 1.00 0.00 H new ATOM 1811 N LEU B 43 -4.379 -2.802 -3.191 1.00 0.00 N ATOM 1812 CA LEU B 43 -4.811 -2.845 -1.800 1.00 0.00 C ATOM 1813 C LEU B 43 -3.822 -2.107 -0.907 1.00 0.00 C ATOM 1814 O LEU B 43 -4.209 -1.471 0.073 1.00 0.00 O ATOM 1815 CB LEU B 43 -4.954 -4.292 -1.325 1.00 0.00 C ATOM 1816 CG LEU B 43 -5.988 -5.132 -2.074 1.00 0.00 C ATOM 1817 CD1 LEU B 43 -6.015 -6.548 -1.522 1.00 0.00 C ATOM 1818 CD2 LEU B 43 -7.367 -4.494 -1.980 1.00 0.00 C ATOM 0 H LEU B 43 -4.188 -3.717 -3.600 1.00 0.00 H new ATOM 0 HA LEU B 43 -5.781 -2.353 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU B 43 -3.984 -4.781 -1.410 1.00 0.00 H new ATOM 0 HB3 LEU B 43 -5.216 -4.284 -0.267 1.00 0.00 H new ATOM 0 HG LEU B 43 -5.704 -5.175 -3.126 1.00 0.00 H new ATOM 0 HD11 LEU B 43 -6.756 -7.136 -2.064 1.00 0.00 H new ATOM 0 HD12 LEU B 43 -5.032 -7.004 -1.641 1.00 0.00 H new ATOM 0 HD13 LEU B 43 -6.277 -6.521 -0.464 1.00 0.00 H new ATOM 0 HD21 LEU B 43 -8.089 -5.107 -2.519 1.00 0.00 H new ATOM 0 HD22 LEU B 43 -7.663 -4.421 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU B 43 -7.337 -3.497 -2.420 1.00 0.00 H new ATOM 1830 N MET B 44 -2.542 -2.194 -1.242 1.00 0.00 N ATOM 1831 CA MET B 44 -1.522 -1.519 -0.454 1.00 0.00 C ATOM 1832 C MET B 44 -0.592 -0.708 -1.340 1.00 0.00 C ATOM 1833 O MET B 44 -0.639 0.520 -1.350 1.00 0.00 O ATOM 1834 CB MET B 44 -0.675 -2.512 0.341 1.00 0.00 C ATOM 1835 CG MET B 44 -1.405 -3.751 0.824 1.00 0.00 C ATOM 1836 SD MET B 44 -1.611 -4.985 -0.480 1.00 0.00 S ATOM 1837 CE MET B 44 -1.659 -6.496 0.479 1.00 0.00 C ATOM 0 H MET B 44 -2.189 -2.718 -2.043 1.00 0.00 H new ATOM 0 HA MET B 44 -2.051 -0.860 0.234 1.00 0.00 H new ATOM 0 HB2 MET B 44 0.165 -2.825 -0.279 1.00 0.00 H new ATOM 0 HB3 MET B 44 -0.258 -1.997 1.206 1.00 0.00 H new ATOM 0 HG2 MET B 44 -0.854 -4.193 1.654 1.00 0.00 H new ATOM 0 HG3 MET B 44 -2.384 -3.465 1.208 1.00 0.00 H new ATOM 0 HE1 MET B 44 -1.358 -7.335 -0.148 1.00 0.00 H new ATOM 0 HE2 MET B 44 -0.977 -6.412 1.325 1.00 0.00 H new ATOM 0 HE3 MET B 44 -2.672 -6.662 0.845 1.00 0.00 H new ATOM 1847 N LEU B 45 0.245 -1.409 -2.092 1.00 0.00 N ATOM 1848 CA LEU B 45 1.270 -0.763 -2.896 1.00 0.00 C ATOM 1849 C LEU B 45 0.726 -0.508 -4.298 1.00 0.00 C ATOM 1850 O LEU B 45 0.487 -1.442 -5.062 1.00 0.00 O ATOM 1851 CB LEU B 45 2.556 -1.628 -2.934 1.00 0.00 C ATOM 1852 CG LEU B 45 3.035 -2.166 -1.564 1.00 0.00 C ATOM 1853 CD1 LEU B 45 4.460 -2.702 -1.622 1.00 0.00 C ATOM 1854 CD2 LEU B 45 2.948 -1.097 -0.504 1.00 0.00 C ATOM 0 H LEU B 45 0.233 -2.427 -2.161 1.00 0.00 H new ATOM 0 HA LEU B 45 1.536 0.194 -2.448 1.00 0.00 H new ATOM 0 HB2 LEU B 45 2.384 -2.475 -3.598 1.00 0.00 H new ATOM 0 HB3 LEU B 45 3.359 -1.036 -3.374 1.00 0.00 H new ATOM 0 HG LEU B 45 2.370 -2.991 -1.306 1.00 0.00 H new ATOM 0 HD11 LEU B 45 4.751 -3.068 -0.638 1.00 0.00 H new ATOM 0 HD12 LEU B 45 4.513 -3.518 -2.343 1.00 0.00 H new ATOM 0 HD13 LEU B 45 5.137 -1.904 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.290 -1.501 0.449 1.00 0.00 H new ATOM 0 HD22 LEU B 45 3.576 -0.252 -0.787 1.00 0.00 H new ATOM 0 HD23 LEU B 45 1.915 -0.764 -0.407 1.00 0.00 H new ATOM 1866 N SER B 46 0.495 0.762 -4.608 1.00 0.00 N ATOM 1867 CA SER B 46 -0.116 1.158 -5.869 1.00 0.00 C ATOM 1868 C SER B 46 0.831 0.949 -7.052 1.00 0.00 C ATOM 1869 O SER B 46 1.970 1.422 -7.037 1.00 0.00 O ATOM 1870 CB SER B 46 -0.545 2.620 -5.786 1.00 0.00 C ATOM 1871 OG SER B 46 0.472 3.408 -5.185 1.00 0.00 O ATOM 0 H SER B 46 0.725 1.543 -3.994 1.00 0.00 H new ATOM 0 HA SER B 46 -0.988 0.526 -6.038 1.00 0.00 H new ATOM 0 HB2 SER B 46 -0.762 2.998 -6.785 1.00 0.00 H new ATOM 0 HB3 SER B 46 -1.465 2.702 -5.207 1.00 0.00 H new ATOM 0 HG SER B 46 1.349 3.115 -5.511 1.00 0.00 H new ATOM 1877 N PRO B 47 0.356 0.254 -8.107 1.00 0.00 N ATOM 1878 CA PRO B 47 1.168 -0.067 -9.293 1.00 0.00 C ATOM 1879 C PRO B 47 1.754 1.174 -9.956 1.00 0.00 C ATOM 1880 O PRO B 47 2.781 1.104 -10.628 1.00 0.00 O ATOM 1881 CB PRO B 47 0.174 -0.757 -10.232 1.00 0.00 C ATOM 1882 CG PRO B 47 -0.894 -1.281 -9.338 1.00 0.00 C ATOM 1883 CD PRO B 47 -1.015 -0.285 -8.221 1.00 0.00 C ATOM 0 HA PRO B 47 2.031 -0.682 -9.036 1.00 0.00 H new ATOM 0 HB2 PRO B 47 -0.231 -0.057 -10.963 1.00 0.00 H new ATOM 0 HB3 PRO B 47 0.652 -1.562 -10.791 1.00 0.00 H new ATOM 0 HG2 PRO B 47 -1.837 -1.384 -9.874 1.00 0.00 H new ATOM 0 HG3 PRO B 47 -0.635 -2.268 -8.956 1.00 0.00 H new ATOM 0 HD2 PRO B 47 -1.738 0.497 -8.454 1.00 0.00 H new ATOM 0 HD3 PRO B 47 -1.342 -0.756 -7.294 1.00 0.00 H new ATOM 1891 N ASP B 48 1.095 2.307 -9.754 1.00 0.00 N ATOM 1892 CA ASP B 48 1.541 3.578 -10.314 1.00 0.00 C ATOM 1893 C ASP B 48 2.918 3.963 -9.774 1.00 0.00 C ATOM 1894 O ASP B 48 3.808 4.364 -10.527 1.00 0.00 O ATOM 1895 CB ASP B 48 0.538 4.683 -9.968 1.00 0.00 C ATOM 1896 CG ASP B 48 -0.868 4.380 -10.444 1.00 0.00 C ATOM 1897 OD1 ASP B 48 -1.525 3.501 -9.847 1.00 0.00 O ATOM 1898 OD2 ASP B 48 -1.335 5.034 -11.402 1.00 0.00 O1- ATOM 0 H ASP B 48 0.241 2.372 -9.201 1.00 0.00 H new ATOM 0 HA ASP B 48 1.608 3.463 -11.396 1.00 0.00 H new ATOM 0 HB2 ASP B 48 0.526 4.829 -8.888 1.00 0.00 H new ATOM 0 HB3 ASP B 48 0.872 5.621 -10.413 1.00 0.00 H new ATOM 1903 N ASP B 49 3.088 3.814 -8.468 1.00 0.00 N ATOM 1904 CA ASP B 49 4.304 4.255 -7.789 1.00 0.00 C ATOM 1905 C ASP B 49 5.290 3.094 -7.659 1.00 0.00 C ATOM 1906 O ASP B 49 6.499 3.290 -7.539 1.00 0.00 O ATOM 1907 CB ASP B 49 3.932 4.811 -6.409 1.00 0.00 C ATOM 1908 CG ASP B 49 4.941 5.807 -5.878 1.00 0.00 C ATOM 1909 OD1 ASP B 49 4.996 6.941 -6.401 1.00 0.00 O ATOM 1910 OD2 ASP B 49 5.648 5.486 -4.909 1.00 0.00 O1- ATOM 0 H ASP B 49 2.396 3.388 -7.852 1.00 0.00 H new ATOM 0 HA ASP B 49 4.786 5.039 -8.373 1.00 0.00 H new ATOM 0 HB2 ASP B 49 2.955 5.290 -6.468 1.00 0.00 H new ATOM 0 HB3 ASP B 49 3.840 3.985 -5.704 1.00 0.00 H new ATOM 1915 N ILE B 50 4.740 1.884 -7.713 1.00 0.00 N ATOM 1916 CA ILE B 50 5.492 0.637 -7.587 1.00 0.00 C ATOM 1917 C ILE B 50 6.752 0.589 -8.461 1.00 0.00 C ATOM 1918 O ILE B 50 7.810 0.153 -8.001 1.00 0.00 O ATOM 1919 CB ILE B 50 4.563 -0.550 -7.935 1.00 0.00 C ATOM 1920 CG1 ILE B 50 3.810 -0.999 -6.686 1.00 0.00 C ATOM 1921 CG2 ILE B 50 5.314 -1.714 -8.565 1.00 0.00 C ATOM 1922 CD1 ILE B 50 2.966 -2.235 -6.896 1.00 0.00 C ATOM 0 H ILE B 50 3.739 1.739 -7.848 1.00 0.00 H new ATOM 0 HA ILE B 50 5.836 0.573 -6.555 1.00 0.00 H new ATOM 0 HB ILE B 50 3.850 -0.203 -8.683 1.00 0.00 H new ATOM 0 HG12 ILE B 50 4.528 -1.192 -5.889 1.00 0.00 H new ATOM 0 HG13 ILE B 50 3.169 -0.185 -6.347 1.00 0.00 H new ATOM 0 HG21 ILE B 50 4.615 -2.520 -8.789 1.00 0.00 H new ATOM 0 HG22 ILE B 50 5.793 -1.382 -9.486 1.00 0.00 H new ATOM 0 HG23 ILE B 50 6.073 -2.075 -7.871 1.00 0.00 H new ATOM 0 HD11 ILE B 50 2.461 -2.493 -5.965 1.00 0.00 H new ATOM 0 HD12 ILE B 50 2.223 -2.041 -7.670 1.00 0.00 H new ATOM 0 HD13 ILE B 50 3.604 -3.063 -7.205 1.00 0.00 H new ATOM 1934 N GLU B 51 6.645 1.066 -9.694 1.00 0.00 N ATOM 1935 CA GLU B 51 7.711 0.925 -10.685 1.00 0.00 C ATOM 1936 C GLU B 51 9.007 1.645 -10.279 1.00 0.00 C ATOM 1937 O GLU B 51 10.020 1.536 -10.967 1.00 0.00 O ATOM 1938 CB GLU B 51 7.223 1.460 -12.031 1.00 0.00 C ATOM 1939 CG GLU B 51 6.003 0.730 -12.575 1.00 0.00 C ATOM 1940 CD GLU B 51 6.295 -0.711 -12.950 1.00 0.00 C ATOM 1941 OE1 GLU B 51 6.793 -0.946 -14.074 1.00 0.00 O1- ATOM 1942 OE2 GLU B 51 6.020 -1.613 -12.134 1.00 0.00 O ATOM 0 H GLU B 51 5.821 1.560 -10.037 1.00 0.00 H new ATOM 0 HA GLU B 51 7.949 -0.136 -10.756 1.00 0.00 H new ATOM 0 HB2 GLU B 51 6.985 2.519 -11.926 1.00 0.00 H new ATOM 0 HB3 GLU B 51 8.033 1.386 -12.757 1.00 0.00 H new ATOM 0 HG2 GLU B 51 5.210 0.752 -11.828 1.00 0.00 H new ATOM 0 HG3 GLU B 51 5.630 1.260 -13.452 1.00 0.00 H new ATOM 1949 N GLN B 52 8.971 2.386 -9.180 1.00 0.00 N ATOM 1950 CA GLN B 52 10.129 3.152 -8.739 1.00 0.00 C ATOM 1951 C GLN B 52 10.934 2.414 -7.660 1.00 0.00 C ATOM 1952 O GLN B 52 12.164 2.433 -7.671 1.00 0.00 O ATOM 1953 CB GLN B 52 9.671 4.516 -8.207 1.00 0.00 C ATOM 1954 CG GLN B 52 10.808 5.445 -7.803 1.00 0.00 C ATOM 1955 CD GLN B 52 11.707 5.811 -8.971 1.00 0.00 C ATOM 1956 OE1 GLN B 52 12.701 5.139 -9.243 1.00 0.00 O ATOM 1957 NE2 GLN B 52 11.354 6.876 -9.673 1.00 0.00 N ATOM 0 H GLN B 52 8.153 2.473 -8.577 1.00 0.00 H new ATOM 0 HA GLN B 52 10.785 3.287 -9.599 1.00 0.00 H new ATOM 0 HB2 GLN B 52 9.070 5.008 -8.972 1.00 0.00 H new ATOM 0 HB3 GLN B 52 9.023 4.358 -7.345 1.00 0.00 H new ATOM 0 HG2 GLN B 52 10.392 6.355 -7.370 1.00 0.00 H new ATOM 0 HG3 GLN B 52 11.405 4.966 -7.026 1.00 0.00 H new ATOM 0 HE21 GLN B 52 10.522 7.405 -9.413 1.00 0.00 H new ATOM 0 HE22 GLN B 52 11.914 7.167 -10.474 1.00 0.00 H new ATOM 1966 N TRP B 53 10.239 1.770 -6.726 1.00 0.00 N ATOM 1967 CA TRP B 53 10.894 1.207 -5.539 1.00 0.00 C ATOM 1968 C TRP B 53 10.500 -0.249 -5.276 1.00 0.00 C ATOM 1969 O TRP B 53 11.156 -0.948 -4.503 1.00 0.00 O ATOM 1970 CB TRP B 53 10.543 2.056 -4.318 1.00 0.00 C ATOM 1971 CG TRP B 53 9.088 2.369 -4.267 1.00 0.00 C ATOM 1972 CD1 TRP B 53 8.474 3.428 -4.852 1.00 0.00 C ATOM 1973 CD2 TRP B 53 8.058 1.601 -3.639 1.00 0.00 C ATOM 1974 NE1 TRP B 53 7.132 3.371 -4.629 1.00 0.00 N ATOM 1975 CE2 TRP B 53 6.845 2.263 -3.887 1.00 0.00 C ATOM 1976 CE3 TRP B 53 8.042 0.423 -2.890 1.00 0.00 C ATOM 1977 CZ2 TRP B 53 5.626 1.786 -3.420 1.00 0.00 C ATOM 1978 CZ3 TRP B 53 6.832 -0.051 -2.425 1.00 0.00 C ATOM 1979 CH2 TRP B 53 5.638 0.631 -2.694 1.00 0.00 C ATOM 0 H TRP B 53 9.230 1.623 -6.763 1.00 0.00 H new ATOM 0 HA TRP B 53 11.968 1.221 -5.726 1.00 0.00 H new ATOM 0 HB2 TRP B 53 10.834 1.527 -3.411 1.00 0.00 H new ATOM 0 HB3 TRP B 53 11.115 2.984 -4.343 1.00 0.00 H new ATOM 0 HD1 TRP B 53 8.976 4.203 -5.412 1.00 0.00 H new ATOM 0 HE1 TRP B 53 6.449 4.050 -4.964 1.00 0.00 H new ATOM 0 HE3 TRP B 53 8.959 -0.107 -2.678 1.00 0.00 H new ATOM 0 HZ2 TRP B 53 4.704 2.310 -3.624 1.00 0.00 H new ATOM 0 HZ3 TRP B 53 6.805 -0.962 -1.845 1.00 0.00 H new ATOM 0 HH2 TRP B 53 4.707 0.234 -2.318 1.00 0.00 H new ATOM 1990 N PHE B 54 9.419 -0.692 -5.901 1.00 0.00 N ATOM 1991 CA PHE B 54 8.861 -2.014 -5.635 1.00 0.00 C ATOM 1992 C PHE B 54 9.489 -3.048 -6.568 1.00 0.00 C ATOM 1993 O PHE B 54 9.743 -4.187 -6.166 1.00 0.00 O ATOM 1994 CB PHE B 54 7.327 -1.937 -5.797 1.00 0.00 C ATOM 1995 CG PHE B 54 6.553 -3.235 -5.654 1.00 0.00 C ATOM 1996 CD1 PHE B 54 6.744 -4.284 -6.545 1.00 0.00 C ATOM 1997 CD2 PHE B 54 5.602 -3.393 -4.645 1.00 0.00 C ATOM 1998 CE1 PHE B 54 6.021 -5.455 -6.433 1.00 0.00 C ATOM 1999 CE2 PHE B 54 4.881 -4.570 -4.534 1.00 0.00 C ATOM 2000 CZ PHE B 54 5.090 -5.598 -5.427 1.00 0.00 C ATOM 0 H PHE B 54 8.907 -0.154 -6.600 1.00 0.00 H new ATOM 0 HA PHE B 54 9.088 -2.330 -4.617 1.00 0.00 H new ATOM 0 HB2 PHE B 54 6.944 -1.231 -5.060 1.00 0.00 H new ATOM 0 HB3 PHE B 54 7.111 -1.520 -6.781 1.00 0.00 H new ATOM 0 HD1 PHE B 54 7.470 -4.182 -7.338 1.00 0.00 H new ATOM 0 HD2 PHE B 54 5.427 -2.590 -3.944 1.00 0.00 H new ATOM 0 HE1 PHE B 54 6.185 -6.260 -7.134 1.00 0.00 H new ATOM 0 HE2 PHE B 54 4.152 -4.682 -3.745 1.00 0.00 H new ATOM 0 HZ PHE B 54 4.525 -6.514 -5.339 1.00 0.00 H new ATOM 2010 N THR B 55 9.768 -2.628 -7.793 1.00 0.00 N ATOM 2011 CA THR B 55 10.278 -3.516 -8.826 1.00 0.00 C ATOM 2012 C THR B 55 11.808 -3.582 -8.821 1.00 0.00 C ATOM 2013 O THR B 55 12.462 -2.982 -7.966 1.00 0.00 O ATOM 2014 CB THR B 55 9.789 -3.044 -10.206 1.00 0.00 C ATOM 2015 OG1 THR B 55 10.060 -1.645 -10.366 1.00 0.00 O ATOM 2016 CG2 THR B 55 8.298 -3.296 -10.359 1.00 0.00 C ATOM 0 H THR B 55 9.647 -1.662 -8.098 1.00 0.00 H new ATOM 0 HA THR B 55 9.900 -4.516 -8.616 1.00 0.00 H new ATOM 0 HB THR B 55 10.320 -3.607 -10.973 1.00 0.00 H new ATOM 0 HG1 THR B 55 9.748 -1.350 -11.247 1.00 0.00 H new ATOM 0 HG21 THR B 55 7.970 -2.956 -11.341 1.00 0.00 H new ATOM 0 HG22 THR B 55 8.097 -4.363 -10.259 1.00 0.00 H new ATOM 0 HG23 THR B 55 7.756 -2.751 -9.587 1.00 0.00 H new ATOM 2024 N GLU B 56 12.374 -4.333 -9.766 1.00 0.00 N ATOM 2025 CA GLU B 56 13.824 -4.422 -9.907 1.00 0.00 C ATOM 2026 C GLU B 56 14.398 -3.122 -10.470 1.00 0.00 C ATOM 2027 O GLU B 56 13.687 -2.334 -11.097 1.00 0.00 O ATOM 2028 CB GLU B 56 14.223 -5.583 -10.826 1.00 0.00 C ATOM 2029 CG GLU B 56 14.057 -6.968 -10.218 1.00 0.00 C ATOM 2030 CD GLU B 56 12.610 -7.393 -10.076 1.00 0.00 C ATOM 2031 OE1 GLU B 56 11.958 -7.652 -11.108 1.00 0.00 O ATOM 2032 OE2 GLU B 56 12.133 -7.507 -8.930 1.00 0.00 O1- ATOM 0 H GLU B 56 11.850 -4.887 -10.443 1.00 0.00 H new ATOM 0 HA GLU B 56 14.233 -4.598 -8.912 1.00 0.00 H new ATOM 0 HB2 GLU B 56 13.626 -5.528 -11.736 1.00 0.00 H new ATOM 0 HB3 GLU B 56 15.265 -5.453 -11.119 1.00 0.00 H new ATOM 0 HG2 GLU B 56 14.582 -7.694 -10.838 1.00 0.00 H new ATOM 0 HG3 GLU B 56 14.531 -6.985 -9.237 1.00 0.00 H new ATOM 2039 N ASP B 57 15.687 -2.914 -10.257 1.00 0.00 N ATOM 2040 CA ASP B 57 16.362 -1.721 -10.749 1.00 0.00 C ATOM 2041 C ASP B 57 17.733 -2.100 -11.296 1.00 0.00 C ATOM 2042 O ASP B 57 18.414 -2.950 -10.721 1.00 0.00 O ATOM 2043 CB ASP B 57 16.494 -0.683 -9.626 1.00 0.00 C ATOM 2044 CG ASP B 57 17.074 0.635 -10.098 1.00 0.00 C ATOM 2045 OD1 ASP B 57 18.314 0.783 -10.093 1.00 0.00 O ATOM 2046 OD2 ASP B 57 16.291 1.541 -10.457 1.00 0.00 O1- ATOM 0 H ASP B 57 16.290 -3.558 -9.745 1.00 0.00 H new ATOM 0 HA ASP B 57 15.772 -1.279 -11.552 1.00 0.00 H new ATOM 0 HB2 ASP B 57 15.512 -0.504 -9.188 1.00 0.00 H new ATOM 0 HB3 ASP B 57 17.127 -1.089 -8.837 1.00 0.00 H new ATOM 2051 N PRO B 58 18.136 -1.507 -12.434 1.00 0.00 N ATOM 2052 CA PRO B 58 19.424 -1.793 -13.082 1.00 0.00 C ATOM 2053 C PRO B 58 20.627 -1.486 -12.188 1.00 0.00 C ATOM 2054 O PRO B 58 21.702 -2.064 -12.365 1.00 0.00 O ATOM 2055 CB PRO B 58 19.428 -0.874 -14.314 1.00 0.00 C ATOM 2056 CG PRO B 58 18.402 0.165 -14.025 1.00 0.00 C ATOM 2057 CD PRO B 58 17.356 -0.520 -13.195 1.00 0.00 C ATOM 0 HA PRO B 58 19.517 -2.852 -13.321 1.00 0.00 H new ATOM 0 HB2 PRO B 58 20.410 -0.426 -14.469 1.00 0.00 H new ATOM 0 HB3 PRO B 58 19.184 -1.428 -15.220 1.00 0.00 H new ATOM 0 HG2 PRO B 58 18.838 1.008 -13.489 1.00 0.00 H new ATOM 0 HG3 PRO B 58 17.974 0.560 -14.946 1.00 0.00 H new ATOM 0 HD2 PRO B 58 16.839 0.180 -12.538 1.00 0.00 H new ATOM 0 HD3 PRO B 58 16.596 -0.996 -13.815 1.00 0.00 H new ATOM 2065 N GLY B 59 20.442 -0.585 -11.231 1.00 0.00 N ATOM 2066 CA GLY B 59 21.518 -0.230 -10.333 1.00 0.00 C ATOM 2067 C GLY B 59 21.686 -1.248 -9.222 1.00 0.00 C ATOM 2068 O GLY B 59 20.735 -1.519 -8.481 1.00 0.00 O ATOM 0 H GLY B 59 19.564 -0.095 -11.063 1.00 0.00 H new ATOM 0 HA2 GLY B 59 22.448 -0.149 -10.895 1.00 0.00 H new ATOM 0 HA3 GLY B 59 21.321 0.751 -9.900 1.00 0.00 H new ATOM 2072 N PRO B 60 22.881 -1.837 -9.088 1.00 0.00 N ATOM 2073 CA PRO B 60 23.159 -2.834 -8.055 1.00 0.00 C ATOM 2074 C PRO B 60 23.314 -2.206 -6.672 1.00 0.00 C ATOM 2075 O PRO B 60 24.450 -1.842 -6.300 1.00 0.00 O ATOM 2076 CB PRO B 60 24.473 -3.465 -8.517 1.00 0.00 C ATOM 2077 CG PRO B 60 25.150 -2.408 -9.321 1.00 0.00 C ATOM 2078 CD PRO B 60 24.059 -1.574 -9.937 1.00 0.00 C ATOM 0 HA PRO B 60 22.346 -3.552 -7.947 1.00 0.00 H new ATOM 0 HB2 PRO B 60 25.085 -3.767 -7.667 1.00 0.00 H new ATOM 0 HB3 PRO B 60 24.293 -4.359 -9.114 1.00 0.00 H new ATOM 0 HG2 PRO B 60 25.797 -1.797 -8.692 1.00 0.00 H new ATOM 0 HG3 PRO B 60 25.781 -2.851 -10.091 1.00 0.00 H new ATOM 0 HD2 PRO B 60 24.320 -0.516 -9.940 1.00 0.00 H new ATOM 0 HD3 PRO B 60 23.876 -1.860 -10.973 1.00 0.00 H new TER 2086 PRO B 60