USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 879 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 74 MET CE :methyl -151:sc= 0 (180deg=0) USER MOD Set 1.2: A 78 CYS SG : rot -70:sc= -0.207 USER MOD Set 2.1: A 5 CYS SG : rot 170:sc= -0.986 USER MOD Set 2.2: A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc=-0.00148 X(o=-0.0015,f=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 CYS SG : rot -23:sc= 0.15 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -161:sc= -0.307 (180deg=-1.02) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -1.53 X(o=-1.5,f=-2) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot -107:sc= -0.273 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 47 MET CE :methyl 158:sc= -0.115 (180deg=-0.711) USER MOD Single : A 49 MET CE :methyl -134:sc= -0.225 (180deg=-1.57) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 140:sc= 0.524 (180deg=0.0168) USER MOD Single : A 54 SER OG : rot -61:sc= 0.858 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 128:sc= -1.45 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot -91:sc= 1.07 USER MOD Single : A 77 ASN : amide:sc= 0 K(o=0,f=0.68) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.392 K(o=-0.39,f=-2.4!) USER MOD Single : A 86 HIS : no HD1:sc= -2.5! K(o=-2.5!,f=-2) USER MOD Single : A 91 MET CE :methyl -150:sc= -0.98 (180deg=-3.98!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.236 K(o=-0.24,f=-1.1!) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.199 K(o=-0.2,f=-5.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 173.002 -17.029 13.240 1.00 0.00 N ATOM 2 CA GLU A 1 172.961 -17.240 11.767 1.00 0.00 C ATOM 3 C GLU A 1 173.487 -16.018 11.020 1.00 0.00 C ATOM 4 O GLU A 1 173.471 -14.904 11.545 1.00 0.00 O ATOM 5 CB GLU A 1 171.517 -17.528 11.347 1.00 0.00 C ATOM 6 CG GLU A 1 171.402 -18.446 10.140 1.00 0.00 C ATOM 7 CD GLU A 1 169.970 -18.617 9.673 1.00 0.00 C ATOM 8 OE1 GLU A 1 169.515 -17.802 8.843 1.00 0.00 O ATOM 9 OE2 GLU A 1 169.303 -19.563 10.141 1.00 0.00 O ATOM 0 H1 GLU A 1 172.639 -17.876 13.722 1.00 0.00 H new ATOM 0 H2 GLU A 1 173.983 -16.855 13.539 1.00 0.00 H new ATOM 0 H3 GLU A 1 172.413 -16.209 13.490 1.00 0.00 H new ATOM 0 HA GLU A 1 173.601 -18.086 11.514 1.00 0.00 H new ATOM 0 HB2 GLU A 1 170.987 -17.978 12.186 1.00 0.00 H new ATOM 0 HB3 GLU A 1 171.018 -16.585 11.124 1.00 0.00 H new ATOM 0 HG2 GLU A 1 172.001 -18.043 9.323 1.00 0.00 H new ATOM 0 HG3 GLU A 1 171.818 -19.422 10.389 1.00 0.00 H new ATOM 18 N GLN A 2 173.950 -16.237 9.792 1.00 0.00 N ATOM 19 CA GLN A 2 174.482 -15.158 8.965 1.00 0.00 C ATOM 20 C GLN A 2 173.395 -14.144 8.613 1.00 0.00 C ATOM 21 O GLN A 2 173.626 -12.936 8.670 1.00 0.00 O ATOM 22 CB GLN A 2 175.107 -15.727 7.690 1.00 0.00 C ATOM 23 CG GLN A 2 176.249 -16.697 7.956 1.00 0.00 C ATOM 24 CD GLN A 2 176.240 -17.884 7.011 1.00 0.00 C ATOM 25 OE1 GLN A 2 177.111 -18.012 6.151 1.00 0.00 O ATOM 26 NE2 GLN A 2 175.252 -18.761 7.164 1.00 0.00 N ATOM 0 H GLN A 2 173.967 -17.155 9.347 1.00 0.00 H new ATOM 0 HA GLN A 2 175.252 -14.642 9.539 1.00 0.00 H new ATOM 0 HB2 GLN A 2 174.335 -16.236 7.112 1.00 0.00 H new ATOM 0 HB3 GLN A 2 175.475 -14.905 7.076 1.00 0.00 H new ATOM 0 HG2 GLN A 2 177.198 -16.169 7.861 1.00 0.00 H new ATOM 0 HG3 GLN A 2 176.184 -17.055 8.983 1.00 0.00 H new ATOM 0 HE21 GLN A 2 174.550 -18.617 7.890 1.00 0.00 H new ATOM 0 HE22 GLN A 2 175.196 -19.578 6.555 1.00 0.00 H new ATOM 35 N LEU A 3 172.206 -14.639 8.261 1.00 0.00 N ATOM 36 CA LEU A 3 171.086 -13.766 7.913 1.00 0.00 C ATOM 37 C LEU A 3 170.678 -12.903 9.106 1.00 0.00 C ATOM 38 O LEU A 3 170.408 -11.712 8.957 1.00 0.00 O ATOM 39 CB LEU A 3 169.885 -14.588 7.436 1.00 0.00 C ATOM 40 CG LEU A 3 169.843 -14.879 5.934 1.00 0.00 C ATOM 41 CD1 LEU A 3 168.766 -15.908 5.626 1.00 0.00 C ATOM 42 CD2 LEU A 3 169.599 -13.598 5.147 1.00 0.00 C ATOM 0 H LEU A 3 171.996 -15.636 8.210 1.00 0.00 H new ATOM 0 HA LEU A 3 171.413 -13.114 7.103 1.00 0.00 H new ATOM 0 HB2 LEU A 3 169.879 -15.537 7.973 1.00 0.00 H new ATOM 0 HB3 LEU A 3 168.972 -14.060 7.712 1.00 0.00 H new ATOM 0 HG LEU A 3 170.808 -15.286 5.633 1.00 0.00 H new ATOM 0 HD11 LEU A 3 168.747 -16.105 4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 3 168.982 -16.832 6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 3 167.796 -15.525 5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 3 169.572 -13.825 4.081 1.00 0.00 H new ATOM 0 HD22 LEU A 3 168.647 -13.161 5.449 1.00 0.00 H new ATOM 0 HD23 LEU A 3 170.403 -12.889 5.347 1.00 0.00 H new ATOM 54 N LYS A 4 170.635 -13.514 10.290 1.00 0.00 N ATOM 55 CA LYS A 4 170.261 -12.797 11.507 1.00 0.00 C ATOM 56 C LYS A 4 171.342 -11.790 11.903 1.00 0.00 C ATOM 57 O LYS A 4 171.034 -10.700 12.388 1.00 0.00 O ATOM 58 CB LYS A 4 170.012 -13.778 12.658 1.00 0.00 C ATOM 59 CG LYS A 4 168.961 -14.834 12.345 1.00 0.00 C ATOM 60 CD LYS A 4 169.169 -16.098 13.166 1.00 0.00 C ATOM 61 CE LYS A 4 167.977 -16.382 14.068 1.00 0.00 C ATOM 62 NZ LYS A 4 166.882 -17.094 13.347 1.00 0.00 N ATOM 0 H LYS A 4 170.854 -14.500 10.431 1.00 0.00 H new ATOM 0 HA LYS A 4 169.339 -12.253 11.303 1.00 0.00 H new ATOM 0 HB2 LYS A 4 170.949 -14.274 12.910 1.00 0.00 H new ATOM 0 HB3 LYS A 4 169.701 -13.218 13.540 1.00 0.00 H new ATOM 0 HG2 LYS A 4 167.969 -14.430 12.545 1.00 0.00 H new ATOM 0 HG3 LYS A 4 168.997 -15.080 11.284 1.00 0.00 H new ATOM 0 HD2 LYS A 4 169.330 -16.944 12.498 1.00 0.00 H new ATOM 0 HD3 LYS A 4 170.069 -15.995 13.773 1.00 0.00 H new ATOM 0 HE2 LYS A 4 168.301 -16.983 14.917 1.00 0.00 H new ATOM 0 HE3 LYS A 4 167.595 -15.443 14.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 166.091 -17.267 14.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 166.553 -16.510 12.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 167.237 -18.002 12.986 1.00 0.00 H new ATOM 76 N CYS A 5 172.607 -12.161 11.691 1.00 0.00 N ATOM 77 CA CYS A 5 173.731 -11.286 12.024 1.00 0.00 C ATOM 78 C CYS A 5 173.740 -10.039 11.141 1.00 0.00 C ATOM 79 O CYS A 5 173.839 -8.919 11.644 1.00 0.00 O ATOM 80 CB CYS A 5 175.059 -12.034 11.878 1.00 0.00 C ATOM 81 SG CYS A 5 176.261 -11.657 13.175 1.00 0.00 S ATOM 0 H CYS A 5 172.877 -13.060 11.291 1.00 0.00 H new ATOM 0 HA CYS A 5 173.610 -10.974 13.062 1.00 0.00 H new ATOM 0 HB2 CYS A 5 174.863 -13.106 11.879 1.00 0.00 H new ATOM 0 HB3 CYS A 5 175.496 -11.791 10.910 1.00 0.00 H new ATOM 0 HG CYS A 5 177.260 -12.485 13.094 1.00 0.00 H new ATOM 87 N CYS A 6 173.639 -10.237 9.824 1.00 0.00 N ATOM 88 CA CYS A 6 173.640 -9.118 8.879 1.00 0.00 C ATOM 89 C CYS A 6 172.417 -8.224 9.081 1.00 0.00 C ATOM 90 O CYS A 6 172.518 -6.999 9.001 1.00 0.00 O ATOM 91 CB CYS A 6 173.691 -9.622 7.432 1.00 0.00 C ATOM 92 SG CYS A 6 172.201 -10.491 6.886 1.00 0.00 S ATOM 0 H CYS A 6 173.556 -11.156 9.390 1.00 0.00 H new ATOM 0 HA CYS A 6 174.535 -8.526 9.073 1.00 0.00 H new ATOM 0 HB2 CYS A 6 173.864 -8.773 6.771 1.00 0.00 H new ATOM 0 HB3 CYS A 6 174.546 -10.289 7.323 1.00 0.00 H new ATOM 0 HG CYS A 6 171.561 -10.947 7.921 1.00 0.00 H new ATOM 98 N SER A 7 171.264 -8.842 9.349 1.00 0.00 N ATOM 99 CA SER A 7 170.025 -8.098 9.569 1.00 0.00 C ATOM 100 C SER A 7 170.169 -7.134 10.745 1.00 0.00 C ATOM 101 O SER A 7 169.694 -5.999 10.685 1.00 0.00 O ATOM 102 CB SER A 7 168.854 -9.054 9.818 1.00 0.00 C ATOM 103 OG SER A 7 168.098 -9.255 8.636 1.00 0.00 O ATOM 0 H SER A 7 171.164 -9.855 9.418 1.00 0.00 H new ATOM 0 HA SER A 7 169.820 -7.520 8.668 1.00 0.00 H new ATOM 0 HB2 SER A 7 169.232 -10.011 10.178 1.00 0.00 H new ATOM 0 HB3 SER A 7 168.211 -8.650 10.600 1.00 0.00 H new ATOM 0 HG SER A 7 167.358 -9.870 8.822 1.00 0.00 H new ATOM 109 N GLY A 8 170.836 -7.589 11.809 1.00 0.00 N ATOM 110 CA GLY A 8 171.038 -6.748 12.979 1.00 0.00 C ATOM 111 C GLY A 8 171.796 -5.477 12.650 1.00 0.00 C ATOM 112 O GLY A 8 171.418 -4.392 13.094 1.00 0.00 O ATOM 0 H GLY A 8 171.239 -8.524 11.880 1.00 0.00 H new ATOM 0 HA2 GLY A 8 170.070 -6.490 13.410 1.00 0.00 H new ATOM 0 HA3 GLY A 8 171.585 -7.309 13.737 1.00 0.00 H new ATOM 116 N ILE A 9 172.860 -5.607 11.856 1.00 0.00 N ATOM 117 CA ILE A 9 173.661 -4.452 11.457 1.00 0.00 C ATOM 118 C ILE A 9 172.826 -3.499 10.607 1.00 0.00 C ATOM 119 O ILE A 9 172.849 -2.285 10.813 1.00 0.00 O ATOM 120 CB ILE A 9 174.922 -4.871 10.667 1.00 0.00 C ATOM 121 CG1 ILE A 9 175.716 -5.927 11.443 1.00 0.00 C ATOM 122 CG2 ILE A 9 175.795 -3.657 10.374 1.00 0.00 C ATOM 123 CD1 ILE A 9 176.425 -6.925 10.554 1.00 0.00 C ATOM 0 H ILE A 9 173.185 -6.497 11.479 1.00 0.00 H new ATOM 0 HA ILE A 9 173.982 -3.950 12.370 1.00 0.00 H new ATOM 0 HB ILE A 9 174.606 -5.306 9.719 1.00 0.00 H new ATOM 0 HG12 ILE A 9 176.452 -5.427 12.072 1.00 0.00 H new ATOM 0 HG13 ILE A 9 175.039 -6.462 12.108 1.00 0.00 H new ATOM 0 HG21 ILE A 9 176.678 -3.970 9.817 1.00 0.00 H new ATOM 0 HG22 ILE A 9 175.230 -2.937 9.783 1.00 0.00 H new ATOM 0 HG23 ILE A 9 176.102 -3.195 11.312 1.00 0.00 H new ATOM 0 HD11 ILE A 9 176.966 -7.642 11.171 1.00 0.00 H new ATOM 0 HD12 ILE A 9 175.693 -7.453 9.943 1.00 0.00 H new ATOM 0 HD13 ILE A 9 177.128 -6.401 9.906 1.00 0.00 H new ATOM 135 N LEU A 10 172.074 -4.062 9.662 1.00 0.00 N ATOM 136 CA LEU A 10 171.213 -3.269 8.790 1.00 0.00 C ATOM 137 C LEU A 10 170.140 -2.545 9.608 1.00 0.00 C ATOM 138 O LEU A 10 169.766 -1.415 9.292 1.00 0.00 O ATOM 139 CB LEU A 10 170.557 -4.160 7.729 1.00 0.00 C ATOM 140 CG LEU A 10 171.344 -4.310 6.422 1.00 0.00 C ATOM 141 CD1 LEU A 10 172.700 -4.955 6.680 1.00 0.00 C ATOM 142 CD2 LEU A 10 170.549 -5.127 5.412 1.00 0.00 C ATOM 0 H LEU A 10 172.045 -5.066 9.482 1.00 0.00 H new ATOM 0 HA LEU A 10 171.829 -2.524 8.287 1.00 0.00 H new ATOM 0 HB2 LEU A 10 170.401 -5.151 8.156 1.00 0.00 H new ATOM 0 HB3 LEU A 10 169.572 -3.755 7.496 1.00 0.00 H new ATOM 0 HG LEU A 10 171.512 -3.316 6.008 1.00 0.00 H new ATOM 0 HD11 LEU A 10 173.242 -5.052 5.739 1.00 0.00 H new ATOM 0 HD12 LEU A 10 173.274 -4.333 7.367 1.00 0.00 H new ATOM 0 HD13 LEU A 10 172.556 -5.942 7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 10 171.122 -5.224 4.490 1.00 0.00 H new ATOM 0 HD22 LEU A 10 170.350 -6.118 5.821 1.00 0.00 H new ATOM 0 HD23 LEU A 10 169.605 -4.625 5.201 1.00 0.00 H new ATOM 154 N LYS A 11 169.652 -3.207 10.664 1.00 0.00 N ATOM 155 CA LYS A 11 168.624 -2.633 11.534 1.00 0.00 C ATOM 156 C LYS A 11 169.091 -1.312 12.151 1.00 0.00 C ATOM 157 O LYS A 11 168.275 -0.436 12.431 1.00 0.00 O ATOM 158 CB LYS A 11 168.244 -3.626 12.639 1.00 0.00 C ATOM 159 CG LYS A 11 167.152 -3.119 13.575 1.00 0.00 C ATOM 160 CD LYS A 11 166.702 -4.198 14.549 1.00 0.00 C ATOM 161 CE LYS A 11 165.890 -3.616 15.699 1.00 0.00 C ATOM 162 NZ LYS A 11 166.324 -4.159 17.018 1.00 0.00 N ATOM 0 H LYS A 11 169.955 -4.143 10.935 1.00 0.00 H new ATOM 0 HA LYS A 11 167.746 -2.429 10.922 1.00 0.00 H new ATOM 0 HB2 LYS A 11 167.912 -4.557 12.179 1.00 0.00 H new ATOM 0 HB3 LYS A 11 169.132 -3.860 13.226 1.00 0.00 H new ATOM 0 HG2 LYS A 11 167.520 -2.257 14.131 1.00 0.00 H new ATOM 0 HG3 LYS A 11 166.299 -2.779 12.988 1.00 0.00 H new ATOM 0 HD2 LYS A 11 166.104 -4.939 14.020 1.00 0.00 H new ATOM 0 HD3 LYS A 11 167.575 -4.717 14.946 1.00 0.00 H new ATOM 0 HE2 LYS A 11 165.992 -2.531 15.702 1.00 0.00 H new ATOM 0 HE3 LYS A 11 164.834 -3.837 15.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 165.747 -3.738 17.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 166.203 -5.192 17.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 167.325 -3.926 17.177 1.00 0.00 H new ATOM 176 N GLU A 12 170.403 -1.170 12.348 1.00 0.00 N ATOM 177 CA GLU A 12 170.971 0.053 12.919 1.00 0.00 C ATOM 178 C GLU A 12 170.615 1.265 12.059 1.00 0.00 C ATOM 179 O GLU A 12 170.356 2.352 12.583 1.00 0.00 O ATOM 180 CB GLU A 12 172.492 -0.079 13.050 1.00 0.00 C ATOM 181 CG GLU A 12 173.147 1.066 13.810 1.00 0.00 C ATOM 182 CD GLU A 12 174.664 0.981 13.814 1.00 0.00 C ATOM 183 OE1 GLU A 12 175.199 -0.113 14.098 1.00 0.00 O ATOM 184 OE2 GLU A 12 175.316 2.009 13.536 1.00 0.00 O ATOM 0 H GLU A 12 171.092 -1.887 12.121 1.00 0.00 H new ATOM 0 HA GLU A 12 170.545 0.200 13.912 1.00 0.00 H new ATOM 0 HB2 GLU A 12 172.723 -1.017 13.555 1.00 0.00 H new ATOM 0 HB3 GLU A 12 172.929 -0.138 12.053 1.00 0.00 H new ATOM 0 HG2 GLU A 12 172.842 2.013 13.364 1.00 0.00 H new ATOM 0 HG3 GLU A 12 172.785 1.067 14.838 1.00 0.00 H new ATOM 191 N MET A 13 170.587 1.069 10.740 1.00 0.00 N ATOM 192 CA MET A 13 170.240 2.141 9.811 1.00 0.00 C ATOM 193 C MET A 13 168.852 2.700 10.131 1.00 0.00 C ATOM 194 O MET A 13 168.622 3.901 10.021 1.00 0.00 O ATOM 195 CB MET A 13 170.283 1.636 8.367 1.00 0.00 C ATOM 196 CG MET A 13 170.931 2.615 7.400 1.00 0.00 C ATOM 197 SD MET A 13 170.986 1.996 5.707 1.00 0.00 S ATOM 198 CE MET A 13 171.691 0.369 5.956 1.00 0.00 C ATOM 0 H MET A 13 170.801 0.178 10.293 1.00 0.00 H new ATOM 0 HA MET A 13 170.973 2.940 9.923 1.00 0.00 H new ATOM 0 HB2 MET A 13 170.829 0.693 8.337 1.00 0.00 H new ATOM 0 HB3 MET A 13 169.267 1.427 8.033 1.00 0.00 H new ATOM 0 HG2 MET A 13 170.381 3.556 7.420 1.00 0.00 H new ATOM 0 HG3 MET A 13 171.945 2.832 7.735 1.00 0.00 H new ATOM 0 HE1 MET A 13 172.096 -0.000 5.014 1.00 0.00 H new ATOM 0 HE2 MET A 13 172.489 0.428 6.696 1.00 0.00 H new ATOM 0 HE3 MET A 13 170.917 -0.312 6.310 1.00 0.00 H new ATOM 208 N PHE A 14 167.932 1.817 10.532 1.00 0.00 N ATOM 209 CA PHE A 14 166.569 2.223 10.878 1.00 0.00 C ATOM 210 C PHE A 14 166.335 2.192 12.396 1.00 0.00 C ATOM 211 O PHE A 14 165.208 2.385 12.857 1.00 0.00 O ATOM 212 CB PHE A 14 165.554 1.312 10.181 1.00 0.00 C ATOM 213 CG PHE A 14 164.798 1.993 9.077 1.00 0.00 C ATOM 214 CD1 PHE A 14 165.346 2.102 7.810 1.00 0.00 C ATOM 215 CD2 PHE A 14 163.538 2.523 9.306 1.00 0.00 C ATOM 216 CE1 PHE A 14 164.653 2.727 6.790 1.00 0.00 C ATOM 217 CE2 PHE A 14 162.841 3.149 8.291 1.00 0.00 C ATOM 218 CZ PHE A 14 163.398 3.250 7.031 1.00 0.00 C ATOM 0 H PHE A 14 168.108 0.817 10.625 1.00 0.00 H new ATOM 0 HA PHE A 14 166.435 3.250 10.537 1.00 0.00 H new ATOM 0 HB2 PHE A 14 166.075 0.446 9.773 1.00 0.00 H new ATOM 0 HB3 PHE A 14 164.845 0.939 10.920 1.00 0.00 H new ATOM 0 HD1 PHE A 14 166.327 1.694 7.616 1.00 0.00 H new ATOM 0 HD2 PHE A 14 163.096 2.446 10.289 1.00 0.00 H new ATOM 0 HE1 PHE A 14 165.092 2.806 5.807 1.00 0.00 H new ATOM 0 HE2 PHE A 14 161.861 3.559 8.483 1.00 0.00 H new ATOM 0 HZ PHE A 14 162.853 3.737 6.236 1.00 0.00 H new ATOM 228 N ALA A 15 167.398 1.957 13.173 1.00 0.00 N ATOM 229 CA ALA A 15 167.290 1.911 14.632 1.00 0.00 C ATOM 230 C ALA A 15 167.610 3.269 15.263 1.00 0.00 C ATOM 231 O ALA A 15 167.854 3.359 16.468 1.00 0.00 O ATOM 232 CB ALA A 15 168.213 0.839 15.196 1.00 0.00 C ATOM 0 H ALA A 15 168.340 1.796 12.815 1.00 0.00 H new ATOM 0 HA ALA A 15 166.258 1.662 14.881 1.00 0.00 H new ATOM 0 HB1 ALA A 15 168.123 0.816 16.282 1.00 0.00 H new ATOM 0 HB2 ALA A 15 167.934 -0.133 14.788 1.00 0.00 H new ATOM 0 HB3 ALA A 15 169.244 1.065 14.922 1.00 0.00 H new ATOM 238 N LYS A 16 167.615 4.320 14.438 1.00 0.00 N ATOM 239 CA LYS A 16 167.909 5.679 14.898 1.00 0.00 C ATOM 240 C LYS A 16 169.378 5.827 15.305 1.00 0.00 C ATOM 241 O LYS A 16 169.723 6.689 16.115 1.00 0.00 O ATOM 242 CB LYS A 16 166.988 6.069 16.064 1.00 0.00 C ATOM 243 CG LYS A 16 165.506 5.969 15.730 1.00 0.00 C ATOM 244 CD LYS A 16 164.700 7.068 16.406 1.00 0.00 C ATOM 245 CE LYS A 16 164.427 8.227 15.458 1.00 0.00 C ATOM 246 NZ LYS A 16 165.659 9.015 15.167 1.00 0.00 N ATOM 0 H LYS A 16 167.417 4.253 13.440 1.00 0.00 H new ATOM 0 HA LYS A 16 167.723 6.356 14.064 1.00 0.00 H new ATOM 0 HB2 LYS A 16 167.204 5.426 16.917 1.00 0.00 H new ATOM 0 HB3 LYS A 16 167.215 7.090 16.369 1.00 0.00 H new ATOM 0 HG2 LYS A 16 165.372 6.031 14.650 1.00 0.00 H new ATOM 0 HG3 LYS A 16 165.128 4.996 16.043 1.00 0.00 H new ATOM 0 HD2 LYS A 16 163.755 6.659 16.763 1.00 0.00 H new ATOM 0 HD3 LYS A 16 165.241 7.432 17.280 1.00 0.00 H new ATOM 0 HE2 LYS A 16 164.014 7.843 14.525 1.00 0.00 H new ATOM 0 HE3 LYS A 16 163.673 8.882 15.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 165.428 9.794 14.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 166.040 9.404 16.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 166.370 8.397 14.727 1.00 0.00 H new ATOM 260 N LYS A 17 170.240 4.987 14.727 1.00 0.00 N ATOM 261 CA LYS A 17 171.673 5.027 15.018 1.00 0.00 C ATOM 262 C LYS A 17 172.480 5.418 13.777 1.00 0.00 C ATOM 263 O LYS A 17 173.547 6.023 13.889 1.00 0.00 O ATOM 264 CB LYS A 17 172.146 3.670 15.542 1.00 0.00 C ATOM 265 CG LYS A 17 171.534 3.287 16.881 1.00 0.00 C ATOM 266 CD LYS A 17 171.478 1.778 17.057 1.00 0.00 C ATOM 267 CE LYS A 17 170.489 1.379 18.141 1.00 0.00 C ATOM 268 NZ LYS A 17 170.912 1.858 19.488 1.00 0.00 N ATOM 0 H LYS A 17 169.969 4.270 14.054 1.00 0.00 H new ATOM 0 HA LYS A 17 171.838 5.784 15.784 1.00 0.00 H new ATOM 0 HB2 LYS A 17 171.903 2.902 14.808 1.00 0.00 H new ATOM 0 HB3 LYS A 17 173.232 3.686 15.639 1.00 0.00 H new ATOM 0 HG2 LYS A 17 172.119 3.727 17.689 1.00 0.00 H new ATOM 0 HG3 LYS A 17 170.528 3.700 16.954 1.00 0.00 H new ATOM 0 HD2 LYS A 17 171.194 1.311 16.114 1.00 0.00 H new ATOM 0 HD3 LYS A 17 172.469 1.403 17.312 1.00 0.00 H new ATOM 0 HE2 LYS A 17 169.507 1.787 17.903 1.00 0.00 H new ATOM 0 HE3 LYS A 17 170.388 0.294 18.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 170.210 1.565 20.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 171.838 1.449 19.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 170.984 2.895 19.481 1.00 0.00 H new ATOM 282 N HIS A 18 171.963 5.075 12.594 1.00 0.00 N ATOM 283 CA HIS A 18 172.631 5.396 11.337 1.00 0.00 C ATOM 284 C HIS A 18 171.608 5.728 10.247 1.00 0.00 C ATOM 285 O HIS A 18 171.825 5.439 9.069 1.00 0.00 O ATOM 286 CB HIS A 18 173.518 4.229 10.894 1.00 0.00 C ATOM 287 CG HIS A 18 174.869 4.655 10.412 1.00 0.00 C ATOM 288 ND1 HIS A 18 175.746 5.391 11.182 1.00 0.00 N ATOM 289 CD2 HIS A 18 175.497 4.439 9.233 1.00 0.00 C ATOM 290 CE1 HIS A 18 176.855 5.609 10.496 1.00 0.00 C ATOM 291 NE2 HIS A 18 176.729 5.041 9.310 1.00 0.00 N ATOM 0 H HIS A 18 171.081 4.574 12.484 1.00 0.00 H new ATOM 0 HA HIS A 18 173.258 6.273 11.497 1.00 0.00 H new ATOM 0 HB2 HIS A 18 173.640 3.539 11.729 1.00 0.00 H new ATOM 0 HB3 HIS A 18 173.013 3.681 10.098 1.00 0.00 H new ATOM 0 HD1 HIS A 18 175.567 5.716 12.132 1.00 0.00 H new ATOM 0 HD2 HIS A 18 175.103 3.894 8.388 1.00 0.00 H new ATOM 0 HE1 HIS A 18 177.717 6.158 10.846 1.00 0.00 H new ATOM 300 N ALA A 19 170.493 6.338 10.651 1.00 0.00 N ATOM 301 CA ALA A 19 169.436 6.712 9.715 1.00 0.00 C ATOM 302 C ALA A 19 169.668 8.108 9.152 1.00 0.00 C ATOM 303 O ALA A 19 169.429 8.357 7.972 1.00 0.00 O ATOM 304 CB ALA A 19 168.075 6.640 10.393 1.00 0.00 C ATOM 0 H ALA A 19 170.300 6.583 11.622 1.00 0.00 H new ATOM 0 HA ALA A 19 169.457 6.003 8.887 1.00 0.00 H new ATOM 0 HB1 ALA A 19 167.299 6.922 9.682 1.00 0.00 H new ATOM 0 HB2 ALA A 19 167.896 5.623 10.742 1.00 0.00 H new ATOM 0 HB3 ALA A 19 168.055 7.324 11.242 1.00 0.00 H new ATOM 310 N ALA A 20 170.137 9.017 10.007 1.00 0.00 N ATOM 311 CA ALA A 20 170.404 10.393 9.593 1.00 0.00 C ATOM 312 C ALA A 20 171.513 10.449 8.546 1.00 0.00 C ATOM 313 O ALA A 20 171.410 11.183 7.563 1.00 0.00 O ATOM 314 CB ALA A 20 170.768 11.250 10.797 1.00 0.00 C ATOM 0 H ALA A 20 170.339 8.825 10.988 1.00 0.00 H new ATOM 0 HA ALA A 20 169.494 10.790 9.142 1.00 0.00 H new ATOM 0 HB1 ALA A 20 170.964 12.271 10.471 1.00 0.00 H new ATOM 0 HB2 ALA A 20 169.942 11.248 11.508 1.00 0.00 H new ATOM 0 HB3 ALA A 20 171.660 10.845 11.276 1.00 0.00 H new ATOM 320 N TYR A 21 172.570 9.667 8.760 1.00 0.00 N ATOM 321 CA TYR A 21 173.693 9.629 7.827 1.00 0.00 C ATOM 322 C TYR A 21 173.354 8.807 6.581 1.00 0.00 C ATOM 323 O TYR A 21 173.881 9.070 5.500 1.00 0.00 O ATOM 324 CB TYR A 21 174.940 9.060 8.511 1.00 0.00 C ATOM 325 CG TYR A 21 175.860 10.121 9.078 1.00 0.00 C ATOM 326 CD1 TYR A 21 176.213 11.239 8.329 1.00 0.00 C ATOM 327 CD2 TYR A 21 176.380 10.004 10.361 1.00 0.00 C ATOM 328 CE1 TYR A 21 177.054 12.208 8.842 1.00 0.00 C ATOM 329 CE2 TYR A 21 177.223 10.968 10.881 1.00 0.00 C ATOM 330 CZ TYR A 21 177.557 12.067 10.118 1.00 0.00 C ATOM 331 OH TYR A 21 178.399 13.028 10.633 1.00 0.00 O ATOM 0 H TYR A 21 172.672 9.054 9.569 1.00 0.00 H new ATOM 0 HA TYR A 21 173.898 10.652 7.512 1.00 0.00 H new ATOM 0 HB2 TYR A 21 174.630 8.393 9.315 1.00 0.00 H new ATOM 0 HB3 TYR A 21 175.495 8.457 7.792 1.00 0.00 H new ATOM 0 HD1 TYR A 21 175.823 11.352 7.328 1.00 0.00 H new ATOM 0 HD2 TYR A 21 176.121 9.145 10.962 1.00 0.00 H new ATOM 0 HE1 TYR A 21 177.316 13.071 8.247 1.00 0.00 H new ATOM 0 HE2 TYR A 21 177.618 10.861 11.880 1.00 0.00 H new ATOM 0 HH TYR A 21 178.663 12.778 11.543 1.00 0.00 H new ATOM 341 N ALA A 22 172.474 7.814 6.734 1.00 0.00 N ATOM 342 CA ALA A 22 172.075 6.965 5.611 1.00 0.00 C ATOM 343 C ALA A 22 170.701 7.355 5.053 1.00 0.00 C ATOM 344 O ALA A 22 170.083 6.579 4.323 1.00 0.00 O ATOM 345 CB ALA A 22 172.072 5.501 6.032 1.00 0.00 C ATOM 0 H ALA A 22 172.027 7.580 7.620 1.00 0.00 H new ATOM 0 HA ALA A 22 172.806 7.113 4.816 1.00 0.00 H new ATOM 0 HB1 ALA A 22 171.773 4.880 5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 22 173.072 5.214 6.358 1.00 0.00 H new ATOM 0 HB3 ALA A 22 171.369 5.360 6.853 1.00 0.00 H new ATOM 351 N TRP A 23 170.224 8.555 5.393 1.00 0.00 N ATOM 352 CA TRP A 23 168.924 9.022 4.914 1.00 0.00 C ATOM 353 C TRP A 23 168.975 9.347 3.418 1.00 0.00 C ATOM 354 O TRP A 23 168.191 8.807 2.637 1.00 0.00 O ATOM 355 CB TRP A 23 168.465 10.253 5.705 1.00 0.00 C ATOM 356 CG TRP A 23 167.169 10.058 6.439 1.00 0.00 C ATOM 357 CD1 TRP A 23 166.850 10.557 7.669 1.00 0.00 C ATOM 358 CD2 TRP A 23 166.020 9.319 5.996 1.00 0.00 C ATOM 359 NE1 TRP A 23 165.576 10.180 8.017 1.00 0.00 N ATOM 360 CE2 TRP A 23 165.046 9.420 7.009 1.00 0.00 C ATOM 361 CE3 TRP A 23 165.716 8.586 4.843 1.00 0.00 C ATOM 362 CZ2 TRP A 23 163.795 8.816 6.904 1.00 0.00 C ATOM 363 CZ3 TRP A 23 164.474 7.987 4.742 1.00 0.00 C ATOM 364 CH2 TRP A 23 163.527 8.106 5.767 1.00 0.00 C ATOM 0 H TRP A 23 170.716 9.216 5.994 1.00 0.00 H new ATOM 0 HA TRP A 23 168.204 8.218 5.068 1.00 0.00 H new ATOM 0 HB2 TRP A 23 169.240 10.521 6.422 1.00 0.00 H new ATOM 0 HB3 TRP A 23 168.360 11.094 5.020 1.00 0.00 H new ATOM 0 HD1 TRP A 23 167.505 11.161 8.280 1.00 0.00 H new ATOM 0 HE1 TRP A 23 165.102 10.426 8.886 1.00 0.00 H new ATOM 0 HE3 TRP A 23 166.439 8.490 4.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 163.063 8.906 7.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 164.230 7.417 3.857 1.00 0.00 H new ATOM 0 HH2 TRP A 23 162.565 7.627 5.657 1.00 0.00 H new ATOM 375 N PRO A 24 169.900 10.237 2.995 1.00 0.00 N ATOM 376 CA PRO A 24 170.039 10.623 1.584 1.00 0.00 C ATOM 377 C PRO A 24 170.591 9.493 0.717 1.00 0.00 C ATOM 378 O PRO A 24 170.353 9.459 -0.492 1.00 0.00 O ATOM 379 CB PRO A 24 171.030 11.797 1.612 1.00 0.00 C ATOM 380 CG PRO A 24 171.169 12.177 3.049 1.00 0.00 C ATOM 381 CD PRO A 24 170.879 10.936 3.841 1.00 0.00 C ATOM 0 HA PRO A 24 169.072 10.876 1.148 1.00 0.00 H new ATOM 0 HB2 PRO A 24 171.992 11.507 1.189 1.00 0.00 H new ATOM 0 HB3 PRO A 24 170.661 12.634 1.020 1.00 0.00 H new ATOM 0 HG2 PRO A 24 172.173 12.547 3.258 1.00 0.00 H new ATOM 0 HG3 PRO A 24 170.475 12.976 3.309 1.00 0.00 H new ATOM 0 HD2 PRO A 24 171.776 10.338 4.001 1.00 0.00 H new ATOM 0 HD3 PRO A 24 170.472 11.169 4.825 1.00 0.00 H new ATOM 389 N PHE A 25 171.330 8.572 1.338 1.00 0.00 N ATOM 390 CA PHE A 25 171.916 7.445 0.620 1.00 0.00 C ATOM 391 C PHE A 25 171.114 6.161 0.851 1.00 0.00 C ATOM 392 O PHE A 25 171.679 5.066 0.902 1.00 0.00 O ATOM 393 CB PHE A 25 173.375 7.249 1.049 1.00 0.00 C ATOM 394 CG PHE A 25 174.369 7.559 -0.037 1.00 0.00 C ATOM 395 CD1 PHE A 25 174.746 6.584 -0.947 1.00 0.00 C ATOM 396 CD2 PHE A 25 174.926 8.824 -0.146 1.00 0.00 C ATOM 397 CE1 PHE A 25 175.659 6.864 -1.945 1.00 0.00 C ATOM 398 CE2 PHE A 25 175.841 9.110 -1.143 1.00 0.00 C ATOM 399 CZ PHE A 25 176.207 8.129 -2.044 1.00 0.00 C ATOM 0 H PHE A 25 171.535 8.587 2.337 1.00 0.00 H new ATOM 0 HA PHE A 25 171.886 7.669 -0.446 1.00 0.00 H new ATOM 0 HB2 PHE A 25 173.580 7.885 1.910 1.00 0.00 H new ATOM 0 HB3 PHE A 25 173.514 6.218 1.374 1.00 0.00 H new ATOM 0 HD1 PHE A 25 174.321 5.594 -0.875 1.00 0.00 H new ATOM 0 HD2 PHE A 25 174.642 9.595 0.555 1.00 0.00 H new ATOM 0 HE1 PHE A 25 175.944 6.095 -2.647 1.00 0.00 H new ATOM 0 HE2 PHE A 25 176.269 10.099 -1.217 1.00 0.00 H new ATOM 0 HZ PHE A 25 176.920 8.350 -2.824 1.00 0.00 H new ATOM 409 N TYR A 26 169.793 6.298 0.979 1.00 0.00 N ATOM 410 CA TYR A 26 168.924 5.144 1.193 1.00 0.00 C ATOM 411 C TYR A 26 168.138 4.811 -0.075 1.00 0.00 C ATOM 412 O TYR A 26 168.053 3.648 -0.471 1.00 0.00 O ATOM 413 CB TYR A 26 167.958 5.395 2.356 1.00 0.00 C ATOM 414 CG TYR A 26 167.756 4.185 3.244 1.00 0.00 C ATOM 415 CD1 TYR A 26 167.417 2.951 2.701 1.00 0.00 C ATOM 416 CD2 TYR A 26 167.907 4.275 4.622 1.00 0.00 C ATOM 417 CE1 TYR A 26 167.237 1.842 3.504 1.00 0.00 C ATOM 418 CE2 TYR A 26 167.728 3.170 5.433 1.00 0.00 C ATOM 419 CZ TYR A 26 167.392 1.956 4.868 1.00 0.00 C ATOM 420 OH TYR A 26 167.213 0.852 5.670 1.00 0.00 O ATOM 0 H TYR A 26 169.305 7.193 0.938 1.00 0.00 H new ATOM 0 HA TYR A 26 169.559 4.294 1.444 1.00 0.00 H new ATOM 0 HB2 TYR A 26 168.335 6.220 2.960 1.00 0.00 H new ATOM 0 HB3 TYR A 26 166.993 5.708 1.956 1.00 0.00 H new ATOM 0 HD1 TYR A 26 167.292 2.858 1.632 1.00 0.00 H new ATOM 0 HD2 TYR A 26 168.168 5.224 5.067 1.00 0.00 H new ATOM 0 HE1 TYR A 26 166.976 0.890 3.065 1.00 0.00 H new ATOM 0 HE2 TYR A 26 167.850 3.256 6.503 1.00 0.00 H new ATOM 0 HH TYR A 26 166.371 0.939 6.164 1.00 0.00 H new ATOM 430 N LYS A 27 167.565 5.837 -0.708 1.00 0.00 N ATOM 431 CA LYS A 27 166.784 5.647 -1.932 1.00 0.00 C ATOM 432 C LYS A 27 167.671 5.727 -3.176 1.00 0.00 C ATOM 433 O LYS A 27 168.749 6.323 -3.143 1.00 0.00 O ATOM 434 CB LYS A 27 165.668 6.693 -2.024 1.00 0.00 C ATOM 435 CG LYS A 27 164.399 6.302 -1.283 1.00 0.00 C ATOM 436 CD LYS A 27 163.162 6.904 -1.936 1.00 0.00 C ATOM 437 CE LYS A 27 162.654 6.035 -3.078 1.00 0.00 C ATOM 438 NZ LYS A 27 161.170 6.099 -3.216 1.00 0.00 N ATOM 0 H LYS A 27 167.627 6.806 -0.394 1.00 0.00 H new ATOM 0 HA LYS A 27 166.341 4.652 -1.889 1.00 0.00 H new ATOM 0 HB2 LYS A 27 166.035 7.638 -1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 27 165.427 6.863 -3.073 1.00 0.00 H new ATOM 0 HG2 LYS A 27 164.309 5.216 -1.263 1.00 0.00 H new ATOM 0 HG3 LYS A 27 164.464 6.636 -0.247 1.00 0.00 H new ATOM 0 HD2 LYS A 27 162.376 7.021 -1.190 1.00 0.00 H new ATOM 0 HD3 LYS A 27 163.396 7.900 -2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 27 163.118 6.355 -4.011 1.00 0.00 H new ATOM 0 HE3 LYS A 27 162.958 5.002 -2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 160.868 5.493 -4.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 160.725 5.769 -2.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 160.881 7.080 -3.403 1.00 0.00 H new ATOM 452 N PRO A 28 167.219 5.118 -4.294 1.00 0.00 N ATOM 453 CA PRO A 28 167.964 5.111 -5.565 1.00 0.00 C ATOM 454 C PRO A 28 168.167 6.513 -6.142 1.00 0.00 C ATOM 455 O PRO A 28 167.861 7.515 -5.492 1.00 0.00 O ATOM 456 CB PRO A 28 167.075 4.282 -6.503 1.00 0.00 C ATOM 457 CG PRO A 28 166.166 3.513 -5.609 1.00 0.00 C ATOM 458 CD PRO A 28 165.948 4.380 -4.403 1.00 0.00 C ATOM 0 HA PRO A 28 168.968 4.709 -5.433 1.00 0.00 H new ATOM 0 HB2 PRO A 28 166.510 4.924 -7.179 1.00 0.00 H new ATOM 0 HB3 PRO A 28 167.673 3.615 -7.123 1.00 0.00 H new ATOM 0 HG2 PRO A 28 165.222 3.292 -6.108 1.00 0.00 H new ATOM 0 HG3 PRO A 28 166.610 2.558 -5.329 1.00 0.00 H new ATOM 0 HD2 PRO A 28 165.101 5.052 -4.537 1.00 0.00 H new ATOM 0 HD3 PRO A 28 165.747 3.787 -3.510 1.00 0.00 H new ATOM 466 N VAL A 29 168.681 6.573 -7.373 1.00 0.00 N ATOM 467 CA VAL A 29 168.923 7.846 -8.047 1.00 0.00 C ATOM 468 C VAL A 29 168.060 7.978 -9.304 1.00 0.00 C ATOM 469 O VAL A 29 168.485 7.625 -10.407 1.00 0.00 O ATOM 470 CB VAL A 29 170.414 8.027 -8.413 1.00 0.00 C ATOM 471 CG1 VAL A 29 171.227 8.358 -7.171 1.00 0.00 C ATOM 472 CG2 VAL A 29 170.967 6.786 -9.103 1.00 0.00 C ATOM 0 H VAL A 29 168.937 5.752 -7.922 1.00 0.00 H new ATOM 0 HA VAL A 29 168.647 8.632 -7.345 1.00 0.00 H new ATOM 0 HB VAL A 29 170.492 8.859 -9.113 1.00 0.00 H new ATOM 0 HG11 VAL A 29 172.275 8.483 -7.444 1.00 0.00 H new ATOM 0 HG12 VAL A 29 170.855 9.282 -6.728 1.00 0.00 H new ATOM 0 HG13 VAL A 29 171.135 7.547 -6.449 1.00 0.00 H new ATOM 0 HG21 VAL A 29 172.017 6.944 -9.348 1.00 0.00 H new ATOM 0 HG22 VAL A 29 170.875 5.928 -8.437 1.00 0.00 H new ATOM 0 HG23 VAL A 29 170.405 6.598 -10.018 1.00 0.00 H new ATOM 482 N ASP A 30 166.841 8.488 -9.119 1.00 0.00 N ATOM 483 CA ASP A 30 165.894 8.674 -10.221 1.00 0.00 C ATOM 484 C ASP A 30 166.480 9.573 -11.310 1.00 0.00 C ATOM 485 O ASP A 30 166.527 10.794 -11.160 1.00 0.00 O ATOM 486 CB ASP A 30 164.589 9.284 -9.693 1.00 0.00 C ATOM 487 CG ASP A 30 163.402 8.355 -9.849 1.00 0.00 C ATOM 488 OD1 ASP A 30 163.424 7.256 -9.255 1.00 0.00 O ATOM 489 OD2 ASP A 30 162.448 8.728 -10.563 1.00 0.00 O ATOM 0 H ASP A 30 166.484 8.782 -8.210 1.00 0.00 H new ATOM 0 HA ASP A 30 165.690 7.697 -10.658 1.00 0.00 H new ATOM 0 HB2 ASP A 30 164.711 9.536 -8.640 1.00 0.00 H new ATOM 0 HB3 ASP A 30 164.388 10.215 -10.223 1.00 0.00 H new ATOM 494 N VAL A 31 166.930 8.962 -12.406 1.00 0.00 N ATOM 495 CA VAL A 31 167.517 9.712 -13.516 1.00 0.00 C ATOM 496 C VAL A 31 166.495 10.651 -14.167 1.00 0.00 C ATOM 497 O VAL A 31 166.843 11.757 -14.580 1.00 0.00 O ATOM 498 CB VAL A 31 168.122 8.770 -14.583 1.00 0.00 C ATOM 499 CG1 VAL A 31 167.054 7.887 -15.213 1.00 0.00 C ATOM 500 CG2 VAL A 31 168.863 9.566 -15.649 1.00 0.00 C ATOM 0 H VAL A 31 166.899 7.952 -12.549 1.00 0.00 H new ATOM 0 HA VAL A 31 168.320 10.316 -13.094 1.00 0.00 H new ATOM 0 HB VAL A 31 168.838 8.118 -14.082 1.00 0.00 H new ATOM 0 HG11 VAL A 31 167.512 7.237 -15.958 1.00 0.00 H new ATOM 0 HG12 VAL A 31 166.583 7.278 -14.441 1.00 0.00 H new ATOM 0 HG13 VAL A 31 166.300 8.513 -15.691 1.00 0.00 H new ATOM 0 HG21 VAL A 31 169.280 8.883 -16.389 1.00 0.00 H new ATOM 0 HG22 VAL A 31 168.171 10.252 -16.138 1.00 0.00 H new ATOM 0 HG23 VAL A 31 169.669 10.134 -15.184 1.00 0.00 H new ATOM 510 N GLU A 32 165.238 10.210 -14.255 1.00 0.00 N ATOM 511 CA GLU A 32 164.180 11.026 -14.853 1.00 0.00 C ATOM 512 C GLU A 32 163.794 12.196 -13.946 1.00 0.00 C ATOM 513 O GLU A 32 163.674 13.332 -14.405 1.00 0.00 O ATOM 514 CB GLU A 32 162.941 10.175 -15.155 1.00 0.00 C ATOM 515 CG GLU A 32 162.392 10.381 -16.559 1.00 0.00 C ATOM 516 CD GLU A 32 161.226 9.464 -16.872 1.00 0.00 C ATOM 517 OE1 GLU A 32 160.132 9.679 -16.307 1.00 0.00 O ATOM 518 OE2 GLU A 32 161.405 8.534 -17.685 1.00 0.00 O ATOM 0 H GLU A 32 164.929 9.297 -13.921 1.00 0.00 H new ATOM 0 HA GLU A 32 164.572 11.430 -15.787 1.00 0.00 H new ATOM 0 HB2 GLU A 32 163.191 9.123 -15.022 1.00 0.00 H new ATOM 0 HB3 GLU A 32 162.162 10.411 -14.430 1.00 0.00 H new ATOM 0 HG2 GLU A 32 162.074 11.417 -16.672 1.00 0.00 H new ATOM 0 HG3 GLU A 32 163.188 10.211 -17.284 1.00 0.00 H new ATOM 525 N ALA A 33 163.586 11.907 -12.659 1.00 0.00 N ATOM 526 CA ALA A 33 163.197 12.934 -11.690 1.00 0.00 C ATOM 527 C ALA A 33 164.353 13.875 -11.354 1.00 0.00 C ATOM 528 O ALA A 33 164.180 15.094 -11.336 1.00 0.00 O ATOM 529 CB ALA A 33 162.657 12.290 -10.419 1.00 0.00 C ATOM 0 H ALA A 33 163.680 10.971 -12.264 1.00 0.00 H new ATOM 0 HA ALA A 33 162.411 13.532 -12.152 1.00 0.00 H new ATOM 0 HB1 ALA A 33 162.373 13.067 -9.710 1.00 0.00 H new ATOM 0 HB2 ALA A 33 161.785 11.683 -10.661 1.00 0.00 H new ATOM 0 HB3 ALA A 33 163.427 11.658 -9.976 1.00 0.00 H new ATOM 535 N LEU A 34 165.526 13.307 -11.074 1.00 0.00 N ATOM 536 CA LEU A 34 166.699 14.108 -10.722 1.00 0.00 C ATOM 537 C LEU A 34 167.399 14.676 -11.960 1.00 0.00 C ATOM 538 O LEU A 34 168.132 15.661 -11.861 1.00 0.00 O ATOM 539 CB LEU A 34 167.693 13.273 -9.911 1.00 0.00 C ATOM 540 CG LEU A 34 167.123 12.619 -8.649 1.00 0.00 C ATOM 541 CD1 LEU A 34 167.998 11.453 -8.213 1.00 0.00 C ATOM 542 CD2 LEU A 34 166.994 13.644 -7.529 1.00 0.00 C ATOM 0 H LEU A 34 165.689 12.300 -11.084 1.00 0.00 H new ATOM 0 HA LEU A 34 166.345 14.945 -10.120 1.00 0.00 H new ATOM 0 HB2 LEU A 34 168.096 12.491 -10.555 1.00 0.00 H new ATOM 0 HB3 LEU A 34 168.529 13.911 -9.624 1.00 0.00 H new ATOM 0 HG LEU A 34 166.129 12.235 -8.877 1.00 0.00 H new ATOM 0 HD11 LEU A 34 167.579 10.999 -7.315 1.00 0.00 H new ATOM 0 HD12 LEU A 34 168.038 10.710 -9.010 1.00 0.00 H new ATOM 0 HD13 LEU A 34 169.005 11.813 -8.002 1.00 0.00 H new ATOM 0 HD21 LEU A 34 166.587 13.162 -6.640 1.00 0.00 H new ATOM 0 HD22 LEU A 34 167.976 14.058 -7.300 1.00 0.00 H new ATOM 0 HD23 LEU A 34 166.326 14.446 -7.845 1.00 0.00 H new ATOM 554 N GLY A 35 167.173 14.056 -13.120 1.00 0.00 N ATOM 555 CA GLY A 35 167.796 14.525 -14.348 1.00 0.00 C ATOM 556 C GLY A 35 169.299 14.315 -14.357 1.00 0.00 C ATOM 557 O GLY A 35 170.061 15.275 -14.469 1.00 0.00 O ATOM 0 H GLY A 35 166.571 13.240 -13.230 1.00 0.00 H new ATOM 0 HA2 GLY A 35 167.355 14.003 -15.197 1.00 0.00 H new ATOM 0 HA3 GLY A 35 167.580 15.585 -14.479 1.00 0.00 H new ATOM 561 N LEU A 36 169.728 13.056 -14.240 1.00 0.00 N ATOM 562 CA LEU A 36 171.155 12.732 -14.235 1.00 0.00 C ATOM 563 C LEU A 36 171.496 11.701 -15.314 1.00 0.00 C ATOM 564 O LEU A 36 171.788 10.543 -15.014 1.00 0.00 O ATOM 565 CB LEU A 36 171.599 12.224 -12.852 1.00 0.00 C ATOM 566 CG LEU A 36 170.560 11.409 -12.069 1.00 0.00 C ATOM 567 CD1 LEU A 36 170.663 9.930 -12.413 1.00 0.00 C ATOM 568 CD2 LEU A 36 170.741 11.620 -10.571 1.00 0.00 C ATOM 0 H LEU A 36 169.111 12.249 -14.148 1.00 0.00 H new ATOM 0 HA LEU A 36 171.699 13.650 -14.458 1.00 0.00 H new ATOM 0 HB2 LEU A 36 172.490 11.610 -12.981 1.00 0.00 H new ATOM 0 HB3 LEU A 36 171.889 13.083 -12.247 1.00 0.00 H new ATOM 0 HG LEU A 36 169.567 11.757 -12.353 1.00 0.00 H new ATOM 0 HD11 LEU A 36 169.917 9.372 -11.847 1.00 0.00 H new ATOM 0 HD12 LEU A 36 170.487 9.791 -13.480 1.00 0.00 H new ATOM 0 HD13 LEU A 36 171.659 9.566 -12.159 1.00 0.00 H new ATOM 0 HD21 LEU A 36 169.997 11.036 -10.029 1.00 0.00 H new ATOM 0 HD22 LEU A 36 171.740 11.299 -10.276 1.00 0.00 H new ATOM 0 HD23 LEU A 36 170.615 12.677 -10.335 1.00 0.00 H new ATOM 580 N HIS A 37 171.471 12.135 -16.576 1.00 0.00 N ATOM 581 CA HIS A 37 171.790 11.250 -17.696 1.00 0.00 C ATOM 582 C HIS A 37 173.279 10.888 -17.718 1.00 0.00 C ATOM 583 O HIS A 37 173.688 9.972 -18.434 1.00 0.00 O ATOM 584 CB HIS A 37 171.391 11.897 -19.024 1.00 0.00 C ATOM 585 CG HIS A 37 169.939 11.729 -19.355 1.00 0.00 C ATOM 586 ND1 HIS A 37 169.371 10.506 -19.649 1.00 0.00 N ATOM 587 CD2 HIS A 37 168.936 12.636 -19.432 1.00 0.00 C ATOM 588 CE1 HIS A 37 168.083 10.669 -19.893 1.00 0.00 C ATOM 589 NE2 HIS A 37 167.794 11.951 -19.768 1.00 0.00 N ATOM 0 H HIS A 37 171.234 13.090 -16.846 1.00 0.00 H new ATOM 0 HA HIS A 37 171.218 10.332 -17.561 1.00 0.00 H new ATOM 0 HB2 HIS A 37 171.627 12.961 -18.987 1.00 0.00 H new ATOM 0 HB3 HIS A 37 171.991 11.465 -19.825 1.00 0.00 H new ATOM 0 HD2 HIS A 37 169.019 13.699 -19.261 1.00 0.00 H new ATOM 0 HE1 HIS A 37 167.385 9.886 -20.151 1.00 0.00 H new ATOM 0 HE2 HIS A 37 166.872 12.366 -19.900 1.00 0.00 H new ATOM 598 N ASP A 38 174.087 11.602 -16.928 1.00 0.00 N ATOM 599 CA ASP A 38 175.522 11.339 -16.864 1.00 0.00 C ATOM 600 C ASP A 38 175.820 10.086 -16.037 1.00 0.00 C ATOM 601 O ASP A 38 176.897 9.502 -16.157 1.00 0.00 O ATOM 602 CB ASP A 38 176.261 12.540 -16.269 1.00 0.00 C ATOM 603 CG ASP A 38 177.589 12.796 -16.955 1.00 0.00 C ATOM 604 OD1 ASP A 38 177.593 13.471 -18.006 1.00 0.00 O ATOM 605 OD2 ASP A 38 178.624 12.321 -16.443 1.00 0.00 O ATOM 0 H ASP A 38 173.770 12.363 -16.327 1.00 0.00 H new ATOM 0 HA ASP A 38 175.873 11.171 -17.882 1.00 0.00 H new ATOM 0 HB2 ASP A 38 175.634 13.428 -16.353 1.00 0.00 H new ATOM 0 HB3 ASP A 38 176.431 12.369 -15.206 1.00 0.00 H new ATOM 610 N TYR A 39 174.862 9.675 -15.201 1.00 0.00 N ATOM 611 CA TYR A 39 175.026 8.488 -14.364 1.00 0.00 C ATOM 612 C TYR A 39 175.316 7.252 -15.216 1.00 0.00 C ATOM 613 O TYR A 39 176.072 6.373 -14.805 1.00 0.00 O ATOM 614 CB TYR A 39 173.773 8.256 -13.515 1.00 0.00 C ATOM 615 CG TYR A 39 174.062 8.107 -12.037 1.00 0.00 C ATOM 616 CD1 TYR A 39 174.403 6.873 -11.496 1.00 0.00 C ATOM 617 CD2 TYR A 39 173.997 9.202 -11.184 1.00 0.00 C ATOM 618 CE1 TYR A 39 174.671 6.735 -10.148 1.00 0.00 C ATOM 619 CE2 TYR A 39 174.266 9.072 -9.835 1.00 0.00 C ATOM 620 CZ TYR A 39 174.601 7.836 -9.322 1.00 0.00 C ATOM 621 OH TYR A 39 174.873 7.702 -7.978 1.00 0.00 O ATOM 0 H TYR A 39 173.966 10.148 -15.087 1.00 0.00 H new ATOM 0 HA TYR A 39 175.876 8.658 -13.704 1.00 0.00 H new ATOM 0 HB2 TYR A 39 173.086 9.090 -13.660 1.00 0.00 H new ATOM 0 HB3 TYR A 39 173.265 7.359 -13.870 1.00 0.00 H new ATOM 0 HD1 TYR A 39 174.459 6.008 -12.140 1.00 0.00 H new ATOM 0 HD2 TYR A 39 173.732 10.170 -11.582 1.00 0.00 H new ATOM 0 HE1 TYR A 39 174.934 5.769 -9.743 1.00 0.00 H new ATOM 0 HE2 TYR A 39 174.214 9.933 -9.186 1.00 0.00 H new ATOM 0 HH TYR A 39 174.780 8.572 -7.537 1.00 0.00 H new ATOM 631 N CYS A 40 174.714 7.193 -16.407 1.00 0.00 N ATOM 632 CA CYS A 40 174.916 6.067 -17.321 1.00 0.00 C ATOM 633 C CYS A 40 176.358 6.028 -17.827 1.00 0.00 C ATOM 634 O CYS A 40 176.952 4.956 -17.953 1.00 0.00 O ATOM 635 CB CYS A 40 173.953 6.158 -18.509 1.00 0.00 C ATOM 636 SG CYS A 40 173.439 4.552 -19.161 1.00 0.00 S ATOM 0 H CYS A 40 174.083 7.912 -16.760 1.00 0.00 H new ATOM 0 HA CYS A 40 174.714 5.149 -16.769 1.00 0.00 H new ATOM 0 HB2 CYS A 40 173.067 6.716 -18.204 1.00 0.00 H new ATOM 0 HB3 CYS A 40 174.429 6.728 -19.307 1.00 0.00 H new ATOM 0 HG CYS A 40 172.626 4.729 -20.160 1.00 0.00 H new ATOM 642 N ASP A 41 176.912 7.206 -18.119 1.00 0.00 N ATOM 643 CA ASP A 41 178.284 7.315 -18.613 1.00 0.00 C ATOM 644 C ASP A 41 179.296 7.028 -17.504 1.00 0.00 C ATOM 645 O ASP A 41 180.334 6.412 -17.748 1.00 0.00 O ATOM 646 CB ASP A 41 178.532 8.708 -19.207 1.00 0.00 C ATOM 647 CG ASP A 41 179.511 8.690 -20.369 1.00 0.00 C ATOM 648 OD1 ASP A 41 179.514 7.703 -21.136 1.00 0.00 O ATOM 649 OD2 ASP A 41 180.273 9.669 -20.516 1.00 0.00 O ATOM 0 H ASP A 41 176.430 8.099 -18.021 1.00 0.00 H new ATOM 0 HA ASP A 41 178.417 6.568 -19.396 1.00 0.00 H new ATOM 0 HB2 ASP A 41 177.584 9.128 -19.544 1.00 0.00 H new ATOM 0 HB3 ASP A 41 178.914 9.367 -18.427 1.00 0.00 H new ATOM 654 N ILE A 42 178.987 7.478 -16.286 1.00 0.00 N ATOM 655 CA ILE A 42 179.872 7.266 -15.141 1.00 0.00 C ATOM 656 C ILE A 42 179.730 5.848 -14.583 1.00 0.00 C ATOM 657 O ILE A 42 180.723 5.136 -14.422 1.00 0.00 O ATOM 658 CB ILE A 42 179.594 8.278 -14.006 1.00 0.00 C ATOM 659 CG1 ILE A 42 179.594 9.711 -14.545 1.00 0.00 C ATOM 660 CG2 ILE A 42 180.624 8.129 -12.893 1.00 0.00 C ATOM 661 CD1 ILE A 42 178.805 10.675 -13.687 1.00 0.00 C ATOM 0 H ILE A 42 178.132 7.990 -16.068 1.00 0.00 H new ATOM 0 HA ILE A 42 180.888 7.413 -15.507 1.00 0.00 H new ATOM 0 HB ILE A 42 178.607 8.066 -13.595 1.00 0.00 H new ATOM 0 HG12 ILE A 42 180.623 10.063 -14.622 1.00 0.00 H new ATOM 0 HG13 ILE A 42 179.181 9.712 -15.554 1.00 0.00 H new ATOM 0 HG21 ILE A 42 180.413 8.849 -12.103 1.00 0.00 H new ATOM 0 HG22 ILE A 42 180.576 7.119 -12.486 1.00 0.00 H new ATOM 0 HG23 ILE A 42 181.621 8.312 -13.293 1.00 0.00 H new ATOM 0 HD11 ILE A 42 178.847 11.672 -14.127 1.00 0.00 H new ATOM 0 HD12 ILE A 42 177.767 10.347 -13.631 1.00 0.00 H new ATOM 0 HD13 ILE A 42 179.232 10.703 -12.684 1.00 0.00 H new ATOM 673 N ILE A 43 178.493 5.450 -14.281 1.00 0.00 N ATOM 674 CA ILE A 43 178.218 4.124 -13.731 1.00 0.00 C ATOM 675 C ILE A 43 177.558 3.219 -14.771 1.00 0.00 C ATOM 676 O ILE A 43 176.541 3.583 -15.364 1.00 0.00 O ATOM 677 CB ILE A 43 177.306 4.207 -12.487 1.00 0.00 C ATOM 678 CG1 ILE A 43 177.833 5.252 -11.495 1.00 0.00 C ATOM 679 CG2 ILE A 43 177.184 2.844 -11.816 1.00 0.00 C ATOM 680 CD1 ILE A 43 179.203 4.928 -10.934 1.00 0.00 C ATOM 0 H ILE A 43 177.664 6.030 -14.409 1.00 0.00 H new ATOM 0 HA ILE A 43 179.179 3.699 -13.441 1.00 0.00 H new ATOM 0 HB ILE A 43 176.314 4.517 -12.814 1.00 0.00 H new ATOM 0 HG12 ILE A 43 177.874 6.222 -11.991 1.00 0.00 H new ATOM 0 HG13 ILE A 43 177.126 5.345 -10.671 1.00 0.00 H new ATOM 0 HG21 ILE A 43 176.537 2.925 -10.942 1.00 0.00 H new ATOM 0 HG22 ILE A 43 176.756 2.129 -12.519 1.00 0.00 H new ATOM 0 HG23 ILE A 43 178.171 2.501 -11.506 1.00 0.00 H new ATOM 0 HD11 ILE A 43 179.507 5.712 -10.241 1.00 0.00 H new ATOM 0 HD12 ILE A 43 179.164 3.974 -10.408 1.00 0.00 H new ATOM 0 HD13 ILE A 43 179.924 4.864 -11.749 1.00 0.00 H new ATOM 692 N LYS A 44 178.138 2.036 -14.982 1.00 0.00 N ATOM 693 CA LYS A 44 177.598 1.076 -15.947 1.00 0.00 C ATOM 694 C LYS A 44 176.409 0.311 -15.363 1.00 0.00 C ATOM 695 O LYS A 44 175.433 0.042 -16.063 1.00 0.00 O ATOM 696 CB LYS A 44 178.683 0.088 -16.394 1.00 0.00 C ATOM 697 CG LYS A 44 179.226 -0.783 -15.270 1.00 0.00 C ATOM 698 CD LYS A 44 180.291 -1.743 -15.769 1.00 0.00 C ATOM 699 CE LYS A 44 180.546 -2.856 -14.765 1.00 0.00 C ATOM 700 NZ LYS A 44 181.830 -3.566 -15.027 1.00 0.00 N ATOM 0 H LYS A 44 178.979 1.720 -14.499 1.00 0.00 H new ATOM 0 HA LYS A 44 177.253 1.641 -16.813 1.00 0.00 H new ATOM 0 HB2 LYS A 44 178.276 -0.555 -17.174 1.00 0.00 H new ATOM 0 HB3 LYS A 44 179.507 0.646 -16.839 1.00 0.00 H new ATOM 0 HG2 LYS A 44 179.645 -0.149 -14.488 1.00 0.00 H new ATOM 0 HG3 LYS A 44 178.409 -1.347 -14.820 1.00 0.00 H new ATOM 0 HD2 LYS A 44 179.979 -2.173 -16.721 1.00 0.00 H new ATOM 0 HD3 LYS A 44 181.217 -1.198 -15.954 1.00 0.00 H new ATOM 0 HE2 LYS A 44 180.562 -2.438 -13.758 1.00 0.00 H new ATOM 0 HE3 LYS A 44 179.724 -3.571 -14.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 181.963 -4.316 -14.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 181.806 -3.987 -15.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 182.619 -2.891 -14.968 1.00 0.00 H new ATOM 714 N HIS A 45 176.504 -0.042 -14.081 1.00 0.00 N ATOM 715 CA HIS A 45 175.441 -0.782 -13.403 1.00 0.00 C ATOM 716 C HIS A 45 174.839 0.051 -12.271 1.00 0.00 C ATOM 717 O HIS A 45 175.353 0.051 -11.151 1.00 0.00 O ATOM 718 CB HIS A 45 175.986 -2.102 -12.846 1.00 0.00 C ATOM 719 CG HIS A 45 175.988 -3.229 -13.836 1.00 0.00 C ATOM 720 ND1 HIS A 45 176.268 -3.059 -15.177 1.00 0.00 N ATOM 721 CD2 HIS A 45 175.750 -4.552 -13.670 1.00 0.00 C ATOM 722 CE1 HIS A 45 176.200 -4.227 -15.791 1.00 0.00 C ATOM 723 NE2 HIS A 45 175.888 -5.148 -14.899 1.00 0.00 N ATOM 0 H HIS A 45 177.308 0.173 -13.491 1.00 0.00 H new ATOM 0 HA HIS A 45 174.658 -0.998 -14.130 1.00 0.00 H new ATOM 0 HB2 HIS A 45 177.004 -1.942 -12.492 1.00 0.00 H new ATOM 0 HB3 HIS A 45 175.390 -2.393 -11.981 1.00 0.00 H new ATOM 0 HD2 HIS A 45 175.498 -5.046 -12.743 1.00 0.00 H new ATOM 0 HE1 HIS A 45 176.371 -4.399 -16.844 1.00 0.00 H new ATOM 0 HE2 HIS A 45 175.769 -6.143 -15.092 1.00 0.00 H new ATOM 732 N PRO A 46 173.738 0.778 -12.549 1.00 0.00 N ATOM 733 CA PRO A 46 173.070 1.621 -11.547 1.00 0.00 C ATOM 734 C PRO A 46 172.432 0.804 -10.423 1.00 0.00 C ATOM 735 O PRO A 46 171.387 0.178 -10.611 1.00 0.00 O ATOM 736 CB PRO A 46 171.997 2.360 -12.355 1.00 0.00 C ATOM 737 CG PRO A 46 171.750 1.496 -13.544 1.00 0.00 C ATOM 738 CD PRO A 46 173.064 0.840 -13.861 1.00 0.00 C ATOM 0 HA PRO A 46 173.773 2.285 -11.044 1.00 0.00 H new ATOM 0 HB2 PRO A 46 171.087 2.498 -11.771 1.00 0.00 H new ATOM 0 HB3 PRO A 46 172.339 3.352 -12.651 1.00 0.00 H new ATOM 0 HG2 PRO A 46 170.983 0.751 -13.332 1.00 0.00 H new ATOM 0 HG3 PRO A 46 171.395 2.087 -14.389 1.00 0.00 H new ATOM 0 HD2 PRO A 46 172.925 -0.153 -14.289 1.00 0.00 H new ATOM 0 HD3 PRO A 46 173.640 1.420 -14.582 1.00 0.00 H new ATOM 746 N MET A 47 173.070 0.815 -9.252 1.00 0.00 N ATOM 747 CA MET A 47 172.569 0.075 -8.094 1.00 0.00 C ATOM 748 C MET A 47 172.723 0.895 -6.812 1.00 0.00 C ATOM 749 O MET A 47 173.729 1.581 -6.620 1.00 0.00 O ATOM 750 CB MET A 47 173.304 -1.262 -7.957 1.00 0.00 C ATOM 751 CG MET A 47 173.333 -2.072 -9.245 1.00 0.00 C ATOM 752 SD MET A 47 173.756 -3.803 -8.971 1.00 0.00 S ATOM 753 CE MET A 47 172.309 -4.370 -8.080 1.00 0.00 C ATOM 0 H MET A 47 173.935 1.328 -9.081 1.00 0.00 H new ATOM 0 HA MET A 47 171.508 -0.120 -8.250 1.00 0.00 H new ATOM 0 HB2 MET A 47 174.327 -1.074 -7.632 1.00 0.00 H new ATOM 0 HB3 MET A 47 172.825 -1.853 -7.176 1.00 0.00 H new ATOM 0 HG2 MET A 47 172.358 -2.013 -9.728 1.00 0.00 H new ATOM 0 HG3 MET A 47 174.056 -1.630 -9.931 1.00 0.00 H new ATOM 0 HE1 MET A 47 172.223 -5.452 -8.176 1.00 0.00 H new ATOM 0 HE2 MET A 47 172.404 -4.106 -7.027 1.00 0.00 H new ATOM 0 HE3 MET A 47 171.418 -3.897 -8.494 1.00 0.00 H new ATOM 763 N ASP A 48 171.717 0.818 -5.938 1.00 0.00 N ATOM 764 CA ASP A 48 171.735 1.551 -4.672 1.00 0.00 C ATOM 765 C ASP A 48 171.443 0.622 -3.493 1.00 0.00 C ATOM 766 O ASP A 48 171.062 -0.535 -3.683 1.00 0.00 O ATOM 767 CB ASP A 48 170.711 2.692 -4.702 1.00 0.00 C ATOM 768 CG ASP A 48 171.362 4.052 -4.863 1.00 0.00 C ATOM 769 OD1 ASP A 48 171.976 4.295 -5.922 1.00 0.00 O ATOM 770 OD2 ASP A 48 171.256 4.875 -3.929 1.00 0.00 O ATOM 0 H ASP A 48 170.879 0.255 -6.085 1.00 0.00 H new ATOM 0 HA ASP A 48 172.733 1.969 -4.541 1.00 0.00 H new ATOM 0 HB2 ASP A 48 170.013 2.528 -5.523 1.00 0.00 H new ATOM 0 HB3 ASP A 48 170.129 2.678 -3.780 1.00 0.00 H new ATOM 775 N MET A 49 171.623 1.139 -2.275 1.00 0.00 N ATOM 776 CA MET A 49 171.379 0.357 -1.060 1.00 0.00 C ATOM 777 C MET A 49 169.935 -0.144 -0.997 1.00 0.00 C ATOM 778 O MET A 49 169.671 -1.222 -0.463 1.00 0.00 O ATOM 779 CB MET A 49 171.691 1.188 0.190 1.00 0.00 C ATOM 780 CG MET A 49 172.824 0.618 1.031 1.00 0.00 C ATOM 781 SD MET A 49 173.936 1.892 1.661 1.00 0.00 S ATOM 782 CE MET A 49 172.857 2.760 2.797 1.00 0.00 C ATOM 0 H MET A 49 171.936 2.094 -2.104 1.00 0.00 H new ATOM 0 HA MET A 49 172.042 -0.507 -1.092 1.00 0.00 H new ATOM 0 HB2 MET A 49 171.949 2.203 -0.113 1.00 0.00 H new ATOM 0 HB3 MET A 49 170.793 1.257 0.804 1.00 0.00 H new ATOM 0 HG2 MET A 49 172.404 0.062 1.869 1.00 0.00 H new ATOM 0 HG3 MET A 49 173.394 -0.091 0.431 1.00 0.00 H new ATOM 0 HE1 MET A 49 172.960 3.835 2.648 1.00 0.00 H new ATOM 0 HE2 MET A 49 171.824 2.466 2.614 1.00 0.00 H new ATOM 0 HE3 MET A 49 173.130 2.508 3.822 1.00 0.00 H new ATOM 792 N SER A 50 169.006 0.640 -1.547 1.00 0.00 N ATOM 793 CA SER A 50 167.594 0.268 -1.554 1.00 0.00 C ATOM 794 C SER A 50 167.374 -1.023 -2.338 1.00 0.00 C ATOM 795 O SER A 50 166.615 -1.895 -1.914 1.00 0.00 O ATOM 796 CB SER A 50 166.751 1.394 -2.160 1.00 0.00 C ATOM 797 OG SER A 50 165.525 1.549 -1.464 1.00 0.00 O ATOM 0 H SER A 50 169.208 1.535 -1.992 1.00 0.00 H new ATOM 0 HA SER A 50 167.283 0.104 -0.522 1.00 0.00 H new ATOM 0 HB2 SER A 50 167.311 2.329 -2.128 1.00 0.00 H new ATOM 0 HB3 SER A 50 166.551 1.178 -3.210 1.00 0.00 H new ATOM 0 HG SER A 50 165.008 2.275 -1.871 1.00 0.00 H new ATOM 803 N THR A 51 168.046 -1.139 -3.483 1.00 0.00 N ATOM 804 CA THR A 51 167.929 -2.324 -4.329 1.00 0.00 C ATOM 805 C THR A 51 168.469 -3.561 -3.611 1.00 0.00 C ATOM 806 O THR A 51 167.888 -4.644 -3.704 1.00 0.00 O ATOM 807 CB THR A 51 168.670 -2.108 -5.654 1.00 0.00 C ATOM 808 OG1 THR A 51 168.192 -0.946 -6.310 1.00 0.00 O ATOM 809 CG2 THR A 51 168.528 -3.267 -6.619 1.00 0.00 C ATOM 0 H THR A 51 168.678 -0.425 -3.846 1.00 0.00 H new ATOM 0 HA THR A 51 166.873 -2.489 -4.542 1.00 0.00 H new ATOM 0 HB THR A 51 169.721 -2.009 -5.383 1.00 0.00 H new ATOM 0 HG1 THR A 51 168.677 -0.823 -7.153 1.00 0.00 H new ATOM 0 HG21 THR A 51 169.077 -3.047 -7.535 1.00 0.00 H new ATOM 0 HG22 THR A 51 168.931 -4.172 -6.163 1.00 0.00 H new ATOM 0 HG23 THR A 51 167.474 -3.417 -6.854 1.00 0.00 H new ATOM 817 N ILE A 52 169.578 -3.393 -2.888 1.00 0.00 N ATOM 818 CA ILE A 52 170.188 -4.496 -2.149 1.00 0.00 C ATOM 819 C ILE A 52 169.324 -4.893 -0.952 1.00 0.00 C ATOM 820 O ILE A 52 169.094 -6.078 -0.708 1.00 0.00 O ATOM 821 CB ILE A 52 171.611 -4.136 -1.657 1.00 0.00 C ATOM 822 CG1 ILE A 52 172.461 -3.594 -2.811 1.00 0.00 C ATOM 823 CG2 ILE A 52 172.283 -5.352 -1.033 1.00 0.00 C ATOM 824 CD1 ILE A 52 173.653 -2.778 -2.356 1.00 0.00 C ATOM 0 H ILE A 52 170.070 -2.504 -2.800 1.00 0.00 H new ATOM 0 HA ILE A 52 170.261 -5.338 -2.837 1.00 0.00 H new ATOM 0 HB ILE A 52 171.523 -3.359 -0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 52 172.813 -4.430 -3.415 1.00 0.00 H new ATOM 0 HG13 ILE A 52 171.834 -2.977 -3.455 1.00 0.00 H new ATOM 0 HG21 ILE A 52 173.282 -5.081 -0.693 1.00 0.00 H new ATOM 0 HG22 ILE A 52 171.693 -5.699 -0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 52 172.356 -6.148 -1.774 1.00 0.00 H new ATOM 0 HD11 ILE A 52 174.208 -2.428 -3.226 1.00 0.00 H new ATOM 0 HD12 ILE A 52 173.308 -1.922 -1.777 1.00 0.00 H new ATOM 0 HD13 ILE A 52 174.303 -3.397 -1.737 1.00 0.00 H new ATOM 836 N LYS A 53 168.839 -3.896 -0.210 1.00 0.00 N ATOM 837 CA LYS A 53 167.996 -4.150 0.957 1.00 0.00 C ATOM 838 C LYS A 53 166.669 -4.787 0.549 1.00 0.00 C ATOM 839 O LYS A 53 166.172 -5.681 1.233 1.00 0.00 O ATOM 840 CB LYS A 53 167.734 -2.854 1.731 1.00 0.00 C ATOM 841 CG LYS A 53 168.304 -2.860 3.141 1.00 0.00 C ATOM 842 CD LYS A 53 167.231 -3.147 4.184 1.00 0.00 C ATOM 843 CE LYS A 53 166.241 -1.996 4.310 1.00 0.00 C ATOM 844 NZ LYS A 53 165.298 -2.191 5.448 1.00 0.00 N ATOM 0 H LYS A 53 169.015 -2.909 -0.396 1.00 0.00 H new ATOM 0 HA LYS A 53 168.531 -4.846 1.604 1.00 0.00 H new ATOM 0 HB2 LYS A 53 168.163 -2.018 1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 53 166.659 -2.683 1.784 1.00 0.00 H new ATOM 0 HG2 LYS A 53 169.090 -3.612 3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 53 168.766 -1.895 3.351 1.00 0.00 H new ATOM 0 HD2 LYS A 53 166.697 -4.058 3.914 1.00 0.00 H new ATOM 0 HD3 LYS A 53 167.702 -3.328 5.150 1.00 0.00 H new ATOM 0 HE2 LYS A 53 166.786 -1.062 4.447 1.00 0.00 H new ATOM 0 HE3 LYS A 53 165.676 -1.901 3.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 165.144 -1.283 5.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 164.391 -2.551 5.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 165.701 -2.876 6.119 1.00 0.00 H new ATOM 858 N SER A 54 166.098 -4.323 -0.566 1.00 0.00 N ATOM 859 CA SER A 54 164.827 -4.850 -1.055 1.00 0.00 C ATOM 860 C SER A 54 164.909 -6.359 -1.292 1.00 0.00 C ATOM 861 O SER A 54 163.964 -7.090 -0.991 1.00 0.00 O ATOM 862 CB SER A 54 164.410 -4.127 -2.341 1.00 0.00 C ATOM 863 OG SER A 54 165.056 -4.674 -3.481 1.00 0.00 O ATOM 0 H SER A 54 166.498 -3.584 -1.145 1.00 0.00 H new ATOM 0 HA SER A 54 164.071 -4.671 -0.291 1.00 0.00 H new ATOM 0 HB2 SER A 54 163.329 -4.198 -2.465 1.00 0.00 H new ATOM 0 HB3 SER A 54 164.652 -3.067 -2.258 1.00 0.00 H new ATOM 0 HG SER A 54 166.026 -4.575 -3.386 1.00 0.00 H new ATOM 869 N LYS A 55 166.046 -6.824 -1.816 1.00 0.00 N ATOM 870 CA LYS A 55 166.241 -8.251 -2.069 1.00 0.00 C ATOM 871 C LYS A 55 166.151 -9.027 -0.759 1.00 0.00 C ATOM 872 O LYS A 55 165.416 -10.009 -0.657 1.00 0.00 O ATOM 873 CB LYS A 55 167.598 -8.504 -2.736 1.00 0.00 C ATOM 874 CG LYS A 55 167.494 -8.956 -4.185 1.00 0.00 C ATOM 875 CD LYS A 55 166.882 -7.877 -5.068 1.00 0.00 C ATOM 876 CE LYS A 55 167.941 -7.157 -5.890 1.00 0.00 C ATOM 877 NZ LYS A 55 168.041 -7.698 -7.277 1.00 0.00 N ATOM 0 H LYS A 55 166.840 -6.236 -2.071 1.00 0.00 H new ATOM 0 HA LYS A 55 165.457 -8.593 -2.745 1.00 0.00 H new ATOM 0 HB2 LYS A 55 168.190 -7.590 -2.692 1.00 0.00 H new ATOM 0 HB3 LYS A 55 168.137 -9.261 -2.167 1.00 0.00 H new ATOM 0 HG2 LYS A 55 168.485 -9.213 -4.558 1.00 0.00 H new ATOM 0 HG3 LYS A 55 166.888 -9.860 -4.242 1.00 0.00 H new ATOM 0 HD2 LYS A 55 166.146 -8.326 -5.735 1.00 0.00 H new ATOM 0 HD3 LYS A 55 166.351 -7.156 -4.447 1.00 0.00 H new ATOM 0 HE2 LYS A 55 167.705 -6.094 -5.933 1.00 0.00 H new ATOM 0 HE3 LYS A 55 168.908 -7.249 -5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 168.774 -7.178 -7.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 168.292 -8.707 -7.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 167.127 -7.587 -7.760 1.00 0.00 H new ATOM 891 N LEU A 56 166.891 -8.564 0.248 1.00 0.00 N ATOM 892 CA LEU A 56 166.887 -9.198 1.565 1.00 0.00 C ATOM 893 C LEU A 56 165.494 -9.111 2.197 1.00 0.00 C ATOM 894 O LEU A 56 165.070 -10.025 2.906 1.00 0.00 O ATOM 895 CB LEU A 56 167.934 -8.532 2.471 1.00 0.00 C ATOM 896 CG LEU A 56 167.864 -8.903 3.959 1.00 0.00 C ATOM 897 CD1 LEU A 56 168.339 -10.332 4.181 1.00 0.00 C ATOM 898 CD2 LEU A 56 168.695 -7.932 4.787 1.00 0.00 C ATOM 0 H LEU A 56 167.502 -7.750 0.176 1.00 0.00 H new ATOM 0 HA LEU A 56 167.143 -10.251 1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 56 168.925 -8.789 2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 56 167.830 -7.451 2.380 1.00 0.00 H new ATOM 0 HG LEU A 56 166.825 -8.835 4.281 1.00 0.00 H new ATOM 0 HD11 LEU A 56 168.281 -10.574 5.242 1.00 0.00 H new ATOM 0 HD12 LEU A 56 167.706 -11.017 3.617 1.00 0.00 H new ATOM 0 HD13 LEU A 56 169.371 -10.429 3.842 1.00 0.00 H new ATOM 0 HD21 LEU A 56 168.635 -8.208 5.840 1.00 0.00 H new ATOM 0 HD22 LEU A 56 169.734 -7.972 4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 56 168.311 -6.920 4.655 1.00 0.00 H new ATOM 910 N GLU A 57 164.785 -8.011 1.924 1.00 0.00 N ATOM 911 CA GLU A 57 163.437 -7.804 2.454 1.00 0.00 C ATOM 912 C GLU A 57 162.465 -8.853 1.914 1.00 0.00 C ATOM 913 O GLU A 57 161.589 -9.327 2.638 1.00 0.00 O ATOM 914 CB GLU A 57 162.930 -6.400 2.106 1.00 0.00 C ATOM 915 CG GLU A 57 163.676 -5.290 2.833 1.00 0.00 C ATOM 916 CD GLU A 57 162.757 -4.303 3.535 1.00 0.00 C ATOM 917 OE1 GLU A 57 161.669 -4.715 3.991 1.00 0.00 O ATOM 918 OE2 GLU A 57 163.135 -3.116 3.638 1.00 0.00 O ATOM 0 H GLU A 57 165.125 -7.249 1.337 1.00 0.00 H new ATOM 0 HA GLU A 57 163.489 -7.906 3.538 1.00 0.00 H new ATOM 0 HB2 GLU A 57 163.021 -6.245 1.031 1.00 0.00 H new ATOM 0 HB3 GLU A 57 161.869 -6.334 2.349 1.00 0.00 H new ATOM 0 HG2 GLU A 57 164.348 -5.735 3.567 1.00 0.00 H new ATOM 0 HG3 GLU A 57 164.297 -4.751 2.118 1.00 0.00 H new ATOM 925 N ALA A 58 162.622 -9.215 0.638 1.00 0.00 N ATOM 926 CA ALA A 58 161.752 -10.212 0.010 1.00 0.00 C ATOM 927 C ALA A 58 162.303 -11.637 0.161 1.00 0.00 C ATOM 928 O ALA A 58 161.859 -12.554 -0.533 1.00 0.00 O ATOM 929 CB ALA A 58 161.544 -9.879 -1.462 1.00 0.00 C ATOM 0 H ALA A 58 163.340 -8.834 0.022 1.00 0.00 H new ATOM 0 HA ALA A 58 160.793 -10.178 0.526 1.00 0.00 H new ATOM 0 HB1 ALA A 58 160.896 -10.628 -1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 58 161.081 -8.896 -1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 58 162.507 -9.874 -1.973 1.00 0.00 H new ATOM 935 N ARG A 59 163.268 -11.821 1.068 1.00 0.00 N ATOM 936 CA ARG A 59 163.877 -13.132 1.306 1.00 0.00 C ATOM 937 C ARG A 59 164.624 -13.640 0.069 1.00 0.00 C ATOM 938 O ARG A 59 164.781 -14.848 -0.116 1.00 0.00 O ATOM 939 CB ARG A 59 162.816 -14.155 1.734 1.00 0.00 C ATOM 940 CG ARG A 59 163.214 -14.965 2.959 1.00 0.00 C ATOM 941 CD ARG A 59 162.264 -14.731 4.124 1.00 0.00 C ATOM 942 NE ARG A 59 160.897 -15.160 3.821 1.00 0.00 N ATOM 943 CZ ARG A 59 159.817 -14.743 4.492 1.00 0.00 C ATOM 944 NH1 ARG A 59 159.943 -13.907 5.520 1.00 0.00 N ATOM 945 NH2 ARG A 59 158.609 -15.168 4.140 1.00 0.00 N ATOM 0 H ARG A 59 163.645 -11.074 1.651 1.00 0.00 H new ATOM 0 HA ARG A 59 164.600 -13.011 2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 59 161.882 -13.633 1.941 1.00 0.00 H new ATOM 0 HB3 ARG A 59 162.624 -14.836 0.905 1.00 0.00 H new ATOM 0 HG2 ARG A 59 163.225 -16.025 2.706 1.00 0.00 H new ATOM 0 HG3 ARG A 59 164.228 -14.698 3.257 1.00 0.00 H new ATOM 0 HD2 ARG A 59 162.626 -15.270 4.999 1.00 0.00 H new ATOM 0 HD3 ARG A 59 162.262 -13.672 4.381 1.00 0.00 H new ATOM 0 HE ARG A 59 160.760 -15.816 3.052 1.00 0.00 H new ATOM 0 HH11 ARG A 59 160.867 -13.580 5.801 1.00 0.00 H new ATOM 0 HH12 ARG A 59 159.115 -13.593 6.027 1.00 0.00 H new ATOM 0 HH21 ARG A 59 158.503 -15.813 3.357 1.00 0.00 H new ATOM 0 HH22 ARG A 59 157.787 -14.849 4.653 1.00 0.00 H new ATOM 959 N GLU A 60 165.097 -12.714 -0.767 1.00 0.00 N ATOM 960 CA GLU A 60 165.838 -13.076 -1.974 1.00 0.00 C ATOM 961 C GLU A 60 167.287 -13.420 -1.636 1.00 0.00 C ATOM 962 O GLU A 60 167.880 -14.315 -2.241 1.00 0.00 O ATOM 963 CB GLU A 60 165.798 -11.938 -2.998 1.00 0.00 C ATOM 964 CG GLU A 60 164.391 -11.554 -3.440 1.00 0.00 C ATOM 965 CD GLU A 60 164.365 -10.816 -4.770 1.00 0.00 C ATOM 966 OE1 GLU A 60 165.257 -11.061 -5.611 1.00 0.00 O ATOM 967 OE2 GLU A 60 163.448 -9.992 -4.968 1.00 0.00 O ATOM 0 H GLU A 60 164.980 -11.710 -0.630 1.00 0.00 H new ATOM 0 HA GLU A 60 165.361 -13.955 -2.408 1.00 0.00 H new ATOM 0 HB2 GLU A 60 166.286 -11.062 -2.572 1.00 0.00 H new ATOM 0 HB3 GLU A 60 166.376 -12.230 -3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 60 163.783 -12.455 -3.519 1.00 0.00 H new ATOM 0 HG3 GLU A 60 163.934 -10.927 -2.674 1.00 0.00 H new ATOM 974 N TYR A 61 167.851 -12.708 -0.658 1.00 0.00 N ATOM 975 CA TYR A 61 169.227 -12.944 -0.233 1.00 0.00 C ATOM 976 C TYR A 61 169.318 -14.202 0.622 1.00 0.00 C ATOM 977 O TYR A 61 168.982 -14.187 1.807 1.00 0.00 O ATOM 978 CB TYR A 61 169.766 -11.736 0.541 1.00 0.00 C ATOM 979 CG TYR A 61 170.526 -10.755 -0.325 1.00 0.00 C ATOM 980 CD1 TYR A 61 171.549 -11.188 -1.161 1.00 0.00 C ATOM 981 CD2 TYR A 61 170.222 -9.399 -0.308 1.00 0.00 C ATOM 982 CE1 TYR A 61 172.245 -10.300 -1.956 1.00 0.00 C ATOM 983 CE2 TYR A 61 170.916 -8.506 -1.101 1.00 0.00 C ATOM 984 CZ TYR A 61 171.925 -8.961 -1.922 1.00 0.00 C ATOM 985 OH TYR A 61 172.616 -8.073 -2.712 1.00 0.00 O ATOM 0 H TYR A 61 167.374 -11.965 -0.148 1.00 0.00 H new ATOM 0 HA TYR A 61 169.838 -13.087 -1.124 1.00 0.00 H new ATOM 0 HB2 TYR A 61 168.933 -11.219 1.017 1.00 0.00 H new ATOM 0 HB3 TYR A 61 170.421 -12.088 1.338 1.00 0.00 H new ATOM 0 HD1 TYR A 61 171.803 -12.237 -1.189 1.00 0.00 H new ATOM 0 HD2 TYR A 61 169.432 -9.038 0.334 1.00 0.00 H new ATOM 0 HE1 TYR A 61 173.036 -10.653 -2.601 1.00 0.00 H new ATOM 0 HE2 TYR A 61 170.669 -7.455 -1.078 1.00 0.00 H new ATOM 0 HH TYR A 61 171.982 -7.537 -3.233 1.00 0.00 H new ATOM 995 N ARG A 62 169.772 -15.293 0.007 1.00 0.00 N ATOM 996 CA ARG A 62 169.908 -16.569 0.704 1.00 0.00 C ATOM 997 C ARG A 62 170.910 -16.471 1.857 1.00 0.00 C ATOM 998 O ARG A 62 170.780 -17.178 2.857 1.00 0.00 O ATOM 999 CB ARG A 62 170.343 -17.668 -0.270 1.00 0.00 C ATOM 1000 CG ARG A 62 169.281 -18.030 -1.298 1.00 0.00 C ATOM 1001 CD ARG A 62 169.861 -18.852 -2.440 1.00 0.00 C ATOM 1002 NE ARG A 62 170.027 -20.262 -2.081 1.00 0.00 N ATOM 1003 CZ ARG A 62 170.235 -21.241 -2.967 1.00 0.00 C ATOM 1004 NH1 ARG A 62 170.309 -20.972 -4.270 1.00 0.00 N ATOM 1005 NH2 ARG A 62 170.372 -22.495 -2.550 1.00 0.00 N ATOM 0 H ARG A 62 170.052 -15.318 -0.974 1.00 0.00 H new ATOM 0 HA ARG A 62 168.933 -16.823 1.119 1.00 0.00 H new ATOM 0 HB2 ARG A 62 171.244 -17.344 -0.790 1.00 0.00 H new ATOM 0 HB3 ARG A 62 170.606 -18.561 0.297 1.00 0.00 H new ATOM 0 HG2 ARG A 62 168.482 -18.592 -0.814 1.00 0.00 H new ATOM 0 HG3 ARG A 62 168.834 -17.119 -1.696 1.00 0.00 H new ATOM 0 HD2 ARG A 62 169.207 -18.775 -3.309 1.00 0.00 H new ATOM 0 HD3 ARG A 62 170.826 -18.437 -2.730 1.00 0.00 H new ATOM 0 HE ARG A 62 169.981 -20.513 -1.093 1.00 0.00 H new ATOM 0 HH11 ARG A 62 170.207 -20.012 -4.599 1.00 0.00 H new ATOM 0 HH12 ARG A 62 170.468 -21.726 -4.938 1.00 0.00 H new ATOM 0 HH21 ARG A 62 170.318 -22.710 -1.554 1.00 0.00 H new ATOM 0 HH22 ARG A 62 170.531 -23.243 -3.225 1.00 0.00 H new ATOM 1019 N ASP A 63 171.909 -15.594 1.712 1.00 0.00 N ATOM 1020 CA ASP A 63 172.928 -15.415 2.746 1.00 0.00 C ATOM 1021 C ASP A 63 173.563 -14.026 2.670 1.00 0.00 C ATOM 1022 O ASP A 63 173.430 -13.323 1.664 1.00 0.00 O ATOM 1023 CB ASP A 63 174.012 -16.492 2.613 1.00 0.00 C ATOM 1024 CG ASP A 63 174.593 -16.903 3.952 1.00 0.00 C ATOM 1025 OD1 ASP A 63 175.401 -16.132 4.512 1.00 0.00 O ATOM 1026 OD2 ASP A 63 174.239 -17.995 4.442 1.00 0.00 O ATOM 0 H ASP A 63 172.032 -15.000 0.892 1.00 0.00 H new ATOM 0 HA ASP A 63 172.439 -15.511 3.715 1.00 0.00 H new ATOM 0 HB2 ASP A 63 173.590 -17.368 2.120 1.00 0.00 H new ATOM 0 HB3 ASP A 63 174.812 -16.120 1.973 1.00 0.00 H new ATOM 1031 N ALA A 64 174.266 -13.645 3.740 1.00 0.00 N ATOM 1032 CA ALA A 64 174.942 -12.349 3.804 1.00 0.00 C ATOM 1033 C ALA A 64 176.128 -12.288 2.839 1.00 0.00 C ATOM 1034 O ALA A 64 176.633 -11.204 2.539 1.00 0.00 O ATOM 1035 CB ALA A 64 175.406 -12.062 5.226 1.00 0.00 C ATOM 0 H ALA A 64 174.381 -14.219 4.576 1.00 0.00 H new ATOM 0 HA ALA A 64 174.225 -11.585 3.503 1.00 0.00 H new ATOM 0 HB1 ALA A 64 175.907 -11.094 5.257 1.00 0.00 H new ATOM 0 HB2 ALA A 64 174.545 -12.046 5.894 1.00 0.00 H new ATOM 0 HB3 ALA A 64 176.099 -12.840 5.547 1.00 0.00 H new ATOM 1041 N GLN A 65 176.566 -13.451 2.347 1.00 0.00 N ATOM 1042 CA GLN A 65 177.685 -13.515 1.413 1.00 0.00 C ATOM 1043 C GLN A 65 177.340 -12.777 0.120 1.00 0.00 C ATOM 1044 O GLN A 65 178.150 -12.009 -0.400 1.00 0.00 O ATOM 1045 CB GLN A 65 178.039 -14.975 1.107 1.00 0.00 C ATOM 1046 CG GLN A 65 179.535 -15.251 1.090 1.00 0.00 C ATOM 1047 CD GLN A 65 180.024 -15.891 2.374 1.00 0.00 C ATOM 1048 OE1 GLN A 65 179.807 -17.080 2.610 1.00 0.00 O ATOM 1049 NE2 GLN A 65 180.689 -15.105 3.214 1.00 0.00 N ATOM 0 H GLN A 65 176.161 -14.357 2.582 1.00 0.00 H new ATOM 0 HA GLN A 65 178.548 -13.033 1.872 1.00 0.00 H new ATOM 0 HB2 GLN A 65 177.568 -15.617 1.851 1.00 0.00 H new ATOM 0 HB3 GLN A 65 177.617 -15.247 0.139 1.00 0.00 H new ATOM 0 HG2 GLN A 65 179.771 -15.904 0.250 1.00 0.00 H new ATOM 0 HG3 GLN A 65 180.071 -14.316 0.927 1.00 0.00 H new ATOM 0 HE21 GLN A 65 180.847 -14.125 2.979 1.00 0.00 H new ATOM 0 HE22 GLN A 65 181.042 -15.482 4.094 1.00 0.00 H new ATOM 1058 N GLU A 66 176.128 -13.005 -0.384 1.00 0.00 N ATOM 1059 CA GLU A 66 175.668 -12.351 -1.606 1.00 0.00 C ATOM 1060 C GLU A 66 175.405 -10.864 -1.361 1.00 0.00 C ATOM 1061 O GLU A 66 175.652 -10.030 -2.233 1.00 0.00 O ATOM 1062 CB GLU A 66 174.399 -13.029 -2.128 1.00 0.00 C ATOM 1063 CG GLU A 66 174.625 -14.450 -2.622 1.00 0.00 C ATOM 1064 CD GLU A 66 173.746 -14.800 -3.807 1.00 0.00 C ATOM 1065 OE1 GLU A 66 174.058 -14.351 -4.930 1.00 0.00 O ATOM 1066 OE2 GLU A 66 172.747 -15.524 -3.612 1.00 0.00 O ATOM 0 H GLU A 66 175.447 -13.638 0.036 1.00 0.00 H new ATOM 0 HA GLU A 66 176.453 -12.444 -2.356 1.00 0.00 H new ATOM 0 HB2 GLU A 66 173.653 -13.044 -1.334 1.00 0.00 H new ATOM 0 HB3 GLU A 66 173.987 -12.432 -2.942 1.00 0.00 H new ATOM 0 HG2 GLU A 66 175.671 -14.572 -2.902 1.00 0.00 H new ATOM 0 HG3 GLU A 66 174.429 -15.149 -1.809 1.00 0.00 H new ATOM 1073 N PHE A 67 174.912 -10.539 -0.163 1.00 0.00 N ATOM 1074 CA PHE A 67 174.627 -9.151 0.205 1.00 0.00 C ATOM 1075 C PHE A 67 175.905 -8.318 0.170 1.00 0.00 C ATOM 1076 O PHE A 67 175.934 -7.232 -0.410 1.00 0.00 O ATOM 1077 CB PHE A 67 174.003 -9.088 1.603 1.00 0.00 C ATOM 1078 CG PHE A 67 173.466 -7.731 1.977 1.00 0.00 C ATOM 1079 CD1 PHE A 67 174.312 -6.739 2.451 1.00 0.00 C ATOM 1080 CD2 PHE A 67 172.114 -7.452 1.860 1.00 0.00 C ATOM 1081 CE1 PHE A 67 173.817 -5.496 2.800 1.00 0.00 C ATOM 1082 CE2 PHE A 67 171.615 -6.211 2.207 1.00 0.00 C ATOM 1083 CZ PHE A 67 172.468 -5.232 2.677 1.00 0.00 C ATOM 0 H PHE A 67 174.702 -11.219 0.568 1.00 0.00 H new ATOM 0 HA PHE A 67 173.920 -8.742 -0.517 1.00 0.00 H new ATOM 0 HB2 PHE A 67 173.193 -9.816 1.661 1.00 0.00 H new ATOM 0 HB3 PHE A 67 174.752 -9.385 2.337 1.00 0.00 H new ATOM 0 HD1 PHE A 67 175.369 -6.940 2.548 1.00 0.00 H new ATOM 0 HD2 PHE A 67 171.442 -8.214 1.493 1.00 0.00 H new ATOM 0 HE1 PHE A 67 174.486 -4.732 3.169 1.00 0.00 H new ATOM 0 HE2 PHE A 67 170.559 -6.007 2.111 1.00 0.00 H new ATOM 0 HZ PHE A 67 172.080 -4.261 2.948 1.00 0.00 H new ATOM 1093 N GLY A 68 176.960 -8.845 0.793 1.00 0.00 N ATOM 1094 CA GLY A 68 178.238 -8.155 0.828 1.00 0.00 C ATOM 1095 C GLY A 68 178.829 -7.938 -0.555 1.00 0.00 C ATOM 1096 O GLY A 68 179.511 -6.939 -0.789 1.00 0.00 O ATOM 0 H GLY A 68 176.949 -9.743 1.276 1.00 0.00 H new ATOM 0 HA2 GLY A 68 178.111 -7.190 1.319 1.00 0.00 H new ATOM 0 HA3 GLY A 68 178.940 -8.730 1.432 1.00 0.00 H new ATOM 1100 N ALA A 69 178.564 -8.870 -1.475 1.00 0.00 N ATOM 1101 CA ALA A 69 179.073 -8.767 -2.842 1.00 0.00 C ATOM 1102 C ALA A 69 178.557 -7.502 -3.526 1.00 0.00 C ATOM 1103 O ALA A 69 179.317 -6.790 -4.184 1.00 0.00 O ATOM 1104 CB ALA A 69 178.688 -9.998 -3.653 1.00 0.00 C ATOM 0 H ALA A 69 178.001 -9.702 -1.297 1.00 0.00 H new ATOM 0 HA ALA A 69 180.160 -8.709 -2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 69 179.076 -9.902 -4.667 1.00 0.00 H new ATOM 0 HB2 ALA A 69 179.110 -10.888 -3.186 1.00 0.00 H new ATOM 0 HB3 ALA A 69 177.602 -10.086 -3.687 1.00 0.00 H new ATOM 1110 N ASP A 70 177.262 -7.228 -3.359 1.00 0.00 N ATOM 1111 CA ASP A 70 176.642 -6.046 -3.955 1.00 0.00 C ATOM 1112 C ASP A 70 177.137 -4.769 -3.281 1.00 0.00 C ATOM 1113 O ASP A 70 177.339 -3.750 -3.941 1.00 0.00 O ATOM 1114 CB ASP A 70 175.113 -6.128 -3.857 1.00 0.00 C ATOM 1115 CG ASP A 70 174.415 -5.581 -5.092 1.00 0.00 C ATOM 1116 OD1 ASP A 70 174.984 -4.691 -5.762 1.00 0.00 O ATOM 1117 OD2 ASP A 70 173.292 -6.042 -5.386 1.00 0.00 O ATOM 0 H ASP A 70 176.623 -7.809 -2.816 1.00 0.00 H new ATOM 0 HA ASP A 70 176.928 -6.017 -5.006 1.00 0.00 H new ATOM 0 HB2 ASP A 70 174.818 -7.167 -3.708 1.00 0.00 H new ATOM 0 HB3 ASP A 70 174.779 -5.573 -2.980 1.00 0.00 H new ATOM 1122 N VAL A 71 177.334 -4.833 -1.965 1.00 0.00 N ATOM 1123 CA VAL A 71 177.809 -3.681 -1.203 1.00 0.00 C ATOM 1124 C VAL A 71 179.171 -3.216 -1.711 1.00 0.00 C ATOM 1125 O VAL A 71 179.378 -2.024 -1.944 1.00 0.00 O ATOM 1126 CB VAL A 71 177.911 -3.993 0.306 1.00 0.00 C ATOM 1127 CG1 VAL A 71 178.305 -2.746 1.087 1.00 0.00 C ATOM 1128 CG2 VAL A 71 176.600 -4.566 0.828 1.00 0.00 C ATOM 0 H VAL A 71 177.172 -5.670 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 71 177.076 -2.887 -1.345 1.00 0.00 H new ATOM 0 HB VAL A 71 178.689 -4.743 0.448 1.00 0.00 H new ATOM 0 HG11 VAL A 71 178.371 -2.987 2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 71 179.272 -2.387 0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 71 177.554 -1.971 0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 71 176.694 -4.779 1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 71 175.799 -3.843 0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 71 176.367 -5.487 0.293 1.00 0.00 H new ATOM 1138 N ARG A 72 180.096 -4.161 -1.888 1.00 0.00 N ATOM 1139 CA ARG A 72 181.433 -3.839 -2.380 1.00 0.00 C ATOM 1140 C ARG A 72 181.364 -3.260 -3.794 1.00 0.00 C ATOM 1141 O ARG A 72 182.138 -2.367 -4.144 1.00 0.00 O ATOM 1142 CB ARG A 72 182.330 -5.082 -2.363 1.00 0.00 C ATOM 1143 CG ARG A 72 183.070 -5.285 -1.048 1.00 0.00 C ATOM 1144 CD ARG A 72 183.627 -6.698 -0.930 1.00 0.00 C ATOM 1145 NE ARG A 72 184.957 -6.716 -0.321 1.00 0.00 N ATOM 1146 CZ ARG A 72 186.085 -6.434 -0.980 1.00 0.00 C ATOM 1147 NH1 ARG A 72 186.050 -6.102 -2.268 1.00 0.00 N ATOM 1148 NH2 ARG A 72 187.252 -6.483 -0.347 1.00 0.00 N ATOM 0 H ARG A 72 179.943 -5.151 -1.698 1.00 0.00 H new ATOM 0 HA ARG A 72 181.864 -3.089 -1.717 1.00 0.00 H new ATOM 0 HB2 ARG A 72 181.720 -5.962 -2.566 1.00 0.00 H new ATOM 0 HB3 ARG A 72 183.058 -5.005 -3.171 1.00 0.00 H new ATOM 0 HG2 ARG A 72 183.885 -4.565 -0.973 1.00 0.00 H new ATOM 0 HG3 ARG A 72 182.394 -5.089 -0.216 1.00 0.00 H new ATOM 0 HD2 ARG A 72 182.947 -7.307 -0.333 1.00 0.00 H new ATOM 0 HD3 ARG A 72 183.676 -7.152 -1.920 1.00 0.00 H new ATOM 0 HE ARG A 72 185.028 -6.959 0.667 1.00 0.00 H new ATOM 0 HH11 ARG A 72 185.157 -6.061 -2.760 1.00 0.00 H new ATOM 0 HH12 ARG A 72 186.916 -5.888 -2.763 1.00 0.00 H new ATOM 0 HH21 ARG A 72 187.286 -6.736 0.641 1.00 0.00 H new ATOM 0 HH22 ARG A 72 188.114 -6.268 -0.849 1.00 0.00 H new ATOM 1162 N LEU A 73 180.427 -3.765 -4.601 1.00 0.00 N ATOM 1163 CA LEU A 73 180.256 -3.283 -5.972 1.00 0.00 C ATOM 1164 C LEU A 73 179.637 -1.884 -5.983 1.00 0.00 C ATOM 1165 O LEU A 73 180.063 -1.013 -6.743 1.00 0.00 O ATOM 1166 CB LEU A 73 179.383 -4.254 -6.781 1.00 0.00 C ATOM 1167 CG LEU A 73 179.164 -3.871 -8.251 1.00 0.00 C ATOM 1168 CD1 LEU A 73 179.049 -5.116 -9.121 1.00 0.00 C ATOM 1169 CD2 LEU A 73 177.922 -3.002 -8.399 1.00 0.00 C ATOM 0 H LEU A 73 179.779 -4.504 -4.329 1.00 0.00 H new ATOM 0 HA LEU A 73 181.241 -3.229 -6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 73 179.839 -5.243 -6.745 1.00 0.00 H new ATOM 0 HB3 LEU A 73 178.411 -4.334 -6.295 1.00 0.00 H new ATOM 0 HG LEU A 73 180.029 -3.298 -8.585 1.00 0.00 H new ATOM 0 HD11 LEU A 73 178.894 -4.822 -10.159 1.00 0.00 H new ATOM 0 HD12 LEU A 73 179.966 -5.701 -9.043 1.00 0.00 H new ATOM 0 HD13 LEU A 73 178.205 -5.718 -8.785 1.00 0.00 H new ATOM 0 HD21 LEU A 73 177.784 -2.741 -9.448 1.00 0.00 H new ATOM 0 HD22 LEU A 73 177.050 -3.550 -8.043 1.00 0.00 H new ATOM 0 HD23 LEU A 73 178.043 -2.092 -7.811 1.00 0.00 H new ATOM 1181 N MET A 74 178.627 -1.677 -5.137 1.00 0.00 N ATOM 1182 CA MET A 74 177.945 -0.387 -5.049 1.00 0.00 C ATOM 1183 C MET A 74 178.868 0.697 -4.494 1.00 0.00 C ATOM 1184 O MET A 74 178.909 1.807 -5.021 1.00 0.00 O ATOM 1185 CB MET A 74 176.693 -0.503 -4.173 1.00 0.00 C ATOM 1186 CG MET A 74 175.809 0.736 -4.203 1.00 0.00 C ATOM 1187 SD MET A 74 174.921 0.996 -2.655 1.00 0.00 S ATOM 1188 CE MET A 74 175.925 2.270 -1.894 1.00 0.00 C ATOM 0 H MET A 74 178.263 -2.388 -4.502 1.00 0.00 H new ATOM 0 HA MET A 74 177.652 -0.100 -6.059 1.00 0.00 H new ATOM 0 HB2 MET A 74 176.109 -1.363 -4.501 1.00 0.00 H new ATOM 0 HB3 MET A 74 176.997 -0.697 -3.144 1.00 0.00 H new ATOM 0 HG2 MET A 74 176.424 1.611 -4.416 1.00 0.00 H new ATOM 0 HG3 MET A 74 175.091 0.645 -5.018 1.00 0.00 H new ATOM 0 HE1 MET A 74 175.859 2.186 -0.809 1.00 0.00 H new ATOM 0 HE2 MET A 74 176.963 2.149 -2.205 1.00 0.00 H new ATOM 0 HE3 MET A 74 175.565 3.251 -2.205 1.00 0.00 H new ATOM 1198 N PHE A 75 179.600 0.373 -3.427 1.00 0.00 N ATOM 1199 CA PHE A 75 180.515 1.330 -2.802 1.00 0.00 C ATOM 1200 C PHE A 75 181.644 1.732 -3.752 1.00 0.00 C ATOM 1201 O PHE A 75 182.015 2.905 -3.814 1.00 0.00 O ATOM 1202 CB PHE A 75 181.110 0.747 -1.514 1.00 0.00 C ATOM 1203 CG PHE A 75 180.393 1.172 -0.261 1.00 0.00 C ATOM 1204 CD1 PHE A 75 180.165 2.514 0.008 1.00 0.00 C ATOM 1205 CD2 PHE A 75 179.948 0.227 0.648 1.00 0.00 C ATOM 1206 CE1 PHE A 75 179.510 2.902 1.162 1.00 0.00 C ATOM 1207 CE2 PHE A 75 179.292 0.609 1.803 1.00 0.00 C ATOM 1208 CZ PHE A 75 179.071 1.948 2.059 1.00 0.00 C ATOM 0 H PHE A 75 179.577 -0.543 -2.978 1.00 0.00 H new ATOM 0 HA PHE A 75 179.936 2.221 -2.561 1.00 0.00 H new ATOM 0 HB2 PHE A 75 181.093 -0.341 -1.578 1.00 0.00 H new ATOM 0 HB3 PHE A 75 182.156 1.046 -1.441 1.00 0.00 H new ATOM 0 HD1 PHE A 75 180.503 3.264 -0.692 1.00 0.00 H new ATOM 0 HD2 PHE A 75 180.116 -0.822 0.452 1.00 0.00 H new ATOM 0 HE1 PHE A 75 179.342 3.950 1.362 1.00 0.00 H new ATOM 0 HE2 PHE A 75 178.953 -0.139 2.505 1.00 0.00 H new ATOM 0 HZ PHE A 75 178.556 2.249 2.959 1.00 0.00 H new ATOM 1218 N SER A 76 182.191 0.760 -4.488 1.00 0.00 N ATOM 1219 CA SER A 76 183.281 1.037 -5.425 1.00 0.00 C ATOM 1220 C SER A 76 182.827 2.007 -6.513 1.00 0.00 C ATOM 1221 O SER A 76 183.543 2.953 -6.847 1.00 0.00 O ATOM 1222 CB SER A 76 183.810 -0.256 -6.056 1.00 0.00 C ATOM 1223 OG SER A 76 182.751 -1.093 -6.483 1.00 0.00 O ATOM 0 H SER A 76 181.899 -0.217 -4.453 1.00 0.00 H new ATOM 0 HA SER A 76 184.092 1.499 -4.862 1.00 0.00 H new ATOM 0 HB2 SER A 76 184.449 -0.013 -6.905 1.00 0.00 H new ATOM 0 HB3 SER A 76 184.428 -0.789 -5.334 1.00 0.00 H new ATOM 0 HG SER A 76 182.512 -1.712 -5.762 1.00 0.00 H new ATOM 1229 N ASN A 77 181.629 1.777 -7.050 1.00 0.00 N ATOM 1230 CA ASN A 77 181.078 2.646 -8.087 1.00 0.00 C ATOM 1231 C ASN A 77 180.624 3.973 -7.483 1.00 0.00 C ATOM 1232 O ASN A 77 180.817 5.034 -8.078 1.00 0.00 O ATOM 1233 CB ASN A 77 179.904 1.965 -8.798 1.00 0.00 C ATOM 1234 CG ASN A 77 180.363 0.949 -9.826 1.00 0.00 C ATOM 1235 OD1 ASN A 77 180.384 -0.253 -9.562 1.00 0.00 O ATOM 1236 ND2 ASN A 77 180.735 1.428 -11.008 1.00 0.00 N ATOM 0 H ASN A 77 181.024 0.999 -6.785 1.00 0.00 H new ATOM 0 HA ASN A 77 181.862 2.840 -8.819 1.00 0.00 H new ATOM 0 HB2 ASN A 77 179.272 1.471 -8.060 1.00 0.00 H new ATOM 0 HB3 ASN A 77 179.291 2.722 -9.287 1.00 0.00 H new ATOM 0 HD21 ASN A 77 181.054 0.792 -11.739 1.00 0.00 H new ATOM 0 HD22 ASN A 77 180.702 2.432 -11.185 1.00 0.00 H new ATOM 1243 N CYS A 78 180.025 3.903 -6.293 1.00 0.00 N ATOM 1244 CA CYS A 78 179.546 5.095 -5.595 1.00 0.00 C ATOM 1245 C CYS A 78 180.698 6.053 -5.292 1.00 0.00 C ATOM 1246 O CYS A 78 180.540 7.271 -5.378 1.00 0.00 O ATOM 1247 CB CYS A 78 178.836 4.703 -4.296 1.00 0.00 C ATOM 1248 SG CYS A 78 177.046 4.506 -4.463 1.00 0.00 S ATOM 0 H CYS A 78 179.860 3.030 -5.792 1.00 0.00 H new ATOM 0 HA CYS A 78 178.838 5.605 -6.248 1.00 0.00 H new ATOM 0 HB2 CYS A 78 179.261 3.768 -3.930 1.00 0.00 H new ATOM 0 HB3 CYS A 78 179.038 5.462 -3.541 1.00 0.00 H new ATOM 0 HG CYS A 78 176.497 5.669 -4.652 1.00 0.00 H new ATOM 1254 N TYR A 79 181.857 5.494 -4.942 1.00 0.00 N ATOM 1255 CA TYR A 79 183.038 6.299 -4.633 1.00 0.00 C ATOM 1256 C TYR A 79 183.444 7.159 -5.832 1.00 0.00 C ATOM 1257 O TYR A 79 183.902 8.290 -5.666 1.00 0.00 O ATOM 1258 CB TYR A 79 184.204 5.400 -4.215 1.00 0.00 C ATOM 1259 CG TYR A 79 185.340 6.145 -3.547 1.00 0.00 C ATOM 1260 CD1 TYR A 79 185.314 6.411 -2.183 1.00 0.00 C ATOM 1261 CD2 TYR A 79 186.438 6.581 -4.280 1.00 0.00 C ATOM 1262 CE1 TYR A 79 186.350 7.090 -1.570 1.00 0.00 C ATOM 1263 CE2 TYR A 79 187.477 7.258 -3.672 1.00 0.00 C ATOM 1264 CZ TYR A 79 187.428 7.511 -2.318 1.00 0.00 C ATOM 1265 OH TYR A 79 188.461 8.185 -1.708 1.00 0.00 O ATOM 0 H TYR A 79 182.003 4.487 -4.866 1.00 0.00 H new ATOM 0 HA TYR A 79 182.786 6.960 -3.804 1.00 0.00 H new ATOM 0 HB2 TYR A 79 183.834 4.634 -3.534 1.00 0.00 H new ATOM 0 HB3 TYR A 79 184.588 4.885 -5.096 1.00 0.00 H new ATOM 0 HD1 TYR A 79 184.471 6.082 -1.593 1.00 0.00 H new ATOM 0 HD2 TYR A 79 186.479 6.387 -5.342 1.00 0.00 H new ATOM 0 HE1 TYR A 79 186.315 7.290 -0.509 1.00 0.00 H new ATOM 0 HE2 TYR A 79 188.324 7.588 -4.255 1.00 0.00 H new ATOM 0 HH TYR A 79 189.143 8.411 -2.374 1.00 0.00 H new ATOM 1275 N LYS A 80 183.265 6.618 -7.039 1.00 0.00 N ATOM 1276 CA LYS A 80 183.605 7.340 -8.264 1.00 0.00 C ATOM 1277 C LYS A 80 182.744 8.595 -8.407 1.00 0.00 C ATOM 1278 O LYS A 80 183.245 9.660 -8.768 1.00 0.00 O ATOM 1279 CB LYS A 80 183.428 6.433 -9.487 1.00 0.00 C ATOM 1280 CG LYS A 80 183.795 7.098 -10.807 1.00 0.00 C ATOM 1281 CD LYS A 80 184.372 6.096 -11.799 1.00 0.00 C ATOM 1282 CE LYS A 80 183.921 6.389 -13.223 1.00 0.00 C ATOM 1283 NZ LYS A 80 185.022 6.201 -14.210 1.00 0.00 N ATOM 0 H LYS A 80 182.887 5.683 -7.193 1.00 0.00 H new ATOM 0 HA LYS A 80 184.650 7.643 -8.203 1.00 0.00 H new ATOM 0 HB2 LYS A 80 184.042 5.541 -9.358 1.00 0.00 H new ATOM 0 HB3 LYS A 80 182.391 6.102 -9.534 1.00 0.00 H new ATOM 0 HG2 LYS A 80 182.910 7.568 -11.237 1.00 0.00 H new ATOM 0 HG3 LYS A 80 184.521 7.891 -10.626 1.00 0.00 H new ATOM 0 HD2 LYS A 80 185.461 6.121 -11.750 1.00 0.00 H new ATOM 0 HD3 LYS A 80 184.063 5.089 -11.520 1.00 0.00 H new ATOM 0 HE2 LYS A 80 183.088 5.735 -13.481 1.00 0.00 H new ATOM 0 HE3 LYS A 80 183.552 7.413 -13.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 184.671 6.411 -15.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 185.807 6.843 -13.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 185.357 5.217 -14.173 1.00 0.00 H new ATOM 1297 N TYR A 81 181.450 8.462 -8.115 1.00 0.00 N ATOM 1298 CA TYR A 81 180.525 9.589 -8.207 1.00 0.00 C ATOM 1299 C TYR A 81 180.794 10.617 -7.105 1.00 0.00 C ATOM 1300 O TYR A 81 180.645 11.820 -7.325 1.00 0.00 O ATOM 1301 CB TYR A 81 179.074 9.106 -8.127 1.00 0.00 C ATOM 1302 CG TYR A 81 178.117 9.938 -8.954 1.00 0.00 C ATOM 1303 CD1 TYR A 81 177.503 11.064 -8.419 1.00 0.00 C ATOM 1304 CD2 TYR A 81 177.832 9.599 -10.270 1.00 0.00 C ATOM 1305 CE1 TYR A 81 176.632 11.828 -9.172 1.00 0.00 C ATOM 1306 CE2 TYR A 81 176.963 10.358 -11.030 1.00 0.00 C ATOM 1307 CZ TYR A 81 176.366 11.471 -10.477 1.00 0.00 C ATOM 1308 OH TYR A 81 175.498 12.229 -11.231 1.00 0.00 O ATOM 0 H TYR A 81 181.021 7.587 -7.814 1.00 0.00 H new ATOM 0 HA TYR A 81 180.685 10.069 -9.172 1.00 0.00 H new ATOM 0 HB2 TYR A 81 179.025 8.070 -8.461 1.00 0.00 H new ATOM 0 HB3 TYR A 81 178.751 9.121 -7.086 1.00 0.00 H new ATOM 0 HD1 TYR A 81 177.710 11.347 -7.397 1.00 0.00 H new ATOM 0 HD2 TYR A 81 178.297 8.728 -10.707 1.00 0.00 H new ATOM 0 HE1 TYR A 81 176.162 12.700 -8.741 1.00 0.00 H new ATOM 0 HE2 TYR A 81 176.752 10.081 -12.052 1.00 0.00 H new ATOM 0 HH TYR A 81 175.421 11.842 -12.128 1.00 0.00 H new ATOM 1318 N ASN A 82 181.191 10.138 -5.922 1.00 0.00 N ATOM 1319 CA ASN A 82 181.482 11.019 -4.788 1.00 0.00 C ATOM 1320 C ASN A 82 182.601 12.007 -5.134 1.00 0.00 C ATOM 1321 O ASN A 82 183.757 11.610 -5.297 1.00 0.00 O ATOM 1322 CB ASN A 82 181.879 10.194 -3.557 1.00 0.00 C ATOM 1323 CG ASN A 82 180.684 9.789 -2.708 1.00 0.00 C ATOM 1324 OD1 ASN A 82 179.605 10.372 -2.813 1.00 0.00 O ATOM 1325 ND2 ASN A 82 180.870 8.785 -1.857 1.00 0.00 N ATOM 0 H ASN A 82 181.318 9.145 -5.725 1.00 0.00 H new ATOM 0 HA ASN A 82 180.578 11.584 -4.562 1.00 0.00 H new ATOM 0 HB2 ASN A 82 182.409 9.298 -3.881 1.00 0.00 H new ATOM 0 HB3 ASN A 82 182.573 10.772 -2.947 1.00 0.00 H new ATOM 0 HD21 ASN A 82 180.103 8.472 -1.262 1.00 0.00 H new ATOM 0 HD22 ASN A 82 181.780 8.327 -1.799 1.00 0.00 H new ATOM 1332 N PRO A 83 182.269 13.311 -5.256 1.00 0.00 N ATOM 1333 CA PRO A 83 183.249 14.359 -5.593 1.00 0.00 C ATOM 1334 C PRO A 83 184.372 14.471 -4.560 1.00 0.00 C ATOM 1335 O PRO A 83 184.228 14.020 -3.424 1.00 0.00 O ATOM 1336 CB PRO A 83 182.413 15.646 -5.608 1.00 0.00 C ATOM 1337 CG PRO A 83 181.005 15.192 -5.785 1.00 0.00 C ATOM 1338 CD PRO A 83 180.915 13.868 -5.084 1.00 0.00 C ATOM 0 HA PRO A 83 183.751 14.147 -6.537 1.00 0.00 H new ATOM 0 HB2 PRO A 83 182.533 16.205 -4.680 1.00 0.00 H new ATOM 0 HB3 PRO A 83 182.719 16.306 -6.420 1.00 0.00 H new ATOM 0 HG2 PRO A 83 180.305 15.910 -5.357 1.00 0.00 H new ATOM 0 HG3 PRO A 83 180.755 15.094 -6.841 1.00 0.00 H new ATOM 0 HD2 PRO A 83 180.657 13.985 -4.031 1.00 0.00 H new ATOM 0 HD3 PRO A 83 180.155 13.226 -5.529 1.00 0.00 H new ATOM 1346 N PRO A 84 185.513 15.082 -4.941 1.00 0.00 N ATOM 1347 CA PRO A 84 186.658 15.253 -4.036 1.00 0.00 C ATOM 1348 C PRO A 84 186.359 16.235 -2.904 1.00 0.00 C ATOM 1349 O PRO A 84 186.032 17.398 -3.151 1.00 0.00 O ATOM 1350 CB PRO A 84 187.758 15.800 -4.948 1.00 0.00 C ATOM 1351 CG PRO A 84 187.032 16.457 -6.071 1.00 0.00 C ATOM 1352 CD PRO A 84 185.774 15.657 -6.275 1.00 0.00 C ATOM 0 HA PRO A 84 186.928 14.321 -3.539 1.00 0.00 H new ATOM 0 HB2 PRO A 84 188.393 16.510 -4.419 1.00 0.00 H new ATOM 0 HB3 PRO A 84 188.405 15.001 -5.310 1.00 0.00 H new ATOM 0 HG2 PRO A 84 186.800 17.495 -5.832 1.00 0.00 H new ATOM 0 HG3 PRO A 84 187.640 16.467 -6.976 1.00 0.00 H new ATOM 0 HD2 PRO A 84 184.949 16.285 -6.610 1.00 0.00 H new ATOM 0 HD3 PRO A 84 185.910 14.880 -7.028 1.00 0.00 H new ATOM 1360 N ASP A 85 186.464 15.751 -1.662 1.00 0.00 N ATOM 1361 CA ASP A 85 186.201 16.570 -0.478 1.00 0.00 C ATOM 1362 C ASP A 85 184.745 17.043 -0.461 1.00 0.00 C ATOM 1363 O ASP A 85 184.456 18.220 -0.686 1.00 0.00 O ATOM 1364 CB ASP A 85 187.158 17.769 -0.422 1.00 0.00 C ATOM 1365 CG ASP A 85 187.345 18.292 0.990 1.00 0.00 C ATOM 1366 OD1 ASP A 85 186.421 18.957 1.506 1.00 0.00 O ATOM 1367 OD2 ASP A 85 188.414 18.034 1.582 1.00 0.00 O ATOM 0 H ASP A 85 186.731 14.789 -1.452 1.00 0.00 H new ATOM 0 HA ASP A 85 186.373 15.955 0.405 1.00 0.00 H new ATOM 0 HB2 ASP A 85 188.126 17.478 -0.830 1.00 0.00 H new ATOM 0 HB3 ASP A 85 186.773 18.568 -1.055 1.00 0.00 H new ATOM 1372 N HIS A 86 183.830 16.107 -0.204 1.00 0.00 N ATOM 1373 CA HIS A 86 182.402 16.415 -0.169 1.00 0.00 C ATOM 1374 C HIS A 86 181.712 15.723 1.006 1.00 0.00 C ATOM 1375 O HIS A 86 182.157 14.669 1.464 1.00 0.00 O ATOM 1376 CB HIS A 86 181.748 15.983 -1.483 1.00 0.00 C ATOM 1377 CG HIS A 86 180.489 16.727 -1.811 1.00 0.00 C ATOM 1378 ND1 HIS A 86 180.188 17.976 -1.305 1.00 0.00 N ATOM 1379 CD2 HIS A 86 179.445 16.384 -2.601 1.00 0.00 C ATOM 1380 CE1 HIS A 86 179.014 18.366 -1.770 1.00 0.00 C ATOM 1381 NE2 HIS A 86 178.544 17.418 -2.558 1.00 0.00 N ATOM 0 H HIS A 86 184.054 15.130 -0.017 1.00 0.00 H new ATOM 0 HA HIS A 86 182.290 17.491 -0.039 1.00 0.00 H new ATOM 0 HB2 HIS A 86 182.462 16.122 -2.295 1.00 0.00 H new ATOM 0 HB3 HIS A 86 181.525 14.917 -1.433 1.00 0.00 H new ATOM 0 HD2 HIS A 86 179.340 15.467 -3.161 1.00 0.00 H new ATOM 0 HE1 HIS A 86 178.523 19.301 -1.544 1.00 0.00 H new ATOM 0 HE2 HIS A 86 177.654 17.449 -3.055 1.00 0.00 H new ATOM 1390 N GLU A 87 180.618 16.323 1.485 1.00 0.00 N ATOM 1391 CA GLU A 87 179.859 15.767 2.607 1.00 0.00 C ATOM 1392 C GLU A 87 179.408 14.337 2.317 1.00 0.00 C ATOM 1393 O GLU A 87 179.516 13.461 3.177 1.00 0.00 O ATOM 1394 CB GLU A 87 178.638 16.639 2.912 1.00 0.00 C ATOM 1395 CG GLU A 87 178.884 17.675 3.997 1.00 0.00 C ATOM 1396 CD GLU A 87 177.601 18.159 4.643 1.00 0.00 C ATOM 1397 OE1 GLU A 87 176.849 18.909 3.983 1.00 0.00 O ATOM 1398 OE2 GLU A 87 177.347 17.790 5.809 1.00 0.00 O ATOM 0 H GLU A 87 180.239 17.194 1.113 1.00 0.00 H new ATOM 0 HA GLU A 87 180.518 15.752 3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 87 178.329 17.148 1.999 1.00 0.00 H new ATOM 0 HB3 GLU A 87 177.811 15.997 3.215 1.00 0.00 H new ATOM 0 HG2 GLU A 87 179.533 17.248 4.762 1.00 0.00 H new ATOM 0 HG3 GLU A 87 179.414 18.526 3.568 1.00 0.00 H new ATOM 1405 N VAL A 88 178.902 14.105 1.104 1.00 0.00 N ATOM 1406 CA VAL A 88 178.438 12.774 0.708 1.00 0.00 C ATOM 1407 C VAL A 88 179.569 11.747 0.772 1.00 0.00 C ATOM 1408 O VAL A 88 179.337 10.574 1.070 1.00 0.00 O ATOM 1409 CB VAL A 88 177.833 12.774 -0.713 1.00 0.00 C ATOM 1410 CG1 VAL A 88 176.532 13.565 -0.740 1.00 0.00 C ATOM 1411 CG2 VAL A 88 178.825 13.325 -1.734 1.00 0.00 C ATOM 0 H VAL A 88 178.803 14.818 0.382 1.00 0.00 H new ATOM 0 HA VAL A 88 177.660 12.496 1.419 1.00 0.00 H new ATOM 0 HB VAL A 88 177.613 11.742 -0.987 1.00 0.00 H new ATOM 0 HG11 VAL A 88 176.120 13.554 -1.749 1.00 0.00 H new ATOM 0 HG12 VAL A 88 175.817 13.114 -0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 88 176.726 14.594 -0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 88 178.372 13.313 -2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 88 179.090 14.349 -1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 88 179.723 12.708 -1.738 1.00 0.00 H new ATOM 1421 N VAL A 89 180.792 12.199 0.499 1.00 0.00 N ATOM 1422 CA VAL A 89 181.962 11.328 0.532 1.00 0.00 C ATOM 1423 C VAL A 89 182.236 10.842 1.954 1.00 0.00 C ATOM 1424 O VAL A 89 182.524 9.664 2.172 1.00 0.00 O ATOM 1425 CB VAL A 89 183.213 12.050 -0.011 1.00 0.00 C ATOM 1426 CG1 VAL A 89 184.380 11.087 -0.139 1.00 0.00 C ATOM 1427 CG2 VAL A 89 182.913 12.713 -1.348 1.00 0.00 C ATOM 0 H VAL A 89 180.997 13.167 0.252 1.00 0.00 H new ATOM 0 HA VAL A 89 181.746 10.471 -0.106 1.00 0.00 H new ATOM 0 HB VAL A 89 183.492 12.827 0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 89 185.250 11.619 -0.524 1.00 0.00 H new ATOM 0 HG12 VAL A 89 184.614 10.667 0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 89 184.114 10.282 -0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 89 183.808 13.216 -1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 89 182.603 11.956 -2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 89 182.113 13.442 -1.221 1.00 0.00 H new ATOM 1437 N ALA A 90 182.134 11.757 2.921 1.00 0.00 N ATOM 1438 CA ALA A 90 182.361 11.422 4.325 1.00 0.00 C ATOM 1439 C ALA A 90 181.348 10.387 4.811 1.00 0.00 C ATOM 1440 O ALA A 90 181.688 9.493 5.587 1.00 0.00 O ATOM 1441 CB ALA A 90 182.294 12.673 5.190 1.00 0.00 C ATOM 0 H ALA A 90 181.896 12.735 2.755 1.00 0.00 H new ATOM 0 HA ALA A 90 183.358 10.990 4.411 1.00 0.00 H new ATOM 0 HB1 ALA A 90 182.465 12.404 6.232 1.00 0.00 H new ATOM 0 HB2 ALA A 90 183.058 13.380 4.867 1.00 0.00 H new ATOM 0 HB3 ALA A 90 181.310 13.132 5.091 1.00 0.00 H new ATOM 1447 N MET A 91 180.104 10.512 4.344 1.00 0.00 N ATOM 1448 CA MET A 91 179.044 9.582 4.726 1.00 0.00 C ATOM 1449 C MET A 91 179.389 8.161 4.288 1.00 0.00 C ATOM 1450 O MET A 91 179.257 7.216 5.067 1.00 0.00 O ATOM 1451 CB MET A 91 177.706 10.005 4.112 1.00 0.00 C ATOM 1452 CG MET A 91 176.839 10.832 5.047 1.00 0.00 C ATOM 1453 SD MET A 91 176.017 12.200 4.209 1.00 0.00 S ATOM 1454 CE MET A 91 174.484 11.420 3.709 1.00 0.00 C ATOM 0 H MET A 91 179.808 11.247 3.702 1.00 0.00 H new ATOM 0 HA MET A 91 178.955 9.603 5.812 1.00 0.00 H new ATOM 0 HB2 MET A 91 177.898 10.579 3.206 1.00 0.00 H new ATOM 0 HB3 MET A 91 177.155 9.113 3.814 1.00 0.00 H new ATOM 0 HG2 MET A 91 176.088 10.188 5.504 1.00 0.00 H new ATOM 0 HG3 MET A 91 177.456 11.225 5.855 1.00 0.00 H new ATOM 0 HE1 MET A 91 174.123 11.882 2.790 1.00 0.00 H new ATOM 0 HE2 MET A 91 174.656 10.357 3.537 1.00 0.00 H new ATOM 0 HE3 MET A 91 173.739 11.545 4.495 1.00 0.00 H new ATOM 1464 N ALA A 92 179.839 8.020 3.040 1.00 0.00 N ATOM 1465 CA ALA A 92 180.213 6.717 2.500 1.00 0.00 C ATOM 1466 C ALA A 92 181.379 6.116 3.283 1.00 0.00 C ATOM 1467 O ALA A 92 181.403 4.915 3.551 1.00 0.00 O ATOM 1468 CB ALA A 92 180.569 6.836 1.025 1.00 0.00 C ATOM 0 H ALA A 92 179.952 8.794 2.386 1.00 0.00 H new ATOM 0 HA ALA A 92 179.357 6.050 2.600 1.00 0.00 H new ATOM 0 HB1 ALA A 92 180.846 5.856 0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 92 179.709 7.215 0.473 1.00 0.00 H new ATOM 0 HB3 ALA A 92 181.407 7.523 0.907 1.00 0.00 H new ATOM 1474 N ARG A 93 182.341 6.964 3.655 1.00 0.00 N ATOM 1475 CA ARG A 93 183.505 6.520 4.417 1.00 0.00 C ATOM 1476 C ARG A 93 183.087 6.040 5.807 1.00 0.00 C ATOM 1477 O ARG A 93 183.481 4.957 6.239 1.00 0.00 O ATOM 1478 CB ARG A 93 184.536 7.650 4.534 1.00 0.00 C ATOM 1479 CG ARG A 93 185.853 7.356 3.828 1.00 0.00 C ATOM 1480 CD ARG A 93 185.674 7.229 2.322 1.00 0.00 C ATOM 1481 NE ARG A 93 186.432 6.105 1.771 1.00 0.00 N ATOM 1482 CZ ARG A 93 187.748 6.133 1.536 1.00 0.00 C ATOM 1483 NH1 ARG A 93 188.461 7.225 1.804 1.00 0.00 N ATOM 1484 NH2 ARG A 93 188.354 5.063 1.032 1.00 0.00 N ATOM 0 H ARG A 93 182.335 7.961 3.440 1.00 0.00 H new ATOM 0 HA ARG A 93 183.962 5.686 3.885 1.00 0.00 H new ATOM 0 HB2 ARG A 93 184.109 8.563 4.120 1.00 0.00 H new ATOM 0 HB3 ARG A 93 184.734 7.840 5.589 1.00 0.00 H new ATOM 0 HG2 ARG A 93 186.566 8.152 4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 93 186.278 6.433 4.222 1.00 0.00 H new ATOM 0 HD2 ARG A 93 184.616 7.100 2.093 1.00 0.00 H new ATOM 0 HD3 ARG A 93 185.994 8.153 1.840 1.00 0.00 H new ATOM 0 HE ARG A 93 185.925 5.247 1.553 1.00 0.00 H new ATOM 0 HH11 ARG A 93 188.004 8.050 2.192 1.00 0.00 H new ATOM 0 HH12 ARG A 93 189.464 7.236 1.621 1.00 0.00 H new ATOM 0 HH21 ARG A 93 187.815 4.222 0.825 1.00 0.00 H new ATOM 0 HH22 ARG A 93 189.358 5.083 0.852 1.00 0.00 H new ATOM 1498 N LYS A 94 182.281 6.849 6.499 1.00 0.00 N ATOM 1499 CA LYS A 94 181.804 6.499 7.838 1.00 0.00 C ATOM 1500 C LYS A 94 180.951 5.230 7.804 1.00 0.00 C ATOM 1501 O LYS A 94 181.071 4.373 8.680 1.00 0.00 O ATOM 1502 CB LYS A 94 180.995 7.655 8.437 1.00 0.00 C ATOM 1503 CG LYS A 94 180.586 7.433 9.888 1.00 0.00 C ATOM 1504 CD LYS A 94 179.677 8.546 10.391 1.00 0.00 C ATOM 1505 CE LYS A 94 179.456 8.455 11.896 1.00 0.00 C ATOM 1506 NZ LYS A 94 180.548 9.117 12.664 1.00 0.00 N ATOM 0 H LYS A 94 181.946 7.749 6.155 1.00 0.00 H new ATOM 0 HA LYS A 94 182.676 6.311 8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 94 181.583 8.570 8.371 1.00 0.00 H new ATOM 0 HB3 LYS A 94 180.099 7.808 7.836 1.00 0.00 H new ATOM 0 HG2 LYS A 94 180.074 6.475 9.980 1.00 0.00 H new ATOM 0 HG3 LYS A 94 181.477 7.380 10.514 1.00 0.00 H new ATOM 0 HD2 LYS A 94 180.115 9.513 10.145 1.00 0.00 H new ATOM 0 HD3 LYS A 94 178.717 8.492 9.878 1.00 0.00 H new ATOM 0 HE2 LYS A 94 178.502 8.918 12.151 1.00 0.00 H new ATOM 0 HE3 LYS A 94 179.390 7.407 12.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 180.357 9.031 13.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 181.455 8.660 12.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 180.595 10.123 12.404 1.00 0.00 H new ATOM 1520 N LEU A 95 180.090 5.117 6.790 1.00 0.00 N ATOM 1521 CA LEU A 95 179.217 3.950 6.646 1.00 0.00 C ATOM 1522 C LEU A 95 180.027 2.695 6.320 1.00 0.00 C ATOM 1523 O LEU A 95 179.748 1.616 6.843 1.00 0.00 O ATOM 1524 CB LEU A 95 178.168 4.191 5.554 1.00 0.00 C ATOM 1525 CG LEU A 95 176.727 3.861 5.955 1.00 0.00 C ATOM 1526 CD1 LEU A 95 175.744 4.759 5.219 1.00 0.00 C ATOM 1527 CD2 LEU A 95 176.417 2.394 5.686 1.00 0.00 C ATOM 0 H LEU A 95 179.979 5.818 6.058 1.00 0.00 H new ATOM 0 HA LEU A 95 178.709 3.797 7.598 1.00 0.00 H new ATOM 0 HB2 LEU A 95 178.214 5.237 5.252 1.00 0.00 H new ATOM 0 HB3 LEU A 95 178.432 3.595 4.680 1.00 0.00 H new ATOM 0 HG LEU A 95 176.621 4.043 7.024 1.00 0.00 H new ATOM 0 HD11 LEU A 95 174.727 4.507 5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 95 175.948 5.801 5.466 1.00 0.00 H new ATOM 0 HD13 LEU A 95 175.852 4.613 4.144 1.00 0.00 H new ATOM 0 HD21 LEU A 95 175.389 2.180 5.978 1.00 0.00 H new ATOM 0 HD22 LEU A 95 176.544 2.184 4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 95 177.096 1.767 6.264 1.00 0.00 H new ATOM 1539 N GLN A 96 181.028 2.844 5.454 1.00 0.00 N ATOM 1540 CA GLN A 96 181.881 1.725 5.059 1.00 0.00 C ATOM 1541 C GLN A 96 182.781 1.288 6.215 1.00 0.00 C ATOM 1542 O GLN A 96 182.944 0.094 6.464 1.00 0.00 O ATOM 1543 CB GLN A 96 182.735 2.111 3.847 1.00 0.00 C ATOM 1544 CG GLN A 96 183.453 0.934 3.202 1.00 0.00 C ATOM 1545 CD GLN A 96 184.900 0.810 3.647 1.00 0.00 C ATOM 1546 OE1 GLN A 96 185.577 1.811 3.882 1.00 0.00 O ATOM 1547 NE2 GLN A 96 185.383 -0.423 3.763 1.00 0.00 N ATOM 0 H GLN A 96 181.268 3.731 5.012 1.00 0.00 H new ATOM 0 HA GLN A 96 181.237 0.888 4.790 1.00 0.00 H new ATOM 0 HB2 GLN A 96 182.098 2.588 3.102 1.00 0.00 H new ATOM 0 HB3 GLN A 96 183.474 2.851 4.156 1.00 0.00 H new ATOM 0 HG2 GLN A 96 182.923 0.013 3.446 1.00 0.00 H new ATOM 0 HG3 GLN A 96 183.419 1.044 2.118 1.00 0.00 H new ATOM 0 HE21 GLN A 96 184.787 -1.225 3.558 1.00 0.00 H new ATOM 0 HE22 GLN A 96 186.349 -0.567 4.057 1.00 0.00 H new ATOM 1556 N ASP A 97 183.366 2.264 6.913 1.00 0.00 N ATOM 1557 CA ASP A 97 184.256 1.984 8.042 1.00 0.00 C ATOM 1558 C ASP A 97 183.526 1.224 9.150 1.00 0.00 C ATOM 1559 O ASP A 97 184.038 0.230 9.667 1.00 0.00 O ATOM 1560 CB ASP A 97 184.844 3.288 8.597 1.00 0.00 C ATOM 1561 CG ASP A 97 186.173 3.083 9.304 1.00 0.00 C ATOM 1562 OD1 ASP A 97 187.002 2.295 8.801 1.00 0.00 O ATOM 1563 OD2 ASP A 97 186.387 3.718 10.359 1.00 0.00 O ATOM 0 H ASP A 97 183.239 3.257 6.716 1.00 0.00 H new ATOM 0 HA ASP A 97 185.068 1.355 7.677 1.00 0.00 H new ATOM 0 HB2 ASP A 97 184.978 3.997 7.780 1.00 0.00 H new ATOM 0 HB3 ASP A 97 184.133 3.734 9.292 1.00 0.00 H new ATOM 1568 N VAL A 98 182.327 1.690 9.505 1.00 0.00 N ATOM 1569 CA VAL A 98 181.531 1.041 10.545 1.00 0.00 C ATOM 1570 C VAL A 98 181.072 -0.346 10.092 1.00 0.00 C ATOM 1571 O VAL A 98 181.121 -1.305 10.865 1.00 0.00 O ATOM 1572 CB VAL A 98 180.312 1.896 10.972 1.00 0.00 C ATOM 1573 CG1 VAL A 98 179.335 2.097 9.820 1.00 0.00 C ATOM 1574 CG2 VAL A 98 179.613 1.266 12.170 1.00 0.00 C ATOM 0 H VAL A 98 181.888 2.511 9.089 1.00 0.00 H new ATOM 0 HA VAL A 98 182.177 0.935 11.417 1.00 0.00 H new ATOM 0 HB VAL A 98 180.681 2.880 11.261 1.00 0.00 H new ATOM 0 HG11 VAL A 98 178.493 2.701 10.158 1.00 0.00 H new ATOM 0 HG12 VAL A 98 179.840 2.606 8.999 1.00 0.00 H new ATOM 0 HG13 VAL A 98 178.972 1.128 9.478 1.00 0.00 H new ATOM 0 HG21 VAL A 98 178.759 1.879 12.457 1.00 0.00 H new ATOM 0 HG22 VAL A 98 179.269 0.266 11.906 1.00 0.00 H new ATOM 0 HG23 VAL A 98 180.310 1.201 13.005 1.00 0.00 H new ATOM 1584 N PHE A 99 180.633 -0.449 8.835 1.00 0.00 N ATOM 1585 CA PHE A 99 180.179 -1.724 8.285 1.00 0.00 C ATOM 1586 C PHE A 99 181.324 -2.733 8.236 1.00 0.00 C ATOM 1587 O PHE A 99 181.177 -3.864 8.697 1.00 0.00 O ATOM 1588 CB PHE A 99 179.592 -1.534 6.881 1.00 0.00 C ATOM 1589 CG PHE A 99 178.088 -1.528 6.852 1.00 0.00 C ATOM 1590 CD1 PHE A 99 177.376 -0.505 7.459 1.00 0.00 C ATOM 1591 CD2 PHE A 99 177.387 -2.546 6.224 1.00 0.00 C ATOM 1592 CE1 PHE A 99 175.994 -0.497 7.438 1.00 0.00 C ATOM 1593 CE2 PHE A 99 176.005 -2.543 6.201 1.00 0.00 C ATOM 1594 CZ PHE A 99 175.308 -1.518 6.810 1.00 0.00 C ATOM 0 H PHE A 99 180.583 0.334 8.183 1.00 0.00 H new ATOM 0 HA PHE A 99 179.399 -2.110 8.942 1.00 0.00 H new ATOM 0 HB2 PHE A 99 179.959 -0.595 6.467 1.00 0.00 H new ATOM 0 HB3 PHE A 99 179.956 -2.331 6.233 1.00 0.00 H new ATOM 0 HD1 PHE A 99 177.907 0.295 7.954 1.00 0.00 H new ATOM 0 HD2 PHE A 99 177.927 -3.351 5.747 1.00 0.00 H new ATOM 0 HE1 PHE A 99 175.451 0.307 7.912 1.00 0.00 H new ATOM 0 HE2 PHE A 99 175.471 -3.341 5.707 1.00 0.00 H new ATOM 0 HZ PHE A 99 174.228 -1.515 6.795 1.00 0.00 H new ATOM 1604 N GLU A 100 182.466 -2.320 7.680 1.00 0.00 N ATOM 1605 CA GLU A 100 183.630 -3.200 7.580 1.00 0.00 C ATOM 1606 C GLU A 100 184.076 -3.676 8.962 1.00 0.00 C ATOM 1607 O GLU A 100 184.331 -4.864 9.163 1.00 0.00 O ATOM 1608 CB GLU A 100 184.786 -2.488 6.863 1.00 0.00 C ATOM 1609 CG GLU A 100 185.521 -3.374 5.870 1.00 0.00 C ATOM 1610 CD GLU A 100 186.707 -4.088 6.487 1.00 0.00 C ATOM 1611 OE1 GLU A 100 186.493 -5.104 7.176 1.00 0.00 O ATOM 1612 OE2 GLU A 100 187.850 -3.633 6.277 1.00 0.00 O ATOM 0 H GLU A 100 182.608 -1.386 7.294 1.00 0.00 H new ATOM 0 HA GLU A 100 183.342 -4.073 6.994 1.00 0.00 H new ATOM 0 HB2 GLU A 100 184.396 -1.615 6.340 1.00 0.00 H new ATOM 0 HB3 GLU A 100 185.495 -2.123 7.607 1.00 0.00 H new ATOM 0 HG2 GLU A 100 184.828 -4.112 5.466 1.00 0.00 H new ATOM 0 HG3 GLU A 100 185.864 -2.767 5.032 1.00 0.00 H new ATOM 1619 N MET A 101 184.158 -2.743 9.911 1.00 0.00 N ATOM 1620 CA MET A 101 184.567 -3.069 11.276 1.00 0.00 C ATOM 1621 C MET A 101 183.606 -4.077 11.910 1.00 0.00 C ATOM 1622 O MET A 101 184.037 -5.058 12.520 1.00 0.00 O ATOM 1623 CB MET A 101 184.643 -1.796 12.128 1.00 0.00 C ATOM 1624 CG MET A 101 186.045 -1.215 12.222 1.00 0.00 C ATOM 1625 SD MET A 101 186.272 -0.172 13.675 1.00 0.00 S ATOM 1626 CE MET A 101 187.006 -1.339 14.819 1.00 0.00 C ATOM 0 H MET A 101 183.947 -1.757 9.759 1.00 0.00 H new ATOM 0 HA MET A 101 185.557 -3.524 11.234 1.00 0.00 H new ATOM 0 HB2 MET A 101 183.974 -1.045 11.707 1.00 0.00 H new ATOM 0 HB3 MET A 101 184.281 -2.018 13.132 1.00 0.00 H new ATOM 0 HG2 MET A 101 186.770 -2.029 12.248 1.00 0.00 H new ATOM 0 HG3 MET A 101 186.253 -0.631 11.325 1.00 0.00 H new ATOM 0 HE1 MET A 101 187.206 -0.842 15.768 1.00 0.00 H new ATOM 0 HE2 MET A 101 186.319 -2.170 14.982 1.00 0.00 H new ATOM 0 HE3 MET A 101 187.940 -1.717 14.404 1.00 0.00 H new ATOM 1636 N ARG A 102 182.303 -3.833 11.756 1.00 0.00 N ATOM 1637 CA ARG A 102 181.280 -4.722 12.309 1.00 0.00 C ATOM 1638 C ARG A 102 181.279 -6.074 11.593 1.00 0.00 C ATOM 1639 O ARG A 102 181.193 -7.120 12.236 1.00 0.00 O ATOM 1640 CB ARG A 102 179.892 -4.075 12.205 1.00 0.00 C ATOM 1641 CG ARG A 102 179.194 -3.895 13.545 1.00 0.00 C ATOM 1642 CD ARG A 102 179.602 -2.593 14.219 1.00 0.00 C ATOM 1643 NE ARG A 102 178.782 -2.300 15.396 1.00 0.00 N ATOM 1644 CZ ARG A 102 179.014 -1.286 16.235 1.00 0.00 C ATOM 1645 NH1 ARG A 102 180.036 -0.459 16.032 1.00 0.00 N ATOM 1646 NH2 ARG A 102 178.217 -1.095 17.281 1.00 0.00 N ATOM 0 H ARG A 102 181.932 -3.027 11.253 1.00 0.00 H new ATOM 0 HA ARG A 102 181.517 -4.889 13.360 1.00 0.00 H new ATOM 0 HB2 ARG A 102 179.991 -3.102 11.724 1.00 0.00 H new ATOM 0 HB3 ARG A 102 179.264 -4.688 11.559 1.00 0.00 H new ATOM 0 HG2 ARG A 102 178.114 -3.906 13.398 1.00 0.00 H new ATOM 0 HG3 ARG A 102 179.435 -4.734 14.197 1.00 0.00 H new ATOM 0 HD2 ARG A 102 180.650 -2.651 14.513 1.00 0.00 H new ATOM 0 HD3 ARG A 102 179.516 -1.774 13.505 1.00 0.00 H new ATOM 0 HE ARG A 102 177.985 -2.907 15.587 1.00 0.00 H new ATOM 0 HH11 ARG A 102 180.651 -0.596 15.230 1.00 0.00 H new ATOM 0 HH12 ARG A 102 180.204 0.312 16.678 1.00 0.00 H new ATOM 0 HH21 ARG A 102 177.429 -1.722 17.443 1.00 0.00 H new ATOM 0 HH22 ARG A 102 178.393 -0.321 17.922 1.00 0.00 H new ATOM 1660 N PHE A 103 181.376 -6.044 10.261 1.00 0.00 N ATOM 1661 CA PHE A 103 181.384 -7.267 9.457 1.00 0.00 C ATOM 1662 C PHE A 103 182.558 -8.168 9.840 1.00 0.00 C ATOM 1663 O PHE A 103 182.385 -9.368 10.051 1.00 0.00 O ATOM 1664 CB PHE A 103 181.457 -6.927 7.963 1.00 0.00 C ATOM 1665 CG PHE A 103 180.291 -7.443 7.162 1.00 0.00 C ATOM 1666 CD1 PHE A 103 178.988 -7.178 7.556 1.00 0.00 C ATOM 1667 CD2 PHE A 103 180.501 -8.192 6.015 1.00 0.00 C ATOM 1668 CE1 PHE A 103 177.918 -7.652 6.820 1.00 0.00 C ATOM 1669 CE2 PHE A 103 179.435 -8.668 5.276 1.00 0.00 C ATOM 1670 CZ PHE A 103 178.141 -8.398 5.679 1.00 0.00 C ATOM 0 H PHE A 103 181.450 -5.184 9.717 1.00 0.00 H new ATOM 0 HA PHE A 103 180.456 -7.803 9.656 1.00 0.00 H new ATOM 0 HB2 PHE A 103 181.513 -5.844 7.849 1.00 0.00 H new ATOM 0 HB3 PHE A 103 182.379 -7.339 7.551 1.00 0.00 H new ATOM 0 HD1 PHE A 103 178.807 -6.595 8.447 1.00 0.00 H new ATOM 0 HD2 PHE A 103 181.510 -8.406 5.695 1.00 0.00 H new ATOM 0 HE1 PHE A 103 176.908 -7.439 7.137 1.00 0.00 H new ATOM 0 HE2 PHE A 103 179.613 -9.251 4.384 1.00 0.00 H new ATOM 0 HZ PHE A 103 177.306 -8.769 5.103 1.00 0.00 H new ATOM 1680 N ALA A 104 183.751 -7.579 9.931 1.00 0.00 N ATOM 1681 CA ALA A 104 184.952 -8.327 10.295 1.00 0.00 C ATOM 1682 C ALA A 104 184.846 -8.881 11.714 1.00 0.00 C ATOM 1683 O ALA A 104 185.353 -9.964 11.999 1.00 0.00 O ATOM 1684 CB ALA A 104 186.193 -7.454 10.156 1.00 0.00 C ATOM 0 H ALA A 104 183.910 -6.587 9.757 1.00 0.00 H new ATOM 0 HA ALA A 104 185.042 -9.169 9.608 1.00 0.00 H new ATOM 0 HB1 ALA A 104 187.076 -8.030 10.432 1.00 0.00 H new ATOM 0 HB2 ALA A 104 186.287 -7.117 9.124 1.00 0.00 H new ATOM 0 HB3 ALA A 104 186.105 -6.589 10.813 1.00 0.00 H new ATOM 1690 N LYS A 105 184.183 -8.134 12.601 1.00 0.00 N ATOM 1691 CA LYS A 105 184.013 -8.563 13.989 1.00 0.00 C ATOM 1692 C LYS A 105 183.020 -9.724 14.098 1.00 0.00 C ATOM 1693 O LYS A 105 183.270 -10.693 14.815 1.00 0.00 O ATOM 1694 CB LYS A 105 183.543 -7.392 14.861 1.00 0.00 C ATOM 1695 CG LYS A 105 184.369 -7.204 16.124 1.00 0.00 C ATOM 1696 CD LYS A 105 183.861 -6.036 16.956 1.00 0.00 C ATOM 1697 CE LYS A 105 184.815 -5.704 18.094 1.00 0.00 C ATOM 1698 NZ LYS A 105 185.737 -4.585 17.746 1.00 0.00 N ATOM 0 H LYS A 105 183.757 -7.233 12.383 1.00 0.00 H new ATOM 0 HA LYS A 105 184.983 -8.909 14.347 1.00 0.00 H new ATOM 0 HB2 LYS A 105 183.579 -6.475 14.273 1.00 0.00 H new ATOM 0 HB3 LYS A 105 182.501 -7.552 15.139 1.00 0.00 H new ATOM 0 HG2 LYS A 105 184.338 -8.117 16.719 1.00 0.00 H new ATOM 0 HG3 LYS A 105 185.412 -7.034 15.856 1.00 0.00 H new ATOM 0 HD2 LYS A 105 183.736 -5.161 16.318 1.00 0.00 H new ATOM 0 HD3 LYS A 105 182.879 -6.278 17.362 1.00 0.00 H new ATOM 0 HE2 LYS A 105 184.241 -5.437 18.981 1.00 0.00 H new ATOM 0 HE3 LYS A 105 185.399 -6.589 18.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 186.369 -4.393 18.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 186.304 -4.848 16.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 185.182 -3.732 17.530 1.00 0.00 H new ATOM 1712 N MET A 106 181.891 -9.620 13.390 1.00 0.00 N ATOM 1713 CA MET A 106 180.866 -10.666 13.419 1.00 0.00 C ATOM 1714 C MET A 106 181.343 -11.943 12.722 1.00 0.00 C ATOM 1715 O MET A 106 180.977 -13.049 13.125 1.00 0.00 O ATOM 1716 CB MET A 106 179.556 -10.172 12.787 1.00 0.00 C ATOM 1717 CG MET A 106 179.675 -9.775 11.321 1.00 0.00 C ATOM 1718 SD MET A 106 178.150 -10.058 10.401 1.00 0.00 S ATOM 1719 CE MET A 106 178.251 -11.822 10.110 1.00 0.00 C ATOM 0 H MET A 106 181.665 -8.825 12.792 1.00 0.00 H new ATOM 0 HA MET A 106 180.679 -10.904 14.466 1.00 0.00 H new ATOM 0 HB2 MET A 106 178.804 -10.956 12.879 1.00 0.00 H new ATOM 0 HB3 MET A 106 179.193 -9.315 13.355 1.00 0.00 H new ATOM 0 HG2 MET A 106 179.945 -8.721 11.254 1.00 0.00 H new ATOM 0 HG3 MET A 106 180.484 -10.341 10.859 1.00 0.00 H new ATOM 0 HE1 MET A 106 177.375 -12.149 9.549 1.00 0.00 H new ATOM 0 HE2 MET A 106 179.152 -12.046 9.539 1.00 0.00 H new ATOM 0 HE3 MET A 106 178.287 -12.347 11.065 1.00 0.00 H new ATOM 1729 N LEU A 107 182.159 -11.788 11.679 1.00 0.00 N ATOM 1730 CA LEU A 107 182.682 -12.935 10.939 1.00 0.00 C ATOM 1731 C LEU A 107 183.938 -13.488 11.610 1.00 0.00 C ATOM 1732 O LEU A 107 184.103 -14.703 11.726 1.00 0.00 O ATOM 1733 CB LEU A 107 183.002 -12.536 9.495 1.00 0.00 C ATOM 1734 CG LEU A 107 182.286 -13.352 8.416 1.00 0.00 C ATOM 1735 CD1 LEU A 107 181.934 -12.467 7.227 1.00 0.00 C ATOM 1736 CD2 LEU A 107 183.149 -14.528 7.975 1.00 0.00 C ATOM 0 H LEU A 107 182.471 -10.882 11.329 1.00 0.00 H new ATOM 0 HA LEU A 107 181.917 -13.711 10.936 1.00 0.00 H new ATOM 0 HB2 LEU A 107 182.747 -11.485 9.361 1.00 0.00 H new ATOM 0 HB3 LEU A 107 184.077 -12.625 9.341 1.00 0.00 H new ATOM 0 HG LEU A 107 181.361 -13.746 8.836 1.00 0.00 H new ATOM 0 HD11 LEU A 107 181.425 -13.062 6.468 1.00 0.00 H new ATOM 0 HD12 LEU A 107 181.278 -11.660 7.555 1.00 0.00 H new ATOM 0 HD13 LEU A 107 182.846 -12.044 6.805 1.00 0.00 H new ATOM 0 HD21 LEU A 107 182.624 -15.097 7.208 1.00 0.00 H new ATOM 0 HD22 LEU A 107 184.091 -14.157 7.571 1.00 0.00 H new ATOM 0 HD23 LEU A 107 183.350 -15.173 8.831 1.00 0.00 H new ATOM 1748 N GLN A 108 184.816 -12.588 12.051 1.00 0.00 N ATOM 1749 CA GLN A 108 186.057 -12.982 12.710 1.00 0.00 C ATOM 1750 C GLN A 108 186.047 -12.571 14.182 1.00 0.00 C ATOM 1751 O GLN A 108 185.890 -13.464 15.042 1.00 0.00 O ATOM 1752 CB GLN A 108 187.258 -12.357 11.990 1.00 0.00 C ATOM 1753 CG GLN A 108 188.257 -13.377 11.468 1.00 0.00 C ATOM 1754 CD GLN A 108 187.725 -14.173 10.285 1.00 0.00 C ATOM 1755 OE1 GLN A 108 186.516 -14.359 10.139 1.00 0.00 O ATOM 1756 NE2 GLN A 108 188.628 -14.647 9.431 1.00 0.00 N ATOM 0 H GLN A 108 184.689 -11.580 11.963 1.00 0.00 H new ATOM 0 HA GLN A 108 186.142 -14.068 12.662 1.00 0.00 H new ATOM 0 HB2 GLN A 108 186.897 -11.755 11.156 1.00 0.00 H new ATOM 0 HB3 GLN A 108 187.768 -11.679 12.675 1.00 0.00 H new ATOM 0 HG2 GLN A 108 189.172 -12.864 11.172 1.00 0.00 H new ATOM 0 HG3 GLN A 108 188.522 -14.064 12.272 1.00 0.00 H new ATOM 0 HE21 GLN A 108 189.620 -14.471 9.588 1.00 0.00 H new ATOM 0 HE22 GLN A 108 188.328 -15.187 8.619 1.00 0.00 H new