USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 722 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 76 GLN : amide:sc= 0.331 X(o=0.55,f=0.093) USER MOD Set 1.2: A 81 TYR OH : rot 131:sc= 0.223 USER MOD Single : A 1 GLY N :NH3+ -100:sc= 0.0602 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 166:sc=-0.00601 (180deg=-0.134) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.291 K(o=-0.29,f=-1.8!) USER MOD Single : A 25 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.15) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.773 K(o=-0.77,f=-0.13) USER MOD Single : A 39 THR OG1 : rot 123:sc= 0.0507 USER MOD Single : A 40 LYS NZ :NH3+ 152:sc= -0.882 (180deg=-1.94!) USER MOD Single : A 41 MET CE :methyl -163:sc= -0.0387 (180deg=-0.93) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -125:sc= -0.0183 (180deg=-0.942) USER MOD Single : A 50 GLN : amide:sc= -0.0371 K(o=-0.037,f=-1.9!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -1.64! K(o=-1.6!,f=-0.71) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 164:sc= 0.421 (180deg=0.277) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.0518) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.0133 K(o=-0.013,f=-0.62) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 CYS SG : rot -78:sc= 0.486 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot -1:sc= 1.22 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.680 -14.086 -1.733 1.00 0.00 N ATOM 2 CA GLY A 1 17.640 -15.084 -1.907 1.00 0.00 C ATOM 3 C GLY A 1 16.295 -14.466 -2.234 1.00 0.00 C ATOM 4 O GLY A 1 16.100 -13.262 -2.073 1.00 0.00 O ATOM 0 H1 GLY A 1 19.248 -14.021 -2.602 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.245 -13.163 -1.534 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.293 -14.359 -0.939 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.926 -15.768 -2.706 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.553 -15.677 -0.996 1.00 0.00 H new ATOM 8 N SER A 2 15.363 -15.294 -2.696 1.00 0.00 N ATOM 9 CA SER A 2 14.030 -14.822 -3.053 1.00 0.00 C ATOM 10 C SER A 2 13.128 -14.764 -1.824 1.00 0.00 C ATOM 11 O SER A 2 12.535 -15.769 -1.427 1.00 0.00 O ATOM 12 CB SER A 2 13.409 -15.733 -4.113 1.00 0.00 C ATOM 13 OG SER A 2 12.400 -15.055 -4.841 1.00 0.00 O ATOM 0 H SER A 2 15.506 -16.295 -2.832 1.00 0.00 H new ATOM 0 HA SER A 2 14.125 -13.816 -3.461 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.183 -16.081 -4.797 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.985 -16.616 -3.635 1.00 0.00 H new ATOM 0 HG SER A 2 12.020 -15.658 -5.513 1.00 0.00 H new ATOM 19 N SER A 3 13.027 -13.582 -1.224 1.00 0.00 N ATOM 20 CA SER A 3 12.201 -13.393 -0.038 1.00 0.00 C ATOM 21 C SER A 3 10.768 -13.041 -0.425 1.00 0.00 C ATOM 22 O SER A 3 10.508 -12.578 -1.535 1.00 0.00 O ATOM 23 CB SER A 3 12.787 -12.293 0.848 1.00 0.00 C ATOM 24 OG SER A 3 12.575 -11.013 0.277 1.00 0.00 O ATOM 0 H SER A 3 13.508 -12.740 -1.541 1.00 0.00 H new ATOM 0 HA SER A 3 12.189 -14.330 0.519 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.329 -12.335 1.836 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.855 -12.462 0.985 1.00 0.00 H new ATOM 0 HG SER A 3 12.957 -10.326 0.863 1.00 0.00 H new ATOM 30 N GLY A 4 9.840 -13.266 0.500 1.00 0.00 N ATOM 31 CA GLY A 4 8.443 -12.967 0.237 1.00 0.00 C ATOM 32 C GLY A 4 7.820 -13.931 -0.753 1.00 0.00 C ATOM 33 O GLY A 4 7.777 -15.137 -0.511 1.00 0.00 O ATOM 0 H GLY A 4 10.030 -13.650 1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.885 -13.001 1.173 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.358 -11.951 -0.148 1.00 0.00 H new ATOM 37 N SER A 5 7.337 -13.398 -1.869 1.00 0.00 N ATOM 38 CA SER A 5 6.707 -14.219 -2.897 1.00 0.00 C ATOM 39 C SER A 5 5.601 -15.084 -2.301 1.00 0.00 C ATOM 40 O SER A 5 5.524 -16.283 -2.567 1.00 0.00 O ATOM 41 CB SER A 5 7.750 -15.106 -3.581 1.00 0.00 C ATOM 42 OG SER A 5 8.487 -14.375 -4.546 1.00 0.00 O ATOM 0 H SER A 5 7.369 -12.402 -2.085 1.00 0.00 H new ATOM 0 HA SER A 5 6.264 -13.553 -3.637 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.430 -15.516 -2.834 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.255 -15.951 -4.060 1.00 0.00 H new ATOM 0 HG SER A 5 9.148 -14.963 -4.967 1.00 0.00 H new ATOM 48 N SER A 6 4.746 -14.466 -1.493 1.00 0.00 N ATOM 49 CA SER A 6 3.645 -15.177 -0.854 1.00 0.00 C ATOM 50 C SER A 6 2.301 -14.686 -1.381 1.00 0.00 C ATOM 51 O SER A 6 1.941 -13.523 -1.207 1.00 0.00 O ATOM 52 CB SER A 6 3.706 -14.999 0.664 1.00 0.00 C ATOM 53 OG SER A 6 4.626 -15.905 1.248 1.00 0.00 O ATOM 0 H SER A 6 4.795 -13.473 -1.265 1.00 0.00 H new ATOM 0 HA SER A 6 3.744 -16.236 -1.093 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.998 -13.976 0.902 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.716 -15.156 1.092 1.00 0.00 H new ATOM 0 HG SER A 6 4.647 -15.769 2.218 1.00 0.00 H new ATOM 59 N GLY A 7 1.562 -15.583 -2.029 1.00 0.00 N ATOM 60 CA GLY A 7 0.267 -15.222 -2.573 1.00 0.00 C ATOM 61 C GLY A 7 0.329 -13.989 -3.453 1.00 0.00 C ATOM 62 O GLY A 7 1.356 -13.683 -4.058 1.00 0.00 O ATOM 0 H GLY A 7 1.838 -16.552 -2.186 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.126 -16.058 -3.152 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.431 -15.045 -1.754 1.00 0.00 H new ATOM 66 N PRO A 8 -0.792 -13.257 -3.531 1.00 0.00 N ATOM 67 CA PRO A 8 -0.887 -12.039 -4.342 1.00 0.00 C ATOM 68 C PRO A 8 -0.063 -10.894 -3.763 1.00 0.00 C ATOM 69 O PRO A 8 0.090 -10.776 -2.548 1.00 0.00 O ATOM 70 CB PRO A 8 -2.379 -11.699 -4.300 1.00 0.00 C ATOM 71 CG PRO A 8 -2.872 -12.316 -3.036 1.00 0.00 C ATOM 72 CD PRO A 8 -2.054 -13.563 -2.837 1.00 0.00 C ATOM 0 HA PRO A 8 -0.499 -12.188 -5.350 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.540 -10.621 -4.303 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.902 -12.102 -5.168 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.752 -11.632 -2.195 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.934 -12.553 -3.105 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.891 -13.772 -1.780 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.545 -14.438 -3.263 1.00 0.00 H new ATOM 80 N LYS A 9 0.466 -10.048 -4.642 1.00 0.00 N ATOM 81 CA LYS A 9 1.272 -8.910 -4.219 1.00 0.00 C ATOM 82 C LYS A 9 0.399 -7.683 -3.982 1.00 0.00 C ATOM 83 O LYS A 9 -0.134 -7.096 -4.924 1.00 0.00 O ATOM 84 CB LYS A 9 2.338 -8.595 -5.272 1.00 0.00 C ATOM 85 CG LYS A 9 3.545 -7.861 -4.715 1.00 0.00 C ATOM 86 CD LYS A 9 4.744 -7.976 -5.641 1.00 0.00 C ATOM 87 CE LYS A 9 4.580 -7.106 -6.877 1.00 0.00 C ATOM 88 NZ LYS A 9 4.704 -5.657 -6.556 1.00 0.00 N ATOM 0 H LYS A 9 0.350 -10.130 -5.652 1.00 0.00 H new ATOM 0 HA LYS A 9 1.762 -9.172 -3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.670 -9.526 -5.731 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.890 -7.992 -6.062 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.297 -6.810 -4.568 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.800 -8.268 -3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.647 -7.683 -5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.874 -9.016 -5.941 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.333 -7.380 -7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.606 -7.296 -7.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.824 -5.116 -7.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.845 -5.335 -6.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.530 -5.507 -5.942 1.00 0.00 H new ATOM 102 N ALA A 10 0.257 -7.299 -2.717 1.00 0.00 N ATOM 103 CA ALA A 10 -0.549 -6.139 -2.357 1.00 0.00 C ATOM 104 C ALA A 10 -0.246 -4.955 -3.270 1.00 0.00 C ATOM 105 O ALA A 10 0.849 -4.394 -3.256 1.00 0.00 O ATOM 106 CB ALA A 10 -0.309 -5.761 -0.903 1.00 0.00 C ATOM 0 H ALA A 10 0.690 -7.774 -1.925 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.599 -6.403 -2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.917 -4.893 -0.648 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.582 -6.598 -0.260 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.744 -5.521 -0.759 1.00 0.00 H new ATOM 112 N PRO A 11 -1.238 -4.565 -4.083 1.00 0.00 N ATOM 113 CA PRO A 11 -1.102 -3.444 -5.018 1.00 0.00 C ATOM 114 C PRO A 11 -1.028 -2.099 -4.303 1.00 0.00 C ATOM 115 O PRO A 11 -1.384 -1.987 -3.131 1.00 0.00 O ATOM 116 CB PRO A 11 -2.375 -3.531 -5.864 1.00 0.00 C ATOM 117 CG PRO A 11 -3.364 -4.223 -4.991 1.00 0.00 C ATOM 118 CD PRO A 11 -2.571 -5.188 -4.153 1.00 0.00 C ATOM 0 HA PRO A 11 -0.182 -3.508 -5.600 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.727 -2.541 -6.153 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.201 -4.088 -6.784 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.898 -3.509 -4.364 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.112 -4.746 -5.587 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.008 -5.313 -3.162 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -2.529 -6.177 -4.610 1.00 0.00 H new ATOM 126 N VAL A 12 -0.562 -1.080 -5.018 1.00 0.00 N ATOM 127 CA VAL A 12 -0.442 0.260 -4.453 1.00 0.00 C ATOM 128 C VAL A 12 -1.791 0.969 -4.432 1.00 0.00 C ATOM 129 O VAL A 12 -2.673 0.676 -5.240 1.00 0.00 O ATOM 130 CB VAL A 12 0.564 1.115 -5.244 1.00 0.00 C ATOM 131 CG1 VAL A 12 1.979 0.589 -5.053 1.00 0.00 C ATOM 132 CG2 VAL A 12 0.193 1.146 -6.719 1.00 0.00 C ATOM 0 H VAL A 12 -0.261 -1.156 -5.990 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.081 0.142 -3.431 1.00 0.00 H new ATOM 0 HB VAL A 12 0.526 2.135 -4.862 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.676 1.206 -5.620 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.240 0.624 -3.995 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.035 -0.440 -5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.915 1.755 -7.263 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.201 0.131 -7.117 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.803 1.574 -6.835 1.00 0.00 H new ATOM 142 N THR A 13 -1.946 1.908 -3.502 1.00 0.00 N ATOM 143 CA THR A 13 -3.187 2.660 -3.376 1.00 0.00 C ATOM 144 C THR A 13 -3.126 3.959 -4.172 1.00 0.00 C ATOM 145 O THR A 13 -2.046 4.457 -4.485 1.00 0.00 O ATOM 146 CB THR A 13 -3.497 2.989 -1.902 1.00 0.00 C ATOM 147 OG1 THR A 13 -2.546 3.935 -1.401 1.00 0.00 O ATOM 148 CG2 THR A 13 -3.464 1.730 -1.049 1.00 0.00 C ATOM 0 H THR A 13 -1.227 2.165 -2.826 1.00 0.00 H new ATOM 0 HA THR A 13 -3.981 2.029 -3.775 1.00 0.00 H new ATOM 0 HB THR A 13 -4.498 3.418 -1.851 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.751 4.140 -0.465 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.686 1.986 -0.013 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.208 1.023 -1.415 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.474 1.277 -1.107 1.00 0.00 H new ATOM 156 N GLY A 14 -4.295 4.504 -4.496 1.00 0.00 N ATOM 157 CA GLY A 14 -4.352 5.741 -5.253 1.00 0.00 C ATOM 158 C GLY A 14 -3.264 6.717 -4.852 1.00 0.00 C ATOM 159 O GLY A 14 -2.674 7.383 -5.702 1.00 0.00 O ATOM 0 H GLY A 14 -5.203 4.111 -4.248 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.261 5.517 -6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.326 6.208 -5.107 1.00 0.00 H new ATOM 163 N TYR A 15 -2.998 6.802 -3.553 1.00 0.00 N ATOM 164 CA TYR A 15 -1.977 7.708 -3.040 1.00 0.00 C ATOM 165 C TYR A 15 -0.587 7.276 -3.499 1.00 0.00 C ATOM 166 O TYR A 15 0.124 8.035 -4.159 1.00 0.00 O ATOM 167 CB TYR A 15 -2.028 7.756 -1.512 1.00 0.00 C ATOM 168 CG TYR A 15 -0.934 8.597 -0.895 1.00 0.00 C ATOM 169 CD1 TYR A 15 -0.641 9.863 -1.388 1.00 0.00 C ATOM 170 CD2 TYR A 15 -0.192 8.126 0.181 1.00 0.00 C ATOM 171 CE1 TYR A 15 0.358 10.635 -0.828 1.00 0.00 C ATOM 172 CE2 TYR A 15 0.809 8.891 0.748 1.00 0.00 C ATOM 173 CZ TYR A 15 1.081 10.144 0.240 1.00 0.00 C ATOM 174 OH TYR A 15 2.076 10.911 0.802 1.00 0.00 O ATOM 0 H TYR A 15 -3.475 6.255 -2.836 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.179 8.704 -3.435 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -2.996 8.150 -1.202 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -1.957 6.740 -1.123 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.205 10.250 -2.224 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.401 7.145 0.581 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.572 11.617 -1.224 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.376 8.510 1.585 1.00 0.00 H new ATOM 0 HH TYR A 15 2.487 10.421 1.544 1.00 0.00 H new ATOM 184 N VAL A 16 -0.207 6.053 -3.146 1.00 0.00 N ATOM 185 CA VAL A 16 1.097 5.518 -3.523 1.00 0.00 C ATOM 186 C VAL A 16 1.262 5.492 -5.038 1.00 0.00 C ATOM 187 O VAL A 16 2.191 6.090 -5.582 1.00 0.00 O ATOM 188 CB VAL A 16 1.300 4.095 -2.970 1.00 0.00 C ATOM 189 CG1 VAL A 16 2.638 3.533 -3.425 1.00 0.00 C ATOM 190 CG2 VAL A 16 1.200 4.094 -1.452 1.00 0.00 C ATOM 0 H VAL A 16 -0.783 5.413 -2.599 1.00 0.00 H new ATOM 0 HA VAL A 16 1.849 6.178 -3.090 1.00 0.00 H new ATOM 0 HB VAL A 16 0.511 3.454 -3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.765 2.527 -3.025 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.666 3.497 -4.514 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.443 4.172 -3.062 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.346 3.080 -1.078 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.967 4.748 -1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.216 4.453 -1.152 1.00 0.00 H new ATOM 200 N ARG A 17 0.356 4.794 -5.715 1.00 0.00 N ATOM 201 CA ARG A 17 0.402 4.689 -7.169 1.00 0.00 C ATOM 202 C ARG A 17 0.885 5.994 -7.793 1.00 0.00 C ATOM 203 O ARG A 17 1.861 6.012 -8.544 1.00 0.00 O ATOM 204 CB ARG A 17 -0.979 4.328 -7.719 1.00 0.00 C ATOM 205 CG ARG A 17 -0.950 3.826 -9.153 1.00 0.00 C ATOM 206 CD ARG A 17 -2.355 3.655 -9.712 1.00 0.00 C ATOM 207 NE ARG A 17 -2.389 2.714 -10.827 1.00 0.00 N ATOM 208 CZ ARG A 17 -2.114 1.420 -10.708 1.00 0.00 C ATOM 209 NH1 ARG A 17 -1.787 0.915 -9.526 1.00 0.00 N ATOM 210 NH2 ARG A 17 -2.167 0.628 -11.771 1.00 0.00 N ATOM 0 H ARG A 17 -0.419 4.293 -5.280 1.00 0.00 H new ATOM 0 HA ARG A 17 1.107 3.899 -7.429 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.425 3.563 -7.084 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.624 5.205 -7.663 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.393 4.528 -9.774 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.422 2.874 -9.196 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -3.019 3.305 -8.922 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.734 4.622 -10.042 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.638 3.070 -11.750 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.746 1.521 -8.706 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.576 -0.079 -9.437 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.419 1.013 -12.681 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.955 -0.365 -11.678 1.00 0.00 H new ATOM 224 N PHE A 18 0.196 7.086 -7.478 1.00 0.00 N ATOM 225 CA PHE A 18 0.553 8.396 -8.009 1.00 0.00 C ATOM 226 C PHE A 18 1.982 8.768 -7.625 1.00 0.00 C ATOM 227 O PHE A 18 2.720 9.351 -8.419 1.00 0.00 O ATOM 228 CB PHE A 18 -0.418 9.461 -7.497 1.00 0.00 C ATOM 229 CG PHE A 18 0.178 10.838 -7.437 1.00 0.00 C ATOM 230 CD1 PHE A 18 1.092 11.169 -6.451 1.00 0.00 C ATOM 231 CD2 PHE A 18 -0.176 11.801 -8.368 1.00 0.00 C ATOM 232 CE1 PHE A 18 1.643 12.436 -6.394 1.00 0.00 C ATOM 233 CE2 PHE A 18 0.372 13.069 -8.316 1.00 0.00 C ATOM 234 CZ PHE A 18 1.281 13.387 -7.327 1.00 0.00 C ATOM 0 H PHE A 18 -0.613 7.089 -6.857 1.00 0.00 H new ATOM 0 HA PHE A 18 0.488 8.348 -9.096 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.295 9.482 -8.143 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.762 9.179 -6.502 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.378 10.429 -5.718 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.888 11.558 -9.143 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.356 12.681 -5.621 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.089 13.810 -9.049 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.708 14.378 -7.283 1.00 0.00 H new ATOM 244 N LEU A 19 2.366 8.425 -6.400 1.00 0.00 N ATOM 245 CA LEU A 19 3.707 8.723 -5.907 1.00 0.00 C ATOM 246 C LEU A 19 4.758 7.927 -6.675 1.00 0.00 C ATOM 247 O LEU A 19 5.901 8.362 -6.812 1.00 0.00 O ATOM 248 CB LEU A 19 3.804 8.408 -4.413 1.00 0.00 C ATOM 249 CG LEU A 19 3.017 9.330 -3.480 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.648 8.602 -2.197 1.00 0.00 C ATOM 251 CD2 LEU A 19 3.819 10.587 -3.173 1.00 0.00 C ATOM 0 H LEU A 19 1.768 7.941 -5.730 1.00 0.00 H new ATOM 0 HA LEU A 19 3.897 9.785 -6.061 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.461 7.385 -4.255 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.854 8.441 -4.123 1.00 0.00 H new ATOM 0 HG LEU A 19 2.096 9.625 -3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.089 9.274 -1.546 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.035 7.733 -2.435 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.556 8.277 -1.689 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.244 11.232 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.757 10.311 -2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.031 11.119 -4.100 1.00 0.00 H new ATOM 263 N ASN A 20 4.362 6.762 -7.175 1.00 0.00 N ATOM 264 CA ASN A 20 5.269 5.907 -7.931 1.00 0.00 C ATOM 265 C ASN A 20 5.384 6.379 -9.378 1.00 0.00 C ATOM 266 O ASN A 20 6.470 6.381 -9.955 1.00 0.00 O ATOM 267 CB ASN A 20 4.786 4.455 -7.895 1.00 0.00 C ATOM 268 CG ASN A 20 5.167 3.753 -6.605 1.00 0.00 C ATOM 269 OD1 ASN A 20 5.854 4.320 -5.756 1.00 0.00 O ATOM 270 ND2 ASN A 20 4.721 2.511 -6.455 1.00 0.00 N ATOM 0 H ASN A 20 3.419 6.388 -7.070 1.00 0.00 H new ATOM 0 HA ASN A 20 6.254 5.967 -7.468 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.703 4.432 -8.012 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.210 3.912 -8.740 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.945 1.987 -5.609 1.00 0.00 H new ATOM 0 HD22 ASN A 20 4.154 2.081 -7.186 1.00 0.00 H new ATOM 277 N GLU A 21 4.255 6.778 -9.956 1.00 0.00 N ATOM 278 CA GLU A 21 4.229 7.252 -11.334 1.00 0.00 C ATOM 279 C GLU A 21 4.944 8.594 -11.462 1.00 0.00 C ATOM 280 O GLU A 21 5.783 8.781 -12.343 1.00 0.00 O ATOM 281 CB GLU A 21 2.786 7.382 -11.825 1.00 0.00 C ATOM 282 CG GLU A 21 2.648 7.306 -13.336 1.00 0.00 C ATOM 283 CD GLU A 21 1.276 6.830 -13.774 1.00 0.00 C ATOM 284 OE1 GLU A 21 0.292 7.129 -13.066 1.00 0.00 O ATOM 285 OE2 GLU A 21 1.187 6.159 -14.823 1.00 0.00 O ATOM 0 H GLU A 21 3.347 6.782 -9.491 1.00 0.00 H new ATOM 0 HA GLU A 21 4.751 6.521 -11.952 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.185 6.593 -11.374 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.377 8.331 -11.479 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.841 8.289 -13.765 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.406 6.631 -13.733 1.00 0.00 H new ATOM 292 N ARG A 22 4.606 9.524 -10.576 1.00 0.00 N ATOM 293 CA ARG A 22 5.214 10.849 -10.588 1.00 0.00 C ATOM 294 C ARG A 22 6.712 10.764 -10.313 1.00 0.00 C ATOM 295 O ARG A 22 7.518 11.382 -11.009 1.00 0.00 O ATOM 296 CB ARG A 22 4.544 11.751 -9.550 1.00 0.00 C ATOM 297 CG ARG A 22 3.272 12.417 -10.051 1.00 0.00 C ATOM 298 CD ARG A 22 3.579 13.547 -11.021 1.00 0.00 C ATOM 299 NE ARG A 22 2.363 14.156 -11.554 1.00 0.00 N ATOM 300 CZ ARG A 22 2.365 15.164 -12.419 1.00 0.00 C ATOM 301 NH1 ARG A 22 3.511 15.673 -12.847 1.00 0.00 N ATOM 302 NH2 ARG A 22 1.217 15.664 -12.858 1.00 0.00 N ATOM 0 H ARG A 22 3.914 9.385 -9.840 1.00 0.00 H new ATOM 0 HA ARG A 22 5.069 11.278 -11.580 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.310 11.160 -8.665 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.250 12.522 -9.241 1.00 0.00 H new ATOM 0 HG2 ARG A 22 2.641 11.676 -10.542 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.706 12.806 -9.205 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.174 14.308 -10.515 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.184 13.165 -11.843 1.00 0.00 H new ATOM 0 HE ARG A 22 1.464 13.787 -11.245 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.395 15.291 -12.512 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.509 16.447 -13.511 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.333 15.274 -12.531 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.219 16.438 -13.522 1.00 0.00 H new ATOM 316 N ARG A 23 7.077 9.992 -9.294 1.00 0.00 N ATOM 317 CA ARG A 23 8.478 9.827 -8.925 1.00 0.00 C ATOM 318 C ARG A 23 9.369 9.816 -10.164 1.00 0.00 C ATOM 319 O ARG A 23 10.281 10.633 -10.291 1.00 0.00 O ATOM 320 CB ARG A 23 8.670 8.531 -8.134 1.00 0.00 C ATOM 321 CG ARG A 23 10.128 8.161 -7.917 1.00 0.00 C ATOM 322 CD ARG A 23 10.295 6.665 -7.698 1.00 0.00 C ATOM 323 NE ARG A 23 9.512 5.881 -8.649 1.00 0.00 N ATOM 324 CZ ARG A 23 9.905 5.629 -9.893 1.00 0.00 C ATOM 325 NH1 ARG A 23 11.065 6.095 -10.333 1.00 0.00 N ATOM 326 NH2 ARG A 23 9.136 4.907 -10.698 1.00 0.00 N ATOM 0 H ARG A 23 6.423 9.472 -8.710 1.00 0.00 H new ATOM 0 HA ARG A 23 8.765 10.672 -8.300 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.181 8.631 -7.165 1.00 0.00 H new ATOM 0 HB3 ARG A 23 8.172 7.717 -8.660 1.00 0.00 H new ATOM 0 HG2 ARG A 23 10.716 8.472 -8.781 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.518 8.702 -7.055 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.348 6.401 -7.791 1.00 0.00 H new ATOM 0 HD3 ARG A 23 9.991 6.411 -6.682 1.00 0.00 H new ATOM 0 HE ARG A 23 8.614 5.506 -8.342 1.00 0.00 H new ATOM 0 HH11 ARG A 23 11.659 6.649 -9.716 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.364 5.900 -11.289 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.243 4.546 -10.362 1.00 0.00 H new ATOM 0 HH22 ARG A 23 9.437 4.713 -11.653 1.00 0.00 H new ATOM 340 N GLU A 24 9.098 8.886 -11.073 1.00 0.00 N ATOM 341 CA GLU A 24 9.876 8.769 -12.302 1.00 0.00 C ATOM 342 C GLU A 24 10.285 10.145 -12.819 1.00 0.00 C ATOM 343 O GLU A 24 11.463 10.398 -13.071 1.00 0.00 O ATOM 344 CB GLU A 24 9.073 8.027 -13.372 1.00 0.00 C ATOM 345 CG GLU A 24 9.702 8.084 -14.754 1.00 0.00 C ATOM 346 CD GLU A 24 9.362 6.873 -15.600 1.00 0.00 C ATOM 347 OE1 GLU A 24 10.030 5.830 -15.437 1.00 0.00 O ATOM 348 OE2 GLU A 24 8.429 6.967 -16.424 1.00 0.00 O ATOM 0 H GLU A 24 8.346 8.202 -10.983 1.00 0.00 H new ATOM 0 HA GLU A 24 10.779 8.201 -12.078 1.00 0.00 H new ATOM 0 HB2 GLU A 24 8.964 6.984 -13.074 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.070 8.451 -13.421 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.365 8.986 -15.265 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.785 8.160 -14.653 1.00 0.00 H new ATOM 355 N GLN A 25 9.304 11.027 -12.975 1.00 0.00 N ATOM 356 CA GLN A 25 9.562 12.377 -13.463 1.00 0.00 C ATOM 357 C GLN A 25 10.687 13.037 -12.673 1.00 0.00 C ATOM 358 O GLN A 25 11.548 13.709 -13.243 1.00 0.00 O ATOM 359 CB GLN A 25 8.293 13.226 -13.373 1.00 0.00 C ATOM 360 CG GLN A 25 7.136 12.681 -14.194 1.00 0.00 C ATOM 361 CD GLN A 25 7.532 12.367 -15.623 1.00 0.00 C ATOM 362 OE1 GLN A 25 7.758 11.209 -15.976 1.00 0.00 O ATOM 363 NE2 GLN A 25 7.618 13.399 -16.454 1.00 0.00 N ATOM 0 H GLN A 25 8.324 10.832 -12.771 1.00 0.00 H new ATOM 0 HA GLN A 25 9.870 12.306 -14.506 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.986 13.296 -12.329 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.519 14.239 -13.707 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.753 11.777 -13.720 1.00 0.00 H new ATOM 0 HG3 GLN A 25 6.324 13.408 -14.197 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.422 14.342 -16.118 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.880 13.249 -17.428 1.00 0.00 H new ATOM 372 N ILE A 26 10.675 12.841 -11.359 1.00 0.00 N ATOM 373 CA ILE A 26 11.695 13.416 -10.491 1.00 0.00 C ATOM 374 C ILE A 26 13.060 12.790 -10.757 1.00 0.00 C ATOM 375 O ILE A 26 14.007 13.481 -11.134 1.00 0.00 O ATOM 376 CB ILE A 26 11.339 13.230 -9.004 1.00 0.00 C ATOM 377 CG1 ILE A 26 9.920 13.734 -8.731 1.00 0.00 C ATOM 378 CG2 ILE A 26 12.344 13.958 -8.125 1.00 0.00 C ATOM 379 CD1 ILE A 26 9.714 15.188 -9.096 1.00 0.00 C ATOM 0 H ILE A 26 9.970 12.288 -10.872 1.00 0.00 H new ATOM 0 HA ILE A 26 11.736 14.482 -10.716 1.00 0.00 H new ATOM 0 HB ILE A 26 11.379 12.167 -8.765 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.212 13.123 -9.292 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.692 13.597 -7.674 1.00 0.00 H new ATOM 0 HG21 ILE A 26 12.080 13.818 -7.077 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.342 13.557 -8.304 1.00 0.00 H new ATOM 0 HG23 ILE A 26 12.332 15.022 -8.363 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.686 15.476 -8.876 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.397 15.809 -8.516 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.910 15.328 -10.159 1.00 0.00 H new ATOM 391 N ARG A 27 13.152 11.479 -10.561 1.00 0.00 N ATOM 392 CA ARG A 27 14.401 10.759 -10.781 1.00 0.00 C ATOM 393 C ARG A 27 15.174 11.357 -11.953 1.00 0.00 C ATOM 394 O ARG A 27 16.393 11.517 -11.891 1.00 0.00 O ATOM 395 CB ARG A 27 14.121 9.279 -11.043 1.00 0.00 C ATOM 396 CG ARG A 27 13.986 8.451 -9.774 1.00 0.00 C ATOM 397 CD ARG A 27 15.344 8.140 -9.164 1.00 0.00 C ATOM 398 NE ARG A 27 15.957 6.961 -9.768 1.00 0.00 N ATOM 399 CZ ARG A 27 17.240 6.645 -9.627 1.00 0.00 C ATOM 400 NH1 ARG A 27 18.040 7.418 -8.904 1.00 0.00 N ATOM 401 NH2 ARG A 27 17.726 5.555 -10.207 1.00 0.00 N ATOM 0 H ARG A 27 12.377 10.893 -10.250 1.00 0.00 H new ATOM 0 HA ARG A 27 15.009 10.853 -9.881 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.204 9.189 -11.625 1.00 0.00 H new ATOM 0 HB3 ARG A 27 14.926 8.868 -11.651 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.376 8.990 -9.050 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.465 7.520 -9.999 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.004 8.998 -9.292 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.232 7.981 -8.091 1.00 0.00 H new ATOM 0 HE ARG A 27 15.368 6.346 -10.329 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.670 8.256 -8.455 1.00 0.00 H new ATOM 0 HH12 ARG A 27 19.025 7.174 -8.797 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.114 4.957 -10.763 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.711 5.315 -10.097 1.00 0.00 H new ATOM 415 N THR A 28 14.456 11.686 -13.023 1.00 0.00 N ATOM 416 CA THR A 28 15.073 12.265 -14.209 1.00 0.00 C ATOM 417 C THR A 28 15.747 13.594 -13.886 1.00 0.00 C ATOM 418 O THR A 28 16.914 13.805 -14.218 1.00 0.00 O ATOM 419 CB THR A 28 14.040 12.485 -15.329 1.00 0.00 C ATOM 420 OG1 THR A 28 13.312 11.276 -15.571 1.00 0.00 O ATOM 421 CG2 THR A 28 14.721 12.938 -16.612 1.00 0.00 C ATOM 0 H THR A 28 13.446 11.561 -13.092 1.00 0.00 H new ATOM 0 HA THR A 28 15.825 11.554 -14.553 1.00 0.00 H new ATOM 0 HB THR A 28 13.350 13.265 -15.007 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.656 11.426 -16.284 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.971 13.087 -17.389 1.00 0.00 H new ATOM 0 HG22 THR A 28 15.249 13.875 -16.433 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.432 12.177 -16.935 1.00 0.00 H new ATOM 429 N ARG A 29 15.006 14.485 -13.236 1.00 0.00 N ATOM 430 CA ARG A 29 15.533 15.794 -12.868 1.00 0.00 C ATOM 431 C ARG A 29 16.601 15.665 -11.787 1.00 0.00 C ATOM 432 O ARG A 29 17.712 16.176 -11.932 1.00 0.00 O ATOM 433 CB ARG A 29 14.403 16.703 -12.381 1.00 0.00 C ATOM 434 CG ARG A 29 13.752 17.513 -13.490 1.00 0.00 C ATOM 435 CD ARG A 29 12.620 16.743 -14.151 1.00 0.00 C ATOM 436 NE ARG A 29 12.437 17.130 -15.547 1.00 0.00 N ATOM 437 CZ ARG A 29 11.978 18.319 -15.926 1.00 0.00 C ATOM 438 NH1 ARG A 29 11.659 19.230 -15.017 1.00 0.00 N ATOM 439 NH2 ARG A 29 11.838 18.597 -17.216 1.00 0.00 N ATOM 0 H ARG A 29 14.039 14.325 -12.953 1.00 0.00 H new ATOM 0 HA ARG A 29 15.990 16.237 -13.753 1.00 0.00 H new ATOM 0 HB2 ARG A 29 13.642 16.093 -11.893 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.796 17.385 -11.627 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.368 18.448 -13.082 1.00 0.00 H new ATOM 0 HG3 ARG A 29 14.500 17.775 -14.238 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.828 15.674 -14.095 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.694 16.917 -13.602 1.00 0.00 H new ATOM 0 HE ARG A 29 12.674 16.451 -16.271 1.00 0.00 H new ATOM 0 HH11 ARG A 29 11.766 19.019 -14.025 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.307 20.141 -15.310 1.00 0.00 H new ATOM 0 HH21 ARG A 29 12.083 17.898 -17.918 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.486 19.509 -17.506 1.00 0.00 H new ATOM 453 N HIS A 30 16.256 14.981 -10.700 1.00 0.00 N ATOM 454 CA HIS A 30 17.185 14.786 -9.593 1.00 0.00 C ATOM 455 C HIS A 30 17.460 13.303 -9.369 1.00 0.00 C ATOM 456 O HIS A 30 16.897 12.669 -8.476 1.00 0.00 O ATOM 457 CB HIS A 30 16.626 15.411 -8.315 1.00 0.00 C ATOM 458 CG HIS A 30 15.920 16.712 -8.543 1.00 0.00 C ATOM 459 ND1 HIS A 30 16.495 17.937 -8.277 1.00 0.00 N ATOM 460 CD2 HIS A 30 14.680 16.975 -9.016 1.00 0.00 C ATOM 461 CE1 HIS A 30 15.638 18.897 -8.576 1.00 0.00 C ATOM 462 NE2 HIS A 30 14.529 18.340 -9.026 1.00 0.00 N ATOM 0 H HIS A 30 15.340 14.553 -10.563 1.00 0.00 H new ATOM 0 HA HIS A 30 18.124 15.277 -9.849 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.935 14.709 -7.849 1.00 0.00 H new ATOM 0 HB3 HIS A 30 17.443 15.569 -7.610 1.00 0.00 H new ATOM 0 HD2 HIS A 30 13.946 16.247 -9.328 1.00 0.00 H new ATOM 0 HE1 HIS A 30 15.815 19.957 -8.470 1.00 0.00 H new ATOM 0 HE2 HIS A 30 13.695 18.842 -9.332 1.00 0.00 H new ATOM 471 N PRO A 31 18.346 12.733 -10.200 1.00 0.00 N ATOM 472 CA PRO A 31 18.715 11.316 -10.113 1.00 0.00 C ATOM 473 C PRO A 31 19.539 11.008 -8.868 1.00 0.00 C ATOM 474 O PRO A 31 19.916 9.860 -8.630 1.00 0.00 O ATOM 475 CB PRO A 31 19.552 11.091 -11.376 1.00 0.00 C ATOM 476 CG PRO A 31 20.101 12.433 -11.712 1.00 0.00 C ATOM 477 CD PRO A 31 19.056 13.427 -11.289 1.00 0.00 C ATOM 0 HA PRO A 31 17.840 10.670 -10.043 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.350 10.370 -11.198 1.00 0.00 H new ATOM 0 HB3 PRO A 31 18.943 10.698 -12.190 1.00 0.00 H new ATOM 0 HG2 PRO A 31 21.042 12.611 -11.191 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.307 12.514 -12.779 1.00 0.00 H new ATOM 0 HD2 PRO A 31 19.504 14.360 -10.946 1.00 0.00 H new ATOM 0 HD3 PRO A 31 18.385 13.679 -12.110 1.00 0.00 H new ATOM 485 N ASP A 32 19.811 12.038 -8.075 1.00 0.00 N ATOM 486 CA ASP A 32 20.588 11.875 -6.850 1.00 0.00 C ATOM 487 C ASP A 32 19.673 11.810 -5.631 1.00 0.00 C ATOM 488 O ASP A 32 19.972 11.121 -4.654 1.00 0.00 O ATOM 489 CB ASP A 32 21.583 13.027 -6.697 1.00 0.00 C ATOM 490 CG ASP A 32 22.661 13.008 -7.762 1.00 0.00 C ATOM 491 OD1 ASP A 32 23.632 12.237 -7.609 1.00 0.00 O ATOM 492 OD2 ASP A 32 22.533 13.762 -8.748 1.00 0.00 O ATOM 0 H ASP A 32 19.506 12.994 -8.257 1.00 0.00 H new ATOM 0 HA ASP A 32 21.138 10.936 -6.918 1.00 0.00 H new ATOM 0 HB2 ASP A 32 21.047 13.975 -6.744 1.00 0.00 H new ATOM 0 HB3 ASP A 32 22.048 12.973 -5.713 1.00 0.00 H new ATOM 497 N LEU A 33 18.559 12.531 -5.694 1.00 0.00 N ATOM 498 CA LEU A 33 17.601 12.556 -4.595 1.00 0.00 C ATOM 499 C LEU A 33 17.185 11.142 -4.203 1.00 0.00 C ATOM 500 O LEU A 33 16.623 10.391 -5.000 1.00 0.00 O ATOM 501 CB LEU A 33 16.368 13.373 -4.986 1.00 0.00 C ATOM 502 CG LEU A 33 16.501 14.891 -4.856 1.00 0.00 C ATOM 503 CD1 LEU A 33 15.131 15.551 -4.887 1.00 0.00 C ATOM 504 CD2 LEU A 33 17.241 15.254 -3.576 1.00 0.00 C ATOM 0 H LEU A 33 18.297 13.106 -6.495 1.00 0.00 H new ATOM 0 HA LEU A 33 18.082 13.024 -3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.113 13.138 -6.019 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.530 13.047 -4.369 1.00 0.00 H new ATOM 0 HG LEU A 33 17.079 15.260 -5.703 1.00 0.00 H new ATOM 0 HD11 LEU A 33 15.245 16.631 -4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.637 15.319 -5.830 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.528 15.177 -4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 33 17.326 16.338 -3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.690 14.872 -2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.237 14.812 -3.594 1.00 0.00 H new ATOM 516 N PRO A 34 17.465 10.770 -2.945 1.00 0.00 N ATOM 517 CA PRO A 34 17.126 9.444 -2.418 1.00 0.00 C ATOM 518 C PRO A 34 15.623 9.257 -2.243 1.00 0.00 C ATOM 519 O PRO A 34 14.863 10.226 -2.239 1.00 0.00 O ATOM 520 CB PRO A 34 17.830 9.412 -1.060 1.00 0.00 C ATOM 521 CG PRO A 34 17.953 10.842 -0.662 1.00 0.00 C ATOM 522 CD PRO A 34 18.133 11.613 -1.941 1.00 0.00 C ATOM 0 HA PRO A 34 17.435 8.646 -3.093 1.00 0.00 H new ATOM 0 HB2 PRO A 34 17.253 8.846 -0.329 1.00 0.00 H new ATOM 0 HB3 PRO A 34 18.808 8.936 -1.132 1.00 0.00 H new ATOM 0 HG2 PRO A 34 17.064 11.176 -0.127 1.00 0.00 H new ATOM 0 HG3 PRO A 34 18.802 10.990 0.006 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.679 12.602 -1.881 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.187 11.760 -2.177 1.00 0.00 H new ATOM 530 N PHE A 35 15.199 8.006 -2.099 1.00 0.00 N ATOM 531 CA PHE A 35 13.786 7.692 -1.923 1.00 0.00 C ATOM 532 C PHE A 35 13.124 8.681 -0.969 1.00 0.00 C ATOM 533 O PHE A 35 12.156 9.362 -1.313 1.00 0.00 O ATOM 534 CB PHE A 35 13.620 6.266 -1.394 1.00 0.00 C ATOM 535 CG PHE A 35 12.422 6.093 -0.504 1.00 0.00 C ATOM 536 CD1 PHE A 35 11.199 6.642 -0.851 1.00 0.00 C ATOM 537 CD2 PHE A 35 12.520 5.380 0.680 1.00 0.00 C ATOM 538 CE1 PHE A 35 10.096 6.485 -0.034 1.00 0.00 C ATOM 539 CE2 PHE A 35 11.420 5.219 1.502 1.00 0.00 C ATOM 540 CZ PHE A 35 10.207 5.771 1.143 1.00 0.00 C ATOM 0 H PHE A 35 15.814 7.192 -2.101 1.00 0.00 H new ATOM 0 HA PHE A 35 13.299 7.770 -2.895 1.00 0.00 H new ATOM 0 HB2 PHE A 35 13.538 5.581 -2.238 1.00 0.00 H new ATOM 0 HB3 PHE A 35 14.517 5.985 -0.842 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.106 7.200 -1.771 1.00 0.00 H new ATOM 0 HD2 PHE A 35 13.467 4.945 0.964 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.148 6.920 -0.315 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.510 4.662 2.423 1.00 0.00 H new ATOM 0 HZ PHE A 35 9.345 5.645 1.782 1.00 0.00 H new ATOM 550 N PRO A 36 13.655 8.764 0.259 1.00 0.00 N ATOM 551 CA PRO A 36 13.133 9.666 1.290 1.00 0.00 C ATOM 552 C PRO A 36 13.403 11.132 0.968 1.00 0.00 C ATOM 553 O PRO A 36 13.361 11.988 1.850 1.00 0.00 O ATOM 554 CB PRO A 36 13.894 9.246 2.549 1.00 0.00 C ATOM 555 CG PRO A 36 15.157 8.642 2.044 1.00 0.00 C ATOM 556 CD PRO A 36 14.809 7.983 0.738 1.00 0.00 C ATOM 0 HA PRO A 36 12.050 9.591 1.386 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.095 10.101 3.194 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.321 8.530 3.138 1.00 0.00 H new ATOM 0 HG2 PRO A 36 15.925 9.403 1.904 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.553 7.916 2.754 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.640 8.022 0.034 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.555 6.932 0.873 1.00 0.00 H new ATOM 564 N GLU A 37 13.678 11.414 -0.302 1.00 0.00 N ATOM 565 CA GLU A 37 13.955 12.776 -0.739 1.00 0.00 C ATOM 566 C GLU A 37 13.127 13.132 -1.972 1.00 0.00 C ATOM 567 O GLU A 37 12.949 14.307 -2.294 1.00 0.00 O ATOM 568 CB GLU A 37 15.444 12.945 -1.045 1.00 0.00 C ATOM 569 CG GLU A 37 16.266 13.388 0.154 1.00 0.00 C ATOM 570 CD GLU A 37 16.185 14.882 0.397 1.00 0.00 C ATOM 571 OE1 GLU A 37 15.069 15.436 0.311 1.00 0.00 O ATOM 572 OE2 GLU A 37 17.236 15.496 0.673 1.00 0.00 O ATOM 0 H GLU A 37 13.715 10.717 -1.046 1.00 0.00 H new ATOM 0 HA GLU A 37 13.679 13.452 0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.839 12.000 -1.417 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.561 13.676 -1.845 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.919 12.860 1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.307 13.105 0.001 1.00 0.00 H new ATOM 579 N ILE A 38 12.627 12.109 -2.655 1.00 0.00 N ATOM 580 CA ILE A 38 11.818 12.313 -3.851 1.00 0.00 C ATOM 581 C ILE A 38 10.331 12.284 -3.520 1.00 0.00 C ATOM 582 O ILE A 38 9.531 12.985 -4.142 1.00 0.00 O ATOM 583 CB ILE A 38 12.116 11.244 -4.920 1.00 0.00 C ATOM 584 CG1 ILE A 38 13.580 11.321 -5.356 1.00 0.00 C ATOM 585 CG2 ILE A 38 11.191 11.420 -6.115 1.00 0.00 C ATOM 586 CD1 ILE A 38 14.007 10.175 -6.246 1.00 0.00 C ATOM 0 H ILE A 38 12.767 11.131 -2.402 1.00 0.00 H new ATOM 0 HA ILE A 38 12.080 13.294 -4.246 1.00 0.00 H new ATOM 0 HB ILE A 38 11.938 10.259 -4.488 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.745 12.261 -5.883 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.214 11.338 -4.470 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.413 10.658 -6.862 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.155 11.320 -5.791 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.341 12.408 -6.549 1.00 0.00 H new ATOM 0 HD11 ILE A 38 15.056 10.295 -6.516 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.875 9.233 -5.714 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.398 10.170 -7.150 1.00 0.00 H new ATOM 598 N THR A 39 9.964 11.471 -2.535 1.00 0.00 N ATOM 599 CA THR A 39 8.572 11.351 -2.119 1.00 0.00 C ATOM 600 C THR A 39 8.116 12.592 -1.361 1.00 0.00 C ATOM 601 O THR A 39 6.997 13.070 -1.546 1.00 0.00 O ATOM 602 CB THR A 39 8.356 10.111 -1.231 1.00 0.00 C ATOM 603 OG1 THR A 39 8.469 8.920 -2.017 1.00 0.00 O ATOM 604 CG2 THR A 39 6.990 10.156 -0.564 1.00 0.00 C ATOM 0 H THR A 39 10.612 10.885 -2.009 1.00 0.00 H new ATOM 0 HA THR A 39 7.978 11.245 -3.027 1.00 0.00 H new ATOM 0 HB THR A 39 9.122 10.108 -0.456 1.00 0.00 H new ATOM 0 HG1 THR A 39 9.166 8.344 -1.639 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.859 9.270 0.058 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.917 11.049 0.056 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.213 10.181 -1.328 1.00 0.00 H new ATOM 612 N LYS A 40 8.991 13.110 -0.504 1.00 0.00 N ATOM 613 CA LYS A 40 8.679 14.298 0.282 1.00 0.00 C ATOM 614 C LYS A 40 8.252 15.451 -0.620 1.00 0.00 C ATOM 615 O LYS A 40 7.443 16.292 -0.226 1.00 0.00 O ATOM 616 CB LYS A 40 9.891 14.712 1.119 1.00 0.00 C ATOM 617 CG LYS A 40 10.997 15.366 0.308 1.00 0.00 C ATOM 618 CD LYS A 40 11.890 16.233 1.178 1.00 0.00 C ATOM 619 CE LYS A 40 11.328 17.637 1.331 1.00 0.00 C ATOM 620 NZ LYS A 40 10.209 17.684 2.312 1.00 0.00 N ATOM 0 H LYS A 40 9.921 12.726 -0.337 1.00 0.00 H new ATOM 0 HA LYS A 40 7.851 14.056 0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.566 15.403 1.897 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.292 13.832 1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.597 14.596 -0.177 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.558 15.974 -0.483 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.998 15.774 2.161 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.887 16.285 0.740 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.121 18.312 1.652 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.977 17.995 0.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.165 18.629 2.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.312 17.484 1.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.367 16.972 3.053 1.00 0.00 H new ATOM 634 N MET A 41 8.799 15.484 -1.829 1.00 0.00 N ATOM 635 CA MET A 41 8.472 16.534 -2.788 1.00 0.00 C ATOM 636 C MET A 41 7.128 16.261 -3.456 1.00 0.00 C ATOM 637 O MET A 41 6.240 17.114 -3.460 1.00 0.00 O ATOM 638 CB MET A 41 9.568 16.646 -3.849 1.00 0.00 C ATOM 639 CG MET A 41 10.861 17.250 -3.325 1.00 0.00 C ATOM 640 SD MET A 41 11.868 17.977 -4.633 1.00 0.00 S ATOM 641 CE MET A 41 12.062 16.573 -5.729 1.00 0.00 C ATOM 0 H MET A 41 9.471 14.796 -2.169 1.00 0.00 H new ATOM 0 HA MET A 41 8.404 17.477 -2.246 1.00 0.00 H new ATOM 0 HB2 MET A 41 9.776 15.654 -4.251 1.00 0.00 H new ATOM 0 HB3 MET A 41 9.201 17.254 -4.676 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.626 18.015 -2.585 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.437 16.478 -2.814 1.00 0.00 H new ATOM 0 HE1 MET A 41 12.889 16.758 -6.415 1.00 0.00 H new ATOM 0 HE2 MET A 41 12.271 15.679 -5.142 1.00 0.00 H new ATOM 0 HE3 MET A 41 11.144 16.426 -6.299 1.00 0.00 H new ATOM 651 N LEU A 42 6.985 15.067 -4.020 1.00 0.00 N ATOM 652 CA LEU A 42 5.749 14.682 -4.692 1.00 0.00 C ATOM 653 C LEU A 42 4.542 14.921 -3.791 1.00 0.00 C ATOM 654 O LEU A 42 3.540 15.493 -4.217 1.00 0.00 O ATOM 655 CB LEU A 42 5.808 13.209 -5.105 1.00 0.00 C ATOM 656 CG LEU A 42 6.923 12.829 -6.080 1.00 0.00 C ATOM 657 CD1 LEU A 42 7.044 11.317 -6.189 1.00 0.00 C ATOM 658 CD2 LEU A 42 6.667 13.445 -7.448 1.00 0.00 C ATOM 0 H LEU A 42 7.709 14.349 -4.025 1.00 0.00 H new ATOM 0 HA LEU A 42 5.641 15.300 -5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.918 12.604 -4.205 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.852 12.940 -5.555 1.00 0.00 H new ATOM 0 HG LEU A 42 7.865 13.222 -5.697 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.842 11.065 -6.887 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.274 10.899 -5.209 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.103 10.902 -6.549 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.470 13.164 -8.129 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.716 13.082 -7.838 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.631 14.531 -7.357 1.00 0.00 H new ATOM 670 N GLY A 43 4.647 14.480 -2.541 1.00 0.00 N ATOM 671 CA GLY A 43 3.557 14.658 -1.598 1.00 0.00 C ATOM 672 C GLY A 43 2.824 15.970 -1.800 1.00 0.00 C ATOM 673 O GLY A 43 1.609 15.985 -1.992 1.00 0.00 O ATOM 0 H GLY A 43 5.466 14.003 -2.164 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.853 13.832 -1.701 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.949 14.617 -0.582 1.00 0.00 H new ATOM 677 N ALA A 44 3.564 17.072 -1.756 1.00 0.00 N ATOM 678 CA ALA A 44 2.977 18.394 -1.936 1.00 0.00 C ATOM 679 C ALA A 44 2.025 18.415 -3.127 1.00 0.00 C ATOM 680 O ALA A 44 0.930 18.972 -3.050 1.00 0.00 O ATOM 681 CB ALA A 44 4.069 19.438 -2.113 1.00 0.00 C ATOM 0 H ALA A 44 4.572 17.076 -1.597 1.00 0.00 H new ATOM 0 HA ALA A 44 2.403 18.633 -1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.615 20.420 -2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.707 19.450 -1.230 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.668 19.193 -2.990 1.00 0.00 H new ATOM 687 N GLU A 45 2.451 17.804 -4.230 1.00 0.00 N ATOM 688 CA GLU A 45 1.636 17.755 -5.438 1.00 0.00 C ATOM 689 C GLU A 45 0.305 17.059 -5.168 1.00 0.00 C ATOM 690 O GLU A 45 -0.748 17.521 -5.607 1.00 0.00 O ATOM 691 CB GLU A 45 2.385 17.027 -6.556 1.00 0.00 C ATOM 692 CG GLU A 45 3.772 17.587 -6.824 1.00 0.00 C ATOM 693 CD GLU A 45 3.753 18.757 -7.788 1.00 0.00 C ATOM 694 OE1 GLU A 45 3.085 18.648 -8.837 1.00 0.00 O ATOM 695 OE2 GLU A 45 4.405 19.780 -7.494 1.00 0.00 O ATOM 0 H GLU A 45 3.354 17.337 -4.311 1.00 0.00 H new ATOM 0 HA GLU A 45 1.435 18.779 -5.751 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.472 15.972 -6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.797 17.082 -7.472 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.220 17.904 -5.882 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.406 16.798 -7.229 1.00 0.00 H new ATOM 702 N TRP A 46 0.360 15.947 -4.443 1.00 0.00 N ATOM 703 CA TRP A 46 -0.841 15.188 -4.114 1.00 0.00 C ATOM 704 C TRP A 46 -1.871 16.073 -3.422 1.00 0.00 C ATOM 705 O TRP A 46 -3.068 15.974 -3.691 1.00 0.00 O ATOM 706 CB TRP A 46 -0.488 13.998 -3.221 1.00 0.00 C ATOM 707 CG TRP A 46 -1.690 13.290 -2.672 1.00 0.00 C ATOM 708 CD1 TRP A 46 -2.135 13.312 -1.382 1.00 0.00 C ATOM 709 CD2 TRP A 46 -2.598 12.455 -3.399 1.00 0.00 C ATOM 710 NE1 TRP A 46 -3.266 12.540 -1.261 1.00 0.00 N ATOM 711 CE2 TRP A 46 -3.570 12.004 -2.485 1.00 0.00 C ATOM 712 CE3 TRP A 46 -2.686 12.046 -4.732 1.00 0.00 C ATOM 713 CZ2 TRP A 46 -4.615 11.165 -2.864 1.00 0.00 C ATOM 714 CZ3 TRP A 46 -3.722 11.212 -5.106 1.00 0.00 C ATOM 715 CH2 TRP A 46 -4.676 10.780 -4.175 1.00 0.00 C ATOM 0 H TRP A 46 1.224 15.551 -4.072 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.274 14.819 -5.044 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.112 13.290 -3.792 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.130 14.345 -2.393 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -1.667 13.856 -0.575 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -3.793 12.391 -0.401 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.957 12.376 -5.457 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.351 10.830 -2.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.798 10.888 -6.133 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.475 10.130 -4.499 1.00 0.00 H new ATOM 726 N SER A 47 -1.399 16.936 -2.527 1.00 0.00 N ATOM 727 CA SER A 47 -2.281 17.834 -1.793 1.00 0.00 C ATOM 728 C SER A 47 -2.710 19.008 -2.668 1.00 0.00 C ATOM 729 O SER A 47 -3.770 19.600 -2.458 1.00 0.00 O ATOM 730 CB SER A 47 -1.584 18.351 -0.533 1.00 0.00 C ATOM 731 OG SER A 47 -2.517 18.912 0.372 1.00 0.00 O ATOM 0 H SER A 47 -0.411 17.031 -2.293 1.00 0.00 H new ATOM 0 HA SER A 47 -3.170 17.274 -1.504 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.049 17.534 -0.049 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.842 19.101 -0.806 1.00 0.00 H new ATOM 0 HG SER A 47 -2.047 19.234 1.169 1.00 0.00 H new ATOM 737 N LYS A 48 -1.879 19.342 -3.650 1.00 0.00 N ATOM 738 CA LYS A 48 -2.171 20.444 -4.559 1.00 0.00 C ATOM 739 C LYS A 48 -2.857 19.938 -5.823 1.00 0.00 C ATOM 740 O LYS A 48 -3.003 20.676 -6.800 1.00 0.00 O ATOM 741 CB LYS A 48 -0.883 21.184 -4.925 1.00 0.00 C ATOM 742 CG LYS A 48 -0.232 21.894 -3.750 1.00 0.00 C ATOM 743 CD LYS A 48 0.838 22.869 -4.209 1.00 0.00 C ATOM 744 CE LYS A 48 2.090 22.143 -4.677 1.00 0.00 C ATOM 745 NZ LYS A 48 2.032 21.814 -6.127 1.00 0.00 N ATOM 0 H LYS A 48 -0.997 18.865 -3.837 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.846 21.133 -4.052 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.173 20.473 -5.347 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.103 21.915 -5.703 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.992 22.429 -3.181 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.210 21.158 -3.079 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.448 23.484 -5.020 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.092 23.544 -3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.964 22.764 -4.480 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.214 21.226 -4.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.182 20.793 -6.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.100 22.078 -6.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.773 22.341 -6.632 1.00 0.00 H new ATOM 759 N LEU A 49 -3.277 18.679 -5.800 1.00 0.00 N ATOM 760 CA LEU A 49 -3.950 18.076 -6.946 1.00 0.00 C ATOM 761 C LEU A 49 -5.349 18.657 -7.123 1.00 0.00 C ATOM 762 O LEU A 49 -5.785 19.500 -6.341 1.00 0.00 O ATOM 763 CB LEU A 49 -4.035 16.559 -6.771 1.00 0.00 C ATOM 764 CG LEU A 49 -2.860 15.753 -7.325 1.00 0.00 C ATOM 765 CD1 LEU A 49 -3.000 14.283 -6.961 1.00 0.00 C ATOM 766 CD2 LEU A 49 -2.760 15.923 -8.835 1.00 0.00 C ATOM 0 H LEU A 49 -3.164 18.055 -5.001 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.367 18.301 -7.839 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.130 16.341 -5.707 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.949 16.209 -7.251 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.942 16.131 -6.875 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.154 13.726 -7.364 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.020 14.177 -5.876 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.926 13.891 -7.381 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.918 15.342 -9.212 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.680 15.573 -9.302 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.610 16.976 -9.073 1.00 0.00 H new ATOM 778 N GLN A 50 -6.048 18.198 -8.157 1.00 0.00 N ATOM 779 CA GLN A 50 -7.399 18.673 -8.436 1.00 0.00 C ATOM 780 C GLN A 50 -8.439 17.760 -7.796 1.00 0.00 C ATOM 781 O GLN A 50 -8.164 16.610 -7.452 1.00 0.00 O ATOM 782 CB GLN A 50 -7.632 18.751 -9.946 1.00 0.00 C ATOM 783 CG GLN A 50 -7.249 20.091 -10.552 1.00 0.00 C ATOM 784 CD GLN A 50 -7.103 20.031 -12.060 1.00 0.00 C ATOM 785 OE1 GLN A 50 -7.162 18.956 -12.657 1.00 0.00 O ATOM 786 NE2 GLN A 50 -6.912 21.187 -12.684 1.00 0.00 N ATOM 0 H GLN A 50 -5.702 17.499 -8.814 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.503 19.670 -8.007 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -7.059 17.963 -10.435 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.684 18.555 -10.154 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.006 20.832 -10.294 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.310 20.428 -10.113 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.870 22.054 -12.149 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.808 21.208 -13.698 1.00 0.00 H new ATOM 795 N PRO A 51 -9.663 18.283 -7.629 1.00 0.00 N ATOM 796 CA PRO A 51 -10.770 17.532 -7.029 1.00 0.00 C ATOM 797 C PRO A 51 -11.266 16.409 -7.932 1.00 0.00 C ATOM 798 O PRO A 51 -12.213 15.699 -7.594 1.00 0.00 O ATOM 799 CB PRO A 51 -11.859 18.592 -6.846 1.00 0.00 C ATOM 800 CG PRO A 51 -11.557 19.627 -7.874 1.00 0.00 C ATOM 801 CD PRO A 51 -10.060 19.647 -8.014 1.00 0.00 C ATOM 0 HA PRO A 51 -10.474 17.041 -6.102 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.853 18.168 -6.991 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.836 19.014 -5.841 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.035 19.385 -8.823 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.933 20.603 -7.568 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.755 19.881 -9.034 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.606 20.396 -7.365 1.00 0.00 H new ATOM 809 N ALA A 52 -10.619 16.253 -9.084 1.00 0.00 N ATOM 810 CA ALA A 52 -10.994 15.213 -10.035 1.00 0.00 C ATOM 811 C ALA A 52 -9.883 14.179 -10.183 1.00 0.00 C ATOM 812 O ALA A 52 -10.148 12.982 -10.284 1.00 0.00 O ATOM 813 CB ALA A 52 -11.327 15.830 -11.385 1.00 0.00 C ATOM 0 H ALA A 52 -9.834 16.833 -9.380 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.879 14.705 -9.652 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.605 15.043 -12.086 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.158 16.526 -11.272 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.456 16.364 -11.766 1.00 0.00 H new ATOM 819 N GLU A 53 -8.640 14.650 -10.197 1.00 0.00 N ATOM 820 CA GLU A 53 -7.490 13.765 -10.334 1.00 0.00 C ATOM 821 C GLU A 53 -7.246 12.984 -9.047 1.00 0.00 C ATOM 822 O GLU A 53 -7.170 11.755 -9.056 1.00 0.00 O ATOM 823 CB GLU A 53 -6.240 14.568 -10.701 1.00 0.00 C ATOM 824 CG GLU A 53 -6.369 15.331 -12.008 1.00 0.00 C ATOM 825 CD GLU A 53 -6.876 14.464 -13.143 1.00 0.00 C ATOM 826 OE1 GLU A 53 -6.253 13.414 -13.410 1.00 0.00 O ATOM 827 OE2 GLU A 53 -7.894 14.832 -13.765 1.00 0.00 O ATOM 0 H GLU A 53 -8.404 15.639 -10.115 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.705 13.056 -11.133 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.023 15.273 -9.898 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.389 13.890 -10.768 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.048 16.172 -11.868 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.398 15.746 -12.279 1.00 0.00 H new ATOM 834 N LYS A 54 -7.125 13.707 -7.938 1.00 0.00 N ATOM 835 CA LYS A 54 -6.890 13.084 -6.640 1.00 0.00 C ATOM 836 C LYS A 54 -7.910 11.982 -6.374 1.00 0.00 C ATOM 837 O LYS A 54 -7.563 10.912 -5.876 1.00 0.00 O ATOM 838 CB LYS A 54 -6.955 14.134 -5.529 1.00 0.00 C ATOM 839 CG LYS A 54 -6.293 13.693 -4.236 1.00 0.00 C ATOM 840 CD LYS A 54 -6.872 14.424 -3.035 1.00 0.00 C ATOM 841 CE LYS A 54 -5.859 14.527 -1.905 1.00 0.00 C ATOM 842 NZ LYS A 54 -6.497 14.949 -0.626 1.00 0.00 N ATOM 0 H LYS A 54 -7.186 14.725 -7.912 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.895 12.639 -6.652 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.478 15.050 -5.878 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.999 14.375 -5.329 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.424 12.619 -4.107 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.220 13.879 -4.294 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.189 15.423 -3.334 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.760 13.900 -2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.370 13.563 -1.766 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.083 15.242 -2.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.774 15.008 0.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.942 15.881 -0.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.220 14.254 -0.353 1.00 0.00 H new ATOM 856 N GLN A 55 -9.168 12.252 -6.709 1.00 0.00 N ATOM 857 CA GLN A 55 -10.237 11.281 -6.506 1.00 0.00 C ATOM 858 C GLN A 55 -10.088 10.100 -7.458 1.00 0.00 C ATOM 859 O GLN A 55 -10.109 8.943 -7.036 1.00 0.00 O ATOM 860 CB GLN A 55 -11.601 11.945 -6.705 1.00 0.00 C ATOM 861 CG GLN A 55 -12.773 11.013 -6.448 1.00 0.00 C ATOM 862 CD GLN A 55 -12.979 10.725 -4.975 1.00 0.00 C ATOM 863 OE1 GLN A 55 -13.397 11.597 -4.212 1.00 0.00 O ATOM 864 NE2 GLN A 55 -12.686 9.497 -4.564 1.00 0.00 N ATOM 0 H GLN A 55 -9.472 13.134 -7.122 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.168 10.909 -5.484 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.678 12.805 -6.039 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.666 12.325 -7.725 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.681 11.456 -6.858 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.609 10.075 -6.978 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -12.342 8.805 -5.230 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.805 9.246 -3.583 1.00 0.00 H new ATOM 873 N ARG A 56 -9.940 10.399 -8.744 1.00 0.00 N ATOM 874 CA ARG A 56 -9.789 9.361 -9.757 1.00 0.00 C ATOM 875 C ARG A 56 -8.715 8.358 -9.352 1.00 0.00 C ATOM 876 O ARG A 56 -8.919 7.146 -9.435 1.00 0.00 O ATOM 877 CB ARG A 56 -9.436 9.986 -11.109 1.00 0.00 C ATOM 878 CG ARG A 56 -9.174 8.962 -12.202 1.00 0.00 C ATOM 879 CD ARG A 56 -8.264 9.524 -13.284 1.00 0.00 C ATOM 880 NE ARG A 56 -8.934 10.543 -14.087 1.00 0.00 N ATOM 881 CZ ARG A 56 -9.869 10.270 -14.990 1.00 0.00 C ATOM 882 NH1 ARG A 56 -10.245 9.017 -15.203 1.00 0.00 N ATOM 883 NH2 ARG A 56 -10.432 11.253 -15.682 1.00 0.00 N ATOM 0 H ARG A 56 -9.921 11.351 -9.109 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.739 8.833 -9.845 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.251 10.639 -11.422 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.552 10.613 -10.991 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.718 8.072 -11.767 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -10.120 8.651 -12.646 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.374 9.953 -12.823 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.928 8.714 -13.932 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.669 11.518 -13.947 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.816 8.259 -14.673 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.963 8.811 -15.897 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -10.147 12.219 -15.520 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.150 11.042 -16.375 1.00 0.00 H new ATOM 897 N TYR A 57 -7.569 8.869 -8.914 1.00 0.00 N ATOM 898 CA TYR A 57 -6.460 8.018 -8.500 1.00 0.00 C ATOM 899 C TYR A 57 -6.930 6.959 -7.506 1.00 0.00 C ATOM 900 O TYR A 57 -6.571 5.785 -7.616 1.00 0.00 O ATOM 901 CB TYR A 57 -5.348 8.862 -7.875 1.00 0.00 C ATOM 902 CG TYR A 57 -4.394 9.452 -8.889 1.00 0.00 C ATOM 903 CD1 TYR A 57 -3.747 8.645 -9.815 1.00 0.00 C ATOM 904 CD2 TYR A 57 -4.143 10.818 -8.921 1.00 0.00 C ATOM 905 CE1 TYR A 57 -2.874 9.181 -10.742 1.00 0.00 C ATOM 906 CE2 TYR A 57 -3.272 11.363 -9.846 1.00 0.00 C ATOM 907 CZ TYR A 57 -2.640 10.540 -10.754 1.00 0.00 C ATOM 908 OH TYR A 57 -1.773 11.077 -11.677 1.00 0.00 O ATOM 0 H TYR A 57 -7.384 9.869 -8.837 1.00 0.00 H new ATOM 0 HA TYR A 57 -6.071 7.514 -9.385 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.797 9.670 -7.298 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.785 8.245 -7.175 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.929 7.580 -9.811 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.637 11.465 -8.211 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.377 8.539 -11.454 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.088 12.427 -9.857 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.721 12.047 -11.551 1.00 0.00 H new ATOM 918 N LEU A 58 -7.734 7.381 -6.537 1.00 0.00 N ATOM 919 CA LEU A 58 -8.255 6.471 -5.524 1.00 0.00 C ATOM 920 C LEU A 58 -9.006 5.311 -6.168 1.00 0.00 C ATOM 921 O LEU A 58 -8.698 4.145 -5.921 1.00 0.00 O ATOM 922 CB LEU A 58 -9.177 7.221 -4.562 1.00 0.00 C ATOM 923 CG LEU A 58 -8.614 8.506 -3.956 1.00 0.00 C ATOM 924 CD1 LEU A 58 -9.693 9.251 -3.186 1.00 0.00 C ATOM 925 CD2 LEU A 58 -7.430 8.194 -3.051 1.00 0.00 C ATOM 0 H LEU A 58 -8.039 8.348 -6.431 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.411 6.066 -4.966 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.098 7.466 -5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.446 6.547 -3.749 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.268 9.146 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.273 10.163 -2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.510 9.507 -3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.070 8.618 -2.383 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.041 9.120 -2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.752 7.534 -2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.648 7.704 -3.631 1.00 0.00 H new ATOM 937 N ASP A 59 -9.993 5.638 -6.996 1.00 0.00 N ATOM 938 CA ASP A 59 -10.786 4.624 -7.679 1.00 0.00 C ATOM 939 C ASP A 59 -9.898 3.712 -8.517 1.00 0.00 C ATOM 940 O ASP A 59 -9.971 2.489 -8.409 1.00 0.00 O ATOM 941 CB ASP A 59 -11.843 5.285 -8.566 1.00 0.00 C ATOM 942 CG ASP A 59 -12.978 4.343 -8.915 1.00 0.00 C ATOM 943 OD1 ASP A 59 -12.740 3.382 -9.676 1.00 0.00 O ATOM 944 OD2 ASP A 59 -14.105 4.566 -8.426 1.00 0.00 O ATOM 0 H ASP A 59 -10.262 6.598 -7.210 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.285 4.018 -6.923 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.245 6.160 -8.056 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.373 5.639 -9.484 1.00 0.00 H new ATOM 949 N GLU A 60 -9.061 4.316 -9.355 1.00 0.00 N ATOM 950 CA GLU A 60 -8.159 3.557 -10.214 1.00 0.00 C ATOM 951 C GLU A 60 -7.441 2.468 -9.421 1.00 0.00 C ATOM 952 O GLU A 60 -7.393 1.312 -9.839 1.00 0.00 O ATOM 953 CB GLU A 60 -7.135 4.489 -10.866 1.00 0.00 C ATOM 954 CG GLU A 60 -7.740 5.441 -11.883 1.00 0.00 C ATOM 955 CD GLU A 60 -8.611 4.732 -12.901 1.00 0.00 C ATOM 956 OE1 GLU A 60 -8.265 3.598 -13.292 1.00 0.00 O ATOM 957 OE2 GLU A 60 -9.641 5.312 -13.307 1.00 0.00 O ATOM 0 H GLU A 60 -8.989 5.328 -9.457 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.754 3.082 -10.994 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.638 5.069 -10.089 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.368 3.888 -11.355 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.334 6.192 -11.363 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -6.940 5.970 -12.401 1.00 0.00 H new ATOM 964 N ALA A 61 -6.885 2.848 -8.275 1.00 0.00 N ATOM 965 CA ALA A 61 -6.171 1.905 -7.424 1.00 0.00 C ATOM 966 C ALA A 61 -7.105 0.815 -6.908 1.00 0.00 C ATOM 967 O ALA A 61 -6.839 -0.374 -7.079 1.00 0.00 O ATOM 968 CB ALA A 61 -5.516 2.636 -6.261 1.00 0.00 C ATOM 0 H ALA A 61 -6.916 3.802 -7.915 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.395 1.428 -8.023 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -4.986 1.920 -5.633 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.811 3.373 -6.645 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.281 3.140 -5.670 1.00 0.00 H new ATOM 974 N GLU A 62 -8.198 1.230 -6.275 1.00 0.00 N ATOM 975 CA GLU A 62 -9.170 0.288 -5.733 1.00 0.00 C ATOM 976 C GLU A 62 -9.382 -0.884 -6.688 1.00 0.00 C ATOM 977 O GLU A 62 -9.282 -2.046 -6.295 1.00 0.00 O ATOM 978 CB GLU A 62 -10.503 0.991 -5.467 1.00 0.00 C ATOM 979 CG GLU A 62 -10.469 1.923 -4.268 1.00 0.00 C ATOM 980 CD GLU A 62 -10.674 1.192 -2.956 1.00 0.00 C ATOM 981 OE1 GLU A 62 -10.366 -0.016 -2.894 1.00 0.00 O ATOM 982 OE2 GLU A 62 -11.144 1.829 -1.989 1.00 0.00 O ATOM 0 H GLU A 62 -8.432 2.211 -6.125 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.778 -0.098 -4.792 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.787 1.561 -6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.276 0.239 -5.310 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.512 2.443 -4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.242 2.683 -4.381 1.00 0.00 H new ATOM 989 N LYS A 63 -9.677 -0.570 -7.944 1.00 0.00 N ATOM 990 CA LYS A 63 -9.903 -1.594 -8.957 1.00 0.00 C ATOM 991 C LYS A 63 -8.977 -2.786 -8.741 1.00 0.00 C ATOM 992 O LYS A 63 -9.421 -3.934 -8.735 1.00 0.00 O ATOM 993 CB LYS A 63 -9.687 -1.014 -10.357 1.00 0.00 C ATOM 994 CG LYS A 63 -10.860 -0.192 -10.863 1.00 0.00 C ATOM 995 CD LYS A 63 -10.759 0.061 -12.358 1.00 0.00 C ATOM 996 CE LYS A 63 -9.688 1.091 -12.678 1.00 0.00 C ATOM 997 NZ LYS A 63 -9.290 1.052 -14.112 1.00 0.00 N ATOM 0 H LYS A 63 -9.765 0.387 -8.286 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.934 -1.936 -8.868 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.794 -0.390 -10.349 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.499 -1.830 -11.054 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.792 -0.713 -10.643 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.894 0.760 -10.333 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.532 -0.873 -12.872 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.722 0.406 -12.735 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.057 2.087 -12.431 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.813 0.911 -12.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.775 1.923 -14.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.677 0.229 -14.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.140 0.977 -14.706 1.00 0.00 H new ATOM 1011 N GLU A 64 -7.690 -2.506 -8.563 1.00 0.00 N ATOM 1012 CA GLU A 64 -6.703 -3.557 -8.346 1.00 0.00 C ATOM 1013 C GLU A 64 -7.050 -4.383 -7.111 1.00 0.00 C ATOM 1014 O GLU A 64 -7.073 -5.613 -7.158 1.00 0.00 O ATOM 1015 CB GLU A 64 -5.306 -2.951 -8.192 1.00 0.00 C ATOM 1016 CG GLU A 64 -4.573 -2.769 -9.511 1.00 0.00 C ATOM 1017 CD GLU A 64 -3.830 -4.018 -9.943 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -3.478 -4.833 -9.066 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -3.599 -4.178 -11.160 1.00 0.00 O ATOM 0 H GLU A 64 -7.307 -1.561 -8.565 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.713 -4.214 -9.216 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.391 -1.984 -7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.711 -3.591 -7.541 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.289 -2.491 -10.285 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.866 -1.944 -9.419 1.00 0.00 H new ATOM 1026 N LYS A 65 -7.319 -3.698 -6.005 1.00 0.00 N ATOM 1027 CA LYS A 65 -7.666 -4.365 -4.756 1.00 0.00 C ATOM 1028 C LYS A 65 -8.637 -5.514 -5.004 1.00 0.00 C ATOM 1029 O LYS A 65 -8.602 -6.530 -4.310 1.00 0.00 O ATOM 1030 CB LYS A 65 -8.282 -3.366 -3.773 1.00 0.00 C ATOM 1031 CG LYS A 65 -8.189 -3.803 -2.322 1.00 0.00 C ATOM 1032 CD LYS A 65 -8.728 -2.738 -1.382 1.00 0.00 C ATOM 1033 CE LYS A 65 -10.219 -2.914 -1.137 1.00 0.00 C ATOM 1034 NZ LYS A 65 -10.632 -2.357 0.181 1.00 0.00 N ATOM 0 H LYS A 65 -7.303 -2.680 -5.948 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.751 -4.772 -4.325 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.783 -2.403 -3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.330 -3.214 -4.031 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.748 -4.728 -2.183 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.150 -4.018 -2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.194 -2.785 -0.433 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.542 -1.750 -1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.779 -2.421 -1.932 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.472 -3.973 -1.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.654 -2.496 0.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -10.116 -2.845 0.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.414 -1.341 0.212 1.00 0.00 H new ATOM 1048 N GLN A 66 -9.502 -5.348 -6.000 1.00 0.00 N ATOM 1049 CA GLN A 66 -10.482 -6.372 -6.340 1.00 0.00 C ATOM 1050 C GLN A 66 -9.799 -7.614 -6.903 1.00 0.00 C ATOM 1051 O GLN A 66 -9.821 -8.678 -6.286 1.00 0.00 O ATOM 1052 CB GLN A 66 -11.491 -5.827 -7.353 1.00 0.00 C ATOM 1053 CG GLN A 66 -12.259 -4.616 -6.854 1.00 0.00 C ATOM 1054 CD GLN A 66 -13.489 -4.994 -6.053 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -14.495 -5.437 -6.609 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -13.416 -4.821 -4.738 1.00 0.00 N ATOM 0 H GLN A 66 -9.544 -4.514 -6.585 1.00 0.00 H new ATOM 0 HA GLN A 66 -11.009 -6.651 -5.428 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -10.965 -5.561 -8.270 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -12.199 -6.616 -7.609 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -11.602 -4.003 -6.236 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -12.558 -4.004 -7.705 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.563 -4.451 -4.319 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -14.213 -5.058 -4.147 1.00 0.00 H new ATOM 1065 N GLN A 67 -9.193 -7.469 -8.076 1.00 0.00 N ATOM 1066 CA GLN A 67 -8.504 -8.581 -8.721 1.00 0.00 C ATOM 1067 C GLN A 67 -7.478 -9.206 -7.781 1.00 0.00 C ATOM 1068 O GLN A 67 -7.253 -10.415 -7.808 1.00 0.00 O ATOM 1069 CB GLN A 67 -7.815 -8.106 -10.003 1.00 0.00 C ATOM 1070 CG GLN A 67 -6.692 -7.112 -9.757 1.00 0.00 C ATOM 1071 CD GLN A 67 -5.957 -6.736 -11.029 1.00 0.00 C ATOM 1072 OE1 GLN A 67 -4.973 -7.374 -11.404 1.00 0.00 O ATOM 1073 NE2 GLN A 67 -6.433 -5.695 -11.702 1.00 0.00 N ATOM 0 H GLN A 67 -9.165 -6.594 -8.599 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.247 -9.338 -8.973 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -7.414 -8.971 -10.532 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -8.558 -7.648 -10.657 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.102 -6.212 -9.299 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.985 -7.537 -9.045 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.251 -5.194 -11.355 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.980 -5.396 -12.566 1.00 0.00 H new ATOM 1082 N TYR A 68 -6.860 -8.373 -6.951 1.00 0.00 N ATOM 1083 CA TYR A 68 -5.856 -8.844 -6.004 1.00 0.00 C ATOM 1084 C TYR A 68 -6.504 -9.635 -4.873 1.00 0.00 C ATOM 1085 O TYR A 68 -5.962 -10.643 -4.414 1.00 0.00 O ATOM 1086 CB TYR A 68 -5.072 -7.662 -5.431 1.00 0.00 C ATOM 1087 CG TYR A 68 -4.542 -7.907 -4.036 1.00 0.00 C ATOM 1088 CD1 TYR A 68 -5.339 -7.688 -2.920 1.00 0.00 C ATOM 1089 CD2 TYR A 68 -3.243 -8.359 -3.834 1.00 0.00 C ATOM 1090 CE1 TYR A 68 -4.859 -7.909 -1.644 1.00 0.00 C ATOM 1091 CE2 TYR A 68 -2.755 -8.585 -2.563 1.00 0.00 C ATOM 1092 CZ TYR A 68 -3.566 -8.358 -1.470 1.00 0.00 C ATOM 1093 OH TYR A 68 -3.085 -8.581 -0.201 1.00 0.00 O ATOM 0 H TYR A 68 -7.036 -7.369 -6.915 1.00 0.00 H new ATOM 0 HA TYR A 68 -5.170 -9.502 -6.537 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.237 -7.435 -6.094 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -5.716 -6.782 -5.417 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.352 -7.339 -3.052 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.604 -8.536 -4.687 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.492 -7.731 -0.787 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.744 -8.938 -2.425 1.00 0.00 H new ATOM 0 HH TYR A 68 -2.158 -8.896 -0.253 1.00 0.00 H new ATOM 1103 N LEU A 69 -7.667 -9.175 -4.428 1.00 0.00 N ATOM 1104 CA LEU A 69 -8.391 -9.840 -3.350 1.00 0.00 C ATOM 1105 C LEU A 69 -8.605 -11.317 -3.666 1.00 0.00 C ATOM 1106 O LEU A 69 -8.129 -12.192 -2.944 1.00 0.00 O ATOM 1107 CB LEU A 69 -9.741 -9.157 -3.118 1.00 0.00 C ATOM 1108 CG LEU A 69 -9.742 -7.992 -2.128 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -10.852 -7.007 -2.465 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -9.893 -8.503 -0.703 1.00 0.00 C ATOM 0 H LEU A 69 -8.130 -8.344 -4.797 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.791 -9.764 -2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.111 -8.793 -4.077 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.449 -9.907 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.787 -7.472 -2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.838 -6.184 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.699 -6.616 -3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.816 -7.514 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.892 -7.660 -0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.833 -9.047 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.063 -9.168 -0.465 1.00 0.00 H new ATOM 1122 N LYS A 70 -9.320 -11.587 -4.753 1.00 0.00 N ATOM 1123 CA LYS A 70 -9.593 -12.956 -5.169 1.00 0.00 C ATOM 1124 C LYS A 70 -8.296 -13.737 -5.357 1.00 0.00 C ATOM 1125 O LYS A 70 -8.246 -14.943 -5.118 1.00 0.00 O ATOM 1126 CB LYS A 70 -10.400 -12.966 -6.470 1.00 0.00 C ATOM 1127 CG LYS A 70 -9.639 -12.410 -7.661 1.00 0.00 C ATOM 1128 CD LYS A 70 -10.143 -12.998 -8.968 1.00 0.00 C ATOM 1129 CE LYS A 70 -9.042 -13.053 -10.017 1.00 0.00 C ATOM 1130 NZ LYS A 70 -8.937 -11.777 -10.778 1.00 0.00 N ATOM 0 H LYS A 70 -9.721 -10.874 -5.362 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.176 -13.437 -4.384 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.706 -13.989 -6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.311 -12.384 -6.327 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.742 -11.325 -7.685 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.577 -12.627 -7.549 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.529 -14.002 -8.791 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.973 -12.398 -9.342 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.089 -13.266 -9.533 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.239 -13.873 -10.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -8.898 -11.983 -11.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.767 -11.183 -10.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -8.073 -11.273 -10.493 1.00 0.00 H new ATOM 1144 N GLU A 71 -7.248 -13.040 -5.788 1.00 0.00 N ATOM 1145 CA GLU A 71 -5.951 -13.670 -6.007 1.00 0.00 C ATOM 1146 C GLU A 71 -5.342 -14.133 -4.688 1.00 0.00 C ATOM 1147 O GLU A 71 -4.308 -14.803 -4.669 1.00 0.00 O ATOM 1148 CB GLU A 71 -5.000 -12.697 -6.707 1.00 0.00 C ATOM 1149 CG GLU A 71 -5.272 -12.542 -8.194 1.00 0.00 C ATOM 1150 CD GLU A 71 -4.486 -11.405 -8.816 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -3.342 -11.644 -9.255 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -5.016 -10.275 -8.865 1.00 0.00 O ATOM 0 H GLU A 71 -7.272 -12.041 -5.992 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.101 -14.542 -6.643 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.076 -11.721 -6.229 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -3.975 -13.041 -6.568 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.023 -13.473 -8.704 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.337 -12.369 -8.349 1.00 0.00 H new ATOM 1159 N LEU A 72 -5.989 -13.773 -3.584 1.00 0.00 N ATOM 1160 CA LEU A 72 -5.511 -14.152 -2.260 1.00 0.00 C ATOM 1161 C LEU A 72 -6.240 -15.392 -1.751 1.00 0.00 C ATOM 1162 O LEU A 72 -5.615 -16.344 -1.284 1.00 0.00 O ATOM 1163 CB LEU A 72 -5.703 -12.996 -1.277 1.00 0.00 C ATOM 1164 CG LEU A 72 -5.121 -13.200 0.122 1.00 0.00 C ATOM 1165 CD1 LEU A 72 -3.651 -13.577 0.040 1.00 0.00 C ATOM 1166 CD2 LEU A 72 -5.306 -11.946 0.965 1.00 0.00 C ATOM 0 H LEU A 72 -6.846 -13.219 -3.581 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.449 -14.384 -2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.255 -12.101 -1.708 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.771 -12.802 -1.179 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.658 -14.019 0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.255 -13.718 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.544 -14.503 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.099 -12.781 -0.459 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.886 -12.109 1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.796 -11.109 0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.369 -11.721 1.054 1.00 0.00 H new ATOM 1178 N TRP A 73 -7.565 -15.373 -1.847 1.00 0.00 N ATOM 1179 CA TRP A 73 -8.379 -16.498 -1.400 1.00 0.00 C ATOM 1180 C TRP A 73 -8.768 -17.390 -2.573 1.00 0.00 C ATOM 1181 O TRP A 73 -8.522 -18.596 -2.555 1.00 0.00 O ATOM 1182 CB TRP A 73 -9.635 -15.992 -0.689 1.00 0.00 C ATOM 1183 CG TRP A 73 -10.324 -14.879 -1.418 1.00 0.00 C ATOM 1184 CD1 TRP A 73 -9.897 -13.586 -1.532 1.00 0.00 C ATOM 1185 CD2 TRP A 73 -11.561 -14.958 -2.134 1.00 0.00 C ATOM 1186 NE1 TRP A 73 -10.794 -12.858 -2.275 1.00 0.00 N ATOM 1187 CE2 TRP A 73 -11.823 -13.677 -2.657 1.00 0.00 C ATOM 1188 CE3 TRP A 73 -12.471 -15.987 -2.387 1.00 0.00 C ATOM 1189 CZ2 TRP A 73 -12.958 -13.400 -3.415 1.00 0.00 C ATOM 1190 CZ3 TRP A 73 -13.597 -15.711 -3.139 1.00 0.00 C ATOM 1191 CH2 TRP A 73 -13.832 -14.427 -3.647 1.00 0.00 C ATOM 0 H TRP A 73 -8.098 -14.592 -2.230 1.00 0.00 H new ATOM 0 HA TRP A 73 -7.786 -17.089 -0.701 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -10.332 -16.821 -0.564 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -9.365 -15.650 0.310 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -8.988 -13.194 -1.101 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -10.708 -11.868 -2.505 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -12.298 -16.981 -2.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -13.142 -12.410 -3.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -14.308 -16.499 -3.338 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -14.720 -14.244 -4.233 1.00 0.00 H new ATOM 1202 N ALA A 74 -9.376 -16.790 -3.590 1.00 0.00 N ATOM 1203 CA ALA A 74 -9.796 -17.532 -4.774 1.00 0.00 C ATOM 1204 C ALA A 74 -8.715 -18.511 -5.219 1.00 0.00 C ATOM 1205 O ALA A 74 -9.007 -19.520 -5.863 1.00 0.00 O ATOM 1206 CB ALA A 74 -10.140 -16.572 -5.902 1.00 0.00 C ATOM 0 H ALA A 74 -9.589 -15.793 -3.619 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.686 -18.107 -4.517 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.452 -17.138 -6.779 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.951 -15.916 -5.587 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.264 -15.973 -6.150 1.00 0.00 H new ATOM 1212 N TYR A 75 -7.470 -18.208 -4.876 1.00 0.00 N ATOM 1213 CA TYR A 75 -6.346 -19.060 -5.244 1.00 0.00 C ATOM 1214 C TYR A 75 -6.108 -20.134 -4.187 1.00 0.00 C ATOM 1215 O TYR A 75 -5.999 -21.319 -4.504 1.00 0.00 O ATOM 1216 CB TYR A 75 -5.081 -18.221 -5.427 1.00 0.00 C ATOM 1217 CG TYR A 75 -3.804 -18.972 -5.119 1.00 0.00 C ATOM 1218 CD1 TYR A 75 -3.426 -20.076 -5.875 1.00 0.00 C ATOM 1219 CD2 TYR A 75 -2.978 -18.578 -4.075 1.00 0.00 C ATOM 1220 CE1 TYR A 75 -2.262 -20.766 -5.596 1.00 0.00 C ATOM 1221 CE2 TYR A 75 -1.811 -19.261 -3.791 1.00 0.00 C ATOM 1222 CZ TYR A 75 -1.458 -20.355 -4.554 1.00 0.00 C ATOM 1223 OH TYR A 75 -0.297 -21.039 -4.276 1.00 0.00 O ATOM 0 H TYR A 75 -7.212 -17.378 -4.343 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.588 -19.550 -6.187 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.041 -17.859 -6.455 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -5.141 -17.344 -4.783 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.052 -20.399 -6.693 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.252 -17.723 -3.475 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -1.983 -21.623 -6.191 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -1.179 -18.940 -2.976 1.00 0.00 H new ATOM 0 HH TYR A 75 0.154 -20.621 -3.513 1.00 0.00 H new ATOM 1233 N GLN A 76 -6.028 -19.711 -2.929 1.00 0.00 N ATOM 1234 CA GLN A 76 -5.802 -20.636 -1.825 1.00 0.00 C ATOM 1235 C GLN A 76 -6.756 -21.823 -1.907 1.00 0.00 C ATOM 1236 O GLN A 76 -6.389 -22.950 -1.572 1.00 0.00 O ATOM 1237 CB GLN A 76 -5.977 -19.917 -0.486 1.00 0.00 C ATOM 1238 CG GLN A 76 -4.764 -19.104 -0.069 1.00 0.00 C ATOM 1239 CD GLN A 76 -4.905 -18.515 1.320 1.00 0.00 C ATOM 1240 OE1 GLN A 76 -5.160 -19.232 2.288 1.00 0.00 O ATOM 1241 NE2 GLN A 76 -4.739 -17.201 1.427 1.00 0.00 N ATOM 0 H GLN A 76 -6.116 -18.734 -2.649 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.780 -21.008 -1.898 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.842 -19.257 -0.548 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -6.193 -20.654 0.287 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -3.878 -19.738 -0.102 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -4.607 -18.299 -0.787 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -4.529 -16.644 0.599 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -4.822 -16.749 2.338 1.00 0.00 H new ATOM 1250 N GLN A 77 -7.981 -21.564 -2.353 1.00 0.00 N ATOM 1251 CA GLN A 77 -8.987 -22.611 -2.478 1.00 0.00 C ATOM 1252 C GLN A 77 -8.448 -23.791 -3.280 1.00 0.00 C ATOM 1253 O GLN A 77 -8.638 -24.948 -2.906 1.00 0.00 O ATOM 1254 CB GLN A 77 -10.249 -22.060 -3.143 1.00 0.00 C ATOM 1255 CG GLN A 77 -10.888 -20.912 -2.379 1.00 0.00 C ATOM 1256 CD GLN A 77 -12.228 -20.501 -2.956 1.00 0.00 C ATOM 1257 OE1 GLN A 77 -12.307 -20.003 -4.079 1.00 0.00 O ATOM 1258 NE2 GLN A 77 -13.292 -20.708 -2.189 1.00 0.00 N ATOM 0 H GLN A 77 -8.301 -20.637 -2.634 1.00 0.00 H new ATOM 0 HA GLN A 77 -9.237 -22.960 -1.476 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -10.001 -21.722 -4.149 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.976 -22.865 -3.247 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.019 -21.203 -1.337 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -10.215 -20.055 -2.388 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -13.181 -21.124 -1.264 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -14.220 -20.451 -2.525 1.00 0.00 H new ATOM 1267 N SER A 78 -7.776 -23.489 -4.387 1.00 0.00 N ATOM 1268 CA SER A 78 -7.214 -24.525 -5.246 1.00 0.00 C ATOM 1269 C SER A 78 -6.630 -25.663 -4.414 1.00 0.00 C ATOM 1270 O SER A 78 -6.023 -25.432 -3.368 1.00 0.00 O ATOM 1271 CB SER A 78 -6.132 -23.933 -6.152 1.00 0.00 C ATOM 1272 OG SER A 78 -5.707 -24.877 -7.121 1.00 0.00 O ATOM 0 H SER A 78 -7.608 -22.536 -4.710 1.00 0.00 H new ATOM 0 HA SER A 78 -8.017 -24.926 -5.864 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.517 -23.043 -6.650 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.281 -23.617 -5.549 1.00 0.00 H new ATOM 0 HG SER A 78 -5.017 -24.475 -7.689 1.00 0.00 H new ATOM 1278 N GLU A 79 -6.819 -26.891 -4.886 1.00 0.00 N ATOM 1279 CA GLU A 79 -6.312 -28.064 -4.185 1.00 0.00 C ATOM 1280 C GLU A 79 -4.794 -27.996 -4.036 1.00 0.00 C ATOM 1281 O GLU A 79 -4.257 -28.204 -2.949 1.00 0.00 O ATOM 1282 CB GLU A 79 -6.705 -29.341 -4.931 1.00 0.00 C ATOM 1283 CG GLU A 79 -6.137 -29.423 -6.338 1.00 0.00 C ATOM 1284 CD GLU A 79 -6.627 -30.643 -7.095 1.00 0.00 C ATOM 1285 OE1 GLU A 79 -7.692 -30.551 -7.740 1.00 0.00 O ATOM 1286 OE2 GLU A 79 -5.945 -31.688 -7.042 1.00 0.00 O ATOM 0 H GLU A 79 -7.319 -27.099 -5.750 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.757 -28.081 -3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.365 -30.205 -4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -7.792 -29.401 -4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.411 -28.524 -6.889 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.048 -29.445 -6.286 1.00 0.00 H new ATOM 1293 N ALA A 80 -4.111 -27.704 -5.137 1.00 0.00 N ATOM 1294 CA ALA A 80 -2.656 -27.607 -5.130 1.00 0.00 C ATOM 1295 C ALA A 80 -2.162 -26.857 -3.897 1.00 0.00 C ATOM 1296 O ALA A 80 -1.136 -27.209 -3.315 1.00 0.00 O ATOM 1297 CB ALA A 80 -2.166 -26.921 -6.397 1.00 0.00 C ATOM 0 H ALA A 80 -4.541 -27.530 -6.045 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.250 -28.618 -5.096 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.078 -26.856 -6.378 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.480 -27.497 -7.267 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -2.589 -25.918 -6.454 1.00 0.00 H new ATOM 1303 N TYR A 81 -2.898 -25.824 -3.504 1.00 0.00 N ATOM 1304 CA TYR A 81 -2.533 -25.023 -2.343 1.00 0.00 C ATOM 1305 C TYR A 81 -2.383 -25.899 -1.103 1.00 0.00 C ATOM 1306 O TYR A 81 -1.386 -25.815 -0.384 1.00 0.00 O ATOM 1307 CB TYR A 81 -3.585 -23.941 -2.091 1.00 0.00 C ATOM 1308 CG TYR A 81 -3.280 -23.066 -0.896 1.00 0.00 C ATOM 1309 CD1 TYR A 81 -2.121 -22.303 -0.846 1.00 0.00 C ATOM 1310 CD2 TYR A 81 -4.153 -23.003 0.183 1.00 0.00 C ATOM 1311 CE1 TYR A 81 -1.839 -21.503 0.244 1.00 0.00 C ATOM 1312 CE2 TYR A 81 -3.879 -22.205 1.277 1.00 0.00 C ATOM 1313 CZ TYR A 81 -2.721 -21.456 1.303 1.00 0.00 C ATOM 1314 OH TYR A 81 -2.445 -20.660 2.390 1.00 0.00 O ATOM 0 H TYR A 81 -3.752 -25.522 -3.973 1.00 0.00 H new ATOM 0 HA TYR A 81 -1.574 -24.547 -2.549 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -3.668 -23.313 -2.978 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -4.555 -24.416 -1.945 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -1.428 -22.336 -1.674 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -5.061 -23.588 0.166 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.932 -20.917 0.267 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -4.568 -22.168 2.108 1.00 0.00 H new ATOM 0 HH TYR A 81 -3.233 -20.120 2.609 1.00 0.00 H new ATOM 1324 N LYS A 82 -3.380 -26.742 -0.857 1.00 0.00 N ATOM 1325 CA LYS A 82 -3.361 -27.637 0.294 1.00 0.00 C ATOM 1326 C LYS A 82 -2.360 -28.768 0.087 1.00 0.00 C ATOM 1327 O LYS A 82 -1.369 -28.875 0.812 1.00 0.00 O ATOM 1328 CB LYS A 82 -4.757 -28.215 0.540 1.00 0.00 C ATOM 1329 CG LYS A 82 -5.705 -27.245 1.222 1.00 0.00 C ATOM 1330 CD LYS A 82 -7.151 -27.696 1.093 1.00 0.00 C ATOM 1331 CE LYS A 82 -8.118 -26.570 1.429 1.00 0.00 C ATOM 1332 NZ LYS A 82 -9.511 -26.893 1.013 1.00 0.00 N ATOM 0 H LYS A 82 -4.213 -26.824 -1.440 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.055 -27.060 1.166 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.188 -28.521 -0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.667 -29.113 1.152 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -5.442 -27.159 2.276 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -5.591 -26.254 0.783 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -7.335 -28.044 0.077 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -7.330 -28.541 1.757 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -8.094 -26.379 2.502 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -7.795 -25.654 0.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.139 -26.101 1.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -9.539 -27.050 -0.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.829 -27.753 1.504 1.00 0.00 H new ATOM 1346 N VAL A 83 -2.622 -29.611 -0.906 1.00 0.00 N ATOM 1347 CA VAL A 83 -1.742 -30.733 -1.211 1.00 0.00 C ATOM 1348 C VAL A 83 -0.287 -30.284 -1.287 1.00 0.00 C ATOM 1349 O VAL A 83 0.038 -29.310 -1.966 1.00 0.00 O ATOM 1350 CB VAL A 83 -2.130 -31.407 -2.540 1.00 0.00 C ATOM 1351 CG1 VAL A 83 -1.743 -30.527 -3.718 1.00 0.00 C ATOM 1352 CG2 VAL A 83 -1.481 -32.777 -2.652 1.00 0.00 C ATOM 0 H VAL A 83 -3.438 -29.538 -1.514 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.856 -31.454 -0.401 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.212 -31.541 -2.557 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.025 -31.020 -4.648 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.260 -29.570 -3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.666 -30.359 -3.708 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.766 -33.239 -3.597 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.397 -32.670 -2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.814 -33.406 -1.826 1.00 0.00 H new ATOM 1362 N CYS A 84 0.585 -31.002 -0.587 1.00 0.00 N ATOM 1363 CA CYS A 84 2.007 -30.679 -0.575 1.00 0.00 C ATOM 1364 C CYS A 84 2.809 -31.783 0.105 1.00 0.00 C ATOM 1365 O CYS A 84 2.254 -32.792 0.541 1.00 0.00 O ATOM 1366 CB CYS A 84 2.242 -29.346 0.138 1.00 0.00 C ATOM 1367 SG CYS A 84 1.637 -29.304 1.841 1.00 0.00 S ATOM 0 H CYS A 84 0.332 -31.812 -0.021 1.00 0.00 H new ATOM 0 HA CYS A 84 2.345 -30.594 -1.608 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.310 -29.129 0.138 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.756 -28.552 -0.429 1.00 0.00 H new ATOM 0 HG CYS A 84 0.349 -29.128 1.840 1.00 0.00 H new ATOM 1373 N THR A 85 4.121 -31.585 0.193 1.00 0.00 N ATOM 1374 CA THR A 85 5.001 -32.564 0.818 1.00 0.00 C ATOM 1375 C THR A 85 4.399 -33.098 2.112 1.00 0.00 C ATOM 1376 O THR A 85 3.721 -32.372 2.837 1.00 0.00 O ATOM 1377 CB THR A 85 6.387 -31.962 1.119 1.00 0.00 C ATOM 1378 OG1 THR A 85 7.304 -33.000 1.482 1.00 0.00 O ATOM 1379 CG2 THR A 85 6.300 -30.940 2.243 1.00 0.00 C ATOM 0 H THR A 85 4.597 -30.755 -0.161 1.00 0.00 H new ATOM 0 HA THR A 85 5.115 -33.384 0.109 1.00 0.00 H new ATOM 0 HB THR A 85 6.744 -31.461 0.219 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.183 -32.609 1.670 1.00 0.00 H new ATOM 0 HG21 THR A 85 7.290 -30.528 2.438 1.00 0.00 H new ATOM 0 HG22 THR A 85 5.624 -30.136 1.952 1.00 0.00 H new ATOM 0 HG23 THR A 85 5.923 -31.422 3.145 1.00 0.00 H new ATOM 1387 N GLU A 86 4.654 -34.371 2.396 1.00 0.00 N ATOM 1388 CA GLU A 86 4.135 -35.001 3.606 1.00 0.00 C ATOM 1389 C GLU A 86 2.773 -34.423 3.979 1.00 0.00 C ATOM 1390 O GLU A 86 2.558 -34.000 5.114 1.00 0.00 O ATOM 1391 CB GLU A 86 5.116 -34.816 4.764 1.00 0.00 C ATOM 1392 CG GLU A 86 5.598 -33.385 4.931 1.00 0.00 C ATOM 1393 CD GLU A 86 4.559 -32.491 5.581 1.00 0.00 C ATOM 1394 OE1 GLU A 86 4.082 -32.839 6.681 1.00 0.00 O ATOM 1395 OE2 GLU A 86 4.225 -31.443 4.990 1.00 0.00 O ATOM 0 H GLU A 86 5.215 -34.986 1.807 1.00 0.00 H new ATOM 0 HA GLU A 86 4.015 -36.066 3.408 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.638 -35.140 5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.978 -35.465 4.606 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.505 -33.379 5.535 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.862 -32.978 3.955 1.00 0.00 H new ATOM 1402 N SER A 87 1.859 -34.409 3.014 1.00 0.00 N ATOM 1403 CA SER A 87 0.518 -33.880 3.240 1.00 0.00 C ATOM 1404 C SER A 87 0.048 -34.180 4.659 1.00 0.00 C ATOM 1405 O SER A 87 0.423 -35.192 5.250 1.00 0.00 O ATOM 1406 CB SER A 87 -0.464 -34.473 2.229 1.00 0.00 C ATOM 1407 OG SER A 87 -0.063 -34.185 0.900 1.00 0.00 O ATOM 0 H SER A 87 2.022 -34.757 2.069 1.00 0.00 H new ATOM 0 HA SER A 87 0.554 -32.798 3.109 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.526 -35.552 2.368 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.461 -34.071 2.407 1.00 0.00 H new ATOM 0 HG SER A 87 0.753 -33.642 0.915 1.00 0.00 H new ATOM 1413 N GLY A 88 -0.780 -33.291 5.203 1.00 0.00 N ATOM 1414 CA GLY A 88 -1.290 -33.478 6.549 1.00 0.00 C ATOM 1415 C GLY A 88 -2.496 -34.396 6.589 1.00 0.00 C ATOM 1416 O GLY A 88 -3.356 -34.366 5.709 1.00 0.00 O ATOM 0 H GLY A 88 -1.106 -32.445 4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -0.502 -33.891 7.179 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.560 -32.509 6.970 1.00 0.00 H new ATOM 1420 N PRO A 89 -2.569 -35.237 7.632 1.00 0.00 N ATOM 1421 CA PRO A 89 -3.674 -36.184 7.809 1.00 0.00 C ATOM 1422 C PRO A 89 -4.986 -35.486 8.153 1.00 0.00 C ATOM 1423 O PRO A 89 -5.235 -35.149 9.310 1.00 0.00 O ATOM 1424 CB PRO A 89 -3.210 -37.057 8.977 1.00 0.00 C ATOM 1425 CG PRO A 89 -2.261 -36.197 9.739 1.00 0.00 C ATOM 1426 CD PRO A 89 -1.580 -35.328 8.719 1.00 0.00 C ATOM 0 HA PRO A 89 -3.881 -36.744 6.897 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -4.050 -37.366 9.598 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -2.724 -37.966 8.623 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -2.788 -35.593 10.477 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.536 -36.803 10.283 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.338 -34.346 9.125 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.645 -35.770 8.375 1.00 0.00 H new ATOM 1434 N SER A 90 -5.821 -35.275 7.142 1.00 0.00 N ATOM 1435 CA SER A 90 -7.107 -34.615 7.337 1.00 0.00 C ATOM 1436 C SER A 90 -8.238 -35.435 6.724 1.00 0.00 C ATOM 1437 O SER A 90 -8.113 -35.953 5.615 1.00 0.00 O ATOM 1438 CB SER A 90 -7.084 -33.215 6.720 1.00 0.00 C ATOM 1439 OG SER A 90 -6.228 -32.351 7.447 1.00 0.00 O ATOM 0 H SER A 90 -5.631 -35.551 6.179 1.00 0.00 H new ATOM 0 HA SER A 90 -7.284 -34.529 8.409 1.00 0.00 H new ATOM 0 HB2 SER A 90 -6.750 -33.276 5.684 1.00 0.00 H new ATOM 0 HB3 SER A 90 -8.093 -32.804 6.705 1.00 0.00 H new ATOM 0 HG SER A 90 -6.230 -31.463 7.032 1.00 0.00 H new ATOM 1445 N SER A 91 -9.342 -35.548 7.455 1.00 0.00 N ATOM 1446 CA SER A 91 -10.494 -36.308 6.987 1.00 0.00 C ATOM 1447 C SER A 91 -11.691 -36.106 7.912 1.00 0.00 C ATOM 1448 O SER A 91 -11.547 -35.631 9.037 1.00 0.00 O ATOM 1449 CB SER A 91 -10.150 -37.795 6.898 1.00 0.00 C ATOM 1450 OG SER A 91 -9.971 -38.354 8.188 1.00 0.00 O ATOM 0 H SER A 91 -9.463 -35.123 8.374 1.00 0.00 H new ATOM 0 HA SER A 91 -10.758 -35.944 5.994 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.946 -38.325 6.375 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.241 -37.927 6.311 1.00 0.00 H new ATOM 0 HG SER A 91 -9.754 -39.306 8.105 1.00 0.00 H new ATOM 1456 N GLY A 92 -12.874 -36.470 7.427 1.00 0.00 N ATOM 1457 CA GLY A 92 -14.080 -36.321 8.221 1.00 0.00 C ATOM 1458 C GLY A 92 -15.185 -35.605 7.470 1.00 0.00 C ATOM 1459 O GLY A 92 -16.229 -36.190 7.184 1.00 0.00 O ATOM 0 H GLY A 92 -13.019 -36.866 6.498 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -14.433 -37.306 8.528 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -13.846 -35.768 9.131 1.00 0.00 H new TER 1463 GLY A 92