USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 963 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 95 MET CE :methyl 167:sc= -1.37 (180deg=-1.06) USER MOD Set 1.2: A 97 TYR OH : rot -86:sc= 0.375 USER MOD Set 2.1: A 81 GLN : amide:sc= -1.83 K(o=-0.98,f=-7.8!) USER MOD Set 2.2: A 83 LYS NZ :NH3+ 154:sc= 0.334 (180deg=0) USER MOD Set 2.3: A 124 HIS : no HD1:sc= 0.518 K(o=-0.98,f=-5.8!) USER MOD Set 3.1: A 62 GLN : amide:sc= -0.533 K(o=-3.4,f=-1.8) USER MOD Set 3.2: A 63 HIS : no HD1:sc= -2.88 K(o=-3.4,f=-1.1) USER MOD Set 4.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 54 SER OG : rot -168:sc= -0.505 USER MOD Set 5.1: A 24 SER OG : rot -71:sc= 0.0835 USER MOD Set 5.2: A 40 THR OG1 : rot 180:sc= 0.087 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= -0.67 X(o=-0.67,f=-1.1) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -8.89! C(o=-8.9!,f=-13!) USER MOD Single : A 28 ASN : amide:sc= -1.08 K(o=-1.1,f=-3.3!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 30:sc= -2.28! USER MOD Single : A 36 THR OG1 : rot 35:sc= 1.01 USER MOD Single : A 38 MET CE :methyl -140:sc= -4.36 (180deg=-10.4!) USER MOD Single : A 41 TYR OH : rot -157:sc= 0.702 USER MOD Single : A 43 SER OG : rot -127:sc= 1.47 USER MOD Single : A 44 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.19) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -3.62 K(o=-3.6,f=-7.5!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 52 GLN : amide:sc= -0.766 K(o=-0.77,f=-3.2!) USER MOD Single : A 53 MET CE :methyl -156:sc= -0.304 (180deg=-1.39) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.174 USER MOD Single : A 61 HIS : no HD1:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 65 THR OG1 : rot 32:sc= 1.11 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.585 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot -102:sc= 0.522 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -108:sc= -1.51 USER MOD Single : A 99 LYS NZ :NH3+ -164:sc=-0.000147 (180deg=-0.2) USER MOD Single : A 111 LYS NZ :NH3+ 169:sc= -1.12 (180deg=-1.51) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 154:sc= -0.123 (180deg=-0.63) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ -164:sc= -0.0266 (180deg=-0.372) USER MOD Single : A 134 SER OG : rot 148:sc= -2.27 USER MOD Single : A 135 LYS NZ :NH3+ 155:sc= -0.133 (180deg=-0.729) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 106 N PRO A 9 3.107 -3.254 9.542 1.00 0.00 N ATOM 107 CA PRO A 9 2.404 -3.776 8.324 1.00 0.00 C ATOM 108 C PRO A 9 1.690 -5.092 8.596 1.00 0.00 C ATOM 109 O PRO A 9 2.144 -5.900 9.413 1.00 0.00 O ATOM 110 CB PRO A 9 3.533 -3.966 7.308 1.00 0.00 C ATOM 111 CG PRO A 9 4.750 -4.216 8.133 1.00 0.00 C ATOM 112 CD PRO A 9 4.590 -3.361 9.387 1.00 0.00 C ATOM 0 HA PRO A 9 1.624 -3.098 7.978 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.328 -4.804 6.641 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.654 -3.082 6.682 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.838 -5.272 8.389 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.654 -3.944 7.588 1.00 0.00 H new ATOM 0 HD2 PRO A 9 5.053 -3.830 10.255 1.00 0.00 H new ATOM 0 HD3 PRO A 9 5.054 -2.382 9.268 1.00 0.00 H new ATOM 120 N THR A 10 0.561 -5.290 7.912 1.00 0.00 N ATOM 121 CA THR A 10 -0.243 -6.500 8.078 1.00 0.00 C ATOM 122 C THR A 10 -0.615 -7.093 6.713 1.00 0.00 C ATOM 123 O THR A 10 -1.064 -6.373 5.815 1.00 0.00 O ATOM 124 CB THR A 10 -1.515 -6.169 8.889 1.00 0.00 C ATOM 125 OG1 THR A 10 -1.135 -5.603 10.137 1.00 0.00 O ATOM 126 CG2 THR A 10 -2.335 -7.445 9.147 1.00 0.00 C ATOM 0 H THR A 10 0.183 -4.625 7.237 1.00 0.00 H new ATOM 0 HA THR A 10 0.342 -7.243 8.620 1.00 0.00 H new ATOM 0 HB THR A 10 -2.123 -5.465 8.322 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.938 -5.389 10.657 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.228 -7.194 9.720 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.627 -7.888 8.195 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.732 -8.158 9.709 1.00 0.00 H new ATOM 134 N THR A 11 -0.443 -8.415 6.579 1.00 0.00 N ATOM 135 CA THR A 11 -0.784 -9.117 5.341 1.00 0.00 C ATOM 136 C THR A 11 -1.936 -10.095 5.604 1.00 0.00 C ATOM 137 O THR A 11 -1.861 -10.917 6.523 1.00 0.00 O ATOM 138 CB THR A 11 0.457 -9.864 4.805 1.00 0.00 C ATOM 139 OG1 THR A 11 1.505 -8.927 4.589 1.00 0.00 O ATOM 140 CG2 THR A 11 0.131 -10.559 3.473 1.00 0.00 C ATOM 0 H THR A 11 -0.070 -9.016 7.314 1.00 0.00 H new ATOM 0 HA THR A 11 -1.105 -8.397 4.588 1.00 0.00 H new ATOM 0 HB THR A 11 0.760 -10.615 5.535 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.297 -9.394 4.250 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.016 -11.081 3.109 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.676 -11.276 3.625 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.178 -9.814 2.740 1.00 0.00 H new ATOM 148 N VAL A 12 -3.017 -9.970 4.814 1.00 0.00 N ATOM 149 CA VAL A 12 -4.203 -10.822 4.997 1.00 0.00 C ATOM 150 C VAL A 12 -4.698 -11.391 3.657 1.00 0.00 C ATOM 151 O VAL A 12 -4.852 -10.657 2.681 1.00 0.00 O ATOM 152 CB VAL A 12 -5.334 -10.027 5.713 1.00 0.00 C ATOM 153 CG1 VAL A 12 -6.575 -10.918 5.924 1.00 0.00 C ATOM 154 CG2 VAL A 12 -4.828 -9.539 7.081 1.00 0.00 C ATOM 0 H VAL A 12 -3.093 -9.296 4.052 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.919 -11.666 5.626 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.610 -9.177 5.089 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.354 -10.344 6.426 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.944 -11.263 4.958 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.306 -11.778 6.538 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.619 -8.982 7.584 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.544 -10.397 7.691 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.962 -8.892 6.939 1.00 0.00 H new ATOM 164 N ALA A 13 -4.979 -12.696 3.644 1.00 0.00 N ATOM 165 CA ALA A 13 -5.502 -13.365 2.454 1.00 0.00 C ATOM 166 C ALA A 13 -7.024 -13.495 2.547 1.00 0.00 C ATOM 167 O ALA A 13 -7.572 -13.594 3.653 1.00 0.00 O ATOM 168 CB ALA A 13 -4.869 -14.749 2.300 1.00 0.00 C ATOM 0 H ALA A 13 -4.852 -13.311 4.448 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.250 -12.764 1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.268 -15.235 1.410 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.788 -14.646 2.203 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.099 -15.354 3.177 1.00 0.00 H new ATOM 174 N PHE A 14 -7.706 -13.490 1.387 1.00 0.00 N ATOM 175 CA PHE A 14 -9.167 -13.607 1.362 1.00 0.00 C ATOM 176 C PHE A 14 -9.635 -14.431 0.158 1.00 0.00 C ATOM 177 O PHE A 14 -8.877 -14.629 -0.798 1.00 0.00 O ATOM 178 CB PHE A 14 -9.828 -12.202 1.384 1.00 0.00 C ATOM 179 CG PHE A 14 -9.570 -11.441 0.088 1.00 0.00 C ATOM 180 CD1 PHE A 14 -10.534 -11.447 -0.928 1.00 0.00 C ATOM 181 CD2 PHE A 14 -8.377 -10.731 -0.088 1.00 0.00 C ATOM 182 CE1 PHE A 14 -10.307 -10.743 -2.115 1.00 0.00 C ATOM 183 CE2 PHE A 14 -8.150 -10.028 -1.281 1.00 0.00 C ATOM 184 CZ PHE A 14 -9.116 -10.034 -2.292 1.00 0.00 C ATOM 0 H PHE A 14 -7.271 -13.407 0.468 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.483 -14.139 2.260 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.902 -12.307 1.538 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.440 -11.630 2.226 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.454 -11.996 -0.795 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.632 -10.724 0.694 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.053 -10.747 -2.896 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.228 -9.482 -1.418 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.942 -9.491 -3.209 1.00 0.00 H new ATOM 194 N ASP A 15 -10.868 -14.948 0.239 1.00 0.00 N ATOM 195 CA ASP A 15 -11.413 -15.799 -0.814 1.00 0.00 C ATOM 196 C ASP A 15 -12.313 -15.013 -1.758 1.00 0.00 C ATOM 197 O ASP A 15 -13.305 -14.418 -1.324 1.00 0.00 O ATOM 198 CB ASP A 15 -12.220 -16.945 -0.195 1.00 0.00 C ATOM 199 CG ASP A 15 -11.338 -17.769 0.734 1.00 0.00 C ATOM 200 OD1 ASP A 15 -10.249 -18.121 0.323 1.00 0.00 O ATOM 201 OD2 ASP A 15 -11.768 -18.035 1.844 1.00 0.00 O ATOM 0 H ASP A 15 -11.501 -14.789 1.023 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.573 -16.195 -1.385 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -13.069 -16.544 0.359 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.625 -17.581 -0.982 1.00 0.00 H new ATOM 206 N VAL A 16 -12.011 -15.087 -3.066 1.00 0.00 N ATOM 207 CA VAL A 16 -12.858 -14.456 -4.077 1.00 0.00 C ATOM 208 C VAL A 16 -13.825 -15.500 -4.620 1.00 0.00 C ATOM 209 O VAL A 16 -13.419 -16.438 -5.312 1.00 0.00 O ATOM 210 CB VAL A 16 -11.991 -13.849 -5.213 1.00 0.00 C ATOM 211 CG1 VAL A 16 -12.882 -13.222 -6.299 1.00 0.00 C ATOM 212 CG2 VAL A 16 -11.096 -12.755 -4.631 1.00 0.00 C ATOM 0 H VAL A 16 -11.195 -15.573 -3.439 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.424 -13.639 -3.630 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.391 -14.645 -5.655 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.256 -12.802 -7.086 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.533 -13.987 -6.722 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -13.490 -12.432 -5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.485 -12.325 -5.424 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -11.716 -11.976 -4.187 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.449 -13.183 -3.866 1.00 0.00 H new ATOM 222 N ARG A 17 -15.098 -15.349 -4.259 1.00 0.00 N ATOM 223 CA ARG A 17 -16.137 -16.296 -4.661 1.00 0.00 C ATOM 224 C ARG A 17 -17.140 -15.634 -5.646 1.00 0.00 C ATOM 225 O ARG A 17 -17.888 -14.738 -5.245 1.00 0.00 O ATOM 226 CB ARG A 17 -16.871 -16.817 -3.415 1.00 0.00 C ATOM 227 CG ARG A 17 -15.870 -17.563 -2.505 1.00 0.00 C ATOM 228 CD ARG A 17 -16.562 -17.982 -1.201 1.00 0.00 C ATOM 229 NE ARG A 17 -17.688 -18.900 -1.476 1.00 0.00 N ATOM 230 CZ ARG A 17 -17.533 -20.237 -1.659 1.00 0.00 C ATOM 231 NH1 ARG A 17 -16.346 -20.805 -1.596 1.00 0.00 N ATOM 232 NH2 ARG A 17 -18.582 -20.974 -1.903 1.00 0.00 N ATOM 0 H ARG A 17 -15.436 -14.576 -3.686 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.667 -17.134 -5.176 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -17.324 -15.987 -2.873 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -17.680 -17.485 -3.709 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.482 -18.442 -3.020 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.017 -16.921 -2.284 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.843 -18.469 -0.542 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -16.927 -17.098 -0.677 1.00 0.00 H new ATOM 0 HE ARG A 17 -18.629 -18.510 -1.531 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.519 -20.239 -1.406 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.254 -21.811 -1.737 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -19.506 -20.545 -1.955 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -18.478 -21.979 -2.042 1.00 0.00 H new ATOM 246 N PRO A 18 -17.157 -16.035 -6.946 1.00 0.00 N ATOM 247 CA PRO A 18 -18.071 -15.420 -7.964 1.00 0.00 C ATOM 248 C PRO A 18 -19.503 -15.947 -7.862 1.00 0.00 C ATOM 249 O PRO A 18 -19.774 -16.896 -7.120 1.00 0.00 O ATOM 250 CB PRO A 18 -17.440 -15.821 -9.284 1.00 0.00 C ATOM 251 CG PRO A 18 -16.844 -17.159 -9.019 1.00 0.00 C ATOM 252 CD PRO A 18 -16.323 -17.108 -7.581 1.00 0.00 C ATOM 0 HA PRO A 18 -18.165 -14.342 -7.832 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -18.182 -15.868 -10.081 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.682 -15.103 -9.596 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -17.587 -17.948 -9.138 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.037 -17.373 -9.720 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.447 -18.065 -7.075 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.261 -16.864 -7.547 1.00 0.00 H new ATOM 260 N GLY A 19 -20.412 -15.321 -8.620 1.00 0.00 N ATOM 261 CA GLY A 19 -21.828 -15.723 -8.628 1.00 0.00 C ATOM 262 C GLY A 19 -22.783 -14.518 -8.759 1.00 0.00 C ATOM 263 O GLY A 19 -23.972 -14.633 -8.446 1.00 0.00 O ATOM 0 H GLY A 19 -20.195 -14.536 -9.235 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -22.002 -16.412 -9.454 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -22.054 -16.264 -7.709 1.00 0.00 H new ATOM 267 N GLY A 20 -22.257 -13.371 -9.226 1.00 0.00 N ATOM 268 CA GLY A 20 -23.068 -12.162 -9.396 1.00 0.00 C ATOM 269 C GLY A 20 -23.481 -11.565 -8.047 1.00 0.00 C ATOM 270 O GLY A 20 -24.525 -10.913 -7.944 1.00 0.00 O ATOM 0 H GLY A 20 -21.278 -13.261 -9.490 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -22.504 -11.422 -9.965 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -23.959 -12.400 -9.977 1.00 0.00 H new ATOM 274 N VAL A 21 -22.661 -11.808 -7.016 1.00 0.00 N ATOM 275 CA VAL A 21 -22.940 -11.312 -5.668 1.00 0.00 C ATOM 276 C VAL A 21 -21.881 -10.294 -5.266 1.00 0.00 C ATOM 277 O VAL A 21 -20.678 -10.560 -5.374 1.00 0.00 O ATOM 278 CB VAL A 21 -22.972 -12.486 -4.654 1.00 0.00 C ATOM 279 CG1 VAL A 21 -23.287 -11.971 -3.238 1.00 0.00 C ATOM 280 CG2 VAL A 21 -24.046 -13.504 -5.067 1.00 0.00 C ATOM 0 H VAL A 21 -21.798 -12.346 -7.093 1.00 0.00 H new ATOM 0 HA VAL A 21 -23.917 -10.830 -5.664 1.00 0.00 H new ATOM 0 HB VAL A 21 -21.991 -12.962 -4.651 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -23.305 -12.809 -2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -22.520 -11.260 -2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -24.259 -11.478 -3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -24.063 -14.326 -4.351 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -25.021 -13.017 -5.084 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -23.817 -13.892 -6.059 1.00 0.00 H new ATOM 290 N VAL A 22 -22.340 -9.135 -4.795 1.00 0.00 N ATOM 291 CA VAL A 22 -21.437 -8.076 -4.367 1.00 0.00 C ATOM 292 C VAL A 22 -20.829 -8.450 -3.020 1.00 0.00 C ATOM 293 O VAL A 22 -21.546 -8.641 -2.031 1.00 0.00 O ATOM 294 CB VAL A 22 -22.200 -6.724 -4.268 1.00 0.00 C ATOM 295 CG1 VAL A 22 -21.251 -5.601 -3.813 1.00 0.00 C ATOM 296 CG2 VAL A 22 -22.782 -6.357 -5.641 1.00 0.00 C ATOM 0 H VAL A 22 -23.330 -8.909 -4.702 1.00 0.00 H new ATOM 0 HA VAL A 22 -20.639 -7.960 -5.100 1.00 0.00 H new ATOM 0 HB VAL A 22 -23.002 -6.834 -3.538 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -21.802 -4.663 -3.749 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -20.839 -5.847 -2.834 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -20.439 -5.497 -4.533 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -23.316 -5.409 -5.568 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -21.973 -6.263 -6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -23.471 -7.138 -5.965 1.00 0.00 H new ATOM 306 N HIS A 23 -19.502 -8.560 -2.999 1.00 0.00 N ATOM 307 CA HIS A 23 -18.773 -8.922 -1.784 1.00 0.00 C ATOM 308 C HIS A 23 -17.922 -7.764 -1.312 1.00 0.00 C ATOM 309 O HIS A 23 -17.280 -7.081 -2.119 1.00 0.00 O ATOM 310 CB HIS A 23 -17.880 -10.145 -2.028 1.00 0.00 C ATOM 311 CG HIS A 23 -18.727 -11.336 -2.405 1.00 0.00 C ATOM 312 ND1 HIS A 23 -19.563 -11.969 -1.498 1.00 0.00 N ATOM 313 CD2 HIS A 23 -18.873 -12.017 -3.587 1.00 0.00 C ATOM 314 CE1 HIS A 23 -20.169 -12.982 -2.146 1.00 0.00 C ATOM 315 NE2 HIS A 23 -19.783 -13.055 -3.422 1.00 0.00 N ATOM 0 H HIS A 23 -18.907 -8.403 -3.813 1.00 0.00 H new ATOM 0 HA HIS A 23 -19.506 -9.167 -1.015 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -17.165 -9.931 -2.822 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -17.302 -10.369 -1.131 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -19.695 -11.714 -0.519 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -18.359 -11.782 -4.507 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -20.881 -13.654 -1.689 1.00 0.00 H new ATOM 323 N SER A 24 -17.918 -7.550 0.002 1.00 0.00 N ATOM 324 CA SER A 24 -17.142 -6.470 0.604 1.00 0.00 C ATOM 325 C SER A 24 -16.061 -7.020 1.523 1.00 0.00 C ATOM 326 O SER A 24 -16.340 -7.808 2.431 1.00 0.00 O ATOM 327 CB SER A 24 -18.059 -5.534 1.388 1.00 0.00 C ATOM 328 OG SER A 24 -18.994 -4.937 0.496 1.00 0.00 O ATOM 0 H SER A 24 -18.445 -8.112 0.671 1.00 0.00 H new ATOM 0 HA SER A 24 -16.661 -5.913 -0.200 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.584 -6.088 2.166 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.471 -4.763 1.887 1.00 0.00 H new ATOM 0 HG SER A 24 -18.534 -4.284 -0.072 1.00 0.00 H new ATOM 334 N PHE A 25 -14.833 -6.565 1.296 1.00 0.00 N ATOM 335 CA PHE A 25 -13.683 -6.961 2.110 1.00 0.00 C ATOM 336 C PHE A 25 -12.983 -5.717 2.627 1.00 0.00 C ATOM 337 O PHE A 25 -12.982 -4.684 1.954 1.00 0.00 O ATOM 338 CB PHE A 25 -12.702 -7.804 1.285 1.00 0.00 C ATOM 339 CG PHE A 25 -13.374 -9.079 0.832 1.00 0.00 C ATOM 340 CD1 PHE A 25 -14.019 -9.125 -0.409 1.00 0.00 C ATOM 341 CD2 PHE A 25 -13.351 -10.214 1.652 1.00 0.00 C ATOM 342 CE1 PHE A 25 -14.642 -10.305 -0.831 1.00 0.00 C ATOM 343 CE2 PHE A 25 -13.974 -11.394 1.230 1.00 0.00 C ATOM 344 CZ PHE A 25 -14.620 -11.441 -0.011 1.00 0.00 C ATOM 0 H PHE A 25 -14.605 -5.913 0.545 1.00 0.00 H new ATOM 0 HA PHE A 25 -14.033 -7.563 2.949 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -12.359 -7.236 0.420 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -11.820 -8.039 1.881 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.036 -8.250 -1.041 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -12.853 -10.179 2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -15.140 -10.340 -1.789 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -13.956 -12.269 1.862 1.00 0.00 H new ATOM 0 HZ PHE A 25 -15.101 -12.352 -0.336 1.00 0.00 H new ATOM 354 N SER A 26 -12.422 -5.801 3.835 1.00 0.00 N ATOM 355 CA SER A 26 -11.759 -4.648 4.441 1.00 0.00 C ATOM 356 C SER A 26 -10.670 -5.078 5.406 1.00 0.00 C ATOM 357 O SER A 26 -10.592 -6.250 5.790 1.00 0.00 O ATOM 358 CB SER A 26 -12.781 -3.781 5.165 1.00 0.00 C ATOM 359 OG SER A 26 -13.258 -4.473 6.313 1.00 0.00 O ATOM 0 H SER A 26 -12.414 -6.646 4.406 1.00 0.00 H new ATOM 0 HA SER A 26 -11.293 -4.071 3.642 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.328 -2.834 5.459 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.610 -3.544 4.499 1.00 0.00 H new ATOM 0 HG SER A 26 -13.914 -3.916 6.781 1.00 0.00 H new ATOM 365 N HIS A 27 -9.822 -4.118 5.788 1.00 0.00 N ATOM 366 CA HIS A 27 -8.722 -4.388 6.707 1.00 0.00 C ATOM 367 C HIS A 27 -8.404 -3.155 7.551 1.00 0.00 C ATOM 368 O HIS A 27 -8.511 -2.017 7.075 1.00 0.00 O ATOM 369 CB HIS A 27 -7.474 -4.826 5.929 1.00 0.00 C ATOM 370 CG HIS A 27 -6.463 -5.402 6.884 1.00 0.00 C ATOM 371 ND1 HIS A 27 -5.627 -4.603 7.650 1.00 0.00 N ATOM 372 CD2 HIS A 27 -6.157 -6.694 7.217 1.00 0.00 C ATOM 373 CE1 HIS A 27 -4.866 -5.422 8.401 1.00 0.00 C ATOM 374 NE2 HIS A 27 -5.151 -6.707 8.175 1.00 0.00 N ATOM 0 H HIS A 27 -9.880 -3.150 5.473 1.00 0.00 H new ATOM 0 HA HIS A 27 -9.027 -5.194 7.374 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.743 -5.568 5.177 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.046 -3.975 5.399 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -5.595 -3.584 7.645 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.627 -7.571 6.798 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.117 -5.081 9.100 1.00 0.00 H new ATOM 382 N ASN A 28 -8.027 -3.397 8.808 1.00 0.00 N ATOM 383 CA ASN A 28 -7.703 -2.324 9.745 1.00 0.00 C ATOM 384 C ASN A 28 -6.655 -2.784 10.756 1.00 0.00 C ATOM 385 O ASN A 28 -6.370 -3.981 10.865 1.00 0.00 O ATOM 386 CB ASN A 28 -8.972 -1.851 10.473 1.00 0.00 C ATOM 387 CG ASN A 28 -9.618 -3.001 11.261 1.00 0.00 C ATOM 388 OD1 ASN A 28 -8.953 -3.979 11.621 1.00 0.00 O ATOM 389 ND2 ASN A 28 -10.889 -2.940 11.550 1.00 0.00 N ATOM 0 H ASN A 28 -7.939 -4.334 9.201 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.289 -1.490 9.179 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -8.723 -1.035 11.152 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.685 -1.457 9.749 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.330 -3.698 12.071 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.441 -2.135 11.255 1.00 0.00 H new ATOM 396 N VAL A 29 -6.080 -1.823 11.486 1.00 0.00 N ATOM 397 CA VAL A 29 -5.046 -2.118 12.490 1.00 0.00 C ATOM 398 C VAL A 29 -5.430 -1.523 13.846 1.00 0.00 C ATOM 399 O VAL A 29 -6.316 -0.671 13.922 1.00 0.00 O ATOM 400 CB VAL A 29 -3.672 -1.580 12.034 1.00 0.00 C ATOM 401 CG1 VAL A 29 -3.245 -2.291 10.747 1.00 0.00 C ATOM 402 CG2 VAL A 29 -3.752 -0.060 11.777 1.00 0.00 C ATOM 0 H VAL A 29 -6.311 -0.833 11.402 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.972 -3.200 12.595 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.941 -1.770 12.820 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.275 -1.911 10.426 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.172 -3.363 10.931 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.984 -2.106 9.967 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.777 0.307 11.456 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.489 0.139 10.999 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.047 0.449 12.695 1.00 0.00 H new ATOM 412 N GLY A 30 -4.799 -2.023 14.919 1.00 0.00 N ATOM 413 CA GLY A 30 -5.125 -1.577 16.280 1.00 0.00 C ATOM 414 C GLY A 30 -4.990 -0.042 16.433 1.00 0.00 C ATOM 415 O GLY A 30 -6.004 0.643 16.599 1.00 0.00 O ATOM 0 H GLY A 30 -4.066 -2.731 14.871 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.143 -1.878 16.527 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.465 -2.072 16.992 1.00 0.00 H new ATOM 419 N PRO A 31 -3.764 0.524 16.375 1.00 0.00 N ATOM 420 CA PRO A 31 -3.561 2.013 16.508 1.00 0.00 C ATOM 421 C PRO A 31 -4.346 2.784 15.448 1.00 0.00 C ATOM 422 O PRO A 31 -4.950 3.821 15.735 1.00 0.00 O ATOM 423 CB PRO A 31 -2.052 2.184 16.283 1.00 0.00 C ATOM 424 CG PRO A 31 -1.462 0.869 16.659 1.00 0.00 C ATOM 425 CD PRO A 31 -2.464 -0.172 16.188 1.00 0.00 C ATOM 0 HA PRO A 31 -3.907 2.396 17.468 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.832 2.434 15.245 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.649 2.989 16.897 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.492 0.724 16.184 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.303 0.803 17.735 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.300 -0.452 15.147 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.405 -1.087 16.777 1.00 0.00 H new ATOM 433 N GLY A 32 -4.328 2.256 14.224 1.00 0.00 N ATOM 434 CA GLY A 32 -5.033 2.865 13.092 1.00 0.00 C ATOM 435 C GLY A 32 -6.447 2.294 12.927 1.00 0.00 C ATOM 436 O GLY A 32 -6.962 2.225 11.805 1.00 0.00 O ATOM 0 H GLY A 32 -3.828 1.399 13.988 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.091 3.944 13.238 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.464 2.698 12.177 1.00 0.00 H new ATOM 440 N ASP A 33 -7.055 1.855 14.040 1.00 0.00 N ATOM 441 CA ASP A 33 -8.396 1.248 13.997 1.00 0.00 C ATOM 442 C ASP A 33 -9.411 2.189 13.355 1.00 0.00 C ATOM 443 O ASP A 33 -10.300 1.744 12.621 1.00 0.00 O ATOM 444 CB ASP A 33 -8.847 0.864 15.411 1.00 0.00 C ATOM 445 CG ASP A 33 -8.858 2.078 16.370 1.00 0.00 C ATOM 446 OD1 ASP A 33 -8.325 3.124 16.014 1.00 0.00 O ATOM 447 OD2 ASP A 33 -9.402 1.935 17.453 1.00 0.00 O ATOM 0 H ASP A 33 -6.645 1.908 14.972 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.340 0.349 13.384 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.845 0.429 15.367 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.182 0.096 15.807 1.00 0.00 H new ATOM 452 N LYS A 34 -9.216 3.484 13.565 1.00 0.00 N ATOM 453 CA LYS A 34 -10.046 4.506 12.943 1.00 0.00 C ATOM 454 C LYS A 34 -9.905 4.432 11.424 1.00 0.00 C ATOM 455 O LYS A 34 -10.854 4.703 10.682 1.00 0.00 O ATOM 456 CB LYS A 34 -9.607 5.887 13.418 1.00 0.00 C ATOM 457 CG LYS A 34 -9.972 6.058 14.892 1.00 0.00 C ATOM 458 CD LYS A 34 -9.419 7.388 15.420 1.00 0.00 C ATOM 459 CE LYS A 34 -10.236 8.567 14.859 1.00 0.00 C ATOM 460 NZ LYS A 34 -9.769 9.841 15.480 1.00 0.00 N ATOM 0 H LYS A 34 -8.482 3.854 14.168 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.086 4.336 13.223 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.532 6.005 13.282 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.091 6.660 12.820 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.055 6.032 15.012 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.567 5.230 15.474 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.455 7.398 16.509 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.372 7.493 15.134 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.125 8.617 13.776 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.296 8.418 15.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.322 10.636 15.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.897 9.792 16.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.762 9.985 15.263 1.00 0.00 H new ATOM 474 N TYR A 35 -8.684 4.117 10.977 1.00 0.00 N ATOM 475 CA TYR A 35 -8.361 4.066 9.540 1.00 0.00 C ATOM 476 C TYR A 35 -8.533 2.648 8.989 1.00 0.00 C ATOM 477 O TYR A 35 -8.064 1.681 9.598 1.00 0.00 O ATOM 478 CB TYR A 35 -6.904 4.510 9.315 1.00 0.00 C ATOM 479 CG TYR A 35 -6.705 5.932 9.808 1.00 0.00 C ATOM 480 CD1 TYR A 35 -6.090 6.163 11.046 1.00 0.00 C ATOM 481 CD2 TYR A 35 -7.136 7.009 9.032 1.00 0.00 C ATOM 482 CE1 TYR A 35 -5.908 7.472 11.504 1.00 0.00 C ATOM 483 CE2 TYR A 35 -6.954 8.319 9.490 1.00 0.00 C ATOM 484 CZ TYR A 35 -6.340 8.551 10.725 1.00 0.00 C ATOM 485 OH TYR A 35 -6.162 9.842 11.176 1.00 0.00 O ATOM 0 H TYR A 35 -7.899 3.892 11.589 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.044 4.736 9.019 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.226 3.837 9.841 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.657 4.447 8.255 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.756 5.330 11.647 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.610 6.832 8.078 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.434 7.650 12.458 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.288 9.152 8.889 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.363 9.884 11.742 1.00 0.00 H new ATOM 495 N THR A 36 -9.194 2.530 7.817 1.00 0.00 N ATOM 496 CA THR A 36 -9.395 1.217 7.185 1.00 0.00 C ATOM 497 C THR A 36 -9.623 1.330 5.671 1.00 0.00 C ATOM 498 O THR A 36 -10.125 2.346 5.179 1.00 0.00 O ATOM 499 CB THR A 36 -10.566 0.467 7.850 1.00 0.00 C ATOM 500 OG1 THR A 36 -10.716 -0.810 7.243 1.00 0.00 O ATOM 501 CG2 THR A 36 -11.867 1.266 7.700 1.00 0.00 C ATOM 0 H THR A 36 -9.590 3.316 7.300 1.00 0.00 H new ATOM 0 HA THR A 36 -8.478 0.647 7.334 1.00 0.00 H new ATOM 0 HB THR A 36 -10.351 0.346 8.912 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.834 -1.163 7.002 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.684 0.723 8.175 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.753 2.240 8.177 1.00 0.00 H new ATOM 0 HG23 THR A 36 -12.089 1.404 6.642 1.00 0.00 H new ATOM 509 N CYS A 37 -9.293 0.248 4.955 1.00 0.00 N ATOM 510 CA CYS A 37 -9.501 0.175 3.504 1.00 0.00 C ATOM 511 C CYS A 37 -10.655 -0.770 3.195 1.00 0.00 C ATOM 512 O CYS A 37 -10.789 -1.819 3.835 1.00 0.00 O ATOM 513 CB CYS A 37 -8.240 -0.355 2.795 1.00 0.00 C ATOM 514 SG CYS A 37 -6.844 0.768 3.034 1.00 0.00 S ATOM 0 H CYS A 37 -8.879 -0.592 5.359 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.724 1.180 3.146 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.988 -1.342 3.183 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.439 -0.472 1.730 1.00 0.00 H new ATOM 519 N MET A 38 -11.455 -0.427 2.176 1.00 0.00 N ATOM 520 CA MET A 38 -12.562 -1.289 1.746 1.00 0.00 C ATOM 521 C MET A 38 -12.489 -1.561 0.267 1.00 0.00 C ATOM 522 O MET A 38 -12.198 -0.666 -0.531 1.00 0.00 O ATOM 523 CB MET A 38 -13.918 -0.677 2.071 1.00 0.00 C ATOM 524 CG MET A 38 -14.093 -0.602 3.581 1.00 0.00 C ATOM 525 SD MET A 38 -15.816 -0.185 3.976 1.00 0.00 S ATOM 526 CE MET A 38 -15.843 1.486 3.279 1.00 0.00 C ATOM 0 H MET A 38 -11.357 0.434 1.639 1.00 0.00 H new ATOM 0 HA MET A 38 -12.461 -2.224 2.296 1.00 0.00 H new ATOM 0 HB2 MET A 38 -13.993 0.320 1.636 1.00 0.00 H new ATOM 0 HB3 MET A 38 -14.714 -1.277 1.631 1.00 0.00 H new ATOM 0 HG2 MET A 38 -13.826 -1.556 4.036 1.00 0.00 H new ATOM 0 HG3 MET A 38 -13.422 0.149 3.998 1.00 0.00 H new ATOM 0 HE1 MET A 38 -16.408 2.146 3.937 1.00 0.00 H new ATOM 0 HE2 MET A 38 -14.822 1.857 3.183 1.00 0.00 H new ATOM 0 HE3 MET A 38 -16.315 1.463 2.297 1.00 0.00 H new ATOM 536 N PHE A 39 -12.780 -2.797 -0.089 1.00 0.00 N ATOM 537 CA PHE A 39 -12.786 -3.225 -1.481 1.00 0.00 C ATOM 538 C PHE A 39 -14.043 -4.019 -1.789 1.00 0.00 C ATOM 539 O PHE A 39 -14.216 -5.141 -1.300 1.00 0.00 O ATOM 540 CB PHE A 39 -11.535 -4.056 -1.781 1.00 0.00 C ATOM 541 CG PHE A 39 -10.306 -3.182 -1.626 1.00 0.00 C ATOM 542 CD1 PHE A 39 -9.707 -3.033 -0.368 1.00 0.00 C ATOM 543 CD2 PHE A 39 -9.771 -2.522 -2.739 1.00 0.00 C ATOM 544 CE1 PHE A 39 -8.572 -2.225 -0.224 1.00 0.00 C ATOM 545 CE2 PHE A 39 -8.636 -1.714 -2.594 1.00 0.00 C ATOM 546 CZ PHE A 39 -8.037 -1.566 -1.337 1.00 0.00 C ATOM 0 H PHE A 39 -13.019 -3.534 0.574 1.00 0.00 H new ATOM 0 HA PHE A 39 -12.778 -2.341 -2.119 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -11.478 -4.907 -1.103 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -11.585 -4.458 -2.793 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -10.121 -3.541 0.491 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -10.233 -2.636 -3.708 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -8.110 -2.110 0.745 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.223 -1.205 -3.452 1.00 0.00 H new ATOM 0 HZ PHE A 39 -7.162 -0.943 -1.226 1.00 0.00 H new ATOM 556 N THR A 40 -14.913 -3.431 -2.606 1.00 0.00 N ATOM 557 CA THR A 40 -16.170 -4.075 -3.000 1.00 0.00 C ATOM 558 C THR A 40 -16.120 -4.418 -4.488 1.00 0.00 C ATOM 559 O THR A 40 -15.702 -3.596 -5.296 1.00 0.00 O ATOM 560 CB THR A 40 -17.361 -3.137 -2.696 1.00 0.00 C ATOM 561 OG1 THR A 40 -17.366 -2.827 -1.309 1.00 0.00 O ATOM 562 CG2 THR A 40 -18.691 -3.824 -3.057 1.00 0.00 C ATOM 0 H THR A 40 -14.773 -2.506 -3.011 1.00 0.00 H new ATOM 0 HA THR A 40 -16.304 -4.995 -2.431 1.00 0.00 H new ATOM 0 HB THR A 40 -17.255 -2.229 -3.289 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.118 -2.231 -1.110 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.520 -3.151 -2.837 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.696 -4.071 -4.119 1.00 0.00 H new ATOM 0 HG23 THR A 40 -18.800 -4.737 -2.471 1.00 0.00 H new ATOM 570 N TYR A 41 -16.502 -5.653 -4.834 1.00 0.00 N ATOM 571 CA TYR A 41 -16.459 -6.092 -6.232 1.00 0.00 C ATOM 572 C TYR A 41 -17.520 -7.150 -6.538 1.00 0.00 C ATOM 573 O TYR A 41 -18.019 -7.830 -5.637 1.00 0.00 O ATOM 574 CB TYR A 41 -15.052 -6.618 -6.588 1.00 0.00 C ATOM 575 CG TYR A 41 -14.700 -7.823 -5.730 1.00 0.00 C ATOM 576 CD1 TYR A 41 -15.051 -9.109 -6.156 1.00 0.00 C ATOM 577 CD2 TYR A 41 -14.027 -7.647 -4.514 1.00 0.00 C ATOM 578 CE1 TYR A 41 -14.727 -10.219 -5.369 1.00 0.00 C ATOM 579 CE2 TYR A 41 -13.705 -8.757 -3.727 1.00 0.00 C ATOM 580 CZ TYR A 41 -14.054 -10.043 -4.154 1.00 0.00 C ATOM 581 OH TYR A 41 -13.734 -11.139 -3.379 1.00 0.00 O ATOM 0 H TYR A 41 -16.839 -6.356 -4.176 1.00 0.00 H new ATOM 0 HA TYR A 41 -16.682 -5.223 -6.852 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -15.016 -6.892 -7.642 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -14.314 -5.830 -6.438 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.572 -9.244 -7.092 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.757 -6.655 -4.185 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -14.996 -11.212 -5.699 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.187 -8.622 -2.789 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.620 -10.859 -2.447 1.00 0.00 H new ATOM 591 N ALA A 42 -17.816 -7.304 -7.830 1.00 0.00 N ATOM 592 CA ALA A 42 -18.772 -8.308 -8.302 1.00 0.00 C ATOM 593 C ALA A 42 -18.103 -9.198 -9.342 1.00 0.00 C ATOM 594 O ALA A 42 -17.408 -8.696 -10.237 1.00 0.00 O ATOM 595 CB ALA A 42 -19.999 -7.626 -8.910 1.00 0.00 C ATOM 0 H ALA A 42 -17.403 -6.741 -8.574 1.00 0.00 H new ATOM 0 HA ALA A 42 -19.095 -8.918 -7.458 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -20.702 -8.384 -9.257 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -20.480 -7.003 -8.156 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -19.691 -7.005 -9.751 1.00 0.00 H new ATOM 601 N SER A 43 -18.281 -10.523 -9.205 1.00 0.00 N ATOM 602 CA SER A 43 -17.647 -11.476 -10.122 1.00 0.00 C ATOM 603 C SER A 43 -18.619 -12.548 -10.592 1.00 0.00 C ATOM 604 O SER A 43 -19.570 -12.888 -9.892 1.00 0.00 O ATOM 605 CB SER A 43 -16.448 -12.135 -9.450 1.00 0.00 C ATOM 606 OG SER A 43 -15.514 -11.134 -9.067 1.00 0.00 O ATOM 0 H SER A 43 -18.852 -10.951 -8.476 1.00 0.00 H new ATOM 0 HA SER A 43 -17.319 -10.914 -10.996 1.00 0.00 H new ATOM 0 HB2 SER A 43 -16.772 -12.700 -8.576 1.00 0.00 H new ATOM 0 HB3 SER A 43 -15.979 -12.844 -10.132 1.00 0.00 H new ATOM 0 HG SER A 43 -14.632 -11.353 -9.433 1.00 0.00 H new ATOM 612 N GLN A 44 -18.339 -13.098 -11.776 1.00 0.00 N ATOM 613 CA GLN A 44 -19.153 -14.165 -12.359 1.00 0.00 C ATOM 614 C GLN A 44 -18.268 -15.360 -12.733 1.00 0.00 C ATOM 615 O GLN A 44 -17.230 -15.197 -13.384 1.00 0.00 O ATOM 616 CB GLN A 44 -19.896 -13.644 -13.605 1.00 0.00 C ATOM 617 CG GLN A 44 -20.889 -14.702 -14.120 1.00 0.00 C ATOM 618 CD GLN A 44 -21.973 -14.974 -13.077 1.00 0.00 C ATOM 619 OE1 GLN A 44 -22.666 -14.052 -12.644 1.00 0.00 O ATOM 620 NE2 GLN A 44 -22.155 -16.189 -12.641 1.00 0.00 N ATOM 0 H GLN A 44 -17.547 -12.818 -12.354 1.00 0.00 H new ATOM 0 HA GLN A 44 -19.887 -14.490 -11.622 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.429 -12.725 -13.361 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -19.178 -13.398 -14.388 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -21.347 -14.358 -15.047 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -20.358 -15.626 -14.350 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -21.580 -16.951 -13.001 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -22.872 -16.377 -11.940 1.00 0.00 H new ATOM 629 N GLY A 45 -18.673 -16.552 -12.287 1.00 0.00 N ATOM 630 CA GLY A 45 -17.914 -17.780 -12.533 1.00 0.00 C ATOM 631 C GLY A 45 -18.321 -18.866 -11.543 1.00 0.00 C ATOM 632 O GLY A 45 -19.280 -18.690 -10.785 1.00 0.00 O ATOM 0 H GLY A 45 -19.529 -16.692 -11.750 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.089 -18.125 -13.552 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.846 -17.579 -12.443 1.00 0.00 H new ATOM 636 N GLY A 46 -17.596 -19.995 -11.563 1.00 0.00 N ATOM 637 CA GLY A 46 -17.903 -21.119 -10.664 1.00 0.00 C ATOM 638 C GLY A 46 -16.679 -21.601 -9.862 1.00 0.00 C ATOM 639 O GLY A 46 -16.734 -22.668 -9.238 1.00 0.00 O ATOM 0 H GLY A 46 -16.802 -20.154 -12.184 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -18.689 -20.818 -9.971 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.296 -21.949 -11.251 1.00 0.00 H new ATOM 643 N THR A 47 -15.572 -20.829 -9.888 1.00 0.00 N ATOM 644 CA THR A 47 -14.350 -21.223 -9.162 1.00 0.00 C ATOM 645 C THR A 47 -13.893 -20.126 -8.195 1.00 0.00 C ATOM 646 O THR A 47 -13.725 -18.966 -8.582 1.00 0.00 O ATOM 647 CB THR A 47 -13.225 -21.562 -10.167 1.00 0.00 C ATOM 648 OG1 THR A 47 -13.674 -22.592 -11.038 1.00 0.00 O ATOM 649 CG2 THR A 47 -11.967 -22.054 -9.425 1.00 0.00 C ATOM 0 H THR A 47 -15.500 -19.946 -10.394 1.00 0.00 H new ATOM 0 HA THR A 47 -14.579 -22.109 -8.569 1.00 0.00 H new ATOM 0 HB THR A 47 -12.977 -20.664 -10.732 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.966 -22.810 -11.679 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.186 -22.288 -10.148 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.615 -21.274 -8.750 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.210 -22.948 -8.851 1.00 0.00 H new ATOM 657 N ASN A 48 -13.674 -20.525 -6.939 1.00 0.00 N ATOM 658 CA ASN A 48 -13.213 -19.628 -5.898 1.00 0.00 C ATOM 659 C ASN A 48 -11.689 -19.669 -5.840 1.00 0.00 C ATOM 660 O ASN A 48 -11.079 -20.669 -6.239 1.00 0.00 O ATOM 661 CB ASN A 48 -13.780 -20.078 -4.542 1.00 0.00 C ATOM 662 CG ASN A 48 -15.295 -20.295 -4.635 1.00 0.00 C ATOM 663 OD1 ASN A 48 -16.025 -19.410 -5.078 1.00 0.00 O ATOM 664 ND2 ASN A 48 -15.804 -21.433 -4.245 1.00 0.00 N ATOM 0 H ASN A 48 -13.815 -21.485 -6.623 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.550 -18.615 -6.116 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.294 -21.001 -4.227 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -13.561 -19.327 -3.783 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -16.810 -21.590 -4.307 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -15.196 -22.165 -3.878 1.00 0.00 H new ATOM 671 N GLU A 49 -11.075 -18.587 -5.343 1.00 0.00 N ATOM 672 CA GLU A 49 -9.621 -18.521 -5.241 1.00 0.00 C ATOM 673 C GLU A 49 -9.184 -17.648 -4.077 1.00 0.00 C ATOM 674 O GLU A 49 -10.011 -17.027 -3.416 1.00 0.00 O ATOM 675 CB GLU A 49 -8.999 -18.029 -6.547 1.00 0.00 C ATOM 676 CG GLU A 49 -9.469 -16.614 -6.870 1.00 0.00 C ATOM 677 CD GLU A 49 -8.993 -16.221 -8.265 1.00 0.00 C ATOM 678 OE1 GLU A 49 -7.912 -15.667 -8.363 1.00 0.00 O ATOM 679 OE2 GLU A 49 -9.712 -16.484 -9.215 1.00 0.00 O ATOM 0 H GLU A 49 -11.562 -17.755 -5.009 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.262 -19.533 -5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.912 -18.047 -6.467 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.270 -18.702 -7.361 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.556 -16.561 -6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.080 -15.913 -6.131 1.00 0.00 H new ATOM 686 N GLN A 50 -7.876 -17.636 -3.821 1.00 0.00 N ATOM 687 CA GLN A 50 -7.311 -16.869 -2.716 1.00 0.00 C ATOM 688 C GLN A 50 -6.437 -15.734 -3.218 1.00 0.00 C ATOM 689 O GLN A 50 -5.526 -15.941 -4.023 1.00 0.00 O ATOM 690 CB GLN A 50 -6.494 -17.789 -1.814 1.00 0.00 C ATOM 691 CG GLN A 50 -7.432 -18.793 -1.151 1.00 0.00 C ATOM 692 CD GLN A 50 -6.638 -19.777 -0.300 1.00 0.00 C ATOM 693 OE1 GLN A 50 -5.679 -19.390 0.370 1.00 0.00 O ATOM 694 NE2 GLN A 50 -6.984 -21.034 -0.282 1.00 0.00 N ATOM 0 H GLN A 50 -7.187 -18.152 -4.368 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.135 -16.435 -2.150 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.735 -18.311 -2.397 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.970 -17.206 -1.057 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.158 -18.268 -0.530 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.995 -19.332 -1.912 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.778 -21.352 -0.837 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.461 -21.699 0.287 1.00 0.00 H new ATOM 703 N TRP A 51 -6.706 -14.542 -2.699 1.00 0.00 N ATOM 704 CA TRP A 51 -5.945 -13.347 -3.033 1.00 0.00 C ATOM 705 C TRP A 51 -5.189 -12.851 -1.805 1.00 0.00 C ATOM 706 O TRP A 51 -5.672 -12.994 -0.675 1.00 0.00 O ATOM 707 CB TRP A 51 -6.882 -12.248 -3.528 1.00 0.00 C ATOM 708 CG TRP A 51 -7.391 -12.564 -4.904 1.00 0.00 C ATOM 709 CD1 TRP A 51 -8.156 -13.636 -5.237 1.00 0.00 C ATOM 710 CD2 TRP A 51 -7.196 -11.802 -6.134 1.00 0.00 C ATOM 711 NE1 TRP A 51 -8.441 -13.567 -6.591 1.00 0.00 N ATOM 712 CE2 TRP A 51 -7.868 -12.460 -7.185 1.00 0.00 C ATOM 713 CE3 TRP A 51 -6.503 -10.614 -6.432 1.00 0.00 C ATOM 714 CZ2 TRP A 51 -7.859 -11.961 -8.491 1.00 0.00 C ATOM 715 CZ3 TRP A 51 -6.490 -10.105 -7.745 1.00 0.00 C ATOM 716 CH2 TRP A 51 -7.166 -10.779 -8.773 1.00 0.00 C ATOM 0 H TRP A 51 -7.461 -14.378 -2.033 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.234 -13.596 -3.821 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -7.721 -12.142 -2.840 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.356 -11.293 -3.540 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -8.486 -14.411 -4.561 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.007 -14.253 -7.090 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -5.977 -10.089 -5.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.383 -12.484 -9.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.957 -9.191 -7.962 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.151 -10.387 -9.779 1.00 0.00 H new ATOM 727 N GLN A 52 -4.006 -12.270 -2.024 1.00 0.00 N ATOM 728 CA GLN A 52 -3.187 -11.750 -0.919 1.00 0.00 C ATOM 729 C GLN A 52 -3.339 -10.245 -0.804 1.00 0.00 C ATOM 730 O GLN A 52 -3.385 -9.538 -1.819 1.00 0.00 O ATOM 731 CB GLN A 52 -1.703 -12.098 -1.128 1.00 0.00 C ATOM 732 CG GLN A 52 -1.512 -13.625 -1.212 1.00 0.00 C ATOM 733 CD GLN A 52 -1.917 -14.295 0.105 1.00 0.00 C ATOM 734 OE1 GLN A 52 -2.845 -15.105 0.132 1.00 0.00 O ATOM 735 NE2 GLN A 52 -1.272 -14.002 1.201 1.00 0.00 N ATOM 0 H GLN A 52 -3.594 -12.147 -2.949 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.536 -12.218 0.002 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.339 -11.629 -2.042 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.110 -11.696 -0.306 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.111 -14.027 -2.029 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.470 -13.854 -1.437 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.504 -13.331 1.177 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.536 -14.444 2.082 1.00 0.00 H new ATOM 744 N MET A 53 -3.404 -9.753 0.439 1.00 0.00 N ATOM 745 CA MET A 53 -3.538 -8.315 0.690 1.00 0.00 C ATOM 746 C MET A 53 -2.426 -7.853 1.604 1.00 0.00 C ATOM 747 O MET A 53 -2.093 -8.540 2.567 1.00 0.00 O ATOM 748 CB MET A 53 -4.889 -7.985 1.353 1.00 0.00 C ATOM 749 CG MET A 53 -6.047 -8.522 0.506 1.00 0.00 C ATOM 750 SD MET A 53 -7.614 -7.906 1.173 1.00 0.00 S ATOM 751 CE MET A 53 -7.606 -8.876 2.702 1.00 0.00 C ATOM 0 H MET A 53 -3.366 -10.327 1.282 1.00 0.00 H new ATOM 0 HA MET A 53 -3.483 -7.802 -0.270 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.927 -8.422 2.351 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.988 -6.906 1.473 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.931 -8.206 -0.531 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.040 -9.612 0.510 1.00 0.00 H new ATOM 0 HE1 MET A 53 -8.628 -8.994 3.063 1.00 0.00 H new ATOM 0 HE2 MET A 53 -7.174 -9.858 2.508 1.00 0.00 H new ATOM 0 HE3 MET A 53 -7.012 -8.361 3.457 1.00 0.00 H new ATOM 761 N SER A 54 -1.875 -6.678 1.314 1.00 0.00 N ATOM 762 CA SER A 54 -0.821 -6.103 2.140 1.00 0.00 C ATOM 763 C SER A 54 -1.066 -4.623 2.355 1.00 0.00 C ATOM 764 O SER A 54 -1.394 -3.899 1.412 1.00 0.00 O ATOM 765 CB SER A 54 0.543 -6.318 1.488 1.00 0.00 C ATOM 766 OG SER A 54 0.798 -7.713 1.382 1.00 0.00 O ATOM 0 H SER A 54 -2.142 -6.106 0.513 1.00 0.00 H new ATOM 0 HA SER A 54 -0.830 -6.604 3.108 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.564 -5.857 0.501 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.322 -5.838 2.081 1.00 0.00 H new ATOM 0 HG SER A 54 1.738 -7.857 1.144 1.00 0.00 H new ATOM 772 N LEU A 55 -0.885 -4.174 3.596 1.00 0.00 N ATOM 773 CA LEU A 55 -1.072 -2.765 3.936 1.00 0.00 C ATOM 774 C LEU A 55 0.009 -2.296 4.892 1.00 0.00 C ATOM 775 O LEU A 55 0.560 -3.095 5.661 1.00 0.00 O ATOM 776 CB LEU A 55 -2.468 -2.527 4.547 1.00 0.00 C ATOM 777 CG LEU A 55 -2.665 -3.394 5.837 1.00 0.00 C ATOM 778 CD1 LEU A 55 -3.545 -2.643 6.846 1.00 0.00 C ATOM 779 CD2 LEU A 55 -3.344 -4.730 5.478 1.00 0.00 C ATOM 0 H LEU A 55 -0.610 -4.764 4.381 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.997 -2.185 3.016 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.588 -1.471 4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.237 -2.775 3.816 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.687 -3.588 6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.676 -3.254 7.739 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.066 -1.702 7.117 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.518 -2.440 6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.476 -5.325 6.382 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.317 -4.534 5.027 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.720 -5.277 4.771 1.00 0.00 H new ATOM 791 N GLY A 56 0.314 -0.998 4.835 1.00 0.00 N ATOM 792 CA GLY A 56 1.344 -0.417 5.691 1.00 0.00 C ATOM 793 C GLY A 56 1.138 1.076 5.866 1.00 0.00 C ATOM 794 O GLY A 56 0.310 1.686 5.177 1.00 0.00 O ATOM 0 H GLY A 56 -0.137 -0.333 4.207 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.328 -0.905 6.665 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.327 -0.602 5.258 1.00 0.00 H new ATOM 798 N THR A 57 1.875 1.653 6.815 1.00 0.00 N ATOM 799 CA THR A 57 1.761 3.081 7.124 1.00 0.00 C ATOM 800 C THR A 57 3.134 3.741 7.201 1.00 0.00 C ATOM 801 O THR A 57 4.149 3.069 7.412 1.00 0.00 O ATOM 802 CB THR A 57 1.021 3.280 8.459 1.00 0.00 C ATOM 803 OG1 THR A 57 1.763 2.665 9.504 1.00 0.00 O ATOM 804 CG2 THR A 57 -0.377 2.658 8.386 1.00 0.00 C ATOM 0 H THR A 57 2.558 1.154 7.384 1.00 0.00 H new ATOM 0 HA THR A 57 1.195 3.550 6.319 1.00 0.00 H new ATOM 0 HB THR A 57 0.922 4.347 8.657 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.295 2.792 10.356 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.891 2.805 9.336 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.946 3.135 7.588 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.290 1.591 8.182 1.00 0.00 H new ATOM 812 N SER A 58 3.146 5.068 7.062 1.00 0.00 N ATOM 813 CA SER A 58 4.378 5.853 7.148 1.00 0.00 C ATOM 814 C SER A 58 4.938 5.823 8.566 1.00 0.00 C ATOM 815 O SER A 58 4.218 5.504 9.516 1.00 0.00 O ATOM 816 CB SER A 58 4.119 7.299 6.726 1.00 0.00 C ATOM 817 OG SER A 58 5.281 8.077 6.981 1.00 0.00 O ATOM 0 H SER A 58 2.309 5.625 6.888 1.00 0.00 H new ATOM 0 HA SER A 58 5.110 5.410 6.472 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.864 7.341 5.667 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.269 7.704 7.275 1.00 0.00 H new ATOM 0 HG SER A 58 5.119 9.005 6.710 1.00 0.00 H new ATOM 823 N GLU A 59 6.229 6.143 8.696 1.00 0.00 N ATOM 824 CA GLU A 59 6.894 6.154 10.009 1.00 0.00 C ATOM 825 C GLU A 59 6.183 7.109 10.988 1.00 0.00 C ATOM 826 O GLU A 59 6.190 6.884 12.202 1.00 0.00 O ATOM 827 CB GLU A 59 8.376 6.556 9.848 1.00 0.00 C ATOM 828 CG GLU A 59 8.479 7.974 9.251 1.00 0.00 C ATOM 829 CD GLU A 59 9.920 8.283 8.872 1.00 0.00 C ATOM 830 OE1 GLU A 59 10.405 7.680 7.929 1.00 0.00 O ATOM 831 OE2 GLU A 59 10.517 9.118 9.528 1.00 0.00 O ATOM 0 H GLU A 59 6.834 6.397 7.915 1.00 0.00 H new ATOM 0 HA GLU A 59 6.840 5.148 10.425 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.877 6.523 10.816 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.886 5.843 9.201 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.839 8.053 8.372 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.120 8.707 9.973 1.00 0.00 H new ATOM 838 N ASP A 60 5.539 8.150 10.438 1.00 0.00 N ATOM 839 CA ASP A 60 4.780 9.114 11.247 1.00 0.00 C ATOM 840 C ASP A 60 3.284 8.725 11.343 1.00 0.00 C ATOM 841 O ASP A 60 2.503 9.413 12.003 1.00 0.00 O ATOM 842 CB ASP A 60 4.913 10.517 10.651 1.00 0.00 C ATOM 843 CG ASP A 60 6.382 10.929 10.604 1.00 0.00 C ATOM 844 OD1 ASP A 60 7.014 10.679 9.591 1.00 0.00 O ATOM 845 OD2 ASP A 60 6.852 11.488 11.581 1.00 0.00 O ATOM 0 H ASP A 60 5.529 8.345 9.437 1.00 0.00 H new ATOM 0 HA ASP A 60 5.196 9.103 12.254 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.490 10.536 9.647 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.346 11.230 11.249 1.00 0.00 H new ATOM 850 N HIS A 61 2.900 7.612 10.680 1.00 0.00 N ATOM 851 CA HIS A 61 1.512 7.127 10.689 1.00 0.00 C ATOM 852 C HIS A 61 0.550 8.156 10.072 1.00 0.00 C ATOM 853 O HIS A 61 -0.646 8.172 10.387 1.00 0.00 O ATOM 854 CB HIS A 61 1.081 6.780 12.126 1.00 0.00 C ATOM 855 CG HIS A 61 1.945 5.662 12.653 1.00 0.00 C ATOM 856 ND1 HIS A 61 1.490 4.356 12.751 1.00 0.00 N ATOM 857 CD2 HIS A 61 3.248 5.639 13.092 1.00 0.00 C ATOM 858 CE1 HIS A 61 2.502 3.609 13.233 1.00 0.00 C ATOM 859 NE2 HIS A 61 3.595 4.343 13.459 1.00 0.00 N ATOM 0 H HIS A 61 3.538 7.035 10.132 1.00 0.00 H new ATOM 0 HA HIS A 61 1.467 6.226 10.077 1.00 0.00 H new ATOM 0 HB2 HIS A 61 1.172 7.657 12.766 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.033 6.482 12.141 1.00 0.00 H new ATOM 0 HD2 HIS A 61 3.902 6.497 13.144 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.438 2.546 13.415 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.492 4.022 13.823 1.00 0.00 H new ATOM 867 N GLN A 62 1.078 8.983 9.158 1.00 0.00 N ATOM 868 CA GLN A 62 0.273 9.985 8.456 1.00 0.00 C ATOM 869 C GLN A 62 -0.265 9.446 7.116 1.00 0.00 C ATOM 870 O GLN A 62 -1.355 9.831 6.681 1.00 0.00 O ATOM 871 CB GLN A 62 1.079 11.279 8.237 1.00 0.00 C ATOM 872 CG GLN A 62 2.351 10.981 7.435 1.00 0.00 C ATOM 873 CD GLN A 62 3.095 12.280 7.082 1.00 0.00 C ATOM 874 OE1 GLN A 62 2.920 13.311 7.742 1.00 0.00 O ATOM 875 NE2 GLN A 62 3.923 12.288 6.073 1.00 0.00 N ATOM 0 H GLN A 62 2.062 8.975 8.889 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.585 10.215 9.087 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.469 12.011 7.707 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.342 11.720 9.199 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.005 10.328 8.013 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.092 10.446 6.521 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.069 11.439 5.527 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.424 13.143 5.831 1.00 0.00 H new ATOM 884 N HIS A 63 0.498 8.533 6.486 1.00 0.00 N ATOM 885 CA HIS A 63 0.081 7.917 5.214 1.00 0.00 C ATOM 886 C HIS A 63 -0.383 6.480 5.424 1.00 0.00 C ATOM 887 O HIS A 63 0.292 5.688 6.089 1.00 0.00 O ATOM 888 CB HIS A 63 1.223 7.930 4.189 1.00 0.00 C ATOM 889 CG HIS A 63 1.471 9.328 3.691 1.00 0.00 C ATOM 890 ND1 HIS A 63 0.674 9.913 2.720 1.00 0.00 N ATOM 891 CD2 HIS A 63 2.427 10.260 4.001 1.00 0.00 C ATOM 892 CE1 HIS A 63 1.164 11.141 2.480 1.00 0.00 C ATOM 893 NE2 HIS A 63 2.233 11.404 3.235 1.00 0.00 N ATOM 0 H HIS A 63 1.400 8.208 6.835 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.750 8.510 4.831 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.131 7.533 4.643 1.00 0.00 H new ATOM 0 HB3 HIS A 63 0.975 7.278 3.351 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.212 10.126 4.730 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.744 11.831 1.763 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.788 12.260 3.247 1.00 0.00 H new ATOM 901 N PHE A 64 -1.521 6.149 4.819 1.00 0.00 N ATOM 902 CA PHE A 64 -2.079 4.797 4.886 1.00 0.00 C ATOM 903 C PHE A 64 -2.283 4.267 3.477 1.00 0.00 C ATOM 904 O PHE A 64 -2.870 4.950 2.644 1.00 0.00 O ATOM 905 CB PHE A 64 -3.424 4.814 5.633 1.00 0.00 C ATOM 906 CG PHE A 64 -3.209 5.269 7.063 1.00 0.00 C ATOM 907 CD1 PHE A 64 -3.180 6.636 7.363 1.00 0.00 C ATOM 908 CD2 PHE A 64 -3.044 4.326 8.083 1.00 0.00 C ATOM 909 CE1 PHE A 64 -2.983 7.060 8.682 1.00 0.00 C ATOM 910 CE2 PHE A 64 -2.846 4.750 9.403 1.00 0.00 C ATOM 911 CZ PHE A 64 -2.815 6.117 9.702 1.00 0.00 C ATOM 0 H PHE A 64 -2.080 6.803 4.272 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.386 4.150 5.425 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.122 5.483 5.130 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.870 3.820 5.621 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.310 7.364 6.576 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.069 3.271 7.853 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.961 8.115 8.913 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.717 4.022 10.190 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.661 6.444 10.720 1.00 0.00 H new ATOM 921 N THR A 65 -1.777 3.058 3.204 1.00 0.00 N ATOM 922 CA THR A 65 -1.893 2.470 1.857 1.00 0.00 C ATOM 923 C THR A 65 -2.269 0.999 1.907 1.00 0.00 C ATOM 924 O THR A 65 -1.805 0.254 2.781 1.00 0.00 O ATOM 925 CB THR A 65 -0.577 2.654 1.072 1.00 0.00 C ATOM 926 OG1 THR A 65 -0.705 2.068 -0.215 1.00 0.00 O ATOM 927 CG2 THR A 65 0.595 2.001 1.821 1.00 0.00 C ATOM 0 H THR A 65 -1.290 2.473 3.883 1.00 0.00 H new ATOM 0 HA THR A 65 -2.696 2.999 1.343 1.00 0.00 H new ATOM 0 HB THR A 65 -0.376 3.721 0.972 1.00 0.00 H new ATOM 0 HG1 THR A 65 -1.635 2.141 -0.517 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.514 2.141 1.252 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.702 2.463 2.803 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.402 0.935 1.941 1.00 0.00 H new ATOM 935 N CYS A 66 -3.105 0.581 0.942 1.00 0.00 N ATOM 936 CA CYS A 66 -3.544 -0.811 0.850 1.00 0.00 C ATOM 937 C CYS A 66 -3.306 -1.366 -0.554 1.00 0.00 C ATOM 938 O CYS A 66 -3.576 -0.689 -1.551 1.00 0.00 O ATOM 939 CB CYS A 66 -5.024 -0.922 1.237 1.00 0.00 C ATOM 940 SG CYS A 66 -5.222 -0.451 2.986 1.00 0.00 S ATOM 0 H CYS A 66 -3.487 1.190 0.218 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.956 -1.408 1.547 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.628 -0.273 0.603 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.378 -1.941 1.080 1.00 0.00 H new ATOM 945 N THR A 67 -2.773 -2.594 -0.622 1.00 0.00 N ATOM 946 CA THR A 67 -2.465 -3.237 -1.907 1.00 0.00 C ATOM 947 C THR A 67 -3.059 -4.648 -1.955 1.00 0.00 C ATOM 948 O THR A 67 -2.877 -5.436 -1.026 1.00 0.00 O ATOM 949 CB THR A 67 -0.938 -3.303 -2.105 1.00 0.00 C ATOM 950 OG1 THR A 67 -0.395 -1.994 -1.976 1.00 0.00 O ATOM 951 CG2 THR A 67 -0.597 -3.848 -3.506 1.00 0.00 C ATOM 0 H THR A 67 -2.547 -3.161 0.195 1.00 0.00 H new ATOM 0 HA THR A 67 -2.907 -2.646 -2.709 1.00 0.00 H new ATOM 0 HB THR A 67 -0.515 -3.968 -1.352 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.577 -2.029 -2.099 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.485 -3.887 -3.628 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.011 -4.850 -3.617 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.024 -3.192 -4.265 1.00 0.00 H new ATOM 959 N ILE A 68 -3.776 -4.948 -3.040 1.00 0.00 N ATOM 960 CA ILE A 68 -4.409 -6.265 -3.209 1.00 0.00 C ATOM 961 C ILE A 68 -4.095 -6.837 -4.599 1.00 0.00 C ATOM 962 O ILE A 68 -4.365 -6.192 -5.609 1.00 0.00 O ATOM 963 CB ILE A 68 -5.945 -6.147 -3.021 1.00 0.00 C ATOM 964 CG1 ILE A 68 -6.248 -5.528 -1.630 1.00 0.00 C ATOM 965 CG2 ILE A 68 -6.594 -7.555 -3.117 1.00 0.00 C ATOM 966 CD1 ILE A 68 -7.730 -5.155 -1.528 1.00 0.00 C ATOM 0 H ILE A 68 -3.935 -4.302 -3.814 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.008 -6.941 -2.454 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.357 -5.508 -3.802 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.989 -6.238 -0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.631 -4.643 -1.476 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.672 -7.468 -2.985 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.382 -7.987 -4.095 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.183 -8.199 -2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.930 -4.722 -0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.977 -4.429 -2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.340 -6.048 -1.661 1.00 0.00 H new ATOM 978 N TRP A 69 -3.571 -8.070 -4.632 1.00 0.00 N ATOM 979 CA TRP A 69 -3.261 -8.748 -5.905 1.00 0.00 C ATOM 980 C TRP A 69 -3.371 -10.273 -5.749 1.00 0.00 C ATOM 981 O TRP A 69 -3.357 -10.791 -4.625 1.00 0.00 O ATOM 982 CB TRP A 69 -1.847 -8.343 -6.402 1.00 0.00 C ATOM 983 CG TRP A 69 -0.794 -8.835 -5.448 1.00 0.00 C ATOM 984 CD1 TRP A 69 -0.041 -9.943 -5.631 1.00 0.00 C ATOM 985 CD2 TRP A 69 -0.405 -8.280 -4.168 1.00 0.00 C ATOM 986 NE1 TRP A 69 0.805 -10.088 -4.547 1.00 0.00 N ATOM 987 CE2 TRP A 69 0.613 -9.087 -3.616 1.00 0.00 C ATOM 988 CE3 TRP A 69 -0.831 -7.159 -3.444 1.00 0.00 C ATOM 989 CZ2 TRP A 69 1.190 -8.796 -2.385 1.00 0.00 C ATOM 990 CZ3 TRP A 69 -0.253 -6.858 -2.198 1.00 0.00 C ATOM 991 CH2 TRP A 69 0.758 -7.678 -1.672 1.00 0.00 C ATOM 0 H TRP A 69 -3.353 -8.618 -3.800 1.00 0.00 H new ATOM 0 HA TRP A 69 -3.990 -8.433 -6.652 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -1.671 -8.759 -7.394 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -1.784 -7.259 -6.495 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -0.092 -10.605 -6.483 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.486 -10.841 -4.448 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.607 -6.523 -3.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.967 -9.431 -1.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.588 -5.993 -1.644 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.201 -7.443 -0.715 1.00 0.00 H new ATOM 1002 N ARG A 70 -3.474 -10.976 -6.881 1.00 0.00 N ATOM 1003 CA ARG A 70 -3.578 -12.433 -6.870 1.00 0.00 C ATOM 1004 C ARG A 70 -2.174 -13.085 -6.635 1.00 0.00 C ATOM 1005 O ARG A 70 -1.154 -12.468 -6.953 1.00 0.00 O ATOM 1006 CB ARG A 70 -4.222 -12.920 -8.191 1.00 0.00 C ATOM 1007 CG ARG A 70 -3.259 -12.711 -9.359 1.00 0.00 C ATOM 1008 CD ARG A 70 -4.004 -12.778 -10.687 1.00 0.00 C ATOM 1009 NE ARG A 70 -4.919 -11.624 -10.811 1.00 0.00 N ATOM 1010 CZ ARG A 70 -4.489 -10.362 -11.099 1.00 0.00 C ATOM 1011 NH1 ARG A 70 -3.209 -10.097 -11.268 1.00 0.00 N ATOM 1012 NH2 ARG A 70 -5.360 -9.394 -11.213 1.00 0.00 N ATOM 0 H ARG A 70 -3.487 -10.559 -7.812 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.219 -12.742 -6.045 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.482 -13.975 -8.109 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.149 -12.377 -8.373 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.765 -11.744 -9.261 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.479 -13.472 -9.335 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.293 -12.779 -11.513 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.568 -13.709 -10.751 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.918 -11.778 -10.675 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -2.518 -10.843 -11.184 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -2.909 -9.146 -11.483 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.354 -9.585 -11.087 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.046 -8.448 -11.428 1.00 0.00 H new ATOM 1026 N PRO A 71 -2.108 -14.299 -6.062 1.00 0.00 N ATOM 1027 CA PRO A 71 -0.797 -14.988 -5.771 1.00 0.00 C ATOM 1028 C PRO A 71 -0.141 -15.643 -7.005 1.00 0.00 C ATOM 1029 O PRO A 71 1.081 -15.590 -7.169 1.00 0.00 O ATOM 1030 CB PRO A 71 -1.206 -16.062 -4.777 1.00 0.00 C ATOM 1031 CG PRO A 71 -2.592 -16.431 -5.196 1.00 0.00 C ATOM 1032 CD PRO A 71 -3.257 -15.141 -5.625 1.00 0.00 C ATOM 0 HA PRO A 71 -0.049 -14.280 -5.416 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.535 -16.920 -4.817 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.184 -15.688 -3.753 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.573 -17.151 -6.014 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -3.137 -16.896 -4.375 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.969 -15.304 -6.434 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.807 -14.679 -4.805 1.00 0.00 H new ATOM 1040 N GLN A 72 -0.960 -16.307 -7.823 1.00 0.00 N ATOM 1041 CA GLN A 72 -0.477 -17.042 -9.003 1.00 0.00 C ATOM 1042 C GLN A 72 0.106 -16.106 -10.054 1.00 0.00 C ATOM 1043 O GLN A 72 1.061 -16.454 -10.755 1.00 0.00 O ATOM 1044 CB GLN A 72 -1.621 -17.856 -9.613 1.00 0.00 C ATOM 1045 CG GLN A 72 -1.987 -19.010 -8.668 1.00 0.00 C ATOM 1046 CD GLN A 72 -3.262 -19.714 -9.144 1.00 0.00 C ATOM 1047 OE1 GLN A 72 -4.135 -19.092 -9.756 1.00 0.00 O ATOM 1048 NE2 GLN A 72 -3.419 -20.986 -8.897 1.00 0.00 N ATOM 0 H GLN A 72 -1.970 -16.353 -7.691 1.00 0.00 H new ATOM 0 HA GLN A 72 0.319 -17.710 -8.674 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.489 -17.217 -9.778 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.324 -18.248 -10.586 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.165 -19.725 -8.623 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.132 -18.628 -7.658 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.698 -21.500 -8.391 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.263 -21.466 -9.210 1.00 0.00 H new ATOM 1057 N GLY A 73 -0.525 -14.956 -10.196 1.00 0.00 N ATOM 1058 CA GLY A 73 -0.155 -13.967 -11.211 1.00 0.00 C ATOM 1059 C GLY A 73 -1.159 -13.971 -12.378 1.00 0.00 C ATOM 1060 O GLY A 73 -1.287 -12.974 -13.094 1.00 0.00 O ATOM 0 H GLY A 73 -1.312 -14.673 -9.613 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.119 -12.975 -10.761 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.845 -14.183 -11.587 1.00 0.00 H new ATOM 1064 N LYS A 74 -1.913 -15.081 -12.522 1.00 0.00 N ATOM 1065 CA LYS A 74 -2.949 -15.184 -13.547 1.00 0.00 C ATOM 1066 C LYS A 74 -4.194 -15.880 -12.991 1.00 0.00 C ATOM 1067 O LYS A 74 -4.135 -17.045 -12.587 1.00 0.00 O ATOM 1068 CB LYS A 74 -2.427 -15.966 -14.768 1.00 0.00 C ATOM 1069 CG LYS A 74 -1.193 -15.264 -15.383 1.00 0.00 C ATOM 1070 CD LYS A 74 -1.601 -13.954 -16.096 1.00 0.00 C ATOM 1071 CE LYS A 74 -2.360 -14.270 -17.394 1.00 0.00 C ATOM 1072 NZ LYS A 74 -2.658 -13.001 -18.116 1.00 0.00 N ATOM 0 H LYS A 74 -1.817 -15.912 -11.938 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.215 -14.173 -13.856 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.163 -16.981 -14.470 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.215 -16.049 -15.517 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.466 -15.046 -14.600 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.706 -15.932 -16.093 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.227 -13.353 -15.437 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -0.714 -13.362 -16.320 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.764 -14.929 -18.025 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.286 -14.798 -17.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.172 -13.214 -18.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.243 -12.388 -17.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.768 -12.514 -18.345 1.00 0.00 H new ATOM 1086 N SER A 75 -5.324 -15.168 -13.019 1.00 0.00 N ATOM 1087 CA SER A 75 -6.610 -15.717 -12.564 1.00 0.00 C ATOM 1088 C SER A 75 -7.608 -15.763 -13.718 1.00 0.00 C ATOM 1089 O SER A 75 -7.646 -14.846 -14.543 1.00 0.00 O ATOM 1090 CB SER A 75 -7.172 -14.865 -11.413 1.00 0.00 C ATOM 1091 OG SER A 75 -6.368 -15.028 -10.235 1.00 0.00 O ATOM 0 H SER A 75 -5.377 -14.206 -13.353 1.00 0.00 H new ATOM 0 HA SER A 75 -6.446 -16.733 -12.205 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.193 -13.815 -11.705 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.201 -15.158 -11.203 1.00 0.00 H new ATOM 0 HG SER A 75 -6.820 -15.635 -9.612 1.00 0.00 H new ATOM 1097 N TYR A 76 -8.418 -16.839 -13.780 1.00 0.00 N ATOM 1098 CA TYR A 76 -9.411 -16.981 -14.856 1.00 0.00 C ATOM 1099 C TYR A 76 -10.845 -16.858 -14.319 1.00 0.00 C ATOM 1100 O TYR A 76 -11.506 -17.860 -14.017 1.00 0.00 O ATOM 1101 CB TYR A 76 -9.231 -18.334 -15.570 1.00 0.00 C ATOM 1102 CG TYR A 76 -7.877 -18.381 -16.245 1.00 0.00 C ATOM 1103 CD1 TYR A 76 -6.773 -18.912 -15.566 1.00 0.00 C ATOM 1104 CD2 TYR A 76 -7.728 -17.895 -17.549 1.00 0.00 C ATOM 1105 CE1 TYR A 76 -5.522 -18.956 -16.191 1.00 0.00 C ATOM 1106 CE2 TYR A 76 -6.477 -17.938 -18.174 1.00 0.00 C ATOM 1107 CZ TYR A 76 -5.373 -18.469 -17.496 1.00 0.00 C ATOM 1108 OH TYR A 76 -4.140 -18.512 -18.111 1.00 0.00 O ATOM 0 H TYR A 76 -8.404 -17.608 -13.110 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.248 -16.172 -15.568 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -9.318 -19.149 -14.852 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.021 -18.474 -16.308 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -6.887 -19.288 -14.560 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -8.579 -17.486 -18.073 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.671 -19.366 -15.667 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.363 -17.561 -19.180 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.211 -18.136 -19.013 1.00 0.00 H new ATOM 1118 N LEU A 77 -11.335 -15.616 -14.261 1.00 0.00 N ATOM 1119 CA LEU A 77 -12.708 -15.333 -13.838 1.00 0.00 C ATOM 1120 C LEU A 77 -13.308 -14.203 -14.660 1.00 0.00 C ATOM 1121 O LEU A 77 -12.595 -13.273 -15.059 1.00 0.00 O ATOM 1122 CB LEU A 77 -12.771 -14.983 -12.341 1.00 0.00 C ATOM 1123 CG LEU A 77 -12.565 -16.243 -11.485 1.00 0.00 C ATOM 1124 CD1 LEU A 77 -12.340 -15.829 -10.029 1.00 0.00 C ATOM 1125 CD2 LEU A 77 -13.820 -17.133 -11.560 1.00 0.00 C ATOM 0 H LEU A 77 -10.795 -14.785 -14.504 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.293 -16.238 -14.005 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.006 -14.244 -12.102 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -13.735 -14.531 -12.107 1.00 0.00 H new ATOM 0 HG LEU A 77 -11.702 -16.795 -11.857 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.193 -16.718 -9.416 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.457 -15.194 -9.964 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.210 -15.280 -9.668 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.670 -18.025 -10.952 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -14.681 -16.580 -11.186 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -13.998 -17.425 -12.595 1.00 0.00 H new ATOM 1137 N TYR A 78 -14.630 -14.249 -14.854 1.00 0.00 N ATOM 1138 CA TYR A 78 -15.332 -13.185 -15.561 1.00 0.00 C ATOM 1139 C TYR A 78 -15.868 -12.189 -14.543 1.00 0.00 C ATOM 1140 O TYR A 78 -16.930 -12.401 -13.957 1.00 0.00 O ATOM 1141 CB TYR A 78 -16.482 -13.772 -16.393 1.00 0.00 C ATOM 1142 CG TYR A 78 -17.084 -12.696 -17.275 1.00 0.00 C ATOM 1143 CD1 TYR A 78 -16.479 -12.378 -18.496 1.00 0.00 C ATOM 1144 CD2 TYR A 78 -18.245 -12.023 -16.871 1.00 0.00 C ATOM 1145 CE1 TYR A 78 -17.034 -11.386 -19.314 1.00 0.00 C ATOM 1146 CE2 TYR A 78 -18.799 -11.031 -17.689 1.00 0.00 C ATOM 1147 CZ TYR A 78 -18.193 -10.713 -18.911 1.00 0.00 C ATOM 1148 OH TYR A 78 -18.740 -9.735 -19.718 1.00 0.00 O ATOM 0 H TYR A 78 -15.229 -15.009 -14.531 1.00 0.00 H new ATOM 0 HA TYR A 78 -14.646 -12.678 -16.239 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -16.115 -14.594 -17.007 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -17.246 -14.183 -15.733 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -15.585 -12.897 -18.807 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -18.712 -12.270 -15.929 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -16.567 -11.140 -20.256 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -19.693 -10.511 -17.378 1.00 0.00 H new ATOM 0 HH TYR A 78 -19.542 -9.369 -19.291 1.00 0.00 H new ATOM 1158 N PHE A 79 -15.096 -11.126 -14.306 1.00 0.00 N ATOM 1159 CA PHE A 79 -15.451 -10.120 -13.309 1.00 0.00 C ATOM 1160 C PHE A 79 -16.492 -9.158 -13.849 1.00 0.00 C ATOM 1161 O PHE A 79 -16.367 -8.671 -14.972 1.00 0.00 O ATOM 1162 CB PHE A 79 -14.205 -9.332 -12.890 1.00 0.00 C ATOM 1163 CG PHE A 79 -13.248 -10.237 -12.151 1.00 0.00 C ATOM 1164 CD1 PHE A 79 -12.228 -10.896 -12.850 1.00 0.00 C ATOM 1165 CD2 PHE A 79 -13.377 -10.417 -10.769 1.00 0.00 C ATOM 1166 CE1 PHE A 79 -11.339 -11.733 -12.167 1.00 0.00 C ATOM 1167 CE2 PHE A 79 -12.486 -11.256 -10.085 1.00 0.00 C ATOM 1168 CZ PHE A 79 -11.468 -11.913 -10.784 1.00 0.00 C ATOM 0 H PHE A 79 -14.219 -10.942 -14.794 1.00 0.00 H new ATOM 0 HA PHE A 79 -15.868 -10.638 -12.446 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -13.717 -8.913 -13.770 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -14.491 -8.494 -12.254 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.128 -10.758 -13.916 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -14.163 -9.910 -10.229 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -10.553 -12.241 -12.706 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -12.586 -11.395 -9.019 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.781 -12.559 -10.257 1.00 0.00 H new ATOM 1178 N THR A 80 -17.507 -8.866 -13.025 1.00 0.00 N ATOM 1179 CA THR A 80 -18.547 -7.915 -13.410 1.00 0.00 C ATOM 1180 C THR A 80 -17.992 -6.486 -13.342 1.00 0.00 C ATOM 1181 O THR A 80 -18.218 -5.682 -14.244 1.00 0.00 O ATOM 1182 CB THR A 80 -19.775 -8.068 -12.485 1.00 0.00 C ATOM 1183 OG1 THR A 80 -20.260 -9.402 -12.572 1.00 0.00 O ATOM 1184 CG2 THR A 80 -20.894 -7.098 -12.908 1.00 0.00 C ATOM 0 H THR A 80 -17.626 -9.272 -12.097 1.00 0.00 H new ATOM 0 HA THR A 80 -18.862 -8.120 -14.433 1.00 0.00 H new ATOM 0 HB THR A 80 -19.476 -7.839 -11.462 1.00 0.00 H new ATOM 0 HG1 THR A 80 -21.038 -9.506 -11.986 1.00 0.00 H new ATOM 0 HG21 THR A 80 -21.751 -7.220 -12.245 1.00 0.00 H new ATOM 0 HG22 THR A 80 -20.530 -6.073 -12.845 1.00 0.00 H new ATOM 0 HG23 THR A 80 -21.195 -7.314 -13.933 1.00 0.00 H new ATOM 1192 N GLN A 81 -17.245 -6.197 -12.264 1.00 0.00 N ATOM 1193 CA GLN A 81 -16.624 -4.874 -12.060 1.00 0.00 C ATOM 1194 C GLN A 81 -15.887 -4.825 -10.729 1.00 0.00 C ATOM 1195 O GLN A 81 -16.018 -5.738 -9.907 1.00 0.00 O ATOM 1196 CB GLN A 81 -17.669 -3.737 -12.127 1.00 0.00 C ATOM 1197 CG GLN A 81 -18.786 -3.978 -11.101 1.00 0.00 C ATOM 1198 CD GLN A 81 -19.869 -2.920 -11.256 1.00 0.00 C ATOM 1199 OE1 GLN A 81 -19.596 -1.733 -11.122 1.00 0.00 O ATOM 1200 NE2 GLN A 81 -21.088 -3.284 -11.537 1.00 0.00 N ATOM 0 H GLN A 81 -17.055 -6.864 -11.516 1.00 0.00 H new ATOM 0 HA GLN A 81 -15.909 -4.724 -12.869 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.187 -2.779 -11.932 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.093 -3.682 -13.130 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -19.213 -4.971 -11.242 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -18.377 -3.947 -10.091 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -21.312 -4.273 -11.648 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -21.818 -2.580 -11.646 1.00 0.00 H new ATOM 1209 N PHE A 82 -15.115 -3.751 -10.519 1.00 0.00 N ATOM 1210 CA PHE A 82 -14.360 -3.583 -9.272 1.00 0.00 C ATOM 1211 C PHE A 82 -14.626 -2.220 -8.660 1.00 0.00 C ATOM 1212 O PHE A 82 -14.784 -1.227 -9.379 1.00 0.00 O ATOM 1213 CB PHE A 82 -12.865 -3.694 -9.525 1.00 0.00 C ATOM 1214 CG PHE A 82 -12.510 -5.048 -10.104 1.00 0.00 C ATOM 1215 CD1 PHE A 82 -12.470 -5.224 -11.492 1.00 0.00 C ATOM 1216 CD2 PHE A 82 -12.209 -6.120 -9.255 1.00 0.00 C ATOM 1217 CE1 PHE A 82 -12.131 -6.468 -12.032 1.00 0.00 C ATOM 1218 CE2 PHE A 82 -11.871 -7.367 -9.795 1.00 0.00 C ATOM 1219 CZ PHE A 82 -11.831 -7.542 -11.185 1.00 0.00 C ATOM 0 H PHE A 82 -14.998 -2.992 -11.190 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.685 -4.371 -8.593 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -12.550 -2.908 -10.211 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -12.323 -3.540 -8.592 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -12.701 -4.397 -12.147 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -12.238 -5.985 -8.184 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -12.100 -6.601 -13.103 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.641 -8.194 -9.140 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.569 -8.503 -11.602 1.00 0.00 H new ATOM 1229 N LYS A 83 -14.639 -2.170 -7.324 1.00 0.00 N ATOM 1230 CA LYS A 83 -14.846 -0.913 -6.605 1.00 0.00 C ATOM 1231 C LYS A 83 -13.962 -0.871 -5.367 1.00 0.00 C ATOM 1232 O LYS A 83 -13.721 -1.907 -4.737 1.00 0.00 O ATOM 1233 CB LYS A 83 -16.315 -0.767 -6.201 1.00 0.00 C ATOM 1234 CG LYS A 83 -17.178 -0.814 -7.452 1.00 0.00 C ATOM 1235 CD LYS A 83 -18.640 -0.655 -7.069 1.00 0.00 C ATOM 1236 CE LYS A 83 -19.476 -0.715 -8.329 1.00 0.00 C ATOM 1237 NZ LYS A 83 -20.919 -0.573 -7.981 1.00 0.00 N ATOM 0 H LYS A 83 -14.509 -2.983 -6.722 1.00 0.00 H new ATOM 0 HA LYS A 83 -14.579 -0.086 -7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -16.599 -1.567 -5.517 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -16.469 0.174 -5.672 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -16.883 -0.021 -8.139 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -17.029 -1.759 -7.974 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.939 -1.444 -6.378 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -18.796 0.294 -6.556 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -19.177 0.079 -9.014 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -19.307 -1.661 -8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -21.435 -0.180 -8.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -21.311 -1.505 -7.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -21.018 0.066 -7.167 1.00 0.00 H new ATOM 1251 N ALA A 84 -13.482 0.327 -5.017 1.00 0.00 N ATOM 1252 CA ALA A 84 -12.626 0.494 -3.842 1.00 0.00 C ATOM 1253 C ALA A 84 -12.902 1.821 -3.152 1.00 0.00 C ATOM 1254 O ALA A 84 -13.162 2.826 -3.815 1.00 0.00 O ATOM 1255 CB ALA A 84 -11.155 0.418 -4.252 1.00 0.00 C ATOM 0 H ALA A 84 -13.671 1.189 -5.528 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.848 -0.311 -3.141 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.525 0.543 -3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.954 -0.552 -4.707 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -10.936 1.208 -4.970 1.00 0.00 H new ATOM 1261 N GLU A 85 -12.830 1.819 -1.814 1.00 0.00 N ATOM 1262 CA GLU A 85 -13.048 3.034 -1.031 1.00 0.00 C ATOM 1263 C GLU A 85 -12.357 2.928 0.337 1.00 0.00 C ATOM 1264 O GLU A 85 -11.937 1.844 0.731 1.00 0.00 O ATOM 1265 CB GLU A 85 -14.559 3.306 -0.879 1.00 0.00 C ATOM 1266 CG GLU A 85 -15.235 2.171 -0.092 1.00 0.00 C ATOM 1267 CD GLU A 85 -16.732 2.439 0.013 1.00 0.00 C ATOM 1268 OE1 GLU A 85 -17.455 1.986 -0.852 1.00 0.00 O ATOM 1269 OE2 GLU A 85 -17.132 3.108 0.952 1.00 0.00 O ATOM 0 H GLU A 85 -12.623 0.990 -1.256 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.604 3.878 -1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.714 4.255 -0.365 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.019 3.398 -1.863 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.061 1.217 -0.589 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.799 2.096 0.904 1.00 0.00 H new ATOM 1276 N VAL A 86 -12.233 4.060 1.043 1.00 0.00 N ATOM 1277 CA VAL A 86 -11.579 4.078 2.368 1.00 0.00 C ATOM 1278 C VAL A 86 -12.435 4.794 3.406 1.00 0.00 C ATOM 1279 O VAL A 86 -13.303 5.600 3.057 1.00 0.00 O ATOM 1280 CB VAL A 86 -10.191 4.747 2.289 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -9.284 3.943 1.358 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -10.319 6.184 1.755 1.00 0.00 C ATOM 0 H VAL A 86 -12.572 4.969 0.727 1.00 0.00 H new ATOM 0 HA VAL A 86 -11.457 3.040 2.679 1.00 0.00 H new ATOM 0 HB VAL A 86 -9.760 4.775 3.290 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -8.305 4.418 1.304 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -9.175 2.929 1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.725 3.907 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -9.332 6.643 1.705 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -10.761 6.164 0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -10.956 6.765 2.422 1.00 0.00 H new ATOM 1292 N ARG A 87 -12.168 4.505 4.689 1.00 0.00 N ATOM 1293 CA ARG A 87 -12.904 5.142 5.789 1.00 0.00 C ATOM 1294 C ARG A 87 -11.948 5.731 6.813 1.00 0.00 C ATOM 1295 O ARG A 87 -10.920 5.125 7.145 1.00 0.00 O ATOM 1296 CB ARG A 87 -13.839 4.133 6.476 1.00 0.00 C ATOM 1297 CG ARG A 87 -14.855 3.574 5.470 1.00 0.00 C ATOM 1298 CD ARG A 87 -15.920 4.631 5.140 1.00 0.00 C ATOM 1299 NE ARG A 87 -16.749 4.912 6.329 1.00 0.00 N ATOM 1300 CZ ARG A 87 -17.673 5.907 6.373 1.00 0.00 C ATOM 1301 NH1 ARG A 87 -17.879 6.699 5.340 1.00 0.00 N ATOM 1302 NH2 ARG A 87 -18.375 6.079 7.459 1.00 0.00 N ATOM 0 H ARG A 87 -11.454 3.840 4.987 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.503 5.947 5.363 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -13.254 3.318 6.903 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -14.363 4.616 7.301 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -14.342 3.268 4.558 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -15.332 2.684 5.881 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -15.439 5.548 4.799 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -16.551 4.279 4.324 1.00 0.00 H new ATOM 0 HE ARG A 87 -16.622 4.331 7.158 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -17.339 6.572 4.484 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -18.578 7.439 5.396 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -18.227 5.470 8.264 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -19.072 6.823 7.504 1.00 0.00 H new ATOM 1316 N GLY A 88 -12.293 6.924 7.307 1.00 0.00 N ATOM 1317 CA GLY A 88 -11.469 7.622 8.297 1.00 0.00 C ATOM 1318 C GLY A 88 -10.275 8.351 7.647 1.00 0.00 C ATOM 1319 O GLY A 88 -9.456 8.946 8.350 1.00 0.00 O ATOM 0 H GLY A 88 -13.138 7.427 7.037 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.084 8.343 8.836 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.100 6.906 9.031 1.00 0.00 H new ATOM 1323 N ALA A 89 -10.177 8.283 6.304 1.00 0.00 N ATOM 1324 CA ALA A 89 -9.075 8.909 5.577 1.00 0.00 C ATOM 1325 C ALA A 89 -9.505 9.311 4.169 1.00 0.00 C ATOM 1326 O ALA A 89 -10.475 8.772 3.628 1.00 0.00 O ATOM 1327 CB ALA A 89 -7.883 7.942 5.500 1.00 0.00 C ATOM 0 H ALA A 89 -10.851 7.800 5.710 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.780 9.809 6.116 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.065 8.415 4.957 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.552 7.691 6.508 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.185 7.033 4.981 1.00 0.00 H new ATOM 1333 N GLU A 90 -8.744 10.229 3.571 1.00 0.00 N ATOM 1334 CA GLU A 90 -9.004 10.682 2.203 1.00 0.00 C ATOM 1335 C GLU A 90 -7.983 10.064 1.250 1.00 0.00 C ATOM 1336 O GLU A 90 -6.835 9.818 1.636 1.00 0.00 O ATOM 1337 CB GLU A 90 -8.955 12.224 2.118 1.00 0.00 C ATOM 1338 CG GLU A 90 -7.591 12.751 2.605 1.00 0.00 C ATOM 1339 CD GLU A 90 -7.582 14.275 2.586 1.00 0.00 C ATOM 1340 OE1 GLU A 90 -8.007 14.841 1.592 1.00 0.00 O ATOM 1341 OE2 GLU A 90 -7.151 14.857 3.569 1.00 0.00 O ATOM 0 H GLU A 90 -7.940 10.675 4.014 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.004 10.359 1.912 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -9.128 12.543 1.090 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.754 12.653 2.723 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.392 12.391 3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.795 12.367 1.967 1.00 0.00 H new ATOM 1348 N ILE A 91 -8.421 9.777 0.020 1.00 0.00 N ATOM 1349 CA ILE A 91 -7.553 9.135 -0.976 1.00 0.00 C ATOM 1350 C ILE A 91 -6.762 10.190 -1.753 1.00 0.00 C ATOM 1351 O ILE A 91 -7.344 11.041 -2.434 1.00 0.00 O ATOM 1352 CB ILE A 91 -8.405 8.263 -1.947 1.00 0.00 C ATOM 1353 CG1 ILE A 91 -9.175 7.193 -1.133 1.00 0.00 C ATOM 1354 CG2 ILE A 91 -7.479 7.553 -2.964 1.00 0.00 C ATOM 1355 CD1 ILE A 91 -10.244 6.516 -2.009 1.00 0.00 C ATOM 0 H ILE A 91 -9.365 9.977 -0.310 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.844 8.488 -0.459 1.00 0.00 H new ATOM 0 HB ILE A 91 -9.108 8.903 -2.480 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.479 6.444 -0.755 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -9.647 7.656 -0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.080 6.945 -3.640 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -6.929 8.299 -3.538 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.775 6.914 -2.431 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.775 5.767 -1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -10.950 7.266 -2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -9.765 6.035 -2.861 1.00 0.00 H new ATOM 1367 N GLU A 92 -5.429 10.097 -1.669 1.00 0.00 N ATOM 1368 CA GLU A 92 -4.546 11.012 -2.388 1.00 0.00 C ATOM 1369 C GLU A 92 -4.354 10.530 -3.819 1.00 0.00 C ATOM 1370 O GLU A 92 -4.392 11.328 -4.764 1.00 0.00 O ATOM 1371 CB GLU A 92 -3.177 11.093 -1.696 1.00 0.00 C ATOM 1372 CG GLU A 92 -3.333 11.626 -0.269 1.00 0.00 C ATOM 1373 CD GLU A 92 -1.962 11.746 0.391 1.00 0.00 C ATOM 1374 OE1 GLU A 92 -1.209 10.789 0.323 1.00 0.00 O ATOM 1375 OE2 GLU A 92 -1.687 12.792 0.953 1.00 0.00 O ATOM 0 H GLU A 92 -4.942 9.396 -1.110 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.005 12.001 -2.391 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.714 10.106 -1.674 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.513 11.744 -2.264 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.825 12.599 -0.286 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.969 10.957 0.311 1.00 0.00 H new ATOM 1382 N TYR A 93 -4.168 9.208 -3.974 1.00 0.00 N ATOM 1383 CA TYR A 93 -3.996 8.609 -5.290 1.00 0.00 C ATOM 1384 C TYR A 93 -4.243 7.098 -5.243 1.00 0.00 C ATOM 1385 O TYR A 93 -3.586 6.374 -4.499 1.00 0.00 O ATOM 1386 CB TYR A 93 -2.581 8.899 -5.804 1.00 0.00 C ATOM 1387 CG TYR A 93 -2.463 8.505 -7.264 1.00 0.00 C ATOM 1388 CD1 TYR A 93 -3.105 9.268 -8.245 1.00 0.00 C ATOM 1389 CD2 TYR A 93 -1.705 7.386 -7.633 1.00 0.00 C ATOM 1390 CE1 TYR A 93 -2.993 8.913 -9.594 1.00 0.00 C ATOM 1391 CE2 TYR A 93 -1.592 7.032 -8.982 1.00 0.00 C ATOM 1392 CZ TYR A 93 -2.236 7.795 -9.963 1.00 0.00 C ATOM 1393 OH TYR A 93 -2.125 7.446 -11.293 1.00 0.00 O ATOM 0 H TYR A 93 -4.134 8.543 -3.201 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.726 9.047 -5.970 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.353 9.958 -5.686 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.851 8.348 -5.211 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.688 10.132 -7.961 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.208 6.797 -6.876 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.491 9.502 -10.350 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.008 6.170 -9.266 1.00 0.00 H new ATOM 0 HH TYR A 93 -1.564 6.647 -11.376 1.00 0.00 H new ATOM 1403 N ALA A 94 -5.178 6.645 -6.070 1.00 0.00 N ATOM 1404 CA ALA A 94 -5.529 5.241 -6.179 1.00 0.00 C ATOM 1405 C ALA A 94 -5.425 4.785 -7.639 1.00 0.00 C ATOM 1406 O ALA A 94 -5.871 5.494 -8.547 1.00 0.00 O ATOM 1407 CB ALA A 94 -6.960 5.037 -5.682 1.00 0.00 C ATOM 0 H ALA A 94 -5.717 7.251 -6.688 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.841 4.652 -5.573 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.226 3.983 -5.763 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.032 5.351 -4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.644 5.632 -6.288 1.00 0.00 H new ATOM 1413 N MET A 95 -4.838 3.601 -7.855 1.00 0.00 N ATOM 1414 CA MET A 95 -4.675 3.051 -9.202 1.00 0.00 C ATOM 1415 C MET A 95 -4.678 1.525 -9.176 1.00 0.00 C ATOM 1416 O MET A 95 -4.483 0.910 -8.122 1.00 0.00 O ATOM 1417 CB MET A 95 -3.374 3.575 -9.854 1.00 0.00 C ATOM 1418 CG MET A 95 -2.156 3.167 -9.008 1.00 0.00 C ATOM 1419 SD MET A 95 -0.639 3.750 -9.801 1.00 0.00 S ATOM 1420 CE MET A 95 0.511 3.155 -8.538 1.00 0.00 C ATOM 0 H MET A 95 -4.469 3.007 -7.112 1.00 0.00 H new ATOM 0 HA MET A 95 -5.522 3.383 -9.802 1.00 0.00 H new ATOM 0 HB2 MET A 95 -3.277 3.174 -10.863 1.00 0.00 H new ATOM 0 HB3 MET A 95 -3.416 4.660 -9.945 1.00 0.00 H new ATOM 0 HG2 MET A 95 -2.239 3.589 -8.006 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.126 2.083 -8.896 1.00 0.00 H new ATOM 0 HE1 MET A 95 1.530 3.199 -8.923 1.00 0.00 H new ATOM 0 HE2 MET A 95 0.432 3.781 -7.650 1.00 0.00 H new ATOM 0 HE3 MET A 95 0.266 2.125 -8.279 1.00 0.00 H new ATOM 1430 N ALA A 96 -4.886 0.929 -10.346 1.00 0.00 N ATOM 1431 CA ALA A 96 -4.902 -0.522 -10.488 1.00 0.00 C ATOM 1432 C ALA A 96 -4.077 -0.930 -11.698 1.00 0.00 C ATOM 1433 O ALA A 96 -3.976 -0.172 -12.662 1.00 0.00 O ATOM 1434 CB ALA A 96 -6.340 -1.018 -10.645 1.00 0.00 C ATOM 0 H ALA A 96 -5.047 1.435 -11.217 1.00 0.00 H new ATOM 0 HA ALA A 96 -4.470 -0.971 -9.594 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.341 -2.103 -10.750 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.919 -0.738 -9.765 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.786 -0.567 -11.532 1.00 0.00 H new ATOM 1440 N TYR A 97 -3.468 -2.121 -11.635 1.00 0.00 N ATOM 1441 CA TYR A 97 -2.631 -2.614 -12.742 1.00 0.00 C ATOM 1442 C TYR A 97 -3.204 -3.881 -13.361 1.00 0.00 C ATOM 1443 O TYR A 97 -3.222 -4.940 -12.725 1.00 0.00 O ATOM 1444 CB TYR A 97 -1.205 -2.876 -12.257 1.00 0.00 C ATOM 1445 CG TYR A 97 -0.531 -1.567 -11.916 1.00 0.00 C ATOM 1446 CD1 TYR A 97 -0.576 -1.072 -10.607 1.00 0.00 C ATOM 1447 CD2 TYR A 97 0.141 -0.852 -12.913 1.00 0.00 C ATOM 1448 CE1 TYR A 97 0.054 0.141 -10.298 1.00 0.00 C ATOM 1449 CE2 TYR A 97 0.769 0.359 -12.604 1.00 0.00 C ATOM 1450 CZ TYR A 97 0.728 0.855 -11.299 1.00 0.00 C ATOM 1451 OH TYR A 97 1.350 2.048 -10.997 1.00 0.00 O ATOM 0 H TYR A 97 -3.536 -2.756 -10.840 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.617 -1.839 -13.509 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.222 -3.525 -11.382 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.639 -3.397 -13.029 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.095 -1.624 -9.837 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.175 -1.235 -13.922 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.020 0.526 -9.289 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.286 0.911 -13.375 1.00 0.00 H new ATOM 0 HH TYR A 97 0.703 2.781 -11.064 1.00 0.00 H new ATOM 1461 N SER A 98 -3.634 -3.773 -14.626 1.00 0.00 N ATOM 1462 CA SER A 98 -4.167 -4.922 -15.362 1.00 0.00 C ATOM 1463 C SER A 98 -3.091 -5.980 -15.552 1.00 0.00 C ATOM 1464 O SER A 98 -3.354 -7.180 -15.423 1.00 0.00 O ATOM 1465 CB SER A 98 -4.695 -4.478 -16.724 1.00 0.00 C ATOM 1466 OG SER A 98 -5.821 -3.635 -16.539 1.00 0.00 O ATOM 0 H SER A 98 -3.622 -2.903 -15.158 1.00 0.00 H new ATOM 0 HA SER A 98 -4.985 -5.350 -14.782 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.917 -3.949 -17.274 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.971 -5.347 -17.321 1.00 0.00 H new ATOM 0 HG SER A 98 -6.634 -4.112 -16.808 1.00 0.00 H new ATOM 1472 N LYS A 99 -1.874 -5.519 -15.859 1.00 0.00 N ATOM 1473 CA LYS A 99 -0.738 -6.414 -16.068 1.00 0.00 C ATOM 1474 C LYS A 99 0.541 -5.783 -15.522 1.00 0.00 C ATOM 1475 O LYS A 99 0.853 -4.626 -15.823 1.00 0.00 O ATOM 1476 CB LYS A 99 -0.578 -6.723 -17.572 1.00 0.00 C ATOM 1477 CG LYS A 99 0.518 -7.787 -17.792 1.00 0.00 C ATOM 1478 CD LYS A 99 -0.004 -9.170 -17.374 1.00 0.00 C ATOM 1479 CE LYS A 99 1.071 -10.229 -17.637 1.00 0.00 C ATOM 1480 NZ LYS A 99 1.216 -10.444 -19.106 1.00 0.00 N ATOM 0 H LYS A 99 -1.653 -4.529 -15.968 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.923 -7.346 -15.533 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.525 -7.078 -17.979 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.321 -5.811 -18.111 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.816 -7.803 -18.840 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.405 -7.533 -17.212 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.272 -9.164 -16.317 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.910 -9.411 -17.931 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.022 -9.909 -17.211 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.801 -11.165 -17.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.731 -11.331 -19.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.274 -10.500 -19.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.744 -9.651 -19.522 1.00 0.00 H new ATOM 1494 N ALA A 100 1.282 -6.564 -14.735 1.00 0.00 N ATOM 1495 CA ALA A 100 2.544 -6.107 -14.154 1.00 0.00 C ATOM 1496 C ALA A 100 3.676 -6.278 -15.156 1.00 0.00 C ATOM 1497 O ALA A 100 3.708 -7.266 -15.900 1.00 0.00 O ATOM 1498 CB ALA A 100 2.854 -6.894 -12.880 1.00 0.00 C ATOM 0 H ALA A 100 1.028 -7.520 -14.485 1.00 0.00 H new ATOM 0 HA ALA A 100 2.450 -5.050 -13.903 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.796 -6.545 -12.457 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.053 -6.744 -12.156 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.934 -7.955 -13.118 1.00 0.00 H new ATOM 1599 N ASP A 107 4.292 -2.563 -18.175 1.00 0.00 N ATOM 1600 CA ASP A 107 3.278 -2.406 -17.120 1.00 0.00 C ATOM 1601 C ASP A 107 2.072 -1.627 -17.645 1.00 0.00 C ATOM 1602 O ASP A 107 2.199 -0.451 -18.006 1.00 0.00 O ATOM 1603 CB ASP A 107 3.879 -1.668 -15.909 1.00 0.00 C ATOM 1604 CG ASP A 107 2.901 -1.654 -14.721 1.00 0.00 C ATOM 1605 OD1 ASP A 107 2.064 -2.548 -14.635 1.00 0.00 O ATOM 1606 OD2 ASP A 107 3.010 -0.751 -13.912 1.00 0.00 O ATOM 0 HA ASP A 107 2.951 -3.399 -16.811 1.00 0.00 H new ATOM 0 HB2 ASP A 107 4.809 -2.151 -15.611 1.00 0.00 H new ATOM 0 HB3 ASP A 107 4.127 -0.645 -16.191 1.00 0.00 H new ATOM 1611 N VAL A 108 0.906 -2.290 -17.701 1.00 0.00 N ATOM 1612 CA VAL A 108 -0.321 -1.647 -18.206 1.00 0.00 C ATOM 1613 C VAL A 108 -1.270 -1.262 -17.023 1.00 0.00 C ATOM 1614 O VAL A 108 -1.906 -2.145 -16.442 1.00 0.00 O ATOM 1615 CB VAL A 108 -1.053 -2.618 -19.177 1.00 0.00 C ATOM 1616 CG1 VAL A 108 -2.325 -1.958 -19.739 1.00 0.00 C ATOM 1617 CG2 VAL A 108 -0.125 -2.984 -20.347 1.00 0.00 C ATOM 0 H VAL A 108 0.785 -3.259 -17.407 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.047 -0.736 -18.737 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.326 -3.516 -18.623 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.825 -2.650 -20.416 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.996 -1.704 -18.918 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.056 -1.051 -20.281 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.643 -3.664 -21.023 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.155 -2.079 -20.886 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.772 -3.469 -19.962 1.00 0.00 H new ATOM 1627 N PRO A 109 -1.414 0.048 -16.683 1.00 0.00 N ATOM 1628 CA PRO A 109 -2.342 0.500 -15.599 1.00 0.00 C ATOM 1629 C PRO A 109 -3.764 0.771 -16.117 1.00 0.00 C ATOM 1630 O PRO A 109 -3.946 1.198 -17.261 1.00 0.00 O ATOM 1631 CB PRO A 109 -1.689 1.789 -15.130 1.00 0.00 C ATOM 1632 CG PRO A 109 -1.147 2.396 -16.387 1.00 0.00 C ATOM 1633 CD PRO A 109 -0.711 1.224 -17.281 1.00 0.00 C ATOM 0 HA PRO A 109 -2.472 -0.250 -14.819 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.409 2.449 -14.646 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -0.897 1.596 -14.406 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.904 3.003 -16.884 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -0.305 3.053 -16.169 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -1.003 1.381 -18.319 1.00 0.00 H new ATOM 0 HD3 PRO A 109 0.371 1.092 -17.271 1.00 0.00 H new ATOM 1641 N LEU A 110 -4.755 0.570 -15.242 1.00 0.00 N ATOM 1642 CA LEU A 110 -6.163 0.844 -15.573 1.00 0.00 C ATOM 1643 C LEU A 110 -6.486 2.327 -15.441 1.00 0.00 C ATOM 1644 O LEU A 110 -5.899 3.031 -14.614 1.00 0.00 O ATOM 1645 CB LEU A 110 -7.104 0.039 -14.668 1.00 0.00 C ATOM 1646 CG LEU A 110 -7.066 -1.449 -15.050 1.00 0.00 C ATOM 1647 CD1 LEU A 110 -7.742 -2.269 -13.952 1.00 0.00 C ATOM 1648 CD2 LEU A 110 -7.830 -1.662 -16.366 1.00 0.00 C ATOM 0 H LEU A 110 -4.610 0.218 -14.296 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.314 0.542 -16.610 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.810 0.162 -13.625 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.121 0.419 -14.759 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.029 -1.764 -15.169 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.717 -3.325 -14.219 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.214 -2.121 -13.010 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.778 -1.947 -13.843 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.802 -2.718 -16.636 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.866 -1.346 -16.241 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.365 -1.073 -17.156 1.00 0.00 H new ATOM 1660 N LYS A 111 -7.447 2.784 -16.249 1.00 0.00 N ATOM 1661 CA LYS A 111 -7.890 4.166 -16.225 1.00 0.00 C ATOM 1662 C LYS A 111 -8.706 4.440 -14.958 1.00 0.00 C ATOM 1663 O LYS A 111 -9.655 3.713 -14.648 1.00 0.00 O ATOM 1664 CB LYS A 111 -8.720 4.454 -17.491 1.00 0.00 C ATOM 1665 CG LYS A 111 -9.117 5.943 -17.563 1.00 0.00 C ATOM 1666 CD LYS A 111 -9.552 6.311 -19.004 1.00 0.00 C ATOM 1667 CE LYS A 111 -10.880 5.617 -19.373 1.00 0.00 C ATOM 1668 NZ LYS A 111 -11.994 6.204 -18.579 1.00 0.00 N ATOM 0 H LYS A 111 -7.933 2.203 -16.932 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.024 4.828 -16.213 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -8.145 4.184 -18.377 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.617 3.834 -17.492 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -9.931 6.144 -16.867 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.276 6.566 -17.259 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -9.666 7.392 -19.089 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -8.775 6.016 -19.709 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -11.079 5.735 -20.438 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -10.808 4.547 -19.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -12.903 5.871 -18.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -11.904 5.910 -17.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -11.953 7.242 -18.638 1.00 0.00 H new ATOM 1682 N THR A 112 -8.321 5.494 -14.239 1.00 0.00 N ATOM 1683 CA THR A 112 -9.000 5.890 -13.002 1.00 0.00 C ATOM 1684 C THR A 112 -10.460 6.266 -13.294 1.00 0.00 C ATOM 1685 O THR A 112 -11.355 5.990 -12.491 1.00 0.00 O ATOM 1686 CB THR A 112 -8.253 7.076 -12.349 1.00 0.00 C ATOM 1687 OG1 THR A 112 -6.910 6.693 -12.091 1.00 0.00 O ATOM 1688 CG2 THR A 112 -8.923 7.464 -11.019 1.00 0.00 C ATOM 0 H THR A 112 -7.536 6.094 -14.493 1.00 0.00 H new ATOM 0 HA THR A 112 -8.995 5.049 -12.308 1.00 0.00 H new ATOM 0 HB THR A 112 -8.283 7.929 -13.027 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.430 7.441 -11.678 1.00 0.00 H new ATOM 0 HG21 THR A 112 -8.386 8.300 -10.571 1.00 0.00 H new ATOM 0 HG22 THR A 112 -9.957 7.754 -11.204 1.00 0.00 H new ATOM 0 HG23 THR A 112 -8.901 6.613 -10.339 1.00 0.00 H new ATOM 1696 N GLU A 113 -10.672 6.921 -14.435 1.00 0.00 N ATOM 1697 CA GLU A 113 -12.008 7.377 -14.841 1.00 0.00 C ATOM 1698 C GLU A 113 -12.982 6.205 -15.090 1.00 0.00 C ATOM 1699 O GLU A 113 -14.174 6.424 -15.307 1.00 0.00 O ATOM 1700 CB GLU A 113 -11.906 8.253 -16.090 1.00 0.00 C ATOM 1701 CG GLU A 113 -11.224 9.579 -15.723 1.00 0.00 C ATOM 1702 CD GLU A 113 -10.954 10.442 -16.976 1.00 0.00 C ATOM 1703 OE1 GLU A 113 -10.912 9.894 -18.073 1.00 0.00 O ATOM 1704 OE2 GLU A 113 -10.793 11.640 -16.813 1.00 0.00 O ATOM 0 H GLU A 113 -9.934 7.150 -15.100 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.414 7.961 -14.015 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.336 7.739 -16.864 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.899 8.442 -16.498 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.854 10.133 -15.027 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.284 9.376 -15.210 1.00 0.00 H new ATOM 1711 N GLU A 114 -12.465 4.971 -15.064 1.00 0.00 N ATOM 1712 CA GLU A 114 -13.288 3.774 -15.278 1.00 0.00 C ATOM 1713 C GLU A 114 -14.345 3.594 -14.165 1.00 0.00 C ATOM 1714 O GLU A 114 -15.371 2.944 -14.376 1.00 0.00 O ATOM 1715 CB GLU A 114 -12.400 2.529 -15.352 1.00 0.00 C ATOM 1716 CG GLU A 114 -13.208 1.349 -15.889 1.00 0.00 C ATOM 1717 CD GLU A 114 -13.618 1.602 -17.345 1.00 0.00 C ATOM 1718 OE1 GLU A 114 -14.682 2.159 -17.551 1.00 0.00 O ATOM 1719 OE2 GLU A 114 -12.860 1.236 -18.227 1.00 0.00 O ATOM 0 H GLU A 114 -11.478 4.775 -14.896 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.816 3.906 -16.223 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -11.544 2.720 -15.999 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -12.006 2.292 -14.363 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -12.617 0.435 -15.824 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.096 1.198 -15.275 1.00 0.00 H new ATOM 1726 N PHE A 115 -14.056 4.136 -12.977 1.00 0.00 N ATOM 1727 CA PHE A 115 -14.947 4.016 -11.812 1.00 0.00 C ATOM 1728 C PHE A 115 -14.845 5.257 -10.909 1.00 0.00 C ATOM 1729 O PHE A 115 -13.894 6.036 -11.020 1.00 0.00 O ATOM 1730 CB PHE A 115 -14.617 2.734 -11.012 1.00 0.00 C ATOM 1731 CG PHE A 115 -13.191 2.787 -10.488 1.00 0.00 C ATOM 1732 CD1 PHE A 115 -12.929 3.336 -9.229 1.00 0.00 C ATOM 1733 CD2 PHE A 115 -12.141 2.289 -11.267 1.00 0.00 C ATOM 1734 CE1 PHE A 115 -11.615 3.386 -8.746 1.00 0.00 C ATOM 1735 CE2 PHE A 115 -10.827 2.338 -10.786 1.00 0.00 C ATOM 1736 CZ PHE A 115 -10.564 2.887 -9.525 1.00 0.00 C ATOM 0 H PHE A 115 -13.205 4.667 -12.794 1.00 0.00 H new ATOM 0 HA PHE A 115 -15.973 3.947 -12.174 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -15.313 2.628 -10.180 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -14.745 1.858 -11.648 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -13.740 3.722 -8.629 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -12.344 1.867 -12.240 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -11.413 3.809 -7.773 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -10.017 1.953 -11.387 1.00 0.00 H new ATOM 0 HZ PHE A 115 -9.551 2.926 -9.153 1.00 0.00 H new ATOM 1746 N GLU A 116 -15.850 5.444 -10.041 1.00 0.00 N ATOM 1747 CA GLU A 116 -15.898 6.609 -9.147 1.00 0.00 C ATOM 1748 C GLU A 116 -15.808 6.184 -7.666 1.00 0.00 C ATOM 1749 O GLU A 116 -16.537 5.297 -7.218 1.00 0.00 O ATOM 1750 CB GLU A 116 -17.201 7.391 -9.402 1.00 0.00 C ATOM 1751 CG GLU A 116 -17.247 8.671 -8.532 1.00 0.00 C ATOM 1752 CD GLU A 116 -16.114 9.648 -8.911 1.00 0.00 C ATOM 1753 OE1 GLU A 116 -15.608 9.562 -10.026 1.00 0.00 O ATOM 1754 OE2 GLU A 116 -15.774 10.471 -8.077 1.00 0.00 O ATOM 0 H GLU A 116 -16.638 4.805 -9.940 1.00 0.00 H new ATOM 0 HA GLU A 116 -15.040 7.247 -9.358 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -17.271 7.659 -10.456 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -18.061 6.760 -9.176 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -18.211 9.163 -8.657 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -17.160 8.401 -7.479 1.00 0.00 H new ATOM 1761 N VAL A 117 -14.916 6.850 -6.921 1.00 0.00 N ATOM 1762 CA VAL A 117 -14.724 6.578 -5.485 1.00 0.00 C ATOM 1763 C VAL A 117 -14.840 7.888 -4.686 1.00 0.00 C ATOM 1764 O VAL A 117 -14.161 8.874 -4.995 1.00 0.00 O ATOM 1765 CB VAL A 117 -13.331 5.928 -5.247 1.00 0.00 C ATOM 1766 CG1 VAL A 117 -13.115 5.640 -3.750 1.00 0.00 C ATOM 1767 CG2 VAL A 117 -13.235 4.610 -6.028 1.00 0.00 C ATOM 0 H VAL A 117 -14.312 7.585 -7.289 1.00 0.00 H new ATOM 0 HA VAL A 117 -15.496 5.887 -5.147 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.565 6.623 -5.591 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -12.135 5.186 -3.605 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -13.169 6.573 -3.189 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -13.888 4.958 -3.396 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -12.258 4.157 -5.859 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -14.015 3.928 -5.688 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -13.364 4.807 -7.092 1.00 0.00 H new ATOM 1777 N THR A 118 -15.679 7.872 -3.645 1.00 0.00 N ATOM 1778 CA THR A 118 -15.862 9.038 -2.777 1.00 0.00 C ATOM 1779 C THR A 118 -15.714 8.633 -1.316 1.00 0.00 C ATOM 1780 O THR A 118 -15.890 7.462 -0.965 1.00 0.00 O ATOM 1781 CB THR A 118 -17.238 9.685 -3.013 1.00 0.00 C ATOM 1782 OG1 THR A 118 -17.427 9.894 -4.405 1.00 0.00 O ATOM 1783 CG2 THR A 118 -17.303 11.035 -2.288 1.00 0.00 C ATOM 0 H THR A 118 -16.242 7.063 -3.384 1.00 0.00 H new ATOM 0 HA THR A 118 -15.093 9.771 -3.021 1.00 0.00 H new ATOM 0 HB THR A 118 -18.017 9.027 -2.629 1.00 0.00 H new ATOM 0 HG1 THR A 118 -18.304 10.304 -4.558 1.00 0.00 H new ATOM 0 HG21 THR A 118 -18.278 11.492 -2.456 1.00 0.00 H new ATOM 0 HG22 THR A 118 -17.154 10.882 -1.219 1.00 0.00 H new ATOM 0 HG23 THR A 118 -16.523 11.692 -2.673 1.00 0.00 H new ATOM 1791 N LYS A 119 -15.365 9.605 -0.478 1.00 0.00 N ATOM 1792 CA LYS A 119 -15.155 9.363 0.954 1.00 0.00 C ATOM 1793 C LYS A 119 -16.402 8.796 1.640 1.00 0.00 C ATOM 1794 O LYS A 119 -16.308 8.238 2.740 1.00 0.00 O ATOM 1795 CB LYS A 119 -14.727 10.672 1.652 1.00 0.00 C ATOM 1796 CG LYS A 119 -15.847 11.734 1.527 1.00 0.00 C ATOM 1797 CD LYS A 119 -15.556 12.915 2.461 1.00 0.00 C ATOM 1798 CE LYS A 119 -14.456 13.788 1.865 1.00 0.00 C ATOM 1799 NZ LYS A 119 -14.965 14.460 0.635 1.00 0.00 N ATOM 0 H LYS A 119 -15.220 10.573 -0.764 1.00 0.00 H new ATOM 0 HA LYS A 119 -14.365 8.617 1.042 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -14.514 10.479 2.703 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -13.807 11.048 1.204 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -15.915 12.083 0.497 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -16.810 11.290 1.778 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -16.461 13.505 2.609 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -15.251 12.548 3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -14.134 14.533 2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -13.584 13.179 1.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -14.438 15.343 0.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -14.837 13.830 -0.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -15.976 14.676 0.751 1.00 0.00 H new ATOM 1813 N THR A 120 -17.571 9.032 1.038 1.00 0.00 N ATOM 1814 CA THR A 120 -18.837 8.644 1.648 1.00 0.00 C ATOM 1815 C THR A 120 -19.621 7.599 0.822 1.00 0.00 C ATOM 1816 O THR A 120 -20.497 6.914 1.361 1.00 0.00 O ATOM 1817 CB THR A 120 -19.665 9.915 1.897 1.00 0.00 C ATOM 1818 OG1 THR A 120 -20.795 9.606 2.702 1.00 0.00 O ATOM 1819 CG2 THR A 120 -20.121 10.540 0.566 1.00 0.00 C ATOM 0 H THR A 120 -17.663 9.489 0.131 1.00 0.00 H new ATOM 0 HA THR A 120 -18.625 8.145 2.594 1.00 0.00 H new ATOM 0 HB THR A 120 -19.039 10.639 2.419 1.00 0.00 H new ATOM 0 HG1 THR A 120 -21.318 10.420 2.858 1.00 0.00 H new ATOM 0 HG21 THR A 120 -20.705 11.438 0.767 1.00 0.00 H new ATOM 0 HG22 THR A 120 -19.248 10.801 -0.031 1.00 0.00 H new ATOM 0 HG23 THR A 120 -20.734 9.824 0.019 1.00 0.00 H new ATOM 1827 N ALA A 121 -19.311 7.498 -0.481 1.00 0.00 N ATOM 1828 CA ALA A 121 -20.009 6.550 -1.363 1.00 0.00 C ATOM 1829 C ALA A 121 -19.133 6.127 -2.541 1.00 0.00 C ATOM 1830 O ALA A 121 -18.143 6.784 -2.854 1.00 0.00 O ATOM 1831 CB ALA A 121 -21.310 7.166 -1.878 1.00 0.00 C ATOM 0 H ALA A 121 -18.591 8.054 -0.942 1.00 0.00 H new ATOM 0 HA ALA A 121 -20.236 5.660 -0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -21.817 6.454 -2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -21.956 7.410 -1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -21.086 8.074 -2.438 1.00 0.00 H new ATOM 1837 N VAL A 122 -19.512 5.017 -3.184 1.00 0.00 N ATOM 1838 CA VAL A 122 -18.774 4.493 -4.332 1.00 0.00 C ATOM 1839 C VAL A 122 -19.746 4.043 -5.438 1.00 0.00 C ATOM 1840 O VAL A 122 -20.780 3.429 -5.152 1.00 0.00 O ATOM 1841 CB VAL A 122 -17.867 3.317 -3.883 1.00 0.00 C ATOM 1842 CG1 VAL A 122 -18.721 2.151 -3.357 1.00 0.00 C ATOM 1843 CG2 VAL A 122 -17.007 2.833 -5.060 1.00 0.00 C ATOM 0 H VAL A 122 -20.329 4.464 -2.925 1.00 0.00 H new ATOM 0 HA VAL A 122 -18.144 5.284 -4.739 1.00 0.00 H new ATOM 0 HB VAL A 122 -17.217 3.670 -3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -18.070 1.334 -3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -19.312 2.488 -2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -19.388 1.803 -4.146 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -16.375 2.008 -4.733 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -17.655 2.496 -5.869 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -16.381 3.652 -5.414 1.00 0.00 H new ATOM 1853 N ALA A 123 -19.388 4.336 -6.692 1.00 0.00 N ATOM 1854 CA ALA A 123 -20.208 3.942 -7.837 1.00 0.00 C ATOM 1855 C ALA A 123 -19.347 3.769 -9.078 1.00 0.00 C ATOM 1856 O ALA A 123 -18.349 4.472 -9.252 1.00 0.00 O ATOM 1857 CB ALA A 123 -21.294 4.987 -8.096 1.00 0.00 C ATOM 0 H ALA A 123 -18.538 4.843 -6.938 1.00 0.00 H new ATOM 0 HA ALA A 123 -20.682 2.988 -7.606 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -21.897 4.681 -8.951 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -21.931 5.076 -7.216 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -20.829 5.950 -8.306 1.00 0.00 H new ATOM 1863 N HIS A 124 -19.745 2.835 -9.945 1.00 0.00 N ATOM 1864 CA HIS A 124 -19.015 2.573 -11.186 1.00 0.00 C ATOM 1865 C HIS A 124 -19.365 3.583 -12.263 1.00 0.00 C ATOM 1866 O HIS A 124 -20.401 4.252 -12.194 1.00 0.00 O ATOM 1867 CB HIS A 124 -19.269 1.139 -11.696 1.00 0.00 C ATOM 1868 CG HIS A 124 -20.747 0.908 -11.924 1.00 0.00 C ATOM 1869 ND1 HIS A 124 -21.618 0.618 -10.884 1.00 0.00 N ATOM 1870 CD2 HIS A 124 -21.513 0.918 -13.062 1.00 0.00 C ATOM 1871 CE1 HIS A 124 -22.846 0.468 -11.414 1.00 0.00 C ATOM 1872 NE2 HIS A 124 -22.838 0.639 -12.738 1.00 0.00 N ATOM 0 H HIS A 124 -20.568 2.248 -9.810 1.00 0.00 H new ATOM 0 HA HIS A 124 -17.954 2.674 -10.958 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -18.722 0.976 -12.625 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -18.890 0.417 -10.972 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -21.144 1.113 -14.058 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -23.730 0.237 -10.838 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -23.632 0.578 -13.375 1.00 0.00 H new ATOM 1880 N ARG A 125 -18.497 3.669 -13.263 1.00 0.00 N ATOM 1881 CA ARG A 125 -18.685 4.571 -14.386 1.00 0.00 C ATOM 1882 C ARG A 125 -18.906 3.772 -15.683 1.00 0.00 C ATOM 1883 O ARG A 125 -18.517 2.600 -15.748 1.00 0.00 O ATOM 1884 CB ARG A 125 -17.464 5.494 -14.526 1.00 0.00 C ATOM 1885 CG ARG A 125 -17.349 6.402 -13.265 1.00 0.00 C ATOM 1886 CD ARG A 125 -16.692 7.738 -13.630 1.00 0.00 C ATOM 1887 NE ARG A 125 -17.611 8.535 -14.466 1.00 0.00 N ATOM 1888 CZ ARG A 125 -17.219 9.617 -15.185 1.00 0.00 C ATOM 1889 NH1 ARG A 125 -15.964 10.025 -15.184 1.00 0.00 N ATOM 1890 NH2 ARG A 125 -18.101 10.271 -15.885 1.00 0.00 N ATOM 0 H ARG A 125 -17.643 3.114 -13.316 1.00 0.00 H new ATOM 0 HA ARG A 125 -19.569 5.182 -14.204 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -16.558 4.900 -14.643 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -17.560 6.108 -15.421 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -18.339 6.579 -12.844 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -16.762 5.898 -12.498 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -16.439 8.289 -12.724 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -15.759 7.561 -14.166 1.00 0.00 H new ATOM 0 HE ARG A 125 -18.592 8.258 -14.505 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -15.265 9.524 -14.635 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -15.693 10.841 -15.732 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -19.075 9.968 -15.889 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -17.818 11.086 -16.429 1.00 0.00 H new ATOM 1904 N PRO A 126 -19.531 4.363 -16.729 1.00 0.00 N ATOM 1905 CA PRO A 126 -19.781 3.632 -18.010 1.00 0.00 C ATOM 1906 C PRO A 126 -18.471 3.240 -18.675 1.00 0.00 C ATOM 1907 O PRO A 126 -17.448 3.911 -18.492 1.00 0.00 O ATOM 1908 CB PRO A 126 -20.560 4.639 -18.868 1.00 0.00 C ATOM 1909 CG PRO A 126 -20.226 5.976 -18.295 1.00 0.00 C ATOM 1910 CD PRO A 126 -20.051 5.756 -16.799 1.00 0.00 C ATOM 0 HA PRO A 126 -20.328 2.701 -17.863 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -20.267 4.574 -19.916 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -21.632 4.448 -18.825 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -19.315 6.375 -18.740 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -21.020 6.696 -18.494 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -19.352 6.471 -16.364 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -20.993 5.864 -16.261 1.00 0.00 H new ATOM 1918 N GLY A 127 -18.493 2.113 -19.388 1.00 0.00 N ATOM 1919 CA GLY A 127 -17.286 1.579 -20.021 1.00 0.00 C ATOM 1920 C GLY A 127 -16.462 0.706 -19.043 1.00 0.00 C ATOM 1921 O GLY A 127 -15.356 0.273 -19.377 1.00 0.00 O ATOM 0 H GLY A 127 -19.332 1.553 -19.542 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -17.564 0.985 -20.892 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -16.669 2.403 -20.381 1.00 0.00 H new ATOM 1925 N ALA A 128 -17.012 0.455 -17.833 1.00 0.00 N ATOM 1926 CA ALA A 128 -16.332 -0.354 -16.818 1.00 0.00 C ATOM 1927 C ALA A 128 -15.832 -1.672 -17.404 1.00 0.00 C ATOM 1928 O ALA A 128 -16.483 -2.269 -18.268 1.00 0.00 O ATOM 1929 CB ALA A 128 -17.280 -0.636 -15.651 1.00 0.00 C ATOM 0 H ALA A 128 -17.925 0.805 -17.544 1.00 0.00 H new ATOM 0 HA ALA A 128 -15.471 0.210 -16.461 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -16.766 -1.238 -14.902 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -17.597 0.306 -15.204 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -18.153 -1.178 -16.014 1.00 0.00 H new ATOM 1935 N PHE A 129 -14.666 -2.114 -16.922 1.00 0.00 N ATOM 1936 CA PHE A 129 -14.052 -3.364 -17.388 1.00 0.00 C ATOM 1937 C PHE A 129 -14.765 -4.568 -16.797 1.00 0.00 C ATOM 1938 O PHE A 129 -15.259 -4.509 -15.665 1.00 0.00 O ATOM 1939 CB PHE A 129 -12.572 -3.418 -17.010 1.00 0.00 C ATOM 1940 CG PHE A 129 -11.779 -2.445 -17.860 1.00 0.00 C ATOM 1941 CD1 PHE A 129 -11.280 -1.264 -17.299 1.00 0.00 C ATOM 1942 CD2 PHE A 129 -11.539 -2.733 -19.209 1.00 0.00 C ATOM 1943 CE1 PHE A 129 -10.542 -0.371 -18.086 1.00 0.00 C ATOM 1944 CE2 PHE A 129 -10.803 -1.839 -19.996 1.00 0.00 C ATOM 1945 CZ PHE A 129 -10.304 -0.659 -19.435 1.00 0.00 C ATOM 0 H PHE A 129 -14.127 -1.624 -16.208 1.00 0.00 H new ATOM 0 HA PHE A 129 -14.144 -3.390 -18.474 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -12.450 -3.174 -15.955 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -12.190 -4.429 -17.150 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -11.464 -1.041 -16.258 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -11.922 -3.645 -19.643 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -10.157 0.540 -17.652 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -10.620 -2.061 -21.037 1.00 0.00 H new ATOM 0 HZ PHE A 129 -9.735 0.030 -20.042 1.00 0.00 H new ATOM 1955 N LYS A 130 -14.823 -5.665 -17.570 1.00 0.00 N ATOM 1956 CA LYS A 130 -15.495 -6.890 -17.107 1.00 0.00 C ATOM 1957 C LYS A 130 -14.616 -8.120 -17.333 1.00 0.00 C ATOM 1958 O LYS A 130 -14.271 -8.836 -16.390 1.00 0.00 O ATOM 1959 CB LYS A 130 -16.828 -7.080 -17.851 1.00 0.00 C ATOM 1960 CG LYS A 130 -17.748 -5.889 -17.587 1.00 0.00 C ATOM 1961 CD LYS A 130 -19.066 -6.085 -18.341 1.00 0.00 C ATOM 1962 CE LYS A 130 -19.965 -4.862 -18.136 1.00 0.00 C ATOM 1963 NZ LYS A 130 -20.325 -4.740 -16.693 1.00 0.00 N ATOM 0 H LYS A 130 -14.419 -5.729 -18.504 1.00 0.00 H new ATOM 0 HA LYS A 130 -15.681 -6.782 -16.039 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -16.646 -7.179 -18.921 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -17.309 -8.001 -17.523 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -17.939 -5.793 -16.518 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -17.266 -4.966 -17.909 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -18.870 -6.230 -19.403 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -19.570 -6.983 -17.984 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -19.451 -3.961 -18.470 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -20.868 -4.957 -18.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -21.133 -4.094 -16.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -20.580 -5.676 -16.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -19.513 -4.365 -16.163 1.00 0.00 H new ATOM 1977 N ALA A 131 -14.284 -8.360 -18.599 1.00 0.00 N ATOM 1978 CA ALA A 131 -13.475 -9.506 -19.001 1.00 0.00 C ATOM 1979 C ALA A 131 -12.081 -9.462 -18.381 1.00 0.00 C ATOM 1980 O ALA A 131 -11.488 -10.509 -18.099 1.00 0.00 O ATOM 1981 CB ALA A 131 -13.360 -9.558 -20.525 1.00 0.00 C ATOM 0 H ALA A 131 -14.569 -7.764 -19.376 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.975 -10.404 -18.638 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -12.754 -10.417 -20.815 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -14.354 -9.651 -20.962 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -12.889 -8.644 -20.886 1.00 0.00 H new ATOM 1987 N GLU A 132 -11.529 -8.251 -18.259 1.00 0.00 N ATOM 1988 CA GLU A 132 -10.162 -8.073 -17.777 1.00 0.00 C ATOM 1989 C GLU A 132 -10.052 -8.240 -16.246 1.00 0.00 C ATOM 1990 O GLU A 132 -11.043 -8.140 -15.521 1.00 0.00 O ATOM 1991 CB GLU A 132 -9.597 -6.693 -18.273 1.00 0.00 C ATOM 1992 CG GLU A 132 -9.856 -5.544 -17.258 1.00 0.00 C ATOM 1993 CD GLU A 132 -8.660 -5.388 -16.313 1.00 0.00 C ATOM 1994 OE1 GLU A 132 -7.535 -5.540 -16.770 1.00 0.00 O ATOM 1995 OE2 GLU A 132 -8.888 -5.119 -15.147 1.00 0.00 O ATOM 0 H GLU A 132 -12.010 -7.381 -18.488 1.00 0.00 H new ATOM 0 HA GLU A 132 -9.544 -8.865 -18.200 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -8.525 -6.785 -18.447 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -10.055 -6.439 -19.229 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -10.030 -4.610 -17.792 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -10.758 -5.755 -16.683 1.00 0.00 H new ATOM 2002 N LEU A 133 -8.823 -8.476 -15.787 1.00 0.00 N ATOM 2003 CA LEU A 133 -8.526 -8.643 -14.358 1.00 0.00 C ATOM 2004 C LEU A 133 -7.423 -7.676 -13.941 1.00 0.00 C ATOM 2005 O LEU A 133 -6.720 -7.134 -14.805 1.00 0.00 O ATOM 2006 CB LEU A 133 -8.114 -10.104 -14.037 1.00 0.00 C ATOM 2007 CG LEU A 133 -7.005 -10.608 -15.010 1.00 0.00 C ATOM 2008 CD1 LEU A 133 -5.630 -10.096 -14.560 1.00 0.00 C ATOM 2009 CD2 LEU A 133 -6.996 -12.143 -15.016 1.00 0.00 C ATOM 0 H LEU A 133 -8.005 -8.557 -16.391 1.00 0.00 H new ATOM 0 HA LEU A 133 -9.430 -8.420 -13.792 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -7.754 -10.165 -13.010 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -8.986 -10.754 -14.109 1.00 0.00 H new ATOM 0 HG LEU A 133 -7.214 -10.232 -16.011 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -4.865 -10.455 -15.248 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -5.631 -9.006 -14.556 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -5.416 -10.463 -13.556 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -6.222 -12.500 -15.695 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -6.793 -12.510 -14.010 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -7.967 -12.511 -15.347 1.00 0.00 H new ATOM 2021 N SER A 134 -7.303 -7.404 -12.620 1.00 0.00 N ATOM 2022 CA SER A 134 -6.298 -6.444 -12.148 1.00 0.00 C ATOM 2023 C SER A 134 -6.122 -6.457 -10.631 1.00 0.00 C ATOM 2024 O SER A 134 -6.874 -7.108 -9.903 1.00 0.00 O ATOM 2025 CB SER A 134 -6.664 -5.033 -12.622 1.00 0.00 C ATOM 2026 OG SER A 134 -5.664 -4.115 -12.208 1.00 0.00 O ATOM 0 H SER A 134 -7.874 -7.825 -11.888 1.00 0.00 H new ATOM 0 HA SER A 134 -5.343 -6.749 -12.576 1.00 0.00 H new ATOM 0 HB2 SER A 134 -6.759 -5.017 -13.708 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.631 -4.741 -12.213 1.00 0.00 H new ATOM 0 HG SER A 134 -5.585 -3.397 -12.870 1.00 0.00 H new ATOM 2032 N LYS A 135 -5.124 -5.692 -10.174 1.00 0.00 N ATOM 2033 CA LYS A 135 -4.818 -5.549 -8.751 1.00 0.00 C ATOM 2034 C LYS A 135 -5.050 -4.105 -8.313 1.00 0.00 C ATOM 2035 O LYS A 135 -4.906 -3.176 -9.112 1.00 0.00 O ATOM 2036 CB LYS A 135 -3.348 -5.944 -8.461 1.00 0.00 C ATOM 2037 CG LYS A 135 -2.383 -5.158 -9.370 1.00 0.00 C ATOM 2038 CD LYS A 135 -0.933 -5.399 -8.921 1.00 0.00 C ATOM 2039 CE LYS A 135 -0.474 -6.790 -9.370 1.00 0.00 C ATOM 2040 NZ LYS A 135 -0.400 -6.831 -10.857 1.00 0.00 N ATOM 0 H LYS A 135 -4.507 -5.155 -10.783 1.00 0.00 H new ATOM 0 HA LYS A 135 -5.476 -6.214 -8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -3.113 -5.746 -7.415 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -3.216 -7.014 -8.621 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -2.509 -5.471 -10.407 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -2.614 -4.094 -9.328 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -0.280 -4.636 -9.345 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -0.860 -5.314 -7.837 1.00 0.00 H new ATOM 0 HE2 LYS A 135 0.501 -7.020 -8.940 1.00 0.00 H new ATOM 0 HE3 LYS A 135 -1.168 -7.548 -9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 0.279 -7.562 -11.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -1.339 -7.054 -11.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -0.088 -5.906 -11.215 1.00 0.00 H new ATOM 2054 N LEU A 136 -5.433 -3.932 -7.049 1.00 0.00 N ATOM 2055 CA LEU A 136 -5.720 -2.601 -6.495 1.00 0.00 C ATOM 2056 C LEU A 136 -4.623 -2.161 -5.539 1.00 0.00 C ATOM 2057 O LEU A 136 -4.458 -2.728 -4.466 1.00 0.00 O ATOM 2058 CB LEU A 136 -7.095 -2.617 -5.765 1.00 0.00 C ATOM 2059 CG LEU A 136 -8.190 -1.786 -6.515 1.00 0.00 C ATOM 2060 CD1 LEU A 136 -7.836 -0.296 -6.506 1.00 0.00 C ATOM 2061 CD2 LEU A 136 -8.370 -2.271 -7.975 1.00 0.00 C ATOM 0 H LEU A 136 -5.553 -4.696 -6.384 1.00 0.00 H new ATOM 0 HA LEU A 136 -5.758 -1.887 -7.317 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.435 -3.648 -5.662 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -6.971 -2.220 -4.757 1.00 0.00 H new ATOM 0 HG LEU A 136 -9.131 -1.935 -5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -8.609 0.265 -7.032 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -7.769 0.056 -5.477 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -6.878 -0.147 -7.003 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -9.137 -1.672 -8.465 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.428 -2.164 -8.513 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.672 -3.318 -7.976 1.00 0.00 H new ATOM 2073 N VAL A 137 -3.945 -1.097 -5.914 1.00 0.00 N ATOM 2074 CA VAL A 137 -2.900 -0.497 -5.087 1.00 0.00 C ATOM 2075 C VAL A 137 -3.189 0.983 -4.958 1.00 0.00 C ATOM 2076 O VAL A 137 -3.344 1.679 -5.970 1.00 0.00 O ATOM 2077 CB VAL A 137 -1.502 -0.752 -5.716 1.00 0.00 C ATOM 2078 CG1 VAL A 137 -1.422 -0.128 -7.119 1.00 0.00 C ATOM 2079 CG2 VAL A 137 -0.397 -0.156 -4.825 1.00 0.00 C ATOM 0 H VAL A 137 -4.097 -0.617 -6.801 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.893 -0.949 -4.095 1.00 0.00 H new ATOM 0 HB VAL A 137 -1.356 -1.829 -5.796 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.436 -0.316 -7.545 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -2.185 -0.572 -7.759 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.588 0.947 -7.049 1.00 0.00 H new ATOM 0 HG21 VAL A 137 0.576 -0.343 -5.279 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -0.551 0.918 -4.725 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -0.433 -0.621 -3.840 1.00 0.00 H new ATOM 2089 N ILE A 138 -3.396 1.428 -3.722 1.00 0.00 N ATOM 2090 CA ILE A 138 -3.833 2.803 -3.489 1.00 0.00 C ATOM 2091 C ILE A 138 -3.188 3.419 -2.241 1.00 0.00 C ATOM 2092 O ILE A 138 -2.884 2.718 -1.274 1.00 0.00 O ATOM 2093 CB ILE A 138 -5.377 2.826 -3.401 1.00 0.00 C ATOM 2094 CG1 ILE A 138 -5.829 2.001 -2.173 1.00 0.00 C ATOM 2095 CG2 ILE A 138 -5.982 2.243 -4.708 1.00 0.00 C ATOM 2096 CD1 ILE A 138 -7.365 1.938 -2.060 1.00 0.00 C ATOM 0 H ILE A 138 -3.271 0.868 -2.878 1.00 0.00 H new ATOM 0 HA ILE A 138 -3.505 3.420 -4.326 1.00 0.00 H new ATOM 0 HB ILE A 138 -5.729 3.851 -3.285 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -5.428 0.990 -2.247 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -5.416 2.443 -1.266 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -7.070 2.260 -4.644 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -5.659 2.844 -5.558 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -5.642 1.216 -4.840 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -7.642 1.350 -1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -7.764 2.947 -1.960 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -7.777 1.472 -2.955 1.00 0.00 H new ATOM 2108 N VAL A 139 -3.015 4.738 -2.279 1.00 0.00 N ATOM 2109 CA VAL A 139 -2.432 5.490 -1.159 1.00 0.00 C ATOM 2110 C VAL A 139 -3.416 6.577 -0.698 1.00 0.00 C ATOM 2111 O VAL A 139 -3.920 7.354 -1.514 1.00 0.00 O ATOM 2112 CB VAL A 139 -1.078 6.125 -1.584 1.00 0.00 C ATOM 2113 CG1 VAL A 139 -0.460 6.913 -0.414 1.00 0.00 C ATOM 2114 CG2 VAL A 139 -0.100 5.022 -2.012 1.00 0.00 C ATOM 0 H VAL A 139 -3.271 5.317 -3.079 1.00 0.00 H new ATOM 0 HA VAL A 139 -2.245 4.809 -0.329 1.00 0.00 H new ATOM 0 HB VAL A 139 -1.263 6.804 -2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.487 7.350 -0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -1.142 7.706 -0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.287 6.241 0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 139 0.848 5.471 -2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 139 0.067 4.340 -1.178 1.00 0.00 H new ATOM 0 HG23 VAL A 139 -0.519 4.470 -2.853 1.00 0.00 H new ATOM 2124 N ALA A 140 -3.687 6.610 0.611 1.00 0.00 N ATOM 2125 CA ALA A 140 -4.619 7.583 1.187 1.00 0.00 C ATOM 2126 C ALA A 140 -4.042 8.229 2.445 1.00 0.00 C ATOM 2127 O ALA A 140 -3.313 7.591 3.204 1.00 0.00 O ATOM 2128 CB ALA A 140 -5.949 6.906 1.517 1.00 0.00 C ATOM 0 H ALA A 140 -3.273 5.973 1.292 1.00 0.00 H new ATOM 0 HA ALA A 140 -4.783 8.366 0.447 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -6.634 7.638 1.944 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -6.382 6.492 0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -5.781 6.104 2.236 1.00 0.00 H new ATOM 2134 N LYS A 141 -4.386 9.507 2.655 1.00 0.00 N ATOM 2135 CA LYS A 141 -3.912 10.265 3.824 1.00 0.00 C ATOM 2136 C LYS A 141 -5.006 10.340 4.892 1.00 0.00 C ATOM 2137 O LYS A 141 -6.196 10.337 4.571 1.00 0.00 O ATOM 2138 CB LYS A 141 -3.490 11.705 3.395 1.00 0.00 C ATOM 2139 CG LYS A 141 -2.022 11.993 3.775 1.00 0.00 C ATOM 2140 CD LYS A 141 -1.796 13.507 3.862 1.00 0.00 C ATOM 2141 CE LYS A 141 -0.323 13.781 4.135 1.00 0.00 C ATOM 2142 NZ LYS A 141 -0.114 15.241 4.354 1.00 0.00 N ATOM 0 H LYS A 141 -4.992 10.039 2.030 1.00 0.00 H new ATOM 0 HA LYS A 141 -3.048 9.750 4.243 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -3.619 11.819 2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -4.142 12.436 3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -1.786 11.525 4.731 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -1.353 11.558 3.033 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -2.100 13.986 2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -2.410 13.933 4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 141 0.004 13.222 5.012 1.00 0.00 H new ATOM 0 HE3 LYS A 141 0.282 13.439 3.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 0.893 15.424 4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -0.410 15.765 3.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -0.679 15.554 5.169 1.00 0.00 H new ATOM 2156 N ALA A 142 -4.586 10.428 6.162 1.00 0.00 N ATOM 2157 CA ALA A 142 -5.527 10.526 7.278 1.00 0.00 C ATOM 2158 C ALA A 142 -6.335 11.820 7.186 1.00 0.00 C ATOM 2159 O ALA A 142 -5.791 12.879 6.855 1.00 0.00 O ATOM 2160 CB ALA A 142 -4.774 10.479 8.612 1.00 0.00 C ATOM 0 H ALA A 142 -3.604 10.433 6.438 1.00 0.00 H new ATOM 0 HA ALA A 142 -6.212 9.680 7.224 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -5.486 10.553 9.434 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -4.227 9.539 8.688 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -4.073 11.312 8.663 1.00 0.00 H new