USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=35 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 -154:sc= -1.67 (180deg=-5.14!) USER MOD Set 1.2: A 97 TYR OH : rot -39:sc= 0.442 USER MOD Set 2.1: A 58 SER OG : rot 130:sc= -0.724 USER MOD Set 2.2: A 62 GLN : amide:sc= 0 X(o=-0.72,f=-0.73) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= -0.78 X(o=-0.78,f=-1.2) USER MOD Single : A 24 SER OG : rot -131:sc= -0.984 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -6.68! C(o=-6.7!,f=-12!) USER MOD Single : A 28 ASN : amide:sc= -0.245 K(o=-0.24,f=-4.2!) USER MOD Single : A 34 LYS NZ :NH3+ 162:sc= -0.0564 (180deg=-0.466) USER MOD Single : A 35 TYR OH : rot 30:sc= -0.768 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 157:sc= -0.766 (180deg=-1.82!) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.065 USER MOD Single : A 41 TYR OH : rot -168:sc= 0.808 USER MOD Single : A 43 SER OG : rot 138:sc= -1.57 USER MOD Single : A 44 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.15) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.427 K(o=-0.43,f=-3.1!) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 52 GLN : amide:sc= -3.53 K(o=-3.5,f=-13!) USER MOD Single : A 53 MET CE :methyl -132:sc= -1.92 (180deg=-4.77!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS : no HE2:sc= -1.91 X(o=-1.9,f=-1.8) USER MOD Single : A 63 HIS : no HD1:sc= -1.03 X(o=-1,f=-0.77) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.129 USER MOD Single : A 72 GLN : amide:sc= -0.013 K(o=-0.013,f=-1.1) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot -59:sc= -1.1 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 81 GLN :FLIP amide:sc= -0.137 F(o=-0.69,f=-0.14) USER MOD Single : A 83 LYS NZ :NH3+ -156:sc= -0.712 (180deg=-1.62!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -106:sc= -0.451 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 THR OG1 : rot -43:sc= 1.14 USER MOD Single : A 124 HIS : no HD1:sc=-0.00308 K(o=-0.0031,f=-0.51) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 158:sc= -2.14 USER MOD Single : A 135 LYS NZ :NH3+ 167:sc= 1.41 (180deg=0.911) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 106 N PRO A 9 4.610 -3.966 8.458 1.00 0.00 N ATOM 107 CA PRO A 9 3.374 -4.059 7.607 1.00 0.00 C ATOM 108 C PRO A 9 2.521 -5.267 7.976 1.00 0.00 C ATOM 109 O PRO A 9 3.047 -6.310 8.382 1.00 0.00 O ATOM 110 CB PRO A 9 3.919 -4.198 6.175 1.00 0.00 C ATOM 111 CG PRO A 9 5.301 -3.648 6.237 1.00 0.00 C ATOM 112 CD PRO A 9 5.831 -4.033 7.607 1.00 0.00 C ATOM 0 HA PRO A 9 2.724 -3.194 7.736 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.922 -5.239 5.853 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.305 -3.646 5.463 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.924 -4.063 5.445 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.299 -2.566 6.107 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.270 -5.031 7.606 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.603 -3.345 7.951 1.00 0.00 H new ATOM 120 N THR A 10 1.208 -5.120 7.817 1.00 0.00 N ATOM 121 CA THR A 10 0.267 -6.192 8.115 1.00 0.00 C ATOM 122 C THR A 10 -0.288 -6.765 6.805 1.00 0.00 C ATOM 123 O THR A 10 -0.758 -6.016 5.941 1.00 0.00 O ATOM 124 CB THR A 10 -0.875 -5.644 8.996 1.00 0.00 C ATOM 125 OG1 THR A 10 -0.322 -5.114 10.194 1.00 0.00 O ATOM 126 CG2 THR A 10 -1.863 -6.766 9.353 1.00 0.00 C ATOM 0 H THR A 10 0.771 -4.262 7.481 1.00 0.00 H new ATOM 0 HA THR A 10 0.774 -6.990 8.657 1.00 0.00 H new ATOM 0 HB THR A 10 -1.406 -4.867 8.446 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.041 -4.762 10.759 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.662 -6.363 9.975 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.288 -7.181 8.439 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.340 -7.551 9.899 1.00 0.00 H new ATOM 134 N THR A 11 -0.196 -8.094 6.658 1.00 0.00 N ATOM 135 CA THR A 11 -0.657 -8.772 5.443 1.00 0.00 C ATOM 136 C THR A 11 -1.766 -9.777 5.777 1.00 0.00 C ATOM 137 O THR A 11 -1.599 -10.627 6.658 1.00 0.00 O ATOM 138 CB THR A 11 0.542 -9.483 4.763 1.00 0.00 C ATOM 139 OG1 THR A 11 1.545 -8.518 4.471 1.00 0.00 O ATOM 140 CG2 THR A 11 0.108 -10.163 3.450 1.00 0.00 C ATOM 0 H THR A 11 0.193 -8.718 7.365 1.00 0.00 H new ATOM 0 HA THR A 11 -1.070 -8.035 4.754 1.00 0.00 H new ATOM 0 HB THR A 11 0.925 -10.245 5.441 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.308 -8.959 4.042 1.00 0.00 H new ATOM 0 HG21 THR A 11 0.967 -10.654 2.993 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.663 -10.904 3.661 1.00 0.00 H new ATOM 0 HG23 THR A 11 -0.287 -9.413 2.765 1.00 0.00 H new ATOM 148 N VAL A 12 -2.900 -9.668 5.061 1.00 0.00 N ATOM 149 CA VAL A 12 -4.041 -10.572 5.284 1.00 0.00 C ATOM 150 C VAL A 12 -4.581 -11.127 3.951 1.00 0.00 C ATOM 151 O VAL A 12 -4.839 -10.370 3.011 1.00 0.00 O ATOM 152 CB VAL A 12 -5.159 -9.847 6.084 1.00 0.00 C ATOM 153 CG1 VAL A 12 -6.361 -10.788 6.315 1.00 0.00 C ATOM 154 CG2 VAL A 12 -4.601 -9.411 7.448 1.00 0.00 C ATOM 0 H VAL A 12 -3.049 -8.971 4.331 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.694 -11.420 5.874 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.491 -8.980 5.513 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.133 -10.261 6.877 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.765 -11.105 5.354 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.035 -11.663 6.878 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.381 -8.902 8.014 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.265 -10.288 8.001 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.761 -8.733 7.298 1.00 0.00 H new ATOM 164 N ALA A 13 -4.767 -12.451 3.901 1.00 0.00 N ATOM 165 CA ALA A 13 -5.296 -13.122 2.709 1.00 0.00 C ATOM 166 C ALA A 13 -6.809 -13.307 2.812 1.00 0.00 C ATOM 167 O ALA A 13 -7.351 -13.435 3.917 1.00 0.00 O ATOM 168 CB ALA A 13 -4.618 -14.481 2.519 1.00 0.00 C ATOM 0 H ALA A 13 -4.558 -13.081 4.676 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.083 -12.492 1.845 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.021 -14.967 1.631 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.544 -14.338 2.399 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.806 -15.106 3.392 1.00 0.00 H new ATOM 174 N PHE A 14 -7.485 -13.328 1.653 1.00 0.00 N ATOM 175 CA PHE A 14 -8.937 -13.508 1.614 1.00 0.00 C ATOM 176 C PHE A 14 -9.345 -14.366 0.411 1.00 0.00 C ATOM 177 O PHE A 14 -8.571 -14.516 -0.541 1.00 0.00 O ATOM 178 CB PHE A 14 -9.653 -12.136 1.587 1.00 0.00 C ATOM 179 CG PHE A 14 -9.319 -11.374 0.312 1.00 0.00 C ATOM 180 CD1 PHE A 14 -10.139 -11.507 -0.815 1.00 0.00 C ATOM 181 CD2 PHE A 14 -8.196 -10.537 0.266 1.00 0.00 C ATOM 182 CE1 PHE A 14 -9.839 -10.803 -1.988 1.00 0.00 C ATOM 183 CE2 PHE A 14 -7.896 -9.834 -0.910 1.00 0.00 C ATOM 184 CZ PHE A 14 -8.718 -9.968 -2.035 1.00 0.00 C ATOM 0 H PHE A 14 -7.049 -13.223 0.737 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.244 -14.033 2.519 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.731 -12.282 1.656 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.355 -11.548 2.455 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.004 -12.153 -0.780 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.563 -10.433 1.135 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.473 -10.905 -2.856 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.031 -9.189 -0.948 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.486 -9.426 -2.940 1.00 0.00 H new ATOM 194 N ASP A 15 -10.547 -14.951 0.481 1.00 0.00 N ATOM 195 CA ASP A 15 -11.037 -15.823 -0.583 1.00 0.00 C ATOM 196 C ASP A 15 -12.066 -15.115 -1.448 1.00 0.00 C ATOM 197 O ASP A 15 -13.066 -14.597 -0.941 1.00 0.00 O ATOM 198 CB ASP A 15 -11.665 -17.088 0.016 1.00 0.00 C ATOM 199 CG ASP A 15 -10.669 -17.783 0.940 1.00 0.00 C ATOM 200 OD1 ASP A 15 -10.680 -17.484 2.123 1.00 0.00 O ATOM 201 OD2 ASP A 15 -9.910 -18.603 0.452 1.00 0.00 O ATOM 0 H ASP A 15 -11.193 -14.834 1.262 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.185 -16.094 -1.207 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.567 -16.828 0.571 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -11.966 -17.766 -0.782 1.00 0.00 H new ATOM 206 N VAL A 16 -11.846 -15.160 -2.762 1.00 0.00 N ATOM 207 CA VAL A 16 -12.787 -14.596 -3.722 1.00 0.00 C ATOM 208 C VAL A 16 -13.705 -15.708 -4.204 1.00 0.00 C ATOM 209 O VAL A 16 -13.248 -16.673 -4.815 1.00 0.00 O ATOM 210 CB VAL A 16 -12.025 -13.959 -4.914 1.00 0.00 C ATOM 211 CG1 VAL A 16 -13.019 -13.387 -5.942 1.00 0.00 C ATOM 212 CG2 VAL A 16 -11.127 -12.825 -4.400 1.00 0.00 C ATOM 0 H VAL A 16 -11.020 -15.584 -3.184 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.378 -13.811 -3.249 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.419 -14.728 -5.393 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.469 -12.944 -6.772 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.657 -14.188 -6.316 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -13.635 -12.624 -5.467 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.591 -12.377 -5.237 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -11.741 -12.066 -3.914 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.410 -13.225 -3.683 1.00 0.00 H new ATOM 222 N ARG A 17 -14.989 -15.579 -3.889 1.00 0.00 N ATOM 223 CA ARG A 17 -15.984 -16.589 -4.247 1.00 0.00 C ATOM 224 C ARG A 17 -17.058 -16.002 -5.206 1.00 0.00 C ATOM 225 O ARG A 17 -17.873 -15.181 -4.778 1.00 0.00 O ATOM 226 CB ARG A 17 -16.635 -17.141 -2.971 1.00 0.00 C ATOM 227 CG ARG A 17 -15.557 -17.843 -2.117 1.00 0.00 C ATOM 228 CD ARG A 17 -16.150 -18.257 -0.766 1.00 0.00 C ATOM 229 NE ARG A 17 -17.263 -19.211 -0.955 1.00 0.00 N ATOM 230 CZ ARG A 17 -18.578 -18.871 -0.839 1.00 0.00 C ATOM 231 NH1 ARG A 17 -18.957 -17.635 -0.555 1.00 0.00 N ATOM 232 NH2 ARG A 17 -19.489 -19.789 -1.018 1.00 0.00 N ATOM 0 H ARG A 17 -15.369 -14.779 -3.383 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.485 -17.402 -4.774 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -17.096 -16.332 -2.404 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -17.428 -17.843 -3.227 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.179 -18.720 -2.642 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.710 -17.174 -1.963 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.376 -18.711 -0.147 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -16.507 -17.375 -0.234 1.00 0.00 H new ATOM 0 HE ARG A 17 -17.034 -20.178 -1.185 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -18.257 -16.906 -0.416 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -19.949 -17.411 -0.475 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -19.213 -20.745 -1.241 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -20.477 -19.550 -0.935 1.00 0.00 H new ATOM 246 N PRO A 18 -17.058 -16.377 -6.514 1.00 0.00 N ATOM 247 CA PRO A 18 -18.036 -15.825 -7.512 1.00 0.00 C ATOM 248 C PRO A 18 -19.429 -16.437 -7.369 1.00 0.00 C ATOM 249 O PRO A 18 -19.624 -17.393 -6.612 1.00 0.00 O ATOM 250 CB PRO A 18 -17.421 -16.207 -8.846 1.00 0.00 C ATOM 251 CG PRO A 18 -16.739 -17.502 -8.575 1.00 0.00 C ATOM 252 CD PRO A 18 -16.143 -17.361 -7.180 1.00 0.00 C ATOM 0 HA PRO A 18 -18.188 -14.753 -7.385 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -18.181 -16.311 -9.620 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.717 -15.450 -9.191 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -17.442 -18.333 -8.620 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -15.964 -17.700 -9.315 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.124 -18.314 -6.652 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.117 -16.996 -7.216 1.00 0.00 H new ATOM 260 N GLY A 19 -20.392 -15.877 -8.115 1.00 0.00 N ATOM 261 CA GLY A 19 -21.779 -16.367 -8.090 1.00 0.00 C ATOM 262 C GLY A 19 -22.804 -15.229 -8.239 1.00 0.00 C ATOM 263 O GLY A 19 -23.963 -15.382 -7.840 1.00 0.00 O ATOM 0 H GLY A 19 -20.237 -15.087 -8.741 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -21.921 -17.089 -8.894 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -21.959 -16.894 -7.153 1.00 0.00 H new ATOM 267 N GLY A 20 -22.373 -14.095 -8.819 1.00 0.00 N ATOM 268 CA GLY A 20 -23.263 -12.947 -9.021 1.00 0.00 C ATOM 269 C GLY A 20 -23.628 -12.274 -7.694 1.00 0.00 C ATOM 270 O GLY A 20 -24.694 -11.660 -7.577 1.00 0.00 O ATOM 0 H GLY A 20 -21.420 -13.953 -9.153 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -22.779 -12.222 -9.676 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -24.172 -13.275 -9.525 1.00 0.00 H new ATOM 274 N VAL A 21 -22.743 -12.404 -6.695 1.00 0.00 N ATOM 275 CA VAL A 21 -22.977 -11.821 -5.371 1.00 0.00 C ATOM 276 C VAL A 21 -21.912 -10.771 -5.078 1.00 0.00 C ATOM 277 O VAL A 21 -20.711 -11.042 -5.194 1.00 0.00 O ATOM 278 CB VAL A 21 -22.954 -12.927 -4.279 1.00 0.00 C ATOM 279 CG1 VAL A 21 -23.232 -12.324 -2.889 1.00 0.00 C ATOM 280 CG2 VAL A 21 -24.018 -13.994 -4.586 1.00 0.00 C ATOM 0 H VAL A 21 -21.860 -12.908 -6.781 1.00 0.00 H new ATOM 0 HA VAL A 21 -23.959 -11.348 -5.361 1.00 0.00 H new ATOM 0 HB VAL A 21 -21.964 -13.383 -4.279 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -23.212 -13.114 -2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -22.469 -11.582 -2.655 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -24.213 -11.848 -2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -23.994 -14.764 -3.815 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -25.004 -13.530 -4.604 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -23.811 -14.445 -5.556 1.00 0.00 H new ATOM 290 N VAL A 22 -22.363 -9.580 -4.681 1.00 0.00 N ATOM 291 CA VAL A 22 -21.449 -8.489 -4.351 1.00 0.00 C ATOM 292 C VAL A 22 -20.798 -8.777 -3.005 1.00 0.00 C ATOM 293 O VAL A 22 -21.484 -8.924 -1.988 1.00 0.00 O ATOM 294 CB VAL A 22 -22.210 -7.134 -4.311 1.00 0.00 C ATOM 295 CG1 VAL A 22 -21.248 -5.980 -3.962 1.00 0.00 C ATOM 296 CG2 VAL A 22 -22.844 -6.857 -5.682 1.00 0.00 C ATOM 0 H VAL A 22 -23.351 -9.348 -4.581 1.00 0.00 H new ATOM 0 HA VAL A 22 -20.678 -8.417 -5.118 1.00 0.00 H new ATOM 0 HB VAL A 22 -22.984 -7.197 -3.546 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -21.800 -5.040 -3.939 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -20.801 -6.162 -2.985 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -20.462 -5.921 -4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -23.377 -5.907 -5.651 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -22.063 -6.811 -6.441 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -23.543 -7.657 -5.928 1.00 0.00 H new ATOM 306 N HIS A 23 -19.472 -8.872 -3.018 1.00 0.00 N ATOM 307 CA HIS A 23 -18.703 -9.161 -1.809 1.00 0.00 C ATOM 308 C HIS A 23 -17.861 -7.971 -1.409 1.00 0.00 C ATOM 309 O HIS A 23 -17.249 -7.314 -2.258 1.00 0.00 O ATOM 310 CB HIS A 23 -17.798 -10.375 -2.023 1.00 0.00 C ATOM 311 CG HIS A 23 -18.632 -11.600 -2.296 1.00 0.00 C ATOM 312 ND1 HIS A 23 -19.417 -12.192 -1.318 1.00 0.00 N ATOM 313 CD2 HIS A 23 -18.816 -12.350 -3.429 1.00 0.00 C ATOM 314 CE1 HIS A 23 -20.030 -13.252 -1.879 1.00 0.00 C ATOM 315 NE2 HIS A 23 -19.697 -13.393 -3.164 1.00 0.00 N ATOM 0 H HIS A 23 -18.904 -8.753 -3.857 1.00 0.00 H new ATOM 0 HA HIS A 23 -19.412 -9.378 -1.010 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -17.122 -10.192 -2.858 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -17.178 -10.536 -1.141 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -19.513 -11.882 -0.351 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -18.347 -12.160 -4.383 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -20.708 -13.908 -1.353 1.00 0.00 H new ATOM 323 N SER A 24 -17.829 -7.704 -0.107 1.00 0.00 N ATOM 324 CA SER A 24 -17.053 -6.593 0.435 1.00 0.00 C ATOM 325 C SER A 24 -15.987 -7.098 1.399 1.00 0.00 C ATOM 326 O SER A 24 -16.290 -7.819 2.354 1.00 0.00 O ATOM 327 CB SER A 24 -17.975 -5.617 1.162 1.00 0.00 C ATOM 328 OG SER A 24 -18.935 -5.103 0.248 1.00 0.00 O ATOM 0 H SER A 24 -18.334 -8.245 0.595 1.00 0.00 H new ATOM 0 HA SER A 24 -16.563 -6.083 -0.394 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.477 -6.121 1.988 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.393 -4.802 1.592 1.00 0.00 H new ATOM 0 HG SER A 24 -18.970 -4.127 0.325 1.00 0.00 H new ATOM 334 N PHE A 25 -14.745 -6.681 1.159 1.00 0.00 N ATOM 335 CA PHE A 25 -13.618 -7.047 2.023 1.00 0.00 C ATOM 336 C PHE A 25 -12.887 -5.798 2.478 1.00 0.00 C ATOM 337 O PHE A 25 -12.802 -4.824 1.732 1.00 0.00 O ATOM 338 CB PHE A 25 -12.651 -7.981 1.289 1.00 0.00 C ATOM 339 CG PHE A 25 -13.345 -9.283 0.972 1.00 0.00 C ATOM 340 CD1 PHE A 25 -14.000 -9.447 -0.252 1.00 0.00 C ATOM 341 CD2 PHE A 25 -13.333 -10.327 1.906 1.00 0.00 C ATOM 342 CE1 PHE A 25 -14.643 -10.655 -0.545 1.00 0.00 C ATOM 343 CE2 PHE A 25 -13.976 -11.535 1.614 1.00 0.00 C ATOM 344 CZ PHE A 25 -14.632 -11.699 0.387 1.00 0.00 C ATOM 0 H PHE A 25 -14.490 -6.087 0.370 1.00 0.00 H new ATOM 0 HA PHE A 25 -14.009 -7.572 2.894 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -12.302 -7.510 0.370 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -11.771 -8.167 1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -14.010 -8.642 -0.971 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -12.827 -10.199 2.852 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -15.148 -10.782 -1.491 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -13.967 -12.340 2.334 1.00 0.00 H new ATOM 0 HZ PHE A 25 -15.129 -12.631 0.160 1.00 0.00 H new ATOM 354 N SER A 26 -12.386 -5.819 3.717 1.00 0.00 N ATOM 355 CA SER A 26 -11.690 -4.663 4.275 1.00 0.00 C ATOM 356 C SER A 26 -10.671 -5.086 5.315 1.00 0.00 C ATOM 357 O SER A 26 -10.692 -6.225 5.795 1.00 0.00 O ATOM 358 CB SER A 26 -12.690 -3.695 4.896 1.00 0.00 C ATOM 359 OG SER A 26 -13.276 -4.296 6.044 1.00 0.00 O ATOM 0 H SER A 26 -12.450 -6.619 4.346 1.00 0.00 H new ATOM 0 HA SER A 26 -11.163 -4.165 3.461 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.191 -2.766 5.172 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.463 -3.438 4.171 1.00 0.00 H new ATOM 0 HG SER A 26 -13.918 -3.675 6.446 1.00 0.00 H new ATOM 365 N HIS A 27 -9.778 -4.158 5.654 1.00 0.00 N ATOM 366 CA HIS A 27 -8.733 -4.415 6.635 1.00 0.00 C ATOM 367 C HIS A 27 -8.376 -3.135 7.384 1.00 0.00 C ATOM 368 O HIS A 27 -8.440 -2.036 6.824 1.00 0.00 O ATOM 369 CB HIS A 27 -7.490 -4.988 5.946 1.00 0.00 C ATOM 370 CG HIS A 27 -6.528 -5.503 6.984 1.00 0.00 C ATOM 371 ND1 HIS A 27 -5.651 -4.667 7.658 1.00 0.00 N ATOM 372 CD2 HIS A 27 -6.304 -6.760 7.481 1.00 0.00 C ATOM 373 CE1 HIS A 27 -4.945 -5.426 8.516 1.00 0.00 C ATOM 374 NE2 HIS A 27 -5.304 -6.710 8.448 1.00 0.00 N ATOM 0 H HIS A 27 -9.760 -3.217 5.260 1.00 0.00 H new ATOM 0 HA HIS A 27 -9.105 -5.145 7.354 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.776 -5.793 5.269 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.010 -4.219 5.341 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.824 -7.654 7.170 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.182 -5.044 9.178 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -4.926 -7.488 8.989 1.00 0.00 H new ATOM 382 N ASN A 28 -8.018 -3.293 8.657 1.00 0.00 N ATOM 383 CA ASN A 28 -7.668 -2.167 9.512 1.00 0.00 C ATOM 384 C ASN A 28 -6.636 -2.581 10.554 1.00 0.00 C ATOM 385 O ASN A 28 -6.394 -3.774 10.761 1.00 0.00 O ATOM 386 CB ASN A 28 -8.926 -1.617 10.204 1.00 0.00 C ATOM 387 CG ASN A 28 -9.522 -2.650 11.176 1.00 0.00 C ATOM 388 OD1 ASN A 28 -9.251 -3.851 11.069 1.00 0.00 O ATOM 389 ND2 ASN A 28 -10.325 -2.246 12.121 1.00 0.00 N ATOM 0 H ASN A 28 -7.963 -4.200 9.120 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.234 -1.385 8.889 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -8.677 -0.705 10.746 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.669 -1.349 9.453 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.728 -2.921 12.771 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.549 -1.255 12.210 1.00 0.00 H new ATOM 396 N VAL A 29 -6.033 -1.587 11.206 1.00 0.00 N ATOM 397 CA VAL A 29 -5.019 -1.834 12.240 1.00 0.00 C ATOM 398 C VAL A 29 -5.407 -1.148 13.545 1.00 0.00 C ATOM 399 O VAL A 29 -6.215 -0.212 13.546 1.00 0.00 O ATOM 400 CB VAL A 29 -3.630 -1.347 11.770 1.00 0.00 C ATOM 401 CG1 VAL A 29 -3.179 -2.177 10.563 1.00 0.00 C ATOM 402 CG2 VAL A 29 -3.687 0.156 11.378 1.00 0.00 C ATOM 0 H VAL A 29 -6.227 -0.600 11.038 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.966 -2.909 12.415 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.918 -1.469 12.586 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.199 -1.834 10.231 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.119 -3.228 10.846 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.898 -2.060 9.752 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.701 0.484 11.049 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.404 0.294 10.569 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.996 0.746 12.241 1.00 0.00 H new ATOM 412 N GLY A 30 -4.869 -1.656 14.664 1.00 0.00 N ATOM 413 CA GLY A 30 -5.211 -1.128 15.989 1.00 0.00 C ATOM 414 C GLY A 30 -4.861 0.372 16.123 1.00 0.00 C ATOM 415 O GLY A 30 -5.725 1.162 16.518 1.00 0.00 O ATOM 0 H GLY A 30 -4.200 -2.426 14.676 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.276 -1.269 16.172 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.679 -1.694 16.753 1.00 0.00 H new ATOM 419 N PRO A 31 -3.627 0.802 15.768 1.00 0.00 N ATOM 420 CA PRO A 31 -3.246 2.257 15.837 1.00 0.00 C ATOM 421 C PRO A 31 -4.169 3.098 14.956 1.00 0.00 C ATOM 422 O PRO A 31 -4.651 4.156 15.367 1.00 0.00 O ATOM 423 CB PRO A 31 -1.810 2.273 15.289 1.00 0.00 C ATOM 424 CG PRO A 31 -1.300 0.893 15.524 1.00 0.00 C ATOM 425 CD PRO A 31 -2.488 -0.021 15.284 1.00 0.00 C ATOM 0 HA PRO A 31 -3.325 2.673 16.841 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.794 2.526 14.229 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.198 3.014 15.803 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.479 0.657 14.847 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.918 0.783 16.539 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.594 -0.282 14.231 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.399 -0.956 15.836 1.00 0.00 H new ATOM 433 N GLY A 32 -4.436 2.578 13.759 1.00 0.00 N ATOM 434 CA GLY A 32 -5.339 3.220 12.801 1.00 0.00 C ATOM 435 C GLY A 32 -6.764 2.686 12.950 1.00 0.00 C ATOM 436 O GLY A 32 -7.318 2.111 12.008 1.00 0.00 O ATOM 0 H GLY A 32 -4.034 1.702 13.425 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.333 4.299 12.956 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.984 3.042 11.786 1.00 0.00 H new ATOM 440 N ASP A 33 -7.337 2.852 14.146 1.00 0.00 N ATOM 441 CA ASP A 33 -8.689 2.354 14.431 1.00 0.00 C ATOM 442 C ASP A 33 -9.742 3.038 13.559 1.00 0.00 C ATOM 443 O ASP A 33 -10.748 2.421 13.192 1.00 0.00 O ATOM 444 CB ASP A 33 -9.025 2.565 15.915 1.00 0.00 C ATOM 445 CG ASP A 33 -8.941 4.057 16.316 1.00 0.00 C ATOM 446 OD1 ASP A 33 -8.373 4.842 15.565 1.00 0.00 O ATOM 447 OD2 ASP A 33 -9.451 4.385 17.375 1.00 0.00 O ATOM 0 H ASP A 33 -6.889 3.325 14.931 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.704 1.289 14.199 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -10.028 2.190 16.118 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.337 1.984 16.530 1.00 0.00 H new ATOM 452 N LYS A 34 -9.507 4.310 13.239 1.00 0.00 N ATOM 453 CA LYS A 34 -10.443 5.089 12.414 1.00 0.00 C ATOM 454 C LYS A 34 -10.121 4.988 10.914 1.00 0.00 C ATOM 455 O LYS A 34 -10.829 5.572 10.090 1.00 0.00 O ATOM 456 CB LYS A 34 -10.419 6.553 12.841 1.00 0.00 C ATOM 457 CG LYS A 34 -10.948 6.669 14.264 1.00 0.00 C ATOM 458 CD LYS A 34 -10.948 8.137 14.689 1.00 0.00 C ATOM 459 CE LYS A 34 -11.515 8.265 16.108 1.00 0.00 C ATOM 460 NZ LYS A 34 -10.628 7.544 17.069 1.00 0.00 N ATOM 0 H LYS A 34 -8.679 4.827 13.536 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.437 4.669 12.569 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.403 6.944 12.785 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.028 7.152 12.164 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.958 6.262 14.322 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.328 6.083 14.943 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.934 8.535 14.655 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.546 8.727 13.994 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.591 9.316 16.386 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.523 7.851 16.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.824 7.873 18.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -10.808 6.522 17.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.633 7.735 16.834 1.00 0.00 H new ATOM 474 N TYR A 35 -9.037 4.274 10.568 1.00 0.00 N ATOM 475 CA TYR A 35 -8.617 4.145 9.157 1.00 0.00 C ATOM 476 C TYR A 35 -8.819 2.718 8.648 1.00 0.00 C ATOM 477 O TYR A 35 -8.255 1.766 9.194 1.00 0.00 O ATOM 478 CB TYR A 35 -7.147 4.565 9.005 1.00 0.00 C ATOM 479 CG TYR A 35 -6.996 6.018 9.412 1.00 0.00 C ATOM 480 CD1 TYR A 35 -6.642 6.340 10.729 1.00 0.00 C ATOM 481 CD2 TYR A 35 -7.227 7.037 8.481 1.00 0.00 C ATOM 482 CE1 TYR A 35 -6.519 7.679 11.114 1.00 0.00 C ATOM 483 CE2 TYR A 35 -7.100 8.379 8.868 1.00 0.00 C ATOM 484 CZ TYR A 35 -6.747 8.698 10.184 1.00 0.00 C ATOM 485 OH TYR A 35 -6.624 10.019 10.564 1.00 0.00 O ATOM 0 H TYR A 35 -8.441 3.782 11.234 1.00 0.00 H new ATOM 0 HA TYR A 35 -9.240 4.806 8.554 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.511 3.934 9.625 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.823 4.429 7.973 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.464 5.554 11.447 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.503 6.790 7.466 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.248 7.926 12.130 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.275 9.167 8.150 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.957 10.093 11.278 1.00 0.00 H new ATOM 495 N THR A 36 -9.660 2.581 7.611 1.00 0.00 N ATOM 496 CA THR A 36 -9.984 1.272 7.036 1.00 0.00 C ATOM 497 C THR A 36 -9.979 1.318 5.493 1.00 0.00 C ATOM 498 O THR A 36 -10.586 2.208 4.891 1.00 0.00 O ATOM 499 CB THR A 36 -11.371 0.820 7.550 1.00 0.00 C ATOM 500 OG1 THR A 36 -11.359 0.793 8.970 1.00 0.00 O ATOM 501 CG2 THR A 36 -11.716 -0.580 7.022 1.00 0.00 C ATOM 0 H THR A 36 -10.127 3.364 7.155 1.00 0.00 H new ATOM 0 HA THR A 36 -9.222 0.558 7.348 1.00 0.00 H new ATOM 0 HB THR A 36 -12.122 1.525 7.193 1.00 0.00 H new ATOM 0 HG1 THR A 36 -12.237 0.508 9.299 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.696 -0.879 7.396 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.733 -0.564 5.932 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.965 -1.293 7.363 1.00 0.00 H new ATOM 509 N CYS A 37 -9.366 0.295 4.872 1.00 0.00 N ATOM 510 CA CYS A 37 -9.375 0.161 3.408 1.00 0.00 C ATOM 511 C CYS A 37 -10.445 -0.845 2.997 1.00 0.00 C ATOM 512 O CYS A 37 -10.598 -1.891 3.638 1.00 0.00 O ATOM 513 CB CYS A 37 -8.006 -0.304 2.881 1.00 0.00 C ATOM 514 SG CYS A 37 -6.742 0.941 3.240 1.00 0.00 S ATOM 0 H CYS A 37 -8.862 -0.446 5.359 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.593 1.138 2.977 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.734 -1.253 3.343 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.062 -0.477 1.806 1.00 0.00 H new ATOM 519 N MET A 38 -11.206 -0.512 1.946 1.00 0.00 N ATOM 520 CA MET A 38 -12.291 -1.380 1.474 1.00 0.00 C ATOM 521 C MET A 38 -12.120 -1.768 0.021 1.00 0.00 C ATOM 522 O MET A 38 -11.620 -0.988 -0.795 1.00 0.00 O ATOM 523 CB MET A 38 -13.642 -0.702 1.654 1.00 0.00 C ATOM 524 CG MET A 38 -13.927 -0.523 3.140 1.00 0.00 C ATOM 525 SD MET A 38 -15.553 0.241 3.358 1.00 0.00 S ATOM 526 CE MET A 38 -15.636 0.086 5.159 1.00 0.00 C ATOM 0 H MET A 38 -11.091 0.348 1.409 1.00 0.00 H new ATOM 0 HA MET A 38 -12.250 -2.286 2.078 1.00 0.00 H new ATOM 0 HB2 MET A 38 -13.644 0.266 1.153 1.00 0.00 H new ATOM 0 HB3 MET A 38 -14.426 -1.302 1.192 1.00 0.00 H new ATOM 0 HG2 MET A 38 -13.897 -1.488 3.645 1.00 0.00 H new ATOM 0 HG3 MET A 38 -13.157 0.100 3.596 1.00 0.00 H new ATOM 0 HE1 MET A 38 -16.330 0.827 5.556 1.00 0.00 H new ATOM 0 HE2 MET A 38 -15.982 -0.913 5.423 1.00 0.00 H new ATOM 0 HE3 MET A 38 -14.646 0.251 5.584 1.00 0.00 H new ATOM 536 N PHE A 39 -12.573 -2.977 -0.293 1.00 0.00 N ATOM 537 CA PHE A 39 -12.522 -3.506 -1.644 1.00 0.00 C ATOM 538 C PHE A 39 -13.818 -4.241 -1.978 1.00 0.00 C ATOM 539 O PHE A 39 -14.082 -5.321 -1.436 1.00 0.00 O ATOM 540 CB PHE A 39 -11.324 -4.485 -1.787 1.00 0.00 C ATOM 541 CG PHE A 39 -11.056 -4.926 -3.264 1.00 0.00 C ATOM 542 CD1 PHE A 39 -10.021 -5.832 -3.515 1.00 0.00 C ATOM 543 CD2 PHE A 39 -11.820 -4.435 -4.354 1.00 0.00 C ATOM 544 CE1 PHE A 39 -9.745 -6.248 -4.825 1.00 0.00 C ATOM 545 CE2 PHE A 39 -11.541 -4.853 -5.654 1.00 0.00 C ATOM 546 CZ PHE A 39 -10.504 -5.758 -5.891 1.00 0.00 C ATOM 0 H PHE A 39 -12.986 -3.616 0.386 1.00 0.00 H new ATOM 0 HA PHE A 39 -12.396 -2.673 -2.335 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.427 -4.011 -1.389 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -11.513 -5.370 -1.180 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.431 -6.214 -2.695 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.622 -3.734 -4.175 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -8.944 -6.949 -5.011 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -12.127 -4.477 -6.479 1.00 0.00 H new ATOM 0 HZ PHE A 39 -10.288 -6.079 -6.899 1.00 0.00 H new ATOM 556 N THR A 40 -14.615 -3.663 -2.887 1.00 0.00 N ATOM 557 CA THR A 40 -15.881 -4.284 -3.309 1.00 0.00 C ATOM 558 C THR A 40 -15.806 -4.747 -4.748 1.00 0.00 C ATOM 559 O THR A 40 -15.185 -4.094 -5.575 1.00 0.00 O ATOM 560 CB THR A 40 -17.031 -3.292 -3.163 1.00 0.00 C ATOM 561 OG1 THR A 40 -16.664 -2.049 -3.748 1.00 0.00 O ATOM 562 CG2 THR A 40 -17.373 -3.102 -1.689 1.00 0.00 C ATOM 0 H THR A 40 -14.409 -2.774 -3.342 1.00 0.00 H new ATOM 0 HA THR A 40 -16.057 -5.148 -2.668 1.00 0.00 H new ATOM 0 HB THR A 40 -17.910 -3.681 -3.676 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.404 -1.413 -3.655 1.00 0.00 H new ATOM 0 HG21 THR A 40 -18.195 -2.392 -1.595 1.00 0.00 H new ATOM 0 HG22 THR A 40 -17.668 -4.059 -1.258 1.00 0.00 H new ATOM 0 HG23 THR A 40 -16.501 -2.719 -1.159 1.00 0.00 H new ATOM 570 N TYR A 41 -16.459 -5.880 -5.044 1.00 0.00 N ATOM 571 CA TYR A 41 -16.474 -6.413 -6.412 1.00 0.00 C ATOM 572 C TYR A 41 -17.612 -7.417 -6.630 1.00 0.00 C ATOM 573 O TYR A 41 -18.147 -7.986 -5.676 1.00 0.00 O ATOM 574 CB TYR A 41 -15.112 -7.049 -6.760 1.00 0.00 C ATOM 575 CG TYR A 41 -14.809 -8.193 -5.814 1.00 0.00 C ATOM 576 CD1 TYR A 41 -15.233 -9.488 -6.127 1.00 0.00 C ATOM 577 CD2 TYR A 41 -14.107 -7.953 -4.626 1.00 0.00 C ATOM 578 CE1 TYR A 41 -14.957 -10.543 -5.255 1.00 0.00 C ATOM 579 CE2 TYR A 41 -13.830 -9.010 -3.753 1.00 0.00 C ATOM 580 CZ TYR A 41 -14.255 -10.305 -4.068 1.00 0.00 C ATOM 581 OH TYR A 41 -13.983 -11.351 -3.206 1.00 0.00 O ATOM 0 H TYR A 41 -16.977 -6.438 -4.365 1.00 0.00 H new ATOM 0 HA TYR A 41 -16.654 -5.574 -7.084 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -15.124 -7.412 -7.788 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -14.325 -6.297 -6.696 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.774 -9.672 -7.043 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.780 -6.953 -4.384 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -15.285 -11.543 -5.497 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.289 -8.827 -2.837 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.658 -10.996 -2.353 1.00 0.00 H new ATOM 591 N ALA A 42 -17.930 -7.655 -7.906 1.00 0.00 N ATOM 592 CA ALA A 42 -18.955 -8.624 -8.293 1.00 0.00 C ATOM 593 C ALA A 42 -18.469 -9.422 -9.498 1.00 0.00 C ATOM 594 O ALA A 42 -17.846 -8.858 -10.410 1.00 0.00 O ATOM 595 CB ALA A 42 -20.264 -7.907 -8.635 1.00 0.00 C ATOM 0 H ALA A 42 -17.486 -7.184 -8.694 1.00 0.00 H new ATOM 0 HA ALA A 42 -19.138 -9.301 -7.458 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -21.017 -8.641 -8.921 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -20.612 -7.350 -7.765 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -20.096 -7.218 -9.463 1.00 0.00 H new ATOM 601 N SER A 43 -18.713 -10.743 -9.479 1.00 0.00 N ATOM 602 CA SER A 43 -18.245 -11.620 -10.554 1.00 0.00 C ATOM 603 C SER A 43 -19.117 -12.850 -10.697 1.00 0.00 C ATOM 604 O SER A 43 -19.826 -13.241 -9.766 1.00 0.00 O ATOM 605 CB SER A 43 -16.829 -12.067 -10.276 1.00 0.00 C ATOM 606 OG SER A 43 -16.367 -12.871 -11.354 1.00 0.00 O ATOM 0 H SER A 43 -19.227 -11.219 -8.737 1.00 0.00 H new ATOM 0 HA SER A 43 -18.292 -11.048 -11.480 1.00 0.00 H new ATOM 0 HB2 SER A 43 -16.180 -11.200 -10.151 1.00 0.00 H new ATOM 0 HB3 SER A 43 -16.790 -12.631 -9.344 1.00 0.00 H new ATOM 0 HG SER A 43 -15.442 -12.629 -11.570 1.00 0.00 H new ATOM 612 N GLN A 44 -19.019 -13.477 -11.867 1.00 0.00 N ATOM 613 CA GLN A 44 -19.747 -14.700 -12.160 1.00 0.00 C ATOM 614 C GLN A 44 -18.766 -15.849 -12.436 1.00 0.00 C ATOM 615 O GLN A 44 -17.849 -15.715 -13.250 1.00 0.00 O ATOM 616 CB GLN A 44 -20.658 -14.482 -13.377 1.00 0.00 C ATOM 617 CG GLN A 44 -21.533 -15.725 -13.631 1.00 0.00 C ATOM 618 CD GLN A 44 -22.488 -15.958 -12.461 1.00 0.00 C ATOM 619 OE1 GLN A 44 -22.359 -16.948 -11.740 1.00 0.00 O ATOM 620 NE2 GLN A 44 -23.442 -15.098 -12.228 1.00 0.00 N ATOM 0 H GLN A 44 -18.433 -13.149 -12.634 1.00 0.00 H new ATOM 0 HA GLN A 44 -20.359 -14.964 -11.297 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -21.293 -13.612 -13.211 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -20.052 -14.271 -14.258 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -22.102 -15.594 -14.551 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -20.899 -16.601 -13.770 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -23.547 -14.279 -12.826 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -24.082 -15.245 -11.448 1.00 0.00 H new ATOM 629 N GLY A 45 -18.976 -16.967 -11.745 1.00 0.00 N ATOM 630 CA GLY A 45 -18.129 -18.153 -11.890 1.00 0.00 C ATOM 631 C GLY A 45 -18.457 -19.176 -10.807 1.00 0.00 C ATOM 632 O GLY A 45 -19.259 -18.900 -9.909 1.00 0.00 O ATOM 0 H GLY A 45 -19.734 -17.078 -11.071 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.278 -18.596 -12.875 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.079 -17.868 -11.824 1.00 0.00 H new ATOM 636 N GLY A 46 -17.838 -20.361 -10.899 1.00 0.00 N ATOM 637 CA GLY A 46 -18.074 -21.433 -9.914 1.00 0.00 C ATOM 638 C GLY A 46 -16.790 -21.859 -9.172 1.00 0.00 C ATOM 639 O GLY A 46 -16.815 -22.821 -8.398 1.00 0.00 O ATOM 0 H GLY A 46 -17.176 -20.603 -11.636 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -18.813 -21.096 -9.187 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.499 -22.299 -10.422 1.00 0.00 H new ATOM 643 N THR A 47 -15.677 -21.146 -9.413 1.00 0.00 N ATOM 644 CA THR A 47 -14.400 -21.464 -8.762 1.00 0.00 C ATOM 645 C THR A 47 -13.869 -20.244 -8.012 1.00 0.00 C ATOM 646 O THR A 47 -13.812 -19.140 -8.566 1.00 0.00 O ATOM 647 CB THR A 47 -13.375 -21.942 -9.816 1.00 0.00 C ATOM 648 OG1 THR A 47 -13.903 -23.068 -10.504 1.00 0.00 O ATOM 649 CG2 THR A 47 -12.055 -22.348 -9.135 1.00 0.00 C ATOM 0 H THR A 47 -15.638 -20.351 -10.050 1.00 0.00 H new ATOM 0 HA THR A 47 -14.560 -22.266 -8.042 1.00 0.00 H new ATOM 0 HB THR A 47 -13.182 -21.127 -10.514 1.00 0.00 H new ATOM 0 HG1 THR A 47 -13.257 -23.374 -11.175 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.344 -22.682 -9.890 1.00 0.00 H new ATOM 0 HG22 THR A 47 -11.642 -21.492 -8.602 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.243 -23.158 -8.430 1.00 0.00 H new ATOM 657 N ASN A 48 -13.490 -20.452 -6.743 1.00 0.00 N ATOM 658 CA ASN A 48 -12.974 -19.374 -5.914 1.00 0.00 C ATOM 659 C ASN A 48 -11.497 -19.104 -6.220 1.00 0.00 C ATOM 660 O ASN A 48 -10.904 -19.762 -7.079 1.00 0.00 O ATOM 661 CB ASN A 48 -13.164 -19.704 -4.418 1.00 0.00 C ATOM 662 CG ASN A 48 -12.248 -20.861 -3.974 1.00 0.00 C ATOM 663 OD1 ASN A 48 -11.643 -21.548 -4.804 1.00 0.00 O ATOM 664 ND2 ASN A 48 -12.114 -21.115 -2.699 1.00 0.00 N ATOM 0 H ASN A 48 -13.534 -21.358 -6.277 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.538 -18.470 -6.145 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -12.950 -18.819 -3.819 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.204 -19.971 -4.232 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.511 -21.878 -2.392 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -12.612 -20.550 -2.011 1.00 0.00 H new ATOM 671 N GLU A 49 -10.924 -18.112 -5.528 1.00 0.00 N ATOM 672 CA GLU A 49 -9.534 -17.722 -5.736 1.00 0.00 C ATOM 673 C GLU A 49 -8.912 -17.201 -4.448 1.00 0.00 C ATOM 674 O GLU A 49 -9.605 -16.652 -3.591 1.00 0.00 O ATOM 675 CB GLU A 49 -9.457 -16.648 -6.828 1.00 0.00 C ATOM 676 CG GLU A 49 -7.993 -16.361 -7.212 1.00 0.00 C ATOM 677 CD GLU A 49 -7.332 -17.608 -7.806 1.00 0.00 C ATOM 678 OE1 GLU A 49 -6.762 -18.372 -7.044 1.00 0.00 O ATOM 679 OE2 GLU A 49 -7.409 -17.778 -9.011 1.00 0.00 O ATOM 0 H GLU A 49 -11.409 -17.565 -4.817 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.973 -18.602 -6.050 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.010 -16.977 -7.708 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.932 -15.732 -6.477 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.955 -15.545 -7.934 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.439 -16.034 -6.332 1.00 0.00 H new ATOM 686 N GLN A 50 -7.597 -17.376 -4.329 1.00 0.00 N ATOM 687 CA GLN A 50 -6.860 -16.916 -3.156 1.00 0.00 C ATOM 688 C GLN A 50 -6.123 -15.609 -3.458 1.00 0.00 C ATOM 689 O GLN A 50 -5.372 -15.520 -4.430 1.00 0.00 O ATOM 690 CB GLN A 50 -5.863 -17.988 -2.711 1.00 0.00 C ATOM 691 CG GLN A 50 -6.630 -19.219 -2.218 1.00 0.00 C ATOM 692 CD GLN A 50 -5.662 -20.358 -1.902 1.00 0.00 C ATOM 693 OE1 GLN A 50 -4.658 -20.535 -2.593 1.00 0.00 O ATOM 694 NE2 GLN A 50 -5.908 -21.146 -0.891 1.00 0.00 N ATOM 0 H GLN A 50 -7.020 -17.835 -5.034 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.572 -16.733 -2.351 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.210 -18.260 -3.540 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.225 -17.600 -1.917 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.205 -18.965 -1.328 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.343 -19.539 -2.978 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.740 -20.998 -0.320 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.268 -21.910 -0.672 1.00 0.00 H new ATOM 703 N TRP A 51 -6.365 -14.598 -2.621 1.00 0.00 N ATOM 704 CA TRP A 51 -5.748 -13.274 -2.783 1.00 0.00 C ATOM 705 C TRP A 51 -5.067 -12.821 -1.495 1.00 0.00 C ATOM 706 O TRP A 51 -5.544 -13.116 -0.396 1.00 0.00 O ATOM 707 CB TRP A 51 -6.810 -12.248 -3.174 1.00 0.00 C ATOM 708 CG TRP A 51 -7.310 -12.529 -4.552 1.00 0.00 C ATOM 709 CD1 TRP A 51 -8.111 -13.561 -4.891 1.00 0.00 C ATOM 710 CD2 TRP A 51 -7.077 -11.772 -5.775 1.00 0.00 C ATOM 711 NE1 TRP A 51 -8.375 -13.492 -6.250 1.00 0.00 N ATOM 712 CE2 TRP A 51 -7.759 -12.406 -6.836 1.00 0.00 C ATOM 713 CE3 TRP A 51 -6.340 -10.608 -6.063 1.00 0.00 C ATOM 714 CZ2 TRP A 51 -7.716 -11.907 -8.136 1.00 0.00 C ATOM 715 CZ3 TRP A 51 -6.296 -10.101 -7.372 1.00 0.00 C ATOM 716 CH2 TRP A 51 -6.984 -10.751 -8.407 1.00 0.00 C ATOM 0 H TRP A 51 -6.989 -14.670 -1.817 1.00 0.00 H new ATOM 0 HA TRP A 51 -4.996 -13.350 -3.568 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -7.637 -12.280 -2.465 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.390 -11.243 -3.129 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -8.485 -14.316 -4.215 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -8.954 -14.163 -6.755 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -5.805 -10.102 -5.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.246 -12.412 -8.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.729 -9.206 -7.583 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.947 -10.357 -9.412 1.00 0.00 H new ATOM 727 N GLN A 52 -3.972 -12.062 -1.641 1.00 0.00 N ATOM 728 CA GLN A 52 -3.247 -11.516 -0.486 1.00 0.00 C ATOM 729 C GLN A 52 -3.325 -9.998 -0.458 1.00 0.00 C ATOM 730 O GLN A 52 -3.349 -9.340 -1.512 1.00 0.00 O ATOM 731 CB GLN A 52 -1.776 -11.961 -0.485 1.00 0.00 C ATOM 732 CG GLN A 52 -1.678 -13.472 -0.156 1.00 0.00 C ATOM 733 CD GLN A 52 -1.750 -14.323 -1.428 1.00 0.00 C ATOM 734 OE1 GLN A 52 -2.203 -13.857 -2.477 1.00 0.00 O ATOM 735 NE2 GLN A 52 -1.334 -15.561 -1.389 1.00 0.00 N ATOM 0 H GLN A 52 -3.570 -11.813 -2.545 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.728 -11.910 0.409 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.327 -11.763 -1.458 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.214 -11.384 0.249 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -0.743 -13.673 0.366 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.487 -13.753 0.519 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.960 -15.946 -0.522 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.384 -16.142 -2.226 1.00 0.00 H new ATOM 744 N MET A 53 -3.372 -9.449 0.758 1.00 0.00 N ATOM 745 CA MET A 53 -3.455 -8.006 0.957 1.00 0.00 C ATOM 746 C MET A 53 -2.249 -7.532 1.738 1.00 0.00 C ATOM 747 O MET A 53 -1.788 -8.224 2.642 1.00 0.00 O ATOM 748 CB MET A 53 -4.722 -7.640 1.745 1.00 0.00 C ATOM 749 CG MET A 53 -5.971 -8.124 0.997 1.00 0.00 C ATOM 750 SD MET A 53 -7.455 -7.722 1.960 1.00 0.00 S ATOM 751 CE MET A 53 -7.495 -5.937 1.636 1.00 0.00 C ATOM 0 H MET A 53 -3.354 -9.989 1.623 1.00 0.00 H new ATOM 0 HA MET A 53 -3.487 -7.527 -0.021 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.685 -8.092 2.736 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.771 -6.561 1.888 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.024 -7.653 0.015 1.00 0.00 H new ATOM 0 HG3 MET A 53 -5.913 -9.200 0.832 1.00 0.00 H new ATOM 0 HE1 MET A 53 -7.636 -5.400 2.574 1.00 0.00 H new ATOM 0 HE2 MET A 53 -6.555 -5.629 1.179 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.319 -5.708 0.960 1.00 0.00 H new ATOM 761 N SER A 54 -1.765 -6.340 1.408 1.00 0.00 N ATOM 762 CA SER A 54 -0.627 -5.748 2.110 1.00 0.00 C ATOM 763 C SER A 54 -0.855 -4.267 2.329 1.00 0.00 C ATOM 764 O SER A 54 -1.078 -3.519 1.373 1.00 0.00 O ATOM 765 CB SER A 54 0.663 -5.963 1.321 1.00 0.00 C ATOM 766 OG SER A 54 1.736 -5.308 1.985 1.00 0.00 O ATOM 0 H SER A 54 -2.142 -5.762 0.657 1.00 0.00 H new ATOM 0 HA SER A 54 -0.531 -6.239 3.078 1.00 0.00 H new ATOM 0 HB2 SER A 54 0.873 -7.029 1.230 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.553 -5.572 0.310 1.00 0.00 H new ATOM 0 HG SER A 54 2.565 -5.446 1.481 1.00 0.00 H new ATOM 772 N LEU A 55 -0.798 -3.847 3.594 1.00 0.00 N ATOM 773 CA LEU A 55 -1.007 -2.443 3.941 1.00 0.00 C ATOM 774 C LEU A 55 -0.080 -2.010 5.069 1.00 0.00 C ATOM 775 O LEU A 55 0.314 -2.824 5.912 1.00 0.00 O ATOM 776 CB LEU A 55 -2.478 -2.192 4.332 1.00 0.00 C ATOM 777 CG LEU A 55 -2.883 -3.081 5.549 1.00 0.00 C ATOM 778 CD1 LEU A 55 -4.003 -2.394 6.351 1.00 0.00 C ATOM 779 CD2 LEU A 55 -3.376 -4.458 5.053 1.00 0.00 C ATOM 0 H LEU A 55 -0.610 -4.456 4.390 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.772 -1.845 3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.619 -1.140 4.580 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.127 -2.409 3.484 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.012 -3.219 6.190 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.280 -3.021 7.199 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.651 -1.428 6.713 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.872 -2.246 5.710 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.657 -5.073 5.908 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.241 -4.322 4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.579 -4.951 4.497 1.00 0.00 H new ATOM 791 N GLY A 56 0.253 -0.720 5.076 1.00 0.00 N ATOM 792 CA GLY A 56 1.126 -0.150 6.096 1.00 0.00 C ATOM 793 C GLY A 56 0.727 1.285 6.399 1.00 0.00 C ATOM 794 O GLY A 56 0.095 1.952 5.569 1.00 0.00 O ATOM 0 H GLY A 56 -0.072 -0.048 4.381 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.071 -0.748 7.005 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.161 -0.181 5.756 1.00 0.00 H new ATOM 798 N THR A 57 1.091 1.752 7.595 1.00 0.00 N ATOM 799 CA THR A 57 0.766 3.109 8.025 1.00 0.00 C ATOM 800 C THR A 57 2.014 3.814 8.531 1.00 0.00 C ATOM 801 O THR A 57 2.960 3.166 8.994 1.00 0.00 O ATOM 802 CB THR A 57 -0.285 3.075 9.151 1.00 0.00 C ATOM 803 OG1 THR A 57 0.251 2.388 10.273 1.00 0.00 O ATOM 804 CG2 THR A 57 -1.556 2.358 8.673 1.00 0.00 C ATOM 0 H THR A 57 1.612 1.208 8.282 1.00 0.00 H new ATOM 0 HA THR A 57 0.364 3.651 7.169 1.00 0.00 H new ATOM 0 HB THR A 57 -0.540 4.098 9.429 1.00 0.00 H new ATOM 0 HG1 THR A 57 -0.415 2.366 10.992 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.290 2.342 9.479 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.971 2.887 7.815 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.311 1.336 8.385 1.00 0.00 H new ATOM 812 N SER A 58 1.993 5.144 8.476 1.00 0.00 N ATOM 813 CA SER A 58 3.103 5.955 8.968 1.00 0.00 C ATOM 814 C SER A 58 3.196 5.850 10.487 1.00 0.00 C ATOM 815 O SER A 58 2.185 5.616 11.157 1.00 0.00 O ATOM 816 CB SER A 58 2.921 7.413 8.558 1.00 0.00 C ATOM 817 OG SER A 58 3.986 8.185 9.096 1.00 0.00 O ATOM 0 H SER A 58 1.216 5.684 8.094 1.00 0.00 H new ATOM 0 HA SER A 58 4.027 5.581 8.528 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.906 7.499 7.471 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.964 7.789 8.920 1.00 0.00 H new ATOM 0 HG SER A 58 4.383 8.733 8.387 1.00 0.00 H new ATOM 823 N GLU A 59 4.412 6.008 11.027 1.00 0.00 N ATOM 824 CA GLU A 59 4.618 5.931 12.482 1.00 0.00 C ATOM 825 C GLU A 59 3.735 6.958 13.221 1.00 0.00 C ATOM 826 O GLU A 59 3.309 6.722 14.355 1.00 0.00 O ATOM 827 CB GLU A 59 6.106 6.152 12.821 1.00 0.00 C ATOM 828 CG GLU A 59 6.554 7.561 12.362 1.00 0.00 C ATOM 829 CD GLU A 59 8.058 7.798 12.635 1.00 0.00 C ATOM 830 OE1 GLU A 59 8.717 6.905 13.162 1.00 0.00 O ATOM 831 OE2 GLU A 59 8.523 8.875 12.311 1.00 0.00 O ATOM 0 H GLU A 59 5.259 6.188 10.488 1.00 0.00 H new ATOM 0 HA GLU A 59 4.326 4.936 12.817 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.262 6.044 13.894 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.715 5.391 12.332 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.354 7.678 11.297 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.966 8.318 12.881 1.00 0.00 H new ATOM 838 N ASP A 60 3.427 8.067 12.536 1.00 0.00 N ATOM 839 CA ASP A 60 2.545 9.108 13.081 1.00 0.00 C ATOM 840 C ASP A 60 1.106 8.981 12.526 1.00 0.00 C ATOM 841 O ASP A 60 0.243 9.804 12.834 1.00 0.00 O ATOM 842 CB ASP A 60 3.101 10.496 12.753 1.00 0.00 C ATOM 843 CG ASP A 60 4.488 10.662 13.366 1.00 0.00 C ATOM 844 OD1 ASP A 60 4.646 10.329 14.529 1.00 0.00 O ATOM 845 OD2 ASP A 60 5.374 11.120 12.662 1.00 0.00 O ATOM 0 H ASP A 60 3.777 8.267 11.599 1.00 0.00 H new ATOM 0 HA ASP A 60 2.506 8.975 14.162 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.154 10.629 11.672 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.431 11.265 13.137 1.00 0.00 H new ATOM 850 N HIS A 61 0.865 7.943 11.698 1.00 0.00 N ATOM 851 CA HIS A 61 -0.455 7.700 11.086 1.00 0.00 C ATOM 852 C HIS A 61 -0.828 8.838 10.111 1.00 0.00 C ATOM 853 O HIS A 61 -2.008 9.041 9.806 1.00 0.00 O ATOM 854 CB HIS A 61 -1.554 7.577 12.179 1.00 0.00 C ATOM 855 CG HIS A 61 -1.172 6.548 13.244 1.00 0.00 C ATOM 856 ND1 HIS A 61 -1.817 6.496 14.471 1.00 0.00 N ATOM 857 CD2 HIS A 61 -0.211 5.555 13.288 1.00 0.00 C ATOM 858 CE1 HIS A 61 -1.248 5.511 15.191 1.00 0.00 C ATOM 859 NE2 HIS A 61 -0.264 4.906 14.517 1.00 0.00 N ATOM 0 H HIS A 61 1.573 7.257 11.438 1.00 0.00 H new ATOM 0 HA HIS A 61 -0.394 6.763 10.532 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -1.711 8.548 12.649 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -2.498 7.290 11.716 1.00 0.00 H new ATOM 0 HD1 HIS A 61 -2.584 7.096 14.773 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.477 5.319 12.489 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -1.550 5.242 16.192 1.00 0.00 H new ATOM 867 N GLN A 62 0.189 9.569 9.625 1.00 0.00 N ATOM 868 CA GLN A 62 -0.019 10.674 8.685 1.00 0.00 C ATOM 869 C GLN A 62 -0.359 10.175 7.278 1.00 0.00 C ATOM 870 O GLN A 62 -1.065 10.858 6.527 1.00 0.00 O ATOM 871 CB GLN A 62 1.214 11.600 8.650 1.00 0.00 C ATOM 872 CG GLN A 62 2.458 10.808 8.236 1.00 0.00 C ATOM 873 CD GLN A 62 3.654 11.743 8.093 1.00 0.00 C ATOM 874 OE1 GLN A 62 3.625 12.672 7.285 1.00 0.00 O ATOM 875 NE2 GLN A 62 4.711 11.553 8.836 1.00 0.00 N ATOM 0 H GLN A 62 1.166 9.410 9.871 1.00 0.00 H new ATOM 0 HA GLN A 62 -0.876 11.245 9.043 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.044 12.417 7.949 1.00 0.00 H new ATOM 0 HB3 GLN A 62 1.369 12.048 9.631 1.00 0.00 H new ATOM 0 HG2 GLN A 62 2.674 10.041 8.980 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.274 10.294 7.292 1.00 0.00 H new ATOM 0 HE21 GLN A 62 4.733 10.783 9.505 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.515 12.175 8.748 1.00 0.00 H new ATOM 884 N HIS A 63 0.138 8.975 6.929 1.00 0.00 N ATOM 885 CA HIS A 63 -0.130 8.384 5.615 1.00 0.00 C ATOM 886 C HIS A 63 -0.565 6.926 5.722 1.00 0.00 C ATOM 887 O HIS A 63 -0.032 6.162 6.532 1.00 0.00 O ATOM 888 CB HIS A 63 1.095 8.496 4.696 1.00 0.00 C ATOM 889 CG HIS A 63 1.403 9.941 4.426 1.00 0.00 C ATOM 890 ND1 HIS A 63 0.544 10.751 3.701 1.00 0.00 N ATOM 891 CD2 HIS A 63 2.475 10.731 4.752 1.00 0.00 C ATOM 892 CE1 HIS A 63 1.110 11.967 3.617 1.00 0.00 C ATOM 893 NE2 HIS A 63 2.289 12.010 4.241 1.00 0.00 N ATOM 0 H HIS A 63 0.723 8.402 7.537 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.953 8.951 5.179 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.954 8.013 5.161 1.00 0.00 H new ATOM 0 HB3 HIS A 63 0.905 7.974 3.758 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.335 10.408 5.320 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.665 12.808 3.106 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.918 12.809 4.325 1.00 0.00 H new ATOM 901 N PHE A 64 -1.526 6.550 4.875 1.00 0.00 N ATOM 902 CA PHE A 64 -2.043 5.178 4.830 1.00 0.00 C ATOM 903 C PHE A 64 -1.963 4.618 3.412 1.00 0.00 C ATOM 904 O PHE A 64 -2.252 5.325 2.447 1.00 0.00 O ATOM 905 CB PHE A 64 -3.502 5.150 5.298 1.00 0.00 C ATOM 906 CG PHE A 64 -3.584 5.524 6.759 1.00 0.00 C ATOM 907 CD1 PHE A 64 -3.637 6.868 7.137 1.00 0.00 C ATOM 908 CD2 PHE A 64 -3.621 4.523 7.735 1.00 0.00 C ATOM 909 CE1 PHE A 64 -3.723 7.209 8.491 1.00 0.00 C ATOM 910 CE2 PHE A 64 -3.708 4.865 9.088 1.00 0.00 C ATOM 911 CZ PHE A 64 -3.758 6.209 9.466 1.00 0.00 C ATOM 0 H PHE A 64 -1.966 7.182 4.205 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.432 4.564 5.492 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.097 5.843 4.703 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.923 4.156 5.145 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.612 7.643 6.385 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.582 3.484 7.443 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.762 8.248 8.783 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.737 4.091 9.840 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.824 6.475 10.511 1.00 0.00 H new ATOM 921 N THR A 65 -1.590 3.336 3.296 1.00 0.00 N ATOM 922 CA THR A 65 -1.505 2.674 1.986 1.00 0.00 C ATOM 923 C THR A 65 -2.033 1.240 2.052 1.00 0.00 C ATOM 924 O THR A 65 -1.695 0.488 2.973 1.00 0.00 O ATOM 925 CB THR A 65 -0.052 2.683 1.469 1.00 0.00 C ATOM 926 OG1 THR A 65 0.002 2.043 0.201 1.00 0.00 O ATOM 927 CG2 THR A 65 0.876 1.957 2.455 1.00 0.00 C ATOM 0 H THR A 65 -1.344 2.740 4.087 1.00 0.00 H new ATOM 0 HA THR A 65 -2.131 3.233 1.291 1.00 0.00 H new ATOM 0 HB THR A 65 0.282 3.716 1.375 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.925 2.049 -0.130 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.897 1.974 2.073 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.842 2.458 3.423 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.548 0.924 2.570 1.00 0.00 H new ATOM 935 N CYS A 66 -2.826 0.857 1.042 1.00 0.00 N ATOM 936 CA CYS A 66 -3.363 -0.502 0.953 1.00 0.00 C ATOM 937 C CYS A 66 -3.190 -1.063 -0.461 1.00 0.00 C ATOM 938 O CYS A 66 -3.489 -0.380 -1.445 1.00 0.00 O ATOM 939 CB CYS A 66 -4.841 -0.528 1.361 1.00 0.00 C ATOM 940 SG CYS A 66 -4.990 -0.071 3.114 1.00 0.00 S ATOM 0 H CYS A 66 -3.108 1.470 0.277 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.803 -1.133 1.643 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.413 0.165 0.743 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.258 -1.521 1.196 1.00 0.00 H new ATOM 945 N THR A 67 -2.694 -2.305 -0.553 1.00 0.00 N ATOM 946 CA THR A 67 -2.468 -2.955 -1.854 1.00 0.00 C ATOM 947 C THR A 67 -3.099 -4.354 -1.872 1.00 0.00 C ATOM 948 O THR A 67 -2.902 -5.143 -0.942 1.00 0.00 O ATOM 949 CB THR A 67 -0.956 -3.047 -2.127 1.00 0.00 C ATOM 950 OG1 THR A 67 -0.390 -1.746 -2.057 1.00 0.00 O ATOM 951 CG2 THR A 67 -0.695 -3.631 -3.527 1.00 0.00 C ATOM 0 H THR A 67 -2.442 -2.878 0.253 1.00 0.00 H new ATOM 0 HA THR A 67 -2.938 -2.359 -2.636 1.00 0.00 H new ATOM 0 HB THR A 67 -0.503 -3.699 -1.380 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.573 -1.799 -2.228 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.379 -3.689 -3.703 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.127 -4.630 -3.591 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.152 -2.989 -4.280 1.00 0.00 H new ATOM 959 N ILE A 68 -3.867 -4.645 -2.932 1.00 0.00 N ATOM 960 CA ILE A 68 -4.541 -5.950 -3.064 1.00 0.00 C ATOM 961 C ILE A 68 -4.220 -6.582 -4.432 1.00 0.00 C ATOM 962 O ILE A 68 -4.478 -5.972 -5.469 1.00 0.00 O ATOM 963 CB ILE A 68 -6.078 -5.770 -2.914 1.00 0.00 C ATOM 964 CG1 ILE A 68 -6.389 -5.092 -1.551 1.00 0.00 C ATOM 965 CG2 ILE A 68 -6.773 -7.155 -2.971 1.00 0.00 C ATOM 966 CD1 ILE A 68 -7.854 -4.628 -1.500 1.00 0.00 C ATOM 0 H ILE A 68 -4.038 -4.002 -3.705 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.179 -6.612 -2.277 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.449 -5.145 -3.726 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.195 -5.791 -0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.726 -4.239 -1.403 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.850 -7.026 -2.866 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.556 -7.632 -3.927 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.402 -7.782 -2.160 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.053 -4.156 -0.538 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.037 -3.911 -2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.512 -5.488 -1.625 1.00 0.00 H new ATOM 978 N TRP A 69 -3.694 -7.825 -4.421 1.00 0.00 N ATOM 979 CA TRP A 69 -3.377 -8.541 -5.682 1.00 0.00 C ATOM 980 C TRP A 69 -3.390 -10.070 -5.469 1.00 0.00 C ATOM 981 O TRP A 69 -3.333 -10.541 -4.326 1.00 0.00 O ATOM 982 CB TRP A 69 -1.997 -8.070 -6.237 1.00 0.00 C ATOM 983 CG TRP A 69 -0.878 -8.557 -5.359 1.00 0.00 C ATOM 984 CD1 TRP A 69 -0.063 -9.598 -5.645 1.00 0.00 C ATOM 985 CD2 TRP A 69 -0.481 -8.072 -4.057 1.00 0.00 C ATOM 986 NE1 TRP A 69 0.828 -9.763 -4.604 1.00 0.00 N ATOM 987 CE2 TRP A 69 0.608 -8.847 -3.597 1.00 0.00 C ATOM 988 CE3 TRP A 69 -0.951 -7.036 -3.240 1.00 0.00 C ATOM 989 CZ2 TRP A 69 1.207 -8.608 -2.368 1.00 0.00 C ATOM 990 CZ3 TRP A 69 -0.350 -6.790 -1.994 1.00 0.00 C ATOM 991 CH2 TRP A 69 0.729 -7.578 -1.563 1.00 0.00 C ATOM 0 H TRP A 69 -3.482 -8.349 -3.572 1.00 0.00 H new ATOM 0 HA TRP A 69 -4.147 -8.302 -6.416 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -1.860 -8.445 -7.251 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -1.974 -6.982 -6.294 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -0.103 -10.201 -6.540 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.559 -10.474 -4.582 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.778 -6.424 -3.569 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.037 -9.216 -2.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.719 -5.993 -1.366 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.189 -7.385 -0.605 1.00 0.00 H new ATOM 1002 N ARG A 70 -3.431 -10.834 -6.579 1.00 0.00 N ATOM 1003 CA ARG A 70 -3.406 -12.297 -6.491 1.00 0.00 C ATOM 1004 C ARG A 70 -1.934 -12.816 -6.377 1.00 0.00 C ATOM 1005 O ARG A 70 -1.008 -12.126 -6.810 1.00 0.00 O ATOM 1006 CB ARG A 70 -4.130 -12.946 -7.704 1.00 0.00 C ATOM 1007 CG ARG A 70 -3.291 -12.803 -8.981 1.00 0.00 C ATOM 1008 CD ARG A 70 -4.036 -13.400 -10.165 1.00 0.00 C ATOM 1009 NE ARG A 70 -5.199 -12.567 -10.507 1.00 0.00 N ATOM 1010 CZ ARG A 70 -5.104 -11.439 -11.262 1.00 0.00 C ATOM 1011 NH1 ARG A 70 -3.944 -11.025 -11.739 1.00 0.00 N ATOM 1012 NH2 ARG A 70 -6.177 -10.751 -11.520 1.00 0.00 N ATOM 0 H ARG A 70 -3.481 -10.465 -7.529 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.944 -12.590 -5.589 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.314 -14.001 -7.501 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.102 -12.474 -7.848 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.077 -11.751 -9.169 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.332 -13.306 -8.854 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.368 -13.475 -11.023 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.362 -14.412 -9.926 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.117 -12.847 -10.163 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.094 -11.554 -11.544 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.898 -10.176 -12.303 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.079 -11.058 -11.157 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.116 -9.904 -12.085 1.00 0.00 H new ATOM 1026 N PRO A 71 -1.712 -14.013 -5.816 1.00 0.00 N ATOM 1027 CA PRO A 71 -0.333 -14.599 -5.674 1.00 0.00 C ATOM 1028 C PRO A 71 0.175 -15.321 -6.938 1.00 0.00 C ATOM 1029 O PRO A 71 1.363 -15.253 -7.265 1.00 0.00 O ATOM 1030 CB PRO A 71 -0.527 -15.601 -4.560 1.00 0.00 C ATOM 1031 CG PRO A 71 -1.914 -16.116 -4.779 1.00 0.00 C ATOM 1032 CD PRO A 71 -2.737 -14.935 -5.254 1.00 0.00 C ATOM 0 HA PRO A 71 0.412 -13.825 -5.490 1.00 0.00 H new ATOM 0 HB2 PRO A 71 0.210 -16.403 -4.611 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.424 -15.135 -3.580 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.919 -16.916 -5.519 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.325 -16.531 -3.858 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.469 -15.230 -6.006 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.289 -14.473 -4.435 1.00 0.00 H new ATOM 1040 N GLN A 72 -0.723 -16.063 -7.599 1.00 0.00 N ATOM 1041 CA GLN A 72 -0.365 -16.868 -8.779 1.00 0.00 C ATOM 1042 C GLN A 72 0.086 -15.999 -9.942 1.00 0.00 C ATOM 1043 O GLN A 72 0.988 -16.373 -10.699 1.00 0.00 O ATOM 1044 CB GLN A 72 -1.550 -17.733 -9.208 1.00 0.00 C ATOM 1045 CG GLN A 72 -1.787 -18.837 -8.168 1.00 0.00 C ATOM 1046 CD GLN A 72 -3.086 -19.588 -8.472 1.00 0.00 C ATOM 1047 OE1 GLN A 72 -4.040 -19.008 -8.999 1.00 0.00 O ATOM 1048 NE2 GLN A 72 -3.179 -20.855 -8.171 1.00 0.00 N ATOM 0 H GLN A 72 -1.707 -16.124 -7.337 1.00 0.00 H new ATOM 0 HA GLN A 72 0.471 -17.508 -8.496 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.444 -17.118 -9.310 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.355 -18.176 -10.185 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.948 -19.533 -8.170 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.837 -18.401 -7.170 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.391 -21.335 -7.736 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.039 -21.365 -8.371 1.00 0.00 H new ATOM 1057 N GLY A 73 -0.582 -14.871 -10.102 1.00 0.00 N ATOM 1058 CA GLY A 73 -0.308 -13.948 -11.205 1.00 0.00 C ATOM 1059 C GLY A 73 -1.350 -14.085 -12.333 1.00 0.00 C ATOM 1060 O GLY A 73 -1.480 -13.187 -13.171 1.00 0.00 O ATOM 0 H GLY A 73 -1.328 -14.564 -9.478 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.308 -12.924 -10.832 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.688 -14.142 -11.603 1.00 0.00 H new ATOM 1064 N LYS A 74 -2.121 -15.196 -12.321 1.00 0.00 N ATOM 1065 CA LYS A 74 -3.175 -15.410 -13.315 1.00 0.00 C ATOM 1066 C LYS A 74 -4.446 -15.972 -12.662 1.00 0.00 C ATOM 1067 O LYS A 74 -4.432 -17.074 -12.107 1.00 0.00 O ATOM 1068 CB LYS A 74 -2.683 -16.387 -14.395 1.00 0.00 C ATOM 1069 CG LYS A 74 -1.714 -15.679 -15.358 1.00 0.00 C ATOM 1070 CD LYS A 74 -2.490 -14.786 -16.345 1.00 0.00 C ATOM 1071 CE LYS A 74 -3.187 -15.656 -17.400 1.00 0.00 C ATOM 1072 NZ LYS A 74 -3.809 -14.781 -18.432 1.00 0.00 N ATOM 0 H LYS A 74 -2.028 -15.947 -11.637 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.414 -14.447 -13.767 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -2.185 -17.236 -13.927 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.533 -16.783 -14.950 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.006 -15.075 -14.791 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.133 -16.419 -15.908 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.228 -14.190 -15.807 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.808 -14.087 -16.830 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.467 -16.330 -17.865 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.948 -16.278 -16.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.282 -15.370 -19.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -4.508 -14.156 -17.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.073 -14.206 -18.889 1.00 0.00 H new ATOM 1086 N SER A 75 -5.553 -15.227 -12.789 1.00 0.00 N ATOM 1087 CA SER A 75 -6.859 -15.670 -12.271 1.00 0.00 C ATOM 1088 C SER A 75 -7.868 -15.817 -13.406 1.00 0.00 C ATOM 1089 O SER A 75 -7.887 -15.000 -14.332 1.00 0.00 O ATOM 1090 CB SER A 75 -7.391 -14.681 -11.233 1.00 0.00 C ATOM 1091 OG SER A 75 -6.603 -14.758 -10.056 1.00 0.00 O ATOM 0 H SER A 75 -5.572 -14.315 -13.245 1.00 0.00 H new ATOM 0 HA SER A 75 -6.719 -16.641 -11.796 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.366 -13.668 -11.634 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.432 -14.906 -11.001 1.00 0.00 H new ATOM 0 HG SER A 75 -6.635 -15.671 -9.700 1.00 0.00 H new ATOM 1097 N TYR A 76 -8.727 -16.852 -13.320 1.00 0.00 N ATOM 1098 CA TYR A 76 -9.760 -17.073 -14.340 1.00 0.00 C ATOM 1099 C TYR A 76 -11.170 -16.948 -13.734 1.00 0.00 C ATOM 1100 O TYR A 76 -11.792 -17.946 -13.351 1.00 0.00 O ATOM 1101 CB TYR A 76 -9.573 -18.457 -14.987 1.00 0.00 C ATOM 1102 CG TYR A 76 -10.485 -18.593 -16.191 1.00 0.00 C ATOM 1103 CD1 TYR A 76 -10.068 -18.126 -17.445 1.00 0.00 C ATOM 1104 CD2 TYR A 76 -11.745 -19.185 -16.049 1.00 0.00 C ATOM 1105 CE1 TYR A 76 -10.912 -18.254 -18.556 1.00 0.00 C ATOM 1106 CE2 TYR A 76 -12.590 -19.312 -17.159 1.00 0.00 C ATOM 1107 CZ TYR A 76 -12.174 -18.846 -18.412 1.00 0.00 C ATOM 1108 OH TYR A 76 -13.009 -18.975 -19.508 1.00 0.00 O ATOM 0 H TYR A 76 -8.724 -17.537 -12.564 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.656 -16.306 -15.107 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.534 -18.589 -15.290 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.795 -19.240 -14.262 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.096 -17.668 -17.555 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.066 -19.544 -15.083 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.590 -17.897 -19.523 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.562 -19.769 -17.048 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.844 -19.408 -19.234 1.00 0.00 H new ATOM 1118 N LEU A 77 -11.675 -15.716 -13.709 1.00 0.00 N ATOM 1119 CA LEU A 77 -13.026 -15.426 -13.227 1.00 0.00 C ATOM 1120 C LEU A 77 -13.663 -14.349 -14.095 1.00 0.00 C ATOM 1121 O LEU A 77 -12.953 -13.473 -14.607 1.00 0.00 O ATOM 1122 CB LEU A 77 -13.006 -14.972 -11.752 1.00 0.00 C ATOM 1123 CG LEU A 77 -12.367 -16.077 -10.847 1.00 0.00 C ATOM 1124 CD1 LEU A 77 -10.855 -15.839 -10.694 1.00 0.00 C ATOM 1125 CD2 LEU A 77 -13.019 -16.052 -9.451 1.00 0.00 C ATOM 0 H LEU A 77 -11.161 -14.892 -14.021 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.616 -16.341 -13.291 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.440 -14.045 -11.658 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.021 -14.761 -11.416 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.534 -17.045 -11.318 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -10.426 -16.617 -10.062 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.381 -15.867 -11.675 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -10.685 -14.864 -10.237 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.570 -16.824 -8.826 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -12.860 -15.076 -8.993 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.089 -16.239 -9.546 1.00 0.00 H new ATOM 1137 N TYR A 78 -15.000 -14.384 -14.239 1.00 0.00 N ATOM 1138 CA TYR A 78 -15.691 -13.366 -15.024 1.00 0.00 C ATOM 1139 C TYR A 78 -16.150 -12.231 -14.110 1.00 0.00 C ATOM 1140 O TYR A 78 -17.275 -12.235 -13.609 1.00 0.00 O ATOM 1141 CB TYR A 78 -16.884 -13.988 -15.760 1.00 0.00 C ATOM 1142 CG TYR A 78 -17.452 -12.996 -16.751 1.00 0.00 C ATOM 1143 CD1 TYR A 78 -16.888 -12.883 -18.026 1.00 0.00 C ATOM 1144 CD2 TYR A 78 -18.545 -12.198 -16.395 1.00 0.00 C ATOM 1145 CE1 TYR A 78 -17.416 -11.971 -18.947 1.00 0.00 C ATOM 1146 CE2 TYR A 78 -19.074 -11.284 -17.316 1.00 0.00 C ATOM 1147 CZ TYR A 78 -18.509 -11.170 -18.592 1.00 0.00 C ATOM 1148 OH TYR A 78 -19.032 -10.270 -19.500 1.00 0.00 O ATOM 0 H TYR A 78 -15.606 -15.094 -13.828 1.00 0.00 H new ATOM 0 HA TYR A 78 -15.006 -12.958 -15.767 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -16.570 -14.894 -16.278 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -17.652 -14.280 -15.044 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -16.045 -13.500 -18.300 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -18.981 -12.287 -15.411 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -16.981 -11.885 -19.932 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -19.917 -10.668 -17.042 1.00 0.00 H new ATOM 0 HH TYR A 78 -19.787 -9.796 -19.093 1.00 0.00 H new ATOM 1158 N PHE A 79 -15.260 -11.261 -13.901 1.00 0.00 N ATOM 1159 CA PHE A 79 -15.555 -10.117 -13.034 1.00 0.00 C ATOM 1160 C PHE A 79 -16.470 -9.145 -13.735 1.00 0.00 C ATOM 1161 O PHE A 79 -16.134 -8.635 -14.790 1.00 0.00 O ATOM 1162 CB PHE A 79 -14.251 -9.395 -12.626 1.00 0.00 C ATOM 1163 CG PHE A 79 -13.714 -9.947 -11.312 1.00 0.00 C ATOM 1164 CD1 PHE A 79 -13.216 -11.253 -11.249 1.00 0.00 C ATOM 1165 CD2 PHE A 79 -13.713 -9.144 -10.161 1.00 0.00 C ATOM 1166 CE1 PHE A 79 -12.720 -11.755 -10.040 1.00 0.00 C ATOM 1167 CE2 PHE A 79 -13.218 -9.646 -8.956 1.00 0.00 C ATOM 1168 CZ PHE A 79 -12.721 -10.951 -8.894 1.00 0.00 C ATOM 0 H PHE A 79 -14.330 -11.243 -14.319 1.00 0.00 H new ATOM 0 HA PHE A 79 -16.050 -10.491 -12.138 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -13.503 -9.516 -13.409 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -14.438 -8.326 -12.527 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.214 -11.874 -12.133 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -14.096 -8.135 -10.208 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -12.336 -12.763 -9.991 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -13.219 -9.026 -8.072 1.00 0.00 H new ATOM 0 HZ PHE A 79 -12.338 -11.339 -7.962 1.00 0.00 H new ATOM 1178 N THR A 80 -17.610 -8.865 -13.105 1.00 0.00 N ATOM 1179 CA THR A 80 -18.571 -7.902 -13.637 1.00 0.00 C ATOM 1180 C THR A 80 -18.022 -6.482 -13.459 1.00 0.00 C ATOM 1181 O THR A 80 -18.108 -5.652 -14.367 1.00 0.00 O ATOM 1182 CB THR A 80 -19.925 -8.054 -12.913 1.00 0.00 C ATOM 1183 OG1 THR A 80 -20.391 -9.386 -13.076 1.00 0.00 O ATOM 1184 CG2 THR A 80 -20.960 -7.085 -13.505 1.00 0.00 C ATOM 0 H THR A 80 -17.891 -9.293 -12.223 1.00 0.00 H new ATOM 0 HA THR A 80 -18.726 -8.091 -14.699 1.00 0.00 H new ATOM 0 HB THR A 80 -19.790 -7.827 -11.856 1.00 0.00 H new ATOM 0 HG1 THR A 80 -21.250 -9.490 -12.617 1.00 0.00 H new ATOM 0 HG21 THR A 80 -21.910 -7.204 -12.984 1.00 0.00 H new ATOM 0 HG22 THR A 80 -20.608 -6.060 -13.388 1.00 0.00 H new ATOM 0 HG23 THR A 80 -21.098 -7.302 -14.564 1.00 0.00 H new ATOM 1192 N GLN A 81 -17.437 -6.229 -12.283 1.00 0.00 N ATOM 1193 CA GLN A 81 -16.836 -4.933 -11.975 1.00 0.00 C ATOM 1194 C GLN A 81 -16.142 -4.976 -10.624 1.00 0.00 C ATOM 1195 O GLN A 81 -16.393 -5.880 -9.819 1.00 0.00 O ATOM 1196 CB GLN A 81 -17.887 -3.805 -12.013 1.00 0.00 C ATOM 1197 CG GLN A 81 -19.025 -4.097 -11.020 1.00 0.00 C ATOM 1198 CD GLN A 81 -20.096 -3.016 -11.119 1.00 0.00 C ATOM 1199 OE1 GLN A 81 -20.369 -2.282 -10.075 1.00 0.00 O flip ATOM 1200 NE2 GLN A 81 -20.703 -2.836 -12.176 1.00 0.00 N flip ATOM 0 H GLN A 81 -17.369 -6.911 -11.527 1.00 0.00 H new ATOM 0 HA GLN A 81 -16.091 -4.718 -12.741 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.417 -2.853 -11.767 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.291 -3.710 -13.021 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -19.462 -5.073 -11.232 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -18.631 -4.138 -10.005 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -20.489 -3.410 -12.991 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -21.420 -2.113 -12.236 1.00 0.00 H new ATOM 1209 N PHE A 82 -15.273 -3.995 -10.379 1.00 0.00 N ATOM 1210 CA PHE A 82 -14.543 -3.919 -9.116 1.00 0.00 C ATOM 1211 C PHE A 82 -14.318 -2.485 -8.700 1.00 0.00 C ATOM 1212 O PHE A 82 -14.209 -1.596 -9.551 1.00 0.00 O ATOM 1213 CB PHE A 82 -13.210 -4.655 -9.229 1.00 0.00 C ATOM 1214 CG PHE A 82 -12.357 -4.070 -10.347 1.00 0.00 C ATOM 1215 CD1 PHE A 82 -11.458 -3.035 -10.075 1.00 0.00 C ATOM 1216 CD2 PHE A 82 -12.483 -4.567 -11.649 1.00 0.00 C ATOM 1217 CE1 PHE A 82 -10.683 -2.495 -11.108 1.00 0.00 C ATOM 1218 CE2 PHE A 82 -11.708 -4.029 -12.681 1.00 0.00 C ATOM 1219 CZ PHE A 82 -10.809 -2.995 -12.411 1.00 0.00 C ATOM 0 H PHE A 82 -15.059 -3.245 -11.037 1.00 0.00 H new ATOM 0 HA PHE A 82 -15.148 -4.400 -8.348 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -12.672 -4.588 -8.283 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.390 -5.713 -9.419 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -11.361 -2.653 -9.070 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -13.179 -5.366 -11.857 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -9.989 -1.694 -10.901 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.805 -4.413 -13.686 1.00 0.00 H new ATOM 0 HZ PHE A 82 -10.210 -2.580 -13.208 1.00 0.00 H new ATOM 1229 N LYS A 83 -14.280 -2.254 -7.379 1.00 0.00 N ATOM 1230 CA LYS A 83 -14.115 -0.899 -6.856 1.00 0.00 C ATOM 1231 C LYS A 83 -13.291 -0.910 -5.573 1.00 0.00 C ATOM 1232 O LYS A 83 -13.362 -1.861 -4.795 1.00 0.00 O ATOM 1233 CB LYS A 83 -15.500 -0.262 -6.600 1.00 0.00 C ATOM 1234 CG LYS A 83 -16.356 -0.389 -7.875 1.00 0.00 C ATOM 1235 CD LYS A 83 -17.609 0.473 -7.764 1.00 0.00 C ATOM 1236 CE LYS A 83 -18.426 0.330 -9.050 1.00 0.00 C ATOM 1237 NZ LYS A 83 -19.650 1.176 -8.960 1.00 0.00 N ATOM 0 H LYS A 83 -14.360 -2.979 -6.666 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.581 -0.304 -7.596 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -15.994 -0.758 -5.765 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -15.387 0.787 -6.326 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -15.773 -0.083 -8.744 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.637 -1.431 -8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.203 0.165 -6.904 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -17.336 1.516 -7.605 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -17.826 0.630 -9.909 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -18.703 -0.713 -9.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -20.381 0.798 -9.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -20.005 1.170 -7.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -19.419 2.151 -9.238 1.00 0.00 H new ATOM 1251 N ALA A 84 -12.532 0.168 -5.348 1.00 0.00 N ATOM 1252 CA ALA A 84 -11.705 0.296 -4.145 1.00 0.00 C ATOM 1253 C ALA A 84 -11.944 1.644 -3.491 1.00 0.00 C ATOM 1254 O ALA A 84 -12.037 2.663 -4.181 1.00 0.00 O ATOM 1255 CB ALA A 84 -10.225 0.148 -4.504 1.00 0.00 C ATOM 0 H ALA A 84 -12.474 0.964 -5.983 1.00 0.00 H new ATOM 0 HA ALA A 84 -11.980 -0.493 -3.445 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.620 0.245 -3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.055 -0.831 -4.951 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.944 0.925 -5.215 1.00 0.00 H new ATOM 1261 N GLU A 85 -12.073 1.648 -2.161 1.00 0.00 N ATOM 1262 CA GLU A 85 -12.349 2.883 -1.432 1.00 0.00 C ATOM 1263 C GLU A 85 -11.737 2.847 -0.029 1.00 0.00 C ATOM 1264 O GLU A 85 -11.317 1.793 0.436 1.00 0.00 O ATOM 1265 CB GLU A 85 -13.872 3.120 -1.376 1.00 0.00 C ATOM 1266 CG GLU A 85 -14.563 1.972 -0.617 1.00 0.00 C ATOM 1267 CD GLU A 85 -16.070 2.039 -0.817 1.00 0.00 C ATOM 1268 OE1 GLU A 85 -16.548 1.432 -1.760 1.00 0.00 O ATOM 1269 OE2 GLU A 85 -16.725 2.697 -0.026 1.00 0.00 O ATOM 0 H GLU A 85 -11.991 0.817 -1.575 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.885 3.716 -1.960 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.081 4.069 -0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.274 3.191 -2.387 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.185 1.013 -0.971 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.327 2.035 0.445 1.00 0.00 H new ATOM 1276 N VAL A 86 -11.668 4.018 0.623 1.00 0.00 N ATOM 1277 CA VAL A 86 -11.077 4.121 1.971 1.00 0.00 C ATOM 1278 C VAL A 86 -12.020 4.823 2.943 1.00 0.00 C ATOM 1279 O VAL A 86 -12.945 5.527 2.526 1.00 0.00 O ATOM 1280 CB VAL A 86 -9.729 4.861 1.929 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -8.732 4.071 1.080 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -9.908 6.267 1.323 1.00 0.00 C ATOM 0 H VAL A 86 -12.010 4.901 0.245 1.00 0.00 H new ATOM 0 HA VAL A 86 -10.911 3.104 2.326 1.00 0.00 H new ATOM 0 HB VAL A 86 -9.352 4.956 2.948 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.779 4.599 1.053 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.587 3.082 1.515 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.119 3.968 0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.946 6.778 1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -10.297 6.179 0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -10.608 6.839 1.932 1.00 0.00 H new ATOM 1292 N ARG A 87 -11.776 4.615 4.245 1.00 0.00 N ATOM 1293 CA ARG A 87 -12.610 5.223 5.290 1.00 0.00 C ATOM 1294 C ARG A 87 -11.754 5.948 6.328 1.00 0.00 C ATOM 1295 O ARG A 87 -10.717 5.435 6.760 1.00 0.00 O ATOM 1296 CB ARG A 87 -13.455 4.148 5.994 1.00 0.00 C ATOM 1297 CG ARG A 87 -14.362 3.424 4.983 1.00 0.00 C ATOM 1298 CD ARG A 87 -15.525 4.332 4.577 1.00 0.00 C ATOM 1299 NE ARG A 87 -16.425 4.559 5.728 1.00 0.00 N ATOM 1300 CZ ARG A 87 -16.607 5.771 6.327 1.00 0.00 C ATOM 1301 NH1 ARG A 87 -15.970 6.857 5.921 1.00 0.00 N ATOM 1302 NH2 ARG A 87 -17.436 5.861 7.331 1.00 0.00 N ATOM 0 H ARG A 87 -11.014 4.035 4.597 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.266 5.947 4.807 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.801 3.427 6.485 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -14.064 4.608 6.772 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.785 3.142 4.102 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.745 2.503 5.421 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -15.141 5.285 4.213 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -16.080 3.878 3.756 1.00 0.00 H new ATOM 0 HE ARG A 87 -16.941 3.760 6.097 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -15.319 6.804 5.137 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -16.130 7.748 6.392 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -17.935 5.033 7.656 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -17.584 6.759 7.791 1.00 0.00 H new ATOM 1316 N GLY A 88 -12.224 7.129 6.752 1.00 0.00 N ATOM 1317 CA GLY A 88 -11.531 7.920 7.780 1.00 0.00 C ATOM 1318 C GLY A 88 -10.342 8.721 7.215 1.00 0.00 C ATOM 1319 O GLY A 88 -9.616 9.372 7.976 1.00 0.00 O ATOM 0 H GLY A 88 -13.080 7.558 6.400 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.240 8.607 8.242 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.174 7.254 8.566 1.00 0.00 H new ATOM 1323 N ALA A 89 -10.135 8.651 5.891 1.00 0.00 N ATOM 1324 CA ALA A 89 -9.022 9.345 5.247 1.00 0.00 C ATOM 1325 C ALA A 89 -9.355 9.684 3.801 1.00 0.00 C ATOM 1326 O ALA A 89 -10.292 9.124 3.222 1.00 0.00 O ATOM 1327 CB ALA A 89 -7.763 8.479 5.297 1.00 0.00 C ATOM 0 H ALA A 89 -10.726 8.120 5.251 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.844 10.274 5.788 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.940 9.006 4.814 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.503 8.274 6.336 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.947 7.539 4.777 1.00 0.00 H new ATOM 1333 N GLU A 90 -8.565 10.590 3.217 1.00 0.00 N ATOM 1334 CA GLU A 90 -8.750 10.996 1.824 1.00 0.00 C ATOM 1335 C GLU A 90 -7.686 10.343 0.947 1.00 0.00 C ATOM 1336 O GLU A 90 -6.572 10.085 1.408 1.00 0.00 O ATOM 1337 CB GLU A 90 -8.688 12.535 1.695 1.00 0.00 C ATOM 1338 CG GLU A 90 -7.323 13.066 2.202 1.00 0.00 C ATOM 1339 CD GLU A 90 -7.252 14.610 2.133 1.00 0.00 C ATOM 1340 OE1 GLU A 90 -8.154 15.223 1.569 1.00 0.00 O ATOM 1341 OE2 GLU A 90 -6.291 15.153 2.652 1.00 0.00 O ATOM 0 H GLU A 90 -7.790 11.056 3.690 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.733 10.666 1.489 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.834 12.825 0.655 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.497 12.987 2.269 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.164 12.739 3.230 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.520 12.637 1.603 1.00 0.00 H new ATOM 1348 N ILE A 91 -8.053 10.038 -0.298 1.00 0.00 N ATOM 1349 CA ILE A 91 -7.141 9.357 -1.221 1.00 0.00 C ATOM 1350 C ILE A 91 -6.273 10.369 -1.974 1.00 0.00 C ATOM 1351 O ILE A 91 -6.790 11.256 -2.662 1.00 0.00 O ATOM 1352 CB ILE A 91 -7.946 8.473 -2.220 1.00 0.00 C ATOM 1353 CG1 ILE A 91 -8.779 7.431 -1.431 1.00 0.00 C ATOM 1354 CG2 ILE A 91 -6.971 7.726 -3.163 1.00 0.00 C ATOM 1355 CD1 ILE A 91 -9.814 6.769 -2.356 1.00 0.00 C ATOM 0 H ILE A 91 -8.970 10.250 -0.690 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.481 8.713 -0.640 1.00 0.00 H new ATOM 0 HB ILE A 91 -8.607 9.110 -2.807 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.120 6.672 -1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -9.284 7.916 -0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.539 7.109 -3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -6.377 8.450 -3.721 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.309 7.092 -2.574 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -10.393 6.039 -1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -10.483 7.530 -2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -9.301 6.268 -3.177 1.00 0.00 H new ATOM 1367 N GLU A 92 -4.949 10.187 -1.876 1.00 0.00 N ATOM 1368 CA GLU A 92 -4.001 11.039 -2.590 1.00 0.00 C ATOM 1369 C GLU A 92 -3.857 10.564 -4.028 1.00 0.00 C ATOM 1370 O GLU A 92 -3.808 11.374 -4.959 1.00 0.00 O ATOM 1371 CB GLU A 92 -2.628 11.001 -1.918 1.00 0.00 C ATOM 1372 CG GLU A 92 -2.680 11.717 -0.564 1.00 0.00 C ATOM 1373 CD GLU A 92 -1.326 11.593 0.163 1.00 0.00 C ATOM 1374 OE1 GLU A 92 -0.666 10.573 0.003 1.00 0.00 O ATOM 1375 OE2 GLU A 92 -0.968 12.529 0.859 1.00 0.00 O ATOM 0 H GLU A 92 -4.515 9.458 -1.309 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.382 12.060 -2.571 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.312 9.967 -1.779 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.887 11.477 -2.561 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.926 12.769 -0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.471 11.288 0.051 1.00 0.00 H new ATOM 1382 N TYR A 93 -3.802 9.235 -4.199 1.00 0.00 N ATOM 1383 CA TYR A 93 -3.678 8.633 -5.520 1.00 0.00 C ATOM 1384 C TYR A 93 -4.076 7.161 -5.472 1.00 0.00 C ATOM 1385 O TYR A 93 -3.650 6.426 -4.575 1.00 0.00 O ATOM 1386 CB TYR A 93 -2.238 8.756 -6.020 1.00 0.00 C ATOM 1387 CG TYR A 93 -2.190 8.491 -7.511 1.00 0.00 C ATOM 1388 CD1 TYR A 93 -2.334 9.555 -8.413 1.00 0.00 C ATOM 1389 CD2 TYR A 93 -2.012 7.189 -7.989 1.00 0.00 C ATOM 1390 CE1 TYR A 93 -2.298 9.315 -9.791 1.00 0.00 C ATOM 1391 CE2 TYR A 93 -1.974 6.951 -9.368 1.00 0.00 C ATOM 1392 CZ TYR A 93 -2.117 8.013 -10.268 1.00 0.00 C ATOM 1393 OH TYR A 93 -2.082 7.775 -11.628 1.00 0.00 O ATOM 0 H TYR A 93 -3.842 8.562 -3.433 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.344 9.160 -6.203 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.852 9.753 -5.806 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.599 8.047 -5.494 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.473 10.560 -8.044 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.904 6.368 -7.295 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.410 10.134 -10.486 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.834 5.946 -9.738 1.00 0.00 H new ATOM 0 HH TYR A 93 -1.948 6.818 -11.789 1.00 0.00 H new ATOM 1403 N ALA A 94 -4.872 6.736 -6.452 1.00 0.00 N ATOM 1404 CA ALA A 94 -5.308 5.344 -6.545 1.00 0.00 C ATOM 1405 C ALA A 94 -5.250 4.864 -7.989 1.00 0.00 C ATOM 1406 O ALA A 94 -5.614 5.601 -8.910 1.00 0.00 O ATOM 1407 CB ALA A 94 -6.732 5.198 -6.004 1.00 0.00 C ATOM 0 H ALA A 94 -5.229 7.338 -7.194 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.636 4.731 -5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.045 4.157 -6.079 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.758 5.511 -4.960 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.409 5.823 -6.587 1.00 0.00 H new ATOM 1413 N MET A 95 -4.784 3.626 -8.177 1.00 0.00 N ATOM 1414 CA MET A 95 -4.669 3.038 -9.510 1.00 0.00 C ATOM 1415 C MET A 95 -4.646 1.512 -9.439 1.00 0.00 C ATOM 1416 O MET A 95 -4.602 0.932 -8.349 1.00 0.00 O ATOM 1417 CB MET A 95 -3.420 3.578 -10.244 1.00 0.00 C ATOM 1418 CG MET A 95 -2.136 3.159 -9.512 1.00 0.00 C ATOM 1419 SD MET A 95 -0.698 3.817 -10.398 1.00 0.00 S ATOM 1420 CE MET A 95 -0.853 2.794 -11.882 1.00 0.00 C ATOM 0 H MET A 95 -4.481 3.013 -7.420 1.00 0.00 H new ATOM 0 HA MET A 95 -5.549 3.330 -10.082 1.00 0.00 H new ATOM 0 HB2 MET A 95 -3.401 3.200 -11.266 1.00 0.00 H new ATOM 0 HB3 MET A 95 -3.471 4.665 -10.307 1.00 0.00 H new ATOM 0 HG2 MET A 95 -2.149 3.533 -8.488 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.075 2.072 -9.454 1.00 0.00 H new ATOM 0 HE1 MET A 95 0.125 2.679 -12.348 1.00 0.00 H new ATOM 0 HE2 MET A 95 -1.242 1.813 -11.609 1.00 0.00 H new ATOM 0 HE3 MET A 95 -1.536 3.273 -12.584 1.00 0.00 H new ATOM 1430 N ALA A 96 -4.695 0.877 -10.609 1.00 0.00 N ATOM 1431 CA ALA A 96 -4.696 -0.581 -10.701 1.00 0.00 C ATOM 1432 C ALA A 96 -3.771 -1.041 -11.826 1.00 0.00 C ATOM 1433 O ALA A 96 -3.570 -0.317 -12.797 1.00 0.00 O ATOM 1434 CB ALA A 96 -6.128 -1.083 -10.957 1.00 0.00 C ATOM 0 H ALA A 96 -4.735 1.353 -11.510 1.00 0.00 H new ATOM 0 HA ALA A 96 -4.333 -0.996 -9.761 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.125 -2.171 -11.025 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.775 -0.772 -10.136 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.500 -0.662 -11.891 1.00 0.00 H new ATOM 1440 N TYR A 97 -3.212 -2.252 -11.688 1.00 0.00 N ATOM 1441 CA TYR A 97 -2.323 -2.808 -12.725 1.00 0.00 C ATOM 1442 C TYR A 97 -2.920 -4.076 -13.329 1.00 0.00 C ATOM 1443 O TYR A 97 -2.932 -5.131 -12.685 1.00 0.00 O ATOM 1444 CB TYR A 97 -0.954 -3.128 -12.133 1.00 0.00 C ATOM 1445 CG TYR A 97 -0.245 -1.853 -11.733 1.00 0.00 C ATOM 1446 CD1 TYR A 97 -0.430 -1.320 -10.452 1.00 0.00 C ATOM 1447 CD2 TYR A 97 0.605 -1.210 -12.642 1.00 0.00 C ATOM 1448 CE1 TYR A 97 0.233 -0.147 -10.078 1.00 0.00 C ATOM 1449 CE2 TYR A 97 1.267 -0.034 -12.267 1.00 0.00 C ATOM 1450 CZ TYR A 97 1.081 0.496 -10.984 1.00 0.00 C ATOM 1451 OH TYR A 97 1.734 1.656 -10.615 1.00 0.00 O ATOM 0 H TYR A 97 -3.355 -2.860 -10.881 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.214 -2.059 -13.510 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.068 -3.777 -11.264 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.354 -3.673 -12.861 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.086 -1.815 -9.751 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.750 -1.620 -13.630 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.090 0.262 -9.089 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.921 0.464 -12.967 1.00 0.00 H new ATOM 0 HH TYR A 97 1.133 2.212 -10.076 1.00 0.00 H new ATOM 1461 N SER A 98 -3.399 -3.973 -14.579 1.00 0.00 N ATOM 1462 CA SER A 98 -3.977 -5.126 -15.280 1.00 0.00 C ATOM 1463 C SER A 98 -2.921 -6.196 -15.522 1.00 0.00 C ATOM 1464 O SER A 98 -3.186 -7.394 -15.368 1.00 0.00 O ATOM 1465 CB SER A 98 -4.583 -4.693 -16.614 1.00 0.00 C ATOM 1466 OG SER A 98 -5.686 -3.831 -16.372 1.00 0.00 O ATOM 0 H SER A 98 -3.397 -3.108 -15.120 1.00 0.00 H new ATOM 0 HA SER A 98 -4.762 -5.542 -14.649 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.833 -4.182 -17.218 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.907 -5.567 -17.180 1.00 0.00 H new ATOM 0 HG SER A 98 -6.521 -4.309 -16.555 1.00 0.00 H new ATOM 1472 N LYS A 99 -1.720 -5.750 -15.901 1.00 0.00 N ATOM 1473 CA LYS A 99 -0.602 -6.657 -16.170 1.00 0.00 C ATOM 1474 C LYS A 99 0.726 -5.996 -15.802 1.00 0.00 C ATOM 1475 O LYS A 99 0.961 -4.828 -16.130 1.00 0.00 O ATOM 1476 CB LYS A 99 -0.593 -7.071 -17.657 1.00 0.00 C ATOM 1477 CG LYS A 99 0.489 -8.149 -17.917 1.00 0.00 C ATOM 1478 CD LYS A 99 0.064 -9.511 -17.328 1.00 0.00 C ATOM 1479 CE LYS A 99 -1.053 -10.122 -18.181 1.00 0.00 C ATOM 1480 NZ LYS A 99 -1.334 -11.509 -17.711 1.00 0.00 N ATOM 0 H LYS A 99 -1.497 -4.763 -16.029 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.729 -7.549 -15.557 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.573 -7.456 -17.939 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.402 -6.198 -18.282 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.658 -8.249 -18.989 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.434 -7.836 -17.473 1.00 0.00 H new ATOM 0 HD2 LYS A 99 0.919 -10.186 -17.296 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.279 -9.382 -16.302 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -1.954 -9.513 -18.110 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.759 -10.135 -19.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.092 -11.925 -18.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -0.474 -12.087 -17.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.632 -11.484 -16.715 1.00 0.00 H new ATOM 1494 N ALA A 100 1.590 -6.762 -15.135 1.00 0.00 N ATOM 1495 CA ALA A 100 2.908 -6.274 -14.729 1.00 0.00 C ATOM 1496 C ALA A 100 3.904 -6.400 -15.876 1.00 0.00 C ATOM 1497 O ALA A 100 3.860 -7.369 -16.642 1.00 0.00 O ATOM 1498 CB ALA A 100 3.413 -7.060 -13.518 1.00 0.00 C ATOM 0 H ALA A 100 1.399 -7.727 -14.864 1.00 0.00 H new ATOM 0 HA ALA A 100 2.815 -5.222 -14.460 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.395 -6.687 -13.226 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.717 -6.937 -12.688 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.488 -8.116 -13.775 1.00 0.00 H new ATOM 1599 N ASP A 107 3.943 -3.042 -18.931 1.00 0.00 N ATOM 1600 CA ASP A 107 2.986 -2.882 -17.830 1.00 0.00 C ATOM 1601 C ASP A 107 1.757 -2.118 -18.296 1.00 0.00 C ATOM 1602 O ASP A 107 1.877 -1.033 -18.876 1.00 0.00 O ATOM 1603 CB ASP A 107 3.637 -2.135 -16.658 1.00 0.00 C ATOM 1604 CG ASP A 107 2.665 -2.043 -15.483 1.00 0.00 C ATOM 1605 OD1 ASP A 107 1.931 -1.071 -15.423 1.00 0.00 O ATOM 1606 OD2 ASP A 107 2.669 -2.945 -14.663 1.00 0.00 O ATOM 0 HA ASP A 107 2.684 -3.876 -17.499 1.00 0.00 H new ATOM 0 HB2 ASP A 107 4.545 -2.652 -16.348 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.932 -1.134 -16.974 1.00 0.00 H new ATOM 1611 N VAL A 108 0.574 -2.681 -18.027 1.00 0.00 N ATOM 1612 CA VAL A 108 -0.689 -2.033 -18.410 1.00 0.00 C ATOM 1613 C VAL A 108 -1.450 -1.543 -17.139 1.00 0.00 C ATOM 1614 O VAL A 108 -2.049 -2.362 -16.436 1.00 0.00 O ATOM 1615 CB VAL A 108 -1.572 -3.038 -19.203 1.00 0.00 C ATOM 1616 CG1 VAL A 108 -2.897 -2.373 -19.623 1.00 0.00 C ATOM 1617 CG2 VAL A 108 -0.828 -3.500 -20.466 1.00 0.00 C ATOM 0 H VAL A 108 0.463 -3.576 -17.550 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.470 -1.171 -19.040 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.783 -3.893 -18.560 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.504 -3.089 -20.177 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.439 -2.049 -18.735 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.687 -1.510 -20.255 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.451 -4.204 -21.018 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.610 -2.637 -21.096 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.105 -3.987 -20.181 1.00 0.00 H new ATOM 1627 N PRO A 109 -1.487 -0.216 -16.858 1.00 0.00 N ATOM 1628 CA PRO A 109 -2.242 0.338 -15.701 1.00 0.00 C ATOM 1629 C PRO A 109 -3.667 0.740 -16.086 1.00 0.00 C ATOM 1630 O PRO A 109 -3.882 1.344 -17.143 1.00 0.00 O ATOM 1631 CB PRO A 109 -1.426 1.566 -15.346 1.00 0.00 C ATOM 1632 CG PRO A 109 -0.985 2.104 -16.673 1.00 0.00 C ATOM 1633 CD PRO A 109 -0.806 0.890 -17.599 1.00 0.00 C ATOM 0 HA PRO A 109 -2.358 -0.378 -14.888 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.021 2.296 -14.797 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -0.574 1.311 -14.716 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -1.726 2.794 -17.077 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -0.052 2.659 -16.576 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -1.261 1.059 -18.575 1.00 0.00 H new ATOM 0 HD3 PRO A 109 0.247 0.669 -17.772 1.00 0.00 H new ATOM 1641 N LEU A 110 -4.625 0.454 -15.201 1.00 0.00 N ATOM 1642 CA LEU A 110 -6.021 0.843 -15.422 1.00 0.00 C ATOM 1643 C LEU A 110 -6.232 2.303 -15.015 1.00 0.00 C ATOM 1644 O LEU A 110 -5.665 2.766 -14.020 1.00 0.00 O ATOM 1645 CB LEU A 110 -6.961 -0.076 -14.625 1.00 0.00 C ATOM 1646 CG LEU A 110 -6.900 -1.511 -15.197 1.00 0.00 C ATOM 1647 CD1 LEU A 110 -7.605 -2.485 -14.235 1.00 0.00 C ATOM 1648 CD2 LEU A 110 -7.606 -1.563 -16.569 1.00 0.00 C ATOM 0 H LEU A 110 -4.461 -0.044 -14.326 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.251 0.740 -16.482 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.674 -0.081 -13.574 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -7.982 0.302 -14.675 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.855 -1.798 -15.313 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.560 -3.495 -14.642 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.108 -2.462 -13.265 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.647 -2.188 -14.116 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.558 -2.578 -16.965 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.649 -1.267 -16.453 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.110 -0.881 -17.259 1.00 0.00 H new ATOM 1660 N LYS A 111 -7.013 3.034 -15.821 1.00 0.00 N ATOM 1661 CA LYS A 111 -7.257 4.460 -15.577 1.00 0.00 C ATOM 1662 C LYS A 111 -8.429 4.684 -14.614 1.00 0.00 C ATOM 1663 O LYS A 111 -9.356 3.870 -14.548 1.00 0.00 O ATOM 1664 CB LYS A 111 -7.505 5.187 -16.919 1.00 0.00 C ATOM 1665 CG LYS A 111 -8.784 4.639 -17.612 1.00 0.00 C ATOM 1666 CD LYS A 111 -8.697 4.833 -19.148 1.00 0.00 C ATOM 1667 CE LYS A 111 -8.794 6.327 -19.513 1.00 0.00 C ATOM 1668 NZ LYS A 111 -8.779 6.480 -20.995 1.00 0.00 N ATOM 0 H LYS A 111 -7.485 2.662 -16.645 1.00 0.00 H new ATOM 0 HA LYS A 111 -6.369 4.876 -15.101 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -7.610 6.258 -16.744 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -6.645 5.054 -17.575 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -8.905 3.581 -17.380 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -9.663 5.153 -17.224 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -7.758 4.423 -19.519 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -9.501 4.281 -19.636 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -9.709 6.754 -19.102 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -7.961 6.875 -19.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -8.844 7.488 -21.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -7.894 6.088 -21.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -9.588 5.971 -21.405 1.00 0.00 H new ATOM 1682 N THR A 112 -8.381 5.806 -13.885 1.00 0.00 N ATOM 1683 CA THR A 112 -9.445 6.167 -12.933 1.00 0.00 C ATOM 1684 C THR A 112 -10.773 6.484 -13.654 1.00 0.00 C ATOM 1685 O THR A 112 -11.835 6.476 -13.038 1.00 0.00 O ATOM 1686 CB THR A 112 -9.009 7.363 -12.062 1.00 0.00 C ATOM 1687 OG1 THR A 112 -10.045 7.679 -11.142 1.00 0.00 O ATOM 1688 CG2 THR A 112 -8.706 8.587 -12.939 1.00 0.00 C ATOM 0 H THR A 112 -7.618 6.481 -13.934 1.00 0.00 H new ATOM 0 HA THR A 112 -9.615 5.304 -12.289 1.00 0.00 H new ATOM 0 HB THR A 112 -8.104 7.092 -11.519 1.00 0.00 H new ATOM 0 HG1 THR A 112 -9.769 8.438 -10.587 1.00 0.00 H new ATOM 0 HG21 THR A 112 -8.400 9.421 -12.307 1.00 0.00 H new ATOM 0 HG22 THR A 112 -7.903 8.346 -13.635 1.00 0.00 H new ATOM 0 HG23 THR A 112 -9.600 8.864 -13.498 1.00 0.00 H new ATOM 1696 N GLU A 113 -10.689 6.763 -14.957 1.00 0.00 N ATOM 1697 CA GLU A 113 -11.861 7.080 -15.772 1.00 0.00 C ATOM 1698 C GLU A 113 -12.838 5.897 -15.831 1.00 0.00 C ATOM 1699 O GLU A 113 -14.015 6.087 -16.103 1.00 0.00 O ATOM 1700 CB GLU A 113 -11.424 7.445 -17.180 1.00 0.00 C ATOM 1701 CG GLU A 113 -12.589 8.069 -17.944 1.00 0.00 C ATOM 1702 CD GLU A 113 -12.125 8.521 -19.323 1.00 0.00 C ATOM 1703 OE1 GLU A 113 -11.689 7.676 -20.086 1.00 0.00 O ATOM 1704 OE2 GLU A 113 -12.214 9.706 -19.596 1.00 0.00 O ATOM 0 H GLU A 113 -9.810 6.775 -15.474 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.373 7.924 -15.311 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.589 8.144 -17.140 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -11.071 6.556 -17.702 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -13.399 7.346 -18.043 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -12.986 8.919 -17.388 1.00 0.00 H new ATOM 1711 N GLU A 114 -12.315 4.674 -15.661 1.00 0.00 N ATOM 1712 CA GLU A 114 -13.125 3.455 -15.767 1.00 0.00 C ATOM 1713 C GLU A 114 -14.205 3.411 -14.688 1.00 0.00 C ATOM 1714 O GLU A 114 -15.328 2.961 -14.944 1.00 0.00 O ATOM 1715 CB GLU A 114 -12.220 2.229 -15.642 1.00 0.00 C ATOM 1716 CG GLU A 114 -11.322 2.136 -16.888 1.00 0.00 C ATOM 1717 CD GLU A 114 -10.157 1.144 -16.680 1.00 0.00 C ATOM 1718 OE1 GLU A 114 -10.184 0.390 -15.712 1.00 0.00 O ATOM 1719 OE2 GLU A 114 -9.247 1.166 -17.493 1.00 0.00 O ATOM 0 H GLU A 114 -11.332 4.504 -15.449 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.618 3.455 -16.739 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -11.609 2.303 -14.743 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -12.822 1.326 -15.544 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -11.919 1.822 -17.744 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -10.922 3.122 -17.123 1.00 0.00 H new ATOM 1726 N PHE A 115 -13.861 3.881 -13.488 1.00 0.00 N ATOM 1727 CA PHE A 115 -14.814 3.901 -12.361 1.00 0.00 C ATOM 1728 C PHE A 115 -14.475 5.006 -11.353 1.00 0.00 C ATOM 1729 O PHE A 115 -13.356 5.515 -11.336 1.00 0.00 O ATOM 1730 CB PHE A 115 -14.866 2.527 -11.665 1.00 0.00 C ATOM 1731 CG PHE A 115 -13.502 2.173 -11.102 1.00 0.00 C ATOM 1732 CD1 PHE A 115 -13.173 2.539 -9.793 1.00 0.00 C ATOM 1733 CD2 PHE A 115 -12.573 1.488 -11.893 1.00 0.00 C ATOM 1734 CE1 PHE A 115 -11.913 2.220 -9.273 1.00 0.00 C ATOM 1735 CE2 PHE A 115 -11.313 1.168 -11.373 1.00 0.00 C ATOM 1736 CZ PHE A 115 -10.983 1.534 -10.063 1.00 0.00 C ATOM 0 H PHE A 115 -12.937 4.252 -13.265 1.00 0.00 H new ATOM 0 HA PHE A 115 -15.800 4.120 -12.770 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -15.605 2.545 -10.864 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -15.184 1.763 -12.375 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -13.891 3.068 -9.183 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -12.828 1.206 -12.904 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -11.658 2.503 -8.262 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -10.596 0.639 -11.983 1.00 0.00 H new ATOM 0 HZ PHE A 115 -10.011 1.287 -9.662 1.00 0.00 H new ATOM 1746 N GLU A 116 -15.460 5.372 -10.520 1.00 0.00 N ATOM 1747 CA GLU A 116 -15.276 6.435 -9.526 1.00 0.00 C ATOM 1748 C GLU A 116 -15.322 5.894 -8.093 1.00 0.00 C ATOM 1749 O GLU A 116 -16.280 5.232 -7.690 1.00 0.00 O ATOM 1750 CB GLU A 116 -16.346 7.539 -9.735 1.00 0.00 C ATOM 1751 CG GLU A 116 -16.268 8.616 -8.620 1.00 0.00 C ATOM 1752 CD GLU A 116 -17.095 9.843 -9.006 1.00 0.00 C ATOM 1753 OE1 GLU A 116 -18.186 9.663 -9.526 1.00 0.00 O ATOM 1754 OE2 GLU A 116 -16.622 10.944 -8.779 1.00 0.00 O ATOM 0 H GLU A 116 -16.388 4.949 -10.516 1.00 0.00 H new ATOM 0 HA GLU A 116 -14.285 6.865 -9.670 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -16.202 8.008 -10.708 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -17.339 7.090 -9.741 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -16.635 8.203 -7.680 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -15.230 8.906 -8.457 1.00 0.00 H new ATOM 1761 N VAL A 117 -14.312 6.275 -7.314 1.00 0.00 N ATOM 1762 CA VAL A 117 -14.253 5.934 -5.899 1.00 0.00 C ATOM 1763 C VAL A 117 -13.996 7.195 -5.078 1.00 0.00 C ATOM 1764 O VAL A 117 -13.200 8.054 -5.472 1.00 0.00 O ATOM 1765 CB VAL A 117 -13.156 4.878 -5.636 1.00 0.00 C ATOM 1766 CG1 VAL A 117 -13.493 3.592 -6.398 1.00 0.00 C ATOM 1767 CG2 VAL A 117 -11.783 5.400 -6.103 1.00 0.00 C ATOM 0 H VAL A 117 -13.519 6.824 -7.645 1.00 0.00 H new ATOM 0 HA VAL A 117 -15.209 5.504 -5.599 1.00 0.00 H new ATOM 0 HB VAL A 117 -13.113 4.676 -4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -12.720 2.846 -6.213 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -14.455 3.209 -6.058 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -13.544 3.805 -7.466 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -11.022 4.644 -5.910 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.819 5.615 -7.171 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -11.536 6.311 -5.558 1.00 0.00 H new ATOM 1777 N THR A 118 -14.697 7.306 -3.960 1.00 0.00 N ATOM 1778 CA THR A 118 -14.589 8.467 -3.077 1.00 0.00 C ATOM 1779 C THR A 118 -14.410 8.028 -1.629 1.00 0.00 C ATOM 1780 O THR A 118 -14.769 6.904 -1.261 1.00 0.00 O ATOM 1781 CB THR A 118 -15.841 9.346 -3.208 1.00 0.00 C ATOM 1782 OG1 THR A 118 -16.096 9.596 -4.584 1.00 0.00 O ATOM 1783 CG2 THR A 118 -15.618 10.680 -2.486 1.00 0.00 C ATOM 0 H THR A 118 -15.356 6.598 -3.636 1.00 0.00 H new ATOM 0 HA THR A 118 -13.714 9.045 -3.373 1.00 0.00 H new ATOM 0 HB THR A 118 -16.691 8.831 -2.760 1.00 0.00 H new ATOM 0 HG1 THR A 118 -16.896 10.156 -4.672 1.00 0.00 H new ATOM 0 HG21 THR A 118 -16.510 11.299 -2.582 1.00 0.00 H new ATOM 0 HG22 THR A 118 -15.418 10.494 -1.431 1.00 0.00 H new ATOM 0 HG23 THR A 118 -14.768 11.197 -2.931 1.00 0.00 H new ATOM 1791 N LYS A 119 -13.846 8.923 -0.816 1.00 0.00 N ATOM 1792 CA LYS A 119 -13.605 8.642 0.601 1.00 0.00 C ATOM 1793 C LYS A 119 -14.901 8.259 1.338 1.00 0.00 C ATOM 1794 O LYS A 119 -14.851 7.616 2.392 1.00 0.00 O ATOM 1795 CB LYS A 119 -12.946 9.865 1.275 1.00 0.00 C ATOM 1796 CG LYS A 119 -13.893 11.079 1.226 1.00 0.00 C ATOM 1797 CD LYS A 119 -13.217 12.286 1.883 1.00 0.00 C ATOM 1798 CE LYS A 119 -14.160 13.491 1.824 1.00 0.00 C ATOM 1799 NZ LYS A 119 -13.508 14.668 2.469 1.00 0.00 N ATOM 0 H LYS A 119 -13.547 9.851 -1.115 1.00 0.00 H new ATOM 0 HA LYS A 119 -12.931 7.787 0.662 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.700 9.629 2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -12.010 10.105 0.771 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.149 11.311 0.192 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -14.825 10.847 1.741 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -12.966 12.057 2.919 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -12.282 12.516 1.372 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -14.407 13.722 0.788 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -15.096 13.258 2.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -14.149 15.486 2.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -13.294 14.445 3.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -12.626 14.895 1.967 1.00 0.00 H new ATOM 1813 N THR A 120 -16.050 8.677 0.786 1.00 0.00 N ATOM 1814 CA THR A 120 -17.346 8.395 1.406 1.00 0.00 C ATOM 1815 C THR A 120 -18.454 8.161 0.357 1.00 0.00 C ATOM 1816 O THR A 120 -19.643 8.298 0.666 1.00 0.00 O ATOM 1817 CB THR A 120 -17.730 9.550 2.352 1.00 0.00 C ATOM 1818 OG1 THR A 120 -18.952 9.245 3.007 1.00 0.00 O ATOM 1819 CG2 THR A 120 -17.881 10.864 1.565 1.00 0.00 C ATOM 0 H THR A 120 -16.105 9.208 -0.083 1.00 0.00 H new ATOM 0 HA THR A 120 -17.251 7.472 1.978 1.00 0.00 H new ATOM 0 HB THR A 120 -16.939 9.673 3.092 1.00 0.00 H new ATOM 0 HG1 THR A 120 -19.582 8.862 2.362 1.00 0.00 H new ATOM 0 HG21 THR A 120 -18.152 11.668 2.249 1.00 0.00 H new ATOM 0 HG22 THR A 120 -16.937 11.106 1.076 1.00 0.00 H new ATOM 0 HG23 THR A 120 -18.661 10.750 0.812 1.00 0.00 H new ATOM 1827 N ALA A 121 -18.053 7.808 -0.879 1.00 0.00 N ATOM 1828 CA ALA A 121 -19.013 7.561 -1.958 1.00 0.00 C ATOM 1829 C ALA A 121 -18.439 6.613 -3.003 1.00 0.00 C ATOM 1830 O ALA A 121 -17.225 6.531 -3.182 1.00 0.00 O ATOM 1831 CB ALA A 121 -19.429 8.883 -2.613 1.00 0.00 C ATOM 0 H ALA A 121 -17.076 7.689 -1.149 1.00 0.00 H new ATOM 0 HA ALA A 121 -19.893 7.088 -1.522 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -20.142 8.684 -3.413 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -19.891 9.529 -1.867 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -18.549 9.377 -3.026 1.00 0.00 H new ATOM 1837 N VAL A 122 -19.333 5.892 -3.672 1.00 0.00 N ATOM 1838 CA VAL A 122 -18.951 4.927 -4.702 1.00 0.00 C ATOM 1839 C VAL A 122 -19.767 5.182 -5.969 1.00 0.00 C ATOM 1840 O VAL A 122 -20.996 5.303 -5.904 1.00 0.00 O ATOM 1841 CB VAL A 122 -19.191 3.483 -4.192 1.00 0.00 C ATOM 1842 CG1 VAL A 122 -18.770 2.462 -5.254 1.00 0.00 C ATOM 1843 CG2 VAL A 122 -18.375 3.241 -2.924 1.00 0.00 C ATOM 0 H VAL A 122 -20.339 5.958 -3.518 1.00 0.00 H new ATOM 0 HA VAL A 122 -17.892 5.044 -4.930 1.00 0.00 H new ATOM 0 HB VAL A 122 -20.254 3.365 -3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -18.945 1.454 -4.879 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -19.354 2.619 -6.161 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -17.711 2.586 -5.479 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -18.547 2.225 -2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -17.315 3.375 -3.142 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -18.679 3.950 -2.154 1.00 0.00 H new ATOM 1853 N ALA A 123 -19.081 5.257 -7.113 1.00 0.00 N ATOM 1854 CA ALA A 123 -19.752 5.489 -8.383 1.00 0.00 C ATOM 1855 C ALA A 123 -19.035 4.770 -9.516 1.00 0.00 C ATOM 1856 O ALA A 123 -17.884 4.356 -9.368 1.00 0.00 O ATOM 1857 CB ALA A 123 -19.832 6.988 -8.678 1.00 0.00 C ATOM 0 H ALA A 123 -18.068 5.160 -7.180 1.00 0.00 H new ATOM 0 HA ALA A 123 -20.763 5.089 -8.309 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -20.337 7.145 -9.631 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -20.391 7.485 -7.885 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -18.825 7.403 -8.728 1.00 0.00 H new ATOM 1863 N HIS A 124 -19.727 4.621 -10.648 1.00 0.00 N ATOM 1864 CA HIS A 124 -19.155 3.953 -11.814 1.00 0.00 C ATOM 1865 C HIS A 124 -19.163 4.878 -13.025 1.00 0.00 C ATOM 1866 O HIS A 124 -20.013 5.768 -13.139 1.00 0.00 O ATOM 1867 CB HIS A 124 -19.917 2.642 -12.125 1.00 0.00 C ATOM 1868 CG HIS A 124 -21.369 2.931 -12.446 1.00 0.00 C ATOM 1869 ND1 HIS A 124 -22.312 3.167 -11.460 1.00 0.00 N ATOM 1870 CD2 HIS A 124 -22.042 3.025 -13.641 1.00 0.00 C ATOM 1871 CE1 HIS A 124 -23.491 3.389 -12.072 1.00 0.00 C ATOM 1872 NE2 HIS A 124 -23.381 3.314 -13.401 1.00 0.00 N ATOM 0 H HIS A 124 -20.682 4.954 -10.780 1.00 0.00 H new ATOM 0 HA HIS A 124 -18.120 3.700 -11.584 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -19.447 2.133 -12.967 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -19.855 1.968 -11.271 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -21.599 2.894 -14.617 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -24.413 3.602 -11.552 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -24.121 3.441 -14.092 1.00 0.00 H new ATOM 1880 N ARG A 125 -18.210 4.656 -13.913 1.00 0.00 N ATOM 1881 CA ARG A 125 -18.068 5.449 -15.124 1.00 0.00 C ATOM 1882 C ARG A 125 -18.353 4.572 -16.356 1.00 0.00 C ATOM 1883 O ARG A 125 -18.232 3.346 -16.266 1.00 0.00 O ATOM 1884 CB ARG A 125 -16.645 5.998 -15.217 1.00 0.00 C ATOM 1885 CG ARG A 125 -16.346 6.937 -14.037 1.00 0.00 C ATOM 1886 CD ARG A 125 -17.024 8.292 -14.259 1.00 0.00 C ATOM 1887 NE ARG A 125 -16.606 9.247 -13.211 1.00 0.00 N ATOM 1888 CZ ARG A 125 -16.963 10.559 -13.213 1.00 0.00 C ATOM 1889 NH1 ARG A 125 -17.708 11.067 -14.176 1.00 0.00 N ATOM 1890 NH2 ARG A 125 -16.561 11.333 -12.241 1.00 0.00 N ATOM 0 H ARG A 125 -17.511 3.920 -13.816 1.00 0.00 H new ATOM 0 HA ARG A 125 -18.777 6.276 -15.092 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -15.932 5.174 -15.222 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -16.518 6.535 -16.157 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -16.702 6.491 -13.108 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -15.269 7.073 -13.934 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -16.762 8.682 -15.243 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -18.107 8.172 -14.242 1.00 0.00 H new ATOM 0 HE ARG A 125 -16.021 8.905 -12.449 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -18.029 10.472 -14.940 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -17.963 12.054 -14.156 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -15.985 10.952 -11.490 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -16.823 12.319 -12.232 1.00 0.00 H new ATOM 1904 N PRO A 126 -18.712 5.158 -17.519 1.00 0.00 N ATOM 1905 CA PRO A 126 -18.975 4.355 -18.753 1.00 0.00 C ATOM 1906 C PRO A 126 -17.695 3.700 -19.253 1.00 0.00 C ATOM 1907 O PRO A 126 -16.598 4.234 -19.055 1.00 0.00 O ATOM 1908 CB PRO A 126 -19.496 5.386 -19.761 1.00 0.00 C ATOM 1909 CG PRO A 126 -18.936 6.689 -19.301 1.00 0.00 C ATOM 1910 CD PRO A 126 -18.901 6.615 -17.779 1.00 0.00 C ATOM 0 HA PRO A 126 -19.681 3.542 -18.585 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -19.167 5.150 -20.773 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -20.586 5.408 -19.777 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -17.937 6.850 -19.707 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -19.555 7.521 -19.637 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -18.086 7.208 -17.365 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -19.824 6.988 -17.335 1.00 0.00 H new ATOM 1918 N GLY A 127 -17.836 2.524 -19.867 1.00 0.00 N ATOM 1919 CA GLY A 127 -16.680 1.770 -20.361 1.00 0.00 C ATOM 1920 C GLY A 127 -16.036 0.903 -19.256 1.00 0.00 C ATOM 1921 O GLY A 127 -14.955 0.341 -19.460 1.00 0.00 O ATOM 0 H GLY A 127 -18.736 2.073 -20.034 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -16.991 1.131 -21.187 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -15.937 2.463 -20.756 1.00 0.00 H new ATOM 1925 N ALA A 128 -16.713 0.792 -18.093 1.00 0.00 N ATOM 1926 CA ALA A 128 -16.209 -0.009 -16.978 1.00 0.00 C ATOM 1927 C ALA A 128 -16.004 -1.454 -17.413 1.00 0.00 C ATOM 1928 O ALA A 128 -16.718 -1.956 -18.286 1.00 0.00 O ATOM 1929 CB ALA A 128 -17.184 0.049 -15.801 1.00 0.00 C ATOM 0 H ALA A 128 -17.607 1.249 -17.911 1.00 0.00 H new ATOM 0 HA ALA A 128 -15.250 0.402 -16.663 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -16.797 -0.551 -14.978 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -17.298 1.082 -15.474 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -18.153 -0.343 -16.111 1.00 0.00 H new ATOM 1935 N PHE A 129 -15.001 -2.106 -16.819 1.00 0.00 N ATOM 1936 CA PHE A 129 -14.662 -3.491 -17.168 1.00 0.00 C ATOM 1937 C PHE A 129 -15.638 -4.495 -16.574 1.00 0.00 C ATOM 1938 O PHE A 129 -16.149 -4.314 -15.467 1.00 0.00 O ATOM 1939 CB PHE A 129 -13.226 -3.840 -16.736 1.00 0.00 C ATOM 1940 CG PHE A 129 -12.226 -3.246 -17.713 1.00 0.00 C ATOM 1941 CD1 PHE A 129 -11.400 -2.184 -17.327 1.00 0.00 C ATOM 1942 CD2 PHE A 129 -12.130 -3.771 -19.008 1.00 0.00 C ATOM 1943 CE1 PHE A 129 -10.479 -1.652 -18.238 1.00 0.00 C ATOM 1944 CE2 PHE A 129 -11.212 -3.236 -19.915 1.00 0.00 C ATOM 1945 CZ PHE A 129 -10.386 -2.178 -19.531 1.00 0.00 C ATOM 0 H PHE A 129 -14.409 -1.699 -16.095 1.00 0.00 H new ATOM 0 HA PHE A 129 -14.734 -3.559 -18.254 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -13.037 -3.457 -15.733 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -13.104 -4.922 -16.693 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -11.473 -1.776 -16.330 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -12.767 -4.591 -19.306 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -9.839 -0.834 -17.942 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -11.141 -3.641 -20.914 1.00 0.00 H new ATOM 0 HZ PHE A 129 -9.675 -1.766 -20.232 1.00 0.00 H new ATOM 1955 N LYS A 130 -15.849 -5.582 -17.317 1.00 0.00 N ATOM 1956 CA LYS A 130 -16.723 -6.686 -16.879 1.00 0.00 C ATOM 1957 C LYS A 130 -16.238 -8.043 -17.430 1.00 0.00 C ATOM 1958 O LYS A 130 -17.005 -9.009 -17.491 1.00 0.00 O ATOM 1959 CB LYS A 130 -18.204 -6.460 -17.276 1.00 0.00 C ATOM 1960 CG LYS A 130 -18.323 -5.976 -18.740 1.00 0.00 C ATOM 1961 CD LYS A 130 -19.800 -5.769 -19.109 1.00 0.00 C ATOM 1962 CE LYS A 130 -20.485 -7.129 -19.306 1.00 0.00 C ATOM 1963 NZ LYS A 130 -21.896 -6.917 -19.740 1.00 0.00 N ATOM 0 H LYS A 130 -15.425 -5.728 -18.233 1.00 0.00 H new ATOM 0 HA LYS A 130 -16.665 -6.704 -15.791 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -18.763 -7.388 -17.150 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -18.654 -5.724 -16.609 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -17.774 -5.043 -18.869 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -17.871 -6.707 -19.411 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -20.305 -5.208 -18.323 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -19.876 -5.178 -20.022 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -19.948 -7.714 -20.052 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -20.461 -7.698 -18.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -22.360 -7.838 -19.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -22.405 -6.375 -19.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -21.908 -6.390 -20.637 1.00 0.00 H new ATOM 1977 N ALA A 131 -14.954 -8.104 -17.802 1.00 0.00 N ATOM 1978 CA ALA A 131 -14.337 -9.328 -18.323 1.00 0.00 C ATOM 1979 C ALA A 131 -12.797 -9.246 -18.229 1.00 0.00 C ATOM 1980 O ALA A 131 -12.080 -9.898 -18.997 1.00 0.00 O ATOM 1981 CB ALA A 131 -14.762 -9.550 -19.777 1.00 0.00 C ATOM 0 H ALA A 131 -14.316 -7.310 -17.750 1.00 0.00 H new ATOM 0 HA ALA A 131 -14.675 -10.170 -17.718 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -14.299 -10.461 -20.156 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -15.847 -9.645 -19.829 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -14.443 -8.702 -20.383 1.00 0.00 H new ATOM 1987 N GLU A 132 -12.306 -8.415 -17.294 1.00 0.00 N ATOM 1988 CA GLU A 132 -10.872 -8.205 -17.108 1.00 0.00 C ATOM 1989 C GLU A 132 -10.507 -8.232 -15.614 1.00 0.00 C ATOM 1990 O GLU A 132 -11.245 -7.709 -14.774 1.00 0.00 O ATOM 1991 CB GLU A 132 -10.461 -6.862 -17.743 1.00 0.00 C ATOM 1992 CG GLU A 132 -8.932 -6.674 -17.646 1.00 0.00 C ATOM 1993 CD GLU A 132 -8.497 -5.370 -18.326 1.00 0.00 C ATOM 1994 OE1 GLU A 132 -9.090 -5.014 -19.336 1.00 0.00 O ATOM 1995 OE2 GLU A 132 -7.576 -4.746 -17.826 1.00 0.00 O ATOM 0 H GLU A 132 -12.891 -7.877 -16.654 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.329 -9.012 -17.599 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -10.773 -6.834 -18.787 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -10.969 -6.041 -17.237 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.629 -6.662 -16.599 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.427 -7.519 -18.114 1.00 0.00 H new ATOM 2002 N LEU A 133 -9.362 -8.856 -15.303 1.00 0.00 N ATOM 2003 CA LEU A 133 -8.886 -8.973 -13.920 1.00 0.00 C ATOM 2004 C LEU A 133 -7.655 -8.094 -13.703 1.00 0.00 C ATOM 2005 O LEU A 133 -6.908 -7.822 -14.649 1.00 0.00 O ATOM 2006 CB LEU A 133 -8.539 -10.453 -13.560 1.00 0.00 C ATOM 2007 CG LEU A 133 -9.661 -11.483 -13.966 1.00 0.00 C ATOM 2008 CD1 LEU A 133 -11.071 -11.021 -13.535 1.00 0.00 C ATOM 2009 CD2 LEU A 133 -9.632 -11.755 -15.485 1.00 0.00 C ATOM 0 H LEU A 133 -8.748 -9.288 -15.993 1.00 0.00 H new ATOM 0 HA LEU A 133 -9.692 -8.638 -13.267 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -7.608 -10.729 -14.055 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -8.363 -10.525 -12.487 1.00 0.00 H new ATOM 0 HG LEU A 133 -9.444 -12.408 -13.432 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -11.807 -11.766 -13.839 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -11.100 -10.903 -12.452 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -11.303 -10.068 -14.010 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -10.415 -12.469 -15.742 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -9.799 -10.823 -16.025 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -8.661 -12.166 -15.763 1.00 0.00 H new ATOM 2021 N SER A 134 -7.464 -7.626 -12.456 1.00 0.00 N ATOM 2022 CA SER A 134 -6.336 -6.746 -12.135 1.00 0.00 C ATOM 2023 C SER A 134 -6.149 -6.604 -10.625 1.00 0.00 C ATOM 2024 O SER A 134 -6.961 -7.100 -9.839 1.00 0.00 O ATOM 2025 CB SER A 134 -6.573 -5.369 -12.755 1.00 0.00 C ATOM 2026 OG SER A 134 -5.469 -4.526 -12.473 1.00 0.00 O ATOM 0 H SER A 134 -8.071 -7.842 -11.665 1.00 0.00 H new ATOM 0 HA SER A 134 -5.430 -7.191 -12.546 1.00 0.00 H new ATOM 0 HB2 SER A 134 -6.707 -5.462 -13.833 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.489 -4.932 -12.357 1.00 0.00 H new ATOM 0 HG SER A 134 -5.436 -3.799 -13.129 1.00 0.00 H new ATOM 2032 N LYS A 135 -5.091 -5.873 -10.230 1.00 0.00 N ATOM 2033 CA LYS A 135 -4.821 -5.602 -8.810 1.00 0.00 C ATOM 2034 C LYS A 135 -4.928 -4.112 -8.537 1.00 0.00 C ATOM 2035 O LYS A 135 -4.735 -3.293 -9.439 1.00 0.00 O ATOM 2036 CB LYS A 135 -3.431 -6.122 -8.370 1.00 0.00 C ATOM 2037 CG LYS A 135 -2.298 -5.621 -9.315 1.00 0.00 C ATOM 2038 CD LYS A 135 -1.658 -4.304 -8.757 1.00 0.00 C ATOM 2039 CE LYS A 135 -0.116 -4.383 -8.814 1.00 0.00 C ATOM 2040 NZ LYS A 135 0.474 -3.140 -8.235 1.00 0.00 N ATOM 0 H LYS A 135 -4.413 -5.462 -10.872 1.00 0.00 H new ATOM 0 HA LYS A 135 -5.570 -6.138 -8.227 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -3.226 -5.793 -7.351 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -3.438 -7.212 -8.358 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -1.532 -6.391 -9.414 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -2.701 -5.442 -10.312 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -2.006 -3.450 -9.338 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -1.982 -4.143 -7.729 1.00 0.00 H new ATOM 0 HE2 LYS A 135 0.234 -5.255 -8.261 1.00 0.00 H new ATOM 0 HE3 LYS A 135 0.213 -4.507 -9.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 1.491 -3.282 -8.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 0.337 -2.350 -8.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 0.005 -2.921 -7.333 1.00 0.00 H new ATOM 2054 N LEU A 136 -5.298 -3.771 -7.301 1.00 0.00 N ATOM 2055 CA LEU A 136 -5.519 -2.368 -6.915 1.00 0.00 C ATOM 2056 C LEU A 136 -4.514 -1.890 -5.871 1.00 0.00 C ATOM 2057 O LEU A 136 -4.128 -2.641 -4.971 1.00 0.00 O ATOM 2058 CB LEU A 136 -6.942 -2.204 -6.367 1.00 0.00 C ATOM 2059 CG LEU A 136 -7.973 -2.373 -7.496 1.00 0.00 C ATOM 2060 CD1 LEU A 136 -9.363 -2.602 -6.885 1.00 0.00 C ATOM 2061 CD2 LEU A 136 -8.013 -1.097 -8.365 1.00 0.00 C ATOM 0 H LEU A 136 -5.452 -4.442 -6.549 1.00 0.00 H new ATOM 0 HA LEU A 136 -5.383 -1.757 -7.808 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.125 -2.941 -5.585 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.052 -1.221 -5.910 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.690 -3.226 -8.113 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -10.096 -2.722 -7.683 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -9.346 -3.501 -6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -9.635 -1.745 -6.268 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -8.745 -1.223 -9.163 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -8.293 -0.244 -7.747 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -7.029 -0.922 -8.800 1.00 0.00 H new ATOM 2073 N VAL A 137 -4.146 -0.608 -5.973 1.00 0.00 N ATOM 2074 CA VAL A 137 -3.242 0.028 -5.020 1.00 0.00 C ATOM 2075 C VAL A 137 -3.770 1.429 -4.676 1.00 0.00 C ATOM 2076 O VAL A 137 -4.055 2.230 -5.571 1.00 0.00 O ATOM 2077 CB VAL A 137 -1.804 0.089 -5.604 1.00 0.00 C ATOM 2078 CG1 VAL A 137 -1.769 0.945 -6.879 1.00 0.00 C ATOM 2079 CG2 VAL A 137 -0.838 0.672 -4.562 1.00 0.00 C ATOM 0 H VAL A 137 -4.467 0.012 -6.717 1.00 0.00 H new ATOM 0 HA VAL A 137 -3.199 -0.559 -4.103 1.00 0.00 H new ATOM 0 HB VAL A 137 -1.494 -0.925 -5.857 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.752 0.973 -7.270 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -2.433 0.512 -7.627 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -2.097 1.958 -6.646 1.00 0.00 H new ATOM 0 HG21 VAL A 137 0.168 0.711 -4.980 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.158 1.678 -4.292 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -0.837 0.041 -3.673 1.00 0.00 H new ATOM 2089 N ILE A 138 -3.967 1.683 -3.378 1.00 0.00 N ATOM 2090 CA ILE A 138 -4.539 2.957 -2.917 1.00 0.00 C ATOM 2091 C ILE A 138 -3.645 3.621 -1.866 1.00 0.00 C ATOM 2092 O ILE A 138 -3.328 3.017 -0.837 1.00 0.00 O ATOM 2093 CB ILE A 138 -5.964 2.727 -2.325 1.00 0.00 C ATOM 2094 CG1 ILE A 138 -6.875 2.000 -3.358 1.00 0.00 C ATOM 2095 CG2 ILE A 138 -6.603 4.083 -1.955 1.00 0.00 C ATOM 2096 CD1 ILE A 138 -6.667 0.477 -3.284 1.00 0.00 C ATOM 0 H ILE A 138 -3.741 1.028 -2.629 1.00 0.00 H new ATOM 0 HA ILE A 138 -4.607 3.621 -3.779 1.00 0.00 H new ATOM 0 HB ILE A 138 -5.869 2.107 -1.434 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -7.920 2.240 -3.162 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -6.650 2.355 -4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -7.598 3.916 -1.542 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -5.983 4.587 -1.214 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -6.680 4.704 -2.847 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -7.312 -0.014 -4.013 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -5.626 0.241 -3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -6.916 0.124 -2.283 1.00 0.00 H new ATOM 2108 N VAL A 139 -3.322 4.898 -2.098 1.00 0.00 N ATOM 2109 CA VAL A 139 -2.556 5.693 -1.133 1.00 0.00 C ATOM 2110 C VAL A 139 -3.434 6.855 -0.660 1.00 0.00 C ATOM 2111 O VAL A 139 -3.899 7.660 -1.475 1.00 0.00 O ATOM 2112 CB VAL A 139 -1.251 6.224 -1.785 1.00 0.00 C ATOM 2113 CG1 VAL A 139 -0.445 7.054 -0.771 1.00 0.00 C ATOM 2114 CG2 VAL A 139 -0.391 5.044 -2.258 1.00 0.00 C ATOM 0 H VAL A 139 -3.579 5.403 -2.946 1.00 0.00 H new ATOM 0 HA VAL A 139 -2.273 5.074 -0.281 1.00 0.00 H new ATOM 0 HB VAL A 139 -1.519 6.853 -2.634 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.467 7.419 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -1.044 7.901 -0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.186 6.431 0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 139 0.524 5.421 -2.715 1.00 0.00 H new ATOM 0 HG22 VAL A 139 -0.138 4.414 -1.406 1.00 0.00 H new ATOM 0 HG23 VAL A 139 -0.948 4.458 -2.990 1.00 0.00 H new ATOM 2124 N ALA A 140 -3.693 6.908 0.653 1.00 0.00 N ATOM 2125 CA ALA A 140 -4.563 7.940 1.223 1.00 0.00 C ATOM 2126 C ALA A 140 -3.913 8.623 2.411 1.00 0.00 C ATOM 2127 O ALA A 140 -3.188 7.995 3.181 1.00 0.00 O ATOM 2128 CB ALA A 140 -5.898 7.327 1.648 1.00 0.00 C ATOM 0 H ALA A 140 -3.314 6.252 1.336 1.00 0.00 H new ATOM 0 HA ALA A 140 -4.734 8.691 0.452 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -6.537 8.103 2.070 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -6.388 6.886 0.780 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -5.722 6.555 2.397 1.00 0.00 H new ATOM 2134 N LYS A 141 -4.187 9.920 2.547 1.00 0.00 N ATOM 2135 CA LYS A 141 -3.646 10.720 3.630 1.00 0.00 C ATOM 2136 C LYS A 141 -4.659 10.836 4.760 1.00 0.00 C ATOM 2137 O LYS A 141 -5.858 11.011 4.513 1.00 0.00 O ATOM 2138 CB LYS A 141 -3.298 12.111 3.122 1.00 0.00 C ATOM 2139 CG LYS A 141 -2.418 12.825 4.156 1.00 0.00 C ATOM 2140 CD LYS A 141 -2.008 14.215 3.637 1.00 0.00 C ATOM 2141 CE LYS A 141 -3.205 15.175 3.701 1.00 0.00 C ATOM 2142 NZ LYS A 141 -2.778 16.532 3.254 1.00 0.00 N ATOM 0 H LYS A 141 -4.789 10.439 1.908 1.00 0.00 H new ATOM 0 HA LYS A 141 -2.747 10.232 4.005 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -2.775 12.042 2.168 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -4.208 12.684 2.945 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -2.959 12.925 5.097 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -1.529 12.229 4.361 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -1.185 14.607 4.235 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -1.648 14.137 2.611 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -4.013 14.809 3.067 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -3.594 15.221 4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -3.588 17.183 3.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -2.021 16.880 3.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -2.427 16.481 2.276 1.00 0.00 H new ATOM 2156 N ALA A 142 -4.172 10.734 5.996 1.00 0.00 N ATOM 2157 CA ALA A 142 -5.032 10.825 7.172 1.00 0.00 C ATOM 2158 C ALA A 142 -5.738 12.176 7.226 1.00 0.00 C ATOM 2159 O ALA A 142 -5.122 13.218 6.974 1.00 0.00 O ATOM 2160 CB ALA A 142 -4.200 10.626 8.441 1.00 0.00 C ATOM 0 H ALA A 142 -3.185 10.588 6.208 1.00 0.00 H new ATOM 0 HA ALA A 142 -5.788 10.043 7.105 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -4.847 10.695 9.315 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -3.728 9.644 8.416 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -3.432 11.397 8.497 1.00 0.00 H new