USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=36 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 81 GLN : amide:sc= -0.996 K(o=-1.2,f=-3.3!) USER MOD Set 1.2: A 83 LYS NZ :NH3+ 145:sc= -0.189 (180deg=-2.43) USER MOD Set 1.3: A 124 HIS : no HD1:sc= 0.0202 K(o=-1.2,f=-3.3) USER MOD Set 2.1: A 58 SER OG : rot 120:sc=-0.00252 USER MOD Set 2.2: A 62 GLN : amide:sc= 0.00294 X(o=0.00042,f=-0.0084) USER MOD Set 3.1: A 36 THR OG1 : rot 120:sc= -0.824 USER MOD Set 3.2: A 38 MET CE :methyl 173:sc= -0.812 (180deg=-0.927) USER MOD Set 4.1: A 24 SER OG : rot 180:sc= 0.471 USER MOD Set 4.2: A 40 THR OG1 : rot -80:sc= 0.518 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= -0.593 X(o=-0.59,f=-0.96) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -8.4! C(o=-8.4!,f=-8.6!) USER MOD Single : A 28 ASN : amide:sc= -1.33 K(o=-1.3,f=-2.6) USER MOD Single : A 34 LYS NZ :NH3+ -161:sc= -0.0464 (180deg=-0.435) USER MOD Single : A 35 TYR OH : rot 30:sc= -1.44! USER MOD Single : A 41 TYR OH : rot 141:sc= -0.228 USER MOD Single : A 43 SER OG : rot -124:sc= 1.53 USER MOD Single : A 44 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.28) USER MOD Single : A 47 THR OG1 : rot 180:sc=-0.00854 USER MOD Single : A 48 ASN : amide:sc= -1.05 K(o=-1,f=-4.1!) USER MOD Single : A 50 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 52 GLN : amide:sc= -2.09 K(o=-2.1,f=-3!) USER MOD Single : A 53 MET CE :methyl -125:sc= -4.35 (180deg=-13.7!) 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 HD1:sc= -0.225 X(o=-0.22,f=0) USER MOD Single : A 63 HIS : no HE2:sc= -0.247 K(o=-0.25,f=-1.9!) USER MOD Single : A 65 THR OG1 : rot -35:sc= 0.859 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0263 K(o=-0.026,f=-1.2!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot -20:sc= -1.21 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 165:sc= -2.24 (180deg=-3.24!) USER MOD Single : A 97 TYR OH : rot -67:sc= 1.28 USER MOD Single : A 98 SER OG : rot -146:sc= -0.763 USER MOD Single : A 99 LYS NZ :NH3+ 169:sc=-0.00328 (180deg=-0.143) 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 -30:sc= 1.18 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 134 SER OG : rot 159:sc= -2.55 USER MOD Single : A 135 LYS NZ :NH3+ -136:sc= 0.0185 (180deg=-0.94) USER MOD Single : A 141 LYS NZ :NH3+ 150:sc= 0.101 (180deg=-0.47) USER MOD ----------------------------------------------------------------- ATOM 106 N PRO A 9 4.107 -3.479 8.132 1.00 0.00 N ATOM 107 CA PRO A 9 3.293 -4.049 7.011 1.00 0.00 C ATOM 108 C PRO A 9 2.613 -5.353 7.423 1.00 0.00 C ATOM 109 O PRO A 9 3.120 -6.074 8.289 1.00 0.00 O ATOM 110 CB PRO A 9 4.327 -4.298 5.914 1.00 0.00 C ATOM 111 CG PRO A 9 5.591 -4.584 6.648 1.00 0.00 C ATOM 112 CD PRO A 9 5.567 -3.698 7.891 1.00 0.00 C ATOM 0 HA PRO A 9 2.486 -3.386 6.698 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.038 -5.136 5.280 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.433 -3.429 5.265 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.654 -5.637 6.921 1.00 0.00 H new ATOM 0 HG3 PRO A 9 6.460 -4.363 6.028 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.046 -4.185 8.741 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.092 -2.758 7.724 1.00 0.00 H new ATOM 120 N THR A 10 1.468 -5.650 6.798 1.00 0.00 N ATOM 121 CA THR A 10 0.724 -6.871 7.100 1.00 0.00 C ATOM 122 C THR A 10 0.297 -7.581 5.816 1.00 0.00 C ATOM 123 O THR A 10 0.044 -6.932 4.798 1.00 0.00 O ATOM 124 CB THR A 10 -0.507 -6.537 7.977 1.00 0.00 C ATOM 125 OG1 THR A 10 -1.097 -7.740 8.443 1.00 0.00 O ATOM 126 CG2 THR A 10 -1.562 -5.721 7.193 1.00 0.00 C ATOM 0 H THR A 10 1.040 -5.062 6.083 1.00 0.00 H new ATOM 0 HA THR A 10 1.376 -7.547 7.654 1.00 0.00 H new ATOM 0 HB THR A 10 -0.166 -5.932 8.817 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.875 -7.528 9.000 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.411 -5.506 7.842 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.119 -4.785 6.853 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.900 -6.297 6.331 1.00 0.00 H new ATOM 134 N THR A 11 0.192 -8.907 5.887 1.00 0.00 N ATOM 135 CA THR A 11 -0.235 -9.715 4.744 1.00 0.00 C ATOM 136 C THR A 11 -1.544 -10.436 5.078 1.00 0.00 C ATOM 137 O THR A 11 -1.610 -11.200 6.046 1.00 0.00 O ATOM 138 CB THR A 11 0.871 -10.736 4.387 1.00 0.00 C ATOM 139 OG1 THR A 11 2.076 -10.035 4.107 1.00 0.00 O ATOM 140 CG2 THR A 11 0.470 -11.552 3.147 1.00 0.00 C ATOM 0 H THR A 11 0.398 -9.447 6.727 1.00 0.00 H new ATOM 0 HA THR A 11 -0.405 -9.067 3.884 1.00 0.00 H new ATOM 0 HB THR A 11 1.011 -11.414 5.229 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.782 -10.676 3.881 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.259 -12.265 2.910 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.456 -12.090 3.349 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.322 -10.880 2.301 1.00 0.00 H new ATOM 148 N VAL A 12 -2.583 -10.181 4.268 1.00 0.00 N ATOM 149 CA VAL A 12 -3.896 -10.803 4.480 1.00 0.00 C ATOM 150 C VAL A 12 -4.429 -11.400 3.172 1.00 0.00 C ATOM 151 O VAL A 12 -4.423 -10.741 2.130 1.00 0.00 O ATOM 152 CB VAL A 12 -4.897 -9.774 5.076 1.00 0.00 C ATOM 153 CG1 VAL A 12 -6.274 -10.431 5.305 1.00 0.00 C ATOM 154 CG2 VAL A 12 -4.358 -9.255 6.423 1.00 0.00 C ATOM 0 H VAL A 12 -2.539 -9.553 3.466 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.782 -11.616 5.197 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.008 -8.948 4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.963 -9.697 5.723 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.665 -10.796 4.356 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.168 -11.265 5.999 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.059 -8.533 6.842 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.241 -10.090 7.114 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.392 -8.774 6.268 1.00 0.00 H new ATOM 164 N ALA A 13 -4.890 -12.651 3.247 1.00 0.00 N ATOM 165 CA ALA A 13 -5.435 -13.351 2.082 1.00 0.00 C ATOM 166 C ALA A 13 -6.943 -13.545 2.224 1.00 0.00 C ATOM 167 O ALA A 13 -7.455 -13.673 3.342 1.00 0.00 O ATOM 168 CB ALA A 13 -4.754 -14.709 1.923 1.00 0.00 C ATOM 0 H ALA A 13 -4.896 -13.201 4.106 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.244 -12.744 1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.165 -15.223 1.054 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.682 -14.565 1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.928 -15.310 2.816 1.00 0.00 H new ATOM 174 N PHE A 14 -7.649 -13.569 1.084 1.00 0.00 N ATOM 175 CA PHE A 14 -9.102 -13.750 1.081 1.00 0.00 C ATOM 176 C PHE A 14 -9.554 -14.526 -0.165 1.00 0.00 C ATOM 177 O PHE A 14 -8.811 -14.615 -1.149 1.00 0.00 O ATOM 178 CB PHE A 14 -9.816 -12.378 1.180 1.00 0.00 C ATOM 179 CG PHE A 14 -9.572 -11.545 -0.072 1.00 0.00 C ATOM 180 CD1 PHE A 14 -10.513 -11.555 -1.109 1.00 0.00 C ATOM 181 CD2 PHE A 14 -8.412 -10.773 -0.190 1.00 0.00 C ATOM 182 CE1 PHE A 14 -10.293 -10.793 -2.261 1.00 0.00 C ATOM 183 CE2 PHE A 14 -8.195 -10.010 -1.346 1.00 0.00 C ATOM 184 CZ PHE A 14 -9.136 -10.021 -2.379 1.00 0.00 C ATOM 0 H PHE A 14 -7.236 -13.465 0.157 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.380 -14.340 1.954 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.887 -12.530 1.317 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.456 -11.839 2.056 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.409 -12.151 -1.019 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.684 -10.765 0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -11.019 -10.802 -3.060 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.300 -9.413 -1.438 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.968 -9.432 -3.269 1.00 0.00 H new ATOM 194 N ASP A 15 -10.762 -15.101 -0.101 1.00 0.00 N ATOM 195 CA ASP A 15 -11.296 -15.890 -1.211 1.00 0.00 C ATOM 196 C ASP A 15 -12.356 -15.117 -1.985 1.00 0.00 C ATOM 197 O ASP A 15 -13.356 -14.674 -1.412 1.00 0.00 O ATOM 198 CB ASP A 15 -11.903 -17.195 -0.689 1.00 0.00 C ATOM 199 CG ASP A 15 -10.848 -18.001 0.063 1.00 0.00 C ATOM 200 OD1 ASP A 15 -9.753 -18.139 -0.458 1.00 0.00 O ATOM 201 OD2 ASP A 15 -11.151 -18.470 1.148 1.00 0.00 O ATOM 0 H ASP A 15 -11.383 -15.033 0.705 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.468 -16.111 -1.884 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.743 -16.976 -0.030 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.295 -17.781 -1.520 1.00 0.00 H new ATOM 206 N VAL A 16 -12.162 -15.032 -3.304 1.00 0.00 N ATOM 207 CA VAL A 16 -13.134 -14.395 -4.188 1.00 0.00 C ATOM 208 C VAL A 16 -14.048 -15.474 -4.753 1.00 0.00 C ATOM 209 O VAL A 16 -13.607 -16.341 -5.514 1.00 0.00 O ATOM 210 CB VAL A 16 -12.405 -13.636 -5.331 1.00 0.00 C ATOM 211 CG1 VAL A 16 -13.426 -12.989 -6.289 1.00 0.00 C ATOM 212 CG2 VAL A 16 -11.518 -12.538 -4.728 1.00 0.00 C ATOM 0 H VAL A 16 -11.338 -15.398 -3.781 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.726 -13.668 -3.633 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.796 -14.347 -5.889 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.897 -12.462 -7.083 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.057 -13.763 -6.725 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.047 -12.284 -5.737 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.005 -12.004 -5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.136 -11.840 -4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.782 -12.989 -4.063 1.00 0.00 H new ATOM 222 N ARG A 17 -15.313 -15.436 -4.339 1.00 0.00 N ATOM 223 CA ARG A 17 -16.297 -16.432 -4.757 1.00 0.00 C ATOM 224 C ARG A 17 -17.422 -15.773 -5.600 1.00 0.00 C ATOM 225 O ARG A 17 -18.101 -14.870 -5.105 1.00 0.00 O ATOM 226 CB ARG A 17 -16.886 -17.130 -3.518 1.00 0.00 C ATOM 227 CG ARG A 17 -15.756 -17.855 -2.757 1.00 0.00 C ATOM 228 CD ARG A 17 -16.290 -18.412 -1.440 1.00 0.00 C ATOM 229 NE ARG A 17 -17.330 -19.429 -1.695 1.00 0.00 N ATOM 230 CZ ARG A 17 -18.084 -19.983 -0.710 1.00 0.00 C ATOM 231 NH1 ARG A 17 -17.929 -19.634 0.552 1.00 0.00 N ATOM 232 NH2 ARG A 17 -18.980 -20.881 -1.020 1.00 0.00 N ATOM 0 H ARG A 17 -15.682 -14.722 -3.711 1.00 0.00 H new ATOM 0 HA ARG A 17 -15.803 -17.176 -5.382 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -17.367 -16.399 -2.868 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -17.654 -17.843 -3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.355 -18.664 -3.368 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.935 -17.165 -2.564 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.474 -18.853 -0.867 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -16.703 -17.604 -0.837 1.00 0.00 H new ATOM 0 HE ARG A 17 -17.490 -19.730 -2.656 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.231 -18.934 0.806 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -18.507 -20.064 1.275 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -19.108 -21.159 -1.993 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -19.552 -21.304 -0.289 1.00 0.00 H new ATOM 246 N PRO A 18 -17.617 -16.176 -6.884 1.00 0.00 N ATOM 247 CA PRO A 18 -18.654 -15.555 -7.769 1.00 0.00 C ATOM 248 C PRO A 18 -20.068 -16.013 -7.426 1.00 0.00 C ATOM 249 O PRO A 18 -20.263 -16.886 -6.575 1.00 0.00 O ATOM 250 CB PRO A 18 -18.263 -16.026 -9.158 1.00 0.00 C ATOM 251 CG PRO A 18 -17.655 -17.366 -8.937 1.00 0.00 C ATOM 252 CD PRO A 18 -16.886 -17.256 -7.622 1.00 0.00 C ATOM 0 HA PRO A 18 -18.678 -14.470 -7.664 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -19.130 -16.087 -9.816 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -17.556 -15.341 -9.625 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.421 -18.139 -8.880 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.991 -17.635 -9.758 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.895 -18.196 -7.071 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.841 -16.994 -7.788 1.00 0.00 H new ATOM 260 N GLY A 19 -21.049 -15.413 -8.105 1.00 0.00 N ATOM 261 CA GLY A 19 -22.464 -15.747 -7.893 1.00 0.00 C ATOM 262 C GLY A 19 -23.387 -14.516 -8.025 1.00 0.00 C ATOM 263 O GLY A 19 -24.568 -14.586 -7.667 1.00 0.00 O ATOM 0 H GLY A 19 -20.891 -14.691 -8.808 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -22.768 -16.504 -8.616 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -22.586 -16.185 -6.902 1.00 0.00 H new ATOM 267 N GLY A 20 -22.846 -13.394 -8.544 1.00 0.00 N ATOM 268 CA GLY A 20 -23.630 -12.167 -8.720 1.00 0.00 C ATOM 269 C GLY A 20 -23.962 -11.509 -7.376 1.00 0.00 C ATOM 270 O GLY A 20 -24.969 -10.805 -7.256 1.00 0.00 O ATOM 0 H GLY A 20 -21.874 -13.318 -8.845 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -23.073 -11.465 -9.341 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -24.554 -12.398 -9.250 1.00 0.00 H new ATOM 274 N VAL A 21 -23.110 -11.750 -6.370 1.00 0.00 N ATOM 275 CA VAL A 21 -23.310 -11.191 -5.032 1.00 0.00 C ATOM 276 C VAL A 21 -22.190 -10.209 -4.719 1.00 0.00 C ATOM 277 O VAL A 21 -21.006 -10.542 -4.858 1.00 0.00 O ATOM 278 CB VAL A 21 -23.343 -12.323 -3.971 1.00 0.00 C ATOM 279 CG1 VAL A 21 -23.575 -11.741 -2.563 1.00 0.00 C ATOM 280 CG2 VAL A 21 -24.471 -13.313 -4.297 1.00 0.00 C ATOM 0 H VAL A 21 -22.276 -12.330 -6.461 1.00 0.00 H new ATOM 0 HA VAL A 21 -24.266 -10.668 -5.004 1.00 0.00 H new ATOM 0 HB VAL A 21 -22.382 -12.837 -3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -23.595 -12.551 -1.833 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -22.768 -11.051 -2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -24.526 -11.210 -2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -24.488 -14.105 -3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -25.427 -12.789 -4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -24.300 -13.748 -5.281 1.00 0.00 H new ATOM 290 N VAL A 22 -22.571 -9.006 -4.293 1.00 0.00 N ATOM 291 CA VAL A 22 -21.596 -7.977 -3.954 1.00 0.00 C ATOM 292 C VAL A 22 -20.970 -8.307 -2.607 1.00 0.00 C ATOM 293 O VAL A 22 -21.665 -8.390 -1.589 1.00 0.00 O ATOM 294 CB VAL A 22 -22.272 -6.577 -3.917 1.00 0.00 C ATOM 295 CG1 VAL A 22 -21.240 -5.489 -3.565 1.00 0.00 C ATOM 296 CG2 VAL A 22 -22.880 -6.262 -5.291 1.00 0.00 C ATOM 0 H VAL A 22 -23.544 -8.723 -4.176 1.00 0.00 H new ATOM 0 HA VAL A 22 -20.817 -7.952 -4.716 1.00 0.00 H new ATOM 0 HB VAL A 22 -23.053 -6.589 -3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -21.730 -4.516 -3.544 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -20.809 -5.700 -2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -20.450 -5.481 -4.316 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -23.353 -5.281 -5.263 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -22.094 -6.264 -6.046 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -23.625 -7.017 -5.541 1.00 0.00 H new ATOM 306 N HIS A 23 -19.654 -8.502 -2.618 1.00 0.00 N ATOM 307 CA HIS A 23 -18.911 -8.834 -1.407 1.00 0.00 C ATOM 308 C HIS A 23 -18.003 -7.691 -1.017 1.00 0.00 C ATOM 309 O HIS A 23 -17.338 -7.092 -1.871 1.00 0.00 O ATOM 310 CB HIS A 23 -18.068 -10.099 -1.619 1.00 0.00 C ATOM 311 CG HIS A 23 -18.961 -11.277 -1.928 1.00 0.00 C ATOM 312 ND1 HIS A 23 -19.769 -11.867 -0.969 1.00 0.00 N ATOM 313 CD2 HIS A 23 -19.178 -11.982 -3.084 1.00 0.00 C ATOM 314 CE1 HIS A 23 -20.427 -12.882 -1.563 1.00 0.00 C ATOM 315 NE2 HIS A 23 -20.102 -12.993 -2.853 1.00 0.00 N ATOM 0 H HIS A 23 -19.078 -8.435 -3.457 1.00 0.00 H new ATOM 0 HA HIS A 23 -19.631 -9.014 -0.609 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -17.364 -9.943 -2.437 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -17.478 -10.305 -0.726 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -19.851 -11.585 0.008 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -18.702 -11.781 -4.032 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -21.131 -13.527 -1.057 1.00 0.00 H new ATOM 323 N SER A 24 -17.963 -7.407 0.281 1.00 0.00 N ATOM 324 CA SER A 24 -17.115 -6.347 0.811 1.00 0.00 C ATOM 325 C SER A 24 -16.130 -6.909 1.821 1.00 0.00 C ATOM 326 O SER A 24 -16.522 -7.598 2.770 1.00 0.00 O ATOM 327 CB SER A 24 -17.971 -5.264 1.468 1.00 0.00 C ATOM 328 OG SER A 24 -18.811 -4.668 0.487 1.00 0.00 O ATOM 0 H SER A 24 -18.511 -7.899 0.987 1.00 0.00 H new ATOM 0 HA SER A 24 -16.557 -5.907 -0.016 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.575 -5.696 2.266 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.333 -4.508 1.925 1.00 0.00 H new ATOM 0 HG SER A 24 -19.362 -3.974 0.906 1.00 0.00 H new ATOM 334 N PHE A 25 -14.855 -6.586 1.624 1.00 0.00 N ATOM 335 CA PHE A 25 -13.794 -7.025 2.524 1.00 0.00 C ATOM 336 C PHE A 25 -12.969 -5.821 2.944 1.00 0.00 C ATOM 337 O PHE A 25 -12.544 -5.031 2.093 1.00 0.00 O ATOM 338 CB PHE A 25 -12.897 -8.064 1.833 1.00 0.00 C ATOM 339 CG PHE A 25 -11.941 -8.666 2.843 1.00 0.00 C ATOM 340 CD1 PHE A 25 -12.343 -9.761 3.617 1.00 0.00 C ATOM 341 CD2 PHE A 25 -10.659 -8.128 3.007 1.00 0.00 C ATOM 342 CE1 PHE A 25 -11.465 -10.317 4.554 1.00 0.00 C ATOM 343 CE2 PHE A 25 -9.781 -8.685 3.946 1.00 0.00 C ATOM 344 CZ PHE A 25 -10.184 -9.780 4.718 1.00 0.00 C ATOM 0 H PHE A 25 -14.530 -6.017 0.842 1.00 0.00 H new ATOM 0 HA PHE A 25 -14.239 -7.490 3.404 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -13.509 -8.847 1.386 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -12.338 -7.595 1.023 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -13.332 -10.177 3.491 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -10.347 -7.284 2.410 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -11.777 -11.161 5.151 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.793 -8.269 4.074 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.506 -10.210 5.440 1.00 0.00 H new ATOM 354 N SER A 26 -12.780 -5.655 4.257 1.00 0.00 N ATOM 355 CA SER A 26 -12.045 -4.506 4.779 1.00 0.00 C ATOM 356 C SER A 26 -10.913 -4.939 5.693 1.00 0.00 C ATOM 357 O SER A 26 -10.907 -6.061 6.208 1.00 0.00 O ATOM 358 CB SER A 26 -12.990 -3.582 5.531 1.00 0.00 C ATOM 359 OG SER A 26 -13.432 -4.227 6.721 1.00 0.00 O ATOM 0 H SER A 26 -13.124 -6.298 4.970 1.00 0.00 H new ATOM 0 HA SER A 26 -11.611 -3.974 3.932 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.485 -2.648 5.776 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.844 -3.327 4.903 1.00 0.00 H new ATOM 0 HG SER A 26 -14.040 -3.633 7.209 1.00 0.00 H new ATOM 365 N HIS A 27 -9.950 -4.035 5.879 1.00 0.00 N ATOM 366 CA HIS A 27 -8.789 -4.300 6.722 1.00 0.00 C ATOM 367 C HIS A 27 -8.568 -3.144 7.696 1.00 0.00 C ATOM 368 O HIS A 27 -8.535 -1.975 7.288 1.00 0.00 O ATOM 369 CB HIS A 27 -7.546 -4.501 5.847 1.00 0.00 C ATOM 370 CG HIS A 27 -6.408 -5.026 6.680 1.00 0.00 C ATOM 371 ND1 HIS A 27 -5.540 -4.190 7.369 1.00 0.00 N ATOM 372 CD2 HIS A 27 -5.985 -6.302 6.942 1.00 0.00 C ATOM 373 CE1 HIS A 27 -4.646 -4.973 8.004 1.00 0.00 C ATOM 374 NE2 HIS A 27 -4.875 -6.269 7.776 1.00 0.00 N ATOM 0 H HIS A 27 -9.954 -3.108 5.453 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.969 -5.208 7.297 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.769 -5.199 5.040 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.262 -3.557 5.383 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.446 -7.200 6.557 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.843 -4.599 8.621 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -4.348 -7.064 8.137 1.00 0.00 H new ATOM 382 N ASN A 28 -8.448 -3.480 8.985 1.00 0.00 N ATOM 383 CA ASN A 28 -8.263 -2.478 10.034 1.00 0.00 C ATOM 384 C ASN A 28 -7.293 -2.972 11.106 1.00 0.00 C ATOM 385 O ASN A 28 -7.218 -4.171 11.388 1.00 0.00 O ATOM 386 CB ASN A 28 -9.610 -2.130 10.673 1.00 0.00 C ATOM 387 CG ASN A 28 -9.433 -1.021 11.708 1.00 0.00 C ATOM 388 OD1 ASN A 28 -8.946 0.062 11.384 1.00 0.00 O ATOM 389 ND2 ASN A 28 -9.804 -1.228 12.942 1.00 0.00 N ATOM 0 H ASN A 28 -8.476 -4.441 9.325 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.839 -1.585 9.575 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.314 -1.811 9.904 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.035 -3.015 11.147 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.691 -0.492 13.639 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.207 -2.126 13.209 1.00 0.00 H new ATOM 396 N VAL A 29 -6.561 -2.030 11.700 1.00 0.00 N ATOM 397 CA VAL A 29 -5.586 -2.336 12.757 1.00 0.00 C ATOM 398 C VAL A 29 -5.820 -1.445 13.975 1.00 0.00 C ATOM 399 O VAL A 29 -6.462 -0.394 13.867 1.00 0.00 O ATOM 400 CB VAL A 29 -4.144 -2.162 12.236 1.00 0.00 C ATOM 401 CG1 VAL A 29 -3.872 -3.200 11.140 1.00 0.00 C ATOM 402 CG2 VAL A 29 -3.942 -0.726 11.663 1.00 0.00 C ATOM 0 H VAL A 29 -6.623 -1.039 11.467 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.722 -3.376 13.055 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.448 -2.308 13.062 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.854 -3.080 10.770 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.993 -4.203 11.550 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.576 -3.056 10.320 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.920 -0.620 11.300 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.638 -0.561 10.841 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.126 0.008 12.447 1.00 0.00 H new ATOM 412 N GLY A 30 -5.338 -1.895 15.148 1.00 0.00 N ATOM 413 CA GLY A 30 -5.552 -1.153 16.397 1.00 0.00 C ATOM 414 C GLY A 30 -4.949 0.270 16.326 1.00 0.00 C ATOM 415 O GLY A 30 -5.661 1.244 16.587 1.00 0.00 O ATOM 0 H GLY A 30 -4.805 -2.758 15.254 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -6.620 -1.086 16.602 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.102 -1.698 17.226 1.00 0.00 H new ATOM 419 N PRO A 31 -3.665 0.429 15.929 1.00 0.00 N ATOM 420 CA PRO A 31 -3.045 1.793 15.778 1.00 0.00 C ATOM 421 C PRO A 31 -3.808 2.613 14.743 1.00 0.00 C ATOM 422 O PRO A 31 -4.108 3.790 14.952 1.00 0.00 O ATOM 423 CB PRO A 31 -1.622 1.485 15.282 1.00 0.00 C ATOM 424 CG PRO A 31 -1.359 0.090 15.740 1.00 0.00 C ATOM 425 CD PRO A 31 -2.687 -0.637 15.601 1.00 0.00 C ATOM 0 HA PRO A 31 -3.058 2.375 16.700 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.554 1.566 14.197 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.897 2.183 15.700 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.586 -0.383 15.134 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.009 0.075 16.772 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.834 -1.028 14.594 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.762 -1.482 16.285 1.00 0.00 H new ATOM 433 N GLY A 32 -4.147 1.948 13.641 1.00 0.00 N ATOM 434 CA GLY A 32 -4.916 2.553 12.555 1.00 0.00 C ATOM 435 C GLY A 32 -6.415 2.298 12.729 1.00 0.00 C ATOM 436 O GLY A 32 -7.129 2.083 11.746 1.00 0.00 O ATOM 0 H GLY A 32 -3.896 0.973 13.475 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.728 3.626 12.527 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.584 2.146 11.600 1.00 0.00 H new ATOM 440 N ASP A 33 -6.876 2.282 13.986 1.00 0.00 N ATOM 441 CA ASP A 33 -8.286 2.004 14.289 1.00 0.00 C ATOM 442 C ASP A 33 -9.220 2.981 13.575 1.00 0.00 C ATOM 443 O ASP A 33 -10.339 2.615 13.202 1.00 0.00 O ATOM 444 CB ASP A 33 -8.527 2.061 15.805 1.00 0.00 C ATOM 445 CG ASP A 33 -8.139 3.436 16.399 1.00 0.00 C ATOM 446 OD1 ASP A 33 -7.502 4.225 15.707 1.00 0.00 O ATOM 447 OD2 ASP A 33 -8.490 3.675 17.544 1.00 0.00 O ATOM 0 H ASP A 33 -6.296 2.457 14.807 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.509 1.001 13.926 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.578 1.859 16.014 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.948 1.278 16.294 1.00 0.00 H new ATOM 452 N LYS A 34 -8.748 4.211 13.374 1.00 0.00 N ATOM 453 CA LYS A 34 -9.536 5.239 12.682 1.00 0.00 C ATOM 454 C LYS A 34 -9.320 5.209 11.159 1.00 0.00 C ATOM 455 O LYS A 34 -9.939 5.987 10.436 1.00 0.00 O ATOM 456 CB LYS A 34 -9.181 6.622 13.215 1.00 0.00 C ATOM 457 CG LYS A 34 -9.607 6.723 14.672 1.00 0.00 C ATOM 458 CD LYS A 34 -9.281 8.123 15.200 1.00 0.00 C ATOM 459 CE LYS A 34 -9.687 8.229 16.672 1.00 0.00 C ATOM 460 NZ LYS A 34 -11.165 8.063 16.797 1.00 0.00 N ATOM 0 H LYS A 34 -7.826 4.523 13.679 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.586 5.022 12.877 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.109 6.795 13.125 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.679 7.391 12.624 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.675 6.527 14.765 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.092 5.969 15.266 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -8.215 8.323 15.092 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.808 8.875 14.613 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.174 7.465 17.257 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.384 9.196 17.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.481 8.444 17.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.638 8.576 16.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.407 7.053 16.741 1.00 0.00 H new ATOM 474 N TYR A 35 -8.419 4.331 10.685 1.00 0.00 N ATOM 475 CA TYR A 35 -8.113 4.245 9.240 1.00 0.00 C ATOM 476 C TYR A 35 -8.308 2.815 8.727 1.00 0.00 C ATOM 477 O TYR A 35 -7.815 1.862 9.337 1.00 0.00 O ATOM 478 CB TYR A 35 -6.662 4.694 8.979 1.00 0.00 C ATOM 479 CG TYR A 35 -6.469 6.120 9.467 1.00 0.00 C ATOM 480 CD1 TYR A 35 -5.878 6.355 10.715 1.00 0.00 C ATOM 481 CD2 TYR A 35 -6.893 7.196 8.681 1.00 0.00 C ATOM 482 CE1 TYR A 35 -5.711 7.665 11.175 1.00 0.00 C ATOM 483 CE2 TYR A 35 -6.724 8.507 9.142 1.00 0.00 C ATOM 484 CZ TYR A 35 -6.133 8.741 10.389 1.00 0.00 C ATOM 485 OH TYR A 35 -5.970 10.033 10.844 1.00 0.00 O ATOM 0 H TYR A 35 -7.895 3.679 11.268 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.798 4.904 8.707 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.968 4.028 9.491 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.438 4.631 7.914 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.551 5.524 11.322 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.350 7.016 7.719 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.256 7.845 12.138 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.050 9.339 8.535 1.00 0.00 H new ATOM 0 HH TYR A 35 -5.182 10.078 11.425 1.00 0.00 H new ATOM 495 N THR A 36 -9.038 2.670 7.601 1.00 0.00 N ATOM 496 CA THR A 36 -9.297 1.330 7.023 1.00 0.00 C ATOM 497 C THR A 36 -9.213 1.346 5.501 1.00 0.00 C ATOM 498 O THR A 36 -9.416 2.384 4.866 1.00 0.00 O ATOM 499 CB THR A 36 -10.703 0.814 7.411 1.00 0.00 C ATOM 500 OG1 THR A 36 -11.682 1.586 6.740 1.00 0.00 O ATOM 501 CG2 THR A 36 -10.935 0.915 8.921 1.00 0.00 C ATOM 0 H THR A 36 -9.452 3.445 7.082 1.00 0.00 H new ATOM 0 HA THR A 36 -8.528 0.672 7.428 1.00 0.00 H new ATOM 0 HB THR A 36 -10.776 -0.234 7.121 1.00 0.00 H new ATOM 0 HG1 THR A 36 -12.223 1.003 6.167 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.932 0.545 9.162 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.189 0.316 9.444 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.849 1.956 9.233 1.00 0.00 H new ATOM 509 N CYS A 37 -9.062 0.147 4.925 1.00 0.00 N ATOM 510 CA CYS A 37 -9.122 -0.039 3.473 1.00 0.00 C ATOM 511 C CYS A 37 -10.267 -0.993 3.146 1.00 0.00 C ATOM 512 O CYS A 37 -10.332 -2.091 3.698 1.00 0.00 O ATOM 513 CB CYS A 37 -7.797 -0.604 2.912 1.00 0.00 C ATOM 514 SG CYS A 37 -6.469 0.626 3.062 1.00 0.00 S ATOM 0 H CYS A 37 -8.896 -0.713 5.448 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.288 0.933 3.008 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.524 -1.511 3.452 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.927 -0.882 1.866 1.00 0.00 H new ATOM 519 N MET A 38 -11.184 -0.553 2.277 1.00 0.00 N ATOM 520 CA MET A 38 -12.356 -1.360 1.915 1.00 0.00 C ATOM 521 C MET A 38 -12.346 -1.736 0.458 1.00 0.00 C ATOM 522 O MET A 38 -11.959 -0.935 -0.401 1.00 0.00 O ATOM 523 CB MET A 38 -13.645 -0.612 2.225 1.00 0.00 C ATOM 524 CG MET A 38 -13.768 -0.434 3.727 1.00 0.00 C ATOM 525 SD MET A 38 -15.321 0.409 4.115 1.00 0.00 S ATOM 526 CE MET A 38 -15.259 0.176 5.908 1.00 0.00 C ATOM 0 H MET A 38 -11.138 0.354 1.813 1.00 0.00 H new ATOM 0 HA MET A 38 -12.308 -2.271 2.512 1.00 0.00 H new ATOM 0 HB2 MET A 38 -13.644 0.359 1.730 1.00 0.00 H new ATOM 0 HB3 MET A 38 -14.502 -1.165 1.841 1.00 0.00 H new ATOM 0 HG2 MET A 38 -13.736 -1.405 4.222 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.925 0.144 4.105 1.00 0.00 H new ATOM 0 HE1 MET A 38 -16.071 0.733 6.376 1.00 0.00 H new ATOM 0 HE2 MET A 38 -15.364 -0.884 6.141 1.00 0.00 H new ATOM 0 HE3 MET A 38 -14.304 0.539 6.289 1.00 0.00 H new ATOM 536 N PHE A 39 -12.784 -2.963 0.184 1.00 0.00 N ATOM 537 CA PHE A 39 -12.841 -3.467 -1.191 1.00 0.00 C ATOM 538 C PHE A 39 -14.193 -4.121 -1.471 1.00 0.00 C ATOM 539 O PHE A 39 -14.504 -5.185 -0.926 1.00 0.00 O ATOM 540 CB PHE A 39 -11.691 -4.475 -1.455 1.00 0.00 C ATOM 541 CG PHE A 39 -10.346 -3.856 -1.056 1.00 0.00 C ATOM 542 CD1 PHE A 39 -9.603 -4.415 -0.006 1.00 0.00 C ATOM 543 CD2 PHE A 39 -9.867 -2.717 -1.723 1.00 0.00 C ATOM 544 CE1 PHE A 39 -8.386 -3.838 0.374 1.00 0.00 C ATOM 545 CE2 PHE A 39 -8.650 -2.145 -1.341 1.00 0.00 C ATOM 546 CZ PHE A 39 -7.910 -2.703 -0.293 1.00 0.00 C ATOM 0 H PHE A 39 -13.104 -3.626 0.890 1.00 0.00 H new ATOM 0 HA PHE A 39 -12.720 -2.620 -1.866 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -11.862 -5.390 -0.888 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -11.674 -4.752 -2.509 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.970 -5.290 0.509 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -10.438 -2.283 -2.530 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.814 -4.269 1.182 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -8.280 -1.271 -1.856 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.971 -2.258 0.002 1.00 0.00 H new ATOM 556 N THR A 40 -14.987 -3.476 -2.330 1.00 0.00 N ATOM 557 CA THR A 40 -16.315 -3.986 -2.699 1.00 0.00 C ATOM 558 C THR A 40 -16.331 -4.366 -4.186 1.00 0.00 C ATOM 559 O THR A 40 -15.916 -3.577 -5.034 1.00 0.00 O ATOM 560 CB THR A 40 -17.384 -2.909 -2.410 1.00 0.00 C ATOM 561 OG1 THR A 40 -17.336 -2.564 -1.032 1.00 0.00 O ATOM 562 CG2 THR A 40 -18.789 -3.443 -2.742 1.00 0.00 C ATOM 0 H THR A 40 -14.735 -2.598 -2.785 1.00 0.00 H new ATOM 0 HA THR A 40 -16.539 -4.874 -2.108 1.00 0.00 H new ATOM 0 HB THR A 40 -17.180 -2.035 -3.028 1.00 0.00 H new ATOM 0 HG1 THR A 40 -17.816 -3.240 -0.509 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.530 -2.672 -2.533 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.835 -3.714 -3.797 1.00 0.00 H new ATOM 0 HG23 THR A 40 -18.998 -4.322 -2.132 1.00 0.00 H new ATOM 570 N TYR A 41 -16.786 -5.594 -4.484 1.00 0.00 N ATOM 571 CA TYR A 41 -16.816 -6.086 -5.871 1.00 0.00 C ATOM 572 C TYR A 41 -17.866 -7.191 -6.079 1.00 0.00 C ATOM 573 O TYR A 41 -18.301 -7.840 -5.125 1.00 0.00 O ATOM 574 CB TYR A 41 -15.418 -6.603 -6.283 1.00 0.00 C ATOM 575 CG TYR A 41 -14.985 -7.730 -5.357 1.00 0.00 C ATOM 576 CD1 TYR A 41 -15.362 -9.048 -5.637 1.00 0.00 C ATOM 577 CD2 TYR A 41 -14.216 -7.448 -4.221 1.00 0.00 C ATOM 578 CE1 TYR A 41 -14.971 -10.083 -4.781 1.00 0.00 C ATOM 579 CE2 TYR A 41 -13.824 -8.483 -3.365 1.00 0.00 C ATOM 580 CZ TYR A 41 -14.202 -9.801 -3.646 1.00 0.00 C ATOM 581 OH TYR A 41 -13.816 -10.823 -2.802 1.00 0.00 O ATOM 0 H TYR A 41 -17.134 -6.258 -3.792 1.00 0.00 H new ATOM 0 HA TYR A 41 -17.099 -5.245 -6.504 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -15.442 -6.957 -7.314 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -14.694 -5.789 -6.242 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.954 -9.266 -6.513 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -13.925 -6.430 -4.005 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -15.263 -11.100 -4.996 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.231 -8.265 -2.489 1.00 0.00 H new ATOM 0 HH TYR A 41 -12.899 -10.665 -2.495 1.00 0.00 H new ATOM 591 N ALA A 42 -18.217 -7.421 -7.351 1.00 0.00 N ATOM 592 CA ALA A 42 -19.163 -8.475 -7.731 1.00 0.00 C ATOM 593 C ALA A 42 -18.539 -9.359 -8.812 1.00 0.00 C ATOM 594 O ALA A 42 -17.843 -8.852 -9.704 1.00 0.00 O ATOM 595 CB ALA A 42 -20.461 -7.854 -8.254 1.00 0.00 C ATOM 0 H ALA A 42 -17.855 -6.885 -8.140 1.00 0.00 H new ATOM 0 HA ALA A 42 -19.391 -9.082 -6.855 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -21.156 -8.646 -8.533 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -20.908 -7.236 -7.475 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -20.244 -7.237 -9.126 1.00 0.00 H new ATOM 601 N SER A 43 -18.753 -10.686 -8.711 1.00 0.00 N ATOM 602 CA SER A 43 -18.160 -11.630 -9.669 1.00 0.00 C ATOM 603 C SER A 43 -19.168 -12.660 -10.158 1.00 0.00 C ATOM 604 O SER A 43 -20.151 -12.964 -9.476 1.00 0.00 O ATOM 605 CB SER A 43 -16.963 -12.337 -9.040 1.00 0.00 C ATOM 606 OG SER A 43 -15.992 -11.372 -8.658 1.00 0.00 O ATOM 0 H SER A 43 -19.324 -11.120 -7.986 1.00 0.00 H new ATOM 0 HA SER A 43 -17.833 -11.051 -10.533 1.00 0.00 H new ATOM 0 HB2 SER A 43 -17.282 -12.912 -8.171 1.00 0.00 H new ATOM 0 HB3 SER A 43 -16.531 -13.044 -9.748 1.00 0.00 H new ATOM 0 HG SER A 43 -15.136 -11.581 -9.087 1.00 0.00 H new ATOM 612 N GLN A 44 -18.892 -13.211 -11.342 1.00 0.00 N ATOM 613 CA GLN A 44 -19.738 -14.236 -11.949 1.00 0.00 C ATOM 614 C GLN A 44 -18.875 -15.393 -12.466 1.00 0.00 C ATOM 615 O GLN A 44 -17.875 -15.172 -13.156 1.00 0.00 O ATOM 616 CB GLN A 44 -20.554 -13.633 -13.103 1.00 0.00 C ATOM 617 CG GLN A 44 -21.599 -14.648 -13.606 1.00 0.00 C ATOM 618 CD GLN A 44 -22.616 -14.964 -12.506 1.00 0.00 C ATOM 619 OE1 GLN A 44 -23.253 -14.058 -11.970 1.00 0.00 O ATOM 620 NE2 GLN A 44 -22.802 -16.201 -12.139 1.00 0.00 N ATOM 0 H GLN A 44 -18.079 -12.959 -11.904 1.00 0.00 H new ATOM 0 HA GLN A 44 -20.424 -14.617 -11.193 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -21.052 -12.723 -12.769 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -19.889 -13.351 -13.919 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -22.113 -14.247 -14.479 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -21.101 -15.564 -13.922 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -22.273 -16.950 -12.585 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.477 -16.420 -11.406 1.00 0.00 H new ATOM 629 N GLY A 45 -19.256 -16.618 -12.096 1.00 0.00 N ATOM 630 CA GLY A 45 -18.519 -17.816 -12.482 1.00 0.00 C ATOM 631 C GLY A 45 -18.923 -18.984 -11.597 1.00 0.00 C ATOM 632 O GLY A 45 -19.822 -18.850 -10.759 1.00 0.00 O ATOM 0 H GLY A 45 -20.080 -16.803 -11.524 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.719 -18.055 -13.527 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.447 -17.637 -12.395 1.00 0.00 H new ATOM 636 N GLY A 46 -18.269 -20.134 -11.792 1.00 0.00 N ATOM 637 CA GLY A 46 -18.582 -21.336 -11.007 1.00 0.00 C ATOM 638 C GLY A 46 -17.439 -21.757 -10.064 1.00 0.00 C ATOM 639 O GLY A 46 -17.565 -22.762 -9.355 1.00 0.00 O ATOM 0 H GLY A 46 -17.526 -20.259 -12.480 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -19.482 -21.155 -10.419 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.806 -22.158 -11.687 1.00 0.00 H new ATOM 643 N THR A 47 -16.318 -21.009 -10.075 1.00 0.00 N ATOM 644 CA THR A 47 -15.171 -21.339 -9.243 1.00 0.00 C ATOM 645 C THR A 47 -14.707 -20.140 -8.425 1.00 0.00 C ATOM 646 O THR A 47 -14.902 -18.988 -8.822 1.00 0.00 O ATOM 647 CB THR A 47 -14.028 -21.826 -10.123 1.00 0.00 C ATOM 648 OG1 THR A 47 -13.703 -20.827 -11.081 1.00 0.00 O ATOM 649 CG2 THR A 47 -14.416 -23.127 -10.832 1.00 0.00 C ATOM 0 H THR A 47 -16.194 -20.178 -10.653 1.00 0.00 H new ATOM 0 HA THR A 47 -15.473 -22.124 -8.549 1.00 0.00 H new ATOM 0 HB THR A 47 -13.158 -22.020 -9.496 1.00 0.00 H new ATOM 0 HG1 THR A 47 -12.966 -21.142 -11.645 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.588 -23.462 -11.457 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.643 -23.892 -10.090 1.00 0.00 H new ATOM 0 HG23 THR A 47 -15.294 -22.954 -11.455 1.00 0.00 H new ATOM 657 N ASN A 48 -14.063 -20.430 -7.288 1.00 0.00 N ATOM 658 CA ASN A 48 -13.530 -19.395 -6.415 1.00 0.00 C ATOM 659 C ASN A 48 -12.086 -19.063 -6.793 1.00 0.00 C ATOM 660 O ASN A 48 -11.528 -19.665 -7.717 1.00 0.00 O ATOM 661 CB ASN A 48 -13.605 -19.854 -4.948 1.00 0.00 C ATOM 662 CG ASN A 48 -12.759 -21.120 -4.713 1.00 0.00 C ATOM 663 OD1 ASN A 48 -11.863 -21.443 -5.500 1.00 0.00 O ATOM 664 ND2 ASN A 48 -12.999 -21.859 -3.666 1.00 0.00 N ATOM 0 H ASN A 48 -13.901 -21.381 -6.956 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.132 -18.494 -6.536 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.255 -19.054 -4.296 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.643 -20.052 -4.680 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.448 -22.701 -3.499 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.738 -21.595 -3.014 1.00 0.00 H new ATOM 671 N GLU A 49 -11.486 -18.109 -6.069 1.00 0.00 N ATOM 672 CA GLU A 49 -10.110 -17.703 -6.322 1.00 0.00 C ATOM 673 C GLU A 49 -9.455 -17.227 -5.032 1.00 0.00 C ATOM 674 O GLU A 49 -10.126 -16.712 -4.139 1.00 0.00 O ATOM 675 CB GLU A 49 -10.076 -16.593 -7.381 1.00 0.00 C ATOM 676 CG GLU A 49 -8.618 -16.236 -7.754 1.00 0.00 C ATOM 677 CD GLU A 49 -7.884 -17.441 -8.379 1.00 0.00 C ATOM 678 OE1 GLU A 49 -8.548 -18.321 -8.916 1.00 0.00 O ATOM 679 OE2 GLU A 49 -6.665 -17.461 -8.311 1.00 0.00 O ATOM 0 H GLU A 49 -11.938 -17.608 -5.304 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.552 -18.561 -6.697 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.615 -16.917 -8.271 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.587 -15.707 -7.003 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.614 -15.402 -8.456 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.084 -15.905 -6.863 1.00 0.00 H new ATOM 686 N GLN A 50 -8.140 -17.393 -4.957 1.00 0.00 N ATOM 687 CA GLN A 50 -7.372 -16.961 -3.795 1.00 0.00 C ATOM 688 C GLN A 50 -6.610 -15.684 -4.112 1.00 0.00 C ATOM 689 O GLN A 50 -5.984 -15.572 -5.165 1.00 0.00 O ATOM 690 CB GLN A 50 -6.407 -18.062 -3.358 1.00 0.00 C ATOM 691 CG GLN A 50 -7.213 -19.255 -2.837 1.00 0.00 C ATOM 692 CD GLN A 50 -6.277 -20.384 -2.407 1.00 0.00 C ATOM 693 OE1 GLN A 50 -5.206 -20.130 -1.852 1.00 0.00 O ATOM 694 NE2 GLN A 50 -6.624 -21.625 -2.623 1.00 0.00 N ATOM 0 H GLN A 50 -7.580 -17.826 -5.692 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.062 -16.759 -2.976 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.781 -18.368 -4.196 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.739 -17.691 -2.581 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.830 -18.945 -1.994 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.890 -19.611 -3.613 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.510 -21.834 -3.082 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.009 -22.385 -2.332 1.00 0.00 H new ATOM 703 N TRP A 51 -6.711 -14.707 -3.210 1.00 0.00 N ATOM 704 CA TRP A 51 -6.064 -13.405 -3.390 1.00 0.00 C ATOM 705 C TRP A 51 -5.241 -13.014 -2.166 1.00 0.00 C ATOM 706 O TRP A 51 -5.612 -13.322 -1.030 1.00 0.00 O ATOM 707 CB TRP A 51 -7.115 -12.332 -3.673 1.00 0.00 C ATOM 708 CG TRP A 51 -7.730 -12.566 -5.021 1.00 0.00 C ATOM 709 CD1 TRP A 51 -8.604 -13.558 -5.322 1.00 0.00 C ATOM 710 CD2 TRP A 51 -7.549 -11.796 -6.246 1.00 0.00 C ATOM 711 NE1 TRP A 51 -8.955 -13.449 -6.658 1.00 0.00 N ATOM 712 CE2 TRP A 51 -8.332 -12.378 -7.267 1.00 0.00 C ATOM 713 CE3 TRP A 51 -6.782 -10.659 -6.566 1.00 0.00 C ATOM 714 CZ2 TRP A 51 -8.359 -11.856 -8.560 1.00 0.00 C ATOM 715 CZ3 TRP A 51 -6.806 -10.128 -7.870 1.00 0.00 C ATOM 716 CH2 TRP A 51 -7.594 -10.727 -8.865 1.00 0.00 C ATOM 0 H TRP A 51 -7.238 -14.793 -2.341 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.386 -13.485 -4.240 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -7.886 -12.353 -2.903 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.657 -11.343 -3.639 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -8.966 -14.308 -4.635 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -9.596 -14.083 -7.134 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.172 -10.192 -5.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.968 -12.322 -9.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -6.215 -9.255 -8.106 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -7.609 -10.316 -9.864 1.00 0.00 H new ATOM 727 N GLN A 52 -4.129 -12.311 -2.414 1.00 0.00 N ATOM 728 CA GLN A 52 -3.248 -11.843 -1.339 1.00 0.00 C ATOM 729 C GLN A 52 -3.291 -10.326 -1.247 1.00 0.00 C ATOM 730 O GLN A 52 -3.391 -9.639 -2.270 1.00 0.00 O ATOM 731 CB GLN A 52 -1.793 -12.284 -1.592 1.00 0.00 C ATOM 732 CG GLN A 52 -1.697 -13.820 -1.688 1.00 0.00 C ATOM 733 CD GLN A 52 -2.132 -14.474 -0.374 1.00 0.00 C ATOM 734 OE1 GLN A 52 -1.734 -14.028 0.703 1.00 0.00 O ATOM 735 NE2 GLN A 52 -2.926 -15.508 -0.403 1.00 0.00 N ATOM 0 H GLN A 52 -3.819 -12.054 -3.351 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.600 -12.281 -0.405 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.427 -11.834 -2.514 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.154 -11.925 -0.786 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.325 -14.178 -2.503 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.673 -14.111 -1.923 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.254 -15.875 -1.297 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.220 -15.950 0.468 1.00 0.00 H new ATOM 744 N MET A 53 -3.188 -9.807 -0.019 1.00 0.00 N ATOM 745 CA MET A 53 -3.186 -8.364 0.206 1.00 0.00 C ATOM 746 C MET A 53 -2.038 -7.960 1.099 1.00 0.00 C ATOM 747 O MET A 53 -1.690 -8.678 2.039 1.00 0.00 O ATOM 748 CB MET A 53 -4.503 -7.913 0.830 1.00 0.00 C ATOM 749 CG MET A 53 -5.625 -8.113 -0.171 1.00 0.00 C ATOM 750 SD MET A 53 -7.141 -7.338 0.449 1.00 0.00 S ATOM 751 CE MET A 53 -7.494 -8.508 1.791 1.00 0.00 C ATOM 0 H MET A 53 -3.105 -10.366 0.830 1.00 0.00 H new ATOM 0 HA MET A 53 -3.067 -7.878 -0.762 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.703 -8.483 1.737 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.441 -6.864 1.120 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.350 -7.679 -1.132 1.00 0.00 H new ATOM 0 HG3 MET A 53 -5.791 -9.177 -0.338 1.00 0.00 H new ATOM 0 HE1 MET A 53 -8.503 -8.904 1.673 1.00 0.00 H new ATOM 0 HE2 MET A 53 -6.776 -9.328 1.757 1.00 0.00 H new ATOM 0 HE3 MET A 53 -7.415 -7.996 2.750 1.00 0.00 H new ATOM 761 N SER A 54 -1.470 -6.794 0.814 1.00 0.00 N ATOM 762 CA SER A 54 -0.373 -6.259 1.608 1.00 0.00 C ATOM 763 C SER A 54 -0.540 -4.765 1.792 1.00 0.00 C ATOM 764 O SER A 54 -0.690 -4.029 0.810 1.00 0.00 O ATOM 765 CB SER A 54 0.965 -6.550 0.931 1.00 0.00 C ATOM 766 OG SER A 54 2.017 -5.997 1.712 1.00 0.00 O ATOM 0 H SER A 54 -1.753 -6.200 0.035 1.00 0.00 H new ATOM 0 HA SER A 54 -0.387 -6.742 2.585 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.104 -7.626 0.822 1.00 0.00 H new ATOM 0 HB3 SER A 54 0.978 -6.124 -0.072 1.00 0.00 H new ATOM 0 HG SER A 54 2.877 -6.184 1.281 1.00 0.00 H new ATOM 772 N LEU A 55 -0.507 -4.310 3.054 1.00 0.00 N ATOM 773 CA LEU A 55 -0.651 -2.882 3.347 1.00 0.00 C ATOM 774 C LEU A 55 0.344 -2.437 4.405 1.00 0.00 C ATOM 775 O LEU A 55 0.683 -3.203 5.313 1.00 0.00 O ATOM 776 CB LEU A 55 -2.089 -2.554 3.799 1.00 0.00 C ATOM 777 CG LEU A 55 -2.472 -3.385 5.066 1.00 0.00 C ATOM 778 CD1 LEU A 55 -3.413 -2.565 5.974 1.00 0.00 C ATOM 779 CD2 LEU A 55 -3.177 -4.690 4.642 1.00 0.00 C ATOM 0 H LEU A 55 -0.384 -4.903 3.875 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.443 -2.335 2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.173 -1.489 4.017 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.788 -2.770 2.991 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.562 -3.625 5.617 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -3.674 -3.153 6.854 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -2.911 -1.649 6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.320 -2.313 5.425 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.442 -5.265 5.529 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.081 -4.450 4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.507 -5.278 4.015 1.00 0.00 H new ATOM 791 N GLY A 56 0.802 -1.192 4.279 1.00 0.00 N ATOM 792 CA GLY A 56 1.758 -0.625 5.219 1.00 0.00 C ATOM 793 C GLY A 56 1.475 0.848 5.454 1.00 0.00 C ATOM 794 O GLY A 56 0.952 1.541 4.570 1.00 0.00 O ATOM 0 H GLY A 56 0.523 -0.558 3.531 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.709 -1.165 6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.770 -0.748 4.834 1.00 0.00 H new ATOM 798 N THR A 57 1.826 1.321 6.650 1.00 0.00 N ATOM 799 CA THR A 57 1.620 2.719 7.018 1.00 0.00 C ATOM 800 C THR A 57 2.885 3.295 7.640 1.00 0.00 C ATOM 801 O THR A 57 3.702 2.555 8.200 1.00 0.00 O ATOM 802 CB THR A 57 0.455 2.846 8.018 1.00 0.00 C ATOM 803 OG1 THR A 57 0.768 2.123 9.201 1.00 0.00 O ATOM 804 CG2 THR A 57 -0.835 2.285 7.401 1.00 0.00 C ATOM 0 H THR A 57 2.255 0.754 7.381 1.00 0.00 H new ATOM 0 HA THR A 57 1.378 3.277 6.113 1.00 0.00 H new ATOM 0 HB THR A 57 0.305 3.898 8.258 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.029 2.204 9.839 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.652 2.380 8.117 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.078 2.843 6.497 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.692 1.234 7.151 1.00 0.00 H new ATOM 812 N SER A 58 3.021 4.618 7.571 1.00 0.00 N ATOM 813 CA SER A 58 4.167 5.310 8.161 1.00 0.00 C ATOM 814 C SER A 58 4.121 5.200 9.682 1.00 0.00 C ATOM 815 O SER A 58 3.040 5.061 10.261 1.00 0.00 O ATOM 816 CB SER A 58 4.172 6.780 7.744 1.00 0.00 C ATOM 817 OG SER A 58 5.257 7.445 8.381 1.00 0.00 O ATOM 0 H SER A 58 2.350 5.234 7.111 1.00 0.00 H new ATOM 0 HA SER A 58 5.081 4.840 7.799 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.265 6.863 6.661 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.229 7.252 8.020 1.00 0.00 H new ATOM 0 HG SER A 58 5.859 7.814 7.701 1.00 0.00 H new ATOM 823 N GLU A 59 5.299 5.244 10.327 1.00 0.00 N ATOM 824 CA GLU A 59 5.366 5.152 11.795 1.00 0.00 C ATOM 825 C GLU A 59 4.526 6.264 12.455 1.00 0.00 C ATOM 826 O GLU A 59 3.982 6.076 13.548 1.00 0.00 O ATOM 827 CB GLU A 59 6.831 5.225 12.275 1.00 0.00 C ATOM 828 CG GLU A 59 7.466 6.573 11.856 1.00 0.00 C ATOM 829 CD GLU A 59 8.921 6.692 12.360 1.00 0.00 C ATOM 830 OE1 GLU A 59 9.523 5.671 12.676 1.00 0.00 O ATOM 831 OE2 GLU A 59 9.406 7.810 12.425 1.00 0.00 O ATOM 0 H GLU A 59 6.203 5.341 9.865 1.00 0.00 H new ATOM 0 HA GLU A 59 4.950 4.190 12.094 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.872 5.117 13.359 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.402 4.399 11.851 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.447 6.664 10.770 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.873 7.396 12.255 1.00 0.00 H new ATOM 838 N ASP A 60 4.387 7.394 11.751 1.00 0.00 N ATOM 839 CA ASP A 60 3.570 8.517 12.223 1.00 0.00 C ATOM 840 C ASP A 60 2.131 8.450 11.655 1.00 0.00 C ATOM 841 O ASP A 60 1.296 9.301 11.970 1.00 0.00 O ATOM 842 CB ASP A 60 4.219 9.846 11.822 1.00 0.00 C ATOM 843 CG ASP A 60 3.669 10.989 12.679 1.00 0.00 C ATOM 844 OD1 ASP A 60 3.535 10.796 13.878 1.00 0.00 O ATOM 845 OD2 ASP A 60 3.388 12.037 12.122 1.00 0.00 O ATOM 0 H ASP A 60 4.833 7.554 10.848 1.00 0.00 H new ATOM 0 HA ASP A 60 3.511 8.450 13.309 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.300 9.781 11.942 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.027 10.048 10.768 1.00 0.00 H new ATOM 850 N HIS A 61 1.856 7.432 10.808 1.00 0.00 N ATOM 851 CA HIS A 61 0.532 7.253 10.190 1.00 0.00 C ATOM 852 C HIS A 61 0.165 8.451 9.297 1.00 0.00 C ATOM 853 O HIS A 61 -1.016 8.754 9.097 1.00 0.00 O ATOM 854 CB HIS A 61 -0.535 7.042 11.279 1.00 0.00 C ATOM 855 CG HIS A 61 -0.236 5.771 12.029 1.00 0.00 C ATOM 856 ND1 HIS A 61 -0.941 4.597 11.807 1.00 0.00 N ATOM 857 CD2 HIS A 61 0.705 5.469 12.982 1.00 0.00 C ATOM 858 CE1 HIS A 61 -0.417 3.653 12.613 1.00 0.00 C ATOM 859 NE2 HIS A 61 0.588 4.133 13.350 1.00 0.00 N ATOM 0 H HIS A 61 2.538 6.723 10.539 1.00 0.00 H new ATOM 0 HA HIS A 61 0.570 6.368 9.555 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -0.544 7.889 11.965 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.526 6.987 10.828 1.00 0.00 H new ATOM 0 HD2 HIS A 61 1.427 6.164 13.385 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -0.767 2.632 12.658 1.00 0.00 H new ATOM 0 HE2 HIS A 61 1.149 3.628 14.036 1.00 0.00 H new ATOM 867 N GLN A 62 1.193 9.093 8.728 1.00 0.00 N ATOM 868 CA GLN A 62 1.004 10.222 7.813 1.00 0.00 C ATOM 869 C GLN A 62 0.506 9.751 6.434 1.00 0.00 C ATOM 870 O GLN A 62 -0.220 10.477 5.749 1.00 0.00 O ATOM 871 CB GLN A 62 2.309 11.032 7.677 1.00 0.00 C ATOM 872 CG GLN A 62 3.433 10.141 7.141 1.00 0.00 C ATOM 873 CD GLN A 62 4.712 10.950 6.970 1.00 0.00 C ATOM 874 OE1 GLN A 62 4.722 11.949 6.250 1.00 0.00 O ATOM 875 NE2 GLN A 62 5.796 10.578 7.593 1.00 0.00 N ATOM 0 H GLN A 62 2.170 8.846 8.888 1.00 0.00 H new ATOM 0 HA GLN A 62 0.237 10.870 8.236 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.153 11.876 7.005 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.592 11.444 8.646 1.00 0.00 H new ATOM 0 HG2 GLN A 62 3.608 9.312 7.827 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.138 9.707 6.185 1.00 0.00 H new ATOM 0 HE21 GLN A 62 5.783 9.750 8.188 1.00 0.00 H new ATOM 0 HE22 GLN A 62 6.656 11.115 7.485 1.00 0.00 H new ATOM 884 N HIS A 63 0.888 8.519 6.050 1.00 0.00 N ATOM 885 CA HIS A 63 0.461 7.937 4.774 1.00 0.00 C ATOM 886 C HIS A 63 -0.016 6.497 4.946 1.00 0.00 C ATOM 887 O HIS A 63 0.537 5.739 5.748 1.00 0.00 O ATOM 888 CB HIS A 63 1.592 7.981 3.741 1.00 0.00 C ATOM 889 CG HIS A 63 1.949 9.406 3.420 1.00 0.00 C ATOM 890 ND1 HIS A 63 1.073 10.249 2.756 1.00 0.00 N ATOM 891 CD2 HIS A 63 3.090 10.139 3.628 1.00 0.00 C ATOM 892 CE1 HIS A 63 1.696 11.428 2.588 1.00 0.00 C ATOM 893 NE2 HIS A 63 2.929 11.415 3.102 1.00 0.00 N ATOM 0 H HIS A 63 1.490 7.912 6.607 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.373 8.539 4.414 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.467 7.458 4.127 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.285 7.462 2.833 1.00 0.00 H new ATOM 0 HD1 HIS A 63 0.128 10.017 2.450 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.979 9.779 4.125 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.254 12.282 2.097 1.00 0.00 H new ATOM 901 N PHE A 64 -1.043 6.129 4.174 1.00 0.00 N ATOM 902 CA PHE A 64 -1.609 4.774 4.215 1.00 0.00 C ATOM 903 C PHE A 64 -1.604 4.151 2.821 1.00 0.00 C ATOM 904 O PHE A 64 -2.008 4.795 1.850 1.00 0.00 O ATOM 905 CB PHE A 64 -3.051 4.828 4.737 1.00 0.00 C ATOM 906 CG PHE A 64 -3.063 5.309 6.170 1.00 0.00 C ATOM 907 CD1 PHE A 64 -2.994 6.679 6.445 1.00 0.00 C ATOM 908 CD2 PHE A 64 -3.156 4.389 7.220 1.00 0.00 C ATOM 909 CE1 PHE A 64 -3.014 7.128 7.768 1.00 0.00 C ATOM 910 CE2 PHE A 64 -3.175 4.839 8.545 1.00 0.00 C ATOM 911 CZ PHE A 64 -3.104 6.209 8.819 1.00 0.00 C ATOM 0 H PHE A 64 -1.502 6.752 3.510 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.998 4.165 4.881 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.647 5.496 4.115 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.507 3.840 4.672 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.925 7.390 5.635 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -3.213 3.332 7.008 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.960 8.186 7.980 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.244 4.129 9.356 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.119 6.557 9.841 1.00 0.00 H new ATOM 921 N THR A 65 -1.166 2.883 2.728 1.00 0.00 N ATOM 922 CA THR A 65 -1.146 2.175 1.439 1.00 0.00 C ATOM 923 C THR A 65 -1.730 0.766 1.567 1.00 0.00 C ATOM 924 O THR A 65 -1.342 0.001 2.453 1.00 0.00 O ATOM 925 CB THR A 65 0.288 2.093 0.899 1.00 0.00 C ATOM 926 OG1 THR A 65 1.118 1.443 1.854 1.00 0.00 O ATOM 927 CG2 THR A 65 0.825 3.503 0.627 1.00 0.00 C ATOM 0 H THR A 65 -0.826 2.335 3.518 1.00 0.00 H new ATOM 0 HA THR A 65 -1.765 2.740 0.742 1.00 0.00 H new ATOM 0 HB THR A 65 0.289 1.525 -0.031 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.825 1.681 2.758 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.843 3.437 0.244 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.192 3.998 -0.109 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.822 4.078 1.553 1.00 0.00 H new ATOM 935 N CYS A 66 -2.624 0.417 0.633 1.00 0.00 N ATOM 936 CA CYS A 66 -3.229 -0.922 0.586 1.00 0.00 C ATOM 937 C CYS A 66 -3.143 -1.494 -0.833 1.00 0.00 C ATOM 938 O CYS A 66 -3.428 -0.790 -1.806 1.00 0.00 O ATOM 939 CB CYS A 66 -4.692 -0.876 1.057 1.00 0.00 C ATOM 940 SG CYS A 66 -4.753 -0.439 2.825 1.00 0.00 S ATOM 0 H CYS A 66 -2.946 1.045 -0.103 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.674 -1.573 1.261 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.250 -0.145 0.472 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.167 -1.843 0.895 1.00 0.00 H new ATOM 945 N THR A 67 -2.708 -2.761 -0.947 1.00 0.00 N ATOM 946 CA THR A 67 -2.539 -3.403 -2.266 1.00 0.00 C ATOM 947 C THR A 67 -3.233 -4.771 -2.322 1.00 0.00 C ATOM 948 O THR A 67 -3.202 -5.539 -1.357 1.00 0.00 O ATOM 949 CB THR A 67 -1.043 -3.530 -2.596 1.00 0.00 C ATOM 950 OG1 THR A 67 -0.441 -2.244 -2.516 1.00 0.00 O ATOM 951 CG2 THR A 67 -0.839 -4.086 -4.019 1.00 0.00 C ATOM 0 H THR A 67 -2.469 -3.356 -0.154 1.00 0.00 H new ATOM 0 HA THR A 67 -3.015 -2.772 -3.017 1.00 0.00 H new ATOM 0 HB THR A 67 -0.586 -4.215 -1.882 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.514 -2.316 -2.724 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.228 -4.167 -4.229 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.299 -5.071 -4.094 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.301 -3.414 -4.742 1.00 0.00 H new ATOM 959 N ILE A 68 -3.908 -5.027 -3.450 1.00 0.00 N ATOM 960 CA ILE A 68 -4.685 -6.270 -3.638 1.00 0.00 C ATOM 961 C ILE A 68 -4.366 -6.927 -4.988 1.00 0.00 C ATOM 962 O ILE A 68 -4.572 -6.318 -6.039 1.00 0.00 O ATOM 963 CB ILE A 68 -6.222 -5.970 -3.586 1.00 0.00 C ATOM 964 CG1 ILE A 68 -6.549 -4.875 -2.506 1.00 0.00 C ATOM 965 CG2 ILE A 68 -7.004 -7.268 -3.283 1.00 0.00 C ATOM 966 CD1 ILE A 68 -6.491 -3.476 -3.146 1.00 0.00 C ATOM 0 H ILE A 68 -3.935 -4.393 -4.249 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.407 -6.948 -2.831 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.528 -5.586 -4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.539 -5.051 -2.085 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.836 -4.938 -1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.071 -7.050 -3.249 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.808 -8.002 -4.065 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.685 -7.669 -2.321 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.718 -2.722 -2.393 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.492 -3.300 -3.546 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.221 -3.415 -3.953 1.00 0.00 H new ATOM 978 N TRP A 69 -3.919 -8.193 -4.952 1.00 0.00 N ATOM 979 CA TRP A 69 -3.638 -8.952 -6.193 1.00 0.00 C ATOM 980 C TRP A 69 -3.700 -10.470 -5.933 1.00 0.00 C ATOM 981 O TRP A 69 -3.650 -10.903 -4.778 1.00 0.00 O ATOM 982 CB TRP A 69 -2.258 -8.544 -6.780 1.00 0.00 C ATOM 983 CG TRP A 69 -1.136 -9.014 -5.892 1.00 0.00 C ATOM 984 CD1 TRP A 69 -0.376 -10.110 -6.121 1.00 0.00 C ATOM 985 CD2 TRP A 69 -0.670 -8.450 -4.643 1.00 0.00 C ATOM 986 NE1 TRP A 69 0.541 -10.238 -5.097 1.00 0.00 N ATOM 987 CE2 TRP A 69 0.397 -9.241 -4.159 1.00 0.00 C ATOM 988 CE3 TRP A 69 -1.063 -7.335 -3.891 1.00 0.00 C ATOM 989 CZ2 TRP A 69 1.053 -8.937 -2.972 1.00 0.00 C ATOM 990 CZ3 TRP A 69 -0.405 -7.023 -2.687 1.00 0.00 C ATOM 991 CH2 TRP A 69 0.652 -7.828 -2.231 1.00 0.00 C ATOM 0 H TRP A 69 -3.745 -8.712 -4.091 1.00 0.00 H new ATOM 0 HA TRP A 69 -4.406 -8.707 -6.927 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -2.142 -8.971 -7.776 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -2.211 -7.461 -6.890 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -0.471 -10.775 -6.966 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.239 -10.980 -5.042 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.875 -6.712 -4.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 1.868 -9.556 -2.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.713 -6.162 -2.112 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.154 -7.587 -1.306 1.00 0.00 H new ATOM 1002 N ARG A 70 -3.776 -11.265 -7.013 1.00 0.00 N ATOM 1003 CA ARG A 70 -3.806 -12.729 -6.880 1.00 0.00 C ATOM 1004 C ARG A 70 -2.350 -13.302 -6.754 1.00 0.00 C ATOM 1005 O ARG A 70 -1.404 -12.670 -7.228 1.00 0.00 O ATOM 1006 CB ARG A 70 -4.551 -13.367 -8.079 1.00 0.00 C ATOM 1007 CG ARG A 70 -3.704 -13.257 -9.349 1.00 0.00 C ATOM 1008 CD ARG A 70 -4.487 -13.779 -10.540 1.00 0.00 C ATOM 1009 NE ARG A 70 -5.613 -12.883 -10.825 1.00 0.00 N ATOM 1010 CZ ARG A 70 -5.474 -11.721 -11.514 1.00 0.00 C ATOM 1011 NH1 ARG A 70 -4.305 -11.332 -11.985 1.00 0.00 N ATOM 1012 NH2 ARG A 70 -6.515 -10.975 -11.710 1.00 0.00 N ATOM 0 H ARG A 70 -3.817 -10.924 -7.974 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.348 -12.983 -5.969 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.766 -14.414 -7.867 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -5.509 -12.868 -8.228 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.419 -12.219 -9.517 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.782 -13.826 -9.232 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.837 -13.850 -11.412 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.854 -14.785 -10.334 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.541 -13.144 -10.491 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -3.477 -11.909 -11.835 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.229 -10.454 -12.499 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.424 -11.263 -11.348 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.425 -10.100 -12.226 1.00 0.00 H new ATOM 1026 N PRO A 71 -2.163 -14.487 -6.147 1.00 0.00 N ATOM 1027 CA PRO A 71 -0.802 -15.117 -5.998 1.00 0.00 C ATOM 1028 C PRO A 71 -0.322 -15.875 -7.257 1.00 0.00 C ATOM 1029 O PRO A 71 0.870 -15.859 -7.579 1.00 0.00 O ATOM 1030 CB PRO A 71 -1.026 -16.097 -4.866 1.00 0.00 C ATOM 1031 CG PRO A 71 -2.428 -16.561 -5.073 1.00 0.00 C ATOM 1032 CD PRO A 71 -3.209 -15.347 -5.534 1.00 0.00 C ATOM 0 HA PRO A 71 -0.030 -14.367 -5.825 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -0.319 -16.926 -4.908 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.901 -15.621 -3.893 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.469 -17.356 -5.817 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.845 -16.965 -4.151 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -3.983 -15.615 -6.253 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.706 -14.847 -4.702 1.00 0.00 H new ATOM 1040 N GLN A 72 -1.248 -16.584 -7.920 1.00 0.00 N ATOM 1041 CA GLN A 72 -0.911 -17.410 -9.098 1.00 0.00 C ATOM 1042 C GLN A 72 -0.411 -16.565 -10.258 1.00 0.00 C ATOM 1043 O GLN A 72 0.488 -16.974 -10.999 1.00 0.00 O ATOM 1044 CB GLN A 72 -2.132 -18.225 -9.542 1.00 0.00 C ATOM 1045 CG GLN A 72 -2.432 -19.316 -8.505 1.00 0.00 C ATOM 1046 CD GLN A 72 -3.770 -20.000 -8.813 1.00 0.00 C ATOM 1047 OE1 GLN A 72 -4.682 -19.378 -9.366 1.00 0.00 O ATOM 1048 NE2 GLN A 72 -3.945 -21.252 -8.483 1.00 0.00 N ATOM 0 H GLN A 72 -2.235 -16.605 -7.664 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.107 -18.085 -8.803 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.996 -17.570 -9.656 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.945 -18.677 -10.516 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -1.631 -20.055 -8.505 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.462 -18.878 -7.507 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -3.194 -21.769 -8.026 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -4.833 -21.713 -8.682 1.00 0.00 H new ATOM 1057 N GLY A 73 -1.035 -15.417 -10.433 1.00 0.00 N ATOM 1058 CA GLY A 73 -0.720 -14.507 -11.532 1.00 0.00 C ATOM 1059 C GLY A 73 -1.792 -14.565 -12.632 1.00 0.00 C ATOM 1060 O GLY A 73 -1.864 -13.663 -13.473 1.00 0.00 O ATOM 0 H GLY A 73 -1.778 -15.082 -9.819 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.641 -13.488 -11.152 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.251 -14.766 -11.954 1.00 0.00 H new ATOM 1064 N LYS A 74 -2.638 -15.621 -12.610 1.00 0.00 N ATOM 1065 CA LYS A 74 -3.710 -15.757 -13.601 1.00 0.00 C ATOM 1066 C LYS A 74 -4.999 -16.286 -12.960 1.00 0.00 C ATOM 1067 O LYS A 74 -5.030 -17.406 -12.439 1.00 0.00 O ATOM 1068 CB LYS A 74 -3.280 -16.702 -14.745 1.00 0.00 C ATOM 1069 CG LYS A 74 -1.899 -16.277 -15.303 1.00 0.00 C ATOM 1070 CD LYS A 74 -1.706 -16.837 -16.719 1.00 0.00 C ATOM 1071 CE LYS A 74 -2.533 -16.014 -17.708 1.00 0.00 C ATOM 1072 NZ LYS A 74 -2.167 -16.394 -19.101 1.00 0.00 N ATOM 0 H LYS A 74 -2.594 -16.376 -11.925 1.00 0.00 H new ATOM 0 HA LYS A 74 -3.904 -14.764 -14.007 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -3.232 -17.728 -14.380 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.024 -16.682 -15.542 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.824 -15.190 -15.320 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.106 -16.640 -14.649 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -0.652 -16.805 -16.994 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.012 -17.882 -16.753 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.596 -16.186 -17.541 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.354 -14.950 -17.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.730 -15.834 -19.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.156 -16.208 -19.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.360 -17.406 -19.247 1.00 0.00 H new ATOM 1086 N SER A 75 -6.073 -15.496 -13.064 1.00 0.00 N ATOM 1087 CA SER A 75 -7.395 -15.896 -12.561 1.00 0.00 C ATOM 1088 C SER A 75 -8.392 -15.975 -13.713 1.00 0.00 C ATOM 1089 O SER A 75 -8.441 -15.074 -14.552 1.00 0.00 O ATOM 1090 CB SER A 75 -7.893 -14.891 -11.512 1.00 0.00 C ATOM 1091 OG SER A 75 -7.114 -15.016 -10.331 1.00 0.00 O ATOM 0 H SER A 75 -6.054 -14.571 -13.494 1.00 0.00 H new ATOM 0 HA SER A 75 -7.307 -16.878 -12.096 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.821 -13.876 -11.902 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.944 -15.073 -11.288 1.00 0.00 H new ATOM 0 HG SER A 75 -6.672 -15.891 -10.322 1.00 0.00 H new ATOM 1097 N TYR A 76 -9.201 -17.050 -13.746 1.00 0.00 N ATOM 1098 CA TYR A 76 -10.205 -17.207 -14.810 1.00 0.00 C ATOM 1099 C TYR A 76 -11.624 -17.104 -14.244 1.00 0.00 C ATOM 1100 O TYR A 76 -12.266 -18.115 -13.928 1.00 0.00 O ATOM 1101 CB TYR A 76 -10.011 -18.554 -15.525 1.00 0.00 C ATOM 1102 CG TYR A 76 -8.677 -18.562 -16.233 1.00 0.00 C ATOM 1103 CD1 TYR A 76 -7.533 -19.018 -15.567 1.00 0.00 C ATOM 1104 CD2 TYR A 76 -8.583 -18.113 -17.555 1.00 0.00 C ATOM 1105 CE1 TYR A 76 -6.296 -19.025 -16.222 1.00 0.00 C ATOM 1106 CE2 TYR A 76 -7.347 -18.119 -18.212 1.00 0.00 C ATOM 1107 CZ TYR A 76 -6.203 -18.574 -17.545 1.00 0.00 C ATOM 1108 OH TYR A 76 -4.983 -18.581 -18.191 1.00 0.00 O ATOM 0 H TYR A 76 -9.180 -17.807 -13.063 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.069 -16.401 -15.531 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.057 -19.370 -14.804 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.816 -18.716 -16.242 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -7.605 -19.365 -14.547 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -9.465 -17.761 -18.069 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -5.414 -19.378 -15.708 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.276 -17.773 -19.233 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.093 -18.238 -19.102 1.00 0.00 H new ATOM 1118 N LEU A 77 -12.110 -15.867 -14.154 1.00 0.00 N ATOM 1119 CA LEU A 77 -13.460 -15.586 -13.677 1.00 0.00 C ATOM 1120 C LEU A 77 -14.067 -14.427 -14.456 1.00 0.00 C ATOM 1121 O LEU A 77 -13.346 -13.507 -14.862 1.00 0.00 O ATOM 1122 CB LEU A 77 -13.446 -15.260 -12.179 1.00 0.00 C ATOM 1123 CG LEU A 77 -13.123 -16.520 -11.354 1.00 0.00 C ATOM 1124 CD1 LEU A 77 -12.785 -16.108 -9.921 1.00 0.00 C ATOM 1125 CD2 LEU A 77 -14.347 -17.454 -11.317 1.00 0.00 C ATOM 0 H LEU A 77 -11.579 -15.034 -14.409 1.00 0.00 H new ATOM 0 HA LEU A 77 -14.070 -16.475 -13.835 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.706 -14.486 -11.976 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.415 -14.861 -11.879 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.280 -17.038 -11.812 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.555 -16.996 -9.332 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.921 -15.443 -9.928 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.637 -15.591 -9.481 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -14.109 -18.342 -10.732 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.189 -16.933 -10.861 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.611 -17.749 -12.333 1.00 0.00 H new ATOM 1137 N TYR A 78 -15.395 -14.435 -14.603 1.00 0.00 N ATOM 1138 CA TYR A 78 -16.092 -13.334 -15.264 1.00 0.00 C ATOM 1139 C TYR A 78 -16.566 -12.348 -14.205 1.00 0.00 C ATOM 1140 O TYR A 78 -17.590 -12.567 -13.559 1.00 0.00 O ATOM 1141 CB TYR A 78 -17.286 -13.870 -16.067 1.00 0.00 C ATOM 1142 CG TYR A 78 -17.880 -12.760 -16.908 1.00 0.00 C ATOM 1143 CD1 TYR A 78 -17.313 -12.442 -18.149 1.00 0.00 C ATOM 1144 CD2 TYR A 78 -18.996 -12.051 -16.446 1.00 0.00 C ATOM 1145 CE1 TYR A 78 -17.861 -11.415 -18.927 1.00 0.00 C ATOM 1146 CE2 TYR A 78 -19.544 -11.025 -17.224 1.00 0.00 C ATOM 1147 CZ TYR A 78 -18.977 -10.707 -18.464 1.00 0.00 C ATOM 1148 OH TYR A 78 -19.517 -9.695 -19.232 1.00 0.00 O ATOM 0 H TYR A 78 -16.003 -15.186 -14.275 1.00 0.00 H new ATOM 0 HA TYR A 78 -15.416 -12.831 -15.955 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -16.965 -14.692 -16.707 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -18.041 -14.269 -15.390 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -16.453 -12.989 -18.506 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -19.434 -12.296 -15.489 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -17.423 -11.169 -19.883 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -20.405 -10.478 -16.868 1.00 0.00 H new ATOM 0 HH TYR A 78 -20.287 -9.307 -18.767 1.00 0.00 H new ATOM 1158 N PHE A 79 -15.779 -11.286 -14.002 1.00 0.00 N ATOM 1159 CA PHE A 79 -16.073 -10.291 -12.971 1.00 0.00 C ATOM 1160 C PHE A 79 -17.109 -9.288 -13.445 1.00 0.00 C ATOM 1161 O PHE A 79 -17.014 -8.770 -14.557 1.00 0.00 O ATOM 1162 CB PHE A 79 -14.795 -9.542 -12.578 1.00 0.00 C ATOM 1163 CG PHE A 79 -13.843 -10.477 -11.872 1.00 0.00 C ATOM 1164 CD1 PHE A 79 -12.851 -11.147 -12.598 1.00 0.00 C ATOM 1165 CD2 PHE A 79 -13.948 -10.670 -10.490 1.00 0.00 C ATOM 1166 CE1 PHE A 79 -11.964 -12.007 -11.942 1.00 0.00 C ATOM 1167 CE2 PHE A 79 -13.063 -11.532 -9.834 1.00 0.00 C ATOM 1168 CZ PHE A 79 -12.071 -12.201 -10.560 1.00 0.00 C ATOM 0 H PHE A 79 -14.933 -11.095 -14.540 1.00 0.00 H new ATOM 0 HA PHE A 79 -16.473 -10.823 -12.108 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -14.319 -9.128 -13.467 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -15.041 -8.702 -11.928 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.771 -11.000 -13.665 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -14.713 -10.153 -9.930 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -11.197 -12.521 -12.502 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -13.145 -11.681 -8.768 1.00 0.00 H new ATOM 0 HZ PHE A 79 -11.388 -12.867 -10.054 1.00 0.00 H new ATOM 1178 N THR A 80 -18.076 -8.988 -12.568 1.00 0.00 N ATOM 1179 CA THR A 80 -19.100 -7.990 -12.874 1.00 0.00 C ATOM 1180 C THR A 80 -18.484 -6.587 -12.801 1.00 0.00 C ATOM 1181 O THR A 80 -18.728 -5.749 -13.662 1.00 0.00 O ATOM 1182 CB THR A 80 -20.280 -8.123 -11.888 1.00 0.00 C ATOM 1183 OG1 THR A 80 -20.813 -9.439 -11.974 1.00 0.00 O ATOM 1184 CG2 THR A 80 -21.387 -7.112 -12.236 1.00 0.00 C ATOM 0 H THR A 80 -18.168 -9.420 -11.649 1.00 0.00 H new ATOM 0 HA THR A 80 -19.480 -8.154 -13.882 1.00 0.00 H new ATOM 0 HB THR A 80 -19.921 -7.924 -10.878 1.00 0.00 H new ATOM 0 HG1 THR A 80 -21.562 -9.530 -11.349 1.00 0.00 H new ATOM 0 HG21 THR A 80 -22.212 -7.219 -11.531 1.00 0.00 H new ATOM 0 HG22 THR A 80 -20.987 -6.100 -12.176 1.00 0.00 H new ATOM 0 HG23 THR A 80 -21.747 -7.301 -13.247 1.00 0.00 H new ATOM 1192 N GLN A 81 -17.658 -6.365 -11.769 1.00 0.00 N ATOM 1193 CA GLN A 81 -16.948 -5.090 -11.569 1.00 0.00 C ATOM 1194 C GLN A 81 -16.174 -5.119 -10.260 1.00 0.00 C ATOM 1195 O GLN A 81 -16.339 -6.046 -9.457 1.00 0.00 O ATOM 1196 CB GLN A 81 -17.909 -3.876 -11.601 1.00 0.00 C ATOM 1197 CG GLN A 81 -19.011 -4.041 -10.549 1.00 0.00 C ATOM 1198 CD GLN A 81 -20.033 -2.918 -10.691 1.00 0.00 C ATOM 1199 OE1 GLN A 81 -19.674 -1.742 -10.663 1.00 0.00 O ATOM 1200 NE2 GLN A 81 -21.295 -3.211 -10.844 1.00 0.00 N ATOM 0 H GLN A 81 -17.462 -7.061 -11.050 1.00 0.00 H new ATOM 0 HA GLN A 81 -16.250 -4.971 -12.397 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.352 -2.958 -11.413 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.354 -3.782 -12.592 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -19.500 -5.008 -10.670 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -18.577 -4.026 -9.549 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -21.593 -4.186 -10.867 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -21.984 -2.465 -10.940 1.00 0.00 H new ATOM 1209 N PHE A 82 -15.328 -4.108 -10.048 1.00 0.00 N ATOM 1210 CA PHE A 82 -14.525 -4.026 -8.824 1.00 0.00 C ATOM 1211 C PHE A 82 -14.426 -2.606 -8.325 1.00 0.00 C ATOM 1212 O PHE A 82 -14.420 -1.663 -9.124 1.00 0.00 O ATOM 1213 CB PHE A 82 -13.123 -4.582 -9.070 1.00 0.00 C ATOM 1214 CG PHE A 82 -12.423 -3.805 -10.180 1.00 0.00 C ATOM 1215 CD1 PHE A 82 -11.672 -2.668 -9.867 1.00 0.00 C ATOM 1216 CD2 PHE A 82 -12.540 -4.224 -11.511 1.00 0.00 C ATOM 1217 CE1 PHE A 82 -11.039 -1.946 -10.885 1.00 0.00 C ATOM 1218 CE2 PHE A 82 -11.905 -3.503 -12.529 1.00 0.00 C ATOM 1219 CZ PHE A 82 -11.154 -2.364 -12.215 1.00 0.00 C ATOM 0 H PHE A 82 -15.181 -3.339 -10.702 1.00 0.00 H new ATOM 0 HA PHE A 82 -15.024 -4.624 -8.062 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -12.537 -4.524 -8.153 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.187 -5.636 -9.341 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -11.580 -2.347 -8.840 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -13.120 -5.103 -11.752 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.462 -1.066 -10.644 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.994 -3.825 -13.556 1.00 0.00 H new ATOM 0 HZ PHE A 82 -10.663 -1.808 -13.000 1.00 0.00 H new ATOM 1229 N LYS A 83 -14.350 -2.452 -6.996 1.00 0.00 N ATOM 1230 CA LYS A 83 -14.272 -1.123 -6.399 1.00 0.00 C ATOM 1231 C LYS A 83 -13.414 -1.138 -5.136 1.00 0.00 C ATOM 1232 O LYS A 83 -13.352 -2.152 -4.430 1.00 0.00 O ATOM 1233 CB LYS A 83 -15.686 -0.597 -6.081 1.00 0.00 C ATOM 1234 CG LYS A 83 -16.552 -0.678 -7.352 1.00 0.00 C ATOM 1235 CD LYS A 83 -17.855 0.090 -7.154 1.00 0.00 C ATOM 1236 CE LYS A 83 -18.703 -0.048 -8.417 1.00 0.00 C ATOM 1237 NZ LYS A 83 -19.965 0.730 -8.260 1.00 0.00 N ATOM 0 H LYS A 83 -14.341 -3.222 -6.327 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.801 -0.454 -7.119 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -16.135 -1.186 -5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -15.633 0.433 -5.727 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -16.005 -0.267 -8.200 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.768 -1.720 -7.587 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.396 -0.300 -6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -17.647 1.141 -6.952 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -18.147 0.313 -9.282 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -18.932 -1.098 -8.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -20.238 1.137 -9.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -20.721 0.101 -7.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -19.818 1.495 -7.571 1.00 0.00 H new ATOM 1251 N ALA A 84 -12.776 0.001 -4.845 1.00 0.00 N ATOM 1252 CA ALA A 84 -11.942 0.140 -3.652 1.00 0.00 C ATOM 1253 C ALA A 84 -12.091 1.536 -3.063 1.00 0.00 C ATOM 1254 O ALA A 84 -12.184 2.518 -3.802 1.00 0.00 O ATOM 1255 CB ALA A 84 -10.476 -0.124 -3.999 1.00 0.00 C ATOM 0 H ALA A 84 -12.823 0.840 -5.423 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.269 -0.591 -2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.865 -0.017 -3.103 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.371 -1.136 -4.391 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -10.145 0.593 -4.751 1.00 0.00 H new ATOM 1261 N GLU A 85 -12.126 1.614 -1.728 1.00 0.00 N ATOM 1262 CA GLU A 85 -12.283 2.894 -1.037 1.00 0.00 C ATOM 1263 C GLU A 85 -11.676 2.826 0.365 1.00 0.00 C ATOM 1264 O GLU A 85 -11.300 1.756 0.821 1.00 0.00 O ATOM 1265 CB GLU A 85 -13.778 3.284 -0.977 1.00 0.00 C ATOM 1266 CG GLU A 85 -14.579 2.220 -0.203 1.00 0.00 C ATOM 1267 CD GLU A 85 -16.059 2.598 -0.162 1.00 0.00 C ATOM 1268 OE1 GLU A 85 -16.350 3.758 0.085 1.00 0.00 O ATOM 1269 OE2 GLU A 85 -16.879 1.721 -0.379 1.00 0.00 O ATOM 0 H GLU A 85 -12.048 0.808 -1.108 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.749 3.664 -1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -13.888 4.255 -0.493 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.175 3.384 -1.987 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.458 1.247 -0.678 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.191 2.130 0.812 1.00 0.00 H new ATOM 1276 N VAL A 86 -11.567 3.982 1.030 1.00 0.00 N ATOM 1277 CA VAL A 86 -10.986 4.048 2.386 1.00 0.00 C ATOM 1278 C VAL A 86 -11.899 4.810 3.340 1.00 0.00 C ATOM 1279 O VAL A 86 -12.758 5.579 2.904 1.00 0.00 O ATOM 1280 CB VAL A 86 -9.597 4.711 2.358 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -8.638 3.855 1.529 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -9.685 6.117 1.737 1.00 0.00 C ATOM 0 H VAL A 86 -11.870 4.882 0.658 1.00 0.00 H new ATOM 0 HA VAL A 86 -10.882 3.024 2.745 1.00 0.00 H new ATOM 0 HB VAL A 86 -9.230 4.796 3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.655 4.325 1.510 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.557 2.864 1.975 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -9.017 3.766 0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.695 6.572 1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -10.062 6.041 0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -10.361 6.735 2.329 1.00 0.00 H new ATOM 1292 N ARG A 87 -11.698 4.594 4.651 1.00 0.00 N ATOM 1293 CA ARG A 87 -12.505 5.278 5.673 1.00 0.00 C ATOM 1294 C ARG A 87 -11.624 5.975 6.697 1.00 0.00 C ATOM 1295 O ARG A 87 -10.577 5.448 7.097 1.00 0.00 O ATOM 1296 CB ARG A 87 -13.425 4.286 6.396 1.00 0.00 C ATOM 1297 CG ARG A 87 -14.379 3.606 5.399 1.00 0.00 C ATOM 1298 CD ARG A 87 -15.478 4.583 4.986 1.00 0.00 C ATOM 1299 NE ARG A 87 -16.360 4.872 6.134 1.00 0.00 N ATOM 1300 CZ ARG A 87 -17.275 5.877 6.137 1.00 0.00 C ATOM 1301 NH1 ARG A 87 -17.423 6.672 5.097 1.00 0.00 N ATOM 1302 NH2 ARG A 87 -18.020 6.058 7.193 1.00 0.00 N ATOM 0 H ARG A 87 -10.992 3.959 5.024 1.00 0.00 H new ATOM 0 HA ARG A 87 -13.109 6.025 5.158 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.826 3.532 6.906 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -14.001 4.807 7.161 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -13.826 3.274 4.520 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -14.820 2.718 5.852 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -15.033 5.508 4.618 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -16.061 4.161 4.167 1.00 0.00 H new ATOM 0 HE ARG A 87 -16.279 4.288 6.967 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -16.844 6.540 4.267 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -18.116 7.420 5.121 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -17.912 5.449 8.004 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -18.710 6.809 7.208 1.00 0.00 H new ATOM 1316 N GLY A 88 -12.075 7.156 7.133 1.00 0.00 N ATOM 1317 CA GLY A 88 -11.354 7.944 8.135 1.00 0.00 C ATOM 1318 C GLY A 88 -10.136 8.673 7.542 1.00 0.00 C ATOM 1319 O GLY A 88 -9.323 9.228 8.288 1.00 0.00 O ATOM 0 H GLY A 88 -12.939 7.587 6.805 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -12.032 8.675 8.576 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.025 7.288 8.941 1.00 0.00 H new ATOM 1323 N ALA A 89 -10.010 8.657 6.205 1.00 0.00 N ATOM 1324 CA ALA A 89 -8.886 9.301 5.527 1.00 0.00 C ATOM 1325 C ALA A 89 -9.264 9.696 4.108 1.00 0.00 C ATOM 1326 O ALA A 89 -10.303 9.271 3.592 1.00 0.00 O ATOM 1327 CB ALA A 89 -7.678 8.364 5.500 1.00 0.00 C ATOM 0 H ALA A 89 -10.675 8.204 5.578 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.628 10.203 6.081 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.848 8.855 4.992 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.385 8.118 6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.939 7.449 4.967 1.00 0.00 H new ATOM 1333 N GLU A 90 -8.404 10.499 3.478 1.00 0.00 N ATOM 1334 CA GLU A 90 -8.628 10.945 2.104 1.00 0.00 C ATOM 1335 C GLU A 90 -7.722 10.175 1.151 1.00 0.00 C ATOM 1336 O GLU A 90 -6.630 9.752 1.532 1.00 0.00 O ATOM 1337 CB GLU A 90 -8.372 12.463 1.976 1.00 0.00 C ATOM 1338 CG GLU A 90 -6.926 12.806 2.405 1.00 0.00 C ATOM 1339 CD GLU A 90 -6.656 14.310 2.258 1.00 0.00 C ATOM 1340 OE1 GLU A 90 -7.575 15.092 2.466 1.00 0.00 O ATOM 1341 OE2 GLU A 90 -5.530 14.656 1.938 1.00 0.00 O ATOM 0 H GLU A 90 -7.545 10.853 3.899 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.667 10.749 1.840 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.537 12.780 0.946 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.081 13.011 2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.767 12.503 3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -6.218 12.244 1.796 1.00 0.00 H new ATOM 1348 N ILE A 91 -8.198 9.971 -0.077 1.00 0.00 N ATOM 1349 CA ILE A 91 -7.441 9.218 -1.081 1.00 0.00 C ATOM 1350 C ILE A 91 -6.509 10.151 -1.855 1.00 0.00 C ATOM 1351 O ILE A 91 -6.959 11.123 -2.470 1.00 0.00 O ATOM 1352 CB ILE A 91 -8.415 8.484 -2.049 1.00 0.00 C ATOM 1353 CG1 ILE A 91 -9.313 7.519 -1.238 1.00 0.00 C ATOM 1354 CG2 ILE A 91 -7.610 7.670 -3.091 1.00 0.00 C ATOM 1355 CD1 ILE A 91 -10.484 7.027 -2.106 1.00 0.00 C ATOM 0 H ILE A 91 -9.102 10.315 -0.402 1.00 0.00 H new ATOM 0 HA ILE A 91 -6.831 8.471 -0.574 1.00 0.00 H new ATOM 0 HB ILE A 91 -9.030 9.222 -2.563 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.726 6.669 -0.891 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -9.695 8.025 -0.352 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.298 7.159 -3.764 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -6.973 8.343 -3.665 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -6.991 6.934 -2.578 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -11.108 6.349 -1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -11.080 7.880 -2.431 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -10.095 6.503 -2.979 1.00 0.00 H new ATOM 1367 N GLU A 92 -5.213 9.818 -1.847 1.00 0.00 N ATOM 1368 CA GLU A 92 -4.213 10.594 -2.580 1.00 0.00 C ATOM 1369 C GLU A 92 -4.194 10.167 -4.039 1.00 0.00 C ATOM 1370 O GLU A 92 -4.121 11.006 -4.942 1.00 0.00 O ATOM 1371 CB GLU A 92 -2.822 10.380 -1.977 1.00 0.00 C ATOM 1372 CG GLU A 92 -2.793 10.872 -0.529 1.00 0.00 C ATOM 1373 CD GLU A 92 -1.402 10.663 0.060 1.00 0.00 C ATOM 1374 OE1 GLU A 92 -0.459 11.207 -0.490 1.00 0.00 O ATOM 1375 OE2 GLU A 92 -1.301 9.958 1.052 1.00 0.00 O ATOM 0 H GLU A 92 -4.835 9.017 -1.341 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.476 11.649 -2.508 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.560 9.323 -2.015 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.076 10.915 -2.565 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.060 11.928 -0.489 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.533 10.333 0.063 1.00 0.00 H new ATOM 1382 N TYR A 93 -4.285 8.848 -4.260 1.00 0.00 N ATOM 1383 CA TYR A 93 -4.307 8.290 -5.604 1.00 0.00 C ATOM 1384 C TYR A 93 -4.639 6.803 -5.560 1.00 0.00 C ATOM 1385 O TYR A 93 -4.204 6.088 -4.649 1.00 0.00 O ATOM 1386 CB TYR A 93 -2.953 8.494 -6.294 1.00 0.00 C ATOM 1387 CG TYR A 93 -3.135 8.428 -7.799 1.00 0.00 C ATOM 1388 CD1 TYR A 93 -3.206 9.611 -8.547 1.00 0.00 C ATOM 1389 CD2 TYR A 93 -3.250 7.192 -8.438 1.00 0.00 C ATOM 1390 CE1 TYR A 93 -3.390 9.554 -9.933 1.00 0.00 C ATOM 1391 CE2 TYR A 93 -3.432 7.137 -9.824 1.00 0.00 C ATOM 1392 CZ TYR A 93 -3.502 8.316 -10.571 1.00 0.00 C ATOM 1393 OH TYR A 93 -3.681 8.256 -11.938 1.00 0.00 O ATOM 0 H TYR A 93 -4.344 8.152 -3.517 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.078 8.810 -6.173 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -2.530 9.458 -6.010 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.248 7.729 -5.969 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.119 10.568 -8.053 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.199 6.279 -7.863 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.445 10.466 -10.509 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -3.519 6.181 -10.318 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.738 7.319 -12.220 1.00 0.00 H new ATOM 1403 N ALA A 94 -5.389 6.340 -6.559 1.00 0.00 N ATOM 1404 CA ALA A 94 -5.762 4.933 -6.660 1.00 0.00 C ATOM 1405 C ALA A 94 -5.773 4.492 -8.117 1.00 0.00 C ATOM 1406 O ALA A 94 -6.224 5.236 -8.994 1.00 0.00 O ATOM 1407 CB ALA A 94 -7.142 4.709 -6.042 1.00 0.00 C ATOM 0 H ALA A 94 -5.751 6.924 -7.313 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.027 4.340 -6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -7.410 3.656 -6.123 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -7.122 4.999 -4.991 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.880 5.313 -6.570 1.00 0.00 H new ATOM 1413 N MET A 95 -5.288 3.273 -8.363 1.00 0.00 N ATOM 1414 CA MET A 95 -5.251 2.715 -9.712 1.00 0.00 C ATOM 1415 C MET A 95 -5.218 1.191 -9.677 1.00 0.00 C ATOM 1416 O MET A 95 -5.070 0.584 -8.612 1.00 0.00 O ATOM 1417 CB MET A 95 -4.045 3.262 -10.511 1.00 0.00 C ATOM 1418 CG MET A 95 -2.725 2.867 -9.833 1.00 0.00 C ATOM 1419 SD MET A 95 -1.343 3.194 -10.961 1.00 0.00 S ATOM 1420 CE MET A 95 -1.433 4.996 -10.935 1.00 0.00 C ATOM 0 H MET A 95 -4.915 2.654 -7.643 1.00 0.00 H new ATOM 0 HA MET A 95 -6.165 3.026 -10.218 1.00 0.00 H new ATOM 0 HB2 MET A 95 -4.069 2.872 -11.529 1.00 0.00 H new ATOM 0 HB3 MET A 95 -4.112 4.347 -10.584 1.00 0.00 H new ATOM 0 HG2 MET A 95 -2.595 3.431 -8.909 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.745 1.811 -9.562 1.00 0.00 H new ATOM 0 HE1 MET A 95 -0.514 5.412 -11.348 1.00 0.00 H new ATOM 0 HE2 MET A 95 -2.282 5.327 -11.533 1.00 0.00 H new ATOM 0 HE3 MET A 95 -1.557 5.339 -9.908 1.00 0.00 H new ATOM 1430 N ALA A 96 -5.347 0.591 -10.854 1.00 0.00 N ATOM 1431 CA ALA A 96 -5.323 -0.859 -10.996 1.00 0.00 C ATOM 1432 C ALA A 96 -4.424 -1.242 -12.162 1.00 0.00 C ATOM 1433 O ALA A 96 -4.311 -0.487 -13.128 1.00 0.00 O ATOM 1434 CB ALA A 96 -6.739 -1.376 -11.243 1.00 0.00 C ATOM 0 H ALA A 96 -5.471 1.093 -11.733 1.00 0.00 H new ATOM 0 HA ALA A 96 -4.934 -1.305 -10.081 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.717 -2.461 -11.349 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.377 -1.106 -10.401 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -7.135 -0.930 -12.156 1.00 0.00 H new ATOM 1440 N TYR A 97 -3.769 -2.406 -12.063 1.00 0.00 N ATOM 1441 CA TYR A 97 -2.869 -2.869 -13.133 1.00 0.00 C ATOM 1442 C TYR A 97 -3.422 -4.110 -13.824 1.00 0.00 C ATOM 1443 O TYR A 97 -3.470 -5.192 -13.230 1.00 0.00 O ATOM 1444 CB TYR A 97 -1.485 -3.181 -12.568 1.00 0.00 C ATOM 1445 CG TYR A 97 -0.843 -1.922 -12.025 1.00 0.00 C ATOM 1446 CD1 TYR A 97 -0.904 -1.638 -10.655 1.00 0.00 C ATOM 1447 CD2 TYR A 97 -0.178 -1.046 -12.891 1.00 0.00 C ATOM 1448 CE1 TYR A 97 -0.301 -0.480 -10.153 1.00 0.00 C ATOM 1449 CE2 TYR A 97 0.426 0.115 -12.388 1.00 0.00 C ATOM 1450 CZ TYR A 97 0.365 0.397 -11.019 1.00 0.00 C ATOM 1451 OH TYR A 97 0.963 1.538 -10.521 1.00 0.00 O ATOM 0 H TYR A 97 -3.842 -3.038 -11.266 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.792 -2.066 -13.866 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -1.567 -3.926 -11.776 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.855 -3.612 -13.347 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -1.417 -2.313 -9.986 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.130 -1.265 -13.948 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.349 -0.262 -9.096 1.00 0.00 H new ATOM 0 HE2 TYR A 97 0.938 0.791 -13.057 1.00 0.00 H new ATOM 0 HH TYR A 97 0.273 2.154 -10.197 1.00 0.00 H new ATOM 1461 N SER A 98 -3.811 -3.952 -15.096 1.00 0.00 N ATOM 1462 CA SER A 98 -4.333 -5.071 -15.891 1.00 0.00 C ATOM 1463 C SER A 98 -3.263 -6.141 -16.061 1.00 0.00 C ATOM 1464 O SER A 98 -3.542 -7.339 -15.955 1.00 0.00 O ATOM 1465 CB SER A 98 -4.758 -4.573 -17.269 1.00 0.00 C ATOM 1466 OG SER A 98 -5.832 -3.663 -17.130 1.00 0.00 O ATOM 0 H SER A 98 -3.774 -3.063 -15.595 1.00 0.00 H new ATOM 0 HA SER A 98 -5.191 -5.496 -15.370 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.919 -4.088 -17.767 1.00 0.00 H new ATOM 0 HB3 SER A 98 -5.058 -5.414 -17.895 1.00 0.00 H new ATOM 0 HG SER A 98 -6.438 -3.753 -17.895 1.00 0.00 H new ATOM 1472 N LYS A 99 -2.038 -5.687 -16.324 1.00 0.00 N ATOM 1473 CA LYS A 99 -0.900 -6.574 -16.514 1.00 0.00 C ATOM 1474 C LYS A 99 0.357 -5.976 -15.891 1.00 0.00 C ATOM 1475 O LYS A 99 0.640 -4.784 -16.053 1.00 0.00 O ATOM 1476 CB LYS A 99 -0.690 -6.873 -18.033 1.00 0.00 C ATOM 1477 CG LYS A 99 0.674 -7.597 -18.285 1.00 0.00 C ATOM 1478 CD LYS A 99 0.591 -8.475 -19.542 1.00 0.00 C ATOM 1479 CE LYS A 99 1.976 -9.050 -19.862 1.00 0.00 C ATOM 1480 NZ LYS A 99 2.375 -10.025 -18.804 1.00 0.00 N ATOM 0 H LYS A 99 -1.811 -4.696 -16.410 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.106 -7.518 -16.009 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.507 -7.494 -18.400 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.719 -5.941 -18.597 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.468 -6.860 -18.401 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.932 -8.210 -17.422 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.122 -9.284 -19.386 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.227 -7.887 -20.385 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.960 -9.541 -20.835 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.709 -8.245 -19.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.219 -10.548 -19.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.588 -9.514 -17.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.596 -10.694 -18.636 1.00 0.00 H new ATOM 1494 N ALA A 100 1.128 -6.837 -15.236 1.00 0.00 N ATOM 1495 CA ALA A 100 2.388 -6.439 -14.647 1.00 0.00 C ATOM 1496 C ALA A 100 3.473 -6.460 -15.711 1.00 0.00 C ATOM 1497 O ALA A 100 3.512 -7.362 -16.554 1.00 0.00 O ATOM 1498 CB ALA A 100 2.763 -7.380 -13.500 1.00 0.00 C ATOM 0 H ALA A 100 0.894 -7.821 -15.102 1.00 0.00 H new ATOM 0 HA ALA A 100 2.290 -5.430 -14.248 1.00 0.00 H new ATOM 0 HB1 ALA A 100 3.713 -7.066 -13.068 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.988 -7.347 -12.734 1.00 0.00 H new ATOM 0 HB3 ALA A 100 2.855 -8.398 -13.880 1.00 0.00 H new ATOM 1599 N ASP A 107 3.899 -2.654 -18.569 1.00 0.00 N ATOM 1600 CA ASP A 107 2.781 -2.781 -17.668 1.00 0.00 C ATOM 1601 C ASP A 107 1.570 -2.058 -18.255 1.00 0.00 C ATOM 1602 O ASP A 107 1.725 -1.025 -18.917 1.00 0.00 O ATOM 1603 CB ASP A 107 3.132 -2.177 -16.317 1.00 0.00 C ATOM 1604 CG ASP A 107 3.674 -0.750 -16.469 1.00 0.00 C ATOM 1605 OD1 ASP A 107 4.686 -0.585 -17.132 1.00 0.00 O ATOM 1606 OD2 ASP A 107 3.066 0.154 -15.918 1.00 0.00 O ATOM 0 HA ASP A 107 2.546 -3.837 -17.535 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.248 -2.167 -15.680 1.00 0.00 H new ATOM 0 HB3 ASP A 107 3.876 -2.800 -15.820 1.00 0.00 H new ATOM 1611 N VAL A 108 0.364 -2.597 -18.012 1.00 0.00 N ATOM 1612 CA VAL A 108 -0.869 -1.975 -18.534 1.00 0.00 C ATOM 1613 C VAL A 108 -1.809 -1.552 -17.363 1.00 0.00 C ATOM 1614 O VAL A 108 -2.456 -2.414 -16.764 1.00 0.00 O ATOM 1615 CB VAL A 108 -1.605 -2.977 -19.472 1.00 0.00 C ATOM 1616 CG1 VAL A 108 -2.877 -2.334 -20.055 1.00 0.00 C ATOM 1617 CG2 VAL A 108 -0.680 -3.380 -20.631 1.00 0.00 C ATOM 0 H VAL A 108 0.215 -3.447 -17.468 1.00 0.00 H new ATOM 0 HA VAL A 108 -0.599 -1.082 -19.099 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.878 -3.856 -18.888 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.379 -3.048 -20.708 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -3.547 -2.052 -19.243 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -2.607 -1.447 -20.627 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -1.200 -4.081 -21.284 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -0.401 -2.493 -21.199 1.00 0.00 H new ATOM 0 HG23 VAL A 108 0.218 -3.853 -20.233 1.00 0.00 H new ATOM 1627 N PRO A 109 -1.936 -0.235 -17.052 1.00 0.00 N ATOM 1628 CA PRO A 109 -2.860 0.247 -15.980 1.00 0.00 C ATOM 1629 C PRO A 109 -4.286 0.466 -16.500 1.00 0.00 C ATOM 1630 O PRO A 109 -4.476 0.966 -17.614 1.00 0.00 O ATOM 1631 CB PRO A 109 -2.233 1.573 -15.574 1.00 0.00 C ATOM 1632 CG PRO A 109 -1.681 2.124 -16.848 1.00 0.00 C ATOM 1633 CD PRO A 109 -1.215 0.918 -17.674 1.00 0.00 C ATOM 0 HA PRO A 109 -2.964 -0.468 -15.164 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.971 2.245 -15.137 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.450 1.432 -14.829 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.439 2.694 -17.386 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -0.852 2.804 -16.651 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -1.472 1.030 -18.727 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -0.134 0.790 -17.622 1.00 0.00 H new ATOM 1641 N LEU A 110 -5.279 0.145 -15.661 1.00 0.00 N ATOM 1642 CA LEU A 110 -6.689 0.369 -16.010 1.00 0.00 C ATOM 1643 C LEU A 110 -7.025 1.850 -15.908 1.00 0.00 C ATOM 1644 O LEU A 110 -6.526 2.546 -15.015 1.00 0.00 O ATOM 1645 CB LEU A 110 -7.615 -0.431 -15.078 1.00 0.00 C ATOM 1646 CG LEU A 110 -7.501 -1.944 -15.382 1.00 0.00 C ATOM 1647 CD1 LEU A 110 -8.122 -2.767 -14.228 1.00 0.00 C ATOM 1648 CD2 LEU A 110 -8.249 -2.267 -16.691 1.00 0.00 C ATOM 0 H LEU A 110 -5.134 -0.269 -14.740 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.843 0.031 -17.035 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -7.349 -0.240 -14.038 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.646 -0.103 -15.209 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.447 -2.203 -15.484 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.036 -3.830 -14.452 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.594 -2.548 -13.300 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -9.174 -2.503 -14.118 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -8.167 -3.333 -16.903 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -9.300 -1.997 -16.586 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.809 -1.699 -17.511 1.00 0.00 H new ATOM 1660 N LYS A 111 -7.879 2.326 -16.820 1.00 0.00 N ATOM 1661 CA LYS A 111 -8.292 3.722 -16.825 1.00 0.00 C ATOM 1662 C LYS A 111 -9.106 4.030 -15.568 1.00 0.00 C ATOM 1663 O LYS A 111 -10.086 3.340 -15.269 1.00 0.00 O ATOM 1664 CB LYS A 111 -9.125 4.006 -18.084 1.00 0.00 C ATOM 1665 CG LYS A 111 -9.355 5.515 -18.234 1.00 0.00 C ATOM 1666 CD LYS A 111 -10.192 5.800 -19.494 1.00 0.00 C ATOM 1667 CE LYS A 111 -9.338 5.595 -20.756 1.00 0.00 C ATOM 1668 NZ LYS A 111 -10.138 5.957 -21.961 1.00 0.00 N ATOM 0 H LYS A 111 -8.294 1.761 -17.561 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.409 4.361 -16.832 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -8.612 3.619 -18.964 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -10.082 3.489 -18.020 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -9.867 5.902 -17.353 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.398 6.032 -18.299 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -11.058 5.139 -19.521 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.571 6.822 -19.464 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.440 6.210 -20.704 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -9.010 4.558 -20.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.561 5.819 -22.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -10.982 5.352 -22.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.429 6.953 -21.898 1.00 0.00 H new ATOM 1682 N THR A 112 -8.688 5.068 -14.832 1.00 0.00 N ATOM 1683 CA THR A 112 -9.378 5.472 -13.592 1.00 0.00 C ATOM 1684 C THR A 112 -10.813 5.937 -13.879 1.00 0.00 C ATOM 1685 O THR A 112 -11.706 5.793 -13.039 1.00 0.00 O ATOM 1686 CB THR A 112 -8.585 6.588 -12.879 1.00 0.00 C ATOM 1687 OG1 THR A 112 -9.260 6.957 -11.685 1.00 0.00 O ATOM 1688 CG2 THR A 112 -8.445 7.818 -13.794 1.00 0.00 C ATOM 0 H THR A 112 -7.880 5.643 -15.069 1.00 0.00 H new ATOM 0 HA THR A 112 -9.432 4.602 -12.938 1.00 0.00 H new ATOM 0 HB THR A 112 -7.589 6.216 -12.640 1.00 0.00 H new ATOM 0 HG1 THR A 112 -8.757 7.664 -11.230 1.00 0.00 H new ATOM 0 HG21 THR A 112 -7.883 8.595 -13.276 1.00 0.00 H new ATOM 0 HG22 THR A 112 -7.917 7.536 -14.705 1.00 0.00 H new ATOM 0 HG23 THR A 112 -9.435 8.195 -14.050 1.00 0.00 H new ATOM 1696 N GLU A 113 -11.008 6.497 -15.068 1.00 0.00 N ATOM 1697 CA GLU A 113 -12.308 7.004 -15.503 1.00 0.00 C ATOM 1698 C GLU A 113 -13.352 5.887 -15.627 1.00 0.00 C ATOM 1699 O GLU A 113 -14.556 6.159 -15.599 1.00 0.00 O ATOM 1700 CB GLU A 113 -12.162 7.719 -16.845 1.00 0.00 C ATOM 1701 CG GLU A 113 -11.376 9.023 -16.646 1.00 0.00 C ATOM 1702 CD GLU A 113 -11.041 9.693 -17.996 1.00 0.00 C ATOM 1703 OE1 GLU A 113 -11.084 9.019 -19.019 1.00 0.00 O ATOM 1704 OE2 GLU A 113 -10.744 10.876 -17.980 1.00 0.00 O ATOM 0 H GLU A 113 -10.268 6.613 -15.760 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.658 7.702 -14.742 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.646 7.076 -17.558 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -13.145 7.934 -17.264 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -11.958 9.710 -16.032 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -10.454 8.814 -16.103 1.00 0.00 H new ATOM 1711 N GLU A 114 -12.888 4.638 -15.811 1.00 0.00 N ATOM 1712 CA GLU A 114 -13.797 3.502 -15.987 1.00 0.00 C ATOM 1713 C GLU A 114 -14.642 3.233 -14.721 1.00 0.00 C ATOM 1714 O GLU A 114 -15.680 2.568 -14.798 1.00 0.00 O ATOM 1715 CB GLU A 114 -13.005 2.240 -16.382 1.00 0.00 C ATOM 1716 CG GLU A 114 -13.884 1.278 -17.230 1.00 0.00 C ATOM 1717 CD GLU A 114 -13.278 1.082 -18.622 1.00 0.00 C ATOM 1718 OE1 GLU A 114 -12.867 2.067 -19.212 1.00 0.00 O ATOM 1719 OE2 GLU A 114 -13.234 -0.051 -19.073 1.00 0.00 O ATOM 0 H GLU A 114 -11.898 4.396 -15.841 1.00 0.00 H new ATOM 0 HA GLU A 114 -14.488 3.758 -16.790 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.119 2.524 -16.949 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -12.659 1.727 -15.485 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -13.970 0.315 -16.726 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.892 1.682 -17.320 1.00 0.00 H new ATOM 1726 N PHE A 115 -14.203 3.768 -13.569 1.00 0.00 N ATOM 1727 CA PHE A 115 -14.936 3.601 -12.303 1.00 0.00 C ATOM 1728 C PHE A 115 -14.676 4.773 -11.337 1.00 0.00 C ATOM 1729 O PHE A 115 -13.720 5.533 -11.511 1.00 0.00 O ATOM 1730 CB PHE A 115 -14.583 2.256 -11.637 1.00 0.00 C ATOM 1731 CG PHE A 115 -13.103 2.203 -11.299 1.00 0.00 C ATOM 1732 CD1 PHE A 115 -12.654 2.634 -10.044 1.00 0.00 C ATOM 1733 CD2 PHE A 115 -12.187 1.724 -12.244 1.00 0.00 C ATOM 1734 CE1 PHE A 115 -11.290 2.586 -9.734 1.00 0.00 C ATOM 1735 CE2 PHE A 115 -10.822 1.676 -11.933 1.00 0.00 C ATOM 1736 CZ PHE A 115 -10.374 2.107 -10.678 1.00 0.00 C ATOM 0 H PHE A 115 -13.348 4.318 -13.489 1.00 0.00 H new ATOM 0 HA PHE A 115 -16.000 3.599 -12.539 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -15.174 2.126 -10.730 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -14.839 1.434 -12.305 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -13.361 3.003 -9.315 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -12.533 1.392 -13.212 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -10.944 2.919 -8.766 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -10.115 1.307 -12.661 1.00 0.00 H new ATOM 0 HZ PHE A 115 -9.322 2.070 -10.438 1.00 0.00 H new ATOM 1746 N GLU A 116 -15.554 4.913 -10.331 1.00 0.00 N ATOM 1747 CA GLU A 116 -15.447 5.997 -9.342 1.00 0.00 C ATOM 1748 C GLU A 116 -15.311 5.446 -7.915 1.00 0.00 C ATOM 1749 O GLU A 116 -16.106 4.609 -7.478 1.00 0.00 O ATOM 1750 CB GLU A 116 -16.684 6.938 -9.449 1.00 0.00 C ATOM 1751 CG GLU A 116 -16.687 7.997 -8.309 1.00 0.00 C ATOM 1752 CD GLU A 116 -17.730 9.078 -8.585 1.00 0.00 C ATOM 1753 OE1 GLU A 116 -18.821 8.731 -9.012 1.00 0.00 O ATOM 1754 OE2 GLU A 116 -17.422 10.238 -8.366 1.00 0.00 O ATOM 0 H GLU A 116 -16.346 4.288 -10.181 1.00 0.00 H new ATOM 0 HA GLU A 116 -14.544 6.567 -9.560 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -16.679 7.441 -10.416 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -17.599 6.347 -9.402 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -16.900 7.513 -7.356 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -15.699 8.450 -8.223 1.00 0.00 H new ATOM 1761 N VAL A 117 -14.345 6.003 -7.179 1.00 0.00 N ATOM 1762 CA VAL A 117 -14.143 5.662 -5.775 1.00 0.00 C ATOM 1763 C VAL A 117 -14.080 6.932 -4.925 1.00 0.00 C ATOM 1764 O VAL A 117 -13.425 7.910 -5.296 1.00 0.00 O ATOM 1765 CB VAL A 117 -12.851 4.836 -5.589 1.00 0.00 C ATOM 1766 CG1 VAL A 117 -12.980 3.507 -6.333 1.00 0.00 C ATOM 1767 CG2 VAL A 117 -11.634 5.610 -6.138 1.00 0.00 C ATOM 0 H VAL A 117 -13.689 6.696 -7.539 1.00 0.00 H new ATOM 0 HA VAL A 117 -14.988 5.057 -5.448 1.00 0.00 H new ATOM 0 HB VAL A 117 -12.705 4.652 -4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -12.067 2.926 -6.201 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -13.827 2.948 -5.935 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -13.138 3.698 -7.394 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -10.732 5.015 -5.999 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -11.778 5.809 -7.200 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -11.532 6.554 -5.603 1.00 0.00 H new ATOM 1777 N THR A 118 -14.753 6.891 -3.784 1.00 0.00 N ATOM 1778 CA THR A 118 -14.781 8.011 -2.843 1.00 0.00 C ATOM 1779 C THR A 118 -14.555 7.507 -1.423 1.00 0.00 C ATOM 1780 O THR A 118 -14.785 6.328 -1.131 1.00 0.00 O ATOM 1781 CB THR A 118 -16.120 8.762 -2.934 1.00 0.00 C ATOM 1782 OG1 THR A 118 -16.393 9.073 -4.294 1.00 0.00 O ATOM 1783 CG2 THR A 118 -16.040 10.062 -2.126 1.00 0.00 C ATOM 0 H THR A 118 -15.296 6.083 -3.481 1.00 0.00 H new ATOM 0 HA THR A 118 -13.981 8.703 -3.104 1.00 0.00 H new ATOM 0 HB THR A 118 -16.914 8.133 -2.532 1.00 0.00 H new ATOM 0 HG1 THR A 118 -17.247 9.550 -4.355 1.00 0.00 H new ATOM 0 HG21 THR A 118 -16.991 10.591 -2.193 1.00 0.00 H new ATOM 0 HG22 THR A 118 -15.827 9.829 -1.083 1.00 0.00 H new ATOM 0 HG23 THR A 118 -15.245 10.691 -2.527 1.00 0.00 H new ATOM 1791 N LYS A 119 -14.084 8.400 -0.554 1.00 0.00 N ATOM 1792 CA LYS A 119 -13.794 8.048 0.839 1.00 0.00 C ATOM 1793 C LYS A 119 -15.031 7.522 1.580 1.00 0.00 C ATOM 1794 O LYS A 119 -14.898 6.863 2.618 1.00 0.00 O ATOM 1795 CB LYS A 119 -13.204 9.260 1.585 1.00 0.00 C ATOM 1796 CG LYS A 119 -14.216 10.424 1.605 1.00 0.00 C ATOM 1797 CD LYS A 119 -13.600 11.641 2.316 1.00 0.00 C ATOM 1798 CE LYS A 119 -13.559 11.395 3.831 1.00 0.00 C ATOM 1799 NZ LYS A 119 -13.036 12.606 4.519 1.00 0.00 N ATOM 0 H LYS A 119 -13.894 9.374 -0.788 1.00 0.00 H new ATOM 0 HA LYS A 119 -13.062 7.241 0.819 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.946 8.977 2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -12.282 9.580 1.100 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.497 10.691 0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.128 10.116 2.117 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -12.593 11.821 1.941 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -14.185 12.535 2.099 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -14.558 11.158 4.198 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -12.926 10.536 4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -13.009 12.438 5.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -12.076 12.813 4.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -13.657 13.415 4.317 1.00 0.00 H new ATOM 1813 N THR A 120 -16.229 7.844 1.069 1.00 0.00 N ATOM 1814 CA THR A 120 -17.475 7.427 1.730 1.00 0.00 C ATOM 1815 C THR A 120 -18.552 6.945 0.739 1.00 0.00 C ATOM 1816 O THR A 120 -19.712 6.762 1.124 1.00 0.00 O ATOM 1817 CB THR A 120 -18.011 8.574 2.602 1.00 0.00 C ATOM 1818 OG1 THR A 120 -19.187 8.151 3.288 1.00 0.00 O ATOM 1819 CG2 THR A 120 -18.335 9.800 1.737 1.00 0.00 C ATOM 0 H THR A 120 -16.361 8.383 0.213 1.00 0.00 H new ATOM 0 HA THR A 120 -17.235 6.569 2.359 1.00 0.00 H new ATOM 0 HB THR A 120 -17.244 8.846 3.327 1.00 0.00 H new ATOM 0 HG1 THR A 120 -19.659 7.483 2.748 1.00 0.00 H new ATOM 0 HG21 THR A 120 -18.713 10.602 2.370 1.00 0.00 H new ATOM 0 HG22 THR A 120 -17.431 10.135 1.228 1.00 0.00 H new ATOM 0 HG23 THR A 120 -19.091 9.534 0.998 1.00 0.00 H new ATOM 1827 N ALA A 121 -18.157 6.724 -0.522 1.00 0.00 N ATOM 1828 CA ALA A 121 -19.086 6.245 -1.545 1.00 0.00 C ATOM 1829 C ALA A 121 -18.337 5.587 -2.693 1.00 0.00 C ATOM 1830 O ALA A 121 -17.181 5.912 -2.955 1.00 0.00 O ATOM 1831 CB ALA A 121 -19.935 7.402 -2.077 1.00 0.00 C ATOM 0 H ALA A 121 -17.204 6.870 -0.854 1.00 0.00 H new ATOM 0 HA ALA A 121 -19.739 5.503 -1.085 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -20.621 7.030 -2.838 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -20.504 7.842 -1.258 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -19.285 8.159 -2.515 1.00 0.00 H new ATOM 1837 N VAL A 122 -19.019 4.679 -3.392 1.00 0.00 N ATOM 1838 CA VAL A 122 -18.437 3.995 -4.551 1.00 0.00 C ATOM 1839 C VAL A 122 -19.405 4.018 -5.716 1.00 0.00 C ATOM 1840 O VAL A 122 -20.627 3.999 -5.518 1.00 0.00 O ATOM 1841 CB VAL A 122 -18.061 2.542 -4.204 1.00 0.00 C ATOM 1842 CG1 VAL A 122 -16.978 2.544 -3.139 1.00 0.00 C ATOM 1843 CG2 VAL A 122 -19.291 1.776 -3.677 1.00 0.00 C ATOM 0 H VAL A 122 -19.976 4.399 -3.177 1.00 0.00 H new ATOM 0 HA VAL A 122 -17.528 4.525 -4.834 1.00 0.00 H new ATOM 0 HB VAL A 122 -17.698 2.048 -5.106 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -16.710 1.517 -2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -16.099 3.068 -3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -17.347 3.048 -2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -19.006 0.752 -3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -19.669 2.267 -2.780 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -20.069 1.767 -4.441 1.00 0.00 H new ATOM 1853 N ALA A 123 -18.856 4.052 -6.930 1.00 0.00 N ATOM 1854 CA ALA A 123 -19.673 4.072 -8.128 1.00 0.00 C ATOM 1855 C ALA A 123 -18.909 3.528 -9.324 1.00 0.00 C ATOM 1856 O ALA A 123 -17.678 3.432 -9.293 1.00 0.00 O ATOM 1857 CB ALA A 123 -20.163 5.492 -8.418 1.00 0.00 C ATOM 0 H ALA A 123 -17.851 4.066 -7.103 1.00 0.00 H new ATOM 0 HA ALA A 123 -20.535 3.428 -7.954 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -20.775 5.489 -9.320 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -20.758 5.850 -7.578 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -19.306 6.150 -8.563 1.00 0.00 H new ATOM 1863 N HIS A 124 -19.646 3.200 -10.387 1.00 0.00 N ATOM 1864 CA HIS A 124 -19.047 2.696 -11.619 1.00 0.00 C ATOM 1865 C HIS A 124 -19.391 3.619 -12.789 1.00 0.00 C ATOM 1866 O HIS A 124 -20.391 4.345 -12.745 1.00 0.00 O ATOM 1867 CB HIS A 124 -19.520 1.250 -11.903 1.00 0.00 C ATOM 1868 CG HIS A 124 -21.022 1.211 -12.095 1.00 0.00 C ATOM 1869 ND1 HIS A 124 -21.906 1.221 -11.029 1.00 0.00 N ATOM 1870 CD2 HIS A 124 -21.798 1.172 -13.227 1.00 0.00 C ATOM 1871 CE1 HIS A 124 -23.153 1.190 -11.536 1.00 0.00 C ATOM 1872 NE2 HIS A 124 -23.142 1.160 -12.872 1.00 0.00 N ATOM 0 H HIS A 124 -20.663 3.276 -10.417 1.00 0.00 H new ATOM 0 HA HIS A 124 -17.964 2.679 -11.499 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -19.023 0.867 -12.795 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -19.236 0.599 -11.076 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -21.422 1.153 -14.239 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -24.051 1.189 -10.937 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -23.947 1.134 -13.497 1.00 0.00 H new ATOM 1880 N ARG A 125 -18.544 3.600 -13.812 1.00 0.00 N ATOM 1881 CA ARG A 125 -18.727 4.450 -14.986 1.00 0.00 C ATOM 1882 C ARG A 125 -19.032 3.602 -16.232 1.00 0.00 C ATOM 1883 O ARG A 125 -18.655 2.426 -16.276 1.00 0.00 O ATOM 1884 CB ARG A 125 -17.460 5.284 -15.224 1.00 0.00 C ATOM 1885 CG ARG A 125 -17.203 6.221 -14.021 1.00 0.00 C ATOM 1886 CD ARG A 125 -18.230 7.363 -14.009 1.00 0.00 C ATOM 1887 NE ARG A 125 -17.920 8.316 -12.925 1.00 0.00 N ATOM 1888 CZ ARG A 125 -18.675 9.414 -12.662 1.00 0.00 C ATOM 1889 NH1 ARG A 125 -19.753 9.690 -13.372 1.00 0.00 N ATOM 1890 NH2 ARG A 125 -18.325 10.214 -11.693 1.00 0.00 N ATOM 0 H ARG A 125 -17.719 3.002 -13.853 1.00 0.00 H new ATOM 0 HA ARG A 125 -19.573 5.113 -14.804 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -16.604 4.625 -15.370 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -17.569 5.872 -16.135 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -17.266 5.656 -13.091 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -16.194 6.630 -14.078 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -18.223 7.878 -14.969 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -19.233 6.959 -13.872 1.00 0.00 H new ATOM 0 HE ARG A 125 -17.099 8.141 -12.345 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -20.033 9.073 -14.135 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -20.306 10.520 -13.158 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -17.491 10.012 -11.141 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -18.885 11.041 -11.487 1.00 0.00 H new ATOM 1904 N PRO A 126 -19.695 4.170 -17.267 1.00 0.00 N ATOM 1905 CA PRO A 126 -20.007 3.408 -18.515 1.00 0.00 C ATOM 1906 C PRO A 126 -18.738 2.811 -19.103 1.00 0.00 C ATOM 1907 O PRO A 126 -17.671 3.435 -19.048 1.00 0.00 O ATOM 1908 CB PRO A 126 -20.592 4.473 -19.451 1.00 0.00 C ATOM 1909 CG PRO A 126 -21.160 5.504 -18.539 1.00 0.00 C ATOM 1910 CD PRO A 126 -20.208 5.569 -17.353 1.00 0.00 C ATOM 0 HA PRO A 126 -20.688 2.573 -18.348 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -19.824 4.896 -20.099 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -21.360 4.052 -20.100 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -21.233 6.471 -19.037 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -22.166 5.233 -18.220 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -19.404 6.286 -17.518 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -20.720 5.870 -16.439 1.00 0.00 H new ATOM 1918 N GLY A 127 -18.845 1.585 -19.617 1.00 0.00 N ATOM 1919 CA GLY A 127 -17.681 0.881 -20.163 1.00 0.00 C ATOM 1920 C GLY A 127 -16.866 0.181 -19.055 1.00 0.00 C ATOM 1921 O GLY A 127 -15.731 -0.238 -19.289 1.00 0.00 O ATOM 0 H GLY A 127 -19.719 1.061 -19.667 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -18.012 0.142 -20.893 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -17.043 1.589 -20.692 1.00 0.00 H new ATOM 1925 N ALA A 128 -17.458 0.058 -17.845 1.00 0.00 N ATOM 1926 CA ALA A 128 -16.793 -0.583 -16.708 1.00 0.00 C ATOM 1927 C ALA A 128 -16.196 -1.932 -17.112 1.00 0.00 C ATOM 1928 O ALA A 128 -16.742 -2.630 -17.971 1.00 0.00 O ATOM 1929 CB ALA A 128 -17.790 -0.784 -15.567 1.00 0.00 C ATOM 0 H ALA A 128 -18.397 0.398 -17.640 1.00 0.00 H new ATOM 0 HA ALA A 128 -15.984 0.068 -16.376 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -17.288 -1.261 -14.725 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -18.184 0.183 -15.254 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -18.609 -1.417 -15.907 1.00 0.00 H new ATOM 1935 N PHE A 129 -15.058 -2.274 -16.500 1.00 0.00 N ATOM 1936 CA PHE A 129 -14.359 -3.525 -16.809 1.00 0.00 C ATOM 1937 C PHE A 129 -15.132 -4.716 -16.266 1.00 0.00 C ATOM 1938 O PHE A 129 -15.707 -4.641 -15.174 1.00 0.00 O ATOM 1939 CB PHE A 129 -12.949 -3.511 -16.210 1.00 0.00 C ATOM 1940 CG PHE A 129 -12.112 -2.463 -16.911 1.00 0.00 C ATOM 1941 CD1 PHE A 129 -11.873 -1.227 -16.296 1.00 0.00 C ATOM 1942 CD2 PHE A 129 -11.580 -2.728 -18.178 1.00 0.00 C ATOM 1943 CE1 PHE A 129 -11.104 -0.255 -16.949 1.00 0.00 C ATOM 1944 CE2 PHE A 129 -10.809 -1.758 -18.831 1.00 0.00 C ATOM 1945 CZ PHE A 129 -10.571 -0.521 -18.217 1.00 0.00 C ATOM 0 H PHE A 129 -14.602 -1.703 -15.789 1.00 0.00 H new ATOM 0 HA PHE A 129 -14.286 -3.614 -17.893 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -12.998 -3.298 -15.142 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -12.487 -4.492 -16.318 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -12.282 -1.023 -15.317 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -11.764 -3.681 -18.652 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -10.922 0.698 -16.475 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -10.398 -1.963 -19.808 1.00 0.00 H new ATOM 0 HZ PHE A 129 -9.977 0.227 -18.721 1.00 0.00 H new ATOM 1955 N LYS A 130 -15.156 -5.813 -17.039 1.00 0.00 N ATOM 1956 CA LYS A 130 -15.881 -7.019 -16.625 1.00 0.00 C ATOM 1957 C LYS A 130 -15.076 -8.286 -16.946 1.00 0.00 C ATOM 1958 O LYS A 130 -14.613 -8.985 -16.040 1.00 0.00 O ATOM 1959 CB LYS A 130 -17.259 -7.081 -17.319 1.00 0.00 C ATOM 1960 CG LYS A 130 -18.088 -5.855 -16.937 1.00 0.00 C ATOM 1961 CD LYS A 130 -19.456 -5.924 -17.615 1.00 0.00 C ATOM 1962 CE LYS A 130 -20.274 -4.690 -17.231 1.00 0.00 C ATOM 1963 NZ LYS A 130 -21.606 -4.748 -17.894 1.00 0.00 N ATOM 0 H LYS A 130 -14.688 -5.888 -17.942 1.00 0.00 H new ATOM 0 HA LYS A 130 -16.026 -6.969 -15.546 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -17.130 -7.121 -18.401 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -17.783 -7.991 -17.026 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -18.210 -5.810 -15.855 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -17.568 -4.945 -17.237 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -19.336 -5.972 -18.697 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -19.980 -6.830 -17.311 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -20.397 -4.645 -16.149 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -19.747 -3.784 -17.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -22.161 -3.908 -17.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -21.479 -4.771 -18.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -22.109 -5.605 -17.588 1.00 0.00 H new ATOM 1977 N ALA A 131 -14.926 -8.572 -18.244 1.00 0.00 N ATOM 1978 CA ALA A 131 -14.193 -9.747 -18.711 1.00 0.00 C ATOM 1979 C ALA A 131 -12.725 -9.694 -18.297 1.00 0.00 C ATOM 1980 O ALA A 131 -12.116 -10.729 -18.011 1.00 0.00 O ATOM 1981 CB ALA A 131 -14.297 -9.859 -20.232 1.00 0.00 C ATOM 0 H ALA A 131 -15.308 -7.997 -18.995 1.00 0.00 H new ATOM 0 HA ALA A 131 -14.643 -10.625 -18.247 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -13.748 -10.737 -20.571 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -15.344 -9.953 -20.519 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -13.873 -8.966 -20.692 1.00 0.00 H new ATOM 1987 N GLU A 132 -12.149 -8.488 -18.330 1.00 0.00 N ATOM 1988 CA GLU A 132 -10.732 -8.296 -18.027 1.00 0.00 C ATOM 1989 C GLU A 132 -10.471 -8.359 -16.521 1.00 0.00 C ATOM 1990 O GLU A 132 -11.296 -7.928 -15.713 1.00 0.00 O ATOM 1991 CB GLU A 132 -10.250 -6.960 -18.597 1.00 0.00 C ATOM 1992 CG GLU A 132 -8.717 -6.901 -18.546 1.00 0.00 C ATOM 1993 CD GLU A 132 -8.204 -5.594 -19.166 1.00 0.00 C ATOM 1994 OE1 GLU A 132 -8.800 -5.134 -20.132 1.00 0.00 O ATOM 1995 OE2 GLU A 132 -7.221 -5.076 -18.667 1.00 0.00 O ATOM 0 H GLU A 132 -12.647 -7.629 -18.565 1.00 0.00 H new ATOM 0 HA GLU A 132 -10.172 -9.106 -18.495 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -10.594 -6.846 -19.625 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -10.675 -6.135 -18.025 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.379 -6.976 -17.512 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.297 -7.753 -19.081 1.00 0.00 H new ATOM 2002 N LEU A 133 -9.315 -8.923 -16.165 1.00 0.00 N ATOM 2003 CA LEU A 133 -8.916 -9.089 -14.754 1.00 0.00 C ATOM 2004 C LEU A 133 -7.769 -8.139 -14.395 1.00 0.00 C ATOM 2005 O LEU A 133 -7.089 -7.623 -15.290 1.00 0.00 O ATOM 2006 CB LEU A 133 -8.513 -10.559 -14.466 1.00 0.00 C ATOM 2007 CG LEU A 133 -7.447 -11.072 -15.481 1.00 0.00 C ATOM 2008 CD1 LEU A 133 -6.046 -10.558 -15.102 1.00 0.00 C ATOM 2009 CD2 LEU A 133 -7.443 -12.609 -15.475 1.00 0.00 C ATOM 0 H LEU A 133 -8.631 -9.276 -16.834 1.00 0.00 H new ATOM 0 HA LEU A 133 -9.774 -8.839 -14.130 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -8.118 -10.637 -13.453 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -9.397 -11.195 -14.513 1.00 0.00 H new ATOM 0 HG LEU A 133 -7.699 -10.701 -16.474 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -5.316 -10.927 -15.822 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -6.044 -9.468 -15.109 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -5.785 -10.915 -14.106 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -6.699 -12.974 -16.183 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -7.199 -12.968 -14.475 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -8.428 -12.977 -15.762 1.00 0.00 H new ATOM 2021 N SER A 134 -7.595 -7.851 -13.077 1.00 0.00 N ATOM 2022 CA SER A 134 -6.550 -6.910 -12.646 1.00 0.00 C ATOM 2023 C SER A 134 -6.349 -6.887 -11.125 1.00 0.00 C ATOM 2024 O SER A 134 -7.126 -7.469 -10.367 1.00 0.00 O ATOM 2025 CB SER A 134 -6.881 -5.504 -13.153 1.00 0.00 C ATOM 2026 OG SER A 134 -5.869 -4.595 -12.751 1.00 0.00 O ATOM 0 H SER A 134 -8.152 -8.249 -12.321 1.00 0.00 H new ATOM 0 HA SER A 134 -5.612 -7.256 -13.079 1.00 0.00 H new ATOM 0 HB2 SER A 134 -6.965 -5.510 -14.240 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.846 -5.184 -12.760 1.00 0.00 H new ATOM 0 HG SER A 134 -5.889 -3.805 -13.331 1.00 0.00 H new ATOM 2032 N LYS A 135 -5.320 -6.140 -10.705 1.00 0.00 N ATOM 2033 CA LYS A 135 -5.007 -5.936 -9.286 1.00 0.00 C ATOM 2034 C LYS A 135 -5.194 -4.466 -8.934 1.00 0.00 C ATOM 2035 O LYS A 135 -5.200 -3.609 -9.822 1.00 0.00 O ATOM 2036 CB LYS A 135 -3.556 -6.369 -8.955 1.00 0.00 C ATOM 2037 CG LYS A 135 -2.555 -5.711 -9.925 1.00 0.00 C ATOM 2038 CD LYS A 135 -1.135 -6.225 -9.636 1.00 0.00 C ATOM 2039 CE LYS A 135 -0.581 -5.563 -8.361 1.00 0.00 C ATOM 2040 NZ LYS A 135 -0.400 -4.093 -8.583 1.00 0.00 N ATOM 0 H LYS A 135 -4.682 -5.660 -11.340 1.00 0.00 H new ATOM 0 HA LYS A 135 -5.685 -6.553 -8.696 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -3.313 -6.090 -7.930 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -3.472 -7.454 -9.019 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -2.831 -5.937 -10.955 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -2.588 -4.627 -9.816 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -1.150 -7.308 -9.516 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -0.482 -6.007 -10.481 1.00 0.00 H new ATOM 0 HE2 LYS A 135 -1.263 -5.732 -7.528 1.00 0.00 H new ATOM 0 HE3 LYS A 135 0.372 -6.018 -8.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 0.516 -3.793 -8.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 -0.425 -3.890 -9.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 -1.165 -3.573 -8.107 1.00 0.00 H new ATOM 2054 N LEU A 136 -5.415 -4.186 -7.648 1.00 0.00 N ATOM 2055 CA LEU A 136 -5.691 -2.816 -7.191 1.00 0.00 C ATOM 2056 C LEU A 136 -4.618 -2.298 -6.235 1.00 0.00 C ATOM 2057 O LEU A 136 -4.058 -3.053 -5.445 1.00 0.00 O ATOM 2058 CB LEU A 136 -7.056 -2.773 -6.491 1.00 0.00 C ATOM 2059 CG LEU A 136 -8.186 -3.103 -7.482 1.00 0.00 C ATOM 2060 CD1 LEU A 136 -9.475 -3.381 -6.698 1.00 0.00 C ATOM 2061 CD2 LEU A 136 -8.428 -1.903 -8.423 1.00 0.00 C ATOM 0 H LEU A 136 -5.409 -4.884 -6.905 1.00 0.00 H new ATOM 0 HA LEU A 136 -5.692 -2.172 -8.070 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.070 -3.485 -5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.219 -1.784 -6.062 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.903 -3.976 -8.070 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -10.281 -3.616 -7.394 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -9.318 -4.225 -6.027 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -9.744 -2.500 -6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -9.229 -2.144 -9.122 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -8.710 -1.030 -7.834 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -7.515 -1.686 -8.978 1.00 0.00 H new ATOM 2073 N VAL A 137 -4.392 -0.980 -6.282 1.00 0.00 N ATOM 2074 CA VAL A 137 -3.455 -0.313 -5.380 1.00 0.00 C ATOM 2075 C VAL A 137 -4.029 1.052 -4.966 1.00 0.00 C ATOM 2076 O VAL A 137 -4.423 1.851 -5.823 1.00 0.00 O ATOM 2077 CB VAL A 137 -2.064 -0.164 -6.052 1.00 0.00 C ATOM 2078 CG1 VAL A 137 -2.141 0.766 -7.274 1.00 0.00 C ATOM 2079 CG2 VAL A 137 -1.058 0.398 -5.042 1.00 0.00 C ATOM 0 H VAL A 137 -4.851 -0.353 -6.942 1.00 0.00 H new ATOM 0 HA VAL A 137 -3.319 -0.918 -4.484 1.00 0.00 H new ATOM 0 HB VAL A 137 -1.738 -1.149 -6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -1.154 0.854 -7.727 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -2.839 0.353 -8.002 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -2.485 1.751 -6.960 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -0.083 0.501 -5.518 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -1.397 1.374 -4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -0.977 -0.281 -4.193 1.00 0.00 H new ATOM 2089 N ILE A 138 -4.134 1.277 -3.653 1.00 0.00 N ATOM 2090 CA ILE A 138 -4.730 2.518 -3.129 1.00 0.00 C ATOM 2091 C ILE A 138 -3.795 3.209 -2.133 1.00 0.00 C ATOM 2092 O ILE A 138 -3.355 2.599 -1.153 1.00 0.00 O ATOM 2093 CB ILE A 138 -6.101 2.221 -2.447 1.00 0.00 C ATOM 2094 CG1 ILE A 138 -7.043 1.464 -3.432 1.00 0.00 C ATOM 2095 CG2 ILE A 138 -6.772 3.546 -2.023 1.00 0.00 C ATOM 2096 CD1 ILE A 138 -6.770 -0.050 -3.380 1.00 0.00 C ATOM 0 H ILE A 138 -3.818 0.624 -2.935 1.00 0.00 H new ATOM 0 HA ILE A 138 -4.887 3.189 -3.974 1.00 0.00 H new ATOM 0 HB ILE A 138 -5.925 1.599 -1.569 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -8.083 1.661 -3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -6.891 1.833 -4.446 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -7.729 3.333 -1.547 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -6.126 4.072 -1.320 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -6.935 4.169 -2.902 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -7.436 -0.564 -4.073 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -5.735 -0.243 -3.661 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -6.946 -0.417 -2.369 1.00 0.00 H new ATOM 2108 N VAL A 139 -3.563 4.507 -2.357 1.00 0.00 N ATOM 2109 CA VAL A 139 -2.755 5.321 -1.442 1.00 0.00 C ATOM 2110 C VAL A 139 -3.636 6.445 -0.875 1.00 0.00 C ATOM 2111 O VAL A 139 -4.196 7.243 -1.635 1.00 0.00 O ATOM 2112 CB VAL A 139 -1.527 5.914 -2.188 1.00 0.00 C ATOM 2113 CG1 VAL A 139 -0.672 6.761 -1.230 1.00 0.00 C ATOM 2114 CG2 VAL A 139 -0.664 4.775 -2.753 1.00 0.00 C ATOM 0 H VAL A 139 -3.923 5.016 -3.164 1.00 0.00 H new ATOM 0 HA VAL A 139 -2.384 4.701 -0.626 1.00 0.00 H new ATOM 0 HB VAL A 139 -1.888 6.546 -2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 139 0.183 7.168 -1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -1.273 7.579 -0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 139 -0.320 6.137 -0.409 1.00 0.00 H new ATOM 0 HG21 VAL A 139 0.196 5.195 -3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 139 -0.319 4.141 -1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 139 -1.256 4.180 -3.449 1.00 0.00 H new ATOM 2124 N ALA A 140 -3.784 6.472 0.456 1.00 0.00 N ATOM 2125 CA ALA A 140 -4.638 7.470 1.117 1.00 0.00 C ATOM 2126 C ALA A 140 -3.926 8.139 2.290 1.00 0.00 C ATOM 2127 O ALA A 140 -3.183 7.493 3.029 1.00 0.00 O ATOM 2128 CB ALA A 140 -5.928 6.811 1.606 1.00 0.00 C ATOM 0 H ALA A 140 -3.327 5.820 1.093 1.00 0.00 H new ATOM 0 HA ALA A 140 -4.872 8.241 0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -6.555 7.557 2.094 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -6.464 6.386 0.757 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -5.686 6.020 2.315 1.00 0.00 H new ATOM 2134 N LYS A 141 -4.174 9.443 2.451 1.00 0.00 N ATOM 2135 CA LYS A 141 -3.576 10.227 3.529 1.00 0.00 C ATOM 2136 C LYS A 141 -4.564 10.395 4.682 1.00 0.00 C ATOM 2137 O LYS A 141 -5.771 10.546 4.460 1.00 0.00 O ATOM 2138 CB LYS A 141 -3.168 11.607 3.009 1.00 0.00 C ATOM 2139 CG LYS A 141 -2.157 12.240 3.974 1.00 0.00 C ATOM 2140 CD LYS A 141 -1.757 13.636 3.475 1.00 0.00 C ATOM 2141 CE LYS A 141 -2.871 14.642 3.790 1.00 0.00 C ATOM 2142 NZ LYS A 141 -2.943 14.873 5.267 1.00 0.00 N ATOM 0 H LYS A 141 -4.791 9.979 1.841 1.00 0.00 H new ATOM 0 HA LYS A 141 -2.695 9.696 3.890 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -2.731 11.518 2.015 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -4.046 12.246 2.915 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -2.590 12.312 4.972 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -1.273 11.607 4.055 1.00 0.00 H new ATOM 0 HD2 LYS A 141 -0.827 13.949 3.950 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -1.573 13.609 2.401 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -2.680 15.583 3.274 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -3.827 14.266 3.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -3.280 15.840 5.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 -3.601 14.190 5.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -1.998 14.750 5.684 1.00 0.00 H new ATOM 2156 N ALA A 142 -4.043 10.373 5.914 1.00 0.00 N ATOM 2157 CA ALA A 142 -4.875 10.526 7.110 1.00 0.00 C ATOM 2158 C ALA A 142 -5.593 11.878 7.109 1.00 0.00 C ATOM 2159 O ALA A 142 -5.020 12.894 6.699 1.00 0.00 O ATOM 2160 CB ALA A 142 -4.011 10.388 8.373 1.00 0.00 C ATOM 0 H ALA A 142 -3.049 10.251 6.108 1.00 0.00 H new ATOM 0 HA ALA A 142 -5.630 9.740 7.104 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -4.638 10.503 9.257 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -3.541 9.404 8.387 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -3.240 11.158 8.372 1.00 0.00 H new