USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 668 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 90 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 94 GLN : amide:sc= -0.421 X(o=-0.42,f=-0.48) USER MOD Single : A 2 ASN : amide:sc=-0.00918 K(o=-0.0092,f=-1.2) USER MOD Single : A 3 SER OG : rot -124:sc= 1.26 USER MOD Single : A 7 LYS NZ :NH3+ -157:sc= 1.24 (180deg=1.23) USER MOD Single : A 17 TYR OH : rot -142:sc= 0.487 USER MOD Single : A 22 ASN : amide:sc= -0.994 K(o=-0.99,f=0) USER MOD Single : A 25 HIS : no HD1:sc= 0.851 K(o=0.85,f=-3.2!) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= -0.0455 (180deg=-0.36) USER MOD Single : A 32 TYR OH : rot 60:sc= -0.982 USER MOD Single : A 36 LYS NZ :NH3+ -168:sc= 1.08 (180deg=0.909) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= -0.0121 (180deg=-0.164) USER MOD Single : A 45 THR OG1 : rot -160:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.227 USER MOD Single : A 72 LYS NZ :NH3+ -148:sc= 1.22 (180deg=-0.324!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 116:sc= 1.74 USER MOD Single : A 83 ASN : amide:sc= -1.04! K(o=-1!,f=-0.033) USER MOD Single : A 88 THR OG1 : rot 84:sc= 1.25 USER MOD Single : A 91 SER OG : rot 87:sc= 1.25 USER MOD Single : A 95 LYS NZ :NH3+ 164:sc= -0.0545 (180deg=-0.303) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ -165:sc= -0.0283 (180deg=-0.239) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 2 80.194 -10.912 -5.672 1.00 0.00 N ATOM 21 CA ASN A 2 81.513 -11.080 -6.266 1.00 0.00 C ATOM 22 C ASN A 2 82.088 -9.718 -6.624 1.00 0.00 C ATOM 23 O ASN A 2 81.427 -8.695 -6.430 1.00 0.00 O ATOM 24 CB ASN A 2 81.438 -11.980 -7.503 1.00 0.00 C ATOM 25 CG ASN A 2 81.135 -13.425 -7.150 1.00 0.00 C ATOM 26 OD1 ASN A 2 81.512 -13.910 -6.084 1.00 0.00 O ATOM 27 ND2 ASN A 2 80.443 -14.123 -8.038 1.00 0.00 N ATOM 0 HA ASN A 2 82.170 -11.562 -5.542 1.00 0.00 H new ATOM 0 HB2 ASN A 2 80.668 -11.604 -8.176 1.00 0.00 H new ATOM 0 HB3 ASN A 2 82.384 -11.931 -8.042 1.00 0.00 H new ATOM 0 HD21 ASN A 2 80.206 -15.097 -7.848 1.00 0.00 H new ATOM 0 HD22 ASN A 2 80.147 -13.687 -8.911 1.00 0.00 H new ATOM 34 N SER A 3 83.309 -9.697 -7.142 1.00 0.00 N ATOM 35 CA SER A 3 83.973 -8.440 -7.471 1.00 0.00 C ATOM 36 C SER A 3 83.211 -7.683 -8.554 1.00 0.00 C ATOM 37 O SER A 3 83.183 -6.453 -8.560 1.00 0.00 O ATOM 38 CB SER A 3 85.404 -8.704 -7.936 1.00 0.00 C ATOM 39 OG SER A 3 85.418 -9.488 -9.117 1.00 0.00 O ATOM 0 H SER A 3 83.859 -10.532 -7.343 1.00 0.00 H new ATOM 0 HA SER A 3 83.993 -7.826 -6.571 1.00 0.00 H new ATOM 0 HB2 SER A 3 85.912 -7.757 -8.118 1.00 0.00 H new ATOM 0 HB3 SER A 3 85.957 -9.216 -7.149 1.00 0.00 H new ATOM 0 HG SER A 3 85.961 -10.291 -8.970 1.00 0.00 H new ATOM 45 N GLU A 4 82.586 -8.437 -9.456 1.00 0.00 N ATOM 46 CA GLU A 4 81.846 -7.869 -10.575 1.00 0.00 C ATOM 47 C GLU A 4 80.759 -6.913 -10.084 1.00 0.00 C ATOM 48 O GLU A 4 80.503 -5.876 -10.699 1.00 0.00 O ATOM 49 CB GLU A 4 81.228 -8.996 -11.403 1.00 0.00 C ATOM 50 CG GLU A 4 81.051 -8.645 -12.867 1.00 0.00 C ATOM 51 CD GLU A 4 82.353 -8.221 -13.512 1.00 0.00 C ATOM 52 OE1 GLU A 4 83.363 -8.937 -13.350 1.00 0.00 O ATOM 53 OE2 GLU A 4 82.374 -7.167 -14.174 1.00 0.00 O ATOM 0 H GLU A 4 82.580 -9.457 -9.430 1.00 0.00 H new ATOM 0 HA GLU A 4 82.536 -7.299 -11.197 1.00 0.00 H new ATOM 0 HB2 GLU A 4 81.858 -9.882 -11.324 1.00 0.00 H new ATOM 0 HB3 GLU A 4 80.258 -9.256 -10.980 1.00 0.00 H new ATOM 0 HG2 GLU A 4 80.647 -9.506 -13.399 1.00 0.00 H new ATOM 0 HG3 GLU A 4 80.321 -7.841 -12.961 1.00 0.00 H new ATOM 60 N VAL A 5 80.148 -7.259 -8.957 1.00 0.00 N ATOM 61 CA VAL A 5 79.111 -6.429 -8.355 1.00 0.00 C ATOM 62 C VAL A 5 79.689 -5.089 -7.915 1.00 0.00 C ATOM 63 O VAL A 5 79.083 -4.040 -8.126 1.00 0.00 O ATOM 64 CB VAL A 5 78.466 -7.133 -7.142 1.00 0.00 C ATOM 65 CG1 VAL A 5 77.389 -6.261 -6.509 1.00 0.00 C ATOM 66 CG2 VAL A 5 77.888 -8.476 -7.555 1.00 0.00 C ATOM 0 H VAL A 5 80.354 -8.113 -8.439 1.00 0.00 H new ATOM 0 HA VAL A 5 78.343 -6.262 -9.110 1.00 0.00 H new ATOM 0 HB VAL A 5 79.243 -7.301 -6.397 1.00 0.00 H new ATOM 0 HG11 VAL A 5 76.952 -6.783 -5.657 1.00 0.00 H new ATOM 0 HG12 VAL A 5 77.831 -5.323 -6.172 1.00 0.00 H new ATOM 0 HG13 VAL A 5 76.612 -6.052 -7.244 1.00 0.00 H new ATOM 0 HG21 VAL A 5 77.437 -8.960 -6.689 1.00 0.00 H new ATOM 0 HG22 VAL A 5 77.129 -8.325 -8.322 1.00 0.00 H new ATOM 0 HG23 VAL A 5 78.683 -9.108 -7.951 1.00 0.00 H new ATOM 76 N ILE A 6 80.877 -5.136 -7.325 1.00 0.00 N ATOM 77 CA ILE A 6 81.547 -3.931 -6.854 1.00 0.00 C ATOM 78 C ILE A 6 81.881 -3.017 -8.028 1.00 0.00 C ATOM 79 O ILE A 6 81.701 -1.802 -7.950 1.00 0.00 O ATOM 80 CB ILE A 6 82.841 -4.275 -6.080 1.00 0.00 C ATOM 81 CG1 ILE A 6 82.523 -5.215 -4.912 1.00 0.00 C ATOM 82 CG2 ILE A 6 83.521 -3.006 -5.578 1.00 0.00 C ATOM 83 CD1 ILE A 6 83.744 -5.656 -4.134 1.00 0.00 C ATOM 0 H ILE A 6 81.397 -5.998 -7.161 1.00 0.00 H new ATOM 0 HA ILE A 6 80.866 -3.416 -6.176 1.00 0.00 H new ATOM 0 HB ILE A 6 83.528 -4.782 -6.758 1.00 0.00 H new ATOM 0 HG12 ILE A 6 81.832 -4.715 -4.233 1.00 0.00 H new ATOM 0 HG13 ILE A 6 82.010 -6.097 -5.296 1.00 0.00 H new ATOM 0 HG21 ILE A 6 84.429 -3.270 -5.036 1.00 0.00 H new ATOM 0 HG22 ILE A 6 83.776 -2.370 -6.426 1.00 0.00 H new ATOM 0 HG23 ILE A 6 82.845 -2.470 -4.913 1.00 0.00 H new ATOM 0 HD11 ILE A 6 83.439 -6.319 -3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 6 84.427 -6.185 -4.798 1.00 0.00 H new ATOM 0 HD13 ILE A 6 84.246 -4.782 -3.719 1.00 0.00 H new ATOM 95 N LYS A 7 82.342 -3.617 -9.120 1.00 0.00 N ATOM 96 CA LYS A 7 82.674 -2.874 -10.333 1.00 0.00 C ATOM 97 C LYS A 7 81.465 -2.087 -10.822 1.00 0.00 C ATOM 98 O LYS A 7 81.536 -0.877 -11.040 1.00 0.00 O ATOM 99 CB LYS A 7 83.125 -3.833 -11.434 1.00 0.00 C ATOM 100 CG LYS A 7 84.235 -4.778 -11.012 1.00 0.00 C ATOM 101 CD LYS A 7 84.518 -5.801 -12.097 1.00 0.00 C ATOM 102 CE LYS A 7 85.536 -6.832 -11.645 1.00 0.00 C ATOM 103 NZ LYS A 7 85.742 -7.885 -12.672 1.00 0.00 N ATOM 0 H LYS A 7 82.496 -4.623 -9.191 1.00 0.00 H new ATOM 0 HA LYS A 7 83.484 -2.183 -10.098 1.00 0.00 H new ATOM 0 HB2 LYS A 7 82.268 -4.420 -11.764 1.00 0.00 H new ATOM 0 HB3 LYS A 7 83.463 -3.252 -12.292 1.00 0.00 H new ATOM 0 HG2 LYS A 7 85.140 -4.210 -10.798 1.00 0.00 H new ATOM 0 HG3 LYS A 7 83.953 -5.288 -10.091 1.00 0.00 H new ATOM 0 HD2 LYS A 7 83.591 -6.303 -12.375 1.00 0.00 H new ATOM 0 HD3 LYS A 7 84.886 -5.293 -12.989 1.00 0.00 H new ATOM 0 HE2 LYS A 7 86.485 -6.339 -11.434 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.201 -7.291 -10.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 86.111 -8.745 -12.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 84.836 -8.100 -13.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.423 -7.549 -13.382 1.00 0.00 H new ATOM 117 N GLU A 8 80.350 -2.788 -10.974 1.00 0.00 N ATOM 118 CA GLU A 8 79.122 -2.187 -11.467 1.00 0.00 C ATOM 119 C GLU A 8 78.530 -1.218 -10.449 1.00 0.00 C ATOM 120 O GLU A 8 77.844 -0.269 -10.819 1.00 0.00 O ATOM 121 CB GLU A 8 78.114 -3.274 -11.826 1.00 0.00 C ATOM 122 CG GLU A 8 78.533 -4.104 -13.028 1.00 0.00 C ATOM 123 CD GLU A 8 77.569 -5.230 -13.323 1.00 0.00 C ATOM 124 OE1 GLU A 8 76.372 -4.952 -13.551 1.00 0.00 O ATOM 125 OE2 GLU A 8 77.998 -6.403 -13.313 1.00 0.00 O ATOM 0 H GLU A 8 80.273 -3.782 -10.760 1.00 0.00 H new ATOM 0 HA GLU A 8 79.359 -1.616 -12.365 1.00 0.00 H new ATOM 0 HB2 GLU A 8 77.978 -3.932 -10.968 1.00 0.00 H new ATOM 0 HB3 GLU A 8 77.148 -2.812 -12.030 1.00 0.00 H new ATOM 0 HG2 GLU A 8 78.609 -3.458 -13.902 1.00 0.00 H new ATOM 0 HG3 GLU A 8 79.526 -4.518 -12.851 1.00 0.00 H new ATOM 132 N PHE A 9 78.792 -1.458 -9.172 1.00 0.00 N ATOM 133 CA PHE A 9 78.353 -0.549 -8.119 1.00 0.00 C ATOM 134 C PHE A 9 79.058 0.796 -8.267 1.00 0.00 C ATOM 135 O PHE A 9 78.435 1.855 -8.176 1.00 0.00 O ATOM 136 CB PHE A 9 78.637 -1.153 -6.738 1.00 0.00 C ATOM 137 CG PHE A 9 78.167 -0.303 -5.589 1.00 0.00 C ATOM 138 CD1 PHE A 9 76.827 -0.271 -5.236 1.00 0.00 C ATOM 139 CD2 PHE A 9 79.065 0.465 -4.865 1.00 0.00 C ATOM 140 CE1 PHE A 9 76.393 0.506 -4.180 1.00 0.00 C ATOM 141 CE2 PHE A 9 78.637 1.244 -3.807 1.00 0.00 C ATOM 142 CZ PHE A 9 77.298 1.267 -3.465 1.00 0.00 C ATOM 0 H PHE A 9 79.306 -2.274 -8.839 1.00 0.00 H new ATOM 0 HA PHE A 9 77.278 -0.395 -8.211 1.00 0.00 H new ATOM 0 HB2 PHE A 9 78.157 -2.129 -6.674 1.00 0.00 H new ATOM 0 HB3 PHE A 9 79.710 -1.318 -6.639 1.00 0.00 H new ATOM 0 HD1 PHE A 9 76.114 -0.861 -5.793 1.00 0.00 H new ATOM 0 HD2 PHE A 9 80.112 0.455 -5.131 1.00 0.00 H new ATOM 0 HE1 PHE A 9 75.347 0.519 -3.913 1.00 0.00 H new ATOM 0 HE2 PHE A 9 79.348 1.834 -3.248 1.00 0.00 H new ATOM 0 HZ PHE A 9 76.960 1.878 -2.641 1.00 0.00 H new ATOM 152 N LEU A 10 80.360 0.741 -8.513 1.00 0.00 N ATOM 153 CA LEU A 10 81.156 1.941 -8.734 1.00 0.00 C ATOM 154 C LEU A 10 80.701 2.650 -10.002 1.00 0.00 C ATOM 155 O LEU A 10 80.570 3.874 -10.033 1.00 0.00 O ATOM 156 CB LEU A 10 82.632 1.569 -8.851 1.00 0.00 C ATOM 157 CG LEU A 10 83.207 0.829 -7.644 1.00 0.00 C ATOM 158 CD1 LEU A 10 84.582 0.278 -7.970 1.00 0.00 C ATOM 159 CD2 LEU A 10 83.269 1.752 -6.436 1.00 0.00 C ATOM 0 H LEU A 10 80.891 -0.129 -8.565 1.00 0.00 H new ATOM 0 HA LEU A 10 81.020 2.613 -7.887 1.00 0.00 H new ATOM 0 HB2 LEU A 10 82.766 0.948 -9.737 1.00 0.00 H new ATOM 0 HB3 LEU A 10 83.210 2.480 -9.009 1.00 0.00 H new ATOM 0 HG LEU A 10 82.551 -0.007 -7.402 1.00 0.00 H new ATOM 0 HD11 LEU A 10 84.979 -0.247 -7.101 1.00 0.00 H new ATOM 0 HD12 LEU A 10 84.507 -0.414 -8.809 1.00 0.00 H new ATOM 0 HD13 LEU A 10 85.249 1.098 -8.235 1.00 0.00 H new ATOM 0 HD21 LEU A 10 83.681 1.210 -5.585 1.00 0.00 H new ATOM 0 HD22 LEU A 10 83.905 2.607 -6.664 1.00 0.00 H new ATOM 0 HD23 LEU A 10 82.265 2.101 -6.193 1.00 0.00 H new ATOM 171 N GLU A 11 80.453 1.864 -11.040 1.00 0.00 N ATOM 172 CA GLU A 11 79.982 2.386 -12.315 1.00 0.00 C ATOM 173 C GLU A 11 78.608 3.035 -12.153 1.00 0.00 C ATOM 174 O GLU A 11 78.320 4.072 -12.752 1.00 0.00 O ATOM 175 CB GLU A 11 79.930 1.248 -13.340 1.00 0.00 C ATOM 176 CG GLU A 11 79.570 1.689 -14.746 1.00 0.00 C ATOM 177 CD GLU A 11 79.644 0.549 -15.740 1.00 0.00 C ATOM 178 OE1 GLU A 11 78.625 -0.148 -15.934 1.00 0.00 O ATOM 179 OE2 GLU A 11 80.720 0.339 -16.331 1.00 0.00 O ATOM 0 H GLU A 11 80.572 0.851 -11.023 1.00 0.00 H new ATOM 0 HA GLU A 11 80.672 3.152 -12.669 1.00 0.00 H new ATOM 0 HB2 GLU A 11 80.901 0.753 -13.365 1.00 0.00 H new ATOM 0 HB3 GLU A 11 79.203 0.508 -13.007 1.00 0.00 H new ATOM 0 HG2 GLU A 11 78.563 2.105 -14.748 1.00 0.00 H new ATOM 0 HG3 GLU A 11 80.245 2.486 -15.059 1.00 0.00 H new ATOM 186 N ASP A 12 77.776 2.423 -11.319 1.00 0.00 N ATOM 187 CA ASP A 12 76.435 2.928 -11.040 1.00 0.00 C ATOM 188 C ASP A 12 76.492 4.301 -10.380 1.00 0.00 C ATOM 189 O ASP A 12 75.834 5.240 -10.827 1.00 0.00 O ATOM 190 CB ASP A 12 75.681 1.946 -10.138 1.00 0.00 C ATOM 191 CG ASP A 12 74.315 2.453 -9.720 1.00 0.00 C ATOM 192 OD1 ASP A 12 73.333 2.205 -10.449 1.00 0.00 O ATOM 193 OD2 ASP A 12 74.214 3.084 -8.650 1.00 0.00 O ATOM 0 H ASP A 12 78.010 1.566 -10.818 1.00 0.00 H new ATOM 0 HA ASP A 12 75.906 3.027 -11.988 1.00 0.00 H new ATOM 0 HB2 ASP A 12 75.565 0.997 -10.661 1.00 0.00 H new ATOM 0 HB3 ASP A 12 76.277 1.749 -9.247 1.00 0.00 H new ATOM 198 N ILE A 13 77.295 4.421 -9.327 1.00 0.00 N ATOM 199 CA ILE A 13 77.408 5.681 -8.594 1.00 0.00 C ATOM 200 C ILE A 13 78.304 6.676 -9.331 1.00 0.00 C ATOM 201 O ILE A 13 78.426 7.833 -8.927 1.00 0.00 O ATOM 202 CB ILE A 13 77.946 5.471 -7.161 1.00 0.00 C ATOM 203 CG1 ILE A 13 79.345 4.848 -7.191 1.00 0.00 C ATOM 204 CG2 ILE A 13 76.985 4.600 -6.362 1.00 0.00 C ATOM 205 CD1 ILE A 13 79.970 4.682 -5.821 1.00 0.00 C ATOM 0 H ILE A 13 77.875 3.666 -8.962 1.00 0.00 H new ATOM 0 HA ILE A 13 76.399 6.089 -8.528 1.00 0.00 H new ATOM 0 HB ILE A 13 78.022 6.443 -6.674 1.00 0.00 H new ATOM 0 HG12 ILE A 13 79.288 3.873 -7.675 1.00 0.00 H new ATOM 0 HG13 ILE A 13 79.997 5.470 -7.804 1.00 0.00 H new ATOM 0 HG21 ILE A 13 77.374 4.459 -5.354 1.00 0.00 H new ATOM 0 HG22 ILE A 13 76.011 5.086 -6.310 1.00 0.00 H new ATOM 0 HG23 ILE A 13 76.881 3.631 -6.850 1.00 0.00 H new ATOM 0 HD11 ILE A 13 80.959 4.235 -5.924 1.00 0.00 H new ATOM 0 HD12 ILE A 13 80.061 5.657 -5.342 1.00 0.00 H new ATOM 0 HD13 ILE A 13 79.341 4.035 -5.210 1.00 0.00 H new ATOM 217 N GLY A 14 78.938 6.214 -10.404 1.00 0.00 N ATOM 218 CA GLY A 14 79.767 7.084 -11.218 1.00 0.00 C ATOM 219 C GLY A 14 81.105 7.385 -10.573 1.00 0.00 C ATOM 220 O GLY A 14 81.621 8.497 -10.686 1.00 0.00 O ATOM 0 H GLY A 14 78.892 5.247 -10.726 1.00 0.00 H new ATOM 0 HA2 GLY A 14 79.933 6.617 -12.189 1.00 0.00 H new ATOM 0 HA3 GLY A 14 79.237 8.019 -11.400 1.00 0.00 H new ATOM 224 N GLU A 15 81.663 6.400 -9.892 1.00 0.00 N ATOM 225 CA GLU A 15 82.954 6.559 -9.238 1.00 0.00 C ATOM 226 C GLU A 15 84.055 6.030 -10.153 1.00 0.00 C ATOM 227 O GLU A 15 83.784 5.225 -11.048 1.00 0.00 O ATOM 228 CB GLU A 15 82.954 5.829 -7.888 1.00 0.00 C ATOM 229 CG GLU A 15 84.206 6.055 -7.054 1.00 0.00 C ATOM 230 CD GLU A 15 84.539 7.524 -6.879 1.00 0.00 C ATOM 231 OE1 GLU A 15 83.820 8.218 -6.134 1.00 0.00 O ATOM 232 OE2 GLU A 15 85.529 7.985 -7.487 1.00 0.00 O ATOM 0 H GLU A 15 81.242 5.478 -9.776 1.00 0.00 H new ATOM 0 HA GLU A 15 83.142 7.615 -9.046 1.00 0.00 H new ATOM 0 HB2 GLU A 15 82.086 6.152 -7.314 1.00 0.00 H new ATOM 0 HB3 GLU A 15 82.838 4.760 -8.066 1.00 0.00 H new ATOM 0 HG2 GLU A 15 84.071 5.599 -6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 15 85.048 5.550 -7.527 1.00 0.00 H new ATOM 239 N ASP A 16 85.280 6.492 -9.948 1.00 0.00 N ATOM 240 CA ASP A 16 86.392 6.094 -10.803 1.00 0.00 C ATOM 241 C ASP A 16 86.822 4.662 -10.512 1.00 0.00 C ATOM 242 O ASP A 16 87.160 4.315 -9.379 1.00 0.00 O ATOM 243 CB ASP A 16 87.582 7.041 -10.639 1.00 0.00 C ATOM 244 CG ASP A 16 88.728 6.682 -11.566 1.00 0.00 C ATOM 245 OD1 ASP A 16 88.527 6.705 -12.803 1.00 0.00 O ATOM 246 OD2 ASP A 16 89.832 6.381 -11.069 1.00 0.00 O ATOM 0 H ASP A 16 85.530 7.140 -9.201 1.00 0.00 H new ATOM 0 HA ASP A 16 86.045 6.150 -11.835 1.00 0.00 H new ATOM 0 HB2 ASP A 16 87.261 8.063 -10.839 1.00 0.00 H new ATOM 0 HB3 ASP A 16 87.929 7.011 -9.606 1.00 0.00 H new ATOM 251 N TYR A 17 86.795 3.840 -11.547 1.00 0.00 N ATOM 252 CA TYR A 17 87.180 2.444 -11.441 1.00 0.00 C ATOM 253 C TYR A 17 88.545 2.231 -12.079 1.00 0.00 C ATOM 254 O TYR A 17 88.732 2.509 -13.263 1.00 0.00 O ATOM 255 CB TYR A 17 86.136 1.554 -12.130 1.00 0.00 C ATOM 256 CG TYR A 17 86.474 0.077 -12.133 1.00 0.00 C ATOM 257 CD1 TYR A 17 86.267 -0.702 -11.005 1.00 0.00 C ATOM 258 CD2 TYR A 17 86.991 -0.538 -13.269 1.00 0.00 C ATOM 259 CE1 TYR A 17 86.566 -2.048 -11.005 1.00 0.00 C ATOM 260 CE2 TYR A 17 87.290 -1.890 -13.276 1.00 0.00 C ATOM 261 CZ TYR A 17 87.076 -2.640 -12.139 1.00 0.00 C ATOM 262 OH TYR A 17 87.361 -3.988 -12.133 1.00 0.00 O ATOM 0 H TYR A 17 86.506 4.122 -12.484 1.00 0.00 H new ATOM 0 HA TYR A 17 87.234 2.173 -10.387 1.00 0.00 H new ATOM 0 HB2 TYR A 17 85.175 1.693 -11.635 1.00 0.00 H new ATOM 0 HB3 TYR A 17 86.015 1.888 -13.160 1.00 0.00 H new ATOM 0 HD1 TYR A 17 85.865 -0.247 -10.112 1.00 0.00 H new ATOM 0 HD2 TYR A 17 87.162 0.049 -14.160 1.00 0.00 H new ATOM 0 HE1 TYR A 17 86.400 -2.638 -10.116 1.00 0.00 H new ATOM 0 HE2 TYR A 17 87.688 -2.354 -14.166 1.00 0.00 H new ATOM 0 HH TYR A 17 88.183 -4.151 -12.641 1.00 0.00 H new ATOM 272 N ILE A 18 89.502 1.766 -11.295 1.00 0.00 N ATOM 273 CA ILE A 18 90.808 1.431 -11.833 1.00 0.00 C ATOM 274 C ILE A 18 91.244 0.053 -11.359 1.00 0.00 C ATOM 275 O ILE A 18 91.319 -0.218 -10.157 1.00 0.00 O ATOM 276 CB ILE A 18 91.883 2.489 -11.480 1.00 0.00 C ATOM 277 CG1 ILE A 18 93.206 2.161 -12.183 1.00 0.00 C ATOM 278 CG2 ILE A 18 92.085 2.602 -9.978 1.00 0.00 C ATOM 279 CD1 ILE A 18 94.289 3.196 -11.962 1.00 0.00 C ATOM 0 H ILE A 18 89.401 1.613 -10.292 1.00 0.00 H new ATOM 0 HA ILE A 18 90.711 1.422 -12.919 1.00 0.00 H new ATOM 0 HB ILE A 18 91.528 3.456 -11.835 1.00 0.00 H new ATOM 0 HG12 ILE A 18 93.564 1.194 -11.831 1.00 0.00 H new ATOM 0 HG13 ILE A 18 93.023 2.063 -13.253 1.00 0.00 H new ATOM 0 HG21 ILE A 18 92.846 3.354 -9.769 1.00 0.00 H new ATOM 0 HG22 ILE A 18 91.147 2.894 -9.506 1.00 0.00 H new ATOM 0 HG23 ILE A 18 92.407 1.639 -9.581 1.00 0.00 H new ATOM 0 HD11 ILE A 18 95.194 2.894 -12.490 1.00 0.00 H new ATOM 0 HD12 ILE A 18 93.953 4.161 -12.341 1.00 0.00 H new ATOM 0 HD13 ILE A 18 94.501 3.278 -10.896 1.00 0.00 H new ATOM 291 N GLU A 19 91.494 -0.825 -12.309 1.00 0.00 N ATOM 292 CA GLU A 19 91.939 -2.163 -11.995 1.00 0.00 C ATOM 293 C GLU A 19 93.404 -2.326 -12.368 1.00 0.00 C ATOM 294 O GLU A 19 93.759 -2.374 -13.546 1.00 0.00 O ATOM 295 CB GLU A 19 91.093 -3.199 -12.727 1.00 0.00 C ATOM 296 CG GLU A 19 91.299 -4.608 -12.207 1.00 0.00 C ATOM 297 CD GLU A 19 90.657 -5.649 -13.090 1.00 0.00 C ATOM 298 OE1 GLU A 19 89.418 -5.637 -13.226 1.00 0.00 O ATOM 299 OE2 GLU A 19 91.397 -6.477 -13.660 1.00 0.00 O ATOM 0 H GLU A 19 91.396 -0.633 -13.306 1.00 0.00 H new ATOM 0 HA GLU A 19 91.825 -2.322 -10.923 1.00 0.00 H new ATOM 0 HB2 GLU A 19 90.040 -2.933 -12.632 1.00 0.00 H new ATOM 0 HB3 GLU A 19 91.334 -3.171 -13.790 1.00 0.00 H new ATOM 0 HG2 GLU A 19 92.367 -4.811 -12.129 1.00 0.00 H new ATOM 0 HG3 GLU A 19 90.886 -4.685 -11.201 1.00 0.00 H new ATOM 306 N LEU A 20 94.250 -2.398 -11.360 1.00 0.00 N ATOM 307 CA LEU A 20 95.672 -2.580 -11.565 1.00 0.00 C ATOM 308 C LEU A 20 96.005 -4.064 -11.507 1.00 0.00 C ATOM 309 O LEU A 20 96.517 -4.558 -10.502 1.00 0.00 O ATOM 310 CB LEU A 20 96.463 -1.811 -10.506 1.00 0.00 C ATOM 311 CG LEU A 20 97.965 -1.694 -10.770 1.00 0.00 C ATOM 312 CD1 LEU A 20 98.222 -0.980 -12.086 1.00 0.00 C ATOM 313 CD2 LEU A 20 98.644 -0.960 -9.625 1.00 0.00 C ATOM 0 H LEU A 20 93.973 -2.332 -10.381 1.00 0.00 H new ATOM 0 HA LEU A 20 95.948 -2.191 -12.545 1.00 0.00 H new ATOM 0 HB2 LEU A 20 96.046 -0.807 -10.422 1.00 0.00 H new ATOM 0 HB3 LEU A 20 96.317 -2.298 -9.542 1.00 0.00 H new ATOM 0 HG LEU A 20 98.384 -2.698 -10.838 1.00 0.00 H new ATOM 0 HD11 LEU A 20 99.296 -0.906 -12.256 1.00 0.00 H new ATOM 0 HD12 LEU A 20 97.763 -1.541 -12.900 1.00 0.00 H new ATOM 0 HD13 LEU A 20 97.791 0.021 -12.047 1.00 0.00 H new ATOM 0 HD21 LEU A 20 99.713 -0.883 -9.825 1.00 0.00 H new ATOM 0 HD22 LEU A 20 98.220 0.040 -9.531 1.00 0.00 H new ATOM 0 HD23 LEU A 20 98.487 -1.509 -8.697 1.00 0.00 H new ATOM 325 N GLU A 21 95.663 -4.769 -12.583 1.00 0.00 N ATOM 326 CA GLU A 21 95.858 -6.213 -12.675 1.00 0.00 C ATOM 327 C GLU A 21 95.096 -6.928 -11.563 1.00 0.00 C ATOM 328 O GLU A 21 95.687 -7.419 -10.599 1.00 0.00 O ATOM 329 CB GLU A 21 97.342 -6.574 -12.625 1.00 0.00 C ATOM 330 CG GLU A 21 98.178 -5.848 -13.663 1.00 0.00 C ATOM 331 CD GLU A 21 99.646 -6.187 -13.555 1.00 0.00 C ATOM 332 OE1 GLU A 21 100.320 -5.642 -12.655 1.00 0.00 O ATOM 333 OE2 GLU A 21 100.129 -7.008 -14.362 1.00 0.00 O ATOM 0 H GLU A 21 95.243 -4.355 -13.415 1.00 0.00 H new ATOM 0 HA GLU A 21 95.464 -6.544 -13.636 1.00 0.00 H new ATOM 0 HB2 GLU A 21 97.730 -6.345 -11.633 1.00 0.00 H new ATOM 0 HB3 GLU A 21 97.451 -7.649 -12.769 1.00 0.00 H new ATOM 0 HG2 GLU A 21 97.820 -6.106 -14.660 1.00 0.00 H new ATOM 0 HG3 GLU A 21 98.046 -4.772 -13.545 1.00 0.00 H new ATOM 340 N ASN A 22 93.774 -6.937 -11.699 1.00 0.00 N ATOM 341 CA ASN A 22 92.875 -7.604 -10.752 1.00 0.00 C ATOM 342 C ASN A 22 92.855 -6.905 -9.391 1.00 0.00 C ATOM 343 O ASN A 22 92.325 -7.448 -8.419 1.00 0.00 O ATOM 344 CB ASN A 22 93.248 -9.082 -10.574 1.00 0.00 C ATOM 345 CG ASN A 22 93.172 -9.880 -11.864 1.00 0.00 C ATOM 346 OD1 ASN A 22 93.897 -10.861 -12.036 1.00 0.00 O ATOM 347 ND2 ASN A 22 92.299 -9.478 -12.777 1.00 0.00 N ATOM 0 H ASN A 22 93.289 -6.481 -12.472 1.00 0.00 H new ATOM 0 HA ASN A 22 91.874 -7.543 -11.179 1.00 0.00 H new ATOM 0 HB2 ASN A 22 94.259 -9.149 -10.173 1.00 0.00 H new ATOM 0 HB3 ASN A 22 92.582 -9.531 -9.837 1.00 0.00 H new ATOM 0 HD21 ASN A 22 92.211 -9.986 -13.657 1.00 0.00 H new ATOM 0 HD22 ASN A 22 91.715 -8.661 -12.599 1.00 0.00 H new ATOM 354 N GLU A 23 93.427 -5.709 -9.319 1.00 0.00 N ATOM 355 CA GLU A 23 93.357 -4.913 -8.101 1.00 0.00 C ATOM 356 C GLU A 23 92.565 -3.643 -8.346 1.00 0.00 C ATOM 357 O GLU A 23 93.004 -2.765 -9.085 1.00 0.00 O ATOM 358 CB GLU A 23 94.746 -4.524 -7.603 1.00 0.00 C ATOM 359 CG GLU A 23 95.584 -5.673 -7.081 1.00 0.00 C ATOM 360 CD GLU A 23 96.798 -5.170 -6.328 1.00 0.00 C ATOM 361 OE1 GLU A 23 97.188 -3.999 -6.538 1.00 0.00 O ATOM 362 OE2 GLU A 23 97.350 -5.932 -5.505 1.00 0.00 O ATOM 0 H GLU A 23 93.941 -5.272 -10.084 1.00 0.00 H new ATOM 0 HA GLU A 23 92.866 -5.527 -7.346 1.00 0.00 H new ATOM 0 HB2 GLU A 23 95.286 -4.041 -8.418 1.00 0.00 H new ATOM 0 HB3 GLU A 23 94.637 -3.784 -6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 23 94.979 -6.298 -6.424 1.00 0.00 H new ATOM 0 HG3 GLU A 23 95.904 -6.300 -7.913 1.00 0.00 H new ATOM 369 N ILE A 24 91.423 -3.525 -7.708 1.00 0.00 N ATOM 370 CA ILE A 24 90.623 -2.324 -7.833 1.00 0.00 C ATOM 371 C ILE A 24 91.088 -1.305 -6.805 1.00 0.00 C ATOM 372 O ILE A 24 90.891 -1.492 -5.609 1.00 0.00 O ATOM 373 CB ILE A 24 89.122 -2.604 -7.630 1.00 0.00 C ATOM 374 CG1 ILE A 24 88.670 -3.776 -8.507 1.00 0.00 C ATOM 375 CG2 ILE A 24 88.315 -1.352 -7.954 1.00 0.00 C ATOM 376 CD1 ILE A 24 87.239 -4.207 -8.260 1.00 0.00 C ATOM 0 H ILE A 24 91.027 -4.241 -7.099 1.00 0.00 H new ATOM 0 HA ILE A 24 90.754 -1.939 -8.844 1.00 0.00 H new ATOM 0 HB ILE A 24 88.951 -2.875 -6.588 1.00 0.00 H new ATOM 0 HG12 ILE A 24 88.780 -3.497 -9.555 1.00 0.00 H new ATOM 0 HG13 ILE A 24 89.331 -4.625 -8.332 1.00 0.00 H new ATOM 0 HG21 ILE A 24 87.254 -1.555 -7.809 1.00 0.00 H new ATOM 0 HG22 ILE A 24 88.622 -0.540 -7.295 1.00 0.00 H new ATOM 0 HG23 ILE A 24 88.491 -1.064 -8.990 1.00 0.00 H new ATOM 0 HD11 ILE A 24 86.992 -5.041 -8.917 1.00 0.00 H new ATOM 0 HD12 ILE A 24 87.127 -4.518 -7.221 1.00 0.00 H new ATOM 0 HD13 ILE A 24 86.568 -3.373 -8.463 1.00 0.00 H new ATOM 388 N HIS A 25 91.729 -0.244 -7.263 1.00 0.00 N ATOM 389 CA HIS A 25 92.243 0.768 -6.350 1.00 0.00 C ATOM 390 C HIS A 25 91.240 1.906 -6.237 1.00 0.00 C ATOM 391 O HIS A 25 91.023 2.647 -7.190 1.00 0.00 O ATOM 392 CB HIS A 25 93.613 1.280 -6.811 1.00 0.00 C ATOM 393 CG HIS A 25 94.734 0.295 -6.603 1.00 0.00 C ATOM 394 ND1 HIS A 25 95.791 0.530 -5.752 1.00 0.00 N ATOM 395 CD2 HIS A 25 94.962 -0.931 -7.144 1.00 0.00 C ATOM 396 CE1 HIS A 25 96.618 -0.502 -5.775 1.00 0.00 C ATOM 397 NE2 HIS A 25 96.139 -1.403 -6.611 1.00 0.00 N ATOM 0 H HIS A 25 91.906 -0.059 -8.250 1.00 0.00 H new ATOM 0 HA HIS A 25 92.380 0.321 -5.365 1.00 0.00 H new ATOM 0 HB2 HIS A 25 93.558 1.534 -7.869 1.00 0.00 H new ATOM 0 HB3 HIS A 25 93.846 2.199 -6.274 1.00 0.00 H new ATOM 0 HD2 HIS A 25 94.335 -1.441 -7.860 1.00 0.00 H new ATOM 0 HE1 HIS A 25 97.531 -0.592 -5.205 1.00 0.00 H new ATOM 0 HE2 HIS A 25 96.570 -2.302 -6.827 1.00 0.00 H new ATOM 406 N LEU A 26 90.621 2.037 -5.079 1.00 0.00 N ATOM 407 CA LEU A 26 89.507 2.961 -4.928 1.00 0.00 C ATOM 408 C LEU A 26 89.829 4.119 -4.003 1.00 0.00 C ATOM 409 O LEU A 26 90.799 4.084 -3.242 1.00 0.00 O ATOM 410 CB LEU A 26 88.273 2.224 -4.408 1.00 0.00 C ATOM 411 CG LEU A 26 87.663 1.225 -5.384 1.00 0.00 C ATOM 412 CD1 LEU A 26 86.420 0.589 -4.783 1.00 0.00 C ATOM 413 CD2 LEU A 26 87.333 1.915 -6.700 1.00 0.00 C ATOM 0 H LEU A 26 90.866 1.521 -4.234 1.00 0.00 H new ATOM 0 HA LEU A 26 89.308 3.374 -5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 26 88.541 1.697 -3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 26 87.514 2.960 -4.142 1.00 0.00 H new ATOM 0 HG LEU A 26 88.388 0.435 -5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 26 85.996 -0.122 -5.492 1.00 0.00 H new ATOM 0 HD12 LEU A 26 86.686 0.069 -3.863 1.00 0.00 H new ATOM 0 HD13 LEU A 26 85.685 1.363 -4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 26 86.898 1.193 -7.390 1.00 0.00 H new ATOM 0 HD22 LEU A 26 86.620 2.720 -6.520 1.00 0.00 H new ATOM 0 HD23 LEU A 26 88.244 2.327 -7.133 1.00 0.00 H new ATOM 425 N LYS A 27 89.001 5.147 -4.103 1.00 0.00 N ATOM 426 CA LYS A 27 89.049 6.294 -3.214 1.00 0.00 C ATOM 427 C LYS A 27 88.758 5.848 -1.783 1.00 0.00 C ATOM 428 O LYS A 27 87.774 5.149 -1.550 1.00 0.00 O ATOM 429 CB LYS A 27 87.992 7.302 -3.665 1.00 0.00 C ATOM 430 CG LYS A 27 88.039 8.637 -2.947 1.00 0.00 C ATOM 431 CD LYS A 27 86.777 9.435 -3.222 1.00 0.00 C ATOM 432 CE LYS A 27 86.951 10.904 -2.885 1.00 0.00 C ATOM 433 NZ LYS A 27 87.904 11.570 -3.811 1.00 0.00 N ATOM 0 H LYS A 27 88.270 5.208 -4.811 1.00 0.00 H new ATOM 0 HA LYS A 27 90.038 6.751 -3.246 1.00 0.00 H new ATOM 0 HB2 LYS A 27 88.109 7.476 -4.735 1.00 0.00 H new ATOM 0 HB3 LYS A 27 87.005 6.862 -3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 27 88.148 8.476 -1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 27 88.912 9.202 -3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 27 86.505 9.333 -4.273 1.00 0.00 H new ATOM 0 HD3 LYS A 27 85.953 9.024 -2.638 1.00 0.00 H new ATOM 0 HE2 LYS A 27 85.985 11.406 -2.934 1.00 0.00 H new ATOM 0 HE3 LYS A 27 87.310 11.003 -1.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 87.752 12.599 -3.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 88.879 11.356 -3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 87.749 11.222 -4.779 1.00 0.00 H new ATOM 447 N PRO A 28 89.606 6.232 -0.814 1.00 0.00 N ATOM 448 CA PRO A 28 89.430 5.854 0.599 1.00 0.00 C ATOM 449 C PRO A 28 88.025 6.160 1.116 1.00 0.00 C ATOM 450 O PRO A 28 87.436 5.360 1.845 1.00 0.00 O ATOM 451 CB PRO A 28 90.473 6.705 1.325 1.00 0.00 C ATOM 452 CG PRO A 28 91.529 6.953 0.306 1.00 0.00 C ATOM 453 CD PRO A 28 90.815 7.054 -1.012 1.00 0.00 C ATOM 0 HA PRO A 28 89.555 4.782 0.754 1.00 0.00 H new ATOM 0 HB2 PRO A 28 90.042 7.639 1.685 1.00 0.00 H new ATOM 0 HB3 PRO A 28 90.875 6.184 2.194 1.00 0.00 H new ATOM 0 HG2 PRO A 28 92.075 7.870 0.525 1.00 0.00 H new ATOM 0 HG3 PRO A 28 92.258 6.143 0.294 1.00 0.00 H new ATOM 0 HD2 PRO A 28 90.563 8.087 -1.254 1.00 0.00 H new ATOM 0 HD3 PRO A 28 91.428 6.676 -1.830 1.00 0.00 H new ATOM 461 N GLU A 29 87.500 7.319 0.729 1.00 0.00 N ATOM 462 CA GLU A 29 86.135 7.713 1.069 1.00 0.00 C ATOM 463 C GLU A 29 85.130 6.641 0.648 1.00 0.00 C ATOM 464 O GLU A 29 84.350 6.150 1.466 1.00 0.00 O ATOM 465 CB GLU A 29 85.796 9.041 0.386 1.00 0.00 C ATOM 466 CG GLU A 29 84.331 9.435 0.487 1.00 0.00 C ATOM 467 CD GLU A 29 84.016 10.701 -0.280 1.00 0.00 C ATOM 468 OE1 GLU A 29 84.077 10.677 -1.526 1.00 0.00 O ATOM 469 OE2 GLU A 29 83.716 11.729 0.363 1.00 0.00 O ATOM 0 H GLU A 29 88.005 8.009 0.173 1.00 0.00 H new ATOM 0 HA GLU A 29 86.072 7.831 2.151 1.00 0.00 H new ATOM 0 HB2 GLU A 29 86.405 9.830 0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 29 86.072 8.977 -0.666 1.00 0.00 H new ATOM 0 HG2 GLU A 29 83.713 8.621 0.108 1.00 0.00 H new ATOM 0 HG3 GLU A 29 84.067 9.574 1.535 1.00 0.00 H new ATOM 476 N VAL A 30 85.171 6.282 -0.628 1.00 0.00 N ATOM 477 CA VAL A 30 84.241 5.309 -1.186 1.00 0.00 C ATOM 478 C VAL A 30 84.528 3.915 -0.641 1.00 0.00 C ATOM 479 O VAL A 30 83.609 3.170 -0.303 1.00 0.00 O ATOM 480 CB VAL A 30 84.319 5.287 -2.728 1.00 0.00 C ATOM 481 CG1 VAL A 30 83.307 4.313 -3.313 1.00 0.00 C ATOM 482 CG2 VAL A 30 84.100 6.684 -3.286 1.00 0.00 C ATOM 0 H VAL A 30 85.843 6.653 -1.300 1.00 0.00 H new ATOM 0 HA VAL A 30 83.236 5.608 -0.890 1.00 0.00 H new ATOM 0 HB VAL A 30 85.315 4.948 -3.014 1.00 0.00 H new ATOM 0 HG11 VAL A 30 83.384 4.318 -4.400 1.00 0.00 H new ATOM 0 HG12 VAL A 30 83.510 3.309 -2.939 1.00 0.00 H new ATOM 0 HG13 VAL A 30 82.301 4.613 -3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 30 84.158 6.654 -4.374 1.00 0.00 H new ATOM 0 HG22 VAL A 30 83.117 7.046 -2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 30 84.868 7.354 -2.900 1.00 0.00 H new ATOM 492 N PHE A 31 85.810 3.586 -0.540 1.00 0.00 N ATOM 493 CA PHE A 31 86.252 2.296 -0.019 1.00 0.00 C ATOM 494 C PHE A 31 85.640 2.037 1.354 1.00 0.00 C ATOM 495 O PHE A 31 85.191 0.932 1.643 1.00 0.00 O ATOM 496 CB PHE A 31 87.782 2.274 0.069 1.00 0.00 C ATOM 497 CG PHE A 31 88.364 0.967 0.537 1.00 0.00 C ATOM 498 CD1 PHE A 31 88.504 0.695 1.889 1.00 0.00 C ATOM 499 CD2 PHE A 31 88.793 0.021 -0.378 1.00 0.00 C ATOM 500 CE1 PHE A 31 89.052 -0.499 2.319 1.00 0.00 C ATOM 501 CE2 PHE A 31 89.344 -1.173 0.046 1.00 0.00 C ATOM 502 CZ PHE A 31 89.475 -1.432 1.396 1.00 0.00 C ATOM 0 H PHE A 31 86.573 4.204 -0.816 1.00 0.00 H new ATOM 0 HA PHE A 31 85.921 1.508 -0.695 1.00 0.00 H new ATOM 0 HB2 PHE A 31 88.193 2.509 -0.913 1.00 0.00 H new ATOM 0 HB3 PHE A 31 88.105 3.064 0.747 1.00 0.00 H new ATOM 0 HD1 PHE A 31 88.181 1.425 2.616 1.00 0.00 H new ATOM 0 HD2 PHE A 31 88.696 0.218 -1.435 1.00 0.00 H new ATOM 0 HE1 PHE A 31 89.149 -0.701 3.376 1.00 0.00 H new ATOM 0 HE2 PHE A 31 89.672 -1.904 -0.678 1.00 0.00 H new ATOM 0 HZ PHE A 31 89.908 -2.364 1.728 1.00 0.00 H new ATOM 512 N TYR A 32 85.615 3.075 2.182 1.00 0.00 N ATOM 513 CA TYR A 32 85.077 2.981 3.531 1.00 0.00 C ATOM 514 C TYR A 32 83.610 2.549 3.522 1.00 0.00 C ATOM 515 O TYR A 32 83.193 1.710 4.324 1.00 0.00 O ATOM 516 CB TYR A 32 85.229 4.328 4.243 1.00 0.00 C ATOM 517 CG TYR A 32 84.608 4.361 5.618 1.00 0.00 C ATOM 518 CD1 TYR A 32 85.190 3.680 6.679 1.00 0.00 C ATOM 519 CD2 TYR A 32 83.433 5.061 5.851 1.00 0.00 C ATOM 520 CE1 TYR A 32 84.617 3.698 7.934 1.00 0.00 C ATOM 521 CE2 TYR A 32 82.854 5.082 7.103 1.00 0.00 C ATOM 522 CZ TYR A 32 83.451 4.400 8.140 1.00 0.00 C ATOM 523 OH TYR A 32 82.874 4.412 9.384 1.00 0.00 O ATOM 0 H TYR A 32 85.966 4.001 1.937 1.00 0.00 H new ATOM 0 HA TYR A 32 85.641 2.219 4.069 1.00 0.00 H new ATOM 0 HB2 TYR A 32 86.289 4.567 4.327 1.00 0.00 H new ATOM 0 HB3 TYR A 32 84.774 5.106 3.630 1.00 0.00 H new ATOM 0 HD1 TYR A 32 86.105 3.128 6.520 1.00 0.00 H new ATOM 0 HD2 TYR A 32 82.964 5.598 5.040 1.00 0.00 H new ATOM 0 HE1 TYR A 32 85.081 3.164 8.750 1.00 0.00 H new ATOM 0 HE2 TYR A 32 81.938 5.630 7.269 1.00 0.00 H new ATOM 0 HH TYR A 32 83.501 4.795 10.032 1.00 0.00 H new ATOM 533 N GLU A 33 82.832 3.115 2.612 1.00 0.00 N ATOM 534 CA GLU A 33 81.411 2.808 2.541 1.00 0.00 C ATOM 535 C GLU A 33 81.173 1.465 1.857 1.00 0.00 C ATOM 536 O GLU A 33 80.289 0.707 2.259 1.00 0.00 O ATOM 537 CB GLU A 33 80.658 3.928 1.828 1.00 0.00 C ATOM 538 CG GLU A 33 80.706 5.244 2.587 1.00 0.00 C ATOM 539 CD GLU A 33 79.847 6.317 1.958 1.00 0.00 C ATOM 540 OE1 GLU A 33 78.606 6.225 2.065 1.00 0.00 O ATOM 541 OE2 GLU A 33 80.405 7.262 1.367 1.00 0.00 O ATOM 0 H GLU A 33 83.158 3.786 1.916 1.00 0.00 H new ATOM 0 HA GLU A 33 81.027 2.732 3.558 1.00 0.00 H new ATOM 0 HB2 GLU A 33 81.083 4.071 0.835 1.00 0.00 H new ATOM 0 HB3 GLU A 33 79.618 3.631 1.690 1.00 0.00 H new ATOM 0 HG2 GLU A 33 80.378 5.078 3.613 1.00 0.00 H new ATOM 0 HG3 GLU A 33 81.738 5.593 2.635 1.00 0.00 H new ATOM 548 N VAL A 34 81.974 1.164 0.840 1.00 0.00 N ATOM 549 CA VAL A 34 81.909 -0.139 0.180 1.00 0.00 C ATOM 550 C VAL A 34 82.263 -1.242 1.174 1.00 0.00 C ATOM 551 O VAL A 34 81.673 -2.323 1.161 1.00 0.00 O ATOM 552 CB VAL A 34 82.856 -0.213 -1.042 1.00 0.00 C ATOM 553 CG1 VAL A 34 82.851 -1.605 -1.659 1.00 0.00 C ATOM 554 CG2 VAL A 34 82.466 0.825 -2.084 1.00 0.00 C ATOM 0 H VAL A 34 82.673 1.800 0.455 1.00 0.00 H new ATOM 0 HA VAL A 34 80.889 -0.278 -0.179 1.00 0.00 H new ATOM 0 HB VAL A 34 83.866 0.001 -0.694 1.00 0.00 H new ATOM 0 HG11 VAL A 34 83.525 -1.626 -2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 34 83.182 -2.333 -0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 34 81.842 -1.854 -1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 34 83.143 0.758 -2.936 1.00 0.00 H new ATOM 0 HG22 VAL A 34 81.445 0.640 -2.417 1.00 0.00 H new ATOM 0 HG23 VAL A 34 82.531 1.821 -1.647 1.00 0.00 H new ATOM 564 N TRP A 35 83.214 -0.939 2.049 1.00 0.00 N ATOM 565 CA TRP A 35 83.618 -1.845 3.115 1.00 0.00 C ATOM 566 C TRP A 35 82.416 -2.240 3.973 1.00 0.00 C ATOM 567 O TRP A 35 82.232 -3.413 4.293 1.00 0.00 O ATOM 568 CB TRP A 35 84.701 -1.172 3.969 1.00 0.00 C ATOM 569 CG TRP A 35 85.131 -1.963 5.168 1.00 0.00 C ATOM 570 CD1 TRP A 35 85.724 -3.192 5.175 1.00 0.00 C ATOM 571 CD2 TRP A 35 85.020 -1.560 6.537 1.00 0.00 C ATOM 572 NE1 TRP A 35 85.974 -3.585 6.468 1.00 0.00 N ATOM 573 CE2 TRP A 35 85.555 -2.598 7.322 1.00 0.00 C ATOM 574 CE3 TRP A 35 84.518 -0.422 7.176 1.00 0.00 C ATOM 575 CZ2 TRP A 35 85.601 -2.532 8.713 1.00 0.00 C ATOM 576 CZ3 TRP A 35 84.565 -0.358 8.556 1.00 0.00 C ATOM 577 CH2 TRP A 35 85.105 -1.405 9.310 1.00 0.00 C ATOM 0 H TRP A 35 83.727 -0.057 2.039 1.00 0.00 H new ATOM 0 HA TRP A 35 84.025 -2.756 2.677 1.00 0.00 H new ATOM 0 HB2 TRP A 35 85.573 -0.982 3.343 1.00 0.00 H new ATOM 0 HB3 TRP A 35 84.332 -0.202 4.303 1.00 0.00 H new ATOM 0 HD1 TRP A 35 85.962 -3.770 4.294 1.00 0.00 H new ATOM 0 HE1 TRP A 35 86.402 -4.468 6.747 1.00 0.00 H new ATOM 0 HE3 TRP A 35 84.101 0.392 6.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 86.013 -3.341 9.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 84.178 0.515 9.060 1.00 0.00 H new ATOM 0 HH2 TRP A 35 85.131 -1.322 10.387 1.00 0.00 H new ATOM 588 N LYS A 36 81.583 -1.265 4.316 1.00 0.00 N ATOM 589 CA LYS A 36 80.397 -1.534 5.118 1.00 0.00 C ATOM 590 C LYS A 36 79.328 -2.253 4.303 1.00 0.00 C ATOM 591 O LYS A 36 78.570 -3.063 4.839 1.00 0.00 O ATOM 592 CB LYS A 36 79.836 -0.240 5.708 1.00 0.00 C ATOM 593 CG LYS A 36 80.715 0.353 6.792 1.00 0.00 C ATOM 594 CD LYS A 36 80.070 1.568 7.431 1.00 0.00 C ATOM 595 CE LYS A 36 80.881 2.062 8.618 1.00 0.00 C ATOM 596 NZ LYS A 36 80.908 1.074 9.731 1.00 0.00 N ATOM 0 H LYS A 36 81.706 -0.287 4.053 1.00 0.00 H new ATOM 0 HA LYS A 36 80.695 -2.189 5.937 1.00 0.00 H new ATOM 0 HB2 LYS A 36 79.711 0.492 4.910 1.00 0.00 H new ATOM 0 HB3 LYS A 36 78.845 -0.435 6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 36 80.910 -0.400 7.556 1.00 0.00 H new ATOM 0 HG3 LYS A 36 81.679 0.633 6.367 1.00 0.00 H new ATOM 0 HD2 LYS A 36 79.979 2.365 6.693 1.00 0.00 H new ATOM 0 HD3 LYS A 36 79.060 1.318 7.756 1.00 0.00 H new ATOM 0 HE2 LYS A 36 81.901 2.272 8.297 1.00 0.00 H new ATOM 0 HE3 LYS A 36 80.460 3.001 8.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 81.292 1.525 10.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 79.942 0.738 9.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 81.509 0.268 9.465 1.00 0.00 H new ATOM 610 N TYR A 37 79.281 -1.967 3.008 1.00 0.00 N ATOM 611 CA TYR A 37 78.314 -2.599 2.118 1.00 0.00 C ATOM 612 C TYR A 37 78.606 -4.091 1.965 1.00 0.00 C ATOM 613 O TYR A 37 77.691 -4.917 1.971 1.00 0.00 O ATOM 614 CB TYR A 37 78.325 -1.914 0.745 1.00 0.00 C ATOM 615 CG TYR A 37 77.406 -2.564 -0.268 1.00 0.00 C ATOM 616 CD1 TYR A 37 76.026 -2.438 -0.164 1.00 0.00 C ATOM 617 CD2 TYR A 37 77.920 -3.306 -1.325 1.00 0.00 C ATOM 618 CE1 TYR A 37 75.185 -3.034 -1.084 1.00 0.00 C ATOM 619 CE2 TYR A 37 77.084 -3.904 -2.250 1.00 0.00 C ATOM 620 CZ TYR A 37 75.718 -3.765 -2.124 1.00 0.00 C ATOM 621 OH TYR A 37 74.883 -4.363 -3.042 1.00 0.00 O ATOM 0 H TYR A 37 79.902 -1.300 2.550 1.00 0.00 H new ATOM 0 HA TYR A 37 77.324 -2.488 2.560 1.00 0.00 H new ATOM 0 HB2 TYR A 37 78.036 -0.870 0.867 1.00 0.00 H new ATOM 0 HB3 TYR A 37 79.343 -1.919 0.355 1.00 0.00 H new ATOM 0 HD1 TYR A 37 75.604 -1.865 0.649 1.00 0.00 H new ATOM 0 HD2 TYR A 37 78.990 -3.417 -1.425 1.00 0.00 H new ATOM 0 HE1 TYR A 37 74.114 -2.928 -0.989 1.00 0.00 H new ATOM 0 HE2 TYR A 37 77.499 -4.477 -3.066 1.00 0.00 H new ATOM 0 HH TYR A 37 75.419 -4.839 -3.711 1.00 0.00 H new ATOM 631 N VAL A 38 79.884 -4.436 1.855 1.00 0.00 N ATOM 632 CA VAL A 38 80.280 -5.826 1.641 1.00 0.00 C ATOM 633 C VAL A 38 80.242 -6.638 2.939 1.00 0.00 C ATOM 634 O VAL A 38 80.606 -7.813 2.954 1.00 0.00 O ATOM 635 CB VAL A 38 81.679 -5.936 0.996 1.00 0.00 C ATOM 636 CG1 VAL A 38 81.687 -5.273 -0.374 1.00 0.00 C ATOM 637 CG2 VAL A 38 82.748 -5.329 1.889 1.00 0.00 C ATOM 0 H VAL A 38 80.661 -3.777 1.910 1.00 0.00 H new ATOM 0 HA VAL A 38 79.549 -6.246 0.950 1.00 0.00 H new ATOM 0 HB VAL A 38 81.909 -6.994 0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 38 82.680 -5.360 -0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 38 80.960 -5.764 -1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 38 81.427 -4.220 -0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 38 83.721 -5.422 1.407 1.00 0.00 H new ATOM 0 HG22 VAL A 38 82.526 -4.275 2.057 1.00 0.00 H new ATOM 0 HG23 VAL A 38 82.765 -5.853 2.844 1.00 0.00 H new ATOM 647 N GLY A 39 79.788 -6.015 4.023 1.00 0.00 N ATOM 648 CA GLY A 39 79.608 -6.735 5.275 1.00 0.00 C ATOM 649 C GLY A 39 80.710 -6.470 6.281 1.00 0.00 C ATOM 650 O GLY A 39 80.723 -7.064 7.359 1.00 0.00 O ATOM 0 H GLY A 39 79.541 -5.026 4.058 1.00 0.00 H new ATOM 0 HA2 GLY A 39 78.650 -6.455 5.713 1.00 0.00 H new ATOM 0 HA3 GLY A 39 79.563 -7.804 5.068 1.00 0.00 H new ATOM 654 N GLU A 40 81.624 -5.572 5.928 1.00 0.00 N ATOM 655 CA GLU A 40 82.759 -5.214 6.781 1.00 0.00 C ATOM 656 C GLU A 40 83.615 -6.431 7.134 1.00 0.00 C ATOM 657 O GLU A 40 83.501 -6.990 8.230 1.00 0.00 O ATOM 658 CB GLU A 40 82.295 -4.524 8.066 1.00 0.00 C ATOM 659 CG GLU A 40 81.530 -3.236 7.831 1.00 0.00 C ATOM 660 CD GLU A 40 81.067 -2.607 9.123 1.00 0.00 C ATOM 661 OE1 GLU A 40 80.265 -3.244 9.837 1.00 0.00 O ATOM 662 OE2 GLU A 40 81.496 -1.476 9.432 1.00 0.00 O ATOM 0 H GLU A 40 81.601 -5.069 5.041 1.00 0.00 H new ATOM 0 HA GLU A 40 83.370 -4.519 6.206 1.00 0.00 H new ATOM 0 HB2 GLU A 40 81.664 -5.212 8.629 1.00 0.00 H new ATOM 0 HB3 GLU A 40 83.165 -4.310 8.686 1.00 0.00 H new ATOM 0 HG2 GLU A 40 82.164 -2.532 7.292 1.00 0.00 H new ATOM 0 HG3 GLU A 40 80.667 -3.438 7.197 1.00 0.00 H new ATOM 669 N PRO A 41 84.463 -6.874 6.200 1.00 0.00 N ATOM 670 CA PRO A 41 85.435 -7.928 6.455 1.00 0.00 C ATOM 671 C PRO A 41 86.630 -7.382 7.225 1.00 0.00 C ATOM 672 O PRO A 41 86.719 -6.174 7.475 1.00 0.00 O ATOM 673 CB PRO A 41 85.862 -8.392 5.053 1.00 0.00 C ATOM 674 CG PRO A 41 85.016 -7.623 4.087 1.00 0.00 C ATOM 675 CD PRO A 41 84.543 -6.402 4.819 1.00 0.00 C ATOM 0 HA PRO A 41 85.025 -8.738 7.058 1.00 0.00 H new ATOM 0 HB2 PRO A 41 86.921 -8.198 4.884 1.00 0.00 H new ATOM 0 HB3 PRO A 41 85.712 -9.465 4.935 1.00 0.00 H new ATOM 0 HG2 PRO A 41 85.589 -7.348 3.202 1.00 0.00 H new ATOM 0 HG3 PRO A 41 84.172 -8.223 3.746 1.00 0.00 H new ATOM 0 HD2 PRO A 41 85.240 -5.570 4.714 1.00 0.00 H new ATOM 0 HD3 PRO A 41 83.577 -6.057 4.451 1.00 0.00 H new ATOM 683 N GLU A 42 87.542 -8.254 7.605 1.00 0.00 N ATOM 684 CA GLU A 42 88.732 -7.821 8.310 1.00 0.00 C ATOM 685 C GLU A 42 89.764 -7.300 7.323 1.00 0.00 C ATOM 686 O GLU A 42 90.016 -7.910 6.281 1.00 0.00 O ATOM 687 CB GLU A 42 89.292 -8.946 9.175 1.00 0.00 C ATOM 688 CG GLU A 42 88.335 -9.355 10.281 1.00 0.00 C ATOM 689 CD GLU A 42 88.950 -10.322 11.263 1.00 0.00 C ATOM 690 OE1 GLU A 42 89.596 -9.860 12.230 1.00 0.00 O ATOM 691 OE2 GLU A 42 88.773 -11.545 11.088 1.00 0.00 O ATOM 0 H GLU A 42 87.484 -9.259 7.439 1.00 0.00 H new ATOM 0 HA GLU A 42 88.467 -7.004 8.980 1.00 0.00 H new ATOM 0 HB2 GLU A 42 89.509 -9.810 8.547 1.00 0.00 H new ATOM 0 HB3 GLU A 42 90.237 -8.627 9.615 1.00 0.00 H new ATOM 0 HG2 GLU A 42 88.003 -8.465 10.815 1.00 0.00 H new ATOM 0 HG3 GLU A 42 87.449 -9.809 9.838 1.00 0.00 H new ATOM 698 N LEU A 43 90.334 -6.153 7.651 1.00 0.00 N ATOM 699 CA LEU A 43 91.218 -5.440 6.747 1.00 0.00 C ATOM 700 C LEU A 43 92.568 -6.126 6.621 1.00 0.00 C ATOM 701 O LEU A 43 93.286 -6.307 7.608 1.00 0.00 O ATOM 702 CB LEU A 43 91.401 -4.003 7.231 1.00 0.00 C ATOM 703 CG LEU A 43 90.117 -3.176 7.299 1.00 0.00 C ATOM 704 CD1 LEU A 43 90.395 -1.815 7.912 1.00 0.00 C ATOM 705 CD2 LEU A 43 89.505 -3.022 5.913 1.00 0.00 C ATOM 0 H LEU A 43 90.197 -5.691 8.550 1.00 0.00 H new ATOM 0 HA LEU A 43 90.758 -5.438 5.759 1.00 0.00 H new ATOM 0 HB2 LEU A 43 91.855 -4.024 8.222 1.00 0.00 H new ATOM 0 HB3 LEU A 43 92.105 -3.499 6.569 1.00 0.00 H new ATOM 0 HG LEU A 43 89.402 -3.701 7.933 1.00 0.00 H new ATOM 0 HD11 LEU A 43 89.471 -1.239 7.953 1.00 0.00 H new ATOM 0 HD12 LEU A 43 90.788 -1.944 8.921 1.00 0.00 H new ATOM 0 HD13 LEU A 43 91.127 -1.284 7.303 1.00 0.00 H new ATOM 0 HD21 LEU A 43 88.592 -2.431 5.982 1.00 0.00 H new ATOM 0 HD22 LEU A 43 90.214 -2.519 5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 43 89.270 -4.006 5.508 1.00 0.00 H new ATOM 717 N LYS A 44 92.908 -6.504 5.400 1.00 0.00 N ATOM 718 CA LYS A 44 94.199 -7.095 5.116 1.00 0.00 C ATOM 719 C LYS A 44 95.142 -6.016 4.609 1.00 0.00 C ATOM 720 O LYS A 44 94.885 -5.382 3.587 1.00 0.00 O ATOM 721 CB LYS A 44 94.060 -8.213 4.080 1.00 0.00 C ATOM 722 CG LYS A 44 93.069 -9.291 4.484 1.00 0.00 C ATOM 723 CD LYS A 44 92.951 -10.368 3.419 1.00 0.00 C ATOM 724 CE LYS A 44 91.894 -11.399 3.780 1.00 0.00 C ATOM 725 NZ LYS A 44 92.175 -12.062 5.082 1.00 0.00 N ATOM 0 H LYS A 44 92.301 -6.410 4.586 1.00 0.00 H new ATOM 0 HA LYS A 44 94.605 -7.530 6.029 1.00 0.00 H new ATOM 0 HB2 LYS A 44 93.747 -7.780 3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 44 95.036 -8.670 3.917 1.00 0.00 H new ATOM 0 HG2 LYS A 44 93.384 -9.742 5.425 1.00 0.00 H new ATOM 0 HG3 LYS A 44 92.091 -8.841 4.658 1.00 0.00 H new ATOM 0 HD2 LYS A 44 92.700 -9.909 2.463 1.00 0.00 H new ATOM 0 HD3 LYS A 44 93.914 -10.862 3.293 1.00 0.00 H new ATOM 0 HE2 LYS A 44 90.918 -10.916 3.824 1.00 0.00 H new ATOM 0 HE3 LYS A 44 91.841 -12.153 2.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 91.530 -12.868 5.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 93.159 -12.400 5.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 92.033 -11.382 5.856 1.00 0.00 H new ATOM 739 N THR A 45 96.216 -5.788 5.335 1.00 0.00 N ATOM 740 CA THR A 45 97.146 -4.733 4.994 1.00 0.00 C ATOM 741 C THR A 45 98.458 -5.306 4.481 1.00 0.00 C ATOM 742 O THR A 45 98.919 -6.348 4.954 1.00 0.00 O ATOM 743 CB THR A 45 97.417 -3.823 6.208 1.00 0.00 C ATOM 744 OG1 THR A 45 97.754 -4.616 7.355 1.00 0.00 O ATOM 745 CG2 THR A 45 96.204 -2.961 6.524 1.00 0.00 C ATOM 0 H THR A 45 96.467 -6.321 6.168 1.00 0.00 H new ATOM 0 HA THR A 45 96.689 -4.139 4.203 1.00 0.00 H new ATOM 0 HB THR A 45 98.253 -3.170 5.959 1.00 0.00 H new ATOM 0 HG1 THR A 45 97.615 -4.089 8.169 1.00 0.00 H new ATOM 0 HG21 THR A 45 96.421 -2.328 7.385 1.00 0.00 H new ATOM 0 HG22 THR A 45 95.969 -2.335 5.663 1.00 0.00 H new ATOM 0 HG23 THR A 45 95.352 -3.601 6.751 1.00 0.00 H new ATOM 753 N TYR A 46 99.043 -4.635 3.503 1.00 0.00 N ATOM 754 CA TYR A 46 100.328 -5.041 2.967 1.00 0.00 C ATOM 755 C TYR A 46 101.296 -3.869 3.011 1.00 0.00 C ATOM 756 O TYR A 46 100.945 -2.740 2.655 1.00 0.00 O ATOM 757 CB TYR A 46 100.187 -5.585 1.535 1.00 0.00 C ATOM 758 CG TYR A 46 99.829 -4.547 0.489 1.00 0.00 C ATOM 759 CD1 TYR A 46 98.548 -4.011 0.414 1.00 0.00 C ATOM 760 CD2 TYR A 46 100.773 -4.114 -0.434 1.00 0.00 C ATOM 761 CE1 TYR A 46 98.222 -3.074 -0.548 1.00 0.00 C ATOM 762 CE2 TYR A 46 100.454 -3.176 -1.396 1.00 0.00 C ATOM 763 CZ TYR A 46 99.180 -2.659 -1.448 1.00 0.00 C ATOM 764 OH TYR A 46 98.861 -1.728 -2.408 1.00 0.00 O ATOM 0 H TYR A 46 98.646 -3.804 3.064 1.00 0.00 H new ATOM 0 HA TYR A 46 100.723 -5.848 3.584 1.00 0.00 H new ATOM 0 HB2 TYR A 46 101.125 -6.060 1.248 1.00 0.00 H new ATOM 0 HB3 TYR A 46 99.423 -6.362 1.531 1.00 0.00 H new ATOM 0 HD1 TYR A 46 97.796 -4.332 1.119 1.00 0.00 H new ATOM 0 HD2 TYR A 46 101.774 -4.518 -0.398 1.00 0.00 H new ATOM 0 HE1 TYR A 46 97.222 -2.669 -0.594 1.00 0.00 H new ATOM 0 HE2 TYR A 46 101.201 -2.850 -2.104 1.00 0.00 H new ATOM 0 HH TYR A 46 99.649 -1.545 -2.961 1.00 0.00 H new ATOM 774 N VAL A 47 102.500 -4.129 3.485 1.00 0.00 N ATOM 775 CA VAL A 47 103.507 -3.090 3.598 1.00 0.00 C ATOM 776 C VAL A 47 104.392 -3.061 2.360 1.00 0.00 C ATOM 777 O VAL A 47 104.948 -4.084 1.954 1.00 0.00 O ATOM 778 CB VAL A 47 104.388 -3.283 4.851 1.00 0.00 C ATOM 779 CG1 VAL A 47 105.419 -2.170 4.969 1.00 0.00 C ATOM 780 CG2 VAL A 47 103.527 -3.347 6.101 1.00 0.00 C ATOM 0 H VAL A 47 102.805 -5.051 3.798 1.00 0.00 H new ATOM 0 HA VAL A 47 102.978 -2.141 3.690 1.00 0.00 H new ATOM 0 HB VAL A 47 104.922 -4.228 4.748 1.00 0.00 H new ATOM 0 HG11 VAL A 47 106.026 -2.330 5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 47 106.060 -2.173 4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 47 104.910 -1.209 5.044 1.00 0.00 H new ATOM 0 HG21 VAL A 47 104.164 -3.483 6.975 1.00 0.00 H new ATOM 0 HG22 VAL A 47 102.964 -2.419 6.203 1.00 0.00 H new ATOM 0 HG23 VAL A 47 102.834 -4.185 6.023 1.00 0.00 H new ATOM 790 N ILE A 48 104.490 -1.895 1.751 1.00 0.00 N ATOM 791 CA ILE A 48 105.390 -1.688 0.632 1.00 0.00 C ATOM 792 C ILE A 48 106.299 -0.507 0.922 1.00 0.00 C ATOM 793 O ILE A 48 105.844 0.549 1.357 1.00 0.00 O ATOM 794 CB ILE A 48 104.637 -1.459 -0.699 1.00 0.00 C ATOM 795 CG1 ILE A 48 103.528 -0.413 -0.529 1.00 0.00 C ATOM 796 CG2 ILE A 48 104.068 -2.770 -1.217 1.00 0.00 C ATOM 797 CD1 ILE A 48 102.782 -0.103 -1.810 1.00 0.00 C ATOM 0 H ILE A 48 103.952 -1.070 2.015 1.00 0.00 H new ATOM 0 HA ILE A 48 105.980 -2.597 0.514 1.00 0.00 H new ATOM 0 HB ILE A 48 105.347 -1.077 -1.433 1.00 0.00 H new ATOM 0 HG12 ILE A 48 102.818 -0.768 0.218 1.00 0.00 H new ATOM 0 HG13 ILE A 48 103.965 0.507 -0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 48 103.541 -2.593 -2.154 1.00 0.00 H new ATOM 0 HG22 ILE A 48 104.880 -3.478 -1.385 1.00 0.00 H new ATOM 0 HG23 ILE A 48 103.375 -3.181 -0.483 1.00 0.00 H new ATOM 0 HD11 ILE A 48 102.014 0.644 -1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 48 103.480 0.282 -2.553 1.00 0.00 H new ATOM 0 HD13 ILE A 48 102.315 -1.012 -2.188 1.00 0.00 H new ATOM 809 N GLU A 49 107.584 -0.701 0.722 1.00 0.00 N ATOM 810 CA GLU A 49 108.548 0.348 0.981 1.00 0.00 C ATOM 811 C GLU A 49 108.987 0.990 -0.326 1.00 0.00 C ATOM 812 O GLU A 49 109.839 0.453 -1.037 1.00 0.00 O ATOM 813 CB GLU A 49 109.753 -0.217 1.738 1.00 0.00 C ATOM 814 CG GLU A 49 109.388 -0.817 3.085 1.00 0.00 C ATOM 815 CD GLU A 49 110.590 -1.336 3.839 1.00 0.00 C ATOM 816 OE1 GLU A 49 111.412 -0.510 4.293 1.00 0.00 O ATOM 817 OE2 GLU A 49 110.714 -2.565 4.000 1.00 0.00 O ATOM 0 H GLU A 49 107.986 -1.574 0.381 1.00 0.00 H new ATOM 0 HA GLU A 49 108.081 1.113 1.601 1.00 0.00 H new ATOM 0 HB2 GLU A 49 110.233 -0.981 1.126 1.00 0.00 H new ATOM 0 HB3 GLU A 49 110.484 0.577 1.888 1.00 0.00 H new ATOM 0 HG2 GLU A 49 108.884 -0.063 3.689 1.00 0.00 H new ATOM 0 HG3 GLU A 49 108.679 -1.631 2.935 1.00 0.00 H new ATOM 1177 N LYS A 72 108.295 3.261 4.546 1.00 0.00 N ATOM 1178 CA LYS A 72 107.474 2.098 4.832 1.00 0.00 C ATOM 1179 C LYS A 72 106.001 2.489 4.883 1.00 0.00 C ATOM 1180 O LYS A 72 105.519 2.988 5.903 1.00 0.00 O ATOM 1181 CB LYS A 72 107.894 1.483 6.169 1.00 0.00 C ATOM 1182 CG LYS A 72 109.366 1.115 6.235 1.00 0.00 C ATOM 1183 CD LYS A 72 109.780 0.727 7.644 1.00 0.00 C ATOM 1184 CE LYS A 72 111.231 0.276 7.697 1.00 0.00 C ATOM 1185 NZ LYS A 72 111.457 -0.969 6.916 1.00 0.00 N ATOM 0 HA LYS A 72 107.615 1.365 4.038 1.00 0.00 H new ATOM 0 HB2 LYS A 72 107.668 2.187 6.970 1.00 0.00 H new ATOM 0 HB3 LYS A 72 107.297 0.590 6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 72 109.566 0.287 5.555 1.00 0.00 H new ATOM 0 HG3 LYS A 72 109.968 1.958 5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 72 109.638 1.576 8.312 1.00 0.00 H new ATOM 0 HD3 LYS A 72 109.136 -0.075 8.005 1.00 0.00 H new ATOM 0 HE2 LYS A 72 111.871 1.068 7.309 1.00 0.00 H new ATOM 0 HE3 LYS A 72 111.521 0.111 8.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 112.211 -1.528 7.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 110.580 -1.527 6.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 111.739 -0.724 5.945 1.00 0.00 H new ATOM 1199 N ILE A 73 105.292 2.292 3.782 1.00 0.00 N ATOM 1200 CA ILE A 73 103.875 2.608 3.738 1.00 0.00 C ATOM 1201 C ILE A 73 103.040 1.331 3.669 1.00 0.00 C ATOM 1202 O ILE A 73 103.298 0.435 2.864 1.00 0.00 O ATOM 1203 CB ILE A 73 103.524 3.560 2.564 1.00 0.00 C ATOM 1204 CG1 ILE A 73 102.028 3.887 2.568 1.00 0.00 C ATOM 1205 CG2 ILE A 73 103.940 2.965 1.225 1.00 0.00 C ATOM 1206 CD1 ILE A 73 101.626 4.922 1.538 1.00 0.00 C ATOM 0 H ILE A 73 105.673 1.917 2.913 1.00 0.00 H new ATOM 0 HA ILE A 73 103.633 3.135 4.661 1.00 0.00 H new ATOM 0 HB ILE A 73 104.083 4.485 2.704 1.00 0.00 H new ATOM 0 HG12 ILE A 73 101.465 2.971 2.388 1.00 0.00 H new ATOM 0 HG13 ILE A 73 101.746 4.245 3.558 1.00 0.00 H new ATOM 0 HG21 ILE A 73 103.680 3.656 0.423 1.00 0.00 H new ATOM 0 HG22 ILE A 73 105.016 2.793 1.222 1.00 0.00 H new ATOM 0 HG23 ILE A 73 103.421 2.019 1.070 1.00 0.00 H new ATOM 0 HD11 ILE A 73 100.553 5.101 1.602 1.00 0.00 H new ATOM 0 HD12 ILE A 73 102.161 5.852 1.729 1.00 0.00 H new ATOM 0 HD13 ILE A 73 101.875 4.559 0.541 1.00 0.00 H new ATOM 1218 N LYS A 74 102.057 1.246 4.545 1.00 0.00 N ATOM 1219 CA LYS A 74 101.204 0.077 4.633 1.00 0.00 C ATOM 1220 C LYS A 74 99.813 0.405 4.111 1.00 0.00 C ATOM 1221 O LYS A 74 99.116 1.242 4.676 1.00 0.00 O ATOM 1222 CB LYS A 74 101.137 -0.398 6.086 1.00 0.00 C ATOM 1223 CG LYS A 74 100.183 -1.557 6.329 1.00 0.00 C ATOM 1224 CD LYS A 74 100.242 -2.026 7.775 1.00 0.00 C ATOM 1225 CE LYS A 74 99.953 -0.890 8.745 1.00 0.00 C ATOM 1226 NZ LYS A 74 100.149 -1.302 10.158 1.00 0.00 N ATOM 0 H LYS A 74 101.828 1.982 5.213 1.00 0.00 H new ATOM 0 HA LYS A 74 101.619 -0.723 4.020 1.00 0.00 H new ATOM 0 HB2 LYS A 74 102.137 -0.694 6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 74 100.838 0.440 6.715 1.00 0.00 H new ATOM 0 HG2 LYS A 74 99.166 -1.251 6.085 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.435 -2.384 5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 74 99.520 -2.828 7.928 1.00 0.00 H new ATOM 0 HD3 LYS A 74 101.228 -2.441 7.983 1.00 0.00 H new ATOM 0 HE2 LYS A 74 100.605 -0.046 8.520 1.00 0.00 H new ATOM 0 HE3 LYS A 74 98.928 -0.547 8.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 99.942 -0.499 10.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 99.509 -2.091 10.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 101.134 -1.605 10.298 1.00 0.00 H new ATOM 1240 N LYS A 75 99.425 -0.244 3.023 1.00 0.00 N ATOM 1241 CA LYS A 75 98.121 -0.003 2.423 1.00 0.00 C ATOM 1242 C LYS A 75 97.177 -1.151 2.752 1.00 0.00 C ATOM 1243 O LYS A 75 97.615 -2.201 3.222 1.00 0.00 O ATOM 1244 CB LYS A 75 98.244 0.181 0.909 1.00 0.00 C ATOM 1245 CG LYS A 75 99.218 1.279 0.515 1.00 0.00 C ATOM 1246 CD LYS A 75 99.100 1.636 -0.955 1.00 0.00 C ATOM 1247 CE LYS A 75 100.144 2.663 -1.361 1.00 0.00 C ATOM 1248 NZ LYS A 75 99.863 3.238 -2.702 1.00 0.00 N ATOM 0 H LYS A 75 99.993 -0.940 2.539 1.00 0.00 H new ATOM 0 HA LYS A 75 97.711 0.917 2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 75 98.566 -0.759 0.461 1.00 0.00 H new ATOM 0 HB3 LYS A 75 97.262 0.411 0.497 1.00 0.00 H new ATOM 0 HG2 LYS A 75 99.031 2.166 1.121 1.00 0.00 H new ATOM 0 HG3 LYS A 75 100.237 0.956 0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 75 99.217 0.737 -1.560 1.00 0.00 H new ATOM 0 HD3 LYS A 75 98.103 2.028 -1.157 1.00 0.00 H new ATOM 0 HE2 LYS A 75 100.173 3.463 -0.622 1.00 0.00 H new ATOM 0 HE3 LYS A 75 101.129 2.197 -1.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 100.598 3.934 -2.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 99.861 2.478 -3.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 98.934 3.705 -2.692 1.00 0.00 H new ATOM 1262 N VAL A 76 95.891 -0.957 2.506 1.00 0.00 N ATOM 1263 CA VAL A 76 94.892 -1.940 2.907 1.00 0.00 C ATOM 1264 C VAL A 76 94.080 -2.425 1.710 1.00 0.00 C ATOM 1265 O VAL A 76 93.846 -1.677 0.758 1.00 0.00 O ATOM 1266 CB VAL A 76 93.942 -1.357 3.984 1.00 0.00 C ATOM 1267 CG1 VAL A 76 93.131 -0.193 3.432 1.00 0.00 C ATOM 1268 CG2 VAL A 76 93.026 -2.435 4.544 1.00 0.00 C ATOM 0 H VAL A 76 95.514 -0.135 2.034 1.00 0.00 H new ATOM 0 HA VAL A 76 95.426 -2.791 3.331 1.00 0.00 H new ATOM 0 HB VAL A 76 94.559 -0.979 4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 76 92.474 0.195 4.211 1.00 0.00 H new ATOM 0 HG12 VAL A 76 93.806 0.596 3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 76 92.531 -0.535 2.589 1.00 0.00 H new ATOM 0 HG21 VAL A 76 92.370 -1.999 5.298 1.00 0.00 H new ATOM 0 HG22 VAL A 76 92.424 -2.856 3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 76 93.627 -3.223 4.998 1.00 0.00 H new ATOM 1278 N TYR A 77 93.677 -3.688 1.757 1.00 0.00 N ATOM 1279 CA TYR A 77 92.819 -4.257 0.737 1.00 0.00 C ATOM 1280 C TYR A 77 91.943 -5.349 1.338 1.00 0.00 C ATOM 1281 O TYR A 77 92.195 -5.822 2.448 1.00 0.00 O ATOM 1282 CB TYR A 77 93.653 -4.833 -0.419 1.00 0.00 C ATOM 1283 CG TYR A 77 94.484 -6.053 -0.060 1.00 0.00 C ATOM 1284 CD1 TYR A 77 93.952 -7.334 -0.157 1.00 0.00 C ATOM 1285 CD2 TYR A 77 95.802 -5.924 0.358 1.00 0.00 C ATOM 1286 CE1 TYR A 77 94.707 -8.447 0.155 1.00 0.00 C ATOM 1287 CE2 TYR A 77 96.565 -7.035 0.673 1.00 0.00 C ATOM 1288 CZ TYR A 77 96.012 -8.294 0.569 1.00 0.00 C ATOM 1289 OH TYR A 77 96.768 -9.405 0.871 1.00 0.00 O ATOM 0 H TYR A 77 93.935 -4.339 2.499 1.00 0.00 H new ATOM 0 HA TYR A 77 92.184 -3.463 0.344 1.00 0.00 H new ATOM 0 HB2 TYR A 77 92.982 -5.096 -1.237 1.00 0.00 H new ATOM 0 HB3 TYR A 77 94.319 -4.054 -0.791 1.00 0.00 H new ATOM 0 HD1 TYR A 77 92.930 -7.461 -0.482 1.00 0.00 H new ATOM 0 HD2 TYR A 77 96.239 -4.940 0.439 1.00 0.00 H new ATOM 0 HE1 TYR A 77 94.276 -9.434 0.075 1.00 0.00 H new ATOM 0 HE2 TYR A 77 97.588 -6.917 0.998 1.00 0.00 H new ATOM 0 HH TYR A 77 97.666 -9.125 1.146 1.00 0.00 H new ATOM 1299 N PHE A 78 90.909 -5.735 0.612 1.00 0.00 N ATOM 1300 CA PHE A 78 90.133 -6.907 0.970 1.00 0.00 C ATOM 1301 C PHE A 78 89.896 -7.747 -0.274 1.00 0.00 C ATOM 1302 O PHE A 78 89.836 -7.216 -1.386 1.00 0.00 O ATOM 1303 CB PHE A 78 88.805 -6.536 1.654 1.00 0.00 C ATOM 1304 CG PHE A 78 87.831 -5.771 0.800 1.00 0.00 C ATOM 1305 CD1 PHE A 78 86.909 -6.436 0.006 1.00 0.00 C ATOM 1306 CD2 PHE A 78 87.827 -4.386 0.806 1.00 0.00 C ATOM 1307 CE1 PHE A 78 86.004 -5.733 -0.765 1.00 0.00 C ATOM 1308 CE2 PHE A 78 86.924 -3.679 0.036 1.00 0.00 C ATOM 1309 CZ PHE A 78 86.012 -4.352 -0.751 1.00 0.00 C ATOM 0 H PHE A 78 90.588 -5.254 -0.228 1.00 0.00 H new ATOM 0 HA PHE A 78 90.700 -7.488 1.697 1.00 0.00 H new ATOM 0 HB2 PHE A 78 88.322 -7.452 1.994 1.00 0.00 H new ATOM 0 HB3 PHE A 78 89.026 -5.944 2.542 1.00 0.00 H new ATOM 0 HD1 PHE A 78 86.898 -7.516 -0.010 1.00 0.00 H new ATOM 0 HD2 PHE A 78 88.538 -3.853 1.420 1.00 0.00 H new ATOM 0 HE1 PHE A 78 85.290 -6.263 -1.379 1.00 0.00 H new ATOM 0 HE2 PHE A 78 86.932 -2.599 0.050 1.00 0.00 H new ATOM 0 HZ PHE A 78 85.306 -3.800 -1.354 1.00 0.00 H new ATOM 1319 N GLU A 79 89.795 -9.051 -0.088 1.00 0.00 N ATOM 1320 CA GLU A 79 89.640 -9.960 -1.207 1.00 0.00 C ATOM 1321 C GLU A 79 88.197 -10.414 -1.333 1.00 0.00 C ATOM 1322 O GLU A 79 87.533 -10.689 -0.334 1.00 0.00 O ATOM 1323 CB GLU A 79 90.556 -11.174 -1.041 1.00 0.00 C ATOM 1324 CG GLU A 79 92.027 -10.810 -0.952 1.00 0.00 C ATOM 1325 CD GLU A 79 92.937 -12.019 -0.960 1.00 0.00 C ATOM 1326 OE1 GLU A 79 93.055 -12.673 -2.017 1.00 0.00 O ATOM 1327 OE2 GLU A 79 93.560 -12.307 0.085 1.00 0.00 O ATOM 0 H GLU A 79 89.818 -9.503 0.826 1.00 0.00 H new ATOM 0 HA GLU A 79 89.920 -9.429 -2.117 1.00 0.00 H new ATOM 0 HB2 GLU A 79 90.268 -11.717 -0.141 1.00 0.00 H new ATOM 0 HB3 GLU A 79 90.407 -11.851 -1.882 1.00 0.00 H new ATOM 0 HG2 GLU A 79 92.286 -10.161 -1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 79 92.200 -10.238 -0.040 1.00 0.00 H new ATOM 1334 N THR A 80 87.713 -10.467 -2.561 1.00 0.00 N ATOM 1335 CA THR A 80 86.384 -10.978 -2.832 1.00 0.00 C ATOM 1336 C THR A 80 86.415 -12.499 -2.920 1.00 0.00 C ATOM 1337 O THR A 80 87.481 -13.109 -2.812 1.00 0.00 O ATOM 1338 CB THR A 80 85.832 -10.394 -4.144 1.00 0.00 C ATOM 1339 OG1 THR A 80 86.769 -10.613 -5.206 1.00 0.00 O ATOM 1340 CG2 THR A 80 85.557 -8.905 -4.000 1.00 0.00 C ATOM 0 H THR A 80 88.224 -10.161 -3.389 1.00 0.00 H new ATOM 0 HA THR A 80 85.730 -10.677 -2.014 1.00 0.00 H new ATOM 0 HB THR A 80 84.894 -10.898 -4.377 1.00 0.00 H new ATOM 0 HG1 THR A 80 86.372 -11.209 -5.875 1.00 0.00 H new ATOM 0 HG21 THR A 80 85.168 -8.514 -4.940 1.00 0.00 H new ATOM 0 HG22 THR A 80 84.824 -8.745 -3.209 1.00 0.00 H new ATOM 0 HG23 THR A 80 86.482 -8.387 -3.747 1.00 0.00 H new ATOM 1348 N LEU A 81 85.256 -13.110 -3.136 1.00 0.00 N ATOM 1349 CA LEU A 81 85.161 -14.563 -3.236 1.00 0.00 C ATOM 1350 C LEU A 81 85.965 -15.076 -4.427 1.00 0.00 C ATOM 1351 O LEU A 81 86.441 -16.214 -4.434 1.00 0.00 O ATOM 1352 CB LEU A 81 83.699 -15.014 -3.366 1.00 0.00 C ATOM 1353 CG LEU A 81 82.824 -14.830 -2.119 1.00 0.00 C ATOM 1354 CD1 LEU A 81 82.496 -13.365 -1.879 1.00 0.00 C ATOM 1355 CD2 LEU A 81 81.548 -15.641 -2.253 1.00 0.00 C ATOM 0 H LEU A 81 84.367 -12.622 -3.246 1.00 0.00 H new ATOM 0 HA LEU A 81 85.575 -14.983 -2.320 1.00 0.00 H new ATOM 0 HB2 LEU A 81 83.242 -14.465 -4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 81 83.688 -16.069 -3.641 1.00 0.00 H new ATOM 0 HG LEU A 81 83.388 -15.189 -1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 81 81.875 -13.272 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 81 83.420 -12.804 -1.738 1.00 0.00 H new ATOM 0 HD13 LEU A 81 81.958 -12.967 -2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 81 80.934 -15.503 -1.363 1.00 0.00 H new ATOM 0 HD22 LEU A 81 80.995 -15.306 -3.131 1.00 0.00 H new ATOM 0 HD23 LEU A 81 81.797 -16.696 -2.362 1.00 0.00 H new ATOM 1367 N ASP A 82 86.117 -14.222 -5.429 1.00 0.00 N ATOM 1368 CA ASP A 82 86.861 -14.563 -6.634 1.00 0.00 C ATOM 1369 C ASP A 82 88.274 -13.979 -6.581 1.00 0.00 C ATOM 1370 O ASP A 82 88.969 -13.909 -7.596 1.00 0.00 O ATOM 1371 CB ASP A 82 86.107 -14.071 -7.875 1.00 0.00 C ATOM 1372 CG ASP A 82 85.898 -12.568 -7.895 1.00 0.00 C ATOM 1373 OD1 ASP A 82 85.385 -12.012 -6.897 1.00 0.00 O ATOM 1374 OD2 ASP A 82 86.241 -11.936 -8.912 1.00 0.00 O ATOM 0 H ASP A 82 85.731 -13.278 -5.431 1.00 0.00 H new ATOM 0 HA ASP A 82 86.952 -15.647 -6.695 1.00 0.00 H new ATOM 0 HB2 ASP A 82 86.659 -14.366 -8.767 1.00 0.00 H new ATOM 0 HB3 ASP A 82 85.137 -14.566 -7.922 1.00 0.00 H new ATOM 1379 N ASN A 83 88.680 -13.561 -5.378 1.00 0.00 N ATOM 1380 CA ASN A 83 90.058 -13.139 -5.089 1.00 0.00 C ATOM 1381 C ASN A 83 90.486 -11.893 -5.862 1.00 0.00 C ATOM 1382 O ASN A 83 91.654 -11.748 -6.229 1.00 0.00 O ATOM 1383 CB ASN A 83 91.048 -14.286 -5.341 1.00 0.00 C ATOM 1384 CG ASN A 83 91.021 -15.352 -4.255 1.00 0.00 C ATOM 1385 OD1 ASN A 83 91.187 -16.539 -4.533 1.00 0.00 O ATOM 1386 ND2 ASN A 83 90.855 -14.944 -3.003 1.00 0.00 N ATOM 0 H ASN A 83 88.059 -13.505 -4.571 1.00 0.00 H new ATOM 0 HA ASN A 83 90.074 -12.873 -4.032 1.00 0.00 H new ATOM 0 HB2 ASN A 83 90.820 -14.749 -6.301 1.00 0.00 H new ATOM 0 HB3 ASN A 83 92.056 -13.878 -5.415 1.00 0.00 H new ATOM 0 HD21 ASN A 83 90.863 -15.621 -2.241 1.00 0.00 H new ATOM 0 HD22 ASN A 83 90.719 -13.953 -2.803 1.00 0.00 H new ATOM 1393 N VAL A 84 89.555 -10.983 -6.084 1.00 0.00 N ATOM 1394 CA VAL A 84 89.908 -9.670 -6.599 1.00 0.00 C ATOM 1395 C VAL A 84 90.164 -8.739 -5.424 1.00 0.00 C ATOM 1396 O VAL A 84 89.358 -8.667 -4.494 1.00 0.00 O ATOM 1397 CB VAL A 84 88.816 -9.088 -7.521 1.00 0.00 C ATOM 1398 CG1 VAL A 84 89.105 -7.632 -7.865 1.00 0.00 C ATOM 1399 CG2 VAL A 84 88.711 -9.916 -8.791 1.00 0.00 C ATOM 0 H VAL A 84 88.559 -11.125 -5.918 1.00 0.00 H new ATOM 0 HA VAL A 84 90.807 -9.769 -7.207 1.00 0.00 H new ATOM 0 HB VAL A 84 87.866 -9.126 -6.989 1.00 0.00 H new ATOM 0 HG11 VAL A 84 88.319 -7.249 -8.516 1.00 0.00 H new ATOM 0 HG12 VAL A 84 89.138 -7.041 -6.949 1.00 0.00 H new ATOM 0 HG13 VAL A 84 90.065 -7.563 -8.376 1.00 0.00 H new ATOM 0 HG21 VAL A 84 87.938 -9.498 -9.435 1.00 0.00 H new ATOM 0 HG22 VAL A 84 89.667 -9.902 -9.315 1.00 0.00 H new ATOM 0 HG23 VAL A 84 88.453 -10.944 -8.535 1.00 0.00 H new ATOM 1409 N ARG A 85 91.295 -8.053 -5.450 1.00 0.00 N ATOM 1410 CA ARG A 85 91.716 -7.257 -4.312 1.00 0.00 C ATOM 1411 C ARG A 85 91.375 -5.789 -4.506 1.00 0.00 C ATOM 1412 O ARG A 85 91.894 -5.132 -5.408 1.00 0.00 O ATOM 1413 CB ARG A 85 93.217 -7.421 -4.073 1.00 0.00 C ATOM 1414 CG ARG A 85 93.637 -8.867 -3.892 1.00 0.00 C ATOM 1415 CD ARG A 85 95.061 -8.987 -3.381 1.00 0.00 C ATOM 1416 NE ARG A 85 96.039 -8.431 -4.310 1.00 0.00 N ATOM 1417 CZ ARG A 85 96.964 -9.157 -4.932 1.00 0.00 C ATOM 1418 NH1 ARG A 85 96.969 -10.480 -4.811 1.00 0.00 N ATOM 1419 NH2 ARG A 85 97.870 -8.557 -5.690 1.00 0.00 N ATOM 0 H ARG A 85 91.935 -8.032 -6.244 1.00 0.00 H new ATOM 0 HA ARG A 85 91.175 -7.616 -3.437 1.00 0.00 H new ATOM 0 HB2 ARG A 85 93.762 -6.994 -4.915 1.00 0.00 H new ATOM 0 HB3 ARG A 85 93.502 -6.853 -3.188 1.00 0.00 H new ATOM 0 HG2 ARG A 85 92.959 -9.356 -3.193 1.00 0.00 H new ATOM 0 HG3 ARG A 85 93.548 -9.392 -4.843 1.00 0.00 H new ATOM 0 HD2 ARG A 85 95.144 -8.475 -2.423 1.00 0.00 H new ATOM 0 HD3 ARG A 85 95.292 -10.037 -3.202 1.00 0.00 H new ATOM 0 HE ARG A 85 96.012 -7.428 -4.493 1.00 0.00 H new ATOM 0 HH11 ARG A 85 96.262 -10.943 -4.240 1.00 0.00 H new ATOM 0 HH12 ARG A 85 97.680 -11.033 -5.290 1.00 0.00 H new ATOM 0 HH21 ARG A 85 97.856 -7.542 -5.795 1.00 0.00 H new ATOM 0 HH22 ARG A 85 98.581 -9.110 -6.169 1.00 0.00 H new ATOM 1433 N VAL A 86 90.488 -5.289 -3.666 1.00 0.00 N ATOM 1434 CA VAL A 86 90.156 -3.877 -3.661 1.00 0.00 C ATOM 1435 C VAL A 86 91.093 -3.150 -2.705 1.00 0.00 C ATOM 1436 O VAL A 86 91.049 -3.374 -1.496 1.00 0.00 O ATOM 1437 CB VAL A 86 88.689 -3.636 -3.247 1.00 0.00 C ATOM 1438 CG1 VAL A 86 88.340 -2.158 -3.335 1.00 0.00 C ATOM 1439 CG2 VAL A 86 87.745 -4.461 -4.112 1.00 0.00 C ATOM 0 H VAL A 86 89.982 -5.843 -2.975 1.00 0.00 H new ATOM 0 HA VAL A 86 90.277 -3.491 -4.673 1.00 0.00 H new ATOM 0 HB VAL A 86 88.571 -3.953 -2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 86 87.301 -2.011 -3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 86 88.991 -1.590 -2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 86 88.477 -1.812 -4.359 1.00 0.00 H new ATOM 0 HG21 VAL A 86 86.716 -4.277 -3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 86 87.868 -4.177 -5.157 1.00 0.00 H new ATOM 0 HG23 VAL A 86 87.975 -5.520 -3.994 1.00 0.00 H new ATOM 1449 N VAL A 87 91.946 -2.299 -3.255 1.00 0.00 N ATOM 1450 CA VAL A 87 93.014 -1.670 -2.490 1.00 0.00 C ATOM 1451 C VAL A 87 92.784 -0.166 -2.367 1.00 0.00 C ATOM 1452 O VAL A 87 92.213 0.458 -3.264 1.00 0.00 O ATOM 1453 CB VAL A 87 94.388 -1.910 -3.161 1.00 0.00 C ATOM 1454 CG1 VAL A 87 95.524 -1.451 -2.260 1.00 0.00 C ATOM 1455 CG2 VAL A 87 94.562 -3.375 -3.540 1.00 0.00 C ATOM 0 H VAL A 87 91.919 -2.026 -4.237 1.00 0.00 H new ATOM 0 HA VAL A 87 93.010 -2.120 -1.497 1.00 0.00 H new ATOM 0 HB VAL A 87 94.419 -1.316 -4.075 1.00 0.00 H new ATOM 0 HG11 VAL A 87 96.478 -1.631 -2.756 1.00 0.00 H new ATOM 0 HG12 VAL A 87 95.418 -0.386 -2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 87 95.492 -2.006 -1.323 1.00 0.00 H new ATOM 0 HG21 VAL A 87 95.535 -3.516 -4.010 1.00 0.00 H new ATOM 0 HG22 VAL A 87 94.498 -3.993 -2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 87 93.777 -3.666 -4.238 1.00 0.00 H new ATOM 1465 N THR A 88 93.222 0.409 -1.256 1.00 0.00 N ATOM 1466 CA THR A 88 93.171 1.850 -1.068 1.00 0.00 C ATOM 1467 C THR A 88 94.285 2.295 -0.121 1.00 0.00 C ATOM 1468 O THR A 88 94.970 1.459 0.482 1.00 0.00 O ATOM 1469 CB THR A 88 91.801 2.302 -0.514 1.00 0.00 C ATOM 1470 OG1 THR A 88 91.647 3.718 -0.676 1.00 0.00 O ATOM 1471 CG2 THR A 88 91.660 1.947 0.959 1.00 0.00 C ATOM 0 H THR A 88 93.618 -0.104 -0.468 1.00 0.00 H new ATOM 0 HA THR A 88 93.312 2.318 -2.042 1.00 0.00 H new ATOM 0 HB THR A 88 91.026 1.780 -1.075 1.00 0.00 H new ATOM 0 HG1 THR A 88 91.328 3.911 -1.582 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.686 2.277 1.321 1.00 0.00 H new ATOM 0 HG22 THR A 88 91.746 0.868 1.083 1.00 0.00 H new ATOM 0 HG23 THR A 88 92.446 2.442 1.529 1.00 0.00 H new ATOM 1479 N ASP A 89 94.464 3.606 0.002 1.00 0.00 N ATOM 1480 CA ASP A 89 95.458 4.163 0.906 1.00 0.00 C ATOM 1481 C ASP A 89 95.003 4.014 2.350 1.00 0.00 C ATOM 1482 O ASP A 89 94.044 4.651 2.785 1.00 0.00 O ATOM 1483 CB ASP A 89 95.719 5.636 0.592 1.00 0.00 C ATOM 1484 CG ASP A 89 96.669 6.278 1.585 1.00 0.00 C ATOM 1485 OD1 ASP A 89 97.706 5.659 1.911 1.00 0.00 O ATOM 1486 OD2 ASP A 89 96.380 7.400 2.052 1.00 0.00 O ATOM 0 H ASP A 89 93.930 4.303 -0.516 1.00 0.00 H new ATOM 0 HA ASP A 89 96.387 3.610 0.766 1.00 0.00 H new ATOM 0 HB2 ASP A 89 96.134 5.723 -0.412 1.00 0.00 H new ATOM 0 HB3 ASP A 89 94.774 6.179 0.594 1.00 0.00 H new ATOM 1491 N TYR A 90 95.702 3.169 3.088 1.00 0.00 N ATOM 1492 CA TYR A 90 95.347 2.877 4.467 1.00 0.00 C ATOM 1493 C TYR A 90 95.668 4.066 5.367 1.00 0.00 C ATOM 1494 O TYR A 90 95.103 4.204 6.448 1.00 0.00 O ATOM 1495 CB TYR A 90 96.088 1.620 4.932 1.00 0.00 C ATOM 1496 CG TYR A 90 95.661 1.092 6.283 1.00 0.00 C ATOM 1497 CD1 TYR A 90 94.317 0.945 6.606 1.00 0.00 C ATOM 1498 CD2 TYR A 90 96.606 0.721 7.228 1.00 0.00 C ATOM 1499 CE1 TYR A 90 93.928 0.449 7.835 1.00 0.00 C ATOM 1500 CE2 TYR A 90 96.226 0.224 8.459 1.00 0.00 C ATOM 1501 CZ TYR A 90 94.887 0.089 8.758 1.00 0.00 C ATOM 1502 OH TYR A 90 94.507 -0.401 9.987 1.00 0.00 O ATOM 0 H TYR A 90 96.525 2.669 2.752 1.00 0.00 H new ATOM 0 HA TYR A 90 94.274 2.695 4.530 1.00 0.00 H new ATOM 0 HB2 TYR A 90 95.944 0.835 4.189 1.00 0.00 H new ATOM 0 HB3 TYR A 90 97.156 1.836 4.964 1.00 0.00 H new ATOM 0 HD1 TYR A 90 93.564 1.223 5.884 1.00 0.00 H new ATOM 0 HD2 TYR A 90 97.656 0.822 6.997 1.00 0.00 H new ATOM 0 HE1 TYR A 90 92.879 0.344 8.071 1.00 0.00 H new ATOM 0 HE2 TYR A 90 96.975 -0.058 9.185 1.00 0.00 H new ATOM 0 HH TYR A 90 95.305 -0.607 10.518 1.00 0.00 H new ATOM 1512 N SER A 91 96.560 4.932 4.900 1.00 0.00 N ATOM 1513 CA SER A 91 96.930 6.127 5.643 1.00 0.00 C ATOM 1514 C SER A 91 95.712 7.037 5.814 1.00 0.00 C ATOM 1515 O SER A 91 95.300 7.352 6.938 1.00 0.00 O ATOM 1516 CB SER A 91 98.039 6.871 4.901 1.00 0.00 C ATOM 1517 OG SER A 91 98.945 5.960 4.296 1.00 0.00 O ATOM 0 H SER A 91 97.041 4.827 4.007 1.00 0.00 H new ATOM 0 HA SER A 91 97.292 5.837 6.629 1.00 0.00 H new ATOM 0 HB2 SER A 91 97.602 7.516 4.138 1.00 0.00 H new ATOM 0 HB3 SER A 91 98.576 7.517 5.595 1.00 0.00 H new ATOM 0 HG SER A 91 98.615 5.713 3.407 1.00 0.00 H new ATOM 1523 N GLU A 92 95.127 7.438 4.689 1.00 0.00 N ATOM 1524 CA GLU A 92 93.938 8.278 4.700 1.00 0.00 C ATOM 1525 C GLU A 92 92.750 7.509 5.261 1.00 0.00 C ATOM 1526 O GLU A 92 91.909 8.074 5.960 1.00 0.00 O ATOM 1527 CB GLU A 92 93.632 8.780 3.286 1.00 0.00 C ATOM 1528 CG GLU A 92 92.503 9.797 3.225 1.00 0.00 C ATOM 1529 CD GLU A 92 92.421 10.489 1.882 1.00 0.00 C ATOM 1530 OE1 GLU A 92 93.357 11.243 1.547 1.00 0.00 O ATOM 1531 OE2 GLU A 92 91.423 10.291 1.155 1.00 0.00 O ATOM 0 H GLU A 92 95.460 7.193 3.757 1.00 0.00 H new ATOM 0 HA GLU A 92 94.125 9.139 5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 92 94.533 9.227 2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 92 93.375 7.928 2.656 1.00 0.00 H new ATOM 0 HG2 GLU A 92 91.556 9.298 3.432 1.00 0.00 H new ATOM 0 HG3 GLU A 92 92.647 10.543 4.007 1.00 0.00 H new ATOM 1538 N PHE A 93 92.699 6.215 4.969 1.00 0.00 N ATOM 1539 CA PHE A 93 91.623 5.365 5.459 1.00 0.00 C ATOM 1540 C PHE A 93 91.596 5.364 6.988 1.00 0.00 C ATOM 1541 O PHE A 93 90.538 5.534 7.593 1.00 0.00 O ATOM 1542 CB PHE A 93 91.783 3.939 4.925 1.00 0.00 C ATOM 1543 CG PHE A 93 90.601 3.057 5.205 1.00 0.00 C ATOM 1544 CD1 PHE A 93 89.397 3.268 4.553 1.00 0.00 C ATOM 1545 CD2 PHE A 93 90.690 2.021 6.120 1.00 0.00 C ATOM 1546 CE1 PHE A 93 88.305 2.462 4.809 1.00 0.00 C ATOM 1547 CE2 PHE A 93 89.600 1.214 6.380 1.00 0.00 C ATOM 1548 CZ PHE A 93 88.406 1.433 5.723 1.00 0.00 C ATOM 0 H PHE A 93 93.391 5.732 4.395 1.00 0.00 H new ATOM 0 HA PHE A 93 90.675 5.765 5.098 1.00 0.00 H new ATOM 0 HB2 PHE A 93 91.949 3.979 3.848 1.00 0.00 H new ATOM 0 HB3 PHE A 93 92.673 3.492 5.368 1.00 0.00 H new ATOM 0 HD1 PHE A 93 89.311 4.072 3.837 1.00 0.00 H new ATOM 0 HD2 PHE A 93 91.622 1.842 6.636 1.00 0.00 H new ATOM 0 HE1 PHE A 93 87.372 2.637 4.294 1.00 0.00 H new ATOM 0 HE2 PHE A 93 89.682 0.411 7.098 1.00 0.00 H new ATOM 0 HZ PHE A 93 87.553 0.801 5.924 1.00 0.00 H new ATOM 1558 N GLN A 94 92.763 5.193 7.607 1.00 0.00 N ATOM 1559 CA GLN A 94 92.874 5.252 9.062 1.00 0.00 C ATOM 1560 C GLN A 94 92.397 6.598 9.589 1.00 0.00 C ATOM 1561 O GLN A 94 91.728 6.666 10.619 1.00 0.00 O ATOM 1562 CB GLN A 94 94.314 5.012 9.518 1.00 0.00 C ATOM 1563 CG GLN A 94 94.704 3.546 9.589 1.00 0.00 C ATOM 1564 CD GLN A 94 96.103 3.348 10.142 1.00 0.00 C ATOM 1565 OE1 GLN A 94 96.980 4.190 9.958 1.00 0.00 O ATOM 1566 NE2 GLN A 94 96.321 2.238 10.828 1.00 0.00 N ATOM 0 H GLN A 94 93.643 5.013 7.124 1.00 0.00 H new ATOM 0 HA GLN A 94 92.240 4.463 9.466 1.00 0.00 H new ATOM 0 HB2 GLN A 94 94.991 5.525 8.834 1.00 0.00 H new ATOM 0 HB3 GLN A 94 94.453 5.462 10.501 1.00 0.00 H new ATOM 0 HG2 GLN A 94 93.989 3.012 10.215 1.00 0.00 H new ATOM 0 HG3 GLN A 94 94.644 3.108 8.593 1.00 0.00 H new ATOM 0 HE21 GLN A 94 95.567 1.563 10.959 1.00 0.00 H new ATOM 0 HE22 GLN A 94 97.243 2.057 11.226 1.00 0.00 H new ATOM 1575 N LYS A 95 92.741 7.663 8.874 1.00 0.00 N ATOM 1576 CA LYS A 95 92.341 9.004 9.274 1.00 0.00 C ATOM 1577 C LYS A 95 90.820 9.139 9.249 1.00 0.00 C ATOM 1578 O LYS A 95 90.233 9.753 10.136 1.00 0.00 O ATOM 1579 CB LYS A 95 92.982 10.056 8.365 1.00 0.00 C ATOM 1580 CG LYS A 95 92.690 11.484 8.797 1.00 0.00 C ATOM 1581 CD LYS A 95 93.352 12.497 7.881 1.00 0.00 C ATOM 1582 CE LYS A 95 93.116 13.920 8.362 1.00 0.00 C ATOM 1583 NZ LYS A 95 93.692 14.158 9.714 1.00 0.00 N ATOM 0 H LYS A 95 93.294 7.623 8.018 1.00 0.00 H new ATOM 0 HA LYS A 95 92.689 9.172 10.293 1.00 0.00 H new ATOM 0 HB2 LYS A 95 94.061 9.902 8.348 1.00 0.00 H new ATOM 0 HB3 LYS A 95 92.624 9.912 7.346 1.00 0.00 H new ATOM 0 HG2 LYS A 95 91.613 11.649 8.803 1.00 0.00 H new ATOM 0 HG3 LYS A 95 93.041 11.634 9.818 1.00 0.00 H new ATOM 0 HD2 LYS A 95 94.423 12.301 7.833 1.00 0.00 H new ATOM 0 HD3 LYS A 95 92.962 12.384 6.869 1.00 0.00 H new ATOM 0 HE2 LYS A 95 93.557 14.620 7.652 1.00 0.00 H new ATOM 0 HE3 LYS A 95 92.045 14.122 8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 93.753 15.181 9.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 93.083 13.719 10.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 94.643 13.741 9.765 1.00 0.00 H new ATOM 1597 N ILE A 96 90.191 8.549 8.239 1.00 0.00 N ATOM 1598 CA ILE A 96 88.736 8.566 8.122 1.00 0.00 C ATOM 1599 C ILE A 96 88.089 7.823 9.294 1.00 0.00 C ATOM 1600 O ILE A 96 87.099 8.286 9.867 1.00 0.00 O ATOM 1601 CB ILE A 96 88.270 7.944 6.785 1.00 0.00 C ATOM 1602 CG1 ILE A 96 88.815 8.757 5.607 1.00 0.00 C ATOM 1603 CG2 ILE A 96 86.749 7.868 6.724 1.00 0.00 C ATOM 1604 CD1 ILE A 96 88.476 8.174 4.251 1.00 0.00 C ATOM 0 H ILE A 96 90.667 8.051 7.487 1.00 0.00 H new ATOM 0 HA ILE A 96 88.420 9.609 8.144 1.00 0.00 H new ATOM 0 HB ILE A 96 88.662 6.929 6.721 1.00 0.00 H new ATOM 0 HG12 ILE A 96 88.420 9.771 5.665 1.00 0.00 H new ATOM 0 HG13 ILE A 96 89.899 8.831 5.699 1.00 0.00 H new ATOM 0 HG21 ILE A 96 86.445 7.427 5.775 1.00 0.00 H new ATOM 0 HG22 ILE A 96 86.382 7.251 7.545 1.00 0.00 H new ATOM 0 HG23 ILE A 96 86.331 8.871 6.809 1.00 0.00 H new ATOM 0 HD11 ILE A 96 88.896 8.805 3.468 1.00 0.00 H new ATOM 0 HD12 ILE A 96 88.894 7.171 4.171 1.00 0.00 H new ATOM 0 HD13 ILE A 96 87.393 8.126 4.136 1.00 0.00 H new ATOM 1616 N LEU A 97 88.669 6.680 9.654 1.00 0.00 N ATOM 1617 CA LEU A 97 88.199 5.901 10.798 1.00 0.00 C ATOM 1618 C LEU A 97 88.235 6.738 12.070 1.00 0.00 C ATOM 1619 O LEU A 97 87.300 6.711 12.873 1.00 0.00 O ATOM 1620 CB LEU A 97 89.057 4.645 10.985 1.00 0.00 C ATOM 1621 CG LEU A 97 88.561 3.378 10.277 1.00 0.00 C ATOM 1622 CD1 LEU A 97 87.253 2.905 10.887 1.00 0.00 C ATOM 1623 CD2 LEU A 97 88.389 3.610 8.787 1.00 0.00 C ATOM 0 H LEU A 97 89.468 6.272 9.168 1.00 0.00 H new ATOM 0 HA LEU A 97 87.170 5.602 10.600 1.00 0.00 H new ATOM 0 HB2 LEU A 97 90.065 4.863 10.633 1.00 0.00 H new ATOM 0 HB3 LEU A 97 89.131 4.435 12.052 1.00 0.00 H new ATOM 0 HG LEU A 97 89.316 2.604 10.414 1.00 0.00 H new ATOM 0 HD11 LEU A 97 86.916 2.005 10.372 1.00 0.00 H new ATOM 0 HD12 LEU A 97 87.403 2.684 11.944 1.00 0.00 H new ATOM 0 HD13 LEU A 97 86.500 3.686 10.783 1.00 0.00 H new ATOM 0 HD21 LEU A 97 88.037 2.693 8.314 1.00 0.00 H new ATOM 0 HD22 LEU A 97 87.661 4.405 8.624 1.00 0.00 H new ATOM 0 HD23 LEU A 97 89.345 3.899 8.351 1.00 0.00 H new ATOM 1635 N LYS A 98 89.323 7.479 12.241 1.00 0.00 N ATOM 1636 CA LYS A 98 89.489 8.359 13.394 1.00 0.00 C ATOM 1637 C LYS A 98 88.538 9.550 13.305 1.00 0.00 C ATOM 1638 O LYS A 98 87.930 9.948 14.298 1.00 0.00 O ATOM 1639 CB LYS A 98 90.936 8.858 13.475 1.00 0.00 C ATOM 1640 CG LYS A 98 91.968 7.743 13.534 1.00 0.00 C ATOM 1641 CD LYS A 98 93.385 8.295 13.497 1.00 0.00 C ATOM 1642 CE LYS A 98 94.421 7.182 13.475 1.00 0.00 C ATOM 1643 NZ LYS A 98 95.812 7.712 13.500 1.00 0.00 N ATOM 0 H LYS A 98 90.109 7.488 11.591 1.00 0.00 H new ATOM 0 HA LYS A 98 89.254 7.790 14.294 1.00 0.00 H new ATOM 0 HB2 LYS A 98 91.143 9.486 12.608 1.00 0.00 H new ATOM 0 HB3 LYS A 98 91.044 9.488 14.358 1.00 0.00 H new ATOM 0 HG2 LYS A 98 91.826 7.162 14.445 1.00 0.00 H new ATOM 0 HG3 LYS A 98 91.819 7.063 12.696 1.00 0.00 H new ATOM 0 HD2 LYS A 98 93.508 8.924 12.615 1.00 0.00 H new ATOM 0 HD3 LYS A 98 93.551 8.930 14.367 1.00 0.00 H new ATOM 0 HE2 LYS A 98 94.267 6.527 14.333 1.00 0.00 H new ATOM 0 HE3 LYS A 98 94.281 6.574 12.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 96.486 6.920 13.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 95.968 8.316 12.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 95.955 8.271 14.366 1.00 0.00 H new ATOM 1657 N LYS A 99 88.416 10.102 12.104 1.00 0.00 N ATOM 1658 CA LYS A 99 87.581 11.273 11.853 1.00 0.00 C ATOM 1659 C LYS A 99 86.119 11.005 12.194 1.00 0.00 C ATOM 1660 O LYS A 99 85.476 11.802 12.880 1.00 0.00 O ATOM 1661 CB LYS A 99 87.705 11.694 10.385 1.00 0.00 C ATOM 1662 CG LYS A 99 86.805 12.854 9.995 1.00 0.00 C ATOM 1663 CD LYS A 99 86.979 13.221 8.531 1.00 0.00 C ATOM 1664 CE LYS A 99 86.000 14.302 8.104 1.00 0.00 C ATOM 1665 NZ LYS A 99 84.589 13.833 8.161 1.00 0.00 N ATOM 0 H LYS A 99 88.894 9.750 11.274 1.00 0.00 H new ATOM 0 HA LYS A 99 87.932 12.079 12.498 1.00 0.00 H new ATOM 0 HB2 LYS A 99 88.741 11.967 10.183 1.00 0.00 H new ATOM 0 HB3 LYS A 99 87.472 10.838 9.752 1.00 0.00 H new ATOM 0 HG2 LYS A 99 85.765 12.589 10.184 1.00 0.00 H new ATOM 0 HG3 LYS A 99 87.032 13.719 10.618 1.00 0.00 H new ATOM 0 HD2 LYS A 99 87.999 13.565 8.361 1.00 0.00 H new ATOM 0 HD3 LYS A 99 86.835 12.334 7.914 1.00 0.00 H new ATOM 0 HE2 LYS A 99 86.118 15.173 8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 99 86.234 14.622 7.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 83.983 14.492 7.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 84.521 12.885 7.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 84.276 13.794 9.152 1.00 0.00 H new ATOM 1679 N ARG A 100 85.590 9.893 11.710 1.00 0.00 N ATOM 1680 CA ARG A 100 84.201 9.551 11.973 1.00 0.00 C ATOM 1681 C ARG A 100 84.048 8.979 13.379 1.00 0.00 C ATOM 1682 O ARG A 100 83.018 9.159 14.029 1.00 0.00 O ATOM 1683 CB ARG A 100 83.679 8.565 10.922 1.00 0.00 C ATOM 1684 CG ARG A 100 82.208 8.218 11.096 1.00 0.00 C ATOM 1685 CD ARG A 100 81.677 7.407 9.928 1.00 0.00 C ATOM 1686 NE ARG A 100 80.309 6.947 10.164 1.00 0.00 N ATOM 1687 CZ ARG A 100 79.467 6.562 9.209 1.00 0.00 C ATOM 1688 NH1 ARG A 100 79.813 6.635 7.928 1.00 0.00 N ATOM 1689 NH2 ARG A 100 78.263 6.117 9.542 1.00 0.00 N ATOM 0 H ARG A 100 86.096 9.217 11.138 1.00 0.00 H new ATOM 0 HA ARG A 100 83.604 10.461 11.909 1.00 0.00 H new ATOM 0 HB2 ARG A 100 83.829 8.990 9.930 1.00 0.00 H new ATOM 0 HB3 ARG A 100 84.269 7.649 10.969 1.00 0.00 H new ATOM 0 HG2 ARG A 100 82.074 7.655 12.020 1.00 0.00 H new ATOM 0 HG3 ARG A 100 81.628 9.135 11.195 1.00 0.00 H new ATOM 0 HD2 ARG A 100 81.706 8.012 9.022 1.00 0.00 H new ATOM 0 HD3 ARG A 100 82.325 6.547 9.758 1.00 0.00 H new ATOM 0 HE ARG A 100 79.977 6.919 11.128 1.00 0.00 H new ATOM 0 HH11 ARG A 100 80.733 6.989 7.668 1.00 0.00 H new ATOM 0 HH12 ARG A 100 79.158 6.337 7.205 1.00 0.00 H new ATOM 0 HH21 ARG A 100 77.989 6.072 10.524 1.00 0.00 H new ATOM 0 HH22 ARG A 100 77.611 5.820 8.817 1.00 0.00 H new ATOM 1703 N GLY A 101 85.090 8.318 13.860 1.00 0.00 N ATOM 1704 CA GLY A 101 85.047 7.734 15.182 1.00 0.00 C ATOM 1705 C GLY A 101 84.363 6.385 15.180 1.00 0.00 C ATOM 1706 O GLY A 101 83.515 6.106 16.030 1.00 0.00 O ATOM 0 H GLY A 101 85.966 8.176 13.357 1.00 0.00 H new ATOM 0 HA2 GLY A 101 86.062 7.626 15.564 1.00 0.00 H new ATOM 0 HA3 GLY A 101 84.521 8.407 15.859 1.00 0.00 H new