USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 780 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 49 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 53 TYR OH : rot 74:sc= -0.0818! USER MOD Set 2.1: A 21 THR OG1 : rot -179:sc= 0.00148 USER MOD Set 2.2: A 45 GLN : amide:sc= -2.14! C(o=-2.1!,f=-9.3!) USER MOD Single : A 10 ASN : amide:sc= -0.142 X(o=-0.14,f=-0.26) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 63:sc= 0.346 USER MOD Single : A 13 GLN :FLIP amide:sc= -1.31! C(o=-6.7!,f=-1.3!) USER MOD Single : A 15 THR OG1 : rot -85:sc= -2.76! USER MOD Single : A 17 THR OG1 : rot 74:sc= 0.279 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 ASN : amide:sc= -0.704 X(o=-0.7,f=-0.84) USER MOD Single : A 36 GLN :FLIP amide:sc= 0 F(o=-1.1!,f=0) USER MOD Single : A 39 GLN : amide:sc= -8.66! C(o=-8.7!,f=-8.3!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.222 K(o=-0.22,f=-1.6!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -131:sc= 1.39 (180deg=-0.943!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.487 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0368 USER MOD Single : A 67 THR OG1 : rot -69:sc= -0.858 USER MOD Single : A 68 MET CE :methyl 180:sc= -0.123 (180deg=-0.123) USER MOD Single : A 69 GLN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 70 THR OG1 : rot 62:sc= -0.887 USER MOD Single : A 73 ASN :FLIP amide:sc= -1.29 F(o=-2.5!,f=-1.3) USER MOD Single : A 74 SER OG : rot 100:sc= -0.0298 USER MOD Single : A 78 TYR OH : rot 30:sc= -0.554 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.035 USER MOD Single : A 81 SER OG : rot 180:sc= -0.0307 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0145) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00318) USER MOD Single : A 96 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.072) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.304 USER MOD Single : A 101 GLN : amide:sc= -0.196 K(o=-0.2,f=-0.77) USER MOD Single : A 105 SER OG : rot -124:sc= 0.0896 USER MOD ----------------------------------------------------------------- ATOM 105 N ASN A 10 77.694 -9.201 9.578 1.00 0.00 N ATOM 106 CA ASN A 10 77.927 -10.045 8.412 1.00 0.00 C ATOM 107 C ASN A 10 79.367 -9.911 7.930 1.00 0.00 C ATOM 108 O ASN A 10 80.047 -8.933 8.242 1.00 0.00 O ATOM 109 CB ASN A 10 76.968 -9.653 7.284 1.00 0.00 C ATOM 110 CG ASN A 10 75.611 -10.312 7.504 1.00 0.00 C ATOM 111 OD1 ASN A 10 75.267 -10.667 8.631 1.00 0.00 O ATOM 112 ND2 ASN A 10 74.814 -10.495 6.488 1.00 0.00 N ATOM 0 HA ASN A 10 77.749 -11.082 8.696 1.00 0.00 H new ATOM 0 HB2 ASN A 10 76.855 -8.569 7.251 1.00 0.00 H new ATOM 0 HB3 ASN A 10 77.379 -9.960 6.322 1.00 0.00 H new ATOM 0 HD21 ASN A 10 73.903 -10.933 6.627 1.00 0.00 H new ATOM 0 HD22 ASN A 10 75.101 -10.200 5.555 1.00 0.00 H new ATOM 119 N TYR A 11 79.826 -10.898 7.167 1.00 0.00 N ATOM 120 CA TYR A 11 81.189 -10.878 6.647 1.00 0.00 C ATOM 121 C TYR A 11 81.181 -10.832 5.122 1.00 0.00 C ATOM 122 O TYR A 11 81.462 -9.794 4.523 1.00 0.00 O ATOM 123 CB TYR A 11 81.947 -12.120 7.120 1.00 0.00 C ATOM 124 CG TYR A 11 83.015 -12.471 6.112 1.00 0.00 C ATOM 125 CD1 TYR A 11 83.982 -11.524 5.756 1.00 0.00 C ATOM 126 CD2 TYR A 11 83.038 -13.746 5.534 1.00 0.00 C ATOM 127 CE1 TYR A 11 84.972 -11.851 4.822 1.00 0.00 C ATOM 128 CE2 TYR A 11 84.028 -14.073 4.600 1.00 0.00 C ATOM 129 CZ TYR A 11 84.994 -13.126 4.244 1.00 0.00 C ATOM 130 OH TYR A 11 85.971 -13.448 3.323 1.00 0.00 O ATOM 0 H TYR A 11 79.279 -11.716 6.897 1.00 0.00 H new ATOM 0 HA TYR A 11 81.688 -9.984 7.022 1.00 0.00 H new ATOM 0 HB2 TYR A 11 82.398 -11.935 8.095 1.00 0.00 H new ATOM 0 HB3 TYR A 11 81.258 -12.956 7.242 1.00 0.00 H new ATOM 0 HD1 TYR A 11 83.964 -10.541 6.202 1.00 0.00 H new ATOM 0 HD2 TYR A 11 82.292 -14.477 5.809 1.00 0.00 H new ATOM 0 HE1 TYR A 11 85.718 -11.120 4.547 1.00 0.00 H new ATOM 0 HE2 TYR A 11 84.046 -15.057 4.154 1.00 0.00 H new ATOM 0 HH TYR A 11 85.844 -14.371 3.020 1.00 0.00 H new ATOM 140 N SER A 12 80.860 -11.962 4.499 1.00 0.00 N ATOM 141 CA SER A 12 80.821 -12.042 3.042 1.00 0.00 C ATOM 142 C SER A 12 79.733 -11.132 2.478 1.00 0.00 C ATOM 143 O SER A 12 80.016 -10.221 1.700 1.00 0.00 O ATOM 144 CB SER A 12 80.557 -13.483 2.606 1.00 0.00 C ATOM 145 OG SER A 12 81.746 -14.035 2.056 1.00 0.00 O ATOM 0 H SER A 12 80.624 -12.831 4.977 1.00 0.00 H new ATOM 0 HA SER A 12 81.786 -11.714 2.656 1.00 0.00 H new ATOM 0 HB2 SER A 12 80.227 -14.078 3.458 1.00 0.00 H new ATOM 0 HB3 SER A 12 79.755 -13.510 1.868 1.00 0.00 H new ATOM 0 HG SER A 12 82.442 -14.066 2.745 1.00 0.00 H new ATOM 151 N GLN A 13 78.489 -11.387 2.869 1.00 0.00 N ATOM 152 CA GLN A 13 77.368 -10.586 2.387 1.00 0.00 C ATOM 153 C GLN A 13 77.614 -9.099 2.633 1.00 0.00 C ATOM 154 O GLN A 13 77.305 -8.261 1.786 1.00 0.00 O ATOM 155 CB GLN A 13 76.077 -11.010 3.089 1.00 0.00 C ATOM 156 CG GLN A 13 75.576 -12.329 2.491 1.00 0.00 C ATOM 157 CD GLN A 13 76.758 -13.192 2.028 1.00 0.00 C ATOM 158 OE1 GLN A 13 77.571 -13.742 2.902 1.00 0.00 O flip ATOM 159 NE2 GLN A 13 76.948 -13.373 0.826 1.00 0.00 N flip ATOM 0 H GLN A 13 78.232 -12.135 3.513 1.00 0.00 H new ATOM 0 HA GLN A 13 77.272 -10.753 1.314 1.00 0.00 H new ATOM 0 HB2 GLN A 13 76.254 -11.128 4.158 1.00 0.00 H new ATOM 0 HB3 GLN A 13 75.318 -10.236 2.975 1.00 0.00 H new ATOM 0 HG2 GLN A 13 74.990 -12.872 3.232 1.00 0.00 H new ATOM 0 HG3 GLN A 13 74.915 -12.125 1.649 1.00 0.00 H new ATOM 0 HE21 GLN A 13 76.322 -12.950 0.141 1.00 0.00 H new ATOM 0 HE22 GLN A 13 77.732 -13.946 0.514 1.00 0.00 H new ATOM 168 N ASP A 14 78.162 -8.778 3.801 1.00 0.00 N ATOM 169 CA ASP A 14 78.433 -7.387 4.150 1.00 0.00 C ATOM 170 C ASP A 14 79.532 -6.805 3.270 1.00 0.00 C ATOM 171 O ASP A 14 79.437 -5.662 2.822 1.00 0.00 O ATOM 172 CB ASP A 14 78.850 -7.291 5.619 1.00 0.00 C ATOM 173 CG ASP A 14 80.155 -6.511 5.743 1.00 0.00 C ATOM 174 OD1 ASP A 14 81.199 -7.103 5.527 1.00 0.00 O ATOM 175 OD2 ASP A 14 80.090 -5.332 6.051 1.00 0.00 O ATOM 0 H ASP A 14 78.425 -9.455 4.517 1.00 0.00 H new ATOM 0 HA ASP A 14 77.521 -6.813 3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 14 78.067 -6.799 6.196 1.00 0.00 H new ATOM 0 HB3 ASP A 14 78.973 -8.290 6.036 1.00 0.00 H new ATOM 180 N THR A 15 80.578 -7.587 3.023 1.00 0.00 N ATOM 181 CA THR A 15 81.677 -7.112 2.193 1.00 0.00 C ATOM 182 C THR A 15 81.144 -6.527 0.892 1.00 0.00 C ATOM 183 O THR A 15 81.531 -5.431 0.496 1.00 0.00 O ATOM 184 CB THR A 15 82.647 -8.254 1.882 1.00 0.00 C ATOM 185 OG1 THR A 15 82.096 -9.480 2.340 1.00 0.00 O ATOM 186 CG2 THR A 15 83.981 -7.998 2.584 1.00 0.00 C ATOM 0 H THR A 15 80.687 -8.537 3.379 1.00 0.00 H new ATOM 0 HA THR A 15 82.208 -6.335 2.744 1.00 0.00 H new ATOM 0 HB THR A 15 82.810 -8.309 0.806 1.00 0.00 H new ATOM 0 HG1 THR A 15 82.314 -9.603 3.287 1.00 0.00 H new ATOM 0 HG21 THR A 15 84.671 -8.812 2.362 1.00 0.00 H new ATOM 0 HG22 THR A 15 84.403 -7.057 2.231 1.00 0.00 H new ATOM 0 HG23 THR A 15 83.821 -7.942 3.661 1.00 0.00 H new ATOM 194 N LEU A 16 80.249 -7.262 0.235 1.00 0.00 N ATOM 195 CA LEU A 16 79.670 -6.795 -1.022 1.00 0.00 C ATOM 196 C LEU A 16 78.878 -5.513 -0.799 1.00 0.00 C ATOM 197 O LEU A 16 78.946 -4.584 -1.602 1.00 0.00 O ATOM 198 CB LEU A 16 78.747 -7.862 -1.625 1.00 0.00 C ATOM 199 CG LEU A 16 79.087 -9.243 -1.061 1.00 0.00 C ATOM 200 CD1 LEU A 16 78.301 -10.309 -1.827 1.00 0.00 C ATOM 201 CD2 LEU A 16 80.587 -9.509 -1.218 1.00 0.00 C ATOM 0 H LEU A 16 79.912 -8.173 0.548 1.00 0.00 H new ATOM 0 HA LEU A 16 80.488 -6.599 -1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 16 77.707 -7.619 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU A 16 78.850 -7.870 -2.710 1.00 0.00 H new ATOM 0 HG LEU A 16 78.822 -9.278 -0.004 1.00 0.00 H new ATOM 0 HD11 LEU A 16 78.541 -11.295 -1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 16 77.233 -10.123 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 16 78.569 -10.270 -2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 16 80.826 -10.493 -0.815 1.00 0.00 H new ATOM 0 HD22 LEU A 16 80.854 -9.474 -2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 16 81.150 -8.749 -0.676 1.00 0.00 H new ATOM 213 N THR A 17 78.129 -5.469 0.297 1.00 0.00 N ATOM 214 CA THR A 17 77.332 -4.290 0.613 1.00 0.00 C ATOM 215 C THR A 17 78.229 -3.064 0.711 1.00 0.00 C ATOM 216 O THR A 17 77.941 -2.020 0.126 1.00 0.00 O ATOM 217 CB THR A 17 76.595 -4.494 1.938 1.00 0.00 C ATOM 218 OG1 THR A 17 75.720 -5.608 1.824 1.00 0.00 O ATOM 219 CG2 THR A 17 75.786 -3.240 2.273 1.00 0.00 C ATOM 0 H THR A 17 78.057 -6.227 0.975 1.00 0.00 H new ATOM 0 HA THR A 17 76.603 -4.138 -0.183 1.00 0.00 H new ATOM 0 HB THR A 17 77.319 -4.679 2.732 1.00 0.00 H new ATOM 0 HG1 THR A 17 76.243 -6.437 1.828 1.00 0.00 H new ATOM 0 HG21 THR A 17 75.262 -3.387 3.217 1.00 0.00 H new ATOM 0 HG22 THR A 17 76.458 -2.386 2.360 1.00 0.00 H new ATOM 0 HG23 THR A 17 75.061 -3.052 1.481 1.00 0.00 H new ATOM 227 N VAL A 18 79.320 -3.199 1.457 1.00 0.00 N ATOM 228 CA VAL A 18 80.259 -2.097 1.630 1.00 0.00 C ATOM 229 C VAL A 18 81.060 -1.860 0.351 1.00 0.00 C ATOM 230 O VAL A 18 81.161 -0.733 -0.128 1.00 0.00 O ATOM 231 CB VAL A 18 81.218 -2.403 2.782 1.00 0.00 C ATOM 232 CG1 VAL A 18 82.035 -1.152 3.112 1.00 0.00 C ATOM 233 CG2 VAL A 18 80.421 -2.828 4.019 1.00 0.00 C ATOM 0 H VAL A 18 79.575 -4.055 1.949 1.00 0.00 H new ATOM 0 HA VAL A 18 79.689 -1.197 1.858 1.00 0.00 H new ATOM 0 HB VAL A 18 81.888 -3.211 2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 18 82.718 -1.370 3.933 1.00 0.00 H new ATOM 0 HG12 VAL A 18 82.606 -0.849 2.235 1.00 0.00 H new ATOM 0 HG13 VAL A 18 81.363 -0.345 3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 18 81.108 -3.045 4.837 1.00 0.00 H new ATOM 0 HG22 VAL A 18 79.749 -2.022 4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 18 79.839 -3.720 3.788 1.00 0.00 H new ATOM 243 N ILE A 19 81.633 -2.932 -0.192 1.00 0.00 N ATOM 244 CA ILE A 19 82.432 -2.831 -1.411 1.00 0.00 C ATOM 245 C ILE A 19 81.646 -2.191 -2.533 1.00 0.00 C ATOM 246 O ILE A 19 82.199 -1.433 -3.329 1.00 0.00 O ATOM 247 CB ILE A 19 82.914 -4.225 -1.840 1.00 0.00 C ATOM 248 CG1 ILE A 19 84.198 -4.563 -1.077 1.00 0.00 C ATOM 249 CG2 ILE A 19 83.198 -4.251 -3.348 1.00 0.00 C ATOM 250 CD1 ILE A 19 84.597 -6.015 -1.346 1.00 0.00 C ATOM 0 H ILE A 19 81.560 -3.875 0.190 1.00 0.00 H new ATOM 0 HA ILE A 19 83.293 -2.198 -1.197 1.00 0.00 H new ATOM 0 HB ILE A 19 82.138 -4.957 -1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 19 85.001 -3.893 -1.385 1.00 0.00 H new ATOM 0 HG13 ILE A 19 84.047 -4.410 -0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 19 83.539 -5.245 -3.637 1.00 0.00 H new ATOM 0 HG22 ILE A 19 82.287 -4.007 -3.894 1.00 0.00 H new ATOM 0 HG23 ILE A 19 83.970 -3.520 -3.585 1.00 0.00 H new ATOM 0 HD11 ILE A 19 85.511 -6.248 -0.800 1.00 0.00 H new ATOM 0 HD12 ILE A 19 83.798 -6.679 -1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 19 84.767 -6.154 -2.414 1.00 0.00 H new ATOM 262 N ALA A 20 80.368 -2.500 -2.614 1.00 0.00 N ATOM 263 CA ALA A 20 79.559 -1.947 -3.679 1.00 0.00 C ATOM 264 C ALA A 20 79.624 -0.426 -3.673 1.00 0.00 C ATOM 265 O ALA A 20 79.700 0.201 -4.729 1.00 0.00 O ATOM 266 CB ALA A 20 78.109 -2.411 -3.544 1.00 0.00 C ATOM 0 H ALA A 20 79.875 -3.118 -1.969 1.00 0.00 H new ATOM 0 HA ALA A 20 79.957 -2.306 -4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 20 77.514 -1.986 -4.353 1.00 0.00 H new ATOM 0 HB2 ALA A 20 78.069 -3.499 -3.597 1.00 0.00 H new ATOM 0 HB3 ALA A 20 77.709 -2.079 -2.586 1.00 0.00 H new ATOM 272 N THR A 21 79.604 0.164 -2.486 1.00 0.00 N ATOM 273 CA THR A 21 79.673 1.614 -2.375 1.00 0.00 C ATOM 274 C THR A 21 81.086 2.105 -2.671 1.00 0.00 C ATOM 275 O THR A 21 81.274 3.212 -3.171 1.00 0.00 O ATOM 276 CB THR A 21 79.256 2.056 -0.970 1.00 0.00 C ATOM 277 OG1 THR A 21 78.196 1.230 -0.512 1.00 0.00 O ATOM 278 CG2 THR A 21 78.793 3.513 -1.009 1.00 0.00 C ATOM 0 H THR A 21 79.541 -0.332 -1.597 1.00 0.00 H new ATOM 0 HA THR A 21 78.989 2.048 -3.105 1.00 0.00 H new ATOM 0 HB THR A 21 80.105 1.966 -0.292 1.00 0.00 H new ATOM 0 HG1 THR A 21 77.918 1.520 0.382 1.00 0.00 H new ATOM 0 HG21 THR A 21 78.496 3.827 -0.008 1.00 0.00 H new ATOM 0 HG22 THR A 21 79.609 4.145 -1.361 1.00 0.00 H new ATOM 0 HG23 THR A 21 77.944 3.607 -1.686 1.00 0.00 H new ATOM 286 N LEU A 22 82.076 1.274 -2.354 1.00 0.00 N ATOM 287 CA LEU A 22 83.470 1.638 -2.587 1.00 0.00 C ATOM 288 C LEU A 22 83.793 1.638 -4.077 1.00 0.00 C ATOM 289 O LEU A 22 84.344 2.606 -4.599 1.00 0.00 O ATOM 290 CB LEU A 22 84.385 0.644 -1.877 1.00 0.00 C ATOM 291 CG LEU A 22 84.136 0.704 -0.368 1.00 0.00 C ATOM 292 CD1 LEU A 22 84.998 -0.346 0.334 1.00 0.00 C ATOM 293 CD2 LEU A 22 84.501 2.095 0.152 1.00 0.00 C ATOM 0 H LEU A 22 81.940 0.352 -1.939 1.00 0.00 H new ATOM 0 HA LEU A 22 83.630 2.642 -2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 22 84.199 -0.365 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 22 85.428 0.876 -2.093 1.00 0.00 H new ATOM 0 HG LEU A 22 83.084 0.504 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 22 84.821 -0.303 1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 22 84.738 -1.337 -0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 22 86.050 -0.147 0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 22 84.324 2.140 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 22 85.553 2.295 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 22 83.886 2.843 -0.348 1.00 0.00 H new ATOM 305 N ARG A 23 83.442 0.552 -4.757 1.00 0.00 N ATOM 306 CA ARG A 23 83.697 0.453 -6.188 1.00 0.00 C ATOM 307 C ARG A 23 82.944 1.554 -6.911 1.00 0.00 C ATOM 308 O ARG A 23 83.378 2.036 -7.958 1.00 0.00 O ATOM 309 CB ARG A 23 83.258 -0.921 -6.727 1.00 0.00 C ATOM 310 CG ARG A 23 83.630 -2.030 -5.717 1.00 0.00 C ATOM 311 CD ARG A 23 84.395 -3.200 -6.374 1.00 0.00 C ATOM 312 NE ARG A 23 83.568 -4.401 -6.376 1.00 0.00 N ATOM 313 CZ ARG A 23 82.424 -4.448 -7.049 1.00 0.00 C ATOM 314 NH1 ARG A 23 82.017 -3.404 -7.720 1.00 0.00 N ATOM 315 NH2 ARG A 23 81.706 -5.538 -7.040 1.00 0.00 N ATOM 0 H ARG A 23 82.986 -0.262 -4.346 1.00 0.00 H new ATOM 0 HA ARG A 23 84.767 0.563 -6.362 1.00 0.00 H new ATOM 0 HB2 ARG A 23 82.182 -0.925 -6.903 1.00 0.00 H new ATOM 0 HB3 ARG A 23 83.739 -1.115 -7.686 1.00 0.00 H new ATOM 0 HG2 ARG A 23 84.241 -1.602 -4.922 1.00 0.00 H new ATOM 0 HG3 ARG A 23 82.721 -2.411 -5.251 1.00 0.00 H new ATOM 0 HD2 ARG A 23 84.670 -2.937 -7.395 1.00 0.00 H new ATOM 0 HD3 ARG A 23 85.322 -3.388 -5.833 1.00 0.00 H new ATOM 0 HE ARG A 23 83.874 -5.220 -5.851 1.00 0.00 H new ATOM 0 HH11 ARG A 23 82.578 -2.552 -7.727 1.00 0.00 H new ATOM 0 HH12 ARG A 23 81.138 -3.441 -8.237 1.00 0.00 H new ATOM 0 HH21 ARG A 23 82.024 -6.354 -6.516 1.00 0.00 H new ATOM 0 HH22 ARG A 23 80.827 -5.574 -7.557 1.00 0.00 H new ATOM 329 N GLU A 24 81.815 1.953 -6.340 1.00 0.00 N ATOM 330 CA GLU A 24 81.012 3.008 -6.938 1.00 0.00 C ATOM 331 C GLU A 24 81.629 4.370 -6.668 1.00 0.00 C ATOM 332 O GLU A 24 81.552 5.273 -7.493 1.00 0.00 O ATOM 333 CB GLU A 24 79.588 2.968 -6.380 1.00 0.00 C ATOM 334 CG GLU A 24 78.646 2.372 -7.428 1.00 0.00 C ATOM 335 CD GLU A 24 79.108 0.968 -7.807 1.00 0.00 C ATOM 336 OE1 GLU A 24 80.045 0.487 -7.190 1.00 0.00 O ATOM 337 OE2 GLU A 24 78.519 0.395 -8.709 1.00 0.00 O ATOM 0 H GLU A 24 81.439 1.567 -5.474 1.00 0.00 H new ATOM 0 HA GLU A 24 80.981 2.844 -8.015 1.00 0.00 H new ATOM 0 HB2 GLU A 24 79.560 2.371 -5.469 1.00 0.00 H new ATOM 0 HB3 GLU A 24 79.262 3.973 -6.113 1.00 0.00 H new ATOM 0 HG2 GLU A 24 77.629 2.336 -7.036 1.00 0.00 H new ATOM 0 HG3 GLU A 24 78.624 3.008 -8.313 1.00 0.00 H new ATOM 344 N ALA A 25 82.229 4.505 -5.503 1.00 0.00 N ATOM 345 CA ALA A 25 82.847 5.767 -5.108 1.00 0.00 C ATOM 346 C ALA A 25 84.048 6.112 -5.986 1.00 0.00 C ATOM 347 O ALA A 25 84.337 7.288 -6.212 1.00 0.00 O ATOM 348 CB ALA A 25 83.297 5.697 -3.647 1.00 0.00 C ATOM 0 H ALA A 25 82.305 3.761 -4.810 1.00 0.00 H new ATOM 0 HA ALA A 25 82.097 6.548 -5.233 1.00 0.00 H new ATOM 0 HB1 ALA A 25 83.757 6.643 -3.362 1.00 0.00 H new ATOM 0 HB2 ALA A 25 82.434 5.506 -3.009 1.00 0.00 H new ATOM 0 HB3 ALA A 25 84.021 4.891 -3.528 1.00 0.00 H new ATOM 354 N ILE A 26 84.755 5.096 -6.466 1.00 0.00 N ATOM 355 CA ILE A 26 85.929 5.341 -7.297 1.00 0.00 C ATOM 356 C ILE A 26 85.538 5.730 -8.716 1.00 0.00 C ATOM 357 O ILE A 26 86.238 6.507 -9.364 1.00 0.00 O ATOM 358 CB ILE A 26 86.831 4.106 -7.332 1.00 0.00 C ATOM 359 CG1 ILE A 26 88.294 4.559 -7.413 1.00 0.00 C ATOM 360 CG2 ILE A 26 86.490 3.243 -8.550 1.00 0.00 C ATOM 361 CD1 ILE A 26 89.152 3.457 -8.037 1.00 0.00 C ATOM 0 H ILE A 26 84.542 4.112 -6.299 1.00 0.00 H new ATOM 0 HA ILE A 26 86.474 6.173 -6.851 1.00 0.00 H new ATOM 0 HB ILE A 26 86.676 3.516 -6.429 1.00 0.00 H new ATOM 0 HG12 ILE A 26 88.368 5.469 -8.008 1.00 0.00 H new ATOM 0 HG13 ILE A 26 88.664 4.798 -6.416 1.00 0.00 H new ATOM 0 HG21 ILE A 26 87.137 2.366 -8.567 1.00 0.00 H new ATOM 0 HG22 ILE A 26 85.449 2.925 -8.491 1.00 0.00 H new ATOM 0 HG23 ILE A 26 86.641 3.823 -9.461 1.00 0.00 H new ATOM 0 HD11 ILE A 26 90.189 3.789 -8.090 1.00 0.00 H new ATOM 0 HD12 ILE A 26 89.090 2.557 -7.425 1.00 0.00 H new ATOM 0 HD13 ILE A 26 88.789 3.238 -9.041 1.00 0.00 H new ATOM 373 N ASP A 27 84.429 5.190 -9.207 1.00 0.00 N ATOM 374 CA ASP A 27 84.001 5.515 -10.565 1.00 0.00 C ATOM 375 C ASP A 27 82.558 5.097 -10.824 1.00 0.00 C ATOM 376 O ASP A 27 82.257 4.500 -11.857 1.00 0.00 O ATOM 377 CB ASP A 27 84.915 4.821 -11.575 1.00 0.00 C ATOM 378 CG ASP A 27 84.802 3.308 -11.428 1.00 0.00 C ATOM 379 OD1 ASP A 27 83.992 2.869 -10.627 1.00 0.00 O ATOM 380 OD2 ASP A 27 85.525 2.609 -12.118 1.00 0.00 O ATOM 0 H ASP A 27 83.823 4.542 -8.703 1.00 0.00 H new ATOM 0 HA ASP A 27 84.064 6.597 -10.678 1.00 0.00 H new ATOM 0 HB2 ASP A 27 84.642 5.117 -12.588 1.00 0.00 H new ATOM 0 HB3 ASP A 27 85.947 5.134 -11.418 1.00 0.00 H new ATOM 385 N LEU A 28 81.667 5.417 -9.896 1.00 0.00 N ATOM 386 CA LEU A 28 80.263 5.063 -10.070 1.00 0.00 C ATOM 387 C LEU A 28 79.804 5.401 -11.489 1.00 0.00 C ATOM 388 O LEU A 28 80.350 6.302 -12.124 1.00 0.00 O ATOM 389 CB LEU A 28 79.381 5.810 -9.064 1.00 0.00 C ATOM 390 CG LEU A 28 79.919 7.220 -8.816 1.00 0.00 C ATOM 391 CD1 LEU A 28 79.821 8.055 -10.095 1.00 0.00 C ATOM 392 CD2 LEU A 28 79.080 7.869 -7.719 1.00 0.00 C ATOM 0 H LEU A 28 81.884 5.911 -9.031 1.00 0.00 H new ATOM 0 HA LEU A 28 80.165 3.991 -9.899 1.00 0.00 H new ATOM 0 HB2 LEU A 28 78.359 5.866 -9.440 1.00 0.00 H new ATOM 0 HB3 LEU A 28 79.345 5.259 -8.124 1.00 0.00 H new ATOM 0 HG LEU A 28 80.965 7.167 -8.514 1.00 0.00 H new ATOM 0 HD11 LEU A 28 80.207 9.057 -9.906 1.00 0.00 H new ATOM 0 HD12 LEU A 28 80.407 7.583 -10.883 1.00 0.00 H new ATOM 0 HD13 LEU A 28 78.779 8.121 -10.408 1.00 0.00 H new ATOM 0 HD21 LEU A 28 79.449 8.877 -7.527 1.00 0.00 H new ATOM 0 HD22 LEU A 28 78.039 7.918 -8.038 1.00 0.00 H new ATOM 0 HD23 LEU A 28 79.152 7.277 -6.807 1.00 0.00 H new ATOM 404 N PRO A 29 78.815 4.710 -11.992 1.00 0.00 N ATOM 405 CA PRO A 29 78.278 4.964 -13.361 1.00 0.00 C ATOM 406 C PRO A 29 77.834 6.414 -13.529 1.00 0.00 C ATOM 407 O PRO A 29 77.581 7.113 -12.547 1.00 0.00 O ATOM 408 CB PRO A 29 77.086 4.004 -13.489 1.00 0.00 C ATOM 409 CG PRO A 29 76.793 3.523 -12.105 1.00 0.00 C ATOM 410 CD PRO A 29 78.100 3.615 -11.325 1.00 0.00 C ATOM 0 HA PRO A 29 79.031 4.799 -14.132 1.00 0.00 H new ATOM 0 HB2 PRO A 29 76.221 4.511 -13.917 1.00 0.00 H new ATOM 0 HB3 PRO A 29 77.326 3.170 -14.149 1.00 0.00 H new ATOM 0 HG2 PRO A 29 76.020 4.133 -11.638 1.00 0.00 H new ATOM 0 HG3 PRO A 29 76.423 2.498 -12.121 1.00 0.00 H new ATOM 0 HD2 PRO A 29 77.925 3.832 -10.271 1.00 0.00 H new ATOM 0 HD3 PRO A 29 78.662 2.682 -11.370 1.00 0.00 H new ATOM 418 N GLN A 30 77.744 6.862 -14.776 1.00 0.00 N ATOM 419 CA GLN A 30 77.332 8.234 -15.057 1.00 0.00 C ATOM 420 C GLN A 30 75.941 8.512 -14.494 1.00 0.00 C ATOM 421 O GLN A 30 75.395 9.600 -14.680 1.00 0.00 O ATOM 422 CB GLN A 30 77.336 8.481 -16.565 1.00 0.00 C ATOM 423 CG GLN A 30 78.704 9.024 -16.983 1.00 0.00 C ATOM 424 CD GLN A 30 78.855 8.946 -18.499 1.00 0.00 C ATOM 425 OE1 GLN A 30 78.420 9.848 -19.215 1.00 0.00 O ATOM 426 NE2 GLN A 30 79.452 7.915 -19.033 1.00 0.00 N ATOM 0 H GLN A 30 77.949 6.301 -15.603 1.00 0.00 H new ATOM 0 HA GLN A 30 78.041 8.908 -14.576 1.00 0.00 H new ATOM 0 HB2 GLN A 30 77.121 7.555 -17.098 1.00 0.00 H new ATOM 0 HB3 GLN A 30 76.553 9.191 -16.831 1.00 0.00 H new ATOM 0 HG2 GLN A 30 78.811 10.057 -16.651 1.00 0.00 H new ATOM 0 HG3 GLN A 30 79.495 8.450 -16.500 1.00 0.00 H new ATOM 0 HE21 GLN A 30 79.812 7.169 -18.438 1.00 0.00 H new ATOM 0 HE22 GLN A 30 79.559 7.856 -20.046 1.00 0.00 H new ATOM 435 N ASP A 31 75.373 7.528 -13.805 1.00 0.00 N ATOM 436 CA ASP A 31 74.046 7.686 -13.221 1.00 0.00 C ATOM 437 C ASP A 31 74.144 8.312 -11.832 1.00 0.00 C ATOM 438 O ASP A 31 73.138 8.474 -11.140 1.00 0.00 O ATOM 439 CB ASP A 31 73.354 6.325 -13.122 1.00 0.00 C ATOM 440 CG ASP A 31 72.100 6.312 -13.989 1.00 0.00 C ATOM 441 OD1 ASP A 31 72.241 6.228 -15.199 1.00 0.00 O ATOM 442 OD2 ASP A 31 71.018 6.384 -13.432 1.00 0.00 O ATOM 0 H ASP A 31 75.806 6.620 -13.638 1.00 0.00 H new ATOM 0 HA ASP A 31 73.462 8.344 -13.864 1.00 0.00 H new ATOM 0 HB2 ASP A 31 74.036 5.537 -13.443 1.00 0.00 H new ATOM 0 HB3 ASP A 31 73.091 6.116 -12.085 1.00 0.00 H new ATOM 447 N ALA A 32 75.361 8.666 -11.433 1.00 0.00 N ATOM 448 CA ALA A 32 75.584 9.278 -10.128 1.00 0.00 C ATOM 449 C ALA A 32 76.565 10.441 -10.253 1.00 0.00 C ATOM 450 O ALA A 32 77.719 10.329 -9.841 1.00 0.00 O ATOM 451 CB ALA A 32 76.149 8.241 -9.154 1.00 0.00 C ATOM 0 H ALA A 32 76.205 8.540 -11.992 1.00 0.00 H new ATOM 0 HA ALA A 32 74.631 9.650 -9.751 1.00 0.00 H new ATOM 0 HB1 ALA A 32 76.313 8.706 -8.182 1.00 0.00 H new ATOM 0 HB2 ALA A 32 75.442 7.418 -9.048 1.00 0.00 H new ATOM 0 HB3 ALA A 32 77.095 7.859 -9.537 1.00 0.00 H new ATOM 457 N PRO A 33 76.144 11.548 -10.816 1.00 0.00 N ATOM 458 CA PRO A 33 77.032 12.733 -10.990 1.00 0.00 C ATOM 459 C PRO A 33 77.420 13.358 -9.654 1.00 0.00 C ATOM 460 O PRO A 33 77.568 14.575 -9.542 1.00 0.00 O ATOM 461 CB PRO A 33 76.206 13.705 -11.839 1.00 0.00 C ATOM 462 CG PRO A 33 74.783 13.283 -11.682 1.00 0.00 C ATOM 463 CD PRO A 33 74.789 11.792 -11.340 1.00 0.00 C ATOM 0 HA PRO A 33 77.978 12.465 -11.461 1.00 0.00 H new ATOM 0 HB2 PRO A 33 76.347 14.733 -11.504 1.00 0.00 H new ATOM 0 HB3 PRO A 33 76.511 13.666 -12.885 1.00 0.00 H new ATOM 0 HG2 PRO A 33 74.296 13.857 -10.893 1.00 0.00 H new ATOM 0 HG3 PRO A 33 74.224 13.465 -12.600 1.00 0.00 H new ATOM 0 HD2 PRO A 33 74.026 11.550 -10.600 1.00 0.00 H new ATOM 0 HD3 PRO A 33 74.586 11.181 -12.219 1.00 0.00 H new ATOM 471 N ASN A 34 77.589 12.510 -8.644 1.00 0.00 N ATOM 472 CA ASN A 34 77.966 12.977 -7.316 1.00 0.00 C ATOM 473 C ASN A 34 78.899 11.970 -6.650 1.00 0.00 C ATOM 474 O ASN A 34 78.584 11.416 -5.597 1.00 0.00 O ATOM 475 CB ASN A 34 76.714 13.173 -6.458 1.00 0.00 C ATOM 476 CG ASN A 34 75.598 13.785 -7.299 1.00 0.00 C ATOM 477 OD1 ASN A 34 75.596 14.990 -7.544 1.00 0.00 O ATOM 478 ND2 ASN A 34 74.646 13.021 -7.760 1.00 0.00 N ATOM 0 H ASN A 34 77.471 11.500 -8.720 1.00 0.00 H new ATOM 0 HA ASN A 34 78.486 13.930 -7.412 1.00 0.00 H new ATOM 0 HB2 ASN A 34 76.390 12.216 -6.049 1.00 0.00 H new ATOM 0 HB3 ASN A 34 76.941 13.821 -5.612 1.00 0.00 H new ATOM 0 HD21 ASN A 34 73.898 13.423 -8.325 1.00 0.00 H new ATOM 0 HD22 ASN A 34 74.650 12.022 -7.555 1.00 0.00 H new ATOM 485 N ARG A 35 80.048 11.742 -7.277 1.00 0.00 N ATOM 486 CA ARG A 35 81.029 10.799 -6.747 1.00 0.00 C ATOM 487 C ARG A 35 81.370 11.138 -5.298 1.00 0.00 C ATOM 488 O ARG A 35 81.810 10.277 -4.537 1.00 0.00 O ATOM 489 CB ARG A 35 82.307 10.828 -7.596 1.00 0.00 C ATOM 490 CG ARG A 35 82.323 12.071 -8.492 1.00 0.00 C ATOM 491 CD ARG A 35 81.486 11.812 -9.750 1.00 0.00 C ATOM 492 NE ARG A 35 81.022 13.075 -10.315 1.00 0.00 N ATOM 493 CZ ARG A 35 80.714 13.179 -11.603 1.00 0.00 C ATOM 494 NH1 ARG A 35 80.813 12.140 -12.385 1.00 0.00 N ATOM 495 NH2 ARG A 35 80.309 14.321 -12.087 1.00 0.00 N ATOM 0 H ARG A 35 80.323 12.194 -8.149 1.00 0.00 H new ATOM 0 HA ARG A 35 80.596 9.800 -6.784 1.00 0.00 H new ATOM 0 HB2 ARG A 35 83.183 10.828 -6.947 1.00 0.00 H new ATOM 0 HB3 ARG A 35 82.365 9.929 -8.209 1.00 0.00 H new ATOM 0 HG2 ARG A 35 81.925 12.928 -7.949 1.00 0.00 H new ATOM 0 HG3 ARG A 35 83.348 12.318 -8.770 1.00 0.00 H new ATOM 0 HD2 ARG A 35 82.081 11.272 -10.487 1.00 0.00 H new ATOM 0 HD3 ARG A 35 80.633 11.180 -9.504 1.00 0.00 H new ATOM 0 HE ARG A 35 80.933 13.892 -9.711 1.00 0.00 H new ATOM 0 HH11 ARG A 35 81.127 11.246 -12.008 1.00 0.00 H new ATOM 0 HH12 ARG A 35 80.576 12.221 -13.374 1.00 0.00 H new ATOM 0 HH21 ARG A 35 80.229 15.134 -11.476 1.00 0.00 H new ATOM 0 HH22 ARG A 35 80.073 14.401 -13.076 1.00 0.00 H new ATOM 509 N GLN A 36 81.171 12.398 -4.928 1.00 0.00 N ATOM 510 CA GLN A 36 81.467 12.845 -3.571 1.00 0.00 C ATOM 511 C GLN A 36 80.384 12.396 -2.590 1.00 0.00 C ATOM 512 O GLN A 36 80.685 11.943 -1.485 1.00 0.00 O ATOM 513 CB GLN A 36 81.578 14.372 -3.539 1.00 0.00 C ATOM 514 CG GLN A 36 81.919 14.830 -2.120 1.00 0.00 C ATOM 515 CD GLN A 36 82.356 16.292 -2.136 1.00 0.00 C ATOM 516 OE1 GLN A 36 82.199 16.998 -3.222 1.00 0.00 O flip ATOM 517 NE2 GLN A 36 82.852 16.803 -1.133 1.00 0.00 N flip ATOM 0 H GLN A 36 80.808 13.125 -5.544 1.00 0.00 H new ATOM 0 HA GLN A 36 82.414 12.397 -3.269 1.00 0.00 H new ATOM 0 HB2 GLN A 36 82.348 14.706 -4.235 1.00 0.00 H new ATOM 0 HB3 GLN A 36 80.639 14.822 -3.862 1.00 0.00 H new ATOM 0 HG2 GLN A 36 81.052 14.708 -1.471 1.00 0.00 H new ATOM 0 HG3 GLN A 36 82.715 14.208 -1.709 1.00 0.00 H new ATOM 0 HE21 GLN A 36 82.974 16.249 -0.285 1.00 0.00 H new ATOM 0 HE22 GLN A 36 83.142 17.781 -1.149 1.00 0.00 H new ATOM 526 N GLU A 37 79.126 12.539 -2.993 1.00 0.00 N ATOM 527 CA GLU A 37 78.008 12.161 -2.132 1.00 0.00 C ATOM 528 C GLU A 37 77.959 10.653 -1.908 1.00 0.00 C ATOM 529 O GLU A 37 77.942 10.189 -0.767 1.00 0.00 O ATOM 530 CB GLU A 37 76.690 12.628 -2.751 1.00 0.00 C ATOM 531 CG GLU A 37 76.567 14.146 -2.610 1.00 0.00 C ATOM 532 CD GLU A 37 75.768 14.491 -1.358 1.00 0.00 C ATOM 533 OE1 GLU A 37 76.231 14.169 -0.275 1.00 0.00 O ATOM 534 OE2 GLU A 37 74.706 15.073 -1.498 1.00 0.00 O ATOM 0 H GLU A 37 78.855 12.911 -3.903 1.00 0.00 H new ATOM 0 HA GLU A 37 78.155 12.645 -1.166 1.00 0.00 H new ATOM 0 HB2 GLU A 37 76.650 12.346 -3.803 1.00 0.00 H new ATOM 0 HB3 GLU A 37 75.851 12.138 -2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 37 77.558 14.596 -2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.077 14.563 -3.490 1.00 0.00 H new ATOM 541 N VAL A 38 77.930 9.891 -2.995 1.00 0.00 N ATOM 542 CA VAL A 38 77.876 8.439 -2.882 1.00 0.00 C ATOM 543 C VAL A 38 78.941 7.946 -1.912 1.00 0.00 C ATOM 544 O VAL A 38 78.720 6.994 -1.164 1.00 0.00 O ATOM 545 CB VAL A 38 78.090 7.801 -4.253 1.00 0.00 C ATOM 546 CG1 VAL A 38 77.999 6.279 -4.129 1.00 0.00 C ATOM 547 CG2 VAL A 38 77.016 8.298 -5.222 1.00 0.00 C ATOM 0 H VAL A 38 77.943 10.247 -3.951 1.00 0.00 H new ATOM 0 HA VAL A 38 76.894 8.154 -2.503 1.00 0.00 H new ATOM 0 HB VAL A 38 79.075 8.076 -4.630 1.00 0.00 H new ATOM 0 HG11 VAL A 38 78.152 5.824 -5.108 1.00 0.00 H new ATOM 0 HG12 VAL A 38 78.765 5.924 -3.440 1.00 0.00 H new ATOM 0 HG13 VAL A 38 77.015 6.003 -3.750 1.00 0.00 H new ATOM 0 HG21 VAL A 38 77.169 7.842 -6.200 1.00 0.00 H new ATOM 0 HG22 VAL A 38 76.031 8.024 -4.845 1.00 0.00 H new ATOM 0 HG23 VAL A 38 77.081 9.382 -5.313 1.00 0.00 H new ATOM 557 N GLN A 39 80.095 8.607 -1.920 1.00 0.00 N ATOM 558 CA GLN A 39 81.181 8.229 -1.025 1.00 0.00 C ATOM 559 C GLN A 39 80.749 8.403 0.427 1.00 0.00 C ATOM 560 O GLN A 39 81.201 7.677 1.311 1.00 0.00 O ATOM 561 CB GLN A 39 82.418 9.087 -1.301 1.00 0.00 C ATOM 562 CG GLN A 39 83.610 8.538 -0.512 1.00 0.00 C ATOM 563 CD GLN A 39 84.853 9.374 -0.795 1.00 0.00 C ATOM 564 OE1 GLN A 39 85.951 9.023 -0.364 1.00 0.00 O ATOM 565 NE2 GLN A 39 84.746 10.469 -1.499 1.00 0.00 N ATOM 0 H GLN A 39 80.300 9.399 -2.530 1.00 0.00 H new ATOM 0 HA GLN A 39 81.428 7.182 -1.202 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.643 9.086 -2.367 1.00 0.00 H new ATOM 0 HB3 GLN A 39 82.226 10.122 -1.017 1.00 0.00 H new ATOM 0 HG2 GLN A 39 83.388 8.552 0.555 1.00 0.00 H new ATOM 0 HG3 GLN A 39 83.791 7.499 -0.786 1.00 0.00 H new ATOM 0 HE21 GLN A 39 83.835 10.759 -1.856 1.00 0.00 H new ATOM 0 HE22 GLN A 39 85.573 11.034 -1.692 1.00 0.00 H new ATOM 574 N ASP A 40 79.864 9.369 0.664 1.00 0.00 N ATOM 575 CA ASP A 40 79.373 9.625 2.014 1.00 0.00 C ATOM 576 C ASP A 40 78.593 8.422 2.534 1.00 0.00 C ATOM 577 O ASP A 40 78.662 8.090 3.718 1.00 0.00 O ATOM 578 CB ASP A 40 78.473 10.863 2.018 1.00 0.00 C ATOM 579 CG ASP A 40 78.463 11.498 3.404 1.00 0.00 C ATOM 580 OD1 ASP A 40 78.495 10.757 4.373 1.00 0.00 O ATOM 581 OD2 ASP A 40 78.425 12.715 3.477 1.00 0.00 O ATOM 0 H ASP A 40 79.476 9.981 -0.054 1.00 0.00 H new ATOM 0 HA ASP A 40 80.229 9.799 2.666 1.00 0.00 H new ATOM 0 HB2 ASP A 40 78.829 11.584 1.282 1.00 0.00 H new ATOM 0 HB3 ASP A 40 77.459 10.586 1.729 1.00 0.00 H new ATOM 586 N THR A 41 77.854 7.770 1.642 1.00 0.00 N ATOM 587 CA THR A 41 77.067 6.603 2.021 1.00 0.00 C ATOM 588 C THR A 41 77.979 5.489 2.522 1.00 0.00 C ATOM 589 O THR A 41 77.640 4.773 3.464 1.00 0.00 O ATOM 590 CB THR A 41 76.255 6.108 0.822 1.00 0.00 C ATOM 591 OG1 THR A 41 75.188 7.012 0.571 1.00 0.00 O ATOM 592 CG2 THR A 41 75.687 4.720 1.122 1.00 0.00 C ATOM 0 H THR A 41 77.784 8.028 0.658 1.00 0.00 H new ATOM 0 HA THR A 41 76.386 6.888 2.823 1.00 0.00 H new ATOM 0 HB THR A 41 76.901 6.051 -0.054 1.00 0.00 H new ATOM 0 HG1 THR A 41 74.667 6.698 -0.198 1.00 0.00 H new ATOM 0 HG21 THR A 41 75.109 4.371 0.266 1.00 0.00 H new ATOM 0 HG22 THR A 41 76.505 4.026 1.315 1.00 0.00 H new ATOM 0 HG23 THR A 41 75.041 4.773 1.998 1.00 0.00 H new ATOM 600 N ALA A 42 79.141 5.353 1.891 1.00 0.00 N ATOM 601 CA ALA A 42 80.096 4.328 2.292 1.00 0.00 C ATOM 602 C ALA A 42 80.615 4.613 3.697 1.00 0.00 C ATOM 603 O ALA A 42 80.875 3.694 4.474 1.00 0.00 O ATOM 604 CB ALA A 42 81.268 4.289 1.309 1.00 0.00 C ATOM 0 H ALA A 42 79.441 5.933 1.108 1.00 0.00 H new ATOM 0 HA ALA A 42 79.592 3.362 2.288 1.00 0.00 H new ATOM 0 HB1 ALA A 42 81.976 3.520 1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 42 80.897 4.061 0.310 1.00 0.00 H new ATOM 0 HB3 ALA A 42 81.767 5.258 1.299 1.00 0.00 H new ATOM 610 N ARG A 43 80.756 5.896 4.017 1.00 0.00 N ATOM 611 CA ARG A 43 81.237 6.297 5.332 1.00 0.00 C ATOM 612 C ARG A 43 80.314 5.759 6.419 1.00 0.00 C ATOM 613 O ARG A 43 80.764 5.378 7.500 1.00 0.00 O ATOM 614 CB ARG A 43 81.298 7.825 5.419 1.00 0.00 C ATOM 615 CG ARG A 43 82.342 8.240 6.458 1.00 0.00 C ATOM 616 CD ARG A 43 82.369 9.766 6.572 1.00 0.00 C ATOM 617 NE ARG A 43 83.708 10.272 6.289 1.00 0.00 N ATOM 618 CZ ARG A 43 84.062 11.507 6.627 1.00 0.00 C ATOM 619 NH1 ARG A 43 83.207 12.291 7.228 1.00 0.00 N ATOM 620 NH2 ARG A 43 85.265 11.938 6.362 1.00 0.00 N ATOM 0 H ARG A 43 80.545 6.670 3.387 1.00 0.00 H new ATOM 0 HA ARG A 43 82.235 5.886 5.480 1.00 0.00 H new ATOM 0 HB2 ARG A 43 81.552 8.245 4.446 1.00 0.00 H new ATOM 0 HB3 ARG A 43 80.321 8.223 5.692 1.00 0.00 H new ATOM 0 HG2 ARG A 43 82.105 7.796 7.425 1.00 0.00 H new ATOM 0 HG3 ARG A 43 83.325 7.869 6.170 1.00 0.00 H new ATOM 0 HD2 ARG A 43 81.653 10.202 5.875 1.00 0.00 H new ATOM 0 HD3 ARG A 43 82.063 10.068 7.574 1.00 0.00 H new ATOM 0 HE ARG A 43 84.384 9.667 5.823 1.00 0.00 H new ATOM 0 HH11 ARG A 43 82.267 11.955 7.438 1.00 0.00 H new ATOM 0 HH12 ARG A 43 83.479 13.239 7.487 1.00 0.00 H new ATOM 0 HH21 ARG A 43 85.934 11.326 5.895 1.00 0.00 H new ATOM 0 HH22 ARG A 43 85.536 12.886 6.622 1.00 0.00 H new ATOM 634 N GLY A 44 79.019 5.729 6.122 1.00 0.00 N ATOM 635 CA GLY A 44 78.036 5.232 7.078 1.00 0.00 C ATOM 636 C GLY A 44 78.360 3.803 7.495 1.00 0.00 C ATOM 637 O GLY A 44 78.412 3.488 8.684 1.00 0.00 O ATOM 0 H GLY A 44 78.628 6.041 5.233 1.00 0.00 H new ATOM 0 HA2 GLY A 44 78.019 5.877 7.957 1.00 0.00 H new ATOM 0 HA3 GLY A 44 77.041 5.269 6.635 1.00 0.00 H new ATOM 641 N GLN A 45 78.583 2.941 6.509 1.00 0.00 N ATOM 642 CA GLN A 45 78.908 1.546 6.786 1.00 0.00 C ATOM 643 C GLN A 45 80.209 1.451 7.578 1.00 0.00 C ATOM 644 O GLN A 45 80.308 0.683 8.533 1.00 0.00 O ATOM 645 CB GLN A 45 79.040 0.771 5.472 1.00 0.00 C ATOM 646 CG GLN A 45 77.935 1.215 4.508 1.00 0.00 C ATOM 647 CD GLN A 45 77.594 0.089 3.534 1.00 0.00 C ATOM 648 OE1 GLN A 45 77.922 -1.071 3.783 1.00 0.00 O ATOM 649 NE2 GLN A 45 76.947 0.364 2.435 1.00 0.00 N ATOM 0 H GLN A 45 78.545 3.181 5.518 1.00 0.00 H new ATOM 0 HA GLN A 45 78.104 1.111 7.380 1.00 0.00 H new ATOM 0 HB2 GLN A 45 80.019 0.950 5.028 1.00 0.00 H new ATOM 0 HB3 GLN A 45 78.966 -0.300 5.659 1.00 0.00 H new ATOM 0 HG2 GLN A 45 77.046 1.500 5.070 1.00 0.00 H new ATOM 0 HG3 GLN A 45 78.259 2.097 3.955 1.00 0.00 H new ATOM 0 HE21 GLN A 45 76.676 1.326 2.230 1.00 0.00 H new ATOM 0 HE22 GLN A 45 76.712 -0.383 1.781 1.00 0.00 H new ATOM 658 N ILE A 46 81.203 2.239 7.178 1.00 0.00 N ATOM 659 CA ILE A 46 82.493 2.235 7.862 1.00 0.00 C ATOM 660 C ILE A 46 82.340 2.715 9.299 1.00 0.00 C ATOM 661 O ILE A 46 82.978 2.183 10.208 1.00 0.00 O ATOM 662 CB ILE A 46 83.483 3.134 7.120 1.00 0.00 C ATOM 663 CG1 ILE A 46 83.663 2.619 5.689 1.00 0.00 C ATOM 664 CG2 ILE A 46 84.832 3.115 7.841 1.00 0.00 C ATOM 665 CD1 ILE A 46 84.117 3.768 4.786 1.00 0.00 C ATOM 0 H ILE A 46 81.142 2.884 6.390 1.00 0.00 H new ATOM 0 HA ILE A 46 82.873 1.213 7.873 1.00 0.00 H new ATOM 0 HB ILE A 46 83.100 4.154 7.096 1.00 0.00 H new ATOM 0 HG12 ILE A 46 84.399 1.815 5.670 1.00 0.00 H new ATOM 0 HG13 ILE A 46 82.726 2.202 5.321 1.00 0.00 H new ATOM 0 HG21 ILE A 46 85.537 3.756 7.311 1.00 0.00 H new ATOM 0 HG22 ILE A 46 84.705 3.480 8.860 1.00 0.00 H new ATOM 0 HG23 ILE A 46 85.217 2.096 7.866 1.00 0.00 H new ATOM 0 HD11 ILE A 46 84.245 3.401 3.767 1.00 0.00 H new ATOM 0 HD12 ILE A 46 83.365 4.557 4.796 1.00 0.00 H new ATOM 0 HD13 ILE A 46 85.064 4.165 5.151 1.00 0.00 H new ATOM 677 N ASN A 47 81.488 3.711 9.508 1.00 0.00 N ATOM 678 CA ASN A 47 81.271 4.225 10.852 1.00 0.00 C ATOM 679 C ASN A 47 80.911 3.074 11.778 1.00 0.00 C ATOM 680 O ASN A 47 81.499 2.911 12.847 1.00 0.00 O ATOM 681 CB ASN A 47 80.145 5.260 10.849 1.00 0.00 C ATOM 682 CG ASN A 47 80.699 6.634 10.491 1.00 0.00 C ATOM 683 OD1 ASN A 47 81.814 6.978 10.883 1.00 0.00 O ATOM 684 ND2 ASN A 47 79.982 7.448 9.764 1.00 0.00 N ATOM 0 H ASN A 47 80.945 4.171 8.778 1.00 0.00 H new ATOM 0 HA ASN A 47 82.184 4.706 11.203 1.00 0.00 H new ATOM 0 HB2 ASN A 47 79.376 4.971 10.132 1.00 0.00 H new ATOM 0 HB3 ASN A 47 79.670 5.295 11.829 1.00 0.00 H new ATOM 0 HD21 ASN A 47 80.346 8.369 9.521 1.00 0.00 H new ATOM 0 HD22 ASN A 47 79.058 7.162 9.439 1.00 0.00 H new ATOM 691 N ASP A 48 79.952 2.265 11.348 1.00 0.00 N ATOM 692 CA ASP A 48 79.530 1.116 12.130 1.00 0.00 C ATOM 693 C ASP A 48 80.599 0.031 12.077 1.00 0.00 C ATOM 694 O ASP A 48 80.985 -0.527 13.102 1.00 0.00 O ATOM 695 CB ASP A 48 78.208 0.576 11.589 1.00 0.00 C ATOM 696 CG ASP A 48 78.189 -0.948 11.664 1.00 0.00 C ATOM 697 OD1 ASP A 48 78.962 -1.567 10.953 1.00 0.00 O ATOM 698 OD2 ASP A 48 77.398 -1.471 12.430 1.00 0.00 O ATOM 0 H ASP A 48 79.455 2.384 10.465 1.00 0.00 H new ATOM 0 HA ASP A 48 79.389 1.423 13.166 1.00 0.00 H new ATOM 0 HB2 ASP A 48 77.377 0.986 12.164 1.00 0.00 H new ATOM 0 HB3 ASP A 48 78.071 0.898 10.557 1.00 0.00 H new ATOM 703 N TYR A 49 81.083 -0.261 10.874 1.00 0.00 N ATOM 704 CA TYR A 49 82.112 -1.279 10.718 1.00 0.00 C ATOM 705 C TYR A 49 83.235 -1.030 11.714 1.00 0.00 C ATOM 706 O TYR A 49 83.579 -1.902 12.510 1.00 0.00 O ATOM 707 CB TYR A 49 82.678 -1.238 9.294 1.00 0.00 C ATOM 708 CG TYR A 49 83.227 -2.594 8.915 1.00 0.00 C ATOM 709 CD1 TYR A 49 84.318 -3.132 9.610 1.00 0.00 C ATOM 710 CD2 TYR A 49 82.648 -3.312 7.862 1.00 0.00 C ATOM 711 CE1 TYR A 49 84.827 -4.387 9.252 1.00 0.00 C ATOM 712 CE2 TYR A 49 83.157 -4.566 7.504 1.00 0.00 C ATOM 713 CZ TYR A 49 84.246 -5.104 8.199 1.00 0.00 C ATOM 714 OH TYR A 49 84.748 -6.340 7.846 1.00 0.00 O ATOM 0 H TYR A 49 80.784 0.185 10.007 1.00 0.00 H new ATOM 0 HA TYR A 49 81.671 -2.259 10.902 1.00 0.00 H new ATOM 0 HB2 TYR A 49 81.898 -0.944 8.592 1.00 0.00 H new ATOM 0 HB3 TYR A 49 83.465 -0.487 9.229 1.00 0.00 H new ATOM 0 HD1 TYR A 49 84.767 -2.579 10.422 1.00 0.00 H new ATOM 0 HD2 TYR A 49 81.807 -2.898 7.325 1.00 0.00 H new ATOM 0 HE1 TYR A 49 85.668 -4.802 9.788 1.00 0.00 H new ATOM 0 HE2 TYR A 49 82.709 -5.118 6.691 1.00 0.00 H new ATOM 0 HH TYR A 49 84.230 -6.702 7.097 1.00 0.00 H new ATOM 724 N ILE A 50 83.797 0.171 11.663 1.00 0.00 N ATOM 725 CA ILE A 50 84.876 0.538 12.568 1.00 0.00 C ATOM 726 C ILE A 50 84.347 0.834 13.971 1.00 0.00 C ATOM 727 O ILE A 50 85.077 0.701 14.953 1.00 0.00 O ATOM 728 CB ILE A 50 85.619 1.762 12.014 1.00 0.00 C ATOM 729 CG1 ILE A 50 86.855 1.296 11.239 1.00 0.00 C ATOM 730 CG2 ILE A 50 86.062 2.678 13.160 1.00 0.00 C ATOM 731 CD1 ILE A 50 86.433 0.328 10.133 1.00 0.00 C ATOM 0 H ILE A 50 83.525 0.904 11.008 1.00 0.00 H new ATOM 0 HA ILE A 50 85.564 -0.304 12.642 1.00 0.00 H new ATOM 0 HB ILE A 50 84.949 2.313 11.354 1.00 0.00 H new ATOM 0 HG12 ILE A 50 87.371 2.154 10.808 1.00 0.00 H new ATOM 0 HG13 ILE A 50 87.558 0.808 11.915 1.00 0.00 H new ATOM 0 HG21 ILE A 50 86.588 3.542 12.753 1.00 0.00 H new ATOM 0 HG22 ILE A 50 85.187 3.014 13.716 1.00 0.00 H new ATOM 0 HG23 ILE A 50 86.727 2.130 13.827 1.00 0.00 H new ATOM 0 HD11 ILE A 50 87.314 -0.002 9.583 1.00 0.00 H new ATOM 0 HD12 ILE A 50 85.937 -0.536 10.575 1.00 0.00 H new ATOM 0 HD13 ILE A 50 85.747 0.831 9.451 1.00 0.00 H new ATOM 743 N SER A 51 83.088 1.269 14.061 1.00 0.00 N ATOM 744 CA SER A 51 82.515 1.616 15.365 1.00 0.00 C ATOM 745 C SER A 51 81.277 0.789 15.725 1.00 0.00 C ATOM 746 O SER A 51 80.323 1.323 16.287 1.00 0.00 O ATOM 747 CB SER A 51 82.144 3.099 15.378 1.00 0.00 C ATOM 748 OG SER A 51 82.407 3.637 16.667 1.00 0.00 O ATOM 0 H SER A 51 82.458 1.388 13.268 1.00 0.00 H new ATOM 0 HA SER A 51 83.277 1.393 16.111 1.00 0.00 H new ATOM 0 HB2 SER A 51 82.718 3.636 14.623 1.00 0.00 H new ATOM 0 HB3 SER A 51 81.091 3.225 15.127 1.00 0.00 H new ATOM 0 HG SER A 51 82.172 4.588 16.679 1.00 0.00 H new ATOM 754 N ARG A 52 81.305 -0.512 15.437 1.00 0.00 N ATOM 755 CA ARG A 52 80.176 -1.386 15.776 1.00 0.00 C ATOM 756 C ARG A 52 80.413 -2.804 15.270 1.00 0.00 C ATOM 757 O ARG A 52 80.211 -3.774 16.000 1.00 0.00 O ATOM 758 CB ARG A 52 78.862 -0.858 15.188 1.00 0.00 C ATOM 759 CG ARG A 52 77.771 -1.916 15.370 1.00 0.00 C ATOM 760 CD ARG A 52 76.443 -1.229 15.688 1.00 0.00 C ATOM 761 NE ARG A 52 76.372 -0.901 17.107 1.00 0.00 N ATOM 762 CZ ARG A 52 75.383 -0.157 17.591 1.00 0.00 C ATOM 763 NH1 ARG A 52 74.453 0.291 16.792 1.00 0.00 N ATOM 764 NH2 ARG A 52 75.342 0.125 18.864 1.00 0.00 N ATOM 0 H ARG A 52 82.084 -0.982 14.976 1.00 0.00 H new ATOM 0 HA ARG A 52 80.098 -1.397 16.863 1.00 0.00 H new ATOM 0 HB2 ARG A 52 78.574 0.069 15.684 1.00 0.00 H new ATOM 0 HB3 ARG A 52 78.989 -0.627 14.130 1.00 0.00 H new ATOM 0 HG2 ARG A 52 77.675 -2.515 14.464 1.00 0.00 H new ATOM 0 HG3 ARG A 52 78.042 -2.598 16.176 1.00 0.00 H new ATOM 0 HD2 ARG A 52 76.343 -0.322 15.092 1.00 0.00 H new ATOM 0 HD3 ARG A 52 75.613 -1.882 15.416 1.00 0.00 H new ATOM 0 HE ARG A 52 77.094 -1.248 17.739 1.00 0.00 H new ATOM 0 HH11 ARG A 52 74.486 0.070 15.797 1.00 0.00 H new ATOM 0 HH12 ARG A 52 73.694 0.862 17.163 1.00 0.00 H new ATOM 0 HH21 ARG A 52 76.069 -0.226 19.488 1.00 0.00 H new ATOM 0 HH22 ARG A 52 74.583 0.696 19.236 1.00 0.00 H new ATOM 778 N TYR A 53 80.837 -2.918 14.016 1.00 0.00 N ATOM 779 CA TYR A 53 81.091 -4.226 13.429 1.00 0.00 C ATOM 780 C TYR A 53 82.541 -4.323 12.960 1.00 0.00 C ATOM 781 O TYR A 53 82.830 -4.274 11.765 1.00 0.00 O ATOM 782 CB TYR A 53 80.132 -4.468 12.255 1.00 0.00 C ATOM 783 CG TYR A 53 80.688 -5.547 11.353 1.00 0.00 C ATOM 784 CD1 TYR A 53 81.184 -6.737 11.902 1.00 0.00 C ATOM 785 CD2 TYR A 53 80.711 -5.354 9.967 1.00 0.00 C ATOM 786 CE1 TYR A 53 81.702 -7.732 11.064 1.00 0.00 C ATOM 787 CE2 TYR A 53 81.229 -6.350 9.130 1.00 0.00 C ATOM 788 CZ TYR A 53 81.725 -7.539 9.679 1.00 0.00 C ATOM 789 OH TYR A 53 82.236 -8.519 8.853 1.00 0.00 O ATOM 0 H TYR A 53 81.010 -2.129 13.393 1.00 0.00 H new ATOM 0 HA TYR A 53 80.921 -4.992 14.186 1.00 0.00 H new ATOM 0 HB2 TYR A 53 79.152 -4.764 12.629 1.00 0.00 H new ATOM 0 HB3 TYR A 53 79.993 -3.546 11.691 1.00 0.00 H new ATOM 0 HD1 TYR A 53 81.167 -6.887 12.971 1.00 0.00 H new ATOM 0 HD2 TYR A 53 80.329 -4.437 9.543 1.00 0.00 H new ATOM 0 HE1 TYR A 53 82.084 -8.649 11.487 1.00 0.00 H new ATOM 0 HE2 TYR A 53 81.246 -6.201 8.060 1.00 0.00 H new ATOM 0 HH TYR A 53 81.600 -9.262 8.795 1.00 0.00 H new ATOM 799 N ARG A 54 83.449 -4.458 13.920 1.00 0.00 N ATOM 800 CA ARG A 54 84.872 -4.561 13.611 1.00 0.00 C ATOM 801 C ARG A 54 85.458 -5.835 14.212 1.00 0.00 C ATOM 802 O ARG A 54 86.291 -5.778 15.117 1.00 0.00 O ATOM 803 CB ARG A 54 85.622 -3.350 14.170 1.00 0.00 C ATOM 804 CG ARG A 54 84.992 -2.926 15.498 1.00 0.00 C ATOM 805 CD ARG A 54 86.092 -2.484 16.466 1.00 0.00 C ATOM 806 NE ARG A 54 87.021 -3.582 16.712 1.00 0.00 N ATOM 807 CZ ARG A 54 86.673 -4.623 17.461 1.00 0.00 C ATOM 808 NH1 ARG A 54 85.479 -4.681 17.986 1.00 0.00 N ATOM 809 NH2 ARG A 54 87.525 -5.588 17.671 1.00 0.00 N ATOM 0 H ARG A 54 83.227 -4.499 14.915 1.00 0.00 H new ATOM 0 HA ARG A 54 84.984 -4.591 12.527 1.00 0.00 H new ATOM 0 HB2 ARG A 54 86.674 -3.597 14.317 1.00 0.00 H new ATOM 0 HB3 ARG A 54 85.584 -2.525 13.458 1.00 0.00 H new ATOM 0 HG2 ARG A 54 84.287 -2.111 15.335 1.00 0.00 H new ATOM 0 HG3 ARG A 54 84.427 -3.754 15.926 1.00 0.00 H new ATOM 0 HD2 ARG A 54 86.629 -1.630 16.052 1.00 0.00 H new ATOM 0 HD3 ARG A 54 85.648 -2.156 17.406 1.00 0.00 H new ATOM 0 HE ARG A 54 87.954 -3.550 16.302 1.00 0.00 H new ATOM 0 HH11 ARG A 54 84.812 -3.927 17.821 1.00 0.00 H new ATOM 0 HH12 ARG A 54 85.213 -5.481 18.561 1.00 0.00 H new ATOM 0 HH21 ARG A 54 88.458 -5.543 17.260 1.00 0.00 H new ATOM 0 HH22 ARG A 54 87.259 -6.387 18.246 1.00 0.00 H new ATOM 823 N ARG A 55 85.020 -6.982 13.705 1.00 0.00 N ATOM 824 CA ARG A 55 85.512 -8.261 14.204 1.00 0.00 C ATOM 825 C ARG A 55 85.592 -9.284 13.077 1.00 0.00 C ATOM 826 O ARG A 55 86.616 -9.942 12.895 1.00 0.00 O ATOM 827 CB ARG A 55 84.588 -8.784 15.306 1.00 0.00 C ATOM 828 CG ARG A 55 84.902 -8.064 16.621 1.00 0.00 C ATOM 829 CD ARG A 55 84.097 -8.699 17.756 1.00 0.00 C ATOM 830 NE ARG A 55 84.340 -7.986 19.005 1.00 0.00 N ATOM 831 CZ ARG A 55 84.223 -8.598 20.180 1.00 0.00 C ATOM 832 NH1 ARG A 55 83.884 -9.857 20.229 1.00 0.00 N ATOM 833 NH2 ARG A 55 84.449 -7.939 21.284 1.00 0.00 N ATOM 0 H ARG A 55 84.332 -7.053 12.956 1.00 0.00 H new ATOM 0 HA ARG A 55 86.512 -8.108 14.611 1.00 0.00 H new ATOM 0 HB2 ARG A 55 83.546 -8.621 15.030 1.00 0.00 H new ATOM 0 HB3 ARG A 55 84.721 -9.859 15.427 1.00 0.00 H new ATOM 0 HG2 ARG A 55 85.968 -8.128 16.837 1.00 0.00 H new ATOM 0 HG3 ARG A 55 84.657 -7.005 16.536 1.00 0.00 H new ATOM 0 HD2 ARG A 55 83.034 -8.675 17.516 1.00 0.00 H new ATOM 0 HD3 ARG A 55 84.375 -9.747 17.867 1.00 0.00 H new ATOM 0 HE ARG A 55 84.604 -7.001 18.977 1.00 0.00 H new ATOM 0 HH11 ARG A 55 83.709 -10.372 19.366 1.00 0.00 H new ATOM 0 HH12 ARG A 55 83.794 -10.326 21.130 1.00 0.00 H new ATOM 0 HH21 ARG A 55 84.715 -6.955 21.245 1.00 0.00 H new ATOM 0 HH22 ARG A 55 84.359 -8.408 22.185 1.00 0.00 H new ATOM 847 N LYS A 56 84.507 -9.411 12.321 1.00 0.00 N ATOM 848 CA LYS A 56 84.469 -10.357 11.213 1.00 0.00 C ATOM 849 C LYS A 56 84.537 -11.790 11.730 1.00 0.00 C ATOM 850 O LYS A 56 84.840 -12.718 10.980 1.00 0.00 O ATOM 851 CB LYS A 56 85.642 -10.097 10.266 1.00 0.00 C ATOM 852 CG LYS A 56 85.249 -10.496 8.842 1.00 0.00 C ATOM 853 CD LYS A 56 86.500 -10.551 7.965 1.00 0.00 C ATOM 854 CE LYS A 56 87.131 -11.942 8.059 1.00 0.00 C ATOM 855 NZ LYS A 56 86.626 -12.791 6.944 1.00 0.00 N ATOM 0 H LYS A 56 83.649 -8.876 12.454 1.00 0.00 H new ATOM 0 HA LYS A 56 83.531 -10.222 10.675 1.00 0.00 H new ATOM 0 HB2 LYS A 56 85.920 -9.044 10.296 1.00 0.00 H new ATOM 0 HB3 LYS A 56 86.515 -10.666 10.586 1.00 0.00 H new ATOM 0 HG2 LYS A 56 84.753 -11.467 8.849 1.00 0.00 H new ATOM 0 HG3 LYS A 56 84.538 -9.778 8.435 1.00 0.00 H new ATOM 0 HD2 LYS A 56 86.241 -10.327 6.930 1.00 0.00 H new ATOM 0 HD3 LYS A 56 87.215 -9.794 8.286 1.00 0.00 H new ATOM 0 HE2 LYS A 56 88.217 -11.865 8.009 1.00 0.00 H new ATOM 0 HE3 LYS A 56 86.888 -12.400 9.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 86.305 -13.705 7.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 85.831 -12.312 6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 87.389 -12.950 6.255 1.00 0.00 H new ATOM 869 N GLY A 57 84.253 -11.963 13.017 1.00 0.00 N ATOM 870 CA GLY A 57 84.284 -13.288 13.625 1.00 0.00 C ATOM 871 C GLY A 57 85.704 -13.841 13.653 1.00 0.00 C ATOM 872 O GLY A 57 85.959 -14.892 14.240 1.00 0.00 O ATOM 0 H GLY A 57 84.001 -11.208 13.655 1.00 0.00 H new ATOM 0 HA2 GLY A 57 83.890 -13.236 14.640 1.00 0.00 H new ATOM 0 HA3 GLY A 57 83.637 -13.964 13.066 1.00 0.00 H new ATOM 876 N ASP A 58 86.626 -13.127 13.015 1.00 0.00 N ATOM 877 CA ASP A 58 88.018 -13.558 12.974 1.00 0.00 C ATOM 878 C ASP A 58 88.125 -14.964 12.392 1.00 0.00 C ATOM 879 O ASP A 58 88.196 -15.948 13.129 1.00 0.00 O ATOM 880 CB ASP A 58 88.612 -13.541 14.384 1.00 0.00 C ATOM 881 CG ASP A 58 90.136 -13.555 14.309 1.00 0.00 C ATOM 882 OD1 ASP A 58 90.659 -13.319 13.232 1.00 0.00 O ATOM 883 OD2 ASP A 58 90.756 -13.804 15.329 1.00 0.00 O ATOM 0 H ASP A 58 86.436 -12.254 12.523 1.00 0.00 H new ATOM 0 HA ASP A 58 88.574 -12.869 12.338 1.00 0.00 H new ATOM 0 HB2 ASP A 58 88.274 -12.653 14.919 1.00 0.00 H new ATOM 0 HB3 ASP A 58 88.259 -14.406 14.946 1.00 0.00 H new ATOM 912 N LEU A 62 91.957 -12.209 6.008 1.00 0.00 N ATOM 913 CA LEU A 62 92.610 -12.260 4.705 1.00 0.00 C ATOM 914 C LEU A 62 92.932 -10.852 4.214 1.00 0.00 C ATOM 915 O LEU A 62 92.310 -9.878 4.640 1.00 0.00 O ATOM 916 CB LEU A 62 91.702 -12.962 3.693 1.00 0.00 C ATOM 917 CG LEU A 62 90.359 -13.284 4.348 1.00 0.00 C ATOM 918 CD1 LEU A 62 89.391 -13.821 3.294 1.00 0.00 C ATOM 919 CD2 LEU A 62 90.565 -14.342 5.436 1.00 0.00 C ATOM 0 HA LEU A 62 93.540 -12.819 4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 62 91.550 -12.325 2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 62 92.175 -13.878 3.339 1.00 0.00 H new ATOM 0 HG LEU A 62 89.945 -12.379 4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 62 88.434 -14.050 3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 62 89.245 -13.070 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 62 89.803 -14.727 2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 62 89.608 -14.573 5.905 1.00 0.00 H new ATOM 0 HD22 LEU A 62 90.979 -15.247 4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 62 91.255 -13.960 6.189 1.00 0.00 H new ATOM 931 N LYS A 63 93.907 -10.750 3.316 1.00 0.00 N ATOM 932 CA LYS A 63 94.303 -9.455 2.777 1.00 0.00 C ATOM 933 C LYS A 63 93.074 -8.629 2.406 1.00 0.00 C ATOM 934 O LYS A 63 93.149 -7.405 2.295 1.00 0.00 O ATOM 935 CB LYS A 63 95.181 -9.647 1.538 1.00 0.00 C ATOM 936 CG LYS A 63 96.175 -10.783 1.786 1.00 0.00 C ATOM 937 CD LYS A 63 97.207 -10.810 0.657 1.00 0.00 C ATOM 938 CE LYS A 63 98.325 -11.793 1.007 1.00 0.00 C ATOM 939 NZ LYS A 63 99.628 -11.072 1.039 1.00 0.00 N ATOM 0 H LYS A 63 94.434 -11.543 2.949 1.00 0.00 H new ATOM 0 HA LYS A 63 94.868 -8.924 3.543 1.00 0.00 H new ATOM 0 HB2 LYS A 63 94.560 -9.876 0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 63 95.716 -8.725 1.312 1.00 0.00 H new ATOM 0 HG2 LYS A 63 96.673 -10.643 2.745 1.00 0.00 H new ATOM 0 HG3 LYS A 63 95.649 -11.737 1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 63 96.730 -11.104 -0.278 1.00 0.00 H new ATOM 0 HD3 LYS A 63 97.620 -9.813 0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 63 98.129 -12.254 1.975 1.00 0.00 H new ATOM 0 HE3 LYS A 63 98.360 -12.597 0.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 100.389 -11.740 1.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 99.815 -10.652 0.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 99.591 -10.320 1.756 1.00 0.00 H new ATOM 953 N SER A 64 91.947 -9.305 2.213 1.00 0.00 N ATOM 954 CA SER A 64 90.710 -8.621 1.853 1.00 0.00 C ATOM 955 C SER A 64 90.274 -7.675 2.968 1.00 0.00 C ATOM 956 O SER A 64 90.031 -6.492 2.731 1.00 0.00 O ATOM 957 CB SER A 64 89.604 -9.645 1.591 1.00 0.00 C ATOM 958 OG SER A 64 88.656 -9.593 2.649 1.00 0.00 O ATOM 0 H SER A 64 91.864 -10.318 2.299 1.00 0.00 H new ATOM 0 HA SER A 64 90.890 -8.040 0.949 1.00 0.00 H new ATOM 0 HB2 SER A 64 89.116 -9.435 0.639 1.00 0.00 H new ATOM 0 HB3 SER A 64 90.029 -10.646 1.517 1.00 0.00 H new ATOM 0 HG SER A 64 87.945 -10.247 2.483 1.00 0.00 H new ATOM 964 N PHE A 65 90.176 -8.205 4.181 1.00 0.00 N ATOM 965 CA PHE A 65 89.765 -7.399 5.326 1.00 0.00 C ATOM 966 C PHE A 65 90.768 -6.280 5.586 1.00 0.00 C ATOM 967 O PHE A 65 90.386 -5.154 5.902 1.00 0.00 O ATOM 968 CB PHE A 65 89.650 -8.283 6.569 1.00 0.00 C ATOM 969 CG PHE A 65 89.761 -7.426 7.808 1.00 0.00 C ATOM 970 CD1 PHE A 65 91.022 -7.050 8.286 1.00 0.00 C ATOM 971 CD2 PHE A 65 88.605 -7.008 8.477 1.00 0.00 C ATOM 972 CE1 PHE A 65 91.125 -6.255 9.435 1.00 0.00 C ATOM 973 CE2 PHE A 65 88.708 -6.214 9.624 1.00 0.00 C ATOM 974 CZ PHE A 65 89.970 -5.837 10.103 1.00 0.00 C ATOM 0 H PHE A 65 90.374 -9.182 4.398 1.00 0.00 H new ATOM 0 HA PHE A 65 88.795 -6.954 5.103 1.00 0.00 H new ATOM 0 HB2 PHE A 65 88.698 -8.813 6.565 1.00 0.00 H new ATOM 0 HB3 PHE A 65 90.435 -9.039 6.565 1.00 0.00 H new ATOM 0 HD1 PHE A 65 91.914 -7.372 7.770 1.00 0.00 H new ATOM 0 HD2 PHE A 65 87.633 -7.299 8.107 1.00 0.00 H new ATOM 0 HE1 PHE A 65 92.097 -5.965 9.805 1.00 0.00 H new ATOM 0 HE2 PHE A 65 87.816 -5.892 10.140 1.00 0.00 H new ATOM 0 HZ PHE A 65 90.050 -5.224 10.988 1.00 0.00 H new ATOM 984 N THR A 66 92.052 -6.596 5.454 1.00 0.00 N ATOM 985 CA THR A 66 93.096 -5.603 5.680 1.00 0.00 C ATOM 986 C THR A 66 92.934 -4.428 4.724 1.00 0.00 C ATOM 987 O THR A 66 93.254 -3.290 5.065 1.00 0.00 O ATOM 988 CB THR A 66 94.476 -6.236 5.484 1.00 0.00 C ATOM 989 OG1 THR A 66 94.454 -7.573 5.963 1.00 0.00 O ATOM 990 CG2 THR A 66 95.522 -5.432 6.257 1.00 0.00 C ATOM 0 H THR A 66 92.392 -7.522 5.194 1.00 0.00 H new ATOM 0 HA THR A 66 93.007 -5.240 6.704 1.00 0.00 H new ATOM 0 HB THR A 66 94.730 -6.234 4.424 1.00 0.00 H new ATOM 0 HG1 THR A 66 95.336 -7.980 5.837 1.00 0.00 H new ATOM 0 HG21 THR A 66 96.504 -5.883 6.117 1.00 0.00 H new ATOM 0 HG22 THR A 66 95.538 -4.406 5.888 1.00 0.00 H new ATOM 0 HG23 THR A 66 95.270 -5.432 7.318 1.00 0.00 H new ATOM 998 N THR A 67 92.430 -4.711 3.527 1.00 0.00 N ATOM 999 CA THR A 67 92.225 -3.671 2.532 1.00 0.00 C ATOM 1000 C THR A 67 91.143 -2.703 2.992 1.00 0.00 C ATOM 1001 O THR A 67 91.243 -1.498 2.772 1.00 0.00 O ATOM 1002 CB THR A 67 91.811 -4.299 1.204 1.00 0.00 C ATOM 1003 OG1 THR A 67 91.830 -5.715 1.326 1.00 0.00 O ATOM 1004 CG2 THR A 67 92.781 -3.864 0.104 1.00 0.00 C ATOM 0 H THR A 67 92.158 -5.647 3.226 1.00 0.00 H new ATOM 0 HA THR A 67 93.159 -3.125 2.403 1.00 0.00 H new ATOM 0 HB THR A 67 90.805 -3.970 0.945 1.00 0.00 H new ATOM 0 HG1 THR A 67 92.755 -6.023 1.422 1.00 0.00 H new ATOM 0 HG21 THR A 67 92.483 -4.314 -0.843 1.00 0.00 H new ATOM 0 HG22 THR A 67 92.763 -2.778 0.011 1.00 0.00 H new ATOM 0 HG23 THR A 67 93.790 -4.190 0.359 1.00 0.00 H new ATOM 1012 N MET A 68 90.107 -3.235 3.629 1.00 0.00 N ATOM 1013 CA MET A 68 89.015 -2.398 4.108 1.00 0.00 C ATOM 1014 C MET A 68 89.568 -1.227 4.912 1.00 0.00 C ATOM 1015 O MET A 68 89.127 -0.088 4.752 1.00 0.00 O ATOM 1016 CB MET A 68 88.068 -3.221 4.984 1.00 0.00 C ATOM 1017 CG MET A 68 87.438 -4.337 4.148 1.00 0.00 C ATOM 1018 SD MET A 68 85.973 -3.700 3.296 1.00 0.00 S ATOM 1019 CE MET A 68 84.794 -3.959 4.645 1.00 0.00 C ATOM 0 H MET A 68 90.000 -4.230 3.824 1.00 0.00 H new ATOM 0 HA MET A 68 88.465 -2.014 3.249 1.00 0.00 H new ATOM 0 HB2 MET A 68 88.613 -3.647 5.826 1.00 0.00 H new ATOM 0 HB3 MET A 68 87.290 -2.580 5.399 1.00 0.00 H new ATOM 0 HG2 MET A 68 88.159 -4.713 3.422 1.00 0.00 H new ATOM 0 HG3 MET A 68 87.164 -5.175 4.789 1.00 0.00 H new ATOM 0 HE1 MET A 68 83.804 -3.628 4.331 1.00 0.00 H new ATOM 0 HE2 MET A 68 84.759 -5.018 4.899 1.00 0.00 H new ATOM 0 HE3 MET A 68 85.108 -3.387 5.518 1.00 0.00 H new ATOM 1029 N GLN A 69 90.542 -1.511 5.769 1.00 0.00 N ATOM 1030 CA GLN A 69 91.156 -0.468 6.584 1.00 0.00 C ATOM 1031 C GLN A 69 92.176 0.318 5.768 1.00 0.00 C ATOM 1032 O GLN A 69 92.415 1.497 6.027 1.00 0.00 O ATOM 1033 CB GLN A 69 91.840 -1.090 7.804 1.00 0.00 C ATOM 1034 CG GLN A 69 91.009 -0.804 9.056 1.00 0.00 C ATOM 1035 CD GLN A 69 91.464 -1.702 10.201 1.00 0.00 C ATOM 1036 OE1 GLN A 69 90.638 -2.213 10.955 1.00 0.00 O ATOM 1037 NE2 GLN A 69 92.738 -1.926 10.376 1.00 0.00 N ATOM 0 H GLN A 69 90.921 -2.446 5.917 1.00 0.00 H new ATOM 0 HA GLN A 69 90.374 0.214 6.918 1.00 0.00 H new ATOM 0 HB2 GLN A 69 91.948 -2.166 7.664 1.00 0.00 H new ATOM 0 HB3 GLN A 69 92.844 -0.681 7.919 1.00 0.00 H new ATOM 0 HG2 GLN A 69 91.114 0.243 9.341 1.00 0.00 H new ATOM 0 HG3 GLN A 69 89.953 -0.974 8.848 1.00 0.00 H new ATOM 0 HE21 GLN A 69 93.421 -1.501 9.749 1.00 0.00 H new ATOM 0 HE22 GLN A 69 93.050 -2.526 11.139 1.00 0.00 H new ATOM 1046 N THR A 70 92.772 -0.340 4.779 1.00 0.00 N ATOM 1047 CA THR A 70 93.761 0.315 3.932 1.00 0.00 C ATOM 1048 C THR A 70 93.083 1.325 3.012 1.00 0.00 C ATOM 1049 O THR A 70 93.510 2.477 2.919 1.00 0.00 O ATOM 1050 CB THR A 70 94.506 -0.729 3.098 1.00 0.00 C ATOM 1051 OG1 THR A 70 94.661 -1.918 3.859 1.00 0.00 O ATOM 1052 CG2 THR A 70 95.882 -0.188 2.710 1.00 0.00 C ATOM 0 H THR A 70 92.590 -1.316 4.546 1.00 0.00 H new ATOM 0 HA THR A 70 94.474 0.841 4.567 1.00 0.00 H new ATOM 0 HB THR A 70 93.936 -0.946 2.195 1.00 0.00 H new ATOM 0 HG1 THR A 70 93.779 -2.286 4.074 1.00 0.00 H new ATOM 0 HG21 THR A 70 96.412 -0.933 2.116 1.00 0.00 H new ATOM 0 HG22 THR A 70 95.763 0.724 2.126 1.00 0.00 H new ATOM 0 HG23 THR A 70 96.454 0.031 3.611 1.00 0.00 H new ATOM 1060 N ALA A 71 92.019 0.891 2.343 1.00 0.00 N ATOM 1061 CA ALA A 71 91.284 1.772 1.442 1.00 0.00 C ATOM 1062 C ALA A 71 90.563 2.857 2.235 1.00 0.00 C ATOM 1063 O ALA A 71 90.417 3.985 1.772 1.00 0.00 O ATOM 1064 CB ALA A 71 90.263 0.971 0.634 1.00 0.00 C ATOM 0 H ALA A 71 91.649 -0.057 2.407 1.00 0.00 H new ATOM 0 HA ALA A 71 91.996 2.238 0.761 1.00 0.00 H new ATOM 0 HB1 ALA A 71 89.722 1.641 -0.034 1.00 0.00 H new ATOM 0 HB2 ALA A 71 90.779 0.211 0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 71 89.559 0.489 1.313 1.00 0.00 H new ATOM 1070 N LEU A 72 90.110 2.502 3.433 1.00 0.00 N ATOM 1071 CA LEU A 72 89.403 3.454 4.283 1.00 0.00 C ATOM 1072 C LEU A 72 90.247 4.708 4.484 1.00 0.00 C ATOM 1073 O LEU A 72 89.771 5.825 4.285 1.00 0.00 O ATOM 1074 CB LEU A 72 89.091 2.798 5.639 1.00 0.00 C ATOM 1075 CG LEU A 72 88.429 3.802 6.604 1.00 0.00 C ATOM 1076 CD1 LEU A 72 89.461 4.800 7.148 1.00 0.00 C ATOM 1077 CD2 LEU A 72 87.318 4.567 5.879 1.00 0.00 C ATOM 0 H LEU A 72 90.218 1.571 3.835 1.00 0.00 H new ATOM 0 HA LEU A 72 88.468 3.741 3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 72 88.431 1.944 5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 72 90.011 2.416 6.082 1.00 0.00 H new ATOM 0 HG LEU A 72 88.007 3.243 7.439 1.00 0.00 H new ATOM 0 HD11 LEU A 72 88.970 5.498 7.826 1.00 0.00 H new ATOM 0 HD12 LEU A 72 90.241 4.260 7.685 1.00 0.00 H new ATOM 0 HD13 LEU A 72 89.906 5.351 6.320 1.00 0.00 H new ATOM 0 HD21 LEU A 72 86.855 5.274 6.567 1.00 0.00 H new ATOM 0 HD22 LEU A 72 87.741 5.108 5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 72 86.566 3.864 5.521 1.00 0.00 H new ATOM 1089 N ASN A 73 91.497 4.514 4.888 1.00 0.00 N ATOM 1090 CA ASN A 73 92.397 5.639 5.124 1.00 0.00 C ATOM 1091 C ASN A 73 92.665 6.418 3.837 1.00 0.00 C ATOM 1092 O ASN A 73 92.631 7.648 3.830 1.00 0.00 O ATOM 1093 CB ASN A 73 93.721 5.135 5.701 1.00 0.00 C ATOM 1094 CG ASN A 73 94.814 6.177 5.489 1.00 0.00 C ATOM 1095 OD1 ASN A 73 94.500 7.445 5.483 1.00 0.00 O flip ATOM 1096 ND2 ASN A 73 95.982 5.829 5.324 1.00 0.00 N flip ATOM 0 H ASN A 73 91.909 3.597 5.058 1.00 0.00 H new ATOM 0 HA ASN A 73 91.915 6.309 5.836 1.00 0.00 H new ATOM 0 HB2 ASN A 73 93.607 4.927 6.765 1.00 0.00 H new ATOM 0 HB3 ASN A 73 94.003 4.198 5.221 1.00 0.00 H new ATOM 0 HD21 ASN A 73 96.225 4.838 5.329 1.00 0.00 H new ATOM 0 HD22 ASN A 73 96.708 6.531 5.182 1.00 0.00 H new ATOM 1103 N SER A 74 92.943 5.700 2.754 1.00 0.00 N ATOM 1104 CA SER A 74 93.226 6.345 1.474 1.00 0.00 C ATOM 1105 C SER A 74 91.969 6.981 0.888 1.00 0.00 C ATOM 1106 O SER A 74 91.951 8.175 0.586 1.00 0.00 O ATOM 1107 CB SER A 74 93.785 5.321 0.486 1.00 0.00 C ATOM 1108 OG SER A 74 95.055 5.761 0.022 1.00 0.00 O ATOM 0 H SER A 74 92.979 4.681 2.735 1.00 0.00 H new ATOM 0 HA SER A 74 93.962 7.129 1.648 1.00 0.00 H new ATOM 0 HB2 SER A 74 93.878 4.347 0.967 1.00 0.00 H new ATOM 0 HB3 SER A 74 93.101 5.198 -0.354 1.00 0.00 H new ATOM 0 HG SER A 74 95.763 5.291 0.511 1.00 0.00 H new ATOM 1114 N LEU A 75 90.924 6.179 0.723 1.00 0.00 N ATOM 1115 CA LEU A 75 89.675 6.682 0.165 1.00 0.00 C ATOM 1116 C LEU A 75 89.154 7.849 0.996 1.00 0.00 C ATOM 1117 O LEU A 75 88.363 8.660 0.517 1.00 0.00 O ATOM 1118 CB LEU A 75 88.631 5.556 0.100 1.00 0.00 C ATOM 1119 CG LEU A 75 87.940 5.386 1.462 1.00 0.00 C ATOM 1120 CD1 LEU A 75 86.837 6.439 1.649 1.00 0.00 C ATOM 1121 CD2 LEU A 75 87.316 3.990 1.535 1.00 0.00 C ATOM 0 H LEU A 75 90.916 5.188 0.965 1.00 0.00 H new ATOM 0 HA LEU A 75 89.863 7.039 -0.848 1.00 0.00 H new ATOM 0 HB2 LEU A 75 87.889 5.783 -0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 75 89.112 4.622 -0.190 1.00 0.00 H new ATOM 0 HG LEU A 75 88.683 5.513 2.250 1.00 0.00 H new ATOM 0 HD11 LEU A 75 86.362 6.299 2.620 1.00 0.00 H new ATOM 0 HD12 LEU A 75 87.274 7.436 1.599 1.00 0.00 H new ATOM 0 HD13 LEU A 75 86.092 6.329 0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 75 86.824 3.862 2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 75 86.584 3.876 0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 75 88.096 3.237 1.423 1.00 0.00 H new ATOM 1133 N ALA A 76 89.613 7.933 2.240 1.00 0.00 N ATOM 1134 CA ALA A 76 89.195 9.012 3.126 1.00 0.00 C ATOM 1135 C ALA A 76 89.752 10.346 2.640 1.00 0.00 C ATOM 1136 O ALA A 76 89.091 11.381 2.741 1.00 0.00 O ATOM 1137 CB ALA A 76 89.688 8.743 4.549 1.00 0.00 C ATOM 0 H ALA A 76 90.270 7.272 2.655 1.00 0.00 H new ATOM 0 HA ALA A 76 88.106 9.058 3.122 1.00 0.00 H new ATOM 0 HB1 ALA A 76 89.371 9.555 5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 76 89.269 7.803 4.908 1.00 0.00 H new ATOM 0 HB3 ALA A 76 90.776 8.679 4.551 1.00 0.00 H new ATOM 1143 N GLY A 77 90.970 10.313 2.108 1.00 0.00 N ATOM 1144 CA GLY A 77 91.610 11.524 1.606 1.00 0.00 C ATOM 1145 C GLY A 77 90.805 12.128 0.461 1.00 0.00 C ATOM 1146 O GLY A 77 90.532 13.330 0.449 1.00 0.00 O ATOM 0 H GLY A 77 91.531 9.466 2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 77 91.705 12.251 2.412 1.00 0.00 H new ATOM 0 HA3 GLY A 77 92.619 11.293 1.265 1.00 0.00 H new ATOM 1150 N TYR A 78 90.428 11.290 -0.499 1.00 0.00 N ATOM 1151 CA TYR A 78 89.654 11.758 -1.644 1.00 0.00 C ATOM 1152 C TYR A 78 88.412 12.513 -1.176 1.00 0.00 C ATOM 1153 O TYR A 78 88.106 13.594 -1.679 1.00 0.00 O ATOM 1154 CB TYR A 78 89.234 10.573 -2.516 1.00 0.00 C ATOM 1155 CG TYR A 78 87.997 10.938 -3.299 1.00 0.00 C ATOM 1156 CD1 TYR A 78 88.001 12.067 -4.125 1.00 0.00 C ATOM 1157 CD2 TYR A 78 86.846 10.146 -3.202 1.00 0.00 C ATOM 1158 CE1 TYR A 78 86.856 12.407 -4.854 1.00 0.00 C ATOM 1159 CE2 TYR A 78 85.700 10.485 -3.931 1.00 0.00 C ATOM 1160 CZ TYR A 78 85.705 11.616 -4.757 1.00 0.00 C ATOM 1161 OH TYR A 78 84.575 11.951 -5.474 1.00 0.00 O ATOM 0 H TYR A 78 90.643 10.293 -0.508 1.00 0.00 H new ATOM 0 HA TYR A 78 90.280 12.432 -2.229 1.00 0.00 H new ATOM 0 HB2 TYR A 78 90.042 10.304 -3.197 1.00 0.00 H new ATOM 0 HB3 TYR A 78 89.039 9.700 -1.893 1.00 0.00 H new ATOM 0 HD1 TYR A 78 88.889 12.677 -4.200 1.00 0.00 H new ATOM 0 HD2 TYR A 78 86.843 9.274 -2.565 1.00 0.00 H new ATOM 0 HE1 TYR A 78 86.860 13.279 -5.491 1.00 0.00 H new ATOM 0 HE2 TYR A 78 84.812 9.875 -3.856 1.00 0.00 H new ATOM 0 HH TYR A 78 84.836 12.407 -6.301 1.00 0.00 H new ATOM 1171 N TYR A 79 87.702 11.936 -0.213 1.00 0.00 N ATOM 1172 CA TYR A 79 86.496 12.564 0.314 1.00 0.00 C ATOM 1173 C TYR A 79 86.781 14.004 0.731 1.00 0.00 C ATOM 1174 O TYR A 79 85.893 14.855 0.714 1.00 0.00 O ATOM 1175 CB TYR A 79 85.977 11.776 1.518 1.00 0.00 C ATOM 1176 CG TYR A 79 84.856 12.545 2.175 1.00 0.00 C ATOM 1177 CD1 TYR A 79 83.618 12.666 1.532 1.00 0.00 C ATOM 1178 CD2 TYR A 79 85.055 13.140 3.427 1.00 0.00 C ATOM 1179 CE1 TYR A 79 82.580 13.381 2.140 1.00 0.00 C ATOM 1180 CE2 TYR A 79 84.016 13.855 4.036 1.00 0.00 C ATOM 1181 CZ TYR A 79 82.779 13.975 3.392 1.00 0.00 C ATOM 1182 OH TYR A 79 81.756 14.681 3.992 1.00 0.00 O ATOM 0 H TYR A 79 87.938 11.041 0.216 1.00 0.00 H new ATOM 0 HA TYR A 79 85.739 12.566 -0.470 1.00 0.00 H new ATOM 0 HB2 TYR A 79 85.623 10.796 1.200 1.00 0.00 H new ATOM 0 HB3 TYR A 79 86.784 11.607 2.231 1.00 0.00 H new ATOM 0 HD1 TYR A 79 83.464 12.207 0.566 1.00 0.00 H new ATOM 0 HD2 TYR A 79 86.010 13.048 3.923 1.00 0.00 H new ATOM 0 HE1 TYR A 79 81.625 13.475 1.643 1.00 0.00 H new ATOM 0 HE2 TYR A 79 84.169 14.313 5.002 1.00 0.00 H new ATOM 0 HH TYR A 79 82.061 15.027 4.857 1.00 0.00 H new ATOM 1192 N THR A 80 88.029 14.269 1.103 1.00 0.00 N ATOM 1193 CA THR A 80 88.425 15.608 1.522 1.00 0.00 C ATOM 1194 C THR A 80 89.166 16.322 0.396 1.00 0.00 C ATOM 1195 O THR A 80 89.170 15.864 -0.747 1.00 0.00 O ATOM 1196 CB THR A 80 89.325 15.522 2.756 1.00 0.00 C ATOM 1197 OG1 THR A 80 89.563 14.157 3.071 1.00 0.00 O ATOM 1198 CG2 THR A 80 88.643 16.210 3.939 1.00 0.00 C ATOM 0 H THR A 80 88.779 13.579 1.123 1.00 0.00 H new ATOM 0 HA THR A 80 87.527 16.175 1.767 1.00 0.00 H new ATOM 0 HB THR A 80 90.273 16.019 2.550 1.00 0.00 H new ATOM 0 HG1 THR A 80 90.141 14.099 3.860 1.00 0.00 H new ATOM 0 HG21 THR A 80 89.286 16.147 4.817 1.00 0.00 H new ATOM 0 HG22 THR A 80 88.462 17.257 3.696 1.00 0.00 H new ATOM 0 HG23 THR A 80 87.694 15.717 4.149 1.00 0.00 H new ATOM 1206 N SER A 81 89.795 17.446 0.726 1.00 0.00 N ATOM 1207 CA SER A 81 90.539 18.214 -0.266 1.00 0.00 C ATOM 1208 C SER A 81 89.600 18.785 -1.324 1.00 0.00 C ATOM 1209 O SER A 81 88.494 19.228 -1.012 1.00 0.00 O ATOM 1210 CB SER A 81 91.584 17.324 -0.938 1.00 0.00 C ATOM 1211 OG SER A 81 92.160 16.464 0.036 1.00 0.00 O ATOM 0 H SER A 81 89.805 17.843 1.666 1.00 0.00 H new ATOM 0 HA SER A 81 91.036 19.040 0.243 1.00 0.00 H new ATOM 0 HB2 SER A 81 91.123 16.737 -1.732 1.00 0.00 H new ATOM 0 HB3 SER A 81 92.357 17.937 -1.402 1.00 0.00 H new ATOM 0 HG SER A 81 92.830 15.890 -0.390 1.00 0.00 H new ATOM 1217 N TYR A 82 90.049 18.773 -2.574 1.00 0.00 N ATOM 1218 CA TYR A 82 89.242 19.293 -3.672 1.00 0.00 C ATOM 1219 C TYR A 82 88.038 18.393 -3.924 1.00 0.00 C ATOM 1220 O TYR A 82 86.902 18.863 -3.997 1.00 0.00 O ATOM 1221 CB TYR A 82 90.087 19.387 -4.944 1.00 0.00 C ATOM 1222 CG TYR A 82 91.256 20.315 -4.709 1.00 0.00 C ATOM 1223 CD1 TYR A 82 92.429 19.828 -4.122 1.00 0.00 C ATOM 1224 CD2 TYR A 82 91.166 21.663 -5.080 1.00 0.00 C ATOM 1225 CE1 TYR A 82 93.513 20.687 -3.906 1.00 0.00 C ATOM 1226 CE2 TYR A 82 92.249 22.523 -4.863 1.00 0.00 C ATOM 1227 CZ TYR A 82 93.423 22.034 -4.276 1.00 0.00 C ATOM 1228 OH TYR A 82 94.493 22.881 -4.064 1.00 0.00 O ATOM 0 H TYR A 82 90.961 18.411 -2.852 1.00 0.00 H new ATOM 0 HA TYR A 82 88.888 20.287 -3.398 1.00 0.00 H new ATOM 0 HB2 TYR A 82 90.446 18.398 -5.228 1.00 0.00 H new ATOM 0 HB3 TYR A 82 89.479 19.754 -5.770 1.00 0.00 H new ATOM 0 HD1 TYR A 82 92.498 18.789 -3.835 1.00 0.00 H new ATOM 0 HD2 TYR A 82 90.261 22.039 -5.534 1.00 0.00 H new ATOM 0 HE1 TYR A 82 94.419 20.310 -3.454 1.00 0.00 H new ATOM 0 HE2 TYR A 82 92.179 23.562 -5.148 1.00 0.00 H new ATOM 0 HH TYR A 82 94.265 23.781 -4.379 1.00 0.00 H new ATOM 1238 N GLY A 83 88.293 17.095 -4.058 1.00 0.00 N ATOM 1239 CA GLY A 83 87.221 16.138 -4.302 1.00 0.00 C ATOM 1240 C GLY A 83 87.020 15.916 -5.796 1.00 0.00 C ATOM 1241 O GLY A 83 86.016 15.343 -6.218 1.00 0.00 O ATOM 0 H GLY A 83 89.225 16.685 -4.002 1.00 0.00 H new ATOM 0 HA2 GLY A 83 87.457 15.190 -3.818 1.00 0.00 H new ATOM 0 HA3 GLY A 83 86.295 16.502 -3.856 1.00 0.00 H new ATOM 1245 N ALA A 84 87.981 16.372 -6.593 1.00 0.00 N ATOM 1246 CA ALA A 84 87.896 16.216 -8.041 1.00 0.00 C ATOM 1247 C ALA A 84 89.262 16.421 -8.684 1.00 0.00 C ATOM 1248 O ALA A 84 89.509 17.439 -9.331 1.00 0.00 O ATOM 1249 CB ALA A 84 86.902 17.225 -8.618 1.00 0.00 C ATOM 0 H ALA A 84 88.821 16.849 -6.265 1.00 0.00 H new ATOM 0 HA ALA A 84 87.554 15.204 -8.258 1.00 0.00 H new ATOM 0 HB1 ALA A 84 86.845 17.102 -9.699 1.00 0.00 H new ATOM 0 HB2 ALA A 84 85.918 17.057 -8.181 1.00 0.00 H new ATOM 0 HB3 ALA A 84 87.234 18.237 -8.385 1.00 0.00 H new ATOM 1255 N ARG A 85 90.148 15.446 -8.504 1.00 0.00 N ATOM 1256 CA ARG A 85 91.487 15.532 -9.074 1.00 0.00 C ATOM 1257 C ARG A 85 92.064 14.133 -9.294 1.00 0.00 C ATOM 1258 O ARG A 85 91.639 13.171 -8.654 1.00 0.00 O ATOM 1259 CB ARG A 85 92.406 16.320 -8.138 1.00 0.00 C ATOM 1260 CG ARG A 85 92.507 17.772 -8.615 1.00 0.00 C ATOM 1261 CD ARG A 85 93.500 18.529 -7.732 1.00 0.00 C ATOM 1262 NE ARG A 85 94.866 18.151 -8.075 1.00 0.00 N ATOM 1263 CZ ARG A 85 95.908 18.669 -7.433 1.00 0.00 C ATOM 1264 NH1 ARG A 85 95.722 19.535 -6.473 1.00 0.00 N ATOM 1265 NH2 ARG A 85 97.119 18.311 -7.762 1.00 0.00 N ATOM 0 H ARG A 85 89.965 14.595 -7.973 1.00 0.00 H new ATOM 0 HA ARG A 85 91.421 16.045 -10.034 1.00 0.00 H new ATOM 0 HB2 ARG A 85 92.018 16.288 -7.120 1.00 0.00 H new ATOM 0 HB3 ARG A 85 93.396 15.865 -8.116 1.00 0.00 H new ATOM 0 HG2 ARG A 85 92.831 17.803 -9.655 1.00 0.00 H new ATOM 0 HG3 ARG A 85 91.528 18.249 -8.572 1.00 0.00 H new ATOM 0 HD2 ARG A 85 93.368 19.603 -7.862 1.00 0.00 H new ATOM 0 HD3 ARG A 85 93.306 18.309 -6.682 1.00 0.00 H new ATOM 0 HE ARG A 85 95.025 17.476 -8.823 1.00 0.00 H new ATOM 0 HH11 ARG A 85 94.776 19.815 -6.215 1.00 0.00 H new ATOM 0 HH12 ARG A 85 96.523 19.931 -5.981 1.00 0.00 H new ATOM 0 HH21 ARG A 85 97.265 17.634 -8.511 1.00 0.00 H new ATOM 0 HH22 ARG A 85 97.920 18.708 -7.270 1.00 0.00 H new ATOM 1279 N PRO A 86 93.018 14.008 -10.179 1.00 0.00 N ATOM 1280 CA PRO A 86 93.667 12.703 -10.485 1.00 0.00 C ATOM 1281 C PRO A 86 93.903 11.863 -9.231 1.00 0.00 C ATOM 1282 O PRO A 86 94.775 12.173 -8.420 1.00 0.00 O ATOM 1283 CB PRO A 86 94.993 13.111 -11.126 1.00 0.00 C ATOM 1284 CG PRO A 86 94.745 14.447 -11.750 1.00 0.00 C ATOM 1285 CD PRO A 86 93.584 15.098 -10.990 1.00 0.00 C ATOM 0 HA PRO A 86 93.047 12.076 -11.126 1.00 0.00 H new ATOM 0 HB2 PRO A 86 95.787 13.168 -10.381 1.00 0.00 H new ATOM 0 HB3 PRO A 86 95.308 12.382 -11.873 1.00 0.00 H new ATOM 0 HG2 PRO A 86 95.638 15.069 -11.693 1.00 0.00 H new ATOM 0 HG3 PRO A 86 94.499 14.338 -12.806 1.00 0.00 H new ATOM 0 HD2 PRO A 86 93.931 15.920 -10.364 1.00 0.00 H new ATOM 0 HD3 PRO A 86 92.843 15.510 -11.675 1.00 0.00 H new ATOM 1293 N ILE A 87 93.120 10.799 -9.086 1.00 0.00 N ATOM 1294 CA ILE A 87 93.243 9.912 -7.932 1.00 0.00 C ATOM 1295 C ILE A 87 94.701 9.466 -7.745 1.00 0.00 C ATOM 1296 O ILE A 87 95.211 8.678 -8.541 1.00 0.00 O ATOM 1297 CB ILE A 87 92.364 8.677 -8.140 1.00 0.00 C ATOM 1298 CG1 ILE A 87 90.920 9.119 -8.397 1.00 0.00 C ATOM 1299 CG2 ILE A 87 92.410 7.799 -6.889 1.00 0.00 C ATOM 1300 CD1 ILE A 87 90.061 7.896 -8.721 1.00 0.00 C ATOM 0 H ILE A 87 92.395 10.529 -9.751 1.00 0.00 H new ATOM 0 HA ILE A 87 92.922 10.454 -7.043 1.00 0.00 H new ATOM 0 HB ILE A 87 92.732 8.110 -8.995 1.00 0.00 H new ATOM 0 HG12 ILE A 87 90.524 9.632 -7.521 1.00 0.00 H new ATOM 0 HG13 ILE A 87 90.888 9.829 -9.224 1.00 0.00 H new ATOM 0 HG21 ILE A 87 91.783 6.920 -7.038 1.00 0.00 H new ATOM 0 HG22 ILE A 87 93.437 7.485 -6.702 1.00 0.00 H new ATOM 0 HG23 ILE A 87 92.042 8.365 -6.033 1.00 0.00 H new ATOM 0 HD11 ILE A 87 89.034 8.211 -8.904 1.00 0.00 H new ATOM 0 HD12 ILE A 87 90.453 7.402 -9.610 1.00 0.00 H new ATOM 0 HD13 ILE A 87 90.084 7.202 -7.880 1.00 0.00 H new ATOM 1312 N PRO A 88 95.382 9.941 -6.723 1.00 0.00 N ATOM 1313 CA PRO A 88 96.803 9.558 -6.468 1.00 0.00 C ATOM 1314 C PRO A 88 97.017 8.047 -6.546 1.00 0.00 C ATOM 1315 O PRO A 88 96.065 7.271 -6.469 1.00 0.00 O ATOM 1316 CB PRO A 88 97.073 10.073 -5.053 1.00 0.00 C ATOM 1317 CG PRO A 88 96.111 11.194 -4.846 1.00 0.00 C ATOM 1318 CD PRO A 88 94.884 10.887 -5.706 1.00 0.00 C ATOM 0 HA PRO A 88 97.477 9.978 -7.215 1.00 0.00 H new ATOM 0 HB2 PRO A 88 96.923 9.286 -4.314 1.00 0.00 H new ATOM 0 HB3 PRO A 88 98.103 10.415 -4.950 1.00 0.00 H new ATOM 0 HG2 PRO A 88 95.835 11.278 -3.795 1.00 0.00 H new ATOM 0 HG3 PRO A 88 96.558 12.145 -5.135 1.00 0.00 H new ATOM 0 HD2 PRO A 88 94.082 10.448 -5.113 1.00 0.00 H new ATOM 0 HD3 PRO A 88 94.483 11.791 -6.165 1.00 0.00 H new ATOM 1326 N GLU A 89 98.274 7.638 -6.700 1.00 0.00 N ATOM 1327 CA GLU A 89 98.605 6.223 -6.787 1.00 0.00 C ATOM 1328 C GLU A 89 98.136 5.485 -5.539 1.00 0.00 C ATOM 1329 O GLU A 89 97.774 4.318 -5.602 1.00 0.00 O ATOM 1330 CB GLU A 89 100.118 6.047 -6.945 1.00 0.00 C ATOM 1331 CG GLU A 89 100.844 6.978 -5.973 1.00 0.00 C ATOM 1332 CD GLU A 89 101.496 8.124 -6.739 1.00 0.00 C ATOM 1333 OE1 GLU A 89 102.413 7.857 -7.499 1.00 0.00 O ATOM 1334 OE2 GLU A 89 101.067 9.252 -6.556 1.00 0.00 O ATOM 0 H GLU A 89 99.075 8.266 -6.767 1.00 0.00 H new ATOM 0 HA GLU A 89 98.097 5.805 -7.656 1.00 0.00 H new ATOM 0 HB2 GLU A 89 100.397 5.011 -6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 89 100.416 6.270 -7.970 1.00 0.00 H new ATOM 0 HG2 GLU A 89 100.140 7.373 -5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 89 101.601 6.422 -5.420 1.00 0.00 H new ATOM 1341 N LYS A 90 98.144 6.177 -4.408 1.00 0.00 N ATOM 1342 CA LYS A 90 97.716 5.577 -3.155 1.00 0.00 C ATOM 1343 C LYS A 90 96.241 5.209 -3.224 1.00 0.00 C ATOM 1344 O LYS A 90 95.877 4.051 -3.051 1.00 0.00 O ATOM 1345 CB LYS A 90 97.949 6.553 -1.999 1.00 0.00 C ATOM 1346 CG LYS A 90 99.413 6.487 -1.558 1.00 0.00 C ATOM 1347 CD LYS A 90 99.735 7.692 -0.672 1.00 0.00 C ATOM 1348 CE LYS A 90 101.210 7.650 -0.263 1.00 0.00 C ATOM 1349 NZ LYS A 90 101.394 6.644 0.821 1.00 0.00 N ATOM 0 H LYS A 90 98.441 7.150 -4.334 1.00 0.00 H new ATOM 0 HA LYS A 90 98.300 4.673 -2.985 1.00 0.00 H new ATOM 0 HB2 LYS A 90 97.698 7.567 -2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 90 97.295 6.305 -1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 90 99.598 5.562 -1.013 1.00 0.00 H new ATOM 0 HG3 LYS A 90 100.066 6.479 -2.430 1.00 0.00 H new ATOM 0 HD2 LYS A 90 99.522 8.617 -1.208 1.00 0.00 H new ATOM 0 HD3 LYS A 90 99.101 7.684 0.215 1.00 0.00 H new ATOM 0 HE2 LYS A 90 101.830 7.393 -1.122 1.00 0.00 H new ATOM 0 HE3 LYS A 90 101.532 8.633 0.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 102.373 6.685 1.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 100.739 6.851 1.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 101.199 5.693 0.448 1.00 0.00 H new ATOM 1363 N LEU A 91 95.402 6.202 -3.499 1.00 0.00 N ATOM 1364 CA LEU A 91 93.974 5.981 -3.608 1.00 0.00 C ATOM 1365 C LEU A 91 93.699 5.128 -4.824 1.00 0.00 C ATOM 1366 O LEU A 91 92.934 4.174 -4.776 1.00 0.00 O ATOM 1367 CB LEU A 91 93.255 7.322 -3.738 1.00 0.00 C ATOM 1368 CG LEU A 91 93.231 8.012 -2.376 1.00 0.00 C ATOM 1369 CD1 LEU A 91 94.649 8.438 -1.988 1.00 0.00 C ATOM 1370 CD2 LEU A 91 92.331 9.245 -2.448 1.00 0.00 C ATOM 0 H LEU A 91 95.692 7.168 -3.650 1.00 0.00 H new ATOM 0 HA LEU A 91 93.610 5.471 -2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 91 93.763 7.951 -4.469 1.00 0.00 H new ATOM 0 HB3 LEU A 91 92.238 7.170 -4.100 1.00 0.00 H new ATOM 0 HG LEU A 91 92.845 7.320 -1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 91 94.628 8.930 -1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 91 95.292 7.559 -1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 91 95.039 9.129 -2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 91 92.312 9.739 -1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 91 92.718 9.934 -3.198 1.00 0.00 H new ATOM 0 HD23 LEU A 91 91.320 8.942 -2.720 1.00 0.00 H new ATOM 1382 N LYS A 92 94.348 5.468 -5.919 1.00 0.00 N ATOM 1383 CA LYS A 92 94.175 4.709 -7.128 1.00 0.00 C ATOM 1384 C LYS A 92 94.592 3.270 -6.872 1.00 0.00 C ATOM 1385 O LYS A 92 93.797 2.361 -7.042 1.00 0.00 O ATOM 1386 CB LYS A 92 95.010 5.303 -8.263 1.00 0.00 C ATOM 1387 CG LYS A 92 94.501 4.765 -9.604 1.00 0.00 C ATOM 1388 CD LYS A 92 95.533 5.045 -10.700 1.00 0.00 C ATOM 1389 CE LYS A 92 95.516 6.533 -11.056 1.00 0.00 C ATOM 1390 NZ LYS A 92 96.442 6.781 -12.196 1.00 0.00 N ATOM 0 H LYS A 92 94.991 6.256 -5.991 1.00 0.00 H new ATOM 0 HA LYS A 92 93.127 4.743 -7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 92 94.945 6.391 -8.247 1.00 0.00 H new ATOM 0 HB3 LYS A 92 96.061 5.045 -8.130 1.00 0.00 H new ATOM 0 HG2 LYS A 92 94.317 3.693 -9.530 1.00 0.00 H new ATOM 0 HG3 LYS A 92 93.551 5.235 -9.858 1.00 0.00 H new ATOM 0 HD2 LYS A 92 96.527 4.754 -10.360 1.00 0.00 H new ATOM 0 HD3 LYS A 92 95.311 4.447 -11.584 1.00 0.00 H new ATOM 0 HE2 LYS A 92 94.505 6.843 -11.321 1.00 0.00 H new ATOM 0 HE3 LYS A 92 95.816 7.128 -10.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 96.431 7.792 -12.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 97.407 6.500 -11.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 96.136 6.224 -13.019 1.00 0.00 H new ATOM 1404 N LYS A 93 95.837 3.075 -6.438 1.00 0.00 N ATOM 1405 CA LYS A 93 96.327 1.728 -6.151 1.00 0.00 C ATOM 1406 C LYS A 93 95.501 1.077 -5.057 1.00 0.00 C ATOM 1407 O LYS A 93 95.166 -0.097 -5.141 1.00 0.00 O ATOM 1408 CB LYS A 93 97.800 1.755 -5.728 1.00 0.00 C ATOM 1409 CG LYS A 93 98.331 0.322 -5.635 1.00 0.00 C ATOM 1410 CD LYS A 93 99.855 0.334 -5.764 1.00 0.00 C ATOM 1411 CE LYS A 93 100.243 0.159 -7.234 1.00 0.00 C ATOM 1412 NZ LYS A 93 100.186 -1.286 -7.594 1.00 0.00 N ATOM 0 H LYS A 93 96.515 3.820 -6.279 1.00 0.00 H new ATOM 0 HA LYS A 93 96.234 1.144 -7.067 1.00 0.00 H new ATOM 0 HB2 LYS A 93 98.386 2.325 -6.449 1.00 0.00 H new ATOM 0 HB3 LYS A 93 97.904 2.256 -4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 93 98.039 -0.124 -4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 93 97.893 -0.291 -6.423 1.00 0.00 H new ATOM 0 HD2 LYS A 93 100.256 1.272 -5.380 1.00 0.00 H new ATOM 0 HD3 LYS A 93 100.288 -0.467 -5.165 1.00 0.00 H new ATOM 0 HE2 LYS A 93 99.567 0.730 -7.870 1.00 0.00 H new ATOM 0 HE3 LYS A 93 101.247 0.548 -7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 100.515 -1.413 -8.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 100.797 -1.828 -6.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 99.207 -1.626 -7.511 1.00 0.00 H new ATOM 1426 N ARG A 94 95.172 1.845 -4.039 1.00 0.00 N ATOM 1427 CA ARG A 94 94.370 1.313 -2.938 1.00 0.00 C ATOM 1428 C ARG A 94 92.982 0.959 -3.440 1.00 0.00 C ATOM 1429 O ARG A 94 92.550 -0.184 -3.342 1.00 0.00 O ATOM 1430 CB ARG A 94 94.253 2.326 -1.797 1.00 0.00 C ATOM 1431 CG ARG A 94 95.606 2.466 -1.098 1.00 0.00 C ATOM 1432 CD ARG A 94 95.633 1.579 0.148 1.00 0.00 C ATOM 1433 NE ARG A 94 97.002 1.425 0.625 1.00 0.00 N ATOM 1434 CZ ARG A 94 97.556 2.332 1.421 1.00 0.00 C ATOM 1435 NH1 ARG A 94 96.867 3.373 1.802 1.00 0.00 N ATOM 1436 NH2 ARG A 94 98.789 2.181 1.824 1.00 0.00 N ATOM 0 H ARG A 94 95.438 2.825 -3.944 1.00 0.00 H new ATOM 0 HA ARG A 94 94.868 0.421 -2.558 1.00 0.00 H new ATOM 0 HB2 ARG A 94 93.931 3.292 -2.186 1.00 0.00 H new ATOM 0 HB3 ARG A 94 93.495 2.001 -1.084 1.00 0.00 H new ATOM 0 HG2 ARG A 94 96.409 2.181 -1.777 1.00 0.00 H new ATOM 0 HG3 ARG A 94 95.778 3.506 -0.820 1.00 0.00 H new ATOM 0 HD2 ARG A 94 95.015 2.019 0.930 1.00 0.00 H new ATOM 0 HD3 ARG A 94 95.208 0.602 -0.083 1.00 0.00 H new ATOM 0 HE ARG A 94 97.543 0.608 0.343 1.00 0.00 H new ATOM 0 HH11 ARG A 94 95.903 3.489 1.488 1.00 0.00 H new ATOM 0 HH12 ARG A 94 97.292 4.070 2.413 1.00 0.00 H new ATOM 0 HH21 ARG A 94 99.326 1.366 1.527 1.00 0.00 H new ATOM 0 HH22 ARG A 94 99.215 2.878 2.435 1.00 0.00 H new ATOM 1450 N LEU A 95 92.291 1.949 -3.988 1.00 0.00 N ATOM 1451 CA LEU A 95 90.953 1.732 -4.514 1.00 0.00 C ATOM 1452 C LEU A 95 91.003 0.756 -5.680 1.00 0.00 C ATOM 1453 O LEU A 95 90.096 -0.051 -5.855 1.00 0.00 O ATOM 1454 CB LEU A 95 90.348 3.058 -4.962 1.00 0.00 C ATOM 1455 CG LEU A 95 90.302 3.998 -3.759 1.00 0.00 C ATOM 1456 CD1 LEU A 95 89.933 5.413 -4.209 1.00 0.00 C ATOM 1457 CD2 LEU A 95 89.262 3.500 -2.747 1.00 0.00 C ATOM 0 H LEU A 95 92.634 2.905 -4.079 1.00 0.00 H new ATOM 0 HA LEU A 95 90.327 1.308 -3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 95 90.944 3.496 -5.763 1.00 0.00 H new ATOM 0 HB3 LEU A 95 89.345 2.902 -5.360 1.00 0.00 H new ATOM 0 HG LEU A 95 91.287 4.015 -3.292 1.00 0.00 H new ATOM 0 HD11 LEU A 95 89.903 6.074 -3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 95 90.678 5.776 -4.917 1.00 0.00 H new ATOM 0 HD13 LEU A 95 88.954 5.399 -4.688 1.00 0.00 H new ATOM 0 HD21 LEU A 95 89.234 4.175 -1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 95 88.280 3.472 -3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 95 89.532 2.499 -2.411 1.00 0.00 H new ATOM 1469 N GLN A 96 92.082 0.821 -6.456 1.00 0.00 N ATOM 1470 CA GLN A 96 92.246 -0.090 -7.592 1.00 0.00 C ATOM 1471 C GLN A 96 92.566 -1.477 -7.076 1.00 0.00 C ATOM 1472 O GLN A 96 91.875 -2.440 -7.383 1.00 0.00 O ATOM 1473 CB GLN A 96 93.367 0.368 -8.535 1.00 0.00 C ATOM 1474 CG GLN A 96 93.504 -0.627 -9.693 1.00 0.00 C ATOM 1475 CD GLN A 96 92.182 -0.740 -10.446 1.00 0.00 C ATOM 1476 OE1 GLN A 96 91.387 -1.639 -10.175 1.00 0.00 O ATOM 1477 NE2 GLN A 96 91.900 0.123 -11.384 1.00 0.00 N ATOM 0 H GLN A 96 92.847 1.483 -6.325 1.00 0.00 H new ATOM 0 HA GLN A 96 91.313 -0.095 -8.156 1.00 0.00 H new ATOM 0 HB2 GLN A 96 93.147 1.363 -8.922 1.00 0.00 H new ATOM 0 HB3 GLN A 96 94.308 0.439 -7.990 1.00 0.00 H new ATOM 0 HG2 GLN A 96 94.292 -0.300 -10.372 1.00 0.00 H new ATOM 0 HG3 GLN A 96 93.798 -1.604 -9.310 1.00 0.00 H new ATOM 0 HE21 GLN A 96 92.560 0.868 -11.607 1.00 0.00 H new ATOM 0 HE22 GLN A 96 91.019 0.053 -11.894 1.00 0.00 H new ATOM 1486 N LEU A 97 93.613 -1.559 -6.270 1.00 0.00 N ATOM 1487 CA LEU A 97 94.020 -2.825 -5.682 1.00 0.00 C ATOM 1488 C LEU A 97 92.892 -3.345 -4.812 1.00 0.00 C ATOM 1489 O LEU A 97 92.634 -4.542 -4.765 1.00 0.00 O ATOM 1490 CB LEU A 97 95.288 -2.646 -4.842 1.00 0.00 C ATOM 1491 CG LEU A 97 95.795 -4.013 -4.382 1.00 0.00 C ATOM 1492 CD1 LEU A 97 96.697 -4.614 -5.463 1.00 0.00 C ATOM 1493 CD2 LEU A 97 96.594 -3.849 -3.087 1.00 0.00 C ATOM 0 H LEU A 97 94.196 -0.764 -6.008 1.00 0.00 H new ATOM 0 HA LEU A 97 94.237 -3.539 -6.477 1.00 0.00 H new ATOM 0 HB2 LEU A 97 96.056 -2.140 -5.427 1.00 0.00 H new ATOM 0 HB3 LEU A 97 95.078 -2.015 -3.978 1.00 0.00 H new ATOM 0 HG LEU A 97 94.947 -4.675 -4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 97 97.058 -5.589 -5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 97 96.130 -4.729 -6.387 1.00 0.00 H new ATOM 0 HD13 LEU A 97 97.545 -3.953 -5.638 1.00 0.00 H new ATOM 0 HD21 LEU A 97 96.956 -4.823 -2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 97 97.442 -3.187 -3.264 1.00 0.00 H new ATOM 0 HD23 LEU A 97 95.954 -3.420 -2.316 1.00 0.00 H new ATOM 1505 N GLU A 98 92.201 -2.427 -4.146 1.00 0.00 N ATOM 1506 CA GLU A 98 91.075 -2.805 -3.313 1.00 0.00 C ATOM 1507 C GLU A 98 89.917 -3.184 -4.219 1.00 0.00 C ATOM 1508 O GLU A 98 89.261 -4.195 -4.008 1.00 0.00 O ATOM 1509 CB GLU A 98 90.662 -1.658 -2.388 1.00 0.00 C ATOM 1510 CG GLU A 98 89.474 -2.096 -1.529 1.00 0.00 C ATOM 1511 CD GLU A 98 88.282 -1.180 -1.785 1.00 0.00 C ATOM 1512 OE1 GLU A 98 88.200 -0.151 -1.135 1.00 0.00 O ATOM 1513 OE2 GLU A 98 87.468 -1.520 -2.629 1.00 0.00 O ATOM 0 H GLU A 98 92.401 -1.427 -4.168 1.00 0.00 H new ATOM 0 HA GLU A 98 91.360 -3.649 -2.684 1.00 0.00 H new ATOM 0 HB2 GLU A 98 91.499 -1.372 -1.751 1.00 0.00 H new ATOM 0 HB3 GLU A 98 90.395 -0.781 -2.977 1.00 0.00 H new ATOM 0 HG2 GLU A 98 89.207 -3.127 -1.760 1.00 0.00 H new ATOM 0 HG3 GLU A 98 89.746 -2.066 -0.474 1.00 0.00 H new ATOM 1520 N PHE A 99 89.699 -2.371 -5.255 1.00 0.00 N ATOM 1521 CA PHE A 99 88.637 -2.646 -6.218 1.00 0.00 C ATOM 1522 C PHE A 99 88.929 -3.945 -6.920 1.00 0.00 C ATOM 1523 O PHE A 99 88.029 -4.720 -7.200 1.00 0.00 O ATOM 1524 CB PHE A 99 88.555 -1.546 -7.262 1.00 0.00 C ATOM 1525 CG PHE A 99 87.705 -1.990 -8.431 1.00 0.00 C ATOM 1526 CD1 PHE A 99 88.236 -2.852 -9.402 1.00 0.00 C ATOM 1527 CD2 PHE A 99 86.391 -1.530 -8.551 1.00 0.00 C ATOM 1528 CE1 PHE A 99 87.450 -3.253 -10.487 1.00 0.00 C ATOM 1529 CE2 PHE A 99 85.604 -1.931 -9.638 1.00 0.00 C ATOM 1530 CZ PHE A 99 86.134 -2.794 -10.606 1.00 0.00 C ATOM 0 H PHE A 99 90.238 -1.527 -5.445 1.00 0.00 H new ATOM 0 HA PHE A 99 87.691 -2.700 -5.679 1.00 0.00 H new ATOM 0 HB2 PHE A 99 88.131 -0.645 -6.818 1.00 0.00 H new ATOM 0 HB3 PHE A 99 89.556 -1.290 -7.609 1.00 0.00 H new ATOM 0 HD1 PHE A 99 89.252 -3.206 -9.312 1.00 0.00 H new ATOM 0 HD2 PHE A 99 85.982 -0.865 -7.805 1.00 0.00 H new ATOM 0 HE1 PHE A 99 87.859 -3.917 -11.234 1.00 0.00 H new ATOM 0 HE2 PHE A 99 84.589 -1.575 -9.730 1.00 0.00 H new ATOM 0 HZ PHE A 99 85.527 -3.105 -11.443 1.00 0.00 H new ATOM 1540 N THR A 100 90.200 -4.182 -7.208 1.00 0.00 N ATOM 1541 CA THR A 100 90.566 -5.419 -7.874 1.00 0.00 C ATOM 1542 C THR A 100 90.573 -6.539 -6.849 1.00 0.00 C ATOM 1543 O THR A 100 90.044 -7.620 -7.096 1.00 0.00 O ATOM 1544 CB THR A 100 91.922 -5.287 -8.578 1.00 0.00 C ATOM 1545 OG1 THR A 100 91.848 -5.915 -9.850 1.00 0.00 O ATOM 1546 CG2 THR A 100 93.038 -5.940 -7.757 1.00 0.00 C ATOM 0 H THR A 100 90.975 -3.553 -6.998 1.00 0.00 H new ATOM 0 HA THR A 100 89.835 -5.649 -8.649 1.00 0.00 H new ATOM 0 HB THR A 100 92.153 -4.227 -8.689 1.00 0.00 H new ATOM 0 HG1 THR A 100 92.711 -5.833 -10.306 1.00 0.00 H new ATOM 0 HG21 THR A 100 93.987 -5.830 -8.281 1.00 0.00 H new ATOM 0 HG22 THR A 100 93.104 -5.456 -6.783 1.00 0.00 H new ATOM 0 HG23 THR A 100 92.818 -6.999 -7.622 1.00 0.00 H new ATOM 1554 N GLN A 101 91.129 -6.267 -5.673 1.00 0.00 N ATOM 1555 CA GLN A 101 91.127 -7.282 -4.622 1.00 0.00 C ATOM 1556 C GLN A 101 89.688 -7.518 -4.191 1.00 0.00 C ATOM 1557 O GLN A 101 89.324 -8.602 -3.744 1.00 0.00 O ATOM 1558 CB GLN A 101 91.956 -6.846 -3.410 1.00 0.00 C ATOM 1559 CG GLN A 101 93.447 -6.960 -3.733 1.00 0.00 C ATOM 1560 CD GLN A 101 93.893 -8.413 -3.622 1.00 0.00 C ATOM 1561 OE1 GLN A 101 93.800 -9.167 -4.591 1.00 0.00 O ATOM 1562 NE2 GLN A 101 94.375 -8.854 -2.493 1.00 0.00 N ATOM 0 H GLN A 101 91.574 -5.383 -5.426 1.00 0.00 H new ATOM 0 HA GLN A 101 91.574 -8.195 -5.016 1.00 0.00 H new ATOM 0 HB2 GLN A 101 91.711 -5.819 -3.141 1.00 0.00 H new ATOM 0 HB3 GLN A 101 91.713 -7.468 -2.549 1.00 0.00 H new ATOM 0 HG2 GLN A 101 93.639 -6.587 -4.739 1.00 0.00 H new ATOM 0 HG3 GLN A 101 94.025 -6.340 -3.048 1.00 0.00 H new ATOM 0 HE21 GLN A 101 94.451 -8.228 -1.692 1.00 0.00 H new ATOM 0 HE22 GLN A 101 94.676 -9.825 -2.412 1.00 0.00 H new ATOM 1571 N ALA A 102 88.873 -6.480 -4.346 1.00 0.00 N ATOM 1572 CA ALA A 102 87.461 -6.559 -3.997 1.00 0.00 C ATOM 1573 C ALA A 102 86.659 -7.116 -5.162 1.00 0.00 C ATOM 1574 O ALA A 102 85.931 -8.096 -5.021 1.00 0.00 O ATOM 1575 CB ALA A 102 86.931 -5.172 -3.634 1.00 0.00 C ATOM 0 H ALA A 102 89.167 -5.574 -4.711 1.00 0.00 H new ATOM 0 HA ALA A 102 87.355 -7.223 -3.139 1.00 0.00 H new ATOM 0 HB1 ALA A 102 85.875 -5.243 -3.375 1.00 0.00 H new ATOM 0 HB2 ALA A 102 87.488 -4.781 -2.783 1.00 0.00 H new ATOM 0 HB3 ALA A 102 87.052 -4.502 -4.485 1.00 0.00 H new ATOM 1581 N GLU A 103 86.796 -6.468 -6.307 1.00 0.00 N ATOM 1582 CA GLU A 103 86.081 -6.871 -7.513 1.00 0.00 C ATOM 1583 C GLU A 103 86.710 -8.101 -8.154 1.00 0.00 C ATOM 1584 O GLU A 103 86.018 -9.072 -8.463 1.00 0.00 O ATOM 1585 CB GLU A 103 86.098 -5.730 -8.535 1.00 0.00 C ATOM 1586 CG GLU A 103 85.026 -5.978 -9.603 1.00 0.00 C ATOM 1587 CD GLU A 103 85.634 -5.856 -10.997 1.00 0.00 C ATOM 1588 OE1 GLU A 103 86.741 -6.335 -11.185 1.00 0.00 O ATOM 1589 OE2 GLU A 103 84.982 -5.289 -11.858 1.00 0.00 O ATOM 0 H GLU A 103 87.399 -5.655 -6.430 1.00 0.00 H new ATOM 0 HA GLU A 103 85.058 -7.110 -7.221 1.00 0.00 H new ATOM 0 HB2 GLU A 103 85.915 -4.779 -8.036 1.00 0.00 H new ATOM 0 HB3 GLU A 103 87.081 -5.661 -9.001 1.00 0.00 H new ATOM 0 HG2 GLU A 103 84.594 -6.970 -9.472 1.00 0.00 H new ATOM 0 HG3 GLU A 103 84.214 -5.260 -9.488 1.00 0.00 H new ATOM 1596 N ARG A 104 88.016 -8.043 -8.386 1.00 0.00 N ATOM 1597 CA ARG A 104 88.706 -9.161 -9.036 1.00 0.00 C ATOM 1598 C ARG A 104 88.672 -10.435 -8.192 1.00 0.00 C ATOM 1599 O ARG A 104 88.630 -11.537 -8.737 1.00 0.00 O ATOM 1600 CB ARG A 104 90.161 -8.792 -9.343 1.00 0.00 C ATOM 1601 CG ARG A 104 90.561 -9.380 -10.698 1.00 0.00 C ATOM 1602 CD ARG A 104 92.060 -9.174 -10.920 1.00 0.00 C ATOM 1603 NE ARG A 104 92.369 -9.196 -12.345 1.00 0.00 N ATOM 1604 CZ ARG A 104 92.386 -10.337 -13.028 1.00 0.00 C ATOM 1605 NH1 ARG A 104 92.127 -11.464 -12.424 1.00 0.00 N ATOM 1606 NH2 ARG A 104 92.666 -10.329 -14.302 1.00 0.00 N ATOM 0 H ARG A 104 88.613 -7.253 -8.141 1.00 0.00 H new ATOM 0 HA ARG A 104 88.172 -9.360 -9.965 1.00 0.00 H new ATOM 0 HB2 ARG A 104 90.278 -7.708 -9.356 1.00 0.00 H new ATOM 0 HB3 ARG A 104 90.817 -9.174 -8.561 1.00 0.00 H new ATOM 0 HG2 ARG A 104 90.320 -10.443 -10.731 1.00 0.00 H new ATOM 0 HG3 ARG A 104 89.995 -8.900 -11.496 1.00 0.00 H new ATOM 0 HD2 ARG A 104 92.371 -8.223 -10.488 1.00 0.00 H new ATOM 0 HD3 ARG A 104 92.621 -9.955 -10.407 1.00 0.00 H new ATOM 0 HE ARG A 104 92.576 -8.321 -12.826 1.00 0.00 H new ATOM 0 HH11 ARG A 104 91.911 -11.471 -11.427 1.00 0.00 H new ATOM 0 HH12 ARG A 104 92.140 -12.339 -12.949 1.00 0.00 H new ATOM 0 HH21 ARG A 104 92.872 -9.448 -14.773 1.00 0.00 H new ATOM 0 HH22 ARG A 104 92.679 -11.204 -14.827 1.00 0.00 H new ATOM 1620 N SER A 105 88.706 -10.295 -6.872 1.00 0.00 N ATOM 1621 CA SER A 105 88.694 -11.472 -6.004 1.00 0.00 C ATOM 1622 C SER A 105 87.273 -11.956 -5.723 1.00 0.00 C ATOM 1623 O SER A 105 86.980 -13.144 -5.864 1.00 0.00 O ATOM 1624 CB SER A 105 89.397 -11.165 -4.685 1.00 0.00 C ATOM 1625 OG SER A 105 88.439 -10.712 -3.737 1.00 0.00 O ATOM 0 H SER A 105 88.741 -9.400 -6.385 1.00 0.00 H new ATOM 0 HA SER A 105 89.226 -12.266 -6.528 1.00 0.00 H new ATOM 0 HB2 SER A 105 89.901 -12.057 -4.312 1.00 0.00 H new ATOM 0 HB3 SER A 105 90.164 -10.405 -4.836 1.00 0.00 H new ATOM 0 HG SER A 105 88.706 -9.833 -3.397 1.00 0.00 H new ATOM 1631 N ILE A 106 86.395 -11.046 -5.310 1.00 0.00 N ATOM 1632 CA ILE A 106 85.016 -11.434 -5.002 1.00 0.00 C ATOM 1633 C ILE A 106 84.295 -11.928 -6.253 1.00 0.00 C ATOM 1634 O ILE A 106 83.582 -12.932 -6.212 1.00 0.00 O ATOM 1635 CB ILE A 106 84.243 -10.259 -4.401 1.00 0.00 C ATOM 1636 CG1 ILE A 106 84.990 -9.723 -3.175 1.00 0.00 C ATOM 1637 CG2 ILE A 106 82.850 -10.730 -3.977 1.00 0.00 C ATOM 1638 CD1 ILE A 106 84.525 -10.475 -1.922 1.00 0.00 C ATOM 0 H ILE A 106 86.604 -10.056 -5.182 1.00 0.00 H new ATOM 0 HA ILE A 106 85.058 -12.244 -4.274 1.00 0.00 H new ATOM 0 HB ILE A 106 84.153 -9.468 -5.146 1.00 0.00 H new ATOM 0 HG12 ILE A 106 86.065 -9.847 -3.308 1.00 0.00 H new ATOM 0 HG13 ILE A 106 84.804 -8.655 -3.061 1.00 0.00 H new ATOM 0 HG21 ILE A 106 82.298 -9.894 -3.548 1.00 0.00 H new ATOM 0 HG22 ILE A 106 82.314 -11.111 -4.847 1.00 0.00 H new ATOM 0 HG23 ILE A 106 82.944 -11.522 -3.234 1.00 0.00 H new ATOM 0 HD11 ILE A 106 85.057 -10.093 -1.050 1.00 0.00 H new ATOM 0 HD12 ILE A 106 83.453 -10.328 -1.786 1.00 0.00 H new ATOM 0 HD13 ILE A 106 84.734 -11.539 -2.037 1.00 0.00 H new ATOM 1650 N GLU A 107 84.478 -11.218 -7.360 1.00 0.00 N ATOM 1651 CA GLU A 107 83.829 -11.596 -8.612 1.00 0.00 C ATOM 1652 C GLU A 107 84.381 -12.917 -9.135 1.00 0.00 C ATOM 1653 O GLU A 107 83.664 -13.696 -9.763 1.00 0.00 O ATOM 1654 CB GLU A 107 84.042 -10.504 -9.662 1.00 0.00 C ATOM 1655 CG GLU A 107 83.059 -10.708 -10.816 1.00 0.00 C ATOM 1656 CD GLU A 107 83.303 -9.665 -11.900 1.00 0.00 C ATOM 1657 OE1 GLU A 107 84.233 -9.844 -12.670 1.00 0.00 O ATOM 1658 OE2 GLU A 107 82.556 -8.701 -11.945 1.00 0.00 O ATOM 0 H GLU A 107 85.064 -10.385 -7.418 1.00 0.00 H new ATOM 0 HA GLU A 107 82.763 -11.716 -8.418 1.00 0.00 H new ATOM 0 HB2 GLU A 107 83.895 -9.521 -9.215 1.00 0.00 H new ATOM 0 HB3 GLU A 107 85.066 -10.536 -10.033 1.00 0.00 H new ATOM 0 HG2 GLU A 107 83.175 -11.709 -11.231 1.00 0.00 H new ATOM 0 HG3 GLU A 107 82.035 -10.631 -10.450 1.00 0.00 H new ATOM 1665 N ARG A 108 85.657 -13.162 -8.873 1.00 0.00 N ATOM 1666 CA ARG A 108 86.296 -14.393 -9.323 1.00 0.00 C ATOM 1667 C ARG A 108 86.976 -15.102 -8.157 1.00 0.00 C ATOM 1668 O ARG A 108 86.354 -15.899 -7.456 1.00 0.00 O ATOM 1669 CB ARG A 108 87.330 -14.078 -10.407 1.00 0.00 C ATOM 1670 CG ARG A 108 86.623 -13.919 -11.755 1.00 0.00 C ATOM 1671 CD ARG A 108 86.599 -15.265 -12.482 1.00 0.00 C ATOM 1672 NE ARG A 108 87.955 -15.683 -12.815 1.00 0.00 N ATOM 1673 CZ ARG A 108 88.583 -15.195 -13.879 1.00 0.00 C ATOM 1674 NH1 ARG A 108 87.986 -14.324 -14.647 1.00 0.00 N ATOM 1675 NH2 ARG A 108 89.796 -15.585 -14.158 1.00 0.00 N ATOM 0 H ARG A 108 86.268 -12.530 -8.355 1.00 0.00 H new ATOM 0 HA ARG A 108 85.529 -15.050 -9.733 1.00 0.00 H new ATOM 0 HB2 ARG A 108 87.868 -13.164 -10.157 1.00 0.00 H new ATOM 0 HB3 ARG A 108 88.069 -14.878 -10.464 1.00 0.00 H new ATOM 0 HG2 ARG A 108 85.606 -13.558 -11.604 1.00 0.00 H new ATOM 0 HG3 ARG A 108 87.139 -13.175 -12.362 1.00 0.00 H new ATOM 0 HD2 ARG A 108 86.123 -16.017 -11.853 1.00 0.00 H new ATOM 0 HD3 ARG A 108 86.002 -15.185 -13.391 1.00 0.00 H new ATOM 0 HE ARG A 108 88.430 -16.362 -12.221 1.00 0.00 H new ATOM 0 HH11 ARG A 108 87.037 -14.018 -14.430 1.00 0.00 H new ATOM 0 HH12 ARG A 108 88.468 -13.949 -15.464 1.00 0.00 H new ATOM 0 HH21 ARG A 108 90.263 -16.265 -13.559 1.00 0.00 H new ATOM 0 HH22 ARG A 108 90.277 -15.210 -14.975 1.00 0.00 H new