USER MOD reduce.3.24.130724 H: found=0, std=0, add=444, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 445 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 3 THR OG1 : rot -110:sc= 1.05 USER MOD Set 1.2: A 33 LYS NZ :NH3+ -117:sc= 0.7 (180deg=-0.718) USER MOD Set 2.1: A 29 SER OG : rot 72:sc= 1.54 USER MOD Set 2.2: A 32 THR OG1 : rot -146:sc= 0.9 USER MOD Set 3.1: A 27 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 49 LYS NZ :NH3+ -171:sc= -5.87! (180deg=-6.06!) USER MOD Set 4.1: A 16 SER OG : rot 180:sc= -0.29 USER MOD Set 4.2: A 17 SER OG : rot 180:sc= 0 USER MOD Set 4.3: A 19 SER OG : rot 180:sc= 0 USER MOD Set 4.4: A 22 SER OG : rot -99:sc= 1.12 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -4.57 X(o=-4.6,f=-4.6!) USER MOD Single : A 9 SER OG : rot 76:sc= 0.551 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -83:sc= 0.114 USER MOD Single : A 13 ASN : amide:sc= -2.14 X(o=-2.1,f=-1.7!) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.0255 USER MOD Single : A 45 LYS NZ :NH3+ 149:sc= -0.0202 (180deg=-0.864) USER MOD Single : A 48 TYR OH : rot 180:sc= -0.322 USER MOD Single : A 51 SER OG : rot -26:sc= 0.819 USER MOD Single : A 52 HIS : no HD1:sc= -0.387 X(o=-0.39,f=-0.49) USER MOD Single : A 54 TYR OH : rot 165:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0.611 (180deg=0.611) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 1.763 12.401 -9.067 1.00 1.00 N ATOM 21 CA LYS A 2 0.675 12.148 -8.109 1.00 1.00 C ATOM 22 C LYS A 2 0.425 10.663 -7.968 1.00 1.00 C ATOM 23 O LYS A 2 -0.156 10.199 -6.988 1.00 1.00 O ATOM 24 CB LYS A 2 -0.613 12.837 -8.599 1.00 1.00 C ATOM 25 CG LYS A 2 -0.385 14.356 -8.689 1.00 1.00 C ATOM 26 CD LYS A 2 -1.673 15.062 -9.157 1.00 1.00 C ATOM 27 CE LYS A 2 -1.435 16.575 -9.256 1.00 1.00 C ATOM 28 NZ LYS A 2 -2.689 17.237 -9.703 1.00 1.00 N ATOM 0 HA LYS A 2 0.965 12.550 -7.138 1.00 1.00 H new ATOM 0 HB2 LYS A 2 -0.899 12.444 -9.575 1.00 1.00 H new ATOM 0 HB3 LYS A 2 -1.435 12.622 -7.916 1.00 1.00 H new ATOM 0 HG2 LYS A 2 -0.082 14.744 -7.716 1.00 1.00 H new ATOM 0 HG3 LYS A 2 0.428 14.568 -9.384 1.00 1.00 H new ATOM 0 HD2 LYS A 2 -1.981 14.670 -10.126 1.00 1.00 H new ATOM 0 HD3 LYS A 2 -2.484 14.858 -8.458 1.00 1.00 H new ATOM 0 HE2 LYS A 2 -1.125 16.971 -8.289 1.00 1.00 H new ATOM 0 HE3 LYS A 2 -0.629 16.784 -9.959 1.00 1.00 H new ATOM 0 HZ1 LYS A 2 -2.534 18.263 -9.772 1.00 1.00 H new ATOM 0 HZ2 LYS A 2 -2.965 16.865 -10.634 1.00 1.00 H new ATOM 0 HZ3 LYS A 2 -3.446 17.047 -9.016 1.00 1.00 H new ATOM 42 N THR A 3 0.874 9.910 -8.968 1.00 1.00 N ATOM 43 CA THR A 3 0.696 8.443 -8.990 1.00 1.00 C ATOM 44 C THR A 3 2.005 7.762 -9.351 1.00 1.00 C ATOM 45 O THR A 3 2.858 8.331 -10.030 1.00 1.00 O ATOM 46 CB THR A 3 -0.410 8.059 -10.028 1.00 1.00 C ATOM 47 OG1 THR A 3 0.154 8.012 -11.335 1.00 1.00 O ATOM 48 CG2 THR A 3 -1.552 9.105 -10.028 1.00 1.00 C ATOM 0 H THR A 3 1.366 10.283 -9.780 1.00 1.00 H new ATOM 0 HA THR A 3 0.388 8.109 -7.999 1.00 1.00 H new ATOM 0 HB THR A 3 -0.811 7.085 -9.749 1.00 1.00 H new ATOM 0 HG1 THR A 3 -0.187 8.762 -11.866 1.00 1.00 H new ATOM 0 HG21 THR A 3 -2.309 8.817 -10.757 1.00 1.00 H new ATOM 0 HG22 THR A 3 -2.002 9.152 -9.037 1.00 1.00 H new ATOM 0 HG23 THR A 3 -1.149 10.083 -10.290 1.00 1.00 H new ATOM 56 N GLY A 4 2.152 6.523 -8.892 1.00 1.00 N ATOM 57 CA GLY A 4 3.357 5.725 -9.149 1.00 1.00 C ATOM 58 C GLY A 4 2.992 4.276 -9.422 1.00 1.00 C ATOM 59 O GLY A 4 1.910 3.806 -9.069 1.00 1.00 O ATOM 0 H GLY A 4 1.447 6.042 -8.334 1.00 1.00 H new ATOM 0 HA2 GLY A 4 3.897 6.136 -10.002 1.00 1.00 H new ATOM 0 HA3 GLY A 4 4.027 5.781 -8.291 1.00 1.00 H new ATOM 63 N ILE A 5 3.923 3.560 -10.046 1.00 1.00 N ATOM 64 CA ILE A 5 3.724 2.130 -10.375 1.00 1.00 C ATOM 65 C ILE A 5 4.559 1.263 -9.434 1.00 1.00 C ATOM 66 O ILE A 5 5.728 1.548 -9.170 1.00 1.00 O ATOM 67 CB ILE A 5 4.116 1.858 -11.866 1.00 1.00 C ATOM 68 CG1 ILE A 5 5.485 2.536 -12.188 1.00 1.00 C ATOM 69 CG2 ILE A 5 3.009 2.395 -12.813 1.00 1.00 C ATOM 70 CD1 ILE A 5 6.016 2.090 -13.563 1.00 1.00 C ATOM 0 H ILE A 5 4.825 3.935 -10.338 1.00 1.00 H new ATOM 0 HA ILE A 5 2.672 1.876 -10.246 1.00 1.00 H new ATOM 0 HB ILE A 5 4.213 0.783 -12.020 1.00 1.00 H new ATOM 0 HG12 ILE A 5 5.370 3.620 -12.174 1.00 1.00 H new ATOM 0 HG13 ILE A 5 6.210 2.282 -11.415 1.00 1.00 H new ATOM 0 HG21 ILE A 5 3.290 2.201 -13.848 1.00 1.00 H new ATOM 0 HG22 ILE A 5 2.067 1.893 -12.593 1.00 1.00 H new ATOM 0 HG23 ILE A 5 2.892 3.468 -12.664 1.00 1.00 H new ATOM 0 HD11 ILE A 5 6.970 2.578 -13.760 1.00 1.00 H new ATOM 0 HD12 ILE A 5 6.154 1.009 -13.567 1.00 1.00 H new ATOM 0 HD13 ILE A 5 5.300 2.367 -14.337 1.00 1.00 H new ATOM 82 N VAL A 6 3.943 0.194 -8.939 1.00 1.00 N ATOM 83 CA VAL A 6 4.640 -0.710 -8.021 1.00 1.00 C ATOM 84 C VAL A 6 5.960 -1.179 -8.650 1.00 1.00 C ATOM 85 O VAL A 6 5.974 -1.930 -9.624 1.00 1.00 O ATOM 86 CB VAL A 6 3.738 -1.938 -7.731 1.00 1.00 C ATOM 87 CG1 VAL A 6 4.389 -2.842 -6.657 1.00 1.00 C ATOM 88 CG2 VAL A 6 2.355 -1.466 -7.232 1.00 1.00 C ATOM 0 H VAL A 6 2.980 -0.068 -9.151 1.00 1.00 H new ATOM 0 HA VAL A 6 4.857 -0.184 -7.091 1.00 1.00 H new ATOM 0 HB VAL A 6 3.620 -2.508 -8.653 1.00 1.00 H new ATOM 0 HG11 VAL A 6 3.745 -3.700 -6.464 1.00 1.00 H new ATOM 0 HG12 VAL A 6 5.359 -3.190 -7.013 1.00 1.00 H new ATOM 0 HG13 VAL A 6 4.523 -2.274 -5.736 1.00 1.00 H new ATOM 0 HG21 VAL A 6 1.726 -2.333 -7.030 1.00 1.00 H new ATOM 0 HG22 VAL A 6 2.477 -0.885 -6.318 1.00 1.00 H new ATOM 0 HG23 VAL A 6 1.885 -0.846 -7.996 1.00 1.00 H new ATOM 98 N ASN A 7 7.069 -0.728 -8.069 1.00 1.00 N ATOM 99 CA ASN A 7 8.398 -1.112 -8.572 1.00 1.00 C ATOM 100 C ASN A 7 8.545 -2.635 -8.596 1.00 1.00 C ATOM 101 O ASN A 7 9.097 -3.241 -7.677 1.00 1.00 O ATOM 102 CB ASN A 7 9.488 -0.496 -7.681 1.00 1.00 C ATOM 103 CG ASN A 7 9.390 1.031 -7.683 1.00 1.00 C ATOM 104 OD1 ASN A 7 10.089 1.691 -6.918 1.00 1.00 O ATOM 105 ND2 ASN A 7 8.563 1.633 -8.503 1.00 1.00 N ATOM 0 H ASN A 7 7.082 -0.105 -7.261 1.00 1.00 H new ATOM 0 HA ASN A 7 8.508 -0.737 -9.590 1.00 1.00 H new ATOM 0 HB2 ASN A 7 9.386 -0.870 -6.662 1.00 1.00 H new ATOM 0 HB3 ASN A 7 10.472 -0.803 -8.037 1.00 1.00 H new ATOM 0 HD21 ASN A 7 8.499 2.651 -8.507 1.00 1.00 H new ATOM 0 HD22 ASN A 7 7.983 1.083 -9.137 1.00 1.00 H new ATOM 112 N VAL A 8 8.045 -3.243 -9.667 1.00 1.00 N ATOM 113 CA VAL A 8 8.103 -4.694 -9.836 1.00 1.00 C ATOM 114 C VAL A 8 7.633 -5.405 -8.536 1.00 1.00 C ATOM 115 O VAL A 8 6.551 -5.135 -8.016 1.00 1.00 O ATOM 116 CB VAL A 8 9.565 -5.118 -10.243 1.00 1.00 C ATOM 117 CG1 VAL A 8 9.576 -6.551 -10.857 1.00 1.00 C ATOM 118 CG2 VAL A 8 10.156 -4.115 -11.271 1.00 1.00 C ATOM 0 H VAL A 8 7.592 -2.751 -10.437 1.00 1.00 H new ATOM 0 HA VAL A 8 7.428 -5.001 -10.635 1.00 1.00 H new ATOM 0 HB VAL A 8 10.176 -5.113 -9.341 1.00 1.00 H new ATOM 0 HG11 VAL A 8 10.596 -6.822 -11.130 1.00 1.00 H new ATOM 0 HG12 VAL A 8 9.195 -7.263 -10.125 1.00 1.00 H new ATOM 0 HG13 VAL A 8 8.945 -6.571 -11.745 1.00 1.00 H new ATOM 0 HG21 VAL A 8 11.166 -4.423 -11.541 1.00 1.00 H new ATOM 0 HG22 VAL A 8 9.531 -4.098 -12.164 1.00 1.00 H new ATOM 0 HG23 VAL A 8 10.186 -3.118 -10.831 1.00 1.00 H new ATOM 128 N SER A 9 8.476 -6.300 -8.032 1.00 1.00 N ATOM 129 CA SER A 9 8.167 -7.042 -6.805 1.00 1.00 C ATOM 130 C SER A 9 6.849 -7.823 -6.958 1.00 1.00 C ATOM 131 O SER A 9 5.869 -7.293 -7.483 1.00 1.00 O ATOM 132 CB SER A 9 8.086 -6.070 -5.604 1.00 1.00 C ATOM 133 OG SER A 9 9.286 -5.305 -5.551 1.00 1.00 O ATOM 0 H SER A 9 9.377 -6.532 -8.449 1.00 1.00 H new ATOM 0 HA SER A 9 8.966 -7.760 -6.622 1.00 1.00 H new ATOM 0 HB2 SER A 9 7.223 -5.412 -5.709 1.00 1.00 H new ATOM 0 HB3 SER A 9 7.952 -6.627 -4.676 1.00 1.00 H new ATOM 0 HG SER A 9 9.269 -4.621 -6.253 1.00 1.00 H new ATOM 139 N SER A 10 6.836 -9.070 -6.496 1.00 1.00 N ATOM 140 CA SER A 10 5.635 -9.900 -6.599 1.00 1.00 C ATOM 141 C SER A 10 4.431 -9.189 -5.971 1.00 1.00 C ATOM 142 O SER A 10 3.478 -8.825 -6.661 1.00 1.00 O ATOM 143 CB SER A 10 5.886 -11.235 -5.892 1.00 1.00 C ATOM 144 OG SER A 10 6.989 -11.882 -6.508 1.00 1.00 O ATOM 0 H SER A 10 7.633 -9.526 -6.051 1.00 1.00 H new ATOM 0 HA SER A 10 5.413 -10.078 -7.651 1.00 1.00 H new ATOM 0 HB2 SER A 10 6.089 -11.069 -4.834 1.00 1.00 H new ATOM 0 HB3 SER A 10 4.999 -11.865 -5.951 1.00 1.00 H new ATOM 0 HG SER A 10 7.158 -12.737 -6.060 1.00 1.00 H new ATOM 150 N SER A 11 4.491 -8.991 -4.659 1.00 1.00 N ATOM 151 CA SER A 11 3.413 -8.314 -3.921 1.00 1.00 C ATOM 152 C SER A 11 3.981 -7.550 -2.724 1.00 1.00 C ATOM 153 O SER A 11 5.042 -7.877 -2.189 1.00 1.00 O ATOM 154 CB SER A 11 2.394 -9.352 -3.452 1.00 1.00 C ATOM 155 OG SER A 11 1.837 -9.989 -4.591 1.00 1.00 O ATOM 0 H SER A 11 5.274 -9.288 -4.077 1.00 1.00 H new ATOM 0 HA SER A 11 2.923 -7.597 -4.580 1.00 1.00 H new ATOM 0 HB2 SER A 11 2.873 -10.087 -2.805 1.00 1.00 H new ATOM 0 HB3 SER A 11 1.610 -8.874 -2.865 1.00 1.00 H new ATOM 0 HG SER A 11 1.111 -9.438 -4.952 1.00 1.00 H new ATOM 161 N LEU A 12 3.253 -6.518 -2.314 1.00 1.00 N ATOM 162 CA LEU A 12 3.666 -5.670 -1.167 1.00 1.00 C ATOM 163 C LEU A 12 2.856 -6.047 0.083 1.00 1.00 C ATOM 164 O LEU A 12 1.668 -6.364 0.017 1.00 1.00 O ATOM 165 CB LEU A 12 3.480 -4.159 -1.536 1.00 1.00 C ATOM 166 CG LEU A 12 4.720 -3.596 -2.325 1.00 1.00 C ATOM 167 CD1 LEU A 12 6.017 -3.536 -1.426 1.00 1.00 C ATOM 168 CD2 LEU A 12 4.965 -4.439 -3.623 1.00 1.00 C ATOM 0 H LEU A 12 2.374 -6.237 -2.748 1.00 1.00 H new ATOM 0 HA LEU A 12 4.720 -5.839 -0.945 1.00 1.00 H new ATOM 0 HB2 LEU A 12 2.580 -4.040 -2.139 1.00 1.00 H new ATOM 0 HB3 LEU A 12 3.333 -3.577 -0.626 1.00 1.00 H new ATOM 0 HG LEU A 12 4.493 -2.570 -2.615 1.00 1.00 H new ATOM 0 HD11 LEU A 12 6.848 -3.141 -2.011 1.00 1.00 H new ATOM 0 HD12 LEU A 12 5.836 -2.887 -0.569 1.00 1.00 H new ATOM 0 HD13 LEU A 12 6.264 -4.538 -1.076 1.00 1.00 H new ATOM 0 HD21 LEU A 12 5.825 -4.039 -4.160 1.00 1.00 H new ATOM 0 HD22 LEU A 12 5.157 -5.477 -3.352 1.00 1.00 H new ATOM 0 HD23 LEU A 12 4.083 -4.388 -4.262 1.00 1.00 H new ATOM 180 N ASN A 13 3.534 -6.010 1.226 1.00 1.00 N ATOM 181 CA ASN A 13 2.917 -6.351 2.511 1.00 1.00 C ATOM 182 C ASN A 13 2.219 -5.123 3.081 1.00 1.00 C ATOM 183 O ASN A 13 2.847 -4.255 3.689 1.00 1.00 O ATOM 184 CB ASN A 13 4.028 -6.845 3.465 1.00 1.00 C ATOM 185 CG ASN A 13 5.147 -5.810 3.569 1.00 1.00 C ATOM 186 OD1 ASN A 13 5.126 -4.956 4.456 1.00 1.00 O ATOM 187 ND2 ASN A 13 6.139 -5.838 2.715 1.00 1.00 N ATOM 0 H ASN A 13 4.517 -5.746 1.292 1.00 1.00 H new ATOM 0 HA ASN A 13 2.172 -7.137 2.386 1.00 1.00 H new ATOM 0 HB2 ASN A 13 3.608 -7.035 4.453 1.00 1.00 H new ATOM 0 HB3 ASN A 13 4.432 -7.790 3.103 1.00 1.00 H new ATOM 0 HD21 ASN A 13 6.892 -5.154 2.785 1.00 1.00 H new ATOM 0 HD22 ASN A 13 6.159 -6.544 1.979 1.00 1.00 H new ATOM 194 N VAL A 14 0.904 -5.068 2.897 1.00 1.00 N ATOM 195 CA VAL A 14 0.110 -3.940 3.382 1.00 1.00 C ATOM 196 C VAL A 14 -0.164 -4.139 4.875 1.00 1.00 C ATOM 197 O VAL A 14 -0.503 -5.230 5.334 1.00 1.00 O ATOM 198 CB VAL A 14 -1.227 -3.846 2.584 1.00 1.00 C ATOM 199 CG1 VAL A 14 -0.956 -3.431 1.111 1.00 1.00 C ATOM 200 CG2 VAL A 14 -1.952 -5.210 2.602 1.00 1.00 C ATOM 0 H VAL A 14 0.365 -5.789 2.417 1.00 1.00 H new ATOM 0 HA VAL A 14 0.656 -3.008 3.236 1.00 1.00 H new ATOM 0 HB VAL A 14 -1.855 -3.091 3.058 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -1.901 -3.371 0.570 1.00 1.00 H new ATOM 0 HG12 VAL A 14 -0.464 -2.459 1.092 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -0.313 -4.172 0.637 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -2.884 -5.134 2.042 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -1.315 -5.967 2.145 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -2.169 -5.493 3.632 1.00 1.00 H new ATOM 210 N ARG A 15 0.003 -3.058 5.628 1.00 1.00 N ATOM 211 CA ARG A 15 -0.200 -3.066 7.090 1.00 1.00 C ATOM 212 C ARG A 15 -1.325 -2.120 7.469 1.00 1.00 C ATOM 213 O ARG A 15 -1.984 -1.525 6.615 1.00 1.00 O ATOM 214 CB ARG A 15 1.120 -2.627 7.751 1.00 1.00 C ATOM 215 CG ARG A 15 2.230 -3.708 7.529 1.00 1.00 C ATOM 216 CD ARG A 15 3.632 -3.113 7.779 1.00 1.00 C ATOM 217 NE ARG A 15 4.029 -2.340 6.599 1.00 1.00 N ATOM 218 CZ ARG A 15 5.267 -1.874 6.446 1.00 1.00 C ATOM 219 NH1 ARG A 15 6.162 -2.096 7.370 1.00 1.00 N ATOM 220 NH2 ARG A 15 5.577 -1.203 5.373 1.00 1.00 N ATOM 0 H ARG A 15 0.281 -2.151 5.254 1.00 1.00 H new ATOM 0 HA ARG A 15 -0.477 -4.064 7.430 1.00 1.00 H new ATOM 0 HB2 ARG A 15 1.444 -1.674 7.333 1.00 1.00 H new ATOM 0 HB3 ARG A 15 0.965 -2.471 8.818 1.00 1.00 H new ATOM 0 HG2 ARG A 15 2.063 -4.551 8.200 1.00 1.00 H new ATOM 0 HG3 ARG A 15 2.170 -4.094 6.511 1.00 1.00 H new ATOM 0 HD2 ARG A 15 3.620 -2.475 8.663 1.00 1.00 H new ATOM 0 HD3 ARG A 15 4.352 -3.909 7.970 1.00 1.00 H new ATOM 0 HE ARG A 15 3.337 -2.153 5.874 1.00 1.00 H new ATOM 0 HH11 ARG A 15 5.912 -2.625 8.206 1.00 1.00 H new ATOM 0 HH12 ARG A 15 7.111 -1.741 7.256 1.00 1.00 H new ATOM 0 HH21 ARG A 15 4.873 -1.036 4.654 1.00 1.00 H new ATOM 0 HH22 ARG A 15 6.524 -0.844 5.252 1.00 1.00 H new ATOM 234 N SER A 16 -1.546 -1.993 8.773 1.00 1.00 N ATOM 235 CA SER A 16 -2.613 -1.105 9.277 1.00 1.00 C ATOM 236 C SER A 16 -2.073 0.301 9.508 1.00 1.00 C ATOM 237 O SER A 16 -2.833 1.264 9.572 1.00 1.00 O ATOM 238 CB SER A 16 -3.155 -1.676 10.589 1.00 1.00 C ATOM 239 OG SER A 16 -2.177 -1.512 11.602 1.00 1.00 O ATOM 0 H SER A 16 -1.017 -2.480 9.497 1.00 1.00 H new ATOM 0 HA SER A 16 -3.412 -1.048 8.538 1.00 1.00 H new ATOM 0 HB2 SER A 16 -4.077 -1.166 10.869 1.00 1.00 H new ATOM 0 HB3 SER A 16 -3.399 -2.732 10.468 1.00 1.00 H new ATOM 0 HG SER A 16 -2.517 -1.874 12.447 1.00 1.00 H new ATOM 245 N SER A 17 -0.754 0.407 9.648 1.00 1.00 N ATOM 246 CA SER A 17 -0.102 1.707 9.884 1.00 1.00 C ATOM 247 C SER A 17 1.426 1.543 9.913 1.00 1.00 C ATOM 248 O SER A 17 1.966 0.470 9.646 1.00 1.00 O ATOM 249 CB SER A 17 -0.573 2.299 11.233 1.00 1.00 C ATOM 250 OG SER A 17 -0.304 1.358 12.263 1.00 1.00 O ATOM 0 H SER A 17 -0.112 -0.384 9.604 1.00 1.00 H new ATOM 0 HA SER A 17 -0.376 2.380 9.072 1.00 1.00 H new ATOM 0 HB2 SER A 17 -0.057 3.237 11.435 1.00 1.00 H new ATOM 0 HB3 SER A 17 -1.639 2.523 11.195 1.00 1.00 H new ATOM 0 HG SER A 17 -0.597 1.723 13.124 1.00 1.00 H new ATOM 256 N ALA A 18 2.108 2.629 10.260 1.00 1.00 N ATOM 257 CA ALA A 18 3.591 2.615 10.361 1.00 1.00 C ATOM 258 C ALA A 18 4.082 1.612 11.447 1.00 1.00 C ATOM 259 O ALA A 18 5.227 1.656 11.899 1.00 1.00 O ATOM 260 CB ALA A 18 4.087 4.035 10.690 1.00 1.00 C ATOM 0 H ALA A 18 1.678 3.528 10.477 1.00 1.00 H new ATOM 0 HA ALA A 18 4.000 2.289 9.405 1.00 1.00 H new ATOM 0 HB1 ALA A 18 5.174 4.032 10.766 1.00 1.00 H new ATOM 0 HB2 ALA A 18 3.780 4.720 9.900 1.00 1.00 H new ATOM 0 HB3 ALA A 18 3.658 4.360 11.638 1.00 1.00 H new ATOM 266 N SER A 19 3.187 0.706 11.832 1.00 1.00 N ATOM 267 CA SER A 19 3.484 -0.330 12.846 1.00 1.00 C ATOM 268 C SER A 19 3.782 -1.671 12.161 1.00 1.00 C ATOM 269 O SER A 19 2.875 -2.419 11.798 1.00 1.00 O ATOM 270 CB SER A 19 2.276 -0.473 13.789 1.00 1.00 C ATOM 271 OG SER A 19 2.095 0.745 14.498 1.00 1.00 O ATOM 0 H SER A 19 2.239 0.660 11.459 1.00 1.00 H new ATOM 0 HA SER A 19 4.361 -0.035 13.421 1.00 1.00 H new ATOM 0 HB2 SER A 19 1.379 -0.713 13.218 1.00 1.00 H new ATOM 0 HB3 SER A 19 2.439 -1.294 14.487 1.00 1.00 H new ATOM 0 HG SER A 19 1.326 0.662 15.100 1.00 1.00 H new ATOM 277 N THR A 20 5.068 -1.962 12.000 1.00 1.00 N ATOM 278 CA THR A 20 5.505 -3.215 11.361 1.00 1.00 C ATOM 279 C THR A 20 5.079 -4.419 12.212 1.00 1.00 C ATOM 280 O THR A 20 5.289 -5.571 11.830 1.00 1.00 O ATOM 281 CB THR A 20 7.045 -3.194 11.132 1.00 1.00 C ATOM 282 OG1 THR A 20 7.420 -1.890 10.714 1.00 1.00 O ATOM 283 CG2 THR A 20 7.469 -4.206 10.038 1.00 1.00 C ATOM 0 H THR A 20 5.831 -1.354 12.300 1.00 1.00 H new ATOM 0 HA THR A 20 5.025 -3.307 10.387 1.00 1.00 H new ATOM 0 HB THR A 20 7.538 -3.469 12.064 1.00 1.00 H new ATOM 0 HG1 THR A 20 8.388 -1.859 10.567 1.00 1.00 H new ATOM 0 HG21 THR A 20 8.550 -4.165 9.904 1.00 1.00 H new ATOM 0 HG22 THR A 20 7.179 -5.212 10.341 1.00 1.00 H new ATOM 0 HG23 THR A 20 6.977 -3.954 9.099 1.00 1.00 H new ATOM 291 N SER A 21 4.496 -4.135 13.374 1.00 1.00 N ATOM 292 CA SER A 21 4.035 -5.181 14.303 1.00 1.00 C ATOM 293 C SER A 21 2.542 -5.431 14.135 1.00 1.00 C ATOM 294 O SER A 21 1.991 -6.329 14.772 1.00 1.00 O ATOM 295 CB SER A 21 4.325 -4.738 15.742 1.00 1.00 C ATOM 296 OG SER A 21 3.495 -3.633 16.067 1.00 1.00 O ATOM 0 H SER A 21 4.328 -3.184 13.703 1.00 1.00 H new ATOM 0 HA SER A 21 4.566 -6.108 14.084 1.00 1.00 H new ATOM 0 HB2 SER A 21 4.142 -5.561 16.432 1.00 1.00 H new ATOM 0 HB3 SER A 21 5.375 -4.463 15.846 1.00 1.00 H new ATOM 0 HG SER A 21 3.676 -3.347 16.987 1.00 1.00 H new ATOM 302 N SER A 22 1.896 -4.655 13.273 1.00 1.00 N ATOM 303 CA SER A 22 0.456 -4.803 13.008 1.00 1.00 C ATOM 304 C SER A 22 0.215 -5.992 12.097 1.00 1.00 C ATOM 305 O SER A 22 -0.929 -6.358 11.831 1.00 1.00 O ATOM 306 CB SER A 22 -0.092 -3.538 12.343 1.00 1.00 C ATOM 307 OG SER A 22 0.611 -3.317 11.129 1.00 1.00 O ATOM 0 H SER A 22 2.343 -3.910 12.739 1.00 1.00 H new ATOM 0 HA SER A 22 -0.056 -4.962 13.957 1.00 1.00 H new ATOM 0 HB2 SER A 22 -1.159 -3.647 12.147 1.00 1.00 H new ATOM 0 HB3 SER A 22 0.024 -2.682 13.008 1.00 1.00 H new ATOM 0 HG SER A 22 1.305 -2.640 11.272 1.00 1.00 H new ATOM 313 N LYS A 23 1.298 -6.604 11.629 1.00 1.00 N ATOM 314 CA LYS A 23 1.215 -7.768 10.748 1.00 1.00 C ATOM 315 C LYS A 23 0.598 -7.370 9.404 1.00 1.00 C ATOM 316 O LYS A 23 0.524 -6.189 9.063 1.00 1.00 O ATOM 317 CB LYS A 23 0.376 -8.907 11.431 1.00 1.00 C ATOM 318 CG LYS A 23 0.973 -10.307 11.145 1.00 1.00 C ATOM 319 CD LYS A 23 0.152 -11.393 11.869 1.00 1.00 C ATOM 320 CE LYS A 23 0.743 -12.780 11.581 1.00 1.00 C ATOM 321 NZ LYS A 23 -0.070 -13.800 12.281 1.00 1.00 N ATOM 0 H LYS A 23 2.251 -6.312 11.846 1.00 1.00 H new ATOM 0 HA LYS A 23 2.221 -8.146 10.565 1.00 1.00 H new ATOM 0 HB2 LYS A 23 0.342 -8.739 12.507 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -0.652 -8.869 11.070 1.00 1.00 H new ATOM 0 HG2 LYS A 23 0.975 -10.497 10.072 1.00 1.00 H new ATOM 0 HG3 LYS A 23 2.011 -10.343 11.477 1.00 1.00 H new ATOM 0 HD2 LYS A 23 0.152 -11.205 12.943 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -0.886 -11.356 11.539 1.00 1.00 H new ATOM 0 HE2 LYS A 23 0.748 -12.973 10.508 1.00 1.00 H new ATOM 0 HE3 LYS A 23 1.779 -12.826 11.918 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 0.322 -14.745 12.093 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -0.053 -13.615 13.304 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -1.051 -13.757 11.938 1.00 1.00 H new ATOM 335 N VAL A 24 0.151 -8.370 8.652 1.00 1.00 N ATOM 336 CA VAL A 24 -0.473 -8.153 7.337 1.00 1.00 C ATOM 337 C VAL A 24 -1.987 -8.080 7.504 1.00 1.00 C ATOM 338 O VAL A 24 -2.563 -8.559 8.481 1.00 1.00 O ATOM 339 CB VAL A 24 -0.090 -9.300 6.354 1.00 1.00 C ATOM 340 CG1 VAL A 24 -0.602 -8.994 4.909 1.00 1.00 C ATOM 341 CG2 VAL A 24 1.450 -9.477 6.340 1.00 1.00 C ATOM 0 H VAL A 24 0.207 -9.350 8.928 1.00 1.00 H new ATOM 0 HA VAL A 24 -0.110 -7.214 6.919 1.00 1.00 H new ATOM 0 HB VAL A 24 -0.563 -10.221 6.695 1.00 1.00 H new ATOM 0 HG11 VAL A 24 -0.321 -9.810 4.243 1.00 1.00 H new ATOM 0 HG12 VAL A 24 -1.687 -8.893 4.921 1.00 1.00 H new ATOM 0 HG13 VAL A 24 -0.155 -8.066 4.554 1.00 1.00 H new ATOM 0 HG21 VAL A 24 1.718 -10.279 5.652 1.00 1.00 H new ATOM 0 HG22 VAL A 24 1.920 -8.549 6.015 1.00 1.00 H new ATOM 0 HG23 VAL A 24 1.797 -9.728 7.343 1.00 1.00 H new ATOM 351 N ILE A 25 -2.628 -7.453 6.522 1.00 1.00 N ATOM 352 CA ILE A 25 -4.099 -7.299 6.536 1.00 1.00 C ATOM 353 C ILE A 25 -4.676 -7.560 5.150 1.00 1.00 C ATOM 354 O ILE A 25 -5.868 -7.833 5.006 1.00 1.00 O ATOM 355 CB ILE A 25 -4.459 -5.869 7.033 1.00 1.00 C ATOM 356 CG1 ILE A 25 -3.837 -4.795 6.082 1.00 1.00 C ATOM 357 CG2 ILE A 25 -3.928 -5.669 8.483 1.00 1.00 C ATOM 358 CD1 ILE A 25 -4.320 -3.390 6.446 1.00 1.00 C ATOM 0 H ILE A 25 -2.167 -7.043 5.709 1.00 1.00 H new ATOM 0 HA ILE A 25 -4.536 -8.030 7.217 1.00 1.00 H new ATOM 0 HB ILE A 25 -5.543 -5.753 7.029 1.00 1.00 H new ATOM 0 HG12 ILE A 25 -2.750 -4.836 6.144 1.00 1.00 H new ATOM 0 HG13 ILE A 25 -4.106 -5.019 5.050 1.00 1.00 H new ATOM 0 HG21 ILE A 25 -4.182 -4.667 8.828 1.00 1.00 H new ATOM 0 HG22 ILE A 25 -4.385 -6.407 9.143 1.00 1.00 H new ATOM 0 HG23 ILE A 25 -2.845 -5.794 8.494 1.00 1.00 H new ATOM 0 HD11 ILE A 25 -3.871 -2.664 5.768 1.00 1.00 H new ATOM 0 HD12 ILE A 25 -5.406 -3.345 6.359 1.00 1.00 H new ATOM 0 HD13 ILE A 25 -4.028 -3.159 7.470 1.00 1.00 H new ATOM 370 N GLY A 26 -3.830 -7.450 4.129 1.00 1.00 N ATOM 371 CA GLY A 26 -4.268 -7.665 2.747 1.00 1.00 C ATOM 372 C GLY A 26 -3.087 -8.004 1.857 1.00 1.00 C ATOM 373 O GLY A 26 -2.069 -8.527 2.309 1.00 1.00 O ATOM 0 H GLY A 26 -2.842 -7.215 4.228 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -4.999 -8.473 2.713 1.00 1.00 H new ATOM 0 HA3 GLY A 26 -4.765 -6.770 2.374 1.00 1.00 H new ATOM 377 N SER A 27 -3.234 -7.696 0.573 1.00 1.00 N ATOM 378 CA SER A 27 -2.170 -7.960 -0.401 1.00 1.00 C ATOM 379 C SER A 27 -2.352 -7.089 -1.632 1.00 1.00 C ATOM 380 O SER A 27 -3.472 -6.749 -2.016 1.00 1.00 O ATOM 381 CB SER A 27 -2.192 -9.429 -0.810 1.00 1.00 C ATOM 382 OG SER A 27 -3.396 -9.688 -1.517 1.00 1.00 O ATOM 0 H SER A 27 -4.071 -7.266 0.180 1.00 1.00 H new ATOM 0 HA SER A 27 -1.211 -7.726 0.061 1.00 1.00 H new ATOM 0 HB2 SER A 27 -1.330 -9.660 -1.435 1.00 1.00 H new ATOM 0 HB3 SER A 27 -2.127 -10.067 0.071 1.00 1.00 H new ATOM 0 HG SER A 27 -3.421 -10.630 -1.787 1.00 1.00 H new ATOM 388 N LEU A 28 -1.235 -6.730 -2.252 1.00 1.00 N ATOM 389 CA LEU A 28 -1.252 -5.886 -3.469 1.00 1.00 C ATOM 390 C LEU A 28 -0.554 -6.608 -4.627 1.00 1.00 C ATOM 391 O LEU A 28 0.304 -7.468 -4.428 1.00 1.00 O ATOM 392 CB LEU A 28 -0.553 -4.514 -3.176 1.00 1.00 C ATOM 393 CG LEU A 28 -1.061 -3.377 -4.152 1.00 1.00 C ATOM 394 CD1 LEU A 28 -2.370 -2.729 -3.621 1.00 1.00 C ATOM 395 CD2 LEU A 28 0.018 -2.275 -4.335 1.00 1.00 C ATOM 0 H LEU A 28 -0.302 -7.003 -1.943 1.00 1.00 H new ATOM 0 HA LEU A 28 -2.287 -5.698 -3.756 1.00 1.00 H new ATOM 0 HB2 LEU A 28 -0.746 -4.221 -2.144 1.00 1.00 H new ATOM 0 HB3 LEU A 28 0.526 -4.626 -3.279 1.00 1.00 H new ATOM 0 HG LEU A 28 -1.260 -3.845 -5.116 1.00 1.00 H new ATOM 0 HD11 LEU A 28 -2.697 -1.951 -4.311 1.00 1.00 H new ATOM 0 HD12 LEU A 28 -3.146 -3.490 -3.539 1.00 1.00 H new ATOM 0 HD13 LEU A 28 -2.187 -2.290 -2.640 1.00 1.00 H new ATOM 0 HD21 LEU A 28 -0.358 -1.506 -5.010 1.00 1.00 H new ATOM 0 HD22 LEU A 28 0.248 -1.827 -3.368 1.00 1.00 H new ATOM 0 HD23 LEU A 28 0.922 -2.717 -4.755 1.00 1.00 H new ATOM 407 N SER A 29 -0.942 -6.241 -5.844 1.00 1.00 N ATOM 408 CA SER A 29 -0.366 -6.834 -7.068 1.00 1.00 C ATOM 409 C SER A 29 0.629 -5.866 -7.707 1.00 1.00 C ATOM 410 O SER A 29 0.603 -4.660 -7.458 1.00 1.00 O ATOM 411 CB SER A 29 -1.499 -7.151 -8.057 1.00 1.00 C ATOM 412 OG SER A 29 -2.147 -5.946 -8.433 1.00 1.00 O ATOM 0 H SER A 29 -1.655 -5.533 -6.020 1.00 1.00 H new ATOM 0 HA SER A 29 0.162 -7.752 -6.810 1.00 1.00 H new ATOM 0 HB2 SER A 29 -1.098 -7.651 -8.938 1.00 1.00 H new ATOM 0 HB3 SER A 29 -2.215 -7.835 -7.600 1.00 1.00 H new ATOM 0 HG SER A 29 -1.561 -5.430 -9.025 1.00 1.00 H new ATOM 418 N GLY A 30 1.503 -6.414 -8.544 1.00 1.00 N ATOM 419 CA GLY A 30 2.517 -5.589 -9.230 1.00 1.00 C ATOM 420 C GLY A 30 1.903 -4.873 -10.427 1.00 1.00 C ATOM 421 O GLY A 30 0.789 -5.185 -10.847 1.00 1.00 O ATOM 0 H GLY A 30 1.539 -7.408 -8.768 1.00 1.00 H new ATOM 0 HA2 GLY A 30 2.931 -4.858 -8.535 1.00 1.00 H new ATOM 0 HA3 GLY A 30 3.343 -6.218 -9.560 1.00 1.00 H new ATOM 425 N ASN A 31 2.643 -3.916 -10.978 1.00 1.00 N ATOM 426 CA ASN A 31 2.165 -3.145 -12.143 1.00 1.00 C ATOM 427 C ASN A 31 0.825 -2.478 -11.838 1.00 1.00 C ATOM 428 O ASN A 31 0.077 -2.117 -12.746 1.00 1.00 O ATOM 429 CB ASN A 31 2.019 -4.069 -13.371 1.00 1.00 C ATOM 430 CG ASN A 31 3.323 -4.816 -13.614 1.00 1.00 C ATOM 431 OD1 ASN A 31 4.399 -4.227 -13.527 1.00 1.00 O ATOM 432 ND2 ASN A 31 3.292 -6.087 -13.906 1.00 1.00 N ATOM 0 H ASN A 31 3.570 -3.650 -10.647 1.00 1.00 H new ATOM 0 HA ASN A 31 2.899 -2.370 -12.362 1.00 1.00 H new ATOM 0 HB2 ASN A 31 1.208 -4.779 -13.209 1.00 1.00 H new ATOM 0 HB3 ASN A 31 1.757 -3.481 -14.251 1.00 1.00 H new ATOM 0 HD21 ASN A 31 4.162 -6.596 -14.063 1.00 1.00 H new ATOM 0 HD22 ASN A 31 2.398 -6.572 -13.977 1.00 1.00 H new ATOM 439 N THR A 32 0.532 -2.317 -10.552 1.00 1.00 N ATOM 440 CA THR A 32 -0.726 -1.690 -10.112 1.00 1.00 C ATOM 441 C THR A 32 -0.534 -0.192 -9.976 1.00 1.00 C ATOM 442 O THR A 32 0.559 0.290 -9.683 1.00 1.00 O ATOM 443 CB THR A 32 -1.195 -2.286 -8.762 1.00 1.00 C ATOM 444 OG1 THR A 32 -1.236 -3.695 -8.882 1.00 1.00 O ATOM 445 CG2 THR A 32 -2.607 -1.773 -8.386 1.00 1.00 C ATOM 0 H THR A 32 1.144 -2.609 -9.790 1.00 1.00 H new ATOM 0 HA THR A 32 -1.492 -1.890 -10.861 1.00 1.00 H new ATOM 0 HB THR A 32 -0.498 -1.980 -7.982 1.00 1.00 H new ATOM 0 HG1 THR A 32 -1.972 -4.048 -8.340 1.00 1.00 H new ATOM 0 HG21 THR A 32 -2.910 -2.208 -7.434 1.00 1.00 H new ATOM 0 HG22 THR A 32 -2.588 -0.687 -8.299 1.00 1.00 H new ATOM 0 HG23 THR A 32 -3.318 -2.063 -9.160 1.00 1.00 H new ATOM 453 N LYS A 33 -1.618 0.547 -10.192 1.00 1.00 N ATOM 454 CA LYS A 33 -1.598 2.011 -10.100 1.00 1.00 C ATOM 455 C LYS A 33 -2.234 2.467 -8.791 1.00 1.00 C ATOM 456 O LYS A 33 -3.119 1.808 -8.245 1.00 1.00 O ATOM 457 CB LYS A 33 -2.336 2.633 -11.310 1.00 1.00 C ATOM 458 CG LYS A 33 -1.940 4.121 -11.471 1.00 1.00 C ATOM 459 CD LYS A 33 -2.625 4.739 -12.703 1.00 1.00 C ATOM 460 CE LYS A 33 -2.197 6.209 -12.848 1.00 1.00 C ATOM 461 NZ LYS A 33 -0.716 6.266 -13.031 1.00 1.00 N ATOM 0 H LYS A 33 -2.529 0.157 -10.434 1.00 1.00 H new ATOM 0 HA LYS A 33 -0.562 2.350 -10.116 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -2.089 2.083 -12.218 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -3.414 2.549 -11.170 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -2.222 4.676 -10.576 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -0.858 4.205 -11.571 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -2.355 4.181 -13.600 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -3.708 4.673 -12.601 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -2.700 6.666 -13.700 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -2.490 6.776 -11.964 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -0.287 6.778 -12.234 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -0.333 5.300 -13.068 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -0.495 6.760 -13.919 1.00 1.00 H new ATOM 475 N VAL A 34 -1.773 3.611 -8.294 1.00 1.00 N ATOM 476 CA VAL A 34 -2.296 4.171 -7.055 1.00 1.00 C ATOM 477 C VAL A 34 -2.032 5.671 -7.013 1.00 1.00 C ATOM 478 O VAL A 34 -0.997 6.146 -7.479 1.00 1.00 O ATOM 479 CB VAL A 34 -1.635 3.460 -5.844 1.00 1.00 C ATOM 480 CG1 VAL A 34 -0.094 3.553 -5.931 1.00 1.00 C ATOM 481 CG2 VAL A 34 -2.133 4.078 -4.509 1.00 1.00 C ATOM 0 H VAL A 34 -1.038 4.167 -8.731 1.00 1.00 H new ATOM 0 HA VAL A 34 -3.373 4.011 -7.007 1.00 1.00 H new ATOM 0 HB VAL A 34 -1.922 2.409 -5.870 1.00 1.00 H new ATOM 0 HG11 VAL A 34 0.350 3.049 -5.073 1.00 1.00 H new ATOM 0 HG12 VAL A 34 0.248 3.076 -6.849 1.00 1.00 H new ATOM 0 HG13 VAL A 34 0.208 4.600 -5.932 1.00 1.00 H new ATOM 0 HG21 VAL A 34 -1.658 3.566 -3.672 1.00 1.00 H new ATOM 0 HG22 VAL A 34 -1.876 5.137 -4.480 1.00 1.00 H new ATOM 0 HG23 VAL A 34 -3.215 3.965 -4.437 1.00 1.00 H new ATOM 491 N THR A 35 -2.964 6.409 -6.417 1.00 1.00 N ATOM 492 CA THR A 35 -2.815 7.876 -6.280 1.00 1.00 C ATOM 493 C THR A 35 -2.482 8.217 -4.840 1.00 1.00 C ATOM 494 O THR A 35 -3.352 8.171 -3.970 1.00 1.00 O ATOM 495 CB THR A 35 -4.119 8.594 -6.706 1.00 1.00 C ATOM 496 OG1 THR A 35 -4.421 8.231 -8.042 1.00 1.00 O ATOM 497 CG2 THR A 35 -3.960 10.140 -6.622 1.00 1.00 C ATOM 0 H THR A 35 -3.825 6.032 -6.021 1.00 1.00 H new ATOM 0 HA THR A 35 -2.007 8.213 -6.930 1.00 1.00 H new ATOM 0 HB THR A 35 -4.922 8.294 -6.032 1.00 1.00 H new ATOM 0 HG1 THR A 35 -5.246 8.678 -8.324 1.00 1.00 H new ATOM 0 HG21 THR A 35 -4.891 10.619 -6.927 1.00 1.00 H new ATOM 0 HG22 THR A 35 -3.723 10.426 -5.597 1.00 1.00 H new ATOM 0 HG23 THR A 35 -3.154 10.459 -7.283 1.00 1.00 H new ATOM 505 N ILE A 36 -1.229 8.584 -4.592 1.00 1.00 N ATOM 506 CA ILE A 36 -0.790 8.956 -3.225 1.00 1.00 C ATOM 507 C ILE A 36 -1.851 9.845 -2.516 1.00 1.00 C ATOM 508 O ILE A 36 -2.390 10.768 -3.126 1.00 1.00 O ATOM 509 CB ILE A 36 0.577 9.705 -3.303 1.00 1.00 C ATOM 510 CG1 ILE A 36 1.568 8.970 -4.267 1.00 1.00 C ATOM 511 CG2 ILE A 36 1.196 9.814 -1.901 1.00 1.00 C ATOM 512 CD1 ILE A 36 1.673 7.456 -4.005 1.00 1.00 C ATOM 0 H ILE A 36 -0.497 8.636 -5.301 1.00 1.00 H new ATOM 0 HA ILE A 36 -0.674 8.045 -2.638 1.00 1.00 H new ATOM 0 HB ILE A 36 0.395 10.705 -3.698 1.00 1.00 H new ATOM 0 HG12 ILE A 36 1.247 9.131 -5.296 1.00 1.00 H new ATOM 0 HG13 ILE A 36 2.557 9.417 -4.168 1.00 1.00 H new ATOM 0 HG21 ILE A 36 2.150 10.338 -1.964 1.00 1.00 H new ATOM 0 HG22 ILE A 36 0.521 10.366 -1.247 1.00 1.00 H new ATOM 0 HG23 ILE A 36 1.357 8.815 -1.496 1.00 1.00 H new ATOM 0 HD11 ILE A 36 2.377 7.013 -4.710 1.00 1.00 H new ATOM 0 HD12 ILE A 36 2.023 7.286 -2.987 1.00 1.00 H new ATOM 0 HD13 ILE A 36 0.693 6.996 -4.133 1.00 1.00 H new ATOM 524 N VAL A 37 -2.146 9.540 -1.257 1.00 1.00 N ATOM 525 CA VAL A 37 -3.169 10.282 -0.486 1.00 1.00 C ATOM 526 C VAL A 37 -2.954 10.081 1.036 1.00 1.00 C ATOM 527 O VAL A 37 -3.497 9.167 1.656 1.00 1.00 O ATOM 528 CB VAL A 37 -4.613 9.810 -0.902 1.00 1.00 C ATOM 529 CG1 VAL A 37 -5.079 10.431 -2.276 1.00 1.00 C ATOM 530 CG2 VAL A 37 -4.652 8.252 -0.975 1.00 1.00 C ATOM 0 H VAL A 37 -1.697 8.785 -0.738 1.00 1.00 H new ATOM 0 HA VAL A 37 -3.070 11.344 -0.711 1.00 1.00 H new ATOM 0 HB VAL A 37 -5.308 10.166 -0.141 1.00 1.00 H new ATOM 0 HG11 VAL A 37 -6.080 10.073 -2.516 1.00 1.00 H new ATOM 0 HG12 VAL A 37 -5.091 11.518 -2.199 1.00 1.00 H new ATOM 0 HG13 VAL A 37 -4.388 10.131 -3.064 1.00 1.00 H new ATOM 0 HG21 VAL A 37 -5.652 7.926 -1.263 1.00 1.00 H new ATOM 0 HG22 VAL A 37 -3.930 7.904 -1.714 1.00 1.00 H new ATOM 0 HG23 VAL A 37 -4.402 7.836 0.001 1.00 1.00 H new ATOM 540 N GLY A 38 -2.160 10.976 1.617 1.00 1.00 N ATOM 541 CA GLY A 38 -1.861 10.944 3.067 1.00 1.00 C ATOM 542 C GLY A 38 -0.414 10.532 3.313 1.00 1.00 C ATOM 543 O GLY A 38 -0.004 9.409 3.022 1.00 1.00 O ATOM 0 H GLY A 38 -1.706 11.739 1.115 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -2.043 11.927 3.502 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -2.533 10.245 3.566 1.00 1.00 H new ATOM 547 N GLU A 39 0.356 11.463 3.867 1.00 1.00 N ATOM 548 CA GLU A 39 1.790 11.228 4.146 1.00 1.00 C ATOM 549 C GLU A 39 1.982 11.013 5.643 1.00 1.00 C ATOM 550 O GLU A 39 1.468 11.771 6.464 1.00 1.00 O ATOM 551 CB GLU A 39 2.617 12.475 3.673 1.00 1.00 C ATOM 552 CG GLU A 39 2.482 13.713 4.608 1.00 1.00 C ATOM 553 CD GLU A 39 1.010 14.064 4.803 1.00 1.00 C ATOM 554 OE1 GLU A 39 0.328 14.205 3.801 1.00 1.00 O ATOM 555 OE2 GLU A 39 0.585 14.170 5.941 1.00 1.00 O ATOM 0 H GLU A 39 0.023 12.389 4.135 1.00 1.00 H new ATOM 0 HA GLU A 39 2.134 10.343 3.610 1.00 1.00 H new ATOM 0 HB2 GLU A 39 3.669 12.197 3.605 1.00 1.00 H new ATOM 0 HB3 GLU A 39 2.295 12.753 2.669 1.00 1.00 H new ATOM 0 HG2 GLU A 39 2.945 13.503 5.572 1.00 1.00 H new ATOM 0 HG3 GLU A 39 3.013 14.563 4.178 1.00 1.00 H new ATOM 562 N GLU A 40 2.730 9.970 5.987 1.00 1.00 N ATOM 563 CA GLU A 40 2.993 9.659 7.391 1.00 1.00 C ATOM 564 C GLU A 40 4.341 8.953 7.523 1.00 1.00 C ATOM 565 O GLU A 40 4.461 7.760 7.245 1.00 1.00 O ATOM 566 CB GLU A 40 1.847 8.775 7.933 1.00 1.00 C ATOM 567 CG GLU A 40 1.994 8.573 9.461 1.00 1.00 C ATOM 568 CD GLU A 40 0.849 7.729 10.025 1.00 1.00 C ATOM 569 OE1 GLU A 40 0.141 7.101 9.252 1.00 1.00 O ATOM 570 OE2 GLU A 40 0.700 7.724 11.237 1.00 1.00 O ATOM 0 H GLU A 40 3.162 9.330 5.321 1.00 1.00 H new ATOM 0 HA GLU A 40 3.036 10.578 7.976 1.00 1.00 H new ATOM 0 HB2 GLU A 40 0.886 9.240 7.712 1.00 1.00 H new ATOM 0 HB3 GLU A 40 1.857 7.808 7.430 1.00 1.00 H new ATOM 0 HG2 GLU A 40 2.946 8.087 9.675 1.00 1.00 H new ATOM 0 HG3 GLU A 40 2.012 9.543 9.958 1.00 1.00 H new ATOM 577 N GLY A 41 5.349 9.698 7.966 1.00 1.00 N ATOM 578 CA GLY A 41 6.690 9.152 8.143 1.00 1.00 C ATOM 579 C GLY A 41 7.223 8.555 6.836 1.00 1.00 C ATOM 580 O GLY A 41 6.876 9.013 5.748 1.00 1.00 O ATOM 0 H GLY A 41 5.262 10.685 8.210 1.00 1.00 H new ATOM 0 HA2 GLY A 41 7.363 9.937 8.488 1.00 1.00 H new ATOM 0 HA3 GLY A 41 6.674 8.384 8.916 1.00 1.00 H new ATOM 584 N ALA A 42 8.059 7.529 6.958 1.00 1.00 N ATOM 585 CA ALA A 42 8.620 6.861 5.766 1.00 1.00 C ATOM 586 C ALA A 42 7.558 5.984 5.094 1.00 1.00 C ATOM 587 O ALA A 42 7.895 5.106 4.300 1.00 1.00 O ATOM 588 CB ALA A 42 9.823 5.981 6.151 1.00 1.00 C ATOM 0 H ALA A 42 8.365 7.140 7.850 1.00 1.00 H new ATOM 0 HA ALA A 42 8.946 7.636 5.073 1.00 1.00 H new ATOM 0 HB1 ALA A 42 10.221 5.498 5.258 1.00 1.00 H new ATOM 0 HB2 ALA A 42 10.597 6.601 6.604 1.00 1.00 H new ATOM 0 HB3 ALA A 42 9.504 5.220 6.863 1.00 1.00 H new ATOM 594 N PHE A 43 6.291 6.221 5.416 1.00 1.00 N ATOM 595 CA PHE A 43 5.169 5.441 4.848 1.00 1.00 C ATOM 596 C PHE A 43 4.061 6.374 4.387 1.00 1.00 C ATOM 597 O PHE A 43 3.942 7.513 4.837 1.00 1.00 O ATOM 598 CB PHE A 43 4.610 4.466 5.910 1.00 1.00 C ATOM 599 CG PHE A 43 5.759 3.620 6.466 1.00 1.00 C ATOM 600 CD1 PHE A 43 6.605 4.167 7.451 1.00 1.00 C ATOM 601 CD2 PHE A 43 6.003 2.311 5.994 1.00 1.00 C ATOM 602 CE1 PHE A 43 7.668 3.417 7.966 1.00 1.00 C ATOM 603 CE2 PHE A 43 7.076 1.567 6.514 1.00 1.00 C ATOM 604 CZ PHE A 43 7.904 2.121 7.499 1.00 1.00 C ATOM 0 H PHE A 43 6.002 6.949 6.070 1.00 1.00 H new ATOM 0 HA PHE A 43 5.539 4.873 3.994 1.00 1.00 H new ATOM 0 HB2 PHE A 43 4.128 5.022 6.715 1.00 1.00 H new ATOM 0 HB3 PHE A 43 3.849 3.823 5.467 1.00 1.00 H new ATOM 0 HD1 PHE A 43 6.432 5.171 7.810 1.00 1.00 H new ATOM 0 HD2 PHE A 43 5.366 1.883 5.235 1.00 1.00 H new ATOM 0 HE1 PHE A 43 8.308 3.841 8.726 1.00 1.00 H new ATOM 0 HE2 PHE A 43 7.263 0.566 6.154 1.00 1.00 H new ATOM 0 HZ PHE A 43 8.726 1.546 7.898 1.00 1.00 H new ATOM 614 N TYR A 44 3.237 5.863 3.478 1.00 1.00 N ATOM 615 CA TYR A 44 2.099 6.611 2.917 1.00 1.00 C ATOM 616 C TYR A 44 0.829 5.800 3.063 1.00 1.00 C ATOM 617 O TYR A 44 0.836 4.599 3.330 1.00 1.00 O ATOM 618 CB TYR A 44 2.379 6.960 1.417 1.00 1.00 C ATOM 619 CG TYR A 44 2.861 8.411 1.314 1.00 1.00 C ATOM 620 CD1 TYR A 44 4.198 8.741 1.572 1.00 1.00 C ATOM 621 CD2 TYR A 44 1.954 9.428 0.979 1.00 1.00 C ATOM 622 CE1 TYR A 44 4.617 10.073 1.472 1.00 1.00 C ATOM 623 CE2 TYR A 44 2.381 10.744 0.879 1.00 1.00 C ATOM 624 CZ TYR A 44 3.711 11.064 1.118 1.00 1.00 C ATOM 625 OH TYR A 44 4.135 12.367 1.009 1.00 1.00 O ATOM 0 H TYR A 44 3.333 4.919 3.104 1.00 1.00 H new ATOM 0 HA TYR A 44 1.971 7.545 3.464 1.00 1.00 H new ATOM 0 HB2 TYR A 44 3.132 6.285 1.009 1.00 1.00 H new ATOM 0 HB3 TYR A 44 1.474 6.823 0.825 1.00 1.00 H new ATOM 0 HD1 TYR A 44 4.903 7.970 1.847 1.00 1.00 H new ATOM 0 HD2 TYR A 44 0.917 9.185 0.798 1.00 1.00 H new ATOM 0 HE1 TYR A 44 5.647 10.330 1.671 1.00 1.00 H new ATOM 0 HE2 TYR A 44 1.678 11.521 0.615 1.00 1.00 H new ATOM 0 HH TYR A 44 3.380 12.936 0.753 1.00 1.00 H new ATOM 635 N LYS A 45 -0.292 6.493 2.877 1.00 1.00 N ATOM 636 CA LYS A 45 -1.614 5.863 2.987 1.00 1.00 C ATOM 637 C LYS A 45 -2.241 5.724 1.607 1.00 1.00 C ATOM 638 O LYS A 45 -2.308 6.672 0.823 1.00 1.00 O ATOM 639 CB LYS A 45 -2.518 6.717 3.895 1.00 1.00 C ATOM 640 CG LYS A 45 -3.862 5.981 4.170 1.00 1.00 C ATOM 641 CD LYS A 45 -4.750 6.766 5.167 1.00 1.00 C ATOM 642 CE LYS A 45 -5.253 8.102 4.563 1.00 1.00 C ATOM 643 NZ LYS A 45 -5.828 7.852 3.211 1.00 1.00 N ATOM 0 H LYS A 45 -0.316 7.487 2.650 1.00 1.00 H new ATOM 0 HA LYS A 45 -1.504 4.870 3.423 1.00 1.00 H new ATOM 0 HB2 LYS A 45 -2.009 6.922 4.837 1.00 1.00 H new ATOM 0 HB3 LYS A 45 -2.713 7.680 3.423 1.00 1.00 H new ATOM 0 HG2 LYS A 45 -4.401 5.844 3.232 1.00 1.00 H new ATOM 0 HG3 LYS A 45 -3.658 4.987 4.568 1.00 1.00 H new ATOM 0 HD2 LYS A 45 -5.604 6.153 5.454 1.00 1.00 H new ATOM 0 HD3 LYS A 45 -4.184 6.969 6.076 1.00 1.00 H new ATOM 0 HE2 LYS A 45 -6.006 8.547 5.213 1.00 1.00 H new ATOM 0 HE3 LYS A 45 -4.431 8.814 4.494 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 -6.590 8.535 3.026 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 -5.084 7.960 2.492 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 -6.211 6.886 3.170 1.00 1.00 H new ATOM 657 N ILE A 46 -2.702 4.512 1.317 1.00 1.00 N ATOM 658 CA ILE A 46 -3.347 4.204 0.036 1.00 1.00 C ATOM 659 C ILE A 46 -4.755 3.669 0.275 1.00 1.00 C ATOM 660 O ILE A 46 -5.160 3.360 1.396 1.00 1.00 O ATOM 661 CB ILE A 46 -2.477 3.184 -0.745 1.00 1.00 C ATOM 662 CG1 ILE A 46 -2.282 1.881 0.093 1.00 1.00 C ATOM 663 CG2 ILE A 46 -1.098 3.828 -1.061 1.00 1.00 C ATOM 664 CD1 ILE A 46 -1.611 0.783 -0.739 1.00 1.00 C ATOM 0 H ILE A 46 -2.642 3.718 1.954 1.00 1.00 H new ATOM 0 HA ILE A 46 -3.435 5.111 -0.562 1.00 1.00 H new ATOM 0 HB ILE A 46 -2.979 2.920 -1.676 1.00 1.00 H new ATOM 0 HG12 ILE A 46 -1.674 2.098 0.972 1.00 1.00 H new ATOM 0 HG13 ILE A 46 -3.249 1.529 0.453 1.00 1.00 H new ATOM 0 HG21 ILE A 46 -0.481 3.116 -1.610 1.00 1.00 H new ATOM 0 HG22 ILE A 46 -1.244 4.723 -1.665 1.00 1.00 H new ATOM 0 HG23 ILE A 46 -0.600 4.097 -0.129 1.00 1.00 H new ATOM 0 HD11 ILE A 46 -1.488 -0.112 -0.129 1.00 1.00 H new ATOM 0 HD12 ILE A 46 -2.233 0.550 -1.604 1.00 1.00 H new ATOM 0 HD13 ILE A 46 -0.634 1.128 -1.077 1.00 1.00 H new ATOM 676 N GLU A 47 -5.499 3.555 -0.820 1.00 1.00 N ATOM 677 CA GLU A 47 -6.897 3.064 -0.779 1.00 1.00 C ATOM 678 C GLU A 47 -7.095 1.979 -1.836 1.00 1.00 C ATOM 679 O GLU A 47 -7.253 2.275 -3.022 1.00 1.00 O ATOM 680 CB GLU A 47 -7.880 4.256 -1.016 1.00 1.00 C ATOM 681 CG GLU A 47 -7.353 5.201 -2.128 1.00 1.00 C ATOM 682 CD GLU A 47 -8.382 6.291 -2.431 1.00 1.00 C ATOM 683 OE1 GLU A 47 -9.016 6.752 -1.497 1.00 1.00 O ATOM 684 OE2 GLU A 47 -8.521 6.645 -3.590 1.00 1.00 O ATOM 0 H GLU A 47 -5.168 3.793 -1.755 1.00 1.00 H new ATOM 0 HA GLU A 47 -7.105 2.633 0.200 1.00 1.00 H new ATOM 0 HB2 GLU A 47 -8.861 3.872 -1.295 1.00 1.00 H new ATOM 0 HB3 GLU A 47 -8.008 4.816 -0.089 1.00 1.00 H new ATOM 0 HG2 GLU A 47 -6.414 5.656 -1.813 1.00 1.00 H new ATOM 0 HG3 GLU A 47 -7.143 4.629 -3.032 1.00 1.00 H new ATOM 691 N TYR A 48 -7.104 0.725 -1.398 1.00 1.00 N ATOM 692 CA TYR A 48 -7.295 -0.415 -2.307 1.00 1.00 C ATOM 693 C TYR A 48 -8.213 -1.442 -1.661 1.00 1.00 C ATOM 694 O TYR A 48 -8.380 -1.477 -0.441 1.00 1.00 O ATOM 695 CB TYR A 48 -5.888 -1.036 -2.685 1.00 1.00 C ATOM 696 CG TYR A 48 -5.759 -1.163 -4.217 1.00 1.00 C ATOM 697 CD1 TYR A 48 -5.330 -0.058 -4.975 1.00 1.00 C ATOM 698 CD2 TYR A 48 -6.120 -2.354 -4.877 1.00 1.00 C ATOM 699 CE1 TYR A 48 -5.255 -0.146 -6.365 1.00 1.00 C ATOM 700 CE2 TYR A 48 -6.034 -2.437 -6.272 1.00 1.00 C ATOM 701 CZ TYR A 48 -5.606 -1.334 -7.012 1.00 1.00 C ATOM 702 OH TYR A 48 -5.541 -1.410 -8.383 1.00 1.00 O ATOM 0 H TYR A 48 -6.982 0.465 -0.419 1.00 1.00 H new ATOM 0 HA TYR A 48 -7.771 -0.080 -3.229 1.00 1.00 H new ATOM 0 HB2 TYR A 48 -5.088 -0.407 -2.296 1.00 1.00 H new ATOM 0 HB3 TYR A 48 -5.778 -2.016 -2.220 1.00 1.00 H new ATOM 0 HD1 TYR A 48 -5.058 0.862 -4.479 1.00 1.00 H new ATOM 0 HD2 TYR A 48 -6.464 -3.204 -4.306 1.00 1.00 H new ATOM 0 HE1 TYR A 48 -4.925 0.705 -6.942 1.00 1.00 H new ATOM 0 HE2 TYR A 48 -6.299 -3.355 -6.776 1.00 1.00 H new ATOM 0 HH TYR A 48 -5.817 -2.304 -8.675 1.00 1.00 H new ATOM 712 N LYS A 49 -8.789 -2.301 -2.494 1.00 1.00 N ATOM 713 CA LYS A 49 -9.697 -3.343 -2.025 1.00 1.00 C ATOM 714 C LYS A 49 -10.792 -2.762 -1.101 1.00 1.00 C ATOM 715 O LYS A 49 -11.316 -3.454 -0.227 1.00 1.00 O ATOM 716 CB LYS A 49 -8.884 -4.425 -1.284 1.00 1.00 C ATOM 717 CG LYS A 49 -7.739 -4.984 -2.198 1.00 1.00 C ATOM 718 CD LYS A 49 -7.229 -6.356 -1.687 1.00 1.00 C ATOM 719 CE LYS A 49 -6.671 -6.245 -0.255 1.00 1.00 C ATOM 720 NZ LYS A 49 -6.011 -7.530 0.094 1.00 1.00 N ATOM 0 H LYS A 49 -8.643 -2.297 -3.503 1.00 1.00 H new ATOM 0 HA LYS A 49 -10.199 -3.785 -2.886 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -8.456 -4.005 -0.373 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -9.544 -5.238 -0.981 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -8.104 -5.087 -3.220 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -6.913 -4.274 -2.225 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -8.043 -7.080 -1.708 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -6.453 -6.730 -2.355 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -5.958 -5.423 -0.189 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -7.474 -6.028 0.449 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -5.764 -7.530 1.104 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -6.660 -8.318 -0.104 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -5.147 -7.642 -0.474 1.00 1.00 H new ATOM 734 N GLY A 50 -11.103 -1.485 -1.296 1.00 1.00 N ATOM 735 CA GLY A 50 -12.121 -0.803 -0.476 1.00 1.00 C ATOM 736 C GLY A 50 -11.641 -0.668 0.968 1.00 1.00 C ATOM 737 O GLY A 50 -12.387 -0.239 1.850 1.00 1.00 O ATOM 0 H GLY A 50 -10.672 -0.896 -2.009 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -12.329 0.184 -0.890 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -13.055 -1.364 -0.504 1.00 1.00 H new ATOM 741 N SER A 51 -10.386 -1.040 1.199 1.00 1.00 N ATOM 742 CA SER A 51 -9.733 -0.994 2.532 1.00 1.00 C ATOM 743 C SER A 51 -8.551 -0.030 2.515 1.00 1.00 C ATOM 744 O SER A 51 -8.190 0.536 1.484 1.00 1.00 O ATOM 745 CB SER A 51 -9.237 -2.394 2.950 1.00 1.00 C ATOM 746 OG SER A 51 -8.162 -2.795 2.107 1.00 1.00 O ATOM 0 H SER A 51 -9.772 -1.390 0.463 1.00 1.00 H new ATOM 0 HA SER A 51 -10.474 -0.648 3.252 1.00 1.00 H new ATOM 0 HB2 SER A 51 -8.910 -2.379 3.990 1.00 1.00 H new ATOM 0 HB3 SER A 51 -10.052 -3.114 2.883 1.00 1.00 H new ATOM 0 HG SER A 51 -8.241 -2.345 1.240 1.00 1.00 H new ATOM 752 N HIS A 52 -7.955 0.155 3.689 1.00 1.00 N ATOM 753 CA HIS A 52 -6.789 1.064 3.842 1.00 1.00 C ATOM 754 C HIS A 52 -5.540 0.267 4.218 1.00 1.00 C ATOM 755 O HIS A 52 -5.574 -0.607 5.083 1.00 1.00 O ATOM 756 CB HIS A 52 -7.097 2.115 4.931 1.00 1.00 C ATOM 757 CG HIS A 52 -7.497 1.425 6.204 1.00 1.00 C ATOM 758 ND1 HIS A 52 -8.817 1.144 6.501 1.00 1.00 N ATOM 759 CD2 HIS A 52 -6.763 0.962 7.267 1.00 1.00 C ATOM 760 CE1 HIS A 52 -8.843 0.533 7.697 1.00 1.00 C ATOM 761 NE2 HIS A 52 -7.617 0.397 8.210 1.00 1.00 N ATOM 0 H HIS A 52 -8.247 -0.303 4.553 1.00 1.00 H new ATOM 0 HA HIS A 52 -6.603 1.569 2.894 1.00 1.00 H new ATOM 0 HB2 HIS A 52 -6.221 2.740 5.105 1.00 1.00 H new ATOM 0 HB3 HIS A 52 -7.898 2.775 4.597 1.00 1.00 H new ATOM 0 HD2 HIS A 52 -5.689 1.026 7.358 1.00 1.00 H new ATOM 0 HE1 HIS A 52 -9.745 0.193 8.184 1.00 1.00 H new ATOM 0 HE2 HIS A 52 -7.362 -0.029 9.101 1.00 1.00 H new ATOM 770 N GLY A 53 -4.431 0.593 3.561 1.00 1.00 N ATOM 771 CA GLY A 53 -3.144 -0.076 3.811 1.00 1.00 C ATOM 772 C GLY A 53 -2.000 0.921 3.790 1.00 1.00 C ATOM 773 O GLY A 53 -2.148 2.053 3.330 1.00 1.00 O ATOM 0 H GLY A 53 -4.391 1.320 2.846 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -3.174 -0.580 4.777 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -2.976 -0.844 3.055 1.00 1.00 H new ATOM 777 N TYR A 54 -0.845 0.486 4.282 1.00 1.00 N ATOM 778 CA TYR A 54 0.370 1.335 4.327 1.00 1.00 C ATOM 779 C TYR A 54 1.558 0.581 3.742 1.00 1.00 C ATOM 780 O TYR A 54 1.778 -0.600 4.015 1.00 1.00 O ATOM 781 CB TYR A 54 0.679 1.745 5.780 1.00 1.00 C ATOM 782 CG TYR A 54 -0.458 2.630 6.315 1.00 1.00 C ATOM 783 CD1 TYR A 54 -1.671 2.043 6.716 1.00 1.00 C ATOM 784 CD2 TYR A 54 -0.311 4.034 6.388 1.00 1.00 C ATOM 785 CE1 TYR A 54 -2.716 2.847 7.194 1.00 1.00 C ATOM 786 CE2 TYR A 54 -1.360 4.826 6.868 1.00 1.00 C ATOM 787 CZ TYR A 54 -2.558 4.234 7.267 1.00 1.00 C ATOM 788 OH TYR A 54 -3.589 5.014 7.742 1.00 1.00 O ATOM 0 H TYR A 54 -0.711 -0.452 4.660 1.00 1.00 H new ATOM 0 HA TYR A 54 0.190 2.232 3.735 1.00 1.00 H new ATOM 0 HB2 TYR A 54 0.788 0.858 6.404 1.00 1.00 H new ATOM 0 HB3 TYR A 54 1.625 2.284 5.824 1.00 1.00 H new ATOM 0 HD1 TYR A 54 -1.798 0.972 6.656 1.00 1.00 H new ATOM 0 HD2 TYR A 54 0.613 4.496 6.073 1.00 1.00 H new ATOM 0 HE1 TYR A 54 -3.645 2.393 7.506 1.00 1.00 H new ATOM 0 HE2 TYR A 54 -1.242 5.898 6.930 1.00 1.00 H new ATOM 0 HH TYR A 54 -3.251 5.908 7.956 1.00 1.00 H new ATOM 798 N VAL A 55 2.330 1.290 2.925 1.00 1.00 N ATOM 799 CA VAL A 55 3.515 0.704 2.278 1.00 1.00 C ATOM 800 C VAL A 55 4.633 1.737 2.194 1.00 1.00 C ATOM 801 O VAL A 55 4.391 2.940 2.095 1.00 1.00 O ATOM 802 CB VAL A 55 3.144 0.192 0.856 1.00 1.00 C ATOM 803 CG1 VAL A 55 4.343 -0.577 0.227 1.00 1.00 C ATOM 804 CG2 VAL A 55 1.893 -0.732 0.933 1.00 1.00 C ATOM 0 H VAL A 55 2.163 2.269 2.691 1.00 1.00 H new ATOM 0 HA VAL A 55 3.865 -0.138 2.875 1.00 1.00 H new ATOM 0 HB VAL A 55 2.912 1.049 0.224 1.00 1.00 H new ATOM 0 HG11 VAL A 55 4.068 -0.929 -0.767 1.00 1.00 H new ATOM 0 HG12 VAL A 55 5.203 0.089 0.152 1.00 1.00 H new ATOM 0 HG13 VAL A 55 4.598 -1.430 0.856 1.00 1.00 H new ATOM 0 HG21 VAL A 55 1.640 -1.086 -0.066 1.00 1.00 H new ATOM 0 HG22 VAL A 55 2.110 -1.585 1.576 1.00 1.00 H new ATOM 0 HG23 VAL A 55 1.052 -0.173 1.343 1.00 1.00 H new ATOM 814 N ALA A 56 5.868 1.247 2.228 1.00 1.00 N ATOM 815 CA ALA A 56 7.032 2.117 2.144 1.00 1.00 C ATOM 816 C ALA A 56 7.109 2.751 0.745 1.00 1.00 C ATOM 817 O ALA A 56 7.078 2.067 -0.277 1.00 1.00 O ATOM 818 CB ALA A 56 8.298 1.300 2.425 1.00 1.00 C ATOM 0 H ALA A 56 6.087 0.254 2.313 1.00 1.00 H new ATOM 0 HA ALA A 56 6.947 2.913 2.884 1.00 1.00 H new ATOM 0 HB1 ALA A 56 9.171 1.949 2.363 1.00 1.00 H new ATOM 0 HB2 ALA A 56 8.238 0.868 3.424 1.00 1.00 H new ATOM 0 HB3 ALA A 56 8.386 0.501 1.689 1.00 1.00 H new ATOM 824 N LYS A 57 7.219 4.075 0.728 1.00 1.00 N ATOM 825 CA LYS A 57 7.304 4.819 -0.544 1.00 1.00 C ATOM 826 C LYS A 57 8.693 4.648 -1.161 1.00 1.00 C ATOM 827 O LYS A 57 8.879 4.852 -2.361 1.00 1.00 O ATOM 828 CB LYS A 57 7.024 6.314 -0.304 1.00 1.00 C ATOM 829 CG LYS A 57 7.833 6.815 0.932 1.00 1.00 C ATOM 830 CD LYS A 57 7.862 8.372 0.963 1.00 1.00 C ATOM 831 CE LYS A 57 8.198 8.893 2.373 1.00 1.00 C ATOM 832 NZ LYS A 57 7.054 8.567 3.269 1.00 1.00 N ATOM 0 H LYS A 57 7.252 4.658 1.564 1.00 1.00 H new ATOM 0 HA LYS A 57 6.556 4.422 -1.231 1.00 1.00 H new ATOM 0 HB2 LYS A 57 7.299 6.891 -1.187 1.00 1.00 H new ATOM 0 HB3 LYS A 57 5.958 6.471 -0.140 1.00 1.00 H new ATOM 0 HG2 LYS A 57 7.383 6.434 1.849 1.00 1.00 H new ATOM 0 HG3 LYS A 57 8.850 6.426 0.891 1.00 1.00 H new ATOM 0 HD2 LYS A 57 8.601 8.739 0.251 1.00 1.00 H new ATOM 0 HD3 LYS A 57 6.894 8.763 0.649 1.00 1.00 H new ATOM 0 HE2 LYS A 57 9.114 8.431 2.741 1.00 1.00 H new ATOM 0 HE3 LYS A 57 8.370 9.969 2.351 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 7.257 8.909 4.230 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 6.192 9.027 2.913 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 6.913 7.537 3.291 1.00 1.00 H new ATOM 846 N GLU A 58 9.663 4.281 -0.329 1.00 1.00 N ATOM 847 CA GLU A 58 11.043 4.109 -0.794 1.00 1.00 C ATOM 848 C GLU A 58 11.131 2.952 -1.775 1.00 1.00 C ATOM 849 O GLU A 58 11.876 2.995 -2.754 1.00 1.00 O ATOM 850 CB GLU A 58 11.976 3.871 0.417 1.00 1.00 C ATOM 851 CG GLU A 58 13.459 3.852 -0.025 1.00 1.00 C ATOM 852 CD GLU A 58 14.398 3.641 1.167 1.00 1.00 C ATOM 853 OE1 GLU A 58 13.935 3.203 2.209 1.00 1.00 O ATOM 854 OE2 GLU A 58 15.580 3.903 1.010 1.00 1.00 O ATOM 0 H GLU A 58 9.525 4.097 0.665 1.00 1.00 H new ATOM 0 HA GLU A 58 11.361 5.015 -1.310 1.00 1.00 H new ATOM 0 HB2 GLU A 58 11.823 4.655 1.159 1.00 1.00 H new ATOM 0 HB3 GLU A 58 11.723 2.925 0.896 1.00 1.00 H new ATOM 0 HG2 GLU A 58 13.612 3.057 -0.755 1.00 1.00 H new ATOM 0 HG3 GLU A 58 13.704 4.791 -0.521 1.00 1.00 H new ATOM 861 N TYR A 59 10.358 1.905 -1.500 1.00 1.00 N ATOM 862 CA TYR A 59 10.334 0.716 -2.362 1.00 1.00 C ATOM 863 C TYR A 59 9.571 1.021 -3.645 1.00 1.00 C ATOM 864 O TYR A 59 9.888 0.483 -4.704 1.00 1.00 O ATOM 865 CB TYR A 59 9.673 -0.458 -1.593 1.00 1.00 C ATOM 866 CG TYR A 59 10.673 -1.046 -0.582 1.00 1.00 C ATOM 867 CD1 TYR A 59 11.030 -0.301 0.557 1.00 1.00 C ATOM 868 CD2 TYR A 59 11.259 -2.316 -0.787 1.00 1.00 C ATOM 869 CE1 TYR A 59 11.951 -0.817 1.477 1.00 1.00 C ATOM 870 CE2 TYR A 59 12.178 -2.824 0.138 1.00 1.00 C ATOM 871 CZ TYR A 59 12.523 -2.076 1.266 1.00 1.00 C ATOM 872 OH TYR A 59 13.427 -2.583 2.172 1.00 1.00 O ATOM 0 H TYR A 59 9.740 1.851 -0.691 1.00 1.00 H new ATOM 0 HA TYR A 59 11.352 0.433 -2.631 1.00 1.00 H new ATOM 0 HB2 TYR A 59 8.780 -0.109 -1.074 1.00 1.00 H new ATOM 0 HB3 TYR A 59 9.353 -1.230 -2.293 1.00 1.00 H new ATOM 0 HD1 TYR A 59 10.592 0.672 0.722 1.00 1.00 H new ATOM 0 HD2 TYR A 59 10.997 -2.896 -1.660 1.00 1.00 H new ATOM 0 HE1 TYR A 59 12.220 -0.242 2.351 1.00 1.00 H new ATOM 0 HE2 TYR A 59 12.621 -3.796 -0.021 1.00 1.00 H new ATOM 0 HH TYR A 59 13.726 -3.468 1.875 1.00 1.00 H new ATOM 882 N ILE A 60 8.551 1.869 -3.542 1.00 1.00 N ATOM 883 CA ILE A 60 7.725 2.226 -4.706 1.00 1.00 C ATOM 884 C ILE A 60 8.405 3.370 -5.471 1.00 1.00 C ATOM 885 O ILE A 60 8.286 3.400 -6.685 1.00 1.00 O ATOM 886 CB ILE A 60 6.300 2.646 -4.232 1.00 1.00 C ATOM 887 CG1 ILE A 60 5.680 1.512 -3.345 1.00 1.00 C ATOM 888 CG2 ILE A 60 5.391 2.903 -5.467 1.00 1.00 C ATOM 889 CD1 ILE A 60 4.349 1.964 -2.710 1.00 1.00 C ATOM 890 OXT ILE A 60 9.033 4.196 -4.831 1.00 1.00 O ATOM 0 H ILE A 60 8.273 2.323 -2.672 1.00 1.00 H new ATOM 0 HA ILE A 60 7.624 1.367 -5.370 1.00 1.00 H new ATOM 0 HB ILE A 60 6.373 3.561 -3.644 1.00 1.00 H new ATOM 0 HG12 ILE A 60 5.512 0.623 -3.952 1.00 1.00 H new ATOM 0 HG13 ILE A 60 6.384 1.234 -2.561 1.00 1.00 H new ATOM 0 HG21 ILE A 60 4.396 3.196 -5.132 1.00 1.00 H new ATOM 0 HG22 ILE A 60 5.819 3.701 -6.074 1.00 1.00 H new ATOM 0 HG23 ILE A 60 5.320 1.993 -6.062 1.00 1.00 H new ATOM 0 HD11 ILE A 60 3.944 1.156 -2.101 1.00 1.00 H new ATOM 0 HD12 ILE A 60 4.523 2.839 -2.083 1.00 1.00 H new ATOM 0 HD13 ILE A 60 3.638 2.217 -3.497 1.00 1.00 H new