USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 611 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 60 MET CE :methyl 150:sc= 0 (180deg=0) USER MOD Set 1.2: A 64 THR OG1 : rot 87:sc= 1.08 USER MOD Set 2.1: A 39 LYS NZ :NH3+ 146:sc= 0.474 (180deg=0.232) USER MOD Set 2.2: A 40 THR OG1 : rot 61:sc= 1.01 USER MOD Set 3.1: A 13 THR OG1 : rot 44:sc= 0.298 USER MOD Set 3.2: A 16 THR OG1 : rot -170:sc= 0.0082 USER MOD Single : A 1 THR N :NH3+ 145:sc= 0.0225 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : A 2 GLN : amide:sc= 0.0278 X(o=0.028,f=0) USER MOD Single : A 3 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.57) USER MOD Single : A 5 GLN : amide:sc= -0.736 K(o=-0.74,f=-0.2) USER MOD Single : A 6 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.22) USER MOD Single : A 9 MET CE :methyl 158:sc= -0.189 (180deg=-0.73) USER MOD Single : A 11 SER OG : rot 84:sc= 0.116 USER MOD Single : A 17 GLN : amide:sc= -0.402 X(o=-0.4,f=-0.44) USER MOD Single : A 19 LYS NZ :NH3+ -173:sc= 0.0815 (180deg=0.0244) USER MOD Single : A 21 SER OG : rot -79:sc= 0.83 USER MOD Single : A 23 SER OG : rot 116:sc= 0.355 USER MOD Single : A 24 SER OG : rot 85:sc= 0.0502 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -44:sc= 0.0267 USER MOD Single : A 30 LYS NZ :NH3+ -123:sc= 0.00256 (180deg=-0.143) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0142 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 69:sc= 0.174 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 90:sc= 0.351 USER MOD Single : A 57 THR OG1 : rot 91:sc= 0.565 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 73:sc= 0.0156 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -78:sc= 1.09 USER MOD Single : A 70 GLN : amide:sc= -0.838 X(o=-0.84,f=-0.63) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.07) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 28.276 -21.781 11.318 -0.70 -0.05 N ATOM 2 CA THR A 1 28.595 -20.364 10.985 -0.70 -0.05 C ATOM 3 C THR A 1 30.101 -20.110 11.033 -0.70 -0.05 C ATOM 4 O THR A 1 30.767 -20.455 12.011 -0.70 -0.05 O ATOM 5 CB THR A 1 27.870 -19.449 11.979 -0.70 -0.05 C ATOM 6 OG1 THR A 1 26.478 -19.709 11.980 -0.70 -0.05 O ATOM 7 CG2 THR A 1 28.059 -17.975 11.686 -0.70 -0.05 C ATOM 0 H1 THR A 1 27.379 -21.821 11.843 -0.70 -0.05 H new ATOM 0 H2 THR A 1 28.189 -22.333 10.441 -0.70 -0.05 H new ATOM 0 H3 THR A 1 29.037 -22.180 11.903 -0.70 -0.05 H new ATOM 0 HA THR A 1 28.259 -20.153 9.970 -0.70 -0.05 H new ATOM 0 HB THR A 1 28.315 -19.671 12.949 -0.70 -0.05 H new ATOM 0 HG1 THR A 1 26.035 -19.116 12.622 -0.70 -0.05 H new ATOM 0 HG21 THR A 1 27.520 -17.385 12.427 -0.70 -0.05 H new ATOM 0 HG22 THR A 1 29.120 -17.729 11.728 -0.70 -0.05 H new ATOM 0 HG23 THR A 1 27.673 -17.749 10.692 -0.70 -0.05 H new ATOM 17 N GLN A 2 30.629 -19.502 9.970 -1.00 -0.85 N ATOM 18 CA GLN A 2 32.057 -19.196 9.885 -1.00 -0.85 C ATOM 19 C GLN A 2 32.293 -17.683 9.894 -1.00 -0.85 C ATOM 20 O GLN A 2 33.010 -17.148 9.046 -1.00 -0.85 O ATOM 21 CB GLN A 2 32.663 -19.827 8.624 -1.00 -0.85 C ATOM 22 CG GLN A 2 31.943 -19.451 7.336 -1.00 -0.85 C ATOM 23 CD GLN A 2 32.900 -19.158 6.195 -1.00 -0.85 C ATOM 24 OE1 GLN A 2 33.262 -20.051 5.429 -1.00 -0.85 O ATOM 25 NE2 GLN A 2 33.318 -17.901 6.075 -1.00 -0.85 N ATOM 0 H GLN A 2 30.088 -19.212 9.155 -1.00 -0.85 H new ATOM 0 HA GLN A 2 32.550 -19.620 10.760 -1.00 -0.85 H new ATOM 0 HB2 GLN A 2 33.708 -19.526 8.545 -1.00 -0.85 H new ATOM 0 HB3 GLN A 2 32.651 -20.912 8.731 -1.00 -0.85 H new ATOM 0 HG2 GLN A 2 31.277 -20.264 7.046 -1.00 -0.85 H new ATOM 0 HG3 GLN A 2 31.319 -18.576 7.516 -1.00 -0.85 H new ATOM 0 HE21 GLN A 2 32.994 -17.191 6.731 -1.00 -0.85 H new ATOM 0 HE22 GLN A 2 33.963 -17.647 5.327 -1.00 -0.85 H new ATOM 34 N GLN A 3 31.682 -16.999 10.864 -1.00 -0.85 N ATOM 35 CA GLN A 3 31.820 -15.551 10.991 -1.00 -0.85 C ATOM 36 C GLN A 3 31.844 -15.132 12.461 -1.00 -0.85 C ATOM 37 O GLN A 3 30.946 -15.484 13.228 -1.00 -0.85 O ATOM 38 CB GLN A 3 30.676 -14.843 10.259 -1.00 -0.85 C ATOM 39 CG GLN A 3 30.981 -13.396 9.900 -1.00 -0.85 C ATOM 40 CD GLN A 3 30.332 -12.408 10.850 -1.00 -0.85 C ATOM 41 OE1 GLN A 3 30.945 -11.974 11.826 -1.00 -0.85 O ATOM 42 NE2 GLN A 3 29.084 -12.045 10.570 -1.00 -0.85 N ATOM 0 H GLN A 3 31.087 -17.428 11.573 -1.00 -0.85 H new ATOM 0 HA GLN A 3 32.766 -15.258 10.536 -1.00 -0.85 H new ATOM 0 HB2 GLN A 3 30.445 -15.393 9.347 -1.00 -0.85 H new ATOM 0 HB3 GLN A 3 29.783 -14.872 10.884 -1.00 -0.85 H new ATOM 0 HG2 GLN A 3 32.060 -13.244 9.906 -1.00 -0.85 H new ATOM 0 HG3 GLN A 3 30.637 -13.197 8.885 -1.00 -0.85 H new ATOM 0 HE21 GLN A 3 28.613 -12.429 9.751 -1.00 -0.85 H new ATOM 0 HE22 GLN A 3 28.598 -11.383 11.174 -1.00 -0.85 H new ATOM 51 N PRO A 4 32.879 -14.372 12.874 -1.00 0.12 N ATOM 52 CA PRO A 4 33.020 -13.906 14.257 -1.00 0.12 C ATOM 53 C PRO A 4 32.095 -12.729 14.574 -1.00 0.12 C ATOM 54 O PRO A 4 32.511 -11.569 14.540 -1.00 0.12 O ATOM 55 CB PRO A 4 34.488 -13.484 14.331 -1.00 0.12 C ATOM 56 CG PRO A 4 34.824 -13.054 12.945 -1.00 0.12 C ATOM 57 CD PRO A 4 33.996 -13.912 12.023 -1.00 0.12 C ATOM 0 HA PRO A 4 32.747 -14.673 14.982 -1.00 0.12 H new ATOM 0 HB2 PRO A 4 34.632 -12.672 15.044 -1.00 0.12 H new ATOM 0 HB3 PRO A 4 35.122 -14.309 14.655 -1.00 0.12 H new ATOM 0 HG2 PRO A 4 34.598 -11.998 12.800 -1.00 0.12 H new ATOM 0 HG3 PRO A 4 35.888 -13.183 12.745 -1.00 0.12 H new ATOM 0 HD2 PRO A 4 33.637 -13.345 11.164 -1.00 0.12 H new ATOM 0 HD3 PRO A 4 34.572 -14.751 11.632 -1.00 0.12 H new ATOM 65 N GLN A 5 30.834 -13.041 14.880 -1.00 -0.85 N ATOM 66 CA GLN A 5 29.844 -12.015 15.203 -1.00 -0.85 C ATOM 67 C GLN A 5 30.111 -11.412 16.581 -1.00 -0.85 C ATOM 68 O GLN A 5 30.185 -12.133 17.579 -1.00 -0.85 O ATOM 69 CB GLN A 5 28.429 -12.600 15.154 -1.00 -0.85 C ATOM 70 CG GLN A 5 27.705 -12.333 13.844 -1.00 -0.85 C ATOM 71 CD GLN A 5 27.260 -13.607 13.150 -1.00 -0.85 C ATOM 72 OE1 GLN A 5 26.066 -13.885 13.046 -1.00 -0.85 O ATOM 73 NE2 GLN A 5 28.221 -14.390 12.670 -1.00 -0.85 N ATOM 0 H GLN A 5 30.476 -13.996 14.911 -1.00 -0.85 H new ATOM 0 HA GLN A 5 29.926 -11.224 14.458 -1.00 -0.85 H new ATOM 0 HB2 GLN A 5 28.484 -13.676 15.316 -1.00 -0.85 H new ATOM 0 HB3 GLN A 5 27.844 -12.184 15.974 -1.00 -0.85 H new ATOM 0 HG2 GLN A 5 26.834 -11.706 14.036 -1.00 -0.85 H new ATOM 0 HG3 GLN A 5 28.361 -11.772 13.179 -1.00 -0.85 H new ATOM 0 HE21 GLN A 5 29.199 -14.122 12.778 -1.00 -0.85 H new ATOM 0 HE22 GLN A 5 27.980 -15.259 12.194 -1.00 -0.85 H new ATOM 82 N GLN A 6 30.254 -10.087 16.626 -1.00 -0.85 N ATOM 83 CA GLN A 6 30.512 -9.378 17.881 -1.00 -0.85 C ATOM 84 C GLN A 6 29.301 -9.443 18.817 -1.00 -0.85 C ATOM 85 O GLN A 6 28.236 -9.937 18.436 -1.00 -0.85 O ATOM 86 CB GLN A 6 30.887 -7.916 17.604 -1.00 -0.85 C ATOM 87 CG GLN A 6 29.819 -7.135 16.848 -1.00 -0.85 C ATOM 88 CD GLN A 6 28.886 -6.370 17.769 -1.00 -0.85 C ATOM 89 OE1 GLN A 6 29.324 -5.536 18.562 -1.00 -0.85 O ATOM 90 NE2 GLN A 6 27.590 -6.650 17.671 -1.00 -0.85 N ATOM 0 H GLN A 6 30.196 -9.482 15.807 -1.00 -0.85 H new ATOM 0 HA GLN A 6 31.349 -9.872 18.375 -1.00 -0.85 H new ATOM 0 HB2 GLN A 6 31.085 -7.416 18.552 -1.00 -0.85 H new ATOM 0 HB3 GLN A 6 31.814 -7.892 17.031 -1.00 -0.85 H new ATOM 0 HG2 GLN A 6 30.302 -6.436 16.165 -1.00 -0.85 H new ATOM 0 HG3 GLN A 6 29.235 -7.824 16.238 -1.00 -0.85 H new ATOM 0 HE21 GLN A 6 27.268 -7.348 17.001 -1.00 -0.85 H new ATOM 0 HE22 GLN A 6 26.917 -6.167 18.266 -1.00 -0.85 H new ATOM 99 N ASP A 7 29.468 -8.941 20.044 -1.00 -0.90 N ATOM 100 CA ASP A 7 28.389 -8.943 21.031 -1.00 -0.90 C ATOM 101 C ASP A 7 27.302 -7.937 20.655 -1.00 -0.90 C ATOM 102 O ASP A 7 27.531 -6.727 20.679 -1.00 -0.90 O ATOM 103 CB ASP A 7 28.939 -8.623 22.425 -1.00 -0.90 C ATOM 104 CG ASP A 7 27.869 -8.689 23.501 -1.00 -0.90 C ATOM 105 OD1 ASP A 7 27.211 -7.656 23.751 -1.00 -0.90 O ATOM 106 OD2 ASP A 7 27.689 -9.774 24.092 -1.00 -0.90 O ATOM 0 H ASP A 7 30.340 -8.529 20.376 -1.00 -0.90 H new ATOM 0 HA ASP A 7 27.947 -9.939 21.044 -1.00 -0.90 H new ATOM 0 HB2 ASP A 7 29.737 -9.325 22.667 -1.00 -0.90 H new ATOM 0 HB3 ASP A 7 29.382 -7.627 22.418 -1.00 -0.90 H new ATOM 111 N GLU A 8 26.118 -8.447 20.313 -1.00 -0.74 N ATOM 112 CA GLU A 8 24.990 -7.597 19.938 -1.00 -0.74 C ATOM 113 C GLU A 8 24.453 -6.841 21.154 -1.00 -0.74 C ATOM 114 O GLU A 8 23.641 -7.368 21.917 -1.00 -0.74 O ATOM 115 CB GLU A 8 23.879 -8.437 19.297 -1.00 -0.74 C ATOM 116 CG GLU A 8 23.338 -7.847 18.005 -1.00 -0.74 C ATOM 117 CD GLU A 8 22.186 -6.887 18.237 -1.00 -0.74 C ATOM 118 OE1 GLU A 8 22.437 -5.767 18.725 -1.00 -0.74 O ATOM 119 OE2 GLU A 8 21.034 -7.257 17.929 -1.00 -0.74 O ATOM 0 H GLU A 8 25.916 -9.447 20.288 -1.00 -0.74 H new ATOM 0 HA GLU A 8 25.340 -6.866 19.209 -1.00 -0.74 H new ATOM 0 HB2 GLU A 8 24.261 -9.438 19.097 -1.00 -0.74 H new ATOM 0 HB3 GLU A 8 23.060 -8.545 20.008 -1.00 -0.74 H new ATOM 0 HG2 GLU A 8 24.141 -7.325 17.484 -1.00 -0.74 H new ATOM 0 HG3 GLU A 8 23.007 -8.655 17.352 -1.00 -0.74 H new ATOM 126 N MET A 9 24.923 -5.605 21.331 1.00 0.64 N ATOM 127 CA MET A 9 24.500 -4.773 22.459 1.00 0.64 C ATOM 128 C MET A 9 23.036 -4.347 22.319 1.00 0.64 C ATOM 129 O MET A 9 22.214 -4.667 23.178 1.00 0.64 O ATOM 130 CB MET A 9 25.403 -3.541 22.588 1.00 0.64 C ATOM 131 CG MET A 9 26.632 -3.776 23.453 1.00 0.64 C ATOM 132 SD MET A 9 28.125 -4.053 22.479 1.00 0.64 S ATOM 133 CE MET A 9 29.135 -4.953 23.653 1.00 0.64 C ATOM 0 H MET A 9 25.596 -5.158 20.708 1.00 0.64 H new ATOM 0 HA MET A 9 24.591 -5.372 23.365 1.00 0.64 H new ATOM 0 HB2 MET A 9 25.723 -3.229 21.594 1.00 0.64 H new ATOM 0 HB3 MET A 9 24.824 -2.719 23.009 1.00 0.64 H new ATOM 0 HG2 MET A 9 26.783 -2.915 24.105 1.00 0.64 H new ATOM 0 HG3 MET A 9 26.458 -4.638 24.098 1.00 0.64 H new ATOM 0 HE1 MET A 9 29.893 -5.524 23.118 1.00 0.64 H new ATOM 0 HE2 MET A 9 29.621 -4.250 24.330 1.00 0.64 H new ATOM 0 HE3 MET A 9 28.506 -5.634 24.227 1.00 0.64 H new ATOM 143 N PRO A 10 22.684 -3.617 21.234 -1.00 0.12 N ATOM 144 CA PRO A 10 21.308 -3.157 21.004 -1.00 0.12 C ATOM 145 C PRO A 10 20.406 -4.257 20.437 -1.00 0.12 C ATOM 146 O PRO A 10 19.852 -4.122 19.344 -1.00 0.12 O ATOM 147 CB PRO A 10 21.499 -2.027 19.991 -1.00 0.12 C ATOM 148 CG PRO A 10 22.696 -2.432 19.203 -1.00 0.12 C ATOM 149 CD PRO A 10 23.595 -3.181 20.155 -1.00 0.12 C ATOM 0 HA PRO A 10 20.811 -2.849 21.924 -1.00 0.12 H new ATOM 0 HB2 PRO A 10 20.623 -1.914 19.352 -1.00 0.12 H new ATOM 0 HB3 PRO A 10 21.656 -1.070 20.489 -1.00 0.12 H new ATOM 0 HG2 PRO A 10 22.412 -3.062 18.360 -1.00 0.12 H new ATOM 0 HG3 PRO A 10 23.205 -1.560 18.792 -1.00 0.12 H new ATOM 0 HD2 PRO A 10 24.073 -4.031 19.668 -1.00 0.12 H new ATOM 0 HD3 PRO A 10 24.392 -2.543 20.538 -1.00 0.12 H new ATOM 157 N SER A 11 20.265 -5.350 21.190 -0.80 -0.18 N ATOM 158 CA SER A 11 19.434 -6.475 20.769 -0.80 -0.18 C ATOM 159 C SER A 11 17.945 -6.133 20.873 -0.80 -0.18 C ATOM 160 O SER A 11 17.232 -6.164 19.870 -0.80 -0.18 O ATOM 161 CB SER A 11 19.754 -7.721 21.600 -0.80 -0.18 C ATOM 162 OG SER A 11 20.896 -8.391 21.095 -0.80 -0.18 O ATOM 0 H SER A 11 20.717 -5.478 22.095 -0.80 -0.18 H new ATOM 0 HA SER A 11 19.660 -6.684 19.723 -0.80 -0.18 H new ATOM 0 HB2 SER A 11 19.925 -7.436 22.638 -0.80 -0.18 H new ATOM 0 HB3 SER A 11 18.899 -8.397 21.592 -0.80 -0.18 H new ATOM 0 HG SER A 11 21.706 -7.979 21.462 -0.80 -0.18 H new ATOM 168 N PRO A 12 17.452 -5.794 22.085 -1.00 0.12 N ATOM 169 CA PRO A 12 16.041 -5.442 22.291 -1.00 0.12 C ATOM 170 C PRO A 12 15.647 -4.165 21.548 -1.00 0.12 C ATOM 171 O PRO A 12 14.584 -4.103 20.930 -1.00 0.12 O ATOM 172 CB PRO A 12 15.929 -5.240 23.807 -1.00 0.12 C ATOM 173 CG PRO A 12 17.318 -4.955 24.264 -1.00 0.12 C ATOM 174 CD PRO A 12 18.224 -5.720 23.343 -1.00 0.12 C ATOM 0 HA PRO A 12 15.373 -6.213 21.907 -1.00 0.12 H new ATOM 0 HB2 PRO A 12 15.258 -4.415 24.046 -1.00 0.12 H new ATOM 0 HB3 PRO A 12 15.528 -6.129 24.295 -1.00 0.12 H new ATOM 0 HG2 PRO A 12 17.531 -3.887 24.222 -1.00 0.12 H new ATOM 0 HG3 PRO A 12 17.460 -5.267 25.299 -1.00 0.12 H new ATOM 0 HD2 PRO A 12 19.176 -5.209 23.200 -1.00 0.12 H new ATOM 0 HD3 PRO A 12 18.450 -6.712 23.734 -1.00 0.12 H new ATOM 182 N THR A 13 16.516 -3.152 21.609 -0.70 -0.05 N ATOM 183 CA THR A 13 16.264 -1.878 20.938 -0.70 -0.05 C ATOM 184 C THR A 13 16.404 -2.024 19.424 -0.70 -0.05 C ATOM 185 O THR A 13 17.517 -2.091 18.896 -0.70 -0.05 O ATOM 186 CB THR A 13 17.220 -0.797 21.455 -0.70 -0.05 C ATOM 187 OG1 THR A 13 18.562 -1.253 21.428 -0.70 -0.05 O ATOM 188 CG2 THR A 13 16.915 -0.354 22.871 -0.70 -0.05 C ATOM 0 H THR A 13 17.400 -3.192 22.117 -0.70 -0.05 H new ATOM 0 HA THR A 13 15.241 -1.576 21.163 -0.70 -0.05 H new ATOM 0 HB THR A 13 17.079 0.052 20.786 -0.70 -0.05 H new ATOM 0 HG1 THR A 13 18.735 -1.709 20.578 -0.70 -0.05 H new ATOM 0 HG21 THR A 13 17.629 0.412 23.174 -0.70 -0.05 H new ATOM 0 HG22 THR A 13 15.905 0.053 22.915 -0.70 -0.05 H new ATOM 0 HG23 THR A 13 16.991 -1.208 23.544 -0.70 -0.05 H new ATOM 196 N PHE A 14 15.267 -2.074 18.732 1.00 1.19 N ATOM 197 CA PHE A 14 15.256 -2.211 17.276 1.00 1.19 C ATOM 198 C PHE A 14 15.200 -0.844 16.594 1.00 1.19 C ATOM 199 O PHE A 14 15.804 -0.647 15.538 1.00 1.19 O ATOM 200 CB PHE A 14 14.066 -3.067 16.829 1.00 1.19 C ATOM 201 CG PHE A 14 14.214 -3.615 15.437 1.00 1.19 C ATOM 202 CD1 PHE A 14 14.894 -4.801 15.214 1.00 1.19 C ATOM 203 CD2 PHE A 14 13.673 -2.941 14.353 1.00 1.19 C ATOM 204 CE1 PHE A 14 15.031 -5.306 13.935 1.00 1.19 C ATOM 205 CE2 PHE A 14 13.808 -3.441 13.072 1.00 1.19 C ATOM 206 CZ PHE A 14 14.489 -4.625 12.863 1.00 1.19 C ATOM 0 H PHE A 14 14.341 -2.022 19.156 1.00 1.19 H new ATOM 0 HA PHE A 14 16.182 -2.704 16.980 1.00 1.19 H new ATOM 0 HB2 PHE A 14 13.942 -3.896 17.526 1.00 1.19 H new ATOM 0 HB3 PHE A 14 13.157 -2.468 16.881 1.00 1.19 H new ATOM 0 HD1 PHE A 14 15.322 -5.337 16.049 1.00 1.19 H new ATOM 0 HD2 PHE A 14 13.140 -2.015 14.512 1.00 1.19 H new ATOM 0 HE1 PHE A 14 15.562 -6.233 13.774 1.00 1.19 H new ATOM 0 HE2 PHE A 14 13.382 -2.907 12.235 1.00 1.19 H new ATOM 0 HZ PHE A 14 14.597 -5.017 11.863 1.00 1.19 H new ATOM 216 N LEU A 15 14.474 0.097 17.205 1.00 1.06 N ATOM 217 CA LEU A 15 14.340 1.447 16.658 1.00 1.06 C ATOM 218 C LEU A 15 15.694 2.156 16.592 1.00 1.06 C ATOM 219 O LEU A 15 15.944 2.936 15.673 1.00 1.06 O ATOM 220 CB LEU A 15 13.360 2.271 17.499 1.00 1.06 C ATOM 221 CG LEU A 15 12.702 3.443 16.767 1.00 1.06 C ATOM 222 CD1 LEU A 15 11.694 2.939 15.746 1.00 1.06 C ATOM 223 CD2 LEU A 15 12.036 4.385 17.760 1.00 1.06 C ATOM 0 H LEU A 15 13.970 -0.053 18.079 1.00 1.06 H new ATOM 0 HA LEU A 15 13.952 1.357 15.644 1.00 1.06 H new ATOM 0 HB2 LEU A 15 12.577 1.609 17.869 1.00 1.06 H new ATOM 0 HB3 LEU A 15 13.889 2.658 18.370 1.00 1.06 H new ATOM 0 HG LEU A 15 13.477 3.996 16.236 1.00 1.06 H new ATOM 0 HD11 LEU A 15 11.237 3.787 15.236 1.00 1.06 H new ATOM 0 HD12 LEU A 15 12.200 2.307 15.016 1.00 1.06 H new ATOM 0 HD13 LEU A 15 10.921 2.361 16.253 1.00 1.06 H new ATOM 0 HD21 LEU A 15 11.573 5.213 17.222 1.00 1.06 H new ATOM 0 HD22 LEU A 15 11.273 3.844 18.319 1.00 1.06 H new ATOM 0 HD23 LEU A 15 12.784 4.774 18.450 1.00 1.06 H new ATOM 235 N THR A 16 16.565 1.875 17.566 -0.70 -0.05 N ATOM 236 CA THR A 16 17.896 2.483 17.608 -0.70 -0.05 C ATOM 237 C THR A 16 18.669 2.178 16.325 -0.70 -0.05 C ATOM 238 O THR A 16 19.224 3.082 15.697 -0.70 -0.05 O ATOM 239 CB THR A 16 18.682 1.982 18.825 -0.70 -0.05 C ATOM 240 OG1 THR A 16 18.677 0.565 18.883 -0.70 -0.05 O ATOM 241 CG2 THR A 16 18.141 2.496 20.143 -0.70 -0.05 C ATOM 0 H THR A 16 16.372 1.232 18.334 -0.70 -0.05 H new ATOM 0 HA THR A 16 17.771 3.562 17.693 -0.70 -0.05 H new ATOM 0 HB THR A 16 19.693 2.367 18.689 -0.70 -0.05 H new ATOM 0 HG1 THR A 16 19.044 0.272 19.743 -0.70 -0.05 H new ATOM 0 HG21 THR A 16 18.744 2.103 20.962 -0.70 -0.05 H new ATOM 0 HG22 THR A 16 18.182 3.585 20.153 -0.70 -0.05 H new ATOM 0 HG23 THR A 16 17.108 2.170 20.264 -0.70 -0.05 H new ATOM 249 N GLN A 17 18.689 0.900 15.935 -1.00 -0.85 N ATOM 250 CA GLN A 17 19.381 0.473 14.720 -1.00 -0.85 C ATOM 251 C GLN A 17 18.767 1.134 13.486 -1.00 -0.85 C ATOM 252 O GLN A 17 19.482 1.746 12.694 -1.00 -0.85 O ATOM 253 CB GLN A 17 19.332 -1.052 14.579 -1.00 -0.85 C ATOM 254 CG GLN A 17 20.504 -1.632 13.801 -1.00 -0.85 C ATOM 255 CD GLN A 17 20.427 -1.334 12.314 -1.00 -0.85 C ATOM 256 OE1 GLN A 17 19.595 -1.895 11.599 -1.00 -0.85 O ATOM 257 NE2 GLN A 17 21.296 -0.447 11.838 -1.00 -0.85 N ATOM 0 H GLN A 17 18.233 0.144 16.445 -1.00 -0.85 H new ATOM 0 HA GLN A 17 20.423 0.784 14.798 -1.00 -0.85 H new ATOM 0 HB2 GLN A 17 19.310 -1.499 15.573 -1.00 -0.85 H new ATOM 0 HB3 GLN A 17 18.403 -1.333 14.082 -1.00 -0.85 H new ATOM 0 HG2 GLN A 17 21.435 -1.229 14.200 -1.00 -0.85 H new ATOM 0 HG3 GLN A 17 20.535 -2.711 13.950 -1.00 -0.85 H new ATOM 0 HE21 GLN A 17 21.969 -0.005 12.465 -1.00 -0.85 H new ATOM 0 HE22 GLN A 17 21.290 -0.208 10.846 -1.00 -0.85 H new ATOM 266 N VAL A 18 17.439 0.992 13.341 1.00 1.08 N ATOM 267 CA VAL A 18 16.678 1.565 12.216 1.00 1.08 C ATOM 268 C VAL A 18 17.302 2.856 11.670 1.00 1.08 C ATOM 269 O VAL A 18 17.512 2.986 10.463 1.00 1.08 O ATOM 270 CB VAL A 18 15.209 1.845 12.613 1.00 1.08 C ATOM 271 CG1 VAL A 18 14.475 2.578 11.496 1.00 1.08 C ATOM 272 CG2 VAL A 18 14.491 0.549 12.965 1.00 1.08 C ATOM 0 H VAL A 18 16.860 0.475 14.003 1.00 1.08 H new ATOM 0 HA VAL A 18 16.709 0.813 11.428 1.00 1.08 H new ATOM 0 HB VAL A 18 15.213 2.486 13.495 1.00 1.08 H new ATOM 0 HG11 VAL A 18 13.444 2.764 11.798 1.00 1.08 H new ATOM 0 HG12 VAL A 18 14.971 3.528 11.297 1.00 1.08 H new ATOM 0 HG13 VAL A 18 14.484 1.967 10.593 1.00 1.08 H new ATOM 0 HG21 VAL A 18 13.460 0.768 13.241 1.00 1.08 H new ATOM 0 HG22 VAL A 18 14.502 -0.119 12.103 1.00 1.08 H new ATOM 0 HG23 VAL A 18 14.997 0.069 13.803 1.00 1.08 H new ATOM 282 N LYS A 19 17.587 3.807 12.565 -1.00 -1.50 N ATOM 283 CA LYS A 19 18.180 5.089 12.173 -1.00 -1.50 C ATOM 284 C LYS A 19 19.426 4.892 11.312 -1.00 -1.50 C ATOM 285 O LYS A 19 19.489 5.377 10.181 -1.00 -1.50 O ATOM 286 CB LYS A 19 18.522 5.923 13.413 -1.00 -1.50 C ATOM 287 CG LYS A 19 17.355 6.748 13.934 -1.00 -1.50 C ATOM 288 CD LYS A 19 16.635 6.040 15.074 -1.00 -1.50 C ATOM 289 CE LYS A 19 15.124 6.141 14.929 -1.00 -1.50 C ATOM 290 NZ LYS A 19 14.573 5.067 14.056 -1.00 -1.50 N ATOM 0 H LYS A 19 17.416 3.713 13.566 -1.00 -1.50 H new ATOM 0 HA LYS A 19 17.441 5.624 11.576 -1.00 -1.50 H new ATOM 0 HB2 LYS A 19 18.867 5.257 14.204 -1.00 -1.50 H new ATOM 0 HB3 LYS A 19 19.350 6.591 13.174 -1.00 -1.50 H new ATOM 0 HG2 LYS A 19 17.718 7.717 14.278 -1.00 -1.50 H new ATOM 0 HG3 LYS A 19 16.653 6.940 13.123 -1.00 -1.50 H new ATOM 0 HD2 LYS A 19 16.930 4.991 15.096 -1.00 -1.50 H new ATOM 0 HD3 LYS A 19 16.940 6.477 16.025 -1.00 -1.50 H new ATOM 0 HE2 LYS A 19 14.661 6.081 15.914 -1.00 -1.50 H new ATOM 0 HE3 LYS A 19 14.864 7.115 14.514 -1.00 -1.50 H new ATOM 0 HZ1 LYS A 19 13.562 5.241 13.888 -1.00 -1.50 H new ATOM 0 HZ2 LYS A 19 15.079 5.064 13.148 -1.00 -1.50 H new ATOM 0 HZ3 LYS A 19 14.693 4.145 14.522 -1.00 -1.50 H new ATOM 304 N GLU A 20 20.409 4.168 11.848 -1.00 -0.74 N ATOM 305 CA GLU A 20 21.648 3.897 11.119 -1.00 -0.74 C ATOM 306 C GLU A 20 21.379 3.051 9.875 -1.00 -0.74 C ATOM 307 O GLU A 20 22.104 3.143 8.883 -1.00 -0.74 O ATOM 308 CB GLU A 20 22.660 3.188 12.026 -1.00 -0.74 C ATOM 309 CG GLU A 20 24.054 3.799 11.979 -1.00 -0.74 C ATOM 310 CD GLU A 20 24.753 3.560 10.653 -1.00 -0.74 C ATOM 311 OE1 GLU A 20 25.134 2.403 10.382 -1.00 -0.74 O ATOM 312 OE2 GLU A 20 24.919 4.533 9.886 -1.00 -0.74 O ATOM 0 H GLU A 20 20.372 3.760 12.782 -1.00 -0.74 H new ATOM 0 HA GLU A 20 22.065 4.853 10.801 -1.00 -0.74 H new ATOM 0 HB2 GLU A 20 22.295 3.214 13.053 -1.00 -0.74 H new ATOM 0 HB3 GLU A 20 22.722 2.139 11.736 -1.00 -0.74 H new ATOM 0 HG2 GLU A 20 23.983 4.872 12.159 -1.00 -0.74 H new ATOM 0 HG3 GLU A 20 24.657 3.380 12.784 -1.00 -0.74 H new ATOM 319 N SER A 21 20.324 2.236 9.936 -0.80 -0.18 N ATOM 320 CA SER A 21 19.941 1.376 8.814 -0.80 -0.18 C ATOM 321 C SER A 21 19.555 2.205 7.584 -0.80 -0.18 C ATOM 322 O SER A 21 19.816 1.802 6.450 -0.80 -0.18 O ATOM 323 CB SER A 21 18.789 0.442 9.222 -0.80 -0.18 C ATOM 324 OG SER A 21 17.547 0.869 8.685 -0.80 -0.18 O ATOM 0 H SER A 21 19.718 2.153 10.752 -0.80 -0.18 H new ATOM 0 HA SER A 21 20.805 0.767 8.547 -0.80 -0.18 H new ATOM 0 HB2 SER A 21 19.004 -0.570 8.880 -0.80 -0.18 H new ATOM 0 HB3 SER A 21 18.721 0.403 10.309 -0.80 -0.18 H new ATOM 0 HG SER A 21 17.192 1.605 9.226 -0.80 -0.18 H new ATOM 330 N LEU A 22 18.927 3.361 7.821 1.00 1.06 N ATOM 331 CA LEU A 22 18.499 4.245 6.738 1.00 1.06 C ATOM 332 C LEU A 22 19.697 4.911 6.064 1.00 1.06 C ATOM 333 O LEU A 22 19.810 4.899 4.838 1.00 1.06 O ATOM 334 CB LEU A 22 17.535 5.312 7.266 1.00 1.06 C ATOM 335 CG LEU A 22 16.050 4.971 7.125 1.00 1.06 C ATOM 336 CD1 LEU A 22 15.609 4.026 8.233 1.00 1.06 C ATOM 337 CD2 LEU A 22 15.208 6.239 7.139 1.00 1.06 C ATOM 0 H LEU A 22 18.705 3.705 8.755 1.00 1.06 H new ATOM 0 HA LEU A 22 17.983 3.636 5.995 1.00 1.06 H new ATOM 0 HB2 LEU A 22 17.753 5.488 8.319 1.00 1.06 H new ATOM 0 HB3 LEU A 22 17.729 6.247 6.740 1.00 1.06 H new ATOM 0 HG LEU A 22 15.903 4.470 6.168 1.00 1.06 H new ATOM 0 HD11 LEU A 22 14.550 3.796 8.115 1.00 1.06 H new ATOM 0 HD12 LEU A 22 16.189 3.105 8.178 1.00 1.06 H new ATOM 0 HD13 LEU A 22 15.772 4.500 9.201 1.00 1.06 H new ATOM 0 HD21 LEU A 22 14.155 5.977 7.038 1.00 1.06 H new ATOM 0 HD22 LEU A 22 15.362 6.768 8.080 1.00 1.06 H new ATOM 0 HD23 LEU A 22 15.504 6.881 6.309 1.00 1.06 H new ATOM 349 N SER A 23 20.591 5.490 6.871 -0.80 -0.18 N ATOM 350 CA SER A 23 21.783 6.156 6.344 -0.80 -0.18 C ATOM 351 C SER A 23 22.640 5.183 5.537 -0.80 -0.18 C ATOM 352 O SER A 23 23.071 5.502 4.427 -0.80 -0.18 O ATOM 353 CB SER A 23 22.611 6.772 7.478 -0.80 -0.18 C ATOM 354 OG SER A 23 22.659 5.916 8.606 -0.80 -0.18 O ATOM 0 H SER A 23 20.511 5.510 7.888 -0.80 -0.18 H new ATOM 0 HA SER A 23 21.451 6.956 5.682 -0.80 -0.18 H new ATOM 0 HB2 SER A 23 23.623 6.969 7.126 -0.80 -0.18 H new ATOM 0 HB3 SER A 23 22.181 7.731 7.765 -0.80 -0.18 H new ATOM 0 HG SER A 23 23.583 5.627 8.758 -0.80 -0.18 H new ATOM 360 N SER A 24 22.868 3.992 6.094 -0.80 -0.18 N ATOM 361 CA SER A 24 23.657 2.964 5.417 -0.80 -0.18 C ATOM 362 C SER A 24 22.971 2.500 4.130 -0.80 -0.18 C ATOM 363 O SER A 24 23.623 1.963 3.233 -0.80 -0.18 O ATOM 364 CB SER A 24 23.886 1.769 6.347 -0.80 -0.18 C ATOM 365 OG SER A 24 24.718 2.124 7.439 -0.80 -0.18 O ATOM 0 H SER A 24 22.517 3.717 7.011 -0.80 -0.18 H new ATOM 0 HA SER A 24 24.620 3.401 5.153 -0.80 -0.18 H new ATOM 0 HB2 SER A 24 22.928 1.405 6.719 -0.80 -0.18 H new ATOM 0 HB3 SER A 24 24.343 0.952 5.789 -0.80 -0.18 H new ATOM 0 HG SER A 24 24.172 2.518 8.151 -0.80 -0.18 H new ATOM 371 N TYR A 25 21.656 2.725 4.039 -1.00 0.26 N ATOM 372 CA TYR A 25 20.892 2.342 2.856 -1.00 0.26 C ATOM 373 C TYR A 25 21.036 3.398 1.762 -1.00 0.26 C ATOM 374 O TYR A 25 21.228 3.064 0.592 -1.00 0.26 O ATOM 375 CB TYR A 25 19.413 2.151 3.212 -1.00 0.26 C ATOM 376 CG TYR A 25 18.577 1.605 2.074 -1.00 0.26 C ATOM 377 CD1 TYR A 25 18.438 0.237 1.881 -1.00 0.26 C ATOM 378 CD2 TYR A 25 17.928 2.461 1.193 -1.00 0.26 C ATOM 379 CE1 TYR A 25 17.676 -0.264 0.843 -1.00 0.26 C ATOM 380 CE2 TYR A 25 17.163 1.970 0.152 -1.00 0.26 C ATOM 381 CZ TYR A 25 17.041 0.606 -0.019 -1.00 0.26 C ATOM 382 OH TYR A 25 16.281 0.111 -1.054 -1.00 0.26 O ATOM 0 H TYR A 25 21.103 3.170 4.771 -1.00 0.26 H new ATOM 0 HA TYR A 25 21.287 1.397 2.484 -1.00 0.26 H new ATOM 0 HB2 TYR A 25 19.338 1.474 4.063 -1.00 0.26 H new ATOM 0 HB3 TYR A 25 18.998 3.108 3.529 -1.00 0.26 H new ATOM 0 HD1 TYR A 25 18.934 -0.447 2.554 -1.00 0.26 H new ATOM 0 HD2 TYR A 25 18.023 3.529 1.324 -1.00 0.26 H new ATOM 0 HE1 TYR A 25 17.578 -1.331 0.707 -1.00 0.26 H new ATOM 0 HE2 TYR A 25 16.664 2.649 -0.523 -1.00 0.26 H new ATOM 0 HH TYR A 25 15.902 0.855 -1.566 -1.00 0.26 H new ATOM 392 N TRP A 26 20.951 4.673 2.156 -0.90 0.81 N ATOM 393 CA TRP A 26 21.079 5.786 1.215 -0.90 0.81 C ATOM 394 C TRP A 26 22.472 5.820 0.588 -0.90 0.81 C ATOM 395 O TRP A 26 22.618 6.152 -0.589 -0.90 0.81 O ATOM 396 CB TRP A 26 20.789 7.117 1.919 -0.90 0.81 C ATOM 397 CG TRP A 26 19.654 7.878 1.303 -0.90 0.81 C ATOM 398 CD1 TRP A 26 19.687 9.157 0.828 -0.90 0.81 C ATOM 399 CD2 TRP A 26 18.318 7.405 1.098 -0.90 0.81 C ATOM 400 NE1 TRP A 26 18.451 9.509 0.338 -0.90 0.81 N ATOM 401 CE2 TRP A 26 17.594 8.451 0.492 -0.90 0.81 C ATOM 402 CE3 TRP A 26 17.662 6.201 1.366 -0.90 0.81 C ATOM 403 CZ2 TRP A 26 16.250 8.326 0.151 -0.90 0.81 C ATOM 404 CZ3 TRP A 26 16.329 6.078 1.027 -0.90 0.81 C ATOM 405 CH2 TRP A 26 15.634 7.134 0.425 -0.90 0.81 C ATOM 0 H TRP A 26 20.794 4.958 3.123 -0.90 0.81 H new ATOM 0 HA TRP A 26 20.349 5.637 0.419 -0.90 0.81 H new ATOM 0 HB2 TRP A 26 20.561 6.924 2.967 -0.90 0.81 H new ATOM 0 HB3 TRP A 26 21.686 7.735 1.897 -0.90 0.81 H new ATOM 0 HD1 TRP A 26 20.556 9.798 0.836 -0.90 0.81 H new ATOM 0 HE1 TRP A 26 18.211 10.411 -0.073 -0.90 0.81 H new ATOM 0 HE3 TRP A 26 18.188 5.380 1.830 -0.90 0.81 H new ATOM 0 HZ2 TRP A 26 15.713 9.140 -0.313 -0.90 0.81 H new ATOM 0 HZ3 TRP A 26 15.813 5.151 1.230 -0.90 0.81 H new ATOM 0 HH2 TRP A 26 14.592 7.006 0.172 -0.90 0.81 H new ATOM 416 N GLU A 27 23.485 5.462 1.384 -1.00 -0.74 N ATOM 417 CA GLU A 27 24.878 5.425 0.927 -1.00 -0.74 C ATOM 418 C GLU A 27 24.976 4.848 -0.483 -1.00 -0.74 C ATOM 419 O GLU A 27 25.460 5.507 -1.404 -1.00 -0.74 O ATOM 420 CB GLU A 27 25.734 4.600 1.894 -1.00 -0.74 C ATOM 421 CG GLU A 27 26.501 5.441 2.904 -1.00 -0.74 C ATOM 422 CD GLU A 27 26.451 4.867 4.309 -1.00 -0.74 C ATOM 423 OE1 GLU A 27 26.964 3.746 4.511 -1.00 -0.74 O ATOM 424 OE2 GLU A 27 25.901 5.539 5.206 -1.00 -0.74 O ATOM 0 H GLU A 27 23.363 5.191 2.360 -1.00 -0.74 H new ATOM 0 HA GLU A 27 25.254 6.448 0.905 -1.00 -0.74 H new ATOM 0 HB2 GLU A 27 25.090 3.902 2.430 -1.00 -0.74 H new ATOM 0 HB3 GLU A 27 26.442 4.003 1.319 -1.00 -0.74 H new ATOM 0 HG2 GLU A 27 27.541 5.522 2.587 -1.00 -0.74 H new ATOM 0 HG3 GLU A 27 26.091 6.451 2.915 -1.00 -0.74 H new ATOM 431 N SER A 28 24.499 3.611 -0.635 -0.80 -0.18 N ATOM 432 CA SER A 28 24.514 2.929 -1.926 -0.80 -0.18 C ATOM 433 C SER A 28 23.184 3.103 -2.670 -0.80 -0.18 C ATOM 434 O SER A 28 23.048 2.651 -3.810 -0.80 -0.18 O ATOM 435 CB SER A 28 24.812 1.440 -1.733 -0.80 -0.18 C ATOM 436 OG SER A 28 25.343 0.867 -2.916 -0.80 -0.18 O ATOM 0 H SER A 28 24.097 3.061 0.124 -0.80 -0.18 H new ATOM 0 HA SER A 28 25.300 3.381 -2.531 -0.80 -0.18 H new ATOM 0 HB2 SER A 28 25.519 1.311 -0.914 -0.80 -0.18 H new ATOM 0 HB3 SER A 28 23.898 0.917 -1.451 -0.80 -0.18 H new ATOM 0 HG SER A 28 24.828 1.178 -3.690 -0.80 -0.18 H new ATOM 442 N ALA A 29 22.204 3.758 -2.030 1.00 0.62 N ATOM 443 CA ALA A 29 20.894 3.978 -2.653 1.00 0.62 C ATOM 444 C ALA A 29 21.013 4.798 -3.938 1.00 0.62 C ATOM 445 O ALA A 29 20.276 4.562 -4.895 1.00 0.62 O ATOM 446 CB ALA A 29 19.945 4.665 -1.683 1.00 0.62 C ATOM 0 H ALA A 29 22.294 4.141 -1.089 1.00 0.62 H new ATOM 0 HA ALA A 29 20.489 3.000 -2.912 1.00 0.62 H new ATOM 0 HB1 ALA A 29 18.980 4.818 -2.166 1.00 0.62 H new ATOM 0 HB2 ALA A 29 19.814 4.041 -0.799 1.00 0.62 H new ATOM 0 HB3 ALA A 29 20.361 5.629 -1.388 1.00 0.62 H new ATOM 452 N LYS A 30 21.938 5.764 -3.952 -1.00 -1.50 N ATOM 453 CA LYS A 30 22.144 6.616 -5.126 -1.00 -1.50 C ATOM 454 C LYS A 30 22.372 5.783 -6.386 -1.00 -1.50 C ATOM 455 O LYS A 30 21.687 5.974 -7.390 -1.00 -1.50 O ATOM 456 CB LYS A 30 23.322 7.569 -4.902 -1.00 -1.50 C ATOM 457 CG LYS A 30 22.964 8.802 -4.086 -1.00 -1.50 C ATOM 458 CD LYS A 30 24.109 9.225 -3.180 -1.00 -1.50 C ATOM 459 CE LYS A 30 24.083 8.473 -1.858 -1.00 -1.50 C ATOM 460 NZ LYS A 30 25.320 8.704 -1.060 -1.00 -1.50 N ATOM 0 H LYS A 30 22.553 5.974 -3.166 -1.00 -1.50 H new ATOM 0 HA LYS A 30 21.238 7.204 -5.269 -1.00 -1.50 H new ATOM 0 HB2 LYS A 30 24.123 7.030 -4.397 -1.00 -1.50 H new ATOM 0 HB3 LYS A 30 23.711 7.885 -5.870 -1.00 -1.50 H new ATOM 0 HG2 LYS A 30 22.709 9.622 -4.757 -1.00 -1.50 H new ATOM 0 HG3 LYS A 30 22.079 8.596 -3.483 -1.00 -1.50 H new ATOM 0 HD2 LYS A 30 25.058 9.044 -3.684 -1.00 -1.50 H new ATOM 0 HD3 LYS A 30 24.048 10.297 -2.991 -1.00 -1.50 H new ATOM 0 HE2 LYS A 30 23.214 8.787 -1.279 -1.00 -1.50 H new ATOM 0 HE3 LYS A 30 23.969 7.406 -2.050 -1.00 -1.50 H new ATOM 0 HZ1 LYS A 30 25.774 7.792 -0.851 -1.00 -1.50 H new ATOM 0 HZ2 LYS A 30 25.977 9.301 -1.602 -1.00 -1.50 H new ATOM 0 HZ3 LYS A 30 25.074 9.181 -0.169 -1.00 -1.50 H new ATOM 474 N THR A 31 23.323 4.848 -6.318 -0.70 -0.05 N ATOM 475 CA THR A 31 23.622 3.961 -7.442 -0.70 -0.05 C ATOM 476 C THR A 31 22.332 3.365 -7.989 -0.70 -0.05 C ATOM 477 O THR A 31 22.161 3.230 -9.202 -0.70 -0.05 O ATOM 478 CB THR A 31 24.578 2.843 -7.011 -0.70 -0.05 C ATOM 479 OG1 THR A 31 25.628 3.357 -6.210 -0.70 -0.05 O ATOM 480 CG2 THR A 31 25.208 2.109 -8.177 -0.70 -0.05 C ATOM 0 H THR A 31 23.900 4.686 -5.493 -0.70 -0.05 H new ATOM 0 HA THR A 31 24.107 4.544 -8.225 -0.70 -0.05 H new ATOM 0 HB THR A 31 23.962 2.141 -6.450 -0.70 -0.05 H new ATOM 0 HG1 THR A 31 26.225 2.626 -5.945 -0.70 -0.05 H new ATOM 0 HG21 THR A 31 25.873 1.331 -7.801 -0.70 -0.05 H new ATOM 0 HG22 THR A 31 24.426 1.655 -8.786 -0.70 -0.05 H new ATOM 0 HG23 THR A 31 25.779 2.812 -8.784 -0.70 -0.05 H new ATOM 488 N ALA A 32 21.418 3.029 -7.074 1.00 0.62 N ATOM 489 CA ALA A 32 20.127 2.465 -7.448 1.00 0.62 C ATOM 490 C ALA A 32 19.326 3.459 -8.286 1.00 0.62 C ATOM 491 O ALA A 32 18.717 3.082 -9.284 1.00 0.62 O ATOM 492 CB ALA A 32 19.341 2.056 -6.208 1.00 0.62 C ATOM 0 H ALA A 32 21.553 3.140 -6.069 1.00 0.62 H new ATOM 0 HA ALA A 32 20.306 1.575 -8.051 1.00 0.62 H new ATOM 0 HB1 ALA A 32 18.380 1.637 -6.508 1.00 0.62 H new ATOM 0 HB2 ALA A 32 19.905 1.308 -5.650 1.00 0.62 H new ATOM 0 HB3 ALA A 32 19.175 2.930 -5.578 1.00 0.62 H new ATOM 498 N ALA A 33 19.341 4.735 -7.874 1.00 0.62 N ATOM 499 CA ALA A 33 18.627 5.791 -8.596 1.00 0.62 C ATOM 500 C ALA A 33 18.930 5.750 -10.087 1.00 0.62 C ATOM 501 O ALA A 33 18.023 5.601 -10.907 1.00 0.62 O ATOM 502 CB ALA A 33 18.950 7.160 -8.013 1.00 0.62 C ATOM 0 H ALA A 33 19.840 5.058 -7.045 1.00 0.62 H new ATOM 0 HA ALA A 33 17.559 5.611 -8.473 1.00 0.62 H new ATOM 0 HB1 ALA A 33 18.408 7.928 -8.565 1.00 0.62 H new ATOM 0 HB2 ALA A 33 18.652 7.189 -6.965 1.00 0.62 H new ATOM 0 HB3 ALA A 33 20.021 7.345 -8.091 1.00 0.62 H new ATOM 508 N GLN A 34 20.210 5.868 -10.433 -1.00 -0.85 N ATOM 509 CA GLN A 34 20.623 5.824 -11.830 -1.00 -0.85 C ATOM 510 C GLN A 34 20.321 4.451 -12.417 -1.00 -0.85 C ATOM 511 O GLN A 34 19.930 4.337 -13.579 -1.00 -0.85 O ATOM 512 CB GLN A 34 22.114 6.141 -11.967 -1.00 -0.85 C ATOM 513 CG GLN A 34 22.503 6.659 -13.343 -1.00 -0.85 C ATOM 514 CD GLN A 34 23.912 6.261 -13.743 -1.00 -0.85 C ATOM 515 OE1 GLN A 34 24.106 5.467 -14.664 -1.00 -0.85 O ATOM 516 NE2 GLN A 34 24.906 6.812 -13.053 -1.00 -0.85 N ATOM 0 H GLN A 34 20.973 5.994 -9.768 -1.00 -0.85 H new ATOM 0 HA GLN A 34 20.062 6.580 -12.380 -1.00 -0.85 H new ATOM 0 HB2 GLN A 34 22.389 6.883 -11.218 -1.00 -0.85 H new ATOM 0 HB3 GLN A 34 22.690 5.241 -11.751 -1.00 -0.85 H new ATOM 0 HG2 GLN A 34 21.799 6.278 -14.082 -1.00 -0.85 H new ATOM 0 HG3 GLN A 34 22.420 7.746 -13.354 -1.00 -0.85 H new ATOM 0 HE21 GLN A 34 24.701 7.465 -12.297 -1.00 -0.85 H new ATOM 0 HE22 GLN A 34 25.873 6.581 -13.280 -1.00 -0.85 H new ATOM 525 N ASN A 35 20.486 3.411 -11.594 -1.00 -0.78 N ATOM 526 CA ASN A 35 20.208 2.043 -12.025 -1.00 -0.78 C ATOM 527 C ASN A 35 18.741 1.875 -12.408 -1.00 -0.78 C ATOM 528 O ASN A 35 18.407 1.063 -13.271 -1.00 -0.78 O ATOM 529 CB ASN A 35 20.587 1.040 -10.931 -1.00 -0.78 C ATOM 530 CG ASN A 35 20.791 -0.361 -11.476 -1.00 -0.78 C ATOM 531 OD1 ASN A 35 21.896 -0.727 -11.878 -1.00 -0.78 O ATOM 532 ND2 ASN A 35 19.724 -1.155 -11.494 -1.00 -0.78 N ATOM 0 H ASN A 35 20.809 3.492 -10.630 -1.00 -0.78 H new ATOM 0 HA ASN A 35 20.817 1.844 -12.907 -1.00 -0.78 H new ATOM 0 HB2 ASN A 35 21.501 1.372 -10.438 -1.00 -0.78 H new ATOM 0 HB3 ASN A 35 19.805 1.021 -10.172 -1.00 -0.78 H new ATOM 0 HD21 ASN A 35 19.803 -2.107 -11.851 -1.00 -0.78 H new ATOM 0 HD22 ASN A 35 18.827 -0.812 -11.151 -1.00 -0.78 H new ATOM 539 N LEU A 36 17.874 2.669 -11.781 1.00 1.06 N ATOM 540 CA LEU A 36 16.448 2.641 -12.078 1.00 1.06 C ATOM 541 C LEU A 36 16.273 2.895 -13.560 1.00 1.06 C ATOM 542 O LEU A 36 15.575 2.163 -14.261 1.00 1.06 O ATOM 543 CB LEU A 36 15.694 3.694 -11.257 1.00 1.06 C ATOM 544 CG LEU A 36 14.179 3.483 -11.168 1.00 1.06 C ATOM 545 CD1 LEU A 36 13.677 3.782 -9.763 1.00 1.06 C ATOM 546 CD2 LEU A 36 13.458 4.353 -12.188 1.00 1.06 C ATOM 0 H LEU A 36 18.139 3.342 -11.061 1.00 1.06 H new ATOM 0 HA LEU A 36 16.034 1.668 -11.811 1.00 1.06 H new ATOM 0 HB2 LEU A 36 16.104 3.707 -10.247 1.00 1.06 H new ATOM 0 HB3 LEU A 36 15.884 4.676 -11.691 1.00 1.06 H new ATOM 0 HG LEU A 36 13.965 2.438 -11.393 1.00 1.06 H new ATOM 0 HD11 LEU A 36 12.599 3.626 -9.721 1.00 1.06 H new ATOM 0 HD12 LEU A 36 14.168 3.117 -9.052 1.00 1.06 H new ATOM 0 HD13 LEU A 36 13.904 4.817 -9.508 1.00 1.06 H new ATOM 0 HD21 LEU A 36 12.383 4.190 -12.110 1.00 1.06 H new ATOM 0 HD22 LEU A 36 13.681 5.402 -11.994 1.00 1.06 H new ATOM 0 HD23 LEU A 36 13.793 4.091 -13.192 1.00 1.06 H new ATOM 558 N TYR A 37 16.969 3.930 -14.029 -1.00 0.26 N ATOM 559 CA TYR A 37 16.965 4.285 -15.439 -1.00 0.26 C ATOM 560 C TYR A 37 17.576 3.148 -16.253 -1.00 0.26 C ATOM 561 O TYR A 37 17.125 2.848 -17.359 -1.00 0.26 O ATOM 562 CB TYR A 37 17.745 5.582 -15.676 -1.00 0.26 C ATOM 563 CG TYR A 37 16.873 6.816 -15.702 -1.00 0.26 C ATOM 564 CD1 TYR A 37 16.281 7.246 -16.883 -1.00 0.26 C ATOM 565 CD2 TYR A 37 16.642 7.551 -14.546 -1.00 0.26 C ATOM 566 CE1 TYR A 37 15.484 8.374 -16.912 -1.00 0.26 C ATOM 567 CE2 TYR A 37 15.844 8.679 -14.566 -1.00 0.26 C ATOM 568 CZ TYR A 37 15.269 9.087 -15.752 -1.00 0.26 C ATOM 569 OH TYR A 37 14.474 10.212 -15.775 -1.00 0.26 O ATOM 0 H TYR A 37 17.544 4.538 -13.446 -1.00 0.26 H new ATOM 0 HA TYR A 37 15.935 4.446 -15.757 -1.00 0.26 H new ATOM 0 HB2 TYR A 37 18.495 5.694 -14.893 -1.00 0.26 H new ATOM 0 HB3 TYR A 37 18.281 5.506 -16.622 -1.00 0.26 H new ATOM 0 HD1 TYR A 37 16.447 6.689 -17.793 -1.00 0.26 H new ATOM 0 HD2 TYR A 37 17.093 7.236 -13.617 -1.00 0.26 H new ATOM 0 HE1 TYR A 37 15.032 8.696 -17.839 -1.00 0.26 H new ATOM 0 HE2 TYR A 37 15.671 9.238 -13.658 -1.00 0.26 H new ATOM 0 HH TYR A 37 14.424 10.596 -14.875 -1.00 0.26 H new ATOM 579 N GLU A 38 18.624 2.524 -15.694 -1.00 -0.74 N ATOM 580 CA GLU A 38 19.316 1.404 -16.349 -1.00 -0.74 C ATOM 581 C GLU A 38 18.374 0.246 -16.664 -1.00 -0.74 C ATOM 582 O GLU A 38 18.177 -0.110 -17.827 -1.00 -0.74 O ATOM 583 CB GLU A 38 20.490 0.913 -15.494 -1.00 -0.74 C ATOM 584 CG GLU A 38 21.827 1.528 -15.882 -1.00 -0.74 C ATOM 585 CD GLU A 38 22.045 2.896 -15.263 -1.00 -0.74 C ATOM 586 OE1 GLU A 38 21.648 3.902 -15.889 -1.00 -0.74 O ATOM 587 OE2 GLU A 38 22.612 2.961 -14.151 -1.00 -0.74 O ATOM 0 H GLU A 38 19.012 2.778 -14.786 -1.00 -0.74 H new ATOM 0 HA GLU A 38 19.699 1.782 -17.297 -1.00 -0.74 H new ATOM 0 HB2 GLU A 38 20.286 1.139 -14.447 -1.00 -0.74 H new ATOM 0 HB3 GLU A 38 20.561 -0.171 -15.578 -1.00 -0.74 H new ATOM 0 HG2 GLU A 38 22.632 0.861 -15.573 -1.00 -0.74 H new ATOM 0 HG3 GLU A 38 21.882 1.612 -16.967 -1.00 -0.74 H new ATOM 594 N LYS A 39 17.810 -0.344 -15.607 -1.00 -1.50 N ATOM 595 CA LYS A 39 16.899 -1.481 -15.739 -1.00 -1.50 C ATOM 596 C LYS A 39 15.670 -1.151 -16.591 -1.00 -1.50 C ATOM 597 O LYS A 39 14.933 -2.057 -16.986 -1.00 -1.50 O ATOM 598 CB LYS A 39 16.460 -1.976 -14.354 -1.00 -1.50 C ATOM 599 CG LYS A 39 15.691 -0.943 -13.543 -1.00 -1.50 C ATOM 600 CD LYS A 39 14.222 -1.315 -13.416 -1.00 -1.50 C ATOM 601 CE LYS A 39 13.360 -0.098 -13.118 -1.00 -1.50 C ATOM 602 NZ LYS A 39 13.012 0.656 -14.356 -1.00 -1.50 N ATOM 0 H LYS A 39 17.971 -0.049 -14.644 -1.00 -1.50 H new ATOM 0 HA LYS A 39 17.448 -2.270 -16.253 -1.00 -1.50 H new ATOM 0 HB2 LYS A 39 15.838 -2.863 -14.477 -1.00 -1.50 H new ATOM 0 HB3 LYS A 39 17.343 -2.281 -13.792 -1.00 -1.50 H new ATOM 0 HG2 LYS A 39 16.133 -0.856 -12.550 -1.00 -1.50 H new ATOM 0 HG3 LYS A 39 15.780 0.034 -14.018 -1.00 -1.50 H new ATOM 0 HD2 LYS A 39 13.884 -1.784 -14.340 -1.00 -1.50 H new ATOM 0 HD3 LYS A 39 14.100 -2.051 -12.622 -1.00 -1.50 H new ATOM 0 HE2 LYS A 39 12.445 -0.415 -12.618 -1.00 -1.50 H new ATOM 0 HE3 LYS A 39 13.888 0.561 -12.429 -1.00 -1.50 H new ATOM 0 HZ1 LYS A 39 12.059 1.062 -14.259 -1.00 -1.50 H new ATOM 0 HZ2 LYS A 39 13.701 1.421 -14.502 -1.00 -1.50 H new ATOM 0 HZ3 LYS A 39 13.033 0.012 -15.172 -1.00 -1.50 H new ATOM 616 N THR A 40 15.452 0.135 -16.892 -0.70 -0.05 N ATOM 617 CA THR A 40 14.310 0.530 -17.717 -0.70 -0.05 C ATOM 618 C THR A 40 14.472 -0.023 -19.128 -0.70 -0.05 C ATOM 619 O THR A 40 13.565 -0.655 -19.672 -0.70 -0.05 O ATOM 620 CB THR A 40 14.167 2.057 -17.763 -0.70 -0.05 C ATOM 621 OG1 THR A 40 13.970 2.585 -16.464 -0.70 -0.05 O ATOM 622 CG2 THR A 40 13.013 2.527 -18.624 -0.70 -0.05 C ATOM 0 H THR A 40 16.042 0.907 -16.581 -0.70 -0.05 H new ATOM 0 HA THR A 40 13.406 0.117 -17.270 -0.70 -0.05 H new ATOM 0 HB THR A 40 15.099 2.417 -18.200 -0.70 -0.05 H new ATOM 0 HG1 THR A 40 14.743 2.368 -15.902 -0.70 -0.05 H new ATOM 0 HG21 THR A 40 12.970 3.616 -18.612 -0.70 -0.05 H new ATOM 0 HG22 THR A 40 13.158 2.181 -19.647 -0.70 -0.05 H new ATOM 0 HG23 THR A 40 12.079 2.123 -18.233 -0.70 -0.05 H new ATOM 630 N TYR A 41 15.646 0.218 -19.704 -1.00 0.26 N ATOM 631 CA TYR A 41 15.969 -0.253 -21.052 -1.00 0.26 C ATOM 632 C TYR A 41 16.038 -1.783 -21.108 -1.00 0.26 C ATOM 633 O TYR A 41 15.571 -2.395 -22.071 -1.00 0.26 O ATOM 634 CB TYR A 41 17.305 0.337 -21.533 -1.00 0.26 C ATOM 635 CG TYR A 41 17.596 1.733 -21.016 -1.00 0.26 C ATOM 636 CD1 TYR A 41 16.742 2.794 -21.293 -1.00 0.26 C ATOM 637 CD2 TYR A 41 18.726 1.985 -20.247 -1.00 0.26 C ATOM 638 CE1 TYR A 41 17.006 4.064 -20.820 -1.00 0.26 C ATOM 639 CE2 TYR A 41 18.997 3.253 -19.770 -1.00 0.26 C ATOM 640 CZ TYR A 41 18.135 4.289 -20.060 -1.00 0.26 C ATOM 641 OH TYR A 41 18.401 5.553 -19.587 -1.00 0.26 O ATOM 0 H TYR A 41 16.398 0.742 -19.255 -1.00 0.26 H new ATOM 0 HA TYR A 41 15.169 0.085 -21.711 -1.00 0.26 H new ATOM 0 HB2 TYR A 41 18.113 -0.327 -21.226 -1.00 0.26 H new ATOM 0 HB3 TYR A 41 17.307 0.359 -22.623 -1.00 0.26 H new ATOM 0 HD1 TYR A 41 15.857 2.622 -21.888 -1.00 0.26 H new ATOM 0 HD2 TYR A 41 19.404 1.176 -20.018 -1.00 0.26 H new ATOM 0 HE1 TYR A 41 16.332 4.877 -21.044 -1.00 0.26 H new ATOM 0 HE2 TYR A 41 19.879 3.432 -19.173 -1.00 0.26 H new ATOM 0 HH TYR A 41 19.233 5.540 -19.069 -1.00 0.26 H new ATOM 651 N LEU A 42 16.638 -2.388 -20.078 1.00 1.06 N ATOM 652 CA LEU A 42 16.792 -3.844 -20.010 1.00 1.06 C ATOM 653 C LEU A 42 15.449 -4.556 -19.817 1.00 1.06 C ATOM 654 O LEU A 42 14.547 -4.034 -19.159 1.00 1.06 O ATOM 655 CB LEU A 42 17.743 -4.220 -18.869 1.00 1.06 C ATOM 656 CG LEU A 42 19.233 -4.077 -19.191 1.00 1.06 C ATOM 657 CD1 LEU A 42 19.730 -2.689 -18.816 1.00 1.06 C ATOM 658 CD2 LEU A 42 20.038 -5.146 -18.468 1.00 1.06 C ATOM 0 H LEU A 42 17.026 -1.889 -19.277 1.00 1.06 H new ATOM 0 HA LEU A 42 17.209 -4.171 -20.962 1.00 1.06 H new ATOM 0 HB2 LEU A 42 17.513 -3.597 -18.005 1.00 1.06 H new ATOM 0 HB3 LEU A 42 17.547 -5.252 -18.579 1.00 1.06 H new ATOM 0 HG LEU A 42 19.368 -4.211 -20.264 1.00 1.06 H new ATOM 0 HD11 LEU A 42 20.791 -2.606 -19.052 1.00 1.06 H new ATOM 0 HD12 LEU A 42 19.174 -1.939 -19.378 1.00 1.06 H new ATOM 0 HD13 LEU A 42 19.582 -2.526 -17.748 1.00 1.06 H new ATOM 0 HD21 LEU A 42 21.095 -5.030 -18.708 1.00 1.06 H new ATOM 0 HD22 LEU A 42 19.897 -5.043 -17.392 1.00 1.06 H new ATOM 0 HD23 LEU A 42 19.700 -6.133 -18.785 1.00 1.06 H new ATOM 670 N PRO A 43 15.306 -5.769 -20.396 -1.00 0.12 N ATOM 671 CA PRO A 43 14.087 -6.571 -20.303 -1.00 0.12 C ATOM 672 C PRO A 43 14.113 -7.569 -19.136 -1.00 0.12 C ATOM 673 O PRO A 43 13.613 -8.690 -19.256 -1.00 0.12 O ATOM 674 CB PRO A 43 14.101 -7.302 -21.642 -1.00 0.12 C ATOM 675 CG PRO A 43 15.551 -7.542 -21.926 -1.00 0.12 C ATOM 676 CD PRO A 43 16.328 -6.462 -21.205 -1.00 0.12 C ATOM 0 HA PRO A 43 13.197 -5.970 -20.115 -1.00 0.12 H new ATOM 0 HB2 PRO A 43 13.547 -8.239 -21.588 -1.00 0.12 H new ATOM 0 HB3 PRO A 43 13.637 -6.703 -22.426 -1.00 0.12 H new ATOM 0 HG2 PRO A 43 15.853 -8.531 -21.580 -1.00 0.12 H new ATOM 0 HG3 PRO A 43 15.745 -7.506 -22.998 -1.00 0.12 H new ATOM 0 HD2 PRO A 43 17.113 -6.885 -20.579 -1.00 0.12 H new ATOM 0 HD3 PRO A 43 16.811 -5.782 -21.906 -1.00 0.12 H new ATOM 684 N ALA A 44 14.691 -7.150 -18.008 1.00 0.62 N ATOM 685 CA ALA A 44 14.784 -7.995 -16.812 1.00 0.62 C ATOM 686 C ALA A 44 13.409 -8.302 -16.204 1.00 0.62 C ATOM 687 O ALA A 44 13.283 -9.209 -15.385 1.00 0.62 O ATOM 688 CB ALA A 44 15.681 -7.336 -15.773 1.00 0.62 C ATOM 0 H ALA A 44 15.105 -6.224 -17.896 1.00 0.62 H new ATOM 0 HA ALA A 44 15.219 -8.945 -17.122 1.00 0.62 H new ATOM 0 HB1 ALA A 44 15.743 -7.972 -14.890 1.00 0.62 H new ATOM 0 HB2 ALA A 44 16.678 -7.196 -16.190 1.00 0.62 H new ATOM 0 HB3 ALA A 44 15.265 -6.368 -15.495 1.00 0.62 H new ATOM 694 N VAL A 45 12.392 -7.527 -16.596 1.00 1.08 N ATOM 695 CA VAL A 45 11.024 -7.687 -16.089 1.00 1.08 C ATOM 696 C VAL A 45 10.629 -9.157 -15.930 1.00 1.08 C ATOM 697 O VAL A 45 10.252 -9.590 -14.840 1.00 1.08 O ATOM 698 CB VAL A 45 9.997 -6.989 -17.013 1.00 1.08 C ATOM 699 CG1 VAL A 45 8.578 -7.188 -16.496 1.00 1.08 C ATOM 700 CG2 VAL A 45 10.317 -5.507 -17.150 1.00 1.08 C ATOM 0 H VAL A 45 12.494 -6.771 -17.273 1.00 1.08 H new ATOM 0 HA VAL A 45 11.012 -7.217 -15.106 1.00 1.08 H new ATOM 0 HB VAL A 45 10.064 -7.446 -18.000 1.00 1.08 H new ATOM 0 HG11 VAL A 45 7.875 -6.688 -17.162 1.00 1.08 H new ATOM 0 HG12 VAL A 45 8.350 -8.253 -16.460 1.00 1.08 H new ATOM 0 HG13 VAL A 45 8.493 -6.765 -15.495 1.00 1.08 H new ATOM 0 HG21 VAL A 45 9.583 -5.035 -17.804 1.00 1.08 H new ATOM 0 HG22 VAL A 45 10.285 -5.035 -16.168 1.00 1.08 H new ATOM 0 HG23 VAL A 45 11.313 -5.388 -17.577 1.00 1.08 H new ATOM 710 N ASP A 46 10.708 -9.913 -17.023 -1.00 -0.90 N ATOM 711 CA ASP A 46 10.346 -11.331 -17.011 -1.00 -0.90 C ATOM 712 C ASP A 46 11.358 -12.175 -16.234 -1.00 -0.90 C ATOM 713 O ASP A 46 10.989 -13.169 -15.608 -1.00 -0.90 O ATOM 714 CB ASP A 46 10.226 -11.859 -18.445 -1.00 -0.90 C ATOM 715 CG ASP A 46 9.186 -11.108 -19.255 -1.00 -0.90 C ATOM 716 OD1 ASP A 46 8.003 -11.508 -19.222 -1.00 -0.90 O ATOM 717 OD2 ASP A 46 9.555 -10.118 -19.923 -1.00 -0.90 O ATOM 0 H ASP A 46 11.020 -9.568 -17.931 -1.00 -0.90 H new ATOM 0 HA ASP A 46 9.384 -11.415 -16.506 -1.00 -0.90 H new ATOM 0 HB2 ASP A 46 11.194 -11.780 -18.940 -1.00 -0.90 H new ATOM 0 HB3 ASP A 46 9.967 -12.917 -18.419 -1.00 -0.90 H new ATOM 722 N GLU A 47 12.633 -11.778 -16.277 -1.00 -0.74 N ATOM 723 CA GLU A 47 13.690 -12.513 -15.572 -1.00 -0.74 C ATOM 724 C GLU A 47 13.520 -12.398 -14.058 -1.00 -0.74 C ATOM 725 O GLU A 47 13.433 -13.408 -13.360 -1.00 -0.74 O ATOM 726 CB GLU A 47 15.071 -11.991 -15.986 -1.00 -0.74 C ATOM 727 CG GLU A 47 15.510 -12.447 -17.369 -1.00 -0.74 C ATOM 728 CD GLU A 47 15.095 -11.482 -18.464 -1.00 -0.74 C ATOM 729 OE1 GLU A 47 13.964 -11.615 -18.977 -1.00 -0.74 O ATOM 730 OE2 GLU A 47 15.902 -10.591 -18.808 -1.00 -0.74 O ATOM 0 H GLU A 47 12.958 -10.958 -16.789 -1.00 -0.74 H new ATOM 0 HA GLU A 47 13.611 -13.564 -15.848 -1.00 -0.74 H new ATOM 0 HB2 GLU A 47 15.060 -10.901 -15.959 -1.00 -0.74 H new ATOM 0 HB3 GLU A 47 15.808 -12.321 -15.254 -1.00 -0.74 H new ATOM 0 HG2 GLU A 47 16.594 -12.561 -17.382 -1.00 -0.74 H new ATOM 0 HG3 GLU A 47 15.084 -13.429 -17.575 -1.00 -0.74 H new ATOM 737 N LYS A 48 13.470 -11.158 -13.563 -1.00 -1.50 N ATOM 738 CA LYS A 48 13.306 -10.888 -12.132 -1.00 -1.50 C ATOM 739 C LYS A 48 12.051 -11.563 -11.573 -1.00 -1.50 C ATOM 740 O LYS A 48 12.011 -11.930 -10.397 -1.00 -1.50 O ATOM 741 CB LYS A 48 13.239 -9.378 -11.884 -1.00 -1.50 C ATOM 742 CG LYS A 48 13.665 -8.968 -10.482 -1.00 -1.50 C ATOM 743 CD LYS A 48 14.422 -7.649 -10.494 -1.00 -1.50 C ATOM 744 CE LYS A 48 13.484 -6.464 -10.684 -1.00 -1.50 C ATOM 745 NZ LYS A 48 14.000 -5.499 -11.696 -1.00 -1.50 N ATOM 0 H LYS A 48 13.541 -10.319 -14.138 -1.00 -1.50 H new ATOM 0 HA LYS A 48 14.171 -11.303 -11.615 -1.00 -1.50 H new ATOM 0 HB2 LYS A 48 13.875 -8.871 -12.610 -1.00 -1.50 H new ATOM 0 HB3 LYS A 48 12.219 -9.035 -12.059 -1.00 -1.50 H new ATOM 0 HG2 LYS A 48 12.785 -8.878 -9.845 -1.00 -1.50 H new ATOM 0 HG3 LYS A 48 14.294 -9.746 -10.049 -1.00 -1.50 H new ATOM 0 HD2 LYS A 48 14.969 -7.534 -9.558 -1.00 -1.50 H new ATOM 0 HD3 LYS A 48 15.161 -7.661 -11.295 -1.00 -1.50 H new ATOM 0 HE2 LYS A 48 12.503 -6.824 -10.994 -1.00 -1.50 H new ATOM 0 HE3 LYS A 48 13.349 -5.952 -9.731 -1.00 -1.50 H new ATOM 0 HZ1 LYS A 48 13.332 -4.708 -11.794 -1.00 -1.50 H new ATOM 0 HZ2 LYS A 48 14.924 -5.135 -11.389 -1.00 -1.50 H new ATOM 0 HZ3 LYS A 48 14.105 -5.980 -12.612 -1.00 -1.50 H new ATOM 759 N LEU A 49 11.033 -11.736 -12.422 1.00 1.06 N ATOM 760 CA LEU A 49 9.788 -12.379 -12.010 1.00 1.06 C ATOM 761 C LEU A 49 10.059 -13.822 -11.612 1.00 1.06 C ATOM 762 O LEU A 49 9.873 -14.202 -10.454 1.00 1.06 O ATOM 763 CB LEU A 49 8.749 -12.323 -13.139 1.00 1.06 C ATOM 764 CG LEU A 49 7.468 -11.548 -12.811 1.00 1.06 C ATOM 765 CD1 LEU A 49 6.742 -12.182 -11.635 1.00 1.06 C ATOM 766 CD2 LEU A 49 7.786 -10.086 -12.522 1.00 1.06 C ATOM 0 H LEU A 49 11.050 -11.439 -13.398 1.00 1.06 H new ATOM 0 HA LEU A 49 9.386 -11.843 -11.151 1.00 1.06 H new ATOM 0 HB2 LEU A 49 9.213 -11.871 -14.016 1.00 1.06 H new ATOM 0 HB3 LEU A 49 8.478 -13.343 -13.412 1.00 1.06 H new ATOM 0 HG LEU A 49 6.811 -11.591 -13.679 1.00 1.06 H new ATOM 0 HD11 LEU A 49 5.836 -11.616 -11.419 1.00 1.06 H new ATOM 0 HD12 LEU A 49 6.478 -13.210 -11.882 1.00 1.06 H new ATOM 0 HD13 LEU A 49 7.391 -12.175 -10.760 1.00 1.06 H new ATOM 0 HD21 LEU A 49 6.864 -9.552 -12.291 1.00 1.06 H new ATOM 0 HD22 LEU A 49 8.465 -10.023 -11.672 1.00 1.06 H new ATOM 0 HD23 LEU A 49 8.257 -9.636 -13.396 1.00 1.06 H new ATOM 778 N ARG A 50 10.530 -14.614 -12.576 -1.00 -2.53 N ATOM 779 CA ARG A 50 10.864 -16.011 -12.326 -1.00 -2.53 C ATOM 780 C ARG A 50 12.002 -16.116 -11.309 -1.00 -2.53 C ATOM 781 O ARG A 50 12.091 -17.095 -10.568 -1.00 -2.53 O ATOM 782 CB ARG A 50 11.262 -16.707 -13.631 -1.00 -2.53 C ATOM 783 CG ARG A 50 10.986 -18.202 -13.633 -1.00 -2.53 C ATOM 784 CD ARG A 50 11.268 -18.821 -14.994 -1.00 -2.53 C ATOM 785 NE ARG A 50 10.327 -18.358 -16.016 -1.00 -2.53 N ATOM 786 CZ ARG A 50 9.088 -18.837 -16.169 -1.00 -2.53 C ATOM 787 NH1 ARG A 50 8.628 -19.796 -15.369 -1.00 -2.53 N ATOM 788 NH2 ARG A 50 8.306 -18.352 -17.127 -1.00 -2.53 N ATOM 0 H ARG A 50 10.688 -14.309 -13.536 -1.00 -2.53 H new ATOM 0 HA ARG A 50 9.983 -16.506 -11.918 -1.00 -2.53 H new ATOM 0 HB2 ARG A 50 10.723 -16.245 -14.458 -1.00 -2.53 H new ATOM 0 HB3 ARG A 50 12.324 -16.542 -13.812 -1.00 -2.53 H new ATOM 0 HG2 ARG A 50 11.603 -18.688 -12.877 -1.00 -2.53 H new ATOM 0 HG3 ARG A 50 9.946 -18.381 -13.359 -1.00 -2.53 H new ATOM 0 HD2 ARG A 50 12.285 -18.575 -15.300 -1.00 -2.53 H new ATOM 0 HD3 ARG A 50 11.213 -19.907 -14.916 -1.00 -2.53 H new ATOM 0 HE ARG A 50 10.637 -17.623 -16.652 -1.00 -2.53 H new ATOM 0 HH11 ARG A 50 9.222 -20.173 -14.630 -1.00 -2.53 H new ATOM 0 HH12 ARG A 50 7.681 -20.154 -15.494 -1.00 -2.53 H new ATOM 0 HH21 ARG A 50 8.651 -17.616 -17.743 -1.00 -2.53 H new ATOM 0 HH22 ARG A 50 7.360 -18.715 -17.246 -1.00 -2.53 H new ATOM 802 N ASP A 51 12.868 -15.094 -11.282 -1.00 -0.90 N ATOM 803 CA ASP A 51 13.999 -15.063 -10.355 -1.00 -0.90 C ATOM 804 C ASP A 51 13.530 -15.206 -8.910 -1.00 -0.90 C ATOM 805 O ASP A 51 14.017 -16.067 -8.174 -1.00 -0.90 O ATOM 806 CB ASP A 51 14.801 -13.768 -10.519 -1.00 -0.90 C ATOM 807 CG ASP A 51 16.086 -13.974 -11.300 -1.00 -0.90 C ATOM 808 OD1 ASP A 51 17.008 -14.625 -10.766 -1.00 -0.90 O ATOM 809 OD2 ASP A 51 16.171 -13.482 -12.445 -1.00 -0.90 O ATOM 0 H ASP A 51 12.804 -14.280 -11.893 -1.00 -0.90 H new ATOM 0 HA ASP A 51 14.644 -15.909 -10.594 -1.00 -0.90 H new ATOM 0 HB2 ASP A 51 14.186 -13.026 -11.027 -1.00 -0.90 H new ATOM 0 HB3 ASP A 51 15.039 -13.365 -9.535 -1.00 -0.90 H new ATOM 814 N LEU A 52 12.579 -14.360 -8.513 1.00 1.06 N ATOM 815 CA LEU A 52 12.034 -14.391 -7.157 1.00 1.06 C ATOM 816 C LEU A 52 11.361 -15.732 -6.862 1.00 1.06 C ATOM 817 O LEU A 52 11.370 -16.195 -5.722 1.00 1.06 O ATOM 818 CB LEU A 52 11.031 -13.249 -6.958 1.00 1.06 C ATOM 819 CG LEU A 52 11.612 -11.976 -6.337 1.00 1.06 C ATOM 820 CD1 LEU A 52 12.338 -11.149 -7.389 1.00 1.06 C ATOM 821 CD2 LEU A 52 10.513 -11.156 -5.677 1.00 1.06 C ATOM 0 H LEU A 52 12.170 -13.644 -9.113 1.00 1.06 H new ATOM 0 HA LEU A 52 12.864 -14.264 -6.462 1.00 1.06 H new ATOM 0 HB2 LEU A 52 10.595 -12.997 -7.924 1.00 1.06 H new ATOM 0 HB3 LEU A 52 10.219 -13.606 -6.325 1.00 1.06 H new ATOM 0 HG LEU A 52 12.333 -12.265 -5.572 1.00 1.06 H new ATOM 0 HD11 LEU A 52 12.744 -10.249 -6.928 1.00 1.06 H new ATOM 0 HD12 LEU A 52 13.151 -11.736 -7.816 1.00 1.06 H new ATOM 0 HD13 LEU A 52 11.640 -10.869 -8.178 1.00 1.06 H new ATOM 0 HD21 LEU A 52 10.944 -10.255 -5.241 1.00 1.06 H new ATOM 0 HD22 LEU A 52 9.769 -10.878 -6.423 1.00 1.06 H new ATOM 0 HD23 LEU A 52 10.038 -11.747 -4.894 1.00 1.06 H new ATOM 833 N TYR A 53 10.787 -16.355 -7.896 -1.00 0.26 N ATOM 834 CA TYR A 53 10.118 -17.647 -7.741 -1.00 0.26 C ATOM 835 C TYR A 53 11.128 -18.745 -7.409 -1.00 0.26 C ATOM 836 O TYR A 53 10.899 -19.556 -6.509 -1.00 0.26 O ATOM 837 CB TYR A 53 9.344 -18.009 -9.012 -1.00 0.26 C ATOM 838 CG TYR A 53 8.014 -17.294 -9.139 -1.00 0.26 C ATOM 839 CD1 TYR A 53 7.018 -17.463 -8.185 -1.00 0.26 C ATOM 840 CD2 TYR A 53 7.757 -16.451 -10.212 -1.00 0.26 C ATOM 841 CE1 TYR A 53 5.805 -16.812 -8.297 -1.00 0.26 C ATOM 842 CE2 TYR A 53 6.546 -15.796 -10.332 -1.00 0.26 C ATOM 843 CZ TYR A 53 5.574 -15.979 -9.372 -1.00 0.26 C ATOM 844 OH TYR A 53 4.367 -15.329 -9.488 -1.00 0.26 O ATOM 0 H TYR A 53 10.773 -15.985 -8.847 -1.00 0.26 H new ATOM 0 HA TYR A 53 9.413 -17.564 -6.914 -1.00 0.26 H new ATOM 0 HB2 TYR A 53 9.958 -17.772 -9.881 -1.00 0.26 H new ATOM 0 HB3 TYR A 53 9.171 -19.085 -9.028 -1.00 0.26 H new ATOM 0 HD1 TYR A 53 7.195 -18.114 -7.342 -1.00 0.26 H new ATOM 0 HD2 TYR A 53 8.517 -16.305 -10.966 -1.00 0.26 H new ATOM 0 HE1 TYR A 53 5.041 -16.954 -7.547 -1.00 0.26 H new ATOM 0 HE2 TYR A 53 6.362 -15.144 -11.173 -1.00 0.26 H new ATOM 0 HH TYR A 53 4.367 -14.781 -10.300 -1.00 0.26 H new ATOM 854 N SER A 54 12.248 -18.758 -8.137 -0.80 -0.18 N ATOM 855 CA SER A 54 13.302 -19.749 -7.917 -0.80 -0.18 C ATOM 856 C SER A 54 13.863 -19.635 -6.500 -0.80 -0.18 C ATOM 857 O SER A 54 13.956 -20.629 -5.779 -0.80 -0.18 O ATOM 858 CB SER A 54 14.427 -19.571 -8.943 -0.80 -0.18 C ATOM 859 OG SER A 54 13.926 -19.635 -10.267 -0.80 -0.18 O ATOM 0 H SER A 54 12.447 -18.093 -8.884 -0.80 -0.18 H new ATOM 0 HA SER A 54 12.867 -20.741 -8.040 -0.80 -0.18 H new ATOM 0 HB2 SER A 54 14.920 -18.612 -8.784 -0.80 -0.18 H new ATOM 0 HB3 SER A 54 15.181 -20.345 -8.798 -0.80 -0.18 H new ATOM 0 HG SER A 54 13.378 -18.843 -10.448 -0.80 -0.18 H new ATOM 865 N LYS A 55 14.225 -18.411 -6.108 -1.00 -1.50 N ATOM 866 CA LYS A 55 14.765 -18.153 -4.773 -1.00 -1.50 C ATOM 867 C LYS A 55 13.741 -18.507 -3.692 -1.00 -1.50 C ATOM 868 O LYS A 55 14.092 -19.080 -2.658 -1.00 -1.50 O ATOM 869 CB LYS A 55 15.178 -16.684 -4.641 -1.00 -1.50 C ATOM 870 CG LYS A 55 16.223 -16.436 -3.563 -1.00 -1.50 C ATOM 871 CD LYS A 55 15.933 -15.164 -2.783 -1.00 -1.50 C ATOM 872 CE LYS A 55 15.022 -15.434 -1.595 -1.00 -1.50 C ATOM 873 NZ LYS A 55 14.586 -14.175 -0.926 -1.00 -1.50 N ATOM 0 H LYS A 55 14.153 -17.582 -6.698 -1.00 -1.50 H new ATOM 0 HA LYS A 55 15.644 -18.783 -4.636 -1.00 -1.50 H new ATOM 0 HB2 LYS A 55 15.568 -16.338 -5.598 -1.00 -1.50 H new ATOM 0 HB3 LYS A 55 14.294 -16.086 -4.422 -1.00 -1.50 H new ATOM 0 HG2 LYS A 55 16.249 -17.284 -2.879 -1.00 -1.50 H new ATOM 0 HG3 LYS A 55 17.209 -16.365 -4.021 -1.00 -1.50 H new ATOM 0 HD2 LYS A 55 16.869 -14.729 -2.433 -1.00 -1.50 H new ATOM 0 HD3 LYS A 55 15.467 -14.431 -3.441 -1.00 -1.50 H new ATOM 0 HE2 LYS A 55 14.145 -15.989 -1.929 -1.00 -1.50 H new ATOM 0 HE3 LYS A 55 15.543 -16.065 -0.875 -1.00 -1.50 H new ATOM 0 HZ1 LYS A 55 13.967 -14.405 -0.122 -1.00 -1.50 H new ATOM 0 HZ2 LYS A 55 15.420 -13.657 -0.583 -1.00 -1.50 H new ATOM 0 HZ3 LYS A 55 14.066 -13.583 -1.605 -1.00 -1.50 H new ATOM 887 N SER A 56 12.477 -18.151 -3.938 -0.80 -0.18 N ATOM 888 CA SER A 56 11.390 -18.416 -2.991 -0.80 -0.18 C ATOM 889 C SER A 56 11.163 -19.918 -2.748 -0.80 -0.18 C ATOM 890 O SER A 56 10.513 -20.290 -1.771 -0.80 -0.18 O ATOM 891 CB SER A 56 10.090 -17.775 -3.484 -0.80 -0.18 C ATOM 892 OG SER A 56 10.047 -16.396 -3.162 -0.80 -0.18 O ATOM 0 H SER A 56 12.180 -17.676 -4.790 -0.80 -0.18 H new ATOM 0 HA SER A 56 11.689 -17.974 -2.041 -0.80 -0.18 H new ATOM 0 HB2 SER A 56 10.005 -17.902 -4.563 -0.80 -0.18 H new ATOM 0 HB3 SER A 56 9.237 -18.283 -3.034 -0.80 -0.18 H new ATOM 0 HG SER A 56 10.448 -15.877 -3.890 -0.80 -0.18 H new ATOM 898 N THR A 57 11.686 -20.780 -3.627 -0.70 -0.05 N ATOM 899 CA THR A 57 11.510 -22.223 -3.470 -0.70 -0.05 C ATOM 900 C THR A 57 12.064 -22.697 -2.127 -0.70 -0.05 C ATOM 901 O THR A 57 11.335 -23.272 -1.319 -0.70 -0.05 O ATOM 902 CB THR A 57 12.191 -22.977 -4.618 -0.70 -0.05 C ATOM 903 OG1 THR A 57 11.764 -22.478 -5.876 -0.70 -0.05 O ATOM 904 CG2 THR A 57 11.923 -24.468 -4.602 -0.70 -0.05 C ATOM 0 H THR A 57 12.229 -20.505 -4.446 -0.70 -0.05 H new ATOM 0 HA THR A 57 10.441 -22.436 -3.496 -0.70 -0.05 H new ATOM 0 HB THR A 57 13.259 -22.814 -4.471 -0.70 -0.05 H new ATOM 0 HG1 THR A 57 12.361 -21.755 -6.161 -0.70 -0.05 H new ATOM 0 HG21 THR A 57 12.435 -24.939 -5.441 -0.70 -0.05 H new ATOM 0 HG22 THR A 57 12.290 -24.894 -3.668 -0.70 -0.05 H new ATOM 0 HG23 THR A 57 10.851 -24.646 -4.685 -0.70 -0.05 H new ATOM 912 N ALA A 58 13.351 -22.448 -1.893 1.00 0.62 N ATOM 913 CA ALA A 58 13.997 -22.846 -0.644 1.00 0.62 C ATOM 914 C ALA A 58 13.860 -21.764 0.430 1.00 0.62 C ATOM 915 O ALA A 58 13.596 -22.067 1.595 1.00 0.62 O ATOM 916 CB ALA A 58 15.465 -23.166 -0.888 1.00 0.62 C ATOM 0 H ALA A 58 13.967 -21.972 -2.552 1.00 0.62 H new ATOM 0 HA ALA A 58 13.493 -23.741 -0.279 1.00 0.62 H new ATOM 0 HB1 ALA A 58 15.934 -23.461 0.051 1.00 0.62 H new ATOM 0 HB2 ALA A 58 15.545 -23.982 -1.606 1.00 0.62 H new ATOM 0 HB3 ALA A 58 15.969 -22.284 -1.284 1.00 0.62 H new ATOM 922 N ALA A 59 14.057 -20.505 0.031 1.00 0.62 N ATOM 923 CA ALA A 59 13.974 -19.372 0.955 1.00 0.62 C ATOM 924 C ALA A 59 12.577 -19.219 1.560 1.00 0.62 C ATOM 925 O ALA A 59 12.416 -19.277 2.782 1.00 0.62 O ATOM 926 CB ALA A 59 14.386 -18.086 0.251 1.00 0.62 C ATOM 0 H ALA A 59 14.276 -20.244 -0.930 1.00 0.62 H new ATOM 0 HA ALA A 59 14.663 -19.573 1.776 1.00 0.62 H new ATOM 0 HB1 ALA A 59 14.320 -17.252 0.949 1.00 0.62 H new ATOM 0 HB2 ALA A 59 15.411 -18.179 -0.107 1.00 0.62 H new ATOM 0 HB3 ALA A 59 13.722 -17.905 -0.594 1.00 0.62 H new ATOM 932 N MET A 60 11.575 -19.011 0.703 1.00 0.64 N ATOM 933 CA MET A 60 10.192 -18.834 1.155 1.00 0.64 C ATOM 934 C MET A 60 9.660 -20.071 1.885 1.00 0.64 C ATOM 935 O MET A 60 8.747 -19.959 2.699 1.00 0.64 O ATOM 936 CB MET A 60 9.278 -18.492 -0.025 1.00 0.64 C ATOM 937 CG MET A 60 8.154 -17.533 0.335 1.00 0.64 C ATOM 938 SD MET A 60 6.671 -17.799 -0.654 1.00 0.64 S ATOM 939 CE MET A 60 5.412 -17.145 0.439 1.00 0.64 C ATOM 0 H MET A 60 11.695 -18.961 -0.309 1.00 0.64 H new ATOM 0 HA MET A 60 10.193 -18.005 1.863 1.00 0.64 H new ATOM 0 HB2 MET A 60 9.877 -18.053 -0.823 1.00 0.64 H new ATOM 0 HB3 MET A 60 8.847 -19.412 -0.419 1.00 0.64 H new ATOM 0 HG2 MET A 60 7.908 -17.648 1.391 1.00 0.64 H new ATOM 0 HG3 MET A 60 8.498 -16.508 0.198 1.00 0.64 H new ATOM 0 HE1 MET A 60 4.589 -16.744 -0.153 1.00 0.64 H new ATOM 0 HE2 MET A 60 5.041 -17.941 1.084 1.00 0.64 H new ATOM 0 HE3 MET A 60 5.839 -16.351 1.052 1.00 0.64 H new ATOM 949 N SER A 61 10.231 -21.246 1.604 -0.80 -0.18 N ATOM 950 CA SER A 61 9.795 -22.484 2.256 -0.80 -0.18 C ATOM 951 C SER A 61 10.124 -22.473 3.754 -0.80 -0.18 C ATOM 952 O SER A 61 9.541 -23.233 4.529 -0.80 -0.18 O ATOM 953 CB SER A 61 10.446 -23.697 1.586 -0.80 -0.18 C ATOM 954 OG SER A 61 9.998 -24.909 2.170 -0.80 -0.18 O ATOM 0 H SER A 61 10.991 -21.366 0.934 -0.80 -0.18 H new ATOM 0 HA SER A 61 8.713 -22.553 2.147 -0.80 -0.18 H new ATOM 0 HB2 SER A 61 10.213 -23.696 0.521 -0.80 -0.18 H new ATOM 0 HB3 SER A 61 11.530 -23.626 1.675 -0.80 -0.18 H new ATOM 0 HG SER A 61 10.429 -25.667 1.722 -0.80 -0.18 H new ATOM 960 N THR A 62 11.051 -21.597 4.156 -0.70 -0.05 N ATOM 961 CA THR A 62 11.448 -21.476 5.556 -0.70 -0.05 C ATOM 962 C THR A 62 10.765 -20.272 6.203 -0.70 -0.05 C ATOM 963 O THR A 62 10.177 -20.386 7.278 -0.70 -0.05 O ATOM 964 CB THR A 62 12.971 -21.339 5.671 -0.70 -0.05 C ATOM 965 OG1 THR A 62 13.626 -22.311 4.874 -0.70 -0.05 O ATOM 966 CG2 THR A 62 13.481 -21.491 7.088 -0.70 -0.05 C ATOM 0 H THR A 62 11.540 -20.961 3.526 -0.70 -0.05 H new ATOM 0 HA THR A 62 11.136 -22.380 6.080 -0.70 -0.05 H new ATOM 0 HB THR A 62 13.195 -20.329 5.326 -0.70 -0.05 H new ATOM 0 HG1 THR A 62 13.543 -22.068 3.928 -0.70 -0.05 H new ATOM 0 HG21 THR A 62 14.566 -21.383 7.098 -0.70 -0.05 H new ATOM 0 HG22 THR A 62 13.034 -20.723 7.720 -0.70 -0.05 H new ATOM 0 HG23 THR A 62 13.211 -22.476 7.468 -0.70 -0.05 H new ATOM 974 N TYR A 63 10.837 -19.122 5.527 -1.00 0.26 N ATOM 975 CA TYR A 63 10.227 -17.894 6.007 -1.00 0.26 C ATOM 976 C TYR A 63 8.708 -18.016 6.047 -1.00 0.26 C ATOM 977 O TYR A 63 8.051 -17.271 6.764 -1.00 0.26 O ATOM 978 CB TYR A 63 10.631 -16.714 5.115 -1.00 0.26 C ATOM 979 CG TYR A 63 12.001 -16.146 5.429 -1.00 0.26 C ATOM 980 CD1 TYR A 63 13.110 -16.975 5.558 -1.00 0.26 C ATOM 981 CD2 TYR A 63 12.183 -14.778 5.592 -1.00 0.26 C ATOM 982 CE1 TYR A 63 14.358 -16.456 5.842 -1.00 0.26 C ATOM 983 CE2 TYR A 63 13.429 -14.253 5.876 -1.00 0.26 C ATOM 984 CZ TYR A 63 14.513 -15.096 5.999 -1.00 0.26 C ATOM 985 OH TYR A 63 15.756 -14.576 6.282 -1.00 0.26 O ATOM 0 H TYR A 63 11.320 -19.023 4.634 -1.00 0.26 H new ATOM 0 HA TYR A 63 10.585 -17.716 7.021 -1.00 0.26 H new ATOM 0 HB2 TYR A 63 10.612 -17.036 4.074 -1.00 0.26 H new ATOM 0 HB3 TYR A 63 9.888 -15.923 5.218 -1.00 0.26 H new ATOM 0 HD1 TYR A 63 12.994 -18.042 5.434 -1.00 0.26 H new ATOM 0 HD2 TYR A 63 11.337 -14.114 5.495 -1.00 0.26 H new ATOM 0 HE1 TYR A 63 15.209 -17.114 5.941 -1.00 0.26 H new ATOM 0 HE2 TYR A 63 13.553 -13.187 6.001 -1.00 0.26 H new ATOM 0 HH TYR A 63 15.693 -13.601 6.361 -1.00 0.26 H new ATOM 995 N THR A 64 8.147 -18.963 5.288 -0.70 -0.05 N ATOM 996 CA THR A 64 6.699 -19.156 5.281 -0.70 -0.05 C ATOM 997 C THR A 64 6.250 -19.723 6.617 -0.70 -0.05 C ATOM 998 O THR A 64 5.456 -19.103 7.325 -0.70 -0.05 O ATOM 999 CB THR A 64 6.261 -20.069 4.123 -0.70 -0.05 C ATOM 1000 OG1 THR A 64 6.177 -19.335 2.912 -0.70 -0.05 O ATOM 1001 CG2 THR A 64 4.917 -20.735 4.343 -0.70 -0.05 C ATOM 0 H THR A 64 8.666 -19.597 4.681 -0.70 -0.05 H new ATOM 0 HA THR A 64 6.222 -18.188 5.129 -0.70 -0.05 H new ATOM 0 HB THR A 64 7.025 -20.845 4.072 -0.70 -0.05 H new ATOM 0 HG1 THR A 64 7.056 -19.316 2.479 -0.70 -0.05 H new ATOM 0 HG21 THR A 64 4.677 -21.362 3.484 -0.70 -0.05 H new ATOM 0 HG22 THR A 64 4.959 -21.350 5.242 -0.70 -0.05 H new ATOM 0 HG23 THR A 64 4.148 -19.972 4.461 -0.70 -0.05 H new ATOM 1009 N GLY A 65 6.792 -20.885 6.972 -0.40 0.48 N ATOM 1010 CA GLY A 65 6.462 -21.491 8.246 -0.40 0.48 C ATOM 1011 C GLY A 65 6.928 -20.624 9.399 -0.40 0.48 C ATOM 1012 O GLY A 65 6.239 -20.505 10.412 -0.40 0.48 O ATOM 0 H GLY A 65 7.451 -21.414 6.401 -0.40 0.48 H new ATOM 0 HA2 GLY A 65 5.385 -21.642 8.312 -0.40 0.48 H new ATOM 0 HA3 GLY A 65 6.926 -22.475 8.316 -0.40 0.48 H new ATOM 1016 N ILE A 66 8.098 -20.000 9.225 1.00 1.38 N ATOM 1017 CA ILE A 66 8.667 -19.111 10.237 1.00 1.38 C ATOM 1018 C ILE A 66 7.768 -17.896 10.455 1.00 1.38 C ATOM 1019 O ILE A 66 7.323 -17.636 11.572 1.00 1.38 O ATOM 1020 CB ILE A 66 10.093 -18.644 9.851 1.00 1.38 C ATOM 1021 CG1 ILE A 66 11.096 -19.792 10.027 1.00 1.38 C ATOM 1022 CG2 ILE A 66 10.515 -17.433 10.678 1.00 1.38 C ATOM 1023 CD1 ILE A 66 11.311 -20.202 11.469 1.00 1.38 C ATOM 0 H ILE A 66 8.670 -20.097 8.386 1.00 1.38 H new ATOM 0 HA ILE A 66 8.734 -19.679 11.165 1.00 1.38 H new ATOM 0 HB ILE A 66 10.082 -18.348 8.802 1.00 1.38 H new ATOM 0 HG12 ILE A 66 10.747 -20.656 9.462 1.00 1.38 H new ATOM 0 HG13 ILE A 66 12.053 -19.495 9.597 1.00 1.38 H new ATOM 0 HG21 ILE A 66 11.520 -17.126 10.387 1.00 1.38 H new ATOM 0 HG22 ILE A 66 9.819 -16.612 10.503 1.00 1.38 H new ATOM 0 HG23 ILE A 66 10.508 -17.695 11.736 1.00 1.38 H new ATOM 0 HD11 ILE A 66 12.032 -21.018 11.512 1.00 1.38 H new ATOM 0 HD12 ILE A 66 11.691 -19.352 12.036 1.00 1.38 H new ATOM 0 HD13 ILE A 66 10.365 -20.531 11.899 1.00 1.38 H new ATOM 1035 N PHE A 67 7.508 -17.156 9.373 1.00 1.19 N ATOM 1036 CA PHE A 67 6.654 -15.963 9.437 1.00 1.19 C ATOM 1037 C PHE A 67 5.336 -16.275 10.139 1.00 1.19 C ATOM 1038 O PHE A 67 4.959 -15.600 11.098 1.00 1.19 O ATOM 1039 CB PHE A 67 6.377 -15.405 8.036 1.00 1.19 C ATOM 1040 CG PHE A 67 7.425 -14.440 7.544 1.00 1.19 C ATOM 1041 CD1 PHE A 67 8.746 -14.551 7.953 1.00 1.19 C ATOM 1042 CD2 PHE A 67 7.084 -13.420 6.669 1.00 1.19 C ATOM 1043 CE1 PHE A 67 9.705 -13.665 7.499 1.00 1.19 C ATOM 1044 CE2 PHE A 67 8.039 -12.532 6.213 1.00 1.19 C ATOM 1045 CZ PHE A 67 9.350 -12.654 6.629 1.00 1.19 C ATOM 0 H PHE A 67 7.875 -17.360 8.444 1.00 1.19 H new ATOM 0 HA PHE A 67 7.190 -15.208 10.012 1.00 1.19 H new ATOM 0 HB2 PHE A 67 6.303 -16.235 7.333 1.00 1.19 H new ATOM 0 HB3 PHE A 67 5.409 -14.904 8.040 1.00 1.19 H new ATOM 0 HD1 PHE A 67 9.029 -15.340 8.635 1.00 1.19 H new ATOM 0 HD2 PHE A 67 6.060 -13.319 6.340 1.00 1.19 H new ATOM 0 HE1 PHE A 67 10.730 -13.764 7.824 1.00 1.19 H new ATOM 0 HE2 PHE A 67 7.760 -11.742 5.531 1.00 1.19 H new ATOM 0 HZ PHE A 67 10.097 -11.959 6.274 1.00 1.19 H new ATOM 1055 N THR A 68 4.645 -17.308 9.652 -0.70 -0.05 N ATOM 1056 CA THR A 68 3.368 -17.721 10.230 -0.70 -0.05 C ATOM 1057 C THR A 68 3.542 -18.222 11.660 -0.70 -0.05 C ATOM 1058 O THR A 68 2.612 -18.153 12.463 -0.70 -0.05 O ATOM 1059 CB THR A 68 2.708 -18.807 9.371 -0.70 -0.05 C ATOM 1060 OG1 THR A 68 3.570 -19.921 9.214 -0.70 -0.05 O ATOM 1061 CG2 THR A 68 2.320 -18.326 7.989 -0.70 -0.05 C ATOM 0 H THR A 68 4.950 -17.873 8.859 -0.70 -0.05 H new ATOM 0 HA THR A 68 2.720 -16.845 10.251 -0.70 -0.05 H new ATOM 0 HB THR A 68 1.801 -19.085 9.908 -0.70 -0.05 H new ATOM 0 HG1 THR A 68 4.256 -19.712 8.546 -0.70 -0.05 H new ATOM 0 HG21 THR A 68 1.859 -19.144 7.435 -0.70 -0.05 H new ATOM 0 HG22 THR A 68 1.612 -17.502 8.076 -0.70 -0.05 H new ATOM 0 HG23 THR A 68 3.210 -17.985 7.459 -0.70 -0.05 H new ATOM 1069 N ASP A 69 4.738 -18.717 11.974 -1.00 -0.90 N ATOM 1070 CA ASP A 69 5.032 -19.217 13.319 -1.00 -0.90 C ATOM 1071 C ASP A 69 4.789 -18.130 14.364 -1.00 -0.90 C ATOM 1072 O ASP A 69 4.039 -18.332 15.320 -1.00 -0.90 O ATOM 1073 CB ASP A 69 6.476 -19.724 13.412 -1.00 -0.90 C ATOM 1074 CG ASP A 69 6.748 -20.469 14.704 -1.00 -0.90 C ATOM 1075 OD1 ASP A 69 6.514 -21.696 14.743 -1.00 -0.90 O ATOM 1076 OD2 ASP A 69 7.194 -19.826 15.678 -1.00 -0.90 O ATOM 0 H ASP A 69 5.517 -18.783 11.319 -1.00 -0.90 H new ATOM 0 HA ASP A 69 4.360 -20.051 13.519 -1.00 -0.90 H new ATOM 0 HB2 ASP A 69 6.682 -20.381 12.567 -1.00 -0.90 H new ATOM 0 HB3 ASP A 69 7.160 -18.879 13.333 -1.00 -0.90 H new ATOM 1081 N GLN A 70 5.424 -16.972 14.165 -1.00 -0.85 N ATOM 1082 CA GLN A 70 5.279 -15.840 15.080 -1.00 -0.85 C ATOM 1083 C GLN A 70 3.880 -15.225 14.989 -1.00 -0.85 C ATOM 1084 O GLN A 70 3.387 -14.651 15.960 -1.00 -0.85 O ATOM 1085 CB GLN A 70 6.337 -14.773 14.781 -1.00 -0.85 C ATOM 1086 CG GLN A 70 7.748 -15.184 15.177 -1.00 -0.85 C ATOM 1087 CD GLN A 70 8.462 -15.961 14.085 -1.00 -0.85 C ATOM 1088 OE1 GLN A 70 8.823 -15.405 13.047 -1.00 -0.85 O ATOM 1089 NE2 GLN A 70 8.668 -17.254 14.313 -1.00 -0.85 N ATOM 0 H GLN A 70 6.045 -16.795 13.375 -1.00 -0.85 H new ATOM 0 HA GLN A 70 5.422 -16.214 16.094 -1.00 -0.85 H new ATOM 0 HB2 GLN A 70 6.320 -14.545 13.715 -1.00 -0.85 H new ATOM 0 HB3 GLN A 70 6.074 -13.855 15.307 -1.00 -0.85 H new ATOM 0 HG2 GLN A 70 8.327 -14.293 15.420 -1.00 -0.85 H new ATOM 0 HG3 GLN A 70 7.704 -15.792 16.080 -1.00 -0.85 H new ATOM 0 HE21 GLN A 70 8.352 -17.674 15.187 -1.00 -0.85 H new ATOM 0 HE22 GLN A 70 9.142 -17.826 13.614 -1.00 -0.85 H new ATOM 1098 N VAL A 71 3.241 -15.368 13.825 1.00 1.08 N ATOM 1099 CA VAL A 71 1.891 -14.847 13.615 1.00 1.08 C ATOM 1100 C VAL A 71 0.912 -15.631 14.474 1.00 1.08 C ATOM 1101 O VAL A 71 0.169 -15.059 15.272 1.00 1.08 O ATOM 1102 CB VAL A 71 1.465 -14.928 12.131 1.00 1.08 C ATOM 1103 CG1 VAL A 71 0.002 -14.534 11.964 1.00 1.08 C ATOM 1104 CG2 VAL A 71 2.359 -14.049 11.267 1.00 1.08 C ATOM 0 H VAL A 71 3.639 -15.841 13.014 1.00 1.08 H new ATOM 0 HA VAL A 71 1.887 -13.795 13.901 1.00 1.08 H new ATOM 0 HB VAL A 71 1.578 -15.961 11.802 1.00 1.08 H new ATOM 0 HG11 VAL A 71 -0.274 -14.599 10.912 1.00 1.08 H new ATOM 0 HG12 VAL A 71 -0.625 -15.209 12.546 1.00 1.08 H new ATOM 0 HG13 VAL A 71 -0.142 -13.512 12.315 1.00 1.08 H new ATOM 0 HG21 VAL A 71 2.043 -14.120 10.226 1.00 1.08 H new ATOM 0 HG22 VAL A 71 2.282 -13.014 11.600 1.00 1.08 H new ATOM 0 HG23 VAL A 71 3.393 -14.383 11.356 1.00 1.08 H new ATOM 1114 N LEU A 72 0.959 -16.955 14.324 1.00 1.06 N ATOM 1115 CA LEU A 72 0.122 -17.849 15.108 1.00 1.06 C ATOM 1116 C LEU A 72 0.380 -17.608 16.588 1.00 1.06 C ATOM 1117 O LEU A 72 -0.537 -17.665 17.407 1.00 1.06 O ATOM 1118 CB LEU A 72 0.408 -19.314 14.752 1.00 1.06 C ATOM 1119 CG LEU A 72 -0.583 -19.956 13.776 1.00 1.06 C ATOM 1120 CD1 LEU A 72 -1.979 -20.001 14.379 1.00 1.06 C ATOM 1121 CD2 LEU A 72 -0.594 -19.203 12.452 1.00 1.06 C ATOM 0 H LEU A 72 1.573 -17.429 13.662 1.00 1.06 H new ATOM 0 HA LEU A 72 -0.925 -17.645 14.882 1.00 1.06 H new ATOM 0 HB2 LEU A 72 1.408 -19.378 14.323 1.00 1.06 H new ATOM 0 HB3 LEU A 72 0.418 -19.899 15.672 1.00 1.06 H new ATOM 0 HG LEU A 72 -0.261 -20.980 13.586 1.00 1.06 H new ATOM 0 HD11 LEU A 72 -2.667 -20.461 13.670 1.00 1.06 H new ATOM 0 HD12 LEU A 72 -1.960 -20.587 15.298 1.00 1.06 H new ATOM 0 HD13 LEU A 72 -2.312 -18.987 14.602 1.00 1.06 H new ATOM 0 HD21 LEU A 72 -1.304 -19.674 11.772 1.00 1.06 H new ATOM 0 HD22 LEU A 72 -0.889 -18.168 12.625 1.00 1.06 H new ATOM 0 HD23 LEU A 72 0.402 -19.228 12.011 1.00 1.06 H new ATOM 1133 N SER A 73 1.644 -17.316 16.917 -0.80 -0.18 N ATOM 1134 CA SER A 73 2.030 -17.034 18.297 -0.80 -0.18 C ATOM 1135 C SER A 73 1.232 -15.863 18.852 -0.80 -0.18 C ATOM 1136 O SER A 73 0.800 -15.887 20.006 -0.80 -0.18 O ATOM 1137 CB SER A 73 3.532 -16.753 18.399 -0.80 -0.18 C ATOM 1138 OG SER A 73 4.021 -17.055 19.694 -0.80 -0.18 O ATOM 0 H SER A 73 2.411 -17.270 16.247 -0.80 -0.18 H new ATOM 0 HA SER A 73 1.807 -17.918 18.894 -0.80 -0.18 H new ATOM 0 HB2 SER A 73 4.067 -17.346 17.657 -0.80 -0.18 H new ATOM 0 HB3 SER A 73 3.725 -15.705 18.169 -0.80 -0.18 H new ATOM 0 HG SER A 73 4.982 -16.869 19.732 -0.80 -0.18 H new ATOM 1144 N VAL A 74 1.019 -14.847 18.015 1.00 1.08 N ATOM 1145 CA VAL A 74 0.248 -13.677 18.420 1.00 1.08 C ATOM 1146 C VAL A 74 -1.237 -14.026 18.546 1.00 1.08 C ATOM 1147 O VAL A 74 -1.993 -13.307 19.197 1.00 1.08 O ATOM 1148 CB VAL A 74 0.409 -12.502 17.426 1.00 1.08 C ATOM 1149 CG1 VAL A 74 -0.142 -11.214 18.024 1.00 1.08 C ATOM 1150 CG2 VAL A 74 1.867 -12.320 17.023 1.00 1.08 C ATOM 0 H VAL A 74 1.369 -14.813 17.057 1.00 1.08 H new ATOM 0 HA VAL A 74 0.638 -13.364 19.388 1.00 1.08 H new ATOM 0 HB VAL A 74 -0.163 -12.741 16.529 1.00 1.08 H new ATOM 0 HG11 VAL A 74 -0.019 -10.400 17.310 1.00 1.08 H new ATOM 0 HG12 VAL A 74 -1.201 -11.342 18.251 1.00 1.08 H new ATOM 0 HG13 VAL A 74 0.399 -10.978 18.940 1.00 1.08 H new ATOM 0 HG21 VAL A 74 1.950 -11.488 16.324 1.00 1.08 H new ATOM 0 HG22 VAL A 74 2.466 -12.111 17.909 1.00 1.08 H new ATOM 0 HG23 VAL A 74 2.229 -13.231 16.547 1.00 1.08 H new ATOM 1160 N LEU A 75 -1.645 -15.149 17.939 1.00 1.06 N ATOM 1161 CA LEU A 75 -3.035 -15.602 18.006 1.00 1.06 C ATOM 1162 C LEU A 75 -3.413 -15.949 19.440 1.00 1.06 C ATOM 1163 O LEU A 75 -4.544 -15.719 19.872 1.00 1.06 O ATOM 1164 CB LEU A 75 -3.262 -16.807 17.088 1.00 1.06 C ATOM 1165 CG LEU A 75 -4.550 -16.758 16.261 1.00 1.06 C ATOM 1166 CD1 LEU A 75 -4.230 -16.618 14.781 1.00 1.06 C ATOM 1167 CD2 LEU A 75 -5.394 -18.000 16.512 1.00 1.06 C ATOM 0 H LEU A 75 -1.031 -15.757 17.398 1.00 1.06 H new ATOM 0 HA LEU A 75 -3.674 -14.788 17.664 1.00 1.06 H new ATOM 0 HB2 LEU A 75 -2.414 -16.891 16.408 1.00 1.06 H new ATOM 0 HB3 LEU A 75 -3.273 -17.711 17.697 1.00 1.06 H new ATOM 0 HG LEU A 75 -5.124 -15.885 16.571 1.00 1.06 H new ATOM 0 HD11 LEU A 75 -5.158 -16.585 14.210 1.00 1.06 H new ATOM 0 HD12 LEU A 75 -3.669 -15.698 14.615 1.00 1.06 H new ATOM 0 HD13 LEU A 75 -3.634 -17.470 14.455 1.00 1.06 H new ATOM 0 HD21 LEU A 75 -6.305 -17.947 15.916 1.00 1.06 H new ATOM 0 HD22 LEU A 75 -4.827 -18.888 16.231 1.00 1.06 H new ATOM 0 HD23 LEU A 75 -5.655 -18.055 17.569 1.00 1.06 H new ATOM 1179 N LYS A 76 -2.445 -16.499 20.169 -1.00 -1.50 N ATOM 1180 CA LYS A 76 -2.646 -16.881 21.565 -1.00 -1.50 C ATOM 1181 C LYS A 76 -2.755 -15.641 22.449 -1.00 -1.50 C ATOM 1182 O LYS A 76 -3.629 -15.565 23.317 -1.00 -1.50 O ATOM 1183 CB LYS A 76 -1.496 -17.770 22.048 -1.00 -1.50 C ATOM 1184 CG LYS A 76 -1.487 -19.155 21.417 -1.00 -1.50 C ATOM 1185 CD LYS A 76 -0.399 -19.284 20.362 -1.00 -1.50 C ATOM 1186 CE LYS A 76 -0.830 -20.194 19.222 -1.00 -1.50 C ATOM 1187 NZ LYS A 76 0.324 -20.623 18.383 -1.00 -1.50 N ATOM 0 H LYS A 76 -1.508 -16.691 19.814 -1.00 -1.50 H new ATOM 0 HA LYS A 76 -3.577 -17.443 21.635 -1.00 -1.50 H new ATOM 0 HB2 LYS A 76 -0.550 -17.275 21.830 -1.00 -1.50 H new ATOM 0 HB3 LYS A 76 -1.559 -17.874 23.131 -1.00 -1.50 H new ATOM 0 HG2 LYS A 76 -1.334 -19.907 22.191 -1.00 -1.50 H new ATOM 0 HG3 LYS A 76 -2.458 -19.356 20.965 -1.00 -1.50 H new ATOM 0 HD2 LYS A 76 -0.154 -18.297 19.968 -1.00 -1.50 H new ATOM 0 HD3 LYS A 76 0.508 -19.678 20.820 -1.00 -1.50 H new ATOM 0 HE2 LYS A 76 -1.329 -21.073 19.629 -1.00 -1.50 H new ATOM 0 HE3 LYS A 76 -1.558 -19.674 18.599 -1.00 -1.50 H new ATOM 0 HZ1 LYS A 76 -0.026 -21.113 17.535 -1.00 -1.50 H new ATOM 0 HZ2 LYS A 76 0.875 -19.788 18.098 -1.00 -1.50 H new ATOM 0 HZ3 LYS A 76 0.930 -21.268 18.930 -1.00 -1.50 H new ATOM 1201 N GLY A 77 -1.870 -14.669 22.218 -0.40 0.48 N ATOM 1202 CA GLY A 77 -1.889 -13.440 22.992 -0.40 0.48 C ATOM 1203 C GLY A 77 -3.086 -12.568 22.658 -0.40 0.48 C ATOM 1204 O GLY A 77 -3.936 -12.319 23.515 -0.40 0.48 O ATOM 0 H GLY A 77 -1.140 -14.714 21.507 -0.40 0.48 H new ATOM 0 HA2 GLY A 77 -1.904 -13.682 24.055 -0.40 0.48 H new ATOM 0 HA3 GLY A 77 -0.972 -12.881 22.805 -0.40 0.48 H new ATOM 1208 N GLU A 78 -3.152 -12.110 21.407 -1.00 -0.74 N ATOM 1209 CA GLU A 78 -4.253 -11.264 20.950 -1.00 -0.74 C ATOM 1210 C GLU A 78 -4.855 -11.810 19.653 -1.00 -0.74 C ATOM 1211 O GLU A 78 -5.968 -12.338 19.653 -1.00 -0.74 O ATOM 1212 CB GLU A 78 -3.772 -9.823 20.742 -1.00 -0.74 C ATOM 1213 CG GLU A 78 -3.377 -9.116 22.031 -1.00 -0.74 C ATOM 1214 CD GLU A 78 -1.919 -9.330 22.395 -1.00 -0.74 C ATOM 1215 OE1 GLU A 78 -1.041 -8.867 21.635 -1.00 -0.74 O ATOM 1216 OE2 GLU A 78 -1.655 -9.959 23.442 -1.00 -0.74 O ATOM 0 H GLU A 78 -2.454 -12.312 20.691 -1.00 -0.74 H new ATOM 0 HA GLU A 78 -5.026 -11.269 21.719 -1.00 -0.74 H new ATOM 0 HB2 GLU A 78 -2.918 -9.829 20.065 -1.00 -0.74 H new ATOM 0 HB3 GLU A 78 -4.562 -9.253 20.253 -1.00 -0.74 H new ATOM 0 HG2 GLU A 78 -3.568 -8.048 21.928 -1.00 -0.74 H new ATOM 0 HG3 GLU A 78 -4.007 -9.475 22.845 -1.00 -0.74 H new ATOM 1223 N GLU A 79 -4.109 -11.684 18.553 -1.00 -0.74 N ATOM 1224 CA GLU A 79 -4.564 -12.169 17.250 -1.00 -0.74 C ATOM 1225 C GLU A 79 -3.389 -12.336 16.284 -1.00 -0.74 C ATOM 1226 O GLU A 79 -3.228 -13.447 15.737 -1.00 -0.74 O ATOM 1227 CB GLU A 79 -5.600 -11.208 16.654 -1.00 -0.74 C ATOM 1228 CG GLU A 79 -6.718 -11.908 15.896 -1.00 -0.74 C ATOM 1229 CD GLU A 79 -6.201 -12.873 14.844 -1.00 -0.74 C ATOM 1230 OE1 GLU A 79 -5.705 -12.404 13.799 -1.00 -0.74 O ATOM 1231 OE2 GLU A 79 -6.290 -14.099 15.069 -1.00 -0.74 O ATOM 1232 OXT GLU A 79 -2.642 -11.355 16.081 -1.00 -0.74 O ATOM 0 H GLU A 79 -3.186 -11.250 18.540 -1.00 -0.74 H new ATOM 0 HA GLU A 79 -5.027 -13.144 17.398 -1.00 -0.74 H new ATOM 0 HB2 GLU A 79 -6.035 -10.613 17.457 -1.00 -0.74 H new ATOM 0 HB3 GLU A 79 -5.095 -10.515 15.981 -1.00 -0.74 H new ATOM 0 HG2 GLU A 79 -7.346 -12.450 16.603 -1.00 -0.74 H new ATOM 0 HG3 GLU A 79 -7.350 -11.160 15.417 -1.00 -0.74 H new TER 1239 GLU A 79