USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 705 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 14 SER OG : rot 180:sc= 0.19 USER MOD Set 1.2: A 16 ASN : amide:sc= 0.157 X(o=0.35,f=0.029) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0345 USER MOD Single : A 11 SER OG : rot 23:sc= 0.675 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0761 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot 25:sc= 0.299 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 157:sc= 0 (180deg=-0.563) USER MOD Single : A 23 ASN : amide:sc= -1.18 K(o=-1.2,f=-6.4!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= -0.0556 (180deg=-0.434) USER MOD Single : A 31 LYS NZ :NH3+ -123:sc= -0.394 (180deg=-3.22!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 120:sc= -0.399 USER MOD Single : A 37 THR OG1 : rot 54:sc= -0.352 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 39 MET CE :methyl -156:sc= -0.396 (180deg=-1.73!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.501 X(o=-0.5,f=-0.47) USER MOD Single : A 49 SER OG : rot 46:sc= 0.406 USER MOD Single : A 57 LYS NZ :NH3+ 166:sc= -0.0691 (180deg=-0.348) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 176:sc= -1.31 (180deg=-1.34) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 66 MET CE :methyl 145:sc= -0.631 (180deg=-4.75!) USER MOD Single : A 67 TYR OH : rot 113:sc= 0.00195 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.869 USER MOD Single : A 72 LYS NZ :NH3+ 155:sc= -0.0929 (180deg=-0.59) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -120:sc= -0.0206 (180deg=-0.0521) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.530 -26.740 17.970 1.00 0.00 N ATOM 2 CA GLY A 1 -8.711 -25.383 17.489 1.00 0.00 C ATOM 3 C GLY A 1 -8.580 -24.354 18.595 1.00 0.00 C ATOM 4 O GLY A 1 -9.578 -23.802 19.059 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.629 -27.406 17.177 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.582 -26.837 18.387 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.249 -26.952 18.691 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.974 -25.174 16.713 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.694 -25.292 17.027 1.00 0.00 H new ATOM 8 N SER A 2 -7.347 -24.097 19.019 1.00 0.00 N ATOM 9 CA SER A 2 -7.090 -23.132 20.081 1.00 0.00 C ATOM 10 C SER A 2 -6.185 -22.008 19.587 1.00 0.00 C ATOM 11 O SER A 2 -5.333 -21.512 20.324 1.00 0.00 O ATOM 12 CB SER A 2 -6.450 -23.825 21.286 1.00 0.00 C ATOM 13 OG SER A 2 -7.421 -24.515 22.053 1.00 0.00 O ATOM 0 H SER A 2 -6.510 -24.544 18.643 1.00 0.00 H new ATOM 0 HA SER A 2 -8.044 -22.700 20.384 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.688 -24.525 20.944 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.947 -23.086 21.910 1.00 0.00 H new ATOM 0 HG SER A 2 -6.986 -24.950 22.816 1.00 0.00 H new ATOM 19 N SER A 3 -6.376 -21.611 18.332 1.00 0.00 N ATOM 20 CA SER A 3 -5.575 -20.548 17.736 1.00 0.00 C ATOM 21 C SER A 3 -5.771 -19.234 18.487 1.00 0.00 C ATOM 22 O SER A 3 -6.832 -18.616 18.413 1.00 0.00 O ATOM 23 CB SER A 3 -5.945 -20.368 16.263 1.00 0.00 C ATOM 24 OG SER A 3 -5.288 -21.325 15.451 1.00 0.00 O ATOM 0 H SER A 3 -7.078 -22.010 17.709 1.00 0.00 H new ATOM 0 HA SER A 3 -4.525 -20.833 17.807 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.024 -20.463 16.142 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.675 -19.363 15.937 1.00 0.00 H new ATOM 0 HG SER A 3 -5.543 -21.189 14.514 1.00 0.00 H new ATOM 30 N GLY A 4 -4.737 -18.813 19.209 1.00 0.00 N ATOM 31 CA GLY A 4 -4.815 -17.576 19.963 1.00 0.00 C ATOM 32 C GLY A 4 -3.450 -16.972 20.229 1.00 0.00 C ATOM 33 O GLY A 4 -2.993 -16.932 21.372 1.00 0.00 O ATOM 0 H GLY A 4 -3.847 -19.306 19.285 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.426 -16.858 19.416 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.317 -17.764 20.912 1.00 0.00 H new ATOM 37 N SER A 5 -2.795 -16.504 19.172 1.00 0.00 N ATOM 38 CA SER A 5 -1.471 -15.905 19.295 1.00 0.00 C ATOM 39 C SER A 5 -1.567 -14.383 19.350 1.00 0.00 C ATOM 40 O SER A 5 -2.500 -13.789 18.811 1.00 0.00 O ATOM 41 CB SER A 5 -0.584 -16.330 18.123 1.00 0.00 C ATOM 42 OG SER A 5 0.788 -16.208 18.452 1.00 0.00 O ATOM 0 H SER A 5 -3.160 -16.528 18.220 1.00 0.00 H new ATOM 0 HA SER A 5 -1.025 -16.258 20.225 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.806 -17.362 17.851 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.808 -15.715 17.251 1.00 0.00 H new ATOM 0 HG SER A 5 1.334 -16.487 17.687 1.00 0.00 H new ATOM 48 N SER A 6 -0.593 -13.759 20.006 1.00 0.00 N ATOM 49 CA SER A 6 -0.568 -12.307 20.136 1.00 0.00 C ATOM 50 C SER A 6 0.298 -11.679 19.048 1.00 0.00 C ATOM 51 O SER A 6 1.082 -12.363 18.392 1.00 0.00 O ATOM 52 CB SER A 6 -0.043 -11.906 21.516 1.00 0.00 C ATOM 53 OG SER A 6 1.374 -11.883 21.535 1.00 0.00 O ATOM 0 H SER A 6 0.188 -14.236 20.455 1.00 0.00 H new ATOM 0 HA SER A 6 -1.588 -11.939 20.022 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.430 -10.923 21.784 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.409 -12.608 22.266 1.00 0.00 H new ATOM 0 HG SER A 6 1.685 -11.622 22.427 1.00 0.00 H new ATOM 59 N GLY A 7 0.148 -10.371 18.862 1.00 0.00 N ATOM 60 CA GLY A 7 0.922 -9.672 17.853 1.00 0.00 C ATOM 61 C GLY A 7 1.124 -8.208 18.189 1.00 0.00 C ATOM 62 O GLY A 7 0.433 -7.340 17.657 1.00 0.00 O ATOM 0 H GLY A 7 -0.496 -9.783 19.392 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.894 -10.154 17.746 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.417 -9.754 16.890 1.00 0.00 H new ATOM 66 N GLY A 8 2.074 -7.931 19.077 1.00 0.00 N ATOM 67 CA GLY A 8 2.347 -6.561 19.469 1.00 0.00 C ATOM 68 C GLY A 8 3.726 -6.395 20.075 1.00 0.00 C ATOM 69 O GLY A 8 4.220 -7.284 20.770 1.00 0.00 O ATOM 0 H GLY A 8 2.660 -8.631 19.532 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.256 -5.912 18.598 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.596 -6.236 20.189 1.00 0.00 H new ATOM 73 N THR A 9 4.353 -5.252 19.812 1.00 0.00 N ATOM 74 CA THR A 9 5.685 -4.973 20.334 1.00 0.00 C ATOM 75 C THR A 9 5.909 -3.474 20.498 1.00 0.00 C ATOM 76 O THR A 9 5.290 -2.665 19.807 1.00 0.00 O ATOM 77 CB THR A 9 6.780 -5.547 19.415 1.00 0.00 C ATOM 78 OG1 THR A 9 8.075 -5.218 19.932 1.00 0.00 O ATOM 79 CG2 THR A 9 6.639 -5.003 18.001 1.00 0.00 C ATOM 0 H THR A 9 3.959 -4.505 19.240 1.00 0.00 H new ATOM 0 HA THR A 9 5.750 -5.456 21.309 1.00 0.00 H new ATOM 0 HB THR A 9 6.667 -6.631 19.383 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.766 -5.588 19.343 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.423 -5.422 17.370 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.664 -5.280 17.600 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.729 -3.917 18.018 1.00 0.00 H new ATOM 87 N VAL A 10 6.798 -3.110 21.417 1.00 0.00 N ATOM 88 CA VAL A 10 7.105 -1.708 21.670 1.00 0.00 C ATOM 89 C VAL A 10 7.619 -1.021 20.410 1.00 0.00 C ATOM 90 O VAL A 10 7.702 -1.635 19.346 1.00 0.00 O ATOM 91 CB VAL A 10 8.153 -1.555 22.789 1.00 0.00 C ATOM 92 CG1 VAL A 10 7.588 -2.033 24.118 1.00 0.00 C ATOM 93 CG2 VAL A 10 9.422 -2.316 22.435 1.00 0.00 C ATOM 0 H VAL A 10 7.318 -3.767 21.998 1.00 0.00 H new ATOM 0 HA VAL A 10 6.176 -1.233 21.985 1.00 0.00 H new ATOM 0 HB VAL A 10 8.404 -0.499 22.888 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.342 -1.918 24.897 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.709 -1.441 24.374 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.308 -3.083 24.037 1.00 0.00 H new ATOM 0 HG21 VAL A 10 10.152 -2.198 23.235 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.189 -3.373 22.309 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.835 -1.923 21.506 1.00 0.00 H new ATOM 103 N SER A 11 7.963 0.256 20.537 1.00 0.00 N ATOM 104 CA SER A 11 8.467 1.028 19.407 1.00 0.00 C ATOM 105 C SER A 11 9.992 0.993 19.361 1.00 0.00 C ATOM 106 O SER A 11 10.663 1.498 20.260 1.00 0.00 O ATOM 107 CB SER A 11 7.982 2.476 19.495 1.00 0.00 C ATOM 108 OG SER A 11 8.501 3.119 20.647 1.00 0.00 O ATOM 0 H SER A 11 7.902 0.778 21.411 1.00 0.00 H new ATOM 0 HA SER A 11 8.083 0.578 18.492 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.288 3.020 18.602 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.893 2.497 19.523 1.00 0.00 H new ATOM 0 HG SER A 11 9.317 2.660 20.938 1.00 0.00 H new ATOM 114 N ALA A 12 10.532 0.391 18.307 1.00 0.00 N ATOM 115 CA ALA A 12 11.976 0.290 18.141 1.00 0.00 C ATOM 116 C ALA A 12 12.427 0.943 16.839 1.00 0.00 C ATOM 117 O ALA A 12 11.903 0.640 15.766 1.00 0.00 O ATOM 118 CB ALA A 12 12.412 -1.167 18.181 1.00 0.00 C ATOM 0 H ALA A 12 9.990 -0.035 17.555 1.00 0.00 H new ATOM 0 HA ALA A 12 12.449 0.822 18.966 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.493 -1.227 18.056 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.133 -1.604 19.140 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.923 -1.715 17.376 1.00 0.00 H new ATOM 124 N THR A 13 13.400 1.843 16.939 1.00 0.00 N ATOM 125 CA THR A 13 13.920 2.540 15.769 1.00 0.00 C ATOM 126 C THR A 13 14.930 1.679 15.019 1.00 0.00 C ATOM 127 O THR A 13 16.128 1.959 15.031 1.00 0.00 O ATOM 128 CB THR A 13 14.587 3.872 16.160 1.00 0.00 C ATOM 129 OG1 THR A 13 15.175 3.763 17.461 1.00 0.00 O ATOM 130 CG2 THR A 13 13.575 5.008 16.149 1.00 0.00 C ATOM 0 H THR A 13 13.844 2.107 17.819 1.00 0.00 H new ATOM 0 HA THR A 13 13.069 2.745 15.119 1.00 0.00 H new ATOM 0 HB THR A 13 15.364 4.092 15.428 1.00 0.00 H new ATOM 0 HG1 THR A 13 15.598 4.614 17.701 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.069 5.938 16.428 1.00 0.00 H new ATOM 0 HG22 THR A 13 13.151 5.108 15.150 1.00 0.00 H new ATOM 0 HG23 THR A 13 12.778 4.792 16.861 1.00 0.00 H new ATOM 138 N SER A 14 14.438 0.631 14.366 1.00 0.00 N ATOM 139 CA SER A 14 15.299 -0.273 13.613 1.00 0.00 C ATOM 140 C SER A 14 14.472 -1.318 12.871 1.00 0.00 C ATOM 141 O SER A 14 14.498 -2.507 13.188 1.00 0.00 O ATOM 142 CB SER A 14 16.293 -0.963 14.549 1.00 0.00 C ATOM 143 OG SER A 14 17.450 -1.382 13.846 1.00 0.00 O ATOM 0 H SER A 14 13.448 0.387 14.343 1.00 0.00 H new ATOM 0 HA SER A 14 15.850 0.316 12.880 1.00 0.00 H new ATOM 0 HB2 SER A 14 16.578 -0.280 15.349 1.00 0.00 H new ATOM 0 HB3 SER A 14 15.817 -1.824 15.019 1.00 0.00 H new ATOM 0 HG SER A 14 18.070 -1.819 14.467 1.00 0.00 H new ATOM 149 N PRO A 15 13.720 -0.865 11.857 1.00 0.00 N ATOM 150 CA PRO A 15 12.871 -1.744 11.047 1.00 0.00 C ATOM 151 C PRO A 15 13.685 -2.676 10.156 1.00 0.00 C ATOM 152 O PRO A 15 13.894 -2.395 8.976 1.00 0.00 O ATOM 153 CB PRO A 15 12.057 -0.765 10.196 1.00 0.00 C ATOM 154 CG PRO A 15 12.902 0.459 10.116 1.00 0.00 C ATOM 155 CD PRO A 15 13.640 0.540 11.423 1.00 0.00 C ATOM 0 HA PRO A 15 12.260 -2.403 11.664 1.00 0.00 H new ATOM 0 HB2 PRO A 15 11.856 -1.173 9.205 1.00 0.00 H new ATOM 0 HB3 PRO A 15 11.091 -0.550 10.654 1.00 0.00 H new ATOM 0 HG2 PRO A 15 13.597 0.399 9.279 1.00 0.00 H new ATOM 0 HG3 PRO A 15 12.289 1.346 9.958 1.00 0.00 H new ATOM 0 HD2 PRO A 15 14.630 0.979 11.299 1.00 0.00 H new ATOM 0 HD3 PRO A 15 13.107 1.155 12.148 1.00 0.00 H new ATOM 163 N ASN A 16 14.141 -3.785 10.728 1.00 0.00 N ATOM 164 CA ASN A 16 14.932 -4.758 9.984 1.00 0.00 C ATOM 165 C ASN A 16 14.844 -6.138 10.629 1.00 0.00 C ATOM 166 O ASN A 16 14.686 -6.259 11.844 1.00 0.00 O ATOM 167 CB ASN A 16 16.393 -4.310 9.911 1.00 0.00 C ATOM 168 CG ASN A 16 16.880 -3.710 11.216 1.00 0.00 C ATOM 169 OD1 ASN A 16 16.517 -4.172 12.298 1.00 0.00 O ATOM 170 ND2 ASN A 16 17.707 -2.675 11.119 1.00 0.00 N ATOM 0 H ASN A 16 13.977 -4.032 11.704 1.00 0.00 H new ATOM 0 HA ASN A 16 14.527 -4.822 8.974 1.00 0.00 H new ATOM 0 HB2 ASN A 16 17.019 -5.163 9.651 1.00 0.00 H new ATOM 0 HB3 ASN A 16 16.506 -3.577 9.113 1.00 0.00 H new ATOM 0 HD21 ASN A 16 18.068 -2.230 11.963 1.00 0.00 H new ATOM 0 HD22 ASN A 16 17.981 -2.325 10.201 1.00 0.00 H new ATOM 177 N LYS A 17 14.948 -7.177 9.807 1.00 0.00 N ATOM 178 CA LYS A 17 14.882 -8.549 10.296 1.00 0.00 C ATOM 179 C LYS A 17 13.564 -8.806 11.020 1.00 0.00 C ATOM 180 O LYS A 17 13.531 -9.483 12.049 1.00 0.00 O ATOM 181 CB LYS A 17 16.056 -8.835 11.236 1.00 0.00 C ATOM 182 CG LYS A 17 16.385 -10.312 11.365 1.00 0.00 C ATOM 183 CD LYS A 17 17.361 -10.568 12.502 1.00 0.00 C ATOM 184 CE LYS A 17 17.456 -12.049 12.832 1.00 0.00 C ATOM 185 NZ LYS A 17 18.089 -12.824 11.729 1.00 0.00 N ATOM 0 H LYS A 17 15.078 -7.095 8.799 1.00 0.00 H new ATOM 0 HA LYS A 17 14.941 -9.217 9.437 1.00 0.00 H new ATOM 0 HB2 LYS A 17 16.937 -8.305 10.875 1.00 0.00 H new ATOM 0 HB3 LYS A 17 15.826 -8.435 12.223 1.00 0.00 H new ATOM 0 HG2 LYS A 17 15.468 -10.876 11.537 1.00 0.00 H new ATOM 0 HG3 LYS A 17 16.812 -10.674 10.429 1.00 0.00 H new ATOM 0 HD2 LYS A 17 18.347 -10.191 12.229 1.00 0.00 H new ATOM 0 HD3 LYS A 17 17.043 -10.017 13.387 1.00 0.00 H new ATOM 0 HE2 LYS A 17 18.034 -12.181 13.747 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.458 -12.442 13.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 18.135 -13.829 11.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 17.524 -12.719 10.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 19.051 -12.466 11.561 1.00 0.00 H new ATOM 199 N CYS A 18 12.480 -8.265 10.475 1.00 0.00 N ATOM 200 CA CYS A 18 11.159 -8.437 11.068 1.00 0.00 C ATOM 201 C CYS A 18 10.074 -8.412 9.997 1.00 0.00 C ATOM 202 O CYS A 18 10.091 -7.569 9.099 1.00 0.00 O ATOM 203 CB CYS A 18 10.895 -7.342 12.103 1.00 0.00 C ATOM 204 SG CYS A 18 11.553 -7.707 13.748 1.00 0.00 S ATOM 0 H CYS A 18 12.490 -7.704 9.623 1.00 0.00 H new ATOM 0 HA CYS A 18 11.134 -9.408 11.562 1.00 0.00 H new ATOM 0 HB2 CYS A 18 11.331 -6.408 11.748 1.00 0.00 H new ATOM 0 HB3 CYS A 18 9.820 -7.182 12.181 1.00 0.00 H new ATOM 0 HG CYS A 18 12.553 -8.531 13.642 1.00 0.00 H new ATOM 210 N LYS A 19 9.131 -9.343 10.095 1.00 0.00 N ATOM 211 CA LYS A 19 8.037 -9.430 9.135 1.00 0.00 C ATOM 212 C LYS A 19 6.691 -9.239 9.825 1.00 0.00 C ATOM 213 O LYS A 19 6.155 -10.169 10.428 1.00 0.00 O ATOM 214 CB LYS A 19 8.068 -10.781 8.416 1.00 0.00 C ATOM 215 CG LYS A 19 7.426 -10.753 7.040 1.00 0.00 C ATOM 216 CD LYS A 19 5.911 -10.831 7.130 1.00 0.00 C ATOM 217 CE LYS A 19 5.304 -11.379 5.848 1.00 0.00 C ATOM 218 NZ LYS A 19 3.828 -11.189 5.806 1.00 0.00 N ATOM 0 H LYS A 19 9.103 -10.049 10.831 1.00 0.00 H new ATOM 0 HA LYS A 19 8.165 -8.633 8.402 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.103 -11.107 8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.557 -11.522 9.031 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.714 -9.838 6.522 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.800 -11.587 6.446 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.628 -11.467 7.969 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.506 -9.839 7.331 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.758 -10.883 4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.536 -12.441 5.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.453 -11.576 4.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.391 -11.684 6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.607 -10.174 5.862 1.00 0.00 H new ATOM 232 N ARG A 20 6.148 -8.029 9.731 1.00 0.00 N ATOM 233 CA ARG A 20 4.864 -7.718 10.346 1.00 0.00 C ATOM 234 C ARG A 20 3.788 -7.509 9.284 1.00 0.00 C ATOM 235 O ARG A 20 4.077 -7.257 8.114 1.00 0.00 O ATOM 236 CB ARG A 20 4.983 -6.468 11.219 1.00 0.00 C ATOM 237 CG ARG A 20 5.074 -6.769 12.706 1.00 0.00 C ATOM 238 CD ARG A 20 5.660 -5.597 13.478 1.00 0.00 C ATOM 239 NE ARG A 20 7.080 -5.410 13.194 1.00 0.00 N ATOM 240 CZ ARG A 20 7.836 -4.498 13.795 1.00 0.00 C ATOM 241 NH1 ARG A 20 7.310 -3.695 14.709 1.00 0.00 N ATOM 242 NH2 ARG A 20 9.121 -4.389 13.483 1.00 0.00 N ATOM 0 H ARG A 20 6.578 -7.249 9.235 1.00 0.00 H new ATOM 0 HA ARG A 20 4.574 -8.563 10.970 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.867 -5.907 10.916 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.121 -5.826 11.039 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.082 -7.001 13.093 1.00 0.00 H new ATOM 0 HG3 ARG A 20 5.691 -7.654 12.862 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.117 -4.687 13.223 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.523 -5.762 14.547 1.00 0.00 H new ATOM 0 HE ARG A 20 7.515 -6.013 12.496 1.00 0.00 H new ATOM 0 HH11 ARG A 20 6.323 -3.777 14.952 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.892 -2.995 15.169 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.529 -5.006 12.781 1.00 0.00 H new ATOM 0 HH22 ARG A 20 9.700 -3.688 13.945 1.00 0.00 H new ATOM 256 N PRO A 21 2.518 -7.618 9.699 1.00 0.00 N ATOM 257 CA PRO A 21 1.373 -7.445 8.799 1.00 0.00 C ATOM 258 C PRO A 21 1.205 -5.998 8.347 1.00 0.00 C ATOM 259 O PRO A 21 1.844 -5.093 8.882 1.00 0.00 O ATOM 260 CB PRO A 21 0.181 -7.880 9.654 1.00 0.00 C ATOM 261 CG PRO A 21 0.619 -7.653 11.059 1.00 0.00 C ATOM 262 CD PRO A 21 2.100 -7.917 11.079 1.00 0.00 C ATOM 0 HA PRO A 21 1.487 -8.019 7.879 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.709 -7.297 9.418 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.069 -8.927 9.482 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.400 -6.633 11.376 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.095 -8.319 11.744 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.612 -7.281 11.801 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.321 -8.949 11.351 1.00 0.00 H new ATOM 270 N MET A 22 0.341 -5.789 7.359 1.00 0.00 N ATOM 271 CA MET A 22 0.088 -4.451 6.836 1.00 0.00 C ATOM 272 C MET A 22 -1.281 -3.945 7.277 1.00 0.00 C ATOM 273 O MET A 22 -2.291 -4.213 6.627 1.00 0.00 O ATOM 274 CB MET A 22 0.178 -4.452 5.309 1.00 0.00 C ATOM 275 CG MET A 22 -0.599 -5.583 4.655 1.00 0.00 C ATOM 276 SD MET A 22 -1.317 -5.108 3.071 1.00 0.00 S ATOM 277 CE MET A 22 0.082 -4.304 2.293 1.00 0.00 C ATOM 0 H MET A 22 -0.195 -6.528 6.905 1.00 0.00 H new ATOM 0 HA MET A 22 0.849 -3.781 7.237 1.00 0.00 H new ATOM 0 HB2 MET A 22 -0.195 -3.500 4.931 1.00 0.00 H new ATOM 0 HB3 MET A 22 1.225 -4.524 5.015 1.00 0.00 H new ATOM 0 HG2 MET A 22 0.063 -6.436 4.508 1.00 0.00 H new ATOM 0 HG3 MET A 22 -1.393 -5.908 5.327 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.045 -4.320 1.211 1.00 0.00 H new ATOM 0 HE2 MET A 22 0.145 -3.271 2.636 1.00 0.00 H new ATOM 0 HE3 MET A 22 0.998 -4.831 2.558 1.00 0.00 H new ATOM 287 N ASN A 23 -1.308 -3.212 8.385 1.00 0.00 N ATOM 288 CA ASN A 23 -2.555 -2.670 8.913 1.00 0.00 C ATOM 289 C ASN A 23 -3.197 -1.712 7.914 1.00 0.00 C ATOM 290 O ASN A 23 -2.771 -1.622 6.763 1.00 0.00 O ATOM 291 CB ASN A 23 -2.301 -1.948 10.238 1.00 0.00 C ATOM 292 CG ASN A 23 -1.809 -0.528 10.037 1.00 0.00 C ATOM 293 OD1 ASN A 23 -2.517 0.434 10.334 1.00 0.00 O ATOM 294 ND2 ASN A 23 -0.589 -0.391 9.531 1.00 0.00 N ATOM 0 H ASN A 23 -0.481 -2.980 8.935 1.00 0.00 H new ATOM 0 HA ASN A 23 -3.240 -3.501 9.085 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.221 -1.932 10.822 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.566 -2.506 10.818 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.204 0.540 9.374 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.037 -1.217 9.299 1.00 0.00 H new ATOM 301 N ALA A 24 -4.224 -0.998 8.364 1.00 0.00 N ATOM 302 CA ALA A 24 -4.924 -0.045 7.511 1.00 0.00 C ATOM 303 C ALA A 24 -3.985 1.059 7.037 1.00 0.00 C ATOM 304 O ALA A 24 -3.929 1.371 5.847 1.00 0.00 O ATOM 305 CB ALA A 24 -6.113 0.551 8.250 1.00 0.00 C ATOM 0 H ALA A 24 -4.590 -1.062 9.314 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.287 -0.579 6.633 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.626 1.261 7.601 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.802 -0.245 8.533 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.764 1.065 9.146 1.00 0.00 H new ATOM 311 N PHE A 25 -3.250 1.647 7.974 1.00 0.00 N ATOM 312 CA PHE A 25 -2.315 2.719 7.652 1.00 0.00 C ATOM 313 C PHE A 25 -1.307 2.263 6.601 1.00 0.00 C ATOM 314 O PHE A 25 -0.972 3.010 5.682 1.00 0.00 O ATOM 315 CB PHE A 25 -1.581 3.180 8.913 1.00 0.00 C ATOM 316 CG PHE A 25 -0.524 4.214 8.647 1.00 0.00 C ATOM 317 CD1 PHE A 25 -0.873 5.528 8.384 1.00 0.00 C ATOM 318 CD2 PHE A 25 0.818 3.871 8.661 1.00 0.00 C ATOM 319 CE1 PHE A 25 0.097 6.481 8.138 1.00 0.00 C ATOM 320 CE2 PHE A 25 1.793 4.820 8.416 1.00 0.00 C ATOM 321 CZ PHE A 25 1.432 6.127 8.156 1.00 0.00 C ATOM 0 H PHE A 25 -3.283 1.400 8.963 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.885 3.555 7.246 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.306 3.586 9.618 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.120 2.316 9.392 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -1.915 5.811 8.371 1.00 0.00 H new ATOM 0 HD2 PHE A 25 1.106 2.850 8.866 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.189 7.502 7.932 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.836 4.539 8.428 1.00 0.00 H new ATOM 0 HZ PHE A 25 2.192 6.871 7.967 1.00 0.00 H new ATOM 331 N MET A 26 -0.827 1.032 6.745 1.00 0.00 N ATOM 332 CA MET A 26 0.143 0.476 5.808 1.00 0.00 C ATOM 333 C MET A 26 -0.347 0.618 4.371 1.00 0.00 C ATOM 334 O MET A 26 0.403 1.033 3.486 1.00 0.00 O ATOM 335 CB MET A 26 0.404 -0.997 6.126 1.00 0.00 C ATOM 336 CG MET A 26 1.549 -1.214 7.103 1.00 0.00 C ATOM 337 SD MET A 26 2.929 -2.112 6.368 1.00 0.00 S ATOM 338 CE MET A 26 4.051 -2.209 7.760 1.00 0.00 C ATOM 0 H MET A 26 -1.093 0.401 7.501 1.00 0.00 H new ATOM 0 HA MET A 26 1.074 1.034 5.913 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.504 -1.438 6.539 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.623 -1.527 5.199 1.00 0.00 H new ATOM 0 HG2 MET A 26 1.901 -0.248 7.465 1.00 0.00 H new ATOM 0 HG3 MET A 26 1.183 -1.765 7.969 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.956 -2.739 7.462 1.00 0.00 H new ATOM 0 HE2 MET A 26 4.312 -1.203 8.088 1.00 0.00 H new ATOM 0 HE3 MET A 26 3.570 -2.744 8.579 1.00 0.00 H new ATOM 348 N LEU A 27 -1.609 0.272 4.143 1.00 0.00 N ATOM 349 CA LEU A 27 -2.200 0.361 2.812 1.00 0.00 C ATOM 350 C LEU A 27 -2.195 1.801 2.310 1.00 0.00 C ATOM 351 O LEU A 27 -2.019 2.053 1.117 1.00 0.00 O ATOM 352 CB LEU A 27 -3.630 -0.180 2.830 1.00 0.00 C ATOM 353 CG LEU A 27 -4.045 -1.019 1.621 1.00 0.00 C ATOM 354 CD1 LEU A 27 -3.139 -2.232 1.476 1.00 0.00 C ATOM 355 CD2 LEU A 27 -5.500 -1.451 1.745 1.00 0.00 C ATOM 0 H LEU A 27 -2.244 -0.073 4.863 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.599 -0.243 2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.757 -0.785 3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.315 0.663 2.914 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.943 -0.405 0.726 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.450 -2.817 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.109 -1.903 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.208 -2.847 2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.778 -2.047 0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.627 -2.047 2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.138 -0.569 1.799 1.00 0.00 H new ATOM 367 N PHE A 28 -2.386 2.743 3.227 1.00 0.00 N ATOM 368 CA PHE A 28 -2.402 4.159 2.878 1.00 0.00 C ATOM 369 C PHE A 28 -1.007 4.639 2.490 1.00 0.00 C ATOM 370 O PHE A 28 -0.780 5.072 1.360 1.00 0.00 O ATOM 371 CB PHE A 28 -2.933 4.989 4.048 1.00 0.00 C ATOM 372 CG PHE A 28 -2.720 6.466 3.881 1.00 0.00 C ATOM 373 CD1 PHE A 28 -1.558 7.068 4.336 1.00 0.00 C ATOM 374 CD2 PHE A 28 -3.682 7.253 3.268 1.00 0.00 C ATOM 375 CE1 PHE A 28 -1.359 8.428 4.183 1.00 0.00 C ATOM 376 CE2 PHE A 28 -3.488 8.612 3.111 1.00 0.00 C ATOM 377 CZ PHE A 28 -2.326 9.201 3.571 1.00 0.00 C ATOM 0 H PHE A 28 -2.532 2.552 4.218 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.063 4.289 2.021 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.999 4.795 4.166 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.446 4.661 4.966 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.799 6.468 4.816 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -4.594 6.799 2.909 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -0.449 8.885 4.542 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -4.244 9.214 2.629 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.174 10.264 3.452 1.00 0.00 H new ATOM 387 N ALA A 29 -0.076 4.560 3.435 1.00 0.00 N ATOM 388 CA ALA A 29 1.297 4.985 3.193 1.00 0.00 C ATOM 389 C ALA A 29 1.887 4.271 1.982 1.00 0.00 C ATOM 390 O ALA A 29 2.763 4.804 1.300 1.00 0.00 O ATOM 391 CB ALA A 29 2.152 4.733 4.426 1.00 0.00 C ATOM 0 H ALA A 29 -0.248 4.205 4.376 1.00 0.00 H new ATOM 0 HA ALA A 29 1.289 6.054 2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.175 5.055 4.231 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.749 5.294 5.269 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.145 3.669 4.662 1.00 0.00 H new ATOM 397 N LYS A 30 1.402 3.063 1.719 1.00 0.00 N ATOM 398 CA LYS A 30 1.880 2.275 0.589 1.00 0.00 C ATOM 399 C LYS A 30 1.297 2.793 -0.722 1.00 0.00 C ATOM 400 O LYS A 30 2.032 3.169 -1.635 1.00 0.00 O ATOM 401 CB LYS A 30 1.512 0.801 0.776 1.00 0.00 C ATOM 402 CG LYS A 30 2.146 -0.119 -0.252 1.00 0.00 C ATOM 403 CD LYS A 30 1.592 -1.531 -0.154 1.00 0.00 C ATOM 404 CE LYS A 30 0.216 -1.635 -0.794 1.00 0.00 C ATOM 405 NZ LYS A 30 0.269 -1.399 -2.264 1.00 0.00 N ATOM 0 H LYS A 30 0.677 2.607 2.274 1.00 0.00 H new ATOM 0 HA LYS A 30 2.965 2.370 0.546 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.817 0.483 1.773 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.428 0.697 0.725 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.967 0.274 -1.253 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.226 -0.140 -0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.275 -2.226 -0.642 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.531 -1.827 0.893 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -0.201 -2.623 -0.600 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.455 -0.909 -0.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.564 -1.828 -2.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.276 -0.376 -2.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 1.132 -1.828 -2.654 1.00 0.00 H new ATOM 419 N LYS A 31 -0.029 2.812 -0.807 1.00 0.00 N ATOM 420 CA LYS A 31 -0.712 3.287 -2.005 1.00 0.00 C ATOM 421 C LYS A 31 -0.307 4.721 -2.330 1.00 0.00 C ATOM 422 O LYS A 31 -0.362 5.145 -3.484 1.00 0.00 O ATOM 423 CB LYS A 31 -2.229 3.204 -1.818 1.00 0.00 C ATOM 424 CG LYS A 31 -3.017 3.825 -2.959 1.00 0.00 C ATOM 425 CD LYS A 31 -4.513 3.760 -2.703 1.00 0.00 C ATOM 426 CE LYS A 31 -5.035 2.335 -2.809 1.00 0.00 C ATOM 427 NZ LYS A 31 -4.969 1.621 -1.504 1.00 0.00 N ATOM 0 H LYS A 31 -0.652 2.504 -0.061 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.419 2.648 -2.838 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.517 2.158 -1.715 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.500 3.702 -0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.714 4.864 -3.089 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -2.783 3.306 -3.889 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.731 4.156 -1.711 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.034 4.394 -3.421 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.066 2.351 -3.162 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.453 1.789 -3.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -4.403 0.755 -1.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -4.527 2.238 -0.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.930 1.371 -1.196 1.00 0.00 H new ATOM 441 N TYR A 32 0.102 5.462 -1.306 1.00 0.00 N ATOM 442 CA TYR A 32 0.515 6.849 -1.483 1.00 0.00 C ATOM 443 C TYR A 32 2.025 6.992 -1.319 1.00 0.00 C ATOM 444 O TYR A 32 2.553 8.103 -1.268 1.00 0.00 O ATOM 445 CB TYR A 32 -0.205 7.750 -0.480 1.00 0.00 C ATOM 446 CG TYR A 32 -1.656 8.001 -0.824 1.00 0.00 C ATOM 447 CD1 TYR A 32 -2.654 7.140 -0.383 1.00 0.00 C ATOM 448 CD2 TYR A 32 -2.029 9.098 -1.590 1.00 0.00 C ATOM 449 CE1 TYR A 32 -3.981 7.365 -0.695 1.00 0.00 C ATOM 450 CE2 TYR A 32 -3.354 9.332 -1.906 1.00 0.00 C ATOM 451 CZ TYR A 32 -4.325 8.462 -1.457 1.00 0.00 C ATOM 452 OH TYR A 32 -5.646 8.690 -1.770 1.00 0.00 O ATOM 0 H TYR A 32 0.156 5.125 -0.345 1.00 0.00 H new ATOM 0 HA TYR A 32 0.246 7.155 -2.494 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.148 7.296 0.509 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.317 8.705 -0.423 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.388 6.280 0.214 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.270 9.780 -1.945 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.744 6.686 -0.344 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.627 10.191 -2.501 1.00 0.00 H new ATOM 0 HH TYR A 32 -5.718 9.504 -2.311 1.00 0.00 H new ATOM 462 N ARG A 33 2.715 5.858 -1.238 1.00 0.00 N ATOM 463 CA ARG A 33 4.164 5.856 -1.080 1.00 0.00 C ATOM 464 C ARG A 33 4.843 6.522 -2.273 1.00 0.00 C ATOM 465 O ARG A 33 5.482 7.566 -2.134 1.00 0.00 O ATOM 466 CB ARG A 33 4.679 4.424 -0.921 1.00 0.00 C ATOM 467 CG ARG A 33 5.941 4.320 -0.080 1.00 0.00 C ATOM 468 CD ARG A 33 5.614 4.160 1.397 1.00 0.00 C ATOM 469 NE ARG A 33 6.804 3.870 2.192 1.00 0.00 N ATOM 470 CZ ARG A 33 7.756 4.763 2.442 1.00 0.00 C ATOM 471 NH1 ARG A 33 7.657 5.994 1.962 1.00 0.00 N ATOM 472 NH2 ARG A 33 8.809 4.423 3.175 1.00 0.00 N ATOM 0 H ARG A 33 2.294 4.930 -1.279 1.00 0.00 H new ATOM 0 HA ARG A 33 4.407 6.425 -0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.898 3.815 -0.466 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.875 4.006 -1.908 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.535 3.470 -0.417 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.550 5.212 -0.224 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.145 5.072 1.766 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.889 3.356 1.523 1.00 0.00 H new ATOM 0 HE ARG A 33 6.910 2.931 2.576 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.849 6.258 1.399 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.389 6.677 2.156 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.888 3.476 3.546 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.540 5.108 3.367 1.00 0.00 H new ATOM 486 N VAL A 34 4.701 5.912 -3.445 1.00 0.00 N ATOM 487 CA VAL A 34 5.299 6.445 -4.663 1.00 0.00 C ATOM 488 C VAL A 34 4.681 7.788 -5.036 1.00 0.00 C ATOM 489 O VAL A 34 5.358 8.668 -5.566 1.00 0.00 O ATOM 490 CB VAL A 34 5.134 5.470 -5.843 1.00 0.00 C ATOM 491 CG1 VAL A 34 3.661 5.210 -6.119 1.00 0.00 C ATOM 492 CG2 VAL A 34 5.829 6.013 -7.083 1.00 0.00 C ATOM 0 H VAL A 34 4.176 5.047 -3.577 1.00 0.00 H new ATOM 0 HA VAL A 34 6.361 6.581 -4.461 1.00 0.00 H new ATOM 0 HB VAL A 34 5.602 4.522 -5.577 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.564 4.519 -6.956 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.196 4.775 -5.234 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.166 6.149 -6.365 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.703 5.311 -7.908 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.392 6.974 -7.354 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.891 6.143 -6.877 1.00 0.00 H new ATOM 502 N GLU A 35 3.390 7.938 -4.755 1.00 0.00 N ATOM 503 CA GLU A 35 2.681 9.174 -5.062 1.00 0.00 C ATOM 504 C GLU A 35 3.342 10.366 -4.376 1.00 0.00 C ATOM 505 O GLU A 35 3.286 11.491 -4.872 1.00 0.00 O ATOM 506 CB GLU A 35 1.217 9.069 -4.628 1.00 0.00 C ATOM 507 CG GLU A 35 0.538 7.788 -5.082 1.00 0.00 C ATOM 508 CD GLU A 35 0.859 7.436 -6.521 1.00 0.00 C ATOM 509 OE1 GLU A 35 1.001 8.365 -7.343 1.00 0.00 O ATOM 510 OE2 GLU A 35 0.970 6.230 -6.826 1.00 0.00 O ATOM 0 H GLU A 35 2.815 7.219 -4.316 1.00 0.00 H new ATOM 0 HA GLU A 35 2.723 9.329 -6.140 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.164 9.133 -3.541 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.667 9.922 -5.025 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.847 6.968 -4.434 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.541 7.894 -4.970 1.00 0.00 H new ATOM 517 N TYR A 36 3.967 10.110 -3.232 1.00 0.00 N ATOM 518 CA TYR A 36 4.636 11.161 -2.475 1.00 0.00 C ATOM 519 C TYR A 36 6.113 11.246 -2.849 1.00 0.00 C ATOM 520 O TYR A 36 6.723 12.314 -2.784 1.00 0.00 O ATOM 521 CB TYR A 36 4.493 10.908 -0.973 1.00 0.00 C ATOM 522 CG TYR A 36 3.177 11.384 -0.402 1.00 0.00 C ATOM 523 CD1 TYR A 36 1.969 10.977 -0.954 1.00 0.00 C ATOM 524 CD2 TYR A 36 3.141 12.242 0.691 1.00 0.00 C ATOM 525 CE1 TYR A 36 0.764 11.410 -0.435 1.00 0.00 C ATOM 526 CE2 TYR A 36 1.941 12.679 1.218 1.00 0.00 C ATOM 527 CZ TYR A 36 0.755 12.261 0.650 1.00 0.00 C ATOM 528 OH TYR A 36 -0.443 12.694 1.171 1.00 0.00 O ATOM 0 H TYR A 36 4.024 9.184 -2.809 1.00 0.00 H new ATOM 0 HA TYR A 36 4.161 12.110 -2.723 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.598 9.840 -0.781 1.00 0.00 H new ATOM 0 HB3 TYR A 36 5.308 11.407 -0.450 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.972 10.310 -1.804 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.068 12.573 1.136 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.166 11.084 -0.877 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.931 13.344 2.069 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.514 12.412 2.107 1.00 0.00 H new ATOM 538 N THR A 37 6.683 10.111 -3.243 1.00 0.00 N ATOM 539 CA THR A 37 8.087 10.055 -3.627 1.00 0.00 C ATOM 540 C THR A 37 8.365 10.950 -4.829 1.00 0.00 C ATOM 541 O THR A 37 9.398 11.616 -4.893 1.00 0.00 O ATOM 542 CB THR A 37 8.520 8.615 -3.963 1.00 0.00 C ATOM 543 OG1 THR A 37 7.920 7.696 -3.044 1.00 0.00 O ATOM 544 CG2 THR A 37 10.034 8.479 -3.909 1.00 0.00 C ATOM 0 H THR A 37 6.193 9.218 -3.304 1.00 0.00 H new ATOM 0 HA THR A 37 8.663 10.410 -2.772 1.00 0.00 H new ATOM 0 HB THR A 37 8.186 8.385 -4.975 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.949 7.829 -3.035 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.316 7.454 -4.150 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.486 9.159 -4.631 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.386 8.727 -2.908 1.00 0.00 H new ATOM 552 N GLN A 38 7.436 10.961 -5.780 1.00 0.00 N ATOM 553 CA GLN A 38 7.582 11.776 -6.980 1.00 0.00 C ATOM 554 C GLN A 38 7.088 13.198 -6.736 1.00 0.00 C ATOM 555 O GLN A 38 7.566 14.147 -7.358 1.00 0.00 O ATOM 556 CB GLN A 38 6.812 11.149 -8.144 1.00 0.00 C ATOM 557 CG GLN A 38 7.384 9.819 -8.605 1.00 0.00 C ATOM 558 CD GLN A 38 6.952 9.454 -10.012 1.00 0.00 C ATOM 559 OE1 GLN A 38 7.279 10.149 -10.974 1.00 0.00 O ATOM 560 NE2 GLN A 38 6.213 8.358 -10.139 1.00 0.00 N ATOM 0 H GLN A 38 6.575 10.415 -5.743 1.00 0.00 H new ATOM 0 HA GLN A 38 8.641 11.818 -7.234 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.774 11.005 -7.846 1.00 0.00 H new ATOM 0 HB3 GLN A 38 6.809 11.844 -8.983 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.472 9.862 -8.563 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.069 9.034 -7.917 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.965 7.812 -9.314 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.893 8.063 -11.061 1.00 0.00 H new ATOM 569 N MET A 39 6.129 13.339 -5.827 1.00 0.00 N ATOM 570 CA MET A 39 5.572 14.646 -5.500 1.00 0.00 C ATOM 571 C MET A 39 6.561 15.470 -4.682 1.00 0.00 C ATOM 572 O MET A 39 6.643 16.689 -4.833 1.00 0.00 O ATOM 573 CB MET A 39 4.261 14.487 -4.727 1.00 0.00 C ATOM 574 CG MET A 39 3.034 14.417 -5.621 1.00 0.00 C ATOM 575 SD MET A 39 1.501 14.721 -4.721 1.00 0.00 S ATOM 576 CE MET A 39 0.821 13.066 -4.641 1.00 0.00 C ATOM 0 H MET A 39 5.721 12.564 -5.304 1.00 0.00 H new ATOM 0 HA MET A 39 5.373 15.172 -6.434 1.00 0.00 H new ATOM 0 HB2 MET A 39 4.312 13.581 -4.123 1.00 0.00 H new ATOM 0 HB3 MET A 39 4.151 15.324 -4.038 1.00 0.00 H new ATOM 0 HG2 MET A 39 3.131 15.149 -6.423 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.987 13.434 -6.090 1.00 0.00 H new ATOM 0 HE1 MET A 39 -0.260 13.123 -4.517 1.00 0.00 H new ATOM 0 HE2 MET A 39 1.054 12.532 -5.562 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.256 12.535 -3.794 1.00 0.00 H new ATOM 586 N TYR A 40 7.310 14.797 -3.815 1.00 0.00 N ATOM 587 CA TYR A 40 8.292 15.468 -2.971 1.00 0.00 C ATOM 588 C TYR A 40 9.647 14.773 -3.055 1.00 0.00 C ATOM 589 O TYR A 40 10.100 14.122 -2.113 1.00 0.00 O ATOM 590 CB TYR A 40 7.811 15.499 -1.519 1.00 0.00 C ATOM 591 CG TYR A 40 6.462 16.158 -1.342 1.00 0.00 C ATOM 592 CD1 TYR A 40 5.288 15.474 -1.633 1.00 0.00 C ATOM 593 CD2 TYR A 40 6.361 17.465 -0.882 1.00 0.00 C ATOM 594 CE1 TYR A 40 4.054 16.072 -1.474 1.00 0.00 C ATOM 595 CE2 TYR A 40 5.130 18.071 -0.718 1.00 0.00 C ATOM 596 CZ TYR A 40 3.980 17.371 -1.015 1.00 0.00 C ATOM 597 OH TYR A 40 2.752 17.971 -0.854 1.00 0.00 O ATOM 0 H TYR A 40 7.256 13.788 -3.678 1.00 0.00 H new ATOM 0 HA TYR A 40 8.405 16.491 -3.331 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.760 14.478 -1.140 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.547 16.028 -0.913 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.342 14.456 -1.990 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.260 18.017 -0.649 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.152 15.526 -1.708 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.069 19.088 -0.359 1.00 0.00 H new ATOM 0 HH TYR A 40 2.875 18.885 -0.522 1.00 0.00 H new ATOM 607 N PRO A 41 10.313 14.914 -4.211 1.00 0.00 N ATOM 608 CA PRO A 41 11.627 14.309 -4.447 1.00 0.00 C ATOM 609 C PRO A 41 12.726 14.969 -3.621 1.00 0.00 C ATOM 610 O PRO A 41 13.714 14.331 -3.262 1.00 0.00 O ATOM 611 CB PRO A 41 11.864 14.548 -5.940 1.00 0.00 C ATOM 612 CG PRO A 41 11.043 15.747 -6.267 1.00 0.00 C ATOM 613 CD PRO A 41 9.833 15.676 -5.377 1.00 0.00 C ATOM 0 HA PRO A 41 11.649 13.258 -4.161 1.00 0.00 H new ATOM 0 HB2 PRO A 41 12.919 14.722 -6.150 1.00 0.00 H new ATOM 0 HB3 PRO A 41 11.558 13.686 -6.532 1.00 0.00 H new ATOM 0 HG2 PRO A 41 11.604 16.664 -6.090 1.00 0.00 H new ATOM 0 HG3 PRO A 41 10.755 15.748 -7.318 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.484 16.669 -5.093 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.000 15.175 -5.870 1.00 0.00 H new ATOM 621 N GLY A 42 12.546 16.252 -3.322 1.00 0.00 N ATOM 622 CA GLY A 42 13.530 16.977 -2.539 1.00 0.00 C ATOM 623 C GLY A 42 13.553 16.540 -1.088 1.00 0.00 C ATOM 624 O GLY A 42 14.569 16.679 -0.406 1.00 0.00 O ATOM 0 H GLY A 42 11.736 16.802 -3.608 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.518 16.829 -2.975 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.316 18.044 -2.590 1.00 0.00 H new ATOM 628 N LYS A 43 12.431 16.011 -0.613 1.00 0.00 N ATOM 629 CA LYS A 43 12.325 15.552 0.767 1.00 0.00 C ATOM 630 C LYS A 43 12.792 14.106 0.896 1.00 0.00 C ATOM 631 O LYS A 43 12.792 13.354 -0.079 1.00 0.00 O ATOM 632 CB LYS A 43 10.881 15.679 1.259 1.00 0.00 C ATOM 633 CG LYS A 43 10.416 17.116 1.413 1.00 0.00 C ATOM 634 CD LYS A 43 8.984 17.188 1.917 1.00 0.00 C ATOM 635 CE LYS A 43 8.384 18.568 1.698 1.00 0.00 C ATOM 636 NZ LYS A 43 8.736 19.507 2.799 1.00 0.00 N ATOM 0 H LYS A 43 11.581 15.889 -1.164 1.00 0.00 H new ATOM 0 HA LYS A 43 12.969 16.180 1.383 1.00 0.00 H new ATOM 0 HB2 LYS A 43 10.221 15.165 0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 43 10.787 15.171 2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.074 17.640 2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.491 17.628 0.454 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.379 16.441 1.403 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.958 16.943 2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.738 18.972 0.749 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.300 18.485 1.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 8.308 20.436 2.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.376 19.135 3.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.770 19.606 2.853 1.00 0.00 H new ATOM 650 N ASP A 44 13.187 13.723 2.105 1.00 0.00 N ATOM 651 CA ASP A 44 13.654 12.365 2.363 1.00 0.00 C ATOM 652 C ASP A 44 12.489 11.449 2.723 1.00 0.00 C ATOM 653 O ASP A 44 11.420 11.914 3.117 1.00 0.00 O ATOM 654 CB ASP A 44 14.688 12.364 3.490 1.00 0.00 C ATOM 655 CG ASP A 44 15.943 13.132 3.125 1.00 0.00 C ATOM 656 OD1 ASP A 44 16.537 12.831 2.068 1.00 0.00 O ATOM 657 OD2 ASP A 44 16.331 14.035 3.896 1.00 0.00 O ATOM 0 H ASP A 44 13.193 14.333 2.922 1.00 0.00 H new ATOM 0 HA ASP A 44 14.120 11.988 1.453 1.00 0.00 H new ATOM 0 HB2 ASP A 44 14.246 12.801 4.385 1.00 0.00 H new ATOM 0 HB3 ASP A 44 14.953 11.336 3.735 1.00 0.00 H new ATOM 662 N ASN A 45 12.704 10.145 2.585 1.00 0.00 N ATOM 663 CA ASN A 45 11.670 9.163 2.895 1.00 0.00 C ATOM 664 C ASN A 45 11.110 9.387 4.296 1.00 0.00 C ATOM 665 O ASN A 45 9.905 9.272 4.519 1.00 0.00 O ATOM 666 CB ASN A 45 12.234 7.745 2.779 1.00 0.00 C ATOM 667 CG ASN A 45 13.611 7.618 3.400 1.00 0.00 C ATOM 668 OD1 ASN A 45 13.743 7.432 4.610 1.00 0.00 O ATOM 669 ND2 ASN A 45 14.645 7.717 2.573 1.00 0.00 N ATOM 0 H ASN A 45 13.584 9.743 2.261 1.00 0.00 H new ATOM 0 HA ASN A 45 10.860 9.285 2.176 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.554 7.045 3.265 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.285 7.462 1.728 1.00 0.00 H new ATOM 0 HD21 ASN A 45 15.596 7.639 2.934 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.488 7.871 1.577 1.00 0.00 H new ATOM 676 N ARG A 46 11.993 9.707 5.236 1.00 0.00 N ATOM 677 CA ARG A 46 11.587 9.946 6.616 1.00 0.00 C ATOM 678 C ARG A 46 10.547 11.060 6.691 1.00 0.00 C ATOM 679 O ARG A 46 9.672 11.049 7.557 1.00 0.00 O ATOM 680 CB ARG A 46 12.802 10.310 7.472 1.00 0.00 C ATOM 681 CG ARG A 46 12.484 10.453 8.951 1.00 0.00 C ATOM 682 CD ARG A 46 12.550 9.113 9.667 1.00 0.00 C ATOM 683 NE ARG A 46 13.923 8.638 9.814 1.00 0.00 N ATOM 684 CZ ARG A 46 14.796 9.167 10.663 1.00 0.00 C ATOM 685 NH1 ARG A 46 14.441 10.184 11.437 1.00 0.00 N ATOM 686 NH2 ARG A 46 16.028 8.680 10.740 1.00 0.00 N ATOM 0 H ARG A 46 12.994 9.807 5.067 1.00 0.00 H new ATOM 0 HA ARG A 46 11.141 9.029 7.001 1.00 0.00 H new ATOM 0 HB2 ARG A 46 13.567 9.544 7.346 1.00 0.00 H new ATOM 0 HB3 ARG A 46 13.225 11.246 7.108 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.188 11.147 9.410 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.489 10.882 9.071 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.091 9.205 10.651 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.969 8.376 9.112 1.00 0.00 H new ATOM 0 HE ARG A 46 14.228 7.857 9.233 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.495 10.562 11.381 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.114 10.588 12.088 1.00 0.00 H new ATOM 0 HH21 ARG A 46 16.305 7.898 10.146 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.698 9.087 11.393 1.00 0.00 H new ATOM 700 N ALA A 47 10.649 12.021 5.778 1.00 0.00 N ATOM 701 CA ALA A 47 9.716 13.140 5.740 1.00 0.00 C ATOM 702 C ALA A 47 8.397 12.734 5.093 1.00 0.00 C ATOM 703 O ALA A 47 7.323 13.116 5.559 1.00 0.00 O ATOM 704 CB ALA A 47 10.333 14.315 4.995 1.00 0.00 C ATOM 0 H ALA A 47 11.368 12.047 5.055 1.00 0.00 H new ATOM 0 HA ALA A 47 9.508 13.443 6.766 1.00 0.00 H new ATOM 0 HB1 ALA A 47 9.626 15.144 4.974 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.245 14.629 5.502 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.570 14.015 3.974 1.00 0.00 H new ATOM 710 N ILE A 48 8.485 11.960 4.017 1.00 0.00 N ATOM 711 CA ILE A 48 7.297 11.502 3.306 1.00 0.00 C ATOM 712 C ILE A 48 6.301 10.853 4.261 1.00 0.00 C ATOM 713 O ILE A 48 5.110 11.163 4.236 1.00 0.00 O ATOM 714 CB ILE A 48 7.658 10.497 2.196 1.00 0.00 C ATOM 715 CG1 ILE A 48 8.633 11.130 1.201 1.00 0.00 C ATOM 716 CG2 ILE A 48 6.400 10.021 1.485 1.00 0.00 C ATOM 717 CD1 ILE A 48 8.080 12.357 0.511 1.00 0.00 C ATOM 0 H ILE A 48 9.366 11.637 3.618 1.00 0.00 H new ATOM 0 HA ILE A 48 6.841 12.382 2.853 1.00 0.00 H new ATOM 0 HB ILE A 48 8.144 9.634 2.651 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.550 11.400 1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.902 10.390 0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.670 9.311 0.703 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.738 9.536 2.202 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.889 10.874 1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.825 12.753 -0.180 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.179 12.089 -0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.837 13.115 1.256 1.00 0.00 H new ATOM 729 N SER A 49 6.798 9.953 5.103 1.00 0.00 N ATOM 730 CA SER A 49 5.951 9.258 6.066 1.00 0.00 C ATOM 731 C SER A 49 5.237 10.251 6.977 1.00 0.00 C ATOM 732 O SER A 49 4.025 10.167 7.177 1.00 0.00 O ATOM 733 CB SER A 49 6.786 8.288 6.905 1.00 0.00 C ATOM 734 OG SER A 49 8.124 8.740 7.025 1.00 0.00 O ATOM 0 H SER A 49 7.782 9.688 5.138 1.00 0.00 H new ATOM 0 HA SER A 49 5.200 8.695 5.512 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.343 8.185 7.896 1.00 0.00 H new ATOM 0 HB3 SER A 49 6.772 7.300 6.445 1.00 0.00 H new ATOM 0 HG SER A 49 8.128 9.694 7.250 1.00 0.00 H new ATOM 740 N VAL A 50 5.997 11.192 7.528 1.00 0.00 N ATOM 741 CA VAL A 50 5.438 12.203 8.417 1.00 0.00 C ATOM 742 C VAL A 50 4.279 12.939 7.754 1.00 0.00 C ATOM 743 O VAL A 50 3.206 13.084 8.340 1.00 0.00 O ATOM 744 CB VAL A 50 6.505 13.228 8.843 1.00 0.00 C ATOM 745 CG1 VAL A 50 5.896 14.290 9.746 1.00 0.00 C ATOM 746 CG2 VAL A 50 7.667 12.531 9.535 1.00 0.00 C ATOM 0 H VAL A 50 7.002 11.275 7.374 1.00 0.00 H new ATOM 0 HA VAL A 50 5.074 11.679 9.301 1.00 0.00 H new ATOM 0 HB VAL A 50 6.887 13.721 7.949 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.665 15.005 10.037 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.101 14.810 9.212 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.485 13.817 10.638 1.00 0.00 H new ATOM 0 HG21 VAL A 50 8.412 13.271 9.829 1.00 0.00 H new ATOM 0 HG22 VAL A 50 7.303 12.010 10.421 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.120 11.813 8.851 1.00 0.00 H new ATOM 756 N ILE A 51 4.502 13.400 6.528 1.00 0.00 N ATOM 757 CA ILE A 51 3.476 14.119 5.784 1.00 0.00 C ATOM 758 C ILE A 51 2.310 13.202 5.430 1.00 0.00 C ATOM 759 O ILE A 51 1.180 13.658 5.247 1.00 0.00 O ATOM 760 CB ILE A 51 4.043 14.731 4.490 1.00 0.00 C ATOM 761 CG1 ILE A 51 5.196 15.685 4.814 1.00 0.00 C ATOM 762 CG2 ILE A 51 2.948 15.457 3.722 1.00 0.00 C ATOM 763 CD1 ILE A 51 6.088 15.979 3.628 1.00 0.00 C ATOM 0 H ILE A 51 5.385 13.288 6.029 1.00 0.00 H new ATOM 0 HA ILE A 51 3.122 14.922 6.431 1.00 0.00 H new ATOM 0 HB ILE A 51 4.427 13.926 3.863 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.787 16.622 5.192 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.799 15.255 5.614 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.365 15.884 2.810 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.157 14.753 3.464 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.537 16.255 4.341 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.883 16.661 3.931 1.00 0.00 H new ATOM 0 HD12 ILE A 51 6.526 15.050 3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 51 5.499 16.438 2.834 1.00 0.00 H new ATOM 775 N LEU A 52 2.590 11.907 5.335 1.00 0.00 N ATOM 776 CA LEU A 52 1.564 10.924 5.005 1.00 0.00 C ATOM 777 C LEU A 52 0.621 10.704 6.184 1.00 0.00 C ATOM 778 O LEU A 52 -0.596 10.644 6.016 1.00 0.00 O ATOM 779 CB LEU A 52 2.211 9.599 4.600 1.00 0.00 C ATOM 780 CG LEU A 52 2.569 9.451 3.121 1.00 0.00 C ATOM 781 CD1 LEU A 52 3.478 8.251 2.909 1.00 0.00 C ATOM 782 CD2 LEU A 52 1.309 9.324 2.277 1.00 0.00 C ATOM 0 H LEU A 52 3.519 11.513 5.482 1.00 0.00 H new ATOM 0 HA LEU A 52 0.983 11.309 4.167 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.119 9.467 5.188 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.534 8.789 4.872 1.00 0.00 H new ATOM 0 HG LEU A 52 3.105 10.346 2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.722 8.162 1.850 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.395 8.383 3.483 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.969 7.346 3.242 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.583 9.220 1.227 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.746 8.446 2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.694 10.215 2.404 1.00 0.00 H new ATOM 794 N GLY A 53 1.194 10.585 7.379 1.00 0.00 N ATOM 795 CA GLY A 53 0.390 10.374 8.568 1.00 0.00 C ATOM 796 C GLY A 53 -0.643 11.465 8.771 1.00 0.00 C ATOM 797 O GLY A 53 -1.799 11.184 9.088 1.00 0.00 O ATOM 0 H GLY A 53 2.200 10.631 7.544 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -0.114 9.410 8.496 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.042 10.328 9.440 1.00 0.00 H new ATOM 801 N ASP A 54 -0.226 12.713 8.590 1.00 0.00 N ATOM 802 CA ASP A 54 -1.123 13.851 8.755 1.00 0.00 C ATOM 803 C ASP A 54 -2.395 13.663 7.935 1.00 0.00 C ATOM 804 O ASP A 54 -3.504 13.809 8.449 1.00 0.00 O ATOM 805 CB ASP A 54 -0.421 15.146 8.342 1.00 0.00 C ATOM 806 CG ASP A 54 -1.034 16.370 8.993 1.00 0.00 C ATOM 807 OD1 ASP A 54 -1.127 16.396 10.239 1.00 0.00 O ATOM 808 OD2 ASP A 54 -1.420 17.302 8.258 1.00 0.00 O ATOM 0 H ASP A 54 0.728 12.963 8.329 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.397 13.916 9.808 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.634 15.085 8.610 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.469 15.252 7.258 1.00 0.00 H new ATOM 813 N ARG A 55 -2.227 13.340 6.656 1.00 0.00 N ATOM 814 CA ARG A 55 -3.362 13.135 5.764 1.00 0.00 C ATOM 815 C ARG A 55 -4.258 12.010 6.275 1.00 0.00 C ATOM 816 O ARG A 55 -5.476 12.047 6.100 1.00 0.00 O ATOM 817 CB ARG A 55 -2.874 12.811 4.351 1.00 0.00 C ATOM 818 CG ARG A 55 -2.237 13.995 3.641 1.00 0.00 C ATOM 819 CD ARG A 55 -2.769 14.147 2.225 1.00 0.00 C ATOM 820 NE ARG A 55 -1.962 15.073 1.434 1.00 0.00 N ATOM 821 CZ ARG A 55 -1.986 16.391 1.596 1.00 0.00 C ATOM 822 NH1 ARG A 55 -2.771 16.936 2.515 1.00 0.00 N ATOM 823 NH2 ARG A 55 -1.223 17.168 0.837 1.00 0.00 N ATOM 0 H ARG A 55 -1.316 13.215 6.215 1.00 0.00 H new ATOM 0 HA ARG A 55 -3.944 14.056 5.738 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.151 11.997 4.403 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -3.715 12.452 3.758 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -2.433 14.907 4.204 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -1.155 13.865 3.612 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -2.785 13.172 1.737 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -3.799 14.503 2.261 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.347 14.686 0.718 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -3.359 16.343 3.100 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.787 17.949 2.637 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -0.618 16.753 0.129 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.242 18.180 0.962 1.00 0.00 H new ATOM 837 N TRP A 56 -3.647 11.013 6.904 1.00 0.00 N ATOM 838 CA TRP A 56 -4.389 9.878 7.439 1.00 0.00 C ATOM 839 C TRP A 56 -5.189 10.283 8.673 1.00 0.00 C ATOM 840 O TRP A 56 -6.203 9.665 8.998 1.00 0.00 O ATOM 841 CB TRP A 56 -3.434 8.736 7.788 1.00 0.00 C ATOM 842 CG TRP A 56 -4.104 7.594 8.490 1.00 0.00 C ATOM 843 CD1 TRP A 56 -4.246 7.432 9.839 1.00 0.00 C ATOM 844 CD2 TRP A 56 -4.720 6.455 7.880 1.00 0.00 C ATOM 845 NE1 TRP A 56 -4.914 6.260 10.104 1.00 0.00 N ATOM 846 CE2 TRP A 56 -5.217 5.643 8.919 1.00 0.00 C ATOM 847 CE3 TRP A 56 -4.903 6.043 6.557 1.00 0.00 C ATOM 848 CZ2 TRP A 56 -5.882 4.445 8.673 1.00 0.00 C ATOM 849 CZ3 TRP A 56 -5.563 4.853 6.315 1.00 0.00 C ATOM 850 CH2 TRP A 56 -6.047 4.066 7.369 1.00 0.00 C ATOM 0 H TRP A 56 -2.639 10.968 7.056 1.00 0.00 H new ATOM 0 HA TRP A 56 -5.086 9.538 6.673 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -2.969 8.368 6.873 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -2.633 9.122 8.419 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -3.886 8.123 10.587 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.146 5.907 11.032 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.535 6.644 5.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -6.255 3.836 9.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -5.708 4.524 5.297 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -6.560 3.142 7.147 1.00 0.00 H new ATOM 861 N LYS A 57 -4.726 11.324 9.357 1.00 0.00 N ATOM 862 CA LYS A 57 -5.399 11.813 10.555 1.00 0.00 C ATOM 863 C LYS A 57 -6.470 12.838 10.197 1.00 0.00 C ATOM 864 O LYS A 57 -7.480 12.963 10.890 1.00 0.00 O ATOM 865 CB LYS A 57 -4.384 12.435 11.516 1.00 0.00 C ATOM 866 CG LYS A 57 -3.258 11.492 11.906 1.00 0.00 C ATOM 867 CD LYS A 57 -2.011 12.254 12.320 1.00 0.00 C ATOM 868 CE LYS A 57 -2.265 13.112 13.551 1.00 0.00 C ATOM 869 NZ LYS A 57 -2.722 12.297 14.710 1.00 0.00 N ATOM 0 H LYS A 57 -3.887 11.845 9.102 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.881 10.966 11.043 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.957 13.325 11.054 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -4.902 12.761 12.418 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.585 10.854 12.727 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.024 10.837 11.067 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.205 11.550 12.526 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.679 12.886 11.496 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.351 13.643 13.818 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.016 13.867 13.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.657 12.863 15.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.709 12.004 14.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.120 11.454 14.800 1.00 0.00 H new ATOM 883 N LYS A 58 -6.244 13.568 9.110 1.00 0.00 N ATOM 884 CA LYS A 58 -7.191 14.581 8.658 1.00 0.00 C ATOM 885 C LYS A 58 -8.416 13.934 8.020 1.00 0.00 C ATOM 886 O LYS A 58 -9.509 14.498 8.041 1.00 0.00 O ATOM 887 CB LYS A 58 -6.520 15.525 7.658 1.00 0.00 C ATOM 888 CG LYS A 58 -6.284 16.922 8.205 1.00 0.00 C ATOM 889 CD LYS A 58 -4.814 17.164 8.501 1.00 0.00 C ATOM 890 CE LYS A 58 -4.440 16.684 9.895 1.00 0.00 C ATOM 891 NZ LYS A 58 -4.316 17.815 10.857 1.00 0.00 N ATOM 0 H LYS A 58 -5.413 13.477 8.525 1.00 0.00 H new ATOM 0 HA LYS A 58 -7.516 15.153 9.527 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.565 15.098 7.352 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.140 15.594 6.764 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.637 17.660 7.485 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.867 17.060 9.116 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.203 16.647 7.761 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -4.594 18.228 8.410 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.195 15.984 10.253 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.497 16.140 9.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.060 17.446 11.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.578 18.470 10.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -5.224 18.319 10.919 1.00 0.00 H new ATOM 905 N MET A 59 -8.225 12.747 7.453 1.00 0.00 N ATOM 906 CA MET A 59 -9.316 12.022 6.811 1.00 0.00 C ATOM 907 C MET A 59 -10.427 11.716 7.810 1.00 0.00 C ATOM 908 O MET A 59 -10.304 12.007 9.000 1.00 0.00 O ATOM 909 CB MET A 59 -8.798 10.723 6.192 1.00 0.00 C ATOM 910 CG MET A 59 -8.317 10.882 4.759 1.00 0.00 C ATOM 911 SD MET A 59 -8.072 9.300 3.928 1.00 0.00 S ATOM 912 CE MET A 59 -6.737 8.609 4.902 1.00 0.00 C ATOM 0 H MET A 59 -7.325 12.267 7.425 1.00 0.00 H new ATOM 0 HA MET A 59 -9.725 12.654 6.022 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.979 10.341 6.801 1.00 0.00 H new ATOM 0 HB3 MET A 59 -9.591 9.976 6.220 1.00 0.00 H new ATOM 0 HG2 MET A 59 -9.042 11.473 4.200 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.380 11.439 4.754 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.519 7.599 4.556 1.00 0.00 H new ATOM 0 HE2 MET A 59 -5.848 9.230 4.793 1.00 0.00 H new ATOM 0 HE3 MET A 59 -7.031 8.577 5.951 1.00 0.00 H new ATOM 922 N LYS A 60 -11.512 11.127 7.319 1.00 0.00 N ATOM 923 CA LYS A 60 -12.645 10.780 8.168 1.00 0.00 C ATOM 924 C LYS A 60 -12.637 9.292 8.506 1.00 0.00 C ATOM 925 O LYS A 60 -11.684 8.580 8.191 1.00 0.00 O ATOM 926 CB LYS A 60 -13.959 11.149 7.476 1.00 0.00 C ATOM 927 CG LYS A 60 -14.047 12.612 7.078 1.00 0.00 C ATOM 928 CD LYS A 60 -14.720 13.444 8.157 1.00 0.00 C ATOM 929 CE LYS A 60 -15.406 14.668 7.570 1.00 0.00 C ATOM 930 NZ LYS A 60 -16.460 15.201 8.477 1.00 0.00 N ATOM 0 H LYS A 60 -11.630 10.880 6.337 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.558 11.346 9.096 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.077 10.531 6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -14.789 10.912 8.141 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -13.046 13.000 6.890 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -14.605 12.704 6.146 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -15.452 12.833 8.685 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.978 13.758 8.891 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -14.664 15.444 7.380 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -15.851 14.409 6.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -16.904 16.035 8.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.181 14.469 8.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -16.032 15.472 9.385 1.00 0.00 H new ATOM 944 N ASN A 61 -13.705 8.829 9.147 1.00 0.00 N ATOM 945 CA ASN A 61 -13.820 7.426 9.526 1.00 0.00 C ATOM 946 C ASN A 61 -13.975 6.540 8.294 1.00 0.00 C ATOM 947 O ASN A 61 -13.255 5.556 8.131 1.00 0.00 O ATOM 948 CB ASN A 61 -15.012 7.226 10.465 1.00 0.00 C ATOM 949 CG ASN A 61 -15.067 5.823 11.038 1.00 0.00 C ATOM 950 OD1 ASN A 61 -14.068 5.103 11.046 1.00 0.00 O ATOM 951 ND2 ASN A 61 -16.239 5.427 11.520 1.00 0.00 N ATOM 0 H ASN A 61 -14.503 9.405 9.415 1.00 0.00 H new ATOM 0 HA ASN A 61 -12.905 7.140 10.044 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -14.954 7.947 11.281 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -15.936 7.431 9.924 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -16.338 4.493 11.917 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -17.041 6.057 11.493 1.00 0.00 H new ATOM 958 N GLU A 62 -14.919 6.898 7.429 1.00 0.00 N ATOM 959 CA GLU A 62 -15.168 6.136 6.212 1.00 0.00 C ATOM 960 C GLU A 62 -13.981 6.230 5.258 1.00 0.00 C ATOM 961 O GLU A 62 -13.625 5.255 4.596 1.00 0.00 O ATOM 962 CB GLU A 62 -16.435 6.640 5.517 1.00 0.00 C ATOM 963 CG GLU A 62 -16.377 8.111 5.138 1.00 0.00 C ATOM 964 CD GLU A 62 -17.699 8.629 4.608 1.00 0.00 C ATOM 965 OE1 GLU A 62 -18.624 8.836 5.422 1.00 0.00 O ATOM 966 OE2 GLU A 62 -17.810 8.828 3.381 1.00 0.00 O ATOM 0 H GLU A 62 -15.523 7.711 7.549 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.306 5.091 6.491 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.606 6.048 4.618 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -17.289 6.476 6.174 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.085 8.696 6.010 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.605 8.258 4.383 1.00 0.00 H new ATOM 973 N GLU A 63 -13.372 7.410 5.194 1.00 0.00 N ATOM 974 CA GLU A 63 -12.226 7.632 4.321 1.00 0.00 C ATOM 975 C GLU A 63 -11.116 6.626 4.614 1.00 0.00 C ATOM 976 O GLU A 63 -10.303 6.312 3.745 1.00 0.00 O ATOM 977 CB GLU A 63 -11.695 9.057 4.491 1.00 0.00 C ATOM 978 CG GLU A 63 -12.735 10.130 4.215 1.00 0.00 C ATOM 979 CD GLU A 63 -13.060 10.262 2.739 1.00 0.00 C ATOM 980 OE1 GLU A 63 -12.160 10.653 1.967 1.00 0.00 O ATOM 981 OE2 GLU A 63 -14.214 9.974 2.358 1.00 0.00 O ATOM 0 H GLU A 63 -13.653 8.227 5.736 1.00 0.00 H new ATOM 0 HA GLU A 63 -12.555 7.495 3.291 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.321 9.178 5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -10.848 9.203 3.821 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.647 9.897 4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.373 11.087 4.590 1.00 0.00 H new ATOM 988 N ARG A 64 -11.090 6.125 5.845 1.00 0.00 N ATOM 989 CA ARG A 64 -10.080 5.157 6.254 1.00 0.00 C ATOM 990 C ARG A 64 -10.635 3.736 6.199 1.00 0.00 C ATOM 991 O ARG A 64 -9.885 2.772 6.045 1.00 0.00 O ATOM 992 CB ARG A 64 -9.586 5.469 7.668 1.00 0.00 C ATOM 993 CG ARG A 64 -8.890 6.815 7.787 1.00 0.00 C ATOM 994 CD ARG A 64 -8.609 7.170 9.238 1.00 0.00 C ATOM 995 NE ARG A 64 -8.700 8.608 9.477 1.00 0.00 N ATOM 996 CZ ARG A 64 -8.745 9.151 10.689 1.00 0.00 C ATOM 997 NH1 ARG A 64 -8.708 8.379 11.766 1.00 0.00 N ATOM 998 NH2 ARG A 64 -8.827 10.468 10.824 1.00 0.00 N ATOM 0 H ARG A 64 -11.757 6.374 6.576 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.242 5.229 5.560 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -10.433 5.446 8.353 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -8.899 4.685 7.985 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.954 6.792 7.229 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.512 7.588 7.336 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.318 6.650 9.882 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -7.614 6.819 9.511 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.731 9.230 8.669 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.645 7.366 11.665 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -8.743 8.798 12.695 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -8.856 11.065 9.997 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.862 10.884 11.755 1.00 0.00 H new ATOM 1012 N ARG A 65 -11.952 3.616 6.328 1.00 0.00 N ATOM 1013 CA ARG A 65 -12.607 2.314 6.295 1.00 0.00 C ATOM 1014 C ARG A 65 -12.188 1.525 5.058 1.00 0.00 C ATOM 1015 O ARG A 65 -11.993 0.312 5.120 1.00 0.00 O ATOM 1016 CB ARG A 65 -14.127 2.483 6.314 1.00 0.00 C ATOM 1017 CG ARG A 65 -14.874 1.232 6.746 1.00 0.00 C ATOM 1018 CD ARG A 65 -16.379 1.407 6.611 1.00 0.00 C ATOM 1019 NE ARG A 65 -17.101 0.171 6.897 1.00 0.00 N ATOM 1020 CZ ARG A 65 -18.365 -0.041 6.545 1.00 0.00 C ATOM 1021 NH1 ARG A 65 -19.041 0.897 5.896 1.00 0.00 N ATOM 1022 NH2 ARG A 65 -18.953 -1.192 6.842 1.00 0.00 N ATOM 0 H ARG A 65 -12.586 4.404 6.456 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.299 1.758 7.181 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.385 3.300 6.987 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.464 2.772 5.319 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -14.549 0.386 6.141 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -14.625 0.998 7.781 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -16.716 2.189 7.291 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -16.616 1.740 5.601 1.00 0.00 H new ATOM 0 HE ARG A 65 -16.608 -0.571 7.394 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -18.591 1.783 5.666 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -20.011 0.733 5.627 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -18.435 -1.915 7.341 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -19.923 -1.354 6.572 1.00 0.00 H new ATOM 1036 N MET A 66 -12.052 2.224 3.935 1.00 0.00 N ATOM 1037 CA MET A 66 -11.655 1.589 2.684 1.00 0.00 C ATOM 1038 C MET A 66 -10.387 0.763 2.871 1.00 0.00 C ATOM 1039 O MET A 66 -10.198 -0.261 2.213 1.00 0.00 O ATOM 1040 CB MET A 66 -11.435 2.645 1.599 1.00 0.00 C ATOM 1041 CG MET A 66 -10.373 3.672 1.957 1.00 0.00 C ATOM 1042 SD MET A 66 -10.417 5.120 0.884 1.00 0.00 S ATOM 1043 CE MET A 66 -12.036 5.780 1.272 1.00 0.00 C ATOM 0 H MET A 66 -12.211 3.229 3.866 1.00 0.00 H new ATOM 0 HA MET A 66 -12.459 0.921 2.374 1.00 0.00 H new ATOM 0 HB2 MET A 66 -11.150 2.148 0.672 1.00 0.00 H new ATOM 0 HB3 MET A 66 -12.377 3.160 1.408 1.00 0.00 H new ATOM 0 HG2 MET A 66 -10.512 3.987 2.991 1.00 0.00 H new ATOM 0 HG3 MET A 66 -9.389 3.208 1.894 1.00 0.00 H new ATOM 0 HE1 MET A 66 -12.003 6.869 1.236 1.00 0.00 H new ATOM 0 HE2 MET A 66 -12.762 5.415 0.545 1.00 0.00 H new ATOM 0 HE3 MET A 66 -12.330 5.459 2.271 1.00 0.00 H new ATOM 1053 N TYR A 67 -9.520 1.214 3.771 1.00 0.00 N ATOM 1054 CA TYR A 67 -8.268 0.518 4.043 1.00 0.00 C ATOM 1055 C TYR A 67 -8.410 -0.407 5.248 1.00 0.00 C ATOM 1056 O TYR A 67 -7.840 -1.499 5.279 1.00 0.00 O ATOM 1057 CB TYR A 67 -7.143 1.525 4.288 1.00 0.00 C ATOM 1058 CG TYR A 67 -7.089 2.634 3.262 1.00 0.00 C ATOM 1059 CD1 TYR A 67 -6.574 2.406 1.991 1.00 0.00 C ATOM 1060 CD2 TYR A 67 -7.552 3.909 3.562 1.00 0.00 C ATOM 1061 CE1 TYR A 67 -6.522 3.417 1.050 1.00 0.00 C ATOM 1062 CE2 TYR A 67 -7.505 4.924 2.627 1.00 0.00 C ATOM 1063 CZ TYR A 67 -6.989 4.674 1.373 1.00 0.00 C ATOM 1064 OH TYR A 67 -6.939 5.683 0.439 1.00 0.00 O ATOM 0 H TYR A 67 -9.661 2.059 4.325 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.021 -0.087 3.171 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -7.268 1.963 5.278 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.189 0.998 4.291 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.208 1.423 1.735 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.956 4.110 4.543 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.118 3.224 0.067 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.871 5.909 2.877 1.00 0.00 H new ATOM 0 HH TYR A 67 -7.850 5.937 0.183 1.00 0.00 H new ATOM 1074 N THR A 68 -9.174 0.038 6.241 1.00 0.00 N ATOM 1075 CA THR A 68 -9.391 -0.748 7.449 1.00 0.00 C ATOM 1076 C THR A 68 -9.904 -2.143 7.113 1.00 0.00 C ATOM 1077 O THR A 68 -9.351 -3.145 7.569 1.00 0.00 O ATOM 1078 CB THR A 68 -10.393 -0.059 8.394 1.00 0.00 C ATOM 1079 OG1 THR A 68 -10.309 1.363 8.246 1.00 0.00 O ATOM 1080 CG2 THR A 68 -10.122 -0.440 9.842 1.00 0.00 C ATOM 0 H THR A 68 -9.653 0.939 6.232 1.00 0.00 H new ATOM 0 HA THR A 68 -8.427 -0.830 7.950 1.00 0.00 H new ATOM 0 HB THR A 68 -11.396 -0.393 8.129 1.00 0.00 H new ATOM 0 HG1 THR A 68 -10.951 1.793 8.849 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.842 0.059 10.490 1.00 0.00 H new ATOM 0 HG22 THR A 68 -10.216 -1.520 9.958 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.113 -0.132 10.116 1.00 0.00 H new ATOM 1088 N LEU A 69 -10.962 -2.203 6.312 1.00 0.00 N ATOM 1089 CA LEU A 69 -11.550 -3.477 5.914 1.00 0.00 C ATOM 1090 C LEU A 69 -10.627 -4.227 4.958 1.00 0.00 C ATOM 1091 O LEU A 69 -10.368 -5.416 5.136 1.00 0.00 O ATOM 1092 CB LEU A 69 -12.911 -3.250 5.254 1.00 0.00 C ATOM 1093 CG LEU A 69 -14.107 -3.144 6.201 1.00 0.00 C ATOM 1094 CD1 LEU A 69 -14.381 -4.484 6.866 1.00 0.00 C ATOM 1095 CD2 LEU A 69 -13.864 -2.066 7.248 1.00 0.00 C ATOM 0 H LEU A 69 -11.430 -1.384 5.925 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.685 -4.082 6.810 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.858 -2.335 4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.096 -4.068 4.558 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.985 -2.865 5.618 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -15.235 -4.390 7.536 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -14.599 -5.231 6.103 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.505 -4.793 7.436 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -14.725 -2.004 7.913 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.975 -2.315 7.827 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -13.718 -1.105 6.754 1.00 0.00 H new ATOM 1107 N GLU A 70 -10.133 -3.521 3.945 1.00 0.00 N ATOM 1108 CA GLU A 70 -9.238 -4.121 2.962 1.00 0.00 C ATOM 1109 C GLU A 70 -8.070 -4.823 3.648 1.00 0.00 C ATOM 1110 O GLU A 70 -7.850 -6.018 3.453 1.00 0.00 O ATOM 1111 CB GLU A 70 -8.713 -3.053 2.000 1.00 0.00 C ATOM 1112 CG GLU A 70 -8.055 -3.626 0.756 1.00 0.00 C ATOM 1113 CD GLU A 70 -9.052 -4.278 -0.183 1.00 0.00 C ATOM 1114 OE1 GLU A 70 -10.017 -3.597 -0.589 1.00 0.00 O ATOM 1115 OE2 GLU A 70 -8.867 -5.468 -0.511 1.00 0.00 O ATOM 0 H GLU A 70 -10.337 -2.535 3.784 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.803 -4.862 2.397 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.539 -2.408 1.700 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.993 -2.425 2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.530 -2.830 0.227 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.306 -4.360 1.051 1.00 0.00 H new ATOM 1122 N ALA A 71 -7.323 -4.071 4.450 1.00 0.00 N ATOM 1123 CA ALA A 71 -6.178 -4.620 5.165 1.00 0.00 C ATOM 1124 C ALA A 71 -6.565 -5.877 5.938 1.00 0.00 C ATOM 1125 O ALA A 71 -5.806 -6.845 5.990 1.00 0.00 O ATOM 1126 CB ALA A 71 -5.594 -3.578 6.107 1.00 0.00 C ATOM 0 H ALA A 71 -7.491 -3.079 4.621 1.00 0.00 H new ATOM 0 HA ALA A 71 -5.421 -4.895 4.431 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -4.740 -4.002 6.634 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.271 -2.709 5.533 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -6.352 -3.275 6.829 1.00 0.00 H new ATOM 1132 N LYS A 72 -7.750 -5.855 6.538 1.00 0.00 N ATOM 1133 CA LYS A 72 -8.239 -6.992 7.308 1.00 0.00 C ATOM 1134 C LYS A 72 -8.345 -8.237 6.433 1.00 0.00 C ATOM 1135 O LYS A 72 -7.736 -9.266 6.726 1.00 0.00 O ATOM 1136 CB LYS A 72 -9.604 -6.670 7.922 1.00 0.00 C ATOM 1137 CG LYS A 72 -9.915 -7.476 9.171 1.00 0.00 C ATOM 1138 CD LYS A 72 -10.912 -6.757 10.064 1.00 0.00 C ATOM 1139 CE LYS A 72 -12.341 -6.967 9.586 1.00 0.00 C ATOM 1140 NZ LYS A 72 -12.749 -8.397 9.669 1.00 0.00 N ATOM 0 H LYS A 72 -8.390 -5.061 6.506 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.525 -7.191 8.108 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.642 -5.608 8.166 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.380 -6.854 7.179 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -10.315 -8.449 8.887 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -8.995 -7.659 9.725 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.813 -7.119 11.087 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.685 -5.691 10.080 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.018 -6.361 10.188 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.434 -6.622 8.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.784 -8.458 9.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.441 -8.896 8.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -12.307 -8.836 10.502 1.00 0.00 H new ATOM 1154 N ALA A 73 -9.119 -8.135 5.358 1.00 0.00 N ATOM 1155 CA ALA A 73 -9.301 -9.252 4.439 1.00 0.00 C ATOM 1156 C ALA A 73 -7.958 -9.784 3.949 1.00 0.00 C ATOM 1157 O ALA A 73 -7.768 -10.994 3.822 1.00 0.00 O ATOM 1158 CB ALA A 73 -10.165 -8.830 3.260 1.00 0.00 C ATOM 0 H ALA A 73 -9.630 -7.290 5.102 1.00 0.00 H new ATOM 0 HA ALA A 73 -9.806 -10.054 4.977 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.293 -9.674 2.582 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -11.140 -8.505 3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.682 -8.009 2.730 1.00 0.00 H new ATOM 1164 N LEU A 74 -7.031 -8.873 3.676 1.00 0.00 N ATOM 1165 CA LEU A 74 -5.705 -9.251 3.199 1.00 0.00 C ATOM 1166 C LEU A 74 -4.875 -9.862 4.324 1.00 0.00 C ATOM 1167 O LEU A 74 -3.965 -10.653 4.078 1.00 0.00 O ATOM 1168 CB LEU A 74 -4.983 -8.033 2.621 1.00 0.00 C ATOM 1169 CG LEU A 74 -5.380 -7.629 1.201 1.00 0.00 C ATOM 1170 CD1 LEU A 74 -4.613 -6.390 0.765 1.00 0.00 C ATOM 1171 CD2 LEU A 74 -5.137 -8.777 0.232 1.00 0.00 C ATOM 0 H LEU A 74 -7.173 -7.868 3.777 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.827 -9.999 2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.159 -7.184 3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.911 -8.231 2.635 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.444 -7.394 1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.908 -6.117 -0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.837 -5.566 1.443 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.543 -6.598 0.787 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.425 -8.471 -0.774 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.080 -9.044 0.241 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.731 -9.640 0.533 1.00 0.00 H new ATOM 1183 N ALA A 75 -5.198 -9.491 5.558 1.00 0.00 N ATOM 1184 CA ALA A 75 -4.486 -10.006 6.721 1.00 0.00 C ATOM 1185 C ALA A 75 -4.892 -11.445 7.022 1.00 0.00 C ATOM 1186 O ALA A 75 -4.131 -12.200 7.625 1.00 0.00 O ATOM 1187 CB ALA A 75 -4.742 -9.120 7.932 1.00 0.00 C ATOM 0 H ALA A 75 -5.948 -8.836 5.778 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.420 -9.997 6.496 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.204 -9.517 8.793 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.395 -8.108 7.722 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -5.810 -9.100 8.149 1.00 0.00 H new ATOM 1193 N GLU A 76 -6.096 -11.816 6.597 1.00 0.00 N ATOM 1194 CA GLU A 76 -6.602 -13.165 6.822 1.00 0.00 C ATOM 1195 C GLU A 76 -6.382 -14.041 5.593 1.00 0.00 C ATOM 1196 O GLU A 76 -5.983 -15.199 5.707 1.00 0.00 O ATOM 1197 CB GLU A 76 -8.091 -13.122 7.172 1.00 0.00 C ATOM 1198 CG GLU A 76 -8.447 -12.051 8.190 1.00 0.00 C ATOM 1199 CD GLU A 76 -9.628 -12.440 9.057 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -9.411 -13.108 10.090 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -10.770 -12.078 8.704 1.00 0.00 O ATOM 0 H GLU A 76 -6.738 -11.202 6.096 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.052 -13.598 7.657 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.665 -12.951 6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.392 -14.095 7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.583 -11.857 8.825 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.674 -11.121 7.669 1.00 0.00 H new ATOM 1208 N GLU A 77 -6.647 -13.479 4.417 1.00 0.00 N ATOM 1209 CA GLU A 77 -6.479 -14.210 3.167 1.00 0.00 C ATOM 1210 C GLU A 77 -5.055 -14.740 3.033 1.00 0.00 C ATOM 1211 O GLU A 77 -4.844 -15.898 2.675 1.00 0.00 O ATOM 1212 CB GLU A 77 -6.815 -13.310 1.976 1.00 0.00 C ATOM 1213 CG GLU A 77 -6.488 -13.935 0.630 1.00 0.00 C ATOM 1214 CD GLU A 77 -7.278 -13.317 -0.508 1.00 0.00 C ATOM 1215 OE1 GLU A 77 -6.805 -12.314 -1.081 1.00 0.00 O ATOM 1216 OE2 GLU A 77 -8.368 -13.837 -0.824 1.00 0.00 O ATOM 0 H GLU A 77 -6.978 -12.521 4.305 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.163 -15.058 3.177 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.877 -13.064 2.005 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.268 -12.372 2.074 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.422 -13.822 0.431 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.693 -15.005 0.671 1.00 0.00 H new ATOM 1223 N GLN A 78 -4.081 -13.882 3.322 1.00 0.00 N ATOM 1224 CA GLN A 78 -2.677 -14.263 3.233 1.00 0.00 C ATOM 1225 C GLN A 78 -2.403 -15.527 4.041 1.00 0.00 C ATOM 1226 O GLN A 78 -1.498 -16.299 3.720 1.00 0.00 O ATOM 1227 CB GLN A 78 -1.785 -13.124 3.729 1.00 0.00 C ATOM 1228 CG GLN A 78 -1.622 -11.996 2.722 1.00 0.00 C ATOM 1229 CD GLN A 78 -0.506 -12.256 1.729 1.00 0.00 C ATOM 1230 OE1 GLN A 78 0.668 -12.036 2.026 1.00 0.00 O ATOM 1231 NE2 GLN A 78 -0.868 -12.728 0.542 1.00 0.00 N ATOM 0 H GLN A 78 -4.239 -12.919 3.619 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.448 -14.466 2.187 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.205 -12.720 4.650 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -0.802 -13.525 3.976 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.559 -11.858 2.182 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.421 -11.066 3.254 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.853 -12.896 0.339 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.161 -12.923 -0.167 1.00 0.00 H new ATOM 1240 N LYS A 79 -3.190 -15.734 5.091 1.00 0.00 N ATOM 1241 CA LYS A 79 -3.034 -16.905 5.946 1.00 0.00 C ATOM 1242 C LYS A 79 -3.406 -18.180 5.196 1.00 0.00 C ATOM 1243 O LYS A 79 -2.820 -19.238 5.423 1.00 0.00 O ATOM 1244 CB LYS A 79 -3.902 -16.766 7.199 1.00 0.00 C ATOM 1245 CG LYS A 79 -3.773 -15.416 7.883 1.00 0.00 C ATOM 1246 CD LYS A 79 -2.333 -15.125 8.273 1.00 0.00 C ATOM 1247 CE LYS A 79 -1.808 -16.147 9.269 1.00 0.00 C ATOM 1248 NZ LYS A 79 -0.461 -15.777 9.785 1.00 0.00 N ATOM 0 H LYS A 79 -3.943 -15.106 5.371 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.987 -16.971 6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.945 -16.928 6.928 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.631 -17.550 7.907 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.136 -14.633 7.217 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.403 -15.396 8.772 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.706 -15.129 7.382 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.267 -14.127 8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -2.505 -16.233 10.102 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.758 -17.126 8.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.138 -16.498 10.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.210 -15.719 8.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.513 -14.854 10.262 1.00 0.00 H new ATOM 1262 N ARG A 80 -4.382 -18.071 4.300 1.00 0.00 N ATOM 1263 CA ARG A 80 -4.831 -19.215 3.516 1.00 0.00 C ATOM 1264 C ARG A 80 -3.819 -19.559 2.427 1.00 0.00 C ATOM 1265 O ARG A 80 -3.633 -20.727 2.084 1.00 0.00 O ATOM 1266 CB ARG A 80 -6.195 -18.925 2.887 1.00 0.00 C ATOM 1267 CG ARG A 80 -7.212 -18.366 3.868 1.00 0.00 C ATOM 1268 CD ARG A 80 -8.634 -18.703 3.449 1.00 0.00 C ATOM 1269 NE ARG A 80 -9.610 -18.326 4.469 1.00 0.00 N ATOM 1270 CZ ARG A 80 -10.910 -18.576 4.370 1.00 0.00 C ATOM 1271 NH1 ARG A 80 -11.389 -19.201 3.303 1.00 0.00 N ATOM 1272 NH2 ARG A 80 -11.735 -18.201 5.339 1.00 0.00 N ATOM 0 H ARG A 80 -4.877 -17.202 4.099 1.00 0.00 H new ATOM 0 HA ARG A 80 -4.922 -20.070 4.186 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -6.065 -18.217 2.069 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -6.588 -19.844 2.453 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -7.019 -18.769 4.862 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -7.098 -17.284 3.935 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -8.868 -18.190 2.516 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -8.710 -19.772 3.252 1.00 0.00 H new ATOM 0 HE ARG A 80 -9.274 -17.844 5.303 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -10.758 -19.491 2.556 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -12.388 -19.392 3.230 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -11.371 -17.720 6.161 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -12.734 -18.394 5.262 1.00 0.00 H new ATOM 1286 N LEU A 81 -3.168 -18.534 1.888 1.00 0.00 N ATOM 1287 CA LEU A 81 -2.175 -18.727 0.837 1.00 0.00 C ATOM 1288 C LEU A 81 -0.899 -19.345 1.400 1.00 0.00 C ATOM 1289 O LEU A 81 -0.441 -20.385 0.928 1.00 0.00 O ATOM 1290 CB LEU A 81 -1.853 -17.393 0.161 1.00 0.00 C ATOM 1291 CG LEU A 81 -2.756 -16.998 -1.009 1.00 0.00 C ATOM 1292 CD1 LEU A 81 -4.105 -16.512 -0.501 1.00 0.00 C ATOM 1293 CD2 LEU A 81 -2.088 -15.929 -1.861 1.00 0.00 C ATOM 0 H LEU A 81 -3.310 -17.562 2.161 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.593 -19.411 0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.902 -16.606 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.824 -17.429 -0.196 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.920 -17.879 -1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.734 -16.235 -1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.588 -17.308 0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.960 -15.644 0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.745 -15.660 -2.688 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.893 -15.047 -1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.147 -16.313 -2.255 1.00 0.00 H new ATOM 1305 N ASN A 82 -0.332 -18.699 2.413 1.00 0.00 N ATOM 1306 CA ASN A 82 0.890 -19.186 3.042 1.00 0.00 C ATOM 1307 C ASN A 82 0.633 -19.588 4.491 1.00 0.00 C ATOM 1308 O ASN A 82 1.017 -18.892 5.432 1.00 0.00 O ATOM 1309 CB ASN A 82 1.981 -18.114 2.984 1.00 0.00 C ATOM 1310 CG ASN A 82 1.904 -17.278 1.721 1.00 0.00 C ATOM 1311 OD1 ASN A 82 2.213 -17.754 0.629 1.00 0.00 O ATOM 1312 ND2 ASN A 82 1.489 -16.025 1.866 1.00 0.00 N ATOM 0 H ASN A 82 -0.699 -17.837 2.816 1.00 0.00 H new ATOM 0 HA ASN A 82 1.225 -20.066 2.493 1.00 0.00 H new ATOM 0 HB2 ASN A 82 1.893 -17.463 3.853 1.00 0.00 H new ATOM 0 HB3 ASN A 82 2.959 -18.592 3.041 1.00 0.00 H new ATOM 0 HD21 ASN A 82 1.416 -15.415 1.052 1.00 0.00 H new ATOM 0 HD22 ASN A 82 1.243 -15.673 2.791 1.00 0.00 H new ATOM 1319 N PRO A 83 -0.031 -20.739 4.677 1.00 0.00 N ATOM 1320 CA PRO A 83 -0.353 -21.260 6.009 1.00 0.00 C ATOM 1321 C PRO A 83 0.885 -21.740 6.758 1.00 0.00 C ATOM 1322 O PRO A 83 1.096 -21.385 7.918 1.00 0.00 O ATOM 1323 CB PRO A 83 -1.288 -22.436 5.712 1.00 0.00 C ATOM 1324 CG PRO A 83 -0.928 -22.867 4.333 1.00 0.00 C ATOM 1325 CD PRO A 83 -0.518 -21.619 3.602 1.00 0.00 C ATOM 0 HA PRO A 83 -0.795 -20.497 6.650 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.147 -23.245 6.429 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -2.334 -22.135 5.772 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -0.115 -23.593 4.351 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.774 -23.347 3.841 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.259 -21.822 2.865 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -1.356 -21.173 3.066 1.00 0.00 H new ATOM 1333 N ASP A 84 1.700 -22.548 6.089 1.00 0.00 N ATOM 1334 CA ASP A 84 2.919 -23.075 6.692 1.00 0.00 C ATOM 1335 C ASP A 84 2.626 -23.699 8.053 1.00 0.00 C ATOM 1336 O ASP A 84 3.411 -23.563 8.992 1.00 0.00 O ATOM 1337 CB ASP A 84 3.961 -21.965 6.841 1.00 0.00 C ATOM 1338 CG ASP A 84 3.880 -20.942 5.725 1.00 0.00 C ATOM 1339 OD1 ASP A 84 4.047 -21.332 4.550 1.00 0.00 O ATOM 1340 OD2 ASP A 84 3.652 -19.752 6.026 1.00 0.00 O ATOM 0 H ASP A 84 1.539 -22.852 5.129 1.00 0.00 H new ATOM 0 HA ASP A 84 3.315 -23.849 6.034 1.00 0.00 H new ATOM 0 HB2 ASP A 84 3.821 -21.465 7.799 1.00 0.00 H new ATOM 0 HB3 ASP A 84 4.958 -22.406 6.854 1.00 0.00 H new ATOM 1345 N CYS A 85 1.491 -24.383 8.152 1.00 0.00 N ATOM 1346 CA CYS A 85 1.093 -25.027 9.399 1.00 0.00 C ATOM 1347 C CYS A 85 0.770 -26.500 9.171 1.00 0.00 C ATOM 1348 O CYS A 85 0.296 -26.884 8.102 1.00 0.00 O ATOM 1349 CB CYS A 85 -0.119 -24.314 10.001 1.00 0.00 C ATOM 1350 SG CYS A 85 -0.220 -24.423 11.803 1.00 0.00 S ATOM 0 H CYS A 85 0.831 -24.506 7.384 1.00 0.00 H new ATOM 0 HA CYS A 85 1.928 -24.961 10.096 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.089 -23.263 9.712 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.027 -24.737 9.571 1.00 0.00 H new ATOM 0 HG CYS A 85 -1.276 -23.788 12.218 1.00 0.00 H new ATOM 1356 N TRP A 86 1.032 -27.320 10.182 1.00 0.00 N ATOM 1357 CA TRP A 86 0.772 -28.753 10.091 1.00 0.00 C ATOM 1358 C TRP A 86 -0.700 -29.056 10.350 1.00 0.00 C ATOM 1359 O TRP A 86 -1.125 -30.210 10.298 1.00 0.00 O ATOM 1360 CB TRP A 86 1.646 -29.515 11.088 1.00 0.00 C ATOM 1361 CG TRP A 86 1.251 -29.292 12.517 1.00 0.00 C ATOM 1362 CD1 TRP A 86 0.511 -28.255 13.010 1.00 0.00 C ATOM 1363 CD2 TRP A 86 1.576 -30.123 13.636 1.00 0.00 C ATOM 1364 NE1 TRP A 86 0.358 -28.391 14.368 1.00 0.00 N ATOM 1365 CE2 TRP A 86 1.001 -29.530 14.777 1.00 0.00 C ATOM 1366 CE3 TRP A 86 2.296 -31.311 13.785 1.00 0.00 C ATOM 1367 CZ2 TRP A 86 1.125 -30.086 16.047 1.00 0.00 C ATOM 1368 CZ3 TRP A 86 2.418 -31.862 15.047 1.00 0.00 C ATOM 1369 CH2 TRP A 86 1.835 -31.250 16.164 1.00 0.00 C ATOM 0 H TRP A 86 1.424 -27.018 11.074 1.00 0.00 H new ATOM 0 HA TRP A 86 1.018 -29.079 9.080 1.00 0.00 H new ATOM 0 HB2 TRP A 86 1.593 -30.581 10.866 1.00 0.00 H new ATOM 0 HB3 TRP A 86 2.685 -29.213 10.954 1.00 0.00 H new ATOM 0 HD1 TRP A 86 0.106 -27.447 12.419 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -0.152 -27.748 14.974 1.00 0.00 H new ATOM 0 HE3 TRP A 86 2.749 -31.790 12.930 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 0.677 -29.615 16.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 2.972 -32.780 15.174 1.00 0.00 H new ATOM 0 HH2 TRP A 86 1.948 -31.706 17.137 1.00 0.00 H new ATOM 1380 N LYS A 87 -1.474 -28.013 10.631 1.00 0.00 N ATOM 1381 CA LYS A 87 -2.899 -28.167 10.897 1.00 0.00 C ATOM 1382 C LYS A 87 -3.591 -28.898 9.751 1.00 0.00 C ATOM 1383 O LYS A 87 -4.596 -29.579 9.954 1.00 0.00 O ATOM 1384 CB LYS A 87 -3.550 -26.798 11.109 1.00 0.00 C ATOM 1385 CG LYS A 87 -4.765 -26.836 12.020 1.00 0.00 C ATOM 1386 CD LYS A 87 -4.521 -26.065 13.307 1.00 0.00 C ATOM 1387 CE LYS A 87 -3.925 -26.956 14.386 1.00 0.00 C ATOM 1388 NZ LYS A 87 -2.437 -26.974 14.332 1.00 0.00 N ATOM 0 H LYS A 87 -1.138 -27.051 10.680 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.011 -28.761 11.804 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.812 -26.115 11.530 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.844 -26.391 10.141 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -5.625 -26.414 11.499 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -5.012 -27.871 12.256 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.848 -25.230 13.110 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.460 -25.641 13.662 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.248 -26.605 15.366 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -4.305 -27.971 14.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.107 -27.947 14.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.110 -26.364 13.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.053 -26.624 15.233 1.00 0.00 H new TER 1402 LYS A 87