USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 675 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 Single : A 2 SER OG : rot -9:sc= 0.658 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.44 X(o=-0.44,f=-0.052) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0604 USER MOD Single : A 19 MET CE :methyl -142:sc= -1.89 (180deg=-4.82!) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc=-0.00271 X(o=-0.0027,f=-0.22) USER MOD Single : A 26 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0273) USER MOD Single : A 28 CYS SG : rot 55:sc= 0.624 USER MOD Single : A 30 TYR OH : rot 0:sc= 1.25 USER MOD Single : A 31 LYS NZ :NH3+ -147:sc= 0 (180deg=-1.02) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -3.66! C(o=-3.7!,f=-7.3!) USER MOD Single : A 37 THR OG1 : rot 103:sc= 1.23 USER MOD Single : A 41 CYS SG : rot 77:sc= 1.05 USER MOD Single : A 42 ASN : amide:sc= -0.261 K(o=-0.26,f=0.35) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.01) USER MOD Single : A 52 GLN : amide:sc= -3.07! K(o=-3.1!,f=-0.57) USER MOD Single : A 54 LYS NZ :NH3+ 159:sc= -0.0789 (180deg=-0.451) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -149:sc= -0.195 (180deg=-1.21) USER MOD Single : A 61 ASN : amide:sc= -1.76 X(o=-1.8,f=-1.7!) USER MOD Single : A 66 MET CE :methyl -178:sc= -2.84! (180deg=-3.01!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 160:sc= -0.0784 USER MOD Single : A 72 LYS NZ :NH3+ 144:sc= 0.0149 (180deg=-0.452) USER MOD Single : A 75 TYR OH : rot -140:sc= -0.683 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc=1.95e-07 USER MOD Single : A 88 ASN : amide:sc= -0.57 X(o=-0.57,f=-0.097) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 4.341 -1.181 -1.608 1.00 25.01 N ATOM 19 CA SER A 2 5.503 -1.980 -1.980 1.00 44.53 C ATOM 20 C SER A 2 6.599 -1.100 -2.576 1.00 75.11 C ATOM 21 O SER A 2 7.778 -1.448 -2.539 1.00 23.15 O ATOM 22 CB SER A 2 5.103 -3.064 -2.982 1.00 62.32 C ATOM 23 OG SER A 2 3.889 -2.734 -3.634 1.00 10.13 O ATOM 0 HA SER A 2 5.891 -2.454 -1.078 1.00 44.53 H new ATOM 0 HB2 SER A 2 5.894 -3.190 -3.721 1.00 62.32 H new ATOM 0 HB3 SER A 2 4.995 -4.018 -2.466 1.00 62.32 H new ATOM 0 HG SER A 2 3.491 -1.948 -3.206 1.00 10.13 H new ATOM 29 N ALA A 3 6.198 0.042 -3.126 1.00 21.32 N ATOM 30 CA ALA A 3 7.144 0.973 -3.728 1.00 62.31 C ATOM 31 C ALA A 3 8.079 1.562 -2.677 1.00 62.23 C ATOM 32 O ALA A 3 9.227 1.897 -2.972 1.00 14.13 O ATOM 33 CB ALA A 3 6.401 2.082 -4.458 1.00 2.14 C ATOM 0 H ALA A 3 5.225 0.344 -3.167 1.00 21.32 H new ATOM 0 HA ALA A 3 7.750 0.422 -4.447 1.00 62.31 H new ATOM 0 HB1 ALA A 3 7.120 2.770 -4.903 1.00 2.14 H new ATOM 0 HB2 ALA A 3 5.780 1.649 -5.242 1.00 2.14 H new ATOM 0 HB3 ALA A 3 5.770 2.623 -3.753 1.00 2.14 H new ATOM 39 N ASP A 4 7.581 1.686 -1.452 1.00 22.40 N ATOM 40 CA ASP A 4 8.373 2.234 -0.357 1.00 13.21 C ATOM 41 C ASP A 4 9.052 1.120 0.434 1.00 14.41 C ATOM 42 O ASP A 4 10.082 1.338 1.072 1.00 34.14 O ATOM 43 CB ASP A 4 7.489 3.070 0.571 1.00 71.33 C ATOM 44 CG ASP A 4 8.281 4.097 1.355 1.00 42.45 C ATOM 45 OD1 ASP A 4 8.878 4.994 0.723 1.00 62.34 O ATOM 46 OD2 ASP A 4 8.305 4.005 2.600 1.00 61.11 O ATOM 0 H ASP A 4 6.633 1.415 -1.192 1.00 22.40 H new ATOM 0 HA ASP A 4 9.145 2.874 -0.784 1.00 13.21 H new ATOM 0 HB2 ASP A 4 6.726 3.577 -0.019 1.00 71.33 H new ATOM 0 HB3 ASP A 4 6.969 2.410 1.265 1.00 71.33 H new ATOM 51 N ASP A 5 8.467 -0.072 0.388 1.00 42.40 N ATOM 52 CA ASP A 5 9.016 -1.220 1.100 1.00 35.02 C ATOM 53 C ASP A 5 10.168 -1.844 0.319 1.00 31.14 C ATOM 54 O ASP A 5 10.826 -2.768 0.797 1.00 64.41 O ATOM 55 CB ASP A 5 7.925 -2.264 1.345 1.00 14.30 C ATOM 56 CG ASP A 5 8.272 -3.210 2.478 1.00 42.34 C ATOM 57 OD1 ASP A 5 9.136 -2.852 3.305 1.00 10.21 O ATOM 58 OD2 ASP A 5 7.681 -4.308 2.536 1.00 70.51 O ATOM 0 H ASP A 5 7.613 -0.268 -0.135 1.00 42.40 H new ATOM 0 HA ASP A 5 9.398 -0.872 2.060 1.00 35.02 H new ATOM 0 HB2 ASP A 5 6.987 -1.758 1.573 1.00 14.30 H new ATOM 0 HB3 ASP A 5 7.764 -2.838 0.433 1.00 14.30 H new ATOM 63 N PHE A 6 10.405 -1.334 -0.884 1.00 44.43 N ATOM 64 CA PHE A 6 11.477 -1.842 -1.733 1.00 31.24 C ATOM 65 C PHE A 6 12.799 -1.885 -0.972 1.00 10.00 C ATOM 66 O PHE A 6 13.654 -2.730 -1.239 1.00 12.14 O ATOM 67 CB PHE A 6 11.623 -0.972 -2.983 1.00 32.31 C ATOM 68 CG PHE A 6 12.336 0.325 -2.730 1.00 50.34 C ATOM 69 CD1 PHE A 6 11.819 1.254 -1.842 1.00 32.13 C ATOM 70 CD2 PHE A 6 13.523 0.617 -3.382 1.00 64.45 C ATOM 71 CE1 PHE A 6 12.473 2.449 -1.607 1.00 32.32 C ATOM 72 CE2 PHE A 6 14.182 1.809 -3.151 1.00 51.53 C ATOM 73 CZ PHE A 6 13.655 2.727 -2.263 1.00 44.24 C ATOM 0 H PHE A 6 9.869 -0.569 -1.294 1.00 44.43 H new ATOM 0 HA PHE A 6 11.218 -2.857 -2.034 1.00 31.24 H new ATOM 0 HB2 PHE A 6 12.165 -1.533 -3.745 1.00 32.31 H new ATOM 0 HB3 PHE A 6 10.633 -0.760 -3.386 1.00 32.31 H new ATOM 0 HD1 PHE A 6 10.894 1.042 -1.327 1.00 32.13 H new ATOM 0 HD2 PHE A 6 13.938 -0.096 -4.079 1.00 64.45 H new ATOM 0 HE1 PHE A 6 12.060 3.164 -0.911 1.00 32.32 H new ATOM 0 HE2 PHE A 6 15.108 2.023 -3.664 1.00 51.53 H new ATOM 0 HZ PHE A 6 14.167 3.661 -2.083 1.00 44.24 H new ATOM 83 N ASP A 7 12.959 -0.968 -0.025 1.00 3.25 N ATOM 84 CA ASP A 7 14.176 -0.900 0.776 1.00 44.11 C ATOM 85 C ASP A 7 14.461 -2.240 1.447 1.00 61.24 C ATOM 86 O ASP A 7 15.587 -2.736 1.412 1.00 10.33 O ATOM 87 CB ASP A 7 14.056 0.198 1.834 1.00 41.45 C ATOM 88 CG ASP A 7 14.707 1.496 1.397 1.00 5.03 C ATOM 89 OD1 ASP A 7 15.945 1.512 1.229 1.00 70.23 O ATOM 90 OD2 ASP A 7 13.980 2.496 1.224 1.00 74.45 O ATOM 0 H ASP A 7 12.261 -0.261 0.207 1.00 3.25 H new ATOM 0 HA ASP A 7 15.006 -0.663 0.110 1.00 44.11 H new ATOM 0 HB2 ASP A 7 13.003 0.378 2.049 1.00 41.45 H new ATOM 0 HB3 ASP A 7 14.517 -0.143 2.761 1.00 41.45 H new ATOM 95 N ALA A 8 13.433 -2.821 2.057 1.00 42.11 N ATOM 96 CA ALA A 8 13.573 -4.104 2.735 1.00 53.33 C ATOM 97 C ALA A 8 13.715 -5.243 1.731 1.00 44.54 C ATOM 98 O ALA A 8 14.003 -6.379 2.104 1.00 62.22 O ATOM 99 CB ALA A 8 12.382 -4.350 3.649 1.00 13.20 C ATOM 0 H ALA A 8 12.494 -2.424 2.096 1.00 42.11 H new ATOM 0 HA ALA A 8 14.480 -4.071 3.338 1.00 53.33 H new ATOM 0 HB1 ALA A 8 12.499 -5.311 4.149 1.00 13.20 H new ATOM 0 HB2 ALA A 8 12.326 -3.557 4.395 1.00 13.20 H new ATOM 0 HB3 ALA A 8 11.466 -4.358 3.059 1.00 13.20 H new ATOM 105 N ALA A 9 13.511 -4.930 0.455 1.00 4.41 N ATOM 106 CA ALA A 9 13.619 -5.927 -0.603 1.00 12.34 C ATOM 107 C ALA A 9 15.023 -5.948 -1.196 1.00 63.51 C ATOM 108 O ALA A 9 15.558 -7.011 -1.513 1.00 71.20 O ATOM 109 CB ALA A 9 12.589 -5.656 -1.689 1.00 74.43 C ATOM 0 H ALA A 9 13.270 -3.994 0.129 1.00 4.41 H new ATOM 0 HA ALA A 9 13.423 -6.907 -0.167 1.00 12.34 H new ATOM 0 HB1 ALA A 9 12.680 -6.408 -2.473 1.00 74.43 H new ATOM 0 HB2 ALA A 9 11.588 -5.699 -1.260 1.00 74.43 H new ATOM 0 HB3 ALA A 9 12.759 -4.667 -2.113 1.00 74.43 H new ATOM 115 N VAL A 10 15.616 -4.768 -1.345 1.00 23.11 N ATOM 116 CA VAL A 10 16.959 -4.652 -1.900 1.00 43.23 C ATOM 117 C VAL A 10 18.003 -5.201 -0.934 1.00 70.12 C ATOM 118 O VAL A 10 19.067 -5.661 -1.348 1.00 22.50 O ATOM 119 CB VAL A 10 17.304 -3.188 -2.233 1.00 61.14 C ATOM 120 CG1 VAL A 10 18.697 -3.092 -2.837 1.00 40.40 C ATOM 121 CG2 VAL A 10 16.265 -2.597 -3.174 1.00 34.13 C ATOM 0 H VAL A 10 15.187 -3.879 -1.089 1.00 23.11 H new ATOM 0 HA VAL A 10 16.973 -5.239 -2.818 1.00 43.23 H new ATOM 0 HB VAL A 10 17.294 -2.611 -1.308 1.00 61.14 H new ATOM 0 HG11 VAL A 10 18.923 -2.051 -3.066 1.00 40.40 H new ATOM 0 HG12 VAL A 10 19.429 -3.475 -2.126 1.00 40.40 H new ATOM 0 HG13 VAL A 10 18.738 -3.682 -3.753 1.00 40.40 H new ATOM 0 HG21 VAL A 10 16.524 -1.562 -3.399 1.00 34.13 H new ATOM 0 HG22 VAL A 10 16.241 -3.174 -4.098 1.00 34.13 H new ATOM 0 HG23 VAL A 10 15.284 -2.630 -2.700 1.00 34.13 H new ATOM 131 N LYS A 11 17.691 -5.150 0.356 1.00 22.14 N ATOM 132 CA LYS A 11 18.600 -5.644 1.384 1.00 64.02 C ATOM 133 C LYS A 11 18.658 -7.168 1.372 1.00 31.23 C ATOM 134 O LYS A 11 19.738 -7.758 1.391 1.00 23.45 O ATOM 135 CB LYS A 11 18.160 -5.150 2.764 1.00 63.03 C ATOM 136 CG LYS A 11 16.710 -5.465 3.089 1.00 64.14 C ATOM 137 CD LYS A 11 16.593 -6.685 3.987 1.00 74.13 C ATOM 138 CE LYS A 11 16.272 -6.293 5.421 1.00 52.42 C ATOM 139 NZ LYS A 11 15.475 -7.340 6.118 1.00 63.34 N ATOM 0 H LYS A 11 16.815 -4.771 0.715 1.00 22.14 H new ATOM 0 HA LYS A 11 19.596 -5.258 1.168 1.00 64.02 H new ATOM 0 HB2 LYS A 11 18.800 -5.600 3.523 1.00 63.03 H new ATOM 0 HB3 LYS A 11 18.310 -4.072 2.820 1.00 63.03 H new ATOM 0 HG2 LYS A 11 16.251 -4.606 3.579 1.00 64.14 H new ATOM 0 HG3 LYS A 11 16.158 -5.638 2.165 1.00 64.14 H new ATOM 0 HD2 LYS A 11 15.814 -7.345 3.606 1.00 74.13 H new ATOM 0 HD3 LYS A 11 17.527 -7.247 3.963 1.00 74.13 H new ATOM 0 HE2 LYS A 11 17.200 -6.120 5.966 1.00 52.42 H new ATOM 0 HE3 LYS A 11 15.720 -5.353 5.425 1.00 52.42 H new ATOM 0 HZ1 LYS A 11 15.277 -7.035 7.092 1.00 63.34 H new ATOM 0 HZ2 LYS A 11 14.578 -7.488 5.613 1.00 63.34 H new ATOM 0 HZ3 LYS A 11 16.012 -8.230 6.137 1.00 63.34 H new ATOM 153 N TYR A 12 17.490 -7.799 1.340 1.00 74.44 N ATOM 154 CA TYR A 12 17.407 -9.255 1.326 1.00 25.14 C ATOM 155 C TYR A 12 18.062 -9.826 0.073 1.00 65.44 C ATOM 156 O TYR A 12 18.501 -10.976 0.056 1.00 24.51 O ATOM 157 CB TYR A 12 15.948 -9.705 1.403 1.00 74.21 C ATOM 158 CG TYR A 12 15.768 -11.078 2.010 1.00 22.23 C ATOM 159 CD1 TYR A 12 16.118 -12.223 1.305 1.00 4.20 C ATOM 160 CD2 TYR A 12 15.249 -11.231 3.290 1.00 3.53 C ATOM 161 CE1 TYR A 12 15.955 -13.479 1.856 1.00 65.11 C ATOM 162 CE2 TYR A 12 15.084 -12.483 3.850 1.00 42.23 C ATOM 163 CZ TYR A 12 15.438 -13.604 3.128 1.00 3.15 C ATOM 164 OH TYR A 12 15.276 -14.854 3.681 1.00 12.43 O ATOM 0 H TYR A 12 16.587 -7.325 1.323 1.00 74.44 H new ATOM 0 HA TYR A 12 17.942 -9.632 2.197 1.00 25.14 H new ATOM 0 HB2 TYR A 12 15.384 -8.981 1.991 1.00 74.21 H new ATOM 0 HB3 TYR A 12 15.522 -9.702 0.400 1.00 74.21 H new ATOM 0 HD1 TYR A 12 16.525 -12.129 0.309 1.00 4.20 H new ATOM 0 HD2 TYR A 12 14.970 -10.355 3.857 1.00 3.53 H new ATOM 0 HE1 TYR A 12 16.231 -14.359 1.293 1.00 65.11 H new ATOM 0 HE2 TYR A 12 14.680 -12.584 4.847 1.00 42.23 H new ATOM 0 HH TYR A 12 14.902 -14.767 4.582 1.00 12.43 H new ATOM 174 N VAL A 13 18.125 -9.013 -0.977 1.00 62.32 N ATOM 175 CA VAL A 13 18.728 -9.435 -2.236 1.00 72.21 C ATOM 176 C VAL A 13 20.199 -9.041 -2.300 1.00 61.23 C ATOM 177 O VAL A 13 21.012 -9.736 -2.910 1.00 3.31 O ATOM 178 CB VAL A 13 17.991 -8.825 -3.443 1.00 61.13 C ATOM 179 CG1 VAL A 13 18.779 -9.059 -4.723 1.00 53.34 C ATOM 180 CG2 VAL A 13 16.588 -9.402 -3.558 1.00 22.01 C ATOM 0 H VAL A 13 17.766 -8.058 -0.981 1.00 62.32 H new ATOM 0 HA VAL A 13 18.644 -10.521 -2.279 1.00 72.21 H new ATOM 0 HB VAL A 13 17.905 -7.749 -3.289 1.00 61.13 H new ATOM 0 HG11 VAL A 13 18.243 -8.621 -5.565 1.00 53.34 H new ATOM 0 HG12 VAL A 13 19.761 -8.594 -4.636 1.00 53.34 H new ATOM 0 HG13 VAL A 13 18.898 -10.130 -4.886 1.00 53.34 H new ATOM 0 HG21 VAL A 13 16.082 -8.960 -4.416 1.00 22.01 H new ATOM 0 HG22 VAL A 13 16.649 -10.482 -3.690 1.00 22.01 H new ATOM 0 HG23 VAL A 13 16.027 -9.178 -2.651 1.00 22.01 H new ATOM 190 N SER A 14 20.535 -7.922 -1.667 1.00 15.14 N ATOM 191 CA SER A 14 21.908 -7.433 -1.654 1.00 42.22 C ATOM 192 C SER A 14 22.761 -8.233 -0.675 1.00 21.51 C ATOM 193 O SER A 14 23.937 -8.491 -0.926 1.00 64.34 O ATOM 194 CB SER A 14 21.940 -5.949 -1.282 1.00 24.45 C ATOM 195 OG SER A 14 23.260 -5.436 -1.345 1.00 33.12 O ATOM 0 H SER A 14 19.874 -7.337 -1.156 1.00 15.14 H new ATOM 0 HA SER A 14 22.321 -7.558 -2.655 1.00 42.22 H new ATOM 0 HB2 SER A 14 21.295 -5.387 -1.958 1.00 24.45 H new ATOM 0 HB3 SER A 14 21.542 -5.814 -0.276 1.00 24.45 H new ATOM 0 HG SER A 14 23.254 -4.486 -1.105 1.00 33.12 H new ATOM 201 N ASN A 15 22.158 -8.624 0.443 1.00 0.23 N ATOM 202 CA ASN A 15 22.861 -9.395 1.462 1.00 4.20 C ATOM 203 C ASN A 15 22.722 -10.892 1.204 1.00 13.01 C ATOM 204 O ASN A 15 23.703 -11.635 1.247 1.00 73.42 O ATOM 205 CB ASN A 15 22.322 -9.053 2.853 1.00 64.14 C ATOM 206 CG ASN A 15 22.282 -7.558 3.106 1.00 73.43 C ATOM 207 OD1 ASN A 15 23.244 -6.844 2.826 1.00 4.22 O ATOM 208 ND2 ASN A 15 21.163 -7.079 3.638 1.00 44.23 N ATOM 0 H ASN A 15 21.184 -8.420 0.666 1.00 0.23 H new ATOM 0 HA ASN A 15 23.918 -9.133 1.415 1.00 4.20 H new ATOM 0 HB2 ASN A 15 21.318 -9.464 2.962 1.00 64.14 H new ATOM 0 HB3 ASN A 15 22.946 -9.530 3.609 1.00 64.14 H new ATOM 0 HD21 ASN A 15 21.076 -6.081 3.831 1.00 44.23 H new ATOM 0 HD22 ASN A 15 20.390 -7.709 3.854 1.00 44.23 H new ATOM 215 N THR A 16 21.495 -11.329 0.935 1.00 2.13 N ATOM 216 CA THR A 16 21.226 -12.737 0.671 1.00 41.42 C ATOM 217 C THR A 16 21.002 -12.983 -0.817 1.00 30.53 C ATOM 218 O THR A 16 20.138 -12.363 -1.437 1.00 12.20 O ATOM 219 CB THR A 16 19.994 -13.230 1.453 1.00 41.32 C ATOM 220 OG1 THR A 16 20.398 -13.757 2.721 1.00 32.23 O ATOM 221 CG2 THR A 16 19.247 -14.298 0.668 1.00 10.43 C ATOM 0 H THR A 16 20.672 -10.728 0.894 1.00 2.13 H new ATOM 0 HA THR A 16 22.103 -13.294 1.001 1.00 41.42 H new ATOM 0 HB THR A 16 19.326 -12.383 1.609 1.00 41.32 H new ATOM 0 HG1 THR A 16 19.609 -14.067 3.213 1.00 32.23 H new ATOM 0 HG21 THR A 16 18.381 -14.631 1.240 1.00 10.43 H new ATOM 0 HG22 THR A 16 18.916 -13.884 -0.285 1.00 10.43 H new ATOM 0 HG23 THR A 16 19.909 -15.145 0.485 1.00 10.43 H new ATOM 229 N THR A 17 21.785 -13.895 -1.385 1.00 43.24 N ATOM 230 CA THR A 17 21.673 -14.224 -2.801 1.00 15.43 C ATOM 231 C THR A 17 21.827 -15.723 -3.031 1.00 41.50 C ATOM 232 O THR A 17 21.978 -16.175 -4.166 1.00 74.15 O ATOM 233 CB THR A 17 22.728 -13.476 -3.637 1.00 50.30 C ATOM 234 OG1 THR A 17 23.938 -13.334 -2.885 1.00 2.40 O ATOM 235 CG2 THR A 17 22.218 -12.104 -4.050 1.00 53.55 C ATOM 0 H THR A 17 22.504 -14.419 -0.886 1.00 43.24 H new ATOM 0 HA THR A 17 20.679 -13.911 -3.121 1.00 15.43 H new ATOM 0 HB THR A 17 22.926 -14.058 -4.537 1.00 50.30 H new ATOM 0 HG1 THR A 17 24.604 -12.859 -3.424 1.00 2.40 H new ATOM 0 HG21 THR A 17 22.980 -11.595 -4.639 1.00 53.55 H new ATOM 0 HG22 THR A 17 21.313 -12.217 -4.647 1.00 53.55 H new ATOM 0 HG23 THR A 17 21.994 -11.516 -3.160 1.00 53.55 H new ATOM 243 N THR A 18 21.789 -16.490 -1.946 1.00 74.44 N ATOM 244 CA THR A 18 21.925 -17.939 -2.030 1.00 72.03 C ATOM 245 C THR A 18 20.572 -18.607 -2.247 1.00 12.13 C ATOM 246 O THR A 18 20.499 -19.793 -2.566 1.00 52.05 O ATOM 247 CB THR A 18 22.572 -18.517 -0.758 1.00 2.03 C ATOM 248 OG1 THR A 18 22.290 -17.671 0.363 1.00 71.51 O ATOM 249 CG2 THR A 18 24.078 -18.653 -0.930 1.00 75.03 C ATOM 0 H THR A 18 21.665 -16.132 -0.999 1.00 74.44 H new ATOM 0 HA THR A 18 22.570 -18.147 -2.884 1.00 72.03 H new ATOM 0 HB THR A 18 22.151 -19.507 -0.581 1.00 2.03 H new ATOM 0 HG1 THR A 18 22.703 -18.046 1.168 1.00 71.51 H new ATOM 0 HG21 THR A 18 24.513 -19.063 -0.019 1.00 75.03 H new ATOM 0 HG22 THR A 18 24.290 -19.320 -1.765 1.00 75.03 H new ATOM 0 HG23 THR A 18 24.511 -17.673 -1.129 1.00 75.03 H new ATOM 257 N MET A 19 19.502 -17.838 -2.071 1.00 4.42 N ATOM 258 CA MET A 19 18.151 -18.356 -2.249 1.00 40.22 C ATOM 259 C MET A 19 17.983 -18.969 -3.636 1.00 35.03 C ATOM 260 O MET A 19 18.767 -18.697 -4.544 1.00 55.42 O ATOM 261 CB MET A 19 17.123 -17.241 -2.043 1.00 62.43 C ATOM 262 CG MET A 19 17.121 -16.204 -3.154 1.00 42.32 C ATOM 263 SD MET A 19 17.514 -14.548 -2.559 1.00 2.14 S ATOM 264 CE MET A 19 17.473 -13.619 -4.089 1.00 53.23 C ATOM 0 H MET A 19 19.545 -16.854 -1.805 1.00 4.42 H new ATOM 0 HA MET A 19 17.986 -19.135 -1.504 1.00 40.22 H new ATOM 0 HB2 MET A 19 16.130 -17.683 -1.968 1.00 62.43 H new ATOM 0 HB3 MET A 19 17.323 -16.744 -1.094 1.00 62.43 H new ATOM 0 HG2 MET A 19 17.844 -16.493 -3.917 1.00 42.32 H new ATOM 0 HG3 MET A 19 16.141 -16.191 -3.632 1.00 42.32 H new ATOM 0 HE1 MET A 19 18.264 -12.869 -4.081 1.00 53.23 H new ATOM 0 HE2 MET A 19 17.624 -14.296 -4.930 1.00 53.23 H new ATOM 0 HE3 MET A 19 16.506 -13.125 -4.189 1.00 53.23 H new ATOM 274 N MET A 20 16.955 -19.798 -3.790 1.00 64.13 N ATOM 275 CA MET A 20 16.685 -20.449 -5.067 1.00 14.11 C ATOM 276 C MET A 20 16.308 -19.423 -6.131 1.00 14.01 C ATOM 277 O MET A 20 15.160 -18.984 -6.204 1.00 4.32 O ATOM 278 CB MET A 20 15.562 -21.476 -4.912 1.00 33.31 C ATOM 279 CG MET A 20 15.071 -22.044 -6.234 1.00 15.13 C ATOM 280 SD MET A 20 16.365 -22.911 -7.141 1.00 30.30 S ATOM 281 CE MET A 20 15.696 -22.876 -8.802 1.00 41.11 C ATOM 0 H MET A 20 16.297 -20.034 -3.048 1.00 64.13 H new ATOM 0 HA MET A 20 17.594 -20.960 -5.386 1.00 14.11 H new ATOM 0 HB2 MET A 20 15.913 -22.294 -4.283 1.00 33.31 H new ATOM 0 HB3 MET A 20 14.724 -21.011 -4.392 1.00 33.31 H new ATOM 0 HG2 MET A 20 14.244 -22.728 -6.046 1.00 15.13 H new ATOM 0 HG3 MET A 20 14.681 -21.234 -6.850 1.00 15.13 H new ATOM 0 HE1 MET A 20 16.385 -23.376 -9.482 1.00 41.11 H new ATOM 0 HE2 MET A 20 14.734 -23.389 -8.818 1.00 41.11 H new ATOM 0 HE3 MET A 20 15.561 -21.842 -9.118 1.00 41.11 H new ATOM 291 N ALA A 21 17.281 -19.045 -6.954 1.00 33.44 N ATOM 292 CA ALA A 21 17.050 -18.073 -8.014 1.00 52.34 C ATOM 293 C ALA A 21 17.399 -18.656 -9.379 1.00 53.25 C ATOM 294 O ALA A 21 18.180 -19.602 -9.480 1.00 34.14 O ATOM 295 CB ALA A 21 17.857 -16.809 -7.756 1.00 54.12 C ATOM 0 H ALA A 21 18.237 -19.398 -6.906 1.00 33.44 H new ATOM 0 HA ALA A 21 15.990 -17.820 -8.016 1.00 52.34 H new ATOM 0 HB1 ALA A 21 17.675 -16.091 -8.556 1.00 54.12 H new ATOM 0 HB2 ALA A 21 17.557 -16.374 -6.803 1.00 54.12 H new ATOM 0 HB3 ALA A 21 18.918 -17.055 -7.724 1.00 54.12 H new ATOM 301 N SER A 22 16.815 -18.085 -10.428 1.00 75.54 N ATOM 302 CA SER A 22 17.061 -18.552 -11.788 1.00 35.12 C ATOM 303 C SER A 22 17.865 -17.524 -12.578 1.00 33.11 C ATOM 304 O SER A 22 17.870 -16.339 -12.249 1.00 40.42 O ATOM 305 CB SER A 22 15.736 -18.837 -12.499 1.00 44.23 C ATOM 306 OG SER A 22 15.881 -19.879 -13.448 1.00 63.32 O ATOM 0 H SER A 22 16.169 -17.299 -10.362 1.00 75.54 H new ATOM 0 HA SER A 22 17.640 -19.474 -11.731 1.00 35.12 H new ATOM 0 HB2 SER A 22 14.978 -19.112 -11.766 1.00 44.23 H new ATOM 0 HB3 SER A 22 15.385 -17.933 -12.997 1.00 44.23 H new ATOM 0 HG SER A 22 15.021 -20.043 -13.887 1.00 63.32 H new ATOM 312 N ASN A 23 18.543 -17.989 -13.622 1.00 4.41 N ATOM 313 CA ASN A 23 19.352 -17.111 -14.460 1.00 2.53 C ATOM 314 C ASN A 23 18.506 -15.981 -15.040 1.00 62.41 C ATOM 315 O ASN A 23 19.024 -14.921 -15.390 1.00 41.31 O ATOM 316 CB ASN A 23 20.003 -17.908 -15.591 1.00 64.42 C ATOM 317 CG ASN A 23 20.950 -17.065 -16.423 1.00 52.23 C ATOM 318 OD1 ASN A 23 20.529 -16.365 -17.345 1.00 34.24 O ATOM 319 ND2 ASN A 23 22.237 -17.128 -16.101 1.00 54.33 N ATOM 0 H ASN A 23 18.548 -18.968 -13.908 1.00 4.41 H new ATOM 0 HA ASN A 23 20.132 -16.674 -13.837 1.00 2.53 H new ATOM 0 HB2 ASN A 23 20.548 -18.753 -15.169 1.00 64.42 H new ATOM 0 HB3 ASN A 23 19.226 -18.320 -16.235 1.00 64.42 H new ATOM 0 HD21 ASN A 23 22.921 -16.583 -16.625 1.00 54.33 H new ATOM 0 HD22 ASN A 23 22.541 -17.722 -15.329 1.00 54.33 H new ATOM 326 N ASP A 24 17.203 -16.217 -15.138 1.00 54.14 N ATOM 327 CA ASP A 24 16.284 -15.219 -15.675 1.00 33.55 C ATOM 328 C ASP A 24 15.651 -14.404 -14.551 1.00 41.12 C ATOM 329 O ASP A 24 15.227 -13.267 -14.759 1.00 2.10 O ATOM 330 CB ASP A 24 15.193 -15.895 -16.507 1.00 62.15 C ATOM 331 CG ASP A 24 15.461 -15.803 -17.997 1.00 4.53 C ATOM 332 OD1 ASP A 24 15.074 -14.784 -18.608 1.00 22.15 O ATOM 333 OD2 ASP A 24 16.059 -16.748 -18.551 1.00 63.03 O ATOM 0 H ASP A 24 16.759 -17.090 -14.853 1.00 54.14 H new ATOM 0 HA ASP A 24 16.852 -14.544 -16.315 1.00 33.55 H new ATOM 0 HB2 ASP A 24 15.117 -16.943 -16.218 1.00 62.15 H new ATOM 0 HB3 ASP A 24 14.231 -15.433 -16.284 1.00 62.15 H new ATOM 338 N ASP A 25 15.590 -14.993 -13.362 1.00 0.41 N ATOM 339 CA ASP A 25 15.009 -14.321 -12.205 1.00 41.22 C ATOM 340 C ASP A 25 15.998 -13.331 -11.598 1.00 43.33 C ATOM 341 O ASP A 25 15.628 -12.219 -11.219 1.00 71.35 O ATOM 342 CB ASP A 25 14.585 -15.346 -11.153 1.00 35.40 C ATOM 343 CG ASP A 25 13.303 -14.953 -10.445 1.00 71.01 C ATOM 344 OD1 ASP A 25 13.345 -14.016 -9.621 1.00 34.23 O ATOM 345 OD2 ASP A 25 12.258 -15.583 -10.715 1.00 4.52 O ATOM 0 H ASP A 25 15.936 -15.934 -13.174 1.00 0.41 H new ATOM 0 HA ASP A 25 14.130 -13.770 -12.540 1.00 41.22 H new ATOM 0 HB2 ASP A 25 14.450 -16.317 -11.630 1.00 35.40 H new ATOM 0 HB3 ASP A 25 15.382 -15.459 -10.418 1.00 35.40 H new ATOM 350 N LYS A 26 17.259 -13.742 -11.508 1.00 14.33 N ATOM 351 CA LYS A 26 18.303 -12.892 -10.947 1.00 75.01 C ATOM 352 C LYS A 26 18.506 -11.644 -11.801 1.00 35.41 C ATOM 353 O LYS A 26 19.118 -10.671 -11.360 1.00 41.10 O ATOM 354 CB LYS A 26 19.617 -13.668 -10.839 1.00 30.23 C ATOM 355 CG LYS A 26 19.534 -14.880 -9.927 1.00 62.43 C ATOM 356 CD LYS A 26 20.852 -15.132 -9.213 1.00 73.34 C ATOM 357 CE LYS A 26 21.906 -15.678 -10.165 1.00 12.53 C ATOM 358 NZ LYS A 26 21.662 -17.107 -10.503 1.00 32.25 N ATOM 0 H LYS A 26 17.583 -14.659 -11.817 1.00 14.33 H new ATOM 0 HA LYS A 26 17.988 -12.582 -9.951 1.00 75.01 H new ATOM 0 HB2 LYS A 26 19.920 -13.993 -11.834 1.00 30.23 H new ATOM 0 HB3 LYS A 26 20.395 -12.999 -10.471 1.00 30.23 H new ATOM 0 HG2 LYS A 26 18.744 -14.730 -9.192 1.00 62.43 H new ATOM 0 HG3 LYS A 26 19.262 -15.759 -10.512 1.00 62.43 H new ATOM 0 HD2 LYS A 26 21.209 -14.204 -8.767 1.00 73.34 H new ATOM 0 HD3 LYS A 26 20.696 -15.838 -8.397 1.00 73.34 H new ATOM 0 HE2 LYS A 26 21.912 -15.085 -11.079 1.00 12.53 H new ATOM 0 HE3 LYS A 26 22.892 -15.575 -9.712 1.00 12.53 H new ATOM 0 HZ1 LYS A 26 22.470 -17.479 -11.041 1.00 32.25 H new ATOM 0 HZ2 LYS A 26 21.547 -17.656 -9.627 1.00 32.25 H new ATOM 0 HZ3 LYS A 26 20.798 -17.185 -11.077 1.00 32.25 H new ATOM 372 N LEU A 27 17.987 -11.679 -13.023 1.00 70.04 N ATOM 373 CA LEU A 27 18.110 -10.550 -13.939 1.00 10.11 C ATOM 374 C LEU A 27 16.932 -9.593 -13.785 1.00 22.03 C ATOM 375 O LEU A 27 16.935 -8.495 -14.342 1.00 53.22 O ATOM 376 CB LEU A 27 18.193 -11.046 -15.384 1.00 31.05 C ATOM 377 CG LEU A 27 18.521 -9.989 -16.438 1.00 52.25 C ATOM 378 CD1 LEU A 27 19.767 -10.380 -17.217 1.00 61.21 C ATOM 379 CD2 LEU A 27 17.342 -9.791 -17.380 1.00 33.21 C ATOM 0 H LEU A 27 17.477 -12.477 -13.403 1.00 70.04 H new ATOM 0 HA LEU A 27 19.026 -10.013 -13.693 1.00 10.11 H new ATOM 0 HB2 LEU A 27 18.950 -11.829 -15.435 1.00 31.05 H new ATOM 0 HB3 LEU A 27 17.240 -11.506 -15.644 1.00 31.05 H new ATOM 0 HG LEU A 27 18.717 -9.045 -15.929 1.00 52.25 H new ATOM 0 HD11 LEU A 27 19.985 -9.615 -17.963 1.00 61.21 H new ATOM 0 HD12 LEU A 27 20.611 -10.470 -16.533 1.00 61.21 H new ATOM 0 HD13 LEU A 27 19.600 -11.335 -17.715 1.00 61.21 H new ATOM 0 HD21 LEU A 27 17.594 -9.035 -18.124 1.00 33.21 H new ATOM 0 HD22 LEU A 27 17.115 -10.732 -17.881 1.00 33.21 H new ATOM 0 HD23 LEU A 27 16.472 -9.464 -16.810 1.00 33.21 H new ATOM 391 N CYS A 28 15.929 -10.016 -13.024 1.00 11.03 N ATOM 392 CA CYS A 28 14.745 -9.196 -12.795 1.00 14.24 C ATOM 393 C CYS A 28 15.030 -8.103 -11.770 1.00 1.03 C ATOM 394 O CYS A 28 14.739 -6.929 -12.001 1.00 24.11 O ATOM 395 CB CYS A 28 13.580 -10.066 -12.319 1.00 63.13 C ATOM 396 SG CYS A 28 12.984 -11.241 -13.557 1.00 71.41 S ATOM 0 H CYS A 28 15.912 -10.922 -12.555 1.00 11.03 H new ATOM 0 HA CYS A 28 14.474 -8.723 -13.739 1.00 14.24 H new ATOM 0 HB2 CYS A 28 13.891 -10.616 -11.431 1.00 63.13 H new ATOM 0 HB3 CYS A 28 12.755 -9.419 -12.021 1.00 63.13 H new ATOM 0 HG CYS A 28 13.975 -11.973 -13.973 1.00 71.41 H new ATOM 402 N PHE A 29 15.600 -8.497 -10.635 1.00 53.15 N ATOM 403 CA PHE A 29 15.922 -7.551 -9.573 1.00 61.32 C ATOM 404 C PHE A 29 17.031 -6.599 -10.011 1.00 22.11 C ATOM 405 O PHE A 29 17.280 -5.580 -9.366 1.00 23.53 O ATOM 406 CB PHE A 29 16.346 -8.299 -8.307 1.00 44.14 C ATOM 407 CG PHE A 29 17.828 -8.528 -8.215 1.00 31.22 C ATOM 408 CD1 PHE A 29 18.399 -9.675 -8.743 1.00 3.50 C ATOM 409 CD2 PHE A 29 18.649 -7.597 -7.599 1.00 21.41 C ATOM 410 CE1 PHE A 29 19.762 -9.888 -8.660 1.00 24.42 C ATOM 411 CE2 PHE A 29 20.013 -7.806 -7.513 1.00 53.41 C ATOM 412 CZ PHE A 29 20.570 -8.953 -8.043 1.00 71.10 C ATOM 0 H PHE A 29 15.848 -9.464 -10.428 1.00 53.15 H new ATOM 0 HA PHE A 29 15.028 -6.965 -9.358 1.00 61.32 H new ATOM 0 HB2 PHE A 29 16.019 -7.734 -7.434 1.00 44.14 H new ATOM 0 HB3 PHE A 29 15.835 -9.261 -8.274 1.00 44.14 H new ATOM 0 HD1 PHE A 29 17.772 -10.411 -9.225 1.00 3.50 H new ATOM 0 HD2 PHE A 29 18.219 -6.699 -7.182 1.00 21.41 H new ATOM 0 HE1 PHE A 29 20.195 -10.785 -9.077 1.00 24.42 H new ATOM 0 HE2 PHE A 29 20.643 -7.072 -7.031 1.00 53.41 H new ATOM 0 HZ PHE A 29 21.635 -9.119 -7.975 1.00 71.10 H new ATOM 422 N TYR A 30 17.694 -6.939 -11.111 1.00 0.42 N ATOM 423 CA TYR A 30 18.779 -6.116 -11.634 1.00 33.50 C ATOM 424 C TYR A 30 18.234 -4.968 -12.477 1.00 14.40 C ATOM 425 O TYR A 30 18.753 -3.852 -12.438 1.00 52.11 O ATOM 426 CB TYR A 30 19.735 -6.969 -12.470 1.00 52.53 C ATOM 427 CG TYR A 30 20.194 -6.292 -13.742 1.00 74.24 C ATOM 428 CD1 TYR A 30 19.451 -6.391 -14.912 1.00 55.12 C ATOM 429 CD2 TYR A 30 21.370 -5.553 -13.774 1.00 60.30 C ATOM 430 CE1 TYR A 30 19.866 -5.775 -16.077 1.00 24.23 C ATOM 431 CE2 TYR A 30 21.793 -4.933 -14.934 1.00 11.13 C ATOM 432 CZ TYR A 30 21.038 -5.047 -16.082 1.00 60.24 C ATOM 433 OH TYR A 30 21.455 -4.431 -17.240 1.00 70.21 O ATOM 0 H TYR A 30 17.500 -7.778 -11.657 1.00 0.42 H new ATOM 0 HA TYR A 30 19.323 -5.695 -10.788 1.00 33.50 H new ATOM 0 HB2 TYR A 30 20.607 -7.220 -11.866 1.00 52.53 H new ATOM 0 HB3 TYR A 30 19.243 -7.908 -12.725 1.00 52.53 H new ATOM 0 HD1 TYR A 30 18.533 -6.960 -14.911 1.00 55.12 H new ATOM 0 HD2 TYR A 30 21.964 -5.462 -12.877 1.00 60.30 H new ATOM 0 HE1 TYR A 30 19.277 -5.863 -16.978 1.00 24.23 H new ATOM 0 HE2 TYR A 30 22.710 -4.362 -14.941 1.00 11.13 H new ATOM 0 HH TYR A 30 20.810 -4.610 -17.956 1.00 70.21 H new ATOM 443 N LYS A 31 17.182 -5.249 -13.239 1.00 1.20 N ATOM 444 CA LYS A 31 16.563 -4.241 -14.091 1.00 52.22 C ATOM 445 C LYS A 31 15.663 -3.318 -13.276 1.00 55.22 C ATOM 446 O LYS A 31 15.436 -2.167 -13.650 1.00 4.41 O ATOM 447 CB LYS A 31 15.752 -4.911 -15.202 1.00 75.23 C ATOM 448 CG LYS A 31 14.736 -5.918 -14.691 1.00 14.21 C ATOM 449 CD LYS A 31 13.874 -6.463 -15.818 1.00 3.41 C ATOM 450 CE LYS A 31 12.526 -6.945 -15.306 1.00 13.42 C ATOM 451 NZ LYS A 31 11.732 -7.611 -16.375 1.00 63.42 N ATOM 0 H LYS A 31 16.740 -6.167 -13.284 1.00 1.20 H new ATOM 0 HA LYS A 31 17.357 -3.643 -14.539 1.00 52.22 H new ATOM 0 HB2 LYS A 31 15.233 -4.143 -15.775 1.00 75.23 H new ATOM 0 HB3 LYS A 31 16.435 -5.413 -15.887 1.00 75.23 H new ATOM 0 HG2 LYS A 31 15.254 -6.740 -14.198 1.00 14.21 H new ATOM 0 HG3 LYS A 31 14.101 -5.446 -13.941 1.00 14.21 H new ATOM 0 HD2 LYS A 31 13.723 -5.688 -16.569 1.00 3.41 H new ATOM 0 HD3 LYS A 31 14.393 -7.286 -16.309 1.00 3.41 H new ATOM 0 HE2 LYS A 31 12.679 -7.640 -14.481 1.00 13.42 H new ATOM 0 HE3 LYS A 31 11.964 -6.099 -14.910 1.00 13.42 H new ATOM 0 HZ1 LYS A 31 10.720 -7.430 -16.220 1.00 63.42 H new ATOM 0 HZ2 LYS A 31 12.013 -7.233 -17.302 1.00 63.42 H new ATOM 0 HZ3 LYS A 31 11.908 -8.636 -16.351 1.00 63.42 H new ATOM 465 N TYR A 32 15.153 -3.829 -12.161 1.00 72.44 N ATOM 466 CA TYR A 32 14.277 -3.051 -11.294 1.00 55.11 C ATOM 467 C TYR A 32 15.054 -1.947 -10.583 1.00 60.51 C ATOM 468 O TYR A 32 14.588 -0.813 -10.478 1.00 11.31 O ATOM 469 CB TYR A 32 13.604 -3.961 -10.265 1.00 12.43 C ATOM 470 CG TYR A 32 12.660 -4.972 -10.875 1.00 63.15 C ATOM 471 CD1 TYR A 32 11.909 -4.659 -12.001 1.00 72.43 C ATOM 472 CD2 TYR A 32 12.521 -6.241 -10.327 1.00 23.22 C ATOM 473 CE1 TYR A 32 11.045 -5.580 -12.562 1.00 20.20 C ATOM 474 CE2 TYR A 32 11.661 -7.169 -10.882 1.00 0.13 C ATOM 475 CZ TYR A 32 10.925 -6.834 -11.999 1.00 12.52 C ATOM 476 OH TYR A 32 10.067 -7.754 -12.555 1.00 75.11 O ATOM 0 H TYR A 32 15.331 -4.779 -11.836 1.00 72.44 H new ATOM 0 HA TYR A 32 13.511 -2.588 -11.916 1.00 55.11 H new ATOM 0 HB2 TYR A 32 14.373 -4.489 -9.701 1.00 12.43 H new ATOM 0 HB3 TYR A 32 13.053 -3.346 -9.554 1.00 12.43 H new ATOM 0 HD1 TYR A 32 12.002 -3.679 -12.446 1.00 72.43 H new ATOM 0 HD2 TYR A 32 13.095 -6.507 -9.452 1.00 23.22 H new ATOM 0 HE1 TYR A 32 10.467 -5.320 -13.436 1.00 20.20 H new ATOM 0 HE2 TYR A 32 11.566 -8.151 -10.443 1.00 0.13 H new ATOM 0 HH TYR A 32 10.101 -8.587 -12.039 1.00 75.11 H new ATOM 486 N TYR A 33 16.242 -2.289 -10.097 1.00 61.12 N ATOM 487 CA TYR A 33 17.085 -1.329 -9.394 1.00 61.34 C ATOM 488 C TYR A 33 17.545 -0.218 -10.333 1.00 51.01 C ATOM 489 O TYR A 33 17.872 0.885 -9.896 1.00 11.52 O ATOM 490 CB TYR A 33 18.299 -2.034 -8.787 1.00 43.10 C ATOM 491 CG TYR A 33 19.117 -1.151 -7.872 1.00 12.24 C ATOM 492 CD1 TYR A 33 20.059 -0.268 -8.384 1.00 63.35 C ATOM 493 CD2 TYR A 33 18.946 -1.198 -6.493 1.00 72.55 C ATOM 494 CE1 TYR A 33 20.809 0.540 -7.552 1.00 32.33 C ATOM 495 CE2 TYR A 33 19.690 -0.393 -5.653 1.00 72.01 C ATOM 496 CZ TYR A 33 20.620 0.474 -6.187 1.00 23.11 C ATOM 497 OH TYR A 33 21.364 1.278 -5.354 1.00 50.20 O ATOM 0 H TYR A 33 16.643 -3.223 -10.177 1.00 61.12 H new ATOM 0 HA TYR A 33 16.495 -0.882 -8.594 1.00 61.34 H new ATOM 0 HB2 TYR A 33 17.960 -2.907 -8.229 1.00 43.10 H new ATOM 0 HB3 TYR A 33 18.937 -2.399 -9.592 1.00 43.10 H new ATOM 0 HD1 TYR A 33 20.208 -0.212 -9.452 1.00 63.35 H new ATOM 0 HD2 TYR A 33 18.219 -1.876 -6.071 1.00 72.55 H new ATOM 0 HE1 TYR A 33 21.539 1.219 -7.967 1.00 32.33 H new ATOM 0 HE2 TYR A 33 19.544 -0.442 -4.584 1.00 72.01 H new ATOM 0 HH TYR A 33 21.108 1.110 -4.423 1.00 50.20 H new ATOM 507 N LYS A 34 17.567 -0.517 -11.627 1.00 73.45 N ATOM 508 CA LYS A 34 17.984 0.455 -12.631 1.00 71.51 C ATOM 509 C LYS A 34 16.832 1.383 -13.001 1.00 51.31 C ATOM 510 O LYS A 34 17.006 2.599 -13.084 1.00 35.23 O ATOM 511 CB LYS A 34 18.497 -0.262 -13.882 1.00 43.12 C ATOM 512 CG LYS A 34 19.796 -1.018 -13.660 1.00 52.04 C ATOM 513 CD LYS A 34 20.904 -0.095 -13.182 1.00 12.21 C ATOM 514 CE LYS A 34 21.140 1.046 -14.160 1.00 22.12 C ATOM 515 NZ LYS A 34 22.549 1.526 -14.122 1.00 64.32 N ATOM 0 H LYS A 34 17.301 -1.426 -12.006 1.00 73.45 H new ATOM 0 HA LYS A 34 18.789 1.055 -12.207 1.00 71.51 H new ATOM 0 HB2 LYS A 34 17.735 -0.960 -14.229 1.00 43.12 H new ATOM 0 HB3 LYS A 34 18.644 0.470 -14.676 1.00 43.12 H new ATOM 0 HG2 LYS A 34 19.637 -1.808 -12.926 1.00 52.04 H new ATOM 0 HG3 LYS A 34 20.100 -1.502 -14.588 1.00 52.04 H new ATOM 0 HD2 LYS A 34 20.645 0.310 -12.204 1.00 12.21 H new ATOM 0 HD3 LYS A 34 21.825 -0.665 -13.057 1.00 12.21 H new ATOM 0 HE2 LYS A 34 20.896 0.715 -15.170 1.00 22.12 H new ATOM 0 HE3 LYS A 34 20.469 1.872 -13.924 1.00 22.12 H new ATOM 0 HZ1 LYS A 34 22.669 2.303 -14.802 1.00 64.32 H new ATOM 0 HZ2 LYS A 34 22.775 1.865 -13.165 1.00 64.32 H new ATOM 0 HZ3 LYS A 34 23.189 0.745 -14.372 1.00 64.32 H new ATOM 529 N GLN A 35 15.657 0.803 -13.221 1.00 33.50 N ATOM 530 CA GLN A 35 14.477 1.580 -13.581 1.00 73.41 C ATOM 531 C GLN A 35 13.946 2.352 -12.378 1.00 53.21 C ATOM 532 O GLN A 35 13.359 3.424 -12.526 1.00 74.52 O ATOM 533 CB GLN A 35 13.385 0.662 -14.135 1.00 63.00 C ATOM 534 CG GLN A 35 13.156 0.822 -15.629 1.00 43.13 C ATOM 535 CD GLN A 35 14.016 -0.114 -16.455 1.00 64.01 C ATOM 536 OE1 GLN A 35 14.362 -1.210 -16.013 1.00 73.44 O ATOM 537 NE2 GLN A 35 14.367 0.314 -17.662 1.00 43.11 N ATOM 0 H GLN A 35 15.497 -0.202 -13.156 1.00 33.50 H new ATOM 0 HA GLN A 35 14.765 2.296 -14.351 1.00 73.41 H new ATOM 0 HB2 GLN A 35 13.652 -0.374 -13.926 1.00 63.00 H new ATOM 0 HB3 GLN A 35 12.452 0.863 -13.609 1.00 63.00 H new ATOM 0 HG2 GLN A 35 12.106 0.637 -15.853 1.00 43.13 H new ATOM 0 HG3 GLN A 35 13.367 1.852 -15.917 1.00 43.13 H new ATOM 0 HE21 GLN A 35 14.058 1.230 -17.988 1.00 43.11 H new ATOM 0 HE22 GLN A 35 14.946 -0.273 -18.263 1.00 43.11 H new ATOM 546 N ALA A 36 14.156 1.801 -11.187 1.00 72.23 N ATOM 547 CA ALA A 36 13.700 2.439 -9.959 1.00 12.02 C ATOM 548 C ALA A 36 14.684 3.509 -9.498 1.00 30.32 C ATOM 549 O ALA A 36 14.474 4.161 -8.475 1.00 3.34 O ATOM 550 CB ALA A 36 13.498 1.399 -8.867 1.00 23.31 C ATOM 0 H ALA A 36 14.639 0.914 -11.047 1.00 72.23 H new ATOM 0 HA ALA A 36 12.746 2.924 -10.164 1.00 12.02 H new ATOM 0 HB1 ALA A 36 13.157 1.890 -7.955 1.00 23.31 H new ATOM 0 HB2 ALA A 36 12.751 0.673 -9.189 1.00 23.31 H new ATOM 0 HB3 ALA A 36 14.441 0.887 -8.673 1.00 23.31 H new ATOM 556 N THR A 37 15.760 3.684 -10.259 1.00 30.13 N ATOM 557 CA THR A 37 16.778 4.673 -9.927 1.00 73.02 C ATOM 558 C THR A 37 16.934 5.697 -11.046 1.00 0.15 C ATOM 559 O THR A 37 16.857 6.903 -10.812 1.00 1.33 O ATOM 560 CB THR A 37 18.142 4.008 -9.661 1.00 15.30 C ATOM 561 OG1 THR A 37 18.038 3.105 -8.555 1.00 25.31 O ATOM 562 CG2 THR A 37 19.206 5.055 -9.370 1.00 1.14 C ATOM 0 H THR A 37 15.949 3.154 -11.109 1.00 30.13 H new ATOM 0 HA THR A 37 16.445 5.177 -9.020 1.00 73.02 H new ATOM 0 HB THR A 37 18.434 3.456 -10.554 1.00 15.30 H new ATOM 0 HG1 THR A 37 17.995 2.184 -8.887 1.00 25.31 H new ATOM 0 HG21 THR A 37 20.161 4.562 -9.185 1.00 1.14 H new ATOM 0 HG22 THR A 37 19.302 5.723 -10.226 1.00 1.14 H new ATOM 0 HG23 THR A 37 18.919 5.631 -8.490 1.00 1.14 H new ATOM 570 N VAL A 38 17.153 5.209 -12.262 1.00 63.14 N ATOM 571 CA VAL A 38 17.319 6.082 -13.418 1.00 54.31 C ATOM 572 C VAL A 38 15.976 6.386 -14.074 1.00 2.34 C ATOM 573 O VAL A 38 15.518 7.528 -14.074 1.00 43.23 O ATOM 574 CB VAL A 38 18.259 5.456 -14.465 1.00 74.21 C ATOM 575 CG1 VAL A 38 18.391 6.366 -15.677 1.00 2.15 C ATOM 576 CG2 VAL A 38 19.621 5.168 -13.853 1.00 30.43 C ATOM 0 H VAL A 38 17.220 4.213 -12.473 1.00 63.14 H new ATOM 0 HA VAL A 38 17.761 7.009 -13.053 1.00 54.31 H new ATOM 0 HB VAL A 38 17.828 4.511 -14.796 1.00 74.21 H new ATOM 0 HG11 VAL A 38 19.059 5.907 -16.406 1.00 2.15 H new ATOM 0 HG12 VAL A 38 17.410 6.516 -16.128 1.00 2.15 H new ATOM 0 HG13 VAL A 38 18.799 7.328 -15.367 1.00 2.15 H new ATOM 0 HG21 VAL A 38 20.272 4.726 -14.607 1.00 30.43 H new ATOM 0 HG22 VAL A 38 20.062 6.097 -13.492 1.00 30.43 H new ATOM 0 HG23 VAL A 38 19.506 4.474 -13.020 1.00 30.43 H new ATOM 586 N GLY A 39 15.349 5.355 -14.631 1.00 51.14 N ATOM 587 CA GLY A 39 14.064 5.532 -15.283 1.00 2.44 C ATOM 588 C GLY A 39 13.933 4.699 -16.542 1.00 52.42 C ATOM 589 O GLY A 39 12.960 3.963 -16.709 1.00 4.01 O ATOM 0 H GLY A 39 15.708 4.400 -14.643 1.00 51.14 H new ATOM 0 HA2 GLY A 39 13.268 5.263 -14.589 1.00 2.44 H new ATOM 0 HA3 GLY A 39 13.928 6.585 -15.532 1.00 2.44 H new ATOM 593 N ASP A 40 14.913 4.816 -17.432 1.00 14.34 N ATOM 594 CA ASP A 40 14.902 4.068 -18.683 1.00 41.34 C ATOM 595 C ASP A 40 16.322 3.733 -19.128 1.00 44.52 C ATOM 596 O ASP A 40 17.285 4.371 -18.698 1.00 74.22 O ATOM 597 CB ASP A 40 14.188 4.868 -19.774 1.00 71.12 C ATOM 598 CG ASP A 40 15.039 6.001 -20.313 1.00 21.03 C ATOM 599 OD1 ASP A 40 15.917 5.733 -21.159 1.00 75.45 O ATOM 600 OD2 ASP A 40 14.828 7.156 -19.887 1.00 4.13 O ATOM 0 H ASP A 40 15.725 5.422 -17.310 1.00 14.34 H new ATOM 0 HA ASP A 40 14.363 3.135 -18.515 1.00 41.34 H new ATOM 0 HB2 ASP A 40 13.917 4.200 -20.592 1.00 71.12 H new ATOM 0 HB3 ASP A 40 13.259 5.274 -19.373 1.00 71.12 H new ATOM 605 N CYS A 41 16.446 2.730 -19.990 1.00 52.20 N ATOM 606 CA CYS A 41 17.749 2.309 -20.492 1.00 1.22 C ATOM 607 C CYS A 41 18.261 3.276 -21.554 1.00 40.41 C ATOM 608 O CYS A 41 17.491 3.782 -22.370 1.00 64.31 O ATOM 609 CB CYS A 41 17.664 0.896 -21.070 1.00 72.11 C ATOM 610 SG CYS A 41 19.189 0.327 -21.857 1.00 41.10 S ATOM 0 H CYS A 41 15.660 2.193 -20.356 1.00 52.20 H new ATOM 0 HA CYS A 41 18.450 2.310 -19.657 1.00 1.22 H new ATOM 0 HB2 CYS A 41 17.400 0.203 -20.271 1.00 72.11 H new ATOM 0 HB3 CYS A 41 16.856 0.862 -21.801 1.00 72.11 H new ATOM 0 HG CYS A 41 20.049 -0.011 -20.943 1.00 41.10 H new ATOM 616 N ASN A 42 19.565 3.531 -21.536 1.00 65.42 N ATOM 617 CA ASN A 42 20.180 4.440 -22.497 1.00 23.42 C ATOM 618 C ASN A 42 21.690 4.230 -22.554 1.00 44.04 C ATOM 619 O ASN A 42 22.465 5.179 -22.436 1.00 4.42 O ATOM 620 CB ASN A 42 19.869 5.891 -22.128 1.00 3.52 C ATOM 621 CG ASN A 42 20.259 6.221 -20.700 1.00 1.31 C ATOM 622 OD1 ASN A 42 21.422 6.504 -20.412 1.00 0.33 O ATOM 623 ND2 ASN A 42 19.285 6.186 -19.798 1.00 22.13 N ATOM 0 H ASN A 42 20.216 3.121 -20.867 1.00 65.42 H new ATOM 0 HA ASN A 42 19.764 4.225 -23.481 1.00 23.42 H new ATOM 0 HB2 ASN A 42 20.398 6.558 -22.809 1.00 3.52 H new ATOM 0 HB3 ASN A 42 18.803 6.077 -22.263 1.00 3.52 H new ATOM 0 HD21 ASN A 42 19.487 6.399 -18.821 1.00 22.13 H new ATOM 0 HD22 ASN A 42 18.335 5.946 -20.082 1.00 22.13 H new ATOM 630 N LYS A 43 22.102 2.980 -22.738 1.00 2.12 N ATOM 631 CA LYS A 43 23.519 2.644 -22.813 1.00 50.14 C ATOM 632 C LYS A 43 23.837 1.918 -24.116 1.00 61.43 C ATOM 633 O LYS A 43 22.971 1.305 -24.741 1.00 32.00 O ATOM 634 CB LYS A 43 23.922 1.774 -21.621 1.00 3.45 C ATOM 635 CG LYS A 43 24.020 2.542 -20.314 1.00 3.14 C ATOM 636 CD LYS A 43 25.185 3.518 -20.326 1.00 54.32 C ATOM 637 CE LYS A 43 24.814 4.836 -19.663 1.00 24.01 C ATOM 638 NZ LYS A 43 25.986 5.471 -18.998 1.00 62.05 N ATOM 0 H LYS A 43 21.474 2.182 -22.838 1.00 2.12 H new ATOM 0 HA LYS A 43 24.089 3.573 -22.786 1.00 50.14 H new ATOM 0 HB2 LYS A 43 23.195 0.970 -21.507 1.00 3.45 H new ATOM 0 HB3 LYS A 43 24.884 1.307 -21.831 1.00 3.45 H new ATOM 0 HG2 LYS A 43 23.091 3.085 -20.140 1.00 3.14 H new ATOM 0 HG3 LYS A 43 24.140 1.841 -19.488 1.00 3.14 H new ATOM 0 HD2 LYS A 43 26.037 3.076 -19.809 1.00 54.32 H new ATOM 0 HD3 LYS A 43 25.497 3.702 -21.354 1.00 54.32 H new ATOM 0 HE2 LYS A 43 24.408 5.517 -20.411 1.00 24.01 H new ATOM 0 HE3 LYS A 43 24.028 4.664 -18.928 1.00 24.01 H new ATOM 0 HZ1 LYS A 43 25.692 6.367 -18.558 1.00 62.05 H new ATOM 0 HZ2 LYS A 43 26.359 4.832 -18.267 1.00 62.05 H new ATOM 0 HZ3 LYS A 43 26.726 5.658 -19.704 1.00 62.05 H new ATOM 652 N PRO A 44 25.109 1.985 -24.537 1.00 71.40 N ATOM 653 CA PRO A 44 25.571 1.337 -25.768 1.00 74.04 C ATOM 654 C PRO A 44 25.586 -0.183 -25.653 1.00 71.52 C ATOM 655 O PRO A 44 25.770 -0.732 -24.567 1.00 23.53 O ATOM 656 CB PRO A 44 26.993 1.875 -25.940 1.00 65.40 C ATOM 657 CG PRO A 44 27.431 2.235 -24.562 1.00 60.33 C ATOM 658 CD PRO A 44 26.194 2.697 -23.843 1.00 4.33 C ATOM 0 HA PRO A 44 24.915 1.551 -26.612 1.00 74.04 H new ATOM 0 HB2 PRO A 44 27.650 1.125 -26.381 1.00 65.40 H new ATOM 0 HB3 PRO A 44 27.011 2.742 -26.600 1.00 65.40 H new ATOM 0 HG2 PRO A 44 27.878 1.378 -24.058 1.00 60.33 H new ATOM 0 HG3 PRO A 44 28.186 3.021 -24.585 1.00 60.33 H new ATOM 0 HD2 PRO A 44 26.227 2.444 -22.783 1.00 4.33 H new ATOM 0 HD3 PRO A 44 26.071 3.778 -23.909 1.00 4.33 H new ATOM 666 N LYS A 45 25.391 -0.860 -26.780 1.00 44.43 N ATOM 667 CA LYS A 45 25.384 -2.317 -26.807 1.00 64.41 C ATOM 668 C LYS A 45 26.694 -2.878 -26.261 1.00 51.14 C ATOM 669 O LYS A 45 27.783 -2.404 -26.586 1.00 11.12 O ATOM 670 CB LYS A 45 25.157 -2.821 -28.234 1.00 45.34 C ATOM 671 CG LYS A 45 25.101 -4.335 -28.344 1.00 3.42 C ATOM 672 CD LYS A 45 23.677 -4.850 -28.220 1.00 23.24 C ATOM 673 CE LYS A 45 23.006 -4.968 -29.580 1.00 4.55 C ATOM 674 NZ LYS A 45 23.328 -6.259 -30.247 1.00 45.14 N ATOM 0 H LYS A 45 25.236 -0.421 -27.688 1.00 44.43 H new ATOM 0 HA LYS A 45 24.568 -2.663 -26.172 1.00 64.41 H new ATOM 0 HB2 LYS A 45 24.225 -2.403 -28.614 1.00 45.34 H new ATOM 0 HB3 LYS A 45 25.957 -2.448 -28.873 1.00 45.34 H new ATOM 0 HG2 LYS A 45 25.520 -4.647 -29.301 1.00 3.42 H new ATOM 0 HG3 LYS A 45 25.719 -4.781 -27.565 1.00 3.42 H new ATOM 0 HD2 LYS A 45 23.683 -5.824 -27.730 1.00 23.24 H new ATOM 0 HD3 LYS A 45 23.100 -4.177 -27.586 1.00 23.24 H new ATOM 0 HE2 LYS A 45 21.926 -4.880 -29.461 1.00 4.55 H new ATOM 0 HE3 LYS A 45 23.325 -4.142 -30.215 1.00 4.55 H new ATOM 0 HZ1 LYS A 45 22.852 -6.301 -31.171 1.00 45.14 H new ATOM 0 HZ2 LYS A 45 24.356 -6.332 -30.384 1.00 45.14 H new ATOM 0 HZ3 LYS A 45 23.001 -7.048 -29.653 1.00 45.14 H new ATOM 688 N PRO A 46 26.588 -3.912 -25.414 1.00 24.02 N ATOM 689 CA PRO A 46 27.755 -4.560 -24.807 1.00 73.51 C ATOM 690 C PRO A 46 28.573 -5.350 -25.823 1.00 72.22 C ATOM 691 O PRO A 46 28.398 -5.195 -27.031 1.00 10.41 O ATOM 692 CB PRO A 46 27.138 -5.502 -23.770 1.00 14.12 C ATOM 693 CG PRO A 46 25.766 -5.782 -24.280 1.00 44.45 C ATOM 694 CD PRO A 46 25.322 -4.528 -24.983 1.00 24.33 C ATOM 0 HA PRO A 46 28.450 -3.834 -24.384 1.00 73.51 H new ATOM 0 HB2 PRO A 46 27.719 -6.419 -23.673 1.00 14.12 H new ATOM 0 HB3 PRO A 46 27.107 -5.039 -22.784 1.00 14.12 H new ATOM 0 HG2 PRO A 46 25.769 -6.632 -24.963 1.00 44.45 H new ATOM 0 HG3 PRO A 46 25.089 -6.032 -23.463 1.00 44.45 H new ATOM 0 HD2 PRO A 46 24.674 -4.751 -25.831 1.00 24.33 H new ATOM 0 HD3 PRO A 46 24.762 -3.871 -24.318 1.00 24.33 H new ATOM 702 N GLY A 47 29.467 -6.199 -25.325 1.00 71.01 N ATOM 703 CA GLY A 47 30.298 -7.001 -26.204 1.00 3.32 C ATOM 704 C GLY A 47 29.483 -7.832 -27.174 1.00 60.13 C ATOM 705 O GLY A 47 28.255 -7.757 -27.186 1.00 72.12 O ATOM 0 H GLY A 47 29.631 -6.346 -24.329 1.00 71.01 H new ATOM 0 HA2 GLY A 47 30.966 -6.347 -26.764 1.00 3.32 H new ATOM 0 HA3 GLY A 47 30.926 -7.660 -25.604 1.00 3.32 H new ATOM 709 N MET A 48 30.168 -8.626 -27.992 1.00 13.45 N ATOM 710 CA MET A 48 29.498 -9.474 -28.971 1.00 23.04 C ATOM 711 C MET A 48 29.877 -10.938 -28.770 1.00 74.13 C ATOM 712 O MET A 48 29.687 -11.767 -29.662 1.00 13.51 O ATOM 713 CB MET A 48 29.857 -9.032 -30.391 1.00 24.04 C ATOM 714 CG MET A 48 28.658 -8.581 -31.208 1.00 41.32 C ATOM 715 SD MET A 48 29.132 -7.692 -32.704 1.00 12.44 S ATOM 716 CE MET A 48 27.649 -6.735 -33.013 1.00 4.14 C ATOM 0 H MET A 48 31.185 -8.699 -27.996 1.00 13.45 H new ATOM 0 HA MET A 48 28.422 -9.372 -28.828 1.00 23.04 H new ATOM 0 HB2 MET A 48 30.578 -8.216 -30.337 1.00 24.04 H new ATOM 0 HB3 MET A 48 30.348 -9.857 -30.907 1.00 24.04 H new ATOM 0 HG2 MET A 48 28.061 -9.451 -31.481 1.00 41.32 H new ATOM 0 HG3 MET A 48 28.025 -7.940 -30.594 1.00 41.32 H new ATOM 0 HE1 MET A 48 27.786 -6.130 -33.910 1.00 4.14 H new ATOM 0 HE2 MET A 48 26.804 -7.409 -33.156 1.00 4.14 H new ATOM 0 HE3 MET A 48 27.453 -6.083 -32.162 1.00 4.14 H new ATOM 726 N LEU A 49 30.413 -11.251 -27.596 1.00 12.52 N ATOM 727 CA LEU A 49 30.818 -12.615 -27.279 1.00 22.54 C ATOM 728 C LEU A 49 30.164 -13.091 -25.985 1.00 60.34 C ATOM 729 O LEU A 49 30.346 -14.236 -25.572 1.00 70.00 O ATOM 730 CB LEU A 49 32.341 -12.701 -27.155 1.00 15.53 C ATOM 731 CG LEU A 49 33.017 -11.560 -26.393 1.00 33.33 C ATOM 732 CD1 LEU A 49 33.054 -10.299 -27.242 1.00 32.13 C ATOM 733 CD2 LEU A 49 32.299 -11.299 -25.077 1.00 15.42 C ATOM 0 H LEU A 49 30.577 -10.578 -26.847 1.00 12.52 H new ATOM 0 HA LEU A 49 30.488 -13.263 -28.091 1.00 22.54 H new ATOM 0 HB2 LEU A 49 32.593 -13.640 -26.662 1.00 15.53 H new ATOM 0 HB3 LEU A 49 32.766 -12.743 -28.158 1.00 15.53 H new ATOM 0 HG LEU A 49 34.043 -11.854 -26.172 1.00 33.33 H new ATOM 0 HD11 LEU A 49 33.538 -9.498 -26.683 1.00 32.13 H new ATOM 0 HD12 LEU A 49 33.613 -10.493 -28.157 1.00 32.13 H new ATOM 0 HD13 LEU A 49 32.037 -10.001 -27.495 1.00 32.13 H new ATOM 0 HD21 LEU A 49 32.793 -10.484 -24.548 1.00 15.42 H new ATOM 0 HD22 LEU A 49 31.263 -11.026 -25.276 1.00 15.42 H new ATOM 0 HD23 LEU A 49 32.326 -12.199 -24.463 1.00 15.42 H new ATOM 745 N GLN A 50 29.401 -12.205 -25.354 1.00 30.35 N ATOM 746 CA GLN A 50 28.719 -12.536 -24.108 1.00 75.12 C ATOM 747 C GLN A 50 27.240 -12.818 -24.356 1.00 23.32 C ATOM 748 O GLN A 50 26.618 -12.207 -25.225 1.00 52.23 O ATOM 749 CB GLN A 50 28.870 -11.396 -23.100 1.00 43.53 C ATOM 750 CG GLN A 50 29.917 -11.664 -22.031 1.00 11.21 C ATOM 751 CD GLN A 50 29.668 -10.876 -20.760 1.00 42.41 C ATOM 752 OE1 GLN A 50 29.810 -11.398 -19.654 1.00 73.01 O ATOM 753 NE2 GLN A 50 29.295 -9.610 -20.911 1.00 64.15 N ATOM 0 H GLN A 50 29.239 -11.254 -25.684 1.00 30.35 H new ATOM 0 HA GLN A 50 29.179 -13.436 -23.699 1.00 75.12 H new ATOM 0 HB2 GLN A 50 29.133 -10.483 -23.634 1.00 43.53 H new ATOM 0 HB3 GLN A 50 27.908 -11.218 -22.619 1.00 43.53 H new ATOM 0 HG2 GLN A 50 29.928 -12.729 -21.798 1.00 11.21 H new ATOM 0 HG3 GLN A 50 30.903 -11.413 -22.422 1.00 11.21 H new ATOM 0 HE21 GLN A 50 29.189 -9.218 -21.847 1.00 64.15 H new ATOM 0 HE22 GLN A 50 29.114 -9.030 -20.091 1.00 64.15 H new ATOM 762 N LEU A 51 26.684 -13.748 -23.587 1.00 52.30 N ATOM 763 CA LEU A 51 25.278 -14.112 -23.723 1.00 14.30 C ATOM 764 C LEU A 51 24.408 -13.288 -22.779 1.00 1.42 C ATOM 765 O LEU A 51 23.481 -12.604 -23.212 1.00 42.11 O ATOM 766 CB LEU A 51 25.087 -15.603 -23.440 1.00 13.33 C ATOM 767 CG LEU A 51 25.974 -16.557 -24.240 1.00 2.13 C ATOM 768 CD1 LEU A 51 26.575 -17.617 -23.330 1.00 11.15 C ATOM 769 CD2 LEU A 51 25.181 -17.205 -25.365 1.00 64.04 C ATOM 0 H LEU A 51 27.185 -14.263 -22.863 1.00 52.30 H new ATOM 0 HA LEU A 51 24.971 -13.901 -24.747 1.00 14.30 H new ATOM 0 HB2 LEU A 51 25.266 -15.777 -22.379 1.00 13.33 H new ATOM 0 HB3 LEU A 51 24.045 -15.859 -23.634 1.00 13.33 H new ATOM 0 HG LEU A 51 26.788 -15.982 -24.681 1.00 2.13 H new ATOM 0 HD11 LEU A 51 27.203 -18.287 -23.917 1.00 11.15 H new ATOM 0 HD12 LEU A 51 27.178 -17.136 -22.560 1.00 11.15 H new ATOM 0 HD13 LEU A 51 25.775 -18.189 -22.860 1.00 11.15 H new ATOM 0 HD21 LEU A 51 25.828 -17.881 -25.924 1.00 64.04 H new ATOM 0 HD22 LEU A 51 24.346 -17.766 -24.945 1.00 64.04 H new ATOM 0 HD23 LEU A 51 24.800 -16.433 -26.033 1.00 64.04 H new ATOM 781 N GLN A 52 24.716 -13.357 -21.488 1.00 13.34 N ATOM 782 CA GLN A 52 23.963 -12.615 -20.483 1.00 33.52 C ATOM 783 C GLN A 52 23.885 -11.135 -20.843 1.00 21.53 C ATOM 784 O GLN A 52 22.872 -10.481 -20.599 1.00 3.42 O ATOM 785 CB GLN A 52 24.606 -12.784 -19.105 1.00 62.44 C ATOM 786 CG GLN A 52 24.326 -14.134 -18.464 1.00 61.14 C ATOM 787 CD GLN A 52 24.869 -15.291 -19.280 1.00 35.22 C ATOM 788 OE1 GLN A 52 24.172 -16.279 -19.517 1.00 44.21 O ATOM 789 NE2 GLN A 52 26.118 -15.175 -19.714 1.00 60.32 N ATOM 0 H GLN A 52 25.481 -13.918 -21.113 1.00 13.34 H new ATOM 0 HA GLN A 52 22.950 -13.017 -20.455 1.00 33.52 H new ATOM 0 HB2 GLN A 52 25.684 -12.652 -19.198 1.00 62.44 H new ATOM 0 HB3 GLN A 52 24.244 -11.996 -18.445 1.00 62.44 H new ATOM 0 HG2 GLN A 52 24.768 -14.158 -17.468 1.00 61.14 H new ATOM 0 HG3 GLN A 52 23.250 -14.256 -18.338 1.00 61.14 H new ATOM 0 HE21 GLN A 52 26.659 -14.339 -19.494 1.00 60.32 H new ATOM 0 HE22 GLN A 52 26.537 -15.922 -20.268 1.00 60.32 H new ATOM 798 N GLU A 53 24.962 -10.615 -21.424 1.00 32.42 N ATOM 799 CA GLU A 53 25.015 -9.212 -21.816 1.00 13.02 C ATOM 800 C GLU A 53 23.771 -8.821 -22.608 1.00 74.24 C ATOM 801 O GLU A 53 23.237 -7.724 -22.447 1.00 14.41 O ATOM 802 CB GLU A 53 26.269 -8.939 -22.648 1.00 4.22 C ATOM 803 CG GLU A 53 26.143 -9.368 -24.100 1.00 35.53 C ATOM 804 CD GLU A 53 27.449 -9.247 -24.860 1.00 73.03 C ATOM 805 OE1 GLU A 53 28.336 -8.499 -24.401 1.00 3.14 O ATOM 806 OE2 GLU A 53 27.583 -9.901 -25.916 1.00 33.01 O ATOM 0 H GLU A 53 25.809 -11.144 -21.633 1.00 32.42 H new ATOM 0 HA GLU A 53 25.051 -8.609 -20.909 1.00 13.02 H new ATOM 0 HB2 GLU A 53 26.494 -7.873 -22.611 1.00 4.22 H new ATOM 0 HB3 GLU A 53 27.114 -9.459 -22.197 1.00 4.22 H new ATOM 0 HG2 GLU A 53 25.798 -10.401 -24.141 1.00 35.53 H new ATOM 0 HG3 GLU A 53 25.384 -8.759 -24.590 1.00 35.53 H new ATOM 813 N LYS A 54 23.314 -9.727 -23.466 1.00 60.32 N ATOM 814 CA LYS A 54 22.133 -9.480 -24.285 1.00 31.14 C ATOM 815 C LYS A 54 20.872 -9.455 -23.427 1.00 31.54 C ATOM 816 O LYS A 54 19.984 -8.629 -23.635 1.00 54.13 O ATOM 817 CB LYS A 54 22.004 -10.553 -25.368 1.00 63.02 C ATOM 818 CG LYS A 54 22.959 -10.358 -26.534 1.00 32.05 C ATOM 819 CD LYS A 54 24.150 -11.297 -26.442 1.00 10.13 C ATOM 820 CE LYS A 54 23.763 -12.725 -26.796 1.00 40.53 C ATOM 821 NZ LYS A 54 23.299 -12.840 -28.207 1.00 4.52 N ATOM 0 H LYS A 54 23.744 -10.640 -23.612 1.00 60.32 H new ATOM 0 HA LYS A 54 22.248 -8.506 -24.760 1.00 31.14 H new ATOM 0 HB2 LYS A 54 22.183 -11.531 -24.922 1.00 63.02 H new ATOM 0 HB3 LYS A 54 20.981 -10.557 -25.744 1.00 63.02 H new ATOM 0 HG2 LYS A 54 22.430 -10.530 -27.471 1.00 32.05 H new ATOM 0 HG3 LYS A 54 23.309 -9.326 -26.550 1.00 32.05 H new ATOM 0 HD2 LYS A 54 24.937 -10.955 -27.114 1.00 10.13 H new ATOM 0 HD3 LYS A 54 24.559 -11.270 -25.432 1.00 10.13 H new ATOM 0 HE2 LYS A 54 24.618 -13.382 -26.640 1.00 40.53 H new ATOM 0 HE3 LYS A 54 22.974 -13.064 -26.125 1.00 40.53 H new ATOM 0 HZ1 LYS A 54 23.384 -13.828 -28.521 1.00 4.52 H new ATOM 0 HZ2 LYS A 54 22.305 -12.541 -28.271 1.00 4.52 H new ATOM 0 HZ3 LYS A 54 23.884 -12.232 -28.815 1.00 4.52 H new ATOM 835 N TYR A 55 20.801 -10.365 -22.461 1.00 2.10 N ATOM 836 CA TYR A 55 19.648 -10.448 -21.572 1.00 44.30 C ATOM 837 C TYR A 55 19.597 -9.246 -20.633 1.00 71.14 C ATOM 838 O TYR A 55 18.522 -8.736 -20.316 1.00 42.25 O ATOM 839 CB TYR A 55 19.697 -11.742 -20.759 1.00 31.41 C ATOM 840 CG TYR A 55 19.888 -12.981 -21.604 1.00 61.42 C ATOM 841 CD1 TYR A 55 19.276 -13.101 -22.846 1.00 12.04 C ATOM 842 CD2 TYR A 55 20.682 -14.032 -21.161 1.00 61.35 C ATOM 843 CE1 TYR A 55 19.447 -14.232 -23.621 1.00 2.44 C ATOM 844 CE2 TYR A 55 20.860 -15.166 -21.930 1.00 64.15 C ATOM 845 CZ TYR A 55 20.240 -15.261 -23.159 1.00 24.21 C ATOM 846 OH TYR A 55 20.415 -16.388 -23.929 1.00 32.54 O ATOM 0 H TYR A 55 21.528 -11.055 -22.274 1.00 2.10 H new ATOM 0 HA TYR A 55 18.747 -10.446 -22.185 1.00 44.30 H new ATOM 0 HB2 TYR A 55 20.510 -11.676 -20.036 1.00 31.41 H new ATOM 0 HB3 TYR A 55 18.772 -11.839 -20.190 1.00 31.41 H new ATOM 0 HD1 TYR A 55 18.656 -12.296 -23.212 1.00 12.04 H new ATOM 0 HD2 TYR A 55 21.168 -13.961 -20.199 1.00 61.35 H new ATOM 0 HE1 TYR A 55 18.962 -14.310 -24.583 1.00 2.44 H new ATOM 0 HE2 TYR A 55 21.481 -15.974 -21.571 1.00 64.15 H new ATOM 0 HH TYR A 55 21.003 -17.017 -23.460 1.00 32.54 H new ATOM 856 N LYS A 56 20.767 -8.798 -20.192 1.00 23.12 N ATOM 857 CA LYS A 56 20.859 -7.655 -19.291 1.00 22.41 C ATOM 858 C LYS A 56 20.638 -6.348 -20.045 1.00 72.45 C ATOM 859 O LYS A 56 20.260 -5.336 -19.455 1.00 21.50 O ATOM 860 CB LYS A 56 22.225 -7.633 -18.600 1.00 54.11 C ATOM 861 CG LYS A 56 22.534 -8.900 -17.823 1.00 30.53 C ATOM 862 CD LYS A 56 24.029 -9.166 -17.761 1.00 72.00 C ATOM 863 CE LYS A 56 24.767 -8.036 -17.060 1.00 42.23 C ATOM 864 NZ LYS A 56 25.226 -6.994 -18.020 1.00 62.03 N ATOM 0 H LYS A 56 21.666 -9.209 -20.444 1.00 23.12 H new ATOM 0 HA LYS A 56 20.078 -7.755 -18.537 1.00 22.41 H new ATOM 0 HB2 LYS A 56 23.000 -7.479 -19.351 1.00 54.11 H new ATOM 0 HB3 LYS A 56 22.266 -6.781 -17.921 1.00 54.11 H new ATOM 0 HG2 LYS A 56 22.137 -8.814 -16.812 1.00 30.53 H new ATOM 0 HG3 LYS A 56 22.032 -9.747 -18.291 1.00 30.53 H new ATOM 0 HD2 LYS A 56 24.211 -10.103 -17.235 1.00 72.00 H new ATOM 0 HD3 LYS A 56 24.421 -9.286 -18.771 1.00 72.00 H new ATOM 0 HE2 LYS A 56 24.113 -7.581 -16.316 1.00 42.23 H new ATOM 0 HE3 LYS A 56 25.626 -8.440 -16.525 1.00 42.23 H new ATOM 0 HZ1 LYS A 56 26.105 -6.562 -17.669 1.00 62.03 H new ATOM 0 HZ2 LYS A 56 25.401 -7.430 -18.948 1.00 62.03 H new ATOM 0 HZ3 LYS A 56 24.493 -6.262 -18.114 1.00 62.03 H new ATOM 878 N TRP A 57 20.874 -6.378 -21.352 1.00 12.00 N ATOM 879 CA TRP A 57 20.698 -5.195 -22.187 1.00 64.11 C ATOM 880 C TRP A 57 19.286 -5.137 -22.759 1.00 1.12 C ATOM 881 O TRP A 57 18.747 -4.056 -22.995 1.00 23.13 O ATOM 882 CB TRP A 57 21.722 -5.191 -23.323 1.00 64.33 C ATOM 883 CG TRP A 57 21.944 -3.834 -23.919 1.00 0.23 C ATOM 884 CD1 TRP A 57 22.631 -2.795 -23.358 1.00 31.21 C ATOM 885 CD2 TRP A 57 21.475 -3.368 -25.189 1.00 21.22 C ATOM 886 NE1 TRP A 57 22.617 -1.712 -24.203 1.00 42.20 N ATOM 887 CE2 TRP A 57 21.915 -2.038 -25.333 1.00 44.13 C ATOM 888 CE3 TRP A 57 20.728 -3.946 -26.219 1.00 1.11 C ATOM 889 CZ2 TRP A 57 21.631 -1.279 -26.465 1.00 43.14 C ATOM 890 CZ3 TRP A 57 20.447 -3.191 -27.342 1.00 33.13 C ATOM 891 CH2 TRP A 57 20.898 -1.870 -27.458 1.00 50.33 C ATOM 0 H TRP A 57 21.187 -7.208 -21.856 1.00 12.00 H new ATOM 0 HA TRP A 57 20.853 -4.315 -21.564 1.00 64.11 H new ATOM 0 HB2 TRP A 57 22.671 -5.575 -22.948 1.00 64.33 H new ATOM 0 HB3 TRP A 57 21.389 -5.873 -24.105 1.00 64.33 H new ATOM 0 HD1 TRP A 57 23.114 -2.821 -22.392 1.00 31.21 H new ATOM 0 HE1 TRP A 57 23.058 -0.811 -24.019 1.00 42.20 H new ATOM 0 HE3 TRP A 57 20.377 -4.964 -26.139 1.00 1.11 H new ATOM 0 HZ2 TRP A 57 21.977 -0.260 -26.556 1.00 43.14 H new ATOM 0 HZ3 TRP A 57 19.870 -3.627 -28.144 1.00 33.13 H new ATOM 0 HH2 TRP A 57 20.663 -1.307 -28.349 1.00 50.33 H new ATOM 902 N GLU A 58 18.692 -6.306 -22.979 1.00 5.23 N ATOM 903 CA GLU A 58 17.342 -6.386 -23.524 1.00 3.44 C ATOM 904 C GLU A 58 16.301 -6.127 -22.438 1.00 64.11 C ATOM 905 O GLU A 58 15.271 -5.502 -22.688 1.00 31.44 O ATOM 906 CB GLU A 58 17.104 -7.758 -24.157 1.00 44.12 C ATOM 907 CG GLU A 58 17.846 -7.960 -25.468 1.00 52.10 C ATOM 908 CD GLU A 58 16.947 -7.796 -26.678 1.00 53.20 C ATOM 909 OE1 GLU A 58 16.370 -6.701 -26.843 1.00 55.43 O ATOM 910 OE2 GLU A 58 16.820 -8.762 -27.459 1.00 40.31 O ATOM 0 H GLU A 58 19.124 -7.210 -22.788 1.00 5.23 H new ATOM 0 HA GLU A 58 17.241 -5.618 -24.291 1.00 3.44 H new ATOM 0 HB2 GLU A 58 17.410 -8.532 -23.453 1.00 44.12 H new ATOM 0 HB3 GLU A 58 16.036 -7.889 -24.330 1.00 44.12 H new ATOM 0 HG2 GLU A 58 18.667 -7.246 -25.530 1.00 52.10 H new ATOM 0 HG3 GLU A 58 18.289 -8.956 -25.481 1.00 52.10 H new ATOM 917 N ALA A 59 16.579 -6.613 -21.233 1.00 10.04 N ATOM 918 CA ALA A 59 15.668 -6.434 -20.109 1.00 5.24 C ATOM 919 C ALA A 59 15.557 -4.963 -19.721 1.00 63.21 C ATOM 920 O ALA A 59 14.460 -4.409 -19.661 1.00 12.02 O ATOM 921 CB ALA A 59 16.130 -7.262 -18.918 1.00 41.34 C ATOM 0 H ALA A 59 17.427 -7.134 -21.010 1.00 10.04 H new ATOM 0 HA ALA A 59 14.680 -6.778 -20.416 1.00 5.24 H new ATOM 0 HB1 ALA A 59 15.441 -7.119 -18.086 1.00 41.34 H new ATOM 0 HB2 ALA A 59 16.151 -8.316 -19.194 1.00 41.34 H new ATOM 0 HB3 ALA A 59 17.129 -6.945 -18.620 1.00 41.34 H new ATOM 927 N TRP A 60 16.699 -4.338 -19.459 1.00 40.41 N ATOM 928 CA TRP A 60 16.729 -2.930 -19.076 1.00 71.45 C ATOM 929 C TRP A 60 16.115 -2.057 -20.165 1.00 63.12 C ATOM 930 O TRP A 60 15.524 -1.017 -19.879 1.00 40.12 O ATOM 931 CB TRP A 60 18.166 -2.487 -18.799 1.00 41.40 C ATOM 932 CG TRP A 60 18.256 -1.146 -18.135 1.00 21.25 C ATOM 933 CD1 TRP A 60 17.307 -0.555 -17.351 1.00 12.41 C ATOM 934 CD2 TRP A 60 19.355 -0.230 -18.197 1.00 71.55 C ATOM 935 NE1 TRP A 60 17.749 0.674 -16.923 1.00 24.11 N ATOM 936 CE2 TRP A 60 19.003 0.896 -17.428 1.00 23.33 C ATOM 937 CE3 TRP A 60 20.602 -0.253 -18.827 1.00 41.02 C ATOM 938 CZ2 TRP A 60 19.854 1.987 -17.274 1.00 23.22 C ATOM 939 CZ3 TRP A 60 21.445 0.831 -18.674 1.00 24.13 C ATOM 940 CH2 TRP A 60 21.069 1.938 -17.902 1.00 2.04 C ATOM 0 H TRP A 60 17.616 -4.783 -19.504 1.00 40.41 H new ATOM 0 HA TRP A 60 16.139 -2.813 -18.167 1.00 71.45 H new ATOM 0 HB2 TRP A 60 18.653 -3.231 -18.168 1.00 41.40 H new ATOM 0 HB3 TRP A 60 18.717 -2.457 -19.739 1.00 41.40 H new ATOM 0 HD1 TRP A 60 16.350 -0.989 -17.104 1.00 12.41 H new ATOM 0 HE1 TRP A 60 17.228 1.316 -16.326 1.00 24.11 H new ATOM 0 HE3 TRP A 60 20.901 -1.103 -19.423 1.00 41.02 H new ATOM 0 HZ2 TRP A 60 19.566 2.842 -16.680 1.00 23.22 H new ATOM 0 HZ3 TRP A 60 22.411 0.825 -19.158 1.00 24.13 H new ATOM 0 HH2 TRP A 60 21.751 2.769 -17.800 1.00 2.04 H new ATOM 951 N ASN A 61 16.260 -2.487 -21.414 1.00 71.15 N ATOM 952 CA ASN A 61 15.719 -1.743 -22.546 1.00 64.04 C ATOM 953 C ASN A 61 14.279 -2.158 -22.832 1.00 43.23 C ATOM 954 O ASN A 61 13.584 -1.521 -23.623 1.00 45.42 O ATOM 955 CB ASN A 61 16.583 -1.967 -23.790 1.00 12.35 C ATOM 956 CG ASN A 61 16.131 -1.124 -24.967 1.00 12.04 C ATOM 957 OD1 ASN A 61 16.564 0.017 -25.130 1.00 71.32 O ATOM 958 ND2 ASN A 61 15.255 -1.684 -25.793 1.00 41.21 N ATOM 0 H ASN A 61 16.747 -3.346 -21.668 1.00 71.15 H new ATOM 0 HA ASN A 61 15.729 -0.683 -22.290 1.00 64.04 H new ATOM 0 HB2 ASN A 61 17.621 -1.732 -23.555 1.00 12.35 H new ATOM 0 HB3 ASN A 61 16.550 -3.021 -24.067 1.00 12.35 H new ATOM 0 HD21 ASN A 61 14.913 -1.165 -26.602 1.00 41.21 H new ATOM 0 HD22 ASN A 61 14.924 -2.633 -25.618 1.00 41.21 H new ATOM 965 N ALA A 62 13.838 -3.230 -22.182 1.00 51.24 N ATOM 966 CA ALA A 62 12.480 -3.728 -22.364 1.00 64.35 C ATOM 967 C ALA A 62 11.487 -2.934 -21.523 1.00 74.35 C ATOM 968 O ALA A 62 10.317 -2.803 -21.886 1.00 34.14 O ATOM 969 CB ALA A 62 12.409 -5.207 -22.013 1.00 5.12 C ATOM 0 H ALA A 62 14.401 -3.770 -21.525 1.00 51.24 H new ATOM 0 HA ALA A 62 12.210 -3.602 -23.412 1.00 64.35 H new ATOM 0 HB1 ALA A 62 11.389 -5.566 -22.153 1.00 5.12 H new ATOM 0 HB2 ALA A 62 13.083 -5.767 -22.661 1.00 5.12 H new ATOM 0 HB3 ALA A 62 12.704 -5.349 -20.973 1.00 5.12 H new ATOM 975 N LEU A 63 11.959 -2.407 -20.399 1.00 52.14 N ATOM 976 CA LEU A 63 11.111 -1.626 -19.506 1.00 11.44 C ATOM 977 C LEU A 63 11.277 -0.132 -19.765 1.00 2.30 C ATOM 978 O LEU A 63 11.140 0.685 -18.855 1.00 13.54 O ATOM 979 CB LEU A 63 11.446 -1.942 -18.047 1.00 13.11 C ATOM 980 CG LEU A 63 11.873 -3.380 -17.753 1.00 62.42 C ATOM 981 CD1 LEU A 63 12.274 -3.531 -16.294 1.00 2.41 C ATOM 982 CD2 LEU A 63 10.755 -4.351 -18.104 1.00 31.25 C ATOM 0 H LEU A 63 12.924 -2.506 -20.084 1.00 52.14 H new ATOM 0 HA LEU A 63 10.073 -1.897 -19.702 1.00 11.44 H new ATOM 0 HB2 LEU A 63 12.245 -1.274 -17.726 1.00 13.11 H new ATOM 0 HB3 LEU A 63 10.573 -1.711 -17.436 1.00 13.11 H new ATOM 0 HG LEU A 63 12.739 -3.615 -18.372 1.00 62.42 H new ATOM 0 HD11 LEU A 63 12.575 -4.561 -16.104 1.00 2.41 H new ATOM 0 HD12 LEU A 63 13.107 -2.863 -16.075 1.00 2.41 H new ATOM 0 HD13 LEU A 63 11.428 -3.277 -15.656 1.00 2.41 H new ATOM 0 HD21 LEU A 63 11.077 -5.370 -17.888 1.00 31.25 H new ATOM 0 HD22 LEU A 63 9.870 -4.117 -17.512 1.00 31.25 H new ATOM 0 HD23 LEU A 63 10.516 -4.263 -19.164 1.00 31.25 H new ATOM 994 N ARG A 64 11.572 0.218 -21.013 1.00 33.31 N ATOM 995 CA ARG A 64 11.755 1.613 -21.392 1.00 45.44 C ATOM 996 C ARG A 64 10.470 2.408 -21.180 1.00 44.22 C ATOM 997 O ARG A 64 9.434 2.101 -21.768 1.00 42.21 O ATOM 998 CB ARG A 64 12.194 1.713 -22.855 1.00 11.04 C ATOM 999 CG ARG A 64 13.696 1.586 -23.050 1.00 51.11 C ATOM 1000 CD ARG A 64 14.085 1.767 -24.509 1.00 20.40 C ATOM 1001 NE ARG A 64 13.533 0.714 -25.357 1.00 73.21 N ATOM 1002 CZ ARG A 64 13.369 0.837 -26.670 1.00 4.34 C ATOM 1003 NH1 ARG A 64 13.715 1.962 -27.281 1.00 72.10 N ATOM 1004 NH2 ARG A 64 12.860 -0.166 -27.373 1.00 41.23 N ATOM 0 H ARG A 64 11.689 -0.446 -21.778 1.00 33.31 H new ATOM 0 HA ARG A 64 12.533 2.037 -20.756 1.00 45.44 H new ATOM 0 HB2 ARG A 64 11.694 0.933 -23.430 1.00 11.04 H new ATOM 0 HB3 ARG A 64 11.863 2.669 -23.260 1.00 11.04 H new ATOM 0 HG2 ARG A 64 14.207 2.331 -22.441 1.00 51.11 H new ATOM 0 HG3 ARG A 64 14.028 0.608 -22.702 1.00 51.11 H new ATOM 0 HD2 ARG A 64 13.733 2.737 -24.860 1.00 20.40 H new ATOM 0 HD3 ARG A 64 15.171 1.771 -24.597 1.00 20.40 H new ATOM 0 HE ARG A 64 13.258 -0.164 -24.917 1.00 73.21 H new ATOM 0 HH11 ARG A 64 14.108 2.735 -26.743 1.00 72.10 H new ATOM 0 HH12 ARG A 64 13.588 2.055 -28.289 1.00 72.10 H new ATOM 0 HH21 ARG A 64 12.594 -1.033 -26.906 1.00 41.23 H new ATOM 0 HH22 ARG A 64 12.735 -0.070 -28.381 1.00 41.23 H new ATOM 1018 N GLY A 65 10.546 3.432 -20.335 1.00 22.10 N ATOM 1019 CA GLY A 65 9.383 4.254 -20.060 1.00 14.34 C ATOM 1020 C GLY A 65 8.804 3.997 -18.682 1.00 53.25 C ATOM 1021 O GLY A 65 8.007 4.788 -18.180 1.00 14.54 O ATOM 0 H GLY A 65 11.392 3.706 -19.836 1.00 22.10 H new ATOM 0 HA2 GLY A 65 9.657 5.306 -20.145 1.00 14.34 H new ATOM 0 HA3 GLY A 65 8.619 4.061 -20.813 1.00 14.34 H new ATOM 1025 N MET A 66 9.204 2.887 -18.072 1.00 21.21 N ATOM 1026 CA MET A 66 8.719 2.528 -16.744 1.00 73.44 C ATOM 1027 C MET A 66 9.007 3.640 -15.741 1.00 22.41 C ATOM 1028 O MET A 66 9.942 4.421 -15.918 1.00 32.14 O ATOM 1029 CB MET A 66 9.366 1.222 -16.277 1.00 40.52 C ATOM 1030 CG MET A 66 8.522 0.449 -15.277 1.00 55.25 C ATOM 1031 SD MET A 66 8.413 -1.307 -15.671 1.00 63.03 S ATOM 1032 CE MET A 66 9.715 -1.968 -14.634 1.00 4.52 C ATOM 0 H MET A 66 9.862 2.220 -18.475 1.00 21.21 H new ATOM 0 HA MET A 66 7.640 2.389 -16.804 1.00 73.44 H new ATOM 0 HB2 MET A 66 9.556 0.590 -17.144 1.00 40.52 H new ATOM 0 HB3 MET A 66 10.333 1.446 -15.827 1.00 40.52 H new ATOM 0 HG2 MET A 66 8.947 0.568 -14.280 1.00 55.25 H new ATOM 0 HG3 MET A 66 7.519 0.874 -15.249 1.00 55.25 H new ATOM 0 HE1 MET A 66 9.796 -3.043 -14.793 1.00 4.52 H new ATOM 0 HE2 MET A 66 10.661 -1.491 -14.889 1.00 4.52 H new ATOM 0 HE3 MET A 66 9.481 -1.773 -13.587 1.00 4.52 H new ATOM 1042 N SER A 67 8.199 3.705 -14.688 1.00 34.11 N ATOM 1043 CA SER A 67 8.365 4.724 -13.658 1.00 50.14 C ATOM 1044 C SER A 67 9.110 4.161 -12.452 1.00 35.13 C ATOM 1045 O SER A 67 9.351 2.957 -12.362 1.00 62.42 O ATOM 1046 CB SER A 67 7.002 5.267 -13.223 1.00 64.14 C ATOM 1047 OG SER A 67 6.100 5.315 -14.315 1.00 62.52 O ATOM 0 H SER A 67 7.422 3.064 -14.525 1.00 34.11 H new ATOM 0 HA SER A 67 8.954 5.538 -14.079 1.00 50.14 H new ATOM 0 HB2 SER A 67 6.591 4.636 -12.435 1.00 64.14 H new ATOM 0 HB3 SER A 67 7.122 6.265 -12.802 1.00 64.14 H new ATOM 0 HG SER A 67 5.236 5.664 -14.011 1.00 62.52 H new ATOM 1053 N THR A 68 9.471 5.041 -11.524 1.00 4.43 N ATOM 1054 CA THR A 68 10.189 4.634 -10.323 1.00 4.35 C ATOM 1055 C THR A 68 9.346 3.693 -9.470 1.00 70.03 C ATOM 1056 O THR A 68 9.802 2.618 -9.081 1.00 15.41 O ATOM 1057 CB THR A 68 10.597 5.852 -9.472 1.00 2.01 C ATOM 1058 OG1 THR A 68 11.436 6.725 -10.237 1.00 20.04 O ATOM 1059 CG2 THR A 68 11.329 5.412 -8.213 1.00 13.02 C ATOM 0 H THR A 68 9.278 6.041 -11.581 1.00 4.43 H new ATOM 0 HA THR A 68 11.088 4.113 -10.654 1.00 4.35 H new ATOM 0 HB THR A 68 9.691 6.383 -9.180 1.00 2.01 H new ATOM 0 HG1 THR A 68 11.690 7.497 -9.690 1.00 20.04 H new ATOM 0 HG21 THR A 68 11.607 6.289 -7.628 1.00 13.02 H new ATOM 0 HG22 THR A 68 10.678 4.771 -7.619 1.00 13.02 H new ATOM 0 HG23 THR A 68 12.228 4.860 -8.489 1.00 13.02 H new ATOM 1067 N GLU A 69 8.114 4.104 -9.185 1.00 23.11 N ATOM 1068 CA GLU A 69 7.208 3.296 -8.378 1.00 73.51 C ATOM 1069 C GLU A 69 6.856 1.994 -9.093 1.00 44.24 C ATOM 1070 O GLU A 69 6.614 0.969 -8.456 1.00 41.13 O ATOM 1071 CB GLU A 69 5.931 4.079 -8.065 1.00 43.25 C ATOM 1072 CG GLU A 69 6.166 5.305 -7.199 1.00 23.35 C ATOM 1073 CD GLU A 69 5.781 5.077 -5.750 1.00 20.03 C ATOM 1074 OE1 GLU A 69 4.574 4.917 -5.474 1.00 53.43 O ATOM 1075 OE2 GLU A 69 6.688 5.058 -4.891 1.00 40.13 O ATOM 0 H GLU A 69 7.721 4.991 -9.501 1.00 23.11 H new ATOM 0 HA GLU A 69 7.715 3.053 -7.444 1.00 73.51 H new ATOM 0 HB2 GLU A 69 5.466 4.389 -9.001 1.00 43.25 H new ATOM 0 HB3 GLU A 69 5.224 3.419 -7.562 1.00 43.25 H new ATOM 0 HG2 GLU A 69 7.218 5.587 -7.252 1.00 23.35 H new ATOM 0 HG3 GLU A 69 5.592 6.142 -7.597 1.00 23.35 H new ATOM 1082 N SER A 70 6.830 2.044 -10.421 1.00 44.14 N ATOM 1083 CA SER A 70 6.504 0.871 -11.224 1.00 45.22 C ATOM 1084 C SER A 70 7.551 -0.223 -11.037 1.00 32.34 C ATOM 1085 O SER A 70 7.218 -1.404 -10.933 1.00 4.54 O ATOM 1086 CB SER A 70 6.406 1.250 -12.703 1.00 42.50 C ATOM 1087 OG SER A 70 5.936 0.162 -13.479 1.00 31.34 O ATOM 0 H SER A 70 7.031 2.884 -10.964 1.00 44.14 H new ATOM 0 HA SER A 70 5.540 0.489 -10.889 1.00 45.22 H new ATOM 0 HB2 SER A 70 5.735 2.101 -12.820 1.00 42.50 H new ATOM 0 HB3 SER A 70 7.384 1.564 -13.067 1.00 42.50 H new ATOM 0 HG SER A 70 5.580 0.496 -14.329 1.00 31.34 H new ATOM 1093 N ALA A 71 8.817 0.178 -10.995 1.00 11.34 N ATOM 1094 CA ALA A 71 9.913 -0.767 -10.818 1.00 14.43 C ATOM 1095 C ALA A 71 9.934 -1.323 -9.398 1.00 1.20 C ATOM 1096 O ALA A 71 9.964 -2.537 -9.196 1.00 14.12 O ATOM 1097 CB ALA A 71 11.241 -0.102 -11.146 1.00 41.24 C ATOM 0 H ALA A 71 9.109 1.151 -11.081 1.00 11.34 H new ATOM 0 HA ALA A 71 9.757 -1.600 -11.504 1.00 14.43 H new ATOM 0 HB1 ALA A 71 12.050 -0.819 -11.010 1.00 41.24 H new ATOM 0 HB2 ALA A 71 11.231 0.241 -12.181 1.00 41.24 H new ATOM 0 HB3 ALA A 71 11.395 0.750 -10.483 1.00 41.24 H new ATOM 1103 N LYS A 72 9.920 -0.427 -8.417 1.00 33.35 N ATOM 1104 CA LYS A 72 9.937 -0.828 -7.015 1.00 10.44 C ATOM 1105 C LYS A 72 8.779 -1.770 -6.704 1.00 33.05 C ATOM 1106 O LYS A 72 8.903 -2.665 -5.868 1.00 53.12 O ATOM 1107 CB LYS A 72 9.863 0.405 -6.110 1.00 72.31 C ATOM 1108 CG LYS A 72 11.037 1.354 -6.277 1.00 70.54 C ATOM 1109 CD LYS A 72 10.655 2.781 -5.923 1.00 41.04 C ATOM 1110 CE LYS A 72 11.709 3.439 -5.046 1.00 65.23 C ATOM 1111 NZ LYS A 72 12.997 3.623 -5.771 1.00 25.22 N ATOM 0 H LYS A 72 9.897 0.582 -8.567 1.00 33.35 H new ATOM 0 HA LYS A 72 10.872 -1.356 -6.825 1.00 10.44 H new ATOM 0 HB2 LYS A 72 8.939 0.944 -6.319 1.00 72.31 H new ATOM 0 HB3 LYS A 72 9.814 0.080 -5.071 1.00 72.31 H new ATOM 0 HG2 LYS A 72 11.862 1.029 -5.643 1.00 70.54 H new ATOM 0 HG3 LYS A 72 11.393 1.316 -7.307 1.00 70.54 H new ATOM 0 HD2 LYS A 72 10.526 3.362 -6.837 1.00 41.04 H new ATOM 0 HD3 LYS A 72 9.696 2.784 -5.405 1.00 41.04 H new ATOM 0 HE2 LYS A 72 11.344 4.407 -4.703 1.00 65.23 H new ATOM 0 HE3 LYS A 72 11.876 2.829 -4.158 1.00 65.23 H new ATOM 0 HZ1 LYS A 72 13.439 4.515 -5.472 1.00 25.22 H new ATOM 0 HZ2 LYS A 72 13.634 2.830 -5.553 1.00 25.22 H new ATOM 0 HZ3 LYS A 72 12.818 3.652 -6.795 1.00 25.22 H new ATOM 1125 N GLU A 73 7.654 -1.563 -7.382 1.00 44.11 N ATOM 1126 CA GLU A 73 6.475 -2.395 -7.177 1.00 70.54 C ATOM 1127 C GLU A 73 6.713 -3.812 -7.693 1.00 31.15 C ATOM 1128 O GLU A 73 6.044 -4.757 -7.274 1.00 4.43 O ATOM 1129 CB GLU A 73 5.262 -1.782 -7.881 1.00 22.35 C ATOM 1130 CG GLU A 73 4.433 -0.877 -6.985 1.00 72.12 C ATOM 1131 CD GLU A 73 3.596 0.113 -7.772 1.00 34.15 C ATOM 1132 OE1 GLU A 73 3.217 -0.208 -8.918 1.00 3.45 O ATOM 1133 OE2 GLU A 73 3.319 1.209 -7.240 1.00 33.41 O ATOM 0 H GLU A 73 7.535 -0.826 -8.078 1.00 44.11 H new ATOM 0 HA GLU A 73 6.278 -2.444 -6.106 1.00 70.54 H new ATOM 0 HB2 GLU A 73 5.603 -1.211 -8.744 1.00 22.35 H new ATOM 0 HB3 GLU A 73 4.628 -2.584 -8.260 1.00 22.35 H new ATOM 0 HG2 GLU A 73 3.778 -1.488 -6.364 1.00 72.12 H new ATOM 0 HG3 GLU A 73 5.095 -0.333 -6.311 1.00 72.12 H new ATOM 1140 N ALA A 74 7.670 -3.951 -8.604 1.00 52.23 N ATOM 1141 CA ALA A 74 7.997 -5.251 -9.176 1.00 45.00 C ATOM 1142 C ALA A 74 9.057 -5.965 -8.344 1.00 63.11 C ATOM 1143 O ALA A 74 9.157 -7.192 -8.369 1.00 64.13 O ATOM 1144 CB ALA A 74 8.471 -5.091 -10.613 1.00 71.41 C ATOM 0 H ALA A 74 8.233 -3.179 -8.962 1.00 52.23 H new ATOM 0 HA ALA A 74 7.094 -5.862 -9.169 1.00 45.00 H new ATOM 0 HB1 ALA A 74 8.712 -6.070 -11.028 1.00 71.41 H new ATOM 0 HB2 ALA A 74 7.682 -4.629 -11.207 1.00 71.41 H new ATOM 0 HB3 ALA A 74 9.359 -4.459 -10.635 1.00 71.41 H new ATOM 1150 N TYR A 75 9.846 -5.190 -7.609 1.00 24.15 N ATOM 1151 CA TYR A 75 10.901 -5.749 -6.771 1.00 43.12 C ATOM 1152 C TYR A 75 10.314 -6.449 -5.550 1.00 33.51 C ATOM 1153 O TYR A 75 10.924 -7.359 -4.988 1.00 1.24 O ATOM 1154 CB TYR A 75 11.866 -4.648 -6.327 1.00 14.12 C ATOM 1155 CG TYR A 75 13.259 -5.150 -6.023 1.00 1.22 C ATOM 1156 CD1 TYR A 75 13.511 -5.917 -4.892 1.00 12.12 C ATOM 1157 CD2 TYR A 75 14.324 -4.856 -6.866 1.00 31.45 C ATOM 1158 CE1 TYR A 75 14.782 -6.377 -4.610 1.00 25.25 C ATOM 1159 CE2 TYR A 75 15.598 -5.314 -6.592 1.00 4.31 C ATOM 1160 CZ TYR A 75 15.823 -6.073 -5.463 1.00 33.42 C ATOM 1161 OH TYR A 75 17.091 -6.530 -5.186 1.00 1.40 O ATOM 0 H TYR A 75 9.776 -4.173 -7.576 1.00 24.15 H new ATOM 0 HA TYR A 75 11.447 -6.485 -7.361 1.00 43.12 H new ATOM 0 HB2 TYR A 75 11.924 -3.891 -7.109 1.00 14.12 H new ATOM 0 HB3 TYR A 75 11.463 -4.160 -5.440 1.00 14.12 H new ATOM 0 HD1 TYR A 75 12.699 -6.157 -4.222 1.00 12.12 H new ATOM 0 HD2 TYR A 75 14.153 -4.260 -7.750 1.00 31.45 H new ATOM 0 HE1 TYR A 75 14.960 -6.972 -3.726 1.00 25.25 H new ATOM 0 HE2 TYR A 75 16.414 -5.079 -7.259 1.00 4.31 H new ATOM 0 HH TYR A 75 17.744 -5.830 -5.397 1.00 1.40 H new ATOM 1171 N VAL A 76 9.123 -6.019 -5.145 1.00 30.31 N ATOM 1172 CA VAL A 76 8.450 -6.605 -3.992 1.00 22.04 C ATOM 1173 C VAL A 76 7.657 -7.845 -4.389 1.00 53.43 C ATOM 1174 O VAL A 76 7.497 -8.774 -3.598 1.00 13.25 O ATOM 1175 CB VAL A 76 7.500 -5.594 -3.323 1.00 4.24 C ATOM 1176 CG1 VAL A 76 6.920 -6.173 -2.041 1.00 43.12 C ATOM 1177 CG2 VAL A 76 8.225 -4.285 -3.046 1.00 23.43 C ATOM 0 H VAL A 76 8.604 -5.267 -5.599 1.00 30.31 H new ATOM 0 HA VAL A 76 9.227 -6.887 -3.282 1.00 22.04 H new ATOM 0 HB VAL A 76 6.676 -5.389 -4.006 1.00 4.24 H new ATOM 0 HG11 VAL A 76 6.251 -5.444 -1.583 1.00 43.12 H new ATOM 0 HG12 VAL A 76 6.364 -7.082 -2.271 1.00 43.12 H new ATOM 0 HG13 VAL A 76 7.729 -6.408 -1.349 1.00 43.12 H new ATOM 0 HG21 VAL A 76 7.539 -3.582 -2.573 1.00 23.43 H new ATOM 0 HG22 VAL A 76 9.069 -4.470 -2.382 1.00 23.43 H new ATOM 0 HG23 VAL A 76 8.587 -3.864 -3.984 1.00 23.43 H new ATOM 1187 N LYS A 77 7.161 -7.853 -5.622 1.00 43.22 N ATOM 1188 CA LYS A 77 6.385 -8.979 -6.128 1.00 2.20 C ATOM 1189 C LYS A 77 7.299 -10.052 -6.710 1.00 65.01 C ATOM 1190 O LYS A 77 7.038 -11.248 -6.570 1.00 53.55 O ATOM 1191 CB LYS A 77 5.395 -8.504 -7.194 1.00 31.31 C ATOM 1192 CG LYS A 77 4.226 -7.715 -6.630 1.00 42.11 C ATOM 1193 CD LYS A 77 3.027 -8.609 -6.363 1.00 53.41 C ATOM 1194 CE LYS A 77 2.327 -9.004 -7.655 1.00 3.52 C ATOM 1195 NZ LYS A 77 1.392 -10.145 -7.453 1.00 3.22 N ATOM 0 H LYS A 77 7.283 -7.092 -6.290 1.00 43.22 H new ATOM 0 HA LYS A 77 5.832 -9.411 -5.294 1.00 2.20 H new ATOM 0 HB2 LYS A 77 5.924 -7.885 -7.919 1.00 31.31 H new ATOM 0 HB3 LYS A 77 5.011 -9.370 -7.733 1.00 31.31 H new ATOM 0 HG2 LYS A 77 4.529 -7.225 -5.705 1.00 42.11 H new ATOM 0 HG3 LYS A 77 3.945 -6.928 -7.330 1.00 42.11 H new ATOM 0 HD2 LYS A 77 3.351 -9.506 -5.835 1.00 53.41 H new ATOM 0 HD3 LYS A 77 2.324 -8.091 -5.711 1.00 53.41 H new ATOM 0 HE2 LYS A 77 1.777 -8.148 -8.046 1.00 3.52 H new ATOM 0 HE3 LYS A 77 3.072 -9.273 -8.404 1.00 3.52 H new ATOM 0 HZ1 LYS A 77 0.935 -10.384 -8.356 1.00 3.22 H new ATOM 0 HZ2 LYS A 77 1.921 -10.970 -7.104 1.00 3.22 H new ATOM 0 HZ3 LYS A 77 0.666 -9.880 -6.757 1.00 3.22 H new ATOM 1209 N LEU A 78 8.373 -9.618 -7.361 1.00 60.54 N ATOM 1210 CA LEU A 78 9.328 -10.543 -7.964 1.00 13.35 C ATOM 1211 C LEU A 78 10.174 -11.225 -6.894 1.00 20.04 C ATOM 1212 O LEU A 78 10.376 -12.440 -6.928 1.00 4.41 O ATOM 1213 CB LEU A 78 10.232 -9.802 -8.950 1.00 2.32 C ATOM 1214 CG LEU A 78 11.196 -10.670 -9.759 1.00 61.12 C ATOM 1215 CD1 LEU A 78 12.427 -11.012 -8.935 1.00 22.15 C ATOM 1216 CD2 LEU A 78 10.501 -11.938 -10.234 1.00 41.34 C ATOM 0 H LEU A 78 8.605 -8.632 -7.485 1.00 60.54 H new ATOM 0 HA LEU A 78 8.767 -11.308 -8.500 1.00 13.35 H new ATOM 0 HB2 LEU A 78 9.601 -9.249 -9.646 1.00 2.32 H new ATOM 0 HB3 LEU A 78 10.815 -9.067 -8.396 1.00 2.32 H new ATOM 0 HG LEU A 78 11.516 -10.105 -10.634 1.00 61.12 H new ATOM 0 HD11 LEU A 78 13.101 -11.630 -9.528 1.00 22.15 H new ATOM 0 HD12 LEU A 78 12.937 -10.094 -8.645 1.00 22.15 H new ATOM 0 HD13 LEU A 78 12.126 -11.558 -8.041 1.00 22.15 H new ATOM 0 HD21 LEU A 78 11.202 -12.544 -10.808 1.00 41.34 H new ATOM 0 HD22 LEU A 78 10.152 -12.506 -9.372 1.00 41.34 H new ATOM 0 HD23 LEU A 78 9.651 -11.673 -10.863 1.00 41.34 H new ATOM 1228 N LEU A 79 10.665 -10.437 -5.943 1.00 74.13 N ATOM 1229 CA LEU A 79 11.488 -10.965 -4.861 1.00 34.23 C ATOM 1230 C LEU A 79 10.779 -12.113 -4.148 1.00 41.22 C ATOM 1231 O LEU A 79 11.421 -12.974 -3.547 1.00 2.03 O ATOM 1232 CB LEU A 79 11.822 -9.857 -3.860 1.00 74.24 C ATOM 1233 CG LEU A 79 12.644 -10.278 -2.642 1.00 63.42 C ATOM 1234 CD1 LEU A 79 13.849 -11.102 -3.071 1.00 32.15 C ATOM 1235 CD2 LEU A 79 13.086 -9.057 -1.849 1.00 31.22 C ATOM 0 H LEU A 79 10.507 -9.430 -5.900 1.00 74.13 H new ATOM 0 HA LEU A 79 12.413 -11.346 -5.294 1.00 34.23 H new ATOM 0 HB2 LEU A 79 12.365 -9.072 -4.386 1.00 74.24 H new ATOM 0 HB3 LEU A 79 10.888 -9.419 -3.509 1.00 74.24 H new ATOM 0 HG LEU A 79 12.017 -10.896 -2.000 1.00 63.42 H new ATOM 0 HD11 LEU A 79 14.423 -11.393 -2.191 1.00 32.15 H new ATOM 0 HD12 LEU A 79 13.511 -11.996 -3.595 1.00 32.15 H new ATOM 0 HD13 LEU A 79 14.478 -10.508 -3.734 1.00 32.15 H new ATOM 0 HD21 LEU A 79 13.670 -9.376 -0.986 1.00 31.22 H new ATOM 0 HD22 LEU A 79 13.696 -8.413 -2.482 1.00 31.22 H new ATOM 0 HD23 LEU A 79 12.209 -8.506 -1.510 1.00 31.22 H new ATOM 1247 N ASP A 80 9.453 -12.119 -4.222 1.00 32.11 N ATOM 1248 CA ASP A 80 8.657 -13.163 -3.587 1.00 14.22 C ATOM 1249 C ASP A 80 8.972 -14.529 -4.188 1.00 41.33 C ATOM 1250 O ASP A 80 8.796 -15.561 -3.540 1.00 5.11 O ATOM 1251 CB ASP A 80 7.165 -12.858 -3.736 1.00 22.21 C ATOM 1252 CG ASP A 80 6.301 -13.762 -2.878 1.00 42.32 C ATOM 1253 OD1 ASP A 80 6.479 -13.753 -1.642 1.00 73.03 O ATOM 1254 OD2 ASP A 80 5.448 -14.478 -3.443 1.00 60.10 O ATOM 0 H ASP A 80 8.906 -11.413 -4.715 1.00 32.11 H new ATOM 0 HA ASP A 80 8.912 -13.185 -2.527 1.00 14.22 H new ATOM 0 HB2 ASP A 80 6.981 -11.819 -3.464 1.00 22.21 H new ATOM 0 HB3 ASP A 80 6.877 -12.970 -4.781 1.00 22.21 H new ATOM 1259 N THR A 81 9.438 -14.528 -5.433 1.00 62.24 N ATOM 1260 CA THR A 81 9.776 -15.767 -6.124 1.00 11.53 C ATOM 1261 C THR A 81 11.156 -16.267 -5.712 1.00 52.30 C ATOM 1262 O THR A 81 11.438 -17.464 -5.777 1.00 4.12 O ATOM 1263 CB THR A 81 9.744 -15.584 -7.653 1.00 34.11 C ATOM 1264 OG1 THR A 81 9.517 -16.845 -8.292 1.00 20.40 O ATOM 1265 CG2 THR A 81 11.048 -14.983 -8.154 1.00 21.11 C ATOM 0 H THR A 81 9.590 -13.683 -5.984 1.00 62.24 H new ATOM 0 HA THR A 81 9.025 -16.504 -5.838 1.00 11.53 H new ATOM 0 HB THR A 81 8.931 -14.901 -7.898 1.00 34.11 H new ATOM 0 HG1 THR A 81 9.496 -16.720 -9.264 1.00 20.40 H new ATOM 0 HG21 THR A 81 11.001 -14.863 -9.236 1.00 21.11 H new ATOM 0 HG22 THR A 81 11.203 -14.010 -7.688 1.00 21.11 H new ATOM 0 HG23 THR A 81 11.876 -15.644 -7.897 1.00 21.11 H new ATOM 1273 N LEU A 82 12.012 -15.344 -5.288 1.00 41.10 N ATOM 1274 CA LEU A 82 13.364 -15.692 -4.864 1.00 41.44 C ATOM 1275 C LEU A 82 13.395 -16.051 -3.382 1.00 73.44 C ATOM 1276 O LEU A 82 13.810 -17.148 -3.008 1.00 40.41 O ATOM 1277 CB LEU A 82 14.320 -14.530 -5.139 1.00 4.33 C ATOM 1278 CG LEU A 82 14.416 -14.068 -6.593 1.00 54.22 C ATOM 1279 CD1 LEU A 82 14.217 -12.563 -6.690 1.00 33.24 C ATOM 1280 CD2 LEU A 82 15.755 -14.470 -7.194 1.00 75.31 C ATOM 0 H LEU A 82 11.794 -14.349 -5.229 1.00 41.10 H new ATOM 0 HA LEU A 82 13.685 -16.562 -5.436 1.00 41.44 H new ATOM 0 HB2 LEU A 82 14.012 -13.681 -4.529 1.00 4.33 H new ATOM 0 HB3 LEU A 82 15.316 -14.819 -4.804 1.00 4.33 H new ATOM 0 HG LEU A 82 13.624 -14.556 -7.161 1.00 54.22 H new ATOM 0 HD11 LEU A 82 14.289 -12.253 -7.732 1.00 33.24 H new ATOM 0 HD12 LEU A 82 13.234 -12.300 -6.300 1.00 33.24 H new ATOM 0 HD13 LEU A 82 14.986 -12.056 -6.107 1.00 33.24 H new ATOM 0 HD21 LEU A 82 15.805 -14.133 -8.229 1.00 75.31 H new ATOM 0 HD22 LEU A 82 16.562 -14.011 -6.623 1.00 75.31 H new ATOM 0 HD23 LEU A 82 15.858 -15.555 -7.160 1.00 75.31 H new ATOM 1292 N ALA A 83 12.950 -15.121 -2.544 1.00 21.33 N ATOM 1293 CA ALA A 83 12.923 -15.342 -1.103 1.00 55.11 C ATOM 1294 C ALA A 83 11.690 -14.702 -0.473 1.00 41.12 C ATOM 1295 O ALA A 83 11.739 -13.591 0.055 1.00 42.32 O ATOM 1296 CB ALA A 83 14.189 -14.796 -0.461 1.00 65.13 C ATOM 0 H ALA A 83 12.603 -14.208 -2.838 1.00 21.33 H new ATOM 0 HA ALA A 83 12.874 -16.416 -0.926 1.00 55.11 H new ATOM 0 HB1 ALA A 83 14.155 -14.968 0.615 1.00 65.13 H new ATOM 0 HB2 ALA A 83 15.058 -15.302 -0.882 1.00 65.13 H new ATOM 0 HB3 ALA A 83 14.263 -13.726 -0.655 1.00 65.13 H new ATOM 1302 N PRO A 84 10.557 -15.417 -0.529 1.00 71.22 N ATOM 1303 CA PRO A 84 9.290 -14.938 0.031 1.00 32.01 C ATOM 1304 C PRO A 84 9.307 -14.902 1.555 1.00 10.44 C ATOM 1305 O PRO A 84 8.367 -14.415 2.185 1.00 64.42 O ATOM 1306 CB PRO A 84 8.270 -15.965 -0.468 1.00 24.22 C ATOM 1307 CG PRO A 84 9.064 -17.205 -0.698 1.00 35.24 C ATOM 1308 CD PRO A 84 10.425 -16.749 -1.143 1.00 63.13 C ATOM 0 HA PRO A 84 9.070 -13.915 -0.275 1.00 32.01 H new ATOM 0 HB2 PRO A 84 7.482 -16.130 0.267 1.00 24.22 H new ATOM 0 HB3 PRO A 84 7.786 -15.629 -1.385 1.00 24.22 H new ATOM 0 HG2 PRO A 84 9.130 -17.800 0.213 1.00 35.24 H new ATOM 0 HG3 PRO A 84 8.596 -17.833 -1.456 1.00 35.24 H new ATOM 0 HD2 PRO A 84 11.207 -17.428 -0.803 1.00 63.13 H new ATOM 0 HD3 PRO A 84 10.497 -16.699 -2.230 1.00 63.13 H new ATOM 1316 N SER A 85 10.381 -15.418 2.143 1.00 23.41 N ATOM 1317 CA SER A 85 10.519 -15.448 3.595 1.00 50.25 C ATOM 1318 C SER A 85 10.783 -14.049 4.144 1.00 51.04 C ATOM 1319 O SER A 85 10.795 -13.839 5.356 1.00 3.34 O ATOM 1320 CB SER A 85 11.653 -16.390 4.001 1.00 24.14 C ATOM 1321 OG SER A 85 11.712 -17.517 3.145 1.00 63.25 O ATOM 0 H SER A 85 11.169 -15.821 1.636 1.00 23.41 H new ATOM 0 HA SER A 85 9.583 -15.815 4.017 1.00 50.25 H new ATOM 0 HB2 SER A 85 12.602 -15.856 3.969 1.00 24.14 H new ATOM 0 HB3 SER A 85 11.506 -16.718 5.030 1.00 24.14 H new ATOM 0 HG SER A 85 12.446 -18.102 3.425 1.00 63.25 H new ATOM 1327 N TRP A 86 10.993 -13.097 3.242 1.00 4.21 N ATOM 1328 CA TRP A 86 11.257 -11.717 3.635 1.00 24.32 C ATOM 1329 C TRP A 86 9.965 -11.002 4.013 1.00 30.10 C ATOM 1330 O TRP A 86 9.966 -10.099 4.850 1.00 64.21 O ATOM 1331 CB TRP A 86 11.957 -10.967 2.501 1.00 60.04 C ATOM 1332 CG TRP A 86 11.014 -10.472 1.446 1.00 43.20 C ATOM 1333 CD1 TRP A 86 10.182 -11.227 0.670 1.00 21.44 C ATOM 1334 CD2 TRP A 86 10.809 -9.111 1.050 1.00 22.24 C ATOM 1335 NE1 TRP A 86 9.472 -10.418 -0.184 1.00 30.43 N ATOM 1336 CE2 TRP A 86 9.838 -9.116 0.030 1.00 13.23 C ATOM 1337 CE3 TRP A 86 11.350 -7.889 1.460 1.00 71.42 C ATOM 1338 CZ2 TRP A 86 9.399 -7.946 -0.585 1.00 31.34 C ATOM 1339 CZ3 TRP A 86 10.914 -6.730 0.848 1.00 15.44 C ATOM 1340 CH2 TRP A 86 9.945 -6.764 -0.164 1.00 64.31 C ATOM 0 H TRP A 86 10.986 -13.255 2.234 1.00 4.21 H new ATOM 0 HA TRP A 86 11.910 -11.733 4.508 1.00 24.32 H new ATOM 0 HB2 TRP A 86 12.502 -10.120 2.917 1.00 60.04 H new ATOM 0 HB3 TRP A 86 12.694 -11.625 2.040 1.00 60.04 H new ATOM 0 HD1 TRP A 86 10.095 -12.302 0.720 1.00 21.44 H new ATOM 0 HE1 TRP A 86 8.784 -10.736 -0.867 1.00 30.43 H new ATOM 0 HE3 TRP A 86 12.095 -7.852 2.241 1.00 71.42 H new ATOM 0 HZ2 TRP A 86 8.654 -7.971 -1.367 1.00 31.34 H new ATOM 0 HZ3 TRP A 86 11.327 -5.781 1.155 1.00 15.44 H new ATOM 0 HH2 TRP A 86 9.623 -5.840 -0.620 1.00 64.31 H new ATOM 1351 N ARG A 87 8.864 -11.411 3.392 1.00 72.44 N ATOM 1352 CA ARG A 87 7.565 -10.808 3.663 1.00 75.21 C ATOM 1353 C ARG A 87 6.845 -11.550 4.786 1.00 53.43 C ATOM 1354 O ARG A 87 6.120 -10.947 5.576 1.00 52.42 O ATOM 1355 CB ARG A 87 6.702 -10.813 2.399 1.00 22.23 C ATOM 1356 CG ARG A 87 6.572 -12.184 1.757 1.00 73.45 C ATOM 1357 CD ARG A 87 5.501 -12.194 0.676 1.00 4.43 C ATOM 1358 NE ARG A 87 5.841 -11.312 -0.438 1.00 33.51 N ATOM 1359 CZ ARG A 87 5.005 -11.027 -1.430 1.00 15.33 C ATOM 1360 NH1 ARG A 87 3.786 -11.549 -1.446 1.00 22.45 N ATOM 1361 NH2 ARG A 87 5.386 -10.216 -2.408 1.00 45.03 N ATOM 0 H ARG A 87 8.846 -12.158 2.697 1.00 72.44 H new ATOM 0 HA ARG A 87 7.730 -9.778 3.978 1.00 75.21 H new ATOM 0 HB2 ARG A 87 5.708 -10.441 2.646 1.00 22.23 H new ATOM 0 HB3 ARG A 87 7.130 -10.121 1.674 1.00 22.23 H new ATOM 0 HG2 ARG A 87 7.529 -12.477 1.325 1.00 73.45 H new ATOM 0 HG3 ARG A 87 6.327 -12.923 2.520 1.00 73.45 H new ATOM 0 HD2 ARG A 87 5.368 -13.211 0.306 1.00 4.43 H new ATOM 0 HD3 ARG A 87 4.549 -11.884 1.106 1.00 4.43 H new ATOM 0 HE ARG A 87 6.771 -10.892 -0.455 1.00 33.51 H new ATOM 0 HH11 ARG A 87 3.488 -12.171 -0.695 1.00 22.45 H new ATOM 0 HH12 ARG A 87 3.147 -11.328 -2.209 1.00 22.45 H new ATOM 0 HH21 ARG A 87 6.322 -9.810 -2.399 1.00 45.03 H new ATOM 0 HH22 ARG A 87 4.743 -9.998 -3.169 1.00 45.03 H new ATOM 1375 N ASN A 88 7.050 -12.861 4.849 1.00 63.13 N ATOM 1376 CA ASN A 88 6.420 -13.685 5.874 1.00 62.21 C ATOM 1377 C ASN A 88 7.440 -14.610 6.531 1.00 21.21 C ATOM 1378 O ASN A 88 8.317 -15.158 5.863 1.00 53.30 O ATOM 1379 CB ASN A 88 5.283 -14.510 5.267 1.00 24.11 C ATOM 1380 CG ASN A 88 5.773 -15.811 4.661 1.00 50.04 C ATOM 1381 OD1 ASN A 88 5.666 -16.873 5.273 1.00 31.43 O ATOM 1382 ND2 ASN A 88 6.314 -15.733 3.451 1.00 42.35 N ATOM 0 H ASN A 88 7.648 -13.376 4.202 1.00 63.13 H new ATOM 0 HA ASN A 88 6.012 -13.023 6.637 1.00 62.21 H new ATOM 0 HB2 ASN A 88 4.544 -14.727 6.038 1.00 24.11 H new ATOM 0 HB3 ASN A 88 4.780 -13.921 4.500 1.00 24.11 H new ATOM 0 HD21 ASN A 88 6.661 -16.575 2.992 1.00 42.35 H new ATOM 0 HD22 ASN A 88 6.382 -14.831 2.980 1.00 42.35 H new