USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 854 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 117 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 118 GLN : amide:sc= -0.0499 X(o=-0.05,f=-0.05) USER MOD Set 2.1: A 85 LYS NZ :NH3+ -168:sc= 0.228 (180deg=0.171) USER MOD Set 2.2: A 100 THR OG1 : rot 138:sc= 0.257 USER MOD Set 3.1: A 18 ASN : amide:sc= 0.231 K(o=0.59,f=-0.097) USER MOD Set 3.2: A 95 TYR OH : rot 30:sc= 0.356 USER MOD Set 4.1: A 46 THR OG1 : rot 65:sc= 0.437 USER MOD Set 4.2: A 56 GLN : amide:sc= 0.227 X(o=0.66,f=0.22) USER MOD Single : A 3 LYS NZ :NH3+ -175:sc= 0.902 (180deg=0.883) USER MOD Single : A 5 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0581) USER MOD Single : A 7 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.32) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 17 LYS NZ :NH3+ -172:sc= -0.0118 (180deg=-0.0893) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -76:sc= 1.14 USER MOD Single : A 26 THR OG1 : rot -1:sc= 0.253 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -126:sc= 0.507 (180deg=0.0678) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0672 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00538) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.266 X(o=-0.27,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.266 K(o=-0.27,f=-1.6) USER MOD Single : A 81 TYR OH : rot -121:sc= 0.475 USER MOD Single : A 86 MET CE :methyl 166:sc= -0.626 (180deg=-1.5) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -3.94! K(o=-3.9!,f=-0.29) USER MOD Single : A 92 THR OG1 : rot -87:sc= 0.46 USER MOD Single : A 103 SER OG : rot 75:sc= 0.352 USER MOD Single : A 112 LYS NZ :NH3+ 173:sc=-0.00144 (180deg=-0.0713) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -1.895 19.490 -3.782 1.00 65.15 N ATOM 43 CA LYS A 3 -1.698 18.169 -3.122 1.00 45.50 C ATOM 44 C LYS A 3 -0.993 18.279 -1.748 1.00 52.14 C ATOM 45 O LYS A 3 0.012 18.977 -1.597 1.00 30.01 O ATOM 46 CB LYS A 3 -0.868 17.243 -4.031 1.00 61.35 C ATOM 47 CG LYS A 3 -1.563 16.768 -5.323 1.00 40.44 C ATOM 48 CD LYS A 3 -2.541 15.586 -5.084 1.00 24.43 C ATOM 49 CE LYS A 3 -2.919 14.867 -6.390 1.00 64.33 C ATOM 50 NZ LYS A 3 -3.628 13.590 -6.143 1.00 64.25 N ATOM 0 HA LYS A 3 -2.693 17.757 -2.954 1.00 45.50 H new ATOM 0 HB2 LYS A 3 0.050 17.763 -4.305 1.00 61.35 H new ATOM 0 HB3 LYS A 3 -0.577 16.365 -3.454 1.00 61.35 H new ATOM 0 HG2 LYS A 3 -2.110 17.602 -5.763 1.00 40.44 H new ATOM 0 HG3 LYS A 3 -0.806 16.466 -6.047 1.00 40.44 H new ATOM 0 HD2 LYS A 3 -2.084 14.872 -4.398 1.00 24.43 H new ATOM 0 HD3 LYS A 3 -3.445 15.957 -4.602 1.00 24.43 H new ATOM 0 HE2 LYS A 3 -3.550 15.520 -6.992 1.00 64.33 H new ATOM 0 HE3 LYS A 3 -2.017 14.673 -6.970 1.00 64.33 H new ATOM 0 HZ1 LYS A 3 -3.787 13.101 -7.047 1.00 64.25 H new ATOM 0 HZ2 LYS A 3 -3.052 12.988 -5.520 1.00 64.25 H new ATOM 0 HZ3 LYS A 3 -4.543 13.783 -5.688 1.00 64.25 H new ATOM 64 N GLU A 4 -1.515 17.528 -0.781 1.00 24.21 N ATOM 65 CA GLU A 4 -0.975 17.449 0.592 1.00 65.22 C ATOM 66 C GLU A 4 -0.855 15.973 1.028 1.00 1.21 C ATOM 67 O GLU A 4 -1.782 15.186 0.835 1.00 45.24 O ATOM 68 CB GLU A 4 -1.892 18.228 1.568 1.00 4.35 C ATOM 69 CG GLU A 4 -1.420 18.199 3.033 1.00 22.05 C ATOM 70 CD GLU A 4 -2.291 19.053 3.971 1.00 64.21 C ATOM 71 OE1 GLU A 4 -3.279 18.533 4.536 1.00 43.51 O ATOM 72 OE2 GLU A 4 -1.984 20.251 4.149 1.00 71.11 O ATOM 0 H GLU A 4 -2.339 16.944 -0.923 1.00 24.21 H new ATOM 0 HA GLU A 4 0.017 17.900 0.611 1.00 65.22 H new ATOM 0 HB2 GLU A 4 -1.957 19.265 1.239 1.00 4.35 H new ATOM 0 HB3 GLU A 4 -2.898 17.813 1.514 1.00 4.35 H new ATOM 0 HG2 GLU A 4 -1.420 17.168 3.387 1.00 22.05 H new ATOM 0 HG3 GLU A 4 -0.390 18.553 3.083 1.00 22.05 H new ATOM 79 N LYS A 5 0.291 15.611 1.626 1.00 34.34 N ATOM 80 CA LYS A 5 0.567 14.229 2.054 1.00 32.04 C ATOM 81 C LYS A 5 -0.222 13.864 3.336 1.00 31.10 C ATOM 82 O LYS A 5 -0.338 14.662 4.268 1.00 51.33 O ATOM 83 CB LYS A 5 2.105 14.027 2.221 1.00 52.41 C ATOM 84 CG LYS A 5 2.584 12.565 2.490 1.00 23.13 C ATOM 85 CD LYS A 5 2.635 12.180 3.995 1.00 20.43 C ATOM 86 CE LYS A 5 3.617 13.050 4.797 1.00 43.33 C ATOM 87 NZ LYS A 5 5.014 12.933 4.292 1.00 55.30 N ATOM 0 H LYS A 5 1.049 16.263 1.826 1.00 34.34 H new ATOM 0 HA LYS A 5 0.221 13.542 1.282 1.00 32.04 H new ATOM 0 HB2 LYS A 5 2.598 14.388 1.318 1.00 52.41 H new ATOM 0 HB3 LYS A 5 2.446 14.656 3.044 1.00 52.41 H new ATOM 0 HG2 LYS A 5 1.918 11.875 1.972 1.00 23.13 H new ATOM 0 HG3 LYS A 5 3.577 12.434 2.059 1.00 23.13 H new ATOM 0 HD2 LYS A 5 1.638 12.275 4.424 1.00 20.43 H new ATOM 0 HD3 LYS A 5 2.924 11.133 4.088 1.00 20.43 H new ATOM 0 HE2 LYS A 5 3.301 14.092 4.748 1.00 43.33 H new ATOM 0 HE3 LYS A 5 3.586 12.757 5.846 1.00 43.33 H new ATOM 0 HZ1 LYS A 5 5.656 13.455 4.923 1.00 55.30 H new ATOM 0 HZ2 LYS A 5 5.291 11.931 4.267 1.00 55.30 H new ATOM 0 HZ3 LYS A 5 5.071 13.332 3.333 1.00 55.30 H new ATOM 101 N ILE A 6 -0.731 12.626 3.355 1.00 64.21 N ATOM 102 CA ILE A 6 -1.517 12.049 4.464 1.00 71.04 C ATOM 103 C ILE A 6 -1.091 10.570 4.653 1.00 24.15 C ATOM 104 O ILE A 6 -0.914 9.819 3.686 1.00 1.24 O ATOM 105 CB ILE A 6 -3.084 12.139 4.233 1.00 3.42 C ATOM 106 CG1 ILE A 6 -3.505 11.332 2.961 1.00 21.02 C ATOM 107 CG2 ILE A 6 -3.568 13.613 4.166 1.00 4.42 C ATOM 108 CD1 ILE A 6 -4.962 11.445 2.558 1.00 23.53 C ATOM 0 H ILE A 6 -0.606 11.976 2.579 1.00 64.21 H new ATOM 0 HA ILE A 6 -1.308 12.634 5.360 1.00 71.04 H new ATOM 0 HB ILE A 6 -3.576 11.684 5.092 1.00 3.42 H new ATOM 0 HG12 ILE A 6 -2.890 11.663 2.124 1.00 21.02 H new ATOM 0 HG13 ILE A 6 -3.275 10.280 3.129 1.00 21.02 H new ATOM 0 HG21 ILE A 6 -4.646 13.635 4.007 1.00 4.42 H new ATOM 0 HG22 ILE A 6 -3.329 14.117 5.102 1.00 4.42 H new ATOM 0 HG23 ILE A 6 -3.069 14.123 3.342 1.00 4.42 H new ATOM 0 HD11 ILE A 6 -5.140 10.846 1.665 1.00 23.53 H new ATOM 0 HD12 ILE A 6 -5.593 11.083 3.370 1.00 23.53 H new ATOM 0 HD13 ILE A 6 -5.202 12.488 2.349 1.00 23.53 H new ATOM 120 N HIS A 7 -0.863 10.173 5.900 1.00 52.32 N ATOM 121 CA HIS A 7 -0.513 8.785 6.245 1.00 11.22 C ATOM 122 C HIS A 7 -1.675 8.130 7.028 1.00 21.40 C ATOM 123 O HIS A 7 -2.053 8.591 8.114 1.00 2.44 O ATOM 124 CB HIS A 7 0.826 8.761 7.024 1.00 74.21 C ATOM 125 CG HIS A 7 0.850 9.570 8.295 1.00 73.34 C ATOM 126 ND1 HIS A 7 0.794 8.999 9.544 1.00 44.12 N ATOM 127 CD2 HIS A 7 0.927 10.909 8.504 1.00 62.24 C ATOM 128 CE1 HIS A 7 0.832 9.943 10.465 1.00 63.32 C ATOM 129 NE2 HIS A 7 0.916 11.107 9.862 1.00 41.40 N ATOM 0 H HIS A 7 -0.914 10.797 6.705 1.00 52.32 H new ATOM 0 HA HIS A 7 -0.367 8.196 5.339 1.00 11.22 H new ATOM 0 HB2 HIS A 7 1.066 7.726 7.268 1.00 74.21 H new ATOM 0 HB3 HIS A 7 1.616 9.125 6.367 1.00 74.21 H new ATOM 0 HD2 HIS A 7 0.986 11.675 7.744 1.00 62.24 H new ATOM 0 HE1 HIS A 7 0.800 9.786 11.533 1.00 63.32 H new ATOM 0 HE2 HIS A 7 0.965 12.013 10.328 1.00 41.40 H new ATOM 138 N LEU A 8 -2.266 7.072 6.443 1.00 65.14 N ATOM 139 CA LEU A 8 -3.446 6.394 7.007 1.00 21.21 C ATOM 140 C LEU A 8 -2.997 5.110 7.746 1.00 1.03 C ATOM 141 O LEU A 8 -2.497 4.169 7.117 1.00 5.51 O ATOM 142 CB LEU A 8 -4.474 6.023 5.888 1.00 20.44 C ATOM 143 CG LEU A 8 -5.072 7.188 5.022 1.00 55.45 C ATOM 144 CD1 LEU A 8 -5.587 8.350 5.894 1.00 11.21 C ATOM 145 CD2 LEU A 8 -4.083 7.676 3.938 1.00 31.42 C ATOM 0 H LEU A 8 -1.939 6.664 5.567 1.00 65.14 H new ATOM 0 HA LEU A 8 -3.933 7.075 7.704 1.00 21.21 H new ATOM 0 HB2 LEU A 8 -3.991 5.318 5.211 1.00 20.44 H new ATOM 0 HB3 LEU A 8 -5.304 5.496 6.358 1.00 20.44 H new ATOM 0 HG LEU A 8 -5.935 6.776 4.499 1.00 55.45 H new ATOM 0 HD11 LEU A 8 -5.992 9.134 5.254 1.00 11.21 H new ATOM 0 HD12 LEU A 8 -6.369 7.986 6.561 1.00 11.21 H new ATOM 0 HD13 LEU A 8 -4.765 8.753 6.485 1.00 11.21 H new ATOM 0 HD21 LEU A 8 -4.541 8.482 3.364 1.00 31.42 H new ATOM 0 HD22 LEU A 8 -3.173 8.041 4.414 1.00 31.42 H new ATOM 0 HD23 LEU A 8 -3.838 6.850 3.271 1.00 31.42 H new ATOM 157 N GLU A 9 -3.188 5.072 9.078 1.00 60.32 N ATOM 158 CA GLU A 9 -2.767 3.924 9.914 1.00 20.12 C ATOM 159 C GLU A 9 -3.922 2.915 10.108 1.00 33.00 C ATOM 160 O GLU A 9 -5.046 3.299 10.441 1.00 1.12 O ATOM 161 CB GLU A 9 -2.241 4.412 11.289 1.00 34.04 C ATOM 162 CG GLU A 9 -1.741 3.287 12.211 1.00 0.00 C ATOM 163 CD GLU A 9 -1.207 3.777 13.566 1.00 11.21 C ATOM 164 OE1 GLU A 9 -2.006 3.919 14.522 1.00 54.44 O ATOM 165 OE2 GLU A 9 0.018 4.028 13.684 1.00 15.45 O ATOM 0 H GLU A 9 -3.633 5.825 9.603 1.00 60.32 H new ATOM 0 HA GLU A 9 -1.958 3.414 9.391 1.00 20.12 H new ATOM 0 HB2 GLU A 9 -1.428 5.119 11.124 1.00 34.04 H new ATOM 0 HB3 GLU A 9 -3.037 4.956 11.797 1.00 34.04 H new ATOM 0 HG2 GLU A 9 -2.557 2.586 12.386 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.952 2.736 11.699 1.00 0.00 H new ATOM 172 N TYR A 10 -3.627 1.618 9.911 1.00 15.15 N ATOM 173 CA TYR A 10 -4.610 0.518 10.052 1.00 61.03 C ATOM 174 C TYR A 10 -4.109 -0.531 11.071 1.00 54.31 C ATOM 175 O TYR A 10 -2.912 -0.744 11.209 1.00 41.30 O ATOM 176 CB TYR A 10 -4.866 -0.138 8.668 1.00 33.40 C ATOM 177 CG TYR A 10 -5.321 0.863 7.589 1.00 60.54 C ATOM 178 CD1 TYR A 10 -6.518 1.576 7.731 1.00 10.14 C ATOM 179 CD2 TYR A 10 -4.560 1.106 6.441 1.00 25.13 C ATOM 180 CE1 TYR A 10 -6.933 2.484 6.771 1.00 54.31 C ATOM 181 CE2 TYR A 10 -4.974 2.012 5.480 1.00 62.44 C ATOM 182 CZ TYR A 10 -6.161 2.699 5.649 1.00 54.10 C ATOM 183 OH TYR A 10 -6.579 3.603 4.691 1.00 10.52 O ATOM 0 H TYR A 10 -2.695 1.297 9.648 1.00 15.15 H new ATOM 0 HA TYR A 10 -5.549 0.927 10.425 1.00 61.03 H new ATOM 0 HB2 TYR A 10 -3.953 -0.631 8.334 1.00 33.40 H new ATOM 0 HB3 TYR A 10 -5.625 -0.913 8.777 1.00 33.40 H new ATOM 0 HD1 TYR A 10 -7.130 1.415 8.606 1.00 10.14 H new ATOM 0 HD2 TYR A 10 -3.630 0.576 6.301 1.00 25.13 H new ATOM 0 HE1 TYR A 10 -7.860 3.023 6.901 1.00 54.31 H new ATOM 0 HE2 TYR A 10 -4.371 2.182 4.600 1.00 62.44 H new ATOM 0 HH TYR A 10 -5.921 3.638 3.965 1.00 10.52 H new ATOM 193 N LEU A 11 -5.038 -1.149 11.809 1.00 55.44 N ATOM 194 CA LEU A 11 -4.723 -2.210 12.804 1.00 20.42 C ATOM 195 C LEU A 11 -5.289 -3.573 12.337 1.00 53.12 C ATOM 196 O LEU A 11 -6.320 -3.607 11.668 1.00 74.13 O ATOM 197 CB LEU A 11 -5.340 -1.834 14.182 1.00 54.34 C ATOM 198 CG LEU A 11 -5.053 -0.383 14.698 1.00 50.32 C ATOM 199 CD1 LEU A 11 -5.847 -0.081 15.991 1.00 75.13 C ATOM 200 CD2 LEU A 11 -3.537 -0.140 14.893 1.00 23.23 C ATOM 0 H LEU A 11 -6.033 -0.936 11.742 1.00 55.44 H new ATOM 0 HA LEU A 11 -3.640 -2.292 12.898 1.00 20.42 H new ATOM 0 HB2 LEU A 11 -6.420 -1.968 14.121 1.00 54.34 H new ATOM 0 HB3 LEU A 11 -4.972 -2.541 14.926 1.00 54.34 H new ATOM 0 HG LEU A 11 -5.396 0.312 13.932 1.00 50.32 H new ATOM 0 HD11 LEU A 11 -5.627 0.933 16.325 1.00 75.13 H new ATOM 0 HD12 LEU A 11 -6.915 -0.174 15.792 1.00 75.13 H new ATOM 0 HD13 LEU A 11 -5.560 -0.789 16.768 1.00 75.13 H new ATOM 0 HD21 LEU A 11 -3.375 0.876 15.252 1.00 23.23 H new ATOM 0 HD22 LEU A 11 -3.146 -0.849 15.623 1.00 23.23 H new ATOM 0 HD23 LEU A 11 -3.021 -0.276 13.942 1.00 23.23 H new ATOM 212 N LEU A 12 -4.601 -4.688 12.665 1.00 0.33 N ATOM 213 CA LEU A 12 -5.154 -6.058 12.465 1.00 14.21 C ATOM 214 C LEU A 12 -4.691 -7.030 13.576 1.00 70.12 C ATOM 215 O LEU A 12 -3.677 -6.790 14.246 1.00 42.33 O ATOM 216 CB LEU A 12 -4.903 -6.625 11.006 1.00 4.12 C ATOM 217 CG LEU A 12 -3.448 -6.813 10.431 1.00 40.31 C ATOM 218 CD1 LEU A 12 -2.635 -5.517 10.458 1.00 11.23 C ATOM 219 CD2 LEU A 12 -2.698 -7.996 11.077 1.00 0.13 C ATOM 0 H LEU A 12 -3.664 -4.673 13.069 1.00 0.33 H new ATOM 0 HA LEU A 12 -6.237 -5.970 12.554 1.00 14.21 H new ATOM 0 HB2 LEU A 12 -5.390 -7.599 10.957 1.00 4.12 H new ATOM 0 HB3 LEU A 12 -5.433 -5.968 10.316 1.00 4.12 H new ATOM 0 HG LEU A 12 -3.572 -7.074 9.380 1.00 40.31 H new ATOM 0 HD11 LEU A 12 -1.641 -5.703 10.051 1.00 11.23 H new ATOM 0 HD12 LEU A 12 -3.138 -4.760 9.857 1.00 11.23 H new ATOM 0 HD13 LEU A 12 -2.546 -5.164 11.486 1.00 11.23 H new ATOM 0 HD21 LEU A 12 -1.702 -8.077 10.642 1.00 0.13 H new ATOM 0 HD22 LEU A 12 -2.612 -7.830 12.151 1.00 0.13 H new ATOM 0 HD23 LEU A 12 -3.249 -8.919 10.896 1.00 0.13 H new ATOM 231 N ASN A 13 -5.461 -8.122 13.751 1.00 14.44 N ATOM 232 CA ASN A 13 -5.240 -9.126 14.820 1.00 63.45 C ATOM 233 C ASN A 13 -3.959 -9.968 14.584 1.00 62.43 C ATOM 234 O ASN A 13 -3.474 -10.075 13.450 1.00 33.43 O ATOM 235 CB ASN A 13 -6.471 -10.061 14.919 1.00 71.15 C ATOM 236 CG ASN A 13 -7.780 -9.303 15.158 1.00 41.52 C ATOM 237 OD1 ASN A 13 -8.464 -8.911 14.218 1.00 63.44 O ATOM 238 ND2 ASN A 13 -8.122 -9.070 16.410 1.00 20.01 N ATOM 0 H ASN A 13 -6.259 -8.337 13.153 1.00 14.44 H new ATOM 0 HA ASN A 13 -5.104 -8.583 15.755 1.00 63.45 H new ATOM 0 HB2 ASN A 13 -6.556 -10.640 13.999 1.00 71.15 H new ATOM 0 HB3 ASN A 13 -6.316 -10.772 15.730 1.00 71.15 H new ATOM 0 HD21 ASN A 13 -8.975 -8.551 16.617 1.00 20.01 H new ATOM 0 HD22 ASN A 13 -7.533 -9.409 17.171 1.00 20.01 H new ATOM 280 N LYS A 17 0.545 -12.008 8.776 1.00 72.32 N ATOM 281 CA LYS A 17 1.977 -11.595 8.858 1.00 21.52 C ATOM 282 C LYS A 17 2.308 -10.442 7.874 1.00 10.44 C ATOM 283 O LYS A 17 1.431 -9.912 7.203 1.00 44.20 O ATOM 284 CB LYS A 17 2.922 -12.811 8.572 1.00 54.12 C ATOM 285 CG LYS A 17 2.817 -13.999 9.563 1.00 63.14 C ATOM 286 CD LYS A 17 1.588 -14.911 9.319 1.00 12.12 C ATOM 287 CE LYS A 17 1.497 -16.067 10.333 1.00 1.22 C ATOM 288 NZ LYS A 17 2.705 -16.937 10.311 1.00 50.32 N ATOM 0 HA LYS A 17 2.143 -11.234 9.873 1.00 21.52 H new ATOM 0 HB2 LYS A 17 2.712 -13.181 7.568 1.00 54.12 H new ATOM 0 HB3 LYS A 17 3.952 -12.454 8.571 1.00 54.12 H new ATOM 0 HG2 LYS A 17 3.723 -14.600 9.492 1.00 63.14 H new ATOM 0 HG3 LYS A 17 2.772 -13.609 10.580 1.00 63.14 H new ATOM 0 HD2 LYS A 17 0.679 -14.312 9.374 1.00 12.12 H new ATOM 0 HD3 LYS A 17 1.639 -15.321 8.310 1.00 12.12 H new ATOM 0 HE2 LYS A 17 1.365 -15.658 11.335 1.00 1.22 H new ATOM 0 HE3 LYS A 17 0.615 -16.669 10.115 1.00 1.22 H new ATOM 0 HZ1 LYS A 17 2.542 -17.773 10.908 1.00 50.32 H new ATOM 0 HZ2 LYS A 17 2.896 -17.241 9.335 1.00 50.32 H new ATOM 0 HZ3 LYS A 17 3.522 -16.406 10.675 1.00 50.32 H new ATOM 302 N ASN A 18 3.608 -10.082 7.804 1.00 51.03 N ATOM 303 CA ASN A 18 4.159 -9.095 6.829 1.00 42.02 C ATOM 304 C ASN A 18 3.887 -9.475 5.339 1.00 41.10 C ATOM 305 O ASN A 18 3.807 -8.616 4.449 1.00 72.41 O ATOM 306 CB ASN A 18 5.679 -8.916 7.076 1.00 30.12 C ATOM 307 CG ASN A 18 6.456 -10.232 7.073 1.00 20.23 C ATOM 308 OD1 ASN A 18 6.816 -10.754 6.032 1.00 61.24 O ATOM 309 ND2 ASN A 18 6.747 -10.754 8.248 1.00 75.24 N ATOM 0 H ASN A 18 4.318 -10.468 8.426 1.00 51.03 H new ATOM 0 HA ASN A 18 3.637 -8.153 6.998 1.00 42.02 H new ATOM 0 HB2 ASN A 18 6.089 -8.259 6.309 1.00 30.12 H new ATOM 0 HB3 ASN A 18 5.827 -8.418 8.034 1.00 30.12 H new ATOM 0 HD21 ASN A 18 7.287 -11.617 8.303 1.00 75.24 H new ATOM 0 HD22 ASN A 18 6.432 -10.294 9.102 1.00 75.24 H new ATOM 316 N ILE A 19 3.758 -10.782 5.117 1.00 42.21 N ATOM 317 CA ILE A 19 3.571 -11.431 3.794 1.00 5.24 C ATOM 318 C ILE A 19 2.318 -10.899 3.012 1.00 42.21 C ATOM 319 O ILE A 19 2.247 -11.049 1.784 1.00 63.44 O ATOM 320 CB ILE A 19 3.492 -12.989 4.046 1.00 42.24 C ATOM 321 CG1 ILE A 19 4.740 -13.457 4.886 1.00 71.32 C ATOM 322 CG2 ILE A 19 3.378 -13.804 2.730 1.00 42.21 C ATOM 323 CD1 ILE A 19 4.554 -14.753 5.646 1.00 70.04 C ATOM 0 H ILE A 19 3.780 -11.459 5.880 1.00 42.21 H new ATOM 0 HA ILE A 19 4.415 -11.185 3.149 1.00 5.24 H new ATOM 0 HB ILE A 19 2.579 -13.184 4.609 1.00 42.24 H new ATOM 0 HG12 ILE A 19 5.590 -13.567 4.213 1.00 71.32 H new ATOM 0 HG13 ILE A 19 4.996 -12.671 5.596 1.00 71.32 H new ATOM 0 HG21 ILE A 19 3.327 -14.867 2.964 1.00 42.21 H new ATOM 0 HG22 ILE A 19 2.476 -13.507 2.195 1.00 42.21 H new ATOM 0 HG23 ILE A 19 4.251 -13.611 2.106 1.00 42.21 H new ATOM 0 HD11 ILE A 19 5.468 -14.989 6.192 1.00 70.04 H new ATOM 0 HD12 ILE A 19 3.728 -14.647 6.349 1.00 70.04 H new ATOM 0 HD13 ILE A 19 4.332 -15.557 4.945 1.00 70.04 H new ATOM 335 N LEU A 20 1.364 -10.258 3.747 1.00 22.31 N ATOM 336 CA LEU A 20 0.147 -9.601 3.168 1.00 43.15 C ATOM 337 C LEU A 20 0.471 -8.705 1.939 1.00 51.03 C ATOM 338 O LEU A 20 0.046 -8.983 0.814 1.00 43.02 O ATOM 339 CB LEU A 20 -0.542 -8.705 4.248 1.00 74.42 C ATOM 340 CG LEU A 20 -1.151 -9.424 5.485 1.00 20.20 C ATOM 341 CD1 LEU A 20 -1.593 -8.394 6.559 1.00 45.24 C ATOM 342 CD2 LEU A 20 -2.317 -10.355 5.070 1.00 70.43 C ATOM 0 H LEU A 20 1.415 -10.180 4.763 1.00 22.31 H new ATOM 0 HA LEU A 20 -0.510 -10.408 2.843 1.00 43.15 H new ATOM 0 HB2 LEU A 20 0.191 -7.982 4.605 1.00 74.42 H new ATOM 0 HB3 LEU A 20 -1.336 -8.140 3.761 1.00 74.42 H new ATOM 0 HG LEU A 20 -0.378 -10.052 5.929 1.00 20.20 H new ATOM 0 HD11 LEU A 20 -2.016 -8.920 7.415 1.00 45.24 H new ATOM 0 HD12 LEU A 20 -0.730 -7.811 6.881 1.00 45.24 H new ATOM 0 HD13 LEU A 20 -2.344 -7.727 6.136 1.00 45.24 H new ATOM 0 HD21 LEU A 20 -2.724 -10.845 5.955 1.00 70.43 H new ATOM 0 HD22 LEU A 20 -3.099 -9.767 4.589 1.00 70.43 H new ATOM 0 HD23 LEU A 20 -1.950 -11.109 4.374 1.00 70.43 H new ATOM 354 N TRP A 21 1.256 -7.647 2.185 1.00 70.01 N ATOM 355 CA TRP A 21 1.610 -6.639 1.165 1.00 11.44 C ATOM 356 C TRP A 21 2.975 -6.926 0.517 1.00 25.13 C ATOM 357 O TRP A 21 3.264 -6.377 -0.535 1.00 13.12 O ATOM 358 CB TRP A 21 1.607 -5.226 1.789 1.00 20.21 C ATOM 359 CG TRP A 21 0.227 -4.645 2.047 1.00 42.24 C ATOM 360 CD1 TRP A 21 -0.512 -4.709 3.200 1.00 3.21 C ATOM 361 CD2 TRP A 21 -0.552 -3.862 1.122 1.00 33.01 C ATOM 362 NE1 TRP A 21 -1.683 -4.003 3.048 1.00 44.22 N ATOM 363 CE2 TRP A 21 -1.733 -3.481 1.781 1.00 42.12 C ATOM 364 CE3 TRP A 21 -0.352 -3.450 -0.202 1.00 51.41 C ATOM 365 CZ2 TRP A 21 -2.712 -2.697 1.165 1.00 12.01 C ATOM 366 CZ3 TRP A 21 -1.322 -2.676 -0.815 1.00 14.32 C ATOM 367 CH2 TRP A 21 -2.489 -2.306 -0.131 1.00 53.41 C ATOM 0 H TRP A 21 1.667 -7.462 3.100 1.00 70.01 H new ATOM 0 HA TRP A 21 0.856 -6.692 0.379 1.00 11.44 H new ATOM 0 HB2 TRP A 21 2.153 -5.259 2.732 1.00 20.21 H new ATOM 0 HB3 TRP A 21 2.152 -4.552 1.128 1.00 20.21 H new ATOM 0 HD1 TRP A 21 -0.218 -5.236 4.096 1.00 3.21 H new ATOM 0 HE1 TRP A 21 -2.400 -3.886 3.764 1.00 44.22 H new ATOM 0 HE3 TRP A 21 0.544 -3.732 -0.735 1.00 51.41 H new ATOM 0 HZ2 TRP A 21 -3.611 -2.409 1.690 1.00 12.01 H new ATOM 0 HZ3 TRP A 21 -1.178 -2.352 -1.835 1.00 14.32 H new ATOM 0 HH2 TRP A 21 -3.228 -1.701 -0.635 1.00 53.41 H new ATOM 378 N SER A 22 3.800 -7.798 1.135 1.00 72.44 N ATOM 379 CA SER A 22 5.143 -8.175 0.592 1.00 11.21 C ATOM 380 C SER A 22 5.062 -8.790 -0.840 1.00 21.13 C ATOM 381 O SER A 22 6.062 -8.843 -1.562 1.00 31.32 O ATOM 382 CB SER A 22 5.847 -9.158 1.556 1.00 21.30 C ATOM 383 OG SER A 22 7.145 -9.513 1.096 1.00 23.44 O ATOM 0 H SER A 22 3.567 -8.261 2.014 1.00 72.44 H new ATOM 0 HA SER A 22 5.726 -7.257 0.511 1.00 11.21 H new ATOM 0 HB2 SER A 22 5.923 -8.705 2.545 1.00 21.30 H new ATOM 0 HB3 SER A 22 5.241 -10.058 1.663 1.00 21.30 H new ATOM 0 HG SER A 22 7.559 -10.134 1.732 1.00 23.44 H new ATOM 389 N ALA A 23 3.857 -9.243 -1.225 1.00 12.05 N ATOM 390 CA ALA A 23 3.553 -9.760 -2.577 1.00 45.52 C ATOM 391 C ALA A 23 3.883 -8.750 -3.723 1.00 23.41 C ATOM 392 O ALA A 23 4.415 -9.140 -4.762 1.00 52.31 O ATOM 393 CB ALA A 23 2.072 -10.154 -2.624 1.00 63.23 C ATOM 0 H ALA A 23 3.052 -9.262 -0.599 1.00 12.05 H new ATOM 0 HA ALA A 23 4.195 -10.623 -2.752 1.00 45.52 H new ATOM 0 HB1 ALA A 23 1.829 -10.538 -3.615 1.00 63.23 H new ATOM 0 HB2 ALA A 23 1.877 -10.925 -1.878 1.00 63.23 H new ATOM 0 HB3 ALA A 23 1.456 -9.280 -2.413 1.00 63.23 H new ATOM 399 N ILE A 24 3.593 -7.452 -3.494 1.00 0.43 N ATOM 400 CA ILE A 24 3.726 -6.378 -4.522 1.00 60.53 C ATOM 401 C ILE A 24 5.191 -6.107 -4.955 1.00 51.44 C ATOM 402 O ILE A 24 5.429 -5.480 -5.990 1.00 13.51 O ATOM 403 CB ILE A 24 3.069 -5.031 -4.037 1.00 71.34 C ATOM 404 CG1 ILE A 24 3.857 -4.436 -2.820 1.00 41.14 C ATOM 405 CG2 ILE A 24 1.575 -5.248 -3.703 1.00 22.44 C ATOM 406 CD1 ILE A 24 3.179 -3.298 -2.078 1.00 72.22 C ATOM 0 H ILE A 24 3.259 -7.111 -2.593 1.00 0.43 H new ATOM 0 HA ILE A 24 3.193 -6.755 -5.395 1.00 60.53 H new ATOM 0 HB ILE A 24 3.124 -4.303 -4.846 1.00 71.34 H new ATOM 0 HG12 ILE A 24 4.052 -5.240 -2.111 1.00 41.14 H new ATOM 0 HG13 ILE A 24 4.825 -4.085 -3.177 1.00 41.14 H new ATOM 0 HG21 ILE A 24 1.136 -4.308 -3.370 1.00 22.44 H new ATOM 0 HG22 ILE A 24 1.050 -5.598 -4.592 1.00 22.44 H new ATOM 0 HG23 ILE A 24 1.483 -5.992 -2.912 1.00 22.44 H new ATOM 0 HD11 ILE A 24 3.816 -2.968 -1.258 1.00 72.22 H new ATOM 0 HD12 ILE A 24 3.009 -2.467 -2.763 1.00 72.22 H new ATOM 0 HD13 ILE A 24 2.224 -3.641 -1.680 1.00 72.22 H new ATOM 418 N SER A 25 6.155 -6.569 -4.150 1.00 63.12 N ATOM 419 CA SER A 25 7.593 -6.418 -4.455 1.00 61.44 C ATOM 420 C SER A 25 8.036 -7.407 -5.556 1.00 52.02 C ATOM 421 O SER A 25 8.920 -7.104 -6.366 1.00 3.10 O ATOM 422 CB SER A 25 8.420 -6.640 -3.176 1.00 53.14 C ATOM 423 OG SER A 25 8.417 -8.003 -2.778 1.00 53.22 O ATOM 0 H SER A 25 5.968 -7.056 -3.273 1.00 63.12 H new ATOM 0 HA SER A 25 7.763 -5.407 -4.825 1.00 61.44 H new ATOM 0 HB2 SER A 25 9.446 -6.313 -3.345 1.00 53.14 H new ATOM 0 HB3 SER A 25 8.017 -6.025 -2.371 1.00 53.14 H new ATOM 0 HG SER A 25 7.558 -8.220 -2.359 1.00 53.22 H new ATOM 429 N THR A 26 7.416 -8.604 -5.558 1.00 45.04 N ATOM 430 CA THR A 26 7.694 -9.661 -6.555 1.00 50.41 C ATOM 431 C THR A 26 6.651 -9.650 -7.698 1.00 65.02 C ATOM 432 O THR A 26 5.480 -9.345 -7.463 1.00 61.03 O ATOM 433 CB THR A 26 7.709 -11.090 -5.908 1.00 55.31 C ATOM 434 OG1 THR A 26 6.461 -11.361 -5.241 1.00 42.14 O ATOM 435 CG2 THR A 26 8.881 -11.263 -4.927 1.00 71.35 C ATOM 0 H THR A 26 6.710 -8.866 -4.871 1.00 45.04 H new ATOM 0 HA THR A 26 8.683 -9.441 -6.958 1.00 50.41 H new ATOM 0 HB THR A 26 7.843 -11.808 -6.717 1.00 55.31 H new ATOM 0 HG1 THR A 26 5.873 -10.580 -5.317 1.00 42.14 H new ATOM 0 HG21 THR A 26 8.854 -12.266 -4.502 1.00 71.35 H new ATOM 0 HG22 THR A 26 9.823 -11.118 -5.456 1.00 71.35 H new ATOM 0 HG23 THR A 26 8.798 -10.527 -4.127 1.00 71.35 H new ATOM 443 N PRO A 27 7.077 -9.983 -8.964 1.00 11.14 N ATOM 444 CA PRO A 27 6.161 -10.159 -10.130 1.00 51.42 C ATOM 445 C PRO A 27 5.038 -11.211 -9.873 1.00 33.23 C ATOM 446 O PRO A 27 3.849 -10.906 -10.015 1.00 20.14 O ATOM 447 CB PRO A 27 7.126 -10.620 -11.269 1.00 14.50 C ATOM 448 CG PRO A 27 8.359 -11.090 -10.555 1.00 23.42 C ATOM 449 CD PRO A 27 8.494 -10.172 -9.379 1.00 13.05 C ATOM 0 HA PRO A 27 5.613 -9.246 -10.362 1.00 51.42 H new ATOM 0 HB2 PRO A 27 6.684 -11.419 -11.864 1.00 14.50 H new ATOM 0 HB3 PRO A 27 7.352 -9.802 -11.953 1.00 14.50 H new ATOM 0 HG2 PRO A 27 8.261 -12.128 -10.237 1.00 23.42 H new ATOM 0 HG3 PRO A 27 9.235 -11.036 -11.201 1.00 23.42 H new ATOM 0 HD2 PRO A 27 9.096 -10.614 -8.585 1.00 13.05 H new ATOM 0 HD3 PRO A 27 8.968 -9.229 -9.651 1.00 13.05 H new ATOM 457 N THR A 28 5.447 -12.450 -9.505 1.00 1.03 N ATOM 458 CA THR A 28 4.525 -13.553 -9.127 1.00 4.44 C ATOM 459 C THR A 28 3.524 -13.167 -8.002 1.00 51.44 C ATOM 460 O THR A 28 2.334 -13.499 -8.087 1.00 31.45 O ATOM 461 CB THR A 28 5.319 -14.840 -8.700 1.00 75.12 C ATOM 462 OG1 THR A 28 4.410 -15.859 -8.237 1.00 45.11 O ATOM 463 CG2 THR A 28 6.380 -14.561 -7.609 1.00 35.41 C ATOM 0 H THR A 28 6.431 -12.715 -9.461 1.00 1.03 H new ATOM 0 HA THR A 28 3.942 -13.760 -10.024 1.00 4.44 H new ATOM 0 HB THR A 28 5.849 -15.184 -9.588 1.00 75.12 H new ATOM 0 HG1 THR A 28 4.917 -16.656 -7.976 1.00 45.11 H new ATOM 0 HG21 THR A 28 6.895 -15.488 -7.356 1.00 35.41 H new ATOM 0 HG22 THR A 28 7.102 -13.835 -7.981 1.00 35.41 H new ATOM 0 HG23 THR A 28 5.891 -14.163 -6.720 1.00 35.41 H new ATOM 471 N GLY A 29 4.008 -12.454 -6.968 1.00 33.33 N ATOM 472 CA GLY A 29 3.145 -12.018 -5.858 1.00 42.04 C ATOM 473 C GLY A 29 2.145 -10.930 -6.268 1.00 51.31 C ATOM 474 O GLY A 29 1.020 -10.890 -5.769 1.00 41.34 O ATOM 0 H GLY A 29 4.984 -12.170 -6.879 1.00 33.33 H new ATOM 0 HA2 GLY A 29 2.599 -12.878 -5.470 1.00 42.04 H new ATOM 0 HA3 GLY A 29 3.768 -11.643 -5.046 1.00 42.04 H new ATOM 478 N LEU A 30 2.576 -10.050 -7.178 1.00 22.33 N ATOM 479 CA LEU A 30 1.749 -8.942 -7.711 1.00 71.00 C ATOM 480 C LEU A 30 0.563 -9.481 -8.561 1.00 43.42 C ATOM 481 O LEU A 30 -0.585 -9.109 -8.324 1.00 32.30 O ATOM 482 CB LEU A 30 2.649 -7.952 -8.534 1.00 72.11 C ATOM 483 CG LEU A 30 2.722 -6.480 -8.029 1.00 72.52 C ATOM 484 CD1 LEU A 30 3.721 -5.647 -8.857 1.00 12.32 C ATOM 485 CD2 LEU A 30 1.336 -5.814 -7.991 1.00 53.43 C ATOM 0 H LEU A 30 3.516 -10.080 -7.574 1.00 22.33 H new ATOM 0 HA LEU A 30 1.315 -8.395 -6.874 1.00 71.00 H new ATOM 0 HB2 LEU A 30 3.662 -8.354 -8.557 1.00 72.11 H new ATOM 0 HB3 LEU A 30 2.288 -7.940 -9.562 1.00 72.11 H new ATOM 0 HG LEU A 30 3.090 -6.515 -7.004 1.00 72.52 H new ATOM 0 HD11 LEU A 30 3.746 -4.626 -8.477 1.00 12.32 H new ATOM 0 HD12 LEU A 30 4.715 -6.088 -8.779 1.00 12.32 H new ATOM 0 HD13 LEU A 30 3.409 -5.638 -9.901 1.00 12.32 H new ATOM 0 HD21 LEU A 30 1.434 -4.789 -7.633 1.00 53.43 H new ATOM 0 HD22 LEU A 30 0.907 -5.809 -8.993 1.00 53.43 H new ATOM 0 HD23 LEU A 30 0.683 -6.372 -7.320 1.00 53.43 H new ATOM 497 N GLU A 31 0.851 -10.401 -9.513 1.00 3.41 N ATOM 498 CA GLU A 31 -0.179 -10.968 -10.434 1.00 31.32 C ATOM 499 C GLU A 31 -1.196 -11.890 -9.723 1.00 32.25 C ATOM 500 O GLU A 31 -2.192 -12.299 -10.328 1.00 34.22 O ATOM 501 CB GLU A 31 0.487 -11.716 -11.619 1.00 2.33 C ATOM 502 CG GLU A 31 1.352 -12.927 -11.229 1.00 23.24 C ATOM 503 CD GLU A 31 2.042 -13.577 -12.438 1.00 62.23 C ATOM 504 OE1 GLU A 31 3.112 -13.087 -12.859 1.00 52.54 O ATOM 505 OE2 GLU A 31 1.510 -14.563 -12.995 1.00 62.01 O ATOM 0 H GLU A 31 1.789 -10.771 -9.668 1.00 3.41 H new ATOM 0 HA GLU A 31 -0.741 -10.116 -10.816 1.00 31.32 H new ATOM 0 HB2 GLU A 31 -0.295 -12.053 -12.300 1.00 2.33 H new ATOM 0 HB3 GLU A 31 1.107 -11.010 -12.170 1.00 2.33 H new ATOM 0 HG2 GLU A 31 2.108 -12.612 -10.510 1.00 23.24 H new ATOM 0 HG3 GLU A 31 0.728 -13.668 -10.730 1.00 23.24 H new ATOM 512 N ASP A 32 -0.935 -12.219 -8.448 1.00 33.20 N ATOM 513 CA ASP A 32 -1.886 -12.947 -7.591 1.00 33.11 C ATOM 514 C ASP A 32 -3.181 -12.112 -7.335 1.00 10.35 C ATOM 515 O ASP A 32 -4.284 -12.670 -7.254 1.00 62.44 O ATOM 516 CB ASP A 32 -1.176 -13.317 -6.262 1.00 4.22 C ATOM 517 CG ASP A 32 -2.111 -13.966 -5.226 1.00 62.40 C ATOM 518 OD1 ASP A 32 -2.544 -15.121 -5.439 1.00 10.02 O ATOM 519 OD2 ASP A 32 -2.428 -13.320 -4.204 1.00 10.33 O ATOM 0 H ASP A 32 -0.058 -11.988 -7.981 1.00 33.20 H new ATOM 0 HA ASP A 32 -2.203 -13.859 -8.097 1.00 33.11 H new ATOM 0 HB2 ASP A 32 -0.354 -14.000 -6.476 1.00 4.22 H new ATOM 0 HB3 ASP A 32 -0.738 -12.417 -5.831 1.00 4.22 H new ATOM 524 N TRP A 33 -3.038 -10.773 -7.249 1.00 11.20 N ATOM 525 CA TRP A 33 -4.155 -9.866 -6.865 1.00 10.34 C ATOM 526 C TRP A 33 -4.089 -8.477 -7.565 1.00 74.33 C ATOM 527 O TRP A 33 -4.805 -7.547 -7.176 1.00 23.04 O ATOM 528 CB TRP A 33 -4.197 -9.720 -5.315 1.00 73.31 C ATOM 529 CG TRP A 33 -2.970 -9.094 -4.669 1.00 60.22 C ATOM 530 CD1 TRP A 33 -1.654 -9.395 -4.899 1.00 51.12 C ATOM 531 CD2 TRP A 33 -2.967 -8.092 -3.640 1.00 64.23 C ATOM 532 NE1 TRP A 33 -0.843 -8.627 -4.107 1.00 14.33 N ATOM 533 CE2 TRP A 33 -1.624 -7.824 -3.318 1.00 53.34 C ATOM 534 CE3 TRP A 33 -3.975 -7.391 -2.974 1.00 12.21 C ATOM 535 CZ2 TRP A 33 -1.267 -6.885 -2.351 1.00 61.34 C ATOM 536 CZ3 TRP A 33 -3.621 -6.463 -2.013 1.00 52.12 C ATOM 537 CH2 TRP A 33 -2.276 -6.215 -1.709 1.00 43.13 C ATOM 0 H TRP A 33 -2.160 -10.289 -7.440 1.00 11.20 H new ATOM 0 HA TRP A 33 -5.082 -10.322 -7.213 1.00 10.34 H new ATOM 0 HB2 TRP A 33 -5.068 -9.120 -5.050 1.00 73.31 H new ATOM 0 HB3 TRP A 33 -4.347 -10.709 -4.881 1.00 73.31 H new ATOM 0 HD1 TRP A 33 -1.305 -10.134 -5.605 1.00 51.12 H new ATOM 0 HE1 TRP A 33 0.177 -8.649 -4.105 1.00 14.33 H new ATOM 0 HE3 TRP A 33 -5.014 -7.571 -3.206 1.00 12.21 H new ATOM 0 HZ2 TRP A 33 -0.231 -6.692 -2.116 1.00 61.34 H new ATOM 0 HZ3 TRP A 33 -4.393 -5.920 -1.488 1.00 52.12 H new ATOM 0 HH2 TRP A 33 -2.030 -5.482 -0.955 1.00 43.13 H new ATOM 548 N PHE A 34 -3.254 -8.362 -8.617 1.00 12.21 N ATOM 549 CA PHE A 34 -3.152 -7.137 -9.456 1.00 44.24 C ATOM 550 C PHE A 34 -2.642 -7.505 -10.870 1.00 11.03 C ATOM 551 O PHE A 34 -1.566 -8.090 -10.996 1.00 21.25 O ATOM 552 CB PHE A 34 -2.207 -6.087 -8.805 1.00 35.13 C ATOM 553 CG PHE A 34 -2.236 -4.709 -9.492 1.00 72.32 C ATOM 554 CD1 PHE A 34 -3.263 -3.800 -9.226 1.00 65.34 C ATOM 555 CD2 PHE A 34 -1.250 -4.327 -10.410 1.00 13.22 C ATOM 556 CE1 PHE A 34 -3.302 -2.563 -9.849 1.00 72.10 C ATOM 557 CE2 PHE A 34 -1.292 -3.090 -11.033 1.00 75.13 C ATOM 558 CZ PHE A 34 -2.316 -2.209 -10.750 1.00 71.24 C ATOM 0 H PHE A 34 -2.629 -9.111 -8.914 1.00 12.21 H new ATOM 0 HA PHE A 34 -4.146 -6.696 -9.534 1.00 44.24 H new ATOM 0 HB2 PHE A 34 -2.482 -5.965 -7.757 1.00 35.13 H new ATOM 0 HB3 PHE A 34 -1.187 -6.470 -8.824 1.00 35.13 H new ATOM 0 HD1 PHE A 34 -4.039 -4.066 -8.523 1.00 65.34 H new ATOM 0 HD2 PHE A 34 -0.443 -5.008 -10.636 1.00 13.22 H new ATOM 0 HE1 PHE A 34 -4.105 -1.874 -9.630 1.00 72.10 H new ATOM 0 HE2 PHE A 34 -0.523 -2.815 -11.740 1.00 75.13 H new ATOM 0 HZ PHE A 34 -2.347 -1.243 -11.233 1.00 71.24 H new ATOM 568 N ALA A 35 -3.430 -7.147 -11.913 1.00 35.33 N ATOM 569 CA ALA A 35 -3.146 -7.448 -13.350 1.00 41.25 C ATOM 570 C ALA A 35 -3.209 -8.964 -13.675 1.00 54.42 C ATOM 571 O ALA A 35 -3.031 -9.817 -12.797 1.00 12.32 O ATOM 572 CB ALA A 35 -1.815 -6.826 -13.822 1.00 72.13 C ATOM 0 H ALA A 35 -4.300 -6.630 -11.783 1.00 35.33 H new ATOM 0 HA ALA A 35 -3.949 -6.975 -13.916 1.00 41.25 H new ATOM 0 HB1 ALA A 35 -1.651 -7.071 -14.871 1.00 72.13 H new ATOM 0 HB2 ALA A 35 -1.858 -5.743 -13.705 1.00 72.13 H new ATOM 0 HB3 ALA A 35 -0.995 -7.224 -13.224 1.00 72.13 H new ATOM 578 N ASP A 36 -3.468 -9.287 -14.956 1.00 4.02 N ATOM 579 CA ASP A 36 -3.650 -10.686 -15.412 1.00 23.31 C ATOM 580 C ASP A 36 -2.327 -11.489 -15.352 1.00 23.14 C ATOM 581 O ASP A 36 -2.325 -12.665 -14.969 1.00 11.45 O ATOM 582 CB ASP A 36 -4.248 -10.702 -16.836 1.00 70.44 C ATOM 583 CG ASP A 36 -5.609 -9.993 -16.889 1.00 43.12 C ATOM 584 OD1 ASP A 36 -6.619 -10.588 -16.469 1.00 52.32 O ATOM 585 OD2 ASP A 36 -5.668 -8.823 -17.305 1.00 42.51 O ATOM 0 H ASP A 36 -3.557 -8.596 -15.701 1.00 4.02 H new ATOM 0 HA ASP A 36 -4.347 -11.176 -14.732 1.00 23.31 H new ATOM 0 HB2 ASP A 36 -3.558 -10.217 -17.526 1.00 70.44 H new ATOM 0 HB3 ASP A 36 -4.361 -11.733 -17.171 1.00 70.44 H new ATOM 590 N LYS A 37 -1.211 -10.836 -15.720 1.00 41.01 N ATOM 591 CA LYS A 37 0.144 -11.424 -15.621 1.00 73.30 C ATOM 592 C LYS A 37 1.169 -10.280 -15.446 1.00 5.11 C ATOM 593 O LYS A 37 1.164 -9.325 -16.212 1.00 14.32 O ATOM 594 CB LYS A 37 0.448 -12.284 -16.894 1.00 30.02 C ATOM 595 CG LYS A 37 1.412 -13.483 -16.696 1.00 34.43 C ATOM 596 CD LYS A 37 2.875 -13.082 -16.398 1.00 40.14 C ATOM 597 CE LYS A 37 3.810 -14.299 -16.247 1.00 54.21 C ATOM 598 NZ LYS A 37 3.408 -15.182 -15.121 1.00 72.54 N ATOM 0 H LYS A 37 -1.219 -9.887 -16.094 1.00 41.01 H new ATOM 0 HA LYS A 37 0.209 -12.086 -14.758 1.00 73.30 H new ATOM 0 HB2 LYS A 37 -0.496 -12.664 -17.284 1.00 30.02 H new ATOM 0 HB3 LYS A 37 0.868 -11.629 -17.658 1.00 30.02 H new ATOM 0 HG2 LYS A 37 1.043 -14.099 -15.876 1.00 34.43 H new ATOM 0 HG3 LYS A 37 1.393 -14.101 -17.593 1.00 34.43 H new ATOM 0 HD2 LYS A 37 3.243 -12.445 -17.202 1.00 40.14 H new ATOM 0 HD3 LYS A 37 2.905 -12.491 -15.483 1.00 40.14 H new ATOM 0 HE2 LYS A 37 3.809 -14.873 -17.174 1.00 54.21 H new ATOM 0 HE3 LYS A 37 4.831 -13.953 -16.088 1.00 54.21 H new ATOM 0 HZ1 LYS A 37 4.218 -15.323 -14.484 1.00 72.54 H new ATOM 0 HZ2 LYS A 37 2.627 -14.740 -14.595 1.00 72.54 H new ATOM 0 HZ3 LYS A 37 3.097 -16.101 -15.495 1.00 72.54 H new ATOM 612 N VAL A 38 2.046 -10.384 -14.438 1.00 52.11 N ATOM 613 CA VAL A 38 3.044 -9.334 -14.124 1.00 11.30 C ATOM 614 C VAL A 38 4.482 -9.866 -14.348 1.00 61.13 C ATOM 615 O VAL A 38 4.949 -10.733 -13.614 1.00 64.00 O ATOM 616 CB VAL A 38 2.862 -8.812 -12.645 1.00 0.42 C ATOM 617 CG1 VAL A 38 3.985 -7.842 -12.238 1.00 75.14 C ATOM 618 CG2 VAL A 38 1.474 -8.148 -12.446 1.00 1.32 C ATOM 0 H VAL A 38 2.090 -11.191 -13.816 1.00 52.11 H new ATOM 0 HA VAL A 38 2.882 -8.494 -14.800 1.00 11.30 H new ATOM 0 HB VAL A 38 2.921 -9.684 -11.993 1.00 0.42 H new ATOM 0 HG11 VAL A 38 3.822 -7.506 -11.214 1.00 75.14 H new ATOM 0 HG12 VAL A 38 4.947 -8.350 -12.305 1.00 75.14 H new ATOM 0 HG13 VAL A 38 3.982 -6.981 -12.907 1.00 75.14 H new ATOM 0 HG21 VAL A 38 1.381 -7.800 -11.417 1.00 1.32 H new ATOM 0 HG22 VAL A 38 1.375 -7.302 -13.126 1.00 1.32 H new ATOM 0 HG23 VAL A 38 0.689 -8.875 -12.655 1.00 1.32 H new ATOM 628 N VAL A 39 5.159 -9.360 -15.394 1.00 11.14 N ATOM 629 CA VAL A 39 6.575 -9.698 -15.691 1.00 43.45 C ATOM 630 C VAL A 39 7.507 -8.520 -15.303 1.00 30.41 C ATOM 631 O VAL A 39 7.395 -7.429 -15.863 1.00 3.12 O ATOM 632 CB VAL A 39 6.780 -10.037 -17.218 1.00 3.44 C ATOM 633 CG1 VAL A 39 8.224 -10.545 -17.500 1.00 51.32 C ATOM 634 CG2 VAL A 39 5.723 -11.049 -17.720 1.00 35.23 C ATOM 0 H VAL A 39 4.747 -8.706 -16.060 1.00 11.14 H new ATOM 0 HA VAL A 39 6.829 -10.578 -15.100 1.00 43.45 H new ATOM 0 HB VAL A 39 6.642 -9.111 -17.777 1.00 3.44 H new ATOM 0 HG11 VAL A 39 8.330 -10.769 -18.561 1.00 51.32 H new ATOM 0 HG12 VAL A 39 8.942 -9.775 -17.218 1.00 51.32 H new ATOM 0 HG13 VAL A 39 8.412 -11.447 -16.918 1.00 51.32 H new ATOM 0 HG21 VAL A 39 5.894 -11.260 -18.776 1.00 35.23 H new ATOM 0 HG22 VAL A 39 5.803 -11.973 -17.148 1.00 35.23 H new ATOM 0 HG23 VAL A 39 4.726 -10.628 -17.591 1.00 35.23 H new ATOM 644 N SER A 40 8.429 -8.752 -14.357 1.00 40.22 N ATOM 645 CA SER A 40 9.434 -7.741 -13.948 1.00 73.33 C ATOM 646 C SER A 40 10.664 -7.762 -14.892 1.00 74.10 C ATOM 647 O SER A 40 11.171 -8.830 -15.252 1.00 22.31 O ATOM 648 CB SER A 40 9.894 -7.990 -12.494 1.00 20.24 C ATOM 649 OG SER A 40 10.527 -9.253 -12.359 1.00 15.11 O ATOM 0 H SER A 40 8.505 -9.636 -13.853 1.00 40.22 H new ATOM 0 HA SER A 40 8.961 -6.761 -14.013 1.00 73.33 H new ATOM 0 HB2 SER A 40 10.583 -7.202 -12.189 1.00 20.24 H new ATOM 0 HB3 SER A 40 9.035 -7.939 -11.825 1.00 20.24 H new ATOM 0 HG SER A 40 10.808 -9.380 -11.429 1.00 15.11 H new ATOM 655 N ASP A 41 11.126 -6.562 -15.278 1.00 4.13 N ATOM 656 CA ASP A 41 12.360 -6.347 -16.080 1.00 60.55 C ATOM 657 C ASP A 41 13.625 -6.264 -15.168 1.00 5.31 C ATOM 658 O ASP A 41 14.728 -6.008 -15.671 1.00 21.34 O ATOM 659 CB ASP A 41 12.229 -5.019 -16.892 1.00 13.04 C ATOM 660 CG ASP A 41 10.880 -4.872 -17.621 1.00 10.20 C ATOM 661 OD1 ASP A 41 9.859 -4.599 -16.945 1.00 22.23 O ATOM 662 OD2 ASP A 41 10.824 -5.030 -18.860 1.00 12.23 O ATOM 0 H ASP A 41 10.649 -5.692 -15.041 1.00 4.13 H new ATOM 0 HA ASP A 41 12.476 -7.195 -16.755 1.00 60.55 H new ATOM 0 HB2 ASP A 41 12.361 -4.175 -16.215 1.00 13.04 H new ATOM 0 HB3 ASP A 41 13.035 -4.969 -17.624 1.00 13.04 H new ATOM 667 N ASP A 42 13.433 -6.521 -13.843 1.00 30.35 N ATOM 668 CA ASP A 42 14.392 -6.196 -12.747 1.00 25.10 C ATOM 669 C ASP A 42 14.441 -4.654 -12.536 1.00 70.30 C ATOM 670 O ASP A 42 14.823 -3.914 -13.449 1.00 44.32 O ATOM 671 CB ASP A 42 15.814 -6.791 -12.972 1.00 34.31 C ATOM 672 CG ASP A 42 16.763 -6.528 -11.791 1.00 13.23 C ATOM 673 OD1 ASP A 42 16.621 -7.202 -10.746 1.00 21.20 O ATOM 674 OD2 ASP A 42 17.645 -5.640 -11.893 1.00 51.54 O ATOM 0 H ASP A 42 12.585 -6.972 -13.499 1.00 30.35 H new ATOM 0 HA ASP A 42 14.024 -6.673 -11.839 1.00 25.10 H new ATOM 0 HB2 ASP A 42 15.732 -7.866 -13.134 1.00 34.31 H new ATOM 0 HB3 ASP A 42 16.242 -6.364 -13.879 1.00 34.31 H new ATOM 679 N LYS A 43 14.035 -4.203 -11.320 1.00 51.12 N ATOM 680 CA LYS A 43 13.796 -2.769 -10.950 1.00 63.51 C ATOM 681 C LYS A 43 12.489 -2.213 -11.581 1.00 14.22 C ATOM 682 O LYS A 43 11.691 -1.570 -10.900 1.00 31.40 O ATOM 683 CB LYS A 43 15.000 -1.833 -11.272 1.00 63.22 C ATOM 684 CG LYS A 43 16.314 -2.189 -10.545 1.00 44.43 C ATOM 685 CD LYS A 43 17.444 -1.188 -10.863 1.00 21.14 C ATOM 686 CE LYS A 43 18.755 -1.512 -10.135 1.00 12.41 C ATOM 687 NZ LYS A 43 19.795 -0.495 -10.411 1.00 23.33 N ATOM 0 H LYS A 43 13.858 -4.840 -10.543 1.00 51.12 H new ATOM 0 HA LYS A 43 13.681 -2.772 -9.866 1.00 63.51 H new ATOM 0 HB2 LYS A 43 15.180 -1.854 -12.347 1.00 63.22 H new ATOM 0 HB3 LYS A 43 14.725 -0.810 -11.014 1.00 63.22 H new ATOM 0 HG2 LYS A 43 16.139 -2.207 -9.469 1.00 44.43 H new ATOM 0 HG3 LYS A 43 16.627 -3.192 -10.834 1.00 44.43 H new ATOM 0 HD2 LYS A 43 17.624 -1.181 -11.938 1.00 21.14 H new ATOM 0 HD3 LYS A 43 17.121 -0.184 -10.588 1.00 21.14 H new ATOM 0 HE2 LYS A 43 18.573 -1.565 -9.062 1.00 12.41 H new ATOM 0 HE3 LYS A 43 19.113 -2.493 -10.447 1.00 12.41 H new ATOM 0 HZ1 LYS A 43 20.668 -0.745 -9.904 1.00 23.33 H new ATOM 0 HZ2 LYS A 43 19.986 -0.462 -11.433 1.00 23.33 H new ATOM 0 HZ3 LYS A 43 19.463 0.437 -10.091 1.00 23.33 H new ATOM 701 N THR A 44 12.294 -2.451 -12.886 1.00 2.53 N ATOM 702 CA THR A 44 11.036 -2.116 -13.599 1.00 12.44 C ATOM 703 C THR A 44 10.068 -3.322 -13.545 1.00 72.31 C ATOM 704 O THR A 44 10.505 -4.476 -13.518 1.00 60.44 O ATOM 705 CB THR A 44 11.323 -1.722 -15.092 1.00 41.21 C ATOM 706 OG1 THR A 44 12.233 -0.610 -15.132 1.00 60.43 O ATOM 707 CG2 THR A 44 10.047 -1.358 -15.876 1.00 73.01 C ATOM 0 H THR A 44 12.999 -2.881 -13.484 1.00 2.53 H new ATOM 0 HA THR A 44 10.577 -1.260 -13.105 1.00 12.44 H new ATOM 0 HB THR A 44 11.759 -2.599 -15.570 1.00 41.21 H new ATOM 0 HG1 THR A 44 12.412 -0.367 -16.064 1.00 60.43 H new ATOM 0 HG21 THR A 44 10.312 -1.095 -16.900 1.00 73.01 H new ATOM 0 HG22 THR A 44 9.369 -2.211 -15.884 1.00 73.01 H new ATOM 0 HG23 THR A 44 9.556 -0.510 -15.399 1.00 73.01 H new ATOM 715 N VAL A 45 8.760 -3.035 -13.485 1.00 53.34 N ATOM 716 CA VAL A 45 7.692 -4.052 -13.415 1.00 63.12 C ATOM 717 C VAL A 45 6.612 -3.778 -14.499 1.00 13.34 C ATOM 718 O VAL A 45 5.914 -2.760 -14.443 1.00 11.21 O ATOM 719 CB VAL A 45 7.043 -4.061 -11.973 1.00 41.33 C ATOM 720 CG1 VAL A 45 5.817 -4.983 -11.912 1.00 22.22 C ATOM 721 CG2 VAL A 45 8.075 -4.468 -10.888 1.00 60.45 C ATOM 0 H VAL A 45 8.406 -2.079 -13.483 1.00 53.34 H new ATOM 0 HA VAL A 45 8.128 -5.033 -13.606 1.00 63.12 H new ATOM 0 HB VAL A 45 6.714 -3.042 -11.767 1.00 41.33 H new ATOM 0 HG11 VAL A 45 5.397 -4.964 -10.906 1.00 22.22 H new ATOM 0 HG12 VAL A 45 5.067 -4.639 -12.625 1.00 22.22 H new ATOM 0 HG13 VAL A 45 6.115 -6.001 -12.162 1.00 22.22 H new ATOM 0 HG21 VAL A 45 7.595 -4.464 -9.909 1.00 60.45 H new ATOM 0 HG22 VAL A 45 8.453 -5.468 -11.102 1.00 60.45 H new ATOM 0 HG23 VAL A 45 8.903 -3.759 -10.889 1.00 60.45 H new ATOM 731 N THR A 46 6.487 -4.689 -15.483 1.00 72.51 N ATOM 732 CA THR A 46 5.475 -4.588 -16.567 1.00 45.02 C ATOM 733 C THR A 46 4.205 -5.394 -16.207 1.00 61.14 C ATOM 734 O THR A 46 4.235 -6.630 -16.134 1.00 60.44 O ATOM 735 CB THR A 46 6.029 -5.103 -17.941 1.00 71.32 C ATOM 736 OG1 THR A 46 7.274 -4.459 -18.230 1.00 21.42 O ATOM 737 CG2 THR A 46 5.054 -4.827 -19.101 1.00 35.25 C ATOM 0 H THR A 46 7.080 -5.516 -15.554 1.00 72.51 H new ATOM 0 HA THR A 46 5.230 -3.531 -16.666 1.00 45.02 H new ATOM 0 HB THR A 46 6.160 -6.181 -17.852 1.00 71.32 H new ATOM 0 HG1 THR A 46 7.944 -4.730 -17.568 1.00 21.42 H new ATOM 0 HG21 THR A 46 5.481 -5.201 -20.032 1.00 35.25 H new ATOM 0 HG22 THR A 46 4.107 -5.331 -18.908 1.00 35.25 H new ATOM 0 HG23 THR A 46 4.884 -3.754 -19.186 1.00 35.25 H new ATOM 745 N PHE A 47 3.095 -4.682 -15.978 1.00 43.12 N ATOM 746 CA PHE A 47 1.769 -5.289 -15.739 1.00 14.32 C ATOM 747 C PHE A 47 1.077 -5.520 -17.093 1.00 32.32 C ATOM 748 O PHE A 47 0.939 -4.582 -17.882 1.00 42.54 O ATOM 749 CB PHE A 47 0.880 -4.357 -14.876 1.00 41.54 C ATOM 750 CG PHE A 47 1.624 -3.611 -13.785 1.00 22.25 C ATOM 751 CD1 PHE A 47 1.838 -4.183 -12.539 1.00 44.03 C ATOM 752 CD2 PHE A 47 2.111 -2.328 -14.020 1.00 4.33 C ATOM 753 CE1 PHE A 47 2.511 -3.487 -11.553 1.00 2.10 C ATOM 754 CE2 PHE A 47 2.785 -1.636 -13.044 1.00 71.24 C ATOM 755 CZ PHE A 47 2.989 -2.215 -11.804 1.00 45.44 C ATOM 0 H PHE A 47 3.086 -3.662 -15.952 1.00 43.12 H new ATOM 0 HA PHE A 47 1.907 -6.231 -15.208 1.00 14.32 H new ATOM 0 HB2 PHE A 47 0.395 -3.631 -15.529 1.00 41.54 H new ATOM 0 HB3 PHE A 47 0.090 -4.952 -14.418 1.00 41.54 H new ATOM 0 HD1 PHE A 47 1.476 -5.180 -12.338 1.00 44.03 H new ATOM 0 HD2 PHE A 47 1.956 -1.870 -14.986 1.00 4.33 H new ATOM 0 HE1 PHE A 47 2.664 -3.938 -10.584 1.00 2.10 H new ATOM 0 HE2 PHE A 47 3.155 -0.641 -13.244 1.00 71.24 H new ATOM 0 HZ PHE A 47 3.520 -1.674 -11.035 1.00 45.44 H new ATOM 765 N CYS A 48 0.639 -6.750 -17.345 1.00 43.14 N ATOM 766 CA CYS A 48 -0.019 -7.134 -18.614 1.00 64.24 C ATOM 767 C CYS A 48 -1.522 -7.396 -18.383 1.00 51.20 C ATOM 768 O CYS A 48 -1.903 -8.151 -17.475 1.00 31.43 O ATOM 769 CB CYS A 48 0.671 -8.383 -19.209 1.00 52.24 C ATOM 770 SG CYS A 48 2.452 -8.178 -19.472 1.00 73.23 S ATOM 0 H CYS A 48 0.725 -7.519 -16.680 1.00 43.14 H new ATOM 0 HA CYS A 48 0.076 -6.313 -19.325 1.00 64.24 H new ATOM 0 HB2 CYS A 48 0.507 -9.230 -18.543 1.00 52.24 H new ATOM 0 HB3 CYS A 48 0.199 -8.629 -20.160 1.00 52.24 H new ATOM 0 HG CYS A 48 2.946 -9.273 -19.970 1.00 73.23 H new ATOM 776 N TRP A 49 -2.357 -6.763 -19.221 1.00 32.51 N ATOM 777 CA TRP A 49 -3.828 -6.866 -19.180 1.00 64.35 C ATOM 778 C TRP A 49 -4.362 -7.409 -20.521 1.00 54.22 C ATOM 779 O TRP A 49 -4.096 -6.829 -21.582 1.00 54.02 O ATOM 780 CB TRP A 49 -4.469 -5.486 -18.867 1.00 4.21 C ATOM 781 CG TRP A 49 -4.248 -5.019 -17.445 1.00 73.14 C ATOM 782 CD1 TRP A 49 -4.887 -5.483 -16.329 1.00 74.54 C ATOM 783 CD2 TRP A 49 -3.343 -3.998 -16.991 1.00 52.55 C ATOM 784 NE1 TRP A 49 -4.448 -4.810 -15.223 1.00 41.11 N ATOM 785 CE2 TRP A 49 -3.502 -3.895 -15.597 1.00 0.33 C ATOM 786 CE3 TRP A 49 -2.425 -3.157 -17.625 1.00 22.41 C ATOM 787 CZ2 TRP A 49 -2.775 -2.997 -14.824 1.00 75.25 C ATOM 788 CZ3 TRP A 49 -1.698 -2.265 -16.857 1.00 43.25 C ATOM 789 CH2 TRP A 49 -1.880 -2.187 -15.470 1.00 31.31 C ATOM 0 H TRP A 49 -2.022 -6.150 -19.965 1.00 32.51 H new ATOM 0 HA TRP A 49 -4.101 -7.559 -18.384 1.00 64.35 H new ATOM 0 HB2 TRP A 49 -4.061 -4.742 -19.551 1.00 4.21 H new ATOM 0 HB3 TRP A 49 -5.541 -5.542 -19.059 1.00 4.21 H new ATOM 0 HD1 TRP A 49 -5.630 -6.267 -16.322 1.00 74.54 H new ATOM 0 HE1 TRP A 49 -4.774 -4.965 -14.269 1.00 41.11 H new ATOM 0 HE3 TRP A 49 -2.285 -3.202 -18.695 1.00 22.41 H new ATOM 0 HZ2 TRP A 49 -2.911 -2.940 -13.754 1.00 75.25 H new ATOM 0 HZ3 TRP A 49 -0.978 -1.618 -17.335 1.00 43.25 H new ATOM 0 HH2 TRP A 49 -1.303 -1.474 -14.899 1.00 31.31 H new ATOM 800 N GLY A 50 -5.097 -8.535 -20.448 1.00 35.41 N ATOM 801 CA GLY A 50 -5.700 -9.172 -21.625 1.00 2.52 C ATOM 802 C GLY A 50 -4.684 -9.699 -22.652 1.00 45.41 C ATOM 803 O GLY A 50 -4.157 -10.808 -22.506 1.00 1.33 O ATOM 0 H GLY A 50 -5.287 -9.024 -19.573 1.00 35.41 H new ATOM 0 HA2 GLY A 50 -6.327 -10.000 -21.294 1.00 2.52 H new ATOM 0 HA3 GLY A 50 -6.356 -8.453 -22.116 1.00 2.52 H new ATOM 807 N LYS A 51 -4.413 -8.890 -23.696 1.00 44.11 N ATOM 808 CA LYS A 51 -3.592 -9.303 -24.857 1.00 63.01 C ATOM 809 C LYS A 51 -2.328 -8.416 -24.991 1.00 1.02 C ATOM 810 O LYS A 51 -1.201 -8.879 -24.760 1.00 75.44 O ATOM 811 CB LYS A 51 -4.424 -9.244 -26.186 1.00 42.43 C ATOM 812 CG LYS A 51 -5.728 -10.092 -26.212 1.00 51.42 C ATOM 813 CD LYS A 51 -6.916 -9.429 -25.464 1.00 62.20 C ATOM 814 CE LYS A 51 -8.172 -10.317 -25.432 1.00 71.32 C ATOM 815 NZ LYS A 51 -8.725 -10.572 -26.791 1.00 24.23 N ATOM 0 H LYS A 51 -4.756 -7.932 -23.760 1.00 44.11 H new ATOM 0 HA LYS A 51 -3.280 -10.333 -24.684 1.00 63.01 H new ATOM 0 HB2 LYS A 51 -4.686 -8.204 -26.381 1.00 42.43 H new ATOM 0 HB3 LYS A 51 -3.785 -9.571 -27.006 1.00 42.43 H new ATOM 0 HG2 LYS A 51 -6.016 -10.269 -27.248 1.00 51.42 H new ATOM 0 HG3 LYS A 51 -5.527 -11.066 -25.766 1.00 51.42 H new ATOM 0 HD2 LYS A 51 -6.613 -9.199 -24.442 1.00 62.20 H new ATOM 0 HD3 LYS A 51 -7.159 -8.482 -25.945 1.00 62.20 H new ATOM 0 HE2 LYS A 51 -7.929 -11.268 -24.958 1.00 71.32 H new ATOM 0 HE3 LYS A 51 -8.935 -9.840 -24.817 1.00 71.32 H new ATOM 0 HZ1 LYS A 51 -9.579 -11.160 -26.713 1.00 24.23 H new ATOM 0 HZ2 LYS A 51 -8.968 -9.667 -27.242 1.00 24.23 H new ATOM 0 HZ3 LYS A 51 -8.015 -11.067 -27.367 1.00 24.23 H new ATOM 829 N THR A 52 -2.537 -7.131 -25.356 1.00 22.14 N ATOM 830 CA THR A 52 -1.438 -6.190 -25.720 1.00 73.31 C ATOM 831 C THR A 52 -1.289 -5.014 -24.723 1.00 64.23 C ATOM 832 O THR A 52 -0.334 -4.239 -24.831 1.00 51.44 O ATOM 833 CB THR A 52 -1.658 -5.594 -27.157 1.00 1.41 C ATOM 834 OG1 THR A 52 -2.911 -4.885 -27.207 1.00 64.34 O ATOM 835 CG2 THR A 52 -1.641 -6.680 -28.250 1.00 3.05 C ATOM 0 H THR A 52 -3.466 -6.712 -25.408 1.00 22.14 H new ATOM 0 HA THR A 52 -0.525 -6.784 -25.688 1.00 73.31 H new ATOM 0 HB THR A 52 -0.830 -4.912 -27.353 1.00 1.41 H new ATOM 0 HG1 THR A 52 -3.042 -4.514 -28.105 1.00 64.34 H new ATOM 0 HG21 THR A 52 -1.797 -6.218 -29.225 1.00 3.05 H new ATOM 0 HG22 THR A 52 -0.678 -7.191 -28.241 1.00 3.05 H new ATOM 0 HG23 THR A 52 -2.436 -7.401 -28.059 1.00 3.05 H new ATOM 843 N GLU A 53 -2.227 -4.876 -23.764 1.00 45.01 N ATOM 844 CA GLU A 53 -2.257 -3.716 -22.836 1.00 71.30 C ATOM 845 C GLU A 53 -1.253 -3.882 -21.673 1.00 73.15 C ATOM 846 O GLU A 53 -1.593 -4.373 -20.597 1.00 14.52 O ATOM 847 CB GLU A 53 -3.690 -3.464 -22.295 1.00 13.32 C ATOM 848 CG GLU A 53 -4.673 -2.878 -23.327 1.00 61.03 C ATOM 849 CD GLU A 53 -6.019 -2.480 -22.706 1.00 12.31 C ATOM 850 OE1 GLU A 53 -6.056 -1.477 -21.952 1.00 33.14 O ATOM 851 OE2 GLU A 53 -7.042 -3.149 -22.974 1.00 21.05 O ATOM 0 H GLU A 53 -2.976 -5.551 -23.608 1.00 45.01 H new ATOM 0 HA GLU A 53 -1.952 -2.841 -23.410 1.00 71.30 H new ATOM 0 HB2 GLU A 53 -4.094 -4.405 -21.922 1.00 13.32 H new ATOM 0 HB3 GLU A 53 -3.629 -2.784 -21.445 1.00 13.32 H new ATOM 0 HG2 GLU A 53 -4.222 -2.004 -23.796 1.00 61.03 H new ATOM 0 HG3 GLU A 53 -4.844 -3.611 -24.116 1.00 61.03 H new ATOM 858 N GLN A 54 -0.010 -3.454 -21.909 1.00 21.15 N ATOM 859 CA GLN A 54 1.099 -3.614 -20.951 1.00 21.50 C ATOM 860 C GLN A 54 1.722 -2.238 -20.583 1.00 3.22 C ATOM 861 O GLN A 54 2.168 -1.486 -21.454 1.00 73.41 O ATOM 862 CB GLN A 54 2.151 -4.599 -21.542 1.00 12.31 C ATOM 863 CG GLN A 54 2.802 -4.158 -22.880 1.00 10.04 C ATOM 864 CD GLN A 54 3.896 -5.102 -23.409 1.00 53.21 C ATOM 865 OE1 GLN A 54 4.853 -4.662 -24.041 1.00 31.15 O ATOM 866 NE2 GLN A 54 3.757 -6.400 -23.195 1.00 15.24 N ATOM 0 H GLN A 54 0.262 -2.984 -22.773 1.00 21.15 H new ATOM 0 HA GLN A 54 0.719 -4.038 -20.021 1.00 21.50 H new ATOM 0 HB2 GLN A 54 2.941 -4.745 -20.805 1.00 12.31 H new ATOM 0 HB3 GLN A 54 1.672 -5.567 -21.693 1.00 12.31 H new ATOM 0 HG2 GLN A 54 2.021 -4.070 -23.636 1.00 10.04 H new ATOM 0 HG3 GLN A 54 3.232 -3.165 -22.749 1.00 10.04 H new ATOM 0 HE21 GLN A 54 2.956 -6.747 -22.668 1.00 15.24 H new ATOM 0 HE22 GLN A 54 4.451 -7.054 -23.557 1.00 15.24 H new ATOM 875 N ARG A 55 1.693 -1.893 -19.274 1.00 24.32 N ATOM 876 CA ARG A 55 2.264 -0.628 -18.741 1.00 62.03 C ATOM 877 C ARG A 55 3.309 -0.969 -17.660 1.00 52.41 C ATOM 878 O ARG A 55 3.224 -2.020 -17.026 1.00 51.52 O ATOM 879 CB ARG A 55 1.166 0.320 -18.152 1.00 23.50 C ATOM 880 CG ARG A 55 0.155 0.913 -19.182 1.00 72.14 C ATOM 881 CD ARG A 55 -0.921 -0.090 -19.643 1.00 4.34 C ATOM 882 NE ARG A 55 -1.860 0.481 -20.626 1.00 53.24 N ATOM 883 CZ ARG A 55 -3.069 0.012 -20.879 1.00 14.54 C ATOM 884 NH1 ARG A 55 -3.583 -0.957 -20.183 1.00 3.22 N ATOM 885 NH2 ARG A 55 -3.779 0.539 -21.819 1.00 15.41 N ATOM 0 H ARG A 55 1.273 -2.483 -18.555 1.00 24.32 H new ATOM 0 HA ARG A 55 2.732 -0.092 -19.567 1.00 62.03 H new ATOM 0 HB2 ARG A 55 0.605 -0.231 -17.397 1.00 23.50 H new ATOM 0 HB3 ARG A 55 1.662 1.146 -17.642 1.00 23.50 H new ATOM 0 HG2 ARG A 55 -0.335 1.780 -18.739 1.00 72.14 H new ATOM 0 HG3 ARG A 55 0.705 1.269 -20.054 1.00 72.14 H new ATOM 0 HD2 ARG A 55 -0.434 -0.962 -20.079 1.00 4.34 H new ATOM 0 HD3 ARG A 55 -1.480 -0.438 -18.775 1.00 4.34 H new ATOM 0 HE ARG A 55 -1.553 1.300 -21.150 1.00 53.24 H new ATOM 0 HH11 ARG A 55 -3.051 -1.375 -19.420 1.00 3.22 H new ATOM 0 HH12 ARG A 55 -4.519 -1.300 -20.400 1.00 3.22 H new ATOM 0 HH21 ARG A 55 -3.407 1.316 -22.365 1.00 15.41 H new ATOM 0 HH22 ARG A 55 -4.713 0.179 -22.016 1.00 15.41 H new ATOM 899 N GLN A 56 4.283 -0.074 -17.443 1.00 70.21 N ATOM 900 CA GLN A 56 5.454 -0.351 -16.575 1.00 41.23 C ATOM 901 C GLN A 56 5.542 0.632 -15.384 1.00 52.44 C ATOM 902 O GLN A 56 5.032 1.759 -15.447 1.00 34.33 O ATOM 903 CB GLN A 56 6.757 -0.291 -17.418 1.00 34.43 C ATOM 904 CG GLN A 56 6.745 -1.200 -18.667 1.00 72.20 C ATOM 905 CD GLN A 56 8.091 -1.263 -19.390 1.00 64.23 C ATOM 906 OE1 GLN A 56 8.369 -0.476 -20.288 1.00 43.11 O ATOM 907 NE2 GLN A 56 8.936 -2.201 -19.005 1.00 43.04 N ATOM 0 H GLN A 56 4.289 0.858 -17.857 1.00 70.21 H new ATOM 0 HA GLN A 56 5.330 -1.351 -16.159 1.00 41.23 H new ATOM 0 HB2 GLN A 56 6.925 0.739 -17.733 1.00 34.43 H new ATOM 0 HB3 GLN A 56 7.599 -0.572 -16.786 1.00 34.43 H new ATOM 0 HG2 GLN A 56 6.454 -2.208 -18.370 1.00 72.20 H new ATOM 0 HG3 GLN A 56 5.985 -0.840 -19.361 1.00 72.20 H new ATOM 0 HE21 GLN A 56 8.679 -2.843 -18.255 1.00 43.04 H new ATOM 0 HE22 GLN A 56 9.846 -2.284 -19.457 1.00 43.04 H new ATOM 916 N ALA A 57 6.217 0.180 -14.305 1.00 51.22 N ATOM 917 CA ALA A 57 6.445 0.978 -13.078 1.00 2.35 C ATOM 918 C ALA A 57 7.734 0.521 -12.359 1.00 72.10 C ATOM 919 O ALA A 57 7.898 -0.667 -12.063 1.00 54.52 O ATOM 920 CB ALA A 57 5.236 0.878 -12.128 1.00 25.31 C ATOM 0 H ALA A 57 6.622 -0.755 -14.259 1.00 51.22 H new ATOM 0 HA ALA A 57 6.566 2.021 -13.372 1.00 2.35 H new ATOM 0 HB1 ALA A 57 5.426 1.472 -11.234 1.00 25.31 H new ATOM 0 HB2 ALA A 57 4.346 1.255 -12.631 1.00 25.31 H new ATOM 0 HB3 ALA A 57 5.080 -0.163 -11.846 1.00 25.31 H new ATOM 926 N GLY A 58 8.641 1.476 -12.078 1.00 31.34 N ATOM 927 CA GLY A 58 9.919 1.188 -11.402 1.00 73.44 C ATOM 928 C GLY A 58 9.861 1.409 -9.886 1.00 52.21 C ATOM 929 O GLY A 58 9.286 2.402 -9.427 1.00 64.50 O ATOM 0 H GLY A 58 8.510 2.460 -12.311 1.00 31.34 H new ATOM 0 HA2 GLY A 58 10.204 0.155 -11.602 1.00 73.44 H new ATOM 0 HA3 GLY A 58 10.698 1.821 -11.826 1.00 73.44 H new ATOM 933 N ILE A 59 10.458 0.476 -9.108 1.00 22.24 N ATOM 934 CA ILE A 59 10.589 0.612 -7.633 1.00 64.22 C ATOM 935 C ILE A 59 11.568 1.768 -7.307 1.00 14.10 C ATOM 936 O ILE A 59 12.695 1.802 -7.824 1.00 23.01 O ATOM 937 CB ILE A 59 11.091 -0.721 -6.914 1.00 22.50 C ATOM 938 CG1 ILE A 59 10.049 -1.894 -7.028 1.00 41.31 C ATOM 939 CG2 ILE A 59 11.440 -0.465 -5.412 1.00 55.41 C ATOM 940 CD1 ILE A 59 9.911 -2.525 -8.399 1.00 2.14 C ATOM 0 H ILE A 59 10.860 -0.385 -9.478 1.00 22.24 H new ATOM 0 HA ILE A 59 9.591 0.822 -7.248 1.00 64.22 H new ATOM 0 HB ILE A 59 11.996 -1.025 -7.440 1.00 22.50 H new ATOM 0 HG12 ILE A 59 10.328 -2.672 -6.317 1.00 41.31 H new ATOM 0 HG13 ILE A 59 9.073 -1.518 -6.722 1.00 41.31 H new ATOM 0 HG21 ILE A 59 11.778 -1.394 -4.954 1.00 55.41 H new ATOM 0 HG22 ILE A 59 12.231 0.282 -5.344 1.00 55.41 H new ATOM 0 HG23 ILE A 59 10.554 -0.104 -4.889 1.00 55.41 H new ATOM 0 HD11 ILE A 59 9.167 -3.321 -8.360 1.00 2.14 H new ATOM 0 HD12 ILE A 59 9.596 -1.768 -9.118 1.00 2.14 H new ATOM 0 HD13 ILE A 59 10.871 -2.941 -8.707 1.00 2.14 H new ATOM 952 N VAL A 60 11.129 2.701 -6.449 1.00 63.15 N ATOM 953 CA VAL A 60 11.953 3.846 -6.012 1.00 52.12 C ATOM 954 C VAL A 60 12.902 3.405 -4.870 1.00 44.53 C ATOM 955 O VAL A 60 14.119 3.596 -4.944 1.00 71.13 O ATOM 956 CB VAL A 60 11.059 5.055 -5.526 1.00 43.51 C ATOM 957 CG1 VAL A 60 11.895 6.356 -5.404 1.00 61.45 C ATOM 958 CG2 VAL A 60 9.832 5.258 -6.446 1.00 1.01 C ATOM 0 H VAL A 60 10.196 2.686 -6.038 1.00 63.15 H new ATOM 0 HA VAL A 60 12.537 4.183 -6.868 1.00 52.12 H new ATOM 0 HB VAL A 60 10.683 4.808 -4.533 1.00 43.51 H new ATOM 0 HG11 VAL A 60 11.253 7.171 -5.068 1.00 61.45 H new ATOM 0 HG12 VAL A 60 12.699 6.206 -4.683 1.00 61.45 H new ATOM 0 HG13 VAL A 60 12.321 6.607 -6.375 1.00 61.45 H new ATOM 0 HG21 VAL A 60 9.239 6.097 -6.082 1.00 1.01 H new ATOM 0 HG22 VAL A 60 10.169 5.465 -7.462 1.00 1.01 H new ATOM 0 HG23 VAL A 60 9.222 4.355 -6.443 1.00 1.01 H new ATOM 968 N ALA A 61 12.306 2.788 -3.828 1.00 34.33 N ATOM 969 CA ALA A 61 13.039 2.257 -2.658 1.00 1.13 C ATOM 970 C ALA A 61 12.205 1.177 -1.927 1.00 23.30 C ATOM 971 O ALA A 61 10.965 1.214 -1.953 1.00 21.11 O ATOM 972 CB ALA A 61 13.427 3.393 -1.695 1.00 14.41 C ATOM 0 H ALA A 61 11.298 2.643 -3.774 1.00 34.33 H new ATOM 0 HA ALA A 61 13.955 1.789 -3.018 1.00 1.13 H new ATOM 0 HB1 ALA A 61 13.965 2.979 -0.842 1.00 14.41 H new ATOM 0 HB2 ALA A 61 14.065 4.108 -2.214 1.00 14.41 H new ATOM 0 HB3 ALA A 61 12.526 3.897 -1.346 1.00 14.41 H new ATOM 978 N ILE A 62 12.913 0.236 -1.271 1.00 34.23 N ATOM 979 CA ILE A 62 12.307 -0.896 -0.526 1.00 50.33 C ATOM 980 C ILE A 62 13.324 -1.494 0.494 1.00 11.55 C ATOM 981 O ILE A 62 14.545 -1.424 0.286 1.00 50.34 O ATOM 982 CB ILE A 62 11.758 -2.031 -1.498 1.00 55.02 C ATOM 983 CG1 ILE A 62 11.115 -3.212 -0.685 1.00 52.52 C ATOM 984 CG2 ILE A 62 12.861 -2.531 -2.463 1.00 52.53 C ATOM 985 CD1 ILE A 62 10.631 -4.387 -1.503 1.00 13.21 C ATOM 0 H ILE A 62 13.933 0.237 -1.241 1.00 34.23 H new ATOM 0 HA ILE A 62 11.453 -0.497 0.021 1.00 50.33 H new ATOM 0 HB ILE A 62 10.971 -1.592 -2.111 1.00 55.02 H new ATOM 0 HG12 ILE A 62 11.848 -3.573 0.036 1.00 52.52 H new ATOM 0 HG13 ILE A 62 10.273 -2.819 -0.114 1.00 52.52 H new ATOM 0 HG21 ILE A 62 12.453 -3.305 -3.112 1.00 52.53 H new ATOM 0 HG22 ILE A 62 13.218 -1.699 -3.070 1.00 52.53 H new ATOM 0 HG23 ILE A 62 13.690 -2.941 -1.887 1.00 52.53 H new ATOM 0 HD11 ILE A 62 10.207 -5.141 -0.841 1.00 13.21 H new ATOM 0 HD12 ILE A 62 9.869 -4.051 -2.206 1.00 13.21 H new ATOM 0 HD13 ILE A 62 11.468 -4.817 -2.053 1.00 13.21 H new ATOM 997 N ARG A 63 12.799 -2.060 1.601 1.00 55.21 N ATOM 998 CA ARG A 63 13.603 -2.782 2.614 1.00 44.10 C ATOM 999 C ARG A 63 12.711 -3.774 3.395 1.00 11.54 C ATOM 1000 O ARG A 63 11.931 -3.355 4.254 1.00 43.13 O ATOM 1001 CB ARG A 63 14.306 -1.791 3.579 1.00 50.03 C ATOM 1002 CG ARG A 63 15.076 -2.447 4.753 1.00 31.31 C ATOM 1003 CD ARG A 63 15.901 -1.428 5.556 1.00 13.21 C ATOM 1004 NE ARG A 63 17.015 -0.882 4.751 1.00 52.14 N ATOM 1005 CZ ARG A 63 17.451 0.360 4.773 1.00 62.22 C ATOM 1006 NH1 ARG A 63 16.895 1.263 5.520 1.00 62.32 N ATOM 1007 NH2 ARG A 63 18.446 0.683 4.015 1.00 20.42 N ATOM 0 H ARG A 63 11.803 -2.030 1.820 1.00 55.21 H new ATOM 0 HA ARG A 63 14.380 -3.346 2.098 1.00 44.10 H new ATOM 0 HB2 ARG A 63 15.003 -1.182 3.004 1.00 50.03 H new ATOM 0 HB3 ARG A 63 13.556 -1.115 3.990 1.00 50.03 H new ATOM 0 HG2 ARG A 63 14.367 -2.941 5.418 1.00 31.31 H new ATOM 0 HG3 ARG A 63 15.738 -3.220 4.363 1.00 31.31 H new ATOM 0 HD2 ARG A 63 15.255 -0.614 5.886 1.00 13.21 H new ATOM 0 HD3 ARG A 63 16.297 -1.904 6.453 1.00 13.21 H new ATOM 0 HE ARG A 63 17.490 -1.528 4.120 1.00 52.14 H new ATOM 0 HH11 ARG A 63 16.100 1.018 6.110 1.00 62.32 H new ATOM 0 HH12 ARG A 63 17.253 2.218 5.518 1.00 62.32 H new ATOM 0 HH21 ARG A 63 18.878 -0.019 3.414 1.00 20.42 H new ATOM 0 HH22 ARG A 63 18.799 1.640 4.017 1.00 20.42 H new ATOM 1021 N ALA A 64 12.844 -5.080 3.064 1.00 1.13 N ATOM 1022 CA ALA A 64 12.135 -6.209 3.727 1.00 34.40 C ATOM 1023 C ALA A 64 10.584 -6.040 3.771 1.00 41.40 C ATOM 1024 O ALA A 64 9.867 -6.592 2.933 1.00 73.42 O ATOM 1025 CB ALA A 64 12.715 -6.465 5.135 1.00 30.03 C ATOM 0 H ALA A 64 13.460 -5.389 2.312 1.00 1.13 H new ATOM 0 HA ALA A 64 12.313 -7.088 3.107 1.00 34.40 H new ATOM 0 HB1 ALA A 64 12.183 -7.294 5.602 1.00 30.03 H new ATOM 0 HB2 ALA A 64 13.773 -6.713 5.053 1.00 30.03 H new ATOM 0 HB3 ALA A 64 12.599 -5.569 5.745 1.00 30.03 H new ATOM 1031 N TYR A 65 10.093 -5.273 4.764 1.00 34.54 N ATOM 1032 CA TYR A 65 8.651 -4.962 4.946 1.00 11.44 C ATOM 1033 C TYR A 65 8.471 -3.543 5.567 1.00 51.42 C ATOM 1034 O TYR A 65 7.349 -3.048 5.711 1.00 60.31 O ATOM 1035 CB TYR A 65 7.978 -6.055 5.835 1.00 70.01 C ATOM 1036 CG TYR A 65 8.414 -6.076 7.319 1.00 13.31 C ATOM 1037 CD1 TYR A 65 9.744 -6.295 7.688 1.00 74.33 C ATOM 1038 CD2 TYR A 65 7.491 -5.866 8.351 1.00 21.43 C ATOM 1039 CE1 TYR A 65 10.131 -6.310 9.019 1.00 55.13 C ATOM 1040 CE2 TYR A 65 7.872 -5.879 9.679 1.00 4.41 C ATOM 1041 CZ TYR A 65 9.192 -6.098 10.011 1.00 42.32 C ATOM 1042 OH TYR A 65 9.573 -6.110 11.339 1.00 31.15 O ATOM 0 H TYR A 65 10.688 -4.845 5.473 1.00 34.54 H new ATOM 0 HA TYR A 65 8.162 -4.963 3.972 1.00 11.44 H new ATOM 0 HB2 TYR A 65 6.898 -5.915 5.795 1.00 70.01 H new ATOM 0 HB3 TYR A 65 8.189 -7.032 5.400 1.00 70.01 H new ATOM 0 HD1 TYR A 65 10.486 -6.456 6.920 1.00 74.33 H new ATOM 0 HD2 TYR A 65 6.455 -5.689 8.102 1.00 21.43 H new ATOM 0 HE1 TYR A 65 11.164 -6.487 9.280 1.00 55.13 H new ATOM 0 HE2 TYR A 65 7.138 -5.718 10.455 1.00 4.41 H new ATOM 0 HH TYR A 65 8.791 -5.943 11.905 1.00 31.15 H new ATOM 1052 N SER A 66 9.605 -2.890 5.892 1.00 71.14 N ATOM 1053 CA SER A 66 9.650 -1.588 6.601 1.00 75.45 C ATOM 1054 C SER A 66 9.210 -0.393 5.714 1.00 24.35 C ATOM 1055 O SER A 66 8.877 0.666 6.251 1.00 72.41 O ATOM 1056 CB SER A 66 11.081 -1.343 7.143 1.00 1.24 C ATOM 1057 OG SER A 66 11.516 -2.431 7.950 1.00 74.21 O ATOM 0 H SER A 66 10.531 -3.255 5.668 1.00 71.14 H new ATOM 0 HA SER A 66 8.935 -1.647 7.422 1.00 75.45 H new ATOM 0 HB2 SER A 66 11.770 -1.206 6.310 1.00 1.24 H new ATOM 0 HB3 SER A 66 11.100 -0.423 7.727 1.00 1.24 H new ATOM 0 HG SER A 66 12.422 -2.253 8.278 1.00 74.21 H new ATOM 1063 N PHE A 67 9.212 -0.578 4.367 1.00 24.23 N ATOM 1064 CA PHE A 67 8.785 0.459 3.371 1.00 4.31 C ATOM 1065 C PHE A 67 8.921 -0.063 1.919 1.00 33.35 C ATOM 1066 O PHE A 67 9.838 -0.836 1.616 1.00 31.11 O ATOM 1067 CB PHE A 67 9.545 1.825 3.521 1.00 51.20 C ATOM 1068 CG PHE A 67 11.074 1.783 3.366 1.00 14.15 C ATOM 1069 CD1 PHE A 67 11.681 1.905 2.112 1.00 4.45 C ATOM 1070 CD2 PHE A 67 11.906 1.644 4.479 1.00 20.40 C ATOM 1071 CE1 PHE A 67 13.056 1.892 1.979 1.00 60.41 C ATOM 1072 CE2 PHE A 67 13.284 1.629 4.343 1.00 4.14 C ATOM 1073 CZ PHE A 67 13.856 1.753 3.093 1.00 70.31 C ATOM 0 H PHE A 67 9.510 -1.452 3.933 1.00 24.23 H new ATOM 0 HA PHE A 67 7.735 0.653 3.589 1.00 4.31 H new ATOM 0 HB2 PHE A 67 9.147 2.519 2.781 1.00 51.20 H new ATOM 0 HB3 PHE A 67 9.313 2.238 4.503 1.00 51.20 H new ATOM 0 HD1 PHE A 67 11.064 2.011 1.232 1.00 4.45 H new ATOM 0 HD2 PHE A 67 11.468 1.547 5.461 1.00 20.40 H new ATOM 0 HE1 PHE A 67 13.505 1.991 1.002 1.00 60.41 H new ATOM 0 HE2 PHE A 67 13.911 1.520 5.215 1.00 4.14 H new ATOM 0 HZ PHE A 67 14.931 1.741 2.988 1.00 70.31 H new ATOM 1083 N ILE A 68 7.967 0.331 1.048 1.00 31.23 N ATOM 1084 CA ILE A 68 8.056 0.124 -0.418 1.00 74.30 C ATOM 1085 C ILE A 68 7.234 1.214 -1.178 1.00 3.21 C ATOM 1086 O ILE A 68 6.161 1.609 -0.718 1.00 71.43 O ATOM 1087 CB ILE A 68 7.575 -1.326 -0.827 1.00 42.31 C ATOM 1088 CG1 ILE A 68 7.832 -1.602 -2.347 1.00 4.03 C ATOM 1089 CG2 ILE A 68 6.094 -1.565 -0.434 1.00 22.05 C ATOM 1090 CD1 ILE A 68 7.400 -2.976 -2.833 1.00 34.04 C ATOM 0 H ILE A 68 7.111 0.803 1.340 1.00 31.23 H new ATOM 0 HA ILE A 68 9.104 0.218 -0.704 1.00 74.30 H new ATOM 0 HB ILE A 68 8.171 -2.045 -0.265 1.00 42.31 H new ATOM 0 HG12 ILE A 68 7.309 -0.845 -2.932 1.00 4.03 H new ATOM 0 HG13 ILE A 68 8.896 -1.480 -2.548 1.00 4.03 H new ATOM 0 HG21 ILE A 68 5.797 -2.571 -0.730 1.00 22.05 H new ATOM 0 HG22 ILE A 68 5.982 -1.456 0.645 1.00 22.05 H new ATOM 0 HG23 ILE A 68 5.461 -0.836 -0.940 1.00 22.05 H new ATOM 0 HD11 ILE A 68 7.619 -3.071 -3.897 1.00 34.04 H new ATOM 0 HD12 ILE A 68 7.942 -3.744 -2.281 1.00 34.04 H new ATOM 0 HD13 ILE A 68 6.329 -3.099 -2.671 1.00 34.04 H new ATOM 1102 N ARG A 69 7.758 1.711 -2.331 1.00 32.30 N ATOM 1103 CA ARG A 69 7.049 2.712 -3.189 1.00 11.11 C ATOM 1104 C ARG A 69 7.477 2.609 -4.686 1.00 34.13 C ATOM 1105 O ARG A 69 8.588 2.172 -4.993 1.00 1.44 O ATOM 1106 CB ARG A 69 7.233 4.176 -2.660 1.00 0.33 C ATOM 1107 CG ARG A 69 8.693 4.639 -2.367 1.00 11.55 C ATOM 1108 CD ARG A 69 9.180 4.289 -0.943 1.00 62.02 C ATOM 1109 NE ARG A 69 10.499 4.877 -0.646 1.00 53.42 N ATOM 1110 CZ ARG A 69 11.006 5.066 0.560 1.00 14.12 C ATOM 1111 NH1 ARG A 69 10.342 4.810 1.638 1.00 14.14 N ATOM 1112 NH2 ARG A 69 12.191 5.549 0.675 1.00 24.45 N ATOM 0 H ARG A 69 8.672 1.436 -2.692 1.00 32.30 H new ATOM 0 HA ARG A 69 5.988 2.468 -3.129 1.00 11.11 H new ATOM 0 HB2 ARG A 69 6.800 4.859 -3.392 1.00 0.33 H new ATOM 0 HB3 ARG A 69 6.653 4.282 -1.743 1.00 0.33 H new ATOM 0 HG2 ARG A 69 9.363 4.180 -3.094 1.00 11.55 H new ATOM 0 HG3 ARG A 69 8.758 5.718 -2.509 1.00 11.55 H new ATOM 0 HD2 ARG A 69 8.452 4.646 -0.214 1.00 62.02 H new ATOM 0 HD3 ARG A 69 9.234 3.206 -0.835 1.00 62.02 H new ATOM 0 HE ARG A 69 11.070 5.163 -1.441 1.00 53.42 H new ATOM 0 HH11 ARG A 69 9.390 4.448 1.577 1.00 14.14 H new ATOM 0 HH12 ARG A 69 10.769 4.970 2.550 1.00 14.14 H new ATOM 0 HH21 ARG A 69 12.730 5.782 -0.159 1.00 24.45 H new ATOM 0 HH22 ARG A 69 12.593 5.699 1.600 1.00 24.45 H new ATOM 1126 N PHE A 70 6.568 3.037 -5.608 1.00 4.12 N ATOM 1127 CA PHE A 70 6.732 2.875 -7.094 1.00 53.32 C ATOM 1128 C PHE A 70 6.562 4.225 -7.862 1.00 42.31 C ATOM 1129 O PHE A 70 6.003 5.185 -7.339 1.00 75.40 O ATOM 1130 CB PHE A 70 5.675 1.862 -7.640 1.00 23.44 C ATOM 1131 CG PHE A 70 5.779 0.433 -7.090 1.00 25.41 C ATOM 1132 CD1 PHE A 70 5.310 0.116 -5.812 1.00 12.12 C ATOM 1133 CD2 PHE A 70 6.337 -0.596 -7.856 1.00 2.43 C ATOM 1134 CE1 PHE A 70 5.399 -1.170 -5.317 1.00 52.30 C ATOM 1135 CE2 PHE A 70 6.418 -1.885 -7.358 1.00 71.22 C ATOM 1136 CZ PHE A 70 5.953 -2.169 -6.090 1.00 10.20 C ATOM 0 H PHE A 70 5.699 3.504 -5.348 1.00 4.12 H new ATOM 0 HA PHE A 70 7.745 2.509 -7.261 1.00 53.32 H new ATOM 0 HB2 PHE A 70 4.680 2.247 -7.416 1.00 23.44 H new ATOM 0 HB3 PHE A 70 5.764 1.822 -8.726 1.00 23.44 H new ATOM 0 HD1 PHE A 70 4.870 0.890 -5.201 1.00 12.12 H new ATOM 0 HD2 PHE A 70 6.709 -0.382 -8.847 1.00 2.43 H new ATOM 0 HE1 PHE A 70 5.035 -1.393 -4.325 1.00 52.30 H new ATOM 0 HE2 PHE A 70 6.846 -2.670 -7.963 1.00 71.22 H new ATOM 0 HZ PHE A 70 6.023 -3.175 -5.703 1.00 10.20 H new ATOM 1146 N HIS A 71 7.051 4.257 -9.125 1.00 12.25 N ATOM 1147 CA HIS A 71 6.824 5.370 -10.096 1.00 53.42 C ATOM 1148 C HIS A 71 6.335 4.794 -11.450 1.00 74.33 C ATOM 1149 O HIS A 71 7.007 3.943 -12.035 1.00 74.33 O ATOM 1150 CB HIS A 71 8.128 6.209 -10.326 1.00 24.10 C ATOM 1151 CG HIS A 71 8.296 7.399 -9.413 1.00 62.44 C ATOM 1152 ND1 HIS A 71 9.410 7.601 -8.632 1.00 61.12 N ATOM 1153 CD2 HIS A 71 7.501 8.478 -9.210 1.00 54.41 C ATOM 1154 CE1 HIS A 71 9.296 8.739 -7.983 1.00 75.34 C ATOM 1155 NE2 HIS A 71 8.152 9.294 -8.317 1.00 61.43 N ATOM 0 H HIS A 71 7.622 3.504 -9.509 1.00 12.25 H new ATOM 0 HA HIS A 71 6.065 6.030 -9.676 1.00 53.42 H new ATOM 0 HB2 HIS A 71 8.990 5.553 -10.203 1.00 24.10 H new ATOM 0 HB3 HIS A 71 8.138 6.559 -11.358 1.00 24.10 H new ATOM 0 HD2 HIS A 71 6.538 8.661 -9.664 1.00 54.41 H new ATOM 0 HE1 HIS A 71 10.019 9.148 -7.293 1.00 75.34 H new ATOM 0 HE2 HIS A 71 7.804 10.187 -7.969 1.00 61.43 H new ATOM 1164 N TRP A 72 5.182 5.288 -11.943 1.00 20.10 N ATOM 1165 CA TRP A 72 4.587 4.844 -13.235 1.00 73.42 C ATOM 1166 C TRP A 72 5.342 5.465 -14.441 1.00 70.11 C ATOM 1167 O TRP A 72 5.314 6.684 -14.637 1.00 64.10 O ATOM 1168 CB TRP A 72 3.082 5.221 -13.290 1.00 61.33 C ATOM 1169 CG TRP A 72 2.284 4.680 -12.122 1.00 3.13 C ATOM 1170 CD1 TRP A 72 2.050 5.303 -10.925 1.00 4.12 C ATOM 1171 CD2 TRP A 72 1.622 3.407 -12.042 1.00 13.05 C ATOM 1172 NE1 TRP A 72 1.292 4.499 -10.115 1.00 1.54 N ATOM 1173 CE2 TRP A 72 1.019 3.328 -10.771 1.00 44.24 C ATOM 1174 CE3 TRP A 72 1.490 2.324 -12.921 1.00 2.13 C ATOM 1175 CZ2 TRP A 72 0.284 2.218 -10.363 1.00 54.44 C ATOM 1176 CZ3 TRP A 72 0.761 1.221 -12.514 1.00 51.31 C ATOM 1177 CH2 TRP A 72 0.171 1.171 -11.242 1.00 61.44 C ATOM 0 H TRP A 72 4.633 6.003 -11.465 1.00 20.10 H new ATOM 0 HA TRP A 72 4.684 3.760 -13.298 1.00 73.42 H new ATOM 0 HB2 TRP A 72 2.988 6.307 -13.313 1.00 61.33 H new ATOM 0 HB3 TRP A 72 2.654 4.844 -14.219 1.00 61.33 H new ATOM 0 HD1 TRP A 72 2.411 6.285 -10.658 1.00 4.12 H new ATOM 0 HE1 TRP A 72 0.980 4.735 -9.173 1.00 1.54 H new ATOM 0 HE3 TRP A 72 1.949 2.350 -13.898 1.00 2.13 H new ATOM 0 HZ2 TRP A 72 -0.181 2.183 -9.389 1.00 54.44 H new ATOM 0 HZ3 TRP A 72 0.644 0.384 -13.187 1.00 51.31 H new ATOM 0 HH2 TRP A 72 -0.383 0.291 -10.949 1.00 61.44 H new ATOM 1188 N LEU A 73 6.003 4.609 -15.242 1.00 54.43 N ATOM 1189 CA LEU A 73 6.866 5.046 -16.371 1.00 2.24 C ATOM 1190 C LEU A 73 6.047 5.566 -17.582 1.00 74.00 C ATOM 1191 O LEU A 73 6.510 6.447 -18.317 1.00 43.24 O ATOM 1192 CB LEU A 73 7.786 3.878 -16.811 1.00 30.55 C ATOM 1193 CG LEU A 73 8.739 3.303 -15.712 1.00 50.24 C ATOM 1194 CD1 LEU A 73 9.629 2.183 -16.282 1.00 44.22 C ATOM 1195 CD2 LEU A 73 9.594 4.418 -15.064 1.00 25.12 C ATOM 0 H LEU A 73 5.959 3.596 -15.131 1.00 54.43 H new ATOM 0 HA LEU A 73 7.469 5.880 -16.014 1.00 2.24 H new ATOM 0 HB2 LEU A 73 7.158 3.067 -17.180 1.00 30.55 H new ATOM 0 HB3 LEU A 73 8.394 4.217 -17.650 1.00 30.55 H new ATOM 0 HG LEU A 73 8.115 2.871 -14.929 1.00 50.24 H new ATOM 0 HD11 LEU A 73 10.281 1.801 -15.497 1.00 44.22 H new ATOM 0 HD12 LEU A 73 9.001 1.375 -16.657 1.00 44.22 H new ATOM 0 HD13 LEU A 73 10.235 2.579 -17.097 1.00 44.22 H new ATOM 0 HD21 LEU A 73 10.244 3.983 -14.305 1.00 25.12 H new ATOM 0 HD22 LEU A 73 10.202 4.902 -15.829 1.00 25.12 H new ATOM 0 HD23 LEU A 73 8.939 5.156 -14.601 1.00 25.12 H new ATOM 1311 N TYR A 81 2.506 8.837 -5.357 1.00 1.04 N ATOM 1312 CA TYR A 81 3.440 8.282 -4.368 1.00 30.21 C ATOM 1313 C TYR A 81 2.626 7.427 -3.386 1.00 53.22 C ATOM 1314 O TYR A 81 2.227 7.887 -2.311 1.00 0.03 O ATOM 1315 CB TYR A 81 4.230 9.414 -3.642 1.00 43.43 C ATOM 1316 CG TYR A 81 5.287 8.937 -2.612 1.00 15.41 C ATOM 1317 CD1 TYR A 81 6.554 8.523 -3.026 1.00 33.51 C ATOM 1318 CD2 TYR A 81 5.025 8.926 -1.233 1.00 43.12 C ATOM 1319 CE1 TYR A 81 7.515 8.122 -2.119 1.00 73.44 C ATOM 1320 CE2 TYR A 81 5.985 8.516 -0.321 1.00 71.34 C ATOM 1321 CZ TYR A 81 7.228 8.121 -0.770 1.00 40.50 C ATOM 1322 OH TYR A 81 8.196 7.728 0.131 1.00 10.15 O ATOM 0 HA TYR A 81 4.189 7.661 -4.859 1.00 30.21 H new ATOM 0 HB2 TYR A 81 4.731 10.023 -4.394 1.00 43.43 H new ATOM 0 HB3 TYR A 81 3.517 10.061 -3.131 1.00 43.43 H new ATOM 0 HD1 TYR A 81 6.788 8.516 -4.080 1.00 33.51 H new ATOM 0 HD2 TYR A 81 4.056 9.243 -0.876 1.00 43.12 H new ATOM 0 HE1 TYR A 81 8.489 7.810 -2.465 1.00 73.44 H new ATOM 0 HE2 TYR A 81 5.761 8.506 0.735 1.00 71.34 H new ATOM 0 HH TYR A 81 7.870 6.962 0.648 1.00 10.15 H new ATOM 1332 N PHE A 82 2.286 6.207 -3.825 1.00 71.13 N ATOM 1333 CA PHE A 82 1.574 5.234 -2.986 1.00 40.54 C ATOM 1334 C PHE A 82 2.619 4.323 -2.299 1.00 2.34 C ATOM 1335 O PHE A 82 3.279 3.501 -2.951 1.00 75.24 O ATOM 1336 CB PHE A 82 0.567 4.420 -3.851 1.00 22.24 C ATOM 1337 CG PHE A 82 -0.471 3.629 -3.046 1.00 5.23 C ATOM 1338 CD1 PHE A 82 -1.575 4.276 -2.480 1.00 72.44 C ATOM 1339 CD2 PHE A 82 -0.356 2.249 -2.863 1.00 22.45 C ATOM 1340 CE1 PHE A 82 -2.521 3.568 -1.760 1.00 51.12 C ATOM 1341 CE2 PHE A 82 -1.303 1.544 -2.138 1.00 75.43 C ATOM 1342 CZ PHE A 82 -2.385 2.202 -1.587 1.00 25.24 C ATOM 0 H PHE A 82 2.495 5.869 -4.764 1.00 71.13 H new ATOM 0 HA PHE A 82 0.994 5.741 -2.215 1.00 40.54 H new ATOM 0 HB2 PHE A 82 0.045 5.105 -4.519 1.00 22.24 H new ATOM 0 HB3 PHE A 82 1.126 3.727 -4.480 1.00 22.24 H new ATOM 0 HD1 PHE A 82 -1.690 5.342 -2.607 1.00 72.44 H new ATOM 0 HD2 PHE A 82 0.484 1.724 -3.293 1.00 22.45 H new ATOM 0 HE1 PHE A 82 -3.368 4.083 -1.332 1.00 51.12 H new ATOM 0 HE2 PHE A 82 -1.195 0.478 -2.003 1.00 75.43 H new ATOM 0 HZ PHE A 82 -3.123 1.652 -1.022 1.00 25.24 H new ATOM 1352 N GLU A 83 2.774 4.500 -0.979 1.00 60.22 N ATOM 1353 CA GLU A 83 3.767 3.777 -0.161 1.00 15.42 C ATOM 1354 C GLU A 83 3.065 2.871 0.863 1.00 33.41 C ATOM 1355 O GLU A 83 2.053 3.257 1.451 1.00 41.13 O ATOM 1356 CB GLU A 83 4.697 4.782 0.576 1.00 25.21 C ATOM 1357 CG GLU A 83 5.720 4.127 1.531 1.00 74.10 C ATOM 1358 CD GLU A 83 6.528 5.140 2.350 1.00 31.23 C ATOM 1359 OE1 GLU A 83 6.025 5.631 3.379 1.00 15.31 O ATOM 1360 OE2 GLU A 83 7.664 5.451 1.974 1.00 70.51 O ATOM 0 H GLU A 83 2.208 5.156 -0.440 1.00 60.22 H new ATOM 0 HA GLU A 83 4.370 3.157 -0.825 1.00 15.42 H new ATOM 0 HB2 GLU A 83 5.237 5.370 -0.167 1.00 25.21 H new ATOM 0 HB3 GLU A 83 4.080 5.477 1.146 1.00 25.21 H new ATOM 0 HG2 GLU A 83 5.193 3.459 2.212 1.00 74.10 H new ATOM 0 HG3 GLU A 83 6.407 3.512 0.949 1.00 74.10 H new ATOM 1367 N ILE A 84 3.621 1.668 1.069 1.00 20.33 N ATOM 1368 CA ILE A 84 3.103 0.697 2.047 1.00 14.11 C ATOM 1369 C ILE A 84 4.239 0.281 3.003 1.00 50.33 C ATOM 1370 O ILE A 84 5.333 -0.085 2.556 1.00 24.14 O ATOM 1371 CB ILE A 84 2.496 -0.602 1.381 1.00 12.33 C ATOM 1372 CG1 ILE A 84 1.416 -0.270 0.286 1.00 4.25 C ATOM 1373 CG2 ILE A 84 1.902 -1.524 2.473 1.00 63.25 C ATOM 1374 CD1 ILE A 84 1.970 0.107 -1.081 1.00 52.41 C ATOM 0 H ILE A 84 4.443 1.340 0.562 1.00 20.33 H new ATOM 0 HA ILE A 84 2.293 1.193 2.582 1.00 14.11 H new ATOM 0 HB ILE A 84 3.309 -1.119 0.871 1.00 12.33 H new ATOM 0 HG12 ILE A 84 0.763 -1.135 0.169 1.00 4.25 H new ATOM 0 HG13 ILE A 84 0.796 0.551 0.648 1.00 4.25 H new ATOM 0 HG21 ILE A 84 1.485 -2.417 2.008 1.00 63.25 H new ATOM 0 HG22 ILE A 84 2.687 -1.812 3.173 1.00 63.25 H new ATOM 0 HG23 ILE A 84 1.115 -0.993 3.009 1.00 63.25 H new ATOM 0 HD11 ILE A 84 1.146 0.317 -1.763 1.00 52.41 H new ATOM 0 HD12 ILE A 84 2.598 0.993 -0.987 1.00 52.41 H new ATOM 0 HD13 ILE A 84 2.564 -0.719 -1.473 1.00 52.41 H new ATOM 1386 N LYS A 85 3.983 0.374 4.313 1.00 22.34 N ATOM 1387 CA LYS A 85 4.931 -0.051 5.362 1.00 30.01 C ATOM 1388 C LYS A 85 4.161 -0.688 6.534 1.00 21.42 C ATOM 1389 O LYS A 85 3.001 -0.340 6.790 1.00 23.13 O ATOM 1390 CB LYS A 85 5.780 1.170 5.811 1.00 12.01 C ATOM 1391 CG LYS A 85 4.947 2.415 6.165 1.00 70.22 C ATOM 1392 CD LYS A 85 5.781 3.706 6.266 1.00 63.04 C ATOM 1393 CE LYS A 85 4.896 4.954 6.409 1.00 12.21 C ATOM 1394 NZ LYS A 85 5.692 6.205 6.362 1.00 71.31 N ATOM 0 H LYS A 85 3.109 0.748 4.682 1.00 22.34 H new ATOM 0 HA LYS A 85 5.613 -0.807 4.973 1.00 30.01 H new ATOM 0 HB2 LYS A 85 6.376 0.886 6.678 1.00 12.01 H new ATOM 0 HB3 LYS A 85 6.478 1.427 5.014 1.00 12.01 H new ATOM 0 HG2 LYS A 85 4.173 2.551 5.410 1.00 70.22 H new ATOM 0 HG3 LYS A 85 4.440 2.245 7.115 1.00 70.22 H new ATOM 0 HD2 LYS A 85 6.452 3.638 7.122 1.00 63.04 H new ATOM 0 HD3 LYS A 85 6.406 3.804 5.378 1.00 63.04 H new ATOM 0 HE2 LYS A 85 4.154 4.966 5.611 1.00 12.21 H new ATOM 0 HE3 LYS A 85 4.350 4.906 7.351 1.00 12.21 H new ATOM 0 HZ1 LYS A 85 5.099 7.005 6.662 1.00 71.31 H new ATOM 0 HZ2 LYS A 85 6.509 6.121 7.000 1.00 71.31 H new ATOM 0 HZ3 LYS A 85 6.027 6.367 5.391 1.00 71.31 H new ATOM 1408 N MET A 86 4.814 -1.615 7.247 1.00 4.12 N ATOM 1409 CA MET A 86 4.179 -2.409 8.322 1.00 51.41 C ATOM 1410 C MET A 86 5.129 -2.558 9.525 1.00 53.05 C ATOM 1411 O MET A 86 6.299 -2.918 9.371 1.00 32.34 O ATOM 1412 CB MET A 86 3.721 -3.807 7.784 1.00 63.35 C ATOM 1413 CG MET A 86 4.630 -4.391 6.698 1.00 14.33 C ATOM 1414 SD MET A 86 4.114 -6.012 6.117 1.00 32.22 S ATOM 1415 CE MET A 86 2.436 -5.724 5.558 1.00 34.43 C ATOM 0 H MET A 86 5.798 -1.840 7.099 1.00 4.12 H new ATOM 0 HA MET A 86 3.291 -1.876 8.662 1.00 51.41 H new ATOM 0 HB2 MET A 86 3.674 -4.507 8.618 1.00 63.35 H new ATOM 0 HB3 MET A 86 2.710 -3.717 7.386 1.00 63.35 H new ATOM 0 HG2 MET A 86 4.658 -3.704 5.852 1.00 14.33 H new ATOM 0 HG3 MET A 86 5.646 -4.461 7.086 1.00 14.33 H new ATOM 0 HE1 MET A 86 2.102 -6.571 4.958 1.00 34.43 H new ATOM 0 HE2 MET A 86 1.780 -5.609 6.421 1.00 34.43 H new ATOM 0 HE3 MET A 86 2.404 -4.817 4.954 1.00 34.43 H new ATOM 1425 N SER A 87 4.602 -2.257 10.716 1.00 74.14 N ATOM 1426 CA SER A 87 5.307 -2.440 11.996 1.00 50.53 C ATOM 1427 C SER A 87 4.774 -3.694 12.712 1.00 13.43 C ATOM 1428 O SER A 87 3.559 -3.907 12.793 1.00 61.10 O ATOM 1429 CB SER A 87 5.113 -1.198 12.900 1.00 62.41 C ATOM 1430 OG SER A 87 5.767 -1.351 14.153 1.00 5.53 O ATOM 0 H SER A 87 3.663 -1.875 10.823 1.00 74.14 H new ATOM 0 HA SER A 87 6.371 -2.565 11.795 1.00 50.53 H new ATOM 0 HB2 SER A 87 5.501 -0.315 12.393 1.00 62.41 H new ATOM 0 HB3 SER A 87 4.049 -1.030 13.063 1.00 62.41 H new ATOM 0 HG SER A 87 5.625 -0.548 14.696 1.00 5.53 H new ATOM 1436 N TYR A 88 5.687 -4.513 13.245 1.00 70.45 N ATOM 1437 CA TYR A 88 5.342 -5.706 14.040 1.00 52.51 C ATOM 1438 C TYR A 88 5.476 -5.360 15.542 1.00 54.33 C ATOM 1439 O TYR A 88 6.581 -5.106 16.025 1.00 10.11 O ATOM 1440 CB TYR A 88 6.264 -6.893 13.635 1.00 20.43 C ATOM 1441 CG TYR A 88 6.076 -8.187 14.453 1.00 30.23 C ATOM 1442 CD1 TYR A 88 4.802 -8.650 14.793 1.00 34.31 C ATOM 1443 CD2 TYR A 88 7.173 -8.943 14.879 1.00 64.52 C ATOM 1444 CE1 TYR A 88 4.633 -9.805 15.525 1.00 72.31 C ATOM 1445 CE2 TYR A 88 7.003 -10.103 15.611 1.00 50.13 C ATOM 1446 CZ TYR A 88 5.731 -10.529 15.933 1.00 13.23 C ATOM 1447 OH TYR A 88 5.553 -11.685 16.668 1.00 3.21 O ATOM 0 H TYR A 88 6.691 -4.370 13.139 1.00 70.45 H new ATOM 0 HA TYR A 88 4.313 -6.010 13.847 1.00 52.51 H new ATOM 0 HB2 TYR A 88 6.093 -7.121 12.583 1.00 20.43 H new ATOM 0 HB3 TYR A 88 7.302 -6.573 13.727 1.00 20.43 H new ATOM 0 HD1 TYR A 88 3.933 -8.092 14.476 1.00 34.31 H new ATOM 0 HD2 TYR A 88 8.171 -8.614 14.631 1.00 64.52 H new ATOM 0 HE1 TYR A 88 3.639 -10.143 15.779 1.00 72.31 H new ATOM 0 HE2 TYR A 88 7.863 -10.674 15.930 1.00 50.13 H new ATOM 0 HH TYR A 88 6.426 -12.078 16.876 1.00 3.21 H new ATOM 1457 N ASN A 89 4.336 -5.345 16.267 1.00 1.23 N ATOM 1458 CA ASN A 89 4.287 -4.951 17.703 1.00 3.04 C ATOM 1459 C ASN A 89 5.101 -5.912 18.622 1.00 10.54 C ATOM 1460 O ASN A 89 5.454 -5.544 19.745 1.00 3.34 O ATOM 1461 CB ASN A 89 2.815 -4.875 18.178 1.00 33.42 C ATOM 1462 CG ASN A 89 2.001 -3.806 17.449 1.00 22.33 C ATOM 1463 OD1 ASN A 89 1.958 -2.651 17.855 1.00 31.14 O ATOM 1464 ND2 ASN A 89 1.359 -4.181 16.364 1.00 30.45 N ATOM 0 H ASN A 89 3.427 -5.603 15.882 1.00 1.23 H new ATOM 0 HA ASN A 89 4.754 -3.969 17.783 1.00 3.04 H new ATOM 0 HB2 ASN A 89 2.342 -5.846 18.031 1.00 33.42 H new ATOM 0 HB3 ASN A 89 2.796 -4.670 19.248 1.00 33.42 H new ATOM 0 HD21 ASN A 89 0.808 -3.503 15.838 1.00 30.45 H new ATOM 0 HD22 ASN A 89 1.413 -5.150 16.049 1.00 30.45 H new ATOM 1471 N GLU A 90 5.349 -7.139 18.118 1.00 62.42 N ATOM 1472 CA GLU A 90 6.228 -8.167 18.739 1.00 43.55 C ATOM 1473 C GLU A 90 5.635 -8.795 20.030 1.00 75.45 C ATOM 1474 O GLU A 90 5.208 -9.953 20.026 1.00 32.11 O ATOM 1475 CB GLU A 90 7.664 -7.618 19.009 1.00 52.20 C ATOM 1476 CG GLU A 90 8.682 -8.697 19.437 1.00 2.50 C ATOM 1477 CD GLU A 90 10.051 -8.139 19.880 1.00 45.53 C ATOM 1478 OE1 GLU A 90 10.841 -7.702 19.008 1.00 55.53 O ATOM 1479 OE2 GLU A 90 10.359 -8.174 21.096 1.00 50.24 O ATOM 0 H GLU A 90 4.934 -7.457 17.242 1.00 62.42 H new ATOM 0 HA GLU A 90 6.294 -8.968 18.003 1.00 43.55 H new ATOM 0 HB2 GLU A 90 8.029 -7.127 18.107 1.00 52.20 H new ATOM 0 HB3 GLU A 90 7.610 -6.856 19.787 1.00 52.20 H new ATOM 0 HG2 GLU A 90 8.257 -9.276 20.256 1.00 2.50 H new ATOM 0 HG3 GLU A 90 8.835 -9.385 18.606 1.00 2.50 H new ATOM 1486 N LEU A 91 5.579 -7.990 21.105 1.00 75.44 N ATOM 1487 CA LEU A 91 5.218 -8.430 22.472 1.00 53.22 C ATOM 1488 C LEU A 91 3.776 -8.974 22.521 1.00 20.10 C ATOM 1489 O LEU A 91 3.491 -9.969 23.198 1.00 70.42 O ATOM 1490 CB LEU A 91 5.374 -7.230 23.456 1.00 24.23 C ATOM 1491 CG LEU A 91 6.738 -6.459 23.399 1.00 32.34 C ATOM 1492 CD1 LEU A 91 6.766 -5.289 24.410 1.00 52.40 C ATOM 1493 CD2 LEU A 91 7.940 -7.409 23.603 1.00 3.41 C ATOM 0 H LEU A 91 5.787 -6.993 21.051 1.00 75.44 H new ATOM 0 HA LEU A 91 5.887 -9.238 22.767 1.00 53.22 H new ATOM 0 HB2 LEU A 91 4.571 -6.520 23.260 1.00 24.23 H new ATOM 0 HB3 LEU A 91 5.232 -7.599 24.472 1.00 24.23 H new ATOM 0 HG LEU A 91 6.828 -6.034 22.399 1.00 32.34 H new ATOM 0 HD11 LEU A 91 7.725 -4.775 24.345 1.00 52.40 H new ATOM 0 HD12 LEU A 91 5.963 -4.589 24.179 1.00 52.40 H new ATOM 0 HD13 LEU A 91 6.630 -5.677 25.419 1.00 52.40 H new ATOM 0 HD21 LEU A 91 8.867 -6.838 23.557 1.00 3.41 H new ATOM 0 HD22 LEU A 91 7.860 -7.893 24.576 1.00 3.41 H new ATOM 0 HD23 LEU A 91 7.942 -8.167 22.820 1.00 3.41 H new ATOM 1505 N THR A 92 2.878 -8.311 21.769 1.00 51.21 N ATOM 1506 CA THR A 92 1.458 -8.713 21.672 1.00 11.51 C ATOM 1507 C THR A 92 1.194 -9.575 20.409 1.00 74.41 C ATOM 1508 O THR A 92 0.171 -10.258 20.316 1.00 35.04 O ATOM 1509 CB THR A 92 0.504 -7.468 21.701 1.00 22.14 C ATOM 1510 OG1 THR A 92 -0.869 -7.888 21.763 1.00 22.54 O ATOM 1511 CG2 THR A 92 0.707 -6.543 20.487 1.00 54.34 C ATOM 0 H THR A 92 3.111 -7.487 21.214 1.00 51.21 H new ATOM 0 HA THR A 92 1.240 -9.325 22.547 1.00 11.51 H new ATOM 0 HB THR A 92 0.756 -6.900 22.596 1.00 22.14 H new ATOM 0 HG1 THR A 92 -1.207 -8.036 20.855 1.00 22.54 H new ATOM 0 HG21 THR A 92 0.023 -5.697 20.556 1.00 54.34 H new ATOM 0 HG22 THR A 92 1.734 -6.179 20.475 1.00 54.34 H new ATOM 0 HG23 THR A 92 0.508 -7.097 19.570 1.00 54.34 H new ATOM 1519 N GLY A 93 2.137 -9.531 19.435 1.00 63.20 N ATOM 1520 CA GLY A 93 2.075 -10.383 18.227 1.00 54.33 C ATOM 1521 C GLY A 93 1.303 -9.780 17.040 1.00 53.42 C ATOM 1522 O GLY A 93 1.407 -10.284 15.917 1.00 31.34 O ATOM 0 H GLY A 93 2.948 -8.914 19.465 1.00 63.20 H new ATOM 0 HA2 GLY A 93 3.093 -10.603 17.904 1.00 54.33 H new ATOM 0 HA3 GLY A 93 1.613 -11.333 18.495 1.00 54.33 H new ATOM 1526 N ASP A 94 0.521 -8.718 17.284 1.00 40.00 N ATOM 1527 CA ASP A 94 -0.294 -8.054 16.234 1.00 45.45 C ATOM 1528 C ASP A 94 0.575 -7.252 15.225 1.00 32.33 C ATOM 1529 O ASP A 94 1.781 -7.033 15.445 1.00 63.35 O ATOM 1530 CB ASP A 94 -1.328 -7.118 16.908 1.00 21.41 C ATOM 1531 CG ASP A 94 -2.283 -7.869 17.853 1.00 20.23 C ATOM 1532 OD1 ASP A 94 -1.847 -8.278 18.946 1.00 71.01 O ATOM 1533 OD2 ASP A 94 -3.463 -8.072 17.505 1.00 20.41 O ATOM 0 H ASP A 94 0.430 -8.291 18.206 1.00 40.00 H new ATOM 0 HA ASP A 94 -0.803 -8.832 15.665 1.00 45.45 H new ATOM 0 HB2 ASP A 94 -0.801 -6.346 17.469 1.00 21.41 H new ATOM 0 HB3 ASP A 94 -1.910 -6.612 16.138 1.00 21.41 H new ATOM 1538 N TYR A 95 -0.062 -6.803 14.125 1.00 73.43 N ATOM 1539 CA TYR A 95 0.559 -5.916 13.110 1.00 51.54 C ATOM 1540 C TYR A 95 -0.187 -4.574 13.016 1.00 52.14 C ATOM 1541 O TYR A 95 -1.385 -4.477 13.309 1.00 44.14 O ATOM 1542 CB TYR A 95 0.595 -6.608 11.707 1.00 31.23 C ATOM 1543 CG TYR A 95 1.856 -7.434 11.440 1.00 2.20 C ATOM 1544 CD1 TYR A 95 2.007 -8.713 11.981 1.00 52.32 C ATOM 1545 CD2 TYR A 95 2.897 -6.938 10.642 1.00 40.11 C ATOM 1546 CE1 TYR A 95 3.143 -9.460 11.740 1.00 74.04 C ATOM 1547 CE2 TYR A 95 4.033 -7.686 10.401 1.00 51.43 C ATOM 1548 CZ TYR A 95 4.152 -8.944 10.950 1.00 45.11 C ATOM 1549 OH TYR A 95 5.277 -9.698 10.703 1.00 52.51 O ATOM 0 H TYR A 95 -1.029 -7.045 13.911 1.00 73.43 H new ATOM 0 HA TYR A 95 1.583 -5.721 13.428 1.00 51.54 H new ATOM 0 HB2 TYR A 95 -0.276 -7.257 11.613 1.00 31.23 H new ATOM 0 HB3 TYR A 95 0.507 -5.843 10.936 1.00 31.23 H new ATOM 0 HD1 TYR A 95 1.222 -9.124 12.598 1.00 52.32 H new ATOM 0 HD2 TYR A 95 2.809 -5.953 10.208 1.00 40.11 H new ATOM 0 HE1 TYR A 95 3.243 -10.446 12.169 1.00 74.04 H new ATOM 0 HE2 TYR A 95 4.825 -7.286 9.785 1.00 51.43 H new ATOM 0 HH TYR A 95 5.042 -10.649 10.715 1.00 52.51 H new ATOM 1559 N VAL A 96 0.567 -3.534 12.644 1.00 53.13 N ATOM 1560 CA VAL A 96 0.036 -2.219 12.263 1.00 5.52 C ATOM 1561 C VAL A 96 0.485 -1.879 10.820 1.00 11.41 C ATOM 1562 O VAL A 96 1.662 -2.018 10.487 1.00 63.31 O ATOM 1563 CB VAL A 96 0.545 -1.098 13.249 1.00 45.25 C ATOM 1564 CG1 VAL A 96 0.014 0.289 12.837 1.00 44.12 C ATOM 1565 CG2 VAL A 96 0.156 -1.408 14.715 1.00 53.13 C ATOM 0 H VAL A 96 1.585 -3.583 12.598 1.00 53.13 H new ATOM 0 HA VAL A 96 -1.052 -2.258 12.315 1.00 5.52 H new ATOM 0 HB VAL A 96 1.633 -1.085 13.184 1.00 45.25 H new ATOM 0 HG11 VAL A 96 0.381 1.041 13.535 1.00 44.12 H new ATOM 0 HG12 VAL A 96 0.360 0.527 11.831 1.00 44.12 H new ATOM 0 HG13 VAL A 96 -1.076 0.281 12.853 1.00 44.12 H new ATOM 0 HG21 VAL A 96 0.524 -0.614 15.365 1.00 53.13 H new ATOM 0 HG22 VAL A 96 -0.929 -1.472 14.798 1.00 53.13 H new ATOM 0 HG23 VAL A 96 0.599 -2.357 15.016 1.00 53.13 H new ATOM 1575 N LEU A 97 -0.460 -1.445 9.971 1.00 73.04 N ATOM 1576 CA LEU A 97 -0.155 -0.894 8.633 1.00 52.43 C ATOM 1577 C LEU A 97 -0.096 0.643 8.676 1.00 42.04 C ATOM 1578 O LEU A 97 -0.685 1.289 9.544 1.00 73.14 O ATOM 1579 CB LEU A 97 -1.184 -1.361 7.549 1.00 71.41 C ATOM 1580 CG LEU A 97 -0.842 -2.677 6.779 1.00 2.40 C ATOM 1581 CD1 LEU A 97 0.599 -2.657 6.245 1.00 53.05 C ATOM 1582 CD2 LEU A 97 -1.107 -3.937 7.628 1.00 43.52 C ATOM 0 H LEU A 97 -1.456 -1.464 10.188 1.00 73.04 H new ATOM 0 HA LEU A 97 0.823 -1.283 8.348 1.00 52.43 H new ATOM 0 HB2 LEU A 97 -2.152 -1.491 8.032 1.00 71.41 H new ATOM 0 HB3 LEU A 97 -1.297 -0.559 6.819 1.00 71.41 H new ATOM 0 HG LEU A 97 -1.515 -2.724 5.923 1.00 2.40 H new ATOM 0 HD11 LEU A 97 0.803 -3.587 5.715 1.00 53.05 H new ATOM 0 HD12 LEU A 97 0.723 -1.816 5.563 1.00 53.05 H new ATOM 0 HD13 LEU A 97 1.294 -2.554 7.078 1.00 53.05 H new ATOM 0 HD21 LEU A 97 -0.854 -4.825 7.049 1.00 43.52 H new ATOM 0 HD22 LEU A 97 -0.494 -3.904 8.529 1.00 43.52 H new ATOM 0 HD23 LEU A 97 -2.160 -3.973 7.907 1.00 43.52 H new ATOM 1594 N GLU A 98 0.653 1.193 7.725 1.00 73.42 N ATOM 1595 CA GLU A 98 0.784 2.641 7.504 1.00 1.03 C ATOM 1596 C GLU A 98 0.903 2.875 5.983 1.00 30.01 C ATOM 1597 O GLU A 98 1.924 2.540 5.377 1.00 1.14 O ATOM 1598 CB GLU A 98 2.029 3.196 8.294 1.00 1.33 C ATOM 1599 CG GLU A 98 1.700 4.128 9.483 1.00 3.42 C ATOM 1600 CD GLU A 98 1.340 5.560 9.049 1.00 72.12 C ATOM 1601 OE1 GLU A 98 2.274 6.373 8.846 1.00 64.32 O ATOM 1602 OE2 GLU A 98 0.141 5.889 8.920 1.00 3.50 O ATOM 0 H GLU A 98 1.201 0.637 7.068 1.00 73.42 H new ATOM 0 HA GLU A 98 -0.087 3.179 7.878 1.00 1.03 H new ATOM 0 HB2 GLU A 98 2.607 2.351 8.667 1.00 1.33 H new ATOM 0 HB3 GLU A 98 2.668 3.737 7.597 1.00 1.33 H new ATOM 0 HG2 GLU A 98 0.868 3.706 10.047 1.00 3.42 H new ATOM 0 HG3 GLU A 98 2.557 4.164 10.156 1.00 3.42 H new ATOM 1609 N ILE A 99 -0.161 3.387 5.353 1.00 65.42 N ATOM 1610 CA ILE A 99 -0.180 3.652 3.896 1.00 22.33 C ATOM 1611 C ILE A 99 -0.025 5.176 3.652 1.00 33.05 C ATOM 1612 O ILE A 99 -0.884 5.972 4.042 1.00 51.11 O ATOM 1613 CB ILE A 99 -1.491 3.064 3.197 1.00 42.22 C ATOM 1614 CG1 ILE A 99 -1.425 1.493 3.044 1.00 31.51 C ATOM 1615 CG2 ILE A 99 -1.766 3.716 1.814 1.00 42.33 C ATOM 1616 CD1 ILE A 99 -1.423 0.690 4.334 1.00 41.02 C ATOM 0 H ILE A 99 -1.030 3.630 5.828 1.00 65.42 H new ATOM 0 HA ILE A 99 0.661 3.135 3.434 1.00 22.33 H new ATOM 0 HB ILE A 99 -2.319 3.314 3.861 1.00 42.22 H new ATOM 0 HG12 ILE A 99 -2.275 1.172 2.443 1.00 31.51 H new ATOM 0 HG13 ILE A 99 -0.525 1.241 2.483 1.00 31.51 H new ATOM 0 HG21 ILE A 99 -2.667 3.283 1.380 1.00 42.33 H new ATOM 0 HG22 ILE A 99 -1.904 4.790 1.939 1.00 42.33 H new ATOM 0 HG23 ILE A 99 -0.920 3.534 1.151 1.00 42.33 H new ATOM 0 HD11 ILE A 99 -1.375 -0.374 4.100 1.00 41.02 H new ATOM 0 HD12 ILE A 99 -0.557 0.969 4.935 1.00 41.02 H new ATOM 0 HD13 ILE A 99 -2.335 0.898 4.893 1.00 41.02 H new ATOM 1628 N THR A 100 1.095 5.566 3.022 1.00 42.32 N ATOM 1629 CA THR A 100 1.398 6.975 2.707 1.00 13.51 C ATOM 1630 C THR A 100 0.907 7.323 1.289 1.00 52.22 C ATOM 1631 O THR A 100 1.442 6.834 0.294 1.00 24.13 O ATOM 1632 CB THR A 100 2.930 7.274 2.827 1.00 24.54 C ATOM 1633 OG1 THR A 100 3.382 6.984 4.161 1.00 14.31 O ATOM 1634 CG2 THR A 100 3.283 8.734 2.483 1.00 30.23 C ATOM 0 H THR A 100 1.817 4.914 2.716 1.00 42.32 H new ATOM 0 HA THR A 100 0.874 7.596 3.434 1.00 13.51 H new ATOM 0 HB THR A 100 3.432 6.633 2.102 1.00 24.54 H new ATOM 0 HG1 THR A 100 4.249 6.529 4.121 1.00 14.31 H new ATOM 0 HG21 THR A 100 4.358 8.882 2.584 1.00 30.23 H new ATOM 0 HG22 THR A 100 2.982 8.949 1.458 1.00 30.23 H new ATOM 0 HG23 THR A 100 2.759 9.405 3.164 1.00 30.23 H new ATOM 1642 N ASP A 101 -0.144 8.139 1.229 1.00 64.45 N ATOM 1643 CA ASP A 101 -0.719 8.680 -0.015 1.00 31.35 C ATOM 1644 C ASP A 101 -0.657 10.227 0.049 1.00 5.42 C ATOM 1645 O ASP A 101 -0.462 10.787 1.125 1.00 23.31 O ATOM 1646 CB ASP A 101 -2.178 8.153 -0.128 1.00 52.25 C ATOM 1647 CG ASP A 101 -2.961 8.732 -1.313 1.00 55.12 C ATOM 1648 OD1 ASP A 101 -2.649 8.376 -2.469 1.00 10.23 O ATOM 1649 OD2 ASP A 101 -3.881 9.552 -1.095 1.00 13.55 O ATOM 0 H ASP A 101 -0.637 8.455 2.064 1.00 64.45 H new ATOM 0 HA ASP A 101 -0.167 8.362 -0.899 1.00 31.35 H new ATOM 0 HB2 ASP A 101 -2.155 7.067 -0.217 1.00 52.25 H new ATOM 0 HB3 ASP A 101 -2.710 8.386 0.794 1.00 52.25 H new ATOM 1654 N PHE A 102 -0.775 10.937 -1.092 1.00 15.14 N ATOM 1655 CA PHE A 102 -0.910 12.415 -1.064 1.00 53.24 C ATOM 1656 C PHE A 102 -2.071 12.900 -1.962 1.00 74.55 C ATOM 1657 O PHE A 102 -2.113 12.643 -3.170 1.00 63.04 O ATOM 1658 CB PHE A 102 0.444 13.135 -1.366 1.00 71.41 C ATOM 1659 CG PHE A 102 0.959 13.116 -2.804 1.00 2.04 C ATOM 1660 CD1 PHE A 102 1.376 11.938 -3.412 1.00 44.42 C ATOM 1661 CD2 PHE A 102 1.066 14.301 -3.538 1.00 2.24 C ATOM 1662 CE1 PHE A 102 1.874 11.949 -4.698 1.00 64.10 C ATOM 1663 CE2 PHE A 102 1.560 14.302 -4.826 1.00 25.43 C ATOM 1664 CZ PHE A 102 1.964 13.126 -5.401 1.00 4.31 C ATOM 0 H PHE A 102 -0.780 10.526 -2.026 1.00 15.14 H new ATOM 0 HA PHE A 102 -1.175 12.699 -0.046 1.00 53.24 H new ATOM 0 HB2 PHE A 102 0.344 14.177 -1.060 1.00 71.41 H new ATOM 0 HB3 PHE A 102 1.209 12.688 -0.731 1.00 71.41 H new ATOM 0 HD1 PHE A 102 1.309 11.005 -2.872 1.00 44.42 H new ATOM 0 HD2 PHE A 102 0.756 15.233 -3.088 1.00 2.24 H new ATOM 0 HE1 PHE A 102 2.196 11.025 -5.156 1.00 64.10 H new ATOM 0 HE2 PHE A 102 1.628 15.227 -5.379 1.00 25.43 H new ATOM 0 HZ PHE A 102 2.354 13.124 -6.408 1.00 4.31 H new ATOM 1674 N SER A 103 -3.008 13.629 -1.329 1.00 41.11 N ATOM 1675 CA SER A 103 -4.274 14.087 -1.941 1.00 12.02 C ATOM 1676 C SER A 103 -4.519 15.574 -1.633 1.00 34.41 C ATOM 1677 O SER A 103 -4.110 16.070 -0.582 1.00 23.11 O ATOM 1678 CB SER A 103 -5.475 13.261 -1.404 1.00 13.52 C ATOM 1679 OG SER A 103 -5.403 11.903 -1.802 1.00 31.22 O ATOM 0 H SER A 103 -2.907 13.924 -0.358 1.00 41.11 H new ATOM 0 HA SER A 103 -4.188 13.946 -3.018 1.00 12.02 H new ATOM 0 HB2 SER A 103 -5.498 13.320 -0.316 1.00 13.52 H new ATOM 0 HB3 SER A 103 -6.406 13.697 -1.767 1.00 13.52 H new ATOM 0 HG SER A 103 -4.715 11.444 -1.276 1.00 31.22 H new ATOM 1685 N GLU A 104 -5.199 16.274 -2.555 1.00 24.05 N ATOM 1686 CA GLU A 104 -5.660 17.663 -2.324 1.00 12.23 C ATOM 1687 C GLU A 104 -6.785 17.706 -1.254 1.00 35.33 C ATOM 1688 O GLU A 104 -7.444 16.694 -0.994 1.00 64.44 O ATOM 1689 CB GLU A 104 -6.180 18.268 -3.650 1.00 62.52 C ATOM 1690 CG GLU A 104 -5.126 18.368 -4.763 1.00 24.43 C ATOM 1691 CD GLU A 104 -5.627 19.127 -5.996 1.00 34.22 C ATOM 1692 OE1 GLU A 104 -5.694 20.376 -5.944 1.00 1.01 O ATOM 1693 OE2 GLU A 104 -5.965 18.482 -7.011 1.00 51.31 O ATOM 0 H GLU A 104 -5.445 15.904 -3.473 1.00 24.05 H new ATOM 0 HA GLU A 104 -4.816 18.248 -1.959 1.00 12.23 H new ATOM 0 HB2 GLU A 104 -7.012 17.662 -4.009 1.00 62.52 H new ATOM 0 HB3 GLU A 104 -6.574 19.264 -3.450 1.00 62.52 H new ATOM 0 HG2 GLU A 104 -4.239 18.866 -4.372 1.00 24.43 H new ATOM 0 HG3 GLU A 104 -4.823 17.364 -5.060 1.00 24.43 H new ATOM 1700 N ALA A 105 -7.005 18.884 -0.648 1.00 43.41 N ATOM 1701 CA ALA A 105 -8.099 19.094 0.339 1.00 33.13 C ATOM 1702 C ALA A 105 -9.517 18.829 -0.254 1.00 75.34 C ATOM 1703 O ALA A 105 -10.469 18.603 0.490 1.00 21.10 O ATOM 1704 CB ALA A 105 -8.016 20.509 0.913 1.00 50.42 C ATOM 0 H ALA A 105 -6.440 19.716 -0.820 1.00 43.41 H new ATOM 0 HA ALA A 105 -7.956 18.363 1.134 1.00 33.13 H new ATOM 0 HB1 ALA A 105 -8.819 20.657 1.635 1.00 50.42 H new ATOM 0 HB2 ALA A 105 -7.054 20.645 1.408 1.00 50.42 H new ATOM 0 HB3 ALA A 105 -8.115 21.235 0.106 1.00 50.42 H new ATOM 1710 N ASP A 106 -9.632 18.881 -1.592 1.00 30.12 N ATOM 1711 CA ASP A 106 -10.893 18.609 -2.327 1.00 21.41 C ATOM 1712 C ASP A 106 -11.271 17.100 -2.297 1.00 51.22 C ATOM 1713 O ASP A 106 -12.450 16.732 -2.357 1.00 60.52 O ATOM 1714 CB ASP A 106 -10.731 19.061 -3.799 1.00 52.10 C ATOM 1715 CG ASP A 106 -10.107 20.458 -3.935 1.00 64.25 C ATOM 1716 OD1 ASP A 106 -10.845 21.464 -3.904 1.00 65.33 O ATOM 1717 OD2 ASP A 106 -8.861 20.551 -4.043 1.00 13.32 O ATOM 0 H ASP A 106 -8.850 19.114 -2.204 1.00 30.12 H new ATOM 0 HA ASP A 106 -11.692 19.165 -1.837 1.00 21.41 H new ATOM 0 HB2 ASP A 106 -10.109 18.339 -4.328 1.00 52.10 H new ATOM 0 HB3 ASP A 106 -11.707 19.057 -4.284 1.00 52.10 H new ATOM 1722 N GLU A 107 -10.235 16.251 -2.220 1.00 71.11 N ATOM 1723 CA GLU A 107 -10.339 14.777 -2.362 1.00 24.11 C ATOM 1724 C GLU A 107 -9.771 14.026 -1.130 1.00 42.31 C ATOM 1725 O GLU A 107 -9.681 12.798 -1.132 1.00 32.11 O ATOM 1726 CB GLU A 107 -9.577 14.368 -3.648 1.00 73.11 C ATOM 1727 CG GLU A 107 -8.138 14.925 -3.700 1.00 11.53 C ATOM 1728 CD GLU A 107 -7.367 14.627 -4.988 1.00 74.04 C ATOM 1729 OE1 GLU A 107 -7.951 14.751 -6.084 1.00 3.13 O ATOM 1730 OE2 GLU A 107 -6.164 14.316 -4.910 1.00 71.11 O ATOM 0 H GLU A 107 -9.280 16.568 -2.054 1.00 71.11 H new ATOM 0 HA GLU A 107 -11.391 14.500 -2.430 1.00 24.11 H new ATOM 0 HB2 GLU A 107 -9.542 13.280 -3.713 1.00 73.11 H new ATOM 0 HB3 GLU A 107 -10.129 14.722 -4.519 1.00 73.11 H new ATOM 0 HG2 GLU A 107 -8.179 16.006 -3.563 1.00 11.53 H new ATOM 0 HG3 GLU A 107 -7.578 14.518 -2.858 1.00 11.53 H new ATOM 1737 N ALA A 108 -9.379 14.774 -0.085 1.00 41.44 N ATOM 1738 CA ALA A 108 -8.915 14.192 1.198 1.00 40.24 C ATOM 1739 C ALA A 108 -10.095 13.584 2.000 1.00 55.23 C ATOM 1740 O ALA A 108 -9.903 12.668 2.803 1.00 74.40 O ATOM 1741 CB ALA A 108 -8.186 15.264 2.027 1.00 61.54 C ATOM 0 H ALA A 108 -9.372 15.794 -0.099 1.00 41.44 H new ATOM 0 HA ALA A 108 -8.219 13.383 0.976 1.00 40.24 H new ATOM 0 HB1 ALA A 108 -7.848 14.829 2.968 1.00 61.54 H new ATOM 0 HB2 ALA A 108 -7.326 15.633 1.468 1.00 61.54 H new ATOM 0 HB3 ALA A 108 -8.867 16.090 2.233 1.00 61.54 H new ATOM 1747 N ASP A 109 -11.307 14.119 1.755 1.00 14.11 N ATOM 1748 CA ASP A 109 -12.560 13.726 2.449 1.00 53.41 C ATOM 1749 C ASP A 109 -12.880 12.208 2.335 1.00 63.53 C ATOM 1750 O ASP A 109 -13.218 11.565 3.333 1.00 4.41 O ATOM 1751 CB ASP A 109 -13.745 14.545 1.883 1.00 52.32 C ATOM 1752 CG ASP A 109 -13.529 16.062 2.010 1.00 53.20 C ATOM 1753 OD1 ASP A 109 -12.856 16.649 1.133 1.00 41.42 O ATOM 1754 OD2 ASP A 109 -13.992 16.664 3.008 1.00 64.03 O ATOM 0 H ASP A 109 -11.451 14.850 1.058 1.00 14.11 H new ATOM 0 HA ASP A 109 -12.411 13.939 3.508 1.00 53.41 H new ATOM 0 HB2 ASP A 109 -13.890 14.289 0.834 1.00 52.32 H new ATOM 0 HB3 ASP A 109 -14.658 14.266 2.409 1.00 52.32 H new ATOM 1759 N ASP A 110 -12.788 11.646 1.114 1.00 73.41 N ATOM 1760 CA ASP A 110 -13.089 10.211 0.871 1.00 31.42 C ATOM 1761 C ASP A 110 -11.934 9.293 1.357 1.00 1.42 C ATOM 1762 O ASP A 110 -12.143 8.107 1.613 1.00 20.45 O ATOM 1763 CB ASP A 110 -13.434 9.970 -0.621 1.00 74.21 C ATOM 1764 CG ASP A 110 -12.288 10.338 -1.570 1.00 24.02 C ATOM 1765 OD1 ASP A 110 -12.156 11.529 -1.916 1.00 30.35 O ATOM 1766 OD2 ASP A 110 -11.521 9.440 -1.975 1.00 1.53 O ATOM 0 H ASP A 110 -12.508 12.159 0.278 1.00 73.41 H new ATOM 0 HA ASP A 110 -13.966 9.945 1.461 1.00 31.42 H new ATOM 0 HB2 ASP A 110 -13.693 8.921 -0.763 1.00 74.21 H new ATOM 0 HB3 ASP A 110 -14.316 10.554 -0.883 1.00 74.21 H new ATOM 1771 N LEU A 111 -10.713 9.852 1.462 1.00 23.43 N ATOM 1772 CA LEU A 111 -9.570 9.170 2.135 1.00 32.04 C ATOM 1773 C LEU A 111 -9.812 9.042 3.664 1.00 54.21 C ATOM 1774 O LEU A 111 -9.479 8.016 4.274 1.00 11.35 O ATOM 1775 CB LEU A 111 -8.232 9.920 1.852 1.00 61.30 C ATOM 1776 CG LEU A 111 -7.471 9.538 0.538 1.00 64.21 C ATOM 1777 CD1 LEU A 111 -7.038 8.055 0.547 1.00 2.33 C ATOM 1778 CD2 LEU A 111 -8.294 9.877 -0.721 1.00 4.31 C ATOM 0 H LEU A 111 -10.484 10.774 1.092 1.00 23.43 H new ATOM 0 HA LEU A 111 -9.494 8.164 1.722 1.00 32.04 H new ATOM 0 HB2 LEU A 111 -8.442 10.989 1.824 1.00 61.30 H new ATOM 0 HB3 LEU A 111 -7.562 9.748 2.694 1.00 61.30 H new ATOM 0 HG LEU A 111 -6.566 10.145 0.503 1.00 64.21 H new ATOM 0 HD11 LEU A 111 -6.513 7.824 -0.380 1.00 2.33 H new ATOM 0 HD12 LEU A 111 -6.376 7.874 1.394 1.00 2.33 H new ATOM 0 HD13 LEU A 111 -7.919 7.419 0.633 1.00 2.33 H new ATOM 0 HD21 LEU A 111 -7.730 9.596 -1.611 1.00 4.31 H new ATOM 0 HD22 LEU A 111 -9.235 9.327 -0.699 1.00 4.31 H new ATOM 0 HD23 LEU A 111 -8.499 10.947 -0.744 1.00 4.31 H new ATOM 1790 N LYS A 112 -10.384 10.102 4.270 1.00 2.45 N ATOM 1791 CA LYS A 112 -10.795 10.095 5.700 1.00 43.22 C ATOM 1792 C LYS A 112 -11.991 9.147 5.928 1.00 70.32 C ATOM 1793 O LYS A 112 -12.109 8.537 6.989 1.00 62.10 O ATOM 1794 CB LYS A 112 -11.156 11.530 6.184 1.00 41.03 C ATOM 1795 CG LYS A 112 -10.026 12.571 6.023 1.00 61.13 C ATOM 1796 CD LYS A 112 -8.720 12.178 6.760 1.00 71.42 C ATOM 1797 CE LYS A 112 -7.602 13.223 6.577 1.00 21.42 C ATOM 1798 NZ LYS A 112 -7.973 14.544 7.149 1.00 31.02 N ATOM 0 H LYS A 112 -10.575 10.983 3.792 1.00 2.45 H new ATOM 0 HA LYS A 112 -9.948 9.733 6.283 1.00 43.22 H new ATOM 0 HB2 LYS A 112 -12.030 11.875 5.632 1.00 41.03 H new ATOM 0 HB3 LYS A 112 -11.441 11.483 7.235 1.00 41.03 H new ATOM 0 HG2 LYS A 112 -9.811 12.702 4.963 1.00 61.13 H new ATOM 0 HG3 LYS A 112 -10.372 13.534 6.400 1.00 61.13 H new ATOM 0 HD2 LYS A 112 -8.929 12.056 7.823 1.00 71.42 H new ATOM 0 HD3 LYS A 112 -8.375 11.212 6.391 1.00 71.42 H new ATOM 0 HE2 LYS A 112 -6.690 12.865 7.054 1.00 21.42 H new ATOM 0 HE3 LYS A 112 -7.383 13.337 5.515 1.00 21.42 H new ATOM 0 HZ1 LYS A 112 -7.152 15.182 7.111 1.00 31.02 H new ATOM 0 HZ2 LYS A 112 -8.755 14.953 6.599 1.00 31.02 H new ATOM 0 HZ3 LYS A 112 -8.272 14.423 8.138 1.00 31.02 H new ATOM 1812 N GLU A 113 -12.870 9.048 4.912 1.00 41.53 N ATOM 1813 CA GLU A 113 -14.016 8.106 4.913 1.00 3.22 C ATOM 1814 C GLU A 113 -13.528 6.639 4.865 1.00 41.45 C ATOM 1815 O GLU A 113 -14.101 5.767 5.520 1.00 74.53 O ATOM 1816 CB GLU A 113 -14.948 8.396 3.702 1.00 32.41 C ATOM 1817 CG GLU A 113 -16.261 7.573 3.659 1.00 2.42 C ATOM 1818 CD GLU A 113 -17.246 7.939 4.786 1.00 44.22 C ATOM 1819 OE1 GLU A 113 -17.944 8.970 4.659 1.00 63.32 O ATOM 1820 OE2 GLU A 113 -17.314 7.216 5.808 1.00 41.20 O ATOM 0 H GLU A 113 -12.810 9.616 4.067 1.00 41.53 H new ATOM 0 HA GLU A 113 -14.574 8.251 5.838 1.00 3.22 H new ATOM 0 HB2 GLU A 113 -15.204 9.456 3.708 1.00 32.41 H new ATOM 0 HB3 GLU A 113 -14.391 8.208 2.784 1.00 32.41 H new ATOM 0 HG2 GLU A 113 -16.748 7.728 2.696 1.00 2.42 H new ATOM 0 HG3 GLU A 113 -16.019 6.512 3.727 1.00 2.42 H new ATOM 1827 N LEU A 114 -12.466 6.390 4.067 1.00 14.41 N ATOM 1828 CA LEU A 114 -11.817 5.058 3.958 1.00 74.53 C ATOM 1829 C LEU A 114 -11.186 4.633 5.305 1.00 20.30 C ATOM 1830 O LEU A 114 -11.417 3.516 5.784 1.00 2.02 O ATOM 1831 CB LEU A 114 -10.736 5.073 2.836 1.00 60.04 C ATOM 1832 CG LEU A 114 -9.901 3.756 2.654 1.00 64.43 C ATOM 1833 CD1 LEU A 114 -10.804 2.549 2.314 1.00 53.40 C ATOM 1834 CD2 LEU A 114 -8.780 3.935 1.603 1.00 60.22 C ATOM 0 H LEU A 114 -12.033 7.103 3.480 1.00 14.41 H new ATOM 0 HA LEU A 114 -12.585 4.329 3.699 1.00 74.53 H new ATOM 0 HB2 LEU A 114 -11.228 5.299 1.890 1.00 60.04 H new ATOM 0 HB3 LEU A 114 -10.044 5.891 3.039 1.00 60.04 H new ATOM 0 HG LEU A 114 -9.423 3.544 3.610 1.00 64.43 H new ATOM 0 HD11 LEU A 114 -10.189 1.657 2.196 1.00 53.40 H new ATOM 0 HD12 LEU A 114 -11.520 2.392 3.120 1.00 53.40 H new ATOM 0 HD13 LEU A 114 -11.340 2.746 1.386 1.00 53.40 H new ATOM 0 HD21 LEU A 114 -8.223 3.004 1.503 1.00 60.22 H new ATOM 0 HD22 LEU A 114 -9.221 4.199 0.642 1.00 60.22 H new ATOM 0 HD23 LEU A 114 -8.105 4.729 1.922 1.00 60.22 H new ATOM 1846 N TRP A 115 -10.406 5.547 5.904 1.00 53.54 N ATOM 1847 CA TRP A 115 -9.734 5.320 7.200 1.00 44.10 C ATOM 1848 C TRP A 115 -10.775 5.072 8.327 1.00 14.11 C ATOM 1849 O TRP A 115 -10.645 4.126 9.113 1.00 50.03 O ATOM 1850 CB TRP A 115 -8.825 6.532 7.544 1.00 2.43 C ATOM 1851 CG TRP A 115 -8.052 6.373 8.840 1.00 12.12 C ATOM 1852 CD1 TRP A 115 -6.856 5.730 9.015 1.00 4.31 C ATOM 1853 CD2 TRP A 115 -8.438 6.854 10.140 1.00 42.44 C ATOM 1854 NE1 TRP A 115 -6.485 5.781 10.334 1.00 21.03 N ATOM 1855 CE2 TRP A 115 -7.437 6.463 11.045 1.00 71.12 C ATOM 1856 CE3 TRP A 115 -9.538 7.578 10.620 1.00 2.40 C ATOM 1857 CZ2 TRP A 115 -7.500 6.766 12.404 1.00 30.13 C ATOM 1858 CZ3 TRP A 115 -9.600 7.879 11.968 1.00 53.20 C ATOM 1859 CH2 TRP A 115 -8.586 7.473 12.848 1.00 51.44 C ATOM 0 H TRP A 115 -10.221 6.467 5.505 1.00 53.54 H new ATOM 0 HA TRP A 115 -9.112 4.428 7.120 1.00 44.10 H new ATOM 0 HB2 TRP A 115 -8.119 6.687 6.728 1.00 2.43 H new ATOM 0 HB3 TRP A 115 -9.441 7.429 7.608 1.00 2.43 H new ATOM 0 HD1 TRP A 115 -6.288 5.253 8.230 1.00 4.31 H new ATOM 0 HE1 TRP A 115 -5.634 5.375 10.724 1.00 21.03 H new ATOM 0 HE3 TRP A 115 -10.323 7.895 9.949 1.00 2.40 H new ATOM 0 HZ2 TRP A 115 -6.720 6.454 13.083 1.00 30.13 H new ATOM 0 HZ3 TRP A 115 -10.443 8.436 12.350 1.00 53.20 H new ATOM 0 HH2 TRP A 115 -8.663 7.723 13.896 1.00 51.44 H new ATOM 1870 N ASP A 116 -11.807 5.941 8.372 1.00 31.44 N ATOM 1871 CA ASP A 116 -12.910 5.856 9.353 1.00 34.50 C ATOM 1872 C ASP A 116 -13.725 4.555 9.179 1.00 62.12 C ATOM 1873 O ASP A 116 -14.162 3.954 10.169 1.00 24.22 O ATOM 1874 CB ASP A 116 -13.826 7.101 9.243 1.00 3.04 C ATOM 1875 CG ASP A 116 -15.035 7.052 10.194 1.00 52.43 C ATOM 1876 OD1 ASP A 116 -14.830 7.035 11.426 1.00 13.32 O ATOM 1877 OD2 ASP A 116 -16.191 7.019 9.714 1.00 64.35 O ATOM 0 H ASP A 116 -11.899 6.725 7.726 1.00 31.44 H new ATOM 0 HA ASP A 116 -12.471 5.834 10.351 1.00 34.50 H new ATOM 0 HB2 ASP A 116 -13.240 7.995 9.457 1.00 3.04 H new ATOM 0 HB3 ASP A 116 -14.183 7.192 8.217 1.00 3.04 H new ATOM 1882 N SER A 117 -13.910 4.130 7.917 1.00 13.21 N ATOM 1883 CA SER A 117 -14.564 2.846 7.585 1.00 23.34 C ATOM 1884 C SER A 117 -13.837 1.681 8.275 1.00 63.30 C ATOM 1885 O SER A 117 -14.465 0.847 8.920 1.00 33.24 O ATOM 1886 CB SER A 117 -14.600 2.618 6.053 1.00 51.32 C ATOM 1887 OG SER A 117 -15.179 1.361 5.719 1.00 32.53 O ATOM 0 H SER A 117 -13.613 4.662 7.099 1.00 13.21 H new ATOM 0 HA SER A 117 -15.591 2.888 7.948 1.00 23.34 H new ATOM 0 HB2 SER A 117 -15.170 3.418 5.580 1.00 51.32 H new ATOM 0 HB3 SER A 117 -13.587 2.669 5.654 1.00 51.32 H new ATOM 0 HG SER A 117 -15.186 1.253 4.745 1.00 32.53 H new ATOM 1893 N GLN A 118 -12.494 1.684 8.188 1.00 25.52 N ATOM 1894 CA GLN A 118 -11.658 0.610 8.756 1.00 41.40 C ATOM 1895 C GLN A 118 -11.660 0.640 10.303 1.00 1.31 C ATOM 1896 O GLN A 118 -11.989 -0.362 10.926 1.00 64.23 O ATOM 1897 CB GLN A 118 -10.210 0.695 8.204 1.00 21.42 C ATOM 1898 CG GLN A 118 -10.101 0.676 6.660 1.00 64.21 C ATOM 1899 CD GLN A 118 -10.823 -0.503 5.994 1.00 62.04 C ATOM 1900 OE1 GLN A 118 -10.254 -1.571 5.797 1.00 10.13 O ATOM 1901 NE2 GLN A 118 -12.081 -0.309 5.632 1.00 23.11 N ATOM 0 H GLN A 118 -11.962 2.422 7.727 1.00 25.52 H new ATOM 0 HA GLN A 118 -12.091 -0.342 8.449 1.00 41.40 H new ATOM 0 HB2 GLN A 118 -9.748 1.610 8.575 1.00 21.42 H new ATOM 0 HB3 GLN A 118 -9.634 -0.139 8.605 1.00 21.42 H new ATOM 0 HG2 GLN A 118 -10.509 1.607 6.266 1.00 64.21 H new ATOM 0 HG3 GLN A 118 -9.048 0.647 6.381 1.00 64.21 H new ATOM 0 HE21 GLN A 118 -12.530 0.590 5.808 1.00 23.11 H new ATOM 0 HE22 GLN A 118 -12.602 -1.058 5.177 1.00 23.11 H new ATOM 1910 N VAL A 119 -11.362 1.811 10.907 1.00 33.32 N ATOM 1911 CA VAL A 119 -11.180 1.933 12.382 1.00 33.21 C ATOM 1912 C VAL A 119 -12.497 1.643 13.161 1.00 71.22 C ATOM 1913 O VAL A 119 -12.468 1.005 14.220 1.00 42.14 O ATOM 1914 CB VAL A 119 -10.575 3.334 12.793 1.00 31.32 C ATOM 1915 CG1 VAL A 119 -11.520 4.505 12.439 1.00 10.13 C ATOM 1916 CG2 VAL A 119 -10.175 3.368 14.295 1.00 74.41 C ATOM 0 H VAL A 119 -11.241 2.689 10.402 1.00 33.32 H new ATOM 0 HA VAL A 119 -10.457 1.168 12.665 1.00 33.21 H new ATOM 0 HB VAL A 119 -9.667 3.466 12.205 1.00 31.32 H new ATOM 0 HG11 VAL A 119 -11.061 5.447 12.740 1.00 10.13 H new ATOM 0 HG12 VAL A 119 -11.699 4.516 11.364 1.00 10.13 H new ATOM 0 HG13 VAL A 119 -12.468 4.379 12.963 1.00 10.13 H new ATOM 0 HG21 VAL A 119 -9.763 4.347 14.540 1.00 74.41 H new ATOM 0 HG22 VAL A 119 -11.055 3.180 14.910 1.00 74.41 H new ATOM 0 HG23 VAL A 119 -9.426 2.600 14.490 1.00 74.41 H new