USER MOD reduce.3.24.130724 H: found=0, std=0, add=454, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 455 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 47 SER OG : rot -56:sc= 0.169 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0.045) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 55 GLN : amide:sc= -0.305 X(o=-0.3,f=-0.038) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.361 K(o=-0.36,f=-2.3!) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -1.35 X(o=-1.4,f=-0.87) USER MOD Single : A 81 GLN : amide:sc= -0.0436 X(o=-0.044,f=-0.3) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -80:sc= 1.27 USER MOD Single : A 93 SER OG : rot 25:sc= 0.244 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot -66:sc= 0.426 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 46 -4.810 5.519 -2.271 1.00 60.24 N ATOM 2 CA GLY A 46 -3.576 6.283 -2.303 1.00 74.52 C ATOM 3 C GLY A 46 -2.455 5.544 -3.007 1.00 53.02 C ATOM 4 O GLY A 46 -2.153 5.821 -4.168 1.00 0.23 O ATOM 0 HA2 GLY A 46 -3.753 7.233 -2.807 1.00 74.52 H new ATOM 0 HA3 GLY A 46 -3.270 6.515 -1.283 1.00 74.52 H new ATOM 8 N SER A 47 -1.836 4.602 -2.303 1.00 43.02 N ATOM 9 CA SER A 47 -0.738 3.825 -2.866 1.00 44.01 C ATOM 10 C SER A 47 0.416 4.734 -3.277 1.00 44.31 C ATOM 11 O SER A 47 0.982 4.587 -4.360 1.00 33.03 O ATOM 12 CB SER A 47 -1.221 3.019 -4.073 1.00 34.10 C ATOM 13 OG SER A 47 -0.272 2.033 -4.441 1.00 54.14 O ATOM 0 H SER A 47 -2.076 4.358 -1.342 1.00 43.02 H new ATOM 0 HA SER A 47 -0.382 3.138 -2.098 1.00 44.01 H new ATOM 0 HB2 SER A 47 -2.173 2.542 -3.839 1.00 34.10 H new ATOM 0 HB3 SER A 47 -1.399 3.689 -4.914 1.00 34.10 H new ATOM 0 HG SER A 47 0.592 2.460 -4.616 1.00 54.14 H new ATOM 19 N ASN A 48 0.760 5.675 -2.404 1.00 2.24 N ATOM 20 CA ASN A 48 1.846 6.610 -2.675 1.00 24.12 C ATOM 21 C ASN A 48 1.635 7.317 -4.010 1.00 14.42 C ATOM 22 O ASN A 48 2.372 7.111 -4.974 1.00 73.30 O ATOM 23 CB ASN A 48 3.189 5.876 -2.681 1.00 51.01 C ATOM 24 CG ASN A 48 4.350 6.792 -2.344 1.00 32.53 C ATOM 25 OD1 ASN A 48 4.834 7.538 -3.195 1.00 20.32 O ATOM 26 ND2 ASN A 48 4.802 6.738 -1.096 1.00 62.03 N ATOM 0 H ASN A 48 0.302 5.810 -1.503 1.00 2.24 H new ATOM 0 HA ASN A 48 1.852 7.360 -1.884 1.00 24.12 H new ATOM 0 HB2 ASN A 48 3.156 5.057 -1.963 1.00 51.01 H new ATOM 0 HB3 ASN A 48 3.353 5.432 -3.663 1.00 51.01 H new ATOM 0 HD21 ASN A 48 5.581 7.331 -0.810 1.00 62.03 H new ATOM 0 HD22 ASN A 48 4.370 6.104 -0.424 1.00 62.03 H new ATOM 33 N PRO A 49 0.604 8.173 -4.069 1.00 14.32 N ATOM 34 CA PRO A 49 0.271 8.930 -5.280 1.00 21.14 C ATOM 35 C PRO A 49 1.307 10.003 -5.595 1.00 42.32 C ATOM 36 O PRO A 49 2.389 10.027 -5.008 1.00 12.34 O ATOM 37 CB PRO A 49 -1.076 9.571 -4.938 1.00 53.24 C ATOM 38 CG PRO A 49 -1.087 9.662 -3.451 1.00 44.55 C ATOM 39 CD PRO A 49 -0.317 8.469 -2.958 1.00 22.21 C ATOM 0 HA PRO A 49 0.243 8.293 -6.164 1.00 21.14 H new ATOM 0 HB2 PRO A 49 -1.173 10.556 -5.395 1.00 53.24 H new ATOM 0 HB3 PRO A 49 -1.906 8.966 -5.304 1.00 53.24 H new ATOM 0 HG2 PRO A 49 -0.627 10.590 -3.113 1.00 44.55 H new ATOM 0 HG3 PRO A 49 -2.107 9.654 -3.067 1.00 44.55 H new ATOM 0 HD2 PRO A 49 0.223 8.692 -2.037 1.00 22.21 H new ATOM 0 HD3 PRO A 49 -0.975 7.626 -2.746 1.00 22.21 H new ATOM 47 N ASP A 50 0.970 10.889 -6.525 1.00 54.54 N ATOM 48 CA ASP A 50 1.871 11.967 -6.918 1.00 35.11 C ATOM 49 C ASP A 50 1.228 13.329 -6.674 1.00 31.32 C ATOM 50 O ASP A 50 0.011 13.452 -6.536 1.00 53.42 O ATOM 51 CB ASP A 50 2.255 11.827 -8.392 1.00 2.43 C ATOM 52 CG ASP A 50 1.156 11.191 -9.219 1.00 53.23 C ATOM 53 OD1 ASP A 50 0.966 9.962 -9.109 1.00 3.02 O ATOM 54 OD2 ASP A 50 0.485 11.922 -9.978 1.00 42.51 O ATOM 0 H ASP A 50 0.079 10.882 -7.021 1.00 54.54 H new ATOM 0 HA ASP A 50 2.771 11.896 -6.308 1.00 35.11 H new ATOM 0 HB2 ASP A 50 2.488 12.811 -8.799 1.00 2.43 H new ATOM 0 HB3 ASP A 50 3.161 11.226 -8.473 1.00 2.43 H new ATOM 59 N PRO A 51 2.064 14.376 -6.617 1.00 53.35 N ATOM 60 CA PRO A 51 1.600 15.748 -6.389 1.00 75.11 C ATOM 61 C PRO A 51 0.826 16.304 -7.580 1.00 22.01 C ATOM 62 O PRO A 51 0.251 17.389 -7.505 1.00 14.12 O ATOM 63 CB PRO A 51 2.898 16.532 -6.181 1.00 72.34 C ATOM 64 CG PRO A 51 3.936 15.743 -6.903 1.00 12.41 C ATOM 65 CD PRO A 51 3.526 14.302 -6.773 1.00 1.41 C ATOM 0 HA PRO A 51 0.910 15.810 -5.548 1.00 75.11 H new ATOM 0 HB2 PRO A 51 2.819 17.543 -6.582 1.00 72.34 H new ATOM 0 HB3 PRO A 51 3.138 16.627 -5.122 1.00 72.34 H new ATOM 0 HG2 PRO A 51 3.993 16.039 -7.950 1.00 12.41 H new ATOM 0 HG3 PRO A 51 4.923 15.908 -6.471 1.00 12.41 H new ATOM 0 HD2 PRO A 51 3.807 13.723 -7.653 1.00 1.41 H new ATOM 0 HD3 PRO A 51 3.998 13.826 -5.914 1.00 1.41 H new ATOM 73 N GLN A 52 0.817 15.553 -8.677 1.00 4.33 N ATOM 74 CA GLN A 52 0.114 15.973 -9.883 1.00 63.22 C ATOM 75 C GLN A 52 -1.308 15.422 -9.904 1.00 1.53 C ATOM 76 O GLN A 52 -2.219 16.053 -10.439 1.00 31.14 O ATOM 77 CB GLN A 52 0.872 15.508 -11.128 1.00 72.41 C ATOM 78 CG GLN A 52 2.360 15.817 -11.086 1.00 34.31 C ATOM 79 CD GLN A 52 3.106 15.257 -12.281 1.00 50.51 C ATOM 80 OE1 GLN A 52 2.555 14.485 -13.066 1.00 31.13 O ATOM 81 NE2 GLN A 52 4.368 15.646 -12.426 1.00 75.22 N ATOM 0 H GLN A 52 1.288 14.652 -8.755 1.00 4.33 H new ATOM 0 HA GLN A 52 0.062 17.062 -9.883 1.00 63.22 H new ATOM 0 HB2 GLN A 52 0.736 14.433 -11.245 1.00 72.41 H new ATOM 0 HB3 GLN A 52 0.436 15.982 -12.007 1.00 72.41 H new ATOM 0 HG2 GLN A 52 2.502 16.897 -11.047 1.00 34.31 H new ATOM 0 HG3 GLN A 52 2.787 15.406 -10.171 1.00 34.31 H new ATOM 0 HE21 GLN A 52 4.785 16.287 -11.751 1.00 75.22 H new ATOM 0 HE22 GLN A 52 4.920 15.303 -13.212 1.00 75.22 H new ATOM 90 N GLU A 53 -1.489 14.243 -9.318 1.00 33.01 N ATOM 91 CA GLU A 53 -2.801 13.608 -9.271 1.00 12.14 C ATOM 92 C GLU A 53 -3.562 14.024 -8.015 1.00 21.43 C ATOM 93 O GLU A 53 -4.792 14.003 -7.985 1.00 74.41 O ATOM 94 CB GLU A 53 -2.657 12.085 -9.313 1.00 12.35 C ATOM 95 CG GLU A 53 -3.880 11.373 -9.865 1.00 54.33 C ATOM 96 CD GLU A 53 -4.275 11.874 -11.241 1.00 50.20 C ATOM 97 OE1 GLU A 53 -3.635 11.458 -12.229 1.00 43.13 O ATOM 98 OE2 GLU A 53 -5.223 12.682 -11.330 1.00 31.24 O ATOM 0 H GLU A 53 -0.745 13.709 -8.870 1.00 33.01 H new ATOM 0 HA GLU A 53 -3.367 13.936 -10.143 1.00 12.14 H new ATOM 0 HB2 GLU A 53 -1.791 11.827 -9.923 1.00 12.35 H new ATOM 0 HB3 GLU A 53 -2.458 11.719 -8.306 1.00 12.35 H new ATOM 0 HG2 GLU A 53 -3.681 10.303 -9.916 1.00 54.33 H new ATOM 0 HG3 GLU A 53 -4.716 11.510 -9.179 1.00 54.33 H new ATOM 105 N VAL A 54 -2.820 14.401 -6.978 1.00 61.32 N ATOM 106 CA VAL A 54 -3.423 14.822 -5.719 1.00 60.33 C ATOM 107 C VAL A 54 -3.831 16.290 -5.769 1.00 75.44 C ATOM 108 O VAL A 54 -4.935 16.651 -5.362 1.00 30.44 O ATOM 109 CB VAL A 54 -2.460 14.608 -4.536 1.00 43.45 C ATOM 110 CG1 VAL A 54 -3.122 15.014 -3.229 1.00 2.15 C ATOM 111 CG2 VAL A 54 -1.996 13.161 -4.482 1.00 63.32 C ATOM 0 H VAL A 54 -1.800 14.423 -6.985 1.00 61.32 H new ATOM 0 HA VAL A 54 -4.310 14.206 -5.571 1.00 60.33 H new ATOM 0 HB VAL A 54 -1.585 15.240 -4.683 1.00 43.45 H new ATOM 0 HG11 VAL A 54 -2.427 14.856 -2.405 1.00 2.15 H new ATOM 0 HG12 VAL A 54 -3.399 16.067 -3.273 1.00 2.15 H new ATOM 0 HG13 VAL A 54 -4.016 14.410 -3.071 1.00 2.15 H new ATOM 0 HG21 VAL A 54 -1.316 13.028 -3.640 1.00 63.32 H new ATOM 0 HG22 VAL A 54 -2.859 12.507 -4.359 1.00 63.32 H new ATOM 0 HG23 VAL A 54 -1.480 12.910 -5.408 1.00 63.32 H new ATOM 121 N GLN A 55 -2.934 17.131 -6.273 1.00 11.03 N ATOM 122 CA GLN A 55 -3.202 18.561 -6.376 1.00 22.40 C ATOM 123 C GLN A 55 -4.479 18.819 -7.169 1.00 2.54 C ATOM 124 O GLN A 55 -5.210 19.771 -6.893 1.00 21.11 O ATOM 125 CB GLN A 55 -2.023 19.275 -7.038 1.00 44.24 C ATOM 126 CG GLN A 55 -1.905 19.002 -8.529 1.00 54.22 C ATOM 127 CD GLN A 55 -0.822 19.830 -9.191 1.00 4.43 C ATOM 128 OE1 GLN A 55 -1.020 20.382 -10.274 1.00 24.32 O ATOM 129 NE2 GLN A 55 0.333 19.922 -8.541 1.00 51.52 N ATOM 0 H GLN A 55 -2.016 16.848 -6.616 1.00 11.03 H new ATOM 0 HA GLN A 55 -3.336 18.954 -5.368 1.00 22.40 H new ATOM 0 HB2 GLN A 55 -2.125 20.349 -6.881 1.00 44.24 H new ATOM 0 HB3 GLN A 55 -1.100 18.967 -6.547 1.00 44.24 H new ATOM 0 HG2 GLN A 55 -1.694 17.944 -8.685 1.00 54.22 H new ATOM 0 HG3 GLN A 55 -2.861 19.211 -9.009 1.00 54.22 H new ATOM 0 HE21 GLN A 55 0.454 19.448 -7.646 1.00 51.52 H new ATOM 0 HE22 GLN A 55 1.099 20.467 -8.937 1.00 51.52 H new ATOM 138 N ARG A 56 -4.741 17.967 -8.154 1.00 43.10 N ATOM 139 CA ARG A 56 -5.929 18.105 -8.988 1.00 22.13 C ATOM 140 C ARG A 56 -7.181 17.686 -8.223 1.00 70.42 C ATOM 141 O ARG A 56 -8.297 18.047 -8.595 1.00 72.50 O ATOM 142 CB ARG A 56 -5.787 17.263 -10.257 1.00 75.02 C ATOM 143 CG ARG A 56 -4.678 17.736 -11.182 1.00 2.54 C ATOM 144 CD ARG A 56 -5.055 19.029 -11.888 1.00 50.04 C ATOM 145 NE ARG A 56 -3.882 19.745 -12.383 1.00 71.44 N ATOM 146 CZ ARG A 56 -3.949 20.888 -13.056 1.00 4.32 C ATOM 147 NH1 ARG A 56 -5.125 21.443 -13.312 1.00 12.35 N ATOM 148 NH2 ARG A 56 -2.836 21.479 -13.473 1.00 55.54 N ATOM 0 H ARG A 56 -4.147 17.174 -8.394 1.00 43.10 H new ATOM 0 HA ARG A 56 -6.028 19.154 -9.266 1.00 22.13 H new ATOM 0 HB2 ARG A 56 -5.597 16.227 -9.976 1.00 75.02 H new ATOM 0 HB3 ARG A 56 -6.732 17.278 -10.800 1.00 75.02 H new ATOM 0 HG2 ARG A 56 -3.764 17.887 -10.608 1.00 2.54 H new ATOM 0 HG3 ARG A 56 -4.466 16.964 -11.922 1.00 2.54 H new ATOM 0 HD2 ARG A 56 -5.722 18.806 -12.721 1.00 50.04 H new ATOM 0 HD3 ARG A 56 -5.607 19.670 -11.200 1.00 50.04 H new ATOM 0 HE ARG A 56 -2.961 19.345 -12.202 1.00 71.44 H new ATOM 0 HH11 ARG A 56 -5.982 20.992 -12.992 1.00 12.35 H new ATOM 0 HH12 ARG A 56 -5.173 22.321 -13.829 1.00 12.35 H new ATOM 0 HH21 ARG A 56 -1.929 21.055 -13.277 1.00 55.54 H new ATOM 0 HH22 ARG A 56 -2.888 22.357 -13.990 1.00 55.54 H new ATOM 162 N ALA A 57 -6.987 16.921 -7.154 1.00 2.04 N ATOM 163 CA ALA A 57 -8.100 16.454 -6.336 1.00 64.13 C ATOM 164 C ALA A 57 -8.459 17.475 -5.262 1.00 43.45 C ATOM 165 O ALA A 57 -9.575 17.478 -4.742 1.00 53.13 O ATOM 166 CB ALA A 57 -7.761 15.114 -5.700 1.00 73.35 C ATOM 0 H ALA A 57 -6.069 16.611 -6.834 1.00 2.04 H new ATOM 0 HA ALA A 57 -8.967 16.328 -6.984 1.00 64.13 H new ATOM 0 HB1 ALA A 57 -8.601 14.777 -5.092 1.00 73.35 H new ATOM 0 HB2 ALA A 57 -7.561 14.381 -6.481 1.00 73.35 H new ATOM 0 HB3 ALA A 57 -6.878 15.223 -5.070 1.00 73.35 H new ATOM 172 N LEU A 58 -7.506 18.341 -4.934 1.00 53.21 N ATOM 173 CA LEU A 58 -7.722 19.368 -3.921 1.00 11.22 C ATOM 174 C LEU A 58 -8.985 20.170 -4.218 1.00 73.33 C ATOM 175 O LEU A 58 -9.799 20.418 -3.329 1.00 24.12 O ATOM 176 CB LEU A 58 -6.515 20.305 -3.851 1.00 22.15 C ATOM 177 CG LEU A 58 -5.573 20.098 -2.664 1.00 21.11 C ATOM 178 CD1 LEU A 58 -4.416 21.084 -2.722 1.00 72.52 C ATOM 179 CD2 LEU A 58 -6.330 20.238 -1.351 1.00 41.23 C ATOM 0 H LEU A 58 -6.577 18.352 -5.355 1.00 53.21 H new ATOM 0 HA LEU A 58 -7.847 18.872 -2.958 1.00 11.22 H new ATOM 0 HB2 LEU A 58 -5.939 20.193 -4.770 1.00 22.15 H new ATOM 0 HB3 LEU A 58 -6.879 21.332 -3.826 1.00 22.15 H new ATOM 0 HG LEU A 58 -5.166 19.088 -2.720 1.00 21.11 H new ATOM 0 HD11 LEU A 58 -3.756 20.922 -1.870 1.00 72.52 H new ATOM 0 HD12 LEU A 58 -3.858 20.936 -3.646 1.00 72.52 H new ATOM 0 HD13 LEU A 58 -4.804 22.102 -2.692 1.00 72.52 H new ATOM 0 HD21 LEU A 58 -5.644 20.088 -0.518 1.00 41.23 H new ATOM 0 HD22 LEU A 58 -6.766 21.235 -1.287 1.00 41.23 H new ATOM 0 HD23 LEU A 58 -7.123 19.492 -1.307 1.00 41.23 H new ATOM 191 N ALA A 59 -9.143 20.570 -5.476 1.00 15.03 N ATOM 192 CA ALA A 59 -10.310 21.339 -5.891 1.00 45.54 C ATOM 193 C ALA A 59 -11.549 20.455 -5.976 1.00 11.30 C ATOM 194 O ALA A 59 -12.676 20.951 -6.004 1.00 63.23 O ATOM 195 CB ALA A 59 -10.047 22.013 -7.230 1.00 53.41 C ATOM 0 H ALA A 59 -8.478 20.374 -6.224 1.00 15.03 H new ATOM 0 HA ALA A 59 -10.495 22.106 -5.139 1.00 45.54 H new ATOM 0 HB1 ALA A 59 -10.926 22.584 -7.529 1.00 53.41 H new ATOM 0 HB2 ALA A 59 -9.193 22.684 -7.138 1.00 53.41 H new ATOM 0 HB3 ALA A 59 -9.834 21.255 -7.983 1.00 53.41 H new ATOM 201 N ARG A 60 -11.334 19.145 -6.017 1.00 24.53 N ATOM 202 CA ARG A 60 -12.434 18.192 -6.100 1.00 62.41 C ATOM 203 C ARG A 60 -13.064 17.968 -4.729 1.00 35.12 C ATOM 204 O ARG A 60 -14.066 17.262 -4.603 1.00 3.20 O ATOM 205 CB ARG A 60 -11.941 16.860 -6.670 1.00 53.21 C ATOM 206 CG ARG A 60 -11.330 16.980 -8.057 1.00 1.05 C ATOM 207 CD ARG A 60 -10.896 15.625 -8.593 1.00 23.00 C ATOM 208 NE ARG A 60 -10.035 15.751 -9.766 1.00 71.01 N ATOM 209 CZ ARG A 60 -9.535 14.712 -10.425 1.00 44.04 C ATOM 210 NH1 ARG A 60 -9.808 13.477 -10.029 1.00 21.23 N ATOM 211 NH2 ARG A 60 -8.759 14.908 -11.484 1.00 71.42 N ATOM 0 H ARG A 60 -10.408 18.719 -5.994 1.00 24.53 H new ATOM 0 HA ARG A 60 -13.191 18.607 -6.765 1.00 62.41 H new ATOM 0 HB2 ARG A 60 -11.201 16.436 -5.992 1.00 53.21 H new ATOM 0 HB3 ARG A 60 -12.776 16.160 -6.709 1.00 53.21 H new ATOM 0 HG2 ARG A 60 -12.055 17.427 -8.738 1.00 1.05 H new ATOM 0 HG3 ARG A 60 -10.471 17.650 -8.021 1.00 1.05 H new ATOM 0 HD2 ARG A 60 -10.367 15.079 -7.812 1.00 23.00 H new ATOM 0 HD3 ARG A 60 -11.777 15.038 -8.852 1.00 23.00 H new ATOM 0 HE ARG A 60 -9.805 16.688 -10.097 1.00 71.01 H new ATOM 0 HH11 ARG A 60 -10.404 13.322 -9.216 1.00 21.23 H new ATOM 0 HH12 ARG A 60 -9.422 12.681 -10.538 1.00 21.23 H new ATOM 0 HH21 ARG A 60 -8.546 15.857 -11.792 1.00 71.42 H new ATOM 0 HH22 ARG A 60 -8.375 14.110 -11.990 1.00 71.42 H new ATOM 225 N ILE A 61 -12.472 18.573 -3.705 1.00 23.20 N ATOM 226 CA ILE A 61 -12.976 18.440 -2.344 1.00 22.12 C ATOM 227 C ILE A 61 -14.323 19.136 -2.186 1.00 54.03 C ATOM 228 O ILE A 61 -15.030 18.928 -1.199 1.00 55.13 O ATOM 229 CB ILE A 61 -11.986 19.023 -1.318 1.00 34.14 C ATOM 230 CG1 ILE A 61 -10.613 18.367 -1.472 1.00 4.24 C ATOM 231 CG2 ILE A 61 -12.515 18.831 0.096 1.00 53.50 C ATOM 232 CD1 ILE A 61 -9.507 19.102 -0.746 1.00 54.53 C ATOM 0 H ILE A 61 -11.643 19.160 -3.792 1.00 23.20 H new ATOM 0 HA ILE A 61 -13.097 17.373 -2.155 1.00 22.12 H new ATOM 0 HB ILE A 61 -11.880 20.092 -1.504 1.00 34.14 H new ATOM 0 HG12 ILE A 61 -10.664 17.344 -1.099 1.00 4.24 H new ATOM 0 HG13 ILE A 61 -10.364 18.308 -2.532 1.00 4.24 H new ATOM 0 HG21 ILE A 61 -11.805 19.248 0.810 1.00 53.50 H new ATOM 0 HG22 ILE A 61 -13.473 19.340 0.198 1.00 53.50 H new ATOM 0 HG23 ILE A 61 -12.646 17.767 0.294 1.00 53.50 H new ATOM 0 HD11 ILE A 61 -8.562 18.581 -0.899 1.00 54.53 H new ATOM 0 HD12 ILE A 61 -9.428 20.117 -1.135 1.00 54.53 H new ATOM 0 HD13 ILE A 61 -9.733 19.138 0.320 1.00 54.53 H new ATOM 244 N LEU A 62 -14.674 19.962 -3.166 1.00 33.12 N ATOM 245 CA LEU A 62 -15.939 20.688 -3.138 1.00 12.33 C ATOM 246 C LEU A 62 -17.043 19.886 -3.820 1.00 42.51 C ATOM 247 O LEU A 62 -18.205 19.942 -3.417 1.00 51.12 O ATOM 248 CB LEU A 62 -15.784 22.048 -3.821 1.00 12.21 C ATOM 249 CG LEU A 62 -15.166 23.159 -2.972 1.00 11.44 C ATOM 250 CD1 LEU A 62 -15.015 24.434 -3.788 1.00 22.42 C ATOM 251 CD2 LEU A 62 -16.010 23.415 -1.732 1.00 15.23 C ATOM 0 H LEU A 62 -14.101 20.145 -3.989 1.00 33.12 H new ATOM 0 HA LEU A 62 -16.219 20.841 -2.096 1.00 12.33 H new ATOM 0 HB2 LEU A 62 -15.171 21.916 -4.713 1.00 12.21 H new ATOM 0 HB3 LEU A 62 -16.767 22.378 -4.156 1.00 12.21 H new ATOM 0 HG LEU A 62 -14.175 22.837 -2.653 1.00 11.44 H new ATOM 0 HD11 LEU A 62 -14.574 25.213 -3.167 1.00 22.42 H new ATOM 0 HD12 LEU A 62 -14.369 24.243 -4.645 1.00 22.42 H new ATOM 0 HD13 LEU A 62 -15.994 24.760 -4.138 1.00 22.42 H new ATOM 0 HD21 LEU A 62 -15.555 24.209 -1.140 1.00 15.23 H new ATOM 0 HD22 LEU A 62 -17.014 23.716 -2.031 1.00 15.23 H new ATOM 0 HD23 LEU A 62 -16.066 22.504 -1.136 1.00 15.23 H new ATOM 263 N CYS A 63 -16.671 19.139 -4.854 1.00 52.43 N ATOM 264 CA CYS A 63 -17.628 18.324 -5.592 1.00 52.03 C ATOM 265 C CYS A 63 -17.729 16.925 -4.991 1.00 2.21 C ATOM 266 O CYS A 63 -18.825 16.404 -4.785 1.00 5.32 O ATOM 267 CB CYS A 63 -17.222 18.230 -7.064 1.00 42.23 C ATOM 268 SG CYS A 63 -16.775 19.829 -7.816 1.00 32.44 S ATOM 0 H CYS A 63 -15.713 19.081 -5.200 1.00 52.43 H new ATOM 0 HA CYS A 63 -18.605 18.802 -5.521 1.00 52.03 H new ATOM 0 HB2 CYS A 63 -16.375 17.549 -7.154 1.00 42.23 H new ATOM 0 HB3 CYS A 63 -18.045 17.792 -7.629 1.00 42.23 H new ATOM 273 N ALA A 64 -16.577 16.323 -4.712 1.00 14.15 N ATOM 274 CA ALA A 64 -16.535 14.986 -4.132 1.00 13.41 C ATOM 275 C ALA A 64 -17.512 14.862 -2.967 1.00 60.03 C ATOM 276 O ALA A 64 -18.616 14.339 -3.123 1.00 55.40 O ATOM 277 CB ALA A 64 -15.122 14.653 -3.676 1.00 75.12 C ATOM 0 H ALA A 64 -15.661 16.740 -4.878 1.00 14.15 H new ATOM 0 HA ALA A 64 -16.835 14.274 -4.901 1.00 13.41 H new ATOM 0 HB1 ALA A 64 -15.105 13.652 -3.245 1.00 75.12 H new ATOM 0 HB2 ALA A 64 -14.445 14.692 -4.530 1.00 75.12 H new ATOM 0 HB3 ALA A 64 -14.802 15.376 -2.926 1.00 75.12 H new ATOM 283 N LEU A 65 -17.099 15.344 -1.801 1.00 5.23 N ATOM 284 CA LEU A 65 -17.937 15.286 -0.608 1.00 53.44 C ATOM 285 C LEU A 65 -18.347 13.850 -0.300 1.00 24.13 C ATOM 286 O LEU A 65 -19.530 13.515 -0.311 1.00 33.15 O ATOM 287 CB LEU A 65 -19.183 16.155 -0.794 1.00 63.14 C ATOM 288 CG LEU A 65 -19.040 17.626 -0.401 1.00 72.32 C ATOM 289 CD1 LEU A 65 -17.822 18.242 -1.071 1.00 23.30 C ATOM 290 CD2 LEU A 65 -20.299 18.399 -0.765 1.00 11.32 C ATOM 0 H LEU A 65 -16.188 15.780 -1.655 1.00 5.23 H new ATOM 0 HA LEU A 65 -17.357 15.667 0.233 1.00 53.44 H new ATOM 0 HB2 LEU A 65 -19.482 16.107 -1.841 1.00 63.14 H new ATOM 0 HB3 LEU A 65 -19.995 15.721 -0.210 1.00 63.14 H new ATOM 0 HG LEU A 65 -18.902 17.682 0.679 1.00 72.32 H new ATOM 0 HD11 LEU A 65 -17.737 19.289 -0.779 1.00 23.30 H new ATOM 0 HD12 LEU A 65 -16.926 17.705 -0.761 1.00 23.30 H new ATOM 0 HD13 LEU A 65 -17.929 18.175 -2.154 1.00 23.30 H new ATOM 0 HD21 LEU A 65 -20.180 19.444 -0.478 1.00 11.32 H new ATOM 0 HD22 LEU A 65 -20.468 18.335 -1.840 1.00 11.32 H new ATOM 0 HD23 LEU A 65 -21.153 17.973 -0.238 1.00 11.32 H new ATOM 302 N GLY A 66 -17.358 13.005 -0.022 1.00 72.34 N ATOM 303 CA GLY A 66 -17.636 11.614 0.288 1.00 50.53 C ATOM 304 C GLY A 66 -16.593 10.674 -0.282 1.00 70.32 C ATOM 305 O GLY A 66 -16.465 9.535 0.166 1.00 60.11 O ATOM 0 H GLY A 66 -16.370 13.259 -0.006 1.00 72.34 H new ATOM 0 HA2 GLY A 66 -17.682 11.488 1.370 1.00 50.53 H new ATOM 0 HA3 GLY A 66 -18.616 11.346 -0.106 1.00 50.53 H new ATOM 309 N GLU A 67 -15.847 11.150 -1.274 1.00 52.21 N ATOM 310 CA GLU A 67 -14.812 10.342 -1.907 1.00 71.52 C ATOM 311 C GLU A 67 -13.430 10.944 -1.671 1.00 12.30 C ATOM 312 O GLU A 67 -12.430 10.228 -1.607 1.00 74.30 O ATOM 313 CB GLU A 67 -15.077 10.219 -3.409 1.00 70.32 C ATOM 314 CG GLU A 67 -15.432 11.538 -4.075 1.00 23.15 C ATOM 315 CD GLU A 67 -15.892 11.363 -5.509 1.00 33.34 C ATOM 316 OE1 GLU A 67 -16.072 10.204 -5.937 1.00 74.12 O ATOM 317 OE2 GLU A 67 -16.073 12.386 -6.202 1.00 61.41 O ATOM 0 H GLU A 67 -15.940 12.091 -1.656 1.00 52.21 H new ATOM 0 HA GLU A 67 -14.838 9.349 -1.458 1.00 71.52 H new ATOM 0 HB2 GLU A 67 -14.193 9.804 -3.893 1.00 70.32 H new ATOM 0 HB3 GLU A 67 -15.890 9.511 -3.569 1.00 70.32 H new ATOM 0 HG2 GLU A 67 -16.219 12.029 -3.503 1.00 23.15 H new ATOM 0 HG3 GLU A 67 -14.564 12.197 -4.054 1.00 23.15 H new ATOM 324 N LEU A 68 -13.382 12.266 -1.543 1.00 21.43 N ATOM 325 CA LEU A 68 -12.123 12.967 -1.314 1.00 71.40 C ATOM 326 C LEU A 68 -11.605 12.709 0.097 1.00 21.13 C ATOM 327 O LEU A 68 -10.416 12.872 0.372 1.00 11.43 O ATOM 328 CB LEU A 68 -12.306 14.469 -1.536 1.00 44.01 C ATOM 329 CG LEU A 68 -11.367 15.116 -2.555 1.00 62.32 C ATOM 330 CD1 LEU A 68 -9.931 15.081 -2.056 1.00 21.35 C ATOM 331 CD2 LEU A 68 -11.482 14.419 -3.903 1.00 45.12 C ATOM 0 H LEU A 68 -14.200 12.873 -1.594 1.00 21.43 H new ATOM 0 HA LEU A 68 -11.389 12.587 -2.025 1.00 71.40 H new ATOM 0 HB2 LEU A 68 -13.333 14.646 -1.855 1.00 44.01 H new ATOM 0 HB3 LEU A 68 -12.177 14.976 -0.580 1.00 44.01 H new ATOM 0 HG LEU A 68 -11.661 16.158 -2.680 1.00 62.32 H new ATOM 0 HD11 LEU A 68 -9.278 15.546 -2.794 1.00 21.35 H new ATOM 0 HD12 LEU A 68 -9.860 15.626 -1.114 1.00 21.35 H new ATOM 0 HD13 LEU A 68 -9.625 14.046 -1.901 1.00 21.35 H new ATOM 0 HD21 LEU A 68 -10.807 14.892 -4.616 1.00 45.12 H new ATOM 0 HD22 LEU A 68 -11.215 13.368 -3.793 1.00 45.12 H new ATOM 0 HD23 LEU A 68 -12.507 14.497 -4.267 1.00 45.12 H new ATOM 343 N ASP A 69 -12.504 12.303 0.987 1.00 11.31 N ATOM 344 CA ASP A 69 -12.137 12.019 2.370 1.00 54.43 C ATOM 345 C ASP A 69 -11.100 10.903 2.438 1.00 32.24 C ATOM 346 O ASP A 69 -10.419 10.734 3.450 1.00 12.52 O ATOM 347 CB ASP A 69 -13.376 11.632 3.179 1.00 11.30 C ATOM 348 CG ASP A 69 -13.870 10.237 2.850 1.00 24.14 C ATOM 349 OD1 ASP A 69 -13.876 9.876 1.655 1.00 64.42 O ATOM 350 OD2 ASP A 69 -14.249 9.506 3.789 1.00 61.01 O ATOM 0 H ASP A 69 -13.492 12.163 0.776 1.00 11.31 H new ATOM 0 HA ASP A 69 -11.701 12.922 2.798 1.00 54.43 H new ATOM 0 HB2 ASP A 69 -13.145 11.691 4.243 1.00 11.30 H new ATOM 0 HB3 ASP A 69 -14.172 12.351 2.985 1.00 11.30 H new ATOM 355 N LYS A 70 -10.986 10.141 1.356 1.00 42.12 N ATOM 356 CA LYS A 70 -10.032 9.040 1.292 1.00 51.04 C ATOM 357 C LYS A 70 -8.657 9.536 0.855 1.00 73.23 C ATOM 358 O LYS A 70 -7.696 8.767 0.803 1.00 13.04 O ATOM 359 CB LYS A 70 -10.529 7.963 0.324 1.00 1.51 C ATOM 360 CG LYS A 70 -10.842 6.638 0.997 1.00 14.53 C ATOM 361 CD LYS A 70 -9.602 5.771 1.125 1.00 64.42 C ATOM 362 CE LYS A 70 -9.964 4.310 1.349 1.00 45.34 C ATOM 363 NZ LYS A 70 -8.753 3.451 1.465 1.00 32.53 N ATOM 0 H LYS A 70 -11.543 10.266 0.511 1.00 42.12 H new ATOM 0 HA LYS A 70 -9.943 8.610 2.290 1.00 51.04 H new ATOM 0 HB2 LYS A 70 -11.425 8.325 -0.180 1.00 1.51 H new ATOM 0 HB3 LYS A 70 -9.774 7.801 -0.445 1.00 1.51 H new ATOM 0 HG2 LYS A 70 -11.262 6.822 1.986 1.00 14.53 H new ATOM 0 HG3 LYS A 70 -11.600 6.107 0.422 1.00 14.53 H new ATOM 0 HD2 LYS A 70 -8.998 5.863 0.223 1.00 64.42 H new ATOM 0 HD3 LYS A 70 -8.992 6.127 1.955 1.00 64.42 H new ATOM 0 HE2 LYS A 70 -10.562 4.219 2.256 1.00 45.34 H new ATOM 0 HE3 LYS A 70 -10.582 3.958 0.523 1.00 45.34 H new ATOM 0 HZ1 LYS A 70 -9.041 2.463 1.617 1.00 32.53 H new ATOM 0 HZ2 LYS A 70 -8.195 3.518 0.590 1.00 32.53 H new ATOM 0 HZ3 LYS A 70 -8.176 3.771 2.269 1.00 32.53 H new ATOM 377 N LEU A 71 -8.570 10.824 0.542 1.00 20.02 N ATOM 378 CA LEU A 71 -7.312 11.423 0.111 1.00 4.01 C ATOM 379 C LEU A 71 -6.950 12.619 0.986 1.00 50.11 C ATOM 380 O LEU A 71 -5.848 12.694 1.529 1.00 64.12 O ATOM 381 CB LEU A 71 -7.406 11.857 -1.353 1.00 2.24 C ATOM 382 CG LEU A 71 -6.154 12.509 -1.941 1.00 61.34 C ATOM 383 CD1 LEU A 71 -6.062 12.236 -3.435 1.00 14.23 C ATOM 384 CD2 LEU A 71 -6.154 14.006 -1.670 1.00 22.14 C ATOM 0 H LEU A 71 -9.356 11.474 0.579 1.00 20.02 H new ATOM 0 HA LEU A 71 -6.528 10.673 0.211 1.00 4.01 H new ATOM 0 HB2 LEU A 71 -7.653 10.983 -1.955 1.00 2.24 H new ATOM 0 HB3 LEU A 71 -8.236 12.557 -1.451 1.00 2.24 H new ATOM 0 HG LEU A 71 -5.280 12.073 -1.458 1.00 61.34 H new ATOM 0 HD11 LEU A 71 -5.165 12.708 -3.836 1.00 14.23 H new ATOM 0 HD12 LEU A 71 -6.014 11.161 -3.606 1.00 14.23 H new ATOM 0 HD13 LEU A 71 -6.941 12.644 -3.934 1.00 14.23 H new ATOM 0 HD21 LEU A 71 -5.256 14.453 -2.096 1.00 22.14 H new ATOM 0 HD22 LEU A 71 -7.035 14.458 -2.125 1.00 22.14 H new ATOM 0 HD23 LEU A 71 -6.171 14.181 -0.594 1.00 22.14 H new ATOM 396 N VAL A 72 -7.887 13.552 1.120 1.00 10.41 N ATOM 397 CA VAL A 72 -7.669 14.744 1.932 1.00 63.31 C ATOM 398 C VAL A 72 -7.257 14.373 3.352 1.00 2.02 C ATOM 399 O VAL A 72 -6.603 15.153 4.045 1.00 52.31 O ATOM 400 CB VAL A 72 -8.932 15.623 1.989 1.00 43.55 C ATOM 401 CG1 VAL A 72 -10.039 14.920 2.759 1.00 62.24 C ATOM 402 CG2 VAL A 72 -8.612 16.974 2.612 1.00 34.22 C ATOM 0 H VAL A 72 -8.805 13.506 0.677 1.00 10.41 H new ATOM 0 HA VAL A 72 -6.865 15.307 1.458 1.00 63.31 H new ATOM 0 HB VAL A 72 -9.283 15.791 0.971 1.00 43.55 H new ATOM 0 HG11 VAL A 72 -10.923 15.557 2.788 1.00 62.24 H new ATOM 0 HG12 VAL A 72 -10.285 13.980 2.265 1.00 62.24 H new ATOM 0 HG13 VAL A 72 -9.703 14.718 3.776 1.00 62.24 H new ATOM 0 HG21 VAL A 72 -9.516 17.583 2.645 1.00 34.22 H new ATOM 0 HG22 VAL A 72 -8.236 16.828 3.625 1.00 34.22 H new ATOM 0 HG23 VAL A 72 -7.855 17.480 2.014 1.00 34.22 H new ATOM 412 N LYS A 73 -7.643 13.176 3.781 1.00 40.11 N ATOM 413 CA LYS A 73 -7.313 12.699 5.119 1.00 71.14 C ATOM 414 C LYS A 73 -6.193 11.665 5.067 1.00 43.15 C ATOM 415 O LYS A 73 -5.371 11.580 5.979 1.00 3.21 O ATOM 416 CB LYS A 73 -8.550 12.093 5.786 1.00 41.12 C ATOM 417 CG LYS A 73 -9.620 13.116 6.126 1.00 60.10 C ATOM 418 CD LYS A 73 -10.327 12.772 7.426 1.00 30.22 C ATOM 419 CE LYS A 73 -9.534 13.247 8.634 1.00 34.23 C ATOM 420 NZ LYS A 73 -10.028 14.557 9.141 1.00 11.04 N ATOM 0 H LYS A 73 -8.185 12.518 3.221 1.00 40.11 H new ATOM 0 HA LYS A 73 -6.971 13.551 5.707 1.00 71.14 H new ATOM 0 HB2 LYS A 73 -8.977 11.339 5.124 1.00 41.12 H new ATOM 0 HB3 LYS A 73 -8.246 11.580 6.699 1.00 41.12 H new ATOM 0 HG2 LYS A 73 -9.167 14.104 6.207 1.00 60.10 H new ATOM 0 HG3 LYS A 73 -10.348 13.165 5.317 1.00 60.10 H new ATOM 0 HD2 LYS A 73 -11.316 13.230 7.436 1.00 30.22 H new ATOM 0 HD3 LYS A 73 -10.474 11.694 7.487 1.00 30.22 H new ATOM 0 HE2 LYS A 73 -9.600 12.502 9.427 1.00 34.23 H new ATOM 0 HE3 LYS A 73 -8.481 13.335 8.366 1.00 34.23 H new ATOM 0 HZ1 LYS A 73 -9.462 14.846 9.964 1.00 11.04 H new ATOM 0 HZ2 LYS A 73 -9.942 15.274 8.392 1.00 11.04 H new ATOM 0 HZ3 LYS A 73 -11.026 14.467 9.421 1.00 11.04 H new ATOM 434 N ASP A 74 -6.166 10.883 3.993 1.00 24.44 N ATOM 435 CA ASP A 74 -5.144 9.856 3.821 1.00 12.03 C ATOM 436 C ASP A 74 -3.857 10.458 3.267 1.00 62.13 C ATOM 437 O ASP A 74 -2.894 9.742 2.994 1.00 62.02 O ATOM 438 CB ASP A 74 -5.650 8.754 2.889 1.00 40.55 C ATOM 439 CG ASP A 74 -4.812 7.494 2.974 1.00 34.30 C ATOM 440 OD1 ASP A 74 -4.878 6.808 4.015 1.00 22.04 O ATOM 441 OD2 ASP A 74 -4.091 7.193 2.000 1.00 42.12 O ATOM 0 H ASP A 74 -6.839 10.940 3.229 1.00 24.44 H new ATOM 0 HA ASP A 74 -4.930 9.424 4.798 1.00 12.03 H new ATOM 0 HB2 ASP A 74 -6.684 8.517 3.139 1.00 40.55 H new ATOM 0 HB3 ASP A 74 -5.647 9.120 1.862 1.00 40.55 H new ATOM 446 N GLN A 75 -3.849 11.777 3.102 1.00 31.22 N ATOM 447 CA GLN A 75 -2.680 12.474 2.578 1.00 34.13 C ATOM 448 C GLN A 75 -2.222 13.566 3.539 1.00 11.10 C ATOM 449 O GLN A 75 -1.135 13.488 4.110 1.00 21.42 O ATOM 450 CB GLN A 75 -2.993 13.081 1.209 1.00 35.44 C ATOM 451 CG GLN A 75 -1.775 13.654 0.505 1.00 5.21 C ATOM 452 CD GLN A 75 -0.785 12.585 0.087 1.00 22.42 C ATOM 453 OE1 GLN A 75 0.413 12.695 0.350 1.00 62.54 O ATOM 454 NE2 GLN A 75 -1.281 11.541 -0.567 1.00 15.30 N ATOM 0 H GLN A 75 -4.638 12.384 3.323 1.00 31.22 H new ATOM 0 HA GLN A 75 -1.874 11.749 2.470 1.00 34.13 H new ATOM 0 HB2 GLN A 75 -3.442 12.316 0.576 1.00 35.44 H new ATOM 0 HB3 GLN A 75 -3.736 13.869 1.332 1.00 35.44 H new ATOM 0 HG2 GLN A 75 -2.097 14.210 -0.376 1.00 5.21 H new ATOM 0 HG3 GLN A 75 -1.279 14.365 1.166 1.00 5.21 H new ATOM 0 HE21 GLN A 75 -2.281 11.490 -0.764 1.00 15.30 H new ATOM 0 HE22 GLN A 75 -0.662 10.790 -0.872 1.00 15.30 H new ATOM 463 N ALA A 76 -3.058 14.584 3.712 1.00 54.41 N ATOM 464 CA ALA A 76 -2.740 15.692 4.605 1.00 64.44 C ATOM 465 C ALA A 76 -2.734 15.239 6.061 1.00 62.33 C ATOM 466 O ALA A 76 -2.034 15.810 6.895 1.00 10.44 O ATOM 467 CB ALA A 76 -3.730 16.830 4.408 1.00 43.01 C ATOM 0 H ALA A 76 -3.961 14.665 3.245 1.00 54.41 H new ATOM 0 HA ALA A 76 -1.740 16.049 4.359 1.00 64.44 H new ATOM 0 HB1 ALA A 76 -3.480 17.650 5.081 1.00 43.01 H new ATOM 0 HB2 ALA A 76 -3.682 17.180 3.377 1.00 43.01 H new ATOM 0 HB3 ALA A 76 -4.738 16.477 4.625 1.00 43.01 H new ATOM 473 N ASN A 77 -3.519 14.208 6.358 1.00 10.52 N ATOM 474 CA ASN A 77 -3.605 13.680 7.715 1.00 61.33 C ATOM 475 C ASN A 77 -2.900 12.331 7.818 1.00 21.34 C ATOM 476 O ASN A 77 -2.993 11.647 8.837 1.00 4.25 O ATOM 477 CB ASN A 77 -5.069 13.537 8.137 1.00 64.41 C ATOM 478 CG ASN A 77 -5.551 14.716 8.959 1.00 11.01 C ATOM 479 OD1 ASN A 77 -5.312 14.786 10.165 1.00 45.04 O ATOM 480 ND2 ASN A 77 -6.235 15.650 8.309 1.00 74.03 N ATOM 0 H ASN A 77 -4.104 13.722 5.678 1.00 10.52 H new ATOM 0 HA ASN A 77 -3.108 14.382 8.384 1.00 61.33 H new ATOM 0 HB2 ASN A 77 -5.692 13.438 7.248 1.00 64.41 H new ATOM 0 HB3 ASN A 77 -5.190 12.621 8.715 1.00 64.41 H new ATOM 0 HD21 ASN A 77 -6.586 16.467 8.810 1.00 74.03 H new ATOM 0 HD22 ASN A 77 -6.410 15.551 7.309 1.00 74.03 H new ATOM 487 N ALA A 78 -2.195 11.955 6.756 1.00 22.45 N ATOM 488 CA ALA A 78 -1.472 10.689 6.729 1.00 41.23 C ATOM 489 C ALA A 78 -0.040 10.886 6.244 1.00 65.11 C ATOM 490 O ALA A 78 0.708 9.923 6.077 1.00 34.23 O ATOM 491 CB ALA A 78 -2.197 9.686 5.844 1.00 15.12 C ATOM 0 H ALA A 78 -2.109 12.508 5.904 1.00 22.45 H new ATOM 0 HA ALA A 78 -1.434 10.299 7.746 1.00 41.23 H new ATOM 0 HB1 ALA A 78 -1.646 8.746 5.833 1.00 15.12 H new ATOM 0 HB2 ALA A 78 -3.200 9.514 6.235 1.00 15.12 H new ATOM 0 HB3 ALA A 78 -2.265 10.078 4.829 1.00 15.12 H new ATOM 497 N GLY A 79 0.337 12.141 6.018 1.00 21.01 N ATOM 498 CA GLY A 79 1.679 12.441 5.554 1.00 71.34 C ATOM 499 C GLY A 79 1.692 13.021 4.153 1.00 15.45 C ATOM 500 O GLY A 79 1.824 12.290 3.173 1.00 23.50 O ATOM 0 H GLY A 79 -0.263 12.955 6.148 1.00 21.01 H new ATOM 0 HA2 GLY A 79 2.148 13.146 6.240 1.00 71.34 H new ATOM 0 HA3 GLY A 79 2.279 11.531 5.573 1.00 71.34 H new ATOM 504 N GLN A 80 1.551 14.340 4.060 1.00 24.30 N ATOM 505 CA GLN A 80 1.545 15.017 2.769 1.00 51.12 C ATOM 506 C GLN A 80 2.946 15.056 2.167 1.00 32.23 C ATOM 507 O GLN A 80 3.616 16.087 2.199 1.00 1.40 O ATOM 508 CB GLN A 80 1.002 16.439 2.918 1.00 54.30 C ATOM 509 CG GLN A 80 1.685 17.240 4.014 1.00 24.15 C ATOM 510 CD GLN A 80 0.883 17.273 5.300 1.00 34.11 C ATOM 511 OE1 GLN A 80 1.337 16.800 6.342 1.00 65.41 O ATOM 512 NE2 GLN A 80 -0.319 17.834 5.234 1.00 71.14 N ATOM 0 H GLN A 80 1.440 14.960 4.862 1.00 24.30 H new ATOM 0 HA GLN A 80 0.896 14.456 2.096 1.00 51.12 H new ATOM 0 HB2 GLN A 80 1.118 16.964 1.970 1.00 54.30 H new ATOM 0 HB3 GLN A 80 -0.067 16.391 3.127 1.00 54.30 H new ATOM 0 HG2 GLN A 80 2.667 16.811 4.214 1.00 24.15 H new ATOM 0 HG3 GLN A 80 1.848 18.260 3.666 1.00 24.15 H new ATOM 0 HE21 GLN A 80 -0.657 18.214 4.350 1.00 71.14 H new ATOM 0 HE22 GLN A 80 -0.904 17.885 6.068 1.00 71.14 H new ATOM 521 N GLN A 81 3.381 13.925 1.621 1.00 41.34 N ATOM 522 CA GLN A 81 4.703 13.831 1.013 1.00 62.31 C ATOM 523 C GLN A 81 4.635 14.110 -0.485 1.00 22.02 C ATOM 524 O GLN A 81 5.651 14.389 -1.120 1.00 4.41 O ATOM 525 CB GLN A 81 5.303 12.445 1.259 1.00 53.13 C ATOM 526 CG GLN A 81 6.605 12.205 0.513 1.00 64.21 C ATOM 527 CD GLN A 81 7.672 13.226 0.857 1.00 32.10 C ATOM 528 OE1 GLN A 81 7.812 13.629 2.012 1.00 54.30 O ATOM 529 NE2 GLN A 81 8.432 13.650 -0.146 1.00 75.21 N ATOM 0 H GLN A 81 2.838 13.062 1.587 1.00 41.34 H new ATOM 0 HA GLN A 81 5.342 14.583 1.475 1.00 62.31 H new ATOM 0 HB2 GLN A 81 5.477 12.318 2.327 1.00 53.13 H new ATOM 0 HB3 GLN A 81 4.579 11.687 0.962 1.00 53.13 H new ATOM 0 HG2 GLN A 81 6.974 11.206 0.747 1.00 64.21 H new ATOM 0 HG3 GLN A 81 6.415 12.232 -0.560 1.00 64.21 H new ATOM 0 HE21 GLN A 81 8.281 13.289 -1.088 1.00 75.21 H new ATOM 0 HE22 GLN A 81 9.167 14.337 0.026 1.00 75.21 H new ATOM 538 N GLU A 82 3.431 14.032 -1.042 1.00 71.14 N ATOM 539 CA GLU A 82 3.232 14.275 -2.466 1.00 52.33 C ATOM 540 C GLU A 82 3.360 15.762 -2.787 1.00 63.43 C ATOM 541 O GLU A 82 4.397 16.216 -3.271 1.00 4.35 O ATOM 542 CB GLU A 82 1.858 13.764 -2.907 1.00 5.14 C ATOM 543 CG GLU A 82 1.851 12.294 -3.290 1.00 75.21 C ATOM 544 CD GLU A 82 2.338 11.396 -2.170 1.00 1.04 C ATOM 545 OE1 GLU A 82 3.563 11.360 -1.928 1.00 34.13 O ATOM 546 OE2 GLU A 82 1.494 10.730 -1.534 1.00 62.43 O ATOM 0 H GLU A 82 2.579 13.803 -0.530 1.00 71.14 H new ATOM 0 HA GLU A 82 4.005 13.734 -3.012 1.00 52.33 H new ATOM 0 HB2 GLU A 82 1.144 13.924 -2.099 1.00 5.14 H new ATOM 0 HB3 GLU A 82 1.516 14.354 -3.757 1.00 5.14 H new ATOM 0 HG2 GLU A 82 0.840 12.001 -3.572 1.00 75.21 H new ATOM 0 HG3 GLU A 82 2.481 12.148 -4.167 1.00 75.21 H new ATOM 553 N PHE A 83 2.299 16.513 -2.516 1.00 12.42 N ATOM 554 CA PHE A 83 2.291 17.948 -2.777 1.00 2.13 C ATOM 555 C PHE A 83 3.020 18.706 -1.671 1.00 32.02 C ATOM 556 O PHE A 83 3.545 18.106 -0.733 1.00 23.11 O ATOM 557 CB PHE A 83 0.854 18.458 -2.898 1.00 52.24 C ATOM 558 CG PHE A 83 -0.017 18.082 -1.734 1.00 25.24 C ATOM 559 CD1 PHE A 83 0.196 18.641 -0.484 1.00 13.41 C ATOM 560 CD2 PHE A 83 -1.047 17.169 -1.888 1.00 72.14 C ATOM 561 CE1 PHE A 83 -0.603 18.296 0.590 1.00 52.04 C ATOM 562 CE2 PHE A 83 -1.850 16.820 -0.818 1.00 63.14 C ATOM 563 CZ PHE A 83 -1.628 17.385 0.422 1.00 41.20 C ATOM 0 H PHE A 83 1.433 16.152 -2.116 1.00 12.42 H new ATOM 0 HA PHE A 83 2.812 18.124 -3.718 1.00 2.13 H new ATOM 0 HB2 PHE A 83 0.869 19.544 -2.994 1.00 52.24 H new ATOM 0 HB3 PHE A 83 0.413 18.063 -3.813 1.00 52.24 H new ATOM 0 HD1 PHE A 83 0.995 19.354 -0.347 1.00 13.41 H new ATOM 0 HD2 PHE A 83 -1.225 16.724 -2.856 1.00 72.14 H new ATOM 0 HE1 PHE A 83 -0.426 18.738 1.559 1.00 52.04 H new ATOM 0 HE2 PHE A 83 -2.650 16.107 -0.952 1.00 63.14 H new ATOM 0 HZ PHE A 83 -2.255 17.115 1.259 1.00 41.20 H new ATOM 573 N LYS A 84 3.048 20.029 -1.788 1.00 14.21 N ATOM 574 CA LYS A 84 3.710 20.872 -0.799 1.00 64.54 C ATOM 575 C LYS A 84 3.062 22.251 -0.738 1.00 22.14 C ATOM 576 O LYS A 84 3.738 23.257 -0.516 1.00 63.54 O ATOM 577 CB LYS A 84 5.198 21.010 -1.132 1.00 32.21 C ATOM 578 CG LYS A 84 5.470 21.284 -2.601 1.00 13.31 C ATOM 579 CD LYS A 84 6.389 22.480 -2.784 1.00 24.12 C ATOM 580 CE LYS A 84 7.822 22.145 -2.399 1.00 63.22 C ATOM 581 NZ LYS A 84 8.801 23.045 -3.069 1.00 3.54 N ATOM 0 H LYS A 84 2.619 20.541 -2.559 1.00 14.21 H new ATOM 0 HA LYS A 84 3.604 20.397 0.176 1.00 64.54 H new ATOM 0 HB2 LYS A 84 5.622 21.818 -0.536 1.00 32.21 H new ATOM 0 HB3 LYS A 84 5.713 20.095 -0.840 1.00 32.21 H new ATOM 0 HG2 LYS A 84 5.921 20.404 -3.059 1.00 13.31 H new ATOM 0 HG3 LYS A 84 4.528 21.465 -3.119 1.00 13.31 H new ATOM 0 HD2 LYS A 84 6.357 22.809 -3.823 1.00 24.12 H new ATOM 0 HD3 LYS A 84 6.032 23.311 -2.175 1.00 24.12 H new ATOM 0 HE2 LYS A 84 7.936 22.225 -1.318 1.00 63.22 H new ATOM 0 HE3 LYS A 84 8.038 21.111 -2.666 1.00 63.22 H new ATOM 0 HZ1 LYS A 84 9.766 22.784 -2.781 1.00 3.54 H new ATOM 0 HZ2 LYS A 84 8.710 22.950 -4.101 1.00 3.54 H new ATOM 0 HZ3 LYS A 84 8.612 24.030 -2.794 1.00 3.54 H new ATOM 595 N LEU A 85 1.749 22.291 -0.933 1.00 12.52 N ATOM 596 CA LEU A 85 1.009 23.548 -0.898 1.00 14.14 C ATOM 597 C LEU A 85 -0.289 23.394 -0.111 1.00 20.23 C ATOM 598 O LEU A 85 -0.804 22.291 0.075 1.00 70.04 O ATOM 599 CB LEU A 85 0.703 24.023 -2.319 1.00 72.33 C ATOM 600 CG LEU A 85 -0.699 23.712 -2.844 1.00 34.33 C ATOM 601 CD1 LEU A 85 -0.900 24.319 -4.223 1.00 53.23 C ATOM 602 CD2 LEU A 85 -0.933 22.208 -2.882 1.00 14.53 C ATOM 0 H LEU A 85 1.175 21.468 -1.117 1.00 12.52 H new ATOM 0 HA LEU A 85 1.630 24.292 -0.399 1.00 14.14 H new ATOM 0 HB2 LEU A 85 0.853 25.102 -2.360 1.00 72.33 H new ATOM 0 HB3 LEU A 85 1.430 23.574 -2.995 1.00 72.33 H new ATOM 0 HG LEU A 85 -1.427 24.156 -2.165 1.00 34.33 H new ATOM 0 HD11 LEU A 85 -1.903 24.087 -4.580 1.00 53.23 H new ATOM 0 HD12 LEU A 85 -0.776 25.400 -4.166 1.00 53.23 H new ATOM 0 HD13 LEU A 85 -0.165 23.905 -4.913 1.00 53.23 H new ATOM 0 HD21 LEU A 85 -1.936 22.005 -3.258 1.00 14.53 H new ATOM 0 HD22 LEU A 85 -0.198 21.742 -3.538 1.00 14.53 H new ATOM 0 HD23 LEU A 85 -0.833 21.799 -1.877 1.00 14.53 H new ATOM 614 N PRO A 86 -0.833 24.525 0.362 1.00 4.13 N ATOM 615 CA PRO A 86 -2.079 24.542 1.134 1.00 5.24 C ATOM 616 C PRO A 86 -3.294 24.199 0.280 1.00 14.34 C ATOM 617 O PRO A 86 -3.160 23.754 -0.859 1.00 70.54 O ATOM 618 CB PRO A 86 -2.166 25.986 1.634 1.00 13.33 C ATOM 619 CG PRO A 86 -1.381 26.778 0.646 1.00 32.30 C ATOM 620 CD PRO A 86 -0.273 25.875 0.179 1.00 20.13 C ATOM 0 HA PRO A 86 -2.075 23.800 1.932 1.00 5.24 H new ATOM 0 HB2 PRO A 86 -3.200 26.327 1.682 1.00 13.33 H new ATOM 0 HB3 PRO A 86 -1.752 26.083 2.638 1.00 13.33 H new ATOM 0 HG2 PRO A 86 -2.007 27.091 -0.189 1.00 32.30 H new ATOM 0 HG3 PRO A 86 -0.981 27.684 1.101 1.00 32.30 H new ATOM 0 HD2 PRO A 86 -0.012 26.064 -0.862 1.00 20.13 H new ATOM 0 HD3 PRO A 86 0.635 26.016 0.766 1.00 20.13 H new ATOM 628 N LYS A 87 -4.482 24.410 0.838 1.00 2.31 N ATOM 629 CA LYS A 87 -5.723 24.126 0.128 1.00 62.53 C ATOM 630 C LYS A 87 -6.209 25.355 -0.633 1.00 2.11 C ATOM 631 O LYS A 87 -7.365 25.422 -1.050 1.00 71.54 O ATOM 632 CB LYS A 87 -6.801 23.661 1.109 1.00 72.50 C ATOM 633 CG LYS A 87 -6.365 22.501 1.988 1.00 62.14 C ATOM 634 CD LYS A 87 -7.435 22.137 3.003 1.00 51.11 C ATOM 635 CE LYS A 87 -6.987 20.994 3.900 1.00 64.50 C ATOM 636 NZ LYS A 87 -7.817 20.896 5.132 1.00 14.50 N ATOM 0 H LYS A 87 -4.611 24.777 1.781 1.00 2.31 H new ATOM 0 HA LYS A 87 -5.527 23.330 -0.591 1.00 62.53 H new ATOM 0 HB2 LYS A 87 -7.088 24.499 1.744 1.00 72.50 H new ATOM 0 HB3 LYS A 87 -7.688 23.367 0.548 1.00 72.50 H new ATOM 0 HG2 LYS A 87 -6.144 21.634 1.365 1.00 62.14 H new ATOM 0 HG3 LYS A 87 -5.444 22.764 2.508 1.00 62.14 H new ATOM 0 HD2 LYS A 87 -7.671 23.009 3.613 1.00 51.11 H new ATOM 0 HD3 LYS A 87 -8.351 21.855 2.483 1.00 51.11 H new ATOM 0 HE2 LYS A 87 -7.044 20.056 3.348 1.00 64.50 H new ATOM 0 HE3 LYS A 87 -5.943 21.138 4.177 1.00 64.50 H new ATOM 0 HZ1 LYS A 87 -7.479 20.105 5.716 1.00 14.50 H new ATOM 0 HZ2 LYS A 87 -7.742 21.782 5.672 1.00 14.50 H new ATOM 0 HZ3 LYS A 87 -8.810 20.733 4.870 1.00 14.50 H new ATOM 650 N ASP A 88 -5.319 26.325 -0.811 1.00 2.25 N ATOM 651 CA ASP A 88 -5.657 27.552 -1.523 1.00 64.45 C ATOM 652 C ASP A 88 -6.133 27.243 -2.940 1.00 3.43 C ATOM 653 O ASP A 88 -6.839 28.041 -3.556 1.00 14.43 O ATOM 654 CB ASP A 88 -4.449 28.489 -1.571 1.00 24.52 C ATOM 655 CG ASP A 88 -4.799 29.857 -2.121 1.00 43.20 C ATOM 656 OD1 ASP A 88 -5.897 30.360 -1.806 1.00 33.42 O ATOM 657 OD2 ASP A 88 -3.974 30.425 -2.868 1.00 12.53 O ATOM 0 H ASP A 88 -4.358 26.285 -0.472 1.00 2.25 H new ATOM 0 HA ASP A 88 -6.467 28.044 -0.985 1.00 64.45 H new ATOM 0 HB2 ASP A 88 -4.038 28.598 -0.568 1.00 24.52 H new ATOM 0 HB3 ASP A 88 -3.670 28.041 -2.188 1.00 24.52 H new ATOM 662 N PHE A 89 -5.740 26.081 -3.451 1.00 2.33 N ATOM 663 CA PHE A 89 -6.124 25.668 -4.795 1.00 55.33 C ATOM 664 C PHE A 89 -7.572 25.186 -4.823 1.00 23.42 C ATOM 665 O PHE A 89 -8.118 24.883 -5.884 1.00 52.43 O ATOM 666 CB PHE A 89 -5.196 24.560 -5.297 1.00 1.33 C ATOM 667 CG PHE A 89 -5.111 24.481 -6.794 1.00 74.02 C ATOM 668 CD1 PHE A 89 -6.006 23.703 -7.512 1.00 2.25 C ATOM 669 CD2 PHE A 89 -4.137 25.184 -7.484 1.00 60.24 C ATOM 670 CE1 PHE A 89 -5.931 23.628 -8.890 1.00 11.23 C ATOM 671 CE2 PHE A 89 -4.058 25.113 -8.862 1.00 44.14 C ATOM 672 CZ PHE A 89 -4.955 24.333 -9.566 1.00 1.42 C ATOM 0 H PHE A 89 -5.156 25.409 -2.954 1.00 2.33 H new ATOM 0 HA PHE A 89 -6.034 26.533 -5.453 1.00 55.33 H new ATOM 0 HB2 PHE A 89 -4.197 24.723 -4.893 1.00 1.33 H new ATOM 0 HB3 PHE A 89 -5.544 23.602 -4.910 1.00 1.33 H new ATOM 0 HD1 PHE A 89 -6.771 23.149 -6.988 1.00 2.25 H new ATOM 0 HD2 PHE A 89 -3.432 25.794 -6.939 1.00 60.24 H new ATOM 0 HE1 PHE A 89 -6.635 23.019 -9.437 1.00 11.23 H new ATOM 0 HE2 PHE A 89 -3.295 25.667 -9.388 1.00 44.14 H new ATOM 0 HZ PHE A 89 -4.893 24.275 -10.643 1.00 1.42 H new ATOM 682 N THR A 90 -8.188 25.115 -3.647 1.00 32.20 N ATOM 683 CA THR A 90 -9.571 24.668 -3.535 1.00 23.44 C ATOM 684 C THR A 90 -10.530 25.852 -3.487 1.00 25.30 C ATOM 685 O THR A 90 -11.667 25.724 -3.037 1.00 34.11 O ATOM 686 CB THR A 90 -9.780 23.801 -2.279 1.00 35.15 C ATOM 687 OG1 THR A 90 -9.837 24.632 -1.114 1.00 14.02 O ATOM 688 CG2 THR A 90 -8.658 22.785 -2.128 1.00 51.14 C ATOM 0 H THR A 90 -7.751 25.361 -2.759 1.00 32.20 H new ATOM 0 HA THR A 90 -9.783 24.069 -4.421 1.00 23.44 H new ATOM 0 HB THR A 90 -10.722 23.264 -2.389 1.00 35.15 H new ATOM 0 HG1 THR A 90 -8.928 24.877 -0.842 1.00 14.02 H new ATOM 0 HG21 THR A 90 -8.828 22.185 -1.234 1.00 51.14 H new ATOM 0 HG22 THR A 90 -8.636 22.135 -3.003 1.00 51.14 H new ATOM 0 HG23 THR A 90 -7.705 23.306 -2.039 1.00 51.14 H new ATOM 696 N GLY A 91 -10.062 27.005 -3.955 1.00 52.12 N ATOM 697 CA GLY A 91 -10.892 28.196 -3.957 1.00 70.32 C ATOM 698 C GLY A 91 -10.804 28.961 -5.263 1.00 14.24 C ATOM 699 O GLY A 91 -10.980 30.179 -5.288 1.00 50.54 O ATOM 0 H GLY A 91 -9.124 27.136 -4.333 1.00 52.12 H new ATOM 0 HA2 GLY A 91 -11.929 27.913 -3.774 1.00 70.32 H new ATOM 0 HA3 GLY A 91 -10.590 28.847 -3.137 1.00 70.32 H new ATOM 703 N ARG A 92 -10.531 28.246 -6.349 1.00 4.22 N ATOM 704 CA ARG A 92 -10.417 28.867 -7.663 1.00 60.53 C ATOM 705 C ARG A 92 -11.488 28.334 -8.610 1.00 71.34 C ATOM 706 O ARG A 92 -11.892 29.015 -9.553 1.00 62.51 O ATOM 707 CB ARG A 92 -9.028 28.613 -8.252 1.00 72.43 C ATOM 708 CG ARG A 92 -8.598 27.156 -8.193 1.00 33.15 C ATOM 709 CD ARG A 92 -7.658 26.805 -9.335 1.00 1.31 C ATOM 710 NE ARG A 92 -8.295 26.971 -10.639 1.00 22.23 N ATOM 711 CZ ARG A 92 -7.655 26.822 -11.793 1.00 72.43 C ATOM 712 NH1 ARG A 92 -6.368 26.505 -11.806 1.00 21.32 N ATOM 713 NH2 ARG A 92 -8.304 26.989 -12.939 1.00 22.22 N ATOM 0 H ARG A 92 -10.385 27.237 -6.345 1.00 4.22 H new ATOM 0 HA ARG A 92 -10.563 29.941 -7.544 1.00 60.53 H new ATOM 0 HB2 ARG A 92 -9.017 28.944 -9.290 1.00 72.43 H new ATOM 0 HB3 ARG A 92 -8.299 29.220 -7.716 1.00 72.43 H new ATOM 0 HG2 ARG A 92 -8.105 26.960 -7.241 1.00 33.15 H new ATOM 0 HG3 ARG A 92 -9.478 26.514 -8.234 1.00 33.15 H new ATOM 0 HD2 ARG A 92 -6.771 27.437 -9.282 1.00 1.31 H new ATOM 0 HD3 ARG A 92 -7.322 25.774 -9.224 1.00 1.31 H new ATOM 0 HE ARG A 92 -9.285 27.215 -10.665 1.00 22.23 H new ATOM 0 HH11 ARG A 92 -5.866 26.375 -10.928 1.00 21.32 H new ATOM 0 HH12 ARG A 92 -5.880 26.391 -12.694 1.00 21.32 H new ATOM 0 HH21 ARG A 92 -9.295 27.232 -12.933 1.00 22.22 H new ATOM 0 HH22 ARG A 92 -7.812 26.874 -13.825 1.00 22.22 H new ATOM 727 N SER A 93 -11.944 27.112 -8.353 1.00 24.21 N ATOM 728 CA SER A 93 -12.965 26.486 -9.185 1.00 24.53 C ATOM 729 C SER A 93 -14.314 27.172 -8.997 1.00 33.52 C ATOM 730 O SER A 93 -14.408 28.221 -8.360 1.00 23.13 O ATOM 731 CB SER A 93 -13.085 24.998 -8.848 1.00 64.14 C ATOM 732 OG SER A 93 -13.774 24.298 -9.870 1.00 1.12 O ATOM 0 H SER A 93 -11.622 26.536 -7.575 1.00 24.21 H new ATOM 0 HA SER A 93 -12.665 26.592 -10.228 1.00 24.53 H new ATOM 0 HB2 SER A 93 -12.091 24.570 -8.716 1.00 64.14 H new ATOM 0 HB3 SER A 93 -13.612 24.878 -7.901 1.00 64.14 H new ATOM 0 HG SER A 93 -13.682 24.782 -10.717 1.00 1.12 H new ATOM 738 N LYS A 94 -15.359 26.571 -9.556 1.00 70.24 N ATOM 739 CA LYS A 94 -16.705 27.121 -9.451 1.00 73.31 C ATOM 740 C LYS A 94 -17.633 26.152 -8.725 1.00 13.55 C ATOM 741 O LYS A 94 -18.836 26.394 -8.613 1.00 5.41 O ATOM 742 CB LYS A 94 -17.262 27.430 -10.843 1.00 12.44 C ATOM 743 CG LYS A 94 -17.008 26.330 -11.858 1.00 61.02 C ATOM 744 CD LYS A 94 -17.666 26.639 -13.192 1.00 55.21 C ATOM 745 CE LYS A 94 -16.920 27.731 -13.943 1.00 4.35 C ATOM 746 NZ LYS A 94 -15.775 27.185 -14.723 1.00 75.24 N ATOM 0 H LYS A 94 -15.299 25.702 -10.087 1.00 70.24 H new ATOM 0 HA LYS A 94 -16.649 28.045 -8.875 1.00 73.31 H new ATOM 0 HB2 LYS A 94 -18.336 27.600 -10.766 1.00 12.44 H new ATOM 0 HB3 LYS A 94 -16.817 28.357 -11.205 1.00 12.44 H new ATOM 0 HG2 LYS A 94 -15.934 26.206 -12.001 1.00 61.02 H new ATOM 0 HG3 LYS A 94 -17.389 25.384 -11.474 1.00 61.02 H new ATOM 0 HD2 LYS A 94 -17.699 25.735 -13.800 1.00 55.21 H new ATOM 0 HD3 LYS A 94 -18.698 26.950 -13.027 1.00 55.21 H new ATOM 0 HE2 LYS A 94 -17.607 28.243 -14.617 1.00 4.35 H new ATOM 0 HE3 LYS A 94 -16.555 28.475 -13.235 1.00 4.35 H new ATOM 0 HZ1 LYS A 94 -15.292 27.961 -15.220 1.00 75.24 H new ATOM 0 HZ2 LYS A 94 -15.106 26.719 -14.077 1.00 75.24 H new ATOM 0 HZ3 LYS A 94 -16.126 26.494 -15.417 1.00 75.24 H new ATOM 760 N CYS A 95 -17.068 25.056 -8.231 1.00 2.13 N ATOM 761 CA CYS A 95 -17.844 24.051 -7.514 1.00 4.54 C ATOM 762 C CYS A 95 -18.267 24.568 -6.142 1.00 13.52 C ATOM 763 O CYS A 95 -17.641 24.256 -5.129 1.00 12.11 O ATOM 764 CB CYS A 95 -17.030 22.765 -7.357 1.00 75.01 C ATOM 765 SG CYS A 95 -18.043 21.254 -7.249 1.00 3.24 S ATOM 0 H CYS A 95 -16.074 24.841 -8.314 1.00 2.13 H new ATOM 0 HA CYS A 95 -18.741 23.837 -8.095 1.00 4.54 H new ATOM 0 HB2 CYS A 95 -16.348 22.673 -8.203 1.00 75.01 H new ATOM 0 HB3 CYS A 95 -16.416 22.843 -6.460 1.00 75.01 H new ATOM 770 N ARG A 96 -19.334 25.360 -6.118 1.00 12.52 N ATOM 771 CA ARG A 96 -19.841 25.922 -4.871 1.00 73.44 C ATOM 772 C ARG A 96 -20.100 24.822 -3.846 1.00 23.04 C ATOM 773 O ARG A 96 -19.999 23.635 -4.155 1.00 23.24 O ATOM 774 CB ARG A 96 -21.128 26.708 -5.128 1.00 35.44 C ATOM 775 CG ARG A 96 -21.188 28.035 -4.390 1.00 53.43 C ATOM 776 CD ARG A 96 -22.610 28.378 -3.974 1.00 31.22 C ATOM 777 NE ARG A 96 -22.778 29.807 -3.724 1.00 31.25 N ATOM 778 CZ ARG A 96 -23.960 30.410 -3.674 1.00 14.20 C ATOM 779 NH1 ARG A 96 -25.073 29.712 -3.856 1.00 42.21 N ATOM 780 NH2 ARG A 96 -24.032 31.715 -3.441 1.00 63.33 N ATOM 0 H ARG A 96 -19.864 25.627 -6.947 1.00 12.52 H new ATOM 0 HA ARG A 96 -19.085 26.597 -4.471 1.00 73.44 H new ATOM 0 HB2 ARG A 96 -21.224 26.892 -6.198 1.00 35.44 H new ATOM 0 HB3 ARG A 96 -21.982 26.098 -4.832 1.00 35.44 H new ATOM 0 HG2 ARG A 96 -20.550 27.991 -3.507 1.00 53.43 H new ATOM 0 HG3 ARG A 96 -20.794 28.826 -5.028 1.00 53.43 H new ATOM 0 HD2 ARG A 96 -23.302 28.063 -4.755 1.00 31.22 H new ATOM 0 HD3 ARG A 96 -22.869 27.820 -3.074 1.00 31.22 H new ATOM 0 HE ARG A 96 -21.942 30.373 -3.580 1.00 31.25 H new ATOM 0 HH11 ARG A 96 -25.023 28.709 -4.035 1.00 42.21 H new ATOM 0 HH12 ARG A 96 -25.979 30.178 -3.817 1.00 42.21 H new ATOM 0 HH21 ARG A 96 -23.179 32.256 -3.300 1.00 63.33 H new ATOM 0 HH22 ARG A 96 -24.941 32.177 -3.403 1.00 63.33 H new ATOM 794 N SER A 97 -20.433 25.226 -2.624 1.00 20.01 N ATOM 795 CA SER A 97 -20.702 24.275 -1.551 1.00 44.42 C ATOM 796 C SER A 97 -22.031 23.563 -1.777 1.00 73.54 C ATOM 797 O SER A 97 -23.060 23.950 -1.221 1.00 43.31 O ATOM 798 CB SER A 97 -20.717 24.991 -0.199 1.00 51.00 C ATOM 799 OG SER A 97 -21.354 24.200 0.789 1.00 13.22 O ATOM 0 H SER A 97 -20.523 26.205 -2.352 1.00 20.01 H new ATOM 0 HA SER A 97 -19.906 23.530 -1.551 1.00 44.42 H new ATOM 0 HB2 SER A 97 -19.696 25.212 0.110 1.00 51.00 H new ATOM 0 HB3 SER A 97 -21.235 25.945 -0.295 1.00 51.00 H new ATOM 0 HG SER A 97 -22.302 24.097 0.564 1.00 13.22 H new ATOM 805 N LEU A 98 -22.003 22.518 -2.598 1.00 12.13 N ATOM 806 CA LEU A 98 -23.206 21.749 -2.899 1.00 2.20 C ATOM 807 C LEU A 98 -23.349 20.567 -1.946 1.00 15.35 C ATOM 808 O LEU A 98 -23.662 19.453 -2.364 1.00 13.50 O ATOM 809 CB LEU A 98 -23.168 21.251 -4.345 1.00 4.12 C ATOM 810 CG LEU A 98 -22.860 22.304 -5.410 1.00 5.34 C ATOM 811 CD1 LEU A 98 -21.875 21.758 -6.432 1.00 31.21 C ATOM 812 CD2 LEU A 98 -24.140 22.763 -6.092 1.00 1.31 C ATOM 0 H LEU A 98 -21.161 22.184 -3.067 1.00 12.13 H new ATOM 0 HA LEU A 98 -24.068 22.403 -2.769 1.00 2.20 H new ATOM 0 HB2 LEU A 98 -22.420 20.461 -4.417 1.00 4.12 H new ATOM 0 HB3 LEU A 98 -24.132 20.799 -4.578 1.00 4.12 H new ATOM 0 HG LEU A 98 -22.404 23.165 -4.921 1.00 5.34 H new ATOM 0 HD11 LEU A 98 -21.668 22.522 -7.182 1.00 31.21 H new ATOM 0 HD12 LEU A 98 -20.948 21.480 -5.931 1.00 31.21 H new ATOM 0 HD13 LEU A 98 -22.303 20.880 -6.917 1.00 31.21 H new ATOM 0 HD21 LEU A 98 -23.902 23.512 -6.847 1.00 1.31 H new ATOM 0 HD22 LEU A 98 -24.625 21.910 -6.568 1.00 1.31 H new ATOM 0 HD23 LEU A 98 -24.812 23.196 -5.351 1.00 1.31 H new ATOM 824 N GLY A 99 -23.120 20.819 -0.660 1.00 75.11 N ATOM 825 CA GLY A 99 -23.231 19.767 0.333 1.00 34.40 C ATOM 826 C GLY A 99 -24.545 19.818 1.088 1.00 62.00 C ATOM 827 O GLY A 99 -24.889 18.884 1.813 1.00 4.30 O ATOM 0 H GLY A 99 -22.860 21.733 -0.289 1.00 75.11 H new ATOM 0 HA2 GLY A 99 -23.134 18.798 -0.157 1.00 34.40 H new ATOM 0 HA3 GLY A 99 -22.406 19.851 1.040 1.00 34.40 H new ATOM 831 N ARG A 100 -25.280 20.912 0.919 1.00 11.13 N ATOM 832 CA ARG A 100 -26.562 21.083 1.593 1.00 63.30 C ATOM 833 C ARG A 100 -27.610 20.137 1.015 1.00 70.33 C ATOM 834 O ARG A 100 -28.391 20.519 0.143 1.00 71.44 O ATOM 835 CB ARG A 100 -27.040 22.530 1.466 1.00 11.20 C ATOM 836 CG ARG A 100 -26.088 23.543 2.081 1.00 21.44 C ATOM 837 CD ARG A 100 -26.837 24.737 2.651 1.00 42.21 C ATOM 838 NE ARG A 100 -26.223 26.004 2.262 1.00 10.11 N ATOM 839 CZ ARG A 100 -26.223 26.469 1.018 1.00 42.31 C ATOM 840 NH1 ARG A 100 -26.801 25.776 0.047 1.00 34.12 N ATOM 841 NH2 ARG A 100 -25.643 27.631 0.743 1.00 75.12 N ATOM 0 H ARG A 100 -25.010 21.693 0.321 1.00 11.13 H new ATOM 0 HA ARG A 100 -26.424 20.845 2.648 1.00 63.30 H new ATOM 0 HB2 ARG A 100 -27.177 22.767 0.411 1.00 11.20 H new ATOM 0 HB3 ARG A 100 -28.015 22.625 1.943 1.00 11.20 H new ATOM 0 HG2 ARG A 100 -25.507 23.066 2.870 1.00 21.44 H new ATOM 0 HG3 ARG A 100 -25.380 23.883 1.326 1.00 21.44 H new ATOM 0 HD2 ARG A 100 -27.871 24.714 2.307 1.00 42.21 H new ATOM 0 HD3 ARG A 100 -26.861 24.664 3.738 1.00 42.21 H new ATOM 0 HE ARG A 100 -25.769 26.562 2.985 1.00 10.11 H new ATOM 0 HH11 ARG A 100 -27.248 24.883 0.254 1.00 34.12 H new ATOM 0 HH12 ARG A 100 -26.799 26.136 -0.907 1.00 34.12 H new ATOM 0 HH21 ARG A 100 -25.197 28.167 1.487 1.00 75.12 H new ATOM 0 HH22 ARG A 100 -25.643 27.988 -0.213 1.00 75.12 H new ATOM 855 N ILE A 101 -27.620 18.902 1.506 1.00 54.13 N ATOM 856 CA ILE A 101 -28.573 17.902 1.038 1.00 4.50 C ATOM 857 C ILE A 101 -29.102 17.063 2.196 1.00 2.31 C ATOM 858 O ILE A 101 -28.411 16.179 2.704 1.00 52.35 O ATOM 859 CB ILE A 101 -27.939 16.969 -0.010 1.00 74.14 C ATOM 860 CG1 ILE A 101 -27.422 17.779 -1.200 1.00 45.34 C ATOM 861 CG2 ILE A 101 -28.949 15.928 -0.471 1.00 24.42 C ATOM 862 CD1 ILE A 101 -26.538 16.983 -2.135 1.00 5.32 C ATOM 0 H ILE A 101 -26.980 18.570 2.227 1.00 54.13 H new ATOM 0 HA ILE A 101 -29.400 18.444 0.578 1.00 4.50 H new ATOM 0 HB ILE A 101 -27.095 16.452 0.448 1.00 74.14 H new ATOM 0 HG12 ILE A 101 -28.272 18.169 -1.760 1.00 45.34 H new ATOM 0 HG13 ILE A 101 -26.864 18.638 -0.829 1.00 45.34 H new ATOM 0 HG21 ILE A 101 -28.487 15.276 -1.212 1.00 24.42 H new ATOM 0 HG22 ILE A 101 -29.275 15.334 0.383 1.00 24.42 H new ATOM 0 HG23 ILE A 101 -29.810 16.428 -0.915 1.00 24.42 H new ATOM 0 HD11 ILE A 101 -26.208 17.621 -2.955 1.00 5.32 H new ATOM 0 HD12 ILE A 101 -25.669 16.615 -1.589 1.00 5.32 H new ATOM 0 HD13 ILE A 101 -27.099 16.138 -2.535 1.00 5.32 H new ATOM 874 N LYS A 102 -30.333 17.345 2.609 1.00 20.51 N ATOM 875 CA LYS A 102 -30.958 16.614 3.705 1.00 12.44 C ATOM 876 C LYS A 102 -31.067 15.129 3.378 1.00 64.43 C ATOM 877 O LYS A 102 -31.977 14.705 2.665 1.00 20.12 O ATOM 878 CB LYS A 102 -32.347 17.185 3.999 1.00 54.41 C ATOM 879 CG LYS A 102 -32.812 16.952 5.426 1.00 2.21 C ATOM 880 CD LYS A 102 -34.327 16.892 5.517 1.00 54.34 C ATOM 881 CE LYS A 102 -34.935 18.283 5.613 1.00 14.15 C ATOM 882 NZ LYS A 102 -34.948 18.786 7.015 1.00 55.41 N ATOM 0 H LYS A 102 -30.918 18.075 2.201 1.00 20.51 H new ATOM 0 HA LYS A 102 -30.330 16.728 4.588 1.00 12.44 H new ATOM 0 HB2 LYS A 102 -32.340 18.256 3.799 1.00 54.41 H new ATOM 0 HB3 LYS A 102 -33.067 16.737 3.314 1.00 54.41 H new ATOM 0 HG2 LYS A 102 -32.387 16.021 5.800 1.00 2.21 H new ATOM 0 HG3 LYS A 102 -32.440 17.752 6.066 1.00 2.21 H new ATOM 0 HD2 LYS A 102 -34.725 16.379 4.641 1.00 54.34 H new ATOM 0 HD3 LYS A 102 -34.617 16.306 6.389 1.00 54.34 H new ATOM 0 HE2 LYS A 102 -34.369 18.971 4.985 1.00 14.15 H new ATOM 0 HE3 LYS A 102 -35.953 18.262 5.225 1.00 14.15 H new ATOM 0 HZ1 LYS A 102 -35.370 19.736 7.039 1.00 55.41 H new ATOM 0 HZ2 LYS A 102 -35.509 18.143 7.609 1.00 55.41 H new ATOM 0 HZ3 LYS A 102 -33.974 18.830 7.377 1.00 55.41 H new TER 896 LYS A 102