USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 907 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 18 GLN : amide:sc= -1.25! K(o=-1.3!,f=-0.037) USER MOD Set 1.2: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 55 TYR OH : rot -138:sc= 0.779 USER MOD Set 2.2: A 59 CYS SG : rot -26:sc= -1.4 USER MOD Set 3.1: A 46 SER OG : rot 180:sc= 0.435 USER MOD Set 3.2: A 98 GLN : amide:sc= 0.0539 X(o=0.49,f=0.5) USER MOD Set 4.1: A 8 GLN : amide:sc= 1.06 K(o=3.5,f=-5.8!) USER MOD Set 4.2: A 12 LYS NZ :NH3+ -148:sc= 2.47 (180deg=0.636) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc=-0.00328 X(o=-0.0033,f=-0.43) USER MOD Single : A 15 TYR OH : rot 60:sc= -0.231 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.57) USER MOD Single : A 28 SER OG : rot -166:sc= 0.694 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 73:sc= 0.733 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 162:sc= -0.755 (180deg=-1.31) USER MOD Single : A 69 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.18) USER MOD Single : A 72 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.14) USER MOD Single : A 73 TYR OH : rot 30:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 170:sc= -0.0147 (180deg=-0.188) USER MOD Single : A 78 ASN : amide:sc= -0.341 K(o=-0.34,f=-1.3!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 78:sc= 1.17 USER MOD Single : A 86 HIS : no HD1:sc= -4.41! K(o=-4.4!,f=-0.83) USER MOD Single : A 87 TYR OH : rot 150:sc= -0.345 USER MOD Single : A 92 TYR OH : rot -88:sc= 0.847 USER MOD Single : A 94 TYR OH : rot 68:sc= -0.745 USER MOD Single : A 96 MET CE :methyl -161:sc= -0.172 (180deg=-0.65) USER MOD Single : A 99 SER OG : rot 19:sc= -0.802! USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 105 CYS SG : rot 180:sc= -2.14! USER MOD Single : A 106 ASN : amide:sc= -1.13 K(o=-1.1,f=-4.7!) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD ----------------------------------------------------------------- ATOM 45 N GLU A 4 10.170 11.772 -1.912 1.00 0.00 N ATOM 46 CA GLU A 4 10.532 10.552 -1.173 1.00 0.00 C ATOM 47 C GLU A 4 10.331 9.305 -2.035 1.00 0.00 C ATOM 48 O GLU A 4 11.028 8.298 -1.863 1.00 0.00 O ATOM 49 CB GLU A 4 9.726 10.401 0.130 1.00 0.00 C ATOM 50 CG GLU A 4 9.980 11.489 1.169 1.00 0.00 C ATOM 51 CD GLU A 4 9.238 12.777 0.870 1.00 0.00 C ATOM 52 OE1 GLU A 4 8.064 12.891 1.271 1.00 0.00 O ATOM 53 OE2 GLU A 4 9.817 13.675 0.223 1.00 0.00 O ATOM 0 HA GLU A 4 11.587 10.651 -0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.664 10.393 -0.115 1.00 0.00 H new ATOM 0 HB3 GLU A 4 9.958 9.433 0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.681 11.123 2.151 1.00 0.00 H new ATOM 0 HG3 GLU A 4 11.049 11.695 1.218 1.00 0.00 H new ATOM 60 N LEU A 5 9.378 9.369 -2.957 1.00 0.00 N ATOM 61 CA LEU A 5 9.114 8.255 -3.855 1.00 0.00 C ATOM 62 C LEU A 5 10.158 8.245 -4.969 1.00 0.00 C ATOM 63 O LEU A 5 10.876 7.263 -5.140 1.00 0.00 O ATOM 64 CB LEU A 5 7.679 8.348 -4.427 1.00 0.00 C ATOM 65 CG LEU A 5 7.136 7.105 -5.184 1.00 0.00 C ATOM 66 CD1 LEU A 5 7.794 6.933 -6.552 1.00 0.00 C ATOM 67 CD2 LEU A 5 7.302 5.834 -4.347 1.00 0.00 C ATOM 0 H LEU A 5 8.777 10.180 -3.101 1.00 0.00 H new ATOM 0 HA LEU A 5 9.185 7.318 -3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.000 8.565 -3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.640 9.201 -5.105 1.00 0.00 H new ATOM 0 HG LEU A 5 6.072 7.276 -5.350 1.00 0.00 H new ATOM 0 HD11 LEU A 5 7.384 6.052 -7.045 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.599 7.814 -7.163 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.870 6.810 -6.425 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.913 4.980 -4.902 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.359 5.676 -4.131 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.752 5.940 -3.412 1.00 0.00 H new ATOM 79 N GLU A 6 10.266 9.361 -5.689 1.00 0.00 N ATOM 80 CA GLU A 6 11.115 9.437 -6.888 1.00 0.00 C ATOM 81 C GLU A 6 12.586 9.737 -6.555 1.00 0.00 C ATOM 82 O GLU A 6 13.413 9.864 -7.458 1.00 0.00 O ATOM 83 CB GLU A 6 10.568 10.496 -7.858 1.00 0.00 C ATOM 84 CG GLU A 6 10.500 11.905 -7.274 1.00 0.00 C ATOM 85 CD GLU A 6 10.064 12.945 -8.296 1.00 0.00 C ATOM 86 OE1 GLU A 6 10.933 13.458 -9.035 1.00 0.00 O ATOM 87 OE2 GLU A 6 8.855 13.261 -8.365 1.00 0.00 O ATOM 0 H GLU A 6 9.778 10.228 -5.466 1.00 0.00 H new ATOM 0 HA GLU A 6 11.087 8.455 -7.360 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.195 10.514 -8.749 1.00 0.00 H new ATOM 0 HB3 GLU A 6 9.569 10.199 -8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 6 9.804 11.913 -6.435 1.00 0.00 H new ATOM 0 HG3 GLU A 6 11.479 12.178 -6.879 1.00 0.00 H new ATOM 94 N ALA A 7 12.902 9.857 -5.265 1.00 0.00 N ATOM 95 CA ALA A 7 14.260 10.195 -4.821 1.00 0.00 C ATOM 96 C ALA A 7 15.300 9.190 -5.319 1.00 0.00 C ATOM 97 O ALA A 7 16.347 9.575 -5.845 1.00 0.00 O ATOM 98 CB ALA A 7 14.316 10.287 -3.299 1.00 0.00 C ATOM 0 H ALA A 7 12.235 9.725 -4.505 1.00 0.00 H new ATOM 0 HA ALA A 7 14.504 11.165 -5.254 1.00 0.00 H new ATOM 0 HB1 ALA A 7 15.330 10.538 -2.987 1.00 0.00 H new ATOM 0 HB2 ALA A 7 13.628 11.060 -2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 7 14.030 9.329 -2.866 1.00 0.00 H new ATOM 104 N GLN A 8 15.009 7.906 -5.149 1.00 0.00 N ATOM 105 CA GLN A 8 15.962 6.854 -5.498 1.00 0.00 C ATOM 106 C GLN A 8 15.936 6.606 -7.011 1.00 0.00 C ATOM 107 O GLN A 8 14.868 6.595 -7.629 1.00 0.00 O ATOM 108 CB GLN A 8 15.617 5.579 -4.720 1.00 0.00 C ATOM 109 CG GLN A 8 15.407 5.816 -3.226 1.00 0.00 C ATOM 110 CD GLN A 8 14.718 4.651 -2.533 1.00 0.00 C ATOM 111 OE1 GLN A 8 13.487 4.600 -2.459 1.00 0.00 O ATOM 112 NE2 GLN A 8 15.501 3.720 -2.015 1.00 0.00 N ATOM 0 H GLN A 8 14.124 7.566 -4.773 1.00 0.00 H new ATOM 0 HA GLN A 8 16.971 7.163 -5.227 1.00 0.00 H new ATOM 0 HB2 GLN A 8 14.713 5.139 -5.141 1.00 0.00 H new ATOM 0 HB3 GLN A 8 16.418 4.852 -4.856 1.00 0.00 H new ATOM 0 HG2 GLN A 8 16.372 5.994 -2.752 1.00 0.00 H new ATOM 0 HG3 GLN A 8 14.812 6.719 -3.087 1.00 0.00 H new ATOM 0 HE21 GLN A 8 16.514 3.801 -2.099 1.00 0.00 H new ATOM 0 HE22 GLN A 8 15.092 2.921 -1.531 1.00 0.00 H new ATOM 121 N THR A 9 17.106 6.360 -7.592 1.00 0.00 N ATOM 122 CA THR A 9 17.270 6.396 -9.044 1.00 0.00 C ATOM 123 C THR A 9 17.279 4.999 -9.679 1.00 0.00 C ATOM 124 O THR A 9 17.830 4.047 -9.123 1.00 0.00 O ATOM 125 CB THR A 9 18.570 7.152 -9.408 1.00 0.00 C ATOM 126 OG1 THR A 9 18.568 8.436 -8.762 1.00 0.00 O ATOM 127 CG2 THR A 9 18.710 7.345 -10.916 1.00 0.00 C ATOM 0 H THR A 9 17.958 6.133 -7.079 1.00 0.00 H new ATOM 0 HA THR A 9 16.406 6.922 -9.450 1.00 0.00 H new ATOM 0 HB THR A 9 19.415 6.554 -9.067 1.00 0.00 H new ATOM 0 HG1 THR A 9 19.391 8.918 -8.989 1.00 0.00 H new ATOM 0 HG21 THR A 9 19.635 7.880 -11.130 1.00 0.00 H new ATOM 0 HG22 THR A 9 18.731 6.372 -11.407 1.00 0.00 H new ATOM 0 HG23 THR A 9 17.863 7.921 -11.289 1.00 0.00 H new ATOM 135 N ARG A 10 16.630 4.908 -10.846 1.00 0.00 N ATOM 136 CA ARG A 10 16.521 3.680 -11.652 1.00 0.00 C ATOM 137 C ARG A 10 15.844 2.528 -10.911 1.00 0.00 C ATOM 138 O ARG A 10 15.765 1.418 -11.435 1.00 0.00 O ATOM 139 CB ARG A 10 17.904 3.221 -12.150 1.00 0.00 C ATOM 140 CG ARG A 10 18.560 4.167 -13.151 1.00 0.00 C ATOM 141 CD ARG A 10 19.883 3.610 -13.673 1.00 0.00 C ATOM 142 NE ARG A 10 20.898 3.511 -12.618 1.00 0.00 N ATOM 143 CZ ARG A 10 21.669 2.440 -12.410 1.00 0.00 C ATOM 144 NH1 ARG A 10 21.479 1.330 -13.122 1.00 0.00 N ATOM 145 NH2 ARG A 10 22.612 2.473 -11.475 1.00 0.00 N ATOM 0 H ARG A 10 16.153 5.704 -11.269 1.00 0.00 H new ATOM 0 HA ARG A 10 15.888 3.941 -12.500 1.00 0.00 H new ATOM 0 HB2 ARG A 10 18.565 3.105 -11.291 1.00 0.00 H new ATOM 0 HB3 ARG A 10 17.803 2.238 -12.610 1.00 0.00 H new ATOM 0 HG2 ARG A 10 17.882 4.338 -13.987 1.00 0.00 H new ATOM 0 HG3 ARG A 10 18.734 5.134 -12.678 1.00 0.00 H new ATOM 0 HD2 ARG A 10 19.714 2.624 -14.106 1.00 0.00 H new ATOM 0 HD3 ARG A 10 20.254 4.250 -14.473 1.00 0.00 H new ATOM 0 HE ARG A 10 21.023 4.314 -12.002 1.00 0.00 H new ATOM 0 HH11 ARG A 10 20.743 1.297 -13.828 1.00 0.00 H new ATOM 0 HH12 ARG A 10 22.069 0.514 -12.961 1.00 0.00 H new ATOM 0 HH21 ARG A 10 22.747 3.316 -10.916 1.00 0.00 H new ATOM 0 HH22 ARG A 10 23.201 1.656 -11.316 1.00 0.00 H new ATOM 159 N VAL A 11 15.353 2.781 -9.707 1.00 0.00 N ATOM 160 CA VAL A 11 14.550 1.799 -8.989 1.00 0.00 C ATOM 161 C VAL A 11 13.111 2.284 -8.855 1.00 0.00 C ATOM 162 O VAL A 11 12.164 1.580 -9.211 1.00 0.00 O ATOM 163 CB VAL A 11 15.149 1.464 -7.594 1.00 0.00 C ATOM 164 CG1 VAL A 11 15.418 2.729 -6.785 1.00 0.00 C ATOM 165 CG2 VAL A 11 14.237 0.508 -6.825 1.00 0.00 C ATOM 0 H VAL A 11 15.496 3.658 -9.205 1.00 0.00 H new ATOM 0 HA VAL A 11 14.559 0.879 -9.573 1.00 0.00 H new ATOM 0 HB VAL A 11 16.105 0.966 -7.756 1.00 0.00 H new ATOM 0 HG11 VAL A 11 15.836 2.459 -5.815 1.00 0.00 H new ATOM 0 HG12 VAL A 11 16.125 3.361 -7.322 1.00 0.00 H new ATOM 0 HG13 VAL A 11 14.485 3.273 -6.639 1.00 0.00 H new ATOM 0 HG21 VAL A 11 14.677 0.288 -5.852 1.00 0.00 H new ATOM 0 HG22 VAL A 11 13.260 0.971 -6.685 1.00 0.00 H new ATOM 0 HG23 VAL A 11 14.122 -0.418 -7.389 1.00 0.00 H new ATOM 175 N LYS A 12 12.956 3.515 -8.376 1.00 0.00 N ATOM 176 CA LYS A 12 11.637 4.043 -8.050 1.00 0.00 C ATOM 177 C LYS A 12 10.932 4.573 -9.289 1.00 0.00 C ATOM 178 O LYS A 12 9.710 4.624 -9.323 1.00 0.00 O ATOM 179 CB LYS A 12 11.751 5.140 -6.987 1.00 0.00 C ATOM 180 CG LYS A 12 12.423 4.670 -5.697 1.00 0.00 C ATOM 181 CD LYS A 12 11.602 3.618 -4.951 1.00 0.00 C ATOM 182 CE LYS A 12 10.406 4.222 -4.223 1.00 0.00 C ATOM 183 NZ LYS A 12 10.818 5.087 -3.082 1.00 0.00 N ATOM 0 H LYS A 12 13.725 4.163 -8.206 1.00 0.00 H new ATOM 0 HA LYS A 12 11.037 3.226 -7.649 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.316 5.976 -7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.754 5.514 -6.753 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.404 4.258 -5.933 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.586 5.528 -5.044 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.252 2.866 -5.658 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.241 3.106 -4.232 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.814 4.808 -4.926 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.764 3.421 -3.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 10.101 5.036 -2.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.733 4.759 -2.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.909 6.071 -3.407 1.00 0.00 H new ATOM 197 N LEU A 13 11.700 4.952 -10.313 1.00 0.00 N ATOM 198 CA LEU A 13 11.109 5.463 -11.551 1.00 0.00 C ATOM 199 C LEU A 13 10.367 4.355 -12.289 1.00 0.00 C ATOM 200 O LEU A 13 9.308 4.589 -12.877 1.00 0.00 O ATOM 201 CB LEU A 13 12.171 6.094 -12.464 1.00 0.00 C ATOM 202 CG LEU A 13 12.679 7.480 -12.023 1.00 0.00 C ATOM 203 CD1 LEU A 13 13.585 7.379 -10.797 1.00 0.00 C ATOM 204 CD2 LEU A 13 13.391 8.181 -13.176 1.00 0.00 C ATOM 0 H LEU A 13 12.719 4.916 -10.311 1.00 0.00 H new ATOM 0 HA LEU A 13 10.397 6.242 -11.278 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.022 5.416 -12.526 1.00 0.00 H new ATOM 0 HB3 LEU A 13 11.758 6.180 -13.469 1.00 0.00 H new ATOM 0 HG LEU A 13 11.814 8.080 -11.739 1.00 0.00 H new ATOM 0 HD11 LEU A 13 13.925 8.375 -10.513 1.00 0.00 H new ATOM 0 HD12 LEU A 13 13.030 6.936 -9.970 1.00 0.00 H new ATOM 0 HD13 LEU A 13 14.447 6.754 -11.032 1.00 0.00 H new ATOM 0 HD21 LEU A 13 13.743 9.158 -12.846 1.00 0.00 H new ATOM 0 HD22 LEU A 13 14.241 7.579 -13.499 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.699 8.307 -14.008 1.00 0.00 H new ATOM 216 N ASN A 14 10.924 3.148 -12.252 1.00 0.00 N ATOM 217 CA ASN A 14 10.276 1.984 -12.857 1.00 0.00 C ATOM 218 C ASN A 14 8.933 1.745 -12.174 1.00 0.00 C ATOM 219 O ASN A 14 7.874 1.699 -12.815 1.00 0.00 O ATOM 220 CB ASN A 14 11.150 0.728 -12.704 1.00 0.00 C ATOM 221 CG ASN A 14 12.603 0.945 -13.093 1.00 0.00 C ATOM 222 OD1 ASN A 14 12.923 1.788 -13.931 1.00 0.00 O ATOM 223 ND2 ASN A 14 13.493 0.181 -12.478 1.00 0.00 N ATOM 0 H ASN A 14 11.822 2.948 -11.810 1.00 0.00 H new ATOM 0 HA ASN A 14 10.131 2.181 -13.919 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.107 0.390 -11.669 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.734 -0.071 -13.318 1.00 0.00 H new ATOM 0 HD21 ASN A 14 14.485 0.280 -12.693 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.186 -0.506 -11.789 1.00 0.00 H new ATOM 230 N TYR A 15 8.996 1.622 -10.852 1.00 0.00 N ATOM 231 CA TYR A 15 7.814 1.393 -10.037 1.00 0.00 C ATOM 232 C TYR A 15 6.846 2.568 -10.145 1.00 0.00 C ATOM 233 O TYR A 15 5.639 2.386 -10.054 1.00 0.00 O ATOM 234 CB TYR A 15 8.218 1.169 -8.577 1.00 0.00 C ATOM 235 CG TYR A 15 7.057 0.826 -7.657 1.00 0.00 C ATOM 236 CD1 TYR A 15 6.624 -0.490 -7.511 1.00 0.00 C ATOM 237 CD2 TYR A 15 6.398 1.814 -6.933 1.00 0.00 C ATOM 238 CE1 TYR A 15 5.573 -0.807 -6.673 1.00 0.00 C ATOM 239 CE2 TYR A 15 5.344 1.503 -6.093 1.00 0.00 C ATOM 240 CZ TYR A 15 4.936 0.191 -5.968 1.00 0.00 C ATOM 241 OH TYR A 15 3.890 -0.126 -5.130 1.00 0.00 O ATOM 0 H TYR A 15 9.865 1.678 -10.320 1.00 0.00 H new ATOM 0 HA TYR A 15 7.308 0.500 -10.405 1.00 0.00 H new ATOM 0 HB2 TYR A 15 8.952 0.364 -8.534 1.00 0.00 H new ATOM 0 HB3 TYR A 15 8.709 2.068 -8.205 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.119 -1.276 -8.063 1.00 0.00 H new ATOM 0 HD2 TYR A 15 6.715 2.842 -7.028 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.252 -1.833 -6.571 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.843 2.283 -5.538 1.00 0.00 H new ATOM 0 HH TYR A 15 4.201 -0.747 -4.439 1.00 0.00 H new ATOM 251 N LEU A 16 7.389 3.771 -10.329 1.00 0.00 N ATOM 252 CA LEU A 16 6.572 4.973 -10.503 1.00 0.00 C ATOM 253 C LEU A 16 5.724 4.819 -11.761 1.00 0.00 C ATOM 254 O LEU A 16 4.513 5.043 -11.740 1.00 0.00 O ATOM 255 CB LEU A 16 7.477 6.222 -10.592 1.00 0.00 C ATOM 256 CG LEU A 16 6.800 7.593 -10.362 1.00 0.00 C ATOM 257 CD1 LEU A 16 7.855 8.687 -10.203 1.00 0.00 C ATOM 258 CD2 LEU A 16 5.844 7.949 -11.502 1.00 0.00 C ATOM 0 H LEU A 16 8.394 3.940 -10.362 1.00 0.00 H new ATOM 0 HA LEU A 16 5.912 5.101 -9.645 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.279 6.113 -9.862 1.00 0.00 H new ATOM 0 HB3 LEU A 16 7.943 6.234 -11.578 1.00 0.00 H new ATOM 0 HG LEU A 16 6.216 7.521 -9.445 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.363 9.646 -10.042 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.491 8.457 -9.348 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.464 8.739 -11.105 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.388 8.919 -11.305 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.397 7.992 -12.440 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.065 7.190 -11.574 1.00 0.00 H new ATOM 270 N ASP A 17 6.373 4.409 -12.844 1.00 0.00 N ATOM 271 CA ASP A 17 5.698 4.177 -14.116 1.00 0.00 C ATOM 272 C ASP A 17 4.564 3.168 -13.938 1.00 0.00 C ATOM 273 O ASP A 17 3.424 3.414 -14.351 1.00 0.00 O ATOM 274 CB ASP A 17 6.709 3.678 -15.160 1.00 0.00 C ATOM 275 CG ASP A 17 6.070 3.314 -16.492 1.00 0.00 C ATOM 276 OD1 ASP A 17 5.566 4.223 -17.190 1.00 0.00 O ATOM 277 OD2 ASP A 17 6.077 2.119 -16.854 1.00 0.00 O ATOM 0 H ASP A 17 7.377 4.229 -12.866 1.00 0.00 H new ATOM 0 HA ASP A 17 5.268 5.115 -14.467 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.461 4.450 -15.325 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.229 2.806 -14.764 1.00 0.00 H new ATOM 282 N GLN A 18 4.886 2.049 -13.291 1.00 0.00 N ATOM 283 CA GLN A 18 3.902 1.002 -13.006 1.00 0.00 C ATOM 284 C GLN A 18 2.747 1.541 -12.157 1.00 0.00 C ATOM 285 O GLN A 18 1.581 1.489 -12.564 1.00 0.00 O ATOM 286 CB GLN A 18 4.576 -0.162 -12.265 1.00 0.00 C ATOM 287 CG GLN A 18 3.622 -1.296 -11.881 1.00 0.00 C ATOM 288 CD GLN A 18 4.259 -2.327 -10.960 1.00 0.00 C ATOM 289 OE1 GLN A 18 3.930 -3.513 -11.012 1.00 0.00 O ATOM 290 NE2 GLN A 18 5.154 -1.882 -10.088 1.00 0.00 N ATOM 0 H GLN A 18 5.826 1.842 -12.952 1.00 0.00 H new ATOM 0 HA GLN A 18 3.500 0.653 -13.957 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.370 -0.567 -12.893 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.049 0.222 -11.361 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.744 -0.874 -11.392 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.274 -1.793 -12.787 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.403 -0.893 -10.073 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.593 -2.529 -9.433 1.00 0.00 H new ATOM 299 N ILE A 19 3.096 2.077 -10.988 1.00 0.00 N ATOM 300 CA ILE A 19 2.121 2.472 -9.971 1.00 0.00 C ATOM 301 C ILE A 19 1.211 3.587 -10.483 1.00 0.00 C ATOM 302 O ILE A 19 0.040 3.672 -10.107 1.00 0.00 O ATOM 303 CB ILE A 19 2.832 2.935 -8.663 1.00 0.00 C ATOM 304 CG1 ILE A 19 1.861 2.913 -7.471 1.00 0.00 C ATOM 305 CG2 ILE A 19 3.443 4.329 -8.819 1.00 0.00 C ATOM 306 CD1 ILE A 19 1.455 1.517 -7.054 1.00 0.00 C ATOM 0 H ILE A 19 4.064 2.250 -10.719 1.00 0.00 H new ATOM 0 HA ILE A 19 1.511 1.596 -9.750 1.00 0.00 H new ATOM 0 HB ILE A 19 3.640 2.230 -8.468 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.326 3.417 -6.624 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.968 3.482 -7.729 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.930 4.619 -7.888 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.178 4.316 -9.624 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.657 5.046 -9.056 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.770 1.575 -6.208 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.961 1.017 -7.888 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.341 0.951 -6.765 1.00 0.00 H new ATOM 318 N ALA A 20 1.764 4.435 -11.344 1.00 0.00 N ATOM 319 CA ALA A 20 1.025 5.557 -11.898 1.00 0.00 C ATOM 320 C ALA A 20 0.068 5.090 -12.984 1.00 0.00 C ATOM 321 O ALA A 20 -1.126 5.388 -12.937 1.00 0.00 O ATOM 322 CB ALA A 20 1.983 6.611 -12.447 1.00 0.00 C ATOM 0 H ALA A 20 2.727 4.363 -11.673 1.00 0.00 H new ATOM 0 HA ALA A 20 0.438 6.007 -11.097 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.412 7.443 -12.858 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.625 6.973 -11.644 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.597 6.170 -13.232 1.00 0.00 H new ATOM 328 N LYS A 21 0.589 4.335 -13.948 1.00 0.00 N ATOM 329 CA LYS A 21 -0.202 3.963 -15.112 1.00 0.00 C ATOM 330 C LYS A 21 -1.293 2.967 -14.737 1.00 0.00 C ATOM 331 O LYS A 21 -2.469 3.224 -14.976 1.00 0.00 O ATOM 332 CB LYS A 21 0.675 3.375 -16.232 1.00 0.00 C ATOM 333 CG LYS A 21 0.103 3.610 -17.634 1.00 0.00 C ATOM 334 CD LYS A 21 0.407 2.465 -18.598 1.00 0.00 C ATOM 335 CE LYS A 21 -0.478 1.251 -18.325 1.00 0.00 C ATOM 336 NZ LYS A 21 -0.252 0.164 -19.313 1.00 0.00 N ATOM 0 H LYS A 21 1.543 3.974 -13.945 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.667 4.876 -15.484 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.670 3.816 -16.174 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.791 2.304 -16.069 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.977 3.742 -17.563 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.512 4.536 -18.037 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.257 2.802 -19.624 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.455 2.180 -18.506 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.279 0.876 -17.321 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.525 1.553 -18.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.872 -0.641 -19.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.466 0.514 -20.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.741 -0.142 -19.271 1.00 0.00 H new ATOM 350 N PHE A 22 -0.905 1.843 -14.133 1.00 0.00 N ATOM 351 CA PHE A 22 -1.856 0.769 -13.831 1.00 0.00 C ATOM 352 C PHE A 22 -3.087 1.317 -13.117 1.00 0.00 C ATOM 353 O PHE A 22 -4.222 1.059 -13.524 1.00 0.00 O ATOM 354 CB PHE A 22 -1.203 -0.328 -12.973 1.00 0.00 C ATOM 355 CG PHE A 22 -2.181 -1.388 -12.505 1.00 0.00 C ATOM 356 CD1 PHE A 22 -2.638 -2.365 -13.377 1.00 0.00 C ATOM 357 CD2 PHE A 22 -2.656 -1.393 -11.198 1.00 0.00 C ATOM 358 CE1 PHE A 22 -3.545 -3.321 -12.959 1.00 0.00 C ATOM 359 CE2 PHE A 22 -3.560 -2.348 -10.775 1.00 0.00 C ATOM 360 CZ PHE A 22 -4.007 -3.311 -11.657 1.00 0.00 C ATOM 0 H PHE A 22 0.054 1.652 -13.844 1.00 0.00 H new ATOM 0 HA PHE A 22 -2.164 0.331 -14.780 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.410 -0.805 -13.548 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.734 0.132 -12.103 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -2.281 -2.379 -14.396 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.313 -0.640 -10.504 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.892 -4.075 -13.650 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.917 -2.341 -9.756 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.717 -4.056 -11.330 1.00 0.00 H new ATOM 370 N TRP A 23 -2.849 2.097 -12.071 1.00 0.00 N ATOM 371 CA TRP A 23 -3.923 2.609 -11.236 1.00 0.00 C ATOM 372 C TRP A 23 -4.740 3.679 -11.961 1.00 0.00 C ATOM 373 O TRP A 23 -5.968 3.711 -11.846 1.00 0.00 O ATOM 374 CB TRP A 23 -3.354 3.159 -9.922 1.00 0.00 C ATOM 375 CG TRP A 23 -4.403 3.649 -8.965 1.00 0.00 C ATOM 376 CD1 TRP A 23 -4.362 4.794 -8.231 1.00 0.00 C ATOM 377 CD2 TRP A 23 -5.651 3.012 -8.648 1.00 0.00 C ATOM 378 NE1 TRP A 23 -5.504 4.915 -7.478 1.00 0.00 N ATOM 379 CE2 TRP A 23 -6.310 3.831 -7.714 1.00 0.00 C ATOM 380 CE3 TRP A 23 -6.274 1.830 -9.062 1.00 0.00 C ATOM 381 CZ2 TRP A 23 -7.559 3.507 -7.190 1.00 0.00 C ATOM 382 CZ3 TRP A 23 -7.512 1.510 -8.544 1.00 0.00 C ATOM 383 CH2 TRP A 23 -8.144 2.345 -7.615 1.00 0.00 C ATOM 0 H TRP A 23 -1.916 2.389 -11.781 1.00 0.00 H new ATOM 0 HA TRP A 23 -4.597 1.782 -11.011 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -2.768 2.379 -9.436 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.670 3.977 -10.147 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -3.549 5.505 -8.239 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -5.718 5.686 -6.846 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -5.793 1.178 -9.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.049 4.150 -6.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -8.001 0.601 -8.860 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.112 2.067 -7.226 1.00 0.00 H new ATOM 394 N GLU A 24 -4.074 4.544 -12.723 1.00 0.00 N ATOM 395 CA GLU A 24 -4.771 5.631 -13.404 1.00 0.00 C ATOM 396 C GLU A 24 -5.620 5.079 -14.553 1.00 0.00 C ATOM 397 O GLU A 24 -6.714 5.577 -14.836 1.00 0.00 O ATOM 398 CB GLU A 24 -3.774 6.680 -13.915 1.00 0.00 C ATOM 399 CG GLU A 24 -4.436 7.958 -14.419 1.00 0.00 C ATOM 400 CD GLU A 24 -3.429 9.017 -14.838 1.00 0.00 C ATOM 401 OE1 GLU A 24 -3.003 9.821 -13.977 1.00 0.00 O ATOM 402 OE2 GLU A 24 -3.070 9.061 -16.033 1.00 0.00 O ATOM 0 H GLU A 24 -3.067 4.515 -12.883 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.434 6.119 -12.690 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.081 6.932 -13.112 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.183 6.245 -14.721 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.079 7.719 -15.266 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.078 8.363 -13.636 1.00 0.00 H new ATOM 409 N ILE A 25 -5.121 4.027 -15.192 1.00 0.00 N ATOM 410 CA ILE A 25 -5.833 3.377 -16.289 1.00 0.00 C ATOM 411 C ILE A 25 -6.927 2.457 -15.738 1.00 0.00 C ATOM 412 O ILE A 25 -7.846 2.063 -16.454 1.00 0.00 O ATOM 413 CB ILE A 25 -4.861 2.564 -17.193 1.00 0.00 C ATOM 414 CG1 ILE A 25 -3.703 3.457 -17.680 1.00 0.00 C ATOM 415 CG2 ILE A 25 -5.597 1.946 -18.383 1.00 0.00 C ATOM 416 CD1 ILE A 25 -4.144 4.717 -18.396 1.00 0.00 C ATOM 0 H ILE A 25 -4.221 3.603 -14.968 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.290 4.156 -16.898 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.448 1.751 -16.595 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.090 3.736 -16.823 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.069 2.876 -18.350 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -4.891 1.385 -18.996 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.376 1.276 -18.021 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.048 2.737 -18.982 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.267 5.286 -18.704 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.731 4.450 -19.275 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.752 5.323 -17.725 1.00 0.00 H new ATOM 428 N GLN A 26 -6.842 2.159 -14.441 1.00 0.00 N ATOM 429 CA GLN A 26 -7.824 1.307 -13.767 1.00 0.00 C ATOM 430 C GLN A 26 -9.125 2.086 -13.495 1.00 0.00 C ATOM 431 O GLN A 26 -9.963 1.664 -12.695 1.00 0.00 O ATOM 432 CB GLN A 26 -7.224 0.761 -12.457 1.00 0.00 C ATOM 433 CG GLN A 26 -8.047 -0.342 -11.797 1.00 0.00 C ATOM 434 CD GLN A 26 -8.237 -1.557 -12.692 1.00 0.00 C ATOM 435 OE1 GLN A 26 -7.375 -1.890 -13.510 1.00 0.00 O ATOM 436 NE2 GLN A 26 -9.367 -2.227 -12.543 1.00 0.00 N ATOM 0 H GLN A 26 -6.097 2.498 -13.832 1.00 0.00 H new ATOM 0 HA GLN A 26 -8.071 0.467 -14.416 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.224 0.378 -12.662 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.112 1.585 -11.752 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.557 -0.651 -10.874 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.024 0.056 -11.522 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.055 -1.920 -11.856 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.551 -3.051 -13.115 1.00 0.00 H new ATOM 445 N GLY A 27 -9.292 3.221 -14.174 1.00 0.00 N ATOM 446 CA GLY A 27 -10.493 4.021 -14.019 1.00 0.00 C ATOM 447 C GLY A 27 -10.438 4.895 -12.786 1.00 0.00 C ATOM 448 O GLY A 27 -11.464 5.160 -12.153 1.00 0.00 O ATOM 0 H GLY A 27 -8.611 3.600 -14.832 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.628 4.647 -14.901 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.361 3.364 -13.959 1.00 0.00 H new ATOM 452 N SER A 28 -9.237 5.335 -12.439 1.00 0.00 N ATOM 453 CA SER A 28 -9.031 6.165 -11.261 1.00 0.00 C ATOM 454 C SER A 28 -7.855 7.112 -11.488 1.00 0.00 C ATOM 455 O SER A 28 -7.362 7.240 -12.610 1.00 0.00 O ATOM 456 CB SER A 28 -8.793 5.279 -10.028 1.00 0.00 C ATOM 457 OG SER A 28 -8.785 6.044 -8.835 1.00 0.00 O ATOM 0 H SER A 28 -8.385 5.129 -12.961 1.00 0.00 H new ATOM 0 HA SER A 28 -9.924 6.765 -11.084 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.572 4.518 -9.969 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.843 4.755 -10.132 1.00 0.00 H new ATOM 0 HG SER A 28 -8.422 5.504 -8.102 1.00 0.00 H new ATOM 463 N SER A 29 -7.429 7.791 -10.432 1.00 0.00 N ATOM 464 CA SER A 29 -6.265 8.663 -10.488 1.00 0.00 C ATOM 465 C SER A 29 -5.361 8.372 -9.294 1.00 0.00 C ATOM 466 O SER A 29 -5.849 8.175 -8.177 1.00 0.00 O ATOM 467 CB SER A 29 -6.700 10.133 -10.504 1.00 0.00 C ATOM 468 OG SER A 29 -7.522 10.439 -9.387 1.00 0.00 O ATOM 0 H SER A 29 -7.878 7.753 -9.517 1.00 0.00 H new ATOM 0 HA SER A 29 -5.709 8.472 -11.406 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.819 10.775 -10.497 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.242 10.344 -11.426 1.00 0.00 H new ATOM 0 HG SER A 29 -7.783 11.383 -9.422 1.00 0.00 H new ATOM 474 N LEU A 30 -4.053 8.322 -9.531 1.00 0.00 N ATOM 475 CA LEU A 30 -3.101 8.016 -8.470 1.00 0.00 C ATOM 476 C LEU A 30 -3.095 9.125 -7.421 1.00 0.00 C ATOM 477 O LEU A 30 -2.416 10.143 -7.572 1.00 0.00 O ATOM 478 CB LEU A 30 -1.692 7.803 -9.038 1.00 0.00 C ATOM 479 CG LEU A 30 -0.634 7.365 -8.008 1.00 0.00 C ATOM 480 CD1 LEU A 30 -1.041 6.060 -7.328 1.00 0.00 C ATOM 481 CD2 LEU A 30 0.730 7.219 -8.669 1.00 0.00 C ATOM 0 H LEU A 30 -3.631 8.489 -10.444 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.415 7.088 -7.992 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.744 7.051 -9.825 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.361 8.731 -9.505 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.567 8.139 -7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.277 5.773 -6.605 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.992 6.199 -6.814 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.144 5.276 -8.078 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.464 6.909 -7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.674 6.469 -9.458 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.030 8.175 -9.098 1.00 0.00 H new ATOM 493 N LYS A 31 -3.899 8.933 -6.383 1.00 0.00 N ATOM 494 CA LYS A 31 -3.986 9.877 -5.277 1.00 0.00 C ATOM 495 C LYS A 31 -3.287 9.309 -4.047 1.00 0.00 C ATOM 496 O LYS A 31 -3.909 8.645 -3.215 1.00 0.00 O ATOM 497 CB LYS A 31 -5.460 10.196 -4.962 1.00 0.00 C ATOM 498 CG LYS A 31 -6.239 10.846 -6.115 1.00 0.00 C ATOM 499 CD LYS A 31 -6.030 12.364 -6.203 1.00 0.00 C ATOM 500 CE LYS A 31 -4.612 12.750 -6.619 1.00 0.00 C ATOM 501 NZ LYS A 31 -4.426 14.223 -6.660 1.00 0.00 N ATOM 0 H LYS A 31 -4.508 8.120 -6.284 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.487 10.803 -5.564 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -5.964 9.273 -4.677 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -5.497 10.859 -4.098 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.933 10.388 -7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.302 10.638 -5.990 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.739 12.781 -6.918 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.253 12.812 -5.235 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -3.898 12.314 -5.921 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -4.395 12.330 -7.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.451 14.442 -6.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -5.090 14.638 -7.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -4.608 14.622 -5.717 1.00 0.00 H new ATOM 515 N ILE A 32 -1.981 9.536 -3.967 1.00 0.00 N ATOM 516 CA ILE A 32 -1.189 9.114 -2.817 1.00 0.00 C ATOM 517 C ILE A 32 -0.776 10.336 -1.991 1.00 0.00 C ATOM 518 O ILE A 32 0.161 11.054 -2.348 1.00 0.00 O ATOM 519 CB ILE A 32 0.059 8.288 -3.245 1.00 0.00 C ATOM 520 CG1 ILE A 32 0.823 8.986 -4.387 1.00 0.00 C ATOM 521 CG2 ILE A 32 -0.357 6.877 -3.656 1.00 0.00 C ATOM 522 CD1 ILE A 32 2.049 8.229 -4.859 1.00 0.00 C ATOM 0 H ILE A 32 -1.444 10.014 -4.691 1.00 0.00 H new ATOM 0 HA ILE A 32 -1.809 8.461 -2.202 1.00 0.00 H new ATOM 0 HB ILE A 32 0.732 8.219 -2.390 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.147 9.126 -5.231 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.127 9.979 -4.054 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.525 6.310 -3.953 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.841 6.381 -2.815 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.052 6.932 -4.494 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.532 8.784 -5.663 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.746 8.112 -4.029 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.751 7.246 -5.224 1.00 0.00 H new ATOM 534 N PRO A 33 -1.516 10.614 -0.899 1.00 0.00 N ATOM 535 CA PRO A 33 -1.274 11.783 -0.041 1.00 0.00 C ATOM 536 C PRO A 33 -0.004 11.645 0.797 1.00 0.00 C ATOM 537 O PRO A 33 0.779 10.703 0.629 1.00 0.00 O ATOM 538 CB PRO A 33 -2.521 11.834 0.871 1.00 0.00 C ATOM 539 CG PRO A 33 -3.492 10.872 0.269 1.00 0.00 C ATOM 540 CD PRO A 33 -2.657 9.828 -0.413 1.00 0.00 C ATOM 0 HA PRO A 33 -1.125 12.688 -0.630 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.271 11.552 1.894 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.938 12.840 0.910 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.128 10.427 1.034 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -4.150 11.373 -0.441 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.346 9.042 0.275 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.195 9.344 -1.228 1.00 0.00 H new ATOM 548 N ASN A 34 0.187 12.589 1.712 1.00 0.00 N ATOM 549 CA ASN A 34 1.352 12.598 2.583 1.00 0.00 C ATOM 550 C ASN A 34 0.955 12.957 3.997 1.00 0.00 C ATOM 551 O ASN A 34 -0.093 13.561 4.233 1.00 0.00 O ATOM 552 CB ASN A 34 2.412 13.584 2.070 1.00 0.00 C ATOM 553 CG ASN A 34 1.975 15.036 2.164 1.00 0.00 C ATOM 554 OD1 ASN A 34 2.232 15.712 3.160 1.00 0.00 O ATOM 555 ND2 ASN A 34 1.308 15.525 1.129 1.00 0.00 N ATOM 0 H ASN A 34 -0.458 13.364 1.869 1.00 0.00 H new ATOM 0 HA ASN A 34 1.780 11.596 2.580 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.330 13.450 2.642 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.646 13.348 1.032 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.988 16.494 1.140 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.114 14.933 0.321 1.00 0.00 H new ATOM 562 N VAL A 35 1.801 12.561 4.927 1.00 0.00 N ATOM 563 CA VAL A 35 1.623 12.874 6.330 1.00 0.00 C ATOM 564 C VAL A 35 2.994 13.156 6.941 1.00 0.00 C ATOM 565 O VAL A 35 3.978 12.513 6.565 1.00 0.00 O ATOM 566 CB VAL A 35 0.907 11.721 7.090 1.00 0.00 C ATOM 567 CG1 VAL A 35 1.697 10.420 6.989 1.00 0.00 C ATOM 568 CG2 VAL A 35 0.658 12.098 8.551 1.00 0.00 C ATOM 0 H VAL A 35 2.636 12.010 4.729 1.00 0.00 H new ATOM 0 HA VAL A 35 0.985 13.753 6.421 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.061 11.561 6.615 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.172 9.633 7.530 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.798 10.136 5.942 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.687 10.561 7.424 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.156 11.274 9.059 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.610 12.301 9.042 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.030 12.988 8.595 1.00 0.00 H new ATOM 578 N GLU A 36 3.074 14.142 7.841 1.00 0.00 N ATOM 579 CA GLU A 36 4.358 14.538 8.426 1.00 0.00 C ATOM 580 C GLU A 36 5.283 15.067 7.335 1.00 0.00 C ATOM 581 O GLU A 36 6.504 15.018 7.469 1.00 0.00 O ATOM 582 CB GLU A 36 5.008 13.363 9.172 1.00 0.00 C ATOM 583 CG GLU A 36 4.153 12.800 10.304 1.00 0.00 C ATOM 584 CD GLU A 36 3.776 13.850 11.339 1.00 0.00 C ATOM 585 OE1 GLU A 36 4.637 14.197 12.178 1.00 0.00 O ATOM 586 OE2 GLU A 36 2.623 14.333 11.317 1.00 0.00 O ATOM 0 H GLU A 36 2.272 14.676 8.177 1.00 0.00 H new ATOM 0 HA GLU A 36 4.181 15.332 9.152 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.220 12.566 8.459 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.965 13.689 9.580 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.245 12.367 9.886 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.695 11.992 10.795 1.00 0.00 H new ATOM 593 N ARG A 37 4.655 15.517 6.244 1.00 0.00 N ATOM 594 CA ARG A 37 5.313 16.071 5.047 1.00 0.00 C ATOM 595 C ARG A 37 6.108 15.003 4.298 1.00 0.00 C ATOM 596 O ARG A 37 6.906 15.309 3.408 1.00 0.00 O ATOM 597 CB ARG A 37 6.177 17.314 5.371 1.00 0.00 C ATOM 598 CG ARG A 37 7.578 17.032 5.926 1.00 0.00 C ATOM 599 CD ARG A 37 7.864 17.867 7.168 1.00 0.00 C ATOM 600 NE ARG A 37 7.738 19.301 6.896 1.00 0.00 N ATOM 601 CZ ARG A 37 7.316 20.205 7.781 1.00 0.00 C ATOM 602 NH1 ARG A 37 6.997 19.841 9.019 1.00 0.00 N ATOM 603 NH2 ARG A 37 7.213 21.476 7.420 1.00 0.00 N ATOM 0 H ARG A 37 3.638 15.507 6.163 1.00 0.00 H new ATOM 0 HA ARG A 37 4.520 16.412 4.381 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.280 17.907 4.462 1.00 0.00 H new ATOM 0 HB3 ARG A 37 5.639 17.928 6.093 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.668 15.973 6.169 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.324 17.248 5.161 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.174 17.585 7.963 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.870 17.652 7.528 1.00 0.00 H new ATOM 0 HE ARG A 37 7.991 19.631 5.965 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.074 18.863 9.299 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.675 20.539 9.689 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.456 21.758 6.470 1.00 0.00 H new ATOM 0 HH22 ARG A 37 6.891 22.173 8.092 1.00 0.00 H new ATOM 617 N ARG A 38 5.850 13.744 4.636 1.00 0.00 N ATOM 618 CA ARG A 38 6.414 12.616 3.908 1.00 0.00 C ATOM 619 C ARG A 38 5.311 11.869 3.180 1.00 0.00 C ATOM 620 O ARG A 38 4.256 11.585 3.753 1.00 0.00 O ATOM 621 CB ARG A 38 7.183 11.673 4.839 1.00 0.00 C ATOM 622 CG ARG A 38 8.606 12.134 5.120 1.00 0.00 C ATOM 623 CD ARG A 38 9.365 11.144 5.995 1.00 0.00 C ATOM 624 NE ARG A 38 8.744 10.983 7.312 1.00 0.00 N ATOM 625 CZ ARG A 38 8.556 9.808 7.916 1.00 0.00 C ATOM 626 NH1 ARG A 38 8.937 8.682 7.327 1.00 0.00 N ATOM 627 NH2 ARG A 38 7.994 9.763 9.117 1.00 0.00 N ATOM 0 H ARG A 38 5.249 13.479 5.416 1.00 0.00 H new ATOM 0 HA ARG A 38 7.125 13.003 3.178 1.00 0.00 H new ATOM 0 HB2 ARG A 38 6.644 11.585 5.782 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.212 10.678 4.394 1.00 0.00 H new ATOM 0 HG2 ARG A 38 9.137 12.266 4.177 1.00 0.00 H new ATOM 0 HG3 ARG A 38 8.582 13.107 5.611 1.00 0.00 H new ATOM 0 HD2 ARG A 38 9.408 10.177 5.494 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.393 11.484 6.119 1.00 0.00 H new ATOM 0 HE ARG A 38 8.435 11.824 7.799 1.00 0.00 H new ATOM 0 HH11 ARG A 38 9.377 8.711 6.407 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.790 7.787 7.794 1.00 0.00 H new ATOM 0 HH21 ARG A 38 7.706 10.626 9.578 1.00 0.00 H new ATOM 0 HH22 ARG A 38 7.850 8.865 9.579 1.00 0.00 H new ATOM 641 N ILE A 39 5.556 11.566 1.914 1.00 0.00 N ATOM 642 CA ILE A 39 4.551 10.933 1.067 1.00 0.00 C ATOM 643 C ILE A 39 4.351 9.473 1.460 1.00 0.00 C ATOM 644 O ILE A 39 5.276 8.817 1.952 1.00 0.00 O ATOM 645 CB ILE A 39 4.928 11.015 -0.437 1.00 0.00 C ATOM 646 CG1 ILE A 39 3.754 10.544 -1.316 1.00 0.00 C ATOM 647 CG2 ILE A 39 6.184 10.190 -0.730 1.00 0.00 C ATOM 648 CD1 ILE A 39 4.021 10.635 -2.802 1.00 0.00 C ATOM 0 H ILE A 39 6.445 11.748 1.448 1.00 0.00 H new ATOM 0 HA ILE A 39 3.620 11.480 1.219 1.00 0.00 H new ATOM 0 HB ILE A 39 5.142 12.056 -0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.516 9.511 -1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 39 2.874 11.141 -1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 39 6.428 10.263 -1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.016 10.572 -0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 39 6.003 9.147 -0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.147 10.285 -3.351 1.00 0.00 H new ATOM 0 HD12 ILE A 39 4.228 11.671 -3.072 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.881 10.015 -3.056 1.00 0.00 H new ATOM 660 N LEU A 40 3.137 8.976 1.259 1.00 0.00 N ATOM 661 CA LEU A 40 2.840 7.576 1.505 1.00 0.00 C ATOM 662 C LEU A 40 3.550 6.723 0.452 1.00 0.00 C ATOM 663 O LEU A 40 3.075 6.589 -0.679 1.00 0.00 O ATOM 664 CB LEU A 40 1.320 7.338 1.477 1.00 0.00 C ATOM 665 CG LEU A 40 0.864 5.944 1.944 1.00 0.00 C ATOM 666 CD1 LEU A 40 1.346 5.669 3.367 1.00 0.00 C ATOM 667 CD2 LEU A 40 -0.659 5.814 1.851 1.00 0.00 C ATOM 0 H LEU A 40 2.344 9.524 0.926 1.00 0.00 H new ATOM 0 HA LEU A 40 3.200 7.292 2.494 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.840 8.089 2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.963 7.497 0.460 1.00 0.00 H new ATOM 0 HG LEU A 40 1.309 5.199 1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.014 4.679 3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.435 5.712 3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.934 6.419 4.042 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.961 4.821 2.186 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.128 6.568 2.483 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.974 5.960 0.818 1.00 0.00 H new ATOM 679 N ASP A 41 4.710 6.181 0.820 1.00 0.00 N ATOM 680 CA ASP A 41 5.540 5.424 -0.115 1.00 0.00 C ATOM 681 C ASP A 41 4.882 4.080 -0.425 1.00 0.00 C ATOM 682 O ASP A 41 5.057 3.096 0.300 1.00 0.00 O ATOM 683 CB ASP A 41 6.956 5.227 0.457 1.00 0.00 C ATOM 684 CG ASP A 41 7.939 4.646 -0.559 1.00 0.00 C ATOM 685 OD1 ASP A 41 8.017 3.407 -0.681 1.00 0.00 O ATOM 686 OD2 ASP A 41 8.657 5.427 -1.226 1.00 0.00 O ATOM 0 H ASP A 41 5.097 6.252 1.761 1.00 0.00 H new ATOM 0 HA ASP A 41 5.631 5.987 -1.044 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.334 6.186 0.812 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.903 4.565 1.322 1.00 0.00 H new ATOM 691 N LEU A 42 4.090 4.076 -1.498 1.00 0.00 N ATOM 692 CA LEU A 42 3.311 2.909 -1.920 1.00 0.00 C ATOM 693 C LEU A 42 4.201 1.669 -2.057 1.00 0.00 C ATOM 694 O LEU A 42 3.760 0.546 -1.813 1.00 0.00 O ATOM 695 CB LEU A 42 2.615 3.223 -3.265 1.00 0.00 C ATOM 696 CG LEU A 42 1.191 2.658 -3.451 1.00 0.00 C ATOM 697 CD1 LEU A 42 1.180 1.129 -3.449 1.00 0.00 C ATOM 698 CD2 LEU A 42 0.252 3.211 -2.379 1.00 0.00 C ATOM 0 H LEU A 42 3.970 4.888 -2.104 1.00 0.00 H new ATOM 0 HA LEU A 42 2.560 2.693 -1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.570 4.306 -3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.242 2.841 -4.071 1.00 0.00 H new ATOM 0 HG LEU A 42 0.833 2.981 -4.429 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.159 0.772 -3.582 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.803 0.760 -4.264 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.571 0.764 -2.499 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.748 2.802 -2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.619 2.928 -1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.214 4.298 -2.454 1.00 0.00 H new ATOM 710 N TYR A 43 5.457 1.893 -2.431 1.00 0.00 N ATOM 711 CA TYR A 43 6.407 0.808 -2.663 1.00 0.00 C ATOM 712 C TYR A 43 6.614 0.005 -1.380 1.00 0.00 C ATOM 713 O TYR A 43 6.394 -1.212 -1.344 1.00 0.00 O ATOM 714 CB TYR A 43 7.746 1.389 -3.147 1.00 0.00 C ATOM 715 CG TYR A 43 8.569 0.462 -4.024 1.00 0.00 C ATOM 716 CD1 TYR A 43 8.586 -0.916 -3.831 1.00 0.00 C ATOM 717 CD2 TYR A 43 9.329 0.983 -5.062 1.00 0.00 C ATOM 718 CE1 TYR A 43 9.339 -1.742 -4.648 1.00 0.00 C ATOM 719 CE2 TYR A 43 10.079 0.170 -5.879 1.00 0.00 C ATOM 720 CZ TYR A 43 10.084 -1.193 -5.672 1.00 0.00 C ATOM 721 OH TYR A 43 10.835 -2.008 -6.490 1.00 0.00 O ATOM 0 H TYR A 43 5.844 2.825 -2.581 1.00 0.00 H new ATOM 0 HA TYR A 43 6.009 0.142 -3.428 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.548 2.307 -3.700 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.341 1.664 -2.276 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.003 -1.348 -3.031 1.00 0.00 H new ATOM 0 HD2 TYR A 43 9.331 2.050 -5.232 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.343 -2.810 -4.485 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.663 0.598 -6.681 1.00 0.00 H new ATOM 0 HH TYR A 43 11.298 -1.462 -7.160 1.00 0.00 H new ATOM 731 N SER A 44 7.023 0.706 -0.325 1.00 0.00 N ATOM 732 CA SER A 44 7.272 0.085 0.967 1.00 0.00 C ATOM 733 C SER A 44 6.000 -0.567 1.497 1.00 0.00 C ATOM 734 O SER A 44 6.042 -1.663 2.050 1.00 0.00 O ATOM 735 CB SER A 44 7.803 1.123 1.962 1.00 0.00 C ATOM 736 OG SER A 44 8.988 1.730 1.473 1.00 0.00 O ATOM 0 H SER A 44 7.189 1.712 -0.344 1.00 0.00 H new ATOM 0 HA SER A 44 8.028 -0.690 0.842 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.044 1.886 2.138 1.00 0.00 H new ATOM 0 HB3 SER A 44 8.003 0.645 2.921 1.00 0.00 H new ATOM 0 HG SER A 44 8.765 2.339 0.738 1.00 0.00 H new ATOM 742 N LEU A 45 4.871 0.105 1.302 1.00 0.00 N ATOM 743 CA LEU A 45 3.580 -0.427 1.716 1.00 0.00 C ATOM 744 C LEU A 45 3.334 -1.781 1.057 1.00 0.00 C ATOM 745 O LEU A 45 3.041 -2.766 1.733 1.00 0.00 O ATOM 746 CB LEU A 45 2.452 0.553 1.351 1.00 0.00 C ATOM 747 CG LEU A 45 1.022 0.036 1.601 1.00 0.00 C ATOM 748 CD1 LEU A 45 0.827 -0.351 3.065 1.00 0.00 C ATOM 749 CD2 LEU A 45 -0.011 1.078 1.172 1.00 0.00 C ATOM 0 H LEU A 45 4.825 1.022 0.858 1.00 0.00 H new ATOM 0 HA LEU A 45 3.589 -0.558 2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.593 1.472 1.921 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.547 0.814 0.297 1.00 0.00 H new ATOM 0 HG LEU A 45 0.876 -0.859 0.996 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.191 -0.712 3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.534 -1.137 3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.999 0.520 3.698 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.014 0.693 1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.137 1.994 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.106 1.290 0.109 1.00 0.00 H new ATOM 761 N SER A 46 3.490 -1.822 -0.262 1.00 0.00 N ATOM 762 CA SER A 46 3.245 -3.032 -1.035 1.00 0.00 C ATOM 763 C SER A 46 4.128 -4.180 -0.541 1.00 0.00 C ATOM 764 O SER A 46 3.629 -5.257 -0.196 1.00 0.00 O ATOM 765 CB SER A 46 3.498 -2.766 -2.526 1.00 0.00 C ATOM 766 OG SER A 46 3.166 -3.898 -3.314 1.00 0.00 O ATOM 0 H SER A 46 3.788 -1.023 -0.821 1.00 0.00 H new ATOM 0 HA SER A 46 2.203 -3.323 -0.900 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.908 -1.909 -2.850 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.546 -2.508 -2.679 1.00 0.00 H new ATOM 0 HG SER A 46 3.336 -3.700 -4.259 1.00 0.00 H new ATOM 772 N LYS A 47 5.438 -3.935 -0.470 1.00 0.00 N ATOM 773 CA LYS A 47 6.385 -4.987 -0.102 1.00 0.00 C ATOM 774 C LYS A 47 6.171 -5.435 1.343 1.00 0.00 C ATOM 775 O LYS A 47 6.370 -6.604 1.669 1.00 0.00 O ATOM 776 CB LYS A 47 7.837 -4.531 -0.316 1.00 0.00 C ATOM 777 CG LYS A 47 8.230 -3.304 0.496 1.00 0.00 C ATOM 778 CD LYS A 47 9.688 -2.913 0.273 1.00 0.00 C ATOM 779 CE LYS A 47 10.648 -3.986 0.776 1.00 0.00 C ATOM 780 NZ LYS A 47 12.070 -3.574 0.633 1.00 0.00 N ATOM 0 H LYS A 47 5.863 -3.027 -0.660 1.00 0.00 H new ATOM 0 HA LYS A 47 6.200 -5.839 -0.756 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.506 -5.353 -0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.987 -4.316 -1.374 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.585 -2.468 0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 47 8.066 -3.503 1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.859 -2.742 -0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.894 -1.973 0.785 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.436 -4.199 1.824 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.481 -4.910 0.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.688 -4.332 0.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.280 -3.395 -0.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.237 -2.707 1.182 1.00 0.00 H new ATOM 794 N ILE A 48 5.748 -4.509 2.207 1.00 0.00 N ATOM 795 CA ILE A 48 5.477 -4.845 3.604 1.00 0.00 C ATOM 796 C ILE A 48 4.223 -5.710 3.718 1.00 0.00 C ATOM 797 O ILE A 48 4.210 -6.685 4.463 1.00 0.00 O ATOM 798 CB ILE A 48 5.331 -3.582 4.495 1.00 0.00 C ATOM 799 CG1 ILE A 48 6.694 -2.888 4.660 1.00 0.00 C ATOM 800 CG2 ILE A 48 4.743 -3.941 5.862 1.00 0.00 C ATOM 801 CD1 ILE A 48 6.645 -1.638 5.511 1.00 0.00 C ATOM 0 H ILE A 48 5.587 -3.531 1.966 1.00 0.00 H new ATOM 0 HA ILE A 48 6.337 -5.408 3.966 1.00 0.00 H new ATOM 0 HB ILE A 48 4.644 -2.894 4.003 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.398 -3.592 5.105 1.00 0.00 H new ATOM 0 HG13 ILE A 48 7.081 -2.630 3.674 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.651 -3.039 6.467 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.759 -4.390 5.728 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.400 -4.650 6.366 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.643 -1.206 5.581 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.968 -0.915 5.057 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.289 -1.891 6.510 1.00 0.00 H new ATOM 813 N VAL A 49 3.177 -5.362 2.970 1.00 0.00 N ATOM 814 CA VAL A 49 1.952 -6.161 2.953 1.00 0.00 C ATOM 815 C VAL A 49 2.269 -7.587 2.500 1.00 0.00 C ATOM 816 O VAL A 49 1.759 -8.559 3.063 1.00 0.00 O ATOM 817 CB VAL A 49 0.869 -5.540 2.029 1.00 0.00 C ATOM 818 CG1 VAL A 49 -0.344 -6.463 1.903 1.00 0.00 C ATOM 819 CG2 VAL A 49 0.444 -4.167 2.548 1.00 0.00 C ATOM 0 H VAL A 49 3.152 -4.537 2.371 1.00 0.00 H new ATOM 0 HA VAL A 49 1.551 -6.177 3.967 1.00 0.00 H new ATOM 0 HB VAL A 49 1.304 -5.418 1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.086 -6.002 1.250 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.032 -7.418 1.480 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.780 -6.627 2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.315 -3.748 1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.035 -4.269 3.553 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.309 -3.504 2.574 1.00 0.00 H new ATOM 829 N VAL A 50 3.132 -7.700 1.489 1.00 0.00 N ATOM 830 CA VAL A 50 3.607 -9.002 1.022 1.00 0.00 C ATOM 831 C VAL A 50 4.443 -9.685 2.108 1.00 0.00 C ATOM 832 O VAL A 50 4.362 -10.898 2.301 1.00 0.00 O ATOM 833 CB VAL A 50 4.451 -8.872 -0.275 1.00 0.00 C ATOM 834 CG1 VAL A 50 4.978 -10.234 -0.732 1.00 0.00 C ATOM 835 CG2 VAL A 50 3.633 -8.211 -1.383 1.00 0.00 C ATOM 0 H VAL A 50 3.516 -6.905 0.978 1.00 0.00 H new ATOM 0 HA VAL A 50 2.729 -9.608 0.800 1.00 0.00 H new ATOM 0 HB VAL A 50 5.310 -8.239 -0.054 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.565 -10.110 -1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.606 -10.662 0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.139 -10.901 -0.929 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.241 -8.128 -2.284 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.751 -8.816 -1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.323 -7.217 -1.062 1.00 0.00 H new ATOM 845 N GLU A 51 5.238 -8.888 2.819 1.00 0.00 N ATOM 846 CA GLU A 51 6.075 -9.388 3.910 1.00 0.00 C ATOM 847 C GLU A 51 5.203 -9.886 5.067 1.00 0.00 C ATOM 848 O GLU A 51 5.574 -10.817 5.790 1.00 0.00 O ATOM 849 CB GLU A 51 7.021 -8.275 4.389 1.00 0.00 C ATOM 850 CG GLU A 51 8.005 -8.705 5.471 1.00 0.00 C ATOM 851 CD GLU A 51 8.885 -7.557 5.942 1.00 0.00 C ATOM 852 OE1 GLU A 51 9.836 -7.191 5.221 1.00 0.00 O ATOM 853 OE2 GLU A 51 8.620 -7.003 7.032 1.00 0.00 O ATOM 0 H GLU A 51 5.321 -7.884 2.658 1.00 0.00 H new ATOM 0 HA GLU A 51 6.670 -10.226 3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.582 -7.899 3.534 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.424 -7.446 4.767 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.454 -9.109 6.320 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.634 -9.508 5.088 1.00 0.00 H new ATOM 860 N GLU A 52 4.044 -9.255 5.226 1.00 0.00 N ATOM 861 CA GLU A 52 3.083 -9.623 6.262 1.00 0.00 C ATOM 862 C GLU A 52 2.251 -10.825 5.812 1.00 0.00 C ATOM 863 O GLU A 52 1.811 -11.631 6.634 1.00 0.00 O ATOM 864 CB GLU A 52 2.179 -8.426 6.582 1.00 0.00 C ATOM 865 CG GLU A 52 2.916 -7.226 7.179 1.00 0.00 C ATOM 866 CD GLU A 52 3.539 -7.506 8.543 1.00 0.00 C ATOM 867 OE1 GLU A 52 4.614 -8.145 8.596 1.00 0.00 O ATOM 868 OE2 GLU A 52 2.986 -7.054 9.563 1.00 0.00 O ATOM 0 H GLU A 52 3.744 -8.475 4.641 1.00 0.00 H new ATOM 0 HA GLU A 52 3.623 -9.903 7.166 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.675 -8.111 5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.404 -8.746 7.279 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.699 -6.912 6.489 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.220 -6.392 7.272 1.00 0.00 H new ATOM 875 N GLY A 53 2.031 -10.931 4.503 1.00 0.00 N ATOM 876 CA GLY A 53 1.407 -12.116 3.931 1.00 0.00 C ATOM 877 C GLY A 53 -0.009 -11.889 3.425 1.00 0.00 C ATOM 878 O GLY A 53 -0.562 -12.747 2.734 1.00 0.00 O ATOM 0 H GLY A 53 2.276 -10.212 3.823 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.023 -12.476 3.107 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.390 -12.904 4.684 1.00 0.00 H new ATOM 882 N GLY A 54 -0.607 -10.748 3.756 1.00 0.00 N ATOM 883 CA GLY A 54 -1.950 -10.457 3.272 1.00 0.00 C ATOM 884 C GLY A 54 -2.581 -9.258 3.954 1.00 0.00 C ATOM 885 O GLY A 54 -2.463 -9.100 5.169 1.00 0.00 O ATOM 0 H GLY A 54 -0.193 -10.025 4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.912 -10.278 2.197 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.583 -11.331 3.427 1.00 0.00 H new ATOM 889 N TYR A 55 -3.270 -8.432 3.166 1.00 0.00 N ATOM 890 CA TYR A 55 -3.954 -7.241 3.671 1.00 0.00 C ATOM 891 C TYR A 55 -4.876 -7.573 4.844 1.00 0.00 C ATOM 892 O TYR A 55 -4.795 -6.945 5.904 1.00 0.00 O ATOM 893 CB TYR A 55 -4.761 -6.584 2.537 1.00 0.00 C ATOM 894 CG TYR A 55 -5.808 -5.592 3.009 1.00 0.00 C ATOM 895 CD1 TYR A 55 -5.438 -4.406 3.622 1.00 0.00 C ATOM 896 CD2 TYR A 55 -7.165 -5.851 2.854 1.00 0.00 C ATOM 897 CE1 TYR A 55 -6.385 -3.503 4.063 1.00 0.00 C ATOM 898 CE2 TYR A 55 -8.118 -4.954 3.295 1.00 0.00 C ATOM 899 CZ TYR A 55 -7.722 -3.781 3.900 1.00 0.00 C ATOM 900 OH TYR A 55 -8.667 -2.888 4.347 1.00 0.00 O ATOM 0 H TYR A 55 -3.370 -8.570 2.160 1.00 0.00 H new ATOM 0 HA TYR A 55 -3.195 -6.547 4.032 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.071 -6.074 1.864 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.253 -7.365 1.957 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.390 -4.184 3.757 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -7.479 -6.769 2.381 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -6.077 -2.581 4.534 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.168 -5.171 3.166 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.398 -3.375 4.782 1.00 0.00 H new ATOM 910 N GLU A 56 -5.745 -8.563 4.644 1.00 0.00 N ATOM 911 CA GLU A 56 -6.741 -8.935 5.647 1.00 0.00 C ATOM 912 C GLU A 56 -6.090 -9.173 7.006 1.00 0.00 C ATOM 913 O GLU A 56 -6.529 -8.621 8.013 1.00 0.00 O ATOM 914 CB GLU A 56 -7.524 -10.178 5.190 1.00 0.00 C ATOM 915 CG GLU A 56 -8.552 -10.685 6.208 1.00 0.00 C ATOM 916 CD GLU A 56 -7.977 -11.707 7.185 1.00 0.00 C ATOM 917 OE1 GLU A 56 -7.442 -12.738 6.730 1.00 0.00 O ATOM 918 OE2 GLU A 56 -8.052 -11.486 8.413 1.00 0.00 O ATOM 0 H GLU A 56 -5.779 -9.124 3.793 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.441 -8.106 5.755 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.038 -9.947 4.257 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.817 -10.979 4.975 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.947 -9.838 6.769 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.391 -11.133 5.675 1.00 0.00 H new ATOM 925 N ALA A 57 -5.022 -9.964 7.023 1.00 0.00 N ATOM 926 CA ALA A 57 -4.352 -10.309 8.270 1.00 0.00 C ATOM 927 C ALA A 57 -3.848 -9.057 8.976 1.00 0.00 C ATOM 928 O ALA A 57 -4.075 -8.873 10.171 1.00 0.00 O ATOM 929 CB ALA A 57 -3.207 -11.282 8.009 1.00 0.00 C ATOM 0 H ALA A 57 -4.603 -10.377 6.189 1.00 0.00 H new ATOM 0 HA ALA A 57 -5.074 -10.798 8.924 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.718 -11.529 8.951 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.599 -12.192 7.554 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.485 -10.822 7.335 1.00 0.00 H new ATOM 935 N ILE A 58 -3.194 -8.181 8.220 1.00 0.00 N ATOM 936 CA ILE A 58 -2.647 -6.945 8.775 1.00 0.00 C ATOM 937 C ILE A 58 -3.763 -6.084 9.351 1.00 0.00 C ATOM 938 O ILE A 58 -3.604 -5.443 10.390 1.00 0.00 O ATOM 939 CB ILE A 58 -1.905 -6.113 7.702 1.00 0.00 C ATOM 940 CG1 ILE A 58 -0.985 -6.997 6.856 1.00 0.00 C ATOM 941 CG2 ILE A 58 -1.106 -4.988 8.353 1.00 0.00 C ATOM 942 CD1 ILE A 58 -0.379 -6.273 5.672 1.00 0.00 C ATOM 0 H ILE A 58 -3.029 -8.303 7.221 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.943 -7.234 9.555 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.654 -5.674 7.043 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.183 -7.382 7.486 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.550 -7.857 6.496 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.591 -4.414 7.582 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.782 -4.333 8.903 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.373 -5.412 9.040 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.262 -6.957 5.116 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.175 -5.911 5.021 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.213 -5.429 6.026 1.00 0.00 H new ATOM 954 N CYS A 59 -4.898 -6.088 8.665 1.00 0.00 N ATOM 955 CA CYS A 59 -6.021 -5.241 9.027 1.00 0.00 C ATOM 956 C CYS A 59 -6.722 -5.775 10.270 1.00 0.00 C ATOM 957 O CYS A 59 -6.966 -5.036 11.224 1.00 0.00 O ATOM 958 CB CYS A 59 -7.008 -5.151 7.855 1.00 0.00 C ATOM 959 SG CYS A 59 -8.248 -3.848 8.034 1.00 0.00 S ATOM 0 H CYS A 59 -5.064 -6.675 7.848 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.645 -4.243 9.252 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.449 -4.982 6.935 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -7.516 -6.109 7.747 1.00 0.00 H new ATOM 0 HG CYS A 59 -8.434 -3.596 9.296 1.00 0.00 H new ATOM 965 N LYS A 60 -7.000 -7.072 10.270 1.00 0.00 N ATOM 966 CA LYS A 60 -7.786 -7.688 11.328 1.00 0.00 C ATOM 967 C LYS A 60 -6.921 -7.972 12.554 1.00 0.00 C ATOM 968 O LYS A 60 -7.440 -8.189 13.651 1.00 0.00 O ATOM 969 CB LYS A 60 -8.442 -8.975 10.805 1.00 0.00 C ATOM 970 CG LYS A 60 -9.318 -8.751 9.569 1.00 0.00 C ATOM 971 CD LYS A 60 -10.559 -7.903 9.864 1.00 0.00 C ATOM 972 CE LYS A 60 -11.750 -8.748 10.318 1.00 0.00 C ATOM 973 NZ LYS A 60 -11.482 -9.496 11.576 1.00 0.00 N ATOM 0 H LYS A 60 -6.691 -7.719 9.545 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.570 -6.995 11.634 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -7.664 -9.699 10.563 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -9.049 -9.413 11.597 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.727 -8.263 8.794 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -9.630 -9.717 9.171 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.321 -7.172 10.637 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -10.834 -7.344 8.970 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.614 -8.100 10.463 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -12.010 -9.454 9.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -12.383 -9.798 11.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.901 -10.332 11.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.975 -8.881 12.244 1.00 0.00 H new ATOM 987 N ASP A 61 -5.600 -7.970 12.368 1.00 0.00 N ATOM 988 CA ASP A 61 -4.670 -8.157 13.483 1.00 0.00 C ATOM 989 C ASP A 61 -3.998 -6.829 13.842 1.00 0.00 C ATOM 990 O ASP A 61 -3.188 -6.762 14.767 1.00 0.00 O ATOM 991 CB ASP A 61 -3.626 -9.232 13.136 1.00 0.00 C ATOM 992 CG ASP A 61 -2.777 -9.656 14.328 1.00 0.00 C ATOM 993 OD1 ASP A 61 -3.331 -9.843 15.433 1.00 0.00 O ATOM 994 OD2 ASP A 61 -1.551 -9.818 14.169 1.00 0.00 O ATOM 0 H ASP A 61 -5.152 -7.842 11.461 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.228 -8.500 14.354 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.136 -10.107 12.733 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -2.973 -8.853 12.350 1.00 0.00 H new ATOM 999 N ARG A 62 -4.340 -5.774 13.091 1.00 0.00 N ATOM 1000 CA ARG A 62 -3.891 -4.409 13.390 1.00 0.00 C ATOM 1001 C ARG A 62 -2.364 -4.283 13.344 1.00 0.00 C ATOM 1002 O ARG A 62 -1.759 -3.581 14.159 1.00 0.00 O ATOM 1003 CB ARG A 62 -4.433 -3.953 14.757 1.00 0.00 C ATOM 1004 CG ARG A 62 -5.950 -3.765 14.785 1.00 0.00 C ATOM 1005 CD ARG A 62 -6.435 -3.273 16.144 1.00 0.00 C ATOM 1006 NE ARG A 62 -5.717 -2.068 16.576 1.00 0.00 N ATOM 1007 CZ ARG A 62 -6.193 -1.169 17.436 1.00 0.00 C ATOM 1008 NH1 ARG A 62 -7.409 -1.305 17.951 1.00 0.00 N ATOM 1009 NH2 ARG A 62 -5.442 -0.131 17.781 1.00 0.00 N ATOM 0 H ARG A 62 -4.932 -5.842 12.264 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.292 -3.756 12.615 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.153 -4.687 15.512 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.954 -3.013 15.033 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.242 -3.051 14.015 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -6.438 -4.710 14.545 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.503 -3.061 16.094 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.301 -4.061 16.885 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.787 -1.907 16.190 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.988 -2.103 17.689 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.765 -0.611 18.609 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.507 -0.025 17.388 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.800 0.561 18.439 1.00 0.00 H new ATOM 1023 N ARG A 63 -1.746 -4.933 12.363 1.00 0.00 N ATOM 1024 CA ARG A 63 -0.294 -4.873 12.199 1.00 0.00 C ATOM 1025 C ARG A 63 0.127 -3.582 11.491 1.00 0.00 C ATOM 1026 O ARG A 63 1.318 -3.303 11.351 1.00 0.00 O ATOM 1027 CB ARG A 63 0.217 -6.100 11.430 1.00 0.00 C ATOM 1028 CG ARG A 63 0.112 -7.409 12.206 1.00 0.00 C ATOM 1029 CD ARG A 63 0.967 -7.388 13.469 1.00 0.00 C ATOM 1030 NE ARG A 63 0.939 -8.670 14.172 1.00 0.00 N ATOM 1031 CZ ARG A 63 1.684 -8.961 15.239 1.00 0.00 C ATOM 1032 NH1 ARG A 63 2.503 -8.058 15.755 1.00 0.00 N ATOM 1033 NH2 ARG A 63 1.605 -10.159 15.797 1.00 0.00 N ATOM 0 H ARG A 63 -2.225 -5.507 11.669 1.00 0.00 H new ATOM 0 HA ARG A 63 0.155 -4.876 13.192 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.346 -6.194 10.502 1.00 0.00 H new ATOM 0 HB3 ARG A 63 1.259 -5.935 11.155 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.929 -7.590 12.474 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.425 -8.236 11.569 1.00 0.00 H new ATOM 0 HD2 ARG A 63 1.996 -7.141 13.206 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.611 -6.602 14.135 1.00 0.00 H new ATOM 0 HE ARG A 63 0.307 -9.390 13.823 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.568 -7.130 15.336 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.069 -8.290 16.571 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.974 -10.861 15.411 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.176 -10.380 16.613 1.00 0.00 H new ATOM 1047 N TRP A 64 -0.858 -2.788 11.058 1.00 0.00 N ATOM 1048 CA TRP A 64 -0.583 -1.513 10.386 1.00 0.00 C ATOM 1049 C TRP A 64 0.264 -0.604 11.267 1.00 0.00 C ATOM 1050 O TRP A 64 1.052 0.197 10.766 1.00 0.00 O ATOM 1051 CB TRP A 64 -1.880 -0.785 10.016 1.00 0.00 C ATOM 1052 CG TRP A 64 -2.721 -1.510 9.012 1.00 0.00 C ATOM 1053 CD1 TRP A 64 -4.006 -1.934 9.180 1.00 0.00 C ATOM 1054 CD2 TRP A 64 -2.338 -1.900 7.687 1.00 0.00 C ATOM 1055 NE1 TRP A 64 -4.450 -2.551 8.040 1.00 0.00 N ATOM 1056 CE2 TRP A 64 -3.443 -2.548 7.113 1.00 0.00 C ATOM 1057 CE3 TRP A 64 -1.168 -1.766 6.929 1.00 0.00 C ATOM 1058 CZ2 TRP A 64 -3.418 -3.055 5.822 1.00 0.00 C ATOM 1059 CZ3 TRP A 64 -1.145 -2.274 5.645 1.00 0.00 C ATOM 1060 CH2 TRP A 64 -2.264 -2.912 5.102 1.00 0.00 C ATOM 0 H TRP A 64 -1.850 -3.004 11.160 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.035 -1.746 9.473 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -2.467 -0.628 10.921 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.632 0.201 9.622 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -4.589 -1.803 10.080 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -5.380 -2.948 7.904 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -0.299 -1.274 7.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -4.282 -3.547 5.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.248 -2.177 5.051 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.216 -3.299 4.095 1.00 0.00 H new ATOM 1071 N ALA A 65 0.091 -0.732 12.578 1.00 0.00 N ATOM 1072 CA ALA A 65 0.846 0.069 13.531 1.00 0.00 C ATOM 1073 C ALA A 65 2.344 -0.159 13.350 1.00 0.00 C ATOM 1074 O ALA A 65 3.112 0.793 13.214 1.00 0.00 O ATOM 1075 CB ALA A 65 0.418 -0.251 14.957 1.00 0.00 C ATOM 0 H ALA A 65 -0.567 -1.384 13.004 1.00 0.00 H new ATOM 0 HA ALA A 65 0.635 1.122 13.342 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.993 0.357 15.655 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.643 -0.034 15.076 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.597 -1.306 15.163 1.00 0.00 H new ATOM 1081 N ARG A 66 2.752 -1.428 13.316 1.00 0.00 N ATOM 1082 CA ARG A 66 4.163 -1.775 13.161 1.00 0.00 C ATOM 1083 C ARG A 66 4.663 -1.307 11.792 1.00 0.00 C ATOM 1084 O ARG A 66 5.824 -0.920 11.640 1.00 0.00 O ATOM 1085 CB ARG A 66 4.376 -3.296 13.357 1.00 0.00 C ATOM 1086 CG ARG A 66 4.257 -4.162 12.092 1.00 0.00 C ATOM 1087 CD ARG A 66 5.587 -4.267 11.344 1.00 0.00 C ATOM 1088 NE ARG A 66 5.517 -5.145 10.172 1.00 0.00 N ATOM 1089 CZ ARG A 66 6.494 -5.248 9.265 1.00 0.00 C ATOM 1090 NH1 ARG A 66 7.583 -4.496 9.371 1.00 0.00 N ATOM 1091 NH2 ARG A 66 6.388 -6.103 8.259 1.00 0.00 N ATOM 0 H ARG A 66 2.126 -2.230 13.394 1.00 0.00 H new ATOM 0 HA ARG A 66 4.745 -1.265 13.929 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.365 -3.452 13.788 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.650 -3.653 14.087 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.915 -5.160 12.366 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.502 -3.737 11.431 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.899 -3.272 11.027 1.00 0.00 H new ATOM 0 HD3 ARG A 66 6.352 -4.639 12.025 1.00 0.00 H new ATOM 0 HE ARG A 66 4.677 -5.708 10.041 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.675 -3.838 10.145 1.00 0.00 H new ATOM 0 HH12 ARG A 66 8.327 -4.576 8.678 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.557 -6.688 8.172 1.00 0.00 H new ATOM 0 HH22 ARG A 66 7.137 -6.176 7.571 1.00 0.00 H new ATOM 1105 N VAL A 67 3.774 -1.349 10.799 1.00 0.00 N ATOM 1106 CA VAL A 67 4.092 -0.878 9.455 1.00 0.00 C ATOM 1107 C VAL A 67 4.396 0.618 9.486 1.00 0.00 C ATOM 1108 O VAL A 67 5.419 1.069 8.967 1.00 0.00 O ATOM 1109 CB VAL A 67 2.927 -1.152 8.466 1.00 0.00 C ATOM 1110 CG1 VAL A 67 3.275 -0.662 7.059 1.00 0.00 C ATOM 1111 CG2 VAL A 67 2.566 -2.638 8.451 1.00 0.00 C ATOM 0 H VAL A 67 2.824 -1.706 10.903 1.00 0.00 H new ATOM 0 HA VAL A 67 4.968 -1.425 9.108 1.00 0.00 H new ATOM 0 HB VAL A 67 2.056 -0.594 8.809 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.442 -0.866 6.386 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.466 0.411 7.084 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.165 -1.181 6.703 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.747 -2.807 7.751 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.434 -3.220 8.141 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.259 -2.948 9.450 1.00 0.00 H new ATOM 1121 N ALA A 68 3.511 1.373 10.130 1.00 0.00 N ATOM 1122 CA ALA A 68 3.676 2.816 10.267 1.00 0.00 C ATOM 1123 C ALA A 68 4.990 3.137 10.971 1.00 0.00 C ATOM 1124 O ALA A 68 5.736 4.028 10.551 1.00 0.00 O ATOM 1125 CB ALA A 68 2.496 3.418 11.028 1.00 0.00 C ATOM 0 H ALA A 68 2.666 1.006 10.568 1.00 0.00 H new ATOM 0 HA ALA A 68 3.703 3.258 9.271 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.635 4.495 11.122 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.572 3.217 10.485 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.438 2.972 12.021 1.00 0.00 H new ATOM 1131 N GLN A 69 5.276 2.388 12.033 1.00 0.00 N ATOM 1132 CA GLN A 69 6.516 2.558 12.784 1.00 0.00 C ATOM 1133 C GLN A 69 7.723 2.248 11.901 1.00 0.00 C ATOM 1134 O GLN A 69 8.760 2.910 11.994 1.00 0.00 O ATOM 1135 CB GLN A 69 6.523 1.661 14.032 1.00 0.00 C ATOM 1136 CG GLN A 69 5.375 1.941 15.000 1.00 0.00 C ATOM 1137 CD GLN A 69 5.256 3.413 15.366 1.00 0.00 C ATOM 1138 OE1 GLN A 69 4.543 4.171 14.712 1.00 0.00 O ATOM 1139 NE2 GLN A 69 5.950 3.825 16.413 1.00 0.00 N ATOM 0 H GLN A 69 4.664 1.656 12.393 1.00 0.00 H new ATOM 0 HA GLN A 69 6.579 3.597 13.107 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.475 0.618 13.718 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.469 1.793 14.557 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.439 1.606 14.553 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.521 1.356 15.908 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.531 3.166 16.931 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.904 4.802 16.703 1.00 0.00 H new ATOM 1148 N ARG A 70 7.576 1.252 11.028 1.00 0.00 N ATOM 1149 CA ARG A 70 8.644 0.875 10.102 1.00 0.00 C ATOM 1150 C ARG A 70 8.880 2.005 9.095 1.00 0.00 C ATOM 1151 O ARG A 70 10.011 2.253 8.675 1.00 0.00 O ATOM 1152 CB ARG A 70 8.296 -0.452 9.394 1.00 0.00 C ATOM 1153 CG ARG A 70 9.473 -1.120 8.674 1.00 0.00 C ATOM 1154 CD ARG A 70 9.749 -0.515 7.299 1.00 0.00 C ATOM 1155 NE ARG A 70 11.001 -1.010 6.728 1.00 0.00 N ATOM 1156 CZ ARG A 70 11.084 -1.883 5.724 1.00 0.00 C ATOM 1157 NH1 ARG A 70 9.984 -2.407 5.197 1.00 0.00 N ATOM 1158 NH2 ARG A 70 12.272 -2.242 5.259 1.00 0.00 N ATOM 0 H ARG A 70 6.728 0.692 10.942 1.00 0.00 H new ATOM 0 HA ARG A 70 9.568 0.718 10.659 1.00 0.00 H new ATOM 0 HB2 ARG A 70 7.896 -1.148 10.132 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.503 -0.265 8.670 1.00 0.00 H new ATOM 0 HG2 ARG A 70 10.367 -1.031 9.291 1.00 0.00 H new ATOM 0 HG3 ARG A 70 9.267 -2.185 8.562 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.925 -0.751 6.626 1.00 0.00 H new ATOM 0 HD3 ARG A 70 9.792 0.571 7.382 1.00 0.00 H new ATOM 0 HE ARG A 70 11.873 -0.662 7.126 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.068 -2.142 5.560 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.054 -3.074 4.429 1.00 0.00 H new ATOM 0 HH21 ARG A 70 13.120 -1.851 5.669 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.338 -2.910 4.491 1.00 0.00 H new ATOM 1172 N LEU A 71 7.804 2.698 8.723 1.00 0.00 N ATOM 1173 CA LEU A 71 7.897 3.866 7.841 1.00 0.00 C ATOM 1174 C LEU A 71 8.278 5.117 8.634 1.00 0.00 C ATOM 1175 O LEU A 71 8.252 6.232 8.110 1.00 0.00 O ATOM 1176 CB LEU A 71 6.578 4.099 7.091 1.00 0.00 C ATOM 1177 CG LEU A 71 6.366 3.247 5.822 1.00 0.00 C ATOM 1178 CD1 LEU A 71 6.365 1.758 6.147 1.00 0.00 C ATOM 1179 CD2 LEU A 71 5.070 3.643 5.115 1.00 0.00 C ATOM 0 H LEU A 71 6.854 2.472 9.019 1.00 0.00 H new ATOM 0 HA LEU A 71 8.679 3.665 7.108 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.753 3.906 7.777 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.522 5.151 6.813 1.00 0.00 H new ATOM 0 HG LEU A 71 7.201 3.442 5.149 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.213 1.186 5.232 1.00 0.00 H new ATOM 0 HD12 LEU A 71 7.321 1.482 6.593 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.560 1.539 6.849 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.940 3.030 4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.227 3.488 5.788 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.118 4.694 4.829 1.00 0.00 H new ATOM 1191 N ASN A 72 8.612 4.916 9.907 1.00 0.00 N ATOM 1192 CA ASN A 72 9.167 5.967 10.762 1.00 0.00 C ATOM 1193 C ASN A 72 8.131 7.042 11.077 1.00 0.00 C ATOM 1194 O ASN A 72 8.483 8.193 11.347 1.00 0.00 O ATOM 1195 CB ASN A 72 10.415 6.604 10.116 1.00 0.00 C ATOM 1196 CG ASN A 72 11.414 5.584 9.581 1.00 0.00 C ATOM 1197 OD1 ASN A 72 12.204 5.888 8.689 1.00 0.00 O ATOM 1198 ND2 ASN A 72 11.367 4.360 10.089 1.00 0.00 N ATOM 0 H ASN A 72 8.506 4.017 10.378 1.00 0.00 H new ATOM 0 HA ASN A 72 9.461 5.496 11.700 1.00 0.00 H new ATOM 0 HB2 ASN A 72 10.100 7.254 9.300 1.00 0.00 H new ATOM 0 HB3 ASN A 72 10.912 7.236 10.852 1.00 0.00 H new ATOM 0 HD21 ASN A 72 11.998 3.639 9.740 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.700 4.140 10.829 1.00 0.00 H new ATOM 1205 N TYR A 73 6.857 6.673 11.050 1.00 0.00 N ATOM 1206 CA TYR A 73 5.793 7.595 11.440 1.00 0.00 C ATOM 1207 C TYR A 73 5.770 7.741 12.964 1.00 0.00 C ATOM 1208 O TYR A 73 6.138 6.808 13.681 1.00 0.00 O ATOM 1209 CB TYR A 73 4.430 7.115 10.917 1.00 0.00 C ATOM 1210 CG TYR A 73 4.299 7.175 9.402 1.00 0.00 C ATOM 1211 CD1 TYR A 73 4.670 8.318 8.699 1.00 0.00 C ATOM 1212 CD2 TYR A 73 3.797 6.099 8.679 1.00 0.00 C ATOM 1213 CE1 TYR A 73 4.545 8.383 7.323 1.00 0.00 C ATOM 1214 CE2 TYR A 73 3.670 6.157 7.304 1.00 0.00 C ATOM 1215 CZ TYR A 73 4.045 7.300 6.631 1.00 0.00 C ATOM 1216 OH TYR A 73 3.917 7.359 5.261 1.00 0.00 O ATOM 0 H TYR A 73 6.534 5.748 10.764 1.00 0.00 H new ATOM 0 HA TYR A 73 5.992 8.569 10.994 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.265 6.089 11.246 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.644 7.724 11.365 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.062 9.168 9.237 1.00 0.00 H new ATOM 0 HD2 TYR A 73 3.501 5.201 9.201 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.838 9.277 6.793 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.279 5.311 6.759 1.00 0.00 H new ATOM 0 HH TYR A 73 4.606 7.951 4.893 1.00 0.00 H new ATOM 1226 N PRO A 74 5.360 8.919 13.478 1.00 0.00 N ATOM 1227 CA PRO A 74 5.363 9.199 14.924 1.00 0.00 C ATOM 1228 C PRO A 74 4.417 8.274 15.700 1.00 0.00 C ATOM 1229 O PRO A 74 3.425 7.789 15.149 1.00 0.00 O ATOM 1230 CB PRO A 74 4.893 10.662 15.009 1.00 0.00 C ATOM 1231 CG PRO A 74 4.151 10.898 13.738 1.00 0.00 C ATOM 1232 CD PRO A 74 4.853 10.067 12.700 1.00 0.00 C ATOM 0 HA PRO A 74 6.343 9.032 15.370 1.00 0.00 H new ATOM 0 HB2 PRO A 74 4.253 10.822 15.876 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.738 11.344 15.106 1.00 0.00 H new ATOM 0 HG2 PRO A 74 3.106 10.604 13.834 1.00 0.00 H new ATOM 0 HG3 PRO A 74 4.162 11.954 13.468 1.00 0.00 H new ATOM 0 HD2 PRO A 74 4.173 9.750 11.910 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.662 10.619 12.221 1.00 0.00 H new ATOM 1240 N PRO A 75 4.719 8.021 16.993 1.00 0.00 N ATOM 1241 CA PRO A 75 3.894 7.161 17.854 1.00 0.00 C ATOM 1242 C PRO A 75 2.437 7.621 17.913 1.00 0.00 C ATOM 1243 O PRO A 75 2.126 8.779 17.618 1.00 0.00 O ATOM 1244 CB PRO A 75 4.555 7.286 19.236 1.00 0.00 C ATOM 1245 CG PRO A 75 5.961 7.690 18.947 1.00 0.00 C ATOM 1246 CD PRO A 75 5.896 8.550 17.714 1.00 0.00 C ATOM 0 HA PRO A 75 3.853 6.137 17.481 1.00 0.00 H new ATOM 0 HB2 PRO A 75 4.048 8.029 19.852 1.00 0.00 H new ATOM 0 HB3 PRO A 75 4.518 6.342 19.780 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.390 8.240 19.785 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.592 6.817 18.782 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.774 9.604 17.964 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.804 8.467 17.117 1.00 0.00 H new ATOM 1254 N GLY A 76 1.554 6.713 18.309 1.00 0.00 N ATOM 1255 CA GLY A 76 0.134 7.014 18.369 1.00 0.00 C ATOM 1256 C GLY A 76 -0.671 6.091 17.480 1.00 0.00 C ATOM 1257 O GLY A 76 -1.870 5.901 17.694 1.00 0.00 O ATOM 0 H GLY A 76 1.798 5.764 18.593 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.214 6.924 19.398 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -0.032 8.048 18.066 1.00 0.00 H new ATOM 1261 N LYS A 77 -0.006 5.539 16.459 1.00 0.00 N ATOM 1262 CA LYS A 77 -0.604 4.545 15.557 1.00 0.00 C ATOM 1263 C LYS A 77 -1.749 5.136 14.724 1.00 0.00 C ATOM 1264 O LYS A 77 -2.376 4.432 13.930 1.00 0.00 O ATOM 1265 CB LYS A 77 -1.104 3.332 16.361 1.00 0.00 C ATOM 1266 CG LYS A 77 -0.007 2.637 17.166 1.00 0.00 C ATOM 1267 CD LYS A 77 -0.569 1.540 18.068 1.00 0.00 C ATOM 1268 CE LYS A 77 0.535 0.806 18.821 1.00 0.00 C ATOM 1269 NZ LYS A 77 1.367 1.733 19.637 1.00 0.00 N ATOM 0 H LYS A 77 0.962 5.768 16.234 1.00 0.00 H new ATOM 0 HA LYS A 77 0.173 4.225 14.863 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.891 3.657 17.041 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.552 2.612 15.676 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.726 2.206 16.484 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.518 3.373 17.774 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.267 1.978 18.782 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -1.134 0.828 17.466 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.091 0.051 19.470 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.171 0.280 18.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.992 1.182 20.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.943 2.328 19.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 0.748 2.337 20.215 1.00 0.00 H new ATOM 1283 N ASN A 78 -1.992 6.434 14.887 1.00 0.00 N ATOM 1284 CA ASN A 78 -3.090 7.115 14.198 1.00 0.00 C ATOM 1285 C ASN A 78 -2.905 7.028 12.684 1.00 0.00 C ATOM 1286 O ASN A 78 -3.857 6.788 11.937 1.00 0.00 O ATOM 1287 CB ASN A 78 -3.156 8.584 14.652 1.00 0.00 C ATOM 1288 CG ASN A 78 -4.399 9.325 14.171 1.00 0.00 C ATOM 1289 OD1 ASN A 78 -4.947 9.044 13.105 1.00 0.00 O ATOM 1290 ND2 ASN A 78 -4.850 10.288 14.960 1.00 0.00 N ATOM 0 H ASN A 78 -1.440 7.040 15.494 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.029 6.624 14.454 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -3.123 8.619 15.741 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.271 9.106 14.289 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.676 10.823 14.691 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.372 10.495 15.837 1.00 0.00 H new ATOM 1297 N ILE A 79 -1.658 7.186 12.242 1.00 0.00 N ATOM 1298 CA ILE A 79 -1.333 7.146 10.816 1.00 0.00 C ATOM 1299 C ILE A 79 -1.661 5.765 10.237 1.00 0.00 C ATOM 1300 O ILE A 79 -1.921 5.625 9.042 1.00 0.00 O ATOM 1301 CB ILE A 79 0.165 7.483 10.537 1.00 0.00 C ATOM 1302 CG1 ILE A 79 0.561 8.860 11.121 1.00 0.00 C ATOM 1303 CG2 ILE A 79 0.451 7.456 9.033 1.00 0.00 C ATOM 1304 CD1 ILE A 79 0.759 8.879 12.625 1.00 0.00 C ATOM 0 H ILE A 79 -0.855 7.343 12.851 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.941 7.909 10.331 1.00 0.00 H new ATOM 0 HB ILE A 79 0.766 6.720 11.032 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.483 9.190 10.643 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.210 9.585 10.861 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.500 7.693 8.858 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.233 6.463 8.639 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.176 8.192 8.530 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.034 9.885 12.943 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.167 8.583 13.118 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.553 8.183 12.896 1.00 0.00 H new ATOM 1316 N GLY A 80 -1.670 4.753 11.106 1.00 0.00 N ATOM 1317 CA GLY A 80 -2.005 3.402 10.688 1.00 0.00 C ATOM 1318 C GLY A 80 -3.423 3.312 10.160 1.00 0.00 C ATOM 1319 O GLY A 80 -3.690 2.612 9.179 1.00 0.00 O ATOM 0 H GLY A 80 -1.450 4.848 12.097 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -1.308 3.077 9.915 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.887 2.721 11.531 1.00 0.00 H new ATOM 1323 N SER A 81 -4.335 4.038 10.806 1.00 0.00 N ATOM 1324 CA SER A 81 -5.724 4.097 10.363 1.00 0.00 C ATOM 1325 C SER A 81 -5.791 4.767 8.992 1.00 0.00 C ATOM 1326 O SER A 81 -6.485 4.294 8.089 1.00 0.00 O ATOM 1327 CB SER A 81 -6.581 4.865 11.381 1.00 0.00 C ATOM 1328 OG SER A 81 -7.948 4.884 10.997 1.00 0.00 O ATOM 0 H SER A 81 -4.135 4.593 11.638 1.00 0.00 H new ATOM 0 HA SER A 81 -6.119 3.084 10.286 1.00 0.00 H new ATOM 0 HB2 SER A 81 -6.484 4.403 12.363 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.213 5.887 11.472 1.00 0.00 H new ATOM 0 HG SER A 81 -8.468 5.378 11.664 1.00 0.00 H new ATOM 1334 N LEU A 82 -5.040 5.863 8.846 1.00 0.00 N ATOM 1335 CA LEU A 82 -4.930 6.570 7.572 1.00 0.00 C ATOM 1336 C LEU A 82 -4.472 5.595 6.488 1.00 0.00 C ATOM 1337 O LEU A 82 -5.068 5.514 5.411 1.00 0.00 O ATOM 1338 CB LEU A 82 -3.944 7.759 7.712 1.00 0.00 C ATOM 1339 CG LEU A 82 -3.739 8.641 6.455 1.00 0.00 C ATOM 1340 CD1 LEU A 82 -3.347 10.065 6.844 1.00 0.00 C ATOM 1341 CD2 LEU A 82 -2.672 8.054 5.528 1.00 0.00 C ATOM 0 H LEU A 82 -4.497 6.280 9.602 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.902 6.972 7.286 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.293 8.398 8.523 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.974 7.364 8.013 1.00 0.00 H new ATOM 0 HG LEU A 82 -4.690 8.665 5.922 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.209 10.663 5.943 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.135 10.505 7.455 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.417 10.044 7.412 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.553 8.698 4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -1.724 7.987 6.061 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -2.978 7.059 5.205 1.00 0.00 H new ATOM 1353 N LEU A 83 -3.430 4.838 6.808 1.00 0.00 N ATOM 1354 CA LEU A 83 -2.846 3.870 5.887 1.00 0.00 C ATOM 1355 C LEU A 83 -3.899 2.870 5.400 1.00 0.00 C ATOM 1356 O LEU A 83 -4.109 2.711 4.192 1.00 0.00 O ATOM 1357 CB LEU A 83 -1.690 3.135 6.583 1.00 0.00 C ATOM 1358 CG LEU A 83 -0.939 2.106 5.724 1.00 0.00 C ATOM 1359 CD1 LEU A 83 -0.379 2.759 4.465 1.00 0.00 C ATOM 1360 CD2 LEU A 83 0.179 1.448 6.533 1.00 0.00 C ATOM 0 H LEU A 83 -2.965 4.878 7.715 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.464 4.401 5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.974 3.876 6.937 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.085 2.627 7.463 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.645 1.333 5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.149 2.012 3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.196 3.177 3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.312 3.555 4.744 1.00 0.00 H new ATOM 0 HD21 LEU A 83 0.701 0.722 5.909 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.882 2.210 6.868 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.248 0.942 7.399 1.00 0.00 H new ATOM 1372 N ARG A 84 -4.567 2.218 6.348 1.00 0.00 N ATOM 1373 CA ARG A 84 -5.580 1.211 6.032 1.00 0.00 C ATOM 1374 C ARG A 84 -6.713 1.834 5.211 1.00 0.00 C ATOM 1375 O ARG A 84 -7.154 1.263 4.213 1.00 0.00 O ATOM 1376 CB ARG A 84 -6.114 0.585 7.338 1.00 0.00 C ATOM 1377 CG ARG A 84 -7.038 -0.632 7.162 1.00 0.00 C ATOM 1378 CD ARG A 84 -8.458 -0.243 6.764 1.00 0.00 C ATOM 1379 NE ARG A 84 -9.386 -1.373 6.837 1.00 0.00 N ATOM 1380 CZ ARG A 84 -10.658 -1.263 7.227 1.00 0.00 C ATOM 1381 NH1 ARG A 84 -11.145 -0.079 7.581 1.00 0.00 N ATOM 1382 NH2 ARG A 84 -11.442 -2.332 7.258 1.00 0.00 N ATOM 0 H ARG A 84 -4.425 2.369 7.347 1.00 0.00 H new ATOM 0 HA ARG A 84 -5.130 0.422 5.430 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.264 0.287 7.951 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.654 1.352 7.893 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.621 -1.293 6.402 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.068 -1.197 8.094 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.810 0.556 7.417 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.452 0.154 5.749 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.041 -2.297 6.575 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.547 0.747 7.555 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -12.117 0.004 7.879 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -11.074 -3.243 6.983 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -12.413 -2.244 7.557 1.00 0.00 H new ATOM 1396 N SER A 85 -7.157 3.018 5.624 1.00 0.00 N ATOM 1397 CA SER A 85 -8.270 3.700 4.966 1.00 0.00 C ATOM 1398 C SER A 85 -7.957 3.980 3.492 1.00 0.00 C ATOM 1399 O SER A 85 -8.789 3.731 2.614 1.00 0.00 O ATOM 1400 CB SER A 85 -8.595 5.004 5.701 1.00 0.00 C ATOM 1401 OG SER A 85 -8.988 4.748 7.044 1.00 0.00 O ATOM 0 H SER A 85 -6.762 3.528 6.414 1.00 0.00 H new ATOM 0 HA SER A 85 -9.140 3.045 5.003 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.723 5.658 5.692 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.394 5.531 5.179 1.00 0.00 H new ATOM 0 HG SER A 85 -8.193 4.572 7.590 1.00 0.00 H new ATOM 1407 N HIS A 86 -6.751 4.483 3.222 1.00 0.00 N ATOM 1408 CA HIS A 86 -6.339 4.772 1.846 1.00 0.00 C ATOM 1409 C HIS A 86 -6.081 3.478 1.084 1.00 0.00 C ATOM 1410 O HIS A 86 -6.225 3.429 -0.140 1.00 0.00 O ATOM 1411 CB HIS A 86 -5.089 5.662 1.806 1.00 0.00 C ATOM 1412 CG HIS A 86 -5.331 7.071 2.262 1.00 0.00 C ATOM 1413 ND1 HIS A 86 -5.784 8.072 1.431 1.00 0.00 N ATOM 1414 CD2 HIS A 86 -5.164 7.646 3.470 1.00 0.00 C ATOM 1415 CE1 HIS A 86 -5.878 9.198 2.114 1.00 0.00 C ATOM 1416 NE2 HIS A 86 -5.511 8.965 3.353 1.00 0.00 N ATOM 0 H HIS A 86 -6.048 4.697 3.930 1.00 0.00 H new ATOM 0 HA HIS A 86 -7.154 5.314 1.367 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -4.317 5.215 2.432 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -4.701 5.682 0.787 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -4.819 7.155 4.368 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -6.202 10.150 1.720 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -5.488 9.654 4.105 1.00 0.00 H new ATOM 1425 N TYR A 87 -5.700 2.432 1.814 1.00 0.00 N ATOM 1426 CA TYR A 87 -5.475 1.123 1.211 1.00 0.00 C ATOM 1427 C TYR A 87 -6.757 0.642 0.534 1.00 0.00 C ATOM 1428 O TYR A 87 -6.746 0.284 -0.641 1.00 0.00 O ATOM 1429 CB TYR A 87 -5.013 0.101 2.267 1.00 0.00 C ATOM 1430 CG TYR A 87 -4.516 -1.214 1.681 1.00 0.00 C ATOM 1431 CD1 TYR A 87 -5.395 -2.115 1.081 1.00 0.00 C ATOM 1432 CD2 TYR A 87 -3.165 -1.551 1.718 1.00 0.00 C ATOM 1433 CE1 TYR A 87 -4.945 -3.304 0.544 1.00 0.00 C ATOM 1434 CE2 TYR A 87 -2.710 -2.741 1.179 1.00 0.00 C ATOM 1435 CZ TYR A 87 -3.603 -3.612 0.592 1.00 0.00 C ATOM 1436 OH TYR A 87 -3.154 -4.794 0.049 1.00 0.00 O ATOM 0 H TYR A 87 -5.541 2.466 2.821 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.686 1.215 0.465 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.216 0.545 2.863 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.841 -0.105 2.945 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -6.448 -1.878 1.036 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.461 -0.872 2.175 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -5.643 -3.991 0.088 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.659 -2.987 1.218 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.236 -4.678 -0.275 1.00 0.00 H new ATOM 1446 N GLU A 88 -7.859 0.671 1.285 1.00 0.00 N ATOM 1447 CA GLU A 88 -9.162 0.198 0.802 1.00 0.00 C ATOM 1448 C GLU A 88 -9.524 0.820 -0.547 1.00 0.00 C ATOM 1449 O GLU A 88 -10.102 0.163 -1.416 1.00 0.00 O ATOM 1450 CB GLU A 88 -10.257 0.534 1.821 1.00 0.00 C ATOM 1451 CG GLU A 88 -10.056 -0.114 3.183 1.00 0.00 C ATOM 1452 CD GLU A 88 -11.112 0.313 4.193 1.00 0.00 C ATOM 1453 OE1 GLU A 88 -10.956 1.389 4.808 1.00 0.00 O ATOM 1454 OE2 GLU A 88 -12.110 -0.421 4.370 1.00 0.00 O ATOM 0 H GLU A 88 -7.876 1.022 2.243 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.090 -0.882 0.675 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.301 1.616 1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.221 0.221 1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.080 -1.198 3.073 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.068 0.146 3.563 1.00 0.00 H new ATOM 1461 N ARG A 89 -9.177 2.089 -0.717 1.00 0.00 N ATOM 1462 CA ARG A 89 -9.562 2.839 -1.906 1.00 0.00 C ATOM 1463 C ARG A 89 -8.566 2.631 -3.046 1.00 0.00 C ATOM 1464 O ARG A 89 -8.954 2.326 -4.176 1.00 0.00 O ATOM 1465 CB ARG A 89 -9.664 4.334 -1.570 1.00 0.00 C ATOM 1466 CG ARG A 89 -10.216 5.183 -2.711 1.00 0.00 C ATOM 1467 CD ARG A 89 -11.633 4.760 -3.079 1.00 0.00 C ATOM 1468 NE ARG A 89 -12.172 5.544 -4.190 1.00 0.00 N ATOM 1469 CZ ARG A 89 -13.411 6.032 -4.223 1.00 0.00 C ATOM 1470 NH1 ARG A 89 -14.240 5.837 -3.204 1.00 0.00 N ATOM 1471 NH2 ARG A 89 -13.824 6.717 -5.279 1.00 0.00 N ATOM 0 H ARG A 89 -8.627 2.623 -0.044 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.533 2.470 -2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -10.302 4.458 -0.695 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -8.676 4.705 -1.299 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -10.211 6.234 -2.421 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -9.568 5.090 -3.583 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -11.637 3.703 -3.346 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -12.281 4.871 -2.210 1.00 0.00 H new ATOM 0 HE ARG A 89 -11.563 5.728 -4.987 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -13.930 5.310 -2.388 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -15.187 6.214 -3.238 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -13.193 6.870 -6.066 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -14.773 7.091 -5.305 1.00 0.00 H new ATOM 1485 N ILE A 90 -7.284 2.795 -2.740 1.00 0.00 N ATOM 1486 CA ILE A 90 -6.239 2.819 -3.761 1.00 0.00 C ATOM 1487 C ILE A 90 -5.560 1.457 -3.923 1.00 0.00 C ATOM 1488 O ILE A 90 -5.434 0.943 -5.035 1.00 0.00 O ATOM 1489 CB ILE A 90 -5.156 3.878 -3.417 1.00 0.00 C ATOM 1490 CG1 ILE A 90 -5.797 5.260 -3.183 1.00 0.00 C ATOM 1491 CG2 ILE A 90 -4.095 3.953 -4.517 1.00 0.00 C ATOM 1492 CD1 ILE A 90 -6.528 5.820 -4.388 1.00 0.00 C ATOM 0 H ILE A 90 -6.940 2.914 -1.787 1.00 0.00 H new ATOM 0 HA ILE A 90 -6.730 3.078 -4.699 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.665 3.569 -2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.496 5.187 -2.350 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.019 5.963 -2.886 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.348 4.702 -4.252 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -3.613 2.981 -4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.567 4.229 -5.460 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.949 6.794 -4.138 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.831 5.928 -5.219 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -7.331 5.141 -4.675 1.00 0.00 H new ATOM 1504 N VAL A 91 -5.139 0.870 -2.807 1.00 0.00 N ATOM 1505 CA VAL A 91 -4.237 -0.283 -2.838 1.00 0.00 C ATOM 1506 C VAL A 91 -4.988 -1.616 -2.770 1.00 0.00 C ATOM 1507 O VAL A 91 -4.414 -2.667 -3.052 1.00 0.00 O ATOM 1508 CB VAL A 91 -3.207 -0.209 -1.681 1.00 0.00 C ATOM 1509 CG1 VAL A 91 -2.067 -1.208 -1.888 1.00 0.00 C ATOM 1510 CG2 VAL A 91 -2.667 1.211 -1.532 1.00 0.00 C ATOM 0 H VAL A 91 -5.406 1.171 -1.870 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.716 -0.241 -3.794 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.719 -0.479 -0.758 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.362 -1.132 -1.061 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.472 -2.219 -1.928 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.554 -0.986 -2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.946 1.242 -0.715 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.179 1.514 -2.458 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.490 1.892 -1.316 1.00 0.00 H new ATOM 1520 N TYR A 92 -6.269 -1.583 -2.413 1.00 0.00 N ATOM 1521 CA TYR A 92 -7.051 -2.818 -2.303 1.00 0.00 C ATOM 1522 C TYR A 92 -7.156 -3.510 -3.673 1.00 0.00 C ATOM 1523 O TYR A 92 -7.019 -4.730 -3.760 1.00 0.00 O ATOM 1524 CB TYR A 92 -8.445 -2.554 -1.699 1.00 0.00 C ATOM 1525 CG TYR A 92 -9.014 -3.719 -0.891 1.00 0.00 C ATOM 1526 CD1 TYR A 92 -8.350 -4.944 -0.815 1.00 0.00 C ATOM 1527 CD2 TYR A 92 -10.211 -3.587 -0.188 1.00 0.00 C ATOM 1528 CE1 TYR A 92 -8.863 -5.991 -0.072 1.00 0.00 C ATOM 1529 CE2 TYR A 92 -10.725 -4.629 0.558 1.00 0.00 C ATOM 1530 CZ TYR A 92 -10.049 -5.829 0.612 1.00 0.00 C ATOM 1531 OH TYR A 92 -10.559 -6.868 1.356 1.00 0.00 O ATOM 0 H TYR A 92 -6.785 -0.730 -2.197 1.00 0.00 H new ATOM 0 HA TYR A 92 -6.529 -3.489 -1.620 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.389 -1.675 -1.056 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -9.138 -2.315 -2.506 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.419 -5.077 -1.346 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -10.747 -2.650 -0.228 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -8.336 -6.933 -0.028 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -11.653 -4.504 1.097 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.128 -7.428 0.788 1.00 0.00 H new ATOM 1541 N PRO A 93 -7.405 -2.754 -4.772 1.00 0.00 N ATOM 1542 CA PRO A 93 -7.300 -3.307 -6.131 1.00 0.00 C ATOM 1543 C PRO A 93 -5.900 -3.870 -6.401 1.00 0.00 C ATOM 1544 O PRO A 93 -5.741 -4.835 -7.149 1.00 0.00 O ATOM 1545 CB PRO A 93 -7.591 -2.100 -7.040 1.00 0.00 C ATOM 1546 CG PRO A 93 -8.389 -1.174 -6.189 1.00 0.00 C ATOM 1547 CD PRO A 93 -7.854 -1.344 -4.793 1.00 0.00 C ATOM 0 HA PRO A 93 -7.985 -4.139 -6.296 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.669 -1.629 -7.382 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.146 -2.398 -7.930 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -8.283 -0.143 -6.526 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -9.451 -1.417 -6.234 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -7.033 -0.657 -4.590 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -8.621 -1.154 -4.042 1.00 0.00 H new ATOM 1555 N TYR A 94 -4.892 -3.266 -5.769 1.00 0.00 N ATOM 1556 CA TYR A 94 -3.506 -3.712 -5.913 1.00 0.00 C ATOM 1557 C TYR A 94 -3.269 -5.026 -5.169 1.00 0.00 C ATOM 1558 O TYR A 94 -2.371 -5.782 -5.530 1.00 0.00 O ATOM 1559 CB TYR A 94 -2.521 -2.636 -5.429 1.00 0.00 C ATOM 1560 CG TYR A 94 -2.114 -1.645 -6.506 1.00 0.00 C ATOM 1561 CD1 TYR A 94 -2.886 -0.522 -6.792 1.00 0.00 C ATOM 1562 CD2 TYR A 94 -0.947 -1.837 -7.237 1.00 0.00 C ATOM 1563 CE1 TYR A 94 -2.505 0.375 -7.772 1.00 0.00 C ATOM 1564 CE2 TYR A 94 -0.562 -0.947 -8.218 1.00 0.00 C ATOM 1565 CZ TYR A 94 -1.341 0.158 -8.481 1.00 0.00 C ATOM 1566 OH TYR A 94 -0.955 1.044 -9.463 1.00 0.00 O ATOM 0 H TYR A 94 -5.011 -2.464 -5.150 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.327 -3.883 -6.975 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.972 -2.091 -4.600 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.627 -3.124 -5.041 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.797 -0.349 -6.239 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.330 -2.700 -7.033 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.115 1.241 -7.982 1.00 0.00 H new ATOM 0 HE2 TYR A 94 0.346 -1.116 -8.777 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.707 1.899 -9.053 1.00 0.00 H new ATOM 1576 N GLU A 95 -4.062 -5.288 -4.128 1.00 0.00 N ATOM 1577 CA GLU A 95 -4.038 -6.592 -3.465 1.00 0.00 C ATOM 1578 C GLU A 95 -4.386 -7.672 -4.491 1.00 0.00 C ATOM 1579 O GLU A 95 -3.605 -8.590 -4.738 1.00 0.00 O ATOM 1580 CB GLU A 95 -5.028 -6.627 -2.280 1.00 0.00 C ATOM 1581 CG GLU A 95 -5.221 -8.014 -1.652 1.00 0.00 C ATOM 1582 CD GLU A 95 -3.979 -8.547 -0.937 1.00 0.00 C ATOM 1583 OE1 GLU A 95 -3.013 -8.936 -1.620 1.00 0.00 O ATOM 1584 OE2 GLU A 95 -3.985 -8.607 0.316 1.00 0.00 O ATOM 0 H GLU A 95 -4.723 -4.621 -3.729 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.041 -6.775 -3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.678 -5.939 -1.510 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.996 -6.259 -2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -6.046 -7.969 -0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -5.510 -8.718 -2.432 1.00 0.00 H new ATOM 1591 N MET A 96 -5.549 -7.515 -5.123 1.00 0.00 N ATOM 1592 CA MET A 96 -6.006 -8.444 -6.159 1.00 0.00 C ATOM 1593 C MET A 96 -5.002 -8.512 -7.309 1.00 0.00 C ATOM 1594 O MET A 96 -4.730 -9.587 -7.845 1.00 0.00 O ATOM 1595 CB MET A 96 -7.382 -8.020 -6.696 1.00 0.00 C ATOM 1596 CG MET A 96 -8.510 -8.145 -5.680 1.00 0.00 C ATOM 1597 SD MET A 96 -8.802 -9.853 -5.172 1.00 0.00 S ATOM 1598 CE MET A 96 -9.285 -10.603 -6.729 1.00 0.00 C ATOM 0 H MET A 96 -6.196 -6.749 -4.935 1.00 0.00 H new ATOM 0 HA MET A 96 -6.090 -9.433 -5.708 1.00 0.00 H new ATOM 0 HB2 MET A 96 -7.325 -6.986 -7.035 1.00 0.00 H new ATOM 0 HB3 MET A 96 -7.623 -8.628 -7.568 1.00 0.00 H new ATOM 0 HG2 MET A 96 -8.271 -7.545 -4.802 1.00 0.00 H new ATOM 0 HG3 MET A 96 -9.425 -7.735 -6.107 1.00 0.00 H new ATOM 0 HE1 MET A 96 -9.811 -11.538 -6.535 1.00 0.00 H new ATOM 0 HE2 MET A 96 -9.941 -9.923 -7.272 1.00 0.00 H new ATOM 0 HE3 MET A 96 -8.396 -10.805 -7.327 1.00 0.00 H new ATOM 1608 N TYR A 97 -4.451 -7.359 -7.673 1.00 0.00 N ATOM 1609 CA TYR A 97 -3.482 -7.273 -8.764 1.00 0.00 C ATOM 1610 C TYR A 97 -2.211 -8.060 -8.437 1.00 0.00 C ATOM 1611 O TYR A 97 -1.865 -9.017 -9.134 1.00 0.00 O ATOM 1612 CB TYR A 97 -3.141 -5.801 -9.058 1.00 0.00 C ATOM 1613 CG TYR A 97 -1.962 -5.605 -10.001 1.00 0.00 C ATOM 1614 CD1 TYR A 97 -1.936 -6.206 -11.255 1.00 0.00 C ATOM 1615 CD2 TYR A 97 -0.869 -4.826 -9.627 1.00 0.00 C ATOM 1616 CE1 TYR A 97 -0.863 -6.036 -12.107 1.00 0.00 C ATOM 1617 CE2 TYR A 97 0.209 -4.654 -10.475 1.00 0.00 C ATOM 1618 CZ TYR A 97 0.207 -5.260 -11.712 1.00 0.00 C ATOM 1619 OH TYR A 97 1.282 -5.094 -12.559 1.00 0.00 O ATOM 0 H TYR A 97 -4.659 -6.466 -7.227 1.00 0.00 H new ATOM 0 HA TYR A 97 -3.932 -7.716 -9.653 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -4.018 -5.316 -9.487 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.926 -5.296 -8.117 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -2.770 -6.817 -11.568 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.864 -4.349 -8.658 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.861 -6.508 -13.078 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.049 -4.047 -10.169 1.00 0.00 H new ATOM 0 HH TYR A 97 1.950 -4.519 -12.131 1.00 0.00 H new ATOM 1629 N GLN A 98 -1.537 -7.661 -7.366 1.00 0.00 N ATOM 1630 CA GLN A 98 -0.244 -8.232 -7.006 1.00 0.00 C ATOM 1631 C GLN A 98 -0.390 -9.694 -6.588 1.00 0.00 C ATOM 1632 O GLN A 98 0.369 -10.556 -7.042 1.00 0.00 O ATOM 1633 CB GLN A 98 0.403 -7.404 -5.888 1.00 0.00 C ATOM 1634 CG GLN A 98 1.834 -7.820 -5.558 1.00 0.00 C ATOM 1635 CD GLN A 98 2.535 -6.850 -4.620 1.00 0.00 C ATOM 1636 OE1 GLN A 98 3.752 -6.669 -4.698 1.00 0.00 O ATOM 1637 NE2 GLN A 98 1.782 -6.229 -3.723 1.00 0.00 N ATOM 0 H GLN A 98 -1.867 -6.938 -6.726 1.00 0.00 H new ATOM 0 HA GLN A 98 0.405 -8.202 -7.881 1.00 0.00 H new ATOM 0 HB2 GLN A 98 0.398 -6.353 -6.178 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.206 -7.488 -4.988 1.00 0.00 H new ATOM 0 HG2 GLN A 98 1.823 -8.811 -5.104 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.406 -7.899 -6.483 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.778 -6.405 -3.690 1.00 0.00 H new ATOM 0 HE22 GLN A 98 2.207 -5.575 -3.066 1.00 0.00 H new ATOM 1646 N SER A 99 -1.372 -9.976 -5.736 1.00 0.00 N ATOM 1647 CA SER A 99 -1.643 -11.347 -5.321 1.00 0.00 C ATOM 1648 C SER A 99 -2.035 -12.178 -6.543 1.00 0.00 C ATOM 1649 O SER A 99 -1.556 -13.295 -6.726 1.00 0.00 O ATOM 1650 CB SER A 99 -2.750 -11.384 -4.252 1.00 0.00 C ATOM 1651 OG SER A 99 -2.928 -12.693 -3.730 1.00 0.00 O ATOM 0 H SER A 99 -1.989 -9.277 -5.322 1.00 0.00 H new ATOM 0 HA SER A 99 -0.743 -11.772 -4.877 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.498 -10.700 -3.442 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.687 -11.034 -4.685 1.00 0.00 H new ATOM 0 HG SER A 99 -2.134 -13.234 -3.925 1.00 0.00 H new ATOM 1657 N GLY A 100 -2.866 -11.602 -7.407 1.00 0.00 N ATOM 1658 CA GLY A 100 -3.278 -12.285 -8.622 1.00 0.00 C ATOM 1659 C GLY A 100 -2.117 -12.509 -9.578 1.00 0.00 C ATOM 1660 O GLY A 100 -2.128 -13.450 -10.375 1.00 0.00 O ATOM 0 H GLY A 100 -3.263 -10.670 -7.287 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -3.724 -13.246 -8.363 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -4.050 -11.700 -9.122 1.00 0.00 H new ATOM 1664 N ALA A 101 -1.110 -11.643 -9.493 1.00 0.00 N ATOM 1665 CA ALA A 101 0.071 -11.738 -10.351 1.00 0.00 C ATOM 1666 C ALA A 101 1.072 -12.763 -9.813 1.00 0.00 C ATOM 1667 O ALA A 101 1.766 -13.428 -10.585 1.00 0.00 O ATOM 1668 CB ALA A 101 0.735 -10.371 -10.490 1.00 0.00 C ATOM 0 H ALA A 101 -1.088 -10.863 -8.836 1.00 0.00 H new ATOM 0 HA ALA A 101 -0.256 -12.076 -11.334 1.00 0.00 H new ATOM 0 HB1 ALA A 101 1.612 -10.456 -11.131 1.00 0.00 H new ATOM 0 HB2 ALA A 101 0.030 -9.667 -10.932 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.038 -10.012 -9.506 1.00 0.00 H new ATOM 1674 N ASN A 102 1.148 -12.884 -8.491 1.00 0.00 N ATOM 1675 CA ASN A 102 2.113 -13.790 -7.852 1.00 0.00 C ATOM 1676 C ASN A 102 1.443 -15.104 -7.441 1.00 0.00 C ATOM 1677 O ASN A 102 1.791 -16.174 -7.942 1.00 0.00 O ATOM 1678 CB ASN A 102 2.733 -13.108 -6.621 1.00 0.00 C ATOM 1679 CG ASN A 102 3.755 -13.981 -5.906 1.00 0.00 C ATOM 1680 OD1 ASN A 102 4.432 -14.803 -6.521 1.00 0.00 O ATOM 1681 ND2 ASN A 102 3.875 -13.806 -4.597 1.00 0.00 N ATOM 0 H ASN A 102 0.557 -12.370 -7.838 1.00 0.00 H new ATOM 0 HA ASN A 102 2.898 -14.019 -8.573 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.211 -12.178 -6.930 1.00 0.00 H new ATOM 0 HB3 ASN A 102 1.940 -12.841 -5.923 1.00 0.00 H new ATOM 0 HD21 ASN A 102 4.546 -14.363 -4.067 1.00 0.00 H new ATOM 0 HD22 ASN A 102 3.297 -13.115 -4.120 1.00 0.00 H new ATOM 1688 N LEU A 103 0.463 -14.999 -6.550 1.00 0.00 N ATOM 1689 CA LEU A 103 -0.283 -16.147 -6.029 1.00 0.00 C ATOM 1690 C LEU A 103 -1.374 -15.624 -5.102 1.00 0.00 C ATOM 1691 O LEU A 103 -1.119 -14.738 -4.281 1.00 0.00 O ATOM 1692 CB LEU A 103 0.654 -17.143 -5.305 1.00 0.00 C ATOM 1693 CG LEU A 103 1.491 -16.584 -4.130 1.00 0.00 C ATOM 1694 CD1 LEU A 103 0.717 -16.634 -2.811 1.00 0.00 C ATOM 1695 CD2 LEU A 103 2.814 -17.338 -4.004 1.00 0.00 C ATOM 0 H LEU A 103 0.158 -14.106 -6.163 1.00 0.00 H new ATOM 0 HA LEU A 103 -0.739 -16.699 -6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.048 -17.967 -4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.340 -17.562 -6.042 1.00 0.00 H new ATOM 0 HG LEU A 103 1.704 -15.538 -4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 103 1.338 -16.233 -2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.191 -16.038 -2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.453 -17.667 -2.583 1.00 0.00 H new ATOM 0 HD21 LEU A 103 3.388 -16.930 -3.172 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.615 -18.394 -3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 103 3.384 -17.229 -4.926 1.00 0.00 H new ATOM 1707 N VAL A 104 -2.595 -16.131 -5.247 1.00 0.00 N ATOM 1708 CA VAL A 104 -3.731 -15.554 -4.535 1.00 0.00 C ATOM 1709 C VAL A 104 -4.432 -16.566 -3.629 1.00 0.00 C ATOM 1710 O VAL A 104 -4.951 -17.593 -4.076 1.00 0.00 O ATOM 1711 CB VAL A 104 -4.753 -14.910 -5.512 1.00 0.00 C ATOM 1712 CG1 VAL A 104 -5.312 -15.934 -6.499 1.00 0.00 C ATOM 1713 CG2 VAL A 104 -5.877 -14.218 -4.737 1.00 0.00 C ATOM 0 H VAL A 104 -2.822 -16.928 -5.842 1.00 0.00 H new ATOM 0 HA VAL A 104 -3.319 -14.772 -3.897 1.00 0.00 H new ATOM 0 HB VAL A 104 -4.225 -14.156 -6.096 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -6.023 -15.446 -7.166 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -4.496 -16.357 -7.085 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -5.816 -16.730 -5.951 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -6.582 -13.773 -5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -6.395 -14.949 -4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -5.455 -13.438 -4.103 1.00 0.00 H new ATOM 1723 N CYS A 105 -4.406 -16.266 -2.338 1.00 0.00 N ATOM 1724 CA CYS A 105 -5.201 -16.972 -1.340 1.00 0.00 C ATOM 1725 C CYS A 105 -6.081 -15.955 -0.612 1.00 0.00 C ATOM 1726 O CYS A 105 -7.032 -16.306 0.088 1.00 0.00 O ATOM 1727 CB CYS A 105 -4.279 -17.699 -0.348 1.00 0.00 C ATOM 1728 SG CYS A 105 -5.145 -18.646 0.925 1.00 0.00 S ATOM 0 H CYS A 105 -3.829 -15.520 -1.950 1.00 0.00 H new ATOM 0 HA CYS A 105 -5.831 -17.719 -1.823 1.00 0.00 H new ATOM 0 HB2 CYS A 105 -3.628 -18.373 -0.904 1.00 0.00 H new ATOM 0 HB3 CYS A 105 -3.637 -16.964 0.138 1.00 0.00 H new ATOM 0 HG CYS A 105 -4.277 -19.219 1.705 1.00 0.00 H new ATOM 1734 N ASN A 106 -5.769 -14.682 -0.846 1.00 0.00 N ATOM 1735 CA ASN A 106 -6.384 -13.558 -0.143 1.00 0.00 C ATOM 1736 C ASN A 106 -7.806 -13.294 -0.642 1.00 0.00 C ATOM 1737 O ASN A 106 -8.554 -12.526 -0.036 1.00 0.00 O ATOM 1738 CB ASN A 106 -5.515 -12.303 -0.344 1.00 0.00 C ATOM 1739 CG ASN A 106 -4.063 -12.515 0.069 1.00 0.00 C ATOM 1740 OD1 ASN A 106 -3.565 -13.644 0.092 1.00 0.00 O ATOM 1741 ND2 ASN A 106 -3.361 -11.433 0.351 1.00 0.00 N ATOM 0 H ASN A 106 -5.074 -14.399 -1.537 1.00 0.00 H new ATOM 0 HA ASN A 106 -6.447 -13.805 0.917 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -5.550 -12.007 -1.393 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -5.935 -11.480 0.234 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -2.375 -11.515 0.598 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -3.805 -10.515 0.322 1.00 0.00 H new ATOM 1748 N THR A 107 -8.180 -13.954 -1.736 1.00 0.00 N ATOM 1749 CA THR A 107 -9.468 -13.716 -2.381 1.00 0.00 C ATOM 1750 C THR A 107 -10.650 -14.127 -1.488 1.00 0.00 C ATOM 1751 O THR A 107 -11.732 -13.543 -1.584 1.00 0.00 O ATOM 1752 CB THR A 107 -9.553 -14.435 -3.753 1.00 0.00 C ATOM 1753 OG1 THR A 107 -10.830 -14.208 -4.365 1.00 0.00 O ATOM 1754 CG2 THR A 107 -9.309 -15.934 -3.615 1.00 0.00 C ATOM 0 H THR A 107 -7.606 -14.661 -2.196 1.00 0.00 H new ATOM 0 HA THR A 107 -9.538 -12.641 -2.547 1.00 0.00 H new ATOM 0 HB THR A 107 -8.771 -14.017 -4.387 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.865 -14.668 -5.230 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.376 -16.405 -4.596 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.317 -16.104 -3.198 1.00 0.00 H new ATOM 0 HG23 THR A 107 -10.060 -16.365 -2.953 1.00 0.00 H new ATOM 1762 N ARG A 108 -10.453 -15.117 -0.609 1.00 0.00 N ATOM 1763 CA ARG A 108 -11.526 -15.538 0.302 1.00 0.00 C ATOM 1764 C ARG A 108 -11.637 -14.584 1.500 1.00 0.00 C ATOM 1765 O ARG A 108 -12.703 -14.001 1.723 1.00 0.00 O ATOM 1766 CB ARG A 108 -11.357 -16.994 0.792 1.00 0.00 C ATOM 1767 CG ARG A 108 -11.688 -18.068 -0.246 1.00 0.00 C ATOM 1768 CD ARG A 108 -10.599 -18.216 -1.298 1.00 0.00 C ATOM 1769 NE ARG A 108 -9.307 -18.559 -0.700 1.00 0.00 N ATOM 1770 CZ ARG A 108 -8.369 -19.298 -1.292 1.00 0.00 C ATOM 1771 NH1 ARG A 108 -8.558 -19.785 -2.512 1.00 0.00 N ATOM 1772 NH2 ARG A 108 -7.238 -19.550 -0.651 1.00 0.00 N ATOM 0 H ARG A 108 -9.579 -15.633 -0.509 1.00 0.00 H new ATOM 0 HA ARG A 108 -12.451 -15.497 -0.273 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -10.327 -17.133 1.121 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -11.994 -17.144 1.664 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -11.834 -19.023 0.258 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -12.630 -17.818 -0.735 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.886 -18.989 -2.011 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -10.505 -17.285 -1.857 1.00 0.00 H new ATOM 0 HE ARG A 108 -9.111 -18.207 0.237 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -9.429 -19.595 -3.008 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.832 -20.349 -2.954 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -7.090 -19.180 0.288 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -6.514 -20.115 -1.096 1.00 0.00 H new ATOM 1786 N PRO A 109 -10.545 -14.384 2.286 1.00 0.00 N ATOM 1787 CA PRO A 109 -10.574 -13.483 3.453 1.00 0.00 C ATOM 1788 C PRO A 109 -10.854 -12.033 3.053 1.00 0.00 C ATOM 1789 O PRO A 109 -11.096 -11.175 3.909 1.00 0.00 O ATOM 1790 CB PRO A 109 -9.171 -13.625 4.063 1.00 0.00 C ATOM 1791 CG PRO A 109 -8.320 -14.124 2.947 1.00 0.00 C ATOM 1792 CD PRO A 109 -9.212 -15.005 2.121 1.00 0.00 C ATOM 0 HA PRO A 109 -11.371 -13.743 4.150 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.806 -12.671 4.442 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -9.173 -14.322 4.901 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -7.927 -13.298 2.354 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -7.463 -14.680 3.326 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -8.903 -15.024 1.076 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -9.201 -16.036 2.476 1.00 0.00 H new ATOM 1800 N PHE A 110 -10.816 -11.775 1.744 1.00 0.00 N ATOM 1801 CA PHE A 110 -11.170 -10.474 1.185 1.00 0.00 C ATOM 1802 C PHE A 110 -12.468 -9.974 1.818 1.00 0.00 C ATOM 1803 O PHE A 110 -12.495 -8.931 2.463 1.00 0.00 O ATOM 1804 CB PHE A 110 -11.345 -10.595 -0.341 1.00 0.00 C ATOM 1805 CG PHE A 110 -11.345 -9.277 -1.089 1.00 0.00 C ATOM 1806 CD1 PHE A 110 -12.349 -8.334 -0.894 1.00 0.00 C ATOM 1807 CD2 PHE A 110 -10.337 -8.990 -1.998 1.00 0.00 C ATOM 1808 CE1 PHE A 110 -12.342 -7.135 -1.590 1.00 0.00 C ATOM 1809 CE2 PHE A 110 -10.327 -7.795 -2.693 1.00 0.00 C ATOM 1810 CZ PHE A 110 -11.329 -6.867 -2.489 1.00 0.00 C ATOM 0 H PHE A 110 -10.539 -12.463 1.044 1.00 0.00 H new ATOM 0 HA PHE A 110 -10.372 -9.762 1.399 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -10.544 -11.220 -0.736 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -12.283 -11.112 -0.545 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -13.144 -8.538 -0.192 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -9.549 -9.710 -2.165 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -13.128 -6.412 -1.429 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -9.534 -7.587 -3.396 1.00 0.00 H new ATOM 0 HZ PHE A 110 -11.320 -5.933 -3.032 1.00 0.00 H new ATOM 1820 N ASP A 111 -13.529 -10.758 1.654 1.00 0.00 N ATOM 1821 CA ASP A 111 -14.854 -10.390 2.149 1.00 0.00 C ATOM 1822 C ASP A 111 -14.910 -10.432 3.672 1.00 0.00 C ATOM 1823 O ASP A 111 -15.720 -9.741 4.286 1.00 0.00 O ATOM 1824 CB ASP A 111 -15.923 -11.316 1.558 1.00 0.00 C ATOM 1825 CG ASP A 111 -16.057 -11.147 0.055 1.00 0.00 C ATOM 1826 OD1 ASP A 111 -16.794 -10.236 -0.381 1.00 0.00 O ATOM 1827 OD2 ASP A 111 -15.414 -11.912 -0.698 1.00 0.00 O ATOM 0 H ASP A 111 -13.497 -11.660 1.178 1.00 0.00 H new ATOM 0 HA ASP A 111 -15.054 -9.367 1.831 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -15.670 -12.352 1.785 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -16.883 -11.111 2.033 1.00 0.00 H new ATOM 1832 N ASN A 112 -14.048 -11.239 4.280 1.00 0.00 N ATOM 1833 CA ASN A 112 -13.984 -11.325 5.739 1.00 0.00 C ATOM 1834 C ASN A 112 -13.574 -9.977 6.324 1.00 0.00 C ATOM 1835 O ASN A 112 -14.099 -9.547 7.353 1.00 0.00 O ATOM 1836 CB ASN A 112 -13.007 -12.421 6.182 1.00 0.00 C ATOM 1837 CG ASN A 112 -12.810 -12.456 7.692 1.00 0.00 C ATOM 1838 OD1 ASN A 112 -11.875 -11.856 8.224 1.00 0.00 O ATOM 1839 ND2 ASN A 112 -13.697 -13.142 8.394 1.00 0.00 N ATOM 0 H ASN A 112 -13.386 -11.841 3.791 1.00 0.00 H new ATOM 0 HA ASN A 112 -14.974 -11.587 6.112 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -13.377 -13.390 5.845 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -12.044 -12.261 5.697 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -13.619 -13.186 9.410 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -14.459 -13.627 7.919 1.00 0.00 H new ATOM 1846 N GLU A 113 -12.639 -9.313 5.651 1.00 0.00 N ATOM 1847 CA GLU A 113 -12.201 -7.975 6.048 1.00 0.00 C ATOM 1848 C GLU A 113 -13.204 -6.941 5.529 1.00 0.00 C ATOM 1849 O GLU A 113 -13.723 -6.112 6.282 1.00 0.00 O ATOM 1850 CB GLU A 113 -10.798 -7.691 5.473 1.00 0.00 C ATOM 1851 CG GLU A 113 -9.962 -6.686 6.273 1.00 0.00 C ATOM 1852 CD GLU A 113 -10.646 -5.343 6.490 1.00 0.00 C ATOM 1853 OE1 GLU A 113 -10.718 -4.538 5.537 1.00 0.00 O ATOM 1854 OE2 GLU A 113 -11.100 -5.079 7.622 1.00 0.00 O ATOM 0 H GLU A 113 -12.167 -9.680 4.824 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.151 -7.914 7.135 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -10.249 -8.631 5.413 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -10.908 -7.320 4.454 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.722 -7.120 7.243 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.017 -6.521 5.755 1.00 0.00 H new