USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 458 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 163:sc= 1.09 USER MOD Single : A 11 GLN : amide:sc=-0.00718 K(o=-0.0072,f=-1.3) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -2.24 K(o=-2.2,f=-0.081) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.632 K(o=-0.63,f=-2.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -122:sc= 0.711 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.047 K(o=-0.047,f=-3.1!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -85:sc= 0.546 USER MOD Single : A 65 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.383) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.115 K(o=-0.11,f=-1.9!) USER MOD Single : A 69 TYR OH : rot -167:sc= 1.38 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 1.330 4.906 0.700 1.00 0.00 N ATOM 67 CA ASP A 8 2.732 4.528 0.843 1.00 0.00 C ATOM 68 C ASP A 8 2.893 3.012 0.805 1.00 0.00 C ATOM 69 O ASP A 8 2.569 2.319 1.770 1.00 0.00 O ATOM 70 CB ASP A 8 3.301 5.082 2.150 1.00 0.00 C ATOM 71 CG ASP A 8 2.911 6.528 2.385 1.00 0.00 C ATOM 72 OD1 ASP A 8 3.255 7.379 1.539 1.00 0.00 O ATOM 73 OD2 ASP A 8 2.263 6.808 3.415 1.00 0.00 O ATOM 0 HA ASP A 8 3.285 4.954 0.006 1.00 0.00 H new ATOM 0 HB2 ASP A 8 2.948 4.474 2.983 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.388 5.000 2.133 1.00 0.00 H new ATOM 78 N TYR A 9 3.393 2.503 -0.316 1.00 0.00 N ATOM 79 CA TYR A 9 3.593 1.068 -0.481 1.00 0.00 C ATOM 80 C TYR A 9 4.452 0.505 0.648 1.00 0.00 C ATOM 81 O TYR A 9 4.202 -0.594 1.144 1.00 0.00 O ATOM 82 CB TYR A 9 4.250 0.776 -1.831 1.00 0.00 C ATOM 83 CG TYR A 9 3.468 1.306 -3.012 1.00 0.00 C ATOM 84 CD1 TYR A 9 2.087 1.173 -3.072 1.00 0.00 C ATOM 85 CD2 TYR A 9 4.112 1.942 -4.066 1.00 0.00 C ATOM 86 CE1 TYR A 9 1.369 1.656 -4.149 1.00 0.00 C ATOM 87 CE2 TYR A 9 3.402 2.429 -5.147 1.00 0.00 C ATOM 88 CZ TYR A 9 2.031 2.283 -5.184 1.00 0.00 C ATOM 89 OH TYR A 9 1.320 2.767 -6.258 1.00 0.00 O ATOM 0 H TYR A 9 3.667 3.063 -1.123 1.00 0.00 H new ATOM 0 HA TYR A 9 2.617 0.584 -0.447 1.00 0.00 H new ATOM 0 HB2 TYR A 9 5.249 1.213 -1.842 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.372 -0.302 -1.941 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.565 0.684 -2.263 1.00 0.00 H new ATOM 0 HD2 TYR A 9 5.185 2.058 -4.040 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.295 1.543 -4.180 1.00 0.00 H new ATOM 0 HE2 TYR A 9 3.918 2.921 -5.958 1.00 0.00 H new ATOM 0 HH TYR A 9 1.936 3.181 -6.898 1.00 0.00 H new ATOM 99 N TYR A 10 5.464 1.265 1.048 1.00 0.00 N ATOM 100 CA TYR A 10 6.362 0.843 2.116 1.00 0.00 C ATOM 101 C TYR A 10 5.583 0.526 3.389 1.00 0.00 C ATOM 102 O TYR A 10 5.986 -0.328 4.178 1.00 0.00 O ATOM 103 CB TYR A 10 7.401 1.930 2.398 1.00 0.00 C ATOM 104 CG TYR A 10 8.340 2.185 1.241 1.00 0.00 C ATOM 105 CD1 TYR A 10 9.178 1.184 0.766 1.00 0.00 C ATOM 106 CD2 TYR A 10 8.388 3.428 0.621 1.00 0.00 C ATOM 107 CE1 TYR A 10 10.038 1.414 -0.290 1.00 0.00 C ATOM 108 CE2 TYR A 10 9.243 3.666 -0.437 1.00 0.00 C ATOM 109 CZ TYR A 10 10.067 2.656 -0.889 1.00 0.00 C ATOM 110 OH TYR A 10 10.921 2.888 -1.943 1.00 0.00 O ATOM 0 H TYR A 10 5.684 2.177 0.649 1.00 0.00 H new ATOM 0 HA TYR A 10 6.873 -0.062 1.789 1.00 0.00 H new ATOM 0 HB2 TYR A 10 6.886 2.857 2.648 1.00 0.00 H new ATOM 0 HB3 TYR A 10 7.985 1.644 3.273 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.157 0.209 1.230 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.745 4.222 0.973 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.685 0.625 -0.645 1.00 0.00 H new ATOM 0 HE2 TYR A 10 9.266 4.638 -0.908 1.00 0.00 H new ATOM 0 HH TYR A 10 10.639 3.695 -2.421 1.00 0.00 H new ATOM 120 N GLN A 11 4.466 1.220 3.579 1.00 0.00 N ATOM 121 CA GLN A 11 3.630 1.012 4.756 1.00 0.00 C ATOM 122 C GLN A 11 2.727 -0.203 4.575 1.00 0.00 C ATOM 123 O GLN A 11 2.543 -0.995 5.500 1.00 0.00 O ATOM 124 CB GLN A 11 2.782 2.256 5.031 1.00 0.00 C ATOM 125 CG GLN A 11 3.464 3.269 5.935 1.00 0.00 C ATOM 126 CD GLN A 11 3.349 2.911 7.404 1.00 0.00 C ATOM 127 OE1 GLN A 11 3.955 1.946 7.869 1.00 0.00 O ATOM 128 NE2 GLN A 11 2.568 3.690 8.144 1.00 0.00 N ATOM 0 H GLN A 11 4.119 1.930 2.934 1.00 0.00 H new ATOM 0 HA GLN A 11 4.285 0.831 5.608 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.536 2.735 4.083 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.840 1.950 5.487 1.00 0.00 H new ATOM 0 HG2 GLN A 11 4.517 3.341 5.664 1.00 0.00 H new ATOM 0 HG3 GLN A 11 3.024 4.252 5.769 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.084 4.480 7.717 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.452 3.498 9.139 1.00 0.00 H new ATOM 137 N ILE A 12 2.166 -0.344 3.379 1.00 0.00 N ATOM 138 CA ILE A 12 1.283 -1.464 3.077 1.00 0.00 C ATOM 139 C ILE A 12 2.004 -2.796 3.254 1.00 0.00 C ATOM 140 O ILE A 12 1.432 -3.761 3.762 1.00 0.00 O ATOM 141 CB ILE A 12 0.734 -1.377 1.641 1.00 0.00 C ATOM 142 CG1 ILE A 12 -0.171 -0.152 1.490 1.00 0.00 C ATOM 143 CG2 ILE A 12 -0.022 -2.648 1.284 1.00 0.00 C ATOM 144 CD1 ILE A 12 -0.506 0.179 0.053 1.00 0.00 C ATOM 0 H ILE A 12 2.307 0.303 2.603 1.00 0.00 H new ATOM 0 HA ILE A 12 0.451 -1.408 3.779 1.00 0.00 H new ATOM 0 HB ILE A 12 1.573 -1.272 0.954 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.096 -0.324 2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.317 0.708 1.948 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.404 -2.571 0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.650 -3.503 1.356 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.855 -2.782 1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.150 1.058 0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.413 0.383 -0.497 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.022 -0.665 -0.404 1.00 0.00 H new ATOM 156 N LEU A 13 3.263 -2.841 2.832 1.00 0.00 N ATOM 157 CA LEU A 13 4.065 -4.055 2.946 1.00 0.00 C ATOM 158 C LEU A 13 4.709 -4.155 4.325 1.00 0.00 C ATOM 159 O LEU A 13 4.735 -5.224 4.932 1.00 0.00 O ATOM 160 CB LEU A 13 5.145 -4.079 1.863 1.00 0.00 C ATOM 161 CG LEU A 13 4.689 -4.515 0.470 1.00 0.00 C ATOM 162 CD1 LEU A 13 5.713 -4.110 -0.578 1.00 0.00 C ATOM 163 CD2 LEU A 13 4.451 -6.018 0.433 1.00 0.00 C ATOM 0 H LEU A 13 3.750 -2.052 2.408 1.00 0.00 H new ATOM 0 HA LEU A 13 3.405 -4.912 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.577 -3.081 1.786 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.943 -4.747 2.188 1.00 0.00 H new ATOM 0 HG LEU A 13 3.749 -4.012 0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.371 -4.429 -1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.834 -3.027 -0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.669 -4.584 -0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.127 -6.311 -0.566 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.376 -6.539 0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.680 -6.282 1.156 1.00 0.00 H new ATOM 175 N GLY A 14 5.226 -3.032 4.814 1.00 0.00 N ATOM 176 CA GLY A 14 5.861 -3.015 6.119 1.00 0.00 C ATOM 177 C GLY A 14 7.373 -3.058 6.028 1.00 0.00 C ATOM 178 O GLY A 14 8.028 -3.774 6.785 1.00 0.00 O ATOM 0 H GLY A 14 5.216 -2.134 4.330 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.558 -2.116 6.656 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.511 -3.867 6.701 1.00 0.00 H new ATOM 182 N VAL A 15 7.931 -2.290 5.097 1.00 0.00 N ATOM 183 CA VAL A 15 9.376 -2.244 4.909 1.00 0.00 C ATOM 184 C VAL A 15 9.878 -0.805 4.857 1.00 0.00 C ATOM 185 O VAL A 15 9.166 0.112 4.446 1.00 0.00 O ATOM 186 CB VAL A 15 9.798 -2.970 3.618 1.00 0.00 C ATOM 187 CG1 VAL A 15 9.747 -4.478 3.813 1.00 0.00 C ATOM 188 CG2 VAL A 15 8.915 -2.544 2.455 1.00 0.00 C ATOM 0 H VAL A 15 7.404 -1.691 4.461 1.00 0.00 H new ATOM 0 HA VAL A 15 9.822 -2.751 5.764 1.00 0.00 H new ATOM 0 HB VAL A 15 10.826 -2.693 3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 15 10.048 -4.975 2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.425 -4.764 4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.731 -4.777 4.071 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.227 -3.067 1.551 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.877 -2.791 2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 15 9.008 -1.469 2.303 1.00 0.00 H new ATOM 198 N PRO A 16 11.133 -0.600 5.282 1.00 0.00 N ATOM 199 CA PRO A 16 11.759 0.725 5.293 1.00 0.00 C ATOM 200 C PRO A 16 12.047 1.241 3.887 1.00 0.00 C ATOM 201 O PRO A 16 12.408 0.473 2.995 1.00 0.00 O ATOM 202 CB PRO A 16 13.066 0.494 6.056 1.00 0.00 C ATOM 203 CG PRO A 16 13.369 -0.951 5.859 1.00 0.00 C ATOM 204 CD PRO A 16 12.038 -1.647 5.785 1.00 0.00 C ATOM 0 HA PRO A 16 11.113 1.477 5.745 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.867 1.123 5.668 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.955 0.735 7.113 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.943 -1.108 4.946 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.968 -1.340 6.683 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.070 -2.506 5.115 1.00 0.00 H new ATOM 0 HD3 PRO A 16 11.723 -2.016 6.761 1.00 0.00 H new ATOM 212 N ARG A 17 11.886 2.547 3.696 1.00 0.00 N ATOM 213 CA ARG A 17 12.128 3.165 2.398 1.00 0.00 C ATOM 214 C ARG A 17 13.459 2.700 1.815 1.00 0.00 C ATOM 215 O ARG A 17 13.610 2.588 0.599 1.00 0.00 O ATOM 216 CB ARG A 17 12.120 4.689 2.526 1.00 0.00 C ATOM 217 CG ARG A 17 10.732 5.302 2.419 1.00 0.00 C ATOM 218 CD ARG A 17 9.854 4.900 3.594 1.00 0.00 C ATOM 219 NE ARG A 17 8.592 5.634 3.609 1.00 0.00 N ATOM 220 CZ ARG A 17 7.649 5.455 4.527 1.00 0.00 C ATOM 221 NH1 ARG A 17 7.825 4.571 5.500 1.00 0.00 N ATOM 222 NH2 ARG A 17 6.527 6.161 4.474 1.00 0.00 N ATOM 0 H ARG A 17 11.589 3.197 4.424 1.00 0.00 H new ATOM 0 HA ARG A 17 11.328 2.860 1.723 1.00 0.00 H new ATOM 0 HB2 ARG A 17 12.558 4.967 3.485 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.756 5.114 1.750 1.00 0.00 H new ATOM 0 HG2 ARG A 17 10.815 6.388 2.380 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.263 4.984 1.488 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.651 3.830 3.546 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.390 5.081 4.526 1.00 0.00 H new ATOM 0 HE ARG A 17 8.425 6.322 2.874 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.686 4.026 5.545 1.00 0.00 H new ATOM 0 HH12 ARG A 17 7.099 4.436 6.204 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.388 6.842 3.728 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.804 6.023 5.180 1.00 0.00 H new ATOM 236 N ASN A 18 14.422 2.432 2.690 1.00 0.00 N ATOM 237 CA ASN A 18 15.741 1.981 2.262 1.00 0.00 C ATOM 238 C ASN A 18 15.868 0.466 2.396 1.00 0.00 C ATOM 239 O ASN A 18 16.925 -0.048 2.759 1.00 0.00 O ATOM 240 CB ASN A 18 16.831 2.670 3.085 1.00 0.00 C ATOM 241 CG ASN A 18 16.591 4.160 3.231 1.00 0.00 C ATOM 242 OD1 ASN A 18 16.079 4.810 2.319 1.00 0.00 O ATOM 243 ND2 ASN A 18 16.959 4.709 4.382 1.00 0.00 N ATOM 0 H ASN A 18 14.314 2.519 3.700 1.00 0.00 H new ATOM 0 HA ASN A 18 15.865 2.247 1.212 1.00 0.00 H new ATOM 0 HB2 ASN A 18 16.879 2.214 4.074 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.799 2.505 2.611 1.00 0.00 H new ATOM 0 HD21 ASN A 18 16.821 5.708 4.538 1.00 0.00 H new ATOM 0 HD22 ASN A 18 17.380 4.132 5.111 1.00 0.00 H new ATOM 250 N ALA A 19 14.783 -0.241 2.100 1.00 0.00 N ATOM 251 CA ALA A 19 14.773 -1.696 2.185 1.00 0.00 C ATOM 252 C ALA A 19 15.498 -2.321 0.998 1.00 0.00 C ATOM 253 O ALA A 19 15.615 -1.707 -0.063 1.00 0.00 O ATOM 254 CB ALA A 19 13.343 -2.211 2.263 1.00 0.00 C ATOM 0 H ALA A 19 13.899 0.170 1.799 1.00 0.00 H new ATOM 0 HA ALA A 19 15.302 -1.985 3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 19 13.351 -3.299 2.326 1.00 0.00 H new ATOM 0 HB2 ALA A 19 12.856 -1.800 3.147 1.00 0.00 H new ATOM 0 HB3 ALA A 19 12.796 -1.903 1.372 1.00 0.00 H new ATOM 260 N SER A 20 15.984 -3.544 1.183 1.00 0.00 N ATOM 261 CA SER A 20 16.702 -4.249 0.128 1.00 0.00 C ATOM 262 C SER A 20 15.764 -5.172 -0.644 1.00 0.00 C ATOM 263 O SER A 20 14.877 -5.798 -0.064 1.00 0.00 O ATOM 264 CB SER A 20 17.857 -5.058 0.721 1.00 0.00 C ATOM 265 OG SER A 20 18.806 -5.398 -0.275 1.00 0.00 O ATOM 0 H SER A 20 15.894 -4.067 2.054 1.00 0.00 H new ATOM 0 HA SER A 20 17.104 -3.507 -0.562 1.00 0.00 H new ATOM 0 HB2 SER A 20 18.342 -4.481 1.508 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.469 -5.966 1.183 1.00 0.00 H new ATOM 0 HG SER A 20 19.535 -5.913 0.130 1.00 0.00 H new ATOM 271 N GLN A 21 15.968 -5.250 -1.955 1.00 0.00 N ATOM 272 CA GLN A 21 15.140 -6.095 -2.807 1.00 0.00 C ATOM 273 C GLN A 21 14.743 -7.377 -2.082 1.00 0.00 C ATOM 274 O GLN A 21 13.583 -7.787 -2.113 1.00 0.00 O ATOM 275 CB GLN A 21 15.884 -6.437 -4.100 1.00 0.00 C ATOM 276 CG GLN A 21 15.907 -5.298 -5.106 1.00 0.00 C ATOM 277 CD GLN A 21 14.531 -4.974 -5.654 1.00 0.00 C ATOM 278 OE1 GLN A 21 14.086 -5.569 -6.636 1.00 0.00 O ATOM 279 NE2 GLN A 21 13.849 -4.028 -5.020 1.00 0.00 N ATOM 0 H GLN A 21 16.699 -4.739 -2.450 1.00 0.00 H new ATOM 0 HA GLN A 21 14.233 -5.542 -3.052 1.00 0.00 H new ATOM 0 HB2 GLN A 21 16.909 -6.717 -3.857 1.00 0.00 H new ATOM 0 HB3 GLN A 21 15.416 -7.308 -4.560 1.00 0.00 H new ATOM 0 HG2 GLN A 21 16.324 -4.409 -4.633 1.00 0.00 H new ATOM 0 HG3 GLN A 21 16.570 -5.560 -5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 21 14.257 -3.561 -4.210 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.917 -3.768 -5.343 1.00 0.00 H new ATOM 288 N LYS A 22 15.714 -8.006 -1.428 1.00 0.00 N ATOM 289 CA LYS A 22 15.467 -9.241 -0.693 1.00 0.00 C ATOM 290 C LYS A 22 14.317 -9.066 0.293 1.00 0.00 C ATOM 291 O LYS A 22 13.373 -9.855 0.304 1.00 0.00 O ATOM 292 CB LYS A 22 16.731 -9.676 0.052 1.00 0.00 C ATOM 293 CG LYS A 22 16.568 -10.979 0.815 1.00 0.00 C ATOM 294 CD LYS A 22 17.901 -11.492 1.334 1.00 0.00 C ATOM 295 CE LYS A 22 17.716 -12.423 2.522 1.00 0.00 C ATOM 296 NZ LYS A 22 17.552 -11.671 3.796 1.00 0.00 N ATOM 0 H LYS A 22 16.680 -7.680 -1.392 1.00 0.00 H new ATOM 0 HA LYS A 22 15.192 -10.014 -1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 22 17.546 -9.783 -0.664 1.00 0.00 H new ATOM 0 HB3 LYS A 22 17.021 -8.890 0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 22 15.884 -10.829 1.651 1.00 0.00 H new ATOM 0 HG3 LYS A 22 16.117 -11.728 0.165 1.00 0.00 H new ATOM 0 HD2 LYS A 22 18.425 -12.018 0.536 1.00 0.00 H new ATOM 0 HD3 LYS A 22 18.528 -10.649 1.625 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.842 -13.053 2.357 1.00 0.00 H new ATOM 0 HE3 LYS A 22 18.577 -13.087 2.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 17.429 -12.341 4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 18.397 -11.089 3.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 16.716 -11.056 3.731 1.00 0.00 H new ATOM 310 N GLU A 23 14.403 -8.027 1.118 1.00 0.00 N ATOM 311 CA GLU A 23 13.368 -7.750 2.107 1.00 0.00 C ATOM 312 C GLU A 23 12.019 -7.515 1.432 1.00 0.00 C ATOM 313 O GLU A 23 10.995 -8.041 1.867 1.00 0.00 O ATOM 314 CB GLU A 23 13.749 -6.531 2.948 1.00 0.00 C ATOM 315 CG GLU A 23 14.593 -6.871 4.165 1.00 0.00 C ATOM 316 CD GLU A 23 16.063 -7.029 3.828 1.00 0.00 C ATOM 317 OE1 GLU A 23 16.375 -7.344 2.661 1.00 0.00 O ATOM 318 OE2 GLU A 23 16.902 -6.839 4.734 1.00 0.00 O ATOM 0 H GLU A 23 15.178 -7.364 1.121 1.00 0.00 H new ATOM 0 HA GLU A 23 13.282 -8.619 2.759 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.296 -5.825 2.323 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.839 -6.028 3.276 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.478 -6.087 4.913 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.225 -7.795 4.612 1.00 0.00 H new ATOM 325 N ILE A 24 12.028 -6.720 0.367 1.00 0.00 N ATOM 326 CA ILE A 24 10.807 -6.415 -0.369 1.00 0.00 C ATOM 327 C ILE A 24 10.130 -7.689 -0.862 1.00 0.00 C ATOM 328 O ILE A 24 8.916 -7.851 -0.733 1.00 0.00 O ATOM 329 CB ILE A 24 11.089 -5.498 -1.573 1.00 0.00 C ATOM 330 CG1 ILE A 24 11.671 -4.164 -1.100 1.00 0.00 C ATOM 331 CG2 ILE A 24 9.818 -5.272 -2.376 1.00 0.00 C ATOM 332 CD1 ILE A 24 12.256 -3.330 -2.218 1.00 0.00 C ATOM 0 H ILE A 24 12.867 -6.276 -0.005 1.00 0.00 H new ATOM 0 HA ILE A 24 10.143 -5.897 0.323 1.00 0.00 H new ATOM 0 HB ILE A 24 11.821 -5.984 -2.218 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.888 -3.592 -0.602 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.446 -4.357 -0.358 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.034 -4.622 -3.224 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.442 -6.229 -2.739 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.065 -4.803 -1.742 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.650 -2.399 -1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 24 13.061 -3.883 -2.702 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.479 -3.106 -2.949 1.00 0.00 H new ATOM 344 N LYS A 25 10.923 -8.594 -1.426 1.00 0.00 N ATOM 345 CA LYS A 25 10.403 -9.856 -1.937 1.00 0.00 C ATOM 346 C LYS A 25 9.775 -10.679 -0.816 1.00 0.00 C ATOM 347 O LYS A 25 8.580 -10.974 -0.842 1.00 0.00 O ATOM 348 CB LYS A 25 11.520 -10.658 -2.609 1.00 0.00 C ATOM 349 CG LYS A 25 11.013 -11.778 -3.501 1.00 0.00 C ATOM 350 CD LYS A 25 12.089 -12.821 -3.752 1.00 0.00 C ATOM 351 CE LYS A 25 12.916 -12.483 -4.983 1.00 0.00 C ATOM 352 NZ LYS A 25 13.956 -13.515 -5.253 1.00 0.00 N ATOM 0 H LYS A 25 11.930 -8.476 -1.541 1.00 0.00 H new ATOM 0 HA LYS A 25 9.633 -9.631 -2.674 1.00 0.00 H new ATOM 0 HB2 LYS A 25 12.134 -9.982 -3.203 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.165 -11.082 -1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.148 -12.251 -3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.678 -11.364 -4.452 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.741 -12.889 -2.881 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.626 -13.799 -3.881 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.259 -12.394 -5.848 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.394 -11.513 -4.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.498 -13.248 -6.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.598 -13.582 -4.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.499 -14.436 -5.411 1.00 0.00 H new ATOM 366 N LYS A 26 10.588 -11.047 0.168 1.00 0.00 N ATOM 367 CA LYS A 26 10.114 -11.834 1.300 1.00 0.00 C ATOM 368 C LYS A 26 8.830 -11.242 1.873 1.00 0.00 C ATOM 369 O LYS A 26 7.814 -11.929 1.982 1.00 0.00 O ATOM 370 CB LYS A 26 11.187 -11.899 2.388 1.00 0.00 C ATOM 371 CG LYS A 26 11.134 -13.170 3.219 1.00 0.00 C ATOM 372 CD LYS A 26 11.712 -14.355 2.464 1.00 0.00 C ATOM 373 CE LYS A 26 13.232 -14.355 2.505 1.00 0.00 C ATOM 374 NZ LYS A 26 13.755 -15.065 3.706 1.00 0.00 N ATOM 0 H LYS A 26 11.580 -10.812 0.204 1.00 0.00 H new ATOM 0 HA LYS A 26 9.903 -12.843 0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 26 12.170 -11.820 1.923 1.00 0.00 H new ATOM 0 HB3 LYS A 26 11.076 -11.038 3.048 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.688 -13.023 4.146 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.101 -13.382 3.495 1.00 0.00 H new ATOM 0 HD2 LYS A 26 11.335 -15.282 2.897 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.375 -14.327 1.428 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.620 -14.831 1.604 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.595 -13.327 2.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.795 -15.043 3.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 13.406 -14.596 4.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.430 -16.053 3.694 1.00 0.00 H new ATOM 388 N ALA A 27 8.882 -9.965 2.236 1.00 0.00 N ATOM 389 CA ALA A 27 7.722 -9.281 2.794 1.00 0.00 C ATOM 390 C ALA A 27 6.504 -9.441 1.892 1.00 0.00 C ATOM 391 O ALA A 27 5.432 -9.845 2.345 1.00 0.00 O ATOM 392 CB ALA A 27 8.032 -7.807 3.010 1.00 0.00 C ATOM 0 H ALA A 27 9.715 -9.383 2.154 1.00 0.00 H new ATOM 0 HA ALA A 27 7.490 -9.737 3.757 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.157 -7.308 3.427 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.869 -7.709 3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.292 -7.346 2.057 1.00 0.00 H new ATOM 398 N TYR A 28 6.674 -9.122 0.614 1.00 0.00 N ATOM 399 CA TYR A 28 5.587 -9.227 -0.352 1.00 0.00 C ATOM 400 C TYR A 28 4.855 -10.558 -0.205 1.00 0.00 C ATOM 401 O TYR A 28 3.636 -10.594 -0.034 1.00 0.00 O ATOM 402 CB TYR A 28 6.126 -9.083 -1.776 1.00 0.00 C ATOM 403 CG TYR A 28 5.136 -9.495 -2.843 1.00 0.00 C ATOM 404 CD1 TYR A 28 3.823 -9.043 -2.812 1.00 0.00 C ATOM 405 CD2 TYR A 28 5.515 -10.337 -3.882 1.00 0.00 C ATOM 406 CE1 TYR A 28 2.916 -9.417 -3.784 1.00 0.00 C ATOM 407 CE2 TYR A 28 4.615 -10.716 -4.859 1.00 0.00 C ATOM 408 CZ TYR A 28 3.316 -10.254 -4.805 1.00 0.00 C ATOM 409 OH TYR A 28 2.416 -10.628 -5.776 1.00 0.00 O ATOM 0 H TYR A 28 7.555 -8.788 0.223 1.00 0.00 H new ATOM 0 HA TYR A 28 4.881 -8.420 -0.155 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.416 -8.046 -1.943 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.028 -9.686 -1.877 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.506 -8.388 -2.014 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.531 -10.701 -3.926 1.00 0.00 H new ATOM 0 HE1 TYR A 28 1.899 -9.056 -3.745 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.926 -11.370 -5.660 1.00 0.00 H new ATOM 0 HH TYR A 28 2.858 -11.218 -6.422 1.00 0.00 H new ATOM 419 N TYR A 29 5.608 -11.650 -0.273 1.00 0.00 N ATOM 420 CA TYR A 29 5.033 -12.984 -0.150 1.00 0.00 C ATOM 421 C TYR A 29 4.422 -13.188 1.234 1.00 0.00 C ATOM 422 O TYR A 29 3.281 -13.631 1.361 1.00 0.00 O ATOM 423 CB TYR A 29 6.100 -14.049 -0.411 1.00 0.00 C ATOM 424 CG TYR A 29 6.408 -14.250 -1.877 1.00 0.00 C ATOM 425 CD1 TYR A 29 5.442 -14.738 -2.749 1.00 0.00 C ATOM 426 CD2 TYR A 29 7.664 -13.953 -2.391 1.00 0.00 C ATOM 427 CE1 TYR A 29 5.719 -14.925 -4.090 1.00 0.00 C ATOM 428 CE2 TYR A 29 7.949 -14.134 -3.730 1.00 0.00 C ATOM 429 CZ TYR A 29 6.974 -14.621 -4.576 1.00 0.00 C ATOM 430 OH TYR A 29 7.255 -14.804 -5.910 1.00 0.00 O ATOM 0 H TYR A 29 6.618 -11.638 -0.413 1.00 0.00 H new ATOM 0 HA TYR A 29 4.243 -13.081 -0.895 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.016 -13.769 0.109 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.768 -14.996 0.015 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.458 -14.975 -2.372 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.431 -13.574 -1.732 1.00 0.00 H new ATOM 0 HE1 TYR A 29 4.957 -15.307 -4.754 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.930 -13.896 -4.113 1.00 0.00 H new ATOM 0 HH TYR A 29 8.182 -14.541 -6.088 1.00 0.00 H new ATOM 440 N GLN A 30 5.192 -12.861 2.267 1.00 0.00 N ATOM 441 CA GLN A 30 4.728 -13.008 3.641 1.00 0.00 C ATOM 442 C GLN A 30 3.320 -12.445 3.804 1.00 0.00 C ATOM 443 O GLN A 30 2.442 -13.094 4.374 1.00 0.00 O ATOM 444 CB GLN A 30 5.686 -12.305 4.604 1.00 0.00 C ATOM 445 CG GLN A 30 6.830 -13.187 5.077 1.00 0.00 C ATOM 446 CD GLN A 30 6.348 -14.439 5.782 1.00 0.00 C ATOM 447 OE1 GLN A 30 5.176 -14.550 6.143 1.00 0.00 O ATOM 448 NE2 GLN A 30 7.252 -15.391 5.982 1.00 0.00 N ATOM 0 H GLN A 30 6.139 -12.493 2.178 1.00 0.00 H new ATOM 0 HA GLN A 30 4.703 -14.072 3.877 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.097 -11.422 4.114 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.125 -11.956 5.471 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.444 -13.470 4.222 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.468 -12.617 5.752 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.213 -15.257 5.666 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.986 -16.257 6.451 1.00 0.00 H new ATOM 457 N LEU A 31 3.111 -11.233 3.300 1.00 0.00 N ATOM 458 CA LEU A 31 1.809 -10.581 3.389 1.00 0.00 C ATOM 459 C LEU A 31 0.806 -11.237 2.445 1.00 0.00 C ATOM 460 O LEU A 31 -0.297 -11.599 2.851 1.00 0.00 O ATOM 461 CB LEU A 31 1.939 -9.093 3.061 1.00 0.00 C ATOM 462 CG LEU A 31 2.347 -8.183 4.220 1.00 0.00 C ATOM 463 CD1 LEU A 31 1.382 -8.338 5.385 1.00 0.00 C ATOM 464 CD2 LEU A 31 3.772 -8.486 4.660 1.00 0.00 C ATOM 0 H LEU A 31 3.827 -10.682 2.826 1.00 0.00 H new ATOM 0 HA LEU A 31 1.444 -10.691 4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.672 -8.980 2.262 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.984 -8.743 2.670 1.00 0.00 H new ATOM 0 HG LEU A 31 2.307 -7.149 3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.688 -7.683 6.201 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.376 -8.070 5.062 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.389 -9.372 5.728 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.045 -7.829 5.486 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.839 -9.524 4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.453 -8.322 3.825 1.00 0.00 H new ATOM 476 N ALA A 32 1.199 -11.387 1.185 1.00 0.00 N ATOM 477 CA ALA A 32 0.336 -12.003 0.184 1.00 0.00 C ATOM 478 C ALA A 32 -0.326 -13.263 0.731 1.00 0.00 C ATOM 479 O ALA A 32 -1.551 -13.341 0.830 1.00 0.00 O ATOM 480 CB ALA A 32 1.131 -12.325 -1.073 1.00 0.00 C ATOM 0 H ALA A 32 2.109 -11.091 0.833 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.450 -11.292 -0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.474 -12.784 -1.811 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.551 -11.407 -1.483 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.938 -13.015 -0.826 1.00 0.00 H new ATOM 486 N LYS A 33 0.491 -14.249 1.085 1.00 0.00 N ATOM 487 CA LYS A 33 -0.014 -15.507 1.622 1.00 0.00 C ATOM 488 C LYS A 33 -1.004 -15.256 2.755 1.00 0.00 C ATOM 489 O LYS A 33 -2.042 -15.911 2.843 1.00 0.00 O ATOM 490 CB LYS A 33 1.144 -16.372 2.125 1.00 0.00 C ATOM 491 CG LYS A 33 0.847 -17.862 2.096 1.00 0.00 C ATOM 492 CD LYS A 33 1.876 -18.650 2.889 1.00 0.00 C ATOM 493 CE LYS A 33 1.941 -20.100 2.432 1.00 0.00 C ATOM 494 NZ LYS A 33 3.121 -20.808 3.000 1.00 0.00 N ATOM 0 H LYS A 33 1.507 -14.201 1.010 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.532 -16.034 0.820 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.026 -16.174 1.516 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.389 -16.079 3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.147 -18.044 2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.836 -18.212 1.064 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.856 -18.187 2.776 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.626 -18.612 3.949 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.029 -20.616 2.731 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.985 -20.136 1.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.129 -21.793 2.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.993 -20.331 2.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.066 -20.796 4.038 1.00 0.00 H new ATOM 508 N LYS A 34 -0.676 -14.302 3.620 1.00 0.00 N ATOM 509 CA LYS A 34 -1.537 -13.962 4.747 1.00 0.00 C ATOM 510 C LYS A 34 -2.899 -13.476 4.263 1.00 0.00 C ATOM 511 O LYS A 34 -3.931 -13.805 4.849 1.00 0.00 O ATOM 512 CB LYS A 34 -0.878 -12.885 5.612 1.00 0.00 C ATOM 513 CG LYS A 34 -1.770 -12.371 6.728 1.00 0.00 C ATOM 514 CD LYS A 34 -1.247 -11.065 7.303 1.00 0.00 C ATOM 515 CE LYS A 34 -0.275 -11.310 8.447 1.00 0.00 C ATOM 516 NZ LYS A 34 -0.983 -11.598 9.725 1.00 0.00 N ATOM 0 H LYS A 34 0.180 -13.750 3.562 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.683 -14.861 5.345 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.037 -13.289 6.046 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.587 -12.049 4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.781 -12.223 6.348 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -1.832 -13.119 7.519 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.751 -10.494 6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.083 -10.461 7.657 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.377 -12.147 8.197 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.363 -10.436 8.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.286 -11.759 10.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.586 -10.789 9.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.573 -12.447 9.611 1.00 0.00 H new ATOM 530 N TYR A 35 -2.896 -12.693 3.190 1.00 0.00 N ATOM 531 CA TYR A 35 -4.132 -12.161 2.628 1.00 0.00 C ATOM 532 C TYR A 35 -4.457 -12.830 1.296 1.00 0.00 C ATOM 533 O TYR A 35 -4.872 -12.172 0.342 1.00 0.00 O ATOM 534 CB TYR A 35 -4.020 -10.648 2.437 1.00 0.00 C ATOM 535 CG TYR A 35 -3.772 -9.891 3.722 1.00 0.00 C ATOM 536 CD1 TYR A 35 -4.711 -9.898 4.747 1.00 0.00 C ATOM 537 CD2 TYR A 35 -2.600 -9.170 3.913 1.00 0.00 C ATOM 538 CE1 TYR A 35 -4.490 -9.208 5.923 1.00 0.00 C ATOM 539 CE2 TYR A 35 -2.370 -8.479 5.086 1.00 0.00 C ATOM 540 CZ TYR A 35 -3.317 -8.500 6.088 1.00 0.00 C ATOM 541 OH TYR A 35 -3.092 -7.812 7.258 1.00 0.00 O ATOM 0 H TYR A 35 -2.051 -12.413 2.692 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.940 -12.374 3.328 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.209 -10.438 1.739 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.938 -10.279 1.980 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.629 -10.453 4.622 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.856 -9.150 3.130 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.231 -9.222 6.709 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -1.453 -7.925 5.218 1.00 0.00 H new ATOM 0 HH TYR A 35 -2.220 -7.368 7.214 1.00 0.00 H new ATOM 551 N HIS A 36 -4.266 -14.145 1.240 1.00 0.00 N ATOM 552 CA HIS A 36 -4.540 -14.906 0.026 1.00 0.00 C ATOM 553 C HIS A 36 -6.041 -15.093 -0.171 1.00 0.00 C ATOM 554 O HIS A 36 -6.790 -15.337 0.776 1.00 0.00 O ATOM 555 CB HIS A 36 -3.848 -16.268 0.085 1.00 0.00 C ATOM 556 CG HIS A 36 -3.545 -16.845 -1.263 1.00 0.00 C ATOM 557 ND1 HIS A 36 -4.470 -17.547 -2.007 1.00 0.00 N ATOM 558 CD2 HIS A 36 -2.411 -16.819 -2.003 1.00 0.00 C ATOM 559 CE1 HIS A 36 -3.918 -17.930 -3.144 1.00 0.00 C ATOM 560 NE2 HIS A 36 -2.669 -17.500 -3.167 1.00 0.00 N ATOM 0 H HIS A 36 -3.923 -14.705 2.021 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.147 -14.344 -0.821 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -2.919 -16.170 0.646 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.481 -16.964 0.635 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.478 -16.350 -1.729 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -4.405 -18.498 -3.923 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.004 -17.650 -3.926 1.00 0.00 H new ATOM 704 N ALA A 46 -10.215 -8.460 1.908 1.00 0.00 N ATOM 705 CA ALA A 46 -9.014 -9.130 1.425 1.00 0.00 C ATOM 706 C ALA A 46 -8.742 -8.786 -0.035 1.00 0.00 C ATOM 707 O ALA A 46 -7.622 -8.431 -0.402 1.00 0.00 O ATOM 708 CB ALA A 46 -9.144 -10.636 1.599 1.00 0.00 C ATOM 0 HA ALA A 46 -8.169 -8.778 2.017 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.240 -11.124 1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.282 -10.870 2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.004 -10.995 1.033 1.00 0.00 H new ATOM 714 N LYS A 47 -9.774 -8.893 -0.865 1.00 0.00 N ATOM 715 CA LYS A 47 -9.648 -8.592 -2.286 1.00 0.00 C ATOM 716 C LYS A 47 -8.799 -7.344 -2.505 1.00 0.00 C ATOM 717 O LYS A 47 -7.775 -7.391 -3.186 1.00 0.00 O ATOM 718 CB LYS A 47 -11.031 -8.397 -2.912 1.00 0.00 C ATOM 719 CG LYS A 47 -11.096 -8.792 -4.378 1.00 0.00 C ATOM 720 CD LYS A 47 -11.186 -10.299 -4.546 1.00 0.00 C ATOM 721 CE LYS A 47 -10.813 -10.725 -5.958 1.00 0.00 C ATOM 722 NZ LYS A 47 -11.881 -10.388 -6.939 1.00 0.00 N ATOM 0 H LYS A 47 -10.708 -9.186 -0.578 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.153 -9.436 -2.768 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.760 -8.984 -2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.321 -7.351 -2.813 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.961 -8.321 -4.845 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.212 -8.419 -4.896 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -10.523 -10.786 -3.831 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.199 -10.632 -4.320 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.884 -10.237 -6.251 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -10.629 -11.799 -5.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.589 -10.694 -7.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.762 -10.874 -6.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -12.040 -9.360 -6.940 1.00 0.00 H new ATOM 736 N GLU A 48 -9.231 -6.230 -1.922 1.00 0.00 N ATOM 737 CA GLU A 48 -8.508 -4.970 -2.053 1.00 0.00 C ATOM 738 C GLU A 48 -7.090 -5.096 -1.504 1.00 0.00 C ATOM 739 O GLU A 48 -6.127 -4.659 -2.134 1.00 0.00 O ATOM 740 CB GLU A 48 -9.253 -3.851 -1.322 1.00 0.00 C ATOM 741 CG GLU A 48 -9.042 -2.477 -1.936 1.00 0.00 C ATOM 742 CD GLU A 48 -9.206 -1.357 -0.927 1.00 0.00 C ATOM 743 OE1 GLU A 48 -8.382 -1.274 0.007 1.00 0.00 O ATOM 744 OE2 GLU A 48 -10.159 -0.562 -1.072 1.00 0.00 O ATOM 0 H GLU A 48 -10.077 -6.174 -1.355 1.00 0.00 H new ATOM 0 HA GLU A 48 -8.447 -4.724 -3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -10.319 -4.078 -1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.928 -3.829 -0.282 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.044 -2.427 -2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.752 -2.334 -2.751 1.00 0.00 H new ATOM 751 N LYS A 49 -6.970 -5.695 -0.324 1.00 0.00 N ATOM 752 CA LYS A 49 -5.671 -5.880 0.312 1.00 0.00 C ATOM 753 C LYS A 49 -4.682 -6.529 -0.650 1.00 0.00 C ATOM 754 O LYS A 49 -3.623 -5.970 -0.938 1.00 0.00 O ATOM 755 CB LYS A 49 -5.814 -6.740 1.570 1.00 0.00 C ATOM 756 CG LYS A 49 -6.123 -5.939 2.823 1.00 0.00 C ATOM 757 CD LYS A 49 -6.238 -6.836 4.044 1.00 0.00 C ATOM 758 CE LYS A 49 -7.009 -6.156 5.165 1.00 0.00 C ATOM 759 NZ LYS A 49 -6.668 -6.725 6.498 1.00 0.00 N ATOM 0 H LYS A 49 -7.757 -6.061 0.212 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.288 -4.898 0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -6.607 -7.471 1.412 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.891 -7.299 1.725 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.339 -5.200 2.986 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -7.054 -5.390 2.685 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -6.738 -7.765 3.769 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.241 -7.103 4.396 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -6.791 -5.088 5.160 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -8.079 -6.264 4.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -7.531 -7.086 6.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -5.988 -7.503 6.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -6.246 -5.984 7.094 1.00 0.00 H new ATOM 773 N PHE A 50 -5.033 -7.710 -1.147 1.00 0.00 N ATOM 774 CA PHE A 50 -4.176 -8.434 -2.078 1.00 0.00 C ATOM 775 C PHE A 50 -3.816 -7.561 -3.277 1.00 0.00 C ATOM 776 O PHE A 50 -2.650 -7.466 -3.661 1.00 0.00 O ATOM 777 CB PHE A 50 -4.869 -9.713 -2.553 1.00 0.00 C ATOM 778 CG PHE A 50 -3.920 -10.739 -3.105 1.00 0.00 C ATOM 779 CD1 PHE A 50 -3.152 -11.519 -2.256 1.00 0.00 C ATOM 780 CD2 PHE A 50 -3.797 -10.922 -4.473 1.00 0.00 C ATOM 781 CE1 PHE A 50 -2.278 -12.463 -2.762 1.00 0.00 C ATOM 782 CE2 PHE A 50 -2.925 -11.865 -4.984 1.00 0.00 C ATOM 783 CZ PHE A 50 -2.166 -12.637 -4.127 1.00 0.00 C ATOM 0 H PHE A 50 -5.906 -8.186 -0.920 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.257 -8.700 -1.556 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -5.419 -10.150 -1.720 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -5.601 -9.457 -3.319 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.237 -11.388 -1.187 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -4.389 -10.321 -5.147 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -1.683 -13.064 -2.090 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.837 -11.998 -6.052 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.486 -13.376 -4.524 1.00 0.00 H new ATOM 793 N SER A 51 -4.826 -6.927 -3.864 1.00 0.00 N ATOM 794 CA SER A 51 -4.617 -6.066 -5.022 1.00 0.00 C ATOM 795 C SER A 51 -3.536 -5.027 -4.739 1.00 0.00 C ATOM 796 O SER A 51 -2.615 -4.844 -5.534 1.00 0.00 O ATOM 797 CB SER A 51 -5.923 -5.368 -5.406 1.00 0.00 C ATOM 798 OG SER A 51 -5.712 -4.427 -6.445 1.00 0.00 O ATOM 0 H SER A 51 -5.796 -6.993 -3.557 1.00 0.00 H new ATOM 0 HA SER A 51 -4.288 -6.690 -5.853 1.00 0.00 H new ATOM 0 HB2 SER A 51 -6.655 -6.110 -5.726 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.340 -4.864 -4.534 1.00 0.00 H new ATOM 0 HG SER A 51 -6.562 -3.996 -6.673 1.00 0.00 H new ATOM 804 N GLN A 52 -3.657 -4.352 -3.601 1.00 0.00 N ATOM 805 CA GLN A 52 -2.691 -3.331 -3.214 1.00 0.00 C ATOM 806 C GLN A 52 -1.308 -3.940 -3.009 1.00 0.00 C ATOM 807 O GLN A 52 -0.292 -3.321 -3.328 1.00 0.00 O ATOM 808 CB GLN A 52 -3.146 -2.628 -1.933 1.00 0.00 C ATOM 809 CG GLN A 52 -4.198 -1.557 -2.168 1.00 0.00 C ATOM 810 CD GLN A 52 -3.603 -0.253 -2.663 1.00 0.00 C ATOM 811 OE1 GLN A 52 -2.715 0.318 -2.029 1.00 0.00 O ATOM 812 NE2 GLN A 52 -4.090 0.225 -3.802 1.00 0.00 N ATOM 0 H GLN A 52 -4.413 -4.493 -2.931 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.630 -2.600 -4.020 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -3.544 -3.371 -1.242 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.280 -2.175 -1.450 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.924 -1.920 -2.895 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.740 -1.376 -1.240 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.826 -0.281 -4.294 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.728 1.099 -4.185 1.00 0.00 H new ATOM 821 N LEU A 53 -1.275 -5.156 -2.476 1.00 0.00 N ATOM 822 CA LEU A 53 -0.016 -5.850 -2.228 1.00 0.00 C ATOM 823 C LEU A 53 0.751 -6.066 -3.529 1.00 0.00 C ATOM 824 O LEU A 53 1.874 -5.586 -3.686 1.00 0.00 O ATOM 825 CB LEU A 53 -0.277 -7.195 -1.548 1.00 0.00 C ATOM 826 CG LEU A 53 -0.767 -7.131 -0.101 1.00 0.00 C ATOM 827 CD1 LEU A 53 -1.092 -8.524 0.415 1.00 0.00 C ATOM 828 CD2 LEU A 53 0.274 -6.462 0.785 1.00 0.00 C ATOM 0 H LEU A 53 -2.106 -5.682 -2.207 1.00 0.00 H new ATOM 0 HA LEU A 53 0.589 -5.228 -1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.015 -7.740 -2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.644 -7.777 -1.573 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.678 -6.534 -0.072 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.439 -8.458 1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.872 -8.968 -0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.198 -9.146 0.372 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.091 -6.425 1.811 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.202 -7.033 0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.458 -5.448 0.429 1.00 0.00 H new ATOM 840 N ALA A 54 0.137 -6.789 -4.460 1.00 0.00 N ATOM 841 CA ALA A 54 0.760 -7.064 -5.748 1.00 0.00 C ATOM 842 C ALA A 54 1.266 -5.781 -6.399 1.00 0.00 C ATOM 843 O ALA A 54 2.439 -5.675 -6.754 1.00 0.00 O ATOM 844 CB ALA A 54 -0.222 -7.774 -6.668 1.00 0.00 C ATOM 0 H ALA A 54 -0.792 -7.195 -4.346 1.00 0.00 H new ATOM 0 HA ALA A 54 1.617 -7.715 -5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.257 -7.973 -7.627 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.531 -8.716 -6.214 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.097 -7.142 -6.824 1.00 0.00 H new ATOM 850 N GLU A 55 0.372 -4.809 -6.553 1.00 0.00 N ATOM 851 CA GLU A 55 0.729 -3.533 -7.163 1.00 0.00 C ATOM 852 C GLU A 55 1.920 -2.903 -6.448 1.00 0.00 C ATOM 853 O GLU A 55 2.788 -2.299 -7.078 1.00 0.00 O ATOM 854 CB GLU A 55 -0.464 -2.576 -7.131 1.00 0.00 C ATOM 855 CG GLU A 55 -0.132 -1.173 -7.611 1.00 0.00 C ATOM 856 CD GLU A 55 -0.149 -1.056 -9.123 1.00 0.00 C ATOM 857 OE1 GLU A 55 0.777 -1.589 -9.770 1.00 0.00 O ATOM 858 OE2 GLU A 55 -1.088 -0.431 -9.659 1.00 0.00 O ATOM 0 H GLU A 55 -0.604 -4.881 -6.264 1.00 0.00 H new ATOM 0 HA GLU A 55 1.007 -3.720 -8.200 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.263 -2.983 -7.751 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.848 -2.521 -6.112 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.848 -0.469 -7.187 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.852 -0.889 -7.239 1.00 0.00 H new ATOM 865 N ALA A 56 1.954 -3.047 -5.127 1.00 0.00 N ATOM 866 CA ALA A 56 3.039 -2.493 -4.326 1.00 0.00 C ATOM 867 C ALA A 56 4.372 -3.138 -4.686 1.00 0.00 C ATOM 868 O ALA A 56 5.353 -2.447 -4.964 1.00 0.00 O ATOM 869 CB ALA A 56 2.746 -2.675 -2.844 1.00 0.00 C ATOM 0 H ALA A 56 1.243 -3.542 -4.589 1.00 0.00 H new ATOM 0 HA ALA A 56 3.111 -1.427 -4.544 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.564 -2.257 -2.257 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.818 -2.161 -2.591 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.645 -3.737 -2.621 1.00 0.00 H new ATOM 875 N TYR A 57 4.403 -4.466 -4.679 1.00 0.00 N ATOM 876 CA TYR A 57 5.617 -5.205 -5.003 1.00 0.00 C ATOM 877 C TYR A 57 6.074 -4.905 -6.427 1.00 0.00 C ATOM 878 O TYR A 57 7.258 -4.678 -6.676 1.00 0.00 O ATOM 879 CB TYR A 57 5.386 -6.708 -4.835 1.00 0.00 C ATOM 880 CG TYR A 57 6.491 -7.559 -5.417 1.00 0.00 C ATOM 881 CD1 TYR A 57 7.597 -7.914 -4.653 1.00 0.00 C ATOM 882 CD2 TYR A 57 6.430 -8.010 -6.730 1.00 0.00 C ATOM 883 CE1 TYR A 57 8.609 -8.692 -5.181 1.00 0.00 C ATOM 884 CE2 TYR A 57 7.438 -8.789 -7.265 1.00 0.00 C ATOM 885 CZ TYR A 57 8.525 -9.127 -6.487 1.00 0.00 C ATOM 886 OH TYR A 57 9.531 -9.902 -7.016 1.00 0.00 O ATOM 0 H TYR A 57 3.600 -5.053 -4.452 1.00 0.00 H new ATOM 0 HA TYR A 57 6.400 -4.886 -4.315 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.285 -6.935 -3.774 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.443 -6.977 -5.310 1.00 0.00 H new ATOM 0 HD1 TYR A 57 7.666 -7.576 -3.630 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.580 -7.747 -7.343 1.00 0.00 H new ATOM 0 HE1 TYR A 57 9.462 -8.958 -4.574 1.00 0.00 H new ATOM 0 HE2 TYR A 57 7.375 -9.131 -8.287 1.00 0.00 H new ATOM 0 HH TYR A 57 9.318 -10.125 -7.946 1.00 0.00 H new ATOM 896 N GLU A 58 5.126 -4.907 -7.359 1.00 0.00 N ATOM 897 CA GLU A 58 5.430 -4.636 -8.758 1.00 0.00 C ATOM 898 C GLU A 58 6.281 -3.376 -8.896 1.00 0.00 C ATOM 899 O GLU A 58 7.229 -3.336 -9.680 1.00 0.00 O ATOM 900 CB GLU A 58 4.138 -4.482 -9.564 1.00 0.00 C ATOM 901 CG GLU A 58 4.367 -4.064 -11.007 1.00 0.00 C ATOM 902 CD GLU A 58 3.208 -3.267 -11.574 1.00 0.00 C ATOM 903 OE1 GLU A 58 2.153 -3.872 -11.858 1.00 0.00 O ATOM 904 OE2 GLU A 58 3.356 -2.037 -11.732 1.00 0.00 O ATOM 0 H GLU A 58 4.141 -5.093 -7.170 1.00 0.00 H new ATOM 0 HA GLU A 58 5.996 -5.481 -9.150 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.596 -5.428 -9.550 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.502 -3.743 -9.077 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.278 -3.468 -11.069 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.526 -4.953 -11.618 1.00 0.00 H new ATOM 911 N VAL A 59 5.934 -2.348 -8.128 1.00 0.00 N ATOM 912 CA VAL A 59 6.665 -1.087 -8.162 1.00 0.00 C ATOM 913 C VAL A 59 8.034 -1.227 -7.507 1.00 0.00 C ATOM 914 O VAL A 59 9.066 -1.048 -8.155 1.00 0.00 O ATOM 915 CB VAL A 59 5.882 0.035 -7.456 1.00 0.00 C ATOM 916 CG1 VAL A 59 6.723 1.299 -7.366 1.00 0.00 C ATOM 917 CG2 VAL A 59 4.572 0.307 -8.179 1.00 0.00 C ATOM 0 H VAL A 59 5.151 -2.364 -7.475 1.00 0.00 H new ATOM 0 HA VAL A 59 6.794 -0.824 -9.212 1.00 0.00 H new ATOM 0 HB VAL A 59 5.650 -0.291 -6.442 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.153 2.081 -6.864 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.631 1.092 -6.800 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.989 1.631 -8.369 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.032 1.103 -7.666 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.779 0.612 -9.205 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.965 -0.598 -8.185 1.00 0.00 H new ATOM 927 N LEU A 60 8.037 -1.549 -6.218 1.00 0.00 N ATOM 928 CA LEU A 60 9.280 -1.714 -5.473 1.00 0.00 C ATOM 929 C LEU A 60 10.213 -2.691 -6.182 1.00 0.00 C ATOM 930 O LEU A 60 11.317 -2.327 -6.587 1.00 0.00 O ATOM 931 CB LEU A 60 8.986 -2.209 -4.056 1.00 0.00 C ATOM 932 CG LEU A 60 8.047 -1.338 -3.222 1.00 0.00 C ATOM 933 CD1 LEU A 60 7.673 -2.043 -1.927 1.00 0.00 C ATOM 934 CD2 LEU A 60 8.688 0.011 -2.930 1.00 0.00 C ATOM 0 H LEU A 60 7.192 -1.701 -5.667 1.00 0.00 H new ATOM 0 HA LEU A 60 9.774 -0.744 -5.417 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.557 -3.209 -4.124 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.932 -2.303 -3.522 1.00 0.00 H new ATOM 0 HG LEU A 60 7.136 -1.169 -3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.004 -1.407 -1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.172 -2.983 -2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.575 -2.244 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.005 0.617 -2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.615 -0.139 -2.377 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.904 0.522 -3.868 1.00 0.00 H new ATOM 946 N SER A 61 9.762 -3.932 -6.330 1.00 0.00 N ATOM 947 CA SER A 61 10.557 -4.962 -6.988 1.00 0.00 C ATOM 948 C SER A 61 11.330 -4.380 -8.168 1.00 0.00 C ATOM 949 O SER A 61 12.533 -4.601 -8.306 1.00 0.00 O ATOM 950 CB SER A 61 9.658 -6.103 -7.466 1.00 0.00 C ATOM 951 OG SER A 61 8.890 -5.711 -8.591 1.00 0.00 O ATOM 0 H SER A 61 8.849 -4.249 -6.003 1.00 0.00 H new ATOM 0 HA SER A 61 11.272 -5.352 -6.264 1.00 0.00 H new ATOM 0 HB2 SER A 61 10.269 -6.968 -7.723 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.994 -6.410 -6.658 1.00 0.00 H new ATOM 0 HG SER A 61 8.080 -5.249 -8.289 1.00 0.00 H new ATOM 957 N ASP A 62 10.629 -3.635 -9.016 1.00 0.00 N ATOM 958 CA ASP A 62 11.247 -3.019 -10.184 1.00 0.00 C ATOM 959 C ASP A 62 12.070 -1.798 -9.784 1.00 0.00 C ATOM 960 O ASP A 62 11.644 -0.997 -8.953 1.00 0.00 O ATOM 961 CB ASP A 62 10.178 -2.617 -11.202 1.00 0.00 C ATOM 962 CG ASP A 62 10.698 -2.638 -12.626 1.00 0.00 C ATOM 963 OD1 ASP A 62 11.203 -3.695 -13.059 1.00 0.00 O ATOM 964 OD2 ASP A 62 10.599 -1.596 -13.308 1.00 0.00 O ATOM 0 H ASP A 62 9.632 -3.443 -8.916 1.00 0.00 H new ATOM 0 HA ASP A 62 11.914 -3.751 -10.639 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.328 -3.294 -11.119 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.813 -1.617 -10.966 1.00 0.00 H new ATOM 969 N GLU A 63 13.251 -1.665 -10.380 1.00 0.00 N ATOM 970 CA GLU A 63 14.134 -0.543 -10.083 1.00 0.00 C ATOM 971 C GLU A 63 13.594 0.749 -10.690 1.00 0.00 C ATOM 972 O GLU A 63 13.588 1.796 -10.044 1.00 0.00 O ATOM 973 CB GLU A 63 15.542 -0.820 -10.613 1.00 0.00 C ATOM 974 CG GLU A 63 15.600 -1.008 -12.120 1.00 0.00 C ATOM 975 CD GLU A 63 17.010 -1.246 -12.624 1.00 0.00 C ATOM 976 OE1 GLU A 63 17.718 -0.254 -12.895 1.00 0.00 O ATOM 977 OE2 GLU A 63 17.405 -2.424 -12.749 1.00 0.00 O ATOM 0 H GLU A 63 13.618 -2.320 -11.071 1.00 0.00 H new ATOM 0 HA GLU A 63 14.178 -0.424 -9.000 1.00 0.00 H new ATOM 0 HB2 GLU A 63 16.195 0.006 -10.333 1.00 0.00 H new ATOM 0 HB3 GLU A 63 15.934 -1.714 -10.129 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.970 -1.852 -12.402 1.00 0.00 H new ATOM 0 HG3 GLU A 63 15.188 -0.125 -12.609 1.00 0.00 H new ATOM 984 N VAL A 64 13.143 0.666 -11.938 1.00 0.00 N ATOM 985 CA VAL A 64 12.601 1.827 -12.634 1.00 0.00 C ATOM 986 C VAL A 64 11.384 2.386 -11.905 1.00 0.00 C ATOM 987 O VAL A 64 11.288 3.590 -11.666 1.00 0.00 O ATOM 988 CB VAL A 64 12.205 1.480 -14.081 1.00 0.00 C ATOM 989 CG1 VAL A 64 11.422 2.623 -14.709 1.00 0.00 C ATOM 990 CG2 VAL A 64 13.439 1.151 -14.907 1.00 0.00 C ATOM 0 H VAL A 64 13.142 -0.193 -12.488 1.00 0.00 H new ATOM 0 HA VAL A 64 13.388 2.581 -12.652 1.00 0.00 H new ATOM 0 HB VAL A 64 11.563 0.599 -14.062 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.151 2.360 -15.731 1.00 0.00 H new ATOM 0 HG12 VAL A 64 10.517 2.806 -14.129 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.036 3.524 -14.717 1.00 0.00 H new ATOM 0 HG21 VAL A 64 13.140 0.908 -15.927 1.00 0.00 H new ATOM 0 HG22 VAL A 64 14.108 2.011 -14.920 1.00 0.00 H new ATOM 0 HG23 VAL A 64 13.954 0.297 -14.467 1.00 0.00 H new ATOM 1000 N LYS A 65 10.455 1.503 -11.554 1.00 0.00 N ATOM 1001 CA LYS A 65 9.243 1.906 -10.851 1.00 0.00 C ATOM 1002 C LYS A 65 9.576 2.464 -9.470 1.00 0.00 C ATOM 1003 O LYS A 65 9.102 3.536 -9.094 1.00 0.00 O ATOM 1004 CB LYS A 65 8.288 0.718 -10.715 1.00 0.00 C ATOM 1005 CG LYS A 65 7.869 0.120 -12.047 1.00 0.00 C ATOM 1006 CD LYS A 65 6.942 -1.069 -11.858 1.00 0.00 C ATOM 1007 CE LYS A 65 6.563 -1.698 -13.190 1.00 0.00 C ATOM 1008 NZ LYS A 65 7.527 -2.758 -13.596 1.00 0.00 N ATOM 0 H LYS A 65 10.519 0.503 -11.745 1.00 0.00 H new ATOM 0 HA LYS A 65 8.758 2.689 -11.434 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.766 -0.055 -10.113 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.398 1.038 -10.174 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.369 0.880 -12.647 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.754 -0.192 -12.601 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.428 -1.814 -11.228 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.040 -0.749 -11.336 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.563 -2.125 -13.119 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.526 -0.926 -13.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.093 -3.362 -14.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.387 -2.317 -13.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.775 -3.337 -12.768 1.00 0.00 H new ATOM 1022 N ARG A 66 10.393 1.731 -8.722 1.00 0.00 N ATOM 1023 CA ARG A 66 10.789 2.154 -7.384 1.00 0.00 C ATOM 1024 C ARG A 66 11.416 3.545 -7.416 1.00 0.00 C ATOM 1025 O ARG A 66 10.968 4.456 -6.721 1.00 0.00 O ATOM 1026 CB ARG A 66 11.774 1.152 -6.780 1.00 0.00 C ATOM 1027 CG ARG A 66 11.929 1.282 -5.273 1.00 0.00 C ATOM 1028 CD ARG A 66 13.288 0.784 -4.808 1.00 0.00 C ATOM 1029 NE ARG A 66 13.455 0.918 -3.363 1.00 0.00 N ATOM 1030 CZ ARG A 66 14.356 0.241 -2.661 1.00 0.00 C ATOM 1031 NH1 ARG A 66 15.168 -0.614 -3.268 1.00 0.00 N ATOM 1032 NH2 ARG A 66 14.447 0.418 -1.349 1.00 0.00 N ATOM 0 H ARG A 66 10.794 0.841 -9.019 1.00 0.00 H new ATOM 0 HA ARG A 66 9.894 2.193 -6.763 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.442 0.141 -7.017 1.00 0.00 H new ATOM 0 HB3 ARG A 66 12.749 1.285 -7.250 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.803 2.325 -4.982 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.143 0.715 -4.775 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.407 -0.262 -5.091 1.00 0.00 H new ATOM 0 HD3 ARG A 66 14.073 1.344 -5.317 1.00 0.00 H new ATOM 0 HE ARG A 66 12.846 1.568 -2.866 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.101 -0.753 -4.276 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.859 -1.133 -2.727 1.00 0.00 H new ATOM 0 HH21 ARG A 66 13.824 1.075 -0.879 1.00 0.00 H new ATOM 0 HH22 ARG A 66 15.140 -0.103 -0.811 1.00 0.00 H new ATOM 1046 N LYS A 67 12.456 3.700 -8.228 1.00 0.00 N ATOM 1047 CA LYS A 67 13.146 4.979 -8.353 1.00 0.00 C ATOM 1048 C LYS A 67 12.156 6.107 -8.622 1.00 0.00 C ATOM 1049 O LYS A 67 12.253 7.183 -8.032 1.00 0.00 O ATOM 1050 CB LYS A 67 14.181 4.915 -9.478 1.00 0.00 C ATOM 1051 CG LYS A 67 14.795 6.263 -9.816 1.00 0.00 C ATOM 1052 CD LYS A 67 14.004 6.981 -10.896 1.00 0.00 C ATOM 1053 CE LYS A 67 14.318 8.469 -10.921 1.00 0.00 C ATOM 1054 NZ LYS A 67 15.529 8.767 -11.735 1.00 0.00 N ATOM 0 H LYS A 67 12.840 2.955 -8.810 1.00 0.00 H new ATOM 0 HA LYS A 67 13.655 5.183 -7.411 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.975 4.225 -9.192 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.710 4.505 -10.371 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.833 6.882 -8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.823 6.122 -10.150 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.233 6.543 -11.868 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.937 6.836 -10.724 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.465 9.013 -11.326 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.469 8.826 -9.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.709 9.791 -11.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 16.348 8.268 -11.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 15.376 8.450 -12.714 1.00 0.00 H new ATOM 1068 N GLN A 68 11.203 5.853 -9.513 1.00 0.00 N ATOM 1069 CA GLN A 68 10.195 6.848 -9.859 1.00 0.00 C ATOM 1070 C GLN A 68 9.274 7.123 -8.675 1.00 0.00 C ATOM 1071 O GLN A 68 8.941 8.274 -8.389 1.00 0.00 O ATOM 1072 CB GLN A 68 9.374 6.377 -11.060 1.00 0.00 C ATOM 1073 CG GLN A 68 10.060 6.612 -12.396 1.00 0.00 C ATOM 1074 CD GLN A 68 9.079 6.706 -13.548 1.00 0.00 C ATOM 1075 OE1 GLN A 68 7.904 7.021 -13.354 1.00 0.00 O ATOM 1076 NE2 GLN A 68 9.556 6.432 -14.756 1.00 0.00 N ATOM 0 H GLN A 68 11.108 4.966 -10.008 1.00 0.00 H new ATOM 0 HA GLN A 68 10.708 7.773 -10.120 1.00 0.00 H new ATOM 0 HB2 GLN A 68 9.164 5.313 -10.951 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.414 6.893 -11.058 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.642 7.532 -12.344 1.00 0.00 H new ATOM 0 HG3 GLN A 68 10.762 5.800 -12.587 1.00 0.00 H new ATOM 0 HE21 GLN A 68 10.536 6.175 -14.871 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.942 6.478 -15.569 1.00 0.00 H new ATOM 1085 N TYR A 69 8.866 6.061 -7.990 1.00 0.00 N ATOM 1086 CA TYR A 69 7.981 6.188 -6.838 1.00 0.00 C ATOM 1087 C TYR A 69 8.714 6.810 -5.654 1.00 0.00 C ATOM 1088 O TYR A 69 8.093 7.364 -4.746 1.00 0.00 O ATOM 1089 CB TYR A 69 7.422 4.819 -6.445 1.00 0.00 C ATOM 1090 CG TYR A 69 7.080 4.705 -4.976 1.00 0.00 C ATOM 1091 CD1 TYR A 69 6.142 5.548 -4.393 1.00 0.00 C ATOM 1092 CD2 TYR A 69 7.694 3.752 -4.172 1.00 0.00 C ATOM 1093 CE1 TYR A 69 5.827 5.447 -3.052 1.00 0.00 C ATOM 1094 CE2 TYR A 69 7.384 3.643 -2.830 1.00 0.00 C ATOM 1095 CZ TYR A 69 6.450 4.493 -2.275 1.00 0.00 C ATOM 1096 OH TYR A 69 6.138 4.388 -0.939 1.00 0.00 O ATOM 0 H TYR A 69 9.134 5.102 -8.212 1.00 0.00 H new ATOM 0 HA TYR A 69 7.156 6.844 -7.116 1.00 0.00 H new ATOM 0 HB2 TYR A 69 6.528 4.618 -7.035 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.152 4.051 -6.701 1.00 0.00 H new ATOM 0 HD1 TYR A 69 5.651 6.295 -4.999 1.00 0.00 H new ATOM 0 HD2 TYR A 69 8.426 3.085 -4.604 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.097 6.112 -2.614 1.00 0.00 H new ATOM 0 HE2 TYR A 69 7.870 2.897 -2.219 1.00 0.00 H new ATOM 0 HH TYR A 69 6.800 3.820 -0.492 1.00 0.00 H new ATOM 1106 N ASP A 70 10.039 6.715 -5.671 1.00 0.00 N ATOM 1107 CA ASP A 70 10.858 7.270 -4.600 1.00 0.00 C ATOM 1108 C ASP A 70 11.132 8.752 -4.836 1.00 0.00 C ATOM 1109 O ASP A 70 11.508 9.478 -3.917 1.00 0.00 O ATOM 1110 CB ASP A 70 12.179 6.506 -4.492 1.00 0.00 C ATOM 1111 CG ASP A 70 12.061 5.266 -3.628 1.00 0.00 C ATOM 1112 OD1 ASP A 70 11.216 5.260 -2.709 1.00 0.00 O ATOM 1113 OD2 ASP A 70 12.814 4.300 -3.872 1.00 0.00 O ATOM 0 H ASP A 70 10.568 6.259 -6.414 1.00 0.00 H new ATOM 0 HA ASP A 70 10.308 7.166 -3.665 1.00 0.00 H new ATOM 0 HB2 ASP A 70 12.513 6.220 -5.489 1.00 0.00 H new ATOM 0 HB3 ASP A 70 12.943 7.163 -4.077 1.00 0.00 H new