USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 679 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 60 THR OG1 : rot -24:sc= 0.425 USER MOD Set 1.2: A 63 GLN : amide:sc= -1.87 K(o=-1.4,f=-5.5!) USER MOD Set 1.3: A 70 TYR OH : rot 180:sc= 0.0388 USER MOD Set 2.1: A 9 THR OG1 : rot 160:sc= -0.652 USER MOD Set 2.2: A 41 SER OG : rot 130:sc= -0.492 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 36:sc= 0.503 USER MOD Single : A 10 SER OG : rot 148:sc= 0.0432 USER MOD Single : A 12 THR OG1 : rot -40:sc= 0.163 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -43:sc= 1.25 USER MOD Single : A 20 GLN : amide:sc= -1.7 K(o=-1.7,f=-3.1!) USER MOD Single : A 21 GLN : amide:sc= -0.353 X(o=-0.35,f=-0.038) USER MOD Single : A 22 SER OG : rot 101:sc= 0.0393 USER MOD Single : A 25 THR OG1 : rot -109:sc= -0.114 USER MOD Single : A 31 LYS NZ :NH3+ -132:sc= -0.265 (180deg=-3.74!) USER MOD Single : A 34 GLN : amide:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 35 TYR OH : rot 150:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.5!) USER MOD Single : A 42 GLN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.0834 K(o=0.083,f=-0.77) USER MOD Single : A 50 MET CE :methyl 157:sc= -2.23 (180deg=-3.78!) USER MOD Single : A 56 ASN : amide:sc= -1.62 K(o=-1.6,f=-0.12) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.248 X(o=-0.25,f=-0.067) USER MOD Single : A 69 GLN : amide:sc= -0.25 K(o=-0.25,f=-2.6!) USER MOD Single : A 71 CYS SG : rot -102:sc= 0.00693 USER MOD Single : A 74 TYR OH : rot -140:sc= -1.33 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0.082) USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.21 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 38 N LEU A 4 10.358 0.877 -0.620 1.00 0.00 N ATOM 39 CA LEU A 4 8.966 0.700 -1.015 1.00 0.00 C ATOM 40 C LEU A 4 8.074 1.736 -0.340 1.00 0.00 C ATOM 41 O LEU A 4 8.147 1.936 0.872 1.00 0.00 O ATOM 42 CB LEU A 4 8.489 -0.711 -0.663 1.00 0.00 C ATOM 43 CG LEU A 4 7.573 -1.363 -1.700 1.00 0.00 C ATOM 44 CD1 LEU A 4 6.385 -0.464 -2.003 1.00 0.00 C ATOM 45 CD2 LEU A 4 8.347 -1.674 -2.972 1.00 0.00 C ATOM 0 HA LEU A 4 8.899 0.838 -2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.362 -1.348 -0.520 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.963 -0.673 0.291 1.00 0.00 H new ATOM 0 HG LEU A 4 7.197 -2.300 -1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 4 5.745 -0.944 -2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.817 -0.291 -1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.740 0.489 -2.395 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.680 -2.138 -3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 4 8.751 -0.751 -3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.165 -2.357 -2.742 1.00 0.00 H new ATOM 57 N ARG A 5 7.235 2.394 -1.132 1.00 0.00 N ATOM 58 CA ARG A 5 6.331 3.412 -0.608 1.00 0.00 C ATOM 59 C ARG A 5 4.909 2.874 -0.493 1.00 0.00 C ATOM 60 O ARG A 5 4.226 2.676 -1.497 1.00 0.00 O ATOM 61 CB ARG A 5 6.349 4.649 -1.507 1.00 0.00 C ATOM 62 CG ARG A 5 5.779 5.892 -0.843 1.00 0.00 C ATOM 63 CD ARG A 5 6.850 6.947 -0.617 1.00 0.00 C ATOM 64 NE ARG A 5 8.039 6.392 0.025 1.00 0.00 N ATOM 65 CZ ARG A 5 9.126 7.103 0.314 1.00 0.00 C ATOM 66 NH1 ARG A 5 9.177 8.397 0.023 1.00 0.00 N ATOM 67 NH2 ARG A 5 10.164 6.520 0.896 1.00 0.00 N ATOM 0 H ARG A 5 7.162 2.241 -2.138 1.00 0.00 H new ATOM 0 HA ARG A 5 6.675 3.688 0.389 1.00 0.00 H new ATOM 0 HB2 ARG A 5 7.375 4.850 -1.814 1.00 0.00 H new ATOM 0 HB3 ARG A 5 5.781 4.438 -2.413 1.00 0.00 H new ATOM 0 HG2 ARG A 5 4.985 6.306 -1.465 1.00 0.00 H new ATOM 0 HG3 ARG A 5 5.328 5.621 0.111 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.128 7.391 -1.573 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.445 7.748 0.001 1.00 0.00 H new ATOM 0 HE ARG A 5 8.036 5.401 0.266 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.381 8.851 -0.424 1.00 0.00 H new ATOM 0 HH12 ARG A 5 10.013 8.937 0.247 1.00 0.00 H new ATOM 0 HH21 ARG A 5 10.130 5.526 1.123 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.997 7.065 1.117 1.00 0.00 H new ATOM 81 N VAL A 6 4.469 2.643 0.739 1.00 0.00 N ATOM 82 CA VAL A 6 3.126 2.131 0.990 1.00 0.00 C ATOM 83 C VAL A 6 2.310 3.124 1.810 1.00 0.00 C ATOM 84 O VAL A 6 2.705 3.509 2.910 1.00 0.00 O ATOM 85 CB VAL A 6 3.168 0.781 1.730 1.00 0.00 C ATOM 86 CG1 VAL A 6 1.773 0.181 1.828 1.00 0.00 C ATOM 87 CG2 VAL A 6 4.121 -0.179 1.035 1.00 0.00 C ATOM 0 H VAL A 6 5.023 2.802 1.580 1.00 0.00 H new ATOM 0 HA VAL A 6 2.653 1.987 0.019 1.00 0.00 H new ATOM 0 HB VAL A 6 3.536 0.954 2.742 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.823 -0.772 2.354 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.121 0.863 2.374 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.374 0.022 0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.138 -1.127 1.572 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.786 -0.347 0.012 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.124 0.249 1.023 1.00 0.00 H new ATOM 97 N TYR A 7 1.171 3.540 1.265 1.00 0.00 N ATOM 98 CA TYR A 7 0.304 4.494 1.947 1.00 0.00 C ATOM 99 C TYR A 7 -0.654 3.786 2.897 1.00 0.00 C ATOM 100 O TYR A 7 -1.048 2.644 2.663 1.00 0.00 O ATOM 101 CB TYR A 7 -0.485 5.318 0.928 1.00 0.00 C ATOM 102 CG TYR A 7 0.309 6.452 0.319 1.00 0.00 C ATOM 103 CD1 TYR A 7 1.132 6.239 -0.780 1.00 0.00 C ATOM 104 CD2 TYR A 7 0.235 7.736 0.844 1.00 0.00 C ATOM 105 CE1 TYR A 7 1.859 7.273 -1.338 1.00 0.00 C ATOM 106 CE2 TYR A 7 0.959 8.776 0.291 1.00 0.00 C ATOM 107 CZ TYR A 7 1.768 8.539 -0.799 1.00 0.00 C ATOM 108 OH TYR A 7 2.490 9.572 -1.353 1.00 0.00 O ATOM 0 H TYR A 7 0.828 3.232 0.355 1.00 0.00 H new ATOM 0 HA TYR A 7 0.936 5.161 2.533 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.831 4.660 0.131 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.372 5.726 1.412 1.00 0.00 H new ATOM 0 HD1 TYR A 7 1.205 5.249 -1.205 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -0.398 7.925 1.698 1.00 0.00 H new ATOM 0 HE1 TYR A 7 2.495 7.091 -2.192 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.891 9.769 0.711 1.00 0.00 H new ATOM 0 HH TYR A 7 2.313 10.398 -0.856 1.00 0.00 H new ATOM 118 N SER A 8 -1.024 4.476 3.970 1.00 0.00 N ATOM 119 CA SER A 8 -1.937 3.919 4.961 1.00 0.00 C ATOM 120 C SER A 8 -2.576 5.026 5.794 1.00 0.00 C ATOM 121 O SER A 8 -2.254 6.203 5.631 1.00 0.00 O ATOM 122 CB SER A 8 -1.198 2.940 5.874 1.00 0.00 C ATOM 123 OG SER A 8 -1.273 1.617 5.372 1.00 0.00 O ATOM 0 H SER A 8 -0.705 5.423 4.176 1.00 0.00 H new ATOM 0 HA SER A 8 -2.726 3.385 4.432 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.154 3.239 5.964 1.00 0.00 H new ATOM 0 HB3 SER A 8 -1.627 2.977 6.875 1.00 0.00 H new ATOM 0 HG SER A 8 -1.237 1.636 4.393 1.00 0.00 H new ATOM 129 N THR A 9 -3.484 4.641 6.685 1.00 0.00 N ATOM 130 CA THR A 9 -4.168 5.602 7.542 1.00 0.00 C ATOM 131 C THR A 9 -4.079 5.186 9.007 1.00 0.00 C ATOM 132 O THR A 9 -4.761 4.259 9.442 1.00 0.00 O ATOM 133 CB THR A 9 -5.634 5.735 7.126 1.00 0.00 C ATOM 134 OG1 THR A 9 -6.330 6.595 8.011 1.00 0.00 O ATOM 135 CG2 THR A 9 -6.369 4.413 7.097 1.00 0.00 C ATOM 0 H THR A 9 -3.763 3.671 6.832 1.00 0.00 H new ATOM 0 HA THR A 9 -3.676 6.568 7.427 1.00 0.00 H new ATOM 0 HB THR A 9 -5.612 6.143 6.115 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.144 6.924 7.575 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.403 4.578 6.794 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.885 3.743 6.386 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.349 3.964 8.090 1.00 0.00 H new ATOM 143 N SER A 10 -3.232 5.878 9.762 1.00 0.00 N ATOM 144 CA SER A 10 -3.053 5.580 11.179 1.00 0.00 C ATOM 145 C SER A 10 -4.326 5.878 11.964 1.00 0.00 C ATOM 146 O SER A 10 -4.757 5.077 12.793 1.00 0.00 O ATOM 147 CB SER A 10 -1.888 6.392 11.747 1.00 0.00 C ATOM 148 OG SER A 10 -0.878 6.588 10.773 1.00 0.00 O ATOM 0 H SER A 10 -2.659 6.648 9.417 1.00 0.00 H new ATOM 0 HA SER A 10 -2.830 4.518 11.276 1.00 0.00 H new ATOM 0 HB2 SER A 10 -2.251 7.358 12.098 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.469 5.876 12.611 1.00 0.00 H new ATOM 0 HG SER A 10 -0.446 7.455 10.920 1.00 0.00 H new ATOM 154 N VAL A 11 -4.924 7.035 11.697 1.00 0.00 N ATOM 155 CA VAL A 11 -6.147 7.438 12.380 1.00 0.00 C ATOM 156 C VAL A 11 -7.360 6.707 11.813 1.00 0.00 C ATOM 157 O VAL A 11 -8.329 6.447 12.526 1.00 0.00 O ATOM 158 CB VAL A 11 -6.379 8.957 12.268 1.00 0.00 C ATOM 159 CG1 VAL A 11 -7.551 9.386 13.137 1.00 0.00 C ATOM 160 CG2 VAL A 11 -5.118 9.718 12.648 1.00 0.00 C ATOM 0 H VAL A 11 -4.581 7.709 11.013 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.024 7.173 13.430 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.621 9.193 11.232 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.698 10.462 13.044 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.453 8.867 12.813 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.343 9.137 14.178 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.300 10.789 12.563 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.843 9.477 13.675 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.306 9.434 11.979 1.00 0.00 H new ATOM 170 N THR A 12 -7.300 6.378 10.527 1.00 0.00 N ATOM 171 CA THR A 12 -8.394 5.676 9.865 1.00 0.00 C ATOM 172 C THR A 12 -9.672 6.508 9.897 1.00 0.00 C ATOM 173 O THR A 12 -9.843 7.369 10.759 1.00 0.00 O ATOM 174 CB THR A 12 -8.638 4.322 10.533 1.00 0.00 C ATOM 175 OG1 THR A 12 -7.420 3.766 10.997 1.00 0.00 O ATOM 176 CG2 THR A 12 -9.284 3.309 9.613 1.00 0.00 C ATOM 0 H THR A 12 -6.505 6.586 9.922 1.00 0.00 H new ATOM 0 HA THR A 12 -8.112 5.515 8.825 1.00 0.00 H new ATOM 0 HB THR A 12 -9.320 4.525 11.359 1.00 0.00 H new ATOM 0 HG1 THR A 12 -6.715 3.924 10.335 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.429 2.371 10.149 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.249 3.687 9.276 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.640 3.138 8.750 1.00 0.00 H new ATOM 184 N GLY A 13 -10.567 6.244 8.950 1.00 0.00 N ATOM 185 CA GLY A 13 -11.819 6.976 8.888 1.00 0.00 C ATOM 186 C GLY A 13 -13.002 6.078 8.585 1.00 0.00 C ATOM 187 O GLY A 13 -13.977 6.510 7.971 1.00 0.00 O ATOM 0 H GLY A 13 -10.448 5.537 8.225 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.986 7.484 9.838 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.747 7.748 8.122 1.00 0.00 H new ATOM 191 N SER A 14 -12.915 4.824 9.017 1.00 0.00 N ATOM 192 CA SER A 14 -13.986 3.861 8.789 1.00 0.00 C ATOM 193 C SER A 14 -13.796 2.621 9.657 1.00 0.00 C ATOM 194 O SER A 14 -12.968 2.610 10.567 1.00 0.00 O ATOM 195 CB SER A 14 -14.037 3.464 7.313 1.00 0.00 C ATOM 196 OG SER A 14 -15.375 3.355 6.859 1.00 0.00 O ATOM 0 H SER A 14 -12.114 4.451 9.527 1.00 0.00 H new ATOM 0 HA SER A 14 -14.930 4.332 9.063 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.506 4.205 6.715 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.523 2.513 7.171 1.00 0.00 H new ATOM 0 HG SER A 14 -15.380 3.102 5.912 1.00 0.00 H new ATOM 202 N ARG A 15 -14.570 1.578 9.370 1.00 0.00 N ATOM 203 CA ARG A 15 -14.485 0.331 10.127 1.00 0.00 C ATOM 204 C ARG A 15 -13.919 -0.798 9.284 1.00 0.00 C ATOM 205 O ARG A 15 -13.523 -1.845 9.796 1.00 0.00 O ATOM 206 CB ARG A 15 -15.861 -0.058 10.658 1.00 0.00 C ATOM 207 CG ARG A 15 -15.815 -1.058 11.803 1.00 0.00 C ATOM 208 CD ARG A 15 -16.653 -0.594 12.984 1.00 0.00 C ATOM 209 NE ARG A 15 -16.118 0.623 13.590 1.00 0.00 N ATOM 210 CZ ARG A 15 -16.824 1.431 14.378 1.00 0.00 C ATOM 211 NH1 ARG A 15 -18.091 1.155 14.660 1.00 0.00 N ATOM 212 NH2 ARG A 15 -16.260 2.518 14.887 1.00 0.00 N ATOM 0 H ARG A 15 -15.262 1.571 8.621 1.00 0.00 H new ATOM 0 HA ARG A 15 -13.807 0.499 10.964 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.379 0.841 10.993 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -16.449 -0.479 9.843 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -16.177 -2.026 11.457 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -14.782 -1.200 12.122 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -17.676 -0.415 12.654 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -16.693 -1.385 13.733 1.00 0.00 H new ATOM 0 HE ARG A 15 -15.147 0.868 13.398 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -18.529 0.320 14.272 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -18.626 1.778 15.264 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -15.286 2.734 14.675 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -16.800 3.138 15.491 1.00 0.00 H new ATOM 226 N GLU A 16 -13.886 -0.562 7.997 1.00 0.00 N ATOM 227 CA GLU A 16 -13.368 -1.532 7.039 1.00 0.00 C ATOM 228 C GLU A 16 -11.944 -1.175 6.633 1.00 0.00 C ATOM 229 O GLU A 16 -11.120 -2.053 6.377 1.00 0.00 O ATOM 230 CB GLU A 16 -14.267 -1.591 5.802 1.00 0.00 C ATOM 231 CG GLU A 16 -15.553 -2.370 6.022 1.00 0.00 C ATOM 232 CD GLU A 16 -16.758 -1.467 6.199 1.00 0.00 C ATOM 233 OE1 GLU A 16 -16.864 -0.819 7.261 1.00 0.00 O ATOM 234 OE2 GLU A 16 -17.597 -1.408 5.275 1.00 0.00 O ATOM 0 H GLU A 16 -14.215 0.306 7.574 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.359 -2.513 7.515 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.515 -0.575 5.495 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.712 -2.046 4.981 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -15.722 -3.033 5.173 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.444 -3.002 6.903 1.00 0.00 H new ATOM 241 N ILE A 17 -11.663 0.123 6.578 1.00 0.00 N ATOM 242 CA ILE A 17 -10.340 0.607 6.205 1.00 0.00 C ATOM 243 C ILE A 17 -9.270 0.052 7.142 1.00 0.00 C ATOM 244 O ILE A 17 -8.126 -0.158 6.739 1.00 0.00 O ATOM 245 CB ILE A 17 -10.285 2.148 6.225 1.00 0.00 C ATOM 246 CG1 ILE A 17 -11.361 2.729 5.306 1.00 0.00 C ATOM 247 CG2 ILE A 17 -8.906 2.641 5.809 1.00 0.00 C ATOM 248 CD1 ILE A 17 -11.414 4.241 5.319 1.00 0.00 C ATOM 0 H ILE A 17 -12.336 0.860 6.788 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.143 0.258 5.191 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.476 2.487 7.243 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.179 2.389 4.287 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.333 2.337 5.605 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.888 3.731 5.829 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.157 2.252 6.499 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.684 2.293 4.800 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.199 4.583 4.645 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.626 4.589 6.330 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.455 4.642 4.991 1.00 0.00 H new ATOM 260 N LYS A 18 -9.651 -0.183 8.393 1.00 0.00 N ATOM 261 CA LYS A 18 -8.725 -0.715 9.386 1.00 0.00 C ATOM 262 C LYS A 18 -8.305 -2.138 9.031 1.00 0.00 C ATOM 263 O LYS A 18 -7.200 -2.570 9.357 1.00 0.00 O ATOM 264 CB LYS A 18 -9.364 -0.692 10.776 1.00 0.00 C ATOM 265 CG LYS A 18 -9.931 0.665 11.162 1.00 0.00 C ATOM 266 CD LYS A 18 -11.036 0.532 12.198 1.00 0.00 C ATOM 267 CE LYS A 18 -11.126 1.770 13.076 1.00 0.00 C ATOM 268 NZ LYS A 18 -12.114 1.598 14.177 1.00 0.00 N ATOM 0 H LYS A 18 -10.594 -0.014 8.743 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.837 -0.083 9.392 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.162 -1.434 10.812 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -8.619 -0.989 11.514 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.134 1.295 11.557 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.321 1.164 10.275 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.990 0.370 11.696 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -10.850 -0.344 12.820 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.145 1.988 13.499 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.408 2.628 12.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.146 2.463 14.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.055 1.416 13.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.832 0.795 14.774 1.00 0.00 H new ATOM 282 N SER A 19 -9.196 -2.863 8.361 1.00 0.00 N ATOM 283 CA SER A 19 -8.918 -4.238 7.961 1.00 0.00 C ATOM 284 C SER A 19 -8.045 -4.277 6.711 1.00 0.00 C ATOM 285 O SER A 19 -7.259 -5.205 6.520 1.00 0.00 O ATOM 286 CB SER A 19 -10.225 -4.991 7.708 1.00 0.00 C ATOM 287 OG SER A 19 -10.748 -4.689 6.426 1.00 0.00 O ATOM 0 H SER A 19 -10.116 -2.521 8.084 1.00 0.00 H new ATOM 0 HA SER A 19 -8.378 -4.724 8.774 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.052 -6.064 7.790 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.955 -4.727 8.473 1.00 0.00 H new ATOM 0 HG SER A 19 -10.667 -3.727 6.258 1.00 0.00 H new ATOM 293 N GLN A 20 -8.189 -3.265 5.861 1.00 0.00 N ATOM 294 CA GLN A 20 -7.412 -3.187 4.629 1.00 0.00 C ATOM 295 C GLN A 20 -5.926 -3.035 4.932 1.00 0.00 C ATOM 296 O GLN A 20 -5.111 -3.865 4.528 1.00 0.00 O ATOM 297 CB GLN A 20 -7.891 -2.013 3.770 1.00 0.00 C ATOM 298 CG GLN A 20 -9.405 -1.902 3.675 1.00 0.00 C ATOM 299 CD GLN A 20 -10.065 -3.209 3.280 1.00 0.00 C ATOM 300 OE1 GLN A 20 -9.440 -4.073 2.665 1.00 0.00 O ATOM 301 NE2 GLN A 20 -11.337 -3.359 3.632 1.00 0.00 N ATOM 0 H GLN A 20 -8.835 -2.489 6.002 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.560 -4.116 4.078 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -7.493 -1.086 4.183 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.480 -2.117 2.766 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.802 -1.575 4.636 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -9.664 -1.134 2.946 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.816 -2.616 4.141 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.835 -4.217 3.393 1.00 0.00 H new ATOM 310 N GLN A 21 -5.579 -1.969 5.646 1.00 0.00 N ATOM 311 CA GLN A 21 -4.190 -1.707 6.004 1.00 0.00 C ATOM 312 C GLN A 21 -3.614 -2.857 6.824 1.00 0.00 C ATOM 313 O GLN A 21 -2.419 -3.144 6.755 1.00 0.00 O ATOM 314 CB GLN A 21 -4.082 -0.400 6.791 1.00 0.00 C ATOM 315 CG GLN A 21 -5.059 -0.307 7.952 1.00 0.00 C ATOM 316 CD GLN A 21 -4.452 0.357 9.173 1.00 0.00 C ATOM 317 OE1 GLN A 21 -3.506 -0.158 9.768 1.00 0.00 O ATOM 318 NE2 GLN A 21 -4.997 1.507 9.553 1.00 0.00 N ATOM 0 H GLN A 21 -6.241 -1.272 5.988 1.00 0.00 H new ATOM 0 HA GLN A 21 -3.614 -1.617 5.083 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.066 -0.298 7.173 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -4.254 0.437 6.114 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.939 0.254 7.638 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.398 -1.308 8.218 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -5.781 1.898 9.030 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.632 2.000 10.368 1.00 0.00 H new ATOM 327 N SER A 22 -4.472 -3.512 7.600 1.00 0.00 N ATOM 328 CA SER A 22 -4.048 -4.631 8.433 1.00 0.00 C ATOM 329 C SER A 22 -3.708 -5.848 7.578 1.00 0.00 C ATOM 330 O SER A 22 -2.705 -6.522 7.812 1.00 0.00 O ATOM 331 CB SER A 22 -5.145 -4.990 9.437 1.00 0.00 C ATOM 332 OG SER A 22 -4.974 -4.284 10.654 1.00 0.00 O ATOM 0 H SER A 22 -5.464 -3.287 7.669 1.00 0.00 H new ATOM 0 HA SER A 22 -3.152 -4.329 8.976 1.00 0.00 H new ATOM 0 HB2 SER A 22 -6.121 -4.757 9.012 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.129 -6.063 9.630 1.00 0.00 H new ATOM 0 HG SER A 22 -5.588 -3.521 10.679 1.00 0.00 H new ATOM 338 N GLU A 23 -4.551 -6.123 6.588 1.00 0.00 N ATOM 339 CA GLU A 23 -4.341 -7.259 5.698 1.00 0.00 C ATOM 340 C GLU A 23 -3.008 -7.138 4.966 1.00 0.00 C ATOM 341 O GLU A 23 -2.188 -8.056 4.994 1.00 0.00 O ATOM 342 CB GLU A 23 -5.485 -7.358 4.686 1.00 0.00 C ATOM 343 CG GLU A 23 -5.890 -8.788 4.365 1.00 0.00 C ATOM 344 CD GLU A 23 -7.393 -8.961 4.275 1.00 0.00 C ATOM 345 OE1 GLU A 23 -8.105 -8.441 5.160 1.00 0.00 O ATOM 346 OE2 GLU A 23 -7.859 -9.616 3.319 1.00 0.00 O ATOM 0 H GLU A 23 -5.386 -5.575 6.382 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.321 -8.165 6.304 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.351 -6.822 5.075 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.188 -6.857 3.764 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.436 -9.087 3.420 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.496 -9.454 5.133 1.00 0.00 H new ATOM 353 N VAL A 24 -2.798 -6.001 4.313 1.00 0.00 N ATOM 354 CA VAL A 24 -1.565 -5.761 3.574 1.00 0.00 C ATOM 355 C VAL A 24 -0.353 -5.809 4.499 1.00 0.00 C ATOM 356 O VAL A 24 0.649 -6.456 4.192 1.00 0.00 O ATOM 357 CB VAL A 24 -1.594 -4.398 2.857 1.00 0.00 C ATOM 358 CG1 VAL A 24 -0.394 -4.253 1.934 1.00 0.00 C ATOM 359 CG2 VAL A 24 -2.893 -4.229 2.084 1.00 0.00 C ATOM 0 H VAL A 24 -3.466 -5.231 4.280 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.484 -6.553 2.829 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.540 -3.612 3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.432 -3.284 1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.524 -4.326 2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.412 -5.046 1.186 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.896 -3.260 1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.980 -5.021 1.341 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.736 -4.284 2.773 1.00 0.00 H new ATOM 369 N THR A 25 -0.451 -5.120 5.631 1.00 0.00 N ATOM 370 CA THR A 25 0.638 -5.085 6.601 1.00 0.00 C ATOM 371 C THR A 25 0.949 -6.484 7.122 1.00 0.00 C ATOM 372 O THR A 25 2.101 -6.807 7.412 1.00 0.00 O ATOM 373 CB THR A 25 0.281 -4.161 7.766 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.994 -4.486 8.291 1.00 0.00 O ATOM 375 CG2 THR A 25 0.260 -2.697 7.385 1.00 0.00 C ATOM 0 H THR A 25 -1.273 -4.579 5.899 1.00 0.00 H new ATOM 0 HA THR A 25 1.526 -4.699 6.099 1.00 0.00 H new ATOM 0 HB THR A 25 1.065 -4.315 8.507 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.634 -3.783 8.054 1.00 0.00 H new ATOM 0 HG21 THR A 25 -0.000 -2.098 8.257 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.244 -2.401 7.022 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.479 -2.536 6.601 1.00 0.00 H new ATOM 383 N ARG A 26 -0.085 -7.311 7.239 1.00 0.00 N ATOM 384 CA ARG A 26 0.080 -8.675 7.726 1.00 0.00 C ATOM 385 C ARG A 26 1.036 -9.461 6.834 1.00 0.00 C ATOM 386 O ARG A 26 2.037 -10.001 7.303 1.00 0.00 O ATOM 387 CB ARG A 26 -1.274 -9.384 7.793 1.00 0.00 C ATOM 388 CG ARG A 26 -1.993 -9.199 9.120 1.00 0.00 C ATOM 389 CD ARG A 26 -2.650 -10.488 9.584 1.00 0.00 C ATOM 390 NE ARG A 26 -1.750 -11.299 10.401 1.00 0.00 N ATOM 391 CZ ARG A 26 -1.971 -12.576 10.703 1.00 0.00 C ATOM 392 NH1 ARG A 26 -3.060 -13.192 10.259 1.00 0.00 N ATOM 393 NH2 ARG A 26 -1.101 -13.240 11.452 1.00 0.00 N ATOM 0 H ARG A 26 -1.045 -7.060 7.003 1.00 0.00 H new ATOM 0 HA ARG A 26 0.506 -8.626 8.728 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.910 -9.012 6.990 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.126 -10.449 7.615 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.284 -8.859 9.875 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.749 -8.420 9.020 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.546 -10.252 10.158 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -2.970 -11.065 8.716 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.902 -10.860 10.761 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.733 -12.686 9.683 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.224 -14.171 10.494 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.263 -12.772 11.796 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.270 -14.219 11.684 1.00 0.00 H new ATOM 407 N ILE A 27 0.721 -9.518 5.543 1.00 0.00 N ATOM 408 CA ILE A 27 1.553 -10.236 4.586 1.00 0.00 C ATOM 409 C ILE A 27 2.927 -9.584 4.461 1.00 0.00 C ATOM 410 O ILE A 27 3.954 -10.256 4.549 1.00 0.00 O ATOM 411 CB ILE A 27 0.893 -10.290 3.194 1.00 0.00 C ATOM 412 CG1 ILE A 27 -0.543 -10.807 3.303 1.00 0.00 C ATOM 413 CG2 ILE A 27 1.706 -11.169 2.254 1.00 0.00 C ATOM 414 CD1 ILE A 27 -1.500 -10.139 2.340 1.00 0.00 C ATOM 0 H ILE A 27 -0.104 -9.076 5.137 1.00 0.00 H new ATOM 0 HA ILE A 27 1.666 -11.252 4.963 1.00 0.00 H new ATOM 0 HB ILE A 27 0.866 -9.280 2.785 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.549 -11.882 3.121 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.899 -10.654 4.322 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.226 -11.196 1.276 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.712 -10.761 2.154 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.763 -12.179 2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.499 -10.554 2.473 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.524 -9.067 2.536 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.168 -10.314 1.317 1.00 0.00 H new ATOM 426 N LEU A 28 2.935 -8.271 4.256 1.00 0.00 N ATOM 427 CA LEU A 28 4.180 -7.524 4.119 1.00 0.00 C ATOM 428 C LEU A 28 5.063 -7.706 5.351 1.00 0.00 C ATOM 429 O LEU A 28 6.187 -8.200 5.256 1.00 0.00 O ATOM 430 CB LEU A 28 3.875 -6.041 3.904 1.00 0.00 C ATOM 431 CG LEU A 28 4.442 -5.444 2.618 1.00 0.00 C ATOM 432 CD1 LEU A 28 3.991 -6.246 1.407 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.024 -3.988 2.480 1.00 0.00 C ATOM 0 H LEU A 28 2.092 -7.702 4.181 1.00 0.00 H new ATOM 0 HA LEU A 28 4.720 -7.909 3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.794 -5.905 3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.267 -5.479 4.751 1.00 0.00 H new ATOM 0 HG LEU A 28 5.530 -5.489 2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.407 -5.803 0.502 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.340 -7.274 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.903 -6.236 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.436 -3.577 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.936 -3.923 2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.400 -3.419 3.331 1.00 0.00 H new ATOM 445 N ASP A 29 4.542 -7.305 6.506 1.00 0.00 N ATOM 446 CA ASP A 29 5.276 -7.425 7.760 1.00 0.00 C ATOM 447 C ASP A 29 5.630 -8.882 8.035 1.00 0.00 C ATOM 448 O ASP A 29 6.766 -9.201 8.386 1.00 0.00 O ATOM 449 CB ASP A 29 4.451 -6.860 8.917 1.00 0.00 C ATOM 450 CG ASP A 29 5.318 -6.372 10.061 1.00 0.00 C ATOM 451 OD1 ASP A 29 5.994 -7.210 10.693 1.00 0.00 O ATOM 452 OD2 ASP A 29 5.319 -5.151 10.326 1.00 0.00 O ATOM 0 H ASP A 29 3.613 -6.894 6.599 1.00 0.00 H new ATOM 0 HA ASP A 29 6.199 -6.851 7.672 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.837 -6.036 8.553 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.770 -7.628 9.283 1.00 0.00 H new ATOM 457 N GLY A 30 4.650 -9.765 7.864 1.00 0.00 N ATOM 458 CA GLY A 30 4.881 -11.180 8.088 1.00 0.00 C ATOM 459 C GLY A 30 5.993 -11.719 7.212 1.00 0.00 C ATOM 460 O GLY A 30 6.705 -12.646 7.597 1.00 0.00 O ATOM 0 H GLY A 30 3.702 -9.526 7.575 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.133 -11.345 9.136 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.963 -11.733 7.890 1.00 0.00 H new ATOM 464 N LYS A 31 6.146 -11.126 6.032 1.00 0.00 N ATOM 465 CA LYS A 31 7.183 -11.539 5.096 1.00 0.00 C ATOM 466 C LYS A 31 8.532 -10.925 5.467 1.00 0.00 C ATOM 467 O LYS A 31 9.551 -11.225 4.845 1.00 0.00 O ATOM 468 CB LYS A 31 6.803 -11.135 3.671 1.00 0.00 C ATOM 469 CG LYS A 31 5.748 -12.032 3.045 1.00 0.00 C ATOM 470 CD LYS A 31 5.265 -11.480 1.714 1.00 0.00 C ATOM 471 CE LYS A 31 6.193 -11.877 0.576 1.00 0.00 C ATOM 472 NZ LYS A 31 6.392 -10.764 -0.393 1.00 0.00 N ATOM 0 H LYS A 31 5.563 -10.357 5.702 1.00 0.00 H new ATOM 0 HA LYS A 31 7.272 -12.624 5.149 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.437 -10.108 3.679 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.697 -11.150 3.047 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.159 -13.031 2.898 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.903 -12.132 3.727 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.259 -11.848 1.510 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.202 -10.393 1.771 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.157 -12.180 0.983 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.780 -12.742 0.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.262 -11.120 -1.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.699 -10.012 -0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.354 -10.382 -0.291 1.00 0.00 H new ATOM 486 N ARG A 32 8.534 -10.062 6.483 1.00 0.00 N ATOM 487 CA ARG A 32 9.758 -9.409 6.931 1.00 0.00 C ATOM 488 C ARG A 32 10.338 -8.530 5.828 1.00 0.00 C ATOM 489 O ARG A 32 11.541 -8.553 5.566 1.00 0.00 O ATOM 490 CB ARG A 32 10.791 -10.451 7.369 1.00 0.00 C ATOM 491 CG ARG A 32 10.598 -10.936 8.796 1.00 0.00 C ATOM 492 CD ARG A 32 11.103 -12.360 8.976 1.00 0.00 C ATOM 493 NE ARG A 32 12.329 -12.409 9.770 1.00 0.00 N ATOM 494 CZ ARG A 32 13.541 -12.152 9.282 1.00 0.00 C ATOM 495 NH1 ARG A 32 13.695 -11.829 8.004 1.00 0.00 N ATOM 496 NH2 ARG A 32 14.602 -12.219 10.075 1.00 0.00 N ATOM 0 H ARG A 32 7.700 -9.801 7.009 1.00 0.00 H new ATOM 0 HA ARG A 32 9.511 -8.777 7.784 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.742 -11.305 6.694 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.789 -10.024 7.271 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.126 -10.273 9.481 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.541 -10.888 9.057 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.333 -12.959 9.461 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.286 -12.806 7.999 1.00 0.00 H new ATOM 0 HE ARG A 32 12.252 -12.655 10.757 1.00 0.00 H new ATOM 0 HH11 ARG A 32 12.882 -11.776 7.390 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.626 -11.633 7.636 1.00 0.00 H new ATOM 0 HH21 ARG A 32 14.489 -12.467 11.058 1.00 0.00 H new ATOM 0 HH22 ARG A 32 15.531 -12.022 9.702 1.00 0.00 H new ATOM 510 N ILE A 33 9.473 -7.753 5.183 1.00 0.00 N ATOM 511 CA ILE A 33 9.896 -6.867 4.112 1.00 0.00 C ATOM 512 C ILE A 33 10.338 -5.518 4.660 1.00 0.00 C ATOM 513 O ILE A 33 9.960 -5.125 5.764 1.00 0.00 O ATOM 514 CB ILE A 33 8.769 -6.648 3.084 1.00 0.00 C ATOM 515 CG1 ILE A 33 8.201 -7.993 2.627 1.00 0.00 C ATOM 516 CG2 ILE A 33 9.283 -5.850 1.894 1.00 0.00 C ATOM 517 CD1 ILE A 33 7.128 -7.867 1.568 1.00 0.00 C ATOM 0 H ILE A 33 8.474 -7.722 5.386 1.00 0.00 H new ATOM 0 HA ILE A 33 10.739 -7.349 3.617 1.00 0.00 H new ATOM 0 HB ILE A 33 7.969 -6.078 3.558 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.013 -8.608 2.239 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.789 -8.516 3.490 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.475 -5.704 1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.645 -4.880 2.235 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.098 -6.394 1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.771 -8.859 1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.298 -7.279 1.959 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.541 -7.372 0.689 1.00 0.00 H new ATOM 529 N GLN A 34 11.139 -4.814 3.874 1.00 0.00 N ATOM 530 CA GLN A 34 11.641 -3.501 4.264 1.00 0.00 C ATOM 531 C GLN A 34 10.891 -2.399 3.523 1.00 0.00 C ATOM 532 O GLN A 34 11.496 -1.542 2.879 1.00 0.00 O ATOM 533 CB GLN A 34 13.141 -3.400 3.978 1.00 0.00 C ATOM 534 CG GLN A 34 14.012 -3.904 5.118 1.00 0.00 C ATOM 535 CD GLN A 34 14.628 -2.776 5.923 1.00 0.00 C ATOM 536 OE1 GLN A 34 15.832 -2.766 6.178 1.00 0.00 O ATOM 537 NE2 GLN A 34 13.802 -1.819 6.329 1.00 0.00 N ATOM 0 H GLN A 34 11.457 -5.130 2.958 1.00 0.00 H new ATOM 0 HA GLN A 34 11.477 -3.374 5.334 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.370 -3.970 3.077 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.394 -2.360 3.771 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.413 -4.532 5.778 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.805 -4.533 4.714 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.811 -1.868 6.095 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.159 -1.035 6.875 1.00 0.00 H new ATOM 546 N TYR A 35 9.566 -2.434 3.616 1.00 0.00 N ATOM 547 CA TYR A 35 8.725 -1.446 2.952 1.00 0.00 C ATOM 548 C TYR A 35 8.454 -0.249 3.862 1.00 0.00 C ATOM 549 O TYR A 35 8.475 -0.369 5.087 1.00 0.00 O ATOM 550 CB TYR A 35 7.401 -2.086 2.519 1.00 0.00 C ATOM 551 CG TYR A 35 6.442 -2.344 3.662 1.00 0.00 C ATOM 552 CD1 TYR A 35 6.621 -3.424 4.518 1.00 0.00 C ATOM 553 CD2 TYR A 35 5.358 -1.503 3.885 1.00 0.00 C ATOM 554 CE1 TYR A 35 5.748 -3.658 5.564 1.00 0.00 C ATOM 555 CE2 TYR A 35 4.481 -1.731 4.929 1.00 0.00 C ATOM 556 CZ TYR A 35 4.681 -2.809 5.765 1.00 0.00 C ATOM 557 OH TYR A 35 3.810 -3.038 6.805 1.00 0.00 O ATOM 0 H TYR A 35 9.051 -3.137 4.146 1.00 0.00 H new ATOM 0 HA TYR A 35 9.257 -1.088 2.071 1.00 0.00 H new ATOM 0 HB2 TYR A 35 6.916 -1.437 1.790 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.612 -3.029 2.015 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.456 -4.091 4.364 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.198 -0.658 3.232 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.901 -4.502 6.220 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.643 -1.068 5.089 1.00 0.00 H new ATOM 0 HH TYR A 35 3.441 -2.185 7.116 1.00 0.00 H new ATOM 567 N GLN A 36 8.190 0.900 3.250 1.00 0.00 N ATOM 568 CA GLN A 36 7.901 2.118 3.993 1.00 0.00 C ATOM 569 C GLN A 36 6.403 2.226 4.253 1.00 0.00 C ATOM 570 O GLN A 36 5.621 1.426 3.742 1.00 0.00 O ATOM 571 CB GLN A 36 8.394 3.341 3.212 1.00 0.00 C ATOM 572 CG GLN A 36 8.722 4.547 4.080 1.00 0.00 C ATOM 573 CD GLN A 36 9.581 4.196 5.280 1.00 0.00 C ATOM 574 OE1 GLN A 36 9.081 3.715 6.297 1.00 0.00 O ATOM 575 NE2 GLN A 36 10.882 4.435 5.166 1.00 0.00 N ATOM 0 H GLN A 36 8.171 1.012 2.236 1.00 0.00 H new ATOM 0 HA GLN A 36 8.422 2.082 4.950 1.00 0.00 H new ATOM 0 HB2 GLN A 36 9.283 3.062 2.647 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.632 3.626 2.487 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.238 5.293 3.476 1.00 0.00 H new ATOM 0 HG3 GLN A 36 7.794 5.003 4.425 1.00 0.00 H new ATOM 0 HE21 GLN A 36 11.253 4.835 4.304 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.510 4.219 5.940 1.00 0.00 H new ATOM 584 N LEU A 37 6.004 3.214 5.041 1.00 0.00 N ATOM 585 CA LEU A 37 4.603 3.410 5.351 1.00 0.00 C ATOM 586 C LEU A 37 4.264 4.885 5.316 1.00 0.00 C ATOM 587 O LEU A 37 4.228 5.556 6.347 1.00 0.00 O ATOM 588 CB LEU A 37 4.273 2.827 6.719 1.00 0.00 C ATOM 589 CG LEU A 37 2.830 2.352 6.892 1.00 0.00 C ATOM 590 CD1 LEU A 37 2.654 0.957 6.314 1.00 0.00 C ATOM 591 CD2 LEU A 37 2.435 2.376 8.361 1.00 0.00 C ATOM 0 H LEU A 37 6.633 3.890 5.475 1.00 0.00 H new ATOM 0 HA LEU A 37 4.005 2.892 4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.941 1.987 6.909 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.484 3.580 7.478 1.00 0.00 H new ATOM 0 HG LEU A 37 2.175 3.033 6.348 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.621 0.636 6.446 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.897 0.970 5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.318 0.263 6.829 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.405 2.035 8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.095 1.718 8.926 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.522 3.393 8.745 1.00 0.00 H new ATOM 603 N VAL A 38 4.015 5.381 4.118 1.00 0.00 N ATOM 604 CA VAL A 38 3.677 6.780 3.943 1.00 0.00 C ATOM 605 C VAL A 38 2.219 7.005 4.302 1.00 0.00 C ATOM 606 O VAL A 38 1.348 7.084 3.436 1.00 0.00 O ATOM 607 CB VAL A 38 3.938 7.267 2.502 1.00 0.00 C ATOM 608 CG1 VAL A 38 5.426 7.490 2.278 1.00 0.00 C ATOM 609 CG2 VAL A 38 3.383 6.282 1.484 1.00 0.00 C ATOM 0 H VAL A 38 4.040 4.838 3.255 1.00 0.00 H new ATOM 0 HA VAL A 38 4.320 7.357 4.607 1.00 0.00 H new ATOM 0 HB VAL A 38 3.421 8.217 2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.593 7.833 1.257 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.791 8.242 2.978 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.962 6.555 2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.580 6.649 0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.863 5.312 1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.308 6.178 1.628 1.00 0.00 H new ATOM 619 N ASP A 39 1.969 7.090 5.600 1.00 0.00 N ATOM 620 CA ASP A 39 0.617 7.288 6.109 1.00 0.00 C ATOM 621 C ASP A 39 0.195 8.748 5.987 1.00 0.00 C ATOM 622 O ASP A 39 0.831 9.641 6.546 1.00 0.00 O ATOM 623 CB ASP A 39 0.529 6.843 7.571 1.00 0.00 C ATOM 624 CG ASP A 39 1.634 7.432 8.426 1.00 0.00 C ATOM 625 OD1 ASP A 39 2.813 7.334 8.024 1.00 0.00 O ATOM 626 OD2 ASP A 39 1.321 7.991 9.498 1.00 0.00 O ATOM 0 H ASP A 39 2.686 7.025 6.323 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.060 6.681 5.508 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.438 7.138 7.979 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.577 5.755 7.620 1.00 0.00 H new ATOM 631 N ILE A 40 -0.885 8.977 5.246 1.00 0.00 N ATOM 632 CA ILE A 40 -1.403 10.323 5.036 1.00 0.00 C ATOM 633 C ILE A 40 -2.173 10.828 6.255 1.00 0.00 C ATOM 634 O ILE A 40 -2.571 11.991 6.307 1.00 0.00 O ATOM 635 CB ILE A 40 -2.323 10.379 3.801 1.00 0.00 C ATOM 636 CG1 ILE A 40 -3.535 9.464 3.996 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.553 9.986 2.548 1.00 0.00 C ATOM 638 CD1 ILE A 40 -4.570 9.593 2.901 1.00 0.00 C ATOM 0 H ILE A 40 -1.420 8.244 4.780 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.539 10.968 4.873 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.680 11.402 3.680 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.195 8.429 4.044 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.001 9.691 4.955 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.216 10.030 1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.720 10.674 2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.170 8.972 2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.400 8.916 3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.938 10.619 2.867 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.119 9.337 1.942 1.00 0.00 H new ATOM 650 N SER A 41 -2.378 9.953 7.235 1.00 0.00 N ATOM 651 CA SER A 41 -3.096 10.325 8.449 1.00 0.00 C ATOM 652 C SER A 41 -2.210 11.172 9.356 1.00 0.00 C ATOM 653 O SER A 41 -2.703 11.950 10.174 1.00 0.00 O ATOM 654 CB SER A 41 -3.566 9.073 9.193 1.00 0.00 C ATOM 655 OG SER A 41 -4.894 9.227 9.662 1.00 0.00 O ATOM 0 H SER A 41 -2.058 8.985 7.212 1.00 0.00 H new ATOM 0 HA SER A 41 -3.968 10.914 8.166 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.509 8.209 8.530 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.901 8.874 10.033 1.00 0.00 H new ATOM 0 HG SER A 41 -5.427 8.449 9.395 1.00 0.00 H new ATOM 661 N GLN A 42 -0.900 11.016 9.202 1.00 0.00 N ATOM 662 CA GLN A 42 0.064 11.762 9.999 1.00 0.00 C ATOM 663 C GLN A 42 -0.056 13.261 9.737 1.00 0.00 C ATOM 664 O GLN A 42 -0.203 14.053 10.667 1.00 0.00 O ATOM 665 CB GLN A 42 1.481 11.286 9.680 1.00 0.00 C ATOM 666 CG GLN A 42 2.478 11.549 10.796 1.00 0.00 C ATOM 667 CD GLN A 42 3.350 12.760 10.526 1.00 0.00 C ATOM 668 OE1 GLN A 42 4.495 12.631 10.095 1.00 0.00 O ATOM 669 NE2 GLN A 42 2.810 13.946 10.781 1.00 0.00 N ATOM 0 H GLN A 42 -0.480 10.375 8.528 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.148 11.582 11.053 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.457 10.217 9.470 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.826 11.781 8.772 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.939 11.695 11.732 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.111 10.672 10.926 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.856 14.006 11.138 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.349 14.797 10.620 1.00 0.00 H new ATOM 678 N ASP A 43 0.008 13.643 8.464 1.00 0.00 N ATOM 679 CA ASP A 43 -0.094 15.046 8.080 1.00 0.00 C ATOM 680 C ASP A 43 -1.305 15.278 7.182 1.00 0.00 C ATOM 681 O ASP A 43 -2.005 14.337 6.811 1.00 0.00 O ATOM 682 CB ASP A 43 1.181 15.494 7.362 1.00 0.00 C ATOM 683 CG ASP A 43 1.504 16.954 7.612 1.00 0.00 C ATOM 684 OD1 ASP A 43 0.894 17.819 6.948 1.00 0.00 O ATOM 685 OD2 ASP A 43 2.366 17.233 8.472 1.00 0.00 O ATOM 0 H ASP A 43 0.130 13.000 7.682 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.219 15.637 8.987 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.017 14.878 7.694 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.068 15.328 6.291 1.00 0.00 H new ATOM 690 N ASN A 44 -1.545 16.538 6.836 1.00 0.00 N ATOM 691 CA ASN A 44 -2.673 16.895 5.980 1.00 0.00 C ATOM 692 C ASN A 44 -2.228 17.115 4.535 1.00 0.00 C ATOM 693 O ASN A 44 -3.057 17.183 3.628 1.00 0.00 O ATOM 694 CB ASN A 44 -3.361 18.154 6.511 1.00 0.00 C ATOM 695 CG ASN A 44 -4.510 17.834 7.446 1.00 0.00 C ATOM 696 OD1 ASN A 44 -5.670 17.796 7.035 1.00 0.00 O ATOM 697 ND2 ASN A 44 -4.193 17.601 8.715 1.00 0.00 N ATOM 0 H ASN A 44 -0.975 17.329 7.134 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.379 16.064 5.994 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.631 18.770 7.035 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.732 18.743 5.672 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.924 17.380 9.391 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -3.218 17.643 9.013 1.00 0.00 H new ATOM 704 N ALA A 45 -0.919 17.231 4.324 1.00 0.00 N ATOM 705 CA ALA A 45 -0.378 17.447 2.987 1.00 0.00 C ATOM 706 C ALA A 45 -0.294 16.141 2.207 1.00 0.00 C ATOM 707 O ALA A 45 -0.404 16.132 0.981 1.00 0.00 O ATOM 708 CB ALA A 45 0.991 18.103 3.072 1.00 0.00 C ATOM 0 H ALA A 45 -0.216 17.179 5.061 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.056 18.113 2.453 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.383 18.258 2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.903 19.064 3.580 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.669 17.458 3.630 1.00 0.00 H new ATOM 714 N LEU A 46 -0.101 15.038 2.922 1.00 0.00 N ATOM 715 CA LEU A 46 -0.006 13.730 2.289 1.00 0.00 C ATOM 716 C LEU A 46 -1.338 13.344 1.654 1.00 0.00 C ATOM 717 O LEU A 46 -1.375 12.658 0.632 1.00 0.00 O ATOM 718 CB LEU A 46 0.415 12.674 3.312 1.00 0.00 C ATOM 719 CG LEU A 46 1.894 12.709 3.705 1.00 0.00 C ATOM 720 CD1 LEU A 46 2.061 12.404 5.186 1.00 0.00 C ATOM 721 CD2 LEU A 46 2.692 11.725 2.863 1.00 0.00 C ATOM 0 H LEU A 46 -0.008 15.025 3.938 1.00 0.00 H new ATOM 0 HA LEU A 46 0.750 13.782 1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.188 12.800 4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.184 11.688 2.910 1.00 0.00 H new ATOM 0 HG LEU A 46 2.277 13.712 3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.119 12.433 5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.522 13.147 5.774 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.662 11.413 5.401 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.741 11.763 3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.308 10.717 3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.599 11.989 1.809 1.00 0.00 H new ATOM 733 N ARG A 47 -2.429 13.794 2.266 1.00 0.00 N ATOM 734 CA ARG A 47 -3.764 13.501 1.761 1.00 0.00 C ATOM 735 C ARG A 47 -3.999 14.186 0.419 1.00 0.00 C ATOM 736 O ARG A 47 -4.467 13.562 -0.534 1.00 0.00 O ATOM 737 CB ARG A 47 -4.824 13.950 2.769 1.00 0.00 C ATOM 738 CG ARG A 47 -4.658 13.325 4.145 1.00 0.00 C ATOM 739 CD ARG A 47 -5.358 14.143 5.220 1.00 0.00 C ATOM 740 NE ARG A 47 -6.439 13.397 5.858 1.00 0.00 N ATOM 741 CZ ARG A 47 -7.358 13.951 6.646 1.00 0.00 C ATOM 742 NH1 ARG A 47 -7.330 15.254 6.896 1.00 0.00 N ATOM 743 NH2 ARG A 47 -8.308 13.199 7.186 1.00 0.00 N ATOM 0 H ARG A 47 -2.414 14.363 3.112 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.843 12.423 1.618 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.786 15.035 2.865 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.811 13.699 2.382 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.062 12.313 4.137 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.597 13.243 4.382 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.632 14.446 5.975 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.759 15.055 4.778 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.493 12.392 5.690 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.602 15.837 6.484 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.037 15.673 7.501 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.334 12.197 6.997 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.012 13.623 7.790 1.00 0.00 H new ATOM 757 N ASP A 48 -3.669 15.473 0.349 1.00 0.00 N ATOM 758 CA ASP A 48 -3.844 16.237 -0.882 1.00 0.00 C ATOM 759 C ASP A 48 -2.668 16.049 -1.830 1.00 0.00 C ATOM 760 O ASP A 48 -2.635 16.612 -2.924 1.00 0.00 O ATOM 761 CB ASP A 48 -4.040 17.721 -0.571 1.00 0.00 C ATOM 762 CG ASP A 48 -5.119 18.354 -1.427 1.00 0.00 C ATOM 763 OD1 ASP A 48 -5.150 18.076 -2.645 1.00 0.00 O ATOM 764 OD2 ASP A 48 -5.932 19.129 -0.881 1.00 0.00 O ATOM 0 H ASP A 48 -3.281 16.006 1.127 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.738 15.859 -1.378 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.300 17.838 0.481 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.100 18.249 -0.727 1.00 0.00 H new ATOM 769 N GLU A 49 -1.715 15.245 -1.402 1.00 0.00 N ATOM 770 CA GLU A 49 -0.532 14.955 -2.202 1.00 0.00 C ATOM 771 C GLU A 49 -0.675 13.603 -2.893 1.00 0.00 C ATOM 772 O GLU A 49 -0.132 13.384 -3.976 1.00 0.00 O ATOM 773 CB GLU A 49 0.722 14.965 -1.324 1.00 0.00 C ATOM 774 CG GLU A 49 2.001 14.659 -2.087 1.00 0.00 C ATOM 775 CD GLU A 49 3.139 14.247 -1.174 1.00 0.00 C ATOM 776 OE1 GLU A 49 3.076 14.561 0.033 1.00 0.00 O ATOM 777 OE2 GLU A 49 4.094 13.609 -1.666 1.00 0.00 O ATOM 0 H GLU A 49 -1.734 14.775 -0.497 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.434 15.729 -2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.816 15.942 -0.850 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.602 14.234 -0.525 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.809 13.862 -2.805 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.298 15.538 -2.658 1.00 0.00 H new ATOM 784 N MET A 50 -1.416 12.701 -2.256 1.00 0.00 N ATOM 785 CA MET A 50 -1.639 11.368 -2.802 1.00 0.00 C ATOM 786 C MET A 50 -2.803 11.376 -3.787 1.00 0.00 C ATOM 787 O MET A 50 -2.747 10.733 -4.835 1.00 0.00 O ATOM 788 CB MET A 50 -1.916 10.373 -1.674 1.00 0.00 C ATOM 789 CG MET A 50 -1.557 8.938 -2.026 1.00 0.00 C ATOM 790 SD MET A 50 -2.698 8.208 -3.215 1.00 0.00 S ATOM 791 CE MET A 50 -2.055 6.540 -3.321 1.00 0.00 C ATOM 0 H MET A 50 -1.873 12.870 -1.360 1.00 0.00 H new ATOM 0 HA MET A 50 -0.738 11.061 -3.333 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.353 10.673 -0.790 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.973 10.420 -1.411 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.547 8.910 -2.434 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.551 8.336 -1.117 1.00 0.00 H new ATOM 0 HE1 MET A 50 -2.841 5.868 -3.667 1.00 0.00 H new ATOM 0 HE2 MET A 50 -1.222 6.515 -4.023 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.711 6.220 -2.338 1.00 0.00 H new ATOM 801 N ARG A 51 -3.857 12.111 -3.444 1.00 0.00 N ATOM 802 CA ARG A 51 -5.035 12.205 -4.299 1.00 0.00 C ATOM 803 C ARG A 51 -4.667 12.767 -5.669 1.00 0.00 C ATOM 804 O ARG A 51 -5.300 12.443 -6.674 1.00 0.00 O ATOM 805 CB ARG A 51 -6.100 13.084 -3.641 1.00 0.00 C ATOM 806 CG ARG A 51 -7.192 12.294 -2.938 1.00 0.00 C ATOM 807 CD ARG A 51 -6.720 11.768 -1.592 1.00 0.00 C ATOM 808 NE ARG A 51 -7.758 10.997 -0.912 1.00 0.00 N ATOM 809 CZ ARG A 51 -8.158 9.788 -1.300 1.00 0.00 C ATOM 810 NH1 ARG A 51 -7.610 9.209 -2.361 1.00 0.00 N ATOM 811 NH2 ARG A 51 -9.108 9.156 -0.624 1.00 0.00 N ATOM 0 H ARG A 51 -3.919 12.650 -2.580 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.438 11.201 -4.434 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.619 13.744 -2.919 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.555 13.720 -4.401 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -8.067 12.928 -2.796 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.502 11.460 -3.568 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.839 11.142 -1.736 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.418 12.604 -0.962 1.00 0.00 H new ATOM 0 HE ARG A 51 -8.202 11.409 -0.092 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -6.878 9.690 -2.884 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.920 8.283 -2.654 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.532 9.596 0.193 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -9.415 8.230 -0.921 1.00 0.00 H new ATOM 825 N ALA A 52 -3.640 13.610 -5.701 1.00 0.00 N ATOM 826 CA ALA A 52 -3.187 14.217 -6.947 1.00 0.00 C ATOM 827 C ALA A 52 -2.266 13.274 -7.714 1.00 0.00 C ATOM 828 O ALA A 52 -2.503 12.975 -8.884 1.00 0.00 O ATOM 829 CB ALA A 52 -2.482 15.535 -6.666 1.00 0.00 C ATOM 0 H ALA A 52 -3.106 13.888 -4.878 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.062 14.411 -7.567 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.149 15.977 -7.605 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.171 16.217 -6.168 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.620 15.357 -6.023 1.00 0.00 H new ATOM 835 N LEU A 53 -1.215 12.808 -7.046 1.00 0.00 N ATOM 836 CA LEU A 53 -0.258 11.898 -7.667 1.00 0.00 C ATOM 837 C LEU A 53 -0.946 10.620 -8.137 1.00 0.00 C ATOM 838 O LEU A 53 -0.526 10.000 -9.114 1.00 0.00 O ATOM 839 CB LEU A 53 0.863 11.556 -6.683 1.00 0.00 C ATOM 840 CG LEU A 53 1.769 12.728 -6.301 1.00 0.00 C ATOM 841 CD1 LEU A 53 2.818 12.284 -5.293 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.430 13.315 -7.538 1.00 0.00 C ATOM 0 H LEU A 53 -1.005 13.045 -6.076 1.00 0.00 H new ATOM 0 HA LEU A 53 0.170 12.398 -8.536 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.417 11.150 -5.775 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.478 10.767 -7.116 1.00 0.00 H new ATOM 0 HG LEU A 53 1.156 13.502 -5.839 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.454 13.130 -5.033 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.325 11.911 -4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.428 11.492 -5.728 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.071 14.148 -7.248 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.030 12.549 -8.028 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.663 13.670 -8.226 1.00 0.00 H new ATOM 854 N ALA A 54 -2.007 10.233 -7.436 1.00 0.00 N ATOM 855 CA ALA A 54 -2.755 9.030 -7.780 1.00 0.00 C ATOM 856 C ALA A 54 -3.732 9.287 -8.925 1.00 0.00 C ATOM 857 O ALA A 54 -4.247 8.348 -9.533 1.00 0.00 O ATOM 858 CB ALA A 54 -3.499 8.506 -6.561 1.00 0.00 C ATOM 0 H ALA A 54 -2.368 10.736 -6.625 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.041 8.277 -8.113 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.054 7.607 -6.832 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.784 8.268 -5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.193 9.267 -6.204 1.00 0.00 H new ATOM 864 N GLY A 55 -3.989 10.560 -9.216 1.00 0.00 N ATOM 865 CA GLY A 55 -4.908 10.902 -10.286 1.00 0.00 C ATOM 866 C GLY A 55 -6.292 10.332 -10.053 1.00 0.00 C ATOM 867 O GLY A 55 -6.892 9.749 -10.956 1.00 0.00 O ATOM 0 H GLY A 55 -3.578 11.358 -8.731 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.973 11.986 -10.374 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.517 10.528 -11.232 1.00 0.00 H new ATOM 871 N ASN A 56 -6.796 10.500 -8.835 1.00 0.00 N ATOM 872 CA ASN A 56 -8.114 10.000 -8.470 1.00 0.00 C ATOM 873 C ASN A 56 -8.422 10.336 -7.030 1.00 0.00 C ATOM 874 O ASN A 56 -7.772 9.845 -6.106 1.00 0.00 O ATOM 875 CB ASN A 56 -8.206 8.487 -8.692 1.00 0.00 C ATOM 876 CG ASN A 56 -9.573 7.931 -8.344 1.00 0.00 C ATOM 877 OD1 ASN A 56 -10.539 8.121 -9.082 1.00 0.00 O ATOM 878 ND2 ASN A 56 -9.659 7.238 -7.215 1.00 0.00 N ATOM 0 H ASN A 56 -6.307 10.982 -8.081 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.851 10.485 -9.111 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.980 8.262 -9.734 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -7.449 7.988 -8.087 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.553 6.838 -6.929 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.831 7.105 -6.634 1.00 0.00 H new ATOM 885 N PRO A 57 -9.422 11.196 -6.824 1.00 0.00 N ATOM 886 CA PRO A 57 -9.831 11.630 -5.507 1.00 0.00 C ATOM 887 C PRO A 57 -10.848 10.690 -4.868 1.00 0.00 C ATOM 888 O PRO A 57 -11.615 11.088 -3.991 1.00 0.00 O ATOM 889 CB PRO A 57 -10.451 13.004 -5.777 1.00 0.00 C ATOM 890 CG PRO A 57 -10.489 13.184 -7.262 1.00 0.00 C ATOM 891 CD PRO A 57 -10.233 11.839 -7.859 1.00 0.00 C ATOM 0 HA PRO A 57 -9.000 11.650 -4.802 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.455 13.063 -5.356 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -9.861 13.792 -5.308 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.456 13.572 -7.581 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.735 13.902 -7.585 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.158 11.294 -8.050 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -9.702 11.908 -8.809 1.00 0.00 H new ATOM 899 N LYS A 58 -10.838 9.439 -5.308 1.00 0.00 N ATOM 900 CA LYS A 58 -11.746 8.428 -4.780 1.00 0.00 C ATOM 901 C LYS A 58 -10.966 7.248 -4.200 1.00 0.00 C ATOM 902 O LYS A 58 -11.548 6.346 -3.597 1.00 0.00 O ATOM 903 CB LYS A 58 -12.695 7.942 -5.878 1.00 0.00 C ATOM 904 CG LYS A 58 -14.093 8.530 -5.776 1.00 0.00 C ATOM 905 CD LYS A 58 -15.082 7.526 -5.205 1.00 0.00 C ATOM 906 CE LYS A 58 -14.748 7.174 -3.764 1.00 0.00 C ATOM 907 NZ LYS A 58 -14.966 5.728 -3.482 1.00 0.00 N ATOM 0 H LYS A 58 -10.207 9.098 -6.034 1.00 0.00 H new ATOM 0 HA LYS A 58 -12.332 8.880 -3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.273 8.196 -6.850 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.763 6.855 -5.834 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -14.070 9.418 -5.144 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.427 8.850 -6.763 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -16.090 7.937 -5.256 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -15.076 6.621 -5.813 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.709 7.432 -3.559 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.363 7.772 -3.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.727 5.528 -2.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.963 5.487 -3.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.360 5.157 -4.106 1.00 0.00 H new ATOM 921 N ALA A 59 -9.646 7.259 -4.386 1.00 0.00 N ATOM 922 CA ALA A 59 -8.792 6.191 -3.881 1.00 0.00 C ATOM 923 C ALA A 59 -8.935 6.039 -2.370 1.00 0.00 C ATOM 924 O ALA A 59 -9.858 6.583 -1.764 1.00 0.00 O ATOM 925 CB ALA A 59 -7.341 6.458 -4.254 1.00 0.00 C ATOM 0 H ALA A 59 -9.148 7.997 -4.883 1.00 0.00 H new ATOM 0 HA ALA A 59 -9.109 5.256 -4.343 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.713 5.653 -3.871 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.247 6.507 -5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.022 7.405 -3.819 1.00 0.00 H new ATOM 931 N THR A 60 -8.014 5.295 -1.768 1.00 0.00 N ATOM 932 CA THR A 60 -8.031 5.067 -0.328 1.00 0.00 C ATOM 933 C THR A 60 -6.617 5.137 0.244 1.00 0.00 C ATOM 934 O THR A 60 -5.642 5.163 -0.504 1.00 0.00 O ATOM 935 CB THR A 60 -8.659 3.707 -0.020 1.00 0.00 C ATOM 936 OG1 THR A 60 -7.784 2.656 -0.388 1.00 0.00 O ATOM 937 CG2 THR A 60 -9.973 3.480 -0.737 1.00 0.00 C ATOM 0 H THR A 60 -7.244 4.838 -2.257 1.00 0.00 H new ATOM 0 HA THR A 60 -8.630 5.848 0.140 1.00 0.00 H new ATOM 0 HB THR A 60 -8.844 3.710 1.054 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.167 2.972 -1.081 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.365 2.497 -0.475 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.688 4.247 -0.439 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.814 3.532 -1.814 1.00 0.00 H new ATOM 945 N PRO A 61 -6.483 5.177 1.581 1.00 0.00 N ATOM 946 CA PRO A 61 -5.174 5.250 2.240 1.00 0.00 C ATOM 947 C PRO A 61 -4.240 4.102 1.847 1.00 0.00 C ATOM 948 O PRO A 61 -3.070 4.330 1.543 1.00 0.00 O ATOM 949 CB PRO A 61 -5.514 5.176 3.732 1.00 0.00 C ATOM 950 CG PRO A 61 -6.933 5.621 3.825 1.00 0.00 C ATOM 951 CD PRO A 61 -7.590 5.164 2.554 1.00 0.00 C ATOM 0 HA PRO A 61 -4.636 6.154 1.954 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.392 4.163 4.115 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.859 5.820 4.319 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.423 5.186 4.696 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -6.997 6.704 3.931 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.022 4.169 2.659 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.397 5.832 2.255 1.00 0.00 H new ATOM 959 N PRO A 62 -4.734 2.848 1.856 1.00 0.00 N ATOM 960 CA PRO A 62 -3.915 1.681 1.508 1.00 0.00 C ATOM 961 C PRO A 62 -3.661 1.558 0.007 1.00 0.00 C ATOM 962 O PRO A 62 -4.456 0.963 -0.720 1.00 0.00 O ATOM 963 CB PRO A 62 -4.752 0.504 2.007 1.00 0.00 C ATOM 964 CG PRO A 62 -6.160 0.985 1.938 1.00 0.00 C ATOM 965 CD PRO A 62 -6.115 2.464 2.216 1.00 0.00 C ATOM 0 HA PRO A 62 -2.921 1.740 1.951 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.604 -0.379 1.385 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.478 0.226 3.025 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.591 0.787 0.957 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.783 0.471 2.670 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.849 3.006 1.620 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.331 2.681 3.262 1.00 0.00 H new ATOM 973 N GLN A 63 -2.541 2.116 -0.445 1.00 0.00 N ATOM 974 CA GLN A 63 -2.168 2.064 -1.856 1.00 0.00 C ATOM 975 C GLN A 63 -0.658 1.918 -2.005 1.00 0.00 C ATOM 976 O GLN A 63 0.111 2.601 -1.329 1.00 0.00 O ATOM 977 CB GLN A 63 -2.643 3.322 -2.588 1.00 0.00 C ATOM 978 CG GLN A 63 -4.029 3.786 -2.172 1.00 0.00 C ATOM 979 CD GLN A 63 -5.138 2.947 -2.778 1.00 0.00 C ATOM 980 OE1 GLN A 63 -5.962 2.377 -2.064 1.00 0.00 O ATOM 981 NE2 GLN A 63 -5.165 2.869 -4.103 1.00 0.00 N ATOM 0 H GLN A 63 -1.874 2.611 0.147 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.653 1.195 -2.301 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.931 4.127 -2.407 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.641 3.130 -3.661 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.107 3.752 -1.085 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.163 4.826 -2.469 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.462 3.358 -4.657 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.889 2.320 -4.567 1.00 0.00 H new ATOM 990 N ILE A 64 -0.238 1.020 -2.890 1.00 0.00 N ATOM 991 CA ILE A 64 1.182 0.784 -3.121 1.00 0.00 C ATOM 992 C ILE A 64 1.781 1.847 -4.034 1.00 0.00 C ATOM 993 O ILE A 64 1.147 2.286 -4.994 1.00 0.00 O ATOM 994 CB ILE A 64 1.430 -0.604 -3.742 1.00 0.00 C ATOM 995 CG1 ILE A 64 0.632 -1.674 -2.993 1.00 0.00 C ATOM 996 CG2 ILE A 64 2.917 -0.934 -3.726 1.00 0.00 C ATOM 997 CD1 ILE A 64 -0.663 -2.051 -3.679 1.00 0.00 C ATOM 0 H ILE A 64 -0.860 0.445 -3.458 1.00 0.00 H new ATOM 0 HA ILE A 64 1.667 0.832 -2.146 1.00 0.00 H new ATOM 0 HB ILE A 64 1.093 -0.587 -4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.249 -2.566 -2.883 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.410 -1.314 -1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.076 -1.918 -4.168 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.462 -0.185 -4.301 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.278 -0.936 -2.698 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.176 -2.814 -3.093 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.299 -1.170 -3.765 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.448 -2.441 -4.674 1.00 0.00 H new ATOM 1009 N VAL A 65 3.008 2.252 -3.728 1.00 0.00 N ATOM 1010 CA VAL A 65 3.704 3.260 -4.516 1.00 0.00 C ATOM 1011 C VAL A 65 5.198 2.957 -4.577 1.00 0.00 C ATOM 1012 O VAL A 65 5.802 2.552 -3.584 1.00 0.00 O ATOM 1013 CB VAL A 65 3.488 4.673 -3.934 1.00 0.00 C ATOM 1014 CG1 VAL A 65 4.255 5.720 -4.732 1.00 0.00 C ATOM 1015 CG2 VAL A 65 2.004 5.005 -3.893 1.00 0.00 C ATOM 0 H VAL A 65 3.543 1.895 -2.936 1.00 0.00 H new ATOM 0 HA VAL A 65 3.289 3.231 -5.524 1.00 0.00 H new ATOM 0 HB VAL A 65 3.875 4.685 -2.915 1.00 0.00 H new ATOM 0 HG11 VAL A 65 4.084 6.705 -4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.320 5.491 -4.703 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.911 5.714 -5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.866 6.004 -3.480 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.595 4.970 -4.903 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.486 4.279 -3.266 1.00 0.00 H new ATOM 1025 N ASN A 66 5.787 3.152 -5.751 1.00 0.00 N ATOM 1026 CA ASN A 66 7.209 2.897 -5.945 1.00 0.00 C ATOM 1027 C ASN A 66 8.000 4.201 -5.960 1.00 0.00 C ATOM 1028 O ASN A 66 8.543 4.600 -6.991 1.00 0.00 O ATOM 1029 CB ASN A 66 7.436 2.128 -7.249 1.00 0.00 C ATOM 1030 CG ASN A 66 8.582 1.141 -7.145 1.00 0.00 C ATOM 1031 OD1 ASN A 66 9.500 1.150 -7.965 1.00 0.00 O ATOM 1032 ND2 ASN A 66 8.534 0.282 -6.134 1.00 0.00 N ATOM 0 H ASN A 66 5.301 3.486 -6.583 1.00 0.00 H new ATOM 0 HA ASN A 66 7.563 2.292 -5.110 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.524 1.595 -7.517 1.00 0.00 H new ATOM 0 HB3 ASN A 66 7.640 2.834 -8.054 1.00 0.00 H new ATOM 0 HD21 ASN A 66 9.277 -0.406 -6.014 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.754 0.310 -5.477 1.00 0.00 H new ATOM 1039 N GLY A 67 8.060 4.861 -4.809 1.00 0.00 N ATOM 1040 CA GLY A 67 8.787 6.113 -4.711 1.00 0.00 C ATOM 1041 C GLY A 67 7.896 7.319 -4.931 1.00 0.00 C ATOM 1042 O GLY A 67 7.540 8.017 -3.982 1.00 0.00 O ATOM 0 H GLY A 67 7.619 4.552 -3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.252 6.183 -3.728 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.592 6.121 -5.446 1.00 0.00 H new ATOM 1046 N ASP A 68 7.538 7.565 -6.186 1.00 0.00 N ATOM 1047 CA ASP A 68 6.684 8.696 -6.527 1.00 0.00 C ATOM 1048 C ASP A 68 5.799 8.370 -7.725 1.00 0.00 C ATOM 1049 O ASP A 68 5.600 9.205 -8.608 1.00 0.00 O ATOM 1050 CB ASP A 68 7.536 9.931 -6.827 1.00 0.00 C ATOM 1051 CG ASP A 68 7.884 10.711 -5.575 1.00 0.00 C ATOM 1052 OD1 ASP A 68 6.975 10.949 -4.752 1.00 0.00 O ATOM 1053 OD2 ASP A 68 9.066 11.084 -5.417 1.00 0.00 O ATOM 0 H ASP A 68 7.825 6.997 -6.983 1.00 0.00 H new ATOM 0 HA ASP A 68 6.041 8.905 -5.672 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.454 9.623 -7.327 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.999 10.580 -7.519 1.00 0.00 H new ATOM 1058 N GLN A 69 5.268 7.152 -7.751 1.00 0.00 N ATOM 1059 CA GLN A 69 4.403 6.722 -8.841 1.00 0.00 C ATOM 1060 C GLN A 69 3.305 5.802 -8.324 1.00 0.00 C ATOM 1061 O GLN A 69 3.412 5.241 -7.236 1.00 0.00 O ATOM 1062 CB GLN A 69 5.219 6.008 -9.921 1.00 0.00 C ATOM 1063 CG GLN A 69 5.304 6.777 -11.229 1.00 0.00 C ATOM 1064 CD GLN A 69 5.298 5.867 -12.441 1.00 0.00 C ATOM 1065 OE1 GLN A 69 5.126 4.654 -12.320 1.00 0.00 O ATOM 1066 NE2 GLN A 69 5.488 6.449 -13.620 1.00 0.00 N ATOM 0 H GLN A 69 5.422 6.447 -7.030 1.00 0.00 H new ATOM 0 HA GLN A 69 3.940 7.607 -9.277 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.227 5.833 -9.546 1.00 0.00 H new ATOM 0 HB3 GLN A 69 4.776 5.031 -10.112 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.464 7.469 -11.295 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.213 7.378 -11.235 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.627 7.458 -13.674 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.495 5.887 -14.471 1.00 0.00 H new ATOM 1075 N TYR A 70 2.252 5.650 -9.112 1.00 0.00 N ATOM 1076 CA TYR A 70 1.138 4.795 -8.730 1.00 0.00 C ATOM 1077 C TYR A 70 1.466 3.331 -8.997 1.00 0.00 C ATOM 1078 O TYR A 70 1.421 2.872 -10.139 1.00 0.00 O ATOM 1079 CB TYR A 70 -0.127 5.199 -9.490 1.00 0.00 C ATOM 1080 CG TYR A 70 -1.399 5.060 -8.682 1.00 0.00 C ATOM 1081 CD1 TYR A 70 -1.438 5.408 -7.337 1.00 0.00 C ATOM 1082 CD2 TYR A 70 -2.564 4.581 -9.269 1.00 0.00 C ATOM 1083 CE1 TYR A 70 -2.601 5.281 -6.601 1.00 0.00 C ATOM 1084 CE2 TYR A 70 -3.731 4.453 -8.539 1.00 0.00 C ATOM 1085 CZ TYR A 70 -3.744 4.804 -7.206 1.00 0.00 C ATOM 1086 OH TYR A 70 -4.903 4.677 -6.477 1.00 0.00 O ATOM 0 H TYR A 70 2.145 6.106 -10.018 1.00 0.00 H new ATOM 0 HA TYR A 70 0.962 4.920 -7.662 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -0.027 6.234 -9.817 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -0.210 4.587 -10.388 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.545 5.784 -6.859 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -2.558 4.304 -10.313 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -2.614 5.554 -5.556 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -4.628 4.080 -9.011 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.615 4.328 -7.053 1.00 0.00 H new ATOM 1096 N CYS A 71 1.803 2.605 -7.937 1.00 0.00 N ATOM 1097 CA CYS A 71 2.148 1.193 -8.058 1.00 0.00 C ATOM 1098 C CYS A 71 0.894 0.329 -8.171 1.00 0.00 C ATOM 1099 O CYS A 71 0.733 -0.417 -9.136 1.00 0.00 O ATOM 1100 CB CYS A 71 2.982 0.745 -6.857 1.00 0.00 C ATOM 1101 SG CYS A 71 4.053 -0.673 -7.191 1.00 0.00 S ATOM 0 H CYS A 71 1.845 2.970 -6.985 1.00 0.00 H new ATOM 0 HA CYS A 71 2.735 1.068 -8.968 1.00 0.00 H new ATOM 0 HB2 CYS A 71 3.597 1.581 -6.523 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.311 0.495 -6.035 1.00 0.00 H new ATOM 0 HG CYS A 71 3.515 -1.749 -6.697 1.00 0.00 H new ATOM 1107 N GLY A 72 0.008 0.432 -7.184 1.00 0.00 N ATOM 1108 CA GLY A 72 -1.213 -0.351 -7.210 1.00 0.00 C ATOM 1109 C GLY A 72 -2.178 0.027 -6.105 1.00 0.00 C ATOM 1110 O GLY A 72 -2.168 1.159 -5.622 1.00 0.00 O ATOM 0 H GLY A 72 0.113 1.040 -6.372 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.703 -0.219 -8.175 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.963 -1.408 -7.122 1.00 0.00 H new ATOM 1114 N ASP A 73 -3.016 -0.925 -5.708 1.00 0.00 N ATOM 1115 CA ASP A 73 -3.999 -0.693 -4.656 1.00 0.00 C ATOM 1116 C ASP A 73 -4.168 -1.938 -3.790 1.00 0.00 C ATOM 1117 O ASP A 73 -3.360 -2.865 -3.853 1.00 0.00 O ATOM 1118 CB ASP A 73 -5.347 -0.294 -5.264 1.00 0.00 C ATOM 1119 CG ASP A 73 -5.202 0.656 -6.438 1.00 0.00 C ATOM 1120 OD1 ASP A 73 -4.496 1.676 -6.294 1.00 0.00 O ATOM 1121 OD2 ASP A 73 -5.795 0.379 -7.502 1.00 0.00 O ATOM 0 H ASP A 73 -3.034 -1.866 -6.100 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.638 0.121 -4.028 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.873 -1.191 -5.591 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.963 0.175 -4.496 1.00 0.00 H new ATOM 1126 N TYR A 74 -5.223 -1.952 -2.982 1.00 0.00 N ATOM 1127 CA TYR A 74 -5.499 -3.084 -2.103 1.00 0.00 C ATOM 1128 C TYR A 74 -5.926 -4.309 -2.906 1.00 0.00 C ATOM 1129 O TYR A 74 -5.431 -5.413 -2.681 1.00 0.00 O ATOM 1130 CB TYR A 74 -6.587 -2.717 -1.092 1.00 0.00 C ATOM 1131 CG TYR A 74 -6.927 -3.836 -0.133 1.00 0.00 C ATOM 1132 CD1 TYR A 74 -6.246 -3.978 1.069 1.00 0.00 C ATOM 1133 CD2 TYR A 74 -7.929 -4.751 -0.431 1.00 0.00 C ATOM 1134 CE1 TYR A 74 -6.554 -4.999 1.948 1.00 0.00 C ATOM 1135 CE2 TYR A 74 -8.243 -5.775 0.442 1.00 0.00 C ATOM 1136 CZ TYR A 74 -7.553 -5.895 1.630 1.00 0.00 C ATOM 1137 OH TYR A 74 -7.863 -6.913 2.502 1.00 0.00 O ATOM 0 H TYR A 74 -5.901 -1.193 -2.917 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.581 -3.327 -1.568 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.262 -1.847 -0.521 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.488 -2.426 -1.631 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.462 -3.279 1.321 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.472 -4.660 -1.360 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.015 -5.095 2.879 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.025 -6.478 0.195 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.038 -7.734 1.997 1.00 0.00 H new ATOM 1147 N GLU A 75 -6.849 -4.108 -3.841 1.00 0.00 N ATOM 1148 CA GLU A 75 -7.347 -5.189 -4.675 1.00 0.00 C ATOM 1149 C GLU A 75 -6.209 -5.886 -5.416 1.00 0.00 C ATOM 1150 O GLU A 75 -6.083 -7.109 -5.370 1.00 0.00 O ATOM 1151 CB GLU A 75 -8.363 -4.635 -5.670 1.00 0.00 C ATOM 1152 CG GLU A 75 -9.605 -5.494 -5.811 1.00 0.00 C ATOM 1153 CD GLU A 75 -9.724 -6.134 -7.181 1.00 0.00 C ATOM 1154 OE1 GLU A 75 -10.118 -5.428 -8.133 1.00 0.00 O ATOM 1155 OE2 GLU A 75 -9.423 -7.340 -7.301 1.00 0.00 O ATOM 0 H GLU A 75 -7.268 -3.199 -4.039 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.827 -5.928 -4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.658 -3.634 -5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.887 -4.536 -6.646 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.590 -6.275 -5.050 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.488 -4.883 -5.623 1.00 0.00 H new ATOM 1162 N LEU A 76 -5.384 -5.099 -6.098 1.00 0.00 N ATOM 1163 CA LEU A 76 -4.255 -5.638 -6.852 1.00 0.00 C ATOM 1164 C LEU A 76 -3.340 -6.462 -5.952 1.00 0.00 C ATOM 1165 O LEU A 76 -3.203 -7.674 -6.127 1.00 0.00 O ATOM 1166 CB LEU A 76 -3.456 -4.503 -7.495 1.00 0.00 C ATOM 1167 CG LEU A 76 -4.247 -3.609 -8.452 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -4.809 -2.400 -7.716 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -3.368 -3.168 -9.613 1.00 0.00 C ATOM 0 H LEU A 76 -5.475 -4.084 -6.145 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.652 -6.287 -7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.039 -3.881 -6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.615 -4.935 -8.038 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.083 -4.184 -8.850 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.368 -1.777 -8.414 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.471 -2.735 -6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.990 -1.821 -7.289 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.945 -2.533 -10.285 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.513 -2.610 -9.231 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.015 -4.045 -10.156 1.00 0.00 H new ATOM 1181 N PHE A 77 -2.715 -5.792 -4.989 1.00 0.00 N ATOM 1182 CA PHE A 77 -1.805 -6.448 -4.054 1.00 0.00 C ATOM 1183 C PHE A 77 -2.412 -7.739 -3.504 1.00 0.00 C ATOM 1184 O PHE A 77 -1.801 -8.806 -3.578 1.00 0.00 O ATOM 1185 CB PHE A 77 -1.467 -5.496 -2.905 1.00 0.00 C ATOM 1186 CG PHE A 77 -0.495 -6.064 -1.910 1.00 0.00 C ATOM 1187 CD1 PHE A 77 -0.920 -6.943 -0.927 1.00 0.00 C ATOM 1188 CD2 PHE A 77 0.845 -5.713 -1.957 1.00 0.00 C ATOM 1189 CE1 PHE A 77 -0.026 -7.462 -0.009 1.00 0.00 C ATOM 1190 CE2 PHE A 77 1.742 -6.228 -1.041 1.00 0.00 C ATOM 1191 CZ PHE A 77 1.307 -7.103 -0.066 1.00 0.00 C ATOM 0 H PHE A 77 -2.823 -4.789 -4.835 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.893 -6.707 -4.591 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.053 -4.576 -3.318 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.387 -5.227 -2.386 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.961 -7.226 -0.877 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.192 -5.029 -2.718 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.369 -8.147 0.752 1.00 0.00 H new ATOM 0 HE2 PHE A 77 2.783 -5.946 -1.088 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.007 -7.506 0.651 1.00 0.00 H new ATOM 1201 N VAL A 78 -3.618 -7.632 -2.955 1.00 0.00 N ATOM 1202 CA VAL A 78 -4.309 -8.787 -2.395 1.00 0.00 C ATOM 1203 C VAL A 78 -4.659 -9.798 -3.482 1.00 0.00 C ATOM 1204 O VAL A 78 -4.703 -11.003 -3.232 1.00 0.00 O ATOM 1205 CB VAL A 78 -5.598 -8.371 -1.660 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -6.230 -9.568 -0.965 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -5.311 -7.258 -0.663 1.00 0.00 C ATOM 0 H VAL A 78 -4.137 -6.756 -2.886 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.627 -9.247 -1.680 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.306 -7.993 -2.398 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.139 -9.253 -0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.476 -10.330 -1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.528 -9.980 -0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.234 -6.978 -0.154 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.583 -7.605 0.070 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.910 -6.392 -1.190 1.00 0.00 H new ATOM 1217 N GLU A 79 -4.906 -9.302 -4.691 1.00 0.00 N ATOM 1218 CA GLU A 79 -5.250 -10.165 -5.815 1.00 0.00 C ATOM 1219 C GLU A 79 -4.010 -10.844 -6.396 1.00 0.00 C ATOM 1220 O GLU A 79 -4.113 -11.663 -7.309 1.00 0.00 O ATOM 1221 CB GLU A 79 -5.958 -9.362 -6.908 1.00 0.00 C ATOM 1222 CG GLU A 79 -6.346 -10.198 -8.118 1.00 0.00 C ATOM 1223 CD GLU A 79 -7.779 -9.962 -8.555 1.00 0.00 C ATOM 1224 OE1 GLU A 79 -8.698 -10.470 -7.878 1.00 0.00 O ATOM 1225 OE2 GLU A 79 -7.982 -9.268 -9.574 1.00 0.00 O ATOM 0 H GLU A 79 -4.874 -8.308 -4.917 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.922 -10.938 -5.443 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.855 -8.905 -6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.307 -8.550 -7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.675 -9.966 -8.945 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.211 -11.254 -7.884 1.00 0.00 H new ATOM 1232 N ALA A 80 -2.838 -10.499 -5.870 1.00 0.00 N ATOM 1233 CA ALA A 80 -1.590 -11.078 -6.349 1.00 0.00 C ATOM 1234 C ALA A 80 -1.140 -12.236 -5.462 1.00 0.00 C ATOM 1235 O ALA A 80 -0.815 -13.315 -5.956 1.00 0.00 O ATOM 1236 CB ALA A 80 -0.512 -10.008 -6.421 1.00 0.00 C ATOM 0 H ALA A 80 -2.728 -9.823 -5.114 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.761 -11.475 -7.350 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.417 -10.451 -6.780 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.827 -9.220 -7.105 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.353 -9.585 -5.429 1.00 0.00 H new ATOM 1242 N VAL A 81 -1.128 -12.009 -4.151 1.00 0.00 N ATOM 1243 CA VAL A 81 -0.721 -13.044 -3.201 1.00 0.00 C ATOM 1244 C VAL A 81 -1.555 -14.310 -3.384 1.00 0.00 C ATOM 1245 O VAL A 81 -1.084 -15.422 -3.145 1.00 0.00 O ATOM 1246 CB VAL A 81 -0.867 -12.564 -1.742 1.00 0.00 C ATOM 1247 CG1 VAL A 81 -0.284 -13.589 -0.782 1.00 0.00 C ATOM 1248 CG2 VAL A 81 -0.205 -11.208 -1.547 1.00 0.00 C ATOM 0 H VAL A 81 -1.394 -11.122 -3.722 1.00 0.00 H new ATOM 0 HA VAL A 81 0.328 -13.261 -3.402 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.930 -12.455 -1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.396 -13.233 0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.811 -14.536 -0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.774 -13.733 -1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.322 -10.892 -0.510 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.856 -11.283 -1.786 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.674 -10.476 -2.205 1.00 0.00 H new ATOM 1258 N GLU A 82 -2.801 -14.121 -3.798 1.00 0.00 N ATOM 1259 CA GLU A 82 -3.730 -15.229 -4.010 1.00 0.00 C ATOM 1260 C GLU A 82 -3.184 -16.255 -5.001 1.00 0.00 C ATOM 1261 O GLU A 82 -3.228 -17.458 -4.747 1.00 0.00 O ATOM 1262 CB GLU A 82 -5.069 -14.694 -4.516 1.00 0.00 C ATOM 1263 CG GLU A 82 -4.928 -13.563 -5.525 1.00 0.00 C ATOM 1264 CD GLU A 82 -5.728 -13.805 -6.790 1.00 0.00 C ATOM 1265 OE1 GLU A 82 -5.275 -14.604 -7.636 1.00 0.00 O ATOM 1266 OE2 GLU A 82 -6.809 -13.196 -6.934 1.00 0.00 O ATOM 0 H GLU A 82 -3.197 -13.202 -3.996 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.864 -15.730 -3.051 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.628 -15.510 -4.973 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.655 -14.342 -3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.254 -12.630 -5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.876 -13.441 -5.783 1.00 0.00 H new ATOM 1273 N GLN A 83 -2.679 -15.777 -6.134 1.00 0.00 N ATOM 1274 CA GLN A 83 -2.137 -16.660 -7.161 1.00 0.00 C ATOM 1275 C GLN A 83 -0.616 -16.720 -7.083 1.00 0.00 C ATOM 1276 O GLN A 83 0.039 -17.293 -7.953 1.00 0.00 O ATOM 1277 CB GLN A 83 -2.567 -16.180 -8.549 1.00 0.00 C ATOM 1278 CG GLN A 83 -2.977 -17.307 -9.483 1.00 0.00 C ATOM 1279 CD GLN A 83 -3.910 -16.841 -10.583 1.00 0.00 C ATOM 1280 OE1 GLN A 83 -3.468 -16.440 -11.660 1.00 0.00 O ATOM 1281 NE2 GLN A 83 -5.210 -16.892 -10.317 1.00 0.00 N ATOM 0 H GLN A 83 -2.634 -14.784 -6.364 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.530 -17.662 -6.988 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.401 -15.486 -8.442 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.746 -15.624 -9.002 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.085 -17.746 -9.930 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -3.465 -18.093 -8.906 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.532 -17.231 -9.411 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -5.886 -16.592 -11.019 1.00 0.00 H new ATOM 1290 N ASN A 84 -0.060 -16.110 -6.042 1.00 0.00 N ATOM 1291 CA ASN A 84 1.379 -16.073 -5.851 1.00 0.00 C ATOM 1292 C ASN A 84 2.011 -15.086 -6.819 1.00 0.00 C ATOM 1293 O ASN A 84 3.212 -15.137 -7.085 1.00 0.00 O ATOM 1294 CB ASN A 84 1.994 -17.464 -6.031 1.00 0.00 C ATOM 1295 CG ASN A 84 3.117 -17.731 -5.049 1.00 0.00 C ATOM 1296 OD1 ASN A 84 4.247 -17.281 -5.243 1.00 0.00 O ATOM 1297 ND2 ASN A 84 2.812 -18.466 -3.986 1.00 0.00 N ATOM 0 H ASN A 84 -0.592 -15.632 -5.314 1.00 0.00 H new ATOM 0 HA ASN A 84 1.579 -15.745 -4.831 1.00 0.00 H new ATOM 0 HB2 ASN A 84 1.219 -18.220 -5.906 1.00 0.00 H new ATOM 0 HB3 ASN A 84 2.374 -17.562 -7.048 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.527 -18.678 -3.290 1.00 0.00 H new ATOM 0 HD22 ASN A 84 1.863 -18.819 -3.865 1.00 0.00 H new ATOM 1304 N THR A 85 1.189 -14.179 -7.338 1.00 0.00 N ATOM 1305 CA THR A 85 1.658 -13.170 -8.270 1.00 0.00 C ATOM 1306 C THR A 85 2.272 -11.992 -7.521 1.00 0.00 C ATOM 1307 O THR A 85 3.032 -11.211 -8.094 1.00 0.00 O ATOM 1308 CB THR A 85 0.510 -12.688 -9.161 1.00 0.00 C ATOM 1309 OG1 THR A 85 -0.743 -13.014 -8.586 1.00 0.00 O ATOM 1310 CG2 THR A 85 0.544 -13.281 -10.553 1.00 0.00 C ATOM 0 H THR A 85 0.193 -14.126 -7.126 1.00 0.00 H new ATOM 0 HA THR A 85 2.425 -13.619 -8.901 1.00 0.00 H new ATOM 0 HB THR A 85 0.639 -11.609 -9.239 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.463 -12.696 -9.170 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.296 -12.898 -11.132 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.478 -13.006 -11.043 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.475 -14.367 -10.488 1.00 0.00 H new ATOM 1318 N LEU A 86 1.929 -11.873 -6.234 1.00 0.00 N ATOM 1319 CA LEU A 86 2.433 -10.796 -5.380 1.00 0.00 C ATOM 1320 C LEU A 86 3.834 -10.344 -5.788 1.00 0.00 C ATOM 1321 O LEU A 86 4.102 -9.146 -5.885 1.00 0.00 O ATOM 1322 CB LEU A 86 2.442 -11.247 -3.921 1.00 0.00 C ATOM 1323 CG LEU A 86 3.004 -10.223 -2.936 1.00 0.00 C ATOM 1324 CD1 LEU A 86 2.050 -9.047 -2.790 1.00 0.00 C ATOM 1325 CD2 LEU A 86 3.275 -10.870 -1.586 1.00 0.00 C ATOM 0 H LEU A 86 1.298 -12.518 -5.758 1.00 0.00 H new ATOM 0 HA LEU A 86 1.763 -9.945 -5.502 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.422 -11.493 -3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.026 -12.164 -3.843 1.00 0.00 H new ATOM 0 HG LEU A 86 3.950 -9.850 -3.328 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.465 -8.327 -2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.912 -8.568 -3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.088 -9.403 -2.421 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.675 -10.124 -0.899 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.346 -11.274 -1.183 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.999 -11.676 -1.708 1.00 0.00 H new ATOM 1337 N GLN A 87 4.726 -11.302 -6.031 1.00 0.00 N ATOM 1338 CA GLN A 87 6.091 -10.975 -6.432 1.00 0.00 C ATOM 1339 C GLN A 87 6.084 -10.046 -7.639 1.00 0.00 C ATOM 1340 O GLN A 87 6.623 -8.944 -7.585 1.00 0.00 O ATOM 1341 CB GLN A 87 6.885 -12.241 -6.759 1.00 0.00 C ATOM 1342 CG GLN A 87 8.246 -11.955 -7.378 1.00 0.00 C ATOM 1343 CD GLN A 87 9.149 -13.173 -7.396 1.00 0.00 C ATOM 1344 OE1 GLN A 87 9.422 -13.742 -8.452 1.00 0.00 O ATOM 1345 NE2 GLN A 87 9.618 -13.579 -6.221 1.00 0.00 N ATOM 0 H GLN A 87 4.531 -12.300 -5.958 1.00 0.00 H new ATOM 0 HA GLN A 87 6.572 -10.470 -5.595 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.023 -12.821 -5.846 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.305 -12.859 -7.444 1.00 0.00 H new ATOM 0 HG2 GLN A 87 8.108 -11.595 -8.398 1.00 0.00 H new ATOM 0 HG3 GLN A 87 8.733 -11.155 -6.821 1.00 0.00 H new ATOM 0 HE21 GLN A 87 9.365 -13.077 -5.370 1.00 0.00 H new ATOM 0 HE22 GLN A 87 10.231 -14.393 -6.170 1.00 0.00 H new ATOM 1354 N GLU A 88 5.459 -10.497 -8.725 1.00 0.00 N ATOM 1355 CA GLU A 88 5.371 -9.705 -9.949 1.00 0.00 C ATOM 1356 C GLU A 88 5.002 -8.254 -9.642 1.00 0.00 C ATOM 1357 O GLU A 88 5.333 -7.345 -10.402 1.00 0.00 O ATOM 1358 CB GLU A 88 4.339 -10.314 -10.900 1.00 0.00 C ATOM 1359 CG GLU A 88 4.908 -11.399 -11.801 1.00 0.00 C ATOM 1360 CD GLU A 88 4.156 -11.521 -13.112 1.00 0.00 C ATOM 1361 OE1 GLU A 88 4.144 -10.539 -13.884 1.00 0.00 O ATOM 1362 OE2 GLU A 88 3.578 -12.599 -13.366 1.00 0.00 O ATOM 0 H GLU A 88 5.005 -11.409 -8.782 1.00 0.00 H new ATOM 0 HA GLU A 88 6.351 -9.715 -10.427 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.520 -10.732 -10.315 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.917 -9.523 -11.520 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.956 -11.183 -12.006 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.876 -12.355 -11.278 1.00 0.00 H new ATOM 1369 N PHE A 89 4.312 -8.049 -8.524 1.00 0.00 N ATOM 1370 CA PHE A 89 3.895 -6.717 -8.112 1.00 0.00 C ATOM 1371 C PHE A 89 4.844 -6.139 -7.064 1.00 0.00 C ATOM 1372 O PHE A 89 4.968 -4.921 -6.931 1.00 0.00 O ATOM 1373 CB PHE A 89 2.469 -6.770 -7.557 1.00 0.00 C ATOM 1374 CG PHE A 89 1.933 -5.438 -7.117 1.00 0.00 C ATOM 1375 CD1 PHE A 89 2.408 -4.830 -5.966 1.00 0.00 C ATOM 1376 CD2 PHE A 89 0.947 -4.798 -7.850 1.00 0.00 C ATOM 1377 CE1 PHE A 89 1.912 -3.608 -5.556 1.00 0.00 C ATOM 1378 CE2 PHE A 89 0.447 -3.576 -7.445 1.00 0.00 C ATOM 1379 CZ PHE A 89 0.930 -2.980 -6.297 1.00 0.00 C ATOM 0 H PHE A 89 4.030 -8.793 -7.886 1.00 0.00 H new ATOM 0 HA PHE A 89 3.922 -6.065 -8.985 1.00 0.00 H new ATOM 0 HB2 PHE A 89 1.808 -7.181 -8.320 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.445 -7.457 -6.711 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.175 -5.317 -5.383 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.565 -5.260 -8.748 1.00 0.00 H new ATOM 0 HE1 PHE A 89 2.291 -3.144 -4.657 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.321 -3.087 -8.026 1.00 0.00 H new ATOM 0 HZ PHE A 89 0.541 -2.024 -5.979 1.00 0.00 H new ATOM 1389 N LEU A 90 5.506 -7.017 -6.316 1.00 0.00 N ATOM 1390 CA LEU A 90 6.435 -6.588 -5.276 1.00 0.00 C ATOM 1391 C LEU A 90 7.879 -6.606 -5.769 1.00 0.00 C ATOM 1392 O LEU A 90 8.482 -5.556 -5.989 1.00 0.00 O ATOM 1393 CB LEU A 90 6.300 -7.487 -4.047 1.00 0.00 C ATOM 1394 CG LEU A 90 5.218 -7.067 -3.050 1.00 0.00 C ATOM 1395 CD1 LEU A 90 5.222 -7.987 -1.840 1.00 0.00 C ATOM 1396 CD2 LEU A 90 5.420 -5.620 -2.624 1.00 0.00 C ATOM 0 H LEU A 90 5.416 -8.029 -6.411 1.00 0.00 H new ATOM 0 HA LEU A 90 6.181 -5.562 -5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.090 -8.503 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.259 -7.514 -3.529 1.00 0.00 H new ATOM 0 HG LEU A 90 4.247 -7.149 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.446 -7.673 -1.142 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.029 -9.011 -2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.194 -7.938 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.642 -5.337 -1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 90 6.397 -5.512 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.366 -4.972 -3.499 1.00 0.00 H new