USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 650 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 54 ASN : amide:sc= -6.25! C(o=-8.8!,f=-6.1!) USER MOD Set 1.2: A 58 ASN : amide:sc= -2.6 K(o=-8.8,f=-7.9!) USER MOD Set 2.1: A 8 TYR OH : rot 7:sc= -1.39! USER MOD Set 2.2: A 40 TYR OH : rot 130:sc= 0.108 USER MOD Set 3.1: A 6 TYR OH : rot 116:sc= 0.567 USER MOD Set 3.2: A 37 TYR OH : rot 180:sc= 0.411 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.942 K(o=-0.94,f=-1.6) USER MOD Single : A 14 GLN : amide:sc= -0.219 X(o=-0.22,f=0) USER MOD Single : A 17 SER OG : rot -167:sc= -4.34! USER MOD Single : A 18 SER OG : rot -23:sc= 0.232 USER MOD Single : A 20 GLN : amide:sc= -1.71! C(o=-1.7!,f=-1.9!) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -82:sc= 0.866 USER MOD Single : A 32 HIS : no HE2:sc= -14.3! C(o=-14!,f=-13!) USER MOD Single : A 34 THR OG1 : rot -101:sc= 0.496 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.163 X(o=-0.16,f=-0.36) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -7.21! C(o=-7.2!,f=-5.9!) USER MOD Single : A 49 ASN : amide:sc= -1.97 K(o=-2,f=-10!) USER MOD Single : A 50 SER OG : rot -144:sc= 0.146 USER MOD Single : A 53 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.038) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -1.56 K(o=-1.6,f=-8.3!) USER MOD Single : A 94 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.0895) USER MOD ----------------------------------------------------------------- ATOM 79 N TYR A 6 9.137 3.137 -6.364 1.00 0.00 N ATOM 80 CA TYR A 6 8.555 2.264 -7.419 1.00 0.00 C ATOM 81 C TYR A 6 7.477 3.030 -8.179 1.00 0.00 C ATOM 82 O TYR A 6 6.785 3.862 -7.627 1.00 0.00 O ATOM 83 CB TYR A 6 7.939 1.020 -6.773 1.00 0.00 C ATOM 84 CG TYR A 6 8.869 0.489 -5.712 1.00 0.00 C ATOM 85 CD1 TYR A 6 9.902 -0.385 -6.064 1.00 0.00 C ATOM 86 CD2 TYR A 6 8.696 0.872 -4.378 1.00 0.00 C ATOM 87 CE1 TYR A 6 10.765 -0.879 -5.078 1.00 0.00 C ATOM 88 CE2 TYR A 6 9.559 0.379 -3.390 1.00 0.00 C ATOM 89 CZ TYR A 6 10.595 -0.498 -3.742 1.00 0.00 C ATOM 90 OH TYR A 6 11.445 -0.989 -2.775 1.00 0.00 O ATOM 0 HA TYR A 6 9.341 1.961 -8.111 1.00 0.00 H new ATOM 0 HB2 TYR A 6 6.972 1.267 -6.334 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.760 0.256 -7.529 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.034 -0.679 -7.095 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.897 1.548 -4.109 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.563 -1.555 -5.349 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.426 0.674 -2.360 1.00 0.00 H new ATOM 0 HH TYR A 6 11.953 -0.250 -2.381 1.00 0.00 H new ATOM 100 N SER A 7 7.321 2.751 -9.444 1.00 0.00 N ATOM 101 CA SER A 7 6.278 3.461 -10.227 1.00 0.00 C ATOM 102 C SER A 7 4.980 3.407 -9.431 1.00 0.00 C ATOM 103 O SER A 7 4.893 2.719 -8.443 1.00 0.00 O ATOM 104 CB SER A 7 6.088 2.758 -11.570 1.00 0.00 C ATOM 105 OG SER A 7 7.015 3.284 -12.511 1.00 0.00 O ATOM 0 H SER A 7 7.869 2.066 -9.964 1.00 0.00 H new ATOM 0 HA SER A 7 6.569 4.496 -10.408 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.238 1.684 -11.456 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.068 2.901 -11.928 1.00 0.00 H new ATOM 0 HG SER A 7 6.897 2.834 -13.373 1.00 0.00 H new ATOM 111 N TYR A 8 3.972 4.124 -9.828 1.00 0.00 N ATOM 112 CA TYR A 8 2.707 4.085 -9.045 1.00 0.00 C ATOM 113 C TYR A 8 1.839 2.918 -9.517 1.00 0.00 C ATOM 114 O TYR A 8 0.689 2.791 -9.143 1.00 0.00 O ATOM 115 CB TYR A 8 1.977 5.415 -9.200 1.00 0.00 C ATOM 116 CG TYR A 8 2.822 6.494 -8.563 1.00 0.00 C ATOM 117 CD1 TYR A 8 3.469 6.241 -7.344 1.00 0.00 C ATOM 118 CD2 TYR A 8 2.980 7.732 -9.194 1.00 0.00 C ATOM 119 CE1 TYR A 8 4.270 7.226 -6.759 1.00 0.00 C ATOM 120 CE2 TYR A 8 3.780 8.719 -8.605 1.00 0.00 C ATOM 121 CZ TYR A 8 4.426 8.465 -7.389 1.00 0.00 C ATOM 122 OH TYR A 8 5.220 9.435 -6.813 1.00 0.00 O ATOM 0 H TYR A 8 3.965 4.729 -10.649 1.00 0.00 H new ATOM 0 HA TYR A 8 2.928 3.933 -7.989 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.809 5.636 -10.254 1.00 0.00 H new ATOM 0 HB3 TYR A 8 0.997 5.369 -8.724 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.348 5.285 -6.857 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.486 7.927 -10.134 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.768 7.030 -5.821 1.00 0.00 H new ATOM 0 HE2 TYR A 8 3.899 9.677 -9.089 1.00 0.00 H new ATOM 0 HH TYR A 8 5.686 9.058 -6.038 1.00 0.00 H new ATOM 132 N ALA A 9 2.400 2.046 -10.308 1.00 0.00 N ATOM 133 CA ALA A 9 1.641 0.855 -10.783 1.00 0.00 C ATOM 134 C ALA A 9 2.332 -0.389 -10.225 1.00 0.00 C ATOM 135 O ALA A 9 1.702 -1.365 -9.865 1.00 0.00 O ATOM 136 CB ALA A 9 1.648 0.812 -12.309 1.00 0.00 C ATOM 0 H ALA A 9 3.360 2.108 -10.648 1.00 0.00 H new ATOM 0 HA ALA A 9 0.606 0.901 -10.445 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.092 -0.061 -12.651 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.182 1.716 -12.701 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.676 0.750 -12.667 1.00 0.00 H new ATOM 142 N GLN A 10 3.633 -0.333 -10.122 1.00 0.00 N ATOM 143 CA GLN A 10 4.407 -1.469 -9.555 1.00 0.00 C ATOM 144 C GLN A 10 4.528 -1.228 -8.055 1.00 0.00 C ATOM 145 O GLN A 10 4.651 -2.143 -7.266 1.00 0.00 O ATOM 146 CB GLN A 10 5.800 -1.503 -10.190 1.00 0.00 C ATOM 147 CG GLN A 10 6.610 -2.650 -9.588 1.00 0.00 C ATOM 148 CD GLN A 10 8.092 -2.449 -9.906 1.00 0.00 C ATOM 149 OE1 GLN A 10 8.545 -2.779 -10.984 1.00 0.00 O ATOM 150 NE2 GLN A 10 8.872 -1.918 -9.006 1.00 0.00 N ATOM 0 H GLN A 10 4.198 0.465 -10.412 1.00 0.00 H new ATOM 0 HA GLN A 10 3.912 -2.420 -9.754 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.716 -1.631 -11.269 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.311 -0.555 -10.021 1.00 0.00 H new ATOM 0 HG2 GLN A 10 6.460 -2.688 -8.509 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.267 -3.603 -9.991 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.492 -1.641 -8.101 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.862 -1.780 -9.207 1.00 0.00 H new ATOM 159 N LEU A 11 4.459 0.017 -7.665 1.00 0.00 N ATOM 160 CA LEU A 11 4.529 0.367 -6.226 1.00 0.00 C ATOM 161 C LEU A 11 3.297 -0.225 -5.559 1.00 0.00 C ATOM 162 O LEU A 11 3.324 -0.658 -4.424 1.00 0.00 O ATOM 163 CB LEU A 11 4.516 1.890 -6.098 1.00 0.00 C ATOM 164 CG LEU A 11 4.359 2.305 -4.644 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.741 2.467 -4.021 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.625 3.643 -4.592 1.00 0.00 C ATOM 0 H LEU A 11 4.356 0.813 -8.295 1.00 0.00 H new ATOM 0 HA LEU A 11 5.434 -0.021 -5.758 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.441 2.302 -6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.699 2.303 -6.690 1.00 0.00 H new ATOM 0 HG LEU A 11 3.795 1.549 -4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.637 2.765 -2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.278 1.520 -4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.297 3.232 -4.563 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.506 3.952 -3.554 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.201 4.395 -5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.644 3.538 -5.054 1.00 0.00 H new ATOM 178 N ILE A 12 2.218 -0.262 -6.287 1.00 0.00 N ATOM 179 CA ILE A 12 0.959 -0.844 -5.746 1.00 0.00 C ATOM 180 C ILE A 12 1.097 -2.361 -5.703 1.00 0.00 C ATOM 181 O ILE A 12 0.825 -3.000 -4.707 1.00 0.00 O ATOM 182 CB ILE A 12 -0.208 -0.524 -6.672 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.038 0.855 -7.319 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.501 -0.562 -5.872 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.312 1.887 -6.254 1.00 0.00 C ATOM 0 H ILE A 12 2.153 0.089 -7.242 1.00 0.00 H new ATOM 0 HA ILE A 12 0.780 -0.429 -4.754 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.238 -1.268 -7.468 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.747 0.818 -8.074 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.957 1.143 -7.829 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.341 -0.334 -6.528 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.634 -1.555 -5.443 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.455 0.176 -5.071 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.432 2.865 -6.720 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.488 1.933 -5.515 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.243 1.603 -5.764 1.00 0.00 H new ATOM 197 N VAL A 13 1.492 -2.938 -6.802 1.00 0.00 N ATOM 198 CA VAL A 13 1.631 -4.415 -6.866 1.00 0.00 C ATOM 199 C VAL A 13 2.490 -4.897 -5.703 1.00 0.00 C ATOM 200 O VAL A 13 2.289 -5.968 -5.169 1.00 0.00 O ATOM 201 CB VAL A 13 2.291 -4.799 -8.180 1.00 0.00 C ATOM 202 CG1 VAL A 13 2.562 -6.301 -8.175 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.350 -4.436 -9.330 1.00 0.00 C ATOM 0 H VAL A 13 1.726 -2.445 -7.664 1.00 0.00 H new ATOM 0 HA VAL A 13 0.647 -4.878 -6.802 1.00 0.00 H new ATOM 0 HB VAL A 13 3.233 -4.265 -8.305 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.036 -6.588 -9.114 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.223 -6.549 -7.344 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.621 -6.840 -8.064 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.813 -4.707 -10.279 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.411 -4.978 -9.217 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.154 -3.364 -9.315 1.00 0.00 H new ATOM 213 N GLN A 14 3.439 -4.114 -5.294 1.00 0.00 N ATOM 214 CA GLN A 14 4.278 -4.530 -4.145 1.00 0.00 C ATOM 215 C GLN A 14 3.470 -4.300 -2.870 1.00 0.00 C ATOM 216 O GLN A 14 3.586 -5.022 -1.900 1.00 0.00 O ATOM 217 CB GLN A 14 5.551 -3.690 -4.105 1.00 0.00 C ATOM 218 CG GLN A 14 6.302 -3.968 -2.803 1.00 0.00 C ATOM 219 CD GLN A 14 7.509 -3.039 -2.711 1.00 0.00 C ATOM 220 OE1 GLN A 14 8.020 -2.788 -1.638 1.00 0.00 O ATOM 221 NE2 GLN A 14 7.991 -2.514 -3.803 1.00 0.00 N ATOM 0 H GLN A 14 3.670 -3.208 -5.702 1.00 0.00 H new ATOM 0 HA GLN A 14 4.557 -5.580 -4.237 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.184 -3.927 -4.960 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.303 -2.631 -4.176 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.643 -3.813 -1.949 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.626 -5.008 -2.771 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.561 -2.726 -4.703 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.798 -1.892 -3.757 1.00 0.00 H new ATOM 230 N ALA A 15 2.649 -3.282 -2.876 1.00 0.00 N ATOM 231 CA ALA A 15 1.820 -2.970 -1.681 1.00 0.00 C ATOM 232 C ALA A 15 0.905 -4.150 -1.344 1.00 0.00 C ATOM 233 O ALA A 15 1.002 -4.726 -0.279 1.00 0.00 O ATOM 234 CB ALA A 15 0.968 -1.731 -1.954 1.00 0.00 C ATOM 0 H ALA A 15 2.519 -2.650 -3.666 1.00 0.00 H new ATOM 0 HA ALA A 15 2.483 -2.782 -0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.362 -1.506 -1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.618 -0.884 -2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.316 -1.919 -2.807 1.00 0.00 H new ATOM 240 N ILE A 16 0.003 -4.514 -2.221 1.00 0.00 N ATOM 241 CA ILE A 16 -0.905 -5.654 -1.884 1.00 0.00 C ATOM 242 C ILE A 16 -0.115 -6.958 -1.802 1.00 0.00 C ATOM 243 O ILE A 16 -0.556 -7.922 -1.209 1.00 0.00 O ATOM 244 CB ILE A 16 -2.013 -5.816 -2.918 1.00 0.00 C ATOM 245 CG1 ILE A 16 -1.548 -5.379 -4.301 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.210 -4.971 -2.509 1.00 0.00 C ATOM 247 CD1 ILE A 16 -0.188 -5.981 -4.612 1.00 0.00 C ATOM 0 H ILE A 16 -0.143 -4.084 -3.134 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.357 -5.429 -0.918 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.286 -6.870 -2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.273 -5.692 -5.052 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.491 -4.291 -4.347 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.005 -5.085 -3.247 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.571 -5.299 -1.534 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.914 -3.923 -2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.133 -5.661 -5.603 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.537 -5.646 -3.870 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.257 -7.069 -4.586 1.00 0.00 H new ATOM 259 N SER A 17 1.045 -7.002 -2.384 1.00 0.00 N ATOM 260 CA SER A 17 1.850 -8.252 -2.318 1.00 0.00 C ATOM 261 C SER A 17 2.097 -8.580 -0.849 1.00 0.00 C ATOM 262 O SER A 17 2.457 -9.685 -0.495 1.00 0.00 O ATOM 263 CB SER A 17 3.192 -8.060 -3.033 1.00 0.00 C ATOM 264 OG SER A 17 3.086 -8.545 -4.365 1.00 0.00 O ATOM 0 H SER A 17 1.471 -6.233 -2.901 1.00 0.00 H new ATOM 0 HA SER A 17 1.312 -9.064 -2.808 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.467 -7.005 -3.038 1.00 0.00 H new ATOM 0 HB3 SER A 17 3.980 -8.593 -2.501 1.00 0.00 H new ATOM 0 HG SER A 17 3.980 -8.617 -4.759 1.00 0.00 H new ATOM 270 N SER A 18 1.904 -7.616 0.011 1.00 0.00 N ATOM 271 CA SER A 18 2.122 -7.858 1.463 1.00 0.00 C ATOM 272 C SER A 18 0.778 -7.867 2.192 1.00 0.00 C ATOM 273 O SER A 18 0.686 -8.297 3.325 1.00 0.00 O ATOM 274 CB SER A 18 3.006 -6.752 2.039 1.00 0.00 C ATOM 275 OG SER A 18 3.232 -7.001 3.420 1.00 0.00 O ATOM 0 H SER A 18 1.605 -6.672 -0.231 1.00 0.00 H new ATOM 0 HA SER A 18 2.612 -8.822 1.597 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.955 -6.714 1.505 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.527 -5.782 1.906 1.00 0.00 H new ATOM 0 HG SER A 18 2.518 -7.574 3.770 1.00 0.00 H new ATOM 281 N ALA A 19 -0.271 -7.404 1.563 1.00 0.00 N ATOM 282 CA ALA A 19 -1.592 -7.405 2.251 1.00 0.00 C ATOM 283 C ALA A 19 -1.956 -8.843 2.623 1.00 0.00 C ATOM 284 O ALA A 19 -1.539 -9.780 1.970 1.00 0.00 O ATOM 285 CB ALA A 19 -2.661 -6.832 1.319 1.00 0.00 C ATOM 0 H ALA A 19 -0.270 -7.030 0.614 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.538 -6.791 3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.626 -6.835 1.827 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.397 -5.810 1.047 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.723 -7.442 0.418 1.00 0.00 H new ATOM 291 N GLN A 20 -2.728 -9.027 3.663 1.00 0.00 N ATOM 292 CA GLN A 20 -3.115 -10.411 4.065 1.00 0.00 C ATOM 293 C GLN A 20 -3.471 -11.200 2.808 1.00 0.00 C ATOM 294 O GLN A 20 -2.735 -12.063 2.374 1.00 0.00 O ATOM 295 CB GLN A 20 -4.327 -10.354 4.996 1.00 0.00 C ATOM 296 CG GLN A 20 -3.869 -10.005 6.413 1.00 0.00 C ATOM 297 CD GLN A 20 -3.481 -8.527 6.476 1.00 0.00 C ATOM 298 OE1 GLN A 20 -4.268 -7.665 6.139 1.00 0.00 O ATOM 299 NE2 GLN A 20 -2.291 -8.195 6.899 1.00 0.00 N ATOM 0 H GLN A 20 -3.105 -8.282 4.249 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.289 -10.894 4.587 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.038 -9.609 4.639 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.844 -11.314 4.996 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.667 -10.213 7.126 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.020 -10.627 6.695 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.630 -8.919 7.182 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.022 -7.212 6.946 1.00 0.00 H new ATOM 308 N ASP A 21 -4.580 -10.889 2.202 1.00 0.00 N ATOM 309 CA ASP A 21 -4.964 -11.596 0.953 1.00 0.00 C ATOM 310 C ASP A 21 -4.388 -10.814 -0.229 1.00 0.00 C ATOM 311 O ASP A 21 -3.450 -11.236 -0.874 1.00 0.00 O ATOM 312 CB ASP A 21 -6.489 -11.654 0.841 1.00 0.00 C ATOM 313 CG ASP A 21 -6.896 -12.906 0.063 1.00 0.00 C ATOM 314 OD1 ASP A 21 -6.804 -12.879 -1.154 1.00 0.00 O ATOM 315 OD2 ASP A 21 -7.294 -13.870 0.696 1.00 0.00 O ATOM 0 H ASP A 21 -5.237 -10.176 2.518 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.576 -12.615 0.959 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.937 -11.669 1.835 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.861 -10.762 0.337 1.00 0.00 H new ATOM 320 N ARG A 22 -4.943 -9.664 -0.503 1.00 0.00 N ATOM 321 CA ARG A 22 -4.437 -8.827 -1.626 1.00 0.00 C ATOM 322 C ARG A 22 -5.300 -7.569 -1.730 1.00 0.00 C ATOM 323 O ARG A 22 -5.605 -7.103 -2.815 1.00 0.00 O ATOM 324 CB ARG A 22 -4.518 -9.617 -2.934 1.00 0.00 C ATOM 325 CG ARG A 22 -3.105 -9.913 -3.440 1.00 0.00 C ATOM 326 CD ARG A 22 -3.056 -11.330 -4.013 1.00 0.00 C ATOM 327 NE ARG A 22 -2.555 -12.270 -2.970 1.00 0.00 N ATOM 328 CZ ARG A 22 -3.090 -13.454 -2.848 1.00 0.00 C ATOM 329 NH1 ARG A 22 -4.277 -13.582 -2.323 1.00 0.00 N ATOM 330 NH2 ARG A 22 -2.439 -14.509 -3.253 1.00 0.00 N ATOM 0 H ARG A 22 -5.731 -9.267 0.008 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.399 -8.550 -1.443 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.061 -10.548 -2.776 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.072 -9.048 -3.681 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.822 -9.190 -4.205 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.387 -9.813 -2.626 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.049 -11.634 -4.345 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.405 -11.358 -4.887 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.794 -11.988 -2.352 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.787 -12.757 -2.008 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.695 -14.507 -2.228 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.511 -14.409 -3.665 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.857 -15.434 -3.157 1.00 0.00 H new ATOM 344 N GLN A 23 -5.716 -7.023 -0.614 1.00 0.00 N ATOM 345 CA GLN A 23 -6.583 -5.812 -0.667 1.00 0.00 C ATOM 346 C GLN A 23 -6.270 -4.846 0.482 1.00 0.00 C ATOM 347 O GLN A 23 -6.163 -5.233 1.630 1.00 0.00 O ATOM 348 CB GLN A 23 -8.051 -6.244 -0.572 1.00 0.00 C ATOM 349 CG GLN A 23 -8.403 -6.583 0.880 1.00 0.00 C ATOM 350 CD GLN A 23 -9.853 -7.064 0.954 1.00 0.00 C ATOM 351 OE1 GLN A 23 -10.665 -6.717 0.119 1.00 0.00 O ATOM 352 NE2 GLN A 23 -10.217 -7.853 1.927 1.00 0.00 N ATOM 0 H GLN A 23 -5.494 -7.362 0.322 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.392 -5.296 -1.608 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.698 -5.446 -0.935 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.226 -7.111 -1.209 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.733 -7.355 1.257 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.267 -5.706 1.513 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.537 -8.145 2.628 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.182 -8.178 1.986 1.00 0.00 H new ATOM 361 N LEU A 24 -6.173 -3.582 0.171 1.00 0.00 N ATOM 362 CA LEU A 24 -5.925 -2.554 1.210 1.00 0.00 C ATOM 363 C LEU A 24 -6.972 -1.465 1.017 1.00 0.00 C ATOM 364 O LEU A 24 -7.618 -1.398 -0.010 1.00 0.00 O ATOM 365 CB LEU A 24 -4.534 -1.906 1.054 1.00 0.00 C ATOM 366 CG LEU A 24 -3.670 -2.636 0.024 1.00 0.00 C ATOM 367 CD1 LEU A 24 -3.582 -4.120 0.374 1.00 0.00 C ATOM 368 CD2 LEU A 24 -4.269 -2.447 -1.370 1.00 0.00 C ATOM 0 H LEU A 24 -6.257 -3.217 -0.778 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.975 -3.022 2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.652 -0.865 0.755 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.025 -1.905 2.018 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.662 -2.220 0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.965 -4.632 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.136 -4.235 1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.582 -4.554 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.654 -2.967 -2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.280 -2.854 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.301 -1.384 -1.611 1.00 0.00 H new ATOM 380 N THR A 25 -7.128 -0.590 1.958 1.00 0.00 N ATOM 381 CA THR A 25 -8.110 0.500 1.761 1.00 0.00 C ATOM 382 C THR A 25 -7.439 1.512 0.842 1.00 0.00 C ATOM 383 O THR A 25 -6.285 1.356 0.503 1.00 0.00 O ATOM 384 CB THR A 25 -8.442 1.153 3.106 1.00 0.00 C ATOM 385 OG1 THR A 25 -7.239 1.567 3.738 1.00 0.00 O ATOM 386 CG2 THR A 25 -9.167 0.144 3.999 1.00 0.00 C ATOM 0 H THR A 25 -6.626 -0.580 2.846 1.00 0.00 H new ATOM 0 HA THR A 25 -9.041 0.128 1.333 1.00 0.00 H new ATOM 0 HB THR A 25 -9.084 2.018 2.942 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.449 1.987 4.598 1.00 0.00 H new ATOM 0 HG21 THR A 25 -9.403 0.609 4.956 1.00 0.00 H new ATOM 0 HG22 THR A 25 -10.089 -0.175 3.513 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.526 -0.722 4.165 1.00 0.00 H new ATOM 394 N LEU A 26 -8.110 2.537 0.418 1.00 0.00 N ATOM 395 CA LEU A 26 -7.413 3.499 -0.475 1.00 0.00 C ATOM 396 C LEU A 26 -6.181 4.021 0.266 1.00 0.00 C ATOM 397 O LEU A 26 -5.157 4.301 -0.324 1.00 0.00 O ATOM 398 CB LEU A 26 -8.338 4.659 -0.844 1.00 0.00 C ATOM 399 CG LEU A 26 -7.941 5.192 -2.222 1.00 0.00 C ATOM 400 CD1 LEU A 26 -9.151 5.852 -2.884 1.00 0.00 C ATOM 401 CD2 LEU A 26 -6.823 6.224 -2.061 1.00 0.00 C ATOM 0 H LEU A 26 -9.082 2.750 0.640 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.119 3.003 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.376 4.325 -0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.265 5.451 -0.098 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.593 4.368 -2.845 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.867 6.231 -3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.950 5.119 -2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.500 6.677 -2.263 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.537 6.606 -3.041 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.174 7.047 -1.439 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.960 5.755 -1.589 1.00 0.00 H new ATOM 413 N SER A 27 -6.274 4.133 1.565 1.00 0.00 N ATOM 414 CA SER A 27 -5.111 4.615 2.364 1.00 0.00 C ATOM 415 C SER A 27 -4.393 3.418 2.998 1.00 0.00 C ATOM 416 O SER A 27 -3.899 3.494 4.106 1.00 0.00 O ATOM 417 CB SER A 27 -5.604 5.541 3.470 1.00 0.00 C ATOM 418 OG SER A 27 -6.169 6.709 2.890 1.00 0.00 O ATOM 0 H SER A 27 -7.108 3.910 2.108 1.00 0.00 H new ATOM 0 HA SER A 27 -4.424 5.153 1.711 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.347 5.030 4.083 1.00 0.00 H new ATOM 0 HB3 SER A 27 -4.778 5.811 4.128 1.00 0.00 H new ATOM 0 HG SER A 27 -6.488 7.305 3.599 1.00 0.00 H new ATOM 424 N GLY A 28 -4.325 2.320 2.302 1.00 0.00 N ATOM 425 CA GLY A 28 -3.634 1.119 2.856 1.00 0.00 C ATOM 426 C GLY A 28 -2.257 1.035 2.219 1.00 0.00 C ATOM 427 O GLY A 28 -1.249 0.853 2.874 1.00 0.00 O ATOM 0 H GLY A 28 -4.719 2.200 1.369 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.549 1.195 3.940 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.208 0.217 2.644 1.00 0.00 H new ATOM 431 N ILE A 29 -2.228 1.182 0.931 1.00 0.00 N ATOM 432 CA ILE A 29 -0.957 1.135 0.183 1.00 0.00 C ATOM 433 C ILE A 29 0.011 2.135 0.781 1.00 0.00 C ATOM 434 O ILE A 29 1.212 1.956 0.767 1.00 0.00 O ATOM 435 CB ILE A 29 -1.256 1.528 -1.248 1.00 0.00 C ATOM 436 CG1 ILE A 29 0.014 1.434 -2.083 1.00 0.00 C ATOM 437 CG2 ILE A 29 -1.791 2.960 -1.295 1.00 0.00 C ATOM 438 CD1 ILE A 29 -0.198 2.196 -3.380 1.00 0.00 C ATOM 0 H ILE A 29 -3.055 1.336 0.354 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.517 0.139 0.229 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.008 0.850 -1.652 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.859 1.850 -1.534 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.252 0.391 -2.292 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.004 3.235 -2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.706 3.026 -0.706 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.045 3.641 -0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.705 2.137 -3.988 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.033 1.758 -3.927 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.418 3.240 -3.157 1.00 0.00 H new ATOM 450 N TYR A 30 -0.518 3.185 1.313 1.00 0.00 N ATOM 451 CA TYR A 30 0.338 4.218 1.933 1.00 0.00 C ATOM 452 C TYR A 30 0.949 3.636 3.195 1.00 0.00 C ATOM 453 O TYR A 30 2.137 3.723 3.420 1.00 0.00 O ATOM 454 CB TYR A 30 -0.523 5.436 2.242 1.00 0.00 C ATOM 455 CG TYR A 30 -1.301 5.785 0.993 1.00 0.00 C ATOM 456 CD1 TYR A 30 -0.748 5.521 -0.268 1.00 0.00 C ATOM 457 CD2 TYR A 30 -2.574 6.351 1.090 1.00 0.00 C ATOM 458 CE1 TYR A 30 -1.466 5.826 -1.428 1.00 0.00 C ATOM 459 CE2 TYR A 30 -3.293 6.656 -0.071 1.00 0.00 C ATOM 460 CZ TYR A 30 -2.740 6.394 -1.331 1.00 0.00 C ATOM 461 OH TYR A 30 -3.451 6.695 -2.473 1.00 0.00 O ATOM 0 H TYR A 30 -1.519 3.376 1.346 1.00 0.00 H new ATOM 0 HA TYR A 30 1.143 4.525 1.266 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.202 5.223 3.068 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.100 6.275 2.550 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.235 5.081 -0.343 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.003 6.553 2.060 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.037 5.623 -2.398 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.277 7.095 0.005 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.147 7.556 -2.830 1.00 0.00 H new ATOM 471 N ALA A 31 0.151 3.007 3.999 1.00 0.00 N ATOM 472 CA ALA A 31 0.693 2.379 5.227 1.00 0.00 C ATOM 473 C ALA A 31 1.624 1.236 4.813 1.00 0.00 C ATOM 474 O ALA A 31 2.445 0.780 5.584 1.00 0.00 O ATOM 475 CB ALA A 31 -0.456 1.827 6.074 1.00 0.00 C ATOM 0 H ALA A 31 -0.854 2.900 3.860 1.00 0.00 H new ATOM 0 HA ALA A 31 1.241 3.115 5.815 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.054 1.366 6.976 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.128 2.640 6.350 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.006 1.081 5.500 1.00 0.00 H new ATOM 481 N HIS A 32 1.503 0.770 3.592 1.00 0.00 N ATOM 482 CA HIS A 32 2.382 -0.339 3.132 1.00 0.00 C ATOM 483 C HIS A 32 3.781 0.206 2.806 1.00 0.00 C ATOM 484 O HIS A 32 4.734 -0.038 3.519 1.00 0.00 O ATOM 485 CB HIS A 32 1.774 -0.993 1.885 1.00 0.00 C ATOM 486 CG HIS A 32 2.759 -1.987 1.334 1.00 0.00 C ATOM 487 ND1 HIS A 32 2.517 -3.352 1.327 1.00 0.00 N ATOM 488 CD2 HIS A 32 4.007 -1.826 0.783 1.00 0.00 C ATOM 489 CE1 HIS A 32 3.595 -3.952 0.788 1.00 0.00 C ATOM 490 NE2 HIS A 32 4.532 -3.068 0.440 1.00 0.00 N ATOM 0 H HIS A 32 0.835 1.111 2.901 1.00 0.00 H new ATOM 0 HA HIS A 32 2.467 -1.084 3.924 1.00 0.00 H new ATOM 0 HB2 HIS A 32 0.837 -1.489 2.137 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.542 -0.236 1.136 1.00 0.00 H new ATOM 0 HD1 HIS A 32 1.676 -3.817 1.668 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.505 -0.879 0.638 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.690 -5.019 0.654 1.00 0.00 H new ATOM 498 N ILE A 33 3.912 0.942 1.732 1.00 0.00 N ATOM 499 CA ILE A 33 5.248 1.499 1.354 1.00 0.00 C ATOM 500 C ILE A 33 5.784 2.390 2.481 1.00 0.00 C ATOM 501 O ILE A 33 6.928 2.288 2.867 1.00 0.00 O ATOM 502 CB ILE A 33 5.102 2.315 0.063 1.00 0.00 C ATOM 503 CG1 ILE A 33 6.470 2.405 -0.640 1.00 0.00 C ATOM 504 CG2 ILE A 33 4.561 3.716 0.379 1.00 0.00 C ATOM 505 CD1 ILE A 33 7.224 3.668 -0.206 1.00 0.00 C ATOM 0 H ILE A 33 3.150 1.182 1.098 1.00 0.00 H new ATOM 0 HA ILE A 33 5.952 0.683 1.193 1.00 0.00 H new ATOM 0 HB ILE A 33 4.393 1.821 -0.601 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.064 1.522 -0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.329 2.414 -1.721 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.462 4.285 -0.545 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.586 3.630 0.858 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.250 4.230 1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.187 3.710 -0.715 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.637 4.549 -0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.384 3.644 0.872 1.00 0.00 H new ATOM 517 N THR A 34 4.975 3.265 3.010 1.00 0.00 N ATOM 518 CA THR A 34 5.469 4.156 4.104 1.00 0.00 C ATOM 519 C THR A 34 5.967 3.303 5.272 1.00 0.00 C ATOM 520 O THR A 34 6.801 3.726 6.048 1.00 0.00 O ATOM 521 CB THR A 34 4.341 5.070 4.596 1.00 0.00 C ATOM 522 OG1 THR A 34 3.373 4.295 5.291 1.00 0.00 O ATOM 523 CG2 THR A 34 3.683 5.775 3.408 1.00 0.00 C ATOM 0 H THR A 34 4.002 3.403 2.738 1.00 0.00 H new ATOM 0 HA THR A 34 6.283 4.769 3.716 1.00 0.00 H new ATOM 0 HB THR A 34 4.755 5.822 5.268 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.606 4.128 4.705 1.00 0.00 H new ATOM 0 HG21 THR A 34 2.883 6.422 3.767 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.427 6.374 2.883 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.270 5.031 2.727 1.00 0.00 H new ATOM 531 N LYS A 35 5.467 2.107 5.403 1.00 0.00 N ATOM 532 CA LYS A 35 5.921 1.234 6.522 1.00 0.00 C ATOM 533 C LYS A 35 7.239 0.562 6.138 1.00 0.00 C ATOM 534 O LYS A 35 8.080 0.300 6.975 1.00 0.00 O ATOM 535 CB LYS A 35 4.863 0.164 6.805 1.00 0.00 C ATOM 536 CG LYS A 35 5.407 -0.832 7.831 1.00 0.00 C ATOM 537 CD LYS A 35 5.926 -0.074 9.052 1.00 0.00 C ATOM 538 CE LYS A 35 4.815 0.816 9.613 1.00 0.00 C ATOM 539 NZ LYS A 35 5.317 1.539 10.815 1.00 0.00 N ATOM 0 H LYS A 35 4.766 1.696 4.786 1.00 0.00 H new ATOM 0 HA LYS A 35 6.067 1.839 7.417 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.952 0.629 7.181 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.599 -0.355 5.883 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.623 -1.529 8.128 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.209 -1.424 7.389 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.262 -0.778 9.814 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.788 0.533 8.776 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.489 1.529 8.856 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.947 0.211 9.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.562 2.144 11.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.608 0.850 11.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 6.132 2.128 10.550 1.00 0.00 H new ATOM 553 N HIS A 36 7.427 0.279 4.878 1.00 0.00 N ATOM 554 CA HIS A 36 8.692 -0.376 4.444 1.00 0.00 C ATOM 555 C HIS A 36 9.568 0.636 3.702 1.00 0.00 C ATOM 556 O HIS A 36 10.550 0.282 3.080 1.00 0.00 O ATOM 557 CB HIS A 36 8.367 -1.549 3.518 1.00 0.00 C ATOM 558 CG HIS A 36 8.178 -2.793 4.342 1.00 0.00 C ATOM 559 ND1 HIS A 36 9.160 -3.270 5.194 1.00 0.00 N ATOM 560 CD2 HIS A 36 7.124 -3.665 4.459 1.00 0.00 C ATOM 561 CE1 HIS A 36 8.682 -4.382 5.781 1.00 0.00 C ATOM 562 NE2 HIS A 36 7.445 -4.669 5.369 1.00 0.00 N ATOM 0 H HIS A 36 6.760 0.473 4.131 1.00 0.00 H new ATOM 0 HA HIS A 36 9.228 -0.742 5.319 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.464 -1.337 2.946 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.173 -1.694 2.799 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.188 -3.584 3.926 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.233 -4.972 6.499 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.861 -5.454 5.658 1.00 0.00 H new ATOM 570 N TYR A 37 9.225 1.892 3.767 1.00 0.00 N ATOM 571 CA TYR A 37 10.042 2.922 3.069 1.00 0.00 C ATOM 572 C TYR A 37 10.081 4.194 3.929 1.00 0.00 C ATOM 573 O TYR A 37 9.048 4.734 4.272 1.00 0.00 O ATOM 574 CB TYR A 37 9.422 3.229 1.700 1.00 0.00 C ATOM 575 CG TYR A 37 10.364 2.777 0.624 1.00 0.00 C ATOM 576 CD1 TYR A 37 10.437 1.419 0.308 1.00 0.00 C ATOM 577 CD2 TYR A 37 11.162 3.701 -0.054 1.00 0.00 C ATOM 578 CE1 TYR A 37 11.307 0.978 -0.687 1.00 0.00 C ATOM 579 CE2 TYR A 37 12.036 3.263 -1.054 1.00 0.00 C ATOM 580 CZ TYR A 37 12.110 1.899 -1.371 1.00 0.00 C ATOM 581 OH TYR A 37 12.973 1.465 -2.356 1.00 0.00 O ATOM 0 H TYR A 37 8.415 2.249 4.273 1.00 0.00 H new ATOM 0 HA TYR A 37 11.057 2.554 2.920 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.463 2.721 1.599 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.228 4.297 1.606 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.818 0.709 0.836 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.104 4.751 0.193 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.362 -0.073 -0.930 1.00 0.00 H new ATOM 0 HE2 TYR A 37 12.654 3.975 -1.582 1.00 0.00 H new ATOM 0 HH TYR A 37 13.455 2.232 -2.730 1.00 0.00 H new ATOM 591 N PRO A 38 11.272 4.626 4.269 1.00 0.00 N ATOM 592 CA PRO A 38 11.471 5.823 5.110 1.00 0.00 C ATOM 593 C PRO A 38 11.259 7.107 4.300 1.00 0.00 C ATOM 594 O PRO A 38 10.731 8.081 4.799 1.00 0.00 O ATOM 595 CB PRO A 38 12.926 5.699 5.573 1.00 0.00 C ATOM 596 CG PRO A 38 13.634 4.780 4.548 1.00 0.00 C ATOM 597 CD PRO A 38 12.528 3.971 3.847 1.00 0.00 C ATOM 0 HA PRO A 38 10.766 5.879 5.939 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.405 6.677 5.614 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.980 5.276 6.576 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.201 5.368 3.826 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.342 4.118 5.046 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.644 3.995 2.763 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.551 2.923 4.147 1.00 0.00 H new ATOM 605 N TYR A 39 11.665 7.121 3.060 1.00 0.00 N ATOM 606 CA TYR A 39 11.481 8.353 2.240 1.00 0.00 C ATOM 607 C TYR A 39 9.993 8.696 2.162 1.00 0.00 C ATOM 608 O TYR A 39 9.611 9.850 2.159 1.00 0.00 O ATOM 609 CB TYR A 39 12.026 8.126 0.828 1.00 0.00 C ATOM 610 CG TYR A 39 12.099 9.450 0.106 1.00 0.00 C ATOM 611 CD1 TYR A 39 10.920 10.135 -0.217 1.00 0.00 C ATOM 612 CD2 TYR A 39 13.341 9.996 -0.232 1.00 0.00 C ATOM 613 CE1 TYR A 39 10.986 11.367 -0.878 1.00 0.00 C ATOM 614 CE2 TYR A 39 13.407 11.228 -0.894 1.00 0.00 C ATOM 615 CZ TYR A 39 12.231 11.915 -1.216 1.00 0.00 C ATOM 616 OH TYR A 39 12.299 13.133 -1.863 1.00 0.00 O ATOM 0 H TYR A 39 12.113 6.339 2.582 1.00 0.00 H new ATOM 0 HA TYR A 39 12.023 9.176 2.705 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.014 7.669 0.876 1.00 0.00 H new ATOM 0 HB3 TYR A 39 11.382 7.436 0.283 1.00 0.00 H new ATOM 0 HD1 TYR A 39 9.961 9.713 0.044 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.249 9.468 0.017 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.078 11.895 -1.128 1.00 0.00 H new ATOM 0 HE2 TYR A 39 14.366 11.649 -1.156 1.00 0.00 H new ATOM 0 HH TYR A 39 13.237 13.367 -2.022 1.00 0.00 H new ATOM 626 N TYR A 40 9.147 7.705 2.106 1.00 0.00 N ATOM 627 CA TYR A 40 7.684 7.977 2.035 1.00 0.00 C ATOM 628 C TYR A 40 7.117 8.068 3.453 1.00 0.00 C ATOM 629 O TYR A 40 6.020 7.622 3.722 1.00 0.00 O ATOM 630 CB TYR A 40 6.991 6.838 1.284 1.00 0.00 C ATOM 631 CG TYR A 40 6.894 7.180 -0.185 1.00 0.00 C ATOM 632 CD1 TYR A 40 7.868 7.987 -0.788 1.00 0.00 C ATOM 633 CD2 TYR A 40 5.825 6.690 -0.943 1.00 0.00 C ATOM 634 CE1 TYR A 40 7.769 8.302 -2.150 1.00 0.00 C ATOM 635 CE2 TYR A 40 5.726 7.003 -2.303 1.00 0.00 C ATOM 636 CZ TYR A 40 6.698 7.811 -2.906 1.00 0.00 C ATOM 637 OH TYR A 40 6.602 8.122 -4.248 1.00 0.00 O ATOM 0 H TYR A 40 9.406 6.718 2.106 1.00 0.00 H new ATOM 0 HA TYR A 40 7.512 8.917 1.511 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.549 5.911 1.415 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.995 6.672 1.695 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.694 8.366 -0.204 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.074 6.069 -0.477 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.519 8.924 -2.616 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.901 6.622 -2.887 1.00 0.00 H new ATOM 0 HH TYR A 40 6.457 7.302 -4.764 1.00 0.00 H new ATOM 647 N ARG A 41 7.856 8.641 4.364 1.00 0.00 N ATOM 648 CA ARG A 41 7.360 8.757 5.764 1.00 0.00 C ATOM 649 C ARG A 41 6.888 10.189 6.025 1.00 0.00 C ATOM 650 O ARG A 41 5.801 10.414 6.519 1.00 0.00 O ATOM 651 CB ARG A 41 8.489 8.405 6.735 1.00 0.00 C ATOM 652 CG ARG A 41 8.005 8.592 8.174 1.00 0.00 C ATOM 653 CD ARG A 41 8.918 7.817 9.126 1.00 0.00 C ATOM 654 NE ARG A 41 8.194 6.622 9.646 1.00 0.00 N ATOM 655 CZ ARG A 41 8.214 6.352 10.924 1.00 0.00 C ATOM 656 NH1 ARG A 41 9.204 6.769 11.665 1.00 0.00 N ATOM 657 NH2 ARG A 41 7.243 5.663 11.459 1.00 0.00 N ATOM 0 H ARG A 41 8.783 9.034 4.198 1.00 0.00 H new ATOM 0 HA ARG A 41 6.526 8.070 5.911 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.808 7.375 6.579 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.355 9.039 6.547 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.006 9.650 8.434 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.978 8.240 8.272 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.825 7.508 8.606 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.226 8.457 9.953 1.00 0.00 H new ATOM 0 HE ARG A 41 7.683 6.016 9.004 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.963 7.306 11.246 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.219 6.558 12.663 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.470 5.336 10.879 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.257 5.451 12.457 1.00 0.00 H new ATOM 671 N THR A 42 7.694 11.161 5.694 1.00 0.00 N ATOM 672 CA THR A 42 7.287 12.575 5.922 1.00 0.00 C ATOM 673 C THR A 42 7.211 13.306 4.578 1.00 0.00 C ATOM 674 O THR A 42 7.639 14.436 4.448 1.00 0.00 O ATOM 675 CB THR A 42 8.313 13.266 6.825 1.00 0.00 C ATOM 676 OG1 THR A 42 9.419 12.398 7.031 1.00 0.00 O ATOM 677 CG2 THR A 42 7.668 13.600 8.171 1.00 0.00 C ATOM 0 H THR A 42 8.616 11.036 5.276 1.00 0.00 H new ATOM 0 HA THR A 42 6.310 12.598 6.404 1.00 0.00 H new ATOM 0 HB THR A 42 8.655 14.186 6.350 1.00 0.00 H new ATOM 0 HG1 THR A 42 10.078 12.839 7.607 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.399 14.092 8.813 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.819 14.265 8.013 1.00 0.00 H new ATOM 0 HG23 THR A 42 7.326 12.682 8.648 1.00 0.00 H new ATOM 685 N ALA A 43 6.666 12.668 3.578 1.00 0.00 N ATOM 686 CA ALA A 43 6.556 13.320 2.243 1.00 0.00 C ATOM 687 C ALA A 43 5.616 12.498 1.359 1.00 0.00 C ATOM 688 O ALA A 43 6.024 11.551 0.716 1.00 0.00 O ATOM 689 CB ALA A 43 7.938 13.392 1.591 1.00 0.00 C ATOM 0 H ALA A 43 6.291 11.721 3.629 1.00 0.00 H new ATOM 0 HA ALA A 43 6.161 14.329 2.360 1.00 0.00 H new ATOM 0 HB1 ALA A 43 7.855 13.869 0.615 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.609 13.974 2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.336 12.385 1.470 1.00 0.00 H new ATOM 695 N ASP A 44 4.360 12.848 1.324 1.00 0.00 N ATOM 696 CA ASP A 44 3.398 12.081 0.485 1.00 0.00 C ATOM 697 C ASP A 44 2.468 13.051 -0.243 1.00 0.00 C ATOM 698 O ASP A 44 1.350 12.719 -0.582 1.00 0.00 O ATOM 699 CB ASP A 44 2.568 11.161 1.381 1.00 0.00 C ATOM 700 CG ASP A 44 1.800 12.005 2.399 1.00 0.00 C ATOM 701 OD1 ASP A 44 2.441 12.593 3.255 1.00 0.00 O ATOM 702 OD2 ASP A 44 0.584 12.051 2.305 1.00 0.00 O ATOM 0 H ASP A 44 3.959 13.631 1.840 1.00 0.00 H new ATOM 0 HA ASP A 44 3.946 11.486 -0.245 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.873 10.577 0.778 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.217 10.452 1.895 1.00 0.00 H new ATOM 707 N LYS A 45 2.919 14.250 -0.484 1.00 0.00 N ATOM 708 CA LYS A 45 2.056 15.240 -1.185 1.00 0.00 C ATOM 709 C LYS A 45 2.275 15.131 -2.697 1.00 0.00 C ATOM 710 O LYS A 45 2.777 16.041 -3.326 1.00 0.00 O ATOM 711 CB LYS A 45 2.420 16.649 -0.714 1.00 0.00 C ATOM 712 CG LYS A 45 1.172 17.534 -0.723 1.00 0.00 C ATOM 713 CD LYS A 45 1.131 18.371 0.556 1.00 0.00 C ATOM 714 CE LYS A 45 0.640 17.506 1.719 1.00 0.00 C ATOM 715 NZ LYS A 45 1.271 17.969 2.987 1.00 0.00 N ATOM 0 H LYS A 45 3.847 14.587 -0.226 1.00 0.00 H new ATOM 0 HA LYS A 45 1.009 15.038 -0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.842 16.609 0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.184 17.074 -1.365 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.182 18.186 -1.597 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.276 16.917 -0.795 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.123 18.766 0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.470 19.227 0.422 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.445 17.567 1.798 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.888 16.460 1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.936 17.380 3.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.305 17.889 2.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.013 18.961 3.161 1.00 0.00 H new ATOM 729 N GLY A 46 1.903 14.026 -3.285 1.00 0.00 N ATOM 730 CA GLY A 46 2.092 13.867 -4.756 1.00 0.00 C ATOM 731 C GLY A 46 1.591 12.489 -5.198 1.00 0.00 C ATOM 732 O GLY A 46 0.634 12.373 -5.939 1.00 0.00 O ATOM 0 H GLY A 46 1.478 13.229 -2.812 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.550 14.649 -5.288 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.146 13.980 -5.011 1.00 0.00 H new ATOM 736 N TRP A 47 2.235 11.441 -4.756 1.00 0.00 N ATOM 737 CA TRP A 47 1.802 10.070 -5.156 1.00 0.00 C ATOM 738 C TRP A 47 0.534 9.673 -4.402 1.00 0.00 C ATOM 739 O TRP A 47 0.030 8.579 -4.552 1.00 0.00 O ATOM 740 CB TRP A 47 2.911 9.063 -4.850 1.00 0.00 C ATOM 741 CG TRP A 47 3.030 8.842 -3.376 1.00 0.00 C ATOM 742 CD1 TRP A 47 3.435 9.770 -2.475 1.00 0.00 C ATOM 743 CD2 TRP A 47 2.775 7.622 -2.619 1.00 0.00 C ATOM 744 NE1 TRP A 47 3.445 9.197 -1.217 1.00 0.00 N ATOM 745 CE2 TRP A 47 3.050 7.876 -1.254 1.00 0.00 C ATOM 746 CE3 TRP A 47 2.336 6.332 -2.979 1.00 0.00 C ATOM 747 CZ2 TRP A 47 2.903 6.887 -0.285 1.00 0.00 C ATOM 748 CZ3 TRP A 47 2.188 5.337 -2.004 1.00 0.00 C ATOM 749 CH2 TRP A 47 2.473 5.613 -0.661 1.00 0.00 C ATOM 0 H TRP A 47 3.043 11.475 -4.135 1.00 0.00 H new ATOM 0 HA TRP A 47 1.596 10.070 -6.226 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.699 8.117 -5.349 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.859 9.427 -5.246 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.706 10.790 -2.703 1.00 0.00 H new ATOM 0 HE1 TRP A 47 3.712 9.691 -0.365 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.113 6.109 -4.012 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.120 7.104 0.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 1.852 4.351 -2.290 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.360 4.840 0.084 1.00 0.00 H new ATOM 760 N GLN A 48 0.014 10.548 -3.591 1.00 0.00 N ATOM 761 CA GLN A 48 -1.220 10.212 -2.830 1.00 0.00 C ATOM 762 C GLN A 48 -2.380 9.966 -3.799 1.00 0.00 C ATOM 763 O GLN A 48 -2.856 8.858 -3.944 1.00 0.00 O ATOM 764 CB GLN A 48 -1.573 11.375 -1.902 1.00 0.00 C ATOM 765 CG GLN A 48 -2.410 10.857 -0.732 1.00 0.00 C ATOM 766 CD GLN A 48 -1.625 9.783 0.025 1.00 0.00 C ATOM 767 OE1 GLN A 48 -2.204 8.944 0.685 1.00 0.00 O ATOM 768 NE2 GLN A 48 -0.320 9.772 -0.043 1.00 0.00 N ATOM 0 H GLN A 48 0.389 11.481 -3.422 1.00 0.00 H new ATOM 0 HA GLN A 48 -1.046 9.310 -2.243 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.663 11.848 -1.531 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.127 12.137 -2.450 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.663 11.678 -0.061 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.350 10.444 -1.099 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.168 10.476 -0.597 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.211 9.059 0.458 1.00 0.00 H new ATOM 777 N ASN A 49 -2.845 10.995 -4.453 1.00 0.00 N ATOM 778 CA ASN A 49 -3.984 10.827 -5.403 1.00 0.00 C ATOM 779 C ASN A 49 -3.535 10.035 -6.635 1.00 0.00 C ATOM 780 O ASN A 49 -4.347 9.573 -7.413 1.00 0.00 O ATOM 781 CB ASN A 49 -4.484 12.206 -5.841 1.00 0.00 C ATOM 782 CG ASN A 49 -3.313 13.030 -6.375 1.00 0.00 C ATOM 783 OD1 ASN A 49 -2.369 12.488 -6.917 1.00 0.00 O ATOM 784 ND2 ASN A 49 -3.332 14.329 -6.244 1.00 0.00 N ATOM 0 H ASN A 49 -2.486 11.946 -4.371 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.785 10.282 -4.904 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.248 12.099 -6.611 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.949 12.719 -5.000 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.555 14.889 -6.596 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.124 14.784 -5.789 1.00 0.00 H new ATOM 791 N SER A 50 -2.255 9.872 -6.823 1.00 0.00 N ATOM 792 CA SER A 50 -1.772 9.110 -8.010 1.00 0.00 C ATOM 793 C SER A 50 -2.075 7.620 -7.825 1.00 0.00 C ATOM 794 O SER A 50 -2.320 6.907 -8.775 1.00 0.00 O ATOM 795 CB SER A 50 -0.263 9.307 -8.163 1.00 0.00 C ATOM 796 OG SER A 50 0.044 9.529 -9.533 1.00 0.00 O ATOM 0 H SER A 50 -1.524 10.232 -6.209 1.00 0.00 H new ATOM 0 HA SER A 50 -2.280 9.474 -8.903 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.068 10.154 -7.562 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.269 8.429 -7.797 1.00 0.00 H new ATOM 0 HG SER A 50 0.906 9.114 -9.747 1.00 0.00 H new ATOM 802 N ILE A 51 -2.052 7.147 -6.611 1.00 0.00 N ATOM 803 CA ILE A 51 -2.330 5.702 -6.357 1.00 0.00 C ATOM 804 C ILE A 51 -3.817 5.410 -6.601 1.00 0.00 C ATOM 805 O ILE A 51 -4.165 4.563 -7.398 1.00 0.00 O ATOM 806 CB ILE A 51 -1.919 5.381 -4.905 1.00 0.00 C ATOM 807 CG1 ILE A 51 -0.465 4.880 -4.874 1.00 0.00 C ATOM 808 CG2 ILE A 51 -2.821 4.298 -4.292 1.00 0.00 C ATOM 809 CD1 ILE A 51 0.355 5.520 -5.999 1.00 0.00 C ATOM 0 H ILE A 51 -1.852 7.700 -5.778 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.757 5.070 -7.036 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.021 6.297 -4.323 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.015 5.116 -3.910 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.447 3.795 -4.977 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.504 4.096 -3.269 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.855 4.644 -4.290 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.745 3.385 -4.882 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.380 5.151 -5.957 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.085 5.262 -6.962 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.354 6.603 -5.879 1.00 0.00 H new ATOM 821 N ARG A 52 -4.694 6.098 -5.928 1.00 0.00 N ATOM 822 CA ARG A 52 -6.148 5.845 -6.134 1.00 0.00 C ATOM 823 C ARG A 52 -6.465 5.854 -7.631 1.00 0.00 C ATOM 824 O ARG A 52 -7.175 5.003 -8.132 1.00 0.00 O ATOM 825 CB ARG A 52 -6.958 6.941 -5.439 1.00 0.00 C ATOM 826 CG ARG A 52 -8.441 6.771 -5.773 1.00 0.00 C ATOM 827 CD ARG A 52 -8.811 7.691 -6.939 1.00 0.00 C ATOM 828 NE ARG A 52 -8.400 9.087 -6.620 1.00 0.00 N ATOM 829 CZ ARG A 52 -9.288 9.954 -6.221 1.00 0.00 C ATOM 830 NH1 ARG A 52 -10.138 9.635 -5.283 1.00 0.00 N ATOM 831 NH2 ARG A 52 -9.327 11.142 -6.761 1.00 0.00 N ATOM 0 H ARG A 52 -4.470 6.823 -5.246 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.408 4.873 -5.714 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.809 6.889 -4.360 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.612 7.923 -5.762 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.649 5.733 -6.034 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.051 7.008 -4.901 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -8.319 7.355 -7.852 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -9.885 7.650 -7.122 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.423 9.365 -6.714 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.108 8.707 -4.862 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.832 10.314 -4.972 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.663 11.391 -7.494 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.021 11.821 -6.450 1.00 0.00 H new ATOM 845 N HIS A 53 -5.948 6.811 -8.350 1.00 0.00 N ATOM 846 CA HIS A 53 -6.219 6.883 -9.814 1.00 0.00 C ATOM 847 C HIS A 53 -5.410 5.813 -10.554 1.00 0.00 C ATOM 848 O HIS A 53 -5.780 5.370 -11.621 1.00 0.00 O ATOM 849 CB HIS A 53 -5.815 8.266 -10.331 1.00 0.00 C ATOM 850 CG HIS A 53 -6.543 8.563 -11.612 1.00 0.00 C ATOM 851 ND1 HIS A 53 -5.949 9.264 -12.652 1.00 0.00 N ATOM 852 CD2 HIS A 53 -7.815 8.270 -12.037 1.00 0.00 C ATOM 853 CE1 HIS A 53 -6.856 9.367 -13.640 1.00 0.00 C ATOM 854 NE2 HIS A 53 -8.010 8.778 -13.318 1.00 0.00 N ATOM 0 H HIS A 53 -5.347 7.550 -7.985 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.281 6.712 -9.990 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.048 9.026 -9.585 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.738 8.302 -10.497 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.553 7.728 -11.464 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.673 9.866 -14.580 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.853 8.714 -13.888 1.00 0.00 H new ATOM 862 N ASN A 54 -4.299 5.407 -10.002 1.00 0.00 N ATOM 863 CA ASN A 54 -3.459 4.382 -10.687 1.00 0.00 C ATOM 864 C ASN A 54 -4.145 3.016 -10.648 1.00 0.00 C ATOM 865 O ASN A 54 -4.561 2.494 -11.663 1.00 0.00 O ATOM 866 CB ASN A 54 -2.096 4.289 -9.998 1.00 0.00 C ATOM 867 CG ASN A 54 -1.048 4.981 -10.871 1.00 0.00 C ATOM 868 OD1 ASN A 54 -0.866 4.625 -12.019 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.343 5.960 -10.376 1.00 0.00 N ATOM 0 H ASN A 54 -3.937 5.740 -9.108 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.324 4.679 -11.727 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.138 4.760 -9.016 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.825 3.245 -9.840 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.359 6.425 -10.952 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.494 6.261 -9.413 1.00 0.00 H new ATOM 876 N LEU A 55 -4.250 2.421 -9.491 1.00 0.00 N ATOM 877 CA LEU A 55 -4.895 1.074 -9.416 1.00 0.00 C ATOM 878 C LEU A 55 -6.297 1.124 -10.031 1.00 0.00 C ATOM 879 O LEU A 55 -6.879 0.102 -10.337 1.00 0.00 O ATOM 880 CB LEU A 55 -4.997 0.582 -7.962 1.00 0.00 C ATOM 881 CG LEU A 55 -4.910 1.750 -6.980 1.00 0.00 C ATOM 882 CD1 LEU A 55 -5.881 1.514 -5.827 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.484 1.842 -6.436 1.00 0.00 C ATOM 0 H LEU A 55 -3.922 2.801 -8.603 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.271 0.378 -9.976 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.939 0.052 -7.819 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.197 -0.129 -7.758 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.169 2.679 -7.488 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.821 2.346 -5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.897 1.440 -6.216 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.620 0.588 -5.315 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.415 2.674 -5.735 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.229 0.914 -5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.790 2.004 -7.261 1.00 0.00 H new ATOM 895 N SER A 56 -6.845 2.292 -10.231 1.00 0.00 N ATOM 896 CA SER A 56 -8.201 2.372 -10.838 1.00 0.00 C ATOM 897 C SER A 56 -8.063 2.242 -12.353 1.00 0.00 C ATOM 898 O SER A 56 -8.788 1.511 -12.997 1.00 0.00 O ATOM 899 CB SER A 56 -8.842 3.718 -10.496 1.00 0.00 C ATOM 900 OG SER A 56 -9.549 4.207 -11.628 1.00 0.00 O ATOM 0 H SER A 56 -6.415 3.188 -10.002 1.00 0.00 H new ATOM 0 HA SER A 56 -8.830 1.572 -10.449 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.521 3.605 -9.651 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.075 4.432 -10.196 1.00 0.00 H new ATOM 0 HG SER A 56 -9.961 5.069 -11.409 1.00 0.00 H new ATOM 906 N LEU A 57 -7.128 2.947 -12.924 1.00 0.00 N ATOM 907 CA LEU A 57 -6.924 2.870 -14.392 1.00 0.00 C ATOM 908 C LEU A 57 -5.912 1.766 -14.712 1.00 0.00 C ATOM 909 O LEU A 57 -5.431 1.654 -15.822 1.00 0.00 O ATOM 910 CB LEU A 57 -6.395 4.214 -14.896 1.00 0.00 C ATOM 911 CG LEU A 57 -5.059 4.533 -14.223 1.00 0.00 C ATOM 912 CD1 LEU A 57 -3.910 4.037 -15.103 1.00 0.00 C ATOM 913 CD2 LEU A 57 -4.936 6.047 -14.034 1.00 0.00 C ATOM 0 H LEU A 57 -6.494 3.576 -12.432 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.870 2.642 -14.883 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.269 4.182 -15.978 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.117 5.002 -14.682 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.013 4.037 -13.254 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.959 4.265 -14.622 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.997 2.959 -15.242 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.954 4.533 -16.073 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.985 6.278 -13.554 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.982 6.540 -15.005 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.754 6.403 -13.408 1.00 0.00 H new ATOM 925 N ASN A 58 -5.581 0.950 -13.746 1.00 0.00 N ATOM 926 CA ASN A 58 -4.596 -0.144 -14.001 1.00 0.00 C ATOM 927 C ASN A 58 -5.316 -1.354 -14.600 1.00 0.00 C ATOM 928 O ASN A 58 -6.529 -1.417 -14.627 1.00 0.00 O ATOM 929 CB ASN A 58 -3.908 -0.553 -12.694 1.00 0.00 C ATOM 930 CG ASN A 58 -2.576 0.190 -12.568 1.00 0.00 C ATOM 931 OD1 ASN A 58 -1.590 -0.376 -12.139 1.00 0.00 O ATOM 932 ND2 ASN A 58 -2.505 1.442 -12.929 1.00 0.00 N ATOM 0 H ASN A 58 -5.948 0.993 -12.795 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.842 0.216 -14.701 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.549 -0.320 -11.844 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.739 -1.630 -12.680 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.622 1.946 -12.851 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -3.333 1.917 -13.289 1.00 0.00 H new ATOM 939 N ARG A 59 -4.573 -2.311 -15.092 1.00 0.00 N ATOM 940 CA ARG A 59 -5.211 -3.511 -15.702 1.00 0.00 C ATOM 941 C ARG A 59 -5.426 -4.598 -14.646 1.00 0.00 C ATOM 942 O ARG A 59 -6.486 -5.185 -14.560 1.00 0.00 O ATOM 943 CB ARG A 59 -4.311 -4.060 -16.812 1.00 0.00 C ATOM 944 CG ARG A 59 -5.024 -5.218 -17.516 1.00 0.00 C ATOM 945 CD ARG A 59 -6.205 -4.676 -18.325 1.00 0.00 C ATOM 946 NE ARG A 59 -6.249 -5.352 -19.652 1.00 0.00 N ATOM 947 CZ ARG A 59 -7.395 -5.716 -20.162 1.00 0.00 C ATOM 948 NH1 ARG A 59 -8.207 -4.817 -20.647 1.00 0.00 N ATOM 949 NH2 ARG A 59 -7.726 -6.978 -20.186 1.00 0.00 N ATOM 0 H ARG A 59 -3.553 -2.312 -15.097 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.177 -3.221 -16.115 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.077 -3.273 -17.529 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.365 -4.402 -16.393 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.329 -5.741 -18.173 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -5.375 -5.943 -16.782 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.137 -4.847 -17.787 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -6.106 -3.599 -18.457 1.00 0.00 H new ATOM 0 HE ARG A 59 -5.384 -5.531 -20.162 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -7.947 -3.831 -20.628 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -9.102 -5.100 -21.046 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.090 -7.679 -19.807 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.621 -7.263 -20.584 1.00 0.00 H new ATOM 963 N TYR A 60 -4.431 -4.889 -13.850 1.00 0.00 N ATOM 964 CA TYR A 60 -4.607 -5.960 -12.823 1.00 0.00 C ATOM 965 C TYR A 60 -5.299 -5.403 -11.582 1.00 0.00 C ATOM 966 O TYR A 60 -5.909 -6.131 -10.831 1.00 0.00 O ATOM 967 CB TYR A 60 -3.256 -6.564 -12.408 1.00 0.00 C ATOM 968 CG TYR A 60 -2.127 -5.578 -12.602 1.00 0.00 C ATOM 969 CD1 TYR A 60 -2.177 -4.302 -12.023 1.00 0.00 C ATOM 970 CD2 TYR A 60 -1.021 -5.950 -13.373 1.00 0.00 C ATOM 971 CE1 TYR A 60 -1.119 -3.407 -12.220 1.00 0.00 C ATOM 972 CE2 TYR A 60 0.035 -5.057 -13.567 1.00 0.00 C ATOM 973 CZ TYR A 60 -0.014 -3.783 -12.993 1.00 0.00 C ATOM 974 OH TYR A 60 1.027 -2.898 -13.186 1.00 0.00 O ATOM 0 H TYR A 60 -3.516 -4.439 -13.864 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.222 -6.740 -13.271 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.298 -6.870 -11.363 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.062 -7.462 -12.995 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -3.029 -4.011 -11.427 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.983 -6.932 -13.820 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.155 -2.424 -11.775 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.889 -5.350 -14.160 1.00 0.00 H new ATOM 0 HH TYR A 60 1.714 -3.318 -13.745 1.00 0.00 H new ATOM 984 N PHE A 61 -5.214 -4.131 -11.341 1.00 0.00 N ATOM 985 CA PHE A 61 -5.870 -3.589 -10.126 1.00 0.00 C ATOM 986 C PHE A 61 -7.368 -3.424 -10.375 1.00 0.00 C ATOM 987 O PHE A 61 -7.801 -3.003 -11.429 1.00 0.00 O ATOM 988 CB PHE A 61 -5.219 -2.263 -9.744 1.00 0.00 C ATOM 989 CG PHE A 61 -3.817 -2.555 -9.267 1.00 0.00 C ATOM 990 CD1 PHE A 61 -3.617 -3.417 -8.181 1.00 0.00 C ATOM 991 CD2 PHE A 61 -2.717 -1.987 -9.917 1.00 0.00 C ATOM 992 CE1 PHE A 61 -2.322 -3.704 -7.746 1.00 0.00 C ATOM 993 CE2 PHE A 61 -1.421 -2.276 -9.482 1.00 0.00 C ATOM 994 CZ PHE A 61 -1.226 -3.135 -8.396 1.00 0.00 C ATOM 0 H PHE A 61 -4.726 -3.450 -11.923 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.743 -4.283 -9.295 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.198 -1.588 -10.599 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.793 -1.768 -8.961 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.465 -3.860 -7.680 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.869 -1.324 -10.756 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.168 -4.366 -6.907 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.571 -1.837 -9.984 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.224 -3.359 -8.059 1.00 0.00 H new ATOM 1004 N ILE A 62 -8.155 -3.780 -9.400 1.00 0.00 N ATOM 1005 CA ILE A 62 -9.635 -3.686 -9.530 1.00 0.00 C ATOM 1006 C ILE A 62 -10.188 -2.942 -8.316 1.00 0.00 C ATOM 1007 O ILE A 62 -9.466 -2.640 -7.393 1.00 0.00 O ATOM 1008 CB ILE A 62 -10.234 -5.104 -9.585 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -10.220 -5.747 -8.190 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -9.407 -5.982 -10.530 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -11.276 -6.853 -8.131 1.00 0.00 C ATOM 0 H ILE A 62 -7.829 -4.139 -8.502 1.00 0.00 H new ATOM 0 HA ILE A 62 -9.897 -3.151 -10.442 1.00 0.00 H new ATOM 0 HB ILE A 62 -11.261 -5.026 -9.943 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.234 -6.159 -7.977 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -10.423 -4.994 -7.428 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.836 -6.984 -10.565 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -9.416 -5.549 -11.530 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.380 -6.039 -10.168 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.268 -7.311 -7.142 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.260 -6.427 -8.326 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -11.053 -7.610 -8.883 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.463 -2.662 -8.296 1.00 0.00 N ATOM 1024 CA LYS A 63 -12.049 -1.950 -7.122 1.00 0.00 C ATOM 1025 C LYS A 63 -13.217 -2.770 -6.569 1.00 0.00 C ATOM 1026 O LYS A 63 -13.956 -3.388 -7.311 1.00 0.00 O ATOM 1027 CB LYS A 63 -12.555 -0.570 -7.553 1.00 0.00 C ATOM 1028 CG LYS A 63 -11.373 0.293 -8.002 1.00 0.00 C ATOM 1029 CD LYS A 63 -10.978 1.246 -6.871 1.00 0.00 C ATOM 1030 CE LYS A 63 -11.119 2.694 -7.349 1.00 0.00 C ATOM 1031 NZ LYS A 63 -11.220 3.597 -6.168 1.00 0.00 N ATOM 0 H LYS A 63 -12.123 -2.894 -9.038 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.286 -1.828 -6.353 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.273 -0.673 -8.367 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.077 -0.088 -6.726 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.528 -0.341 -8.270 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.641 0.861 -8.893 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.611 1.076 -6.000 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.951 1.053 -6.561 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.261 2.972 -7.961 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.004 2.797 -7.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.316 4.581 -6.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.052 3.336 -5.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.363 3.505 -5.587 1.00 0.00 H new ATOM 1045 N VAL A 64 -13.393 -2.787 -5.275 1.00 0.00 N ATOM 1046 CA VAL A 64 -14.516 -3.573 -4.689 1.00 0.00 C ATOM 1047 C VAL A 64 -15.524 -2.622 -4.034 1.00 0.00 C ATOM 1048 O VAL A 64 -15.512 -2.445 -2.832 1.00 0.00 O ATOM 1049 CB VAL A 64 -13.969 -4.538 -3.636 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -15.038 -5.576 -3.291 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -12.732 -5.247 -4.190 1.00 0.00 C ATOM 0 H VAL A 64 -12.809 -2.292 -4.600 1.00 0.00 H new ATOM 0 HA VAL A 64 -15.011 -4.138 -5.479 1.00 0.00 H new ATOM 0 HB VAL A 64 -13.699 -3.982 -2.738 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -14.648 -6.264 -2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -15.921 -5.072 -2.898 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -15.308 -6.133 -4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -12.341 -5.935 -3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.003 -5.803 -5.087 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -11.970 -4.508 -4.437 1.00 0.00 H new ATOM 1218 N PHE A 76 -12.221 0.013 -0.638 1.00 0.00 N ATOM 1219 CA PHE A 76 -11.386 -1.210 -0.477 1.00 0.00 C ATOM 1220 C PHE A 76 -11.172 -1.858 -1.842 1.00 0.00 C ATOM 1221 O PHE A 76 -12.086 -2.393 -2.437 1.00 0.00 O ATOM 1222 CB PHE A 76 -12.093 -2.198 0.448 1.00 0.00 C ATOM 1223 CG PHE A 76 -11.132 -2.652 1.515 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -9.852 -3.092 1.160 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -11.520 -2.630 2.858 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -8.958 -3.511 2.152 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -10.626 -3.049 3.851 1.00 0.00 C ATOM 1228 CZ PHE A 76 -9.345 -3.490 3.497 1.00 0.00 C ATOM 0 HA PHE A 76 -10.423 -0.937 -0.045 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.965 -1.728 0.903 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.453 -3.054 -0.122 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.554 -3.108 0.122 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.509 -2.290 3.129 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.970 -3.851 1.880 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.924 -3.032 4.889 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.655 -3.814 4.262 1.00 0.00 H new ATOM 1238 N TRP A 77 -9.974 -1.803 -2.352 1.00 0.00 N ATOM 1239 CA TRP A 77 -9.709 -2.403 -3.687 1.00 0.00 C ATOM 1240 C TRP A 77 -8.602 -3.460 -3.578 1.00 0.00 C ATOM 1241 O TRP A 77 -7.917 -3.555 -2.579 1.00 0.00 O ATOM 1242 CB TRP A 77 -9.278 -1.293 -4.641 1.00 0.00 C ATOM 1243 CG TRP A 77 -7.939 -0.781 -4.231 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -7.722 0.332 -3.495 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -6.630 -1.346 -4.520 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -6.359 0.488 -3.316 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -5.645 -0.522 -3.931 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -6.208 -2.482 -5.231 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -4.288 -0.813 -4.046 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -4.843 -2.780 -5.346 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -3.886 -1.948 -4.756 1.00 0.00 C ATOM 0 H TRP A 77 -9.168 -1.369 -1.902 1.00 0.00 H new ATOM 0 HA TRP A 77 -10.611 -2.886 -4.062 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -9.238 -1.671 -5.662 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -10.008 -0.484 -4.629 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -8.486 0.991 -3.110 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -5.934 1.254 -2.794 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -6.939 -3.129 -5.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -3.552 -0.167 -3.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -4.529 -3.657 -5.893 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -2.836 -2.183 -4.849 1.00 0.00 H new ATOM 1262 N ARG A 78 -8.424 -4.254 -4.604 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.362 -5.309 -4.566 1.00 0.00 C ATOM 1264 C ARG A 78 -6.908 -5.628 -5.989 1.00 0.00 C ATOM 1265 O ARG A 78 -7.545 -5.248 -6.944 1.00 0.00 O ATOM 1266 CB ARG A 78 -7.927 -6.580 -3.938 1.00 0.00 C ATOM 1267 CG ARG A 78 -9.388 -6.744 -4.349 1.00 0.00 C ATOM 1268 CD ARG A 78 -9.953 -8.014 -3.716 1.00 0.00 C ATOM 1269 NE ARG A 78 -10.153 -9.046 -4.771 1.00 0.00 N ATOM 1270 CZ ARG A 78 -9.306 -10.031 -4.885 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -8.897 -10.663 -3.819 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -8.867 -10.382 -6.062 1.00 0.00 N ATOM 0 H ARG A 78 -8.967 -4.218 -5.467 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.519 -4.946 -3.978 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.348 -7.446 -4.260 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -7.847 -6.529 -2.852 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.967 -5.877 -4.030 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.468 -6.799 -5.435 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.271 -8.387 -2.952 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.899 -7.797 -3.220 1.00 0.00 H new ATOM 0 HE ARG A 78 -10.951 -8.982 -5.403 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.240 -10.386 -2.899 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.235 -11.434 -3.906 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.186 -9.886 -6.894 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -8.205 -11.153 -6.150 1.00 0.00 H new ATOM 1286 N ILE A 79 -5.824 -6.341 -6.141 1.00 0.00 N ATOM 1287 CA ILE A 79 -5.353 -6.686 -7.519 1.00 0.00 C ATOM 1288 C ILE A 79 -5.859 -8.081 -7.900 1.00 0.00 C ATOM 1289 O ILE A 79 -6.325 -8.833 -7.067 1.00 0.00 O ATOM 1290 CB ILE A 79 -3.822 -6.633 -7.591 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.386 -6.813 -9.048 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -3.210 -7.740 -6.736 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -2.133 -5.984 -9.322 1.00 0.00 C ATOM 0 H ILE A 79 -5.247 -6.698 -5.379 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.752 -5.957 -8.225 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.479 -5.670 -7.213 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -3.187 -7.866 -9.250 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.189 -6.506 -9.718 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.123 -7.689 -6.798 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.521 -7.613 -5.699 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.549 -8.710 -7.100 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.829 -6.117 -10.360 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.346 -4.931 -9.138 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.329 -6.312 -8.663 1.00 0.00 H new ATOM 1305 N ASP A 80 -5.789 -8.422 -9.159 1.00 0.00 N ATOM 1306 CA ASP A 80 -6.283 -9.751 -9.609 1.00 0.00 C ATOM 1307 C ASP A 80 -5.517 -10.862 -8.888 1.00 0.00 C ATOM 1308 O ASP A 80 -4.346 -10.719 -8.596 1.00 0.00 O ATOM 1309 CB ASP A 80 -6.078 -9.885 -11.119 1.00 0.00 C ATOM 1310 CG ASP A 80 -7.288 -10.583 -11.743 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -8.382 -10.057 -11.618 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -7.101 -11.632 -12.338 1.00 0.00 O ATOM 0 H ASP A 80 -5.408 -7.831 -9.898 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.344 -9.838 -9.375 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.943 -8.900 -11.566 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -5.172 -10.455 -11.324 1.00 0.00 H new ATOM 1317 N PRO A 81 -6.211 -11.937 -8.618 1.00 0.00 N ATOM 1318 CA PRO A 81 -5.637 -13.101 -7.922 1.00 0.00 C ATOM 1319 C PRO A 81 -4.841 -13.985 -8.890 1.00 0.00 C ATOM 1320 O PRO A 81 -3.822 -14.544 -8.536 1.00 0.00 O ATOM 1321 CB PRO A 81 -6.869 -13.847 -7.404 1.00 0.00 C ATOM 1322 CG PRO A 81 -8.054 -13.410 -8.300 1.00 0.00 C ATOM 1323 CD PRO A 81 -7.636 -12.091 -8.977 1.00 0.00 C ATOM 0 HA PRO A 81 -4.940 -12.819 -7.133 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.720 -14.926 -7.456 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -7.061 -13.602 -6.359 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.277 -14.173 -9.045 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.957 -13.271 -7.706 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.772 -12.137 -10.057 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.231 -11.252 -8.616 1.00 0.00 H new ATOM 1331 N ALA A 82 -5.303 -14.130 -10.105 1.00 0.00 N ATOM 1332 CA ALA A 82 -4.576 -14.995 -11.079 1.00 0.00 C ATOM 1333 C ALA A 82 -3.525 -14.180 -11.835 1.00 0.00 C ATOM 1334 O ALA A 82 -2.753 -14.716 -12.604 1.00 0.00 O ATOM 1335 CB ALA A 82 -5.570 -15.590 -12.077 1.00 0.00 C ATOM 0 H ALA A 82 -6.150 -13.688 -10.463 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.078 -15.796 -10.532 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.038 -16.222 -12.788 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.308 -16.188 -11.543 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.073 -14.785 -12.613 1.00 0.00 H new ATOM 1341 N SER A 83 -3.473 -12.896 -11.619 1.00 0.00 N ATOM 1342 CA SER A 83 -2.454 -12.077 -12.324 1.00 0.00 C ATOM 1343 C SER A 83 -1.498 -11.504 -11.289 1.00 0.00 C ATOM 1344 O SER A 83 -0.459 -10.983 -11.618 1.00 0.00 O ATOM 1345 CB SER A 83 -3.128 -10.930 -13.082 1.00 0.00 C ATOM 1346 OG SER A 83 -3.057 -11.185 -14.478 1.00 0.00 O ATOM 0 H SER A 83 -4.089 -12.382 -10.989 1.00 0.00 H new ATOM 0 HA SER A 83 -1.915 -12.699 -13.039 1.00 0.00 H new ATOM 0 HB2 SER A 83 -4.168 -10.834 -12.770 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.637 -9.986 -12.848 1.00 0.00 H new ATOM 0 HG SER A 83 -3.489 -10.454 -14.967 1.00 0.00 H new ATOM 1352 N GLU A 84 -1.845 -11.591 -10.036 1.00 0.00 N ATOM 1353 CA GLU A 84 -0.959 -11.037 -8.982 1.00 0.00 C ATOM 1354 C GLU A 84 0.407 -11.713 -9.032 1.00 0.00 C ATOM 1355 O GLU A 84 1.428 -11.060 -8.993 1.00 0.00 O ATOM 1356 CB GLU A 84 -1.592 -11.265 -7.609 1.00 0.00 C ATOM 1357 CG GLU A 84 -1.913 -12.751 -7.430 1.00 0.00 C ATOM 1358 CD GLU A 84 -0.747 -13.444 -6.722 1.00 0.00 C ATOM 1359 OE1 GLU A 84 0.154 -12.747 -6.286 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -0.776 -14.660 -6.626 1.00 0.00 O ATOM 0 H GLU A 84 -2.705 -12.023 -9.698 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.832 -9.968 -9.154 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -0.912 -10.933 -6.825 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.502 -10.672 -7.514 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.827 -12.869 -6.848 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.091 -13.215 -8.400 1.00 0.00 H new ATOM 1367 N ALA A 85 0.444 -13.012 -9.111 1.00 0.00 N ATOM 1368 CA ALA A 85 1.760 -13.710 -9.149 1.00 0.00 C ATOM 1369 C ALA A 85 2.582 -13.213 -10.344 1.00 0.00 C ATOM 1370 O ALA A 85 3.780 -13.403 -10.402 1.00 0.00 O ATOM 1371 CB ALA A 85 1.527 -15.217 -9.278 1.00 0.00 C ATOM 0 H ALA A 85 -0.374 -13.619 -9.151 1.00 0.00 H new ATOM 0 HA ALA A 85 2.307 -13.499 -8.230 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.487 -15.732 -9.306 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.950 -15.570 -8.423 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.977 -15.423 -10.197 1.00 0.00 H new ATOM 1377 N LYS A 86 1.953 -12.578 -11.295 1.00 0.00 N ATOM 1378 CA LYS A 86 2.707 -12.072 -12.480 1.00 0.00 C ATOM 1379 C LYS A 86 3.146 -10.626 -12.229 1.00 0.00 C ATOM 1380 O LYS A 86 4.316 -10.302 -12.292 1.00 0.00 O ATOM 1381 CB LYS A 86 1.808 -12.130 -13.717 1.00 0.00 C ATOM 1382 CG LYS A 86 2.627 -11.794 -14.966 1.00 0.00 C ATOM 1383 CD LYS A 86 1.703 -11.227 -16.044 1.00 0.00 C ATOM 1384 CE LYS A 86 1.479 -9.734 -15.793 1.00 0.00 C ATOM 1385 NZ LYS A 86 2.522 -8.948 -16.511 1.00 0.00 N ATOM 0 H LYS A 86 0.951 -12.387 -11.304 1.00 0.00 H new ATOM 0 HA LYS A 86 3.588 -12.692 -12.643 1.00 0.00 H new ATOM 0 HB2 LYS A 86 1.370 -13.123 -13.814 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.982 -11.426 -13.612 1.00 0.00 H new ATOM 0 HG2 LYS A 86 3.404 -11.070 -14.720 1.00 0.00 H new ATOM 0 HG3 LYS A 86 3.129 -12.688 -15.336 1.00 0.00 H new ATOM 0 HD2 LYS A 86 2.142 -11.379 -17.030 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.749 -11.755 -16.035 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.487 -9.441 -16.137 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.521 -9.524 -14.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.370 -7.933 -16.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 3.463 -9.221 -16.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.461 -9.141 -17.531 1.00 0.00 H new ATOM 1399 N LEU A 87 2.215 -9.753 -11.953 1.00 0.00 N ATOM 1400 CA LEU A 87 2.573 -8.326 -11.704 1.00 0.00 C ATOM 1401 C LEU A 87 3.653 -8.238 -10.637 1.00 0.00 C ATOM 1402 O LEU A 87 4.656 -7.574 -10.798 1.00 0.00 O ATOM 1403 CB LEU A 87 1.345 -7.533 -11.226 1.00 0.00 C ATOM 1404 CG LEU A 87 0.332 -8.440 -10.508 1.00 0.00 C ATOM 1405 CD1 LEU A 87 0.019 -7.867 -9.127 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -0.964 -8.495 -11.324 1.00 0.00 C ATOM 0 H LEU A 87 1.220 -9.967 -11.889 1.00 0.00 H new ATOM 0 HA LEU A 87 2.936 -7.902 -12.640 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.664 -6.738 -10.552 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.865 -7.054 -12.080 1.00 0.00 H new ATOM 0 HG LEU A 87 0.754 -9.440 -10.405 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.699 -8.511 -8.620 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.935 -7.812 -8.540 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.403 -6.868 -9.235 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.685 -9.137 -10.819 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.377 -7.491 -11.420 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.753 -8.896 -12.315 1.00 0.00 H new ATOM 1418 N VAL A 88 3.436 -8.888 -9.547 1.00 0.00 N ATOM 1419 CA VAL A 88 4.415 -8.857 -8.437 1.00 0.00 C ATOM 1420 C VAL A 88 5.816 -9.223 -8.925 1.00 0.00 C ATOM 1421 O VAL A 88 6.809 -8.801 -8.365 1.00 0.00 O ATOM 1422 CB VAL A 88 3.990 -9.887 -7.425 1.00 0.00 C ATOM 1423 CG1 VAL A 88 2.669 -9.471 -6.775 1.00 0.00 C ATOM 1424 CG2 VAL A 88 3.817 -11.225 -8.144 1.00 0.00 C ATOM 0 H VAL A 88 2.606 -9.453 -9.369 1.00 0.00 H new ATOM 0 HA VAL A 88 4.444 -7.852 -8.015 1.00 0.00 H new ATOM 0 HB VAL A 88 4.745 -9.975 -6.644 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.370 -10.223 -6.045 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.796 -8.510 -6.276 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.898 -9.383 -7.541 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.509 -11.986 -7.427 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.056 -11.126 -8.918 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.763 -11.518 -8.600 1.00 0.00 H new ATOM 1434 N GLU A 89 5.910 -10.024 -9.944 1.00 0.00 N ATOM 1435 CA GLU A 89 7.255 -10.429 -10.438 1.00 0.00 C ATOM 1436 C GLU A 89 8.083 -9.173 -10.700 1.00 0.00 C ATOM 1437 O GLU A 89 9.260 -9.121 -10.405 1.00 0.00 O ATOM 1438 CB GLU A 89 7.107 -11.225 -11.736 1.00 0.00 C ATOM 1439 CG GLU A 89 7.850 -12.556 -11.606 1.00 0.00 C ATOM 1440 CD GLU A 89 7.035 -13.661 -12.279 1.00 0.00 C ATOM 1441 OE1 GLU A 89 5.881 -13.824 -11.916 1.00 0.00 O ATOM 1442 OE2 GLU A 89 7.578 -14.328 -13.145 1.00 0.00 O ATOM 0 H GLU A 89 5.119 -10.416 -10.456 1.00 0.00 H new ATOM 0 HA GLU A 89 7.751 -11.051 -9.693 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.053 -11.404 -11.947 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.507 -10.653 -12.573 1.00 0.00 H new ATOM 0 HG2 GLU A 89 8.834 -12.482 -12.068 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.009 -12.795 -10.554 1.00 0.00 H new ATOM 1449 N GLN A 90 7.472 -8.154 -11.229 1.00 0.00 N ATOM 1450 CA GLN A 90 8.220 -6.895 -11.483 1.00 0.00 C ATOM 1451 C GLN A 90 8.205 -6.049 -10.207 1.00 0.00 C ATOM 1452 O GLN A 90 9.007 -5.152 -10.034 1.00 0.00 O ATOM 1453 CB GLN A 90 7.549 -6.121 -12.619 1.00 0.00 C ATOM 1454 CG GLN A 90 8.443 -6.151 -13.860 1.00 0.00 C ATOM 1455 CD GLN A 90 8.637 -7.595 -14.320 1.00 0.00 C ATOM 1456 OE1 GLN A 90 8.089 -8.510 -13.738 1.00 0.00 O ATOM 1457 NE2 GLN A 90 9.402 -7.840 -15.348 1.00 0.00 N ATOM 0 H GLN A 90 6.488 -8.138 -11.496 1.00 0.00 H new ATOM 0 HA GLN A 90 9.248 -7.123 -11.766 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.578 -6.560 -12.848 1.00 0.00 H new ATOM 0 HB3 GLN A 90 7.369 -5.090 -12.313 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.992 -5.562 -14.659 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.409 -5.698 -13.636 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.862 -7.071 -15.836 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.540 -8.800 -15.664 1.00 0.00 H new ATOM 1466 N ALA A 91 7.290 -6.326 -9.311 1.00 0.00 N ATOM 1467 CA ALA A 91 7.214 -5.538 -8.047 1.00 0.00 C ATOM 1468 C ALA A 91 8.465 -5.775 -7.201 1.00 0.00 C ATOM 1469 O ALA A 91 8.894 -4.916 -6.457 1.00 0.00 O ATOM 1470 CB ALA A 91 5.977 -5.947 -7.249 1.00 0.00 C ATOM 0 H ALA A 91 6.593 -7.065 -9.403 1.00 0.00 H new ATOM 0 HA ALA A 91 7.148 -4.480 -8.301 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.930 -5.366 -6.328 1.00 0.00 H new ATOM 0 HB2 ALA A 91 5.082 -5.759 -7.843 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.035 -7.008 -7.006 1.00 0.00 H new ATOM 1476 N PHE A 92 9.054 -6.935 -7.301 1.00 0.00 N ATOM 1477 CA PHE A 92 10.274 -7.218 -6.495 1.00 0.00 C ATOM 1478 C PHE A 92 11.504 -6.684 -7.229 1.00 0.00 C ATOM 1479 O PHE A 92 12.566 -6.539 -6.657 1.00 0.00 O ATOM 1480 CB PHE A 92 10.412 -8.728 -6.291 1.00 0.00 C ATOM 1481 CG PHE A 92 9.170 -9.258 -5.614 1.00 0.00 C ATOM 1482 CD1 PHE A 92 8.769 -8.732 -4.380 1.00 0.00 C ATOM 1483 CD2 PHE A 92 8.422 -10.275 -6.218 1.00 0.00 C ATOM 1484 CE1 PHE A 92 7.618 -9.223 -3.751 1.00 0.00 C ATOM 1485 CE2 PHE A 92 7.271 -10.765 -5.590 1.00 0.00 C ATOM 1486 CZ PHE A 92 6.869 -10.239 -4.355 1.00 0.00 C ATOM 0 H PHE A 92 8.744 -7.697 -7.904 1.00 0.00 H new ATOM 0 HA PHE A 92 10.191 -6.729 -5.524 1.00 0.00 H new ATOM 0 HB2 PHE A 92 10.556 -9.224 -7.251 1.00 0.00 H new ATOM 0 HB3 PHE A 92 11.291 -8.945 -5.684 1.00 0.00 H new ATOM 0 HD1 PHE A 92 9.347 -7.948 -3.913 1.00 0.00 H new ATOM 0 HD2 PHE A 92 8.733 -10.682 -7.169 1.00 0.00 H new ATOM 0 HE1 PHE A 92 7.308 -8.817 -2.799 1.00 0.00 H new ATOM 0 HE2 PHE A 92 6.693 -11.548 -6.057 1.00 0.00 H new ATOM 0 HZ PHE A 92 5.982 -10.618 -3.870 1.00 0.00 H new ATOM 1496 N ARG A 93 11.370 -6.387 -8.493 1.00 0.00 N ATOM 1497 CA ARG A 93 12.533 -5.859 -9.260 1.00 0.00 C ATOM 1498 C ARG A 93 12.317 -4.371 -9.549 1.00 0.00 C ATOM 1499 O ARG A 93 11.250 -3.956 -9.955 1.00 0.00 O ATOM 1500 CB ARG A 93 12.668 -6.621 -10.580 1.00 0.00 C ATOM 1501 CG ARG A 93 14.148 -6.752 -10.945 1.00 0.00 C ATOM 1502 CD ARG A 93 14.284 -7.524 -12.259 1.00 0.00 C ATOM 1503 NE ARG A 93 14.530 -6.568 -13.375 1.00 0.00 N ATOM 1504 CZ ARG A 93 13.576 -6.299 -14.225 1.00 0.00 C ATOM 1505 NH1 ARG A 93 13.213 -7.196 -15.101 1.00 0.00 N ATOM 1506 NH2 ARG A 93 12.987 -5.136 -14.198 1.00 0.00 N ATOM 0 H ARG A 93 10.507 -6.487 -9.027 1.00 0.00 H new ATOM 0 HA ARG A 93 13.443 -5.989 -8.674 1.00 0.00 H new ATOM 0 HB2 ARG A 93 12.216 -7.609 -10.490 1.00 0.00 H new ATOM 0 HB3 ARG A 93 12.132 -6.096 -11.371 1.00 0.00 H new ATOM 0 HG2 ARG A 93 14.598 -5.764 -11.043 1.00 0.00 H new ATOM 0 HG3 ARG A 93 14.685 -7.269 -10.150 1.00 0.00 H new ATOM 0 HD2 ARG A 93 15.105 -8.238 -12.190 1.00 0.00 H new ATOM 0 HD3 ARG A 93 13.378 -8.098 -12.451 1.00 0.00 H new ATOM 0 HE ARG A 93 15.443 -6.124 -13.475 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.674 -8.105 -15.121 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.468 -6.987 -15.766 1.00 0.00 H new ATOM 0 HH21 ARG A 93 13.271 -4.436 -13.513 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.242 -4.926 -14.862 1.00 0.00 H new ATOM 1520 N LYS A 94 13.322 -3.564 -9.343 1.00 0.00 N ATOM 1521 CA LYS A 94 13.171 -2.105 -9.607 1.00 0.00 C ATOM 1522 C LYS A 94 13.235 -1.854 -11.116 1.00 0.00 C ATOM 1523 O LYS A 94 13.839 -2.606 -11.855 1.00 0.00 O ATOM 1524 CB LYS A 94 14.302 -1.340 -8.913 1.00 0.00 C ATOM 1525 CG LYS A 94 14.118 -1.415 -7.396 1.00 0.00 C ATOM 1526 CD LYS A 94 15.354 -0.836 -6.702 1.00 0.00 C ATOM 1527 CE LYS A 94 16.538 -1.788 -6.888 1.00 0.00 C ATOM 1528 NZ LYS A 94 17.541 -1.156 -7.790 1.00 0.00 N ATOM 0 H LYS A 94 14.240 -3.852 -9.004 1.00 0.00 H new ATOM 0 HA LYS A 94 12.212 -1.762 -9.220 1.00 0.00 H new ATOM 0 HB2 LYS A 94 15.266 -1.763 -9.194 1.00 0.00 H new ATOM 0 HB3 LYS A 94 14.304 -0.300 -9.238 1.00 0.00 H new ATOM 0 HG2 LYS A 94 13.228 -0.860 -7.099 1.00 0.00 H new ATOM 0 HG3 LYS A 94 13.966 -2.450 -7.088 1.00 0.00 H new ATOM 0 HD2 LYS A 94 15.592 0.143 -7.118 1.00 0.00 H new ATOM 0 HD3 LYS A 94 15.154 -0.691 -5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 94 16.992 -2.015 -5.923 1.00 0.00 H new ATOM 0 HE3 LYS A 94 16.197 -2.733 -7.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 18.182 -1.886 -8.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 17.052 -0.689 -8.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 18.091 -0.451 -7.258 1.00 0.00 H new