USER MOD reduce.3.24.130724 H: found=0, std=0, add=638, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 637 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 TYR OH : rot 121:sc= -3.79! USER MOD Set 1.2: A 90 GLN : amide:sc= 0.625 X(o=-3.2,f=-3.6) USER MOD Set 2.1: A 50 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 54 ASN : amide:sc= -4.22 K(o=-4.2,f=-2.8) USER MOD Set 3.1: A 18 SER OG : rot -155:sc= 0.64 USER MOD Set 3.2: A 36 HIS : no HE2:sc= 0.565 K(o=1.2,f=-0.037) USER MOD Set 4.1: A 6 TYR OH : rot 16:sc= -0.946! USER MOD Set 4.2: A 14 GLN : amide:sc= -1.05 K(o=-0.44,f=-1.3) USER MOD Set 4.3: A 37 TYR OH : rot -65:sc= 1.55 USER MOD Set 5.1: A 8 TYR OH : rot 72:sc= -1.95! USER MOD Set 5.2: A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -3.58! C(o=-3.6!,f=-11!) USER MOD Single : A 17 SER OG : rot -110:sc= -0.577 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= -3.06! C(o=-3.1!,f=-3.3!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00931 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -30:sc= 1.05 USER MOD Single : A 32 HIS : no HE2:sc= -14.6! C(o=-15!,f=-13!) USER MOD Single : A 34 THR OG1 : rot -33:sc= -0.0939 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0201 USER MOD Single : A 45 LYS NZ :NH3+ -151:sc= -0.0574 (180deg=-0.427) USER MOD Single : A 48 GLN : amide:sc= -6.99! C(o=-7!,f=-4!) USER MOD Single : A 49 ASN : amide:sc= -1.97! C(o=-2!,f=-4.7!) USER MOD Single : A 53 HIS : no HD1:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 56 SER OG : rot -68:sc= 0.296 USER MOD Single : A 58 ASN : amide:sc= -10.3! C(o=-10!,f=-13!) 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 ----------------------------------------------------------------- ATOM 79 N TYR A 6 7.354 5.292 -12.014 1.00 0.00 N ATOM 80 CA TYR A 6 6.119 5.287 -12.846 1.00 0.00 C ATOM 81 C TYR A 6 5.062 6.171 -12.186 1.00 0.00 C ATOM 82 O TYR A 6 5.167 6.520 -11.028 1.00 0.00 O ATOM 83 CB TYR A 6 5.585 3.855 -12.966 1.00 0.00 C ATOM 84 CG TYR A 6 6.741 2.882 -12.938 1.00 0.00 C ATOM 85 CD1 TYR A 6 7.272 2.459 -11.714 1.00 0.00 C ATOM 86 CD2 TYR A 6 7.287 2.409 -14.138 1.00 0.00 C ATOM 87 CE1 TYR A 6 8.347 1.563 -11.686 1.00 0.00 C ATOM 88 CE2 TYR A 6 8.364 1.513 -14.110 1.00 0.00 C ATOM 89 CZ TYR A 6 8.894 1.091 -12.886 1.00 0.00 C ATOM 90 OH TYR A 6 9.955 0.212 -12.862 1.00 0.00 O ATOM 0 HA TYR A 6 6.349 5.671 -13.840 1.00 0.00 H new ATOM 0 HB2 TYR A 6 4.897 3.642 -12.148 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.023 3.742 -13.893 1.00 0.00 H new ATOM 0 HD1 TYR A 6 6.851 2.825 -10.789 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.879 2.734 -15.083 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.754 1.236 -10.741 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.786 1.148 -15.035 1.00 0.00 H new ATOM 0 HH TYR A 6 10.040 -0.173 -11.965 1.00 0.00 H new ATOM 100 N SER A 7 4.041 6.534 -12.912 1.00 0.00 N ATOM 101 CA SER A 7 2.978 7.389 -12.317 1.00 0.00 C ATOM 102 C SER A 7 2.547 6.781 -10.985 1.00 0.00 C ATOM 103 O SER A 7 2.487 5.577 -10.840 1.00 0.00 O ATOM 104 CB SER A 7 1.779 7.442 -13.265 1.00 0.00 C ATOM 105 OG SER A 7 2.113 8.226 -14.403 1.00 0.00 O ATOM 0 H SER A 7 3.898 6.276 -13.888 1.00 0.00 H new ATOM 0 HA SER A 7 3.357 8.399 -12.159 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.500 6.434 -13.573 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.916 7.870 -12.755 1.00 0.00 H new ATOM 0 HG SER A 7 1.347 8.260 -15.013 1.00 0.00 H new ATOM 111 N TYR A 8 2.254 7.592 -10.006 1.00 0.00 N ATOM 112 CA TYR A 8 1.836 7.025 -8.691 1.00 0.00 C ATOM 113 C TYR A 8 0.530 6.255 -8.867 1.00 0.00 C ATOM 114 O TYR A 8 -0.545 6.734 -8.565 1.00 0.00 O ATOM 115 CB TYR A 8 1.670 8.132 -7.647 1.00 0.00 C ATOM 116 CG TYR A 8 2.887 8.114 -6.756 1.00 0.00 C ATOM 117 CD1 TYR A 8 3.219 6.943 -6.067 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.692 9.253 -6.631 1.00 0.00 C ATOM 119 CE1 TYR A 8 4.355 6.907 -5.253 1.00 0.00 C ATOM 120 CE2 TYR A 8 4.828 9.218 -5.812 1.00 0.00 C ATOM 121 CZ TYR A 8 5.160 8.045 -5.124 1.00 0.00 C ATOM 122 OH TYR A 8 6.280 8.011 -4.321 1.00 0.00 O ATOM 0 H TYR A 8 2.285 8.610 -10.057 1.00 0.00 H new ATOM 0 HA TYR A 8 2.611 6.347 -8.334 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.567 9.102 -8.133 1.00 0.00 H new ATOM 0 HB3 TYR A 8 0.765 7.971 -7.061 1.00 0.00 H new ATOM 0 HD1 TYR A 8 2.597 6.065 -6.164 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.438 10.157 -7.165 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.612 6.001 -4.724 1.00 0.00 H new ATOM 0 HE2 TYR A 8 5.448 10.097 -5.711 1.00 0.00 H new ATOM 0 HH TYR A 8 6.973 7.466 -4.749 1.00 0.00 H new ATOM 132 N ALA A 9 0.637 5.057 -9.363 1.00 0.00 N ATOM 133 CA ALA A 9 -0.561 4.205 -9.587 1.00 0.00 C ATOM 134 C ALA A 9 -0.103 2.881 -10.203 1.00 0.00 C ATOM 135 O ALA A 9 -0.693 1.841 -9.987 1.00 0.00 O ATOM 136 CB ALA A 9 -1.524 4.912 -10.543 1.00 0.00 C ATOM 0 H ALA A 9 1.522 4.624 -9.628 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.073 4.022 -8.642 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.401 4.285 -10.705 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.833 5.864 -10.110 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.025 5.091 -11.495 1.00 0.00 H new ATOM 142 N GLN A 10 0.962 2.919 -10.963 1.00 0.00 N ATOM 143 CA GLN A 10 1.489 1.681 -11.594 1.00 0.00 C ATOM 144 C GLN A 10 2.234 0.875 -10.536 1.00 0.00 C ATOM 145 O GLN A 10 2.202 -0.340 -10.533 1.00 0.00 O ATOM 146 CB GLN A 10 2.442 2.055 -12.730 1.00 0.00 C ATOM 147 CG GLN A 10 1.694 2.907 -13.758 1.00 0.00 C ATOM 148 CD GLN A 10 2.698 3.637 -14.651 1.00 0.00 C ATOM 149 OE1 GLN A 10 2.726 4.851 -14.686 1.00 0.00 O ATOM 150 NE2 GLN A 10 3.528 2.944 -15.379 1.00 0.00 N ATOM 0 H GLN A 10 1.491 3.766 -11.173 1.00 0.00 H new ATOM 0 HA GLN A 10 0.670 1.087 -12.000 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.296 2.606 -12.337 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.834 1.154 -13.203 1.00 0.00 H new ATOM 0 HG2 GLN A 10 1.045 2.276 -14.365 1.00 0.00 H new ATOM 0 HG3 GLN A 10 1.053 3.628 -13.250 1.00 0.00 H new ATOM 0 HE21 GLN A 10 3.504 1.925 -15.349 1.00 0.00 H new ATOM 0 HE22 GLN A 10 4.201 3.421 -15.978 1.00 0.00 H new ATOM 159 N LEU A 11 2.877 1.537 -9.609 1.00 0.00 N ATOM 160 CA LEU A 11 3.576 0.770 -8.539 1.00 0.00 C ATOM 161 C LEU A 11 2.515 -0.091 -7.904 1.00 0.00 C ATOM 162 O LEU A 11 2.787 -1.137 -7.360 1.00 0.00 O ATOM 163 CB LEU A 11 4.181 1.660 -7.427 1.00 0.00 C ATOM 164 CG LEU A 11 4.463 3.076 -7.910 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.029 3.042 -9.324 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.167 3.876 -7.870 1.00 0.00 C ATOM 0 H LEU A 11 2.947 2.553 -9.547 1.00 0.00 H new ATOM 0 HA LEU A 11 4.405 0.221 -8.986 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.495 1.697 -6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.106 1.210 -7.068 1.00 0.00 H new ATOM 0 HG LEU A 11 5.200 3.550 -7.262 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.228 4.059 -9.661 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.957 2.470 -9.331 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.308 2.572 -9.993 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.356 4.893 -8.214 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.429 3.405 -8.519 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.788 3.903 -6.849 1.00 0.00 H new ATOM 178 N ILE A 12 1.292 0.364 -7.976 1.00 0.00 N ATOM 179 CA ILE A 12 0.185 -0.407 -7.380 1.00 0.00 C ATOM 180 C ILE A 12 -0.218 -1.536 -8.332 1.00 0.00 C ATOM 181 O ILE A 12 -0.275 -2.692 -7.961 1.00 0.00 O ATOM 182 CB ILE A 12 -1.009 0.506 -7.143 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.534 1.869 -6.625 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.935 -0.142 -6.115 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.363 1.678 -5.402 1.00 0.00 C ATOM 0 H ILE A 12 1.021 1.239 -8.425 1.00 0.00 H new ATOM 0 HA ILE A 12 0.510 -0.828 -6.429 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.545 0.654 -8.081 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.012 2.395 -7.408 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.393 2.488 -6.364 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.794 0.506 -5.939 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -2.279 -1.106 -6.491 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.394 -0.289 -5.180 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.696 2.651 -5.040 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.196 1.170 -4.616 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.230 1.077 -5.677 1.00 0.00 H new ATOM 197 N VAL A 13 -0.498 -1.210 -9.566 1.00 0.00 N ATOM 198 CA VAL A 13 -0.889 -2.268 -10.540 1.00 0.00 C ATOM 199 C VAL A 13 0.150 -3.386 -10.487 1.00 0.00 C ATOM 200 O VAL A 13 -0.150 -4.502 -10.118 1.00 0.00 O ATOM 201 CB VAL A 13 -0.921 -1.675 -11.950 1.00 0.00 C ATOM 202 CG1 VAL A 13 -1.441 -2.723 -12.936 1.00 0.00 C ATOM 203 CG2 VAL A 13 -1.843 -0.458 -11.964 1.00 0.00 C ATOM 0 H VAL A 13 -0.473 -0.261 -9.939 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.875 -2.659 -10.290 1.00 0.00 H new ATOM 0 HB VAL A 13 0.085 -1.375 -12.242 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.463 -2.299 -13.940 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.783 -3.592 -12.924 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.448 -3.026 -12.648 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.869 -0.032 -12.967 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.849 -0.760 -11.672 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.471 0.289 -11.263 1.00 0.00 H new ATOM 213 N GLN A 14 1.375 -3.096 -10.828 1.00 0.00 N ATOM 214 CA GLN A 14 2.419 -4.154 -10.763 1.00 0.00 C ATOM 215 C GLN A 14 2.452 -4.692 -9.335 1.00 0.00 C ATOM 216 O GLN A 14 2.801 -5.830 -9.089 1.00 0.00 O ATOM 217 CB GLN A 14 3.783 -3.559 -11.123 1.00 0.00 C ATOM 218 CG GLN A 14 3.795 -3.166 -12.602 1.00 0.00 C ATOM 219 CD GLN A 14 5.157 -2.568 -12.961 1.00 0.00 C ATOM 220 OE1 GLN A 14 5.895 -3.131 -13.744 1.00 0.00 O ATOM 221 NE2 GLN A 14 5.523 -1.438 -12.419 1.00 0.00 N ATOM 0 H GLN A 14 1.695 -2.181 -11.146 1.00 0.00 H new ATOM 0 HA GLN A 14 2.193 -4.955 -11.467 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.986 -2.686 -10.502 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.572 -4.284 -10.922 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.595 -4.039 -13.223 1.00 0.00 H new ATOM 0 HG3 GLN A 14 3.004 -2.443 -12.803 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.904 -0.964 -11.761 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.428 -1.029 -12.653 1.00 0.00 H new ATOM 230 N ALA A 15 2.076 -3.872 -8.391 1.00 0.00 N ATOM 231 CA ALA A 15 2.060 -4.308 -6.970 1.00 0.00 C ATOM 232 C ALA A 15 0.941 -5.333 -6.768 1.00 0.00 C ATOM 233 O ALA A 15 1.160 -6.421 -6.276 1.00 0.00 O ATOM 234 CB ALA A 15 1.801 -3.088 -6.081 1.00 0.00 C ATOM 0 H ALA A 15 1.777 -2.910 -8.548 1.00 0.00 H new ATOM 0 HA ALA A 15 3.017 -4.760 -6.708 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.787 -3.396 -5.036 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.592 -2.353 -6.232 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.840 -2.645 -6.342 1.00 0.00 H new ATOM 240 N ILE A 16 -0.262 -4.986 -7.145 1.00 0.00 N ATOM 241 CA ILE A 16 -1.406 -5.936 -6.971 1.00 0.00 C ATOM 242 C ILE A 16 -1.500 -6.883 -8.174 1.00 0.00 C ATOM 243 O ILE A 16 -1.588 -8.086 -8.021 1.00 0.00 O ATOM 244 CB ILE A 16 -2.738 -5.174 -6.827 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.496 -3.657 -6.744 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.442 -5.642 -5.553 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.738 -2.959 -6.181 1.00 0.00 C ATOM 0 H ILE A 16 -0.504 -4.088 -7.565 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.224 -6.511 -6.063 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.356 -5.378 -7.701 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.634 -3.452 -6.109 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.264 -3.263 -7.733 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.386 -5.108 -5.442 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.636 -6.713 -5.617 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.807 -5.439 -4.691 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.558 -1.885 -6.126 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.590 -3.151 -6.833 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.951 -3.343 -5.183 1.00 0.00 H new ATOM 259 N SER A 17 -1.501 -6.353 -9.367 1.00 0.00 N ATOM 260 CA SER A 17 -1.613 -7.223 -10.576 1.00 0.00 C ATOM 261 C SER A 17 -0.522 -8.297 -10.562 1.00 0.00 C ATOM 262 O SER A 17 -0.755 -9.431 -10.931 1.00 0.00 O ATOM 263 CB SER A 17 -1.459 -6.369 -11.836 1.00 0.00 C ATOM 264 OG SER A 17 -2.606 -5.543 -11.985 1.00 0.00 O ATOM 0 H SER A 17 -1.429 -5.354 -9.558 1.00 0.00 H new ATOM 0 HA SER A 17 -2.590 -7.706 -10.570 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.561 -5.755 -11.766 1.00 0.00 H new ATOM 0 HB3 SER A 17 -1.341 -7.008 -12.711 1.00 0.00 H new ATOM 0 HG SER A 17 -3.133 -5.850 -12.752 1.00 0.00 H new ATOM 270 N SER A 18 0.667 -7.956 -10.150 1.00 0.00 N ATOM 271 CA SER A 18 1.760 -8.968 -10.129 1.00 0.00 C ATOM 272 C SER A 18 1.598 -9.876 -8.909 1.00 0.00 C ATOM 273 O SER A 18 2.202 -10.927 -8.824 1.00 0.00 O ATOM 274 CB SER A 18 3.113 -8.258 -10.066 1.00 0.00 C ATOM 275 OG SER A 18 4.103 -9.080 -10.671 1.00 0.00 O ATOM 0 H SER A 18 0.929 -7.024 -9.828 1.00 0.00 H new ATOM 0 HA SER A 18 1.710 -9.572 -11.035 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.057 -7.298 -10.579 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.380 -8.050 -9.030 1.00 0.00 H new ATOM 0 HG SER A 18 4.983 -8.859 -10.301 1.00 0.00 H new ATOM 281 N ALA A 19 0.787 -9.485 -7.964 1.00 0.00 N ATOM 282 CA ALA A 19 0.590 -10.335 -6.756 1.00 0.00 C ATOM 283 C ALA A 19 -0.203 -11.582 -7.145 1.00 0.00 C ATOM 284 O ALA A 19 -0.391 -11.866 -8.311 1.00 0.00 O ATOM 285 CB ALA A 19 -0.179 -9.546 -5.694 1.00 0.00 C ATOM 0 H ALA A 19 0.254 -8.616 -7.976 1.00 0.00 H new ATOM 0 HA ALA A 19 1.559 -10.629 -6.352 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.322 -10.169 -4.811 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.387 -8.655 -5.422 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.150 -9.251 -6.092 1.00 0.00 H new ATOM 291 N GLN A 20 -0.675 -12.326 -6.182 1.00 0.00 N ATOM 292 CA GLN A 20 -1.460 -13.550 -6.508 1.00 0.00 C ATOM 293 C GLN A 20 -2.448 -13.225 -7.630 1.00 0.00 C ATOM 294 O GLN A 20 -2.136 -13.339 -8.798 1.00 0.00 O ATOM 295 CB GLN A 20 -2.231 -14.009 -5.269 1.00 0.00 C ATOM 296 CG GLN A 20 -1.275 -14.703 -4.297 1.00 0.00 C ATOM 297 CD GLN A 20 -1.342 -14.009 -2.934 1.00 0.00 C ATOM 298 OE1 GLN A 20 -2.310 -14.151 -2.214 1.00 0.00 O ATOM 299 NE2 GLN A 20 -0.346 -13.258 -2.547 1.00 0.00 N ATOM 0 H GLN A 20 -0.551 -12.140 -5.187 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.786 -14.344 -6.828 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.702 -13.154 -4.784 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.030 -14.691 -5.558 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.543 -15.755 -4.195 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.257 -14.669 -4.685 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.467 -13.138 -3.151 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.381 -12.791 -1.641 1.00 0.00 H new ATOM 308 N ASP A 21 -3.637 -12.814 -7.283 1.00 0.00 N ATOM 309 CA ASP A 21 -4.641 -12.471 -8.327 1.00 0.00 C ATOM 310 C ASP A 21 -4.528 -10.984 -8.669 1.00 0.00 C ATOM 311 O ASP A 21 -4.099 -10.614 -9.744 1.00 0.00 O ATOM 312 CB ASP A 21 -6.045 -12.770 -7.798 1.00 0.00 C ATOM 313 CG ASP A 21 -6.702 -13.838 -8.675 1.00 0.00 C ATOM 314 OD1 ASP A 21 -5.997 -14.729 -9.118 1.00 0.00 O ATOM 315 OD2 ASP A 21 -7.900 -13.745 -8.891 1.00 0.00 O ATOM 0 H ASP A 21 -3.956 -12.701 -6.321 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.457 -13.065 -9.222 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.991 -13.115 -6.765 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.647 -11.861 -7.800 1.00 0.00 H new ATOM 320 N ARG A 22 -4.910 -10.130 -7.759 1.00 0.00 N ATOM 321 CA ARG A 22 -4.829 -8.664 -8.021 1.00 0.00 C ATOM 322 C ARG A 22 -5.342 -7.904 -6.796 1.00 0.00 C ATOM 323 O ARG A 22 -5.980 -6.874 -6.912 1.00 0.00 O ATOM 324 CB ARG A 22 -5.688 -8.314 -9.236 1.00 0.00 C ATOM 325 CG ARG A 22 -6.912 -9.230 -9.272 1.00 0.00 C ATOM 326 CD ARG A 22 -7.976 -8.627 -10.191 1.00 0.00 C ATOM 327 NE ARG A 22 -8.032 -9.404 -11.460 1.00 0.00 N ATOM 328 CZ ARG A 22 -9.176 -9.831 -11.915 1.00 0.00 C ATOM 329 NH1 ARG A 22 -10.268 -9.163 -11.663 1.00 0.00 N ATOM 330 NH2 ARG A 22 -9.230 -10.924 -12.624 1.00 0.00 N ATOM 0 H ARG A 22 -5.276 -10.385 -6.842 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.794 -8.384 -8.218 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.001 -7.271 -9.186 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.107 -8.428 -10.151 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.628 -10.220 -9.628 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.314 -9.356 -8.267 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.948 -8.643 -9.699 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.742 -7.583 -10.401 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.174 -9.602 -11.974 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.226 -8.307 -11.110 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.164 -9.497 -12.019 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -8.376 -11.446 -12.823 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.126 -11.257 -12.980 1.00 0.00 H new ATOM 344 N GLN A 23 -5.071 -8.406 -5.622 1.00 0.00 N ATOM 345 CA GLN A 23 -5.543 -7.720 -4.387 1.00 0.00 C ATOM 346 C GLN A 23 -4.376 -7.578 -3.410 1.00 0.00 C ATOM 347 O GLN A 23 -3.560 -8.466 -3.271 1.00 0.00 O ATOM 348 CB GLN A 23 -6.648 -8.553 -3.737 1.00 0.00 C ATOM 349 CG GLN A 23 -6.324 -10.039 -3.897 1.00 0.00 C ATOM 350 CD GLN A 23 -6.894 -10.820 -2.712 1.00 0.00 C ATOM 351 OE1 GLN A 23 -6.979 -10.307 -1.614 1.00 0.00 O ATOM 352 NE2 GLN A 23 -7.291 -12.051 -2.890 1.00 0.00 N ATOM 0 H GLN A 23 -4.542 -9.264 -5.465 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.930 -6.733 -4.641 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.735 -8.300 -2.680 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.609 -8.327 -4.199 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.745 -10.415 -4.829 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.245 -10.182 -3.954 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -7.220 -12.482 -3.812 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.673 -12.582 -2.107 1.00 0.00 H new ATOM 361 N LEU A 24 -4.287 -6.466 -2.732 1.00 0.00 N ATOM 362 CA LEU A 24 -3.172 -6.273 -1.772 1.00 0.00 C ATOM 363 C LEU A 24 -3.675 -5.508 -0.549 1.00 0.00 C ATOM 364 O LEU A 24 -4.548 -4.669 -0.646 1.00 0.00 O ATOM 365 CB LEU A 24 -2.072 -5.457 -2.446 1.00 0.00 C ATOM 366 CG LEU A 24 -1.130 -6.390 -3.206 1.00 0.00 C ATOM 367 CD1 LEU A 24 -0.120 -5.559 -3.997 1.00 0.00 C ATOM 368 CD2 LEU A 24 -0.388 -7.280 -2.209 1.00 0.00 C ATOM 0 H LEU A 24 -4.940 -5.685 -2.804 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.786 -7.244 -1.463 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.512 -4.732 -3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.515 -4.892 -1.698 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.705 -7.011 -3.892 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.552 -6.223 -4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.649 -4.921 -4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.458 -4.939 -3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.285 -7.947 -2.748 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.189 -6.658 -1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.108 -7.871 -1.643 1.00 0.00 H new ATOM 380 N THR A 25 -3.119 -5.775 0.600 1.00 0.00 N ATOM 381 CA THR A 25 -3.556 -5.039 1.816 1.00 0.00 C ATOM 382 C THR A 25 -2.884 -3.668 1.806 1.00 0.00 C ATOM 383 O THR A 25 -1.984 -3.420 1.029 1.00 0.00 O ATOM 384 CB THR A 25 -3.137 -5.813 3.071 1.00 0.00 C ATOM 385 OG1 THR A 25 -1.777 -6.216 2.958 1.00 0.00 O ATOM 386 CG2 THR A 25 -4.023 -7.049 3.231 1.00 0.00 C ATOM 0 H THR A 25 -2.385 -6.467 0.748 1.00 0.00 H new ATOM 0 HA THR A 25 -4.640 -4.929 1.822 1.00 0.00 H new ATOM 0 HB THR A 25 -3.250 -5.169 3.943 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.514 -6.709 3.763 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.724 -7.598 4.124 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.064 -6.740 3.327 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.914 -7.691 2.357 1.00 0.00 H new ATOM 394 N LEU A 26 -3.305 -2.768 2.648 1.00 0.00 N ATOM 395 CA LEU A 26 -2.668 -1.422 2.646 1.00 0.00 C ATOM 396 C LEU A 26 -1.151 -1.594 2.717 1.00 0.00 C ATOM 397 O LEU A 26 -0.408 -0.854 2.108 1.00 0.00 O ATOM 398 CB LEU A 26 -3.151 -0.598 3.846 1.00 0.00 C ATOM 399 CG LEU A 26 -3.184 0.882 3.459 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.258 1.600 4.279 1.00 0.00 C ATOM 401 CD2 LEU A 26 -1.821 1.518 3.744 1.00 0.00 C ATOM 0 H LEU A 26 -4.052 -2.902 3.329 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.943 -0.895 1.732 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.143 -0.928 4.153 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.487 -0.749 4.697 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.413 0.972 2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.282 2.654 4.004 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.230 1.150 4.078 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.028 1.507 5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.846 2.572 3.468 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.592 1.427 4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.053 1.009 3.162 1.00 0.00 H new ATOM 413 N SER A 27 -0.684 -2.571 3.445 1.00 0.00 N ATOM 414 CA SER A 27 0.786 -2.788 3.540 1.00 0.00 C ATOM 415 C SER A 27 1.209 -3.913 2.590 1.00 0.00 C ATOM 416 O SER A 27 2.226 -4.550 2.784 1.00 0.00 O ATOM 417 CB SER A 27 1.155 -3.172 4.972 1.00 0.00 C ATOM 418 OG SER A 27 1.266 -1.995 5.760 1.00 0.00 O ATOM 0 H SER A 27 -1.256 -3.227 3.977 1.00 0.00 H new ATOM 0 HA SER A 27 1.300 -1.868 3.262 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.396 -3.833 5.390 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.097 -3.721 4.982 1.00 0.00 H new ATOM 0 HG SER A 27 1.501 -2.238 6.680 1.00 0.00 H new ATOM 424 N GLY A 28 0.450 -4.153 1.556 1.00 0.00 N ATOM 425 CA GLY A 28 0.823 -5.221 0.589 1.00 0.00 C ATOM 426 C GLY A 28 1.440 -4.545 -0.619 1.00 0.00 C ATOM 427 O GLY A 28 2.409 -4.998 -1.195 1.00 0.00 O ATOM 0 H GLY A 28 -0.413 -3.654 1.340 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.529 -5.918 1.041 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.054 -5.799 0.299 1.00 0.00 H new ATOM 431 N ILE A 29 0.869 -3.443 -0.987 1.00 0.00 N ATOM 432 CA ILE A 29 1.372 -2.674 -2.140 1.00 0.00 C ATOM 433 C ILE A 29 2.852 -2.369 -1.924 1.00 0.00 C ATOM 434 O ILE A 29 3.661 -2.484 -2.823 1.00 0.00 O ATOM 435 CB ILE A 29 0.564 -1.386 -2.230 1.00 0.00 C ATOM 436 CG1 ILE A 29 0.872 -0.687 -3.551 1.00 0.00 C ATOM 437 CG2 ILE A 29 0.900 -0.476 -1.044 1.00 0.00 C ATOM 438 CD1 ILE A 29 2.265 -0.072 -3.495 1.00 0.00 C ATOM 0 H ILE A 29 0.056 -3.035 -0.525 1.00 0.00 H new ATOM 0 HA ILE A 29 1.267 -3.236 -3.068 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.501 -1.617 -2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.812 -1.400 -4.373 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.130 0.087 -3.745 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.319 0.443 -1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.658 -0.988 -0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.963 -0.235 -1.060 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.481 0.426 -4.440 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.310 0.654 -2.683 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.002 -0.856 -3.321 1.00 0.00 H new ATOM 450 N TYR A 30 3.215 -2.001 -0.730 1.00 0.00 N ATOM 451 CA TYR A 30 4.650 -1.708 -0.450 1.00 0.00 C ATOM 452 C TYR A 30 5.431 -3.019 -0.385 1.00 0.00 C ATOM 453 O TYR A 30 6.375 -3.231 -1.120 1.00 0.00 O ATOM 454 CB TYR A 30 4.790 -0.981 0.888 1.00 0.00 C ATOM 455 CG TYR A 30 3.645 -0.020 1.062 1.00 0.00 C ATOM 456 CD1 TYR A 30 3.520 1.078 0.209 1.00 0.00 C ATOM 457 CD2 TYR A 30 2.709 -0.229 2.075 1.00 0.00 C ATOM 458 CE1 TYR A 30 2.458 1.968 0.364 1.00 0.00 C ATOM 459 CE2 TYR A 30 1.643 0.663 2.234 1.00 0.00 C ATOM 460 CZ TYR A 30 1.515 1.762 1.378 1.00 0.00 C ATOM 461 OH TYR A 30 0.463 2.642 1.533 1.00 0.00 O ATOM 0 H TYR A 30 2.584 -1.890 0.064 1.00 0.00 H new ATOM 0 HA TYR A 30 5.042 -1.076 -1.246 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.801 -1.702 1.706 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.738 -0.444 0.924 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.248 1.238 -0.573 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.807 -1.078 2.735 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.363 2.816 -0.298 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.918 0.503 3.018 1.00 0.00 H new ATOM 0 HH TYR A 30 0.739 3.536 1.242 1.00 0.00 H new ATOM 471 N ALA A 31 5.047 -3.899 0.496 1.00 0.00 N ATOM 472 CA ALA A 31 5.768 -5.195 0.619 1.00 0.00 C ATOM 473 C ALA A 31 5.812 -5.895 -0.740 1.00 0.00 C ATOM 474 O ALA A 31 6.696 -6.684 -1.010 1.00 0.00 O ATOM 475 CB ALA A 31 5.037 -6.089 1.626 1.00 0.00 C ATOM 0 H ALA A 31 4.263 -3.776 1.137 1.00 0.00 H new ATOM 0 HA ALA A 31 6.786 -5.009 0.962 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.563 -7.039 1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.008 -5.595 2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.019 -6.270 1.280 1.00 0.00 H new ATOM 481 N HIS A 32 4.866 -5.623 -1.598 1.00 0.00 N ATOM 482 CA HIS A 32 4.870 -6.288 -2.928 1.00 0.00 C ATOM 483 C HIS A 32 5.899 -5.632 -3.850 1.00 0.00 C ATOM 484 O HIS A 32 6.819 -6.267 -4.324 1.00 0.00 O ATOM 485 CB HIS A 32 3.493 -6.168 -3.572 1.00 0.00 C ATOM 486 CG HIS A 32 3.547 -6.845 -4.909 1.00 0.00 C ATOM 487 ND1 HIS A 32 2.809 -7.979 -5.199 1.00 0.00 N ATOM 488 CD2 HIS A 32 4.282 -6.574 -6.035 1.00 0.00 C ATOM 489 CE1 HIS A 32 3.117 -8.350 -6.456 1.00 0.00 C ATOM 490 NE2 HIS A 32 4.010 -7.526 -7.011 1.00 0.00 N ATOM 0 H HIS A 32 4.097 -4.973 -1.435 1.00 0.00 H new ATOM 0 HA HIS A 32 5.126 -7.338 -2.784 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.735 -6.631 -2.940 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.216 -5.120 -3.686 1.00 0.00 H new ATOM 0 HD1 HIS A 32 2.152 -8.448 -4.575 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.968 -5.747 -6.146 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.694 -9.209 -6.955 1.00 0.00 H new ATOM 498 N ILE A 33 5.734 -4.369 -4.120 1.00 0.00 N ATOM 499 CA ILE A 33 6.683 -3.664 -5.027 1.00 0.00 C ATOM 500 C ILE A 33 8.113 -3.873 -4.536 1.00 0.00 C ATOM 501 O ILE A 33 9.045 -3.955 -5.310 1.00 0.00 O ATOM 502 CB ILE A 33 6.349 -2.170 -5.031 1.00 0.00 C ATOM 503 CG1 ILE A 33 6.900 -1.525 -6.305 1.00 0.00 C ATOM 504 CG2 ILE A 33 6.961 -1.488 -3.804 1.00 0.00 C ATOM 505 CD1 ILE A 33 6.863 -0.001 -6.163 1.00 0.00 C ATOM 0 H ILE A 33 4.979 -3.791 -3.750 1.00 0.00 H new ATOM 0 HA ILE A 33 6.594 -4.063 -6.038 1.00 0.00 H new ATOM 0 HB ILE A 33 5.266 -2.049 -4.999 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.922 -1.860 -6.482 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.309 -1.835 -7.167 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.716 -0.426 -3.818 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.559 -1.941 -2.898 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.044 -1.611 -3.821 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.255 0.459 -7.070 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.835 0.325 -6.007 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.473 0.300 -5.311 1.00 0.00 H new ATOM 517 N THR A 34 8.286 -3.958 -3.252 1.00 0.00 N ATOM 518 CA THR A 34 9.653 -4.159 -2.702 1.00 0.00 C ATOM 519 C THR A 34 10.247 -5.432 -3.304 1.00 0.00 C ATOM 520 O THR A 34 11.444 -5.640 -3.290 1.00 0.00 O ATOM 521 CB THR A 34 9.573 -4.293 -1.181 1.00 0.00 C ATOM 522 OG1 THR A 34 8.809 -5.445 -0.848 1.00 0.00 O ATOM 523 CG2 THR A 34 8.905 -3.049 -0.596 1.00 0.00 C ATOM 0 H THR A 34 7.541 -3.897 -2.557 1.00 0.00 H new ATOM 0 HA THR A 34 10.285 -3.307 -2.953 1.00 0.00 H new ATOM 0 HB THR A 34 10.577 -4.393 -0.769 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.113 -5.583 -1.524 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.847 -3.143 0.488 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.491 -2.167 -0.853 1.00 0.00 H new ATOM 0 HG23 THR A 34 7.900 -2.949 -1.006 1.00 0.00 H new ATOM 531 N LYS A 35 9.418 -6.279 -3.852 1.00 0.00 N ATOM 532 CA LYS A 35 9.934 -7.526 -4.477 1.00 0.00 C ATOM 533 C LYS A 35 10.376 -7.209 -5.907 1.00 0.00 C ATOM 534 O LYS A 35 11.190 -7.900 -6.486 1.00 0.00 O ATOM 535 CB LYS A 35 8.828 -8.584 -4.503 1.00 0.00 C ATOM 536 CG LYS A 35 9.357 -9.887 -3.899 1.00 0.00 C ATOM 537 CD LYS A 35 8.658 -11.077 -4.561 1.00 0.00 C ATOM 538 CE LYS A 35 9.642 -11.796 -5.484 1.00 0.00 C ATOM 539 NZ LYS A 35 8.974 -12.108 -6.779 1.00 0.00 N ATOM 0 H LYS A 35 8.406 -6.159 -3.893 1.00 0.00 H new ATOM 0 HA LYS A 35 10.778 -7.909 -3.903 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.962 -8.235 -3.941 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.496 -8.754 -5.527 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.435 -9.957 -4.046 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.180 -9.900 -2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.288 -11.764 -3.800 1.00 0.00 H new ATOM 0 HD3 LYS A 35 7.793 -10.735 -5.129 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.518 -11.171 -5.656 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.993 -12.714 -5.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.644 -12.597 -7.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.151 -12.720 -6.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.660 -11.225 -7.229 1.00 0.00 H new ATOM 553 N HIS A 36 9.848 -6.156 -6.472 1.00 0.00 N ATOM 554 CA HIS A 36 10.234 -5.774 -7.860 1.00 0.00 C ATOM 555 C HIS A 36 11.228 -4.611 -7.800 1.00 0.00 C ATOM 556 O HIS A 36 12.395 -4.765 -8.098 1.00 0.00 O ATOM 557 CB HIS A 36 8.990 -5.343 -8.638 1.00 0.00 C ATOM 558 CG HIS A 36 8.245 -6.561 -9.107 1.00 0.00 C ATOM 559 ND1 HIS A 36 8.640 -7.285 -10.221 1.00 0.00 N ATOM 560 CD2 HIS A 36 7.127 -7.196 -8.626 1.00 0.00 C ATOM 561 CE1 HIS A 36 7.774 -8.305 -10.371 1.00 0.00 C ATOM 562 NE2 HIS A 36 6.832 -8.297 -9.424 1.00 0.00 N ATOM 0 H HIS A 36 9.164 -5.542 -6.030 1.00 0.00 H new ATOM 0 HA HIS A 36 10.693 -6.626 -8.361 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.347 -4.731 -8.006 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.277 -4.728 -9.491 1.00 0.00 H new ATOM 0 HD1 HIS A 36 9.441 -7.082 -10.819 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.562 -6.888 -7.759 1.00 0.00 H new ATOM 0 HE1 HIS A 36 7.834 -9.040 -11.160 1.00 0.00 H new ATOM 570 N TYR A 37 10.776 -3.448 -7.411 1.00 0.00 N ATOM 571 CA TYR A 37 11.700 -2.280 -7.326 1.00 0.00 C ATOM 572 C TYR A 37 12.291 -2.209 -5.911 1.00 0.00 C ATOM 573 O TYR A 37 11.558 -2.203 -4.941 1.00 0.00 O ATOM 574 CB TYR A 37 10.924 -0.991 -7.619 1.00 0.00 C ATOM 575 CG TYR A 37 10.163 -1.149 -8.912 1.00 0.00 C ATOM 576 CD1 TYR A 37 10.819 -1.625 -10.052 1.00 0.00 C ATOM 577 CD2 TYR A 37 8.803 -0.824 -8.969 1.00 0.00 C ATOM 578 CE1 TYR A 37 10.114 -1.777 -11.251 1.00 0.00 C ATOM 579 CE2 TYR A 37 8.097 -0.975 -10.169 1.00 0.00 C ATOM 580 CZ TYR A 37 8.754 -1.452 -11.310 1.00 0.00 C ATOM 581 OH TYR A 37 8.059 -1.603 -12.493 1.00 0.00 O ATOM 0 H TYR A 37 9.809 -3.257 -7.149 1.00 0.00 H new ATOM 0 HA TYR A 37 12.502 -2.393 -8.055 1.00 0.00 H new ATOM 0 HB2 TYR A 37 10.235 -0.774 -6.803 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.611 -0.148 -7.689 1.00 0.00 H new ATOM 0 HD1 TYR A 37 11.869 -1.875 -10.007 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.298 -0.457 -8.088 1.00 0.00 H new ATOM 0 HE1 TYR A 37 10.620 -2.145 -12.131 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.048 -0.724 -10.214 1.00 0.00 H new ATOM 0 HH TYR A 37 8.411 -0.978 -13.161 1.00 0.00 H new ATOM 591 N PRO A 38 13.599 -2.164 -5.830 1.00 0.00 N ATOM 592 CA PRO A 38 14.310 -2.102 -4.540 1.00 0.00 C ATOM 593 C PRO A 38 14.254 -0.688 -3.952 1.00 0.00 C ATOM 594 O PRO A 38 14.218 -0.508 -2.750 1.00 0.00 O ATOM 595 CB PRO A 38 15.748 -2.486 -4.902 1.00 0.00 C ATOM 596 CG PRO A 38 15.909 -2.195 -6.413 1.00 0.00 C ATOM 597 CD PRO A 38 14.490 -2.170 -7.009 1.00 0.00 C ATOM 0 HA PRO A 38 13.874 -2.756 -3.785 1.00 0.00 H new ATOM 0 HB2 PRO A 38 16.464 -1.909 -4.317 1.00 0.00 H new ATOM 0 HB3 PRO A 38 15.935 -3.538 -4.687 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.413 -1.242 -6.573 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.517 -2.962 -6.893 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.335 -1.287 -7.630 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.308 -3.040 -7.641 1.00 0.00 H new ATOM 605 N TYR A 39 14.252 0.319 -4.782 1.00 0.00 N ATOM 606 CA TYR A 39 14.204 1.711 -4.254 1.00 0.00 C ATOM 607 C TYR A 39 12.930 1.907 -3.430 1.00 0.00 C ATOM 608 O TYR A 39 12.927 2.602 -2.433 1.00 0.00 O ATOM 609 CB TYR A 39 14.218 2.709 -5.412 1.00 0.00 C ATOM 610 CG TYR A 39 14.476 4.096 -4.871 1.00 0.00 C ATOM 611 CD1 TYR A 39 13.406 4.888 -4.437 1.00 0.00 C ATOM 612 CD2 TYR A 39 15.785 4.587 -4.796 1.00 0.00 C ATOM 613 CE1 TYR A 39 13.644 6.170 -3.927 1.00 0.00 C ATOM 614 CE2 TYR A 39 16.023 5.870 -4.289 1.00 0.00 C ATOM 615 CZ TYR A 39 14.954 6.662 -3.854 1.00 0.00 C ATOM 616 OH TYR A 39 15.190 7.925 -3.351 1.00 0.00 O ATOM 0 H TYR A 39 14.281 0.239 -5.798 1.00 0.00 H new ATOM 0 HA TYR A 39 15.076 1.880 -3.622 1.00 0.00 H new ATOM 0 HB2 TYR A 39 14.990 2.437 -6.132 1.00 0.00 H new ATOM 0 HB3 TYR A 39 13.265 2.684 -5.941 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.396 4.510 -4.496 1.00 0.00 H new ATOM 0 HD2 TYR A 39 16.611 3.976 -5.129 1.00 0.00 H new ATOM 0 HE1 TYR A 39 12.818 6.779 -3.590 1.00 0.00 H new ATOM 0 HE2 TYR A 39 17.033 6.249 -4.233 1.00 0.00 H new ATOM 0 HH TYR A 39 16.152 8.110 -3.370 1.00 0.00 H new ATOM 626 N TYR A 40 11.847 1.303 -3.836 1.00 0.00 N ATOM 627 CA TYR A 40 10.579 1.462 -3.072 1.00 0.00 C ATOM 628 C TYR A 40 10.516 0.414 -1.959 1.00 0.00 C ATOM 629 O TYR A 40 9.907 -0.626 -2.104 1.00 0.00 O ATOM 630 CB TYR A 40 9.387 1.287 -4.014 1.00 0.00 C ATOM 631 CG TYR A 40 9.097 2.605 -4.687 1.00 0.00 C ATOM 632 CD1 TYR A 40 10.155 3.445 -5.053 1.00 0.00 C ATOM 633 CD2 TYR A 40 7.776 2.994 -4.939 1.00 0.00 C ATOM 634 CE1 TYR A 40 9.896 4.670 -5.671 1.00 0.00 C ATOM 635 CE2 TYR A 40 7.516 4.221 -5.558 1.00 0.00 C ATOM 636 CZ TYR A 40 8.574 5.058 -5.923 1.00 0.00 C ATOM 637 OH TYR A 40 8.316 6.267 -6.529 1.00 0.00 O ATOM 0 H TYR A 40 11.786 0.708 -4.662 1.00 0.00 H new ATOM 0 HA TYR A 40 10.545 2.458 -2.631 1.00 0.00 H new ATOM 0 HB2 TYR A 40 9.606 0.523 -4.760 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.513 0.948 -3.457 1.00 0.00 H new ATOM 0 HD1 TYR A 40 11.174 3.145 -4.857 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.959 2.347 -4.656 1.00 0.00 H new ATOM 0 HE1 TYR A 40 10.713 5.317 -5.954 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.497 4.522 -5.754 1.00 0.00 H new ATOM 0 HH TYR A 40 7.348 6.382 -6.631 1.00 0.00 H new ATOM 647 N ARG A 41 11.143 0.686 -0.847 1.00 0.00 N ATOM 648 CA ARG A 41 11.123 -0.287 0.281 1.00 0.00 C ATOM 649 C ARG A 41 11.590 0.412 1.560 1.00 0.00 C ATOM 650 O ARG A 41 10.929 0.373 2.580 1.00 0.00 O ATOM 651 CB ARG A 41 12.060 -1.456 -0.032 1.00 0.00 C ATOM 652 CG ARG A 41 12.117 -2.397 1.172 1.00 0.00 C ATOM 653 CD ARG A 41 13.047 -3.571 0.860 1.00 0.00 C ATOM 654 NE ARG A 41 13.485 -4.208 2.134 1.00 0.00 N ATOM 655 CZ ARG A 41 12.763 -5.153 2.670 1.00 0.00 C ATOM 656 NH1 ARG A 41 11.809 -4.848 3.506 1.00 0.00 N ATOM 657 NH2 ARG A 41 12.995 -6.402 2.371 1.00 0.00 N ATOM 0 H ARG A 41 11.669 1.542 -0.671 1.00 0.00 H new ATOM 0 HA ARG A 41 10.109 -0.664 0.418 1.00 0.00 H new ATOM 0 HB2 ARG A 41 11.707 -1.994 -0.912 1.00 0.00 H new ATOM 0 HB3 ARG A 41 13.058 -1.084 -0.265 1.00 0.00 H new ATOM 0 HG2 ARG A 41 12.475 -1.860 2.050 1.00 0.00 H new ATOM 0 HG3 ARG A 41 11.118 -2.764 1.408 1.00 0.00 H new ATOM 0 HD2 ARG A 41 12.533 -4.300 0.234 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.914 -3.223 0.298 1.00 0.00 H new ATOM 0 HE ARG A 41 14.348 -3.906 2.586 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.628 -3.872 3.740 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.244 -5.586 3.926 1.00 0.00 H new ATOM 0 HH21 ARG A 41 13.741 -6.640 1.718 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.430 -7.140 2.791 1.00 0.00 H new ATOM 671 N THR A 42 12.725 1.055 1.512 1.00 0.00 N ATOM 672 CA THR A 42 13.235 1.762 2.720 1.00 0.00 C ATOM 673 C THR A 42 14.022 2.998 2.286 1.00 0.00 C ATOM 674 O THR A 42 15.047 3.326 2.852 1.00 0.00 O ATOM 675 CB THR A 42 14.152 0.829 3.513 1.00 0.00 C ATOM 676 OG1 THR A 42 14.365 -0.366 2.773 1.00 0.00 O ATOM 677 CG2 THR A 42 13.501 0.492 4.856 1.00 0.00 C ATOM 0 H THR A 42 13.321 1.121 0.687 1.00 0.00 H new ATOM 0 HA THR A 42 12.395 2.062 3.347 1.00 0.00 H new ATOM 0 HB THR A 42 15.108 1.322 3.689 1.00 0.00 H new ATOM 0 HG1 THR A 42 14.954 -0.964 3.279 1.00 0.00 H new ATOM 0 HG21 THR A 42 14.155 -0.173 5.421 1.00 0.00 H new ATOM 0 HG22 THR A 42 13.340 1.409 5.422 1.00 0.00 H new ATOM 0 HG23 THR A 42 12.544 -0.001 4.683 1.00 0.00 H new ATOM 685 N ALA A 43 13.553 3.687 1.282 1.00 0.00 N ATOM 686 CA ALA A 43 14.276 4.900 0.808 1.00 0.00 C ATOM 687 C ALA A 43 13.574 6.155 1.333 1.00 0.00 C ATOM 688 O ALA A 43 14.210 7.112 1.727 1.00 0.00 O ATOM 689 CB ALA A 43 14.285 4.922 -0.722 1.00 0.00 C ATOM 0 H ALA A 43 12.700 3.462 0.770 1.00 0.00 H new ATOM 0 HA ALA A 43 15.301 4.878 1.178 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.814 5.809 -1.070 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.788 4.030 -1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.260 4.942 -1.092 1.00 0.00 H new ATOM 695 N ASP A 44 12.268 6.162 1.340 1.00 0.00 N ATOM 696 CA ASP A 44 11.535 7.358 1.842 1.00 0.00 C ATOM 697 C ASP A 44 10.087 6.978 2.161 1.00 0.00 C ATOM 698 O ASP A 44 9.526 6.078 1.568 1.00 0.00 O ATOM 699 CB ASP A 44 11.549 8.451 0.769 1.00 0.00 C ATOM 700 CG ASP A 44 11.990 9.778 1.392 1.00 0.00 C ATOM 701 OD1 ASP A 44 12.187 9.808 2.597 1.00 0.00 O ATOM 702 OD2 ASP A 44 12.124 10.740 0.655 1.00 0.00 O ATOM 0 H ASP A 44 11.679 5.393 1.021 1.00 0.00 H new ATOM 0 HA ASP A 44 12.020 7.726 2.746 1.00 0.00 H new ATOM 0 HB2 ASP A 44 12.227 8.174 -0.038 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.557 8.556 0.330 1.00 0.00 H new ATOM 707 N LYS A 45 9.478 7.657 3.095 1.00 0.00 N ATOM 708 CA LYS A 45 8.067 7.338 3.454 1.00 0.00 C ATOM 709 C LYS A 45 7.118 8.175 2.592 1.00 0.00 C ATOM 710 O LYS A 45 6.053 8.566 3.025 1.00 0.00 O ATOM 711 CB LYS A 45 7.833 7.662 4.931 1.00 0.00 C ATOM 712 CG LYS A 45 8.224 9.116 5.203 1.00 0.00 C ATOM 713 CD LYS A 45 7.212 9.746 6.164 1.00 0.00 C ATOM 714 CE LYS A 45 7.925 10.754 7.066 1.00 0.00 C ATOM 715 NZ LYS A 45 8.794 10.028 8.035 1.00 0.00 N ATOM 0 H LYS A 45 9.898 8.420 3.626 1.00 0.00 H new ATOM 0 HA LYS A 45 7.878 6.279 3.278 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.786 7.502 5.188 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.421 6.993 5.559 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.225 9.160 5.632 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.252 9.677 4.269 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.420 10.241 5.602 1.00 0.00 H new ATOM 0 HD3 LYS A 45 6.738 8.973 6.768 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.525 11.436 6.464 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.194 11.360 7.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.882 10.586 8.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.371 9.104 8.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.736 9.886 7.618 1.00 0.00 H new ATOM 729 N GLY A 46 7.497 8.453 1.375 1.00 0.00 N ATOM 730 CA GLY A 46 6.618 9.266 0.487 1.00 0.00 C ATOM 731 C GLY A 46 5.544 8.367 -0.133 1.00 0.00 C ATOM 732 O GLY A 46 4.372 8.485 0.167 1.00 0.00 O ATOM 0 H GLY A 46 8.377 8.152 0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.150 10.069 1.057 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.211 9.736 -0.298 1.00 0.00 H new ATOM 736 N TRP A 47 5.934 7.476 -1.002 1.00 0.00 N ATOM 737 CA TRP A 47 4.939 6.577 -1.652 1.00 0.00 C ATOM 738 C TRP A 47 4.188 5.766 -0.594 1.00 0.00 C ATOM 739 O TRP A 47 3.138 5.214 -0.857 1.00 0.00 O ATOM 740 CB TRP A 47 5.657 5.621 -2.610 1.00 0.00 C ATOM 741 CG TRP A 47 6.504 4.651 -1.845 1.00 0.00 C ATOM 742 CD1 TRP A 47 7.531 4.980 -1.024 1.00 0.00 C ATOM 743 CD2 TRP A 47 6.420 3.197 -1.829 1.00 0.00 C ATOM 744 NE1 TRP A 47 8.083 3.822 -0.513 1.00 0.00 N ATOM 745 CE2 TRP A 47 7.435 2.698 -0.977 1.00 0.00 C ATOM 746 CE3 TRP A 47 5.572 2.269 -2.464 1.00 0.00 C ATOM 747 CZ2 TRP A 47 7.606 1.332 -0.765 1.00 0.00 C ATOM 748 CZ3 TRP A 47 5.743 0.892 -2.251 1.00 0.00 C ATOM 749 CH2 TRP A 47 6.759 0.426 -1.404 1.00 0.00 C ATOM 0 H TRP A 47 6.901 7.331 -1.291 1.00 0.00 H new ATOM 0 HA TRP A 47 4.225 7.186 -2.207 1.00 0.00 H new ATOM 0 HB2 TRP A 47 4.925 5.080 -3.210 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.279 6.189 -3.302 1.00 0.00 H new ATOM 0 HD1 TRP A 47 7.863 5.984 -0.805 1.00 0.00 H new ATOM 0 HE1 TRP A 47 8.875 3.801 0.130 1.00 0.00 H new ATOM 0 HE3 TRP A 47 4.787 2.618 -3.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 8.388 0.977 -0.111 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 5.088 0.187 -2.742 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.886 -0.635 -1.246 1.00 0.00 H new ATOM 760 N GLN A 48 4.705 5.690 0.600 1.00 0.00 N ATOM 761 CA GLN A 48 3.996 4.914 1.656 1.00 0.00 C ATOM 762 C GLN A 48 2.571 5.454 1.800 1.00 0.00 C ATOM 763 O GLN A 48 1.612 4.812 1.416 1.00 0.00 O ATOM 764 CB GLN A 48 4.736 5.061 2.987 1.00 0.00 C ATOM 765 CG GLN A 48 6.143 4.474 2.861 1.00 0.00 C ATOM 766 CD GLN A 48 6.048 3.009 2.433 1.00 0.00 C ATOM 767 OE1 GLN A 48 6.171 2.118 3.248 1.00 0.00 O ATOM 768 NE2 GLN A 48 5.833 2.721 1.178 1.00 0.00 N ATOM 0 H GLN A 48 5.580 6.127 0.889 1.00 0.00 H new ATOM 0 HA GLN A 48 3.965 3.860 1.379 1.00 0.00 H new ATOM 0 HB2 GLN A 48 4.794 6.113 3.268 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.187 4.549 3.778 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.721 5.041 2.131 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.668 4.552 3.813 1.00 0.00 H new ATOM 0 HE21 GLN A 48 5.730 3.470 0.493 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.768 1.747 0.882 1.00 0.00 H new ATOM 777 N ASN A 49 2.425 6.629 2.348 1.00 0.00 N ATOM 778 CA ASN A 49 1.064 7.214 2.514 1.00 0.00 C ATOM 779 C ASN A 49 0.520 7.646 1.148 1.00 0.00 C ATOM 780 O ASN A 49 -0.664 7.854 0.979 1.00 0.00 O ATOM 781 CB ASN A 49 1.142 8.429 3.441 1.00 0.00 C ATOM 782 CG ASN A 49 1.855 9.575 2.719 1.00 0.00 C ATOM 783 OD1 ASN A 49 1.388 10.051 1.703 1.00 0.00 O ATOM 784 ND2 ASN A 49 2.974 10.039 3.203 1.00 0.00 N ATOM 0 H ASN A 49 3.191 7.210 2.689 1.00 0.00 H new ATOM 0 HA ASN A 49 0.399 6.467 2.948 1.00 0.00 H new ATOM 0 HB2 ASN A 49 0.140 8.739 3.737 1.00 0.00 H new ATOM 0 HB3 ASN A 49 1.679 8.170 4.354 1.00 0.00 H new ATOM 0 HD21 ASN A 49 3.457 10.802 2.729 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.365 9.639 4.056 1.00 0.00 H new ATOM 791 N SER A 50 1.376 7.785 0.172 1.00 0.00 N ATOM 792 CA SER A 50 0.906 8.203 -1.179 1.00 0.00 C ATOM 793 C SER A 50 0.084 7.076 -1.809 1.00 0.00 C ATOM 794 O SER A 50 -0.962 7.303 -2.384 1.00 0.00 O ATOM 795 CB SER A 50 2.114 8.509 -2.064 1.00 0.00 C ATOM 796 OG SER A 50 1.856 9.683 -2.823 1.00 0.00 O ATOM 0 H SER A 50 2.380 7.627 0.252 1.00 0.00 H new ATOM 0 HA SER A 50 0.285 9.094 -1.087 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.003 8.648 -1.449 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.314 7.669 -2.729 1.00 0.00 H new ATOM 0 HG SER A 50 2.630 9.882 -3.390 1.00 0.00 H new ATOM 802 N ILE A 51 0.550 5.861 -1.703 1.00 0.00 N ATOM 803 CA ILE A 51 -0.201 4.716 -2.293 1.00 0.00 C ATOM 804 C ILE A 51 -1.634 4.717 -1.755 1.00 0.00 C ATOM 805 O ILE A 51 -2.583 4.906 -2.490 1.00 0.00 O ATOM 806 CB ILE A 51 0.494 3.400 -1.908 1.00 0.00 C ATOM 807 CG1 ILE A 51 1.740 3.137 -2.776 1.00 0.00 C ATOM 808 CG2 ILE A 51 -0.469 2.232 -2.103 1.00 0.00 C ATOM 809 CD1 ILE A 51 2.195 4.405 -3.508 1.00 0.00 C ATOM 0 H ILE A 51 1.420 5.612 -1.232 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.222 4.811 -3.379 1.00 0.00 H new ATOM 0 HB ILE A 51 0.798 3.488 -0.865 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.551 2.768 -2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 51 1.519 2.356 -3.503 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.028 1.301 -1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.346 2.375 -1.472 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.777 2.185 -3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 51 3.076 4.181 -4.110 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.393 4.759 -4.156 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.440 5.178 -2.779 1.00 0.00 H new ATOM 821 N ARG A 52 -1.803 4.502 -0.476 1.00 0.00 N ATOM 822 CA ARG A 52 -3.180 4.488 0.087 1.00 0.00 C ATOM 823 C ARG A 52 -3.923 5.731 -0.402 1.00 0.00 C ATOM 824 O ARG A 52 -5.111 5.696 -0.654 1.00 0.00 O ATOM 825 CB ARG A 52 -3.121 4.476 1.619 1.00 0.00 C ATOM 826 CG ARG A 52 -2.131 5.532 2.113 1.00 0.00 C ATOM 827 CD ARG A 52 -2.755 6.316 3.269 1.00 0.00 C ATOM 828 NE ARG A 52 -3.507 7.483 2.730 1.00 0.00 N ATOM 829 CZ ARG A 52 -4.695 7.763 3.190 1.00 0.00 C ATOM 830 NH1 ARG A 52 -5.606 6.830 3.259 1.00 0.00 N ATOM 831 NH2 ARG A 52 -4.975 8.976 3.582 1.00 0.00 N ATOM 0 H ARG A 52 -1.053 4.337 0.195 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.705 3.592 -0.244 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.111 4.673 2.031 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.819 3.490 1.972 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.207 5.055 2.440 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.869 6.209 1.300 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.423 5.672 3.840 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.978 6.656 3.953 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.093 8.064 2.001 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.389 5.882 2.953 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.535 7.050 3.619 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.265 9.706 3.529 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.904 9.194 3.942 1.00 0.00 H new ATOM 845 N HIS A 53 -3.229 6.824 -0.564 1.00 0.00 N ATOM 846 CA HIS A 53 -3.896 8.055 -1.065 1.00 0.00 C ATOM 847 C HIS A 53 -4.148 7.891 -2.565 1.00 0.00 C ATOM 848 O HIS A 53 -5.167 8.300 -3.087 1.00 0.00 O ATOM 849 CB HIS A 53 -2.998 9.268 -0.818 1.00 0.00 C ATOM 850 CG HIS A 53 -3.854 10.456 -0.472 1.00 0.00 C ATOM 851 ND1 HIS A 53 -4.956 10.816 -1.230 1.00 0.00 N ATOM 852 CD2 HIS A 53 -3.787 11.370 0.552 1.00 0.00 C ATOM 853 CE1 HIS A 53 -5.505 11.902 -0.657 1.00 0.00 C ATOM 854 NE2 HIS A 53 -4.832 12.282 0.433 1.00 0.00 N ATOM 0 H HIS A 53 -2.232 6.916 -0.371 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.840 8.209 -0.542 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.300 9.059 -0.007 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -2.402 9.481 -1.705 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -3.038 11.379 1.330 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.383 12.406 -1.032 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -5.039 13.071 1.046 1.00 0.00 H new ATOM 862 N ASN A 54 -3.226 7.276 -3.257 1.00 0.00 N ATOM 863 CA ASN A 54 -3.404 7.057 -4.719 1.00 0.00 C ATOM 864 C ASN A 54 -4.496 6.011 -4.925 1.00 0.00 C ATOM 865 O ASN A 54 -5.315 6.115 -5.817 1.00 0.00 O ATOM 866 CB ASN A 54 -2.096 6.544 -5.323 1.00 0.00 C ATOM 867 CG ASN A 54 -1.030 7.638 -5.238 1.00 0.00 C ATOM 868 OD1 ASN A 54 -1.261 8.761 -5.641 1.00 0.00 O ATOM 869 ND2 ASN A 54 0.137 7.357 -4.725 1.00 0.00 N ATOM 0 H ASN A 54 -2.354 6.915 -2.869 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.682 7.993 -5.203 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.762 5.654 -4.790 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -2.252 6.254 -6.362 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.854 8.080 -4.663 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.332 6.415 -4.386 1.00 0.00 H new ATOM 876 N LEU A 55 -4.509 5.003 -4.099 1.00 0.00 N ATOM 877 CA LEU A 55 -5.543 3.943 -4.230 1.00 0.00 C ATOM 878 C LEU A 55 -6.931 4.575 -4.125 1.00 0.00 C ATOM 879 O LEU A 55 -7.918 4.013 -4.558 1.00 0.00 O ATOM 880 CB LEU A 55 -5.353 2.924 -3.107 1.00 0.00 C ATOM 881 CG LEU A 55 -3.962 2.299 -3.210 1.00 0.00 C ATOM 882 CD1 LEU A 55 -3.685 1.471 -1.955 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.903 1.398 -4.446 1.00 0.00 C ATOM 0 H LEU A 55 -3.845 4.868 -3.336 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.448 3.445 -5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.474 3.409 -2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.117 2.149 -3.173 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.211 3.084 -3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.693 1.024 -2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.731 2.115 -1.077 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.433 0.683 -1.867 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.912 0.950 -4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.651 0.610 -4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.103 1.991 -5.338 1.00 0.00 H new ATOM 895 N SER A 56 -7.016 5.745 -3.552 1.00 0.00 N ATOM 896 CA SER A 56 -8.340 6.415 -3.418 1.00 0.00 C ATOM 897 C SER A 56 -8.620 7.261 -4.662 1.00 0.00 C ATOM 898 O SER A 56 -9.674 7.171 -5.261 1.00 0.00 O ATOM 899 CB SER A 56 -8.333 7.318 -2.185 1.00 0.00 C ATOM 900 OG SER A 56 -7.397 8.370 -2.378 1.00 0.00 O ATOM 0 H SER A 56 -6.226 6.265 -3.171 1.00 0.00 H new ATOM 0 HA SER A 56 -9.116 5.657 -3.313 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.328 7.728 -2.015 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.071 6.740 -1.299 1.00 0.00 H new ATOM 0 HG SER A 56 -6.488 8.003 -2.382 1.00 0.00 H new ATOM 906 N LEU A 57 -7.690 8.091 -5.052 1.00 0.00 N ATOM 907 CA LEU A 57 -7.911 8.948 -6.252 1.00 0.00 C ATOM 908 C LEU A 57 -7.741 8.115 -7.525 1.00 0.00 C ATOM 909 O LEU A 57 -8.304 8.427 -8.556 1.00 0.00 O ATOM 910 CB LEU A 57 -6.899 10.098 -6.256 1.00 0.00 C ATOM 911 CG LEU A 57 -5.486 9.547 -6.062 1.00 0.00 C ATOM 912 CD1 LEU A 57 -4.674 9.761 -7.342 1.00 0.00 C ATOM 913 CD2 LEU A 57 -4.810 10.284 -4.903 1.00 0.00 C ATOM 0 H LEU A 57 -6.788 8.212 -4.592 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.922 9.353 -6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.960 10.644 -7.197 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.136 10.805 -5.461 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.538 8.481 -5.838 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.667 9.368 -7.204 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.156 9.241 -8.170 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.620 10.827 -7.565 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.802 9.893 -4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.758 11.349 -5.130 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.388 10.135 -3.991 1.00 0.00 H new ATOM 925 N ASN A 58 -6.976 7.060 -7.468 1.00 0.00 N ATOM 926 CA ASN A 58 -6.784 6.220 -8.685 1.00 0.00 C ATOM 927 C ASN A 58 -8.151 5.882 -9.284 1.00 0.00 C ATOM 928 O ASN A 58 -9.114 5.669 -8.574 1.00 0.00 O ATOM 929 CB ASN A 58 -6.048 4.931 -8.312 1.00 0.00 C ATOM 930 CG ASN A 58 -4.539 5.169 -8.399 1.00 0.00 C ATOM 931 OD1 ASN A 58 -3.794 4.292 -8.790 1.00 0.00 O ATOM 932 ND2 ASN A 58 -4.054 6.330 -8.052 1.00 0.00 N ATOM 0 H ASN A 58 -6.478 6.744 -6.636 1.00 0.00 H new ATOM 0 HA ASN A 58 -6.191 6.768 -9.417 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.322 4.621 -7.304 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.340 4.124 -8.984 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.050 6.501 -8.109 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.679 7.066 -7.724 1.00 0.00 H new ATOM 939 N ARG A 59 -8.248 5.847 -10.584 1.00 0.00 N ATOM 940 CA ARG A 59 -9.557 5.539 -11.226 1.00 0.00 C ATOM 941 C ARG A 59 -9.701 4.031 -11.448 1.00 0.00 C ATOM 942 O ARG A 59 -10.760 3.551 -11.800 1.00 0.00 O ATOM 943 CB ARG A 59 -9.644 6.256 -12.575 1.00 0.00 C ATOM 944 CG ARG A 59 -8.604 5.669 -13.531 1.00 0.00 C ATOM 945 CD ARG A 59 -8.875 6.166 -14.952 1.00 0.00 C ATOM 946 NE ARG A 59 -10.344 6.309 -15.159 1.00 0.00 N ATOM 947 CZ ARG A 59 -10.841 7.454 -15.535 1.00 0.00 C ATOM 948 NH1 ARG A 59 -10.962 7.729 -16.806 1.00 0.00 N ATOM 949 NH2 ARG A 59 -11.219 8.326 -14.642 1.00 0.00 N ATOM 0 H ARG A 59 -7.477 6.018 -11.230 1.00 0.00 H new ATOM 0 HA ARG A 59 -10.358 5.880 -10.570 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -10.644 6.144 -12.995 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -9.471 7.324 -12.443 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.602 5.961 -13.218 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.642 4.580 -13.502 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.380 7.123 -15.114 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.461 5.466 -15.678 1.00 0.00 H new ATOM 0 HE ARG A 59 -10.961 5.511 -15.006 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.668 7.048 -17.506 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.351 8.625 -17.099 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.126 8.112 -13.649 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.608 9.222 -14.937 1.00 0.00 H new ATOM 963 N TYR A 60 -8.654 3.276 -11.258 1.00 0.00 N ATOM 964 CA TYR A 60 -8.766 1.805 -11.478 1.00 0.00 C ATOM 965 C TYR A 60 -8.373 1.041 -10.215 1.00 0.00 C ATOM 966 O TYR A 60 -7.884 -0.069 -10.281 1.00 0.00 O ATOM 967 CB TYR A 60 -7.850 1.378 -12.622 1.00 0.00 C ATOM 968 CG TYR A 60 -6.569 2.178 -12.594 1.00 0.00 C ATOM 969 CD1 TYR A 60 -5.775 2.207 -11.439 1.00 0.00 C ATOM 970 CD2 TYR A 60 -6.171 2.887 -13.732 1.00 0.00 C ATOM 971 CE1 TYR A 60 -4.587 2.949 -11.427 1.00 0.00 C ATOM 972 CE2 TYR A 60 -4.985 3.627 -13.721 1.00 0.00 C ATOM 973 CZ TYR A 60 -4.192 3.657 -12.569 1.00 0.00 C ATOM 974 OH TYR A 60 -3.021 4.388 -12.558 1.00 0.00 O ATOM 0 H TYR A 60 -7.736 3.608 -10.963 1.00 0.00 H new ATOM 0 HA TYR A 60 -9.802 1.576 -11.728 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.625 0.315 -12.539 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.357 1.523 -13.576 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.079 1.658 -10.560 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -6.782 2.863 -14.622 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.976 2.975 -10.537 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.681 4.175 -14.601 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.421 4.055 -13.258 1.00 0.00 H new ATOM 984 N PHE A 61 -8.591 1.608 -9.064 1.00 0.00 N ATOM 985 CA PHE A 61 -8.235 0.885 -7.814 1.00 0.00 C ATOM 986 C PHE A 61 -9.412 0.945 -6.845 1.00 0.00 C ATOM 987 O PHE A 61 -10.007 1.983 -6.632 1.00 0.00 O ATOM 988 CB PHE A 61 -7.002 1.523 -7.171 1.00 0.00 C ATOM 989 CG PHE A 61 -5.753 1.162 -7.952 1.00 0.00 C ATOM 990 CD1 PHE A 61 -5.676 -0.037 -8.681 1.00 0.00 C ATOM 991 CD2 PHE A 61 -4.659 2.033 -7.937 1.00 0.00 C ATOM 992 CE1 PHE A 61 -4.514 -0.353 -9.387 1.00 0.00 C ATOM 993 CE2 PHE A 61 -3.500 1.714 -8.643 1.00 0.00 C ATOM 994 CZ PHE A 61 -3.427 0.522 -9.368 1.00 0.00 C ATOM 0 H PHE A 61 -8.997 2.534 -8.934 1.00 0.00 H new ATOM 0 HA PHE A 61 -8.009 -0.155 -8.051 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.119 2.606 -7.140 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.905 1.184 -6.140 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.517 -0.715 -8.695 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.712 2.955 -7.377 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -4.456 -1.274 -9.948 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.657 2.389 -8.629 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.528 0.277 -9.914 1.00 0.00 H new ATOM 1004 N ILE A 62 -9.758 -0.168 -6.262 1.00 0.00 N ATOM 1005 CA ILE A 62 -10.906 -0.188 -5.312 1.00 0.00 C ATOM 1006 C ILE A 62 -10.594 -1.128 -4.147 1.00 0.00 C ATOM 1007 O ILE A 62 -9.539 -1.728 -4.081 1.00 0.00 O ATOM 1008 CB ILE A 62 -12.161 -0.675 -6.045 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -12.089 -2.192 -6.239 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -12.249 0.007 -7.412 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -13.191 -2.640 -7.200 1.00 0.00 C ATOM 0 H ILE A 62 -9.295 -1.066 -6.402 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.076 0.817 -4.925 1.00 0.00 H new ATOM 0 HB ILE A 62 -13.043 -0.427 -5.454 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.112 -2.472 -6.634 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -12.202 -2.697 -5.280 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -13.141 -0.339 -7.934 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.303 1.087 -7.277 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.365 -0.241 -8.000 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -13.138 -3.720 -7.337 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -14.164 -2.374 -6.787 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -13.058 -2.146 -8.162 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.511 -1.267 -3.227 1.00 0.00 N ATOM 1024 CA LYS A 63 -11.276 -2.171 -2.068 1.00 0.00 C ATOM 1025 C LYS A 63 -12.458 -3.134 -1.933 1.00 0.00 C ATOM 1026 O LYS A 63 -13.454 -3.007 -2.617 1.00 0.00 O ATOM 1027 CB LYS A 63 -11.142 -1.341 -0.790 1.00 0.00 C ATOM 1028 CG LYS A 63 -12.300 -0.348 -0.703 1.00 0.00 C ATOM 1029 CD LYS A 63 -11.996 0.693 0.376 1.00 0.00 C ATOM 1030 CE LYS A 63 -11.828 -0.006 1.725 1.00 0.00 C ATOM 1031 NZ LYS A 63 -12.930 0.410 2.638 1.00 0.00 N ATOM 0 H LYS A 63 -12.414 -0.792 -3.230 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.359 -2.738 -2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -11.143 -1.994 0.082 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.191 -0.808 -0.788 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.447 0.142 -1.666 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.226 -0.872 -0.468 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.088 1.241 0.123 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.804 1.423 0.430 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.841 -1.088 1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.863 0.250 2.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.818 -0.065 3.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.897 1.441 2.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.845 0.145 2.221 1.00 0.00 H new ATOM 1045 N VAL A 64 -12.356 -4.096 -1.059 1.00 0.00 N ATOM 1046 CA VAL A 64 -13.474 -5.066 -0.889 1.00 0.00 C ATOM 1047 C VAL A 64 -14.721 -4.324 -0.380 1.00 0.00 C ATOM 1048 O VAL A 64 -14.662 -3.644 0.624 1.00 0.00 O ATOM 1049 CB VAL A 64 -13.067 -6.133 0.128 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -12.146 -7.154 -0.544 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -12.327 -5.469 1.291 1.00 0.00 C ATOM 0 H VAL A 64 -11.548 -4.253 -0.456 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.697 -5.539 -1.846 1.00 0.00 H new ATOM 0 HB VAL A 64 -13.958 -6.638 0.502 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.856 -7.915 0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.671 -7.626 -1.375 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.255 -6.650 -0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -12.036 -6.228 2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -11.436 -4.965 0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -12.981 -4.740 1.770 1.00 0.00 H new ATOM 1218 N PHE A 76 -8.359 -4.309 2.649 1.00 0.00 N ATOM 1219 CA PHE A 76 -7.710 -5.043 1.528 1.00 0.00 C ATOM 1220 C PHE A 76 -7.939 -4.277 0.223 1.00 0.00 C ATOM 1221 O PHE A 76 -9.056 -4.123 -0.229 1.00 0.00 O ATOM 1222 CB PHE A 76 -8.313 -6.444 1.414 1.00 0.00 C ATOM 1223 CG PHE A 76 -7.212 -7.437 1.133 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -6.628 -7.490 -0.138 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -6.770 -8.302 2.142 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -5.603 -8.406 -0.401 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -5.745 -9.219 1.879 1.00 0.00 C ATOM 1228 CZ PHE A 76 -5.161 -9.271 0.607 1.00 0.00 C ATOM 0 HA PHE A 76 -6.640 -5.128 1.718 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.829 -6.707 2.337 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -9.055 -6.470 0.616 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.969 -6.823 -0.916 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.220 -8.262 3.123 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -5.153 -8.446 -1.382 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.405 -9.886 2.657 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.370 -9.978 0.404 1.00 0.00 H new ATOM 1238 N TRP A 77 -6.890 -3.785 -0.378 1.00 0.00 N ATOM 1239 CA TRP A 77 -7.046 -3.016 -1.646 1.00 0.00 C ATOM 1240 C TRP A 77 -7.215 -3.971 -2.831 1.00 0.00 C ATOM 1241 O TRP A 77 -6.869 -5.135 -2.764 1.00 0.00 O ATOM 1242 CB TRP A 77 -5.801 -2.157 -1.868 1.00 0.00 C ATOM 1243 CG TRP A 77 -6.031 -0.790 -1.313 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -5.483 -0.314 -0.172 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -6.853 0.283 -1.852 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -5.913 0.986 0.022 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -6.760 1.398 -0.987 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -7.661 0.395 -2.997 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -7.445 2.584 -1.251 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -8.352 1.587 -3.265 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -8.242 2.679 -2.394 1.00 0.00 C ATOM 0 H TRP A 77 -5.931 -3.882 -0.046 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.931 -2.384 -1.571 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -4.939 -2.616 -1.385 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -5.574 -2.095 -2.932 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -4.818 -0.860 0.481 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -5.638 1.568 0.813 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.751 -0.441 -3.675 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -7.360 3.423 -0.576 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -8.971 1.663 -4.147 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -8.774 3.595 -2.607 1.00 0.00 H new ATOM 1262 N ARG A 78 -7.743 -3.479 -3.918 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.935 -4.333 -5.124 1.00 0.00 C ATOM 1264 C ARG A 78 -8.090 -3.429 -6.345 1.00 0.00 C ATOM 1265 O ARG A 78 -8.679 -2.369 -6.268 1.00 0.00 O ATOM 1266 CB ARG A 78 -9.199 -5.178 -4.964 1.00 0.00 C ATOM 1267 CG ARG A 78 -9.032 -6.502 -5.711 1.00 0.00 C ATOM 1268 CD ARG A 78 -10.048 -7.515 -5.185 1.00 0.00 C ATOM 1269 NE ARG A 78 -11.348 -6.829 -4.948 1.00 0.00 N ATOM 1270 CZ ARG A 78 -12.367 -7.501 -4.486 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -12.171 -8.547 -3.731 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -13.582 -7.125 -4.779 1.00 0.00 N ATOM 0 H ARG A 78 -8.052 -2.513 -4.023 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.075 -4.992 -5.247 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.390 -5.367 -3.908 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.062 -4.637 -5.352 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.175 -6.349 -6.781 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.020 -6.883 -5.576 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.177 -8.325 -5.903 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.686 -7.964 -4.260 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.442 -5.833 -5.147 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -11.221 -8.840 -3.502 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -12.968 -9.072 -3.370 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.734 -6.307 -5.369 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -14.379 -7.649 -4.418 1.00 0.00 H new ATOM 1286 N ILE A 79 -7.573 -3.829 -7.473 1.00 0.00 N ATOM 1287 CA ILE A 79 -7.707 -2.972 -8.684 1.00 0.00 C ATOM 1288 C ILE A 79 -8.961 -3.378 -9.460 1.00 0.00 C ATOM 1289 O ILE A 79 -9.437 -4.491 -9.352 1.00 0.00 O ATOM 1290 CB ILE A 79 -6.468 -3.119 -9.574 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -6.546 -4.441 -10.351 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -5.212 -3.108 -8.703 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.166 -4.807 -10.904 1.00 0.00 C ATOM 0 H ILE A 79 -7.068 -4.705 -7.609 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.794 -1.930 -8.378 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.427 -2.289 -10.280 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.907 -5.235 -9.698 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.262 -4.350 -11.168 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.330 -3.213 -9.335 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.157 -2.167 -8.156 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.252 -3.937 -7.996 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.232 -5.746 -11.453 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.821 -4.018 -11.573 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.461 -4.917 -10.080 1.00 0.00 H new ATOM 1305 N ASP A 80 -9.500 -2.483 -10.239 1.00 0.00 N ATOM 1306 CA ASP A 80 -10.724 -2.815 -11.018 1.00 0.00 C ATOM 1307 C ASP A 80 -10.428 -3.994 -11.949 1.00 0.00 C ATOM 1308 O ASP A 80 -9.340 -4.103 -12.480 1.00 0.00 O ATOM 1309 CB ASP A 80 -11.146 -1.601 -11.848 1.00 0.00 C ATOM 1310 CG ASP A 80 -11.796 -0.559 -10.935 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -11.071 0.085 -10.193 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -13.006 -0.421 -10.993 1.00 0.00 O ATOM 0 H ASP A 80 -9.146 -1.536 -10.370 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.530 -3.084 -10.335 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.279 -1.171 -12.349 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.846 -1.905 -12.627 1.00 0.00 H new ATOM 1317 N PRO A 81 -11.407 -4.847 -12.115 1.00 0.00 N ATOM 1318 CA PRO A 81 -11.284 -6.037 -12.973 1.00 0.00 C ATOM 1319 C PRO A 81 -11.424 -5.651 -14.449 1.00 0.00 C ATOM 1320 O PRO A 81 -10.726 -6.161 -15.302 1.00 0.00 O ATOM 1321 CB PRO A 81 -12.448 -6.924 -12.524 1.00 0.00 C ATOM 1322 CG PRO A 81 -13.484 -5.984 -11.863 1.00 0.00 C ATOM 1323 CD PRO A 81 -12.725 -4.705 -11.464 1.00 0.00 C ATOM 0 HA PRO A 81 -10.318 -6.534 -12.883 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -12.886 -7.449 -13.373 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -12.108 -7.684 -11.820 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.295 -5.754 -12.554 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -13.934 -6.456 -10.990 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.244 -3.810 -11.807 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.627 -4.621 -10.382 1.00 0.00 H new ATOM 1331 N ALA A 82 -12.324 -4.757 -14.757 1.00 0.00 N ATOM 1332 CA ALA A 82 -12.507 -4.346 -16.178 1.00 0.00 C ATOM 1333 C ALA A 82 -11.471 -3.285 -16.546 1.00 0.00 C ATOM 1334 O ALA A 82 -11.389 -2.850 -17.677 1.00 0.00 O ATOM 1335 CB ALA A 82 -13.915 -3.781 -16.371 1.00 0.00 C ATOM 0 H ALA A 82 -12.939 -4.294 -14.088 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.375 -5.214 -16.824 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -14.047 -3.481 -17.410 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.651 -4.544 -16.117 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.052 -2.915 -15.723 1.00 0.00 H new ATOM 1341 N SER A 83 -10.661 -2.881 -15.607 1.00 0.00 N ATOM 1342 CA SER A 83 -9.615 -1.874 -15.913 1.00 0.00 C ATOM 1343 C SER A 83 -8.256 -2.540 -15.725 1.00 0.00 C ATOM 1344 O SER A 83 -7.230 -1.984 -16.056 1.00 0.00 O ATOM 1345 CB SER A 83 -9.744 -0.682 -14.964 1.00 0.00 C ATOM 1346 OG SER A 83 -11.100 -0.258 -14.925 1.00 0.00 O ATOM 0 H SER A 83 -10.681 -3.207 -14.641 1.00 0.00 H new ATOM 0 HA SER A 83 -9.725 -1.513 -16.935 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.409 -0.960 -13.965 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.105 0.135 -15.299 1.00 0.00 H new ATOM 0 HG SER A 83 -11.187 0.505 -14.316 1.00 0.00 H new ATOM 1352 N GLU A 84 -8.250 -3.741 -15.200 1.00 0.00 N ATOM 1353 CA GLU A 84 -6.969 -4.461 -14.987 1.00 0.00 C ATOM 1354 C GLU A 84 -6.252 -4.591 -16.320 1.00 0.00 C ATOM 1355 O GLU A 84 -5.133 -4.154 -16.466 1.00 0.00 O ATOM 1356 CB GLU A 84 -7.253 -5.851 -14.417 1.00 0.00 C ATOM 1357 CG GLU A 84 -5.947 -6.639 -14.319 1.00 0.00 C ATOM 1358 CD GLU A 84 -6.116 -7.783 -13.317 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -6.589 -8.833 -13.721 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -5.773 -7.589 -12.163 1.00 0.00 O ATOM 0 H GLU A 84 -9.085 -4.251 -14.910 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.344 -3.909 -14.285 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.713 -5.765 -13.432 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.962 -6.379 -15.055 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.675 -7.035 -15.297 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.136 -5.982 -14.004 1.00 0.00 H new ATOM 1367 N ALA A 85 -6.886 -5.164 -17.304 1.00 0.00 N ATOM 1368 CA ALA A 85 -6.216 -5.287 -18.627 1.00 0.00 C ATOM 1369 C ALA A 85 -5.864 -3.887 -19.132 1.00 0.00 C ATOM 1370 O ALA A 85 -5.068 -3.719 -20.035 1.00 0.00 O ATOM 1371 CB ALA A 85 -7.156 -5.972 -19.621 1.00 0.00 C ATOM 0 H ALA A 85 -7.829 -5.549 -17.251 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.310 -5.885 -18.528 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.661 -6.060 -20.588 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.413 -6.965 -19.253 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -8.064 -5.379 -19.731 1.00 0.00 H new ATOM 1377 N LYS A 86 -6.452 -2.877 -18.545 1.00 0.00 N ATOM 1378 CA LYS A 86 -6.156 -1.484 -18.974 1.00 0.00 C ATOM 1379 C LYS A 86 -5.009 -0.934 -18.119 1.00 0.00 C ATOM 1380 O LYS A 86 -3.976 -0.547 -18.628 1.00 0.00 O ATOM 1381 CB LYS A 86 -7.417 -0.626 -18.793 1.00 0.00 C ATOM 1382 CG LYS A 86 -7.049 0.852 -18.608 1.00 0.00 C ATOM 1383 CD LYS A 86 -6.093 1.297 -19.719 1.00 0.00 C ATOM 1384 CE LYS A 86 -5.031 2.225 -19.129 1.00 0.00 C ATOM 1385 NZ LYS A 86 -5.143 3.571 -19.756 1.00 0.00 N ATOM 0 H LYS A 86 -7.126 -2.961 -17.784 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.860 -1.463 -20.023 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.066 -0.738 -19.662 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.979 -0.976 -17.928 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.950 1.465 -18.626 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.582 1.000 -17.634 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.620 0.428 -20.177 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.645 1.811 -20.506 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.160 2.303 -18.050 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.037 1.813 -19.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -4.420 4.202 -19.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.999 3.489 -20.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.088 3.963 -19.569 1.00 0.00 H new ATOM 1399 N LEU A 87 -5.182 -0.893 -16.825 1.00 0.00 N ATOM 1400 CA LEU A 87 -4.094 -0.362 -15.952 1.00 0.00 C ATOM 1401 C LEU A 87 -2.789 -1.069 -16.274 1.00 0.00 C ATOM 1402 O LEU A 87 -1.811 -0.462 -16.660 1.00 0.00 O ATOM 1403 CB LEU A 87 -4.423 -0.589 -14.471 1.00 0.00 C ATOM 1404 CG LEU A 87 -5.218 -1.885 -14.277 1.00 0.00 C ATOM 1405 CD1 LEU A 87 -4.452 -2.820 -13.348 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -6.567 -1.563 -13.632 1.00 0.00 C ATOM 0 H LEU A 87 -6.023 -1.202 -16.337 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.001 0.708 -16.138 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.500 -0.634 -13.893 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.998 0.255 -14.089 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.367 -2.360 -15.247 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.018 -3.741 -13.211 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.481 -3.053 -13.786 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.308 -2.336 -12.382 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.133 -2.484 -13.494 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.404 -1.089 -12.664 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.127 -0.887 -14.278 1.00 0.00 H new ATOM 1418 N VAL A 88 -2.775 -2.351 -16.108 1.00 0.00 N ATOM 1419 CA VAL A 88 -1.550 -3.135 -16.386 1.00 0.00 C ATOM 1420 C VAL A 88 -0.869 -2.630 -17.659 1.00 0.00 C ATOM 1421 O VAL A 88 0.337 -2.695 -17.796 1.00 0.00 O ATOM 1422 CB VAL A 88 -1.960 -4.569 -16.607 1.00 0.00 C ATOM 1423 CG1 VAL A 88 -2.547 -5.149 -15.317 1.00 0.00 C ATOM 1424 CG2 VAL A 88 -3.006 -4.605 -17.720 1.00 0.00 C ATOM 0 H VAL A 88 -3.572 -2.900 -15.786 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.858 -3.038 -15.549 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.093 -5.166 -16.891 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.841 -6.185 -15.485 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.798 -5.108 -14.526 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.420 -4.568 -15.021 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.316 -5.635 -17.895 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.871 -4.011 -17.426 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.578 -4.194 -18.635 1.00 0.00 H new ATOM 1434 N GLU A 89 -1.631 -2.142 -18.596 1.00 0.00 N ATOM 1435 CA GLU A 89 -1.022 -1.652 -19.865 1.00 0.00 C ATOM 1436 C GLU A 89 0.072 -0.643 -19.526 1.00 0.00 C ATOM 1437 O GLU A 89 1.139 -0.653 -20.104 1.00 0.00 O ATOM 1438 CB GLU A 89 -2.096 -0.979 -20.725 1.00 0.00 C ATOM 1439 CG GLU A 89 -1.775 -1.187 -22.207 1.00 0.00 C ATOM 1440 CD GLU A 89 -2.687 -0.301 -23.057 1.00 0.00 C ATOM 1441 OE1 GLU A 89 -2.556 0.908 -22.967 1.00 0.00 O ATOM 1442 OE2 GLU A 89 -3.503 -0.846 -23.783 1.00 0.00 O ATOM 0 H GLU A 89 -2.646 -2.061 -18.540 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.596 -2.488 -20.420 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -3.076 -1.397 -20.493 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.142 0.086 -20.499 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.730 -0.944 -22.401 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -1.914 -2.234 -22.476 1.00 0.00 H new ATOM 1449 N GLN A 90 -0.173 0.211 -18.573 1.00 0.00 N ATOM 1450 CA GLN A 90 0.868 1.196 -18.177 1.00 0.00 C ATOM 1451 C GLN A 90 1.714 0.582 -17.059 1.00 0.00 C ATOM 1452 O GLN A 90 2.770 1.076 -16.721 1.00 0.00 O ATOM 1453 CB GLN A 90 0.200 2.475 -17.670 1.00 0.00 C ATOM 1454 CG GLN A 90 -0.972 2.113 -16.756 1.00 0.00 C ATOM 1455 CD GLN A 90 -1.324 3.313 -15.876 1.00 0.00 C ATOM 1456 OE1 GLN A 90 -1.642 3.156 -14.714 1.00 0.00 O ATOM 1457 NE2 GLN A 90 -1.278 4.514 -16.384 1.00 0.00 N ATOM 0 H GLN A 90 -1.048 0.269 -18.052 1.00 0.00 H new ATOM 0 HA GLN A 90 1.497 1.441 -19.033 1.00 0.00 H new ATOM 0 HB2 GLN A 90 0.923 3.085 -17.128 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.152 3.072 -18.511 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.836 1.821 -17.353 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.711 1.257 -16.134 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -1.011 4.645 -17.360 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.509 5.322 -15.805 1.00 0.00 H new ATOM 1466 N ALA A 91 1.250 -0.496 -16.483 1.00 0.00 N ATOM 1467 CA ALA A 91 2.014 -1.151 -15.386 1.00 0.00 C ATOM 1468 C ALA A 91 3.428 -1.484 -15.868 1.00 0.00 C ATOM 1469 O ALA A 91 4.402 -1.222 -15.189 1.00 0.00 O ATOM 1470 CB ALA A 91 1.298 -2.437 -14.969 1.00 0.00 C ATOM 0 H ALA A 91 0.371 -0.951 -16.728 1.00 0.00 H new ATOM 0 HA ALA A 91 2.077 -0.475 -14.534 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.855 -2.919 -14.166 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.293 -2.198 -14.621 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.235 -3.112 -15.823 1.00 0.00 H new ATOM 1476 N PHE A 92 3.549 -2.069 -17.029 1.00 0.00 N ATOM 1477 CA PHE A 92 4.901 -2.427 -17.548 1.00 0.00 C ATOM 1478 C PHE A 92 5.470 -1.269 -18.376 1.00 0.00 C ATOM 1479 O PHE A 92 6.633 -1.263 -18.728 1.00 0.00 O ATOM 1480 CB PHE A 92 4.791 -3.676 -18.423 1.00 0.00 C ATOM 1481 CG PHE A 92 3.739 -4.597 -17.853 1.00 0.00 C ATOM 1482 CD1 PHE A 92 3.794 -4.972 -16.506 1.00 0.00 C ATOM 1483 CD2 PHE A 92 2.706 -5.074 -18.670 1.00 0.00 C ATOM 1484 CE1 PHE A 92 2.819 -5.825 -15.975 1.00 0.00 C ATOM 1485 CE2 PHE A 92 1.732 -5.927 -18.139 1.00 0.00 C ATOM 1486 CZ PHE A 92 1.786 -6.302 -16.792 1.00 0.00 C ATOM 0 H PHE A 92 2.771 -2.315 -17.641 1.00 0.00 H new ATOM 0 HA PHE A 92 5.568 -2.623 -16.708 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.531 -3.396 -19.444 1.00 0.00 H new ATOM 0 HB3 PHE A 92 5.752 -4.188 -18.468 1.00 0.00 H new ATOM 0 HD1 PHE A 92 4.589 -4.603 -15.875 1.00 0.00 H new ATOM 0 HD2 PHE A 92 2.661 -4.784 -19.709 1.00 0.00 H new ATOM 0 HE1 PHE A 92 2.863 -6.115 -14.936 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.937 -6.297 -18.770 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.032 -6.958 -16.383 1.00 0.00 H new ATOM 1496 N ARG A 93 4.665 -0.292 -18.693 1.00 0.00 N ATOM 1497 CA ARG A 93 5.173 0.854 -19.501 1.00 0.00 C ATOM 1498 C ARG A 93 6.125 1.700 -18.655 1.00 0.00 C ATOM 1499 O ARG A 93 5.957 1.832 -17.458 1.00 0.00 O ATOM 1500 CB ARG A 93 3.996 1.717 -19.961 1.00 0.00 C ATOM 1501 CG ARG A 93 3.147 0.924 -20.956 1.00 0.00 C ATOM 1502 CD ARG A 93 3.791 0.986 -22.342 1.00 0.00 C ATOM 1503 NE ARG A 93 3.694 -0.352 -22.993 1.00 0.00 N ATOM 1504 CZ ARG A 93 2.913 -0.520 -24.025 1.00 0.00 C ATOM 1505 NH1 ARG A 93 1.647 -0.212 -23.942 1.00 0.00 N ATOM 1506 NH2 ARG A 93 3.398 -0.997 -25.139 1.00 0.00 N ATOM 0 H ARG A 93 3.681 -0.237 -18.429 1.00 0.00 H new ATOM 0 HA ARG A 93 5.707 0.472 -20.371 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.391 2.014 -19.104 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.361 2.633 -20.426 1.00 0.00 H new ATOM 0 HG2 ARG A 93 3.060 -0.113 -20.630 1.00 0.00 H new ATOM 0 HG3 ARG A 93 2.137 1.332 -20.994 1.00 0.00 H new ATOM 0 HD2 ARG A 93 3.292 1.737 -22.954 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.835 1.287 -22.257 1.00 0.00 H new ATOM 0 HE ARG A 93 4.238 -1.136 -22.632 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.269 0.160 -23.071 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.036 -0.343 -24.748 1.00 0.00 H new ATOM 0 HH21 ARG A 93 4.387 -1.238 -25.203 1.00 0.00 H new ATOM 0 HH22 ARG A 93 2.788 -1.128 -25.946 1.00 0.00 H new