USER MOD reduce.3.24.130724 H: found=0, std=0, add=1013, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 1011 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 105 MET CE :methyl -161:sc= -0.259 (180deg=-0.923) USER MOD Set 1.2: A 106 SER OG : rot 180:sc= 0.128 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -1.31 K(o=-1.3,f=-2.5!) USER MOD Single : A 13 ASN :FLIP amide:sc= -4.5! C(o=-6.2!,f=-4.5!) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.452 F(o=-1.2,f=-0.45) USER MOD Single : A 16 ASN : amide:sc= -1.23 K(o=-1.2,f=-3.1!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.53! USER MOD Single : A 28 HIS : no HD1:sc= -0.0116 X(o=-0.012,f=-0.0021) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -1.04 X(o=-1,f=-0.65!) USER MOD Single : A 32 LYS NZ :NH3+ 163:sc= -0.243 (180deg=-1.01) USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= -0.147 (180deg=-0.402) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 61 THR OG1 : rot 19:sc= 1.19 USER MOD Single : A 63 GLN : amide:sc= -9.34! C(o=-9.3!,f=-15!) USER MOD Single : A 64 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.0092) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 166:sc= -0.678 (180deg=-1.21) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -3.29! C(o=-4.1!,f=-3.3!) USER MOD Single : A 81 THR OG1 : rot -107:sc= -0.2 USER MOD Single : A 97 LYS NZ :NH3+ -170:sc= 0.149 (180deg=0.112) USER MOD Single : A 100 GLN :FLIP amide:sc= -3.66! C(o=-4.9!,f=-3.7!) USER MOD Single : A 111 ASN : amide:sc= -0.242 K(o=-0.24,f=-3!) USER MOD Single : A 119 ASN : amide:sc= -6.62! C(o=-6.6!,f=-8!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 14.446 11.477 4.291 1.00 0.00 N ATOM 43 CA LYS A 3 13.560 10.904 3.244 1.00 0.00 C ATOM 44 C LYS A 3 13.212 9.457 3.596 1.00 0.00 C ATOM 45 O LYS A 3 13.910 8.801 4.343 1.00 0.00 O ATOM 46 CB LYS A 3 14.277 10.943 1.897 1.00 0.00 C ATOM 47 CG LYS A 3 13.504 10.095 0.889 1.00 0.00 C ATOM 48 CD LYS A 3 14.105 10.291 -0.497 1.00 0.00 C ATOM 49 CE LYS A 3 14.927 9.057 -0.874 1.00 0.00 C ATOM 50 NZ LYS A 3 16.230 9.487 -1.457 1.00 0.00 N ATOM 0 HA LYS A 3 12.643 11.490 3.187 1.00 0.00 H new ATOM 0 HB2 LYS A 3 14.353 11.971 1.542 1.00 0.00 H new ATOM 0 HB3 LYS A 3 15.294 10.566 2.002 1.00 0.00 H new ATOM 0 HG2 LYS A 3 13.547 9.043 1.172 1.00 0.00 H new ATOM 0 HG3 LYS A 3 12.452 10.381 0.886 1.00 0.00 H new ATOM 0 HD2 LYS A 3 13.314 10.452 -1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 3 14.736 11.180 -0.509 1.00 0.00 H new ATOM 0 HE2 LYS A 3 15.097 8.437 0.006 1.00 0.00 H new ATOM 0 HE3 LYS A 3 14.379 8.447 -1.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 16.789 8.648 -1.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 16.057 10.061 -2.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 16.754 10.052 -0.758 1.00 0.00 H new ATOM 64 N LEU A 4 12.146 8.944 3.044 1.00 0.00 N ATOM 65 CA LEU A 4 11.767 7.533 3.327 1.00 0.00 C ATOM 66 C LEU A 4 10.822 7.039 2.234 1.00 0.00 C ATOM 67 O LEU A 4 10.191 7.816 1.549 1.00 0.00 O ATOM 68 CB LEU A 4 11.095 7.434 4.710 1.00 0.00 C ATOM 69 CG LEU A 4 9.563 7.477 4.605 1.00 0.00 C ATOM 70 CD1 LEU A 4 9.003 6.068 4.813 1.00 0.00 C ATOM 71 CD2 LEU A 4 9.025 8.428 5.663 1.00 0.00 C ATOM 0 H LEU A 4 11.522 9.442 2.409 1.00 0.00 H new ATOM 0 HA LEU A 4 12.660 6.908 3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.400 6.508 5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.439 8.254 5.341 1.00 0.00 H new ATOM 0 HG LEU A 4 9.259 7.831 3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.916 6.094 4.739 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.403 5.401 4.049 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.291 5.704 5.799 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.938 8.467 5.598 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.317 8.075 6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.434 9.425 5.498 1.00 0.00 H new ATOM 83 N GLN A 5 10.700 5.757 2.081 1.00 0.00 N ATOM 84 CA GLN A 5 9.775 5.228 1.051 1.00 0.00 C ATOM 85 C GLN A 5 8.901 4.162 1.685 1.00 0.00 C ATOM 86 O GLN A 5 9.093 3.786 2.823 1.00 0.00 O ATOM 87 CB GLN A 5 10.575 4.636 -0.101 1.00 0.00 C ATOM 88 CG GLN A 5 11.503 5.722 -0.640 1.00 0.00 C ATOM 89 CD GLN A 5 12.935 5.447 -0.180 1.00 0.00 C ATOM 90 OE1 GLN A 5 13.158 4.653 0.712 1.00 0.00 O ATOM 91 NE2 GLN A 5 13.925 6.073 -0.757 1.00 0.00 N ATOM 0 H GLN A 5 11.200 5.053 2.624 1.00 0.00 H new ATOM 0 HA GLN A 5 9.148 6.030 0.662 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.152 3.776 0.239 1.00 0.00 H new ATOM 0 HB3 GLN A 5 9.907 4.282 -0.886 1.00 0.00 H new ATOM 0 HG2 GLN A 5 11.458 5.745 -1.729 1.00 0.00 H new ATOM 0 HG3 GLN A 5 11.178 6.701 -0.286 1.00 0.00 H new ATOM 0 HE21 GLN A 5 13.739 6.740 -1.506 1.00 0.00 H new ATOM 0 HE22 GLN A 5 14.884 5.895 -0.459 1.00 0.00 H new ATOM 100 N ILE A 6 7.936 3.676 0.974 1.00 0.00 N ATOM 101 CA ILE A 6 7.054 2.646 1.560 1.00 0.00 C ATOM 102 C ILE A 6 6.731 1.606 0.499 1.00 0.00 C ATOM 103 O ILE A 6 6.119 1.897 -0.509 1.00 0.00 O ATOM 104 CB ILE A 6 5.782 3.325 2.076 1.00 0.00 C ATOM 105 CG1 ILE A 6 6.069 3.869 3.486 1.00 0.00 C ATOM 106 CG2 ILE A 6 4.616 2.330 2.101 1.00 0.00 C ATOM 107 CD1 ILE A 6 5.048 3.344 4.514 1.00 0.00 C ATOM 0 H ILE A 6 7.719 3.946 0.015 1.00 0.00 H new ATOM 0 HA ILE A 6 7.545 2.144 2.394 1.00 0.00 H new ATOM 0 HB ILE A 6 5.498 4.144 1.415 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.075 3.580 3.791 1.00 0.00 H new ATOM 0 HG13 ILE A 6 6.042 4.959 3.469 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.720 2.829 2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.434 1.957 1.093 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.864 1.496 2.758 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.282 3.749 5.499 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.045 3.656 4.222 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.094 2.256 4.549 1.00 0.00 H new ATOM 119 N ALA A 7 7.147 0.395 0.723 1.00 0.00 N ATOM 120 CA ALA A 7 6.877 -0.682 -0.257 1.00 0.00 C ATOM 121 C ALA A 7 5.466 -1.208 -0.025 1.00 0.00 C ATOM 122 O ALA A 7 5.274 -2.328 0.403 1.00 0.00 O ATOM 123 CB ALA A 7 7.881 -1.812 -0.052 1.00 0.00 C ATOM 0 H ALA A 7 7.667 0.105 1.551 1.00 0.00 H new ATOM 0 HA ALA A 7 6.969 -0.298 -1.273 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.686 -2.607 -0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 7 8.892 -1.431 -0.197 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.784 -2.206 0.960 1.00 0.00 H new ATOM 129 N VAL A 8 4.477 -0.405 -0.293 1.00 0.00 N ATOM 130 CA VAL A 8 3.083 -0.871 -0.070 1.00 0.00 C ATOM 131 C VAL A 8 2.660 -1.764 -1.229 1.00 0.00 C ATOM 132 O VAL A 8 2.591 -2.966 -1.099 1.00 0.00 O ATOM 133 CB VAL A 8 2.116 0.327 0.054 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.549 1.465 -0.874 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.685 -0.112 -0.311 1.00 0.00 C ATOM 0 H VAL A 8 4.572 0.545 -0.653 1.00 0.00 H new ATOM 0 HA VAL A 8 3.045 -1.435 0.862 1.00 0.00 H new ATOM 0 HB VAL A 8 2.138 0.681 1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.856 2.300 -0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.553 1.792 -0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.546 1.114 -1.906 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.009 0.739 -0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.668 -0.482 -1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.364 -0.904 0.366 1.00 0.00 H new ATOM 145 N GLY A 9 2.349 -1.202 -2.354 1.00 0.00 N ATOM 146 CA GLY A 9 1.905 -2.058 -3.468 1.00 0.00 C ATOM 147 C GLY A 9 0.593 -2.686 -3.053 1.00 0.00 C ATOM 148 O GLY A 9 0.529 -3.826 -2.637 1.00 0.00 O ATOM 0 H GLY A 9 2.383 -0.201 -2.547 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.780 -1.471 -4.378 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.648 -2.826 -3.683 1.00 0.00 H new ATOM 152 N ILE A 10 -0.454 -1.928 -3.146 1.00 0.00 N ATOM 153 CA ILE A 10 -1.783 -2.454 -2.737 1.00 0.00 C ATOM 154 C ILE A 10 -1.947 -3.828 -3.362 1.00 0.00 C ATOM 155 O ILE A 10 -1.154 -4.239 -4.184 1.00 0.00 O ATOM 156 CB ILE A 10 -2.922 -1.520 -3.176 1.00 0.00 C ATOM 157 CG1 ILE A 10 -2.370 -0.126 -3.497 1.00 0.00 C ATOM 158 CG2 ILE A 10 -3.938 -1.403 -2.033 1.00 0.00 C ATOM 159 CD1 ILE A 10 -3.525 0.831 -3.796 1.00 0.00 C ATOM 0 H ILE A 10 -0.451 -0.967 -3.487 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.833 -2.517 -1.650 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.398 -1.930 -4.067 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.785 0.246 -2.656 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.698 -0.179 -4.354 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.751 -0.742 -2.335 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.340 -2.389 -1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.447 -0.994 -1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.128 1.820 -4.024 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.091 0.462 -4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.180 0.894 -2.927 1.00 0.00 H new ATOM 171 N ILE A 11 -2.933 -4.565 -2.965 1.00 0.00 N ATOM 172 CA ILE A 11 -3.080 -5.925 -3.530 1.00 0.00 C ATOM 173 C ILE A 11 -4.559 -6.232 -3.784 1.00 0.00 C ATOM 174 O ILE A 11 -5.261 -6.705 -2.916 1.00 0.00 O ATOM 175 CB ILE A 11 -2.475 -6.905 -2.519 1.00 0.00 C ATOM 176 CG1 ILE A 11 -2.946 -6.525 -1.116 1.00 0.00 C ATOM 177 CG2 ILE A 11 -0.946 -6.794 -2.567 1.00 0.00 C ATOM 178 CD1 ILE A 11 -2.231 -7.395 -0.079 1.00 0.00 C ATOM 0 H ILE A 11 -3.638 -4.291 -2.281 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.565 -6.011 -4.487 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.786 -7.922 -2.759 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.740 -5.472 -0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -4.025 -6.658 -1.035 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.508 -7.489 -1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.595 -7.038 -3.570 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.647 -5.776 -2.315 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.569 -7.122 0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.459 -8.444 -0.265 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.155 -7.239 -0.153 1.00 0.00 H new ATOM 190 N ARG A 12 -5.020 -5.985 -4.987 1.00 0.00 N ATOM 191 CA ARG A 12 -6.450 -6.275 -5.328 1.00 0.00 C ATOM 192 C ARG A 12 -6.484 -7.655 -5.979 1.00 0.00 C ATOM 193 O ARG A 12 -5.498 -8.083 -6.544 1.00 0.00 O ATOM 194 CB ARG A 12 -7.039 -5.211 -6.290 1.00 0.00 C ATOM 195 CG ARG A 12 -5.977 -4.183 -6.702 1.00 0.00 C ATOM 196 CD ARG A 12 -6.595 -2.787 -6.865 1.00 0.00 C ATOM 197 NE ARG A 12 -5.689 -1.800 -6.220 1.00 0.00 N ATOM 198 CZ ARG A 12 -5.752 -0.546 -6.549 1.00 0.00 C ATOM 199 NH1 ARG A 12 -6.864 -0.054 -7.019 1.00 0.00 N ATOM 200 NH2 ARG A 12 -4.693 0.208 -6.410 1.00 0.00 N ATOM 0 H ARG A 12 -4.467 -5.594 -5.749 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.059 -6.248 -4.424 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.437 -5.701 -7.178 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.873 -4.702 -5.806 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.188 -4.150 -5.951 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.513 -4.490 -7.639 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.726 -2.550 -7.921 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.583 -2.753 -6.406 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.017 -2.109 -5.518 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.682 -0.654 -7.127 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.916 0.931 -7.278 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.828 -0.190 -6.046 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.732 1.195 -6.666 1.00 0.00 H new ATOM 214 N ASN A 13 -7.562 -8.397 -5.889 1.00 0.00 N ATOM 215 CA ASN A 13 -7.494 -9.754 -6.505 1.00 0.00 C ATOM 216 C ASN A 13 -8.855 -10.419 -6.795 1.00 0.00 C ATOM 217 O ASN A 13 -8.889 -11.405 -7.456 1.00 0.00 O ATOM 218 CB ASN A 13 -6.694 -10.657 -5.567 1.00 0.00 C ATOM 219 CG ASN A 13 -7.571 -11.078 -4.386 1.00 0.00 C ATOM 220 OD1 ASN A 13 -8.178 -10.164 -3.680 1.00 0.00 O flip ATOM 221 ND2 ASN A 13 -7.705 -12.253 -4.101 1.00 0.00 N flip ATOM 0 H ASN A 13 -8.441 -8.139 -5.440 1.00 0.00 H new ATOM 0 HA ASN A 13 -7.024 -9.623 -7.480 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.344 -11.538 -6.105 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.810 -10.131 -5.207 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.231 -12.969 -4.652 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -8.291 -12.523 -3.311 1.00 0.00 H new ATOM 228 N GLU A 14 -9.975 -9.943 -6.354 1.00 0.00 N ATOM 229 CA GLU A 14 -11.231 -10.705 -6.703 1.00 0.00 C ATOM 230 C GLU A 14 -11.835 -10.090 -7.961 1.00 0.00 C ATOM 231 O GLU A 14 -12.430 -10.744 -8.794 1.00 0.00 O ATOM 232 CB GLU A 14 -12.231 -10.616 -5.548 1.00 0.00 C ATOM 233 CG GLU A 14 -12.631 -12.028 -5.115 1.00 0.00 C ATOM 234 CD GLU A 14 -13.137 -12.000 -3.672 1.00 0.00 C ATOM 235 OE1 GLU A 14 -12.881 -11.019 -2.993 1.00 0.00 O ATOM 236 OE2 GLU A 14 -13.772 -12.961 -3.269 1.00 0.00 O ATOM 0 H GLU A 14 -10.094 -9.100 -5.792 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.994 -11.755 -6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.789 -10.078 -4.710 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.113 -10.055 -5.858 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.407 -12.415 -5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.777 -12.700 -5.198 1.00 0.00 H new ATOM 243 N ASN A 15 -11.625 -8.837 -8.086 1.00 0.00 N ATOM 244 CA ASN A 15 -12.079 -8.042 -9.253 1.00 0.00 C ATOM 245 C ASN A 15 -11.236 -6.797 -9.137 1.00 0.00 C ATOM 246 O ASN A 15 -10.553 -6.355 -10.038 1.00 0.00 O ATOM 247 CB ASN A 15 -13.568 -7.705 -9.115 1.00 0.00 C ATOM 248 CG ASN A 15 -13.920 -6.532 -10.032 1.00 0.00 C ATOM 249 OD1 ASN A 15 -13.236 -6.347 -11.127 1.00 0.00 O flip ATOM 250 ND2 ASN A 15 -14.828 -5.776 -9.748 1.00 0.00 N flip ATOM 0 H ASN A 15 -11.126 -8.286 -7.388 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.972 -8.553 -10.210 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -14.173 -8.574 -9.373 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.799 -7.452 -8.080 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -15.363 -5.921 -8.892 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -15.055 -4.997 -10.366 1.00 0.00 H new ATOM 257 N ASN A 16 -11.258 -6.305 -7.943 1.00 0.00 N ATOM 258 CA ASN A 16 -10.465 -5.152 -7.524 1.00 0.00 C ATOM 259 C ASN A 16 -10.463 -5.236 -5.999 1.00 0.00 C ATOM 260 O ASN A 16 -10.593 -4.240 -5.316 1.00 0.00 O ATOM 261 CB ASN A 16 -11.133 -3.856 -7.990 1.00 0.00 C ATOM 262 CG ASN A 16 -10.061 -2.809 -8.302 1.00 0.00 C ATOM 263 OD1 ASN A 16 -9.047 -3.120 -8.896 1.00 0.00 O ATOM 264 ND2 ASN A 16 -10.243 -1.573 -7.924 1.00 0.00 N ATOM 0 H ASN A 16 -11.837 -6.690 -7.197 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.459 -5.154 -7.943 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.739 -4.046 -8.876 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.806 -3.483 -7.217 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.534 -0.868 -8.127 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -11.094 -1.312 -7.426 1.00 0.00 H new ATOM 271 N GLU A 17 -10.374 -6.443 -5.446 1.00 0.00 N ATOM 272 CA GLU A 17 -10.438 -6.550 -3.954 1.00 0.00 C ATOM 273 C GLU A 17 -9.064 -6.338 -3.341 1.00 0.00 C ATOM 274 O GLU A 17 -8.278 -7.254 -3.198 1.00 0.00 O ATOM 275 CB GLU A 17 -11.006 -7.909 -3.544 1.00 0.00 C ATOM 276 CG GLU A 17 -12.532 -7.903 -3.719 1.00 0.00 C ATOM 277 CD GLU A 17 -12.916 -7.175 -5.011 1.00 0.00 C ATOM 278 OE1 GLU A 17 -12.729 -5.971 -5.064 1.00 0.00 O ATOM 279 OE2 GLU A 17 -13.391 -7.833 -5.920 1.00 0.00 O ATOM 0 H GLU A 17 -10.264 -7.322 -5.952 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.101 -5.770 -3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.563 -8.698 -4.152 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.750 -8.124 -2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.906 -8.927 -3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.001 -7.414 -2.865 1.00 0.00 H new ATOM 286 N ILE A 18 -8.781 -5.118 -2.978 1.00 0.00 N ATOM 287 CA ILE A 18 -7.458 -4.786 -2.379 1.00 0.00 C ATOM 288 C ILE A 18 -7.408 -5.182 -0.905 1.00 0.00 C ATOM 289 O ILE A 18 -8.383 -5.093 -0.189 1.00 0.00 O ATOM 290 CB ILE A 18 -7.196 -3.275 -2.487 1.00 0.00 C ATOM 291 CG1 ILE A 18 -8.511 -2.500 -2.357 1.00 0.00 C ATOM 292 CG2 ILE A 18 -6.552 -2.958 -3.837 1.00 0.00 C ATOM 293 CD1 ILE A 18 -8.213 -1.020 -2.114 1.00 0.00 C ATOM 0 H ILE A 18 -9.418 -4.327 -3.072 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.697 -5.342 -2.927 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.524 -2.977 -1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -9.105 -2.618 -3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.102 -2.902 -1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.368 -1.886 -3.910 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.608 -3.495 -3.925 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.221 -3.267 -4.641 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.150 -0.471 -2.022 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.637 -0.911 -1.195 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.640 -0.622 -2.951 1.00 0.00 H new ATOM 305 N PHE A 19 -6.254 -5.581 -0.442 1.00 0.00 N ATOM 306 CA PHE A 19 -6.090 -5.938 0.999 1.00 0.00 C ATOM 307 C PHE A 19 -5.862 -4.637 1.779 1.00 0.00 C ATOM 308 O PHE A 19 -4.991 -4.544 2.621 1.00 0.00 O ATOM 309 CB PHE A 19 -4.874 -6.860 1.152 1.00 0.00 C ATOM 310 CG PHE A 19 -4.946 -7.602 2.467 1.00 0.00 C ATOM 311 CD1 PHE A 19 -6.127 -8.253 2.843 1.00 0.00 C ATOM 312 CD2 PHE A 19 -3.826 -7.645 3.306 1.00 0.00 C ATOM 313 CE1 PHE A 19 -6.187 -8.946 4.058 1.00 0.00 C ATOM 314 CE2 PHE A 19 -3.887 -8.339 4.520 1.00 0.00 C ATOM 315 CZ PHE A 19 -5.066 -8.988 4.897 1.00 0.00 C ATOM 0 H PHE A 19 -5.409 -5.676 -1.005 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.973 -6.454 1.377 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.841 -7.571 0.326 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.956 -6.274 1.106 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.991 -8.221 2.196 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.915 -7.143 3.016 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.098 -9.448 4.349 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.022 -8.373 5.166 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.113 -9.522 5.835 1.00 0.00 H new ATOM 325 N ILE A 20 -6.625 -3.624 1.471 1.00 0.00 N ATOM 326 CA ILE A 20 -6.468 -2.310 2.132 1.00 0.00 C ATOM 327 C ILE A 20 -7.152 -2.311 3.482 1.00 0.00 C ATOM 328 O ILE A 20 -8.139 -2.982 3.704 1.00 0.00 O ATOM 329 CB ILE A 20 -7.123 -1.250 1.250 1.00 0.00 C ATOM 330 CG1 ILE A 20 -6.981 0.136 1.871 1.00 0.00 C ATOM 331 CG2 ILE A 20 -8.606 -1.570 1.099 1.00 0.00 C ATOM 332 CD1 ILE A 20 -6.057 0.974 0.996 1.00 0.00 C ATOM 0 H ILE A 20 -7.366 -3.660 0.771 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.408 -2.101 2.274 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.629 -1.255 0.278 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.957 0.614 1.955 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.577 0.058 2.880 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -9.079 -0.816 0.470 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.721 -2.551 0.638 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.080 -1.572 2.081 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.948 1.968 1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.080 0.495 0.935 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.482 1.060 -0.004 1.00 0.00 H new ATOM 344 N THR A 21 -6.647 -1.528 4.367 1.00 0.00 N ATOM 345 CA THR A 21 -7.272 -1.425 5.708 1.00 0.00 C ATOM 346 C THR A 21 -8.643 -0.782 5.522 1.00 0.00 C ATOM 347 O THR A 21 -8.781 0.426 5.521 1.00 0.00 O ATOM 348 CB THR A 21 -6.400 -0.551 6.604 1.00 0.00 C ATOM 349 OG1 THR A 21 -7.030 -0.378 7.870 1.00 0.00 O ATOM 350 CG2 THR A 21 -6.191 0.807 5.939 1.00 0.00 C ATOM 0 H THR A 21 -5.821 -0.946 4.227 1.00 0.00 H new ATOM 0 HA THR A 21 -7.372 -2.406 6.173 1.00 0.00 H new ATOM 0 HB THR A 21 -5.434 -1.034 6.752 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.466 0.183 8.442 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.568 1.433 6.578 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.699 0.669 4.976 1.00 0.00 H new ATOM 0 HG23 THR A 21 -7.156 1.290 5.788 1.00 0.00 H new ATOM 358 N ARG A 22 -9.657 -1.579 5.336 1.00 0.00 N ATOM 359 CA ARG A 22 -11.013 -1.017 5.118 1.00 0.00 C ATOM 360 C ARG A 22 -11.738 -0.963 6.451 1.00 0.00 C ATOM 361 O ARG A 22 -11.615 -1.866 7.249 1.00 0.00 O ATOM 362 CB ARG A 22 -11.778 -1.922 4.150 1.00 0.00 C ATOM 363 CG ARG A 22 -13.217 -1.423 4.008 1.00 0.00 C ATOM 364 CD ARG A 22 -13.232 -0.176 3.124 1.00 0.00 C ATOM 365 NE ARG A 22 -14.525 0.541 3.295 1.00 0.00 N ATOM 366 CZ ARG A 22 -14.649 1.765 2.866 1.00 0.00 C ATOM 367 NH1 ARG A 22 -13.765 2.665 3.196 1.00 0.00 N ATOM 368 NH2 ARG A 22 -15.654 2.087 2.099 1.00 0.00 N ATOM 0 H ARG A 22 -9.602 -2.597 5.326 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.945 -0.014 4.697 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.287 -1.928 3.177 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.773 -2.949 4.516 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.843 -2.201 3.571 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.633 -1.193 4.989 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.403 0.480 3.389 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.095 -0.456 2.080 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.312 0.075 3.747 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -12.976 2.411 3.790 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -13.863 3.623 2.860 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.341 1.381 1.836 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -15.752 3.045 1.762 1.00 0.00 H new ATOM 382 N ARG A 23 -12.485 0.090 6.692 1.00 0.00 N ATOM 383 CA ARG A 23 -13.234 0.220 7.988 1.00 0.00 C ATOM 384 C ARG A 23 -13.645 -1.167 8.477 1.00 0.00 C ATOM 385 O ARG A 23 -14.685 -1.682 8.114 1.00 0.00 O ATOM 386 CB ARG A 23 -14.495 1.073 7.787 1.00 0.00 C ATOM 387 CG ARG A 23 -14.871 1.122 6.302 1.00 0.00 C ATOM 388 CD ARG A 23 -16.379 1.338 6.163 1.00 0.00 C ATOM 389 NE ARG A 23 -17.052 0.031 5.919 1.00 0.00 N ATOM 390 CZ ARG A 23 -18.347 -0.073 6.060 1.00 0.00 C ATOM 391 NH1 ARG A 23 -19.112 0.964 5.854 1.00 0.00 N ATOM 392 NH2 ARG A 23 -18.873 -1.214 6.416 1.00 0.00 N ATOM 0 H ARG A 23 -12.609 0.869 6.045 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.588 0.700 8.723 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -15.320 0.657 8.365 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.323 2.083 8.159 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.330 1.928 5.806 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.579 0.193 5.811 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.775 1.799 7.068 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -16.584 2.023 5.340 1.00 0.00 H new ATOM 0 HE ARG A 23 -16.502 -0.782 5.642 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -18.699 1.856 5.583 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -20.123 0.882 5.964 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -18.273 -2.022 6.583 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -19.884 -1.297 6.527 1.00 0.00 H new ATOM 406 N ALA A 24 -12.817 -1.789 9.274 1.00 0.00 N ATOM 407 CA ALA A 24 -13.140 -3.155 9.759 1.00 0.00 C ATOM 408 C ALA A 24 -14.616 -3.211 10.154 1.00 0.00 C ATOM 409 O ALA A 24 -15.368 -4.036 9.674 1.00 0.00 O ATOM 410 CB ALA A 24 -12.268 -3.492 10.970 1.00 0.00 C ATOM 0 H ALA A 24 -11.932 -1.407 9.608 1.00 0.00 H new ATOM 0 HA ALA A 24 -12.946 -3.880 8.968 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.508 -4.495 11.323 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.217 -3.449 10.685 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.457 -2.772 11.766 1.00 0.00 H new ATOM 416 N ALA A 25 -15.037 -2.325 11.015 1.00 0.00 N ATOM 417 CA ALA A 25 -16.462 -2.304 11.432 1.00 0.00 C ATOM 418 C ALA A 25 -17.270 -1.580 10.354 1.00 0.00 C ATOM 419 O ALA A 25 -16.810 -1.405 9.242 1.00 0.00 O ATOM 420 CB ALA A 25 -16.587 -1.567 12.768 1.00 0.00 C ATOM 0 H ALA A 25 -14.450 -1.612 11.448 1.00 0.00 H new ATOM 0 HA ALA A 25 -16.839 -3.319 11.554 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -17.632 -1.549 13.077 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -15.993 -2.081 13.524 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -16.225 -0.545 12.655 1.00 0.00 H new ATOM 426 N ASP A 26 -18.462 -1.155 10.659 1.00 0.00 N ATOM 427 CA ASP A 26 -19.273 -0.447 9.632 1.00 0.00 C ATOM 428 C ASP A 26 -18.666 0.932 9.351 1.00 0.00 C ATOM 429 O ASP A 26 -18.458 1.304 8.216 1.00 0.00 O ATOM 430 CB ASP A 26 -20.709 -0.284 10.135 1.00 0.00 C ATOM 431 CG ASP A 26 -21.470 -1.597 9.941 1.00 0.00 C ATOM 432 OD1 ASP A 26 -21.035 -2.398 9.132 1.00 0.00 O ATOM 433 OD2 ASP A 26 -22.478 -1.777 10.605 1.00 0.00 O ATOM 0 H ASP A 26 -18.908 -1.266 11.569 1.00 0.00 H new ATOM 0 HA ASP A 26 -19.276 -1.031 8.712 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -20.707 -0.005 11.189 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -21.206 0.520 9.593 1.00 0.00 H new ATOM 438 N ALA A 27 -18.391 1.694 10.378 1.00 0.00 N ATOM 439 CA ALA A 27 -17.800 3.055 10.181 1.00 0.00 C ATOM 440 C ALA A 27 -18.902 4.068 9.848 1.00 0.00 C ATOM 441 O ALA A 27 -18.738 5.254 10.052 1.00 0.00 O ATOM 442 CB ALA A 27 -16.784 3.038 9.027 1.00 0.00 C ATOM 0 H ALA A 27 -18.551 1.432 11.351 1.00 0.00 H new ATOM 0 HA ALA A 27 -17.299 3.342 11.106 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -16.364 4.035 8.897 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.984 2.334 9.257 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -17.283 2.732 8.107 1.00 0.00 H new ATOM 448 N HIS A 28 -20.014 3.627 9.317 1.00 0.00 N ATOM 449 CA HIS A 28 -21.086 4.594 8.959 1.00 0.00 C ATOM 450 C HIS A 28 -20.446 5.745 8.186 1.00 0.00 C ATOM 451 O HIS A 28 -20.942 6.852 8.163 1.00 0.00 O ATOM 452 CB HIS A 28 -21.755 5.126 10.227 1.00 0.00 C ATOM 453 CG HIS A 28 -23.196 4.701 10.240 1.00 0.00 C ATOM 454 ND1 HIS A 28 -23.701 3.822 11.186 1.00 0.00 N ATOM 455 CD2 HIS A 28 -24.253 5.020 9.424 1.00 0.00 C ATOM 456 CE1 HIS A 28 -25.008 3.644 10.917 1.00 0.00 C ATOM 457 NE2 HIS A 28 -25.396 4.351 9.853 1.00 0.00 N ATOM 0 H HIS A 28 -20.222 2.648 9.119 1.00 0.00 H new ATOM 0 HA HIS A 28 -21.846 4.105 8.349 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -21.243 4.745 11.110 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -21.684 6.213 10.262 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -24.205 5.689 8.577 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -25.663 3.007 11.492 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -26.329 4.392 9.443 1.00 0.00 H new ATOM 465 N MET A 29 -19.336 5.472 7.555 1.00 0.00 N ATOM 466 CA MET A 29 -18.623 6.518 6.777 1.00 0.00 C ATOM 467 C MET A 29 -17.788 5.836 5.695 1.00 0.00 C ATOM 468 O MET A 29 -17.929 4.656 5.440 1.00 0.00 O ATOM 469 CB MET A 29 -17.685 7.291 7.711 1.00 0.00 C ATOM 470 CG MET A 29 -18.493 8.257 8.582 1.00 0.00 C ATOM 471 SD MET A 29 -19.169 9.585 7.555 1.00 0.00 S ATOM 472 CE MET A 29 -20.014 10.487 8.876 1.00 0.00 C ATOM 0 H MET A 29 -18.889 4.555 7.547 1.00 0.00 H new ATOM 0 HA MET A 29 -19.342 7.203 6.327 1.00 0.00 H new ATOM 0 HB2 MET A 29 -17.132 6.595 8.342 1.00 0.00 H new ATOM 0 HB3 MET A 29 -16.950 7.844 7.126 1.00 0.00 H new ATOM 0 HG2 MET A 29 -19.302 7.723 9.081 1.00 0.00 H new ATOM 0 HG3 MET A 29 -17.858 8.675 9.363 1.00 0.00 H new ATOM 0 HE1 MET A 29 -20.510 11.363 8.459 1.00 0.00 H new ATOM 0 HE2 MET A 29 -20.755 9.839 9.343 1.00 0.00 H new ATOM 0 HE3 MET A 29 -19.287 10.803 9.624 1.00 0.00 H new ATOM 482 N ALA A 30 -16.906 6.560 5.071 1.00 0.00 N ATOM 483 CA ALA A 30 -16.050 5.948 4.023 1.00 0.00 C ATOM 484 C ALA A 30 -14.740 6.725 3.938 1.00 0.00 C ATOM 485 O ALA A 30 -14.384 7.455 4.842 1.00 0.00 O ATOM 486 CB ALA A 30 -16.765 5.995 2.673 1.00 0.00 C ATOM 0 H ALA A 30 -16.741 7.552 5.242 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.847 4.908 4.278 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -16.131 5.544 1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -17.702 5.443 2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -16.972 7.032 2.407 1.00 0.00 H new ATOM 492 N ASN A 31 -14.018 6.570 2.866 1.00 0.00 N ATOM 493 CA ASN A 31 -12.726 7.295 2.729 1.00 0.00 C ATOM 494 C ASN A 31 -11.660 6.596 3.578 1.00 0.00 C ATOM 495 O ASN A 31 -10.511 6.990 3.586 1.00 0.00 O ATOM 496 CB ASN A 31 -12.890 8.741 3.203 1.00 0.00 C ATOM 497 CG ASN A 31 -12.421 9.694 2.103 1.00 0.00 C ATOM 498 OD1 ASN A 31 -13.037 9.783 1.059 1.00 0.00 O ATOM 499 ND2 ASN A 31 -11.348 10.414 2.290 1.00 0.00 N ATOM 0 H ASN A 31 -14.267 5.972 2.078 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.420 7.294 1.683 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -13.933 8.938 3.449 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.311 8.905 4.112 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.027 11.051 1.560 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.830 10.340 3.166 1.00 0.00 H new ATOM 506 N LYS A 32 -12.035 5.566 4.296 1.00 0.00 N ATOM 507 CA LYS A 32 -11.046 4.841 5.144 1.00 0.00 C ATOM 508 C LYS A 32 -10.255 3.839 4.292 1.00 0.00 C ATOM 509 O LYS A 32 -10.204 2.665 4.593 1.00 0.00 O ATOM 510 CB LYS A 32 -11.793 4.090 6.244 1.00 0.00 C ATOM 511 CG LYS A 32 -10.840 3.794 7.404 1.00 0.00 C ATOM 512 CD LYS A 32 -10.557 2.292 7.470 1.00 0.00 C ATOM 513 CE LYS A 32 -9.537 2.014 8.574 1.00 0.00 C ATOM 514 NZ LYS A 32 -9.818 2.897 9.741 1.00 0.00 N ATOM 0 H LYS A 32 -12.986 5.197 4.330 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.352 5.558 5.583 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.636 4.685 6.596 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -12.202 3.160 5.850 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.908 4.344 7.271 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.278 4.133 8.343 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.479 1.746 7.666 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.176 1.940 6.511 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.587 0.968 8.875 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.527 2.192 8.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.331 2.526 10.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.477 3.858 9.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.843 2.924 9.918 1.00 0.00 H new ATOM 528 N LEU A 33 -9.632 4.285 3.240 1.00 0.00 N ATOM 529 CA LEU A 33 -8.846 3.347 2.384 1.00 0.00 C ATOM 530 C LEU A 33 -7.408 3.868 2.283 1.00 0.00 C ATOM 531 O LEU A 33 -7.067 4.594 1.372 1.00 0.00 O ATOM 532 CB LEU A 33 -9.471 3.288 0.983 1.00 0.00 C ATOM 533 CG LEU A 33 -10.804 2.528 1.009 1.00 0.00 C ATOM 534 CD1 LEU A 33 -11.093 1.987 -0.389 1.00 0.00 C ATOM 535 CD2 LEU A 33 -10.740 1.346 1.981 1.00 0.00 C ATOM 0 H LEU A 33 -9.631 5.258 2.933 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.851 2.348 2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.632 4.299 0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.783 2.799 0.294 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.587 3.213 1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.039 1.445 -0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.156 2.816 -1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.291 1.313 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.696 0.823 1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.952 0.661 1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.526 1.712 2.985 1.00 0.00 H new ATOM 547 N GLU A 34 -6.566 3.518 3.217 1.00 0.00 N ATOM 548 CA GLU A 34 -5.161 4.023 3.183 1.00 0.00 C ATOM 549 C GLU A 34 -4.308 3.165 2.234 1.00 0.00 C ATOM 550 O GLU A 34 -4.625 3.027 1.072 1.00 0.00 O ATOM 551 CB GLU A 34 -4.597 3.992 4.606 1.00 0.00 C ATOM 552 CG GLU A 34 -3.413 4.957 4.710 1.00 0.00 C ATOM 553 CD GLU A 34 -2.391 4.404 5.704 1.00 0.00 C ATOM 554 OE1 GLU A 34 -2.806 3.763 6.655 1.00 0.00 O ATOM 555 OE2 GLU A 34 -1.210 4.630 5.497 1.00 0.00 O ATOM 0 H GLU A 34 -6.788 2.905 4.002 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.141 5.047 2.809 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.371 4.271 5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.279 2.981 4.860 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.950 5.089 3.732 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.758 5.939 5.035 1.00 0.00 H new ATOM 562 N PHE A 35 -3.221 2.600 2.702 1.00 0.00 N ATOM 563 CA PHE A 35 -2.377 1.766 1.799 1.00 0.00 C ATOM 564 C PHE A 35 -1.468 0.864 2.645 1.00 0.00 C ATOM 565 O PHE A 35 -0.714 1.349 3.464 1.00 0.00 O ATOM 566 CB PHE A 35 -1.505 2.654 0.896 1.00 0.00 C ATOM 567 CG PHE A 35 -1.906 4.104 1.030 1.00 0.00 C ATOM 568 CD1 PHE A 35 -1.320 4.902 2.020 1.00 0.00 C ATOM 569 CD2 PHE A 35 -2.861 4.650 0.166 1.00 0.00 C ATOM 570 CE1 PHE A 35 -1.690 6.246 2.145 1.00 0.00 C ATOM 571 CE2 PHE A 35 -3.231 5.994 0.290 1.00 0.00 C ATOM 572 CZ PHE A 35 -2.645 6.793 1.281 1.00 0.00 C ATOM 0 H PHE A 35 -2.886 2.681 3.662 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.031 1.161 1.171 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.455 2.535 1.164 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.607 2.337 -0.142 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.583 4.481 2.687 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.313 4.034 -0.597 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.238 6.861 2.909 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.968 6.415 -0.378 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.930 7.830 1.378 1.00 0.00 H new ATOM 582 N PRO A 36 -1.560 -0.425 2.416 1.00 0.00 N ATOM 583 CA PRO A 36 -0.738 -1.407 3.148 1.00 0.00 C ATOM 584 C PRO A 36 0.741 -1.203 2.803 1.00 0.00 C ATOM 585 O PRO A 36 1.205 -1.633 1.769 1.00 0.00 O ATOM 586 CB PRO A 36 -1.236 -2.768 2.646 1.00 0.00 C ATOM 587 CG PRO A 36 -2.183 -2.511 1.447 1.00 0.00 C ATOM 588 CD PRO A 36 -2.480 -1.006 1.419 1.00 0.00 C ATOM 0 HA PRO A 36 -0.824 -1.316 4.231 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -0.397 -3.394 2.343 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.760 -3.300 3.440 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.718 -2.829 0.514 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.104 -3.083 1.555 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.307 -0.586 0.428 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.520 -0.803 1.674 1.00 0.00 H new ATOM 596 N GLY A 37 1.479 -0.526 3.646 1.00 0.00 N ATOM 597 CA GLY A 37 2.917 -0.270 3.340 1.00 0.00 C ATOM 598 C GLY A 37 3.828 -1.316 3.989 1.00 0.00 C ATOM 599 O GLY A 37 3.621 -2.507 3.871 1.00 0.00 O ATOM 0 H GLY A 37 1.148 -0.141 4.531 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.066 -0.277 2.260 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.193 0.723 3.694 1.00 0.00 H new ATOM 603 N GLY A 38 4.847 -0.857 4.661 1.00 0.00 N ATOM 604 CA GLY A 38 5.816 -1.783 5.320 1.00 0.00 C ATOM 605 C GLY A 38 7.204 -1.129 5.368 1.00 0.00 C ATOM 606 O GLY A 38 8.111 -1.639 6.001 1.00 0.00 O ATOM 0 H GLY A 38 5.054 0.134 4.784 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.479 -2.019 6.329 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.865 -2.724 4.772 1.00 0.00 H new ATOM 610 N LYS A 39 7.360 -0.004 4.699 1.00 0.00 N ATOM 611 CA LYS A 39 8.657 0.737 4.672 1.00 0.00 C ATOM 612 C LYS A 39 9.684 0.011 3.814 1.00 0.00 C ATOM 613 O LYS A 39 10.248 -0.987 4.212 1.00 0.00 O ATOM 614 CB LYS A 39 9.222 0.908 6.081 1.00 0.00 C ATOM 615 CG LYS A 39 10.592 1.589 5.981 1.00 0.00 C ATOM 616 CD LYS A 39 10.427 3.004 5.422 1.00 0.00 C ATOM 617 CE LYS A 39 11.748 3.477 4.815 1.00 0.00 C ATOM 618 NZ LYS A 39 12.849 3.259 5.792 1.00 0.00 N ATOM 0 H LYS A 39 6.617 0.438 4.158 1.00 0.00 H new ATOM 0 HA LYS A 39 8.456 1.718 4.242 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.545 1.508 6.689 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.316 -0.061 6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.061 1.629 6.964 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.251 1.008 5.336 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.643 3.017 4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.116 3.684 6.215 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.952 2.933 3.893 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.683 4.533 4.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.712 3.731 5.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.578 3.654 6.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.028 2.239 5.891 1.00 0.00 H new ATOM 632 N ILE A 40 9.958 0.527 2.648 1.00 0.00 N ATOM 633 CA ILE A 40 10.982 -0.123 1.782 1.00 0.00 C ATOM 634 C ILE A 40 12.364 0.327 2.245 1.00 0.00 C ATOM 635 O ILE A 40 12.599 1.492 2.494 1.00 0.00 O ATOM 636 CB ILE A 40 10.769 0.236 0.299 1.00 0.00 C ATOM 637 CG1 ILE A 40 12.118 0.236 -0.450 1.00 0.00 C ATOM 638 CG2 ILE A 40 10.102 1.609 0.169 1.00 0.00 C ATOM 639 CD1 ILE A 40 12.829 1.583 -0.268 1.00 0.00 C ATOM 0 H ILE A 40 9.522 1.363 2.260 1.00 0.00 H new ATOM 0 HA ILE A 40 10.891 -1.206 1.870 1.00 0.00 H new ATOM 0 HB ILE A 40 10.116 -0.515 -0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 40 12.749 -0.570 -0.075 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.953 0.045 -1.510 1.00 0.00 H new ATOM 0 HG21 ILE A 40 9.959 1.846 -0.885 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.135 1.593 0.671 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.737 2.367 0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.779 1.568 -0.802 1.00 0.00 H new ATOM 0 HD12 ILE A 40 12.202 2.382 -0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.011 1.758 0.792 1.00 0.00 H new ATOM 651 N GLU A 41 13.278 -0.584 2.363 1.00 0.00 N ATOM 652 CA GLU A 41 14.639 -0.194 2.809 1.00 0.00 C ATOM 653 C GLU A 41 15.596 -1.386 2.694 1.00 0.00 C ATOM 654 O GLU A 41 16.781 -1.219 2.478 1.00 0.00 O ATOM 655 CB GLU A 41 14.565 0.306 4.252 1.00 0.00 C ATOM 656 CG GLU A 41 14.469 -0.883 5.212 1.00 0.00 C ATOM 657 CD GLU A 41 13.590 -0.507 6.405 1.00 0.00 C ATOM 658 OE1 GLU A 41 14.030 0.296 7.210 1.00 0.00 O ATOM 659 OE2 GLU A 41 12.490 -1.028 6.492 1.00 0.00 O ATOM 0 H GLU A 41 13.146 -1.577 2.172 1.00 0.00 H new ATOM 0 HA GLU A 41 15.021 0.605 2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 41 15.447 0.902 4.485 1.00 0.00 H new ATOM 0 HB3 GLU A 41 13.699 0.956 4.377 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.050 -1.747 4.696 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.464 -1.168 5.555 1.00 0.00 H new ATOM 666 N MET A 42 15.100 -2.589 2.827 1.00 0.00 N ATOM 667 CA MET A 42 15.998 -3.774 2.712 1.00 0.00 C ATOM 668 C MET A 42 16.732 -3.711 1.374 1.00 0.00 C ATOM 669 O MET A 42 16.322 -3.014 0.467 1.00 0.00 O ATOM 670 CB MET A 42 15.172 -5.061 2.790 1.00 0.00 C ATOM 671 CG MET A 42 15.215 -5.606 4.219 1.00 0.00 C ATOM 672 SD MET A 42 14.239 -4.535 5.302 1.00 0.00 S ATOM 673 CE MET A 42 13.703 -5.814 6.463 1.00 0.00 C ATOM 0 H MET A 42 14.119 -2.800 3.009 1.00 0.00 H new ATOM 0 HA MET A 42 16.720 -3.769 3.529 1.00 0.00 H new ATOM 0 HB2 MET A 42 14.141 -4.863 2.495 1.00 0.00 H new ATOM 0 HB3 MET A 42 15.566 -5.802 2.094 1.00 0.00 H new ATOM 0 HG2 MET A 42 14.822 -6.622 4.244 1.00 0.00 H new ATOM 0 HG3 MET A 42 16.246 -5.654 4.570 1.00 0.00 H new ATOM 0 HE1 MET A 42 13.075 -5.366 7.233 1.00 0.00 H new ATOM 0 HE2 MET A 42 13.135 -6.575 5.929 1.00 0.00 H new ATOM 0 HE3 MET A 42 14.576 -6.272 6.928 1.00 0.00 H new ATOM 683 N GLY A 43 17.822 -4.417 1.241 1.00 0.00 N ATOM 684 CA GLY A 43 18.576 -4.367 -0.042 1.00 0.00 C ATOM 685 C GLY A 43 18.712 -2.906 -0.463 1.00 0.00 C ATOM 686 O GLY A 43 19.146 -2.067 0.300 1.00 0.00 O ATOM 0 H GLY A 43 18.220 -5.022 1.960 1.00 0.00 H new ATOM 0 HA2 GLY A 43 19.560 -4.820 0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 43 18.054 -4.937 -0.811 1.00 0.00 H new ATOM 690 N GLU A 44 18.326 -2.593 -1.663 1.00 0.00 N ATOM 691 CA GLU A 44 18.412 -1.181 -2.130 1.00 0.00 C ATOM 692 C GLU A 44 17.601 -1.031 -3.417 1.00 0.00 C ATOM 693 O GLU A 44 17.830 -0.139 -4.208 1.00 0.00 O ATOM 694 CB GLU A 44 19.876 -0.782 -2.385 1.00 0.00 C ATOM 695 CG GLU A 44 20.782 -2.018 -2.364 1.00 0.00 C ATOM 696 CD GLU A 44 22.199 -1.619 -2.781 1.00 0.00 C ATOM 697 OE1 GLU A 44 22.818 -0.862 -2.050 1.00 0.00 O ATOM 698 OE2 GLU A 44 22.641 -2.076 -3.821 1.00 0.00 O ATOM 0 H GLU A 44 17.953 -3.254 -2.345 1.00 0.00 H new ATOM 0 HA GLU A 44 18.008 -0.525 -1.359 1.00 0.00 H new ATOM 0 HB2 GLU A 44 19.959 -0.279 -3.349 1.00 0.00 H new ATOM 0 HB3 GLU A 44 20.203 -0.072 -1.626 1.00 0.00 H new ATOM 0 HG2 GLU A 44 20.795 -2.456 -1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 44 20.393 -2.779 -3.041 1.00 0.00 H new ATOM 705 N THR A 45 16.651 -1.899 -3.625 1.00 0.00 N ATOM 706 CA THR A 45 15.812 -1.824 -4.849 1.00 0.00 C ATOM 707 C THR A 45 14.388 -2.208 -4.461 1.00 0.00 C ATOM 708 O THR A 45 14.211 -3.074 -3.644 1.00 0.00 O ATOM 709 CB THR A 45 16.363 -2.821 -5.874 1.00 0.00 C ATOM 710 OG1 THR A 45 17.717 -2.498 -6.163 1.00 0.00 O ATOM 711 CG2 THR A 45 15.540 -2.763 -7.161 1.00 0.00 C ATOM 0 H THR A 45 16.419 -2.664 -2.992 1.00 0.00 H new ATOM 0 HA THR A 45 15.822 -0.823 -5.279 1.00 0.00 H new ATOM 0 HB THR A 45 16.303 -3.828 -5.460 1.00 0.00 H new ATOM 0 HG1 THR A 45 18.073 -3.135 -6.817 1.00 0.00 H new ATOM 0 HG21 THR A 45 15.941 -3.476 -7.882 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.502 -3.014 -6.941 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.589 -1.758 -7.579 1.00 0.00 H new ATOM 719 N PRO A 46 13.413 -1.560 -5.043 1.00 0.00 N ATOM 720 CA PRO A 46 11.997 -1.845 -4.740 1.00 0.00 C ATOM 721 C PRO A 46 11.712 -3.347 -4.801 1.00 0.00 C ATOM 722 O PRO A 46 10.719 -3.807 -4.284 1.00 0.00 O ATOM 723 CB PRO A 46 11.211 -1.081 -5.809 1.00 0.00 C ATOM 724 CG PRO A 46 12.215 -0.167 -6.560 1.00 0.00 C ATOM 725 CD PRO A 46 13.628 -0.507 -6.051 1.00 0.00 C ATOM 0 HA PRO A 46 11.719 -1.536 -3.732 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.731 -1.774 -6.501 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.419 -0.487 -5.352 1.00 0.00 H new ATOM 0 HG2 PRO A 46 12.147 -0.327 -7.636 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.986 0.883 -6.379 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.268 -0.857 -6.861 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.114 0.366 -5.616 1.00 0.00 H new ATOM 733 N GLU A 47 12.569 -4.122 -5.405 1.00 0.00 N ATOM 734 CA GLU A 47 12.319 -5.585 -5.451 1.00 0.00 C ATOM 735 C GLU A 47 12.704 -6.188 -4.103 1.00 0.00 C ATOM 736 O GLU A 47 11.869 -6.432 -3.270 1.00 0.00 O ATOM 737 CB GLU A 47 13.155 -6.227 -6.558 1.00 0.00 C ATOM 738 CG GLU A 47 12.255 -6.558 -7.749 1.00 0.00 C ATOM 739 CD GLU A 47 13.117 -6.850 -8.978 1.00 0.00 C ATOM 740 OE1 GLU A 47 14.087 -7.575 -8.837 1.00 0.00 O ATOM 741 OE2 GLU A 47 12.793 -6.344 -10.039 1.00 0.00 O ATOM 0 H GLU A 47 13.424 -3.807 -5.864 1.00 0.00 H new ATOM 0 HA GLU A 47 11.265 -5.770 -5.658 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.951 -5.549 -6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.634 -7.133 -6.188 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.630 -7.421 -7.517 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.583 -5.724 -7.953 1.00 0.00 H new ATOM 748 N GLN A 48 13.959 -6.428 -3.866 1.00 0.00 N ATOM 749 CA GLN A 48 14.345 -7.008 -2.549 1.00 0.00 C ATOM 750 C GLN A 48 13.739 -6.169 -1.438 1.00 0.00 C ATOM 751 O GLN A 48 13.549 -6.627 -0.340 1.00 0.00 O ATOM 752 CB GLN A 48 15.861 -7.000 -2.379 1.00 0.00 C ATOM 753 CG GLN A 48 16.469 -8.122 -3.218 1.00 0.00 C ATOM 754 CD GLN A 48 17.889 -8.418 -2.731 1.00 0.00 C ATOM 755 OE1 GLN A 48 18.849 -7.919 -3.284 1.00 0.00 O ATOM 756 NE2 GLN A 48 18.063 -9.217 -1.715 1.00 0.00 N ATOM 0 H GLN A 48 14.727 -6.252 -4.514 1.00 0.00 H new ATOM 0 HA GLN A 48 13.981 -8.035 -2.505 1.00 0.00 H new ATOM 0 HB2 GLN A 48 16.268 -6.037 -2.689 1.00 0.00 H new ATOM 0 HB3 GLN A 48 16.121 -7.133 -1.329 1.00 0.00 H new ATOM 0 HG2 GLN A 48 15.854 -9.019 -3.144 1.00 0.00 H new ATOM 0 HG3 GLN A 48 16.487 -7.834 -4.269 1.00 0.00 H new ATOM 0 HE21 GLN A 48 17.257 -9.635 -1.251 1.00 0.00 H new ATOM 0 HE22 GLN A 48 19.005 -9.423 -1.384 1.00 0.00 H new ATOM 765 N ALA A 49 13.451 -4.939 -1.716 1.00 0.00 N ATOM 766 CA ALA A 49 12.872 -4.061 -0.671 1.00 0.00 C ATOM 767 C ALA A 49 11.433 -4.468 -0.398 1.00 0.00 C ATOM 768 O ALA A 49 11.099 -4.881 0.681 1.00 0.00 O ATOM 769 CB ALA A 49 12.890 -2.610 -1.146 1.00 0.00 C ATOM 0 H ALA A 49 13.591 -4.499 -2.625 1.00 0.00 H new ATOM 0 HA ALA A 49 13.464 -4.159 0.239 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.463 -1.969 -0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.917 -2.305 -1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.302 -2.519 -2.059 1.00 0.00 H new ATOM 775 N VAL A 50 10.576 -4.338 -1.364 1.00 0.00 N ATOM 776 CA VAL A 50 9.148 -4.698 -1.143 1.00 0.00 C ATOM 777 C VAL A 50 9.002 -6.210 -1.001 1.00 0.00 C ATOM 778 O VAL A 50 8.373 -6.703 -0.092 1.00 0.00 O ATOM 779 CB VAL A 50 8.305 -4.193 -2.318 1.00 0.00 C ATOM 780 CG1 VAL A 50 8.385 -5.161 -3.504 1.00 0.00 C ATOM 781 CG2 VAL A 50 6.851 -4.081 -1.878 1.00 0.00 C ATOM 0 H VAL A 50 10.799 -3.998 -2.299 1.00 0.00 H new ATOM 0 HA VAL A 50 8.798 -4.229 -0.223 1.00 0.00 H new ATOM 0 HB VAL A 50 8.690 -3.221 -2.627 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.778 -4.781 -4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.421 -5.252 -3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.013 -6.139 -3.201 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.246 -3.722 -2.710 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.490 -5.060 -1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.776 -3.381 -1.046 1.00 0.00 H new ATOM 791 N VAL A 51 9.575 -6.935 -1.902 1.00 0.00 N ATOM 792 CA VAL A 51 9.492 -8.419 -1.868 1.00 0.00 C ATOM 793 C VAL A 51 9.937 -8.946 -0.496 1.00 0.00 C ATOM 794 O VAL A 51 9.310 -9.813 0.081 1.00 0.00 O ATOM 795 CB VAL A 51 10.404 -8.970 -2.971 1.00 0.00 C ATOM 796 CG1 VAL A 51 11.833 -9.088 -2.452 1.00 0.00 C ATOM 797 CG2 VAL A 51 9.915 -10.346 -3.409 1.00 0.00 C ATOM 0 H VAL A 51 10.112 -6.558 -2.683 1.00 0.00 H new ATOM 0 HA VAL A 51 8.464 -8.742 -2.033 1.00 0.00 H new ATOM 0 HB VAL A 51 10.380 -8.287 -3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 51 12.475 -9.480 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.192 -8.105 -2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.855 -9.764 -1.597 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.567 -10.731 -4.193 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.930 -11.026 -2.557 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.897 -10.266 -3.791 1.00 0.00 H new ATOM 807 N ARG A 52 11.017 -8.430 0.030 1.00 0.00 N ATOM 808 CA ARG A 52 11.498 -8.901 1.356 1.00 0.00 C ATOM 809 C ARG A 52 10.569 -8.341 2.428 1.00 0.00 C ATOM 810 O ARG A 52 10.205 -9.021 3.360 1.00 0.00 O ATOM 811 CB ARG A 52 12.931 -8.412 1.582 1.00 0.00 C ATOM 812 CG ARG A 52 13.878 -9.158 0.640 1.00 0.00 C ATOM 813 CD ARG A 52 14.644 -10.216 1.437 1.00 0.00 C ATOM 814 NE ARG A 52 15.139 -11.277 0.516 1.00 0.00 N ATOM 815 CZ ARG A 52 16.057 -12.112 0.919 1.00 0.00 C ATOM 816 NH1 ARG A 52 16.176 -12.385 2.189 1.00 0.00 N ATOM 817 NH2 ARG A 52 16.855 -12.678 0.056 1.00 0.00 N ATOM 0 H ARG A 52 11.585 -7.702 -0.404 1.00 0.00 H new ATOM 0 HA ARG A 52 11.494 -9.990 1.401 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.993 -7.339 1.403 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.225 -8.579 2.618 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.314 -9.629 -0.165 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.574 -8.460 0.176 1.00 0.00 H new ATOM 0 HD2 ARG A 52 15.482 -9.755 1.960 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.996 -10.653 2.196 1.00 0.00 H new ATOM 0 HE ARG A 52 14.761 -11.351 -0.428 1.00 0.00 H new ATOM 0 HH11 ARG A 52 15.552 -11.946 2.866 1.00 0.00 H new ATOM 0 HH12 ARG A 52 16.893 -13.038 2.505 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.763 -12.468 -0.938 1.00 0.00 H new ATOM 0 HH22 ARG A 52 17.571 -13.330 0.375 1.00 0.00 H new ATOM 831 N GLU A 53 10.153 -7.115 2.270 1.00 0.00 N ATOM 832 CA GLU A 53 9.206 -6.512 3.248 1.00 0.00 C ATOM 833 C GLU A 53 7.880 -7.254 3.133 1.00 0.00 C ATOM 834 O GLU A 53 7.019 -7.163 3.982 1.00 0.00 O ATOM 835 CB GLU A 53 8.983 -5.040 2.907 1.00 0.00 C ATOM 836 CG GLU A 53 10.313 -4.297 2.975 1.00 0.00 C ATOM 837 CD GLU A 53 10.408 -3.537 4.297 1.00 0.00 C ATOM 838 OE1 GLU A 53 9.368 -3.214 4.846 1.00 0.00 O ATOM 839 OE2 GLU A 53 11.518 -3.291 4.738 1.00 0.00 O ATOM 0 H GLU A 53 10.430 -6.503 1.502 1.00 0.00 H new ATOM 0 HA GLU A 53 9.608 -6.588 4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.553 -4.948 1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.271 -4.598 3.604 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.140 -5.002 2.889 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.397 -3.604 2.138 1.00 0.00 H new ATOM 846 N LEU A 54 7.723 -7.993 2.072 1.00 0.00 N ATOM 847 CA LEU A 54 6.474 -8.759 1.853 1.00 0.00 C ATOM 848 C LEU A 54 6.532 -10.040 2.686 1.00 0.00 C ATOM 849 O LEU A 54 5.716 -10.266 3.559 1.00 0.00 O ATOM 850 CB LEU A 54 6.379 -9.109 0.357 1.00 0.00 C ATOM 851 CG LEU A 54 5.323 -8.243 -0.354 1.00 0.00 C ATOM 852 CD1 LEU A 54 4.046 -8.182 0.477 1.00 0.00 C ATOM 853 CD2 LEU A 54 5.866 -6.827 -0.542 1.00 0.00 C ATOM 0 H LEU A 54 8.422 -8.098 1.337 1.00 0.00 H new ATOM 0 HA LEU A 54 5.602 -8.176 2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.350 -8.963 -0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.125 -10.163 0.243 1.00 0.00 H new ATOM 0 HG LEU A 54 5.099 -8.687 -1.324 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.307 -7.567 -0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.650 -9.189 0.611 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.267 -7.747 1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.118 -6.214 -1.045 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.095 -6.393 0.431 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.773 -6.862 -1.146 1.00 0.00 H new ATOM 865 N GLN A 55 7.496 -10.878 2.423 1.00 0.00 N ATOM 866 CA GLN A 55 7.616 -12.147 3.196 1.00 0.00 C ATOM 867 C GLN A 55 7.827 -11.835 4.682 1.00 0.00 C ATOM 868 O GLN A 55 7.099 -12.309 5.531 1.00 0.00 O ATOM 869 CB GLN A 55 8.799 -12.970 2.672 1.00 0.00 C ATOM 870 CG GLN A 55 9.928 -12.044 2.204 1.00 0.00 C ATOM 871 CD GLN A 55 11.255 -12.530 2.789 1.00 0.00 C ATOM 872 OE1 GLN A 55 11.503 -12.344 4.056 1.00 0.00 O flip ATOM 873 NE2 GLN A 55 12.075 -13.083 2.086 1.00 0.00 N flip ATOM 0 H GLN A 55 8.207 -10.739 1.705 1.00 0.00 H new ATOM 0 HA GLN A 55 6.697 -12.721 3.075 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.165 -13.633 3.456 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.473 -13.603 1.846 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.979 -12.035 1.115 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.730 -11.020 2.522 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.882 -13.229 1.095 1.00 0.00 H new ATOM 0 HE22 GLN A 55 12.957 -13.402 2.486 1.00 0.00 H new ATOM 882 N GLU A 56 8.820 -11.047 5.005 1.00 0.00 N ATOM 883 CA GLU A 56 9.072 -10.716 6.437 1.00 0.00 C ATOM 884 C GLU A 56 7.755 -10.348 7.119 1.00 0.00 C ATOM 885 O GLU A 56 7.615 -10.466 8.320 1.00 0.00 O ATOM 886 CB GLU A 56 10.050 -9.538 6.539 1.00 0.00 C ATOM 887 CG GLU A 56 9.542 -8.352 5.719 1.00 0.00 C ATOM 888 CD GLU A 56 8.802 -7.360 6.625 1.00 0.00 C ATOM 889 OE1 GLU A 56 8.275 -7.793 7.637 1.00 0.00 O ATOM 890 OE2 GLU A 56 8.778 -6.179 6.291 1.00 0.00 O ATOM 0 H GLU A 56 9.465 -10.620 4.340 1.00 0.00 H new ATOM 0 HA GLU A 56 9.507 -11.585 6.931 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.167 -9.244 7.582 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.034 -9.841 6.181 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.379 -7.854 5.229 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.875 -8.704 4.932 1.00 0.00 H new ATOM 897 N GLU A 57 6.785 -9.905 6.366 1.00 0.00 N ATOM 898 CA GLU A 57 5.483 -9.538 6.980 1.00 0.00 C ATOM 899 C GLU A 57 4.661 -10.804 7.231 1.00 0.00 C ATOM 900 O GLU A 57 4.811 -11.465 8.238 1.00 0.00 O ATOM 901 CB GLU A 57 4.727 -8.584 6.048 1.00 0.00 C ATOM 902 CG GLU A 57 4.917 -7.155 6.555 1.00 0.00 C ATOM 903 CD GLU A 57 5.125 -6.193 5.383 1.00 0.00 C ATOM 904 OE1 GLU A 57 4.374 -6.281 4.427 1.00 0.00 O ATOM 905 OE2 GLU A 57 6.039 -5.380 5.466 1.00 0.00 O ATOM 0 H GLU A 57 6.840 -9.783 5.355 1.00 0.00 H new ATOM 0 HA GLU A 57 5.654 -9.036 7.932 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.100 -8.676 5.028 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.668 -8.839 6.024 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.045 -6.849 7.134 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.776 -7.112 7.225 1.00 0.00 H new ATOM 912 N VAL A 58 3.788 -11.141 6.326 1.00 0.00 N ATOM 913 CA VAL A 58 2.950 -12.353 6.500 1.00 0.00 C ATOM 914 C VAL A 58 3.748 -13.604 6.120 1.00 0.00 C ATOM 915 O VAL A 58 4.249 -14.305 6.976 1.00 0.00 O ATOM 916 CB VAL A 58 1.724 -12.197 5.616 1.00 0.00 C ATOM 917 CG1 VAL A 58 0.778 -13.375 5.807 1.00 0.00 C ATOM 918 CG2 VAL A 58 1.020 -10.897 6.007 1.00 0.00 C ATOM 0 H VAL A 58 3.619 -10.622 5.465 1.00 0.00 H new ATOM 0 HA VAL A 58 2.644 -12.466 7.540 1.00 0.00 H new ATOM 0 HB VAL A 58 2.023 -12.169 4.568 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.095 -13.248 5.167 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.291 -14.300 5.542 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.460 -13.421 6.849 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.135 -10.762 5.386 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.724 -10.945 7.055 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.699 -10.057 5.859 1.00 0.00 H new ATOM 928 N GLY A 59 3.893 -13.892 4.850 1.00 0.00 N ATOM 929 CA GLY A 59 4.686 -15.099 4.469 1.00 0.00 C ATOM 930 C GLY A 59 4.126 -15.796 3.217 1.00 0.00 C ATOM 931 O GLY A 59 4.365 -16.969 3.010 1.00 0.00 O ATOM 0 H GLY A 59 3.505 -13.355 4.075 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.721 -14.808 4.288 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.694 -15.803 5.301 1.00 0.00 H new ATOM 935 N ILE A 60 3.413 -15.106 2.363 1.00 0.00 N ATOM 936 CA ILE A 60 2.902 -15.788 1.130 1.00 0.00 C ATOM 937 C ILE A 60 4.019 -15.749 0.073 1.00 0.00 C ATOM 938 O ILE A 60 5.183 -15.828 0.411 1.00 0.00 O ATOM 939 CB ILE A 60 1.647 -15.085 0.605 1.00 0.00 C ATOM 940 CG1 ILE A 60 2.006 -13.672 0.177 1.00 0.00 C ATOM 941 CG2 ILE A 60 0.588 -15.026 1.708 1.00 0.00 C ATOM 942 CD1 ILE A 60 1.731 -13.494 -1.317 1.00 0.00 C ATOM 0 H ILE A 60 3.165 -14.121 2.460 1.00 0.00 H new ATOM 0 HA ILE A 60 2.630 -16.819 1.357 1.00 0.00 H new ATOM 0 HB ILE A 60 1.251 -15.639 -0.246 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.425 -12.950 0.751 1.00 0.00 H new ATOM 0 HG13 ILE A 60 3.057 -13.475 0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.303 -14.525 1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.331 -16.038 2.020 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.981 -14.473 2.561 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.991 -12.479 -1.616 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.332 -14.205 -1.885 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.674 -13.672 -1.516 1.00 0.00 H new ATOM 954 N THR A 61 3.707 -15.635 -1.197 1.00 0.00 N ATOM 955 CA THR A 61 4.818 -15.606 -2.201 1.00 0.00 C ATOM 956 C THR A 61 4.370 -15.013 -3.555 1.00 0.00 C ATOM 957 O THR A 61 4.857 -13.975 -3.953 1.00 0.00 O ATOM 958 CB THR A 61 5.360 -17.037 -2.389 1.00 0.00 C ATOM 959 OG1 THR A 61 6.366 -17.280 -1.416 1.00 0.00 O ATOM 960 CG2 THR A 61 5.964 -17.211 -3.790 1.00 0.00 C ATOM 0 H THR A 61 2.762 -15.563 -1.573 1.00 0.00 H new ATOM 0 HA THR A 61 5.605 -14.954 -1.821 1.00 0.00 H new ATOM 0 HB THR A 61 4.538 -17.743 -2.273 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.274 -16.636 -0.683 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.340 -18.228 -3.900 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.198 -17.024 -4.542 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.783 -16.505 -3.923 1.00 0.00 H new ATOM 968 N PRO A 62 3.497 -15.705 -4.244 1.00 0.00 N ATOM 969 CA PRO A 62 3.031 -15.277 -5.576 1.00 0.00 C ATOM 970 C PRO A 62 2.724 -13.774 -5.634 1.00 0.00 C ATOM 971 O PRO A 62 3.600 -12.977 -5.892 1.00 0.00 O ATOM 972 CB PRO A 62 1.798 -16.155 -5.851 1.00 0.00 C ATOM 973 CG PRO A 62 1.755 -17.245 -4.758 1.00 0.00 C ATOM 974 CD PRO A 62 2.887 -16.955 -3.760 1.00 0.00 C ATOM 0 HA PRO A 62 3.795 -15.409 -6.342 1.00 0.00 H new ATOM 0 HB2 PRO A 62 0.888 -15.556 -5.831 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.861 -16.606 -6.841 1.00 0.00 H new ATOM 0 HG2 PRO A 62 0.789 -17.241 -4.252 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.879 -18.234 -5.200 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.503 -16.842 -2.746 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.613 -17.768 -3.737 1.00 0.00 H new ATOM 982 N GLN A 63 1.496 -13.386 -5.433 1.00 0.00 N ATOM 983 CA GLN A 63 1.112 -11.945 -5.499 1.00 0.00 C ATOM 984 C GLN A 63 1.546 -11.307 -6.838 1.00 0.00 C ATOM 985 O GLN A 63 1.386 -10.127 -7.016 1.00 0.00 O ATOM 986 CB GLN A 63 1.722 -11.180 -4.305 1.00 0.00 C ATOM 987 CG GLN A 63 3.217 -10.926 -4.515 1.00 0.00 C ATOM 988 CD GLN A 63 3.599 -9.583 -3.885 1.00 0.00 C ATOM 989 OE1 GLN A 63 2.743 -8.785 -3.566 1.00 0.00 O ATOM 990 NE2 GLN A 63 4.857 -9.303 -3.686 1.00 0.00 N ATOM 0 H GLN A 63 0.725 -14.019 -5.221 1.00 0.00 H new ATOM 0 HA GLN A 63 0.025 -11.879 -5.442 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.204 -10.230 -4.176 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.573 -11.752 -3.389 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.800 -11.730 -4.066 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.450 -10.920 -5.580 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.577 -9.974 -3.954 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.121 -8.413 -3.262 1.00 0.00 H new ATOM 999 N HIS A 64 2.061 -12.074 -7.784 1.00 0.00 N ATOM 1000 CA HIS A 64 2.484 -11.496 -9.114 1.00 0.00 C ATOM 1001 C HIS A 64 2.754 -9.993 -8.983 1.00 0.00 C ATOM 1002 O HIS A 64 2.229 -9.185 -9.722 1.00 0.00 O ATOM 1003 CB HIS A 64 1.376 -11.725 -10.141 1.00 0.00 C ATOM 1004 CG HIS A 64 1.965 -11.709 -11.525 1.00 0.00 C ATOM 1005 ND1 HIS A 64 1.275 -12.194 -12.625 1.00 0.00 N ATOM 1006 CD2 HIS A 64 3.174 -11.271 -12.002 1.00 0.00 C ATOM 1007 CE1 HIS A 64 2.066 -12.036 -13.701 1.00 0.00 C ATOM 1008 NE2 HIS A 64 3.237 -11.478 -13.377 1.00 0.00 N ATOM 0 H HIS A 64 2.207 -13.079 -7.691 1.00 0.00 H new ATOM 0 HA HIS A 64 3.399 -11.991 -9.438 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.884 -12.680 -9.954 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.614 -10.951 -10.049 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.958 -10.832 -11.402 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.789 -12.325 -14.704 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.010 -11.252 -14.003 1.00 0.00 H new ATOM 1016 N PHE A 65 3.545 -9.625 -8.019 1.00 0.00 N ATOM 1017 CA PHE A 65 3.848 -8.188 -7.772 1.00 0.00 C ATOM 1018 C PHE A 65 3.931 -7.384 -9.073 1.00 0.00 C ATOM 1019 O PHE A 65 4.457 -7.829 -10.075 1.00 0.00 O ATOM 1020 CB PHE A 65 5.170 -8.087 -7.019 1.00 0.00 C ATOM 1021 CG PHE A 65 6.122 -9.153 -7.517 1.00 0.00 C ATOM 1022 CD1 PHE A 65 6.670 -9.061 -8.804 1.00 0.00 C ATOM 1023 CD2 PHE A 65 6.456 -10.234 -6.692 1.00 0.00 C ATOM 1024 CE1 PHE A 65 7.550 -10.050 -9.263 1.00 0.00 C ATOM 1025 CE2 PHE A 65 7.334 -11.223 -7.152 1.00 0.00 C ATOM 1026 CZ PHE A 65 7.882 -11.131 -8.437 1.00 0.00 C ATOM 0 H PHE A 65 4.005 -10.272 -7.378 1.00 0.00 H new ATOM 0 HA PHE A 65 3.035 -7.765 -7.182 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.607 -7.099 -7.163 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.001 -8.208 -5.949 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.414 -8.228 -9.442 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.036 -10.305 -5.700 1.00 0.00 H new ATOM 0 HE1 PHE A 65 7.972 -9.979 -10.254 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.589 -12.057 -6.515 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.560 -11.893 -8.791 1.00 0.00 H new ATOM 1036 N SER A 66 3.425 -6.180 -9.035 1.00 0.00 N ATOM 1037 CA SER A 66 3.463 -5.283 -10.224 1.00 0.00 C ATOM 1038 C SER A 66 3.647 -3.851 -9.716 1.00 0.00 C ATOM 1039 O SER A 66 3.191 -3.512 -8.643 1.00 0.00 O ATOM 1040 CB SER A 66 2.148 -5.389 -11.001 1.00 0.00 C ATOM 1041 OG SER A 66 2.428 -5.709 -12.359 1.00 0.00 O ATOM 0 H SER A 66 2.978 -5.774 -8.213 1.00 0.00 H new ATOM 0 HA SER A 66 4.279 -5.565 -10.889 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.512 -6.156 -10.559 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.601 -4.448 -10.943 1.00 0.00 H new ATOM 0 HG SER A 66 1.588 -5.779 -12.858 1.00 0.00 H new ATOM 1047 N LEU A 67 4.320 -3.011 -10.450 1.00 0.00 N ATOM 1048 CA LEU A 67 4.527 -1.618 -9.958 1.00 0.00 C ATOM 1049 C LEU A 67 3.253 -0.790 -10.166 1.00 0.00 C ATOM 1050 O LEU A 67 2.639 -0.353 -9.223 1.00 0.00 O ATOM 1051 CB LEU A 67 5.689 -0.962 -10.723 1.00 0.00 C ATOM 1052 CG LEU A 67 6.458 0.061 -9.852 1.00 0.00 C ATOM 1053 CD1 LEU A 67 6.561 1.382 -10.611 1.00 0.00 C ATOM 1054 CD2 LEU A 67 5.751 0.322 -8.514 1.00 0.00 C ATOM 0 H LEU A 67 4.732 -3.223 -11.359 1.00 0.00 H new ATOM 0 HA LEU A 67 4.763 -1.654 -8.895 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.377 -1.734 -11.067 1.00 0.00 H new ATOM 0 HB3 LEU A 67 5.301 -0.462 -11.611 1.00 0.00 H new ATOM 0 HG LEU A 67 7.444 -0.354 -9.643 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.101 2.109 -10.005 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.095 1.223 -11.548 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.560 1.759 -10.823 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.324 1.045 -7.935 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.752 0.717 -8.701 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.674 -0.611 -7.955 1.00 0.00 H new ATOM 1066 N PHE A 68 2.880 -0.568 -11.397 1.00 0.00 N ATOM 1067 CA PHE A 68 1.662 0.240 -11.717 1.00 0.00 C ATOM 1068 C PHE A 68 2.033 1.730 -11.669 1.00 0.00 C ATOM 1069 O PHE A 68 1.780 2.469 -12.599 1.00 0.00 O ATOM 1070 CB PHE A 68 0.507 -0.105 -10.745 1.00 0.00 C ATOM 1071 CG PHE A 68 -0.123 1.147 -10.163 1.00 0.00 C ATOM 1072 CD1 PHE A 68 -1.096 1.840 -10.894 1.00 0.00 C ATOM 1073 CD2 PHE A 68 0.266 1.609 -8.900 1.00 0.00 C ATOM 1074 CE1 PHE A 68 -1.680 2.996 -10.361 1.00 0.00 C ATOM 1075 CE2 PHE A 68 -0.318 2.765 -8.368 1.00 0.00 C ATOM 1076 CZ PHE A 68 -1.291 3.457 -9.099 1.00 0.00 C ATOM 0 H PHE A 68 3.378 -0.920 -12.215 1.00 0.00 H new ATOM 0 HA PHE A 68 1.306 0.002 -12.720 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.252 -0.685 -11.271 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.885 -0.733 -9.938 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.396 1.483 -11.868 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.016 1.074 -8.336 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.430 3.531 -10.924 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.018 3.123 -7.394 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.742 4.348 -8.688 1.00 0.00 H new ATOM 1086 N GLU A 69 2.645 2.169 -10.604 1.00 0.00 N ATOM 1087 CA GLU A 69 3.047 3.602 -10.509 1.00 0.00 C ATOM 1088 C GLU A 69 3.354 3.949 -9.057 1.00 0.00 C ATOM 1089 O GLU A 69 3.250 3.123 -8.177 1.00 0.00 O ATOM 1090 CB GLU A 69 1.920 4.498 -11.023 1.00 0.00 C ATOM 1091 CG GLU A 69 2.395 5.234 -12.279 1.00 0.00 C ATOM 1092 CD GLU A 69 1.243 5.339 -13.279 1.00 0.00 C ATOM 1093 OE1 GLU A 69 0.682 4.310 -13.616 1.00 0.00 O ATOM 1094 OE2 GLU A 69 0.945 6.446 -13.693 1.00 0.00 O ATOM 0 H GLU A 69 2.885 1.597 -9.794 1.00 0.00 H new ATOM 0 HA GLU A 69 3.936 3.764 -11.119 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.038 3.899 -11.250 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.630 5.215 -10.255 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.753 6.229 -12.016 1.00 0.00 H new ATOM 0 HG3 GLU A 69 3.233 4.702 -12.729 1.00 0.00 H new ATOM 1101 N LYS A 70 3.750 5.163 -8.802 1.00 0.00 N ATOM 1102 CA LYS A 70 4.078 5.554 -7.407 1.00 0.00 C ATOM 1103 C LYS A 70 4.051 7.078 -7.278 1.00 0.00 C ATOM 1104 O LYS A 70 3.970 7.790 -8.259 1.00 0.00 O ATOM 1105 CB LYS A 70 5.472 5.031 -7.069 1.00 0.00 C ATOM 1106 CG LYS A 70 6.463 5.506 -8.131 1.00 0.00 C ATOM 1107 CD LYS A 70 7.872 5.519 -7.541 1.00 0.00 C ATOM 1108 CE LYS A 70 7.968 6.617 -6.481 1.00 0.00 C ATOM 1109 NZ LYS A 70 9.391 6.793 -6.075 1.00 0.00 N ATOM 0 H LYS A 70 3.860 5.900 -9.499 1.00 0.00 H new ATOM 0 HA LYS A 70 3.346 5.130 -6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.778 5.387 -6.085 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.463 3.942 -7.025 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.426 4.847 -8.999 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.192 6.504 -8.476 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.102 4.550 -7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.606 5.692 -8.328 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.573 7.553 -6.875 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.361 6.355 -5.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.493 7.681 -5.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.682 5.995 -5.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.992 6.826 -6.923 1.00 0.00 H new ATOM 1123 N LEU A 71 4.126 7.587 -6.076 1.00 0.00 N ATOM 1124 CA LEU A 71 4.113 9.067 -5.899 1.00 0.00 C ATOM 1125 C LEU A 71 5.175 9.484 -4.879 1.00 0.00 C ATOM 1126 O LEU A 71 5.770 8.663 -4.209 1.00 0.00 O ATOM 1127 CB LEU A 71 2.731 9.532 -5.411 1.00 0.00 C ATOM 1128 CG LEU A 71 2.212 8.630 -4.279 1.00 0.00 C ATOM 1129 CD1 LEU A 71 3.244 8.535 -3.152 1.00 0.00 C ATOM 1130 CD2 LEU A 71 0.918 9.225 -3.719 1.00 0.00 C ATOM 0 H LEU A 71 4.195 7.045 -5.215 1.00 0.00 H new ATOM 0 HA LEU A 71 4.331 9.532 -6.861 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.793 10.562 -5.060 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.026 9.521 -6.242 1.00 0.00 H new ATOM 0 HG LEU A 71 2.031 7.632 -4.679 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.859 7.893 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.171 8.115 -3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.437 9.530 -2.751 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.544 8.591 -2.916 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.115 10.224 -3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.172 9.285 -4.512 1.00 0.00 H new ATOM 1142 N GLU A 72 5.396 10.761 -4.746 1.00 0.00 N ATOM 1143 CA GLU A 72 6.392 11.257 -3.759 1.00 0.00 C ATOM 1144 C GLU A 72 5.948 12.636 -3.280 1.00 0.00 C ATOM 1145 O GLU A 72 6.241 13.645 -3.892 1.00 0.00 O ATOM 1146 CB GLU A 72 7.777 11.353 -4.407 1.00 0.00 C ATOM 1147 CG GLU A 72 8.843 10.926 -3.390 1.00 0.00 C ATOM 1148 CD GLU A 72 10.129 10.540 -4.122 1.00 0.00 C ATOM 1149 OE1 GLU A 72 10.451 11.193 -5.100 1.00 0.00 O ATOM 1150 OE2 GLU A 72 10.773 9.598 -3.690 1.00 0.00 O ATOM 0 H GLU A 72 4.925 11.488 -5.284 1.00 0.00 H new ATOM 0 HA GLU A 72 6.454 10.567 -2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.823 10.715 -5.289 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.965 12.373 -4.741 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.041 11.740 -2.692 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.481 10.083 -2.802 1.00 0.00 H new ATOM 1157 N TYR A 73 5.239 12.688 -2.188 1.00 0.00 N ATOM 1158 CA TYR A 73 4.773 13.998 -1.671 1.00 0.00 C ATOM 1159 C TYR A 73 5.929 14.654 -0.929 1.00 0.00 C ATOM 1160 O TYR A 73 6.478 14.093 -0.001 1.00 0.00 O ATOM 1161 CB TYR A 73 3.586 13.789 -0.724 1.00 0.00 C ATOM 1162 CG TYR A 73 2.438 14.664 -1.162 1.00 0.00 C ATOM 1163 CD1 TYR A 73 2.613 16.048 -1.268 1.00 0.00 C ATOM 1164 CD2 TYR A 73 1.197 14.090 -1.464 1.00 0.00 C ATOM 1165 CE1 TYR A 73 1.548 16.858 -1.674 1.00 0.00 C ATOM 1166 CE2 TYR A 73 0.131 14.901 -1.871 1.00 0.00 C ATOM 1167 CZ TYR A 73 0.306 16.286 -1.976 1.00 0.00 C ATOM 1168 OH TYR A 73 -0.744 17.086 -2.376 1.00 0.00 O ATOM 0 H TYR A 73 4.963 11.878 -1.633 1.00 0.00 H new ATOM 0 HA TYR A 73 4.448 14.637 -2.492 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.283 12.742 -0.729 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.875 14.033 0.298 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.570 16.491 -1.036 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.062 13.022 -1.383 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.684 17.926 -1.755 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -0.826 14.458 -2.104 1.00 0.00 H new ATOM 0 HH TYR A 73 -1.532 16.530 -2.547 1.00 0.00 H new ATOM 1178 N GLU A 74 6.321 15.827 -1.332 1.00 0.00 N ATOM 1179 CA GLU A 74 7.457 16.486 -0.648 1.00 0.00 C ATOM 1180 C GLU A 74 6.925 17.460 0.397 1.00 0.00 C ATOM 1181 O GLU A 74 6.100 18.307 0.113 1.00 0.00 O ATOM 1182 CB GLU A 74 8.311 17.239 -1.670 1.00 0.00 C ATOM 1183 CG GLU A 74 9.754 17.318 -1.165 1.00 0.00 C ATOM 1184 CD GLU A 74 10.610 18.082 -2.178 1.00 0.00 C ATOM 1185 OE1 GLU A 74 11.141 17.447 -3.072 1.00 0.00 O ATOM 1186 OE2 GLU A 74 10.719 19.290 -2.040 1.00 0.00 O ATOM 0 H GLU A 74 5.905 16.353 -2.101 1.00 0.00 H new ATOM 0 HA GLU A 74 8.072 15.730 -0.159 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.278 16.730 -2.633 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.913 18.242 -1.825 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.785 17.818 -0.197 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.154 16.315 -1.018 1.00 0.00 H new ATOM 1193 N PHE A 75 7.389 17.346 1.606 1.00 0.00 N ATOM 1194 CA PHE A 75 6.908 18.259 2.674 1.00 0.00 C ATOM 1195 C PHE A 75 8.009 19.271 3.004 1.00 0.00 C ATOM 1196 O PHE A 75 9.139 19.105 2.590 1.00 0.00 O ATOM 1197 CB PHE A 75 6.579 17.431 3.918 1.00 0.00 C ATOM 1198 CG PHE A 75 5.142 16.973 3.855 1.00 0.00 C ATOM 1199 CD1 PHE A 75 4.722 16.143 2.808 1.00 0.00 C ATOM 1200 CD2 PHE A 75 4.231 17.374 4.838 1.00 0.00 C ATOM 1201 CE1 PHE A 75 3.391 15.713 2.746 1.00 0.00 C ATOM 1202 CE2 PHE A 75 2.899 16.943 4.776 1.00 0.00 C ATOM 1203 CZ PHE A 75 2.479 16.114 3.729 1.00 0.00 C ATOM 0 H PHE A 75 8.082 16.659 1.902 1.00 0.00 H new ATOM 0 HA PHE A 75 6.017 18.792 2.341 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.244 16.569 3.980 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.743 18.025 4.817 1.00 0.00 H new ATOM 0 HD1 PHE A 75 5.425 15.835 2.048 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.554 18.016 5.644 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.068 15.072 1.939 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.196 17.250 5.536 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.452 15.784 3.680 1.00 0.00 H new ATOM 1213 N PRO A 76 7.652 20.284 3.754 1.00 0.00 N ATOM 1214 CA PRO A 76 8.609 21.324 4.165 1.00 0.00 C ATOM 1215 C PRO A 76 9.876 20.671 4.720 1.00 0.00 C ATOM 1216 O PRO A 76 10.959 21.215 4.644 1.00 0.00 O ATOM 1217 CB PRO A 76 7.874 22.108 5.257 1.00 0.00 C ATOM 1218 CG PRO A 76 6.404 21.612 5.284 1.00 0.00 C ATOM 1219 CD PRO A 76 6.279 20.475 4.258 1.00 0.00 C ATOM 0 HA PRO A 76 8.921 21.967 3.342 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.349 21.951 6.226 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.913 23.178 5.052 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.137 21.260 6.280 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.721 22.425 5.040 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.894 19.565 4.718 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.593 20.740 3.453 1.00 0.00 H new ATOM 1227 N ASP A 77 9.737 19.501 5.270 1.00 0.00 N ATOM 1228 CA ASP A 77 10.911 18.780 5.830 1.00 0.00 C ATOM 1229 C ASP A 77 10.529 17.311 5.985 1.00 0.00 C ATOM 1230 O ASP A 77 10.985 16.625 6.878 1.00 0.00 O ATOM 1231 CB ASP A 77 11.272 19.364 7.198 1.00 0.00 C ATOM 1232 CG ASP A 77 12.370 20.416 7.035 1.00 0.00 C ATOM 1233 OD1 ASP A 77 13.046 20.386 6.020 1.00 0.00 O ATOM 1234 OD2 ASP A 77 12.519 21.232 7.929 1.00 0.00 O ATOM 0 H ASP A 77 8.849 19.007 5.357 1.00 0.00 H new ATOM 0 HA ASP A 77 11.771 18.883 5.168 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.391 19.812 7.657 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.611 18.571 7.865 1.00 0.00 H new ATOM 1239 N ARG A 78 9.671 16.835 5.124 1.00 0.00 N ATOM 1240 CA ARG A 78 9.220 15.421 5.214 1.00 0.00 C ATOM 1241 C ARG A 78 9.122 14.812 3.809 1.00 0.00 C ATOM 1242 O ARG A 78 8.090 14.865 3.170 1.00 0.00 O ATOM 1243 CB ARG A 78 7.843 15.397 5.879 1.00 0.00 C ATOM 1244 CG ARG A 78 7.866 14.454 7.084 1.00 0.00 C ATOM 1245 CD ARG A 78 8.888 14.954 8.110 1.00 0.00 C ATOM 1246 NE ARG A 78 8.963 13.995 9.251 1.00 0.00 N ATOM 1247 CZ ARG A 78 7.886 13.391 9.673 1.00 0.00 C ATOM 1248 NH1 ARG A 78 7.370 12.414 8.976 1.00 0.00 N ATOM 1249 NH2 ARG A 78 7.327 13.761 10.791 1.00 0.00 N ATOM 0 H ARG A 78 9.262 17.370 4.358 1.00 0.00 H new ATOM 0 HA ARG A 78 9.933 14.840 5.798 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.565 16.402 6.197 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.089 15.069 5.163 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.876 14.403 7.537 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.122 13.444 6.763 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.867 15.056 7.643 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.603 15.942 8.471 1.00 0.00 H new ATOM 0 HE ARG A 78 9.859 13.811 9.702 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.809 12.124 8.102 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.528 11.942 9.306 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.731 14.523 11.336 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.485 13.289 11.121 1.00 0.00 H new ATOM 1263 N HIS A 79 10.181 14.225 3.324 1.00 0.00 N ATOM 1264 CA HIS A 79 10.134 13.609 1.966 1.00 0.00 C ATOM 1265 C HIS A 79 9.688 12.152 2.092 1.00 0.00 C ATOM 1266 O HIS A 79 10.384 11.329 2.653 1.00 0.00 O ATOM 1267 CB HIS A 79 11.524 13.661 1.331 1.00 0.00 C ATOM 1268 CG HIS A 79 11.401 14.062 -0.112 1.00 0.00 C ATOM 1269 ND1 HIS A 79 10.392 13.894 -1.029 1.00 0.00 N flip ATOM 1270 CD2 HIS A 79 12.414 14.730 -0.783 1.00 0.00 C flip ATOM 1271 CE1 HIS A 79 10.770 14.447 -2.249 1.00 0.00 C flip ATOM 1272 NE2 HIS A 79 11.996 14.937 -2.045 1.00 0.00 N flip ATOM 0 H HIS A 79 11.076 14.145 3.807 1.00 0.00 H new ATOM 0 HA HIS A 79 9.430 14.158 1.340 1.00 0.00 H new ATOM 0 HB2 HIS A 79 12.153 14.373 1.865 1.00 0.00 H new ATOM 0 HB3 HIS A 79 12.008 12.687 1.409 1.00 0.00 H new ATOM 0 HD2 HIS A 79 13.365 15.030 -0.368 1.00 0.00 H new ATOM 0 HE1 HIS A 79 10.196 14.474 -3.163 1.00 0.00 H new ATOM 0 HE2 HIS A 79 12.548 15.411 -2.760 1.00 0.00 H new ATOM 1280 N ILE A 80 8.529 11.821 1.588 1.00 0.00 N ATOM 1281 CA ILE A 80 8.055 10.414 1.703 1.00 0.00 C ATOM 1282 C ILE A 80 7.866 9.800 0.318 1.00 0.00 C ATOM 1283 O ILE A 80 7.632 10.484 -0.658 1.00 0.00 O ATOM 1284 CB ILE A 80 6.713 10.369 2.436 1.00 0.00 C ATOM 1285 CG1 ILE A 80 6.897 10.797 3.896 1.00 0.00 C ATOM 1286 CG2 ILE A 80 6.174 8.938 2.392 1.00 0.00 C ATOM 1287 CD1 ILE A 80 7.388 12.245 3.951 1.00 0.00 C ATOM 0 H ILE A 80 7.896 12.459 1.106 1.00 0.00 H new ATOM 0 HA ILE A 80 8.805 9.850 2.258 1.00 0.00 H new ATOM 0 HB ILE A 80 6.012 11.050 1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.954 10.702 4.434 1.00 0.00 H new ATOM 0 HG13 ILE A 80 7.614 10.141 4.390 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.217 8.894 2.912 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.038 8.632 1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 80 6.882 8.267 2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 80 7.518 12.546 4.991 1.00 0.00 H new ATOM 0 HD12 ILE A 80 8.341 12.326 3.428 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.656 12.896 3.474 1.00 0.00 H new ATOM 1299 N THR A 81 7.937 8.502 0.245 1.00 0.00 N ATOM 1300 CA THR A 81 7.736 7.802 -1.051 1.00 0.00 C ATOM 1301 C THR A 81 6.837 6.597 -0.794 1.00 0.00 C ATOM 1302 O THR A 81 6.985 5.908 0.194 1.00 0.00 O ATOM 1303 CB THR A 81 9.077 7.315 -1.606 1.00 0.00 C ATOM 1304 OG1 THR A 81 10.092 8.270 -1.319 1.00 0.00 O ATOM 1305 CG2 THR A 81 8.965 7.131 -3.120 1.00 0.00 C ATOM 0 H THR A 81 8.128 7.889 1.038 1.00 0.00 H new ATOM 0 HA THR A 81 7.286 8.482 -1.774 1.00 0.00 H new ATOM 0 HB THR A 81 9.335 6.364 -1.140 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.340 8.741 -2.142 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.919 6.784 -3.516 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.192 6.395 -3.341 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.704 8.082 -3.584 1.00 0.00 H new ATOM 1313 N LEU A 82 5.895 6.339 -1.650 1.00 0.00 N ATOM 1314 CA LEU A 82 4.995 5.180 -1.411 1.00 0.00 C ATOM 1315 C LEU A 82 4.964 4.274 -2.646 1.00 0.00 C ATOM 1316 O LEU A 82 4.010 4.269 -3.400 1.00 0.00 O ATOM 1317 CB LEU A 82 3.591 5.700 -1.104 1.00 0.00 C ATOM 1318 CG LEU A 82 2.918 4.794 -0.076 1.00 0.00 C ATOM 1319 CD1 LEU A 82 2.674 5.583 1.210 1.00 0.00 C ATOM 1320 CD2 LEU A 82 1.580 4.299 -0.632 1.00 0.00 C ATOM 0 H LEU A 82 5.708 6.874 -2.498 1.00 0.00 H new ATOM 0 HA LEU A 82 5.363 4.597 -0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.646 6.720 -0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.997 5.733 -2.018 1.00 0.00 H new ATOM 0 HG LEU A 82 3.562 3.940 0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.193 4.939 1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.626 5.938 1.605 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.029 6.435 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.098 3.652 0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.935 5.152 -0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.753 3.740 -1.552 1.00 0.00 H new ATOM 1332 N TRP A 83 5.998 3.502 -2.855 1.00 0.00 N ATOM 1333 CA TRP A 83 6.023 2.592 -4.040 1.00 0.00 C ATOM 1334 C TRP A 83 4.741 1.760 -4.070 1.00 0.00 C ATOM 1335 O TRP A 83 4.526 0.906 -3.235 1.00 0.00 O ATOM 1336 CB TRP A 83 7.232 1.660 -3.944 1.00 0.00 C ATOM 1337 CG TRP A 83 8.482 2.463 -4.069 1.00 0.00 C ATOM 1338 CD1 TRP A 83 9.138 3.037 -3.038 1.00 0.00 C ATOM 1339 CD2 TRP A 83 9.232 2.794 -5.273 1.00 0.00 C ATOM 1340 NE1 TRP A 83 10.249 3.701 -3.531 1.00 0.00 N ATOM 1341 CE2 TRP A 83 10.350 3.579 -4.904 1.00 0.00 C ATOM 1342 CE3 TRP A 83 9.054 2.489 -6.635 1.00 0.00 C ATOM 1343 CZ2 TRP A 83 11.257 4.048 -5.855 1.00 0.00 C ATOM 1344 CZ3 TRP A 83 9.966 2.960 -7.594 1.00 0.00 C ATOM 1345 CH2 TRP A 83 11.065 3.737 -7.205 1.00 0.00 C ATOM 0 H TRP A 83 6.825 3.462 -2.259 1.00 0.00 H new ATOM 0 HA TRP A 83 6.094 3.186 -4.951 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.221 1.128 -2.993 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.189 0.907 -4.731 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.845 2.987 -2.000 1.00 0.00 H new ATOM 0 HE1 TRP A 83 10.911 4.217 -2.952 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.211 1.889 -6.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 12.102 4.648 -5.550 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 9.819 2.722 -8.637 1.00 0.00 H new ATOM 0 HH2 TRP A 83 11.763 4.095 -7.947 1.00 0.00 H new ATOM 1356 N PHE A 84 3.885 2.003 -5.028 1.00 0.00 N ATOM 1357 CA PHE A 84 2.613 1.227 -5.106 1.00 0.00 C ATOM 1358 C PHE A 84 2.830 -0.062 -5.895 1.00 0.00 C ATOM 1359 O PHE A 84 2.358 -0.197 -6.999 1.00 0.00 O ATOM 1360 CB PHE A 84 1.543 2.058 -5.819 1.00 0.00 C ATOM 1361 CG PHE A 84 0.951 3.059 -4.853 1.00 0.00 C ATOM 1362 CD1 PHE A 84 1.559 4.306 -4.668 1.00 0.00 C ATOM 1363 CD2 PHE A 84 -0.209 2.734 -4.138 1.00 0.00 C ATOM 1364 CE1 PHE A 84 1.007 5.229 -3.770 1.00 0.00 C ATOM 1365 CE2 PHE A 84 -0.760 3.657 -3.241 1.00 0.00 C ATOM 1366 CZ PHE A 84 -0.153 4.904 -3.057 1.00 0.00 C ATOM 0 H PHE A 84 4.012 2.704 -5.758 1.00 0.00 H new ATOM 0 HA PHE A 84 2.291 0.989 -4.092 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.980 2.576 -6.673 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.761 1.406 -6.208 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.454 4.557 -5.218 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.678 1.771 -4.279 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.476 6.191 -3.628 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.655 3.406 -2.690 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.579 5.616 -2.365 1.00 0.00 H new ATOM 1376 N TRP A 85 3.502 -1.028 -5.333 1.00 0.00 N ATOM 1377 CA TRP A 85 3.692 -2.310 -6.072 1.00 0.00 C ATOM 1378 C TRP A 85 2.354 -3.048 -6.106 1.00 0.00 C ATOM 1379 O TRP A 85 2.061 -3.872 -5.262 1.00 0.00 O ATOM 1380 CB TRP A 85 4.737 -3.173 -5.359 1.00 0.00 C ATOM 1381 CG TRP A 85 6.076 -2.962 -5.993 1.00 0.00 C ATOM 1382 CD1 TRP A 85 6.978 -2.031 -5.609 1.00 0.00 C ATOM 1383 CD2 TRP A 85 6.677 -3.676 -7.113 1.00 0.00 C ATOM 1384 NE1 TRP A 85 8.094 -2.128 -6.420 1.00 0.00 N ATOM 1385 CE2 TRP A 85 7.957 -3.128 -7.363 1.00 0.00 C ATOM 1386 CE3 TRP A 85 6.239 -4.737 -7.929 1.00 0.00 C ATOM 1387 CZ2 TRP A 85 8.775 -3.614 -8.384 1.00 0.00 C ATOM 1388 CZ3 TRP A 85 7.061 -5.226 -8.958 1.00 0.00 C ATOM 1389 CH2 TRP A 85 8.326 -4.666 -9.185 1.00 0.00 C ATOM 0 H TRP A 85 3.924 -0.988 -4.405 1.00 0.00 H new ATOM 0 HA TRP A 85 4.038 -2.108 -7.086 1.00 0.00 H new ATOM 0 HB2 TRP A 85 4.779 -2.913 -4.301 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.457 -4.225 -5.418 1.00 0.00 H new ATOM 0 HD1 TRP A 85 6.848 -1.326 -4.801 1.00 0.00 H new ATOM 0 HE1 TRP A 85 8.918 -1.533 -6.332 1.00 0.00 H new ATOM 0 HE3 TRP A 85 5.267 -5.177 -7.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 9.749 -3.179 -8.553 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 6.716 -6.039 -9.579 1.00 0.00 H new ATOM 0 HH2 TRP A 85 8.952 -5.048 -9.978 1.00 0.00 H new ATOM 1400 N LEU A 86 1.519 -2.753 -7.057 1.00 0.00 N ATOM 1401 CA LEU A 86 0.202 -3.437 -7.096 1.00 0.00 C ATOM 1402 C LEU A 86 0.391 -4.917 -7.419 1.00 0.00 C ATOM 1403 O LEU A 86 1.001 -5.286 -8.403 1.00 0.00 O ATOM 1404 CB LEU A 86 -0.700 -2.780 -8.141 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.562 -1.713 -7.459 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -2.289 -2.327 -6.256 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -0.660 -0.565 -6.991 1.00 0.00 C ATOM 0 H LEU A 86 1.688 -2.076 -7.801 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.272 -3.348 -6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.096 -2.329 -8.929 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.334 -3.529 -8.615 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.302 -1.333 -8.163 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.901 -1.565 -5.773 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.926 -3.144 -6.594 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.557 -2.709 -5.544 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.266 0.199 -6.504 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.078 -0.947 -6.285 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.149 -0.130 -7.850 1.00 0.00 H new ATOM 1419 N VAL A 87 -0.139 -5.762 -6.585 1.00 0.00 N ATOM 1420 CA VAL A 87 -0.021 -7.229 -6.807 1.00 0.00 C ATOM 1421 C VAL A 87 -1.426 -7.756 -7.126 1.00 0.00 C ATOM 1422 O VAL A 87 -2.396 -7.037 -6.990 1.00 0.00 O ATOM 1423 CB VAL A 87 0.577 -7.906 -5.546 1.00 0.00 C ATOM 1424 CG1 VAL A 87 1.276 -6.870 -4.654 1.00 0.00 C ATOM 1425 CG2 VAL A 87 -0.517 -8.618 -4.738 1.00 0.00 C ATOM 0 H VAL A 87 -0.656 -5.496 -5.747 1.00 0.00 H new ATOM 0 HA VAL A 87 0.649 -7.455 -7.636 1.00 0.00 H new ATOM 0 HB VAL A 87 1.308 -8.642 -5.881 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.688 -7.366 -3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.081 -6.393 -5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.555 -6.115 -4.340 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.074 -9.085 -3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.268 -7.893 -4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -0.987 -9.382 -5.357 1.00 0.00 H new ATOM 1435 N GLU A 88 -1.567 -8.981 -7.558 1.00 0.00 N ATOM 1436 CA GLU A 88 -2.952 -9.459 -7.878 1.00 0.00 C ATOM 1437 C GLU A 88 -3.054 -10.990 -7.908 1.00 0.00 C ATOM 1438 O GLU A 88 -3.875 -11.534 -8.618 1.00 0.00 O ATOM 1439 CB GLU A 88 -3.367 -8.914 -9.248 1.00 0.00 C ATOM 1440 CG GLU A 88 -3.752 -7.438 -9.123 1.00 0.00 C ATOM 1441 CD GLU A 88 -4.623 -7.030 -10.314 1.00 0.00 C ATOM 1442 OE1 GLU A 88 -5.136 -7.915 -10.979 1.00 0.00 O ATOM 1443 OE2 GLU A 88 -4.761 -5.839 -10.541 1.00 0.00 O ATOM 0 H GLU A 88 -0.814 -9.654 -7.701 1.00 0.00 H new ATOM 0 HA GLU A 88 -3.611 -9.096 -7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.548 -9.027 -9.958 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.208 -9.487 -9.638 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.292 -7.271 -8.191 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.855 -6.820 -9.087 1.00 0.00 H new ATOM 1450 N ARG A 89 -2.262 -11.700 -7.154 1.00 0.00 N ATOM 1451 CA ARG A 89 -2.388 -13.188 -7.184 1.00 0.00 C ATOM 1452 C ARG A 89 -1.744 -13.792 -5.933 1.00 0.00 C ATOM 1453 O ARG A 89 -1.247 -14.900 -5.940 1.00 0.00 O ATOM 1454 CB ARG A 89 -1.754 -13.723 -8.490 1.00 0.00 C ATOM 1455 CG ARG A 89 -0.383 -14.381 -8.247 1.00 0.00 C ATOM 1456 CD ARG A 89 -0.531 -15.911 -8.179 1.00 0.00 C ATOM 1457 NE ARG A 89 -1.947 -16.301 -7.922 1.00 0.00 N ATOM 1458 CZ ARG A 89 -2.353 -17.504 -8.225 1.00 0.00 C ATOM 1459 NH1 ARG A 89 -1.510 -18.499 -8.203 1.00 0.00 N ATOM 1460 NH2 ARG A 89 -3.598 -17.710 -8.553 1.00 0.00 N ATOM 0 H ARG A 89 -1.547 -11.327 -6.530 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.438 -13.482 -7.176 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.427 -14.448 -8.947 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.640 -12.903 -9.199 1.00 0.00 H new ATOM 0 HG2 ARG A 89 0.305 -14.110 -9.048 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.047 -14.009 -7.317 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.192 -16.354 -9.115 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.108 -16.307 -7.389 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.596 -15.630 -7.511 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -0.536 -18.336 -7.949 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.825 -19.440 -8.439 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -4.256 -16.931 -8.573 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.914 -18.650 -8.790 1.00 0.00 H new ATOM 1474 N TRP A 90 -1.760 -13.076 -4.854 1.00 0.00 N ATOM 1475 CA TRP A 90 -1.145 -13.614 -3.613 1.00 0.00 C ATOM 1476 C TRP A 90 -1.646 -15.038 -3.356 1.00 0.00 C ATOM 1477 O TRP A 90 -2.758 -15.389 -3.700 1.00 0.00 O ATOM 1478 CB TRP A 90 -1.474 -12.710 -2.425 1.00 0.00 C ATOM 1479 CG TRP A 90 -2.913 -12.856 -2.014 1.00 0.00 C ATOM 1480 CD1 TRP A 90 -3.483 -13.998 -1.563 1.00 0.00 C ATOM 1481 CD2 TRP A 90 -3.966 -11.840 -1.984 1.00 0.00 C ATOM 1482 NE1 TRP A 90 -4.812 -13.754 -1.277 1.00 0.00 N ATOM 1483 CE2 TRP A 90 -5.158 -12.444 -1.518 1.00 0.00 C ATOM 1484 CE3 TRP A 90 -4.009 -10.472 -2.319 1.00 0.00 C ATOM 1485 CZ2 TRP A 90 -6.345 -11.722 -1.384 1.00 0.00 C ATOM 1486 CZ3 TRP A 90 -5.207 -9.742 -2.183 1.00 0.00 C ATOM 1487 CH2 TRP A 90 -6.369 -10.368 -1.717 1.00 0.00 C ATOM 0 H TRP A 90 -2.169 -12.145 -4.773 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.062 -13.641 -3.737 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -0.826 -12.959 -1.585 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -1.271 -11.672 -2.687 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -2.980 -14.946 -1.446 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -5.460 -14.461 -0.929 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -3.119 -9.980 -2.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -7.239 -12.209 -1.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -5.229 -8.693 -2.440 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -7.284 -9.803 -1.615 1.00 0.00 H new ATOM 1498 N GLU A 91 -0.828 -15.861 -2.756 1.00 0.00 N ATOM 1499 CA GLU A 91 -1.244 -17.269 -2.476 1.00 0.00 C ATOM 1500 C GLU A 91 -2.103 -17.312 -1.207 1.00 0.00 C ATOM 1501 O GLU A 91 -1.754 -16.745 -0.194 1.00 0.00 O ATOM 1502 CB GLU A 91 0.017 -18.141 -2.298 1.00 0.00 C ATOM 1503 CG GLU A 91 -0.209 -19.236 -1.244 1.00 0.00 C ATOM 1504 CD GLU A 91 0.697 -20.431 -1.552 1.00 0.00 C ATOM 1505 OE1 GLU A 91 1.458 -20.343 -2.502 1.00 0.00 O ATOM 1506 OE2 GLU A 91 0.614 -21.413 -0.833 1.00 0.00 O ATOM 0 H GLU A 91 0.113 -15.619 -2.446 1.00 0.00 H new ATOM 0 HA GLU A 91 -1.833 -17.653 -3.308 1.00 0.00 H new ATOM 0 HB2 GLU A 91 0.283 -18.599 -3.251 1.00 0.00 H new ATOM 0 HB3 GLU A 91 0.857 -17.514 -2.000 1.00 0.00 H new ATOM 0 HG2 GLU A 91 0.007 -18.848 -0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.254 -19.547 -1.245 1.00 0.00 H new ATOM 1513 N GLY A 92 -3.212 -18.003 -1.259 1.00 0.00 N ATOM 1514 CA GLY A 92 -4.097 -18.118 -0.061 1.00 0.00 C ATOM 1515 C GLY A 92 -4.293 -16.751 0.600 1.00 0.00 C ATOM 1516 O GLY A 92 -5.246 -16.053 0.328 1.00 0.00 O ATOM 0 H GLY A 92 -3.545 -18.497 -2.087 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.064 -18.527 -0.355 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -3.660 -18.814 0.655 1.00 0.00 H new ATOM 1520 N GLU A 93 -3.408 -16.376 1.482 1.00 0.00 N ATOM 1521 CA GLU A 93 -3.547 -15.064 2.177 1.00 0.00 C ATOM 1522 C GLU A 93 -2.617 -14.027 1.534 1.00 0.00 C ATOM 1523 O GLU A 93 -1.688 -14.380 0.838 1.00 0.00 O ATOM 1524 CB GLU A 93 -3.168 -15.247 3.647 1.00 0.00 C ATOM 1525 CG GLU A 93 -1.666 -15.529 3.753 1.00 0.00 C ATOM 1526 CD GLU A 93 -1.339 -16.059 5.151 1.00 0.00 C ATOM 1527 OE1 GLU A 93 -2.173 -16.753 5.711 1.00 0.00 O ATOM 1528 OE2 GLU A 93 -0.261 -15.764 5.638 1.00 0.00 O ATOM 0 H GLU A 93 -2.591 -16.924 1.753 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.576 -14.713 2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.422 -14.351 4.214 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.735 -16.070 4.081 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.369 -16.257 2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.100 -14.618 3.557 1.00 0.00 H new ATOM 1535 N PRO A 94 -2.899 -12.773 1.791 1.00 0.00 N ATOM 1536 CA PRO A 94 -2.097 -11.648 1.264 1.00 0.00 C ATOM 1537 C PRO A 94 -0.822 -11.478 2.101 1.00 0.00 C ATOM 1538 O PRO A 94 -0.440 -12.356 2.849 1.00 0.00 O ATOM 1539 CB PRO A 94 -2.997 -10.426 1.464 1.00 0.00 C ATOM 1540 CG PRO A 94 -4.106 -10.837 2.465 1.00 0.00 C ATOM 1541 CD PRO A 94 -4.057 -12.366 2.607 1.00 0.00 C ATOM 0 HA PRO A 94 -1.796 -11.797 0.227 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -2.423 -9.584 1.850 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.432 -10.108 0.516 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -3.948 -10.357 3.431 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -5.084 -10.516 2.106 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -3.934 -12.665 3.648 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -4.977 -12.828 2.249 1.00 0.00 H new ATOM 1549 N TRP A 95 -0.179 -10.340 2.005 1.00 0.00 N ATOM 1550 CA TRP A 95 1.050 -10.106 2.820 1.00 0.00 C ATOM 1551 C TRP A 95 1.664 -8.736 2.508 1.00 0.00 C ATOM 1552 O TRP A 95 2.849 -8.538 2.674 1.00 0.00 O ATOM 1553 CB TRP A 95 2.088 -11.195 2.531 1.00 0.00 C ATOM 1554 CG TRP A 95 2.631 -11.036 1.148 1.00 0.00 C ATOM 1555 CD1 TRP A 95 1.992 -10.428 0.125 1.00 0.00 C ATOM 1556 CD2 TRP A 95 3.916 -11.485 0.621 1.00 0.00 C ATOM 1557 NE1 TRP A 95 2.794 -10.487 -1.000 1.00 0.00 N ATOM 1558 CE2 TRP A 95 3.992 -11.129 -0.744 1.00 0.00 C ATOM 1559 CE3 TRP A 95 5.007 -12.167 1.190 1.00 0.00 C ATOM 1560 CZ2 TRP A 95 5.112 -11.438 -1.520 1.00 0.00 C ATOM 1561 CZ3 TRP A 95 6.135 -12.479 0.414 1.00 0.00 C ATOM 1562 CH2 TRP A 95 6.188 -12.117 -0.939 1.00 0.00 C ATOM 0 H TRP A 95 -0.452 -9.566 1.399 1.00 0.00 H new ATOM 0 HA TRP A 95 0.764 -10.135 3.871 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.899 -11.136 3.257 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.633 -12.179 2.640 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.015 -9.971 0.177 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.534 -10.103 -1.909 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.977 -12.453 2.231 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.147 -11.154 -2.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.967 -13.001 0.863 1.00 0.00 H new ATOM 0 HH2 TRP A 95 7.057 -12.362 -1.531 1.00 0.00 H new ATOM 1573 N GLY A 96 0.882 -7.786 2.069 1.00 0.00 N ATOM 1574 CA GLY A 96 1.459 -6.444 1.754 1.00 0.00 C ATOM 1575 C GLY A 96 1.331 -5.516 2.963 1.00 0.00 C ATOM 1576 O GLY A 96 2.272 -4.858 3.360 1.00 0.00 O ATOM 0 H GLY A 96 -0.122 -7.878 1.916 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.508 -6.547 1.475 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.943 -6.010 0.897 1.00 0.00 H new ATOM 1580 N LYS A 97 0.168 -5.449 3.541 1.00 0.00 N ATOM 1581 CA LYS A 97 -0.047 -4.557 4.716 1.00 0.00 C ATOM 1582 C LYS A 97 1.122 -4.632 5.686 1.00 0.00 C ATOM 1583 O LYS A 97 1.736 -5.663 5.874 1.00 0.00 O ATOM 1584 CB LYS A 97 -1.316 -4.986 5.434 1.00 0.00 C ATOM 1585 CG LYS A 97 -1.390 -6.507 5.439 1.00 0.00 C ATOM 1586 CD LYS A 97 -1.763 -6.974 6.840 1.00 0.00 C ATOM 1587 CE LYS A 97 -1.484 -8.471 6.976 1.00 0.00 C ATOM 1588 NZ LYS A 97 -2.656 -9.135 7.612 1.00 0.00 N ATOM 0 H LYS A 97 -0.653 -5.979 3.248 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.133 -3.530 4.360 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.318 -4.605 6.455 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.191 -4.568 4.936 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.130 -6.852 4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.432 -6.933 5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.191 -6.419 7.583 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.817 -6.772 7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.292 -8.907 5.996 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.589 -8.633 7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -2.408 -10.114 7.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.924 -8.617 8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.456 -9.139 6.947 1.00 0.00 H new ATOM 1602 N GLU A 98 1.416 -3.529 6.314 1.00 0.00 N ATOM 1603 CA GLU A 98 2.523 -3.496 7.296 1.00 0.00 C ATOM 1604 C GLU A 98 2.019 -4.052 8.628 1.00 0.00 C ATOM 1605 O GLU A 98 1.939 -5.249 8.824 1.00 0.00 O ATOM 1606 CB GLU A 98 2.989 -2.048 7.465 1.00 0.00 C ATOM 1607 CG GLU A 98 3.976 -1.936 8.638 1.00 0.00 C ATOM 1608 CD GLU A 98 4.858 -3.186 8.708 1.00 0.00 C ATOM 1609 OE1 GLU A 98 5.422 -3.544 7.691 1.00 0.00 O ATOM 1610 OE2 GLU A 98 4.950 -3.762 9.780 1.00 0.00 O ATOM 0 H GLU A 98 0.929 -2.642 6.184 1.00 0.00 H new ATOM 0 HA GLU A 98 3.360 -4.103 6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.465 -1.703 6.547 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.130 -1.401 7.641 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.598 -1.049 8.516 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.429 -1.815 9.573 1.00 0.00 H new ATOM 1617 N GLY A 99 1.639 -3.191 9.529 1.00 0.00 N ATOM 1618 CA GLY A 99 1.095 -3.651 10.824 1.00 0.00 C ATOM 1619 C GLY A 99 -0.404 -3.353 10.825 1.00 0.00 C ATOM 1620 O GLY A 99 -1.098 -3.559 11.801 1.00 0.00 O ATOM 0 H GLY A 99 1.685 -2.178 9.417 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.274 -4.718 10.958 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.588 -3.139 11.650 1.00 0.00 H new ATOM 1624 N GLN A 100 -0.899 -2.858 9.717 1.00 0.00 N ATOM 1625 CA GLN A 100 -2.339 -2.526 9.601 1.00 0.00 C ATOM 1626 C GLN A 100 -3.147 -3.825 9.456 1.00 0.00 C ATOM 1627 O GLN A 100 -2.578 -4.894 9.359 1.00 0.00 O ATOM 1628 CB GLN A 100 -2.516 -1.610 8.375 1.00 0.00 C ATOM 1629 CG GLN A 100 -2.989 -2.406 7.153 1.00 0.00 C ATOM 1630 CD GLN A 100 -3.248 -1.460 5.975 1.00 0.00 C ATOM 1631 OE1 GLN A 100 -3.376 -0.178 6.189 1.00 0.00 O flip ATOM 1632 NE2 GLN A 100 -3.332 -1.895 4.845 1.00 0.00 N flip ATOM 0 H GLN A 100 -0.350 -2.670 8.878 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.701 -2.007 10.489 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -3.238 -0.827 8.604 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.571 -1.116 8.147 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -2.237 -3.145 6.877 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.899 -2.954 7.396 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.232 -2.896 4.675 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.502 -1.260 4.065 1.00 0.00 H new ATOM 1641 N PRO A 101 -4.449 -3.695 9.448 1.00 0.00 N ATOM 1642 CA PRO A 101 -5.345 -4.852 9.319 1.00 0.00 C ATOM 1643 C PRO A 101 -5.239 -5.427 7.908 1.00 0.00 C ATOM 1644 O PRO A 101 -5.051 -6.613 7.720 1.00 0.00 O ATOM 1645 CB PRO A 101 -6.752 -4.288 9.557 1.00 0.00 C ATOM 1646 CG PRO A 101 -6.622 -2.749 9.689 1.00 0.00 C ATOM 1647 CD PRO A 101 -5.130 -2.395 9.567 1.00 0.00 C ATOM 0 HA PRO A 101 -5.101 -5.652 10.018 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.414 -4.547 8.730 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.188 -4.715 10.460 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.199 -2.248 8.912 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.018 -2.412 10.647 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -4.941 -1.767 8.696 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -4.781 -1.843 10.440 1.00 0.00 H new ATOM 1655 N GLY A 102 -5.369 -4.592 6.914 1.00 0.00 N ATOM 1656 CA GLY A 102 -5.288 -5.086 5.517 1.00 0.00 C ATOM 1657 C GLY A 102 -6.421 -6.078 5.301 1.00 0.00 C ATOM 1658 O GLY A 102 -6.463 -7.121 5.920 1.00 0.00 O ATOM 0 H GLY A 102 -5.528 -3.589 7.012 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.369 -4.257 4.815 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.325 -5.563 5.337 1.00 0.00 H new ATOM 1662 N GLU A 103 -7.355 -5.761 4.456 1.00 0.00 N ATOM 1663 CA GLU A 103 -8.485 -6.709 4.249 1.00 0.00 C ATOM 1664 C GLU A 103 -9.002 -6.617 2.817 1.00 0.00 C ATOM 1665 O GLU A 103 -9.194 -5.541 2.288 1.00 0.00 O ATOM 1666 CB GLU A 103 -9.619 -6.355 5.215 1.00 0.00 C ATOM 1667 CG GLU A 103 -9.910 -4.854 5.130 1.00 0.00 C ATOM 1668 CD GLU A 103 -10.714 -4.418 6.355 1.00 0.00 C ATOM 1669 OE1 GLU A 103 -11.884 -4.758 6.424 1.00 0.00 O ATOM 1670 OE2 GLU A 103 -10.147 -3.750 7.205 1.00 0.00 O ATOM 0 H GLU A 103 -7.389 -4.902 3.906 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.134 -7.724 4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.514 -6.925 4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.341 -6.626 6.234 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.976 -4.295 5.077 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.466 -4.632 4.219 1.00 0.00 H new ATOM 1677 N TRP A 104 -9.254 -7.736 2.189 1.00 0.00 N ATOM 1678 CA TRP A 104 -9.788 -7.685 0.803 1.00 0.00 C ATOM 1679 C TRP A 104 -10.946 -6.688 0.800 1.00 0.00 C ATOM 1680 O TRP A 104 -11.830 -6.753 1.632 1.00 0.00 O ATOM 1681 CB TRP A 104 -10.292 -9.070 0.380 1.00 0.00 C ATOM 1682 CG TRP A 104 -9.297 -10.129 0.767 1.00 0.00 C ATOM 1683 CD1 TRP A 104 -7.947 -10.020 0.664 1.00 0.00 C ATOM 1684 CD2 TRP A 104 -9.554 -11.458 1.313 1.00 0.00 C ATOM 1685 NE1 TRP A 104 -7.365 -11.199 1.108 1.00 0.00 N ATOM 1686 CE2 TRP A 104 -8.315 -12.112 1.521 1.00 0.00 C ATOM 1687 CE3 TRP A 104 -10.732 -12.153 1.645 1.00 0.00 C ATOM 1688 CZ2 TRP A 104 -8.248 -13.406 2.038 1.00 0.00 C ATOM 1689 CZ3 TRP A 104 -10.668 -13.456 2.165 1.00 0.00 C ATOM 1690 CH2 TRP A 104 -9.429 -14.081 2.362 1.00 0.00 C ATOM 0 H TRP A 104 -9.114 -8.671 2.573 1.00 0.00 H new ATOM 0 HA TRP A 104 -9.010 -7.380 0.103 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -11.253 -9.274 0.852 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -10.455 -9.091 -0.697 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -7.413 -9.156 0.296 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -6.360 -11.370 1.127 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -11.692 -11.681 1.499 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -7.291 -13.883 2.187 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -11.579 -13.980 2.415 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -9.386 -15.083 2.764 1.00 0.00 H new ATOM 1701 N MET A 105 -10.948 -5.752 -0.104 1.00 0.00 N ATOM 1702 CA MET A 105 -12.046 -4.749 -0.113 1.00 0.00 C ATOM 1703 C MET A 105 -12.797 -4.811 -1.433 1.00 0.00 C ATOM 1704 O MET A 105 -12.238 -4.580 -2.478 1.00 0.00 O ATOM 1705 CB MET A 105 -11.465 -3.344 0.066 1.00 0.00 C ATOM 1706 CG MET A 105 -12.501 -2.451 0.750 1.00 0.00 C ATOM 1707 SD MET A 105 -13.907 -2.195 -0.362 1.00 0.00 S ATOM 1708 CE MET A 105 -15.157 -3.016 0.657 1.00 0.00 C ATOM 0 H MET A 105 -10.243 -5.638 -0.832 1.00 0.00 H new ATOM 0 HA MET A 105 -12.731 -4.971 0.705 1.00 0.00 H new ATOM 0 HB2 MET A 105 -10.555 -3.388 0.664 1.00 0.00 H new ATOM 0 HB3 MET A 105 -11.190 -2.926 -0.902 1.00 0.00 H new ATOM 0 HG2 MET A 105 -12.838 -2.912 1.679 1.00 0.00 H new ATOM 0 HG3 MET A 105 -12.053 -1.493 1.014 1.00 0.00 H new ATOM 0 HE1 MET A 105 -16.016 -3.277 0.039 1.00 0.00 H new ATOM 0 HE2 MET A 105 -14.734 -3.922 1.092 1.00 0.00 H new ATOM 0 HE3 MET A 105 -15.475 -2.344 1.455 1.00 0.00 H new ATOM 1718 N SER A 106 -14.065 -5.108 -1.386 1.00 0.00 N ATOM 1719 CA SER A 106 -14.861 -5.168 -2.639 1.00 0.00 C ATOM 1720 C SER A 106 -15.226 -3.742 -3.061 1.00 0.00 C ATOM 1721 O SER A 106 -16.375 -3.344 -3.021 1.00 0.00 O ATOM 1722 CB SER A 106 -16.140 -5.972 -2.392 1.00 0.00 C ATOM 1723 OG SER A 106 -16.278 -6.231 -1.001 1.00 0.00 O ATOM 0 H SER A 106 -14.584 -5.312 -0.532 1.00 0.00 H new ATOM 0 HA SER A 106 -14.280 -5.650 -3.426 1.00 0.00 H new ATOM 0 HB2 SER A 106 -17.006 -5.419 -2.757 1.00 0.00 H new ATOM 0 HB3 SER A 106 -16.105 -6.910 -2.945 1.00 0.00 H new ATOM 0 HG SER A 106 -17.098 -6.744 -0.844 1.00 0.00 H new ATOM 1729 N LEU A 107 -14.255 -2.967 -3.460 1.00 0.00 N ATOM 1730 CA LEU A 107 -14.533 -1.565 -3.882 1.00 0.00 C ATOM 1731 C LEU A 107 -15.021 -1.564 -5.322 1.00 0.00 C ATOM 1732 O LEU A 107 -16.059 -1.020 -5.628 1.00 0.00 O ATOM 1733 CB LEU A 107 -13.253 -0.729 -3.779 1.00 0.00 C ATOM 1734 CG LEU A 107 -13.554 0.734 -4.116 1.00 0.00 C ATOM 1735 CD1 LEU A 107 -12.419 1.610 -3.587 1.00 0.00 C ATOM 1736 CD2 LEU A 107 -13.660 0.916 -5.636 1.00 0.00 C ATOM 0 H LEU A 107 -13.275 -3.246 -3.512 1.00 0.00 H new ATOM 0 HA LEU A 107 -15.296 -1.136 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -12.842 -0.802 -2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -12.498 -1.120 -4.461 1.00 0.00 H new ATOM 0 HG LEU A 107 -14.499 1.020 -3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -12.625 2.654 -3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -12.341 1.491 -2.506 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.481 1.311 -4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -13.874 1.960 -5.863 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -12.718 0.629 -6.103 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -14.463 0.288 -6.022 1.00 0.00 H new ATOM 1748 N VAL A 108 -14.254 -2.156 -6.201 1.00 0.00 N ATOM 1749 CA VAL A 108 -14.617 -2.205 -7.648 1.00 0.00 C ATOM 1750 C VAL A 108 -14.116 -0.940 -8.341 1.00 0.00 C ATOM 1751 O VAL A 108 -14.597 0.146 -8.086 1.00 0.00 O ATOM 1752 CB VAL A 108 -16.130 -2.314 -7.831 1.00 0.00 C ATOM 1753 CG1 VAL A 108 -16.432 -2.427 -9.318 1.00 0.00 C ATOM 1754 CG2 VAL A 108 -16.650 -3.556 -7.100 1.00 0.00 C ATOM 0 H VAL A 108 -13.374 -2.617 -5.971 1.00 0.00 H new ATOM 0 HA VAL A 108 -14.150 -3.086 -8.089 1.00 0.00 H new ATOM 0 HB VAL A 108 -16.620 -1.432 -7.419 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -17.509 -2.506 -9.466 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -16.059 -1.542 -9.833 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -15.945 -3.314 -9.722 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -17.729 -3.631 -7.232 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -16.172 -4.446 -7.509 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -16.419 -3.476 -6.038 1.00 0.00 H new ATOM 1764 N GLY A 109 -13.148 -1.077 -9.212 1.00 0.00 N ATOM 1765 CA GLY A 109 -12.601 0.115 -9.924 1.00 0.00 C ATOM 1766 C GLY A 109 -12.498 1.276 -8.938 1.00 0.00 C ATOM 1767 O GLY A 109 -13.381 2.105 -8.845 1.00 0.00 O ATOM 0 H GLY A 109 -12.713 -1.966 -9.460 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -11.620 -0.113 -10.342 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.248 0.385 -10.758 1.00 0.00 H new ATOM 1771 N LEU A 110 -11.432 1.324 -8.191 1.00 0.00 N ATOM 1772 CA LEU A 110 -11.258 2.411 -7.189 1.00 0.00 C ATOM 1773 C LEU A 110 -11.737 3.752 -7.759 1.00 0.00 C ATOM 1774 O LEU A 110 -11.941 3.899 -8.948 1.00 0.00 O ATOM 1775 CB LEU A 110 -9.791 2.522 -6.824 1.00 0.00 C ATOM 1776 CG LEU A 110 -9.596 2.111 -5.373 1.00 0.00 C ATOM 1777 CD1 LEU A 110 -8.935 0.734 -5.308 1.00 0.00 C ATOM 1778 CD2 LEU A 110 -8.705 3.145 -4.694 1.00 0.00 C ATOM 0 H LEU A 110 -10.667 0.651 -8.232 1.00 0.00 H new ATOM 0 HA LEU A 110 -11.850 2.172 -6.305 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.194 1.885 -7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.445 3.545 -6.973 1.00 0.00 H new ATOM 0 HG LEU A 110 -10.560 2.059 -4.867 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.798 0.445 -4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.570 0.002 -5.807 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -7.965 0.772 -5.805 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -8.554 2.866 -3.651 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.742 3.185 -5.202 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -9.182 4.124 -4.743 1.00 0.00 H new ATOM 1790 N ASN A 111 -11.929 4.734 -6.912 1.00 0.00 N ATOM 1791 CA ASN A 111 -12.414 6.058 -7.404 1.00 0.00 C ATOM 1792 C ASN A 111 -11.782 7.210 -6.613 1.00 0.00 C ATOM 1793 O ASN A 111 -12.108 8.359 -6.827 1.00 0.00 O ATOM 1794 CB ASN A 111 -13.928 6.115 -7.211 1.00 0.00 C ATOM 1795 CG ASN A 111 -14.550 6.975 -8.311 1.00 0.00 C ATOM 1796 OD1 ASN A 111 -13.906 7.281 -9.295 1.00 0.00 O ATOM 1797 ND2 ASN A 111 -15.783 7.383 -8.188 1.00 0.00 N ATOM 0 H ASN A 111 -11.771 4.675 -5.906 1.00 0.00 H new ATOM 0 HA ASN A 111 -12.139 6.164 -8.453 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -14.347 5.109 -7.240 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -14.165 6.531 -6.232 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -16.205 7.958 -8.917 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -16.325 7.127 -7.363 1.00 0.00 H new ATOM 1804 N ALA A 112 -10.915 6.921 -5.679 1.00 0.00 N ATOM 1805 CA ALA A 112 -10.308 8.011 -4.857 1.00 0.00 C ATOM 1806 C ALA A 112 -11.375 8.595 -3.923 1.00 0.00 C ATOM 1807 O ALA A 112 -11.098 9.451 -3.108 1.00 0.00 O ATOM 1808 CB ALA A 112 -9.779 9.120 -5.762 1.00 0.00 C ATOM 0 H ALA A 112 -10.600 5.978 -5.449 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.484 7.599 -4.274 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -9.339 9.909 -5.152 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.021 8.713 -6.431 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -10.599 9.531 -6.351 1.00 0.00 H new ATOM 1814 N ASP A 113 -12.591 8.132 -4.031 1.00 0.00 N ATOM 1815 CA ASP A 113 -13.674 8.642 -3.156 1.00 0.00 C ATOM 1816 C ASP A 113 -13.574 7.934 -1.813 1.00 0.00 C ATOM 1817 O ASP A 113 -14.017 8.425 -0.794 1.00 0.00 O ATOM 1818 CB ASP A 113 -15.018 8.318 -3.808 1.00 0.00 C ATOM 1819 CG ASP A 113 -15.907 9.562 -3.799 1.00 0.00 C ATOM 1820 OD1 ASP A 113 -15.726 10.391 -2.922 1.00 0.00 O ATOM 1821 OD2 ASP A 113 -16.756 9.666 -4.670 1.00 0.00 O ATOM 0 H ASP A 113 -12.879 7.415 -4.697 1.00 0.00 H new ATOM 0 HA ASP A 113 -13.586 9.719 -3.015 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -14.864 7.977 -4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -15.507 7.505 -3.271 1.00 0.00 H new ATOM 1826 N ASP A 114 -12.995 6.771 -1.821 1.00 0.00 N ATOM 1827 CA ASP A 114 -12.851 5.990 -0.569 1.00 0.00 C ATOM 1828 C ASP A 114 -11.416 6.121 -0.052 1.00 0.00 C ATOM 1829 O ASP A 114 -11.113 5.767 1.071 1.00 0.00 O ATOM 1830 CB ASP A 114 -13.157 4.528 -0.882 1.00 0.00 C ATOM 1831 CG ASP A 114 -14.641 4.249 -0.630 1.00 0.00 C ATOM 1832 OD1 ASP A 114 -15.126 4.637 0.419 1.00 0.00 O ATOM 1833 OD2 ASP A 114 -15.266 3.654 -1.492 1.00 0.00 O ATOM 0 H ASP A 114 -12.611 6.323 -2.653 1.00 0.00 H new ATOM 0 HA ASP A 114 -13.536 6.360 0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -12.906 4.307 -1.920 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -12.543 3.876 -0.260 1.00 0.00 H new ATOM 1838 N PHE A 115 -10.529 6.625 -0.866 1.00 0.00 N ATOM 1839 CA PHE A 115 -9.112 6.779 -0.427 1.00 0.00 C ATOM 1840 C PHE A 115 -8.872 8.195 0.107 1.00 0.00 C ATOM 1841 O PHE A 115 -9.507 9.137 -0.326 1.00 0.00 O ATOM 1842 CB PHE A 115 -8.183 6.559 -1.618 1.00 0.00 C ATOM 1843 CG PHE A 115 -7.708 5.127 -1.652 1.00 0.00 C ATOM 1844 CD1 PHE A 115 -8.627 4.087 -1.829 1.00 0.00 C ATOM 1845 CD2 PHE A 115 -6.344 4.840 -1.520 1.00 0.00 C ATOM 1846 CE1 PHE A 115 -8.183 2.760 -1.872 1.00 0.00 C ATOM 1847 CE2 PHE A 115 -5.900 3.514 -1.563 1.00 0.00 C ATOM 1848 CZ PHE A 115 -6.819 2.474 -1.740 1.00 0.00 C ATOM 0 H PHE A 115 -10.724 6.937 -1.817 1.00 0.00 H new ATOM 0 HA PHE A 115 -8.912 6.048 0.357 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -8.705 6.799 -2.544 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -7.328 7.232 -1.551 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -9.679 4.308 -1.932 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -5.634 5.643 -1.385 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -8.893 1.957 -2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.848 3.293 -1.460 1.00 0.00 H new ATOM 0 HZ PHE A 115 -6.476 1.450 -1.775 1.00 0.00 H new ATOM 1858 N PRO A 116 -7.940 8.301 1.022 1.00 0.00 N ATOM 1859 CA PRO A 116 -7.562 9.593 1.621 1.00 0.00 C ATOM 1860 C PRO A 116 -6.907 10.485 0.554 1.00 0.00 C ATOM 1861 O PRO A 116 -6.138 10.006 -0.257 1.00 0.00 O ATOM 1862 CB PRO A 116 -6.545 9.233 2.713 1.00 0.00 C ATOM 1863 CG PRO A 116 -6.311 7.703 2.656 1.00 0.00 C ATOM 1864 CD PRO A 116 -7.198 7.138 1.539 1.00 0.00 C ATOM 0 HA PRO A 116 -8.417 10.139 2.021 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -5.609 9.769 2.555 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -6.918 9.526 3.694 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.262 7.483 2.459 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.559 7.242 3.612 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -6.599 6.671 0.757 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -7.876 6.374 1.920 1.00 0.00 H new ATOM 1872 N PRO A 117 -7.233 11.753 0.580 1.00 0.00 N ATOM 1873 CA PRO A 117 -6.687 12.727 -0.388 1.00 0.00 C ATOM 1874 C PRO A 117 -5.160 12.834 -0.266 1.00 0.00 C ATOM 1875 O PRO A 117 -4.472 13.103 -1.231 1.00 0.00 O ATOM 1876 CB PRO A 117 -7.344 14.062 -0.015 1.00 0.00 C ATOM 1877 CG PRO A 117 -8.265 13.810 1.208 1.00 0.00 C ATOM 1878 CD PRO A 117 -8.170 12.318 1.567 1.00 0.00 C ATOM 0 HA PRO A 117 -6.894 12.431 -1.417 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -6.586 14.807 0.225 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -7.921 14.452 -0.854 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -7.957 14.427 2.052 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -9.294 14.082 0.974 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -7.805 12.178 2.584 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -9.145 11.834 1.509 1.00 0.00 H new ATOM 1886 N ALA A 118 -4.624 12.641 0.910 1.00 0.00 N ATOM 1887 CA ALA A 118 -3.144 12.748 1.084 1.00 0.00 C ATOM 1888 C ALA A 118 -2.424 12.061 -0.080 1.00 0.00 C ATOM 1889 O ALA A 118 -1.476 12.587 -0.629 1.00 0.00 O ATOM 1890 CB ALA A 118 -2.732 12.077 2.395 1.00 0.00 C ATOM 0 H ALA A 118 -5.145 12.414 1.757 1.00 0.00 H new ATOM 0 HA ALA A 118 -2.868 13.802 1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.652 12.156 2.520 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -3.231 12.570 3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -3.019 11.026 2.371 1.00 0.00 H new ATOM 1896 N ASN A 119 -2.859 10.890 -0.458 1.00 0.00 N ATOM 1897 CA ASN A 119 -2.185 10.180 -1.584 1.00 0.00 C ATOM 1898 C ASN A 119 -2.989 10.392 -2.868 1.00 0.00 C ATOM 1899 O ASN A 119 -3.334 9.459 -3.563 1.00 0.00 O ATOM 1900 CB ASN A 119 -2.102 8.684 -1.271 1.00 0.00 C ATOM 1901 CG ASN A 119 -0.788 8.390 -0.545 1.00 0.00 C ATOM 1902 OD1 ASN A 119 0.132 7.849 -1.125 1.00 0.00 O ATOM 1903 ND2 ASN A 119 -0.661 8.725 0.710 1.00 0.00 N ATOM 0 H ASN A 119 -3.647 10.396 -0.039 1.00 0.00 H new ATOM 0 HA ASN A 119 -1.178 10.576 -1.715 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -2.947 8.383 -0.652 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -2.159 8.105 -2.192 1.00 0.00 H new ATOM 0 HD21 ASN A 119 0.211 8.533 1.204 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -1.433 9.179 1.197 1.00 0.00 H new ATOM 1910 N GLU A 120 -3.290 11.621 -3.178 1.00 0.00 N ATOM 1911 CA GLU A 120 -4.076 11.934 -4.404 1.00 0.00 C ATOM 1912 C GLU A 120 -3.278 11.668 -5.700 1.00 0.00 C ATOM 1913 O GLU A 120 -3.860 11.262 -6.682 1.00 0.00 O ATOM 1914 CB GLU A 120 -4.470 13.406 -4.367 1.00 0.00 C ATOM 1915 CG GLU A 120 -5.920 13.538 -3.896 1.00 0.00 C ATOM 1916 CD GLU A 120 -6.572 14.744 -4.575 1.00 0.00 C ATOM 1917 OE1 GLU A 120 -6.900 14.634 -5.745 1.00 0.00 O ATOM 1918 OE2 GLU A 120 -6.730 15.757 -3.914 1.00 0.00 O ATOM 0 H GLU A 120 -3.021 12.435 -2.625 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.951 11.284 -4.413 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.808 13.953 -3.696 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -4.357 13.848 -5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -6.474 12.630 -4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.952 13.656 -2.813 1.00 0.00 H new ATOM 1925 N PRO A 121 -1.990 11.933 -5.697 1.00 0.00 N ATOM 1926 CA PRO A 121 -1.159 11.744 -6.906 1.00 0.00 C ATOM 1927 C PRO A 121 -1.241 10.311 -7.442 1.00 0.00 C ATOM 1928 O PRO A 121 -1.205 10.093 -8.637 1.00 0.00 O ATOM 1929 CB PRO A 121 0.267 12.090 -6.459 1.00 0.00 C ATOM 1930 CG PRO A 121 0.181 12.664 -5.023 1.00 0.00 C ATOM 1931 CD PRO A 121 -1.252 12.440 -4.521 1.00 0.00 C ATOM 0 HA PRO A 121 -1.499 12.374 -7.728 1.00 0.00 H new ATOM 0 HB2 PRO A 121 0.901 11.203 -6.480 1.00 0.00 H new ATOM 0 HB3 PRO A 121 0.715 12.818 -7.136 1.00 0.00 H new ATOM 0 HG2 PRO A 121 0.898 12.169 -4.369 1.00 0.00 H new ATOM 0 HG3 PRO A 121 0.427 13.726 -5.019 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -1.276 11.723 -3.700 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -1.690 13.366 -4.149 1.00 0.00 H new ATOM 1939 N VAL A 122 -1.355 9.333 -6.595 1.00 0.00 N ATOM 1940 CA VAL A 122 -1.442 7.936 -7.105 1.00 0.00 C ATOM 1941 C VAL A 122 -2.906 7.502 -7.106 1.00 0.00 C ATOM 1942 O VAL A 122 -3.352 6.806 -7.995 1.00 0.00 O ATOM 1943 CB VAL A 122 -0.598 7.018 -6.219 1.00 0.00 C ATOM 1944 CG1 VAL A 122 -1.236 5.628 -6.110 1.00 0.00 C ATOM 1945 CG2 VAL A 122 0.800 6.877 -6.825 1.00 0.00 C ATOM 0 H VAL A 122 -1.392 9.435 -5.581 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.057 7.877 -8.123 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.538 7.457 -5.223 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.618 4.993 -5.475 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -2.231 5.718 -5.675 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.313 5.184 -7.103 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.405 6.223 -6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 122 0.722 6.449 -7.824 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.271 7.858 -6.887 1.00 0.00 H new ATOM 1955 N ILE A 123 -3.670 7.918 -6.133 1.00 0.00 N ATOM 1956 CA ILE A 123 -5.103 7.534 -6.133 1.00 0.00 C ATOM 1957 C ILE A 123 -5.760 8.225 -7.329 1.00 0.00 C ATOM 1958 O ILE A 123 -6.833 7.864 -7.754 1.00 0.00 O ATOM 1959 CB ILE A 123 -5.763 7.940 -4.800 1.00 0.00 C ATOM 1960 CG1 ILE A 123 -6.004 6.678 -3.966 1.00 0.00 C ATOM 1961 CG2 ILE A 123 -7.110 8.635 -5.043 1.00 0.00 C ATOM 1962 CD1 ILE A 123 -7.097 5.835 -4.626 1.00 0.00 C ATOM 0 H ILE A 123 -3.367 8.498 -5.351 1.00 0.00 H new ATOM 0 HA ILE A 123 -5.223 6.455 -6.225 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.101 8.632 -4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -5.083 6.101 -3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -6.300 6.949 -2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -7.555 8.911 -4.087 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -6.954 9.532 -5.643 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.779 7.957 -5.572 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -7.270 4.936 -4.034 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -8.018 6.415 -4.684 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -6.782 5.553 -5.631 1.00 0.00 H new ATOM 1974 N ALA A 124 -5.095 9.203 -7.887 1.00 0.00 N ATOM 1975 CA ALA A 124 -5.649 9.907 -9.073 1.00 0.00 C ATOM 1976 C ALA A 124 -5.767 8.894 -10.202 1.00 0.00 C ATOM 1977 O ALA A 124 -6.615 8.981 -11.067 1.00 0.00 O ATOM 1978 CB ALA A 124 -4.685 11.022 -9.484 1.00 0.00 C ATOM 0 H ALA A 124 -4.188 9.543 -7.568 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.624 10.340 -8.849 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.083 11.545 -10.354 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.570 11.725 -8.659 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.715 10.591 -9.732 1.00 0.00 H new ATOM 1984 N LYS A 125 -4.896 7.937 -10.176 1.00 0.00 N ATOM 1985 CA LYS A 125 -4.876 6.874 -11.212 1.00 0.00 C ATOM 1986 C LYS A 125 -5.913 5.790 -10.909 1.00 0.00 C ATOM 1987 O LYS A 125 -6.559 5.283 -11.803 1.00 0.00 O ATOM 1988 CB LYS A 125 -3.478 6.277 -11.237 1.00 0.00 C ATOM 1989 CG LYS A 125 -2.538 7.313 -11.837 1.00 0.00 C ATOM 1990 CD LYS A 125 -3.001 7.661 -13.252 1.00 0.00 C ATOM 1991 CE LYS A 125 -1.794 7.686 -14.191 1.00 0.00 C ATOM 1992 NZ LYS A 125 -1.170 9.039 -14.162 1.00 0.00 N ATOM 0 H LYS A 125 -4.175 7.842 -9.461 1.00 0.00 H new ATOM 0 HA LYS A 125 -5.128 7.299 -12.183 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -3.159 6.010 -10.229 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -3.465 5.362 -11.828 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -2.523 8.209 -11.217 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.520 6.925 -11.861 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -3.730 6.928 -13.598 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -3.498 8.631 -13.255 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -1.068 6.932 -13.887 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -2.104 7.439 -15.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -0.349 9.056 -14.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -1.865 9.748 -14.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -0.860 9.258 -13.194 1.00 0.00 H new ATOM 2006 N LEU A 126 -6.084 5.418 -9.667 1.00 0.00 N ATOM 2007 CA LEU A 126 -7.094 4.363 -9.362 1.00 0.00 C ATOM 2008 C LEU A 126 -8.471 4.922 -9.670 1.00 0.00 C ATOM 2009 O LEU A 126 -9.418 4.199 -9.909 1.00 0.00 O ATOM 2010 CB LEU A 126 -7.037 3.959 -7.888 1.00 0.00 C ATOM 2011 CG LEU A 126 -5.692 3.302 -7.532 1.00 0.00 C ATOM 2012 CD1 LEU A 126 -4.884 2.968 -8.790 1.00 0.00 C ATOM 2013 CD2 LEU A 126 -4.874 4.247 -6.652 1.00 0.00 C ATOM 0 H LEU A 126 -5.578 5.791 -8.864 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.884 3.481 -9.967 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -7.189 4.839 -7.263 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.850 3.267 -7.668 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.903 2.376 -6.998 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.940 2.505 -8.504 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -5.452 2.278 -9.414 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -4.685 3.883 -9.348 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -3.922 3.779 -6.402 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.690 5.177 -7.190 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.425 4.460 -5.736 1.00 0.00 H new ATOM 2025 N LYS A 127 -8.581 6.212 -9.682 1.00 0.00 N ATOM 2026 CA LYS A 127 -9.879 6.842 -10.000 1.00 0.00 C ATOM 2027 C LYS A 127 -10.352 6.267 -11.319 1.00 0.00 C ATOM 2028 O LYS A 127 -11.530 6.133 -11.586 1.00 0.00 O ATOM 2029 CB LYS A 127 -9.646 8.331 -10.170 1.00 0.00 C ATOM 2030 CG LYS A 127 -8.868 8.831 -8.965 1.00 0.00 C ATOM 2031 CD LYS A 127 -9.561 10.064 -8.383 1.00 0.00 C ATOM 2032 CE LYS A 127 -9.651 11.152 -9.453 1.00 0.00 C ATOM 2033 NZ LYS A 127 -10.885 11.958 -9.231 1.00 0.00 N ATOM 0 H LYS A 127 -7.821 6.862 -9.483 1.00 0.00 H new ATOM 0 HA LYS A 127 -10.614 6.663 -9.216 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -9.092 8.527 -11.088 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -10.597 8.857 -10.254 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -8.804 8.047 -8.210 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -7.847 9.078 -9.256 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -10.559 9.801 -8.032 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -9.006 10.433 -7.520 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -8.771 11.794 -9.411 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -9.670 10.702 -10.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -10.950 12.700 -9.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -11.719 11.340 -9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -10.848 12.398 -8.289 1.00 0.00 H new ATOM 2047 N ARG A 128 -9.408 5.934 -12.141 1.00 0.00 N ATOM 2048 CA ARG A 128 -9.721 5.366 -13.466 1.00 0.00 C ATOM 2049 C ARG A 128 -9.874 3.851 -13.317 1.00 0.00 C ATOM 2050 O ARG A 128 -10.588 3.210 -14.063 1.00 0.00 O ATOM 2051 CB ARG A 128 -8.574 5.686 -14.437 1.00 0.00 C ATOM 2052 CG ARG A 128 -7.846 6.980 -14.026 1.00 0.00 C ATOM 2053 CD ARG A 128 -7.940 8.002 -15.159 1.00 0.00 C ATOM 2054 NE ARG A 128 -9.049 8.957 -14.866 1.00 0.00 N ATOM 2055 CZ ARG A 128 -9.127 10.091 -15.506 1.00 0.00 C ATOM 2056 NH1 ARG A 128 -8.041 10.744 -15.819 1.00 0.00 N ATOM 2057 NH2 ARG A 128 -10.294 10.578 -15.826 1.00 0.00 N ATOM 0 H ARG A 128 -8.412 6.035 -11.944 1.00 0.00 H new ATOM 0 HA ARG A 128 -10.645 5.793 -13.857 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -7.867 4.857 -14.455 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -8.968 5.792 -15.448 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -8.291 7.387 -13.118 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -6.801 6.766 -13.801 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -6.997 8.540 -15.259 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -8.120 7.496 -16.107 1.00 0.00 H new ATOM 0 HE ARG A 128 -9.749 8.722 -14.162 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -7.128 10.368 -15.563 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -8.105 11.630 -16.319 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -11.144 10.072 -15.576 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -10.357 11.465 -16.326 1.00 0.00 H new ATOM 2071 N LEU A 129 -9.207 3.275 -12.350 1.00 0.00 N ATOM 2072 CA LEU A 129 -9.311 1.803 -12.139 1.00 0.00 C ATOM 2073 C LEU A 129 -10.781 1.381 -12.168 1.00 0.00 C ATOM 2074 O LEU A 129 -11.034 0.200 -12.338 1.00 0.00 O ATOM 2075 CB LEU A 129 -8.692 1.422 -10.790 1.00 0.00 C ATOM 2076 CG LEU A 129 -7.526 0.471 -11.042 1.00 0.00 C ATOM 2077 CD1 LEU A 129 -6.330 1.266 -11.571 1.00 0.00 C ATOM 2078 CD2 LEU A 129 -7.141 -0.229 -9.738 1.00 0.00 C ATOM 2079 OXT LEU A 129 -11.627 2.247 -12.024 1.00 0.00 O ATOM 0 H LEU A 129 -8.594 3.763 -11.697 1.00 0.00 H new ATOM 0 HA LEU A 129 -8.772 1.291 -12.936 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -8.347 2.314 -10.267 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -9.437 0.947 -10.152 1.00 0.00 H new ATOM 0 HG LEU A 129 -7.820 -0.278 -11.777 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -5.495 0.589 -11.752 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -6.605 1.760 -12.503 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -6.037 2.015 -10.835 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -6.308 -0.908 -9.922 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -6.846 0.516 -8.999 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -7.994 -0.795 -9.363 1.00 0.00 H new