USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 885 hydrogens (51 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 NoAdj-H: A 18 HIS HE2 : A 18 HIS NE2 : A 104 HECFE :(H bumps) USER MOD NoAdj-H: A 72 M3L H2 : A 72 M3L N : A 71 PRO C :(H bumps) USER MOD NoAdj-H: A 104 HEC HAC : A 104 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 104 HEC HAB : A 104 HEC CAB : A 14 CYS SG :(H bumps) USER MOD Set 1.1: A 55 LYS NZ :NH3+ -115:sc= -1.36! (180deg=-1.91!) USER MOD Set 1.2: A 74 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 67 TYR OH : rot -170:sc= 0.844 USER MOD Set 2.2: A 78 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 46 TYR OH : rot 130:sc= -0.255 USER MOD Set 3.2: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.3: A 104 HEC O2D : rot -72:sc= -0.55 USER MOD Set 4.1: A 33 HIS : no HE2:sc= -8.96! C(o=-12!,f=-10!) USER MOD Set 4.2: A 102 SER OG : rot 180:sc= -3.33! USER MOD Set 5.1: A 19 THR OG1 : rot 66:sc= 1.06 USER MOD Set 5.2: A 31 ASN : amide:sc= -1.41 K(o=-0.35,f=-6.9!) USER MOD Set 6.1: A -5 THR N :NH3+ -137:sc= 0.534 (180deg=-0.863) USER MOD Set 6.2: A -5 THR OG1 : rot -89:sc= 0.837 USER MOD Set 6.3: A 62 ASN : amide:sc= -0.524! C(o=0.85!,f=-19!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0305) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A -2 LYS NZ :NH3+ 158:sc= -0.0492 (180deg=-0.507) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -2.07 X(o=-2.1,f=-2.5) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -8.59! C(o=-8.6!,f=-8.6!) USER MOD Single : A 40 SER OG : rot -90:sc= -1.08 USER MOD Single : A 42 GLN : amide:sc= -3.78! C(o=-3.8!,f=-7.5!) USER MOD Single : A 47 SER OG : rot -6:sc= 0.768! USER MOD Single : A 48 TYR OH : rot 142:sc= -2.88! USER MOD Single : A 49 THR OG1 : rot 162:sc= 0.0744 USER MOD Single : A 52 ASN : amide:sc= -2.23! C(o=-2.2!,f=-4.9!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0548 X(o=-0.055,f=0) USER MOD Single : A 63 ASN : amide:sc= -4.82! C(o=-4.8!,f=-9.5!) USER MOD Single : A 64 MET CE :methyl 164:sc= -5! (180deg=-5.92!) USER MOD Single : A 65 SER OG : rot -69:sc= 1.1 USER MOD Single : A 69 THR OG1 : rot -160:sc= -0.0152 USER MOD Single : A 70 ASN : amide:sc= -0.189 X(o=-0.19,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -144:sc= -0.603 (180deg=-1.93!) USER MOD Single : A 80 MET CE :methyl 171:sc= -1.92 (180deg=-2.51!) USER MOD Single : A 86 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0226) USER MOD Single : A 87 LYS NZ :NH3+ 161:sc= -0.135 (180deg=-0.489) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -3.45! K(o=-3.5!,f=-2.9) USER MOD Single : A 96 THR OG1 : rot 99:sc= -0.752! USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 150:sc= -0.0976 (180deg=-0.64) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 HEC O2A : rot -75:sc= 0.935 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A -5 7.799 -13.993 -8.480 1.00 0.00 N ATOM 2 CA THR A -5 9.023 -14.566 -7.947 1.00 0.00 C ATOM 3 C THR A -5 8.711 -15.804 -7.104 1.00 0.00 C ATOM 4 O THR A -5 9.216 -16.891 -7.381 1.00 0.00 O ATOM 5 CB THR A -5 9.758 -13.471 -7.170 1.00 0.00 C ATOM 6 OG1 THR A -5 8.793 -13.005 -6.231 1.00 0.00 O ATOM 7 CG2 THR A -5 10.062 -12.245 -8.032 1.00 0.00 C ATOM 0 H1 THR A -5 7.945 -13.727 -9.475 1.00 0.00 H new ATOM 0 H2 THR A -5 7.032 -14.693 -8.417 1.00 0.00 H new ATOM 0 H3 THR A -5 7.543 -13.148 -7.930 1.00 0.00 H new ATOM 0 HA THR A -5 9.677 -14.913 -8.746 1.00 0.00 H new ATOM 0 HB THR A -5 10.689 -13.872 -6.770 1.00 0.00 H new ATOM 0 HG1 THR A -5 8.267 -12.283 -6.634 1.00 0.00 H new ATOM 0 HG21 THR A -5 10.584 -11.499 -7.432 1.00 0.00 H new ATOM 0 HG22 THR A -5 10.690 -12.538 -8.873 1.00 0.00 H new ATOM 0 HG23 THR A -5 9.129 -11.823 -8.406 1.00 0.00 H new ATOM 15 N GLU A -4 7.880 -15.598 -6.094 1.00 0.00 N ATOM 16 CA GLU A -4 7.494 -16.684 -5.209 1.00 0.00 C ATOM 17 C GLU A -4 6.278 -16.281 -4.372 1.00 0.00 C ATOM 18 O GLU A -4 6.346 -16.253 -3.145 1.00 0.00 O ATOM 19 CB GLU A -4 8.661 -17.102 -4.313 1.00 0.00 C ATOM 20 CG GLU A -4 9.066 -15.965 -3.373 1.00 0.00 C ATOM 21 CD GLU A -4 9.287 -16.481 -1.950 1.00 0.00 C ATOM 22 OE1 GLU A -4 8.524 -17.388 -1.551 1.00 0.00 O ATOM 23 OE2 GLU A -4 10.213 -15.958 -1.293 1.00 0.00 O ATOM 0 H GLU A -4 7.463 -14.695 -5.868 1.00 0.00 H new ATOM 0 HA GLU A -4 7.221 -17.544 -5.820 1.00 0.00 H new ATOM 0 HB2 GLU A -4 8.380 -17.978 -3.729 1.00 0.00 H new ATOM 0 HB3 GLU A -4 9.513 -17.389 -4.930 1.00 0.00 H new ATOM 0 HG2 GLU A -4 9.979 -15.494 -3.738 1.00 0.00 H new ATOM 0 HG3 GLU A -4 8.291 -15.198 -3.369 1.00 0.00 H new ATOM 30 N PHE A -3 5.193 -15.978 -5.071 1.00 0.00 N ATOM 31 CA PHE A -3 3.964 -15.577 -4.408 1.00 0.00 C ATOM 32 C PHE A -3 3.013 -16.766 -4.252 1.00 0.00 C ATOM 33 O PHE A -3 2.961 -17.641 -5.115 1.00 0.00 O ATOM 34 CB PHE A -3 3.301 -14.522 -5.295 1.00 0.00 C ATOM 35 CG PHE A -3 1.792 -14.386 -5.080 1.00 0.00 C ATOM 36 CD1 PHE A -3 1.317 -13.673 -4.024 1.00 0.00 C ATOM 37 CD2 PHE A -3 0.926 -14.980 -5.945 1.00 0.00 C ATOM 38 CE1 PHE A -3 -0.083 -13.548 -3.825 1.00 0.00 C ATOM 39 CE2 PHE A -3 -0.474 -14.855 -5.745 1.00 0.00 C ATOM 40 CZ PHE A -3 -0.949 -14.141 -4.689 1.00 0.00 C ATOM 0 H PHE A -3 5.140 -16.002 -6.089 1.00 0.00 H new ATOM 0 HA PHE A -3 4.186 -15.190 -3.413 1.00 0.00 H new ATOM 0 HB2 PHE A -3 3.772 -13.557 -5.108 1.00 0.00 H new ATOM 0 HB3 PHE A -3 3.488 -14.771 -6.340 1.00 0.00 H new ATOM 0 HD1 PHE A -3 2.005 -13.202 -3.337 1.00 0.00 H new ATOM 0 HD2 PHE A -3 1.303 -15.546 -6.784 1.00 0.00 H new ATOM 0 HE1 PHE A -3 -0.460 -12.981 -2.987 1.00 0.00 H new ATOM 0 HE2 PHE A -3 -1.162 -15.327 -6.431 1.00 0.00 H new ATOM 0 HZ PHE A -3 -2.014 -14.045 -4.537 1.00 0.00 H new ATOM 50 N LYS A -2 2.284 -16.758 -3.146 1.00 0.00 N ATOM 51 CA LYS A -2 1.337 -17.824 -2.866 1.00 0.00 C ATOM 52 C LYS A -2 -0.087 -17.269 -2.940 1.00 0.00 C ATOM 53 O LYS A -2 -0.383 -16.230 -2.352 1.00 0.00 O ATOM 54 CB LYS A -2 1.667 -18.496 -1.532 1.00 0.00 C ATOM 55 CG LYS A -2 1.660 -20.020 -1.669 1.00 0.00 C ATOM 56 CD LYS A -2 2.869 -20.504 -2.472 1.00 0.00 C ATOM 57 CE LYS A -2 4.159 -20.353 -1.664 1.00 0.00 C ATOM 58 NZ LYS A -2 4.137 -21.241 -0.481 1.00 0.00 N ATOM 0 H LYS A -2 2.330 -16.030 -2.433 1.00 0.00 H new ATOM 0 HA LYS A -2 1.412 -18.608 -3.619 1.00 0.00 H new ATOM 0 HB2 LYS A -2 2.645 -18.163 -1.185 1.00 0.00 H new ATOM 0 HB3 LYS A -2 0.941 -18.192 -0.778 1.00 0.00 H new ATOM 0 HG2 LYS A -2 1.669 -20.478 -0.680 1.00 0.00 H new ATOM 0 HG3 LYS A -2 0.741 -20.340 -2.160 1.00 0.00 H new ATOM 0 HD2 LYS A -2 2.730 -21.549 -2.751 1.00 0.00 H new ATOM 0 HD3 LYS A -2 2.947 -19.934 -3.398 1.00 0.00 H new ATOM 0 HE2 LYS A -2 5.018 -20.594 -2.291 1.00 0.00 H new ATOM 0 HE3 LYS A -2 4.277 -19.317 -1.346 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 5.111 -21.417 -0.161 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 3.598 -20.787 0.284 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 3.687 -22.144 -0.733 1.00 0.00 H new ATOM 72 N ALA A -1 -0.930 -17.986 -3.668 1.00 0.00 N ATOM 73 CA ALA A -1 -2.316 -17.578 -3.827 1.00 0.00 C ATOM 74 C ALA A -1 -3.119 -18.032 -2.606 1.00 0.00 C ATOM 75 O ALA A -1 -2.731 -18.976 -1.919 1.00 0.00 O ATOM 76 CB ALA A -1 -2.869 -18.148 -5.134 1.00 0.00 C ATOM 0 H ALA A -1 -0.680 -18.847 -4.154 1.00 0.00 H new ATOM 0 HA ALA A -1 -2.393 -16.492 -3.887 1.00 0.00 H new ATOM 0 HB1 ALA A -1 -3.908 -17.842 -5.253 1.00 0.00 H new ATOM 0 HB2 ALA A -1 -2.282 -17.773 -5.972 1.00 0.00 H new ATOM 0 HB3 ALA A -1 -2.812 -19.236 -5.109 1.00 0.00 H new ATOM 82 N GLY A 1 -4.224 -17.339 -2.374 1.00 0.00 N ATOM 83 CA GLY A 1 -5.086 -17.659 -1.249 1.00 0.00 C ATOM 84 C GLY A 1 -6.560 -17.604 -1.654 1.00 0.00 C ATOM 85 O GLY A 1 -6.940 -18.126 -2.701 1.00 0.00 O ATOM 0 H GLY A 1 -4.542 -16.557 -2.946 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.845 -18.654 -0.873 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.903 -16.958 -0.435 1.00 0.00 H new ATOM 89 N SER A 2 -7.352 -16.967 -0.803 1.00 0.00 N ATOM 90 CA SER A 2 -8.776 -16.838 -1.060 1.00 0.00 C ATOM 91 C SER A 2 -9.339 -15.641 -0.291 1.00 0.00 C ATOM 92 O SER A 2 -8.642 -15.038 0.524 1.00 0.00 O ATOM 93 CB SER A 2 -9.523 -18.116 -0.675 1.00 0.00 C ATOM 94 OG SER A 2 -9.149 -18.584 0.618 1.00 0.00 O ATOM 0 H SER A 2 -7.034 -16.535 0.065 1.00 0.00 H new ATOM 0 HA SER A 2 -8.918 -16.675 -2.128 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.597 -17.929 -0.696 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.320 -18.891 -1.414 1.00 0.00 H new ATOM 0 HG SER A 2 -9.649 -19.400 0.828 1.00 0.00 H new ATOM 100 N ALA A 3 -10.596 -15.333 -0.577 1.00 0.00 N ATOM 101 CA ALA A 3 -11.260 -14.219 0.078 1.00 0.00 C ATOM 102 C ALA A 3 -11.761 -14.666 1.453 1.00 0.00 C ATOM 103 O ALA A 3 -12.941 -14.518 1.766 1.00 0.00 O ATOM 104 CB ALA A 3 -12.391 -13.703 -0.815 1.00 0.00 C ATOM 0 H ALA A 3 -11.171 -15.835 -1.253 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.564 -13.395 0.233 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -12.890 -12.867 -0.324 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -11.979 -13.371 -1.768 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -13.111 -14.503 -0.990 1.00 0.00 H new ATOM 110 N LYS A 4 -10.838 -15.204 2.237 1.00 0.00 N ATOM 111 CA LYS A 4 -11.171 -15.674 3.571 1.00 0.00 C ATOM 112 C LYS A 4 -9.887 -16.065 4.304 1.00 0.00 C ATOM 113 O LYS A 4 -9.728 -17.213 4.716 1.00 0.00 O ATOM 114 CB LYS A 4 -12.206 -16.799 3.500 1.00 0.00 C ATOM 115 CG LYS A 4 -13.604 -16.280 3.843 1.00 0.00 C ATOM 116 CD LYS A 4 -14.429 -17.356 4.554 1.00 0.00 C ATOM 117 CE LYS A 4 -15.917 -17.000 4.545 1.00 0.00 C ATOM 118 NZ LYS A 4 -16.162 -15.776 5.341 1.00 0.00 N ATOM 0 H LYS A 4 -9.860 -15.325 1.974 1.00 0.00 H new ATOM 0 HA LYS A 4 -11.639 -14.878 4.150 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -12.210 -17.232 2.500 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -11.930 -17.596 4.191 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.523 -15.399 4.480 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -14.114 -15.969 2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -14.278 -18.318 4.064 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.083 -17.464 5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -16.254 -16.848 3.520 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -16.498 -17.828 4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -17.186 -15.605 5.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -15.767 -15.898 6.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -15.706 -14.964 4.878 1.00 0.00 H new ATOM 132 N LYS A 5 -9.003 -15.088 4.445 1.00 0.00 N ATOM 133 CA LYS A 5 -7.738 -15.316 5.122 1.00 0.00 C ATOM 134 C LYS A 5 -6.947 -14.007 5.170 1.00 0.00 C ATOM 135 O LYS A 5 -6.296 -13.707 6.170 1.00 0.00 O ATOM 136 CB LYS A 5 -6.978 -16.469 4.464 1.00 0.00 C ATOM 137 CG LYS A 5 -6.964 -17.704 5.367 1.00 0.00 C ATOM 138 CD LYS A 5 -5.878 -17.588 6.438 1.00 0.00 C ATOM 139 CE LYS A 5 -6.491 -17.323 7.815 1.00 0.00 C ATOM 140 NZ LYS A 5 -6.642 -18.589 8.567 1.00 0.00 N ATOM 0 H LYS A 5 -9.138 -14.137 4.102 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.909 -15.624 6.153 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.442 -16.717 3.510 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.955 -16.159 4.250 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.938 -17.822 5.843 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.793 -18.597 4.766 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -5.292 -18.507 6.468 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.192 -16.781 6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.859 -16.634 8.375 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.463 -16.843 7.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.059 -18.392 9.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.264 -19.234 8.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -5.709 -19.032 8.692 1.00 0.00 H new ATOM 154 N GLY A 6 -7.031 -13.262 4.078 1.00 0.00 N ATOM 155 CA GLY A 6 -6.331 -11.992 3.983 1.00 0.00 C ATOM 156 C GLY A 6 -7.215 -10.841 4.471 1.00 0.00 C ATOM 157 O GLY A 6 -6.739 -9.933 5.150 1.00 0.00 O ATOM 0 H GLY A 6 -7.573 -13.513 3.251 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.418 -12.031 4.577 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -6.033 -11.813 2.950 1.00 0.00 H new ATOM 161 N ALA A 7 -8.486 -10.918 4.105 1.00 0.00 N ATOM 162 CA ALA A 7 -9.440 -9.895 4.497 1.00 0.00 C ATOM 163 C ALA A 7 -9.253 -9.569 5.980 1.00 0.00 C ATOM 164 O ALA A 7 -9.031 -8.415 6.343 1.00 0.00 O ATOM 165 CB ALA A 7 -10.859 -10.371 4.179 1.00 0.00 C ATOM 0 H ALA A 7 -8.877 -11.673 3.541 1.00 0.00 H new ATOM 0 HA ALA A 7 -9.270 -8.977 3.934 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.575 -9.603 4.473 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.948 -10.560 3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -11.066 -11.290 4.728 1.00 0.00 H new ATOM 171 N THR A 8 -9.348 -10.608 6.797 1.00 0.00 N ATOM 172 CA THR A 8 -9.192 -10.447 8.233 1.00 0.00 C ATOM 173 C THR A 8 -8.003 -9.535 8.541 1.00 0.00 C ATOM 174 O THR A 8 -8.063 -8.719 9.460 1.00 0.00 O ATOM 175 CB THR A 8 -9.067 -11.839 8.854 1.00 0.00 C ATOM 176 OG1 THR A 8 -10.286 -12.010 9.572 1.00 0.00 O ATOM 177 CG2 THR A 8 -7.985 -11.904 9.934 1.00 0.00 C ATOM 0 H THR A 8 -9.531 -11.564 6.492 1.00 0.00 H new ATOM 0 HA THR A 8 -10.060 -9.956 8.673 1.00 0.00 H new ATOM 0 HB THR A 8 -8.843 -12.566 8.073 1.00 0.00 H new ATOM 0 HG1 THR A 8 -10.290 -12.889 10.005 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.938 -12.914 10.342 1.00 0.00 H new ATOM 0 HG22 THR A 8 -7.020 -11.643 9.499 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.225 -11.201 10.732 1.00 0.00 H new ATOM 185 N LEU A 9 -6.950 -9.703 7.755 1.00 0.00 N ATOM 186 CA LEU A 9 -5.748 -8.906 7.932 1.00 0.00 C ATOM 187 C LEU A 9 -6.088 -7.428 7.731 1.00 0.00 C ATOM 188 O LEU A 9 -6.181 -6.671 8.696 1.00 0.00 O ATOM 189 CB LEU A 9 -4.630 -9.410 7.017 1.00 0.00 C ATOM 190 CG LEU A 9 -3.202 -9.095 7.467 1.00 0.00 C ATOM 191 CD1 LEU A 9 -2.287 -10.306 7.274 1.00 0.00 C ATOM 192 CD2 LEU A 9 -2.665 -7.852 6.756 1.00 0.00 C ATOM 0 H LEU A 9 -6.904 -10.380 6.993 1.00 0.00 H new ATOM 0 HA LEU A 9 -5.367 -9.011 8.948 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.728 -10.491 6.918 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.780 -8.984 6.025 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.221 -8.872 8.534 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.278 -10.055 7.601 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.662 -11.143 7.863 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.268 -10.583 6.220 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -1.649 -7.650 7.094 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.663 -8.021 5.679 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.301 -6.997 6.987 1.00 0.00 H new ATOM 204 N PHE A 10 -6.265 -7.061 6.470 1.00 0.00 N ATOM 205 CA PHE A 10 -6.593 -5.687 6.129 1.00 0.00 C ATOM 206 C PHE A 10 -7.666 -5.130 7.068 1.00 0.00 C ATOM 207 O PHE A 10 -7.749 -3.920 7.273 1.00 0.00 O ATOM 208 CB PHE A 10 -7.139 -5.698 4.700 1.00 0.00 C ATOM 209 CG PHE A 10 -7.290 -4.307 4.081 1.00 0.00 C ATOM 210 CD1 PHE A 10 -6.209 -3.679 3.548 1.00 0.00 C ATOM 211 CD2 PHE A 10 -8.507 -3.700 4.064 1.00 0.00 C ATOM 212 CE1 PHE A 10 -6.350 -2.388 2.973 1.00 0.00 C ATOM 213 CE2 PHE A 10 -8.648 -2.409 3.489 1.00 0.00 C ATOM 214 CZ PHE A 10 -7.566 -1.780 2.955 1.00 0.00 C ATOM 0 H PHE A 10 -6.187 -7.691 5.672 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.706 -5.060 6.221 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.475 -6.293 4.073 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -8.110 -6.193 4.697 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.243 -4.162 3.562 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -9.366 -4.199 4.488 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.491 -1.889 2.550 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -9.614 -1.926 3.476 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.673 -0.799 2.517 1.00 0.00 H new ATOM 224 N LYS A 11 -8.459 -6.040 7.614 1.00 0.00 N ATOM 225 CA LYS A 11 -9.523 -5.656 8.526 1.00 0.00 C ATOM 226 C LYS A 11 -8.942 -4.783 9.640 1.00 0.00 C ATOM 227 O LYS A 11 -9.423 -3.677 9.881 1.00 0.00 O ATOM 228 CB LYS A 11 -10.264 -6.893 9.036 1.00 0.00 C ATOM 229 CG LYS A 11 -11.749 -6.592 9.253 1.00 0.00 C ATOM 230 CD LYS A 11 -11.958 -5.730 10.499 1.00 0.00 C ATOM 231 CE LYS A 11 -13.352 -5.100 10.502 1.00 0.00 C ATOM 232 NZ LYS A 11 -13.421 -3.999 11.489 1.00 0.00 N ATOM 0 H LYS A 11 -8.386 -7.043 7.442 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.272 -5.057 8.008 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.155 -7.707 8.320 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -9.817 -7.229 9.971 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.151 -6.078 8.380 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -12.302 -7.526 9.356 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -11.829 -6.340 11.393 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.201 -4.947 10.535 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -13.588 -4.720 9.508 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.099 -5.857 10.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.374 -3.582 11.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.216 -4.371 12.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.721 -3.269 11.245 1.00 0.00 H new ATOM 246 N THR A 12 -7.917 -5.313 10.290 1.00 0.00 N ATOM 247 CA THR A 12 -7.266 -4.596 11.373 1.00 0.00 C ATOM 248 C THR A 12 -5.765 -4.472 11.104 1.00 0.00 C ATOM 249 O THR A 12 -4.965 -4.430 12.038 1.00 0.00 O ATOM 250 CB THR A 12 -7.591 -5.319 12.682 1.00 0.00 C ATOM 251 OG1 THR A 12 -7.056 -6.627 12.497 1.00 0.00 O ATOM 252 CG2 THR A 12 -9.092 -5.553 12.864 1.00 0.00 C ATOM 0 H THR A 12 -7.521 -6.231 10.088 1.00 0.00 H new ATOM 0 HA THR A 12 -7.636 -3.574 11.449 1.00 0.00 H new ATOM 0 HB THR A 12 -7.210 -4.739 13.522 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.221 -7.164 13.300 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.268 -6.069 13.808 1.00 0.00 H new ATOM 0 HG22 THR A 12 -9.611 -4.595 12.872 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.468 -6.162 12.042 1.00 0.00 H new ATOM 260 N ARG A 13 -5.428 -4.417 9.824 1.00 0.00 N ATOM 261 CA ARG A 13 -4.037 -4.298 9.421 1.00 0.00 C ATOM 262 C ARG A 13 -3.921 -3.430 8.166 1.00 0.00 C ATOM 263 O ARG A 13 -3.142 -3.738 7.264 1.00 0.00 O ATOM 264 CB ARG A 13 -3.426 -5.673 9.141 1.00 0.00 C ATOM 265 CG ARG A 13 -3.296 -6.488 10.429 1.00 0.00 C ATOM 266 CD ARG A 13 -1.949 -6.230 11.107 1.00 0.00 C ATOM 267 NE ARG A 13 -1.471 -7.465 11.768 1.00 0.00 N ATOM 268 CZ ARG A 13 -0.771 -8.425 11.149 1.00 0.00 C ATOM 269 NH1 ARG A 13 -0.463 -8.299 9.851 1.00 0.00 N ATOM 270 NH2 ARG A 13 -0.378 -9.512 11.828 1.00 0.00 N ATOM 0 H ARG A 13 -6.094 -4.453 9.052 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.492 -3.831 10.241 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.048 -6.212 8.426 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.445 -5.552 8.682 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.106 -6.229 11.111 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.396 -7.550 10.204 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.219 -5.896 10.369 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.049 -5.430 11.841 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.688 -7.593 12.756 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.762 -7.472 9.334 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.070 -9.030 9.380 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.612 -9.608 12.816 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.155 -10.243 11.356 1.00 0.00 H new ATOM 284 N CYS A 14 -4.706 -2.363 8.148 1.00 0.00 N ATOM 285 CA CYS A 14 -4.700 -1.449 7.019 1.00 0.00 C ATOM 286 C CYS A 14 -5.849 -0.455 7.200 1.00 0.00 C ATOM 287 O CYS A 14 -5.655 0.753 7.074 1.00 0.00 O ATOM 288 CB CYS A 14 -4.796 -2.195 5.686 1.00 0.00 C ATOM 289 SG CYS A 14 -3.222 -2.319 4.761 1.00 0.00 S ATOM 0 H CYS A 14 -5.350 -2.111 8.897 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.754 -0.909 6.991 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.170 -3.201 5.875 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -5.532 -1.694 5.057 1.00 0.00 H new ATOM 294 N LEU A 15 -7.020 -1.000 7.493 1.00 0.00 N ATOM 295 CA LEU A 15 -8.200 -0.176 7.693 1.00 0.00 C ATOM 296 C LEU A 15 -7.845 1.005 8.597 1.00 0.00 C ATOM 297 O LEU A 15 -8.351 2.110 8.409 1.00 0.00 O ATOM 298 CB LEU A 15 -9.363 -1.023 8.216 1.00 0.00 C ATOM 299 CG LEU A 15 -10.487 -1.307 7.218 1.00 0.00 C ATOM 300 CD1 LEU A 15 -9.922 -1.645 5.837 1.00 0.00 C ATOM 301 CD2 LEU A 15 -11.419 -2.403 7.740 1.00 0.00 C ATOM 0 H LEU A 15 -7.177 -2.002 7.597 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.540 0.239 6.744 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.965 -1.976 8.565 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.792 -0.520 9.083 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.084 -0.401 7.109 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.742 -1.843 5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -9.333 -0.805 5.469 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.288 -2.529 5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.209 -2.586 7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.851 -3.320 7.897 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.862 -2.085 8.684 1.00 0.00 H new ATOM 313 N GLN A 16 -6.977 0.732 9.560 1.00 0.00 N ATOM 314 CA GLN A 16 -6.548 1.759 10.495 1.00 0.00 C ATOM 315 C GLN A 16 -6.110 3.015 9.738 1.00 0.00 C ATOM 316 O GLN A 16 -6.107 4.111 10.297 1.00 0.00 O ATOM 317 CB GLN A 16 -5.425 1.244 11.398 1.00 0.00 C ATOM 318 CG GLN A 16 -4.203 0.832 10.574 1.00 0.00 C ATOM 319 CD GLN A 16 -3.237 -0.009 11.410 1.00 0.00 C ATOM 320 OE1 GLN A 16 -3.028 -1.186 11.167 1.00 0.00 O ATOM 321 NE2 GLN A 16 -2.661 0.659 12.406 1.00 0.00 N ATOM 0 H GLN A 16 -6.559 -0.186 9.713 1.00 0.00 H new ATOM 0 HA GLN A 16 -7.393 2.018 11.133 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.143 2.019 12.111 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -5.781 0.392 11.977 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -4.523 0.264 9.701 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.692 1.721 10.206 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.881 1.644 12.554 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.999 0.186 13.022 1.00 0.00 H new ATOM 330 N CYS A 17 -5.751 2.814 8.479 1.00 0.00 N ATOM 331 CA CYS A 17 -5.313 3.917 7.641 1.00 0.00 C ATOM 332 C CYS A 17 -6.237 3.992 6.424 1.00 0.00 C ATOM 333 O CYS A 17 -6.957 4.941 6.098 1.00 0.00 O ATOM 334 CB CYS A 17 -3.845 3.770 7.234 1.00 0.00 C ATOM 335 SG CYS A 17 -2.654 3.833 8.622 1.00 0.00 S ATOM 0 H CYS A 17 -5.754 1.904 8.019 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.375 4.850 8.202 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -3.721 2.822 6.710 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -3.598 4.561 6.526 1.00 0.00 H new ATOM 340 N HIS A 18 -6.244 2.865 5.625 1.00 0.00 N ATOM 341 CA HIS A 18 -6.763 2.850 4.244 1.00 0.00 C ATOM 342 C HIS A 18 -8.125 2.192 4.072 1.00 0.00 C ATOM 343 O HIS A 18 -8.583 1.337 4.828 1.00 0.00 O ATOM 344 CB HIS A 18 -5.847 2.015 3.337 1.00 0.00 C ATOM 345 CG HIS A 18 -4.405 2.386 3.118 1.00 0.00 C ATOM 346 ND1 HIS A 18 -4.009 3.267 2.176 1.00 0.00 N ATOM 347 CD2 HIS A 18 -3.258 1.907 3.720 1.00 0.00 C ATOM 348 CE1 HIS A 18 -2.764 3.374 2.216 1.00 0.00 C ATOM 349 NE2 HIS A 18 -2.208 2.524 3.131 1.00 0.00 N ATOM 0 H HIS A 18 -5.889 1.961 5.937 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.822 3.908 3.989 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.856 0.998 3.728 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.318 1.983 2.355 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -4.626 3.765 1.535 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.209 1.176 4.513 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -2.196 4.056 1.601 1.00 0.00 H new ATOM 357 N THR A 19 -8.755 2.670 3.009 1.00 0.00 N ATOM 358 CA THR A 19 -10.082 2.198 2.651 1.00 0.00 C ATOM 359 C THR A 19 -10.069 1.584 1.250 1.00 0.00 C ATOM 360 O THR A 19 -10.326 2.273 0.264 1.00 0.00 O ATOM 361 CB THR A 19 -11.054 3.371 2.792 1.00 0.00 C ATOM 362 OG1 THR A 19 -10.790 4.180 1.649 1.00 0.00 O ATOM 363 CG2 THR A 19 -10.712 4.276 3.977 1.00 0.00 C ATOM 0 H THR A 19 -8.371 3.379 2.384 1.00 0.00 H new ATOM 0 HA THR A 19 -10.412 1.401 3.317 1.00 0.00 H new ATOM 0 HB THR A 19 -12.068 2.990 2.908 1.00 0.00 H new ATOM 0 HG1 THR A 19 -11.041 3.691 0.837 1.00 0.00 H new ATOM 0 HG21 THR A 19 -11.433 5.092 4.031 1.00 0.00 H new ATOM 0 HG22 THR A 19 -10.749 3.697 4.900 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.710 4.685 3.845 1.00 0.00 H new ATOM 371 N VAL A 20 -9.768 0.294 1.207 1.00 0.00 N ATOM 372 CA VAL A 20 -9.719 -0.421 -0.057 1.00 0.00 C ATOM 373 C VAL A 20 -10.984 -0.113 -0.862 1.00 0.00 C ATOM 374 O VAL A 20 -10.933 0.000 -2.085 1.00 0.00 O ATOM 375 CB VAL A 20 -9.520 -1.916 0.195 1.00 0.00 C ATOM 376 CG1 VAL A 20 -10.555 -2.447 1.189 1.00 0.00 C ATOM 377 CG2 VAL A 20 -9.564 -2.704 -1.116 1.00 0.00 C ATOM 0 H VAL A 20 -9.556 -0.274 2.027 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.867 -0.089 -0.651 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.532 -2.053 0.635 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.391 -3.512 1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -10.455 -1.917 2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -11.557 -2.291 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.420 -3.764 -0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.531 -2.557 -1.597 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.772 -2.353 -1.778 1.00 0.00 H new ATOM 387 N GLU A 21 -12.089 0.013 -0.141 1.00 0.00 N ATOM 388 CA GLU A 21 -13.365 0.305 -0.773 1.00 0.00 C ATOM 389 C GLU A 21 -13.193 1.389 -1.839 1.00 0.00 C ATOM 390 O GLU A 21 -12.162 2.057 -1.890 1.00 0.00 O ATOM 391 CB GLU A 21 -14.409 0.718 0.267 1.00 0.00 C ATOM 392 CG GLU A 21 -14.381 -0.221 1.475 1.00 0.00 C ATOM 393 CD GLU A 21 -15.728 -0.221 2.200 1.00 0.00 C ATOM 394 OE1 GLU A 21 -16.755 -0.177 1.489 1.00 0.00 O ATOM 395 OE2 GLU A 21 -15.700 -0.265 3.449 1.00 0.00 O ATOM 0 H GLU A 21 -12.127 -0.082 0.874 1.00 0.00 H new ATOM 0 HA GLU A 21 -13.724 -0.602 -1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.219 1.741 0.592 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -15.401 0.707 -0.184 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -14.140 -1.233 1.148 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.594 0.088 2.163 1.00 0.00 H new ATOM 402 N LYS A 22 -14.221 1.531 -2.663 1.00 0.00 N ATOM 403 CA LYS A 22 -14.197 2.523 -3.725 1.00 0.00 C ATOM 404 C LYS A 22 -14.682 3.865 -3.174 1.00 0.00 C ATOM 405 O LYS A 22 -15.359 3.911 -2.148 1.00 0.00 O ATOM 406 CB LYS A 22 -14.993 2.031 -4.935 1.00 0.00 C ATOM 407 CG LYS A 22 -14.858 3.000 -6.111 1.00 0.00 C ATOM 408 CD LYS A 22 -15.537 2.442 -7.363 1.00 0.00 C ATOM 409 CE LYS A 22 -14.636 2.593 -8.590 1.00 0.00 C ATOM 410 NZ LYS A 22 -15.354 3.295 -9.677 1.00 0.00 N ATOM 0 H LYS A 22 -15.076 0.976 -2.617 1.00 0.00 H new ATOM 0 HA LYS A 22 -13.179 2.674 -4.083 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -14.639 1.043 -5.231 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.044 1.925 -4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -15.303 3.960 -5.849 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.803 3.183 -6.316 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.778 1.390 -7.212 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.479 2.963 -7.533 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -13.737 3.148 -8.322 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -14.313 1.611 -8.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.728 3.389 -10.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -16.199 2.750 -9.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.640 4.240 -9.350 1.00 0.00 H new ATOM 424 N GLY A 23 -14.318 4.925 -3.881 1.00 0.00 N ATOM 425 CA GLY A 23 -14.707 6.265 -3.475 1.00 0.00 C ATOM 426 C GLY A 23 -14.570 6.441 -1.961 1.00 0.00 C ATOM 427 O GLY A 23 -15.539 6.775 -1.281 1.00 0.00 O ATOM 0 H GLY A 23 -13.758 4.883 -4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -14.085 6.999 -3.988 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -15.738 6.455 -3.775 1.00 0.00 H new ATOM 431 N GLY A 24 -13.358 6.210 -1.479 1.00 0.00 N ATOM 432 CA GLY A 24 -13.081 6.339 -0.058 1.00 0.00 C ATOM 433 C GLY A 24 -12.386 7.667 0.246 1.00 0.00 C ATOM 434 O GLY A 24 -11.565 8.137 -0.540 1.00 0.00 O ATOM 0 H GLY A 24 -12.557 5.934 -2.047 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -14.012 6.274 0.505 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.452 5.512 0.270 1.00 0.00 H new ATOM 438 N PRO A 25 -12.750 8.251 1.419 1.00 0.00 N ATOM 439 CA PRO A 25 -12.171 9.516 1.838 1.00 0.00 C ATOM 440 C PRO A 25 -10.738 9.324 2.338 1.00 0.00 C ATOM 441 O PRO A 25 -10.496 8.536 3.251 1.00 0.00 O ATOM 442 CB PRO A 25 -13.109 10.043 2.911 1.00 0.00 C ATOM 443 CG PRO A 25 -13.918 8.845 3.382 1.00 0.00 C ATOM 444 CD PRO A 25 -13.720 7.724 2.375 1.00 0.00 C ATOM 0 HA PRO A 25 -12.084 10.230 1.019 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -12.550 10.485 3.736 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -13.760 10.822 2.513 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.592 8.530 4.373 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -14.974 9.105 3.462 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.349 6.819 2.857 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.657 7.462 1.884 1.00 0.00 H new ATOM 452 N HIS A 26 -9.825 10.059 1.719 1.00 0.00 N ATOM 453 CA HIS A 26 -8.423 9.979 2.090 1.00 0.00 C ATOM 454 C HIS A 26 -8.275 10.227 3.593 1.00 0.00 C ATOM 455 O HIS A 26 -8.585 11.312 4.080 1.00 0.00 O ATOM 456 CB HIS A 26 -7.582 10.939 1.246 1.00 0.00 C ATOM 457 CG HIS A 26 -7.719 10.728 -0.243 1.00 0.00 C ATOM 458 ND1 HIS A 26 -7.835 9.473 -0.815 1.00 0.00 N ATOM 459 CD2 HIS A 26 -7.759 11.625 -1.270 1.00 0.00 C ATOM 460 CE1 HIS A 26 -7.938 9.620 -2.128 1.00 0.00 C ATOM 461 NE2 HIS A 26 -7.890 10.954 -2.408 1.00 0.00 N ATOM 0 H HIS A 26 -10.030 10.713 0.963 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.045 8.978 1.883 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -7.868 11.963 1.485 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -6.534 10.828 1.524 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -7.695 12.699 -1.174 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -8.042 8.823 -2.850 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -7.946 11.368 -3.339 1.00 0.00 H new ATOM 469 N LYS A 27 -7.801 9.201 4.285 1.00 0.00 N ATOM 470 CA LYS A 27 -7.608 9.293 5.722 1.00 0.00 C ATOM 471 C LYS A 27 -6.112 9.403 6.026 1.00 0.00 C ATOM 472 O LYS A 27 -5.514 10.463 5.843 1.00 0.00 O ATOM 473 CB LYS A 27 -8.295 8.124 6.431 1.00 0.00 C ATOM 474 CG LYS A 27 -9.765 8.442 6.714 1.00 0.00 C ATOM 475 CD LYS A 27 -10.405 7.353 7.577 1.00 0.00 C ATOM 476 CE LYS A 27 -11.262 7.965 8.686 1.00 0.00 C ATOM 477 NZ LYS A 27 -11.789 6.908 9.578 1.00 0.00 N ATOM 0 H LYS A 27 -7.545 8.302 3.877 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.080 10.195 6.112 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.225 7.228 5.814 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.779 7.908 7.367 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.842 9.404 7.220 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.309 8.532 5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.020 6.704 6.953 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.627 6.728 8.016 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.668 8.673 9.263 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.088 8.525 8.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.368 7.341 10.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.373 6.247 9.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.997 6.392 10.010 1.00 0.00 H new ATOM 491 N VAL A 28 -5.551 8.294 6.484 1.00 0.00 N ATOM 492 CA VAL A 28 -4.137 8.252 6.815 1.00 0.00 C ATOM 493 C VAL A 28 -3.324 8.042 5.535 1.00 0.00 C ATOM 494 O VAL A 28 -2.241 8.605 5.384 1.00 0.00 O ATOM 495 CB VAL A 28 -3.878 7.177 7.871 1.00 0.00 C ATOM 496 CG1 VAL A 28 -2.385 7.069 8.190 1.00 0.00 C ATOM 497 CG2 VAL A 28 -4.691 7.446 9.139 1.00 0.00 C ATOM 0 H VAL A 28 -6.050 7.417 6.634 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.819 9.199 7.251 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.203 6.221 7.461 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.229 6.297 8.944 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.837 6.808 7.284 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.024 8.025 8.569 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.488 6.667 9.873 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.411 8.415 9.552 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.754 7.448 8.896 1.00 0.00 H new ATOM 507 N GLY A 29 -3.878 7.229 4.648 1.00 0.00 N ATOM 508 CA GLY A 29 -3.219 6.937 3.386 1.00 0.00 C ATOM 509 C GLY A 29 -4.197 7.057 2.216 1.00 0.00 C ATOM 510 O GLY A 29 -5.403 7.187 2.420 1.00 0.00 O ATOM 0 H GLY A 29 -4.776 6.763 4.778 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.385 7.624 3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -2.802 5.930 3.414 1.00 0.00 H new ATOM 514 N PRO A 30 -3.626 7.008 0.982 1.00 0.00 N ATOM 515 CA PRO A 30 -4.433 7.109 -0.221 1.00 0.00 C ATOM 516 C PRO A 30 -5.193 5.807 -0.483 1.00 0.00 C ATOM 517 O PRO A 30 -4.646 4.719 -0.308 1.00 0.00 O ATOM 518 CB PRO A 30 -3.450 7.456 -1.327 1.00 0.00 C ATOM 519 CG PRO A 30 -2.076 7.080 -0.796 1.00 0.00 C ATOM 520 CD PRO A 30 -2.201 6.855 0.702 1.00 0.00 C ATOM 0 HA PRO A 30 -5.209 7.870 -0.143 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.680 6.907 -2.240 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.497 8.517 -1.573 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.710 6.179 -1.288 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.356 7.872 -1.004 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -1.846 5.864 0.985 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -1.608 7.578 1.262 1.00 0.00 H new ATOM 528 N ASN A 31 -6.442 5.961 -0.898 1.00 0.00 N ATOM 529 CA ASN A 31 -7.282 4.811 -1.186 1.00 0.00 C ATOM 530 C ASN A 31 -6.446 3.735 -1.881 1.00 0.00 C ATOM 531 O ASN A 31 -5.435 4.041 -2.512 1.00 0.00 O ATOM 532 CB ASN A 31 -8.434 5.190 -2.117 1.00 0.00 C ATOM 533 CG ASN A 31 -9.787 4.905 -1.461 1.00 0.00 C ATOM 534 OD1 ASN A 31 -10.268 5.649 -0.623 1.00 0.00 O ATOM 535 ND2 ASN A 31 -10.370 3.788 -1.887 1.00 0.00 N ATOM 0 H ASN A 31 -6.892 6.865 -1.042 1.00 0.00 H new ATOM 0 HA ASN A 31 -7.687 4.445 -0.243 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.366 6.247 -2.374 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -8.353 4.630 -3.049 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.275 3.509 -1.509 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.912 3.210 -2.592 1.00 0.00 H new ATOM 542 N LEU A 32 -6.898 2.497 -1.743 1.00 0.00 N ATOM 543 CA LEU A 32 -6.204 1.374 -2.351 1.00 0.00 C ATOM 544 C LEU A 32 -7.209 0.516 -3.121 1.00 0.00 C ATOM 545 O LEU A 32 -7.269 -0.698 -2.930 1.00 0.00 O ATOM 546 CB LEU A 32 -5.414 0.598 -1.295 1.00 0.00 C ATOM 547 CG LEU A 32 -4.405 1.410 -0.481 1.00 0.00 C ATOM 548 CD1 LEU A 32 -3.833 0.579 0.670 1.00 0.00 C ATOM 549 CD2 LEU A 32 -3.305 1.978 -1.379 1.00 0.00 C ATOM 0 H LEU A 32 -7.737 2.247 -1.219 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.467 1.726 -3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.122 0.139 -0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.881 -0.213 -1.792 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.928 2.258 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.118 1.180 1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.642 0.265 1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.330 -0.301 0.269 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.602 2.551 -0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.779 1.160 -1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.750 2.629 -2.132 1.00 0.00 H new ATOM 561 N HIS A 33 -7.973 1.180 -3.976 1.00 0.00 N ATOM 562 CA HIS A 33 -8.972 0.493 -4.777 1.00 0.00 C ATOM 563 C HIS A 33 -8.293 -0.568 -5.645 1.00 0.00 C ATOM 564 O HIS A 33 -7.488 -1.357 -5.153 1.00 0.00 O ATOM 565 CB HIS A 33 -9.794 1.491 -5.594 1.00 0.00 C ATOM 566 CG HIS A 33 -11.110 0.942 -6.091 1.00 0.00 C ATOM 567 ND1 HIS A 33 -11.580 -0.311 -5.739 1.00 0.00 N ATOM 568 CD2 HIS A 33 -12.049 1.488 -6.915 1.00 0.00 C ATOM 569 CE1 HIS A 33 -12.750 -0.500 -6.331 1.00 0.00 C ATOM 570 NE2 HIS A 33 -13.039 0.616 -7.060 1.00 0.00 N ATOM 0 H HIS A 33 -7.920 2.187 -4.132 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.677 -0.020 -4.123 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.987 2.373 -4.983 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.203 1.819 -6.449 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -11.106 -0.976 -5.128 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -11.996 2.465 -7.372 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -13.367 -1.383 -6.251 1.00 0.00 H new ATOM 578 N GLY A 34 -8.642 -0.553 -6.923 1.00 0.00 N ATOM 579 CA GLY A 34 -8.077 -1.503 -7.865 1.00 0.00 C ATOM 580 C GLY A 34 -6.663 -1.090 -8.280 1.00 0.00 C ATOM 581 O GLY A 34 -6.381 -0.936 -9.467 1.00 0.00 O ATOM 0 H GLY A 34 -9.310 0.103 -7.328 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.052 -2.496 -7.415 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.714 -1.568 -8.747 1.00 0.00 H new ATOM 585 N ILE A 35 -5.813 -0.921 -7.278 1.00 0.00 N ATOM 586 CA ILE A 35 -4.436 -0.528 -7.524 1.00 0.00 C ATOM 587 C ILE A 35 -3.753 -1.589 -8.389 1.00 0.00 C ATOM 588 O ILE A 35 -4.412 -2.281 -9.164 1.00 0.00 O ATOM 589 CB ILE A 35 -3.713 -0.253 -6.204 1.00 0.00 C ATOM 590 CG1 ILE A 35 -3.488 -1.549 -5.422 1.00 0.00 C ATOM 591 CG2 ILE A 35 -4.463 0.793 -5.376 1.00 0.00 C ATOM 592 CD1 ILE A 35 -4.439 -1.641 -4.227 1.00 0.00 C ATOM 0 H ILE A 35 -6.051 -1.049 -6.294 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.402 0.408 -8.081 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.731 0.160 -6.432 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.640 -2.405 -6.079 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.456 -1.593 -5.074 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.928 0.970 -4.443 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.529 1.724 -5.939 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -5.467 0.431 -5.156 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.258 -2.571 -3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.268 -0.796 -3.560 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.470 -1.621 -4.580 1.00 0.00 H new ATOM 604 N PHE A 36 -2.442 -1.686 -8.227 1.00 0.00 N ATOM 605 CA PHE A 36 -1.663 -2.651 -8.983 1.00 0.00 C ATOM 606 C PHE A 36 -1.857 -2.454 -10.488 1.00 0.00 C ATOM 607 O PHE A 36 -2.959 -2.633 -11.004 1.00 0.00 O ATOM 608 CB PHE A 36 -2.173 -4.041 -8.593 1.00 0.00 C ATOM 609 CG PHE A 36 -1.593 -4.570 -7.280 1.00 0.00 C ATOM 610 CD1 PHE A 36 -1.272 -3.706 -6.281 1.00 0.00 C ATOM 611 CD2 PHE A 36 -1.398 -5.906 -7.113 1.00 0.00 C ATOM 612 CE1 PHE A 36 -0.734 -4.198 -5.062 1.00 0.00 C ATOM 613 CE2 PHE A 36 -0.860 -6.398 -5.894 1.00 0.00 C ATOM 614 CZ PHE A 36 -0.539 -5.533 -4.895 1.00 0.00 C ATOM 0 H PHE A 36 -1.899 -1.111 -7.582 1.00 0.00 H new ATOM 0 HA PHE A 36 -0.603 -2.529 -8.761 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.259 -4.009 -8.512 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.934 -4.742 -9.393 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -1.426 -2.645 -6.414 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.652 -6.592 -7.907 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.480 -3.512 -4.268 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.706 -7.459 -5.761 1.00 0.00 H new ATOM 0 HZ PHE A 36 -0.129 -5.907 -3.968 1.00 0.00 H new ATOM 624 N GLY A 37 -0.768 -2.088 -11.149 1.00 0.00 N ATOM 625 CA GLY A 37 -0.805 -1.864 -12.584 1.00 0.00 C ATOM 626 C GLY A 37 -0.531 -0.396 -12.917 1.00 0.00 C ATOM 627 O GLY A 37 -0.937 0.091 -13.971 1.00 0.00 O ATOM 0 H GLY A 37 0.144 -1.941 -10.717 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.064 -2.496 -13.074 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.780 -2.154 -12.976 1.00 0.00 H new ATOM 631 N ARG A 38 0.156 0.268 -11.999 1.00 0.00 N ATOM 632 CA ARG A 38 0.489 1.670 -12.182 1.00 0.00 C ATOM 633 C ARG A 38 1.815 1.996 -11.492 1.00 0.00 C ATOM 634 O ARG A 38 2.492 1.101 -10.987 1.00 0.00 O ATOM 635 CB ARG A 38 -0.608 2.575 -11.617 1.00 0.00 C ATOM 636 CG ARG A 38 -1.752 2.742 -12.620 1.00 0.00 C ATOM 637 CD ARG A 38 -1.366 3.717 -13.734 1.00 0.00 C ATOM 638 NE ARG A 38 -2.342 3.630 -14.843 1.00 0.00 N ATOM 639 CZ ARG A 38 -2.268 2.740 -15.842 1.00 0.00 C ATOM 640 NH1 ARG A 38 -1.262 1.856 -15.878 1.00 0.00 N ATOM 641 NH2 ARG A 38 -3.199 2.735 -16.806 1.00 0.00 N ATOM 0 H ARG A 38 0.491 -0.139 -11.126 1.00 0.00 H new ATOM 0 HA ARG A 38 0.579 1.852 -13.253 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.992 2.151 -10.689 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.189 3.551 -11.372 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.007 1.774 -13.051 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -2.641 3.106 -12.105 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.336 4.734 -13.344 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.366 3.486 -14.100 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.120 4.289 -14.847 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.553 1.861 -15.145 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.205 1.178 -16.638 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.964 3.409 -16.779 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.142 2.057 -17.566 1.00 0.00 H new ATOM 655 N HIS A 39 2.145 3.279 -11.491 1.00 0.00 N ATOM 656 CA HIS A 39 3.378 3.733 -10.870 1.00 0.00 C ATOM 657 C HIS A 39 3.060 4.426 -9.544 1.00 0.00 C ATOM 658 O HIS A 39 1.930 4.860 -9.321 1.00 0.00 O ATOM 659 CB HIS A 39 4.173 4.623 -11.828 1.00 0.00 C ATOM 660 CG HIS A 39 5.039 3.859 -12.800 1.00 0.00 C ATOM 661 ND1 HIS A 39 4.860 3.918 -14.171 1.00 0.00 N ATOM 662 CD2 HIS A 39 6.092 3.019 -12.586 1.00 0.00 C ATOM 663 CE1 HIS A 39 5.769 3.144 -14.746 1.00 0.00 C ATOM 664 NE2 HIS A 39 6.531 2.587 -13.762 1.00 0.00 N ATOM 0 H HIS A 39 1.581 4.018 -11.910 1.00 0.00 H new ATOM 0 HA HIS A 39 4.015 2.876 -10.649 1.00 0.00 H new ATOM 0 HB2 HIS A 39 3.478 5.247 -12.390 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.804 5.294 -11.245 1.00 0.00 H new ATOM 0 HD2 HIS A 39 6.500 2.751 -11.623 1.00 0.00 H new ATOM 0 HE1 HIS A 39 5.886 2.983 -15.807 1.00 0.00 H new ATOM 0 HE2 HIS A 39 7.310 1.944 -13.906 1.00 0.00 H new ATOM 672 N SER A 40 4.076 4.510 -8.698 1.00 0.00 N ATOM 673 CA SER A 40 3.919 5.143 -7.399 1.00 0.00 C ATOM 674 C SER A 40 3.022 6.376 -7.524 1.00 0.00 C ATOM 675 O SER A 40 3.229 7.212 -8.401 1.00 0.00 O ATOM 676 CB SER A 40 5.276 5.530 -6.808 1.00 0.00 C ATOM 677 OG SER A 40 5.667 6.847 -7.187 1.00 0.00 O ATOM 0 H SER A 40 5.012 4.150 -8.887 1.00 0.00 H new ATOM 0 HA SER A 40 3.450 4.428 -6.723 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.230 5.464 -5.721 1.00 0.00 H new ATOM 0 HB3 SER A 40 6.032 4.818 -7.139 1.00 0.00 H new ATOM 0 HG SER A 40 6.181 6.809 -8.021 1.00 0.00 H new ATOM 683 N GLY A 41 2.045 6.450 -6.632 1.00 0.00 N ATOM 684 CA GLY A 41 1.115 7.567 -6.631 1.00 0.00 C ATOM 685 C GLY A 41 -0.116 7.256 -7.484 1.00 0.00 C ATOM 686 O GLY A 41 -0.161 7.601 -8.664 1.00 0.00 O ATOM 0 H GLY A 41 1.877 5.755 -5.905 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.807 7.788 -5.609 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.611 8.459 -7.014 1.00 0.00 H new ATOM 690 N GLN A 42 -1.085 6.609 -6.854 1.00 0.00 N ATOM 691 CA GLN A 42 -2.314 6.248 -7.541 1.00 0.00 C ATOM 692 C GLN A 42 -3.462 7.148 -7.081 1.00 0.00 C ATOM 693 O GLN A 42 -4.619 6.730 -7.076 1.00 0.00 O ATOM 694 CB GLN A 42 -2.652 4.772 -7.321 1.00 0.00 C ATOM 695 CG GLN A 42 -1.861 3.880 -8.281 1.00 0.00 C ATOM 696 CD GLN A 42 -2.571 2.541 -8.495 1.00 0.00 C ATOM 697 OE1 GLN A 42 -3.787 2.449 -8.505 1.00 0.00 O ATOM 698 NE2 GLN A 42 -1.745 1.513 -8.665 1.00 0.00 N ATOM 0 H GLN A 42 -1.044 6.325 -5.875 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.167 6.397 -8.611 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -2.428 4.493 -6.291 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.720 4.614 -7.468 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.738 4.388 -9.238 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -0.862 3.706 -7.882 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.736 1.661 -8.645 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.120 0.577 -8.815 1.00 0.00 H new ATOM 707 N ALA A 43 -3.103 8.367 -6.706 1.00 0.00 N ATOM 708 CA ALA A 43 -4.090 9.329 -6.246 1.00 0.00 C ATOM 709 C ALA A 43 -3.591 10.745 -6.540 1.00 0.00 C ATOM 710 O ALA A 43 -2.489 11.115 -6.139 1.00 0.00 O ATOM 711 CB ALA A 43 -4.365 9.106 -4.757 1.00 0.00 C ATOM 0 H ALA A 43 -2.143 8.710 -6.711 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.033 9.194 -6.776 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.105 9.828 -4.412 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.744 8.096 -4.604 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.441 9.236 -4.193 1.00 0.00 H new ATOM 717 N GLU A 44 -4.426 11.499 -7.240 1.00 0.00 N ATOM 718 CA GLU A 44 -4.084 12.866 -7.593 1.00 0.00 C ATOM 719 C GLU A 44 -4.556 13.830 -6.503 1.00 0.00 C ATOM 720 O GLU A 44 -3.826 14.742 -6.117 1.00 0.00 O ATOM 721 CB GLU A 44 -4.673 13.245 -8.953 1.00 0.00 C ATOM 722 CG GLU A 44 -3.714 12.879 -10.088 1.00 0.00 C ATOM 723 CD GLU A 44 -3.155 14.135 -10.759 1.00 0.00 C ATOM 724 OE1 GLU A 44 -2.500 14.920 -10.040 1.00 0.00 O ATOM 725 OE2 GLU A 44 -3.394 14.282 -11.977 1.00 0.00 O ATOM 0 H GLU A 44 -5.339 11.189 -7.572 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.999 12.940 -7.671 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.624 12.733 -9.097 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.880 14.315 -8.978 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -2.895 12.276 -9.697 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.234 12.269 -10.826 1.00 0.00 H new ATOM 732 N GLY A 45 -5.774 13.596 -6.038 1.00 0.00 N ATOM 733 CA GLY A 45 -6.353 14.432 -5.000 1.00 0.00 C ATOM 734 C GLY A 45 -5.502 14.395 -3.728 1.00 0.00 C ATOM 735 O GLY A 45 -5.323 15.417 -3.067 1.00 0.00 O ATOM 0 H GLY A 45 -6.376 12.839 -6.361 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.434 15.458 -5.358 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.364 14.092 -4.776 1.00 0.00 H new ATOM 739 N TYR A 46 -5.000 13.207 -3.425 1.00 0.00 N ATOM 740 CA TYR A 46 -4.173 13.024 -2.245 1.00 0.00 C ATOM 741 C TYR A 46 -2.726 13.442 -2.519 1.00 0.00 C ATOM 742 O TYR A 46 -2.098 12.943 -3.451 1.00 0.00 O ATOM 743 CB TYR A 46 -4.208 11.526 -1.934 1.00 0.00 C ATOM 744 CG TYR A 46 -3.871 11.184 -0.481 1.00 0.00 C ATOM 745 CD1 TYR A 46 -2.768 11.751 0.124 1.00 0.00 C ATOM 746 CD2 TYR A 46 -4.672 10.309 0.225 1.00 0.00 C ATOM 747 CE1 TYR A 46 -2.451 11.429 1.491 1.00 0.00 C ATOM 748 CE2 TYR A 46 -4.355 9.987 1.593 1.00 0.00 C ATOM 749 CZ TYR A 46 -3.260 10.563 2.158 1.00 0.00 C ATOM 750 OH TYR A 46 -2.961 10.259 3.449 1.00 0.00 O ATOM 0 H TYR A 46 -5.150 12.362 -3.976 1.00 0.00 H new ATOM 0 HA TYR A 46 -4.543 13.632 -1.419 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.201 11.140 -2.166 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.505 11.013 -2.590 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -2.142 12.437 -0.428 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.536 9.866 -0.248 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.590 11.865 1.976 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.973 9.304 2.157 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.760 10.370 4.005 1.00 0.00 H new ATOM 760 N SER A 47 -2.240 14.353 -1.689 1.00 0.00 N ATOM 761 CA SER A 47 -0.880 14.844 -1.830 1.00 0.00 C ATOM 762 C SER A 47 0.104 13.835 -1.235 1.00 0.00 C ATOM 763 O SER A 47 0.052 13.541 -0.042 1.00 0.00 O ATOM 764 CB SER A 47 -0.714 16.208 -1.157 1.00 0.00 C ATOM 765 OG SER A 47 -0.469 16.087 0.241 1.00 0.00 O ATOM 0 H SER A 47 -2.764 14.764 -0.916 1.00 0.00 H new ATOM 0 HA SER A 47 -0.668 14.966 -2.892 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.111 16.745 -1.625 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.613 16.803 -1.317 1.00 0.00 H new ATOM 0 HG SER A 47 -0.548 15.147 0.507 1.00 0.00 H new ATOM 771 N TYR A 48 0.980 13.334 -2.094 1.00 0.00 N ATOM 772 CA TYR A 48 1.975 12.364 -1.668 1.00 0.00 C ATOM 773 C TYR A 48 3.284 13.055 -1.282 1.00 0.00 C ATOM 774 O TYR A 48 3.405 14.274 -1.402 1.00 0.00 O ATOM 775 CB TYR A 48 2.227 11.460 -2.877 1.00 0.00 C ATOM 776 CG TYR A 48 1.235 10.302 -3.006 1.00 0.00 C ATOM 777 CD1 TYR A 48 -0.122 10.550 -2.981 1.00 0.00 C ATOM 778 CD2 TYR A 48 1.698 9.010 -3.147 1.00 0.00 C ATOM 779 CE1 TYR A 48 -1.056 9.460 -3.102 1.00 0.00 C ATOM 780 CE2 TYR A 48 0.765 7.920 -3.268 1.00 0.00 C ATOM 781 CZ TYR A 48 -0.566 8.199 -3.240 1.00 0.00 C ATOM 782 OH TYR A 48 -1.448 7.170 -3.354 1.00 0.00 O ATOM 0 H TYR A 48 1.021 13.582 -3.083 1.00 0.00 H new ATOM 0 HA TYR A 48 1.623 11.810 -0.798 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.185 12.063 -3.784 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.237 11.054 -2.810 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.484 11.562 -2.871 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.760 8.816 -3.167 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -2.121 9.640 -3.084 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.114 6.904 -3.378 1.00 0.00 H new ATOM 0 HH TYR A 48 -1.105 6.515 -3.998 1.00 0.00 H new ATOM 792 N THR A 49 4.230 12.248 -0.825 1.00 0.00 N ATOM 793 CA THR A 49 5.525 12.767 -0.420 1.00 0.00 C ATOM 794 C THR A 49 6.516 12.695 -1.584 1.00 0.00 C ATOM 795 O THR A 49 6.171 12.231 -2.670 1.00 0.00 O ATOM 796 CB THR A 49 5.981 11.988 0.815 1.00 0.00 C ATOM 797 OG1 THR A 49 6.113 10.647 0.351 1.00 0.00 O ATOM 798 CG2 THR A 49 4.895 11.906 1.889 1.00 0.00 C ATOM 0 H THR A 49 4.125 11.238 -0.726 1.00 0.00 H new ATOM 0 HA THR A 49 5.462 13.822 -0.152 1.00 0.00 H new ATOM 0 HB THR A 49 6.870 12.459 1.233 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.672 10.138 0.975 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.270 11.343 2.744 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.623 12.912 2.208 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.017 11.405 1.481 1.00 0.00 H new ATOM 806 N ASP A 50 7.727 13.161 -1.317 1.00 0.00 N ATOM 807 CA ASP A 50 8.771 13.155 -2.328 1.00 0.00 C ATOM 808 C ASP A 50 9.586 11.866 -2.207 1.00 0.00 C ATOM 809 O ASP A 50 10.730 11.807 -2.653 1.00 0.00 O ATOM 810 CB ASP A 50 9.724 14.337 -2.142 1.00 0.00 C ATOM 811 CG ASP A 50 9.709 15.365 -3.275 1.00 0.00 C ATOM 812 OD1 ASP A 50 8.613 15.910 -3.531 1.00 0.00 O ATOM 813 OD2 ASP A 50 10.792 15.583 -3.859 1.00 0.00 O ATOM 0 H ASP A 50 8.009 13.545 -0.415 1.00 0.00 H new ATOM 0 HA ASP A 50 8.294 13.227 -3.305 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.474 14.843 -1.210 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.738 13.953 -2.034 1.00 0.00 H new ATOM 818 N ALA A 51 8.963 10.865 -1.602 1.00 0.00 N ATOM 819 CA ALA A 51 9.617 9.581 -1.416 1.00 0.00 C ATOM 820 C ALA A 51 9.042 8.572 -2.413 1.00 0.00 C ATOM 821 O ALA A 51 9.762 8.064 -3.272 1.00 0.00 O ATOM 822 CB ALA A 51 9.447 9.127 0.035 1.00 0.00 C ATOM 0 H ALA A 51 8.013 10.917 -1.235 1.00 0.00 H new ATOM 0 HA ALA A 51 10.687 9.663 -1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 51 9.938 8.164 0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.896 9.863 0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 51 8.386 9.030 0.264 1.00 0.00 H new ATOM 828 N ASN A 52 7.751 8.313 -2.266 1.00 0.00 N ATOM 829 CA ASN A 52 7.072 7.375 -3.143 1.00 0.00 C ATOM 830 C ASN A 52 7.142 7.887 -4.583 1.00 0.00 C ATOM 831 O ASN A 52 7.787 7.275 -5.433 1.00 0.00 O ATOM 832 CB ASN A 52 5.597 7.234 -2.762 1.00 0.00 C ATOM 833 CG ASN A 52 4.987 5.977 -3.387 1.00 0.00 C ATOM 834 OD1 ASN A 52 5.646 4.972 -3.593 1.00 0.00 O ATOM 835 ND2 ASN A 52 3.693 6.091 -3.676 1.00 0.00 N ATOM 0 H ASN A 52 7.157 8.736 -1.553 1.00 0.00 H new ATOM 0 HA ASN A 52 7.563 6.407 -3.047 1.00 0.00 H new ATOM 0 HB2 ASN A 52 5.501 7.189 -1.677 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.046 8.114 -3.094 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.193 5.307 -4.096 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.201 6.962 -3.477 1.00 0.00 H new ATOM 842 N ILE A 53 6.468 9.004 -4.813 1.00 0.00 N ATOM 843 CA ILE A 53 6.445 9.606 -6.136 1.00 0.00 C ATOM 844 C ILE A 53 7.855 9.573 -6.730 1.00 0.00 C ATOM 845 O ILE A 53 8.024 9.318 -7.922 1.00 0.00 O ATOM 846 CB ILE A 53 5.835 11.007 -6.076 1.00 0.00 C ATOM 847 CG1 ILE A 53 4.324 10.939 -5.844 1.00 0.00 C ATOM 848 CG2 ILE A 53 6.186 11.812 -7.330 1.00 0.00 C ATOM 849 CD1 ILE A 53 3.745 12.331 -5.584 1.00 0.00 C ATOM 0 H ILE A 53 5.933 9.508 -4.106 1.00 0.00 H new ATOM 0 HA ILE A 53 5.803 9.033 -6.805 1.00 0.00 H new ATOM 0 HB ILE A 53 6.268 11.531 -5.224 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.839 10.496 -6.714 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.112 10.289 -4.995 1.00 0.00 H new ATOM 0 HG21 ILE A 53 5.740 12.804 -7.262 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.269 11.906 -7.411 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.799 11.300 -8.211 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.670 12.253 -5.422 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.215 12.761 -4.699 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.937 12.972 -6.445 1.00 0.00 H new ATOM 861 N LYS A 54 8.830 9.835 -5.873 1.00 0.00 N ATOM 862 CA LYS A 54 10.219 9.839 -6.298 1.00 0.00 C ATOM 863 C LYS A 54 10.782 8.420 -6.200 1.00 0.00 C ATOM 864 O LYS A 54 11.877 8.217 -5.677 1.00 0.00 O ATOM 865 CB LYS A 54 11.020 10.874 -5.506 1.00 0.00 C ATOM 866 CG LYS A 54 10.397 12.266 -5.636 1.00 0.00 C ATOM 867 CD LYS A 54 10.925 12.989 -6.877 1.00 0.00 C ATOM 868 CE LYS A 54 10.454 14.444 -6.905 1.00 0.00 C ATOM 869 NZ LYS A 54 9.223 14.575 -7.715 1.00 0.00 N ATOM 0 H LYS A 54 8.686 10.046 -4.886 1.00 0.00 H new ATOM 0 HA LYS A 54 10.296 10.142 -7.342 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.057 10.585 -4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.048 10.897 -5.866 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.312 12.179 -5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.621 12.853 -4.746 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.014 12.955 -6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.583 12.475 -7.775 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.266 14.791 -5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.238 15.078 -7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.917 15.569 -7.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.413 14.263 -8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.472 13.985 -7.303 1.00 0.00 H new ATOM 883 N LYS A 55 10.009 7.474 -6.712 1.00 0.00 N ATOM 884 CA LYS A 55 10.416 6.079 -6.688 1.00 0.00 C ATOM 885 C LYS A 55 10.061 5.425 -8.025 1.00 0.00 C ATOM 886 O LYS A 55 10.888 4.740 -8.624 1.00 0.00 O ATOM 887 CB LYS A 55 9.815 5.366 -5.475 1.00 0.00 C ATOM 888 CG LYS A 55 10.655 4.148 -5.084 1.00 0.00 C ATOM 889 CD LYS A 55 11.979 4.576 -4.448 1.00 0.00 C ATOM 890 CE LYS A 55 13.124 3.669 -4.902 1.00 0.00 C ATOM 891 NZ LYS A 55 12.905 2.283 -4.433 1.00 0.00 N ATOM 0 H LYS A 55 9.102 7.646 -7.146 1.00 0.00 H new ATOM 0 HA LYS A 55 11.497 6.000 -6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.757 6.057 -4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.796 5.052 -5.701 1.00 0.00 H new ATOM 0 HG2 LYS A 55 10.096 3.526 -4.385 1.00 0.00 H new ATOM 0 HG3 LYS A 55 10.851 3.539 -5.966 1.00 0.00 H new ATOM 0 HD2 LYS A 55 12.199 5.609 -4.718 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.892 4.542 -3.362 1.00 0.00 H new ATOM 0 HE2 LYS A 55 13.198 3.684 -5.989 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.070 4.046 -4.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.650 2.024 -3.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 11.976 2.216 -3.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.935 1.633 -5.244 1.00 0.00 H new ATOM 905 N ASN A 56 8.829 5.660 -8.453 1.00 0.00 N ATOM 906 CA ASN A 56 8.353 5.103 -9.707 1.00 0.00 C ATOM 907 C ASN A 56 8.206 3.587 -9.564 1.00 0.00 C ATOM 908 O ASN A 56 8.413 2.846 -10.523 1.00 0.00 O ATOM 909 CB ASN A 56 9.343 5.376 -10.841 1.00 0.00 C ATOM 910 CG ASN A 56 8.621 5.892 -12.088 1.00 0.00 C ATOM 911 OD1 ASN A 56 8.568 5.243 -13.119 1.00 0.00 O ATOM 912 ND2 ASN A 56 8.069 7.092 -11.935 1.00 0.00 N ATOM 0 H ASN A 56 8.146 6.229 -7.953 1.00 0.00 H new ATOM 0 HA ASN A 56 7.396 5.570 -9.942 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.082 6.108 -10.515 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.885 4.462 -11.083 1.00 0.00 H new ATOM 0 HD21 ASN A 56 7.563 7.523 -12.709 1.00 0.00 H new ATOM 0 HD22 ASN A 56 8.151 7.581 -11.044 1.00 0.00 H new ATOM 919 N VAL A 57 7.849 3.171 -8.357 1.00 0.00 N ATOM 920 CA VAL A 57 7.672 1.757 -8.075 1.00 0.00 C ATOM 921 C VAL A 57 6.372 1.272 -8.720 1.00 0.00 C ATOM 922 O VAL A 57 5.292 1.450 -8.158 1.00 0.00 O ATOM 923 CB VAL A 57 7.717 1.514 -6.565 1.00 0.00 C ATOM 924 CG1 VAL A 57 6.458 2.055 -5.885 1.00 0.00 C ATOM 925 CG2 VAL A 57 7.914 0.029 -6.254 1.00 0.00 C ATOM 0 H VAL A 57 7.678 3.789 -7.564 1.00 0.00 H new ATOM 0 HA VAL A 57 8.487 1.177 -8.508 1.00 0.00 H new ATOM 0 HB VAL A 57 8.573 2.056 -6.164 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.515 1.869 -4.812 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.380 3.127 -6.064 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.580 1.554 -6.293 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.942 -0.116 -5.174 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.088 -0.544 -6.675 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.852 -0.313 -6.691 1.00 0.00 H new ATOM 935 N LEU A 58 6.518 0.668 -9.890 1.00 0.00 N ATOM 936 CA LEU A 58 5.369 0.157 -10.617 1.00 0.00 C ATOM 937 C LEU A 58 4.701 -0.948 -9.796 1.00 0.00 C ATOM 938 O LEU A 58 5.263 -2.030 -9.632 1.00 0.00 O ATOM 939 CB LEU A 58 5.777 -0.284 -12.024 1.00 0.00 C ATOM 940 CG LEU A 58 4.633 -0.526 -13.011 1.00 0.00 C ATOM 941 CD1 LEU A 58 4.285 0.756 -13.770 1.00 0.00 C ATOM 942 CD2 LEU A 58 4.960 -1.682 -13.957 1.00 0.00 C ATOM 0 H LEU A 58 7.415 0.521 -10.353 1.00 0.00 H new ATOM 0 HA LEU A 58 4.627 0.943 -10.757 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.438 0.475 -12.444 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.359 -1.202 -11.941 1.00 0.00 H new ATOM 0 HG LEU A 58 3.748 -0.816 -12.445 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.469 0.557 -14.465 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.979 1.526 -13.062 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.159 1.099 -14.324 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.130 -1.833 -14.648 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.863 -1.447 -14.520 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.120 -2.592 -13.378 1.00 0.00 H new ATOM 954 N TRP A 59 3.512 -0.638 -9.301 1.00 0.00 N ATOM 955 CA TRP A 59 2.763 -1.591 -8.500 1.00 0.00 C ATOM 956 C TRP A 59 2.274 -2.706 -9.427 1.00 0.00 C ATOM 957 O TRP A 59 1.585 -2.442 -10.411 1.00 0.00 O ATOM 958 CB TRP A 59 1.625 -0.899 -7.746 1.00 0.00 C ATOM 959 CG TRP A 59 2.078 0.282 -6.885 1.00 0.00 C ATOM 960 CD1 TRP A 59 1.622 1.542 -6.908 1.00 0.00 C ATOM 961 CD2 TRP A 59 3.099 0.261 -5.866 1.00 0.00 C ATOM 962 NE1 TRP A 59 2.273 2.332 -5.982 1.00 0.00 N ATOM 963 CE2 TRP A 59 3.199 1.529 -5.328 1.00 0.00 C ATOM 964 CE3 TRP A 59 3.911 -0.793 -5.412 1.00 0.00 C ATOM 965 CZ2 TRP A 59 4.100 1.860 -4.309 1.00 0.00 C ATOM 966 CZ3 TRP A 59 4.806 -0.446 -4.393 1.00 0.00 C ATOM 967 CH2 TRP A 59 4.919 0.825 -3.842 1.00 0.00 C ATOM 0 H TRP A 59 3.049 0.260 -9.439 1.00 0.00 H new ATOM 0 HA TRP A 59 3.397 -2.031 -7.730 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.886 -0.548 -8.466 1.00 0.00 H new ATOM 0 HB3 TRP A 59 1.127 -1.630 -7.109 1.00 0.00 H new ATOM 0 HD1 TRP A 59 0.843 1.895 -7.568 1.00 0.00 H new ATOM 0 HE1 TRP A 59 2.105 3.323 -5.810 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.849 -1.792 -5.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 4.160 2.860 -3.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 5.454 -1.220 -4.008 1.00 0.00 H new ATOM 0 HH2 TRP A 59 5.636 1.013 -3.057 1.00 0.00 H new ATOM 978 N ASP A 60 2.651 -3.928 -9.080 1.00 0.00 N ATOM 979 CA ASP A 60 2.260 -5.084 -9.869 1.00 0.00 C ATOM 980 C ASP A 60 1.612 -6.125 -8.953 1.00 0.00 C ATOM 981 O ASP A 60 0.405 -6.350 -9.020 1.00 0.00 O ATOM 982 CB ASP A 60 3.474 -5.731 -10.536 1.00 0.00 C ATOM 983 CG ASP A 60 3.170 -6.990 -11.350 1.00 0.00 C ATOM 984 OD1 ASP A 60 2.462 -7.863 -10.803 1.00 0.00 O ATOM 985 OD2 ASP A 60 3.652 -7.052 -12.502 1.00 0.00 O ATOM 0 H ASP A 60 3.223 -4.143 -8.263 1.00 0.00 H new ATOM 0 HA ASP A 60 1.563 -4.749 -10.637 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.944 -4.997 -11.191 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.202 -5.982 -9.765 1.00 0.00 H new ATOM 990 N GLU A 61 2.444 -6.731 -8.119 1.00 0.00 N ATOM 991 CA GLU A 61 1.968 -7.743 -7.192 1.00 0.00 C ATOM 992 C GLU A 61 3.118 -8.245 -6.316 1.00 0.00 C ATOM 993 O GLU A 61 2.929 -8.515 -5.131 1.00 0.00 O ATOM 994 CB GLU A 61 1.301 -8.901 -7.938 1.00 0.00 C ATOM 995 CG GLU A 61 0.526 -9.801 -6.973 1.00 0.00 C ATOM 996 CD GLU A 61 0.250 -11.168 -7.601 1.00 0.00 C ATOM 997 OE1 GLU A 61 -0.491 -11.191 -8.608 1.00 0.00 O ATOM 998 OE2 GLU A 61 0.786 -12.160 -7.061 1.00 0.00 O ATOM 0 H GLU A 61 3.445 -6.541 -8.066 1.00 0.00 H new ATOM 0 HA GLU A 61 1.216 -7.290 -6.546 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.625 -8.508 -8.697 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.058 -9.487 -8.459 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.095 -9.928 -6.052 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.416 -9.324 -6.702 1.00 0.00 H new ATOM 1005 N ASN A 62 4.285 -8.354 -6.934 1.00 0.00 N ATOM 1006 CA ASN A 62 5.466 -8.819 -6.227 1.00 0.00 C ATOM 1007 C ASN A 62 6.206 -7.618 -5.634 1.00 0.00 C ATOM 1008 O ASN A 62 6.340 -7.506 -4.417 1.00 0.00 O ATOM 1009 CB ASN A 62 6.425 -9.545 -7.172 1.00 0.00 C ATOM 1010 CG ASN A 62 5.993 -10.998 -7.382 1.00 0.00 C ATOM 1011 OD1 ASN A 62 6.802 -11.894 -7.558 1.00 0.00 O ATOM 1012 ND2 ASN A 62 4.676 -11.180 -7.353 1.00 0.00 N ATOM 0 H ASN A 62 4.438 -8.128 -7.917 1.00 0.00 H new ATOM 0 HA ASN A 62 5.142 -9.506 -5.445 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.456 -9.029 -8.132 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.435 -9.518 -6.763 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.287 -12.114 -7.483 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.055 -10.386 -7.201 1.00 0.00 H new ATOM 1019 N ASN A 63 6.665 -6.749 -6.523 1.00 0.00 N ATOM 1020 CA ASN A 63 7.388 -5.560 -6.104 1.00 0.00 C ATOM 1021 C ASN A 63 6.722 -4.979 -4.855 1.00 0.00 C ATOM 1022 O ASN A 63 7.405 -4.567 -3.918 1.00 0.00 O ATOM 1023 CB ASN A 63 7.365 -4.488 -7.195 1.00 0.00 C ATOM 1024 CG ASN A 63 6.016 -3.766 -7.225 1.00 0.00 C ATOM 1025 OD1 ASN A 63 4.962 -4.371 -7.331 1.00 0.00 O ATOM 1026 ND2 ASN A 63 6.108 -2.443 -7.128 1.00 0.00 N ATOM 0 H ASN A 63 6.550 -6.845 -7.532 1.00 0.00 H new ATOM 0 HA ASN A 63 8.420 -5.846 -5.902 1.00 0.00 H new ATOM 0 HB2 ASN A 63 8.164 -3.767 -7.019 1.00 0.00 H new ATOM 0 HB3 ASN A 63 7.558 -4.947 -8.165 1.00 0.00 H new ATOM 0 HD21 ASN A 63 5.264 -1.871 -7.140 1.00 0.00 H new ATOM 0 HD22 ASN A 63 7.023 -2.000 -7.042 1.00 0.00 H new ATOM 1033 N MET A 64 5.398 -4.963 -4.882 1.00 0.00 N ATOM 1034 CA MET A 64 4.633 -4.438 -3.764 1.00 0.00 C ATOM 1035 C MET A 64 5.098 -5.055 -2.443 1.00 0.00 C ATOM 1036 O MET A 64 5.462 -4.338 -1.513 1.00 0.00 O ATOM 1037 CB MET A 64 3.148 -4.742 -3.974 1.00 0.00 C ATOM 1038 CG MET A 64 2.316 -3.458 -3.948 1.00 0.00 C ATOM 1039 SD MET A 64 1.713 -3.154 -2.296 1.00 0.00 S ATOM 1040 CE MET A 64 2.681 -1.716 -1.872 1.00 0.00 C ATOM 0 H MET A 64 4.835 -5.305 -5.661 1.00 0.00 H new ATOM 0 HA MET A 64 4.790 -3.360 -3.715 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.009 -5.250 -4.928 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.799 -5.422 -3.197 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.921 -2.616 -4.284 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.478 -3.544 -4.640 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.242 -1.225 -1.003 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.702 -2.020 -1.640 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.691 -1.023 -2.714 1.00 0.00 H new ATOM 1050 N SER A 65 5.072 -6.379 -2.404 1.00 0.00 N ATOM 1051 CA SER A 65 5.487 -7.101 -1.213 1.00 0.00 C ATOM 1052 C SER A 65 6.818 -6.545 -0.701 1.00 0.00 C ATOM 1053 O SER A 65 6.984 -6.329 0.498 1.00 0.00 O ATOM 1054 CB SER A 65 5.610 -8.600 -1.492 1.00 0.00 C ATOM 1055 OG SER A 65 6.720 -8.896 -2.335 1.00 0.00 O ATOM 0 H SER A 65 4.770 -6.971 -3.178 1.00 0.00 H new ATOM 0 HA SER A 65 4.724 -6.963 -0.447 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.717 -9.137 -0.549 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.693 -8.958 -1.960 1.00 0.00 H new ATOM 0 HG SER A 65 6.543 -8.561 -3.239 1.00 0.00 H new ATOM 1061 N GLU A 66 7.731 -6.329 -1.636 1.00 0.00 N ATOM 1062 CA GLU A 66 9.042 -5.803 -1.295 1.00 0.00 C ATOM 1063 C GLU A 66 8.901 -4.530 -0.458 1.00 0.00 C ATOM 1064 O GLU A 66 9.606 -4.354 0.534 1.00 0.00 O ATOM 1065 CB GLU A 66 9.872 -5.542 -2.553 1.00 0.00 C ATOM 1066 CG GLU A 66 11.291 -6.094 -2.397 1.00 0.00 C ATOM 1067 CD GLU A 66 12.222 -5.525 -3.470 1.00 0.00 C ATOM 1068 OE1 GLU A 66 11.975 -5.831 -4.656 1.00 0.00 O ATOM 1069 OE2 GLU A 66 13.159 -4.796 -3.079 1.00 0.00 O ATOM 0 H GLU A 66 7.589 -6.509 -2.630 1.00 0.00 H new ATOM 0 HA GLU A 66 9.568 -6.550 -0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.390 -6.005 -3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 66 9.914 -4.471 -2.750 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.675 -5.845 -1.408 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.272 -7.182 -2.467 1.00 0.00 H new ATOM 1076 N TYR A 67 7.984 -3.675 -0.888 1.00 0.00 N ATOM 1077 CA TYR A 67 7.742 -2.424 -0.190 1.00 0.00 C ATOM 1078 C TYR A 67 7.001 -2.665 1.127 1.00 0.00 C ATOM 1079 O TYR A 67 7.489 -2.297 2.194 1.00 0.00 O ATOM 1080 CB TYR A 67 6.854 -1.590 -1.116 1.00 0.00 C ATOM 1081 CG TYR A 67 6.086 -0.475 -0.403 1.00 0.00 C ATOM 1082 CD1 TYR A 67 6.678 0.756 -0.211 1.00 0.00 C ATOM 1083 CD2 TYR A 67 4.801 -0.701 0.047 1.00 0.00 C ATOM 1084 CE1 TYR A 67 5.955 1.806 0.459 1.00 0.00 C ATOM 1085 CE2 TYR A 67 4.078 0.348 0.718 1.00 0.00 C ATOM 1086 CZ TYR A 67 4.691 1.550 0.891 1.00 0.00 C ATOM 1087 OH TYR A 67 4.008 2.541 1.524 1.00 0.00 O ATOM 0 H TYR A 67 7.400 -3.824 -1.711 1.00 0.00 H new ATOM 0 HA TYR A 67 8.683 -1.928 0.046 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.474 -1.149 -1.897 1.00 0.00 H new ATOM 0 HB3 TYR A 67 6.141 -2.250 -1.610 1.00 0.00 H new ATOM 0 HD1 TYR A 67 7.684 0.932 -0.563 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.338 -1.665 -0.104 1.00 0.00 H new ATOM 0 HE1 TYR A 67 6.406 2.775 0.615 1.00 0.00 H new ATOM 0 HE2 TYR A 67 3.072 0.184 1.076 1.00 0.00 H new ATOM 0 HH TYR A 67 3.188 2.175 1.915 1.00 0.00 H new ATOM 1097 N LEU A 68 5.835 -3.283 1.008 1.00 0.00 N ATOM 1098 CA LEU A 68 5.022 -3.577 2.175 1.00 0.00 C ATOM 1099 C LEU A 68 5.922 -4.084 3.304 1.00 0.00 C ATOM 1100 O LEU A 68 5.738 -3.715 4.463 1.00 0.00 O ATOM 1101 CB LEU A 68 3.890 -4.541 1.811 1.00 0.00 C ATOM 1102 CG LEU A 68 2.874 -4.027 0.790 1.00 0.00 C ATOM 1103 CD1 LEU A 68 1.841 -5.104 0.454 1.00 0.00 C ATOM 1104 CD2 LEU A 68 2.216 -2.733 1.275 1.00 0.00 C ATOM 0 H LEU A 68 5.434 -3.588 0.121 1.00 0.00 H new ATOM 0 HA LEU A 68 4.535 -2.672 2.537 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.332 -5.459 1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.356 -4.805 2.724 1.00 0.00 H new ATOM 0 HG LEU A 68 3.406 -3.792 -0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.131 -4.712 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.346 -5.975 0.036 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.309 -5.393 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.498 -2.389 0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.701 -2.918 2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.980 -1.970 1.423 1.00 0.00 H new ATOM 1116 N THR A 69 6.876 -4.922 2.925 1.00 0.00 N ATOM 1117 CA THR A 69 7.806 -5.483 3.891 1.00 0.00 C ATOM 1118 C THR A 69 8.616 -4.371 4.560 1.00 0.00 C ATOM 1119 O THR A 69 8.648 -4.271 5.785 1.00 0.00 O ATOM 1120 CB THR A 69 8.673 -6.516 3.168 1.00 0.00 C ATOM 1121 OG1 THR A 69 8.340 -7.750 3.798 1.00 0.00 O ATOM 1122 CG2 THR A 69 10.164 -6.337 3.461 1.00 0.00 C ATOM 0 H THR A 69 7.025 -5.226 1.963 1.00 0.00 H new ATOM 0 HA THR A 69 7.279 -5.989 4.700 1.00 0.00 H new ATOM 0 HB THR A 69 8.504 -6.444 2.094 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.051 -8.404 3.633 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.734 -7.095 2.924 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.482 -5.346 3.137 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.340 -6.442 4.532 1.00 0.00 H new ATOM 1130 N ASN A 70 9.252 -3.562 3.725 1.00 0.00 N ATOM 1131 CA ASN A 70 10.061 -2.461 4.220 1.00 0.00 C ATOM 1132 C ASN A 70 9.724 -1.192 3.433 1.00 0.00 C ATOM 1133 O ASN A 70 10.508 -0.751 2.595 1.00 0.00 O ATOM 1134 CB ASN A 70 11.553 -2.747 4.038 1.00 0.00 C ATOM 1135 CG ASN A 70 12.182 -3.228 5.347 1.00 0.00 C ATOM 1136 OD1 ASN A 70 12.481 -2.455 6.242 1.00 0.00 O ATOM 1137 ND2 ASN A 70 12.367 -4.543 5.407 1.00 0.00 N ATOM 0 H ASN A 70 9.223 -3.647 2.709 1.00 0.00 H new ATOM 0 HA ASN A 70 9.845 -2.335 5.281 1.00 0.00 H new ATOM 0 HB2 ASN A 70 11.690 -3.503 3.265 1.00 0.00 H new ATOM 0 HB3 ASN A 70 12.061 -1.845 3.696 1.00 0.00 H new ATOM 0 HD21 ASN A 70 12.782 -4.962 6.239 1.00 0.00 H new ATOM 0 HD22 ASN A 70 12.094 -5.133 4.621 1.00 0.00 H new ATOM 1144 N PRO A 71 8.525 -0.628 3.739 1.00 0.00 N ATOM 1145 CA PRO A 71 8.074 0.581 3.070 1.00 0.00 C ATOM 1146 C PRO A 71 8.824 1.808 3.592 1.00 0.00 C ATOM 1147 O PRO A 71 8.981 2.738 2.820 1.00 0.00 O ATOM 1148 CB PRO A 71 6.579 0.642 3.334 1.00 0.00 C ATOM 1149 CG PRO A 71 6.327 -0.273 4.521 1.00 0.00 C ATOM 1150 CD PRO A 71 7.570 -1.124 4.726 1.00 0.00 C ATOM 0 HA PRO A 71 8.275 0.570 1.999 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.263 1.662 3.553 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.015 0.314 2.461 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.113 0.312 5.415 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.458 -0.905 4.338 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.958 -1.021 5.739 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.356 -2.182 4.573 1.00 0.00 H new HETATM 1158 N M3L A 72 9.229 1.724 4.849 1.00 0.00 N HETATM 1159 CA M3L A 72 9.932 2.836 5.523 1.00 0.00 C HETATM 1160 CB M3L A 72 9.796 2.654 7.048 1.00 0.00 C HETATM 1161 CG M3L A 72 9.628 4.082 7.569 1.00 0.00 C HETATM 1162 CD M3L A 72 9.314 4.122 9.076 1.00 0.00 C HETATM 1163 CE M3L A 72 9.002 5.595 9.405 1.00 0.00 C HETATM 1164 NZ M3L A 72 7.566 5.820 9.625 1.00 0.00 N HETATM 1165 C M3L A 72 11.398 2.990 5.217 1.00 0.00 C HETATM 1166 O M3L A 72 11.976 4.064 5.384 1.00 0.00 O HETATM 1167 CM1 M3L A 72 7.001 5.500 8.292 1.00 0.00 C HETATM 1168 CM2 M3L A 72 7.086 4.883 10.661 1.00 0.00 C HETATM 1169 CM3 M3L A 72 7.292 7.211 10.023 1.00 0.00 C HETATM 0 HM33 M3L A 72 7.822 7.436 10.949 1.00 0.00 H new HETATM 0 HM32 M3L A 72 7.630 7.887 9.238 1.00 0.00 H new HETATM 0 HM31 M3L A 72 6.221 7.341 10.177 1.00 0.00 H new HETATM 0 HM23 M3L A 72 7.251 3.858 10.329 1.00 0.00 H new HETATM 0 HM22 M3L A 72 7.631 5.056 11.589 1.00 0.00 H new HETATM 0 HM21 M3L A 72 6.021 5.043 10.831 1.00 0.00 H new HETATM 0 HM13 M3L A 72 7.430 6.168 7.545 1.00 0.00 H new HETATM 0 HM12 M3L A 72 7.238 4.468 8.034 1.00 0.00 H new HETATM 0 HM11 M3L A 72 5.919 5.628 8.315 1.00 0.00 H new HETATM 0 HG3 M3L A 72 10.540 4.647 7.375 1.00 0.00 H new HETATM 0 HG2 M3L A 72 8.826 4.575 7.020 1.00 0.00 H new HETATM 0 HE3 M3L A 72 9.556 5.892 10.296 1.00 0.00 H new HETATM 0 HE2 M3L A 72 9.347 6.229 8.589 1.00 0.00 H new HETATM 0 HD3 M3L A 72 8.466 3.481 9.315 1.00 0.00 H new HETATM 0 HD2 M3L A 72 10.161 3.762 9.661 1.00 0.00 H new HETATM 0 HB3 M3L A 72 8.938 2.031 7.302 1.00 0.00 H new HETATM 0 HB2 M3L A 72 10.676 2.173 7.474 1.00 0.00 H new HETATM 0 HA M3L A 72 9.452 3.735 5.137 1.00 0.00 H new HETATM 0 H M3L A 72 8.762 1.006 5.403 1.00 0.00 H new ATOM 1189 N LYS A 73 11.952 1.917 4.673 1.00 0.00 N ATOM 1190 CA LYS A 73 13.332 1.935 4.218 1.00 0.00 C ATOM 1191 C LYS A 73 13.365 2.216 2.715 1.00 0.00 C ATOM 1192 O LYS A 73 13.794 3.287 2.289 1.00 0.00 O ATOM 1193 CB LYS A 73 14.045 0.642 4.619 1.00 0.00 C ATOM 1194 CG LYS A 73 15.481 0.621 4.090 1.00 0.00 C ATOM 1195 CD LYS A 73 16.486 0.516 5.238 1.00 0.00 C ATOM 1196 CE LYS A 73 16.438 -0.870 5.884 1.00 0.00 C ATOM 1197 NZ LYS A 73 15.545 -0.862 7.064 1.00 0.00 N ATOM 0 H LYS A 73 11.470 1.028 4.537 1.00 0.00 H new ATOM 0 HA LYS A 73 13.884 2.739 4.705 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.052 0.548 5.705 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.497 -0.216 4.229 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.610 -0.222 3.411 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.674 1.527 3.515 1.00 0.00 H new ATOM 0 HD2 LYS A 73 17.491 0.713 4.865 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.269 1.278 5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.085 -1.603 5.159 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.442 -1.174 6.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.934 -1.488 7.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 15.472 0.106 7.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.601 -1.199 6.787 1.00 0.00 H new ATOM 1211 N TYR A 74 12.907 1.235 1.952 1.00 0.00 N ATOM 1212 CA TYR A 74 12.880 1.363 0.504 1.00 0.00 C ATOM 1213 C TYR A 74 12.500 2.785 0.087 1.00 0.00 C ATOM 1214 O TYR A 74 13.193 3.405 -0.718 1.00 0.00 O ATOM 1215 CB TYR A 74 11.799 0.396 0.016 1.00 0.00 C ATOM 1216 CG TYR A 74 11.832 0.136 -1.491 1.00 0.00 C ATOM 1217 CD1 TYR A 74 12.860 -0.601 -2.043 1.00 0.00 C ATOM 1218 CD2 TYR A 74 10.833 0.640 -2.300 1.00 0.00 C ATOM 1219 CE1 TYR A 74 12.890 -0.845 -3.462 1.00 0.00 C ATOM 1220 CE2 TYR A 74 10.864 0.396 -3.719 1.00 0.00 C ATOM 1221 CZ TYR A 74 11.891 -0.335 -4.230 1.00 0.00 C ATOM 1222 OH TYR A 74 11.920 -0.565 -5.570 1.00 0.00 O ATOM 0 H TYR A 74 12.552 0.348 2.309 1.00 0.00 H new ATOM 0 HA TYR A 74 13.860 1.144 0.081 1.00 0.00 H new ATOM 0 HB2 TYR A 74 11.911 -0.553 0.541 1.00 0.00 H new ATOM 0 HB3 TYR A 74 10.821 0.795 0.284 1.00 0.00 H new ATOM 0 HD1 TYR A 74 13.642 -0.995 -1.411 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.028 1.217 -1.869 1.00 0.00 H new ATOM 0 HE1 TYR A 74 13.689 -1.421 -3.906 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.089 0.785 -4.363 1.00 0.00 H new ATOM 0 HH TYR A 74 11.143 -0.142 -5.991 1.00 0.00 H new ATOM 1232 N ILE A 75 11.401 3.260 0.654 1.00 0.00 N ATOM 1233 CA ILE A 75 10.921 4.598 0.351 1.00 0.00 C ATOM 1234 C ILE A 75 11.485 5.582 1.378 1.00 0.00 C ATOM 1235 O ILE A 75 11.123 5.534 2.552 1.00 0.00 O ATOM 1236 CB ILE A 75 9.394 4.612 0.260 1.00 0.00 C ATOM 1237 CG1 ILE A 75 8.897 3.590 -0.765 1.00 0.00 C ATOM 1238 CG2 ILE A 75 8.875 6.020 -0.037 1.00 0.00 C ATOM 1239 CD1 ILE A 75 9.168 4.068 -2.193 1.00 0.00 C ATOM 0 H ILE A 75 10.829 2.743 1.321 1.00 0.00 H new ATOM 0 HA ILE A 75 11.278 4.918 -0.628 1.00 0.00 H new ATOM 0 HB ILE A 75 8.991 4.319 1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.391 2.633 -0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 75 7.828 3.425 -0.630 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.787 6.002 -0.097 1.00 0.00 H new ATOM 0 HG22 ILE A 75 9.183 6.697 0.760 1.00 0.00 H new ATOM 0 HG23 ILE A 75 9.284 6.366 -0.986 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.805 3.323 -2.901 1.00 0.00 H new ATOM 0 HD12 ILE A 75 8.653 5.013 -2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 75 10.240 4.209 -2.332 1.00 0.00 H new ATOM 1251 N PRO A 76 12.384 6.475 0.884 1.00 0.00 N ATOM 1252 CA PRO A 76 13.001 7.469 1.746 1.00 0.00 C ATOM 1253 C PRO A 76 12.018 8.592 2.079 1.00 0.00 C ATOM 1254 O PRO A 76 11.928 9.580 1.352 1.00 0.00 O ATOM 1255 CB PRO A 76 14.219 7.955 0.977 1.00 0.00 C ATOM 1256 CG PRO A 76 13.982 7.560 -0.472 1.00 0.00 C ATOM 1257 CD PRO A 76 12.836 6.562 -0.501 1.00 0.00 C ATOM 0 HA PRO A 76 13.293 7.062 2.714 1.00 0.00 H new ATOM 0 HB2 PRO A 76 14.337 9.034 1.073 1.00 0.00 H new ATOM 0 HB3 PRO A 76 15.131 7.499 1.362 1.00 0.00 H new ATOM 0 HG2 PRO A 76 13.740 8.437 -1.072 1.00 0.00 H new ATOM 0 HG3 PRO A 76 14.883 7.120 -0.900 1.00 0.00 H new ATOM 0 HD2 PRO A 76 12.034 6.899 -1.159 1.00 0.00 H new ATOM 0 HD3 PRO A 76 13.166 5.591 -0.871 1.00 0.00 H new ATOM 1265 N GLY A 77 11.304 8.403 3.180 1.00 0.00 N ATOM 1266 CA GLY A 77 10.330 9.388 3.618 1.00 0.00 C ATOM 1267 C GLY A 77 8.907 8.943 3.275 1.00 0.00 C ATOM 1268 O GLY A 77 8.180 9.653 2.582 1.00 0.00 O ATOM 0 H GLY A 77 11.381 7.583 3.781 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.418 9.538 4.694 1.00 0.00 H new ATOM 0 HA3 GLY A 77 10.539 10.347 3.144 1.00 0.00 H new ATOM 1272 N THR A 78 8.552 7.769 3.776 1.00 0.00 N ATOM 1273 CA THR A 78 7.229 7.220 3.531 1.00 0.00 C ATOM 1274 C THR A 78 6.312 7.483 4.728 1.00 0.00 C ATOM 1275 O THR A 78 6.492 6.894 5.793 1.00 0.00 O ATOM 1276 CB THR A 78 7.386 5.735 3.201 1.00 0.00 C ATOM 1277 OG1 THR A 78 6.190 5.406 2.501 1.00 0.00 O ATOM 1278 CG2 THR A 78 7.343 4.850 4.449 1.00 0.00 C ATOM 0 H THR A 78 9.157 7.183 4.350 1.00 0.00 H new ATOM 0 HA THR A 78 6.750 7.707 2.681 1.00 0.00 H new ATOM 0 HB THR A 78 8.329 5.578 2.677 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.209 4.460 2.247 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.459 3.806 4.159 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.152 5.131 5.123 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.387 4.982 4.956 1.00 0.00 H new ATOM 1286 N LYS A 79 5.350 8.367 4.513 1.00 0.00 N ATOM 1287 CA LYS A 79 4.405 8.715 5.561 1.00 0.00 C ATOM 1288 C LYS A 79 3.774 7.437 6.117 1.00 0.00 C ATOM 1289 O LYS A 79 3.362 7.397 7.276 1.00 0.00 O ATOM 1290 CB LYS A 79 3.384 9.732 5.046 1.00 0.00 C ATOM 1291 CG LYS A 79 3.887 11.163 5.246 1.00 0.00 C ATOM 1292 CD LYS A 79 3.100 11.871 6.350 1.00 0.00 C ATOM 1293 CE LYS A 79 2.074 12.840 5.758 1.00 0.00 C ATOM 1294 NZ LYS A 79 0.716 12.523 6.253 1.00 0.00 N ATOM 0 H LYS A 79 5.204 8.853 3.628 1.00 0.00 H new ATOM 0 HA LYS A 79 4.917 9.204 6.389 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.191 9.555 3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.437 9.599 5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.946 11.147 5.502 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.793 11.719 4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.592 11.132 6.970 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.786 12.415 6.999 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.335 13.864 6.026 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.094 12.780 4.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.032 13.190 5.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.463 11.553 5.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.697 12.603 7.290 1.00 0.00 H new ATOM 1308 N MET A 80 3.718 6.424 5.265 1.00 0.00 N ATOM 1309 CA MET A 80 3.143 5.148 5.657 1.00 0.00 C ATOM 1310 C MET A 80 3.950 4.508 6.790 1.00 0.00 C ATOM 1311 O MET A 80 4.965 3.860 6.544 1.00 0.00 O ATOM 1312 CB MET A 80 3.121 4.206 4.451 1.00 0.00 C ATOM 1313 CG MET A 80 2.588 2.826 4.843 1.00 0.00 C ATOM 1314 SD MET A 80 2.013 1.960 3.393 1.00 0.00 S ATOM 1315 CE MET A 80 2.224 0.272 3.936 1.00 0.00 C ATOM 0 H MET A 80 4.061 6.461 4.305 1.00 0.00 H new ATOM 0 HA MET A 80 2.127 5.322 6.012 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.497 4.631 3.665 1.00 0.00 H new ATOM 0 HB3 MET A 80 4.127 4.109 4.042 1.00 0.00 H new ATOM 0 HG2 MET A 80 3.373 2.250 5.334 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.774 2.932 5.560 1.00 0.00 H new ATOM 0 HE1 MET A 80 1.764 -0.403 3.214 1.00 0.00 H new ATOM 0 HE2 MET A 80 3.287 0.046 4.018 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.749 0.141 4.908 1.00 0.00 H new ATOM 1325 N ALA A 81 3.466 4.714 8.006 1.00 0.00 N ATOM 1326 CA ALA A 81 4.129 4.165 9.177 1.00 0.00 C ATOM 1327 C ALA A 81 3.564 2.775 9.473 1.00 0.00 C ATOM 1328 O ALA A 81 2.778 2.606 10.404 1.00 0.00 O ATOM 1329 CB ALA A 81 3.962 5.126 10.356 1.00 0.00 C ATOM 0 H ALA A 81 2.623 5.253 8.206 1.00 0.00 H new ATOM 0 HA ALA A 81 5.198 4.054 8.996 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.459 4.714 11.234 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.406 6.089 10.106 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.901 5.260 10.569 1.00 0.00 H new ATOM 1335 N PHE A 82 3.988 1.814 8.665 1.00 0.00 N ATOM 1336 CA PHE A 82 3.534 0.444 8.828 1.00 0.00 C ATOM 1337 C PHE A 82 4.610 -0.414 9.497 1.00 0.00 C ATOM 1338 O PHE A 82 4.448 -0.839 10.640 1.00 0.00 O ATOM 1339 CB PHE A 82 3.257 -0.106 7.428 1.00 0.00 C ATOM 1340 CG PHE A 82 2.791 -1.564 7.412 1.00 0.00 C ATOM 1341 CD1 PHE A 82 1.871 -1.993 8.317 1.00 0.00 C ATOM 1342 CD2 PHE A 82 3.298 -2.430 6.494 1.00 0.00 C ATOM 1343 CE1 PHE A 82 1.439 -3.346 8.303 1.00 0.00 C ATOM 1344 CE2 PHE A 82 2.865 -3.782 6.479 1.00 0.00 C ATOM 1345 CZ PHE A 82 1.945 -4.212 7.384 1.00 0.00 C ATOM 0 H PHE A 82 4.642 1.958 7.895 1.00 0.00 H new ATOM 0 HA PHE A 82 2.644 0.420 9.457 1.00 0.00 H new ATOM 0 HB2 PHE A 82 2.498 0.513 6.950 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.163 -0.018 6.829 1.00 0.00 H new ATOM 0 HD1 PHE A 82 1.469 -1.305 9.046 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.030 -2.089 5.777 1.00 0.00 H new ATOM 0 HE1 PHE A 82 0.709 -3.687 9.022 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.266 -4.469 5.749 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.616 -5.241 7.373 1.00 0.00 H new ATOM 1355 N GLY A 83 5.684 -0.643 8.756 1.00 0.00 N ATOM 1356 CA GLY A 83 6.786 -1.442 9.263 1.00 0.00 C ATOM 1357 C GLY A 83 7.078 -2.624 8.337 1.00 0.00 C ATOM 1358 O GLY A 83 8.102 -2.647 7.656 1.00 0.00 O ATOM 0 H GLY A 83 5.814 -0.289 7.808 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.677 -0.821 9.358 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.545 -1.808 10.261 1.00 0.00 H new ATOM 1362 N GLY A 84 6.158 -3.578 8.340 1.00 0.00 N ATOM 1363 CA GLY A 84 6.303 -4.761 7.508 1.00 0.00 C ATOM 1364 C GLY A 84 5.549 -5.949 8.108 1.00 0.00 C ATOM 1365 O GLY A 84 5.300 -5.987 9.312 1.00 0.00 O ATOM 0 H GLY A 84 5.309 -3.556 8.905 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.925 -4.554 6.507 1.00 0.00 H new ATOM 0 HA3 GLY A 84 7.359 -5.010 7.405 1.00 0.00 H new ATOM 1369 N LEU A 85 5.207 -6.891 7.241 1.00 0.00 N ATOM 1370 CA LEU A 85 4.487 -8.077 7.671 1.00 0.00 C ATOM 1371 C LEU A 85 5.490 -9.164 8.062 1.00 0.00 C ATOM 1372 O LEU A 85 5.494 -9.630 9.200 1.00 0.00 O ATOM 1373 CB LEU A 85 3.491 -8.518 6.596 1.00 0.00 C ATOM 1374 CG LEU A 85 2.403 -7.504 6.234 1.00 0.00 C ATOM 1375 CD1 LEU A 85 2.008 -7.627 4.761 1.00 0.00 C ATOM 1376 CD2 LEU A 85 1.196 -7.639 7.165 1.00 0.00 C ATOM 0 H LEU A 85 5.415 -6.857 6.243 1.00 0.00 H new ATOM 0 HA LEU A 85 3.890 -7.860 8.557 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.048 -8.763 5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.008 -9.436 6.931 1.00 0.00 H new ATOM 0 HG LEU A 85 2.808 -6.502 6.376 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.234 -6.896 4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.880 -7.443 4.134 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.628 -8.630 4.569 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.438 -6.907 6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.780 -8.643 7.079 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.509 -7.463 8.194 1.00 0.00 H new ATOM 1388 N LYS A 86 6.317 -9.537 7.096 1.00 0.00 N ATOM 1389 CA LYS A 86 7.322 -10.560 7.325 1.00 0.00 C ATOM 1390 C LYS A 86 6.693 -11.941 7.126 1.00 0.00 C ATOM 1391 O LYS A 86 7.193 -12.748 6.344 1.00 0.00 O ATOM 1392 CB LYS A 86 7.975 -10.373 8.696 1.00 0.00 C ATOM 1393 CG LYS A 86 9.487 -10.596 8.619 1.00 0.00 C ATOM 1394 CD LYS A 86 9.853 -12.021 9.038 1.00 0.00 C ATOM 1395 CE LYS A 86 10.672 -12.019 10.330 1.00 0.00 C ATOM 1396 NZ LYS A 86 9.856 -11.522 11.460 1.00 0.00 N ATOM 0 H LYS A 86 6.311 -9.149 6.153 1.00 0.00 H new ATOM 0 HA LYS A 86 8.130 -10.470 6.599 1.00 0.00 H new ATOM 0 HB2 LYS A 86 7.770 -9.368 9.066 1.00 0.00 H new ATOM 0 HB3 LYS A 86 7.537 -11.071 9.410 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.834 -10.412 7.602 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.997 -9.881 9.265 1.00 0.00 H new ATOM 0 HD2 LYS A 86 8.945 -12.607 9.180 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.422 -12.503 8.243 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.026 -13.027 10.545 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.555 -11.391 10.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.385 -11.638 12.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.639 -10.515 11.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 8.969 -12.063 11.512 1.00 0.00 H new ATOM 1410 N LYS A 87 5.606 -12.170 7.848 1.00 0.00 N ATOM 1411 CA LYS A 87 4.904 -13.439 7.761 1.00 0.00 C ATOM 1412 C LYS A 87 4.334 -13.606 6.351 1.00 0.00 C ATOM 1413 O LYS A 87 3.170 -13.291 6.106 1.00 0.00 O ATOM 1414 CB LYS A 87 3.851 -13.545 8.866 1.00 0.00 C ATOM 1415 CG LYS A 87 4.509 -13.606 10.246 1.00 0.00 C ATOM 1416 CD LYS A 87 5.200 -14.954 10.465 1.00 0.00 C ATOM 1417 CE LYS A 87 6.535 -14.774 11.191 1.00 0.00 C ATOM 1418 NZ LYS A 87 7.636 -14.602 10.218 1.00 0.00 N ATOM 0 H LYS A 87 5.194 -11.498 8.496 1.00 0.00 H new ATOM 0 HA LYS A 87 5.592 -14.268 7.927 1.00 0.00 H new ATOM 0 HB2 LYS A 87 3.180 -12.688 8.817 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.243 -14.436 8.709 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.237 -12.800 10.342 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.757 -13.449 11.019 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.551 -15.609 11.046 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.367 -15.441 9.504 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.484 -13.906 11.848 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.732 -15.641 11.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.454 -14.170 10.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.908 -15.530 9.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.320 -13.986 9.442 1.00 0.00 H new ATOM 1432 N GLU A 88 5.180 -14.101 5.460 1.00 0.00 N ATOM 1433 CA GLU A 88 4.776 -14.313 4.081 1.00 0.00 C ATOM 1434 C GLU A 88 3.354 -14.876 4.026 1.00 0.00 C ATOM 1435 O GLU A 88 2.567 -14.501 3.158 1.00 0.00 O ATOM 1436 CB GLU A 88 5.759 -15.235 3.357 1.00 0.00 C ATOM 1437 CG GLU A 88 6.526 -14.475 2.273 1.00 0.00 C ATOM 1438 CD GLU A 88 7.919 -15.074 2.064 1.00 0.00 C ATOM 1439 OE1 GLU A 88 8.044 -16.302 2.265 1.00 0.00 O ATOM 1440 OE2 GLU A 88 8.826 -14.292 1.708 1.00 0.00 O ATOM 0 H GLU A 88 6.144 -14.362 5.667 1.00 0.00 H new ATOM 0 HA GLU A 88 4.786 -13.351 3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.461 -15.659 4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.219 -16.069 2.909 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.968 -14.508 1.337 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.616 -13.426 2.554 1.00 0.00 H new ATOM 1447 N LYS A 89 3.068 -15.768 4.963 1.00 0.00 N ATOM 1448 CA LYS A 89 1.755 -16.387 5.031 1.00 0.00 C ATOM 1449 C LYS A 89 0.680 -15.308 4.889 1.00 0.00 C ATOM 1450 O LYS A 89 -0.123 -15.346 3.958 1.00 0.00 O ATOM 1451 CB LYS A 89 1.623 -17.223 6.306 1.00 0.00 C ATOM 1452 CG LYS A 89 2.870 -18.080 6.532 1.00 0.00 C ATOM 1453 CD LYS A 89 2.492 -19.534 6.820 1.00 0.00 C ATOM 1454 CE LYS A 89 2.913 -20.449 5.668 1.00 0.00 C ATOM 1455 NZ LYS A 89 2.617 -21.862 5.993 1.00 0.00 N ATOM 0 H LYS A 89 3.723 -16.077 5.681 1.00 0.00 H new ATOM 0 HA LYS A 89 1.618 -17.084 4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.469 -16.566 7.162 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.745 -17.864 6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.511 -18.035 5.652 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.445 -17.678 7.366 1.00 0.00 H new ATOM 0 HD2 LYS A 89 2.970 -19.862 7.743 1.00 0.00 H new ATOM 0 HD3 LYS A 89 1.416 -19.610 6.975 1.00 0.00 H new ATOM 0 HE2 LYS A 89 2.388 -20.162 4.757 1.00 0.00 H new ATOM 0 HE3 LYS A 89 3.979 -20.330 5.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.909 -22.469 5.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.138 -22.137 6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 1.596 -21.974 6.157 1.00 0.00 H new ATOM 1469 N ASP A 90 0.699 -14.371 5.826 1.00 0.00 N ATOM 1470 CA ASP A 90 -0.264 -13.284 5.817 1.00 0.00 C ATOM 1471 C ASP A 90 -0.075 -12.451 4.548 1.00 0.00 C ATOM 1472 O ASP A 90 -1.049 -12.028 3.927 1.00 0.00 O ATOM 1473 CB ASP A 90 -0.065 -12.362 7.022 1.00 0.00 C ATOM 1474 CG ASP A 90 -1.006 -12.625 8.200 1.00 0.00 C ATOM 1475 OD1 ASP A 90 -1.965 -13.401 7.998 1.00 0.00 O ATOM 1476 OD2 ASP A 90 -0.744 -12.044 9.276 1.00 0.00 O ATOM 0 H ASP A 90 1.367 -14.343 6.597 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.263 -13.718 5.856 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.964 -12.460 7.369 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.195 -11.330 6.696 1.00 0.00 H new ATOM 1481 N ARG A 91 1.186 -12.240 4.200 1.00 0.00 N ATOM 1482 CA ARG A 91 1.516 -11.465 3.016 1.00 0.00 C ATOM 1483 C ARG A 91 0.810 -12.046 1.788 1.00 0.00 C ATOM 1484 O ARG A 91 0.319 -11.302 0.941 1.00 0.00 O ATOM 1485 CB ARG A 91 3.026 -11.452 2.769 1.00 0.00 C ATOM 1486 CG ARG A 91 3.781 -10.984 4.014 1.00 0.00 C ATOM 1487 CD ARG A 91 5.103 -10.314 3.635 1.00 0.00 C ATOM 1488 NE ARG A 91 6.216 -11.281 3.764 1.00 0.00 N ATOM 1489 CZ ARG A 91 7.385 -11.171 3.119 1.00 0.00 C ATOM 1490 NH1 ARG A 91 7.602 -10.135 2.297 1.00 0.00 N ATOM 1491 NH2 ARG A 91 8.338 -12.096 3.297 1.00 0.00 N ATOM 0 H ARG A 91 1.991 -12.592 4.717 1.00 0.00 H new ATOM 0 HA ARG A 91 1.178 -10.442 3.184 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.361 -12.451 2.490 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.255 -10.794 1.931 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.163 -10.284 4.577 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.975 -11.835 4.667 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.051 -9.941 2.612 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.282 -9.453 4.279 1.00 0.00 H new ATOM 0 HE ARG A 91 6.085 -12.081 4.383 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.877 -9.430 2.162 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.492 -10.051 1.806 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.173 -12.884 3.924 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.228 -12.012 2.806 1.00 0.00 H new ATOM 1505 N ASN A 92 0.783 -13.369 1.732 1.00 0.00 N ATOM 1506 CA ASN A 92 0.146 -14.058 0.622 1.00 0.00 C ATOM 1507 C ASN A 92 -1.356 -13.769 0.643 1.00 0.00 C ATOM 1508 O ASN A 92 -1.922 -13.332 -0.358 1.00 0.00 O ATOM 1509 CB ASN A 92 0.338 -15.572 0.731 1.00 0.00 C ATOM 1510 CG ASN A 92 1.803 -15.956 0.518 1.00 0.00 C ATOM 1511 OD1 ASN A 92 2.606 -15.187 0.015 1.00 0.00 O ATOM 1512 ND2 ASN A 92 2.106 -17.184 0.929 1.00 0.00 N ATOM 0 H ASN A 92 1.192 -13.982 2.437 1.00 0.00 H new ATOM 0 HA ASN A 92 0.601 -13.702 -0.302 1.00 0.00 H new ATOM 0 HB2 ASN A 92 0.008 -15.914 1.712 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -0.285 -16.075 -0.009 1.00 0.00 H new ATOM 0 HD21 ASN A 92 3.059 -17.534 0.832 1.00 0.00 H new ATOM 0 HD22 ASN A 92 1.385 -17.776 1.342 1.00 0.00 H new ATOM 1519 N ASP A 93 -1.960 -14.024 1.795 1.00 0.00 N ATOM 1520 CA ASP A 93 -3.386 -13.797 1.959 1.00 0.00 C ATOM 1521 C ASP A 93 -3.719 -12.360 1.551 1.00 0.00 C ATOM 1522 O ASP A 93 -4.647 -12.131 0.776 1.00 0.00 O ATOM 1523 CB ASP A 93 -3.809 -13.984 3.417 1.00 0.00 C ATOM 1524 CG ASP A 93 -3.445 -15.339 4.027 1.00 0.00 C ATOM 1525 OD1 ASP A 93 -3.451 -16.326 3.261 1.00 0.00 O ATOM 1526 OD2 ASP A 93 -3.169 -15.357 5.246 1.00 0.00 O ATOM 0 H ASP A 93 -1.488 -14.386 2.624 1.00 0.00 H new ATOM 0 HA ASP A 93 -3.916 -14.516 1.334 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.350 -13.198 4.016 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.888 -13.849 3.487 1.00 0.00 H new ATOM 1531 N LEU A 94 -2.944 -11.431 2.090 1.00 0.00 N ATOM 1532 CA LEU A 94 -3.146 -10.023 1.791 1.00 0.00 C ATOM 1533 C LEU A 94 -3.007 -9.801 0.284 1.00 0.00 C ATOM 1534 O LEU A 94 -3.954 -9.372 -0.374 1.00 0.00 O ATOM 1535 CB LEU A 94 -2.203 -9.157 2.630 1.00 0.00 C ATOM 1536 CG LEU A 94 -2.779 -7.831 3.131 1.00 0.00 C ATOM 1537 CD1 LEU A 94 -2.863 -6.807 1.998 1.00 0.00 C ATOM 1538 CD2 LEU A 94 -4.131 -8.044 3.814 1.00 0.00 C ATOM 0 H LEU A 94 -2.175 -11.625 2.732 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.155 -9.716 2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.879 -9.739 3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.314 -8.943 2.037 1.00 0.00 H new ATOM 0 HG LEU A 94 -2.100 -7.425 3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.276 -5.874 2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -1.866 -6.625 1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.507 -7.191 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.518 -7.086 4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.832 -8.483 3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.007 -8.715 4.664 1.00 0.00 H new ATOM 1550 N ILE A 95 -1.819 -10.103 -0.220 1.00 0.00 N ATOM 1551 CA ILE A 95 -1.544 -9.942 -1.637 1.00 0.00 C ATOM 1552 C ILE A 95 -2.661 -10.603 -2.448 1.00 0.00 C ATOM 1553 O ILE A 95 -3.122 -10.048 -3.444 1.00 0.00 O ATOM 1554 CB ILE A 95 -0.147 -10.466 -1.975 1.00 0.00 C ATOM 1555 CG1 ILE A 95 0.932 -9.659 -1.251 1.00 0.00 C ATOM 1556 CG2 ILE A 95 0.077 -10.494 -3.489 1.00 0.00 C ATOM 1557 CD1 ILE A 95 2.215 -10.477 -1.091 1.00 0.00 C ATOM 0 H ILE A 95 -1.036 -10.458 0.329 1.00 0.00 H new ATOM 0 HA ILE A 95 -1.537 -8.886 -1.905 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.073 -11.494 -1.619 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.145 -8.747 -1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.566 -9.354 -0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 95 1.078 -10.870 -3.702 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -0.662 -11.146 -3.954 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.024 -9.486 -3.891 1.00 0.00 H new ATOM 0 HD11 ILE A 95 2.965 -9.879 -0.573 1.00 0.00 H new ATOM 0 HD12 ILE A 95 2.004 -11.376 -0.512 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.591 -10.759 -2.074 1.00 0.00 H new ATOM 1569 N THR A 96 -3.065 -11.779 -1.990 1.00 0.00 N ATOM 1570 CA THR A 96 -4.120 -12.521 -2.659 1.00 0.00 C ATOM 1571 C THR A 96 -5.277 -11.590 -3.025 1.00 0.00 C ATOM 1572 O THR A 96 -5.751 -11.599 -4.160 1.00 0.00 O ATOM 1573 CB THR A 96 -4.535 -13.678 -1.749 1.00 0.00 C ATOM 1574 OG1 THR A 96 -4.138 -14.844 -2.466 1.00 0.00 O ATOM 1575 CG2 THR A 96 -6.055 -13.813 -1.630 1.00 0.00 C ATOM 0 H THR A 96 -2.680 -12.236 -1.163 1.00 0.00 H new ATOM 0 HA THR A 96 -3.771 -12.941 -3.603 1.00 0.00 H new ATOM 0 HB THR A 96 -4.105 -13.533 -0.758 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.281 -15.166 -2.118 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.296 -14.649 -0.973 1.00 0.00 H new ATOM 0 HG22 THR A 96 -6.471 -12.894 -1.216 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.483 -13.992 -2.616 1.00 0.00 H new ATOM 1583 N TYR A 97 -5.699 -10.807 -2.042 1.00 0.00 N ATOM 1584 CA TYR A 97 -6.792 -9.872 -2.247 1.00 0.00 C ATOM 1585 C TYR A 97 -6.271 -8.517 -2.730 1.00 0.00 C ATOM 1586 O TYR A 97 -6.896 -7.872 -3.571 1.00 0.00 O ATOM 1587 CB TYR A 97 -7.454 -9.692 -0.879 1.00 0.00 C ATOM 1588 CG TYR A 97 -8.593 -8.671 -0.869 1.00 0.00 C ATOM 1589 CD1 TYR A 97 -9.774 -8.949 -1.527 1.00 0.00 C ATOM 1590 CD2 TYR A 97 -8.440 -7.473 -0.202 1.00 0.00 C ATOM 1591 CE1 TYR A 97 -10.847 -7.988 -1.518 1.00 0.00 C ATOM 1592 CE2 TYR A 97 -9.513 -6.512 -0.193 1.00 0.00 C ATOM 1593 CZ TYR A 97 -10.663 -6.817 -0.851 1.00 0.00 C ATOM 1594 OH TYR A 97 -11.676 -5.909 -0.842 1.00 0.00 O ATOM 0 H TYR A 97 -5.303 -10.801 -1.102 1.00 0.00 H new ATOM 0 HA TYR A 97 -7.484 -10.249 -3.000 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -7.840 -10.655 -0.544 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.697 -9.384 -0.158 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -9.894 -9.887 -2.049 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.516 -7.256 0.313 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -11.776 -8.193 -2.029 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -9.406 -5.570 0.325 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.404 -5.121 -0.327 1.00 0.00 H new ATOM 1604 N LEU A 98 -5.131 -8.126 -2.179 1.00 0.00 N ATOM 1605 CA LEU A 98 -4.520 -6.860 -2.544 1.00 0.00 C ATOM 1606 C LEU A 98 -4.273 -6.834 -4.053 1.00 0.00 C ATOM 1607 O LEU A 98 -4.345 -5.777 -4.680 1.00 0.00 O ATOM 1608 CB LEU A 98 -3.260 -6.613 -1.710 1.00 0.00 C ATOM 1609 CG LEU A 98 -3.305 -5.409 -0.767 1.00 0.00 C ATOM 1610 CD1 LEU A 98 -2.993 -4.113 -1.518 1.00 0.00 C ATOM 1611 CD2 LEU A 98 -4.645 -5.337 -0.033 1.00 0.00 C ATOM 0 H LEU A 98 -4.615 -8.664 -1.483 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.193 -6.033 -2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.060 -7.506 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.418 -6.486 -2.390 1.00 0.00 H new ATOM 0 HG LEU A 98 -2.530 -5.538 -0.011 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.032 -3.273 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.997 -4.177 -1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.728 -3.965 -2.309 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.650 -4.472 0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.453 -5.242 -0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.788 -6.245 0.553 1.00 0.00 H new ATOM 1623 N LYS A 99 -3.986 -8.009 -4.594 1.00 0.00 N ATOM 1624 CA LYS A 99 -3.727 -8.134 -6.019 1.00 0.00 C ATOM 1625 C LYS A 99 -4.648 -7.181 -6.785 1.00 0.00 C ATOM 1626 O LYS A 99 -4.262 -6.637 -7.818 1.00 0.00 O ATOM 1627 CB LYS A 99 -3.850 -9.594 -6.459 1.00 0.00 C ATOM 1628 CG LYS A 99 -3.730 -9.720 -7.979 1.00 0.00 C ATOM 1629 CD LYS A 99 -3.672 -11.188 -8.405 1.00 0.00 C ATOM 1630 CE LYS A 99 -5.070 -11.722 -8.725 1.00 0.00 C ATOM 1631 NZ LYS A 99 -5.625 -11.040 -9.915 1.00 0.00 N ATOM 0 H LYS A 99 -3.927 -8.883 -4.072 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.702 -7.841 -6.248 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.073 -10.189 -5.979 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.808 -9.997 -6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.580 -9.233 -8.456 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.833 -9.203 -8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.030 -11.291 -9.280 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -3.225 -11.784 -7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.023 -12.796 -8.903 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.729 -11.569 -7.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.267 -11.686 -10.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.150 -10.193 -9.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -4.849 -10.761 -10.549 1.00 0.00 H new ATOM 1645 N LYS A 100 -5.847 -7.009 -6.249 1.00 0.00 N ATOM 1646 CA LYS A 100 -6.825 -6.132 -6.869 1.00 0.00 C ATOM 1647 C LYS A 100 -7.313 -5.110 -5.840 1.00 0.00 C ATOM 1648 O LYS A 100 -7.120 -3.908 -6.014 1.00 0.00 O ATOM 1649 CB LYS A 100 -7.951 -6.950 -7.506 1.00 0.00 C ATOM 1650 CG LYS A 100 -8.775 -6.092 -8.468 1.00 0.00 C ATOM 1651 CD LYS A 100 -8.258 -6.225 -9.901 1.00 0.00 C ATOM 1652 CE LYS A 100 -9.380 -6.643 -10.853 1.00 0.00 C ATOM 1653 NZ LYS A 100 -9.372 -5.797 -12.068 1.00 0.00 N ATOM 0 H LYS A 100 -6.163 -7.462 -5.392 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.370 -5.570 -7.685 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.529 -7.800 -8.042 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -8.598 -7.353 -6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -9.821 -6.395 -8.426 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -8.732 -5.048 -8.158 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -7.834 -5.276 -10.228 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.455 -6.961 -9.935 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.258 -7.690 -11.131 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -10.343 -6.557 -10.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.140 -6.094 -12.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.511 -4.802 -11.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.460 -5.900 -12.556 1.00 0.00 H new ATOM 1667 N ALA A 101 -7.936 -5.627 -4.791 1.00 0.00 N ATOM 1668 CA ALA A 101 -8.453 -4.774 -3.733 1.00 0.00 C ATOM 1669 C ALA A 101 -9.739 -4.098 -4.213 1.00 0.00 C ATOM 1670 O ALA A 101 -10.405 -3.407 -3.443 1.00 0.00 O ATOM 1671 CB ALA A 101 -7.381 -3.764 -3.322 1.00 0.00 C ATOM 0 H ALA A 101 -8.095 -6.625 -4.651 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.700 -5.363 -2.850 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.769 -3.125 -2.529 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -6.500 -4.295 -2.962 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.109 -3.151 -4.182 1.00 0.00 H new ATOM 1677 N SER A 102 -10.049 -4.321 -5.481 1.00 0.00 N ATOM 1678 CA SER A 102 -11.244 -3.741 -6.072 1.00 0.00 C ATOM 1679 C SER A 102 -12.404 -4.735 -5.988 1.00 0.00 C ATOM 1680 O SER A 102 -13.521 -4.361 -5.633 1.00 0.00 O ATOM 1681 CB SER A 102 -10.997 -3.335 -7.526 1.00 0.00 C ATOM 1682 OG SER A 102 -11.838 -2.258 -7.930 1.00 0.00 O ATOM 0 H SER A 102 -9.494 -4.895 -6.116 1.00 0.00 H new ATOM 0 HA SER A 102 -11.502 -2.843 -5.511 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.953 -3.046 -7.649 1.00 0.00 H new ATOM 0 HB3 SER A 102 -11.169 -4.193 -8.176 1.00 0.00 H new ATOM 0 HG SER A 102 -11.649 -2.028 -8.864 1.00 0.00 H new ATOM 1688 N GLU A 103 -12.100 -5.980 -6.321 1.00 0.00 N ATOM 1689 CA GLU A 103 -13.104 -7.030 -6.288 1.00 0.00 C ATOM 1690 C GLU A 103 -13.639 -7.208 -4.866 1.00 0.00 C ATOM 1691 O GLU A 103 -13.995 -6.233 -4.206 1.00 0.00 O ATOM 1692 CB GLU A 103 -12.540 -8.345 -6.830 1.00 0.00 C ATOM 1693 CG GLU A 103 -13.600 -9.448 -6.806 1.00 0.00 C ATOM 1694 CD GLU A 103 -13.623 -10.157 -5.450 1.00 0.00 C ATOM 1695 OE1 GLU A 103 -12.554 -10.674 -5.062 1.00 0.00 O ATOM 1696 OE2 GLU A 103 -14.710 -10.165 -4.833 1.00 0.00 O ATOM 0 H GLU A 103 -11.172 -6.286 -6.615 1.00 0.00 H new ATOM 0 HA GLU A 103 -13.932 -6.735 -6.933 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -12.185 -8.199 -7.850 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -11.680 -8.649 -6.233 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -14.581 -9.019 -7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -13.395 -10.171 -7.595 1.00 0.00 H new TER 1703 GLU A 103 HETATM 1704 FE HEC A 104 -0.266 2.175 3.360 1.00 0.00 FE HETATM 1705 CHA HEC A 104 0.638 4.525 0.967 1.00 0.00 C HETATM 1706 CHB HEC A 104 -0.875 0.002 0.744 1.00 0.00 C HETATM 1707 CHC HEC A 104 -0.647 -0.222 5.557 1.00 0.00 C HETATM 1708 CHD HEC A 104 -0.267 4.508 5.644 1.00 0.00 C HETATM 1709 NA HEC A 104 -0.140 2.291 1.304 1.00 0.00 N HETATM 1710 C1A HEC A 104 0.232 3.288 0.486 1.00 0.00 C HETATM 1711 C2A HEC A 104 0.469 2.823 -0.902 1.00 0.00 C HETATM 1712 C3A HEC A 104 0.013 1.571 -0.930 1.00 0.00 C HETATM 1713 C4A HEC A 104 -0.340 1.167 0.359 1.00 0.00 C HETATM 1714 CMA HEC A 104 0.008 0.626 -2.192 1.00 0.00 C HETATM 1715 CAA HEC A 104 0.897 3.765 -1.991 1.00 0.00 C HETATM 1716 CBA HEC A 104 -0.364 4.240 -2.782 1.00 0.00 C HETATM 1717 CGA HEC A 104 -0.402 3.990 -4.282 1.00 0.00 C HETATM 1718 O1A HEC A 104 -0.761 4.973 -4.941 1.00 0.00 O HETATM 1719 O2A HEC A 104 -0.075 2.878 -4.749 1.00 0.00 O HETATM 1720 NB HEC A 104 -0.694 0.239 3.181 1.00 0.00 N HETATM 1721 C1B HEC A 104 -1.122 -0.431 2.040 1.00 0.00 C HETATM 1722 C2B HEC A 104 -1.423 -1.792 2.475 1.00 0.00 C HETATM 1723 C3B HEC A 104 -1.304 -1.908 3.821 1.00 0.00 C HETATM 1724 C4B HEC A 104 -0.897 -0.587 4.221 1.00 0.00 C HETATM 1725 CMB HEC A 104 -1.967 -2.869 1.467 1.00 0.00 C HETATM 1726 CAB HEC A 104 -1.580 -3.052 4.760 1.00 0.00 C HETATM 1727 CBB HEC A 104 -0.694 -4.287 4.527 1.00 0.00 C HETATM 1728 NC HEC A 104 -0.424 2.194 5.250 1.00 0.00 N HETATM 1729 C1C HEC A 104 -0.568 1.135 6.093 1.00 0.00 C HETATM 1730 C2C HEC A 104 -0.747 1.412 7.464 1.00 0.00 C HETATM 1731 C3C HEC A 104 -0.592 2.751 7.498 1.00 0.00 C HETATM 1732 C4C HEC A 104 -0.480 3.250 6.129 1.00 0.00 C HETATM 1733 CMC HEC A 104 -0.942 0.465 8.609 1.00 0.00 C HETATM 1734 CAC HEC A 104 -0.847 3.782 8.641 1.00 0.00 C HETATM 1735 CBC HEC A 104 0.001 3.470 9.895 1.00 0.00 C HETATM 1736 ND HEC A 104 0.105 4.162 3.314 1.00 0.00 N HETATM 1737 C1D HEC A 104 0.056 4.989 4.430 1.00 0.00 C HETATM 1738 C2D HEC A 104 0.392 6.287 4.068 1.00 0.00 C HETATM 1739 C3D HEC A 104 0.681 6.293 2.757 1.00 0.00 C HETATM 1740 C4D HEC A 104 0.573 4.915 2.285 1.00 0.00 C HETATM 1741 CMD HEC A 104 0.513 7.536 5.056 1.00 0.00 C HETATM 1742 CAD HEC A 104 1.238 7.503 1.966 1.00 0.00 C HETATM 1743 CBD HEC A 104 0.356 8.725 2.068 1.00 0.00 C HETATM 1744 CGD HEC A 104 0.973 10.015 2.577 1.00 0.00 C HETATM 1745 O1D HEC A 104 2.044 10.392 2.029 1.00 0.00 O HETATM 1746 O2D HEC A 104 0.434 10.478 3.608 1.00 0.00 O HETATM 0 HMD3 HEC A 104 -0.445 7.705 5.547 1.00 0.00 H new HETATM 0 HMD2 HEC A 104 1.275 7.333 5.808 1.00 0.00 H new HETATM 0 HMD1 HEC A 104 0.791 8.424 4.488 1.00 0.00 H new HETATM 0 HMC3 HEC A 104 -1.841 -0.129 8.441 1.00 0.00 H new HETATM 0 HMC2 HEC A 104 -0.079 -0.197 8.685 1.00 0.00 H new HETATM 0 HMC1 HEC A 104 -1.048 1.030 9.535 1.00 0.00 H new HETATM 0 HMB3 HEC A 104 -2.911 -2.527 1.043 1.00 0.00 H new HETATM 0 HMB2 HEC A 104 -1.242 -3.017 0.666 1.00 0.00 H new HETATM 0 HMB1 HEC A 104 -2.125 -3.811 1.992 1.00 0.00 H new HETATM 0 HMA3 HEC A 104 -0.587 1.080 -2.984 1.00 0.00 H new HETATM 0 HMA2 HEC A 104 1.030 0.482 -2.543 1.00 0.00 H new HETATM 0 HMA1 HEC A 104 -0.423 -0.338 -1.923 1.00 0.00 H new HETATM 0 HBD2 HEC A 104 -0.057 8.921 1.078 1.00 0.00 H new HETATM 0 HBD1 HEC A 104 -0.482 8.477 2.719 1.00 0.00 H new HETATM 0 HBC3 HEC A 104 -0.252 2.477 10.267 1.00 0.00 H new HETATM 0 HBC2 HEC A 104 1.059 3.502 9.636 1.00 0.00 H new HETATM 0 HBC1 HEC A 104 -0.206 4.211 10.667 1.00 0.00 H new HETATM 0 HBB3 HEC A 104 -0.849 -4.660 3.515 1.00 0.00 H new HETATM 0 HBB2 HEC A 104 0.353 -4.013 4.656 1.00 0.00 H new HETATM 0 HBB1 HEC A 104 -0.957 -5.064 5.245 1.00 0.00 H new HETATM 0 HBA2 HEC A 104 -1.236 3.758 -2.341 1.00 0.00 H new HETATM 0 HBA1 HEC A 104 -0.476 5.312 -2.619 1.00 0.00 H new HETATM 0 HAD2 HEC A 104 2.233 7.747 2.337 1.00 0.00 H new HETATM 0 HAD1 HEC A 104 1.348 7.226 0.917 1.00 0.00 H new HETATM 0 HAA2 HEC A 104 1.417 4.622 -1.564 1.00 0.00 H new HETATM 0 HAA1 HEC A 104 1.598 3.269 -2.663 1.00 0.00 H new HETATM 0 HHD HEC A 104 -0.383 5.286 6.399 1.00 0.00 H new HETATM 0 HHC HEC A 104 -0.497 -1.036 6.266 1.00 0.00 H new HETATM 0 HHB HEC A 104 -1.149 -0.688 -0.054 1.00 0.00 H new HETATM 0 HHA HEC A 104 1.038 5.240 0.248 1.00 0.00 H new HETATM 0 H2D HEC A 104 -0.443 10.851 3.379 1.00 0.00 H new HETATM 0 H2A HEC A 104 0.900 2.786 -4.723 1.00 0.00 H new