USER MOD reduce.3.24.130724 H: found=0, std=0, add=1368, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1370 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 25 LYS NZ :NH3+ 171:sc= 0.79 (180deg=0) USER MOD Set 1.2: B 26 TYR OH : rot 165:sc= 0.328 USER MOD Set 2.1: B 16 HIS : no HD1:sc= -0.818! C(o=-2.8!,f=-27!) USER MOD Set 2.2: B 19 SER OG : rot 174:sc= -1.95! USER MOD Set 3.1: B 18 HIS : no HE2:sc= -4.61! C(o=-4.1!,f=-13!) USER MOD Set 3.2: B 21 LYS NZ :NH3+ 172:sc= 0.501! (180deg=-0.959!) USER MOD Set 4.1: A 82 THR OG1 : rot 65:sc= 0.474 USER MOD Set 4.2: B 8 MET CE :methyl -159:sc= -2.2 (180deg=-4.4!) USER MOD Set 5.1: A 25 LYS NZ :NH3+ 151:sc= 0.47! (180deg=-0.0298) USER MOD Set 5.2: A 26 TYR OH : rot 165:sc= 0.00559! USER MOD Set 6.1: A 16 HIS : no HE2:sc= -1.48! C(o=-0.82!,f=-3.8!) USER MOD Set 6.2: A 19 SER OG : rot -52:sc= 0.656 USER MOD Set 7.1: A 18 HIS : no HE2:sc= -3.98! C(o=-3!,f=-9.7!) USER MOD Set 7.2: A 21 LYS NZ :NH3+ -127:sc= 1.01 (180deg=-0.369) USER MOD Set 8.1: A 8 MET CE :methyl -131:sc= -5.44! (180deg=-8.93!) USER MOD Set 8.2: B 82 THR OG1 : rot 62:sc= 0.393 USER MOD Single : A 2 SER OG : rot 51:sc= 1.46 USER MOD Single : A 6 THR OG1 : rot 82:sc= 0.988 USER MOD Single : A 10 THR OG1 : rot 74:sc= 0.43 USER MOD Single : A 13 ASN : amide:sc= 0.521 K(o=0.52,f=-0.41) USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 0.926 (180deg=0.899) USER MOD Single : A 29 SER OG : rot 20:sc= -1.35 USER MOD Single : A 30 LYS NZ :NH3+ -132:sc= -1.86! (180deg=-8.87!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -116:sc= 0.852 (180deg=-1) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 39 THR OG1 : rot 105:sc= 0.874 USER MOD Single : A 42 SER OG : rot -22:sc= 0.398 USER MOD Single : A 48 GLN : amide:sc= -2.53 K(o=-2.5,f=-5.6) USER MOD Single : A 49 LYS NZ :NH3+ -125:sc= -0.309 (180deg=-1.93!) USER MOD Single : A 56 LYS NZ :NH3+ 174:sc= 0.436 (180deg=0.0158) USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -143:sc= 0.36 (180deg=-0.315!) USER MOD Single : A 64 ASN : amide:sc= -0.547 K(o=-0.55,f=-0.041) USER MOD Single : A 72 GLN : amide:sc= -0.487 K(o=-0.49,f=-1.5) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.666 USER MOD Single : A 85 MET CE :methyl -118:sc= -2.34 (180deg=-11.8!) USER MOD Single : A 86 ASN : amide:sc= -2.6! C(o=-2.6!,f=-6.9!) USER MOD Single : A 87 ASN : amide:sc= -0.124 X(o=-0.12,f=-0.0012) USER MOD Single : B 2 SER OG : rot 110:sc= 0.785 USER MOD Single : B 6 THR OG1 : rot 180:sc= 0.00448 USER MOD Single : B 10 THR OG1 : rot 84:sc= 0.988 USER MOD Single : B 13 ASN : amide:sc= 0.064! K(o=0.064!,f=-1.4) USER MOD Single : B 27 LYS NZ :NH3+ -157:sc= -0.105 (180deg=-3.12!) USER MOD Single : B 29 SER OG : rot 48:sc= -0.803 USER MOD Single : B 30 LYS NZ :NH3+ -125:sc= -3.57! (180deg=-14.8!) USER MOD Single : B 31 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0253) USER MOD Single : B 34 LYS NZ :NH3+ 157:sc= -0.554 (180deg=-3.17!) USER MOD Single : B 38 GLN : amide:sc= -0.0719 X(o=-0.072,f=0) USER MOD Single : B 39 THR OG1 : rot 100:sc= 0.705 USER MOD Single : B 42 SER OG : rot -122:sc= 1.26 USER MOD Single : B 48 GLN : amide:sc= -4.87! C(o=-4.9!,f=-7.9!) USER MOD Single : B 49 LYS NZ :NH3+ -175:sc= -1.03 (180deg=-1.29) USER MOD Single : B 56 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.14) USER MOD Single : B 58 MET CE :methyl 156:sc= -0.12 (180deg=-1.02) USER MOD Single : B 59 LYS NZ :NH3+ -117:sc= -4.86! (180deg=-10.6!) USER MOD Single : B 64 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : B 72 GLN : amide:sc= -4.52! K(o=-4.5!,f=-0.41) USER MOD Single : B 74 TYR OH : rot 180:sc= -0.156 USER MOD Single : B 85 MET CE :methyl -161:sc= -2.58 (180deg=-5.09!) USER MOD Single : B 86 ASN : amide:sc= -5.13! C(o=-5.1!,f=-7.4!) USER MOD Single : B 87 ASN : amide:sc= -0.766 K(o=-0.77,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -10.153 4.991 10.630 1.00 0.00 N ATOM 9 CA SER A 2 -9.760 3.667 11.047 1.00 0.00 C ATOM 10 C SER A 2 -8.238 3.567 11.024 1.00 0.00 C ATOM 11 O SER A 2 -7.572 4.364 10.345 1.00 0.00 O ATOM 12 CB SER A 2 -10.380 2.638 10.105 1.00 0.00 C ATOM 13 OG SER A 2 -11.725 3.037 9.797 1.00 0.00 O ATOM 0 HA SER A 2 -10.111 3.471 12.060 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.791 2.561 9.191 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.377 1.652 10.570 1.00 0.00 H new ATOM 0 HG SER A 2 -11.729 3.970 9.498 1.00 0.00 H new ATOM 19 N GLU A 3 -7.673 2.650 11.784 1.00 0.00 N ATOM 20 CA GLU A 3 -6.232 2.519 11.837 1.00 0.00 C ATOM 21 C GLU A 3 -5.677 2.281 10.450 1.00 0.00 C ATOM 22 O GLU A 3 -4.693 2.902 10.061 1.00 0.00 O ATOM 23 CB GLU A 3 -5.813 1.380 12.756 1.00 0.00 C ATOM 24 CG GLU A 3 -6.110 1.757 14.213 1.00 0.00 C ATOM 25 CD GLU A 3 -7.536 1.411 14.602 1.00 0.00 C ATOM 26 OE1 GLU A 3 -8.290 0.983 13.755 1.00 0.00 O ATOM 27 OE2 GLU A 3 -7.854 1.568 15.750 1.00 0.00 O ATOM 0 H GLU A 3 -8.185 1.990 12.369 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.829 3.450 12.236 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.348 0.469 12.489 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -4.750 1.173 12.633 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.416 1.236 14.873 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.943 2.825 14.354 1.00 0.00 H new ATOM 34 N LEU A 4 -6.360 1.451 9.670 1.00 0.00 N ATOM 35 CA LEU A 4 -5.921 1.214 8.306 1.00 0.00 C ATOM 36 C LEU A 4 -5.954 2.523 7.546 1.00 0.00 C ATOM 37 O LEU A 4 -5.001 2.890 6.873 1.00 0.00 O ATOM 38 CB LEU A 4 -6.847 0.195 7.603 1.00 0.00 C ATOM 39 CG LEU A 4 -6.517 -1.255 8.012 1.00 0.00 C ATOM 40 CD1 LEU A 4 -5.007 -1.499 8.027 1.00 0.00 C ATOM 41 CD2 LEU A 4 -7.100 -1.549 9.389 1.00 0.00 C ATOM 0 H LEU A 4 -7.199 0.944 9.952 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.909 0.810 8.325 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.885 0.415 7.851 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -6.749 0.299 6.522 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.961 -1.924 7.275 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.808 -2.530 8.319 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -4.599 -1.319 7.032 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -4.536 -0.822 8.740 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -6.864 -2.575 9.673 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.672 -0.863 10.120 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.182 -1.420 9.361 1.00 0.00 H new ATOM 53 N GLU A 5 -7.026 3.261 7.735 1.00 0.00 N ATOM 54 CA GLU A 5 -7.179 4.544 7.088 1.00 0.00 C ATOM 55 C GLU A 5 -6.117 5.502 7.600 1.00 0.00 C ATOM 56 O GLU A 5 -5.417 6.150 6.823 1.00 0.00 O ATOM 57 CB GLU A 5 -8.573 5.088 7.398 1.00 0.00 C ATOM 58 CG GLU A 5 -9.620 4.180 6.736 1.00 0.00 C ATOM 59 CD GLU A 5 -11.016 4.628 7.091 1.00 0.00 C ATOM 60 OE1 GLU A 5 -11.251 4.902 8.255 1.00 0.00 O ATOM 61 OE2 GLU A 5 -11.834 4.693 6.203 1.00 0.00 O ATOM 0 H GLU A 5 -7.807 2.993 8.334 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.062 4.436 6.010 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -8.733 5.124 8.476 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -8.670 6.108 7.027 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -9.491 4.197 5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.471 3.149 7.058 1.00 0.00 H new ATOM 68 N THR A 6 -5.924 5.491 8.906 1.00 0.00 N ATOM 69 CA THR A 6 -4.900 6.305 9.520 1.00 0.00 C ATOM 70 C THR A 6 -3.535 5.880 8.997 1.00 0.00 C ATOM 71 O THR A 6 -2.731 6.713 8.559 1.00 0.00 O ATOM 72 CB THR A 6 -4.958 6.147 11.043 1.00 0.00 C ATOM 73 OG1 THR A 6 -6.319 6.252 11.476 1.00 0.00 O ATOM 74 CG2 THR A 6 -4.133 7.256 11.701 1.00 0.00 C ATOM 0 H THR A 6 -6.465 4.925 9.560 1.00 0.00 H new ATOM 0 HA THR A 6 -5.066 7.353 9.270 1.00 0.00 H new ATOM 0 HB THR A 6 -4.555 5.175 11.326 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.769 5.390 11.353 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.173 7.145 12.785 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.098 7.186 11.367 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.540 8.227 11.420 1.00 0.00 H new ATOM 82 N ALA A 7 -3.302 4.579 8.972 1.00 0.00 N ATOM 83 CA ALA A 7 -2.057 4.048 8.457 1.00 0.00 C ATOM 84 C ALA A 7 -1.847 4.519 7.032 1.00 0.00 C ATOM 85 O ALA A 7 -0.774 5.029 6.683 1.00 0.00 O ATOM 86 CB ALA A 7 -2.070 2.513 8.504 1.00 0.00 C ATOM 0 H ALA A 7 -3.960 3.873 9.303 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.238 4.409 9.079 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -1.128 2.129 8.114 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.198 2.182 9.535 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -2.894 2.137 7.897 1.00 0.00 H new ATOM 92 N MET A 8 -2.874 4.376 6.207 1.00 0.00 N ATOM 93 CA MET A 8 -2.769 4.792 4.826 1.00 0.00 C ATOM 94 C MET A 8 -2.569 6.304 4.722 1.00 0.00 C ATOM 95 O MET A 8 -1.684 6.773 4.000 1.00 0.00 O ATOM 96 CB MET A 8 -3.983 4.339 4.008 1.00 0.00 C ATOM 97 CG MET A 8 -4.057 2.797 4.002 1.00 0.00 C ATOM 98 SD MET A 8 -2.485 2.101 3.433 1.00 0.00 S ATOM 99 CE MET A 8 -2.592 2.630 1.714 1.00 0.00 C ATOM 0 H MET A 8 -3.776 3.980 6.470 1.00 0.00 H new ATOM 0 HA MET A 8 -1.890 4.306 4.403 1.00 0.00 H new ATOM 0 HB2 MET A 8 -4.896 4.755 4.433 1.00 0.00 H new ATOM 0 HB3 MET A 8 -3.907 4.714 2.987 1.00 0.00 H new ATOM 0 HG2 MET A 8 -4.284 2.432 5.004 1.00 0.00 H new ATOM 0 HG3 MET A 8 -4.867 2.467 3.351 1.00 0.00 H new ATOM 0 HE1 MET A 8 -2.377 1.785 1.059 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.596 3.001 1.509 1.00 0.00 H new ATOM 0 HE3 MET A 8 -1.868 3.424 1.532 1.00 0.00 H new ATOM 109 N GLU A 9 -3.305 7.067 5.539 1.00 0.00 N ATOM 110 CA GLU A 9 -3.111 8.516 5.567 1.00 0.00 C ATOM 111 C GLU A 9 -1.730 8.857 6.107 1.00 0.00 C ATOM 112 O GLU A 9 -1.063 9.769 5.610 1.00 0.00 O ATOM 113 CB GLU A 9 -4.209 9.238 6.359 1.00 0.00 C ATOM 114 CG GLU A 9 -5.545 9.146 5.594 1.00 0.00 C ATOM 115 CD GLU A 9 -6.645 9.905 6.327 1.00 0.00 C ATOM 116 OE1 GLU A 9 -6.329 10.675 7.201 1.00 0.00 O ATOM 117 OE2 GLU A 9 -7.789 9.740 5.974 1.00 0.00 O ATOM 0 H GLU A 9 -4.022 6.714 6.173 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.183 8.873 4.540 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.313 8.790 7.347 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.936 10.282 6.509 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.423 9.554 4.591 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -5.832 8.101 5.480 1.00 0.00 H new ATOM 124 N THR A 10 -1.264 8.074 7.055 1.00 0.00 N ATOM 125 CA THR A 10 0.078 8.252 7.572 1.00 0.00 C ATOM 126 C THR A 10 1.082 8.128 6.421 1.00 0.00 C ATOM 127 O THR A 10 1.942 8.994 6.241 1.00 0.00 O ATOM 128 CB THR A 10 0.369 7.226 8.684 1.00 0.00 C ATOM 129 OG1 THR A 10 -0.700 7.245 9.635 1.00 0.00 O ATOM 130 CG2 THR A 10 1.684 7.564 9.394 1.00 0.00 C ATOM 0 H THR A 10 -1.790 7.312 7.483 1.00 0.00 H new ATOM 0 HA THR A 10 0.172 9.245 8.013 1.00 0.00 H new ATOM 0 HB THR A 10 0.455 6.236 8.237 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.486 6.801 9.253 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.874 6.829 10.176 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.502 7.547 8.673 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.613 8.557 9.838 1.00 0.00 H new ATOM 138 N LEU A 11 0.874 7.132 5.562 1.00 0.00 N ATOM 139 CA LEU A 11 1.695 7.001 4.364 1.00 0.00 C ATOM 140 C LEU A 11 1.514 8.219 3.464 1.00 0.00 C ATOM 141 O LEU A 11 2.484 8.732 2.904 1.00 0.00 O ATOM 142 CB LEU A 11 1.372 5.705 3.601 1.00 0.00 C ATOM 143 CG LEU A 11 1.856 4.475 4.398 1.00 0.00 C ATOM 144 CD1 LEU A 11 1.297 3.204 3.763 1.00 0.00 C ATOM 145 CD2 LEU A 11 3.392 4.395 4.369 1.00 0.00 C ATOM 0 H LEU A 11 0.156 6.416 5.671 1.00 0.00 H new ATOM 0 HA LEU A 11 2.739 6.947 4.674 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.298 5.635 3.429 1.00 0.00 H new ATOM 0 HB3 LEU A 11 1.851 5.723 2.622 1.00 0.00 H new ATOM 0 HG LEU A 11 1.511 4.570 5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.639 2.335 4.326 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.208 3.239 3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.645 3.129 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.722 3.523 4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.732 4.308 3.337 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.812 5.297 4.815 1.00 0.00 H new ATOM 157 N ILE A 12 0.278 8.701 3.353 1.00 0.00 N ATOM 158 CA ILE A 12 -0.002 9.877 2.527 1.00 0.00 C ATOM 159 C ILE A 12 0.757 11.079 3.077 1.00 0.00 C ATOM 160 O ILE A 12 1.356 11.850 2.318 1.00 0.00 O ATOM 161 CB ILE A 12 -1.515 10.199 2.549 1.00 0.00 C ATOM 162 CG1 ILE A 12 -2.345 9.115 1.829 1.00 0.00 C ATOM 163 CG2 ILE A 12 -1.778 11.569 1.908 1.00 0.00 C ATOM 164 CD1 ILE A 12 -2.092 9.141 0.312 1.00 0.00 C ATOM 0 H ILE A 12 -0.538 8.302 3.818 1.00 0.00 H new ATOM 0 HA ILE A 12 0.312 9.666 1.505 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.828 10.220 3.593 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -2.089 8.133 2.227 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -3.405 9.273 2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.847 11.782 1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.243 12.339 2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.432 11.560 0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -2.689 8.367 -0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.372 10.116 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.035 8.958 0.116 1.00 0.00 H new ATOM 176 N ASN A 13 0.725 11.243 4.388 1.00 0.00 N ATOM 177 CA ASN A 13 1.358 12.400 5.011 1.00 0.00 C ATOM 178 C ASN A 13 2.836 12.407 4.712 1.00 0.00 C ATOM 179 O ASN A 13 3.395 13.428 4.290 1.00 0.00 O ATOM 180 CB ASN A 13 1.130 12.375 6.524 1.00 0.00 C ATOM 181 CG ASN A 13 -0.272 12.863 6.834 1.00 0.00 C ATOM 182 OD1 ASN A 13 -0.491 14.062 6.983 1.00 0.00 O ATOM 183 ND2 ASN A 13 -1.245 12.011 6.909 1.00 0.00 N ATOM 0 H ASN A 13 0.274 10.600 5.038 1.00 0.00 H new ATOM 0 HA ASN A 13 0.911 13.306 4.602 1.00 0.00 H new ATOM 0 HB2 ASN A 13 1.267 11.363 6.906 1.00 0.00 H new ATOM 0 HB3 ASN A 13 1.865 13.007 7.023 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.194 12.336 7.092 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.062 11.015 6.785 1.00 0.00 H new ATOM 190 N VAL A 14 3.443 11.240 4.806 1.00 0.00 N ATOM 191 CA VAL A 14 4.832 11.080 4.429 1.00 0.00 C ATOM 192 C VAL A 14 4.980 11.262 2.924 1.00 0.00 C ATOM 193 O VAL A 14 5.893 11.946 2.452 1.00 0.00 O ATOM 194 CB VAL A 14 5.346 9.706 4.873 1.00 0.00 C ATOM 195 CG1 VAL A 14 6.798 9.506 4.421 1.00 0.00 C ATOM 196 CG2 VAL A 14 5.277 9.615 6.395 1.00 0.00 C ATOM 0 H VAL A 14 2.994 10.388 5.141 1.00 0.00 H new ATOM 0 HA VAL A 14 5.433 11.840 4.929 1.00 0.00 H new ATOM 0 HB VAL A 14 4.726 8.932 4.421 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.148 8.526 4.744 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.853 9.571 3.334 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.426 10.279 4.863 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.641 8.640 6.718 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.896 10.397 6.835 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.245 9.743 6.721 1.00 0.00 H new ATOM 206 N PHE A 15 4.061 10.667 2.176 1.00 0.00 N ATOM 207 CA PHE A 15 4.091 10.759 0.726 1.00 0.00 C ATOM 208 C PHE A 15 4.056 12.224 0.320 1.00 0.00 C ATOM 209 O PHE A 15 4.923 12.702 -0.417 1.00 0.00 O ATOM 210 CB PHE A 15 2.857 10.039 0.156 1.00 0.00 C ATOM 211 CG PHE A 15 2.893 10.025 -1.354 1.00 0.00 C ATOM 212 CD1 PHE A 15 3.658 9.064 -2.023 1.00 0.00 C ATOM 213 CD2 PHE A 15 2.155 10.969 -2.086 1.00 0.00 C ATOM 214 CE1 PHE A 15 3.686 9.043 -3.418 1.00 0.00 C ATOM 215 CE2 PHE A 15 2.187 10.946 -3.485 1.00 0.00 C ATOM 216 CZ PHE A 15 2.953 9.984 -4.148 1.00 0.00 C ATOM 0 H PHE A 15 3.288 10.117 2.550 1.00 0.00 H new ATOM 0 HA PHE A 15 4.999 10.295 0.339 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.821 9.017 0.533 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.950 10.537 0.498 1.00 0.00 H new ATOM 0 HD1 PHE A 15 4.227 8.339 -1.460 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.564 11.711 -1.570 1.00 0.00 H new ATOM 0 HE1 PHE A 15 4.274 8.299 -3.935 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.621 11.671 -4.051 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.979 9.967 -5.228 1.00 0.00 H new ATOM 226 N HIS A 16 3.135 12.963 0.912 1.00 0.00 N ATOM 227 CA HIS A 16 3.047 14.398 0.669 1.00 0.00 C ATOM 228 C HIS A 16 4.241 15.144 1.201 1.00 0.00 C ATOM 229 O HIS A 16 4.721 16.089 0.562 1.00 0.00 O ATOM 230 CB HIS A 16 1.743 14.998 1.179 1.00 0.00 C ATOM 231 CG HIS A 16 0.645 14.694 0.206 1.00 0.00 C ATOM 232 ND1 HIS A 16 0.901 14.289 -1.104 1.00 0.00 N ATOM 233 CD2 HIS A 16 -0.718 14.764 0.319 1.00 0.00 C ATOM 234 CE1 HIS A 16 -0.290 14.142 -1.712 1.00 0.00 C ATOM 235 NE2 HIS A 16 -1.306 14.422 -0.887 1.00 0.00 N ATOM 0 H HIS A 16 2.439 12.599 1.562 1.00 0.00 H new ATOM 0 HA HIS A 16 3.050 14.518 -0.414 1.00 0.00 H new ATOM 0 HB2 HIS A 16 1.500 14.588 2.159 1.00 0.00 H new ATOM 0 HB3 HIS A 16 1.848 16.076 1.301 1.00 0.00 H new ATOM 0 HD1 HIS A 16 1.818 14.134 -1.522 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -1.254 15.044 1.214 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -0.411 13.835 -2.740 1.00 0.00 H new ATOM 244 N ALA A 17 4.760 14.712 2.334 1.00 0.00 N ATOM 245 CA ALA A 17 5.942 15.354 2.878 1.00 0.00 C ATOM 246 C ALA A 17 7.013 15.381 1.806 1.00 0.00 C ATOM 247 O ALA A 17 7.595 16.427 1.521 1.00 0.00 O ATOM 248 CB ALA A 17 6.455 14.601 4.115 1.00 0.00 C ATOM 0 H ALA A 17 4.393 13.937 2.886 1.00 0.00 H new ATOM 0 HA ALA A 17 5.691 16.369 3.186 1.00 0.00 H new ATOM 0 HB1 ALA A 17 7.341 15.102 4.504 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.680 14.589 4.881 1.00 0.00 H new ATOM 0 HB3 ALA A 17 6.708 13.578 3.839 1.00 0.00 H new ATOM 254 N HIS A 18 7.183 14.256 1.126 1.00 0.00 N ATOM 255 CA HIS A 18 8.098 14.199 0.004 1.00 0.00 C ATOM 256 C HIS A 18 7.539 14.918 -1.233 1.00 0.00 C ATOM 257 O HIS A 18 8.280 15.608 -1.925 1.00 0.00 O ATOM 258 CB HIS A 18 8.541 12.777 -0.301 1.00 0.00 C ATOM 259 CG HIS A 18 9.381 12.278 0.849 1.00 0.00 C ATOM 260 ND1 HIS A 18 10.724 12.625 1.004 1.00 0.00 N ATOM 261 CD2 HIS A 18 9.076 11.479 1.919 1.00 0.00 C ATOM 262 CE1 HIS A 18 11.162 12.033 2.137 1.00 0.00 C ATOM 263 NE2 HIS A 18 10.199 11.324 2.733 1.00 0.00 N ATOM 0 H HIS A 18 6.703 13.380 1.332 1.00 0.00 H new ATOM 0 HA HIS A 18 8.995 14.744 0.299 1.00 0.00 H new ATOM 0 HB2 HIS A 18 7.673 12.133 -0.443 1.00 0.00 H new ATOM 0 HB3 HIS A 18 9.114 12.750 -1.228 1.00 0.00 H new ATOM 0 HD1 HIS A 18 11.273 13.215 0.379 1.00 0.00 H new ATOM 0 HD2 HIS A 18 8.109 11.035 2.105 1.00 0.00 H new ATOM 0 HE1 HIS A 18 12.170 12.122 2.515 1.00 0.00 H new ATOM 272 N SER A 19 6.210 14.847 -1.451 1.00 0.00 N ATOM 273 CA SER A 19 5.595 15.607 -2.563 1.00 0.00 C ATOM 274 C SER A 19 6.039 17.064 -2.469 1.00 0.00 C ATOM 275 O SER A 19 6.244 17.740 -3.476 1.00 0.00 O ATOM 276 CB SER A 19 4.052 15.549 -2.511 1.00 0.00 C ATOM 277 OG SER A 19 3.602 14.194 -2.516 1.00 0.00 O ATOM 0 H SER A 19 5.559 14.292 -0.895 1.00 0.00 H new ATOM 0 HA SER A 19 5.920 15.159 -3.502 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.693 16.054 -1.614 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.633 16.081 -3.365 1.00 0.00 H new ATOM 0 HG SER A 19 4.008 13.717 -3.270 1.00 0.00 H new ATOM 283 N GLY A 20 6.192 17.534 -1.244 1.00 0.00 N ATOM 284 CA GLY A 20 6.630 18.894 -0.986 1.00 0.00 C ATOM 285 C GLY A 20 8.031 19.138 -1.530 1.00 0.00 C ATOM 286 O GLY A 20 8.368 20.256 -1.921 1.00 0.00 O ATOM 0 H GLY A 20 6.017 16.985 -0.402 1.00 0.00 H new ATOM 0 HA2 GLY A 20 5.933 19.596 -1.444 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.616 19.085 0.087 1.00 0.00 H new ATOM 290 N LYS A 21 8.859 18.109 -1.496 1.00 0.00 N ATOM 291 CA LYS A 21 10.253 18.229 -1.906 1.00 0.00 C ATOM 292 C LYS A 21 10.319 18.579 -3.378 1.00 0.00 C ATOM 293 O LYS A 21 11.080 19.457 -3.798 1.00 0.00 O ATOM 294 CB LYS A 21 10.942 16.881 -1.715 1.00 0.00 C ATOM 295 CG LYS A 21 10.826 16.432 -0.257 1.00 0.00 C ATOM 296 CD LYS A 21 11.701 17.292 0.643 1.00 0.00 C ATOM 297 CE LYS A 21 11.563 16.791 2.076 1.00 0.00 C ATOM 298 NZ LYS A 21 12.268 15.485 2.214 1.00 0.00 N ATOM 0 H LYS A 21 8.591 17.174 -1.187 1.00 0.00 H new ATOM 0 HA LYS A 21 10.738 19.002 -1.311 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.489 16.137 -2.370 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.992 16.957 -1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.787 16.498 0.067 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.122 15.387 -0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 21 12.741 17.239 0.322 1.00 0.00 H new ATOM 0 HD3 LYS A 21 11.400 18.337 0.577 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.984 17.519 2.770 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.510 16.677 2.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.619 14.781 2.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.587 15.162 1.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.091 15.599 2.840 1.00 0.00 H new ATOM 312 N GLU A 22 9.527 17.877 -4.158 1.00 0.00 N ATOM 313 CA GLU A 22 9.489 18.089 -5.589 1.00 0.00 C ATOM 314 C GLU A 22 8.478 19.173 -5.934 1.00 0.00 C ATOM 315 O GLU A 22 8.829 20.184 -6.545 1.00 0.00 O ATOM 316 CB GLU A 22 9.168 16.780 -6.308 1.00 0.00 C ATOM 317 CG GLU A 22 8.099 15.993 -5.527 1.00 0.00 C ATOM 318 CD GLU A 22 7.000 15.580 -6.470 1.00 0.00 C ATOM 319 OE1 GLU A 22 6.213 16.431 -6.820 1.00 0.00 O ATOM 320 OE2 GLU A 22 6.970 14.434 -6.841 1.00 0.00 O ATOM 0 H GLU A 22 8.896 17.149 -3.823 1.00 0.00 H new ATOM 0 HA GLU A 22 10.469 18.426 -5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.812 16.989 -7.317 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.072 16.180 -6.407 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.545 15.114 -5.062 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.693 16.607 -4.723 1.00 0.00 H new ATOM 327 N GLY A 23 7.279 19.047 -5.377 1.00 0.00 N ATOM 328 CA GLY A 23 6.279 20.091 -5.483 1.00 0.00 C ATOM 329 C GLY A 23 5.392 19.972 -6.723 1.00 0.00 C ATOM 330 O GLY A 23 4.836 20.980 -7.172 1.00 0.00 O ATOM 0 H GLY A 23 6.980 18.228 -4.847 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.649 20.070 -4.594 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.778 21.060 -5.497 1.00 0.00 H new ATOM 334 N ASP A 24 5.168 18.752 -7.229 1.00 0.00 N ATOM 335 CA ASP A 24 4.203 18.587 -8.339 1.00 0.00 C ATOM 336 C ASP A 24 2.866 19.100 -7.851 1.00 0.00 C ATOM 337 O ASP A 24 2.208 19.915 -8.498 1.00 0.00 O ATOM 338 CB ASP A 24 4.035 17.098 -8.697 1.00 0.00 C ATOM 339 CG ASP A 24 3.080 16.942 -9.866 1.00 0.00 C ATOM 340 OD1 ASP A 24 3.459 17.283 -10.968 1.00 0.00 O ATOM 341 OD2 ASP A 24 1.971 16.501 -9.649 1.00 0.00 O ATOM 0 H ASP A 24 5.617 17.894 -6.909 1.00 0.00 H new ATOM 0 HA ASP A 24 4.559 19.126 -9.217 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.003 16.666 -8.950 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.657 16.550 -7.834 1.00 0.00 H new ATOM 346 N LYS A 25 2.556 18.661 -6.643 1.00 0.00 N ATOM 347 CA LYS A 25 1.393 19.029 -5.837 1.00 0.00 C ATOM 348 C LYS A 25 0.931 17.824 -5.066 1.00 0.00 C ATOM 349 O LYS A 25 1.030 17.788 -3.837 1.00 0.00 O ATOM 350 CB LYS A 25 0.241 19.690 -6.614 1.00 0.00 C ATOM 351 CG LYS A 25 -0.302 18.806 -7.747 1.00 0.00 C ATOM 352 CD LYS A 25 -1.420 19.587 -8.451 1.00 0.00 C ATOM 353 CE LYS A 25 -2.003 18.767 -9.602 1.00 0.00 C ATOM 354 NZ LYS A 25 -3.402 19.197 -9.848 1.00 0.00 N ATOM 0 H LYS A 25 3.151 17.988 -6.160 1.00 0.00 H new ATOM 0 HA LYS A 25 1.720 19.813 -5.154 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.569 19.924 -5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.587 20.635 -7.032 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.492 18.556 -8.451 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.684 17.866 -7.349 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.206 19.832 -7.737 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.029 20.531 -8.831 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.404 18.905 -10.502 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.974 17.705 -9.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.639 19.049 -10.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -4.047 18.638 -9.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.502 20.205 -9.614 1.00 0.00 H new ATOM 368 N TYR A 26 0.703 16.749 -5.794 1.00 0.00 N ATOM 369 CA TYR A 26 0.515 15.461 -5.178 1.00 0.00 C ATOM 370 C TYR A 26 1.015 14.349 -6.083 1.00 0.00 C ATOM 371 O TYR A 26 0.260 13.759 -6.856 1.00 0.00 O ATOM 372 CB TYR A 26 -0.947 15.239 -4.774 1.00 0.00 C ATOM 373 CG TYR A 26 -1.896 15.926 -5.739 1.00 0.00 C ATOM 374 CD1 TYR A 26 -2.251 15.304 -6.933 1.00 0.00 C ATOM 375 CD2 TYR A 26 -2.432 17.179 -5.419 1.00 0.00 C ATOM 376 CE1 TYR A 26 -3.137 15.926 -7.812 1.00 0.00 C ATOM 377 CE2 TYR A 26 -3.323 17.801 -6.300 1.00 0.00 C ATOM 378 CZ TYR A 26 -3.675 17.173 -7.497 1.00 0.00 C ATOM 379 OH TYR A 26 -4.557 17.781 -8.367 1.00 0.00 O ATOM 0 H TYR A 26 0.644 16.747 -6.812 1.00 0.00 H new ATOM 0 HA TYR A 26 1.109 15.440 -4.264 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.161 14.171 -4.749 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.110 15.621 -3.766 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.839 14.337 -7.179 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.158 17.664 -4.494 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.407 15.441 -8.738 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.739 18.767 -6.055 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.019 18.512 -7.906 1.00 0.00 H new ATOM 389 N LYS A 27 2.258 14.000 -5.859 1.00 0.00 N ATOM 390 CA LYS A 27 2.962 12.896 -6.487 1.00 0.00 C ATOM 391 C LYS A 27 4.183 12.658 -5.641 1.00 0.00 C ATOM 392 O LYS A 27 4.500 13.488 -4.772 1.00 0.00 O ATOM 393 CB LYS A 27 3.450 13.246 -7.918 1.00 0.00 C ATOM 394 CG LYS A 27 2.303 13.259 -8.944 1.00 0.00 C ATOM 395 CD LYS A 27 1.940 11.818 -9.355 1.00 0.00 C ATOM 396 CE LYS A 27 3.063 11.220 -10.232 1.00 0.00 C ATOM 397 NZ LYS A 27 2.544 10.891 -11.585 1.00 0.00 N ATOM 0 H LYS A 27 2.845 14.505 -5.195 1.00 0.00 H new ATOM 0 HA LYS A 27 2.296 12.036 -6.563 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.933 14.223 -7.905 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.203 12.522 -8.229 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.430 13.754 -8.518 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.598 13.832 -9.823 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.795 11.203 -8.467 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.998 11.814 -9.903 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.886 11.930 -10.314 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.462 10.322 -9.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.325 10.554 -12.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.821 10.148 -11.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.123 11.741 -12.012 1.00 0.00 H new ATOM 411 N LEU A 28 4.949 11.657 -5.980 1.00 0.00 N ATOM 412 CA LEU A 28 6.248 11.509 -5.390 1.00 0.00 C ATOM 413 C LEU A 28 7.280 11.322 -6.484 1.00 0.00 C ATOM 414 O LEU A 28 7.138 10.453 -7.355 1.00 0.00 O ATOM 415 CB LEU A 28 6.285 10.359 -4.378 1.00 0.00 C ATOM 416 CG LEU A 28 7.724 10.141 -3.890 1.00 0.00 C ATOM 417 CD1 LEU A 28 8.186 11.346 -3.085 1.00 0.00 C ATOM 418 CD2 LEU A 28 7.790 8.892 -3.017 1.00 0.00 C ATOM 0 H LEU A 28 4.697 10.937 -6.657 1.00 0.00 H new ATOM 0 HA LEU A 28 6.484 12.416 -4.834 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.635 10.585 -3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.905 9.446 -4.837 1.00 0.00 H new ATOM 0 HG LEU A 28 8.375 10.014 -4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.208 11.184 -2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.150 12.237 -3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.531 11.481 -2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.813 8.742 -2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.133 9.015 -2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.471 8.026 -3.597 1.00 0.00 H new ATOM 430 N SER A 29 8.292 12.143 -6.470 1.00 0.00 N ATOM 431 CA SER A 29 9.333 12.023 -7.440 1.00 0.00 C ATOM 432 C SER A 29 10.342 10.996 -6.972 1.00 0.00 C ATOM 433 O SER A 29 10.417 10.669 -5.778 1.00 0.00 O ATOM 434 CB SER A 29 9.985 13.377 -7.704 1.00 0.00 C ATOM 435 OG SER A 29 10.328 13.984 -6.465 1.00 0.00 O ATOM 0 H SER A 29 8.415 12.900 -5.797 1.00 0.00 H new ATOM 0 HA SER A 29 8.910 11.683 -8.385 1.00 0.00 H new ATOM 0 HB2 SER A 29 10.876 13.250 -8.319 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.303 14.020 -8.260 1.00 0.00 H new ATOM 0 HG SER A 29 10.375 13.298 -5.767 1.00 0.00 H new ATOM 441 N LYS A 30 11.133 10.505 -7.883 1.00 0.00 N ATOM 442 CA LYS A 30 12.140 9.522 -7.537 1.00 0.00 C ATOM 443 C LYS A 30 13.243 10.181 -6.741 1.00 0.00 C ATOM 444 O LYS A 30 14.171 9.521 -6.269 1.00 0.00 O ATOM 445 CB LYS A 30 12.714 8.889 -8.801 1.00 0.00 C ATOM 446 CG LYS A 30 11.571 8.447 -9.732 1.00 0.00 C ATOM 447 CD LYS A 30 10.720 7.366 -9.051 1.00 0.00 C ATOM 448 CE LYS A 30 11.478 6.032 -9.040 1.00 0.00 C ATOM 449 NZ LYS A 30 12.212 5.839 -10.322 1.00 0.00 N ATOM 0 H LYS A 30 11.107 10.763 -8.869 1.00 0.00 H new ATOM 0 HA LYS A 30 11.680 8.740 -6.933 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.358 9.603 -9.315 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.334 8.031 -8.539 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.948 9.304 -9.987 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.981 8.063 -10.666 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.483 7.667 -8.031 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.773 7.251 -9.578 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.179 6.012 -8.206 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.778 5.210 -8.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.026 4.884 -10.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.891 6.544 -11.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.233 5.954 -10.158 1.00 0.00 H new ATOM 463 N LYS A 31 13.147 11.488 -6.617 1.00 0.00 N ATOM 464 CA LYS A 31 14.168 12.273 -5.958 1.00 0.00 C ATOM 465 C LYS A 31 14.293 11.818 -4.522 1.00 0.00 C ATOM 466 O LYS A 31 15.397 11.653 -3.989 1.00 0.00 O ATOM 467 CB LYS A 31 13.675 13.723 -5.900 1.00 0.00 C ATOM 468 CG LYS A 31 13.446 14.268 -7.302 1.00 0.00 C ATOM 469 CD LYS A 31 12.881 15.681 -7.202 1.00 0.00 C ATOM 470 CE LYS A 31 12.442 16.149 -8.586 1.00 0.00 C ATOM 471 NZ LYS A 31 13.630 16.560 -9.386 1.00 0.00 N ATOM 0 H LYS A 31 12.361 12.034 -6.969 1.00 0.00 H new ATOM 0 HA LYS A 31 15.113 12.170 -6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.749 13.775 -5.328 1.00 0.00 H new ATOM 0 HB3 LYS A 31 14.406 14.341 -5.379 1.00 0.00 H new ATOM 0 HG2 LYS A 31 14.382 14.276 -7.860 1.00 0.00 H new ATOM 0 HG3 LYS A 31 12.756 13.625 -7.847 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.035 15.699 -6.515 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.634 16.358 -6.799 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.908 15.348 -9.097 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.749 16.985 -8.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.322 16.877 -10.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.122 17.338 -8.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.277 15.752 -9.488 1.00 0.00 H new ATOM 485 N GLU A 32 13.144 11.696 -3.892 1.00 0.00 N ATOM 486 CA GLU A 32 13.048 11.417 -2.479 1.00 0.00 C ATOM 487 C GLU A 32 12.810 9.944 -2.211 1.00 0.00 C ATOM 488 O GLU A 32 12.983 9.492 -1.096 1.00 0.00 O ATOM 489 CB GLU A 32 11.862 12.209 -1.920 1.00 0.00 C ATOM 490 CG GLU A 32 12.117 13.720 -2.033 1.00 0.00 C ATOM 491 CD GLU A 32 13.114 14.178 -0.976 1.00 0.00 C ATOM 492 OE1 GLU A 32 12.832 13.993 0.205 1.00 0.00 O ATOM 493 OE2 GLU A 32 14.127 14.722 -1.342 1.00 0.00 O ATOM 0 H GLU A 32 12.240 11.789 -4.355 1.00 0.00 H new ATOM 0 HA GLU A 32 13.987 11.701 -2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.954 11.947 -2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.698 11.940 -0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.498 13.956 -3.026 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.179 14.262 -1.914 1.00 0.00 H new ATOM 500 N LEU A 33 12.245 9.251 -3.182 1.00 0.00 N ATOM 501 CA LEU A 33 11.727 7.905 -2.955 1.00 0.00 C ATOM 502 C LEU A 33 12.801 6.968 -2.431 1.00 0.00 C ATOM 503 O LEU A 33 12.591 6.281 -1.425 1.00 0.00 O ATOM 504 CB LEU A 33 11.153 7.361 -4.267 1.00 0.00 C ATOM 505 CG LEU A 33 10.564 5.941 -4.099 1.00 0.00 C ATOM 506 CD1 LEU A 33 11.684 4.895 -4.117 1.00 0.00 C ATOM 507 CD2 LEU A 33 9.760 5.830 -2.795 1.00 0.00 C ATOM 0 H LEU A 33 12.131 9.593 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 33 10.946 7.962 -2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 33 10.377 8.035 -4.630 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.937 7.341 -5.024 1.00 0.00 H new ATOM 0 HG LEU A 33 9.890 5.754 -4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 33 11.255 3.900 -3.998 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.217 4.949 -5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 33 12.378 5.091 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.357 4.822 -2.701 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.411 6.041 -1.947 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.941 6.549 -2.810 1.00 0.00 H new ATOM 519 N LYS A 34 13.965 6.982 -3.055 1.00 0.00 N ATOM 520 CA LYS A 34 15.044 6.123 -2.604 1.00 0.00 C ATOM 521 C LYS A 34 15.390 6.458 -1.161 1.00 0.00 C ATOM 522 O LYS A 34 15.531 5.580 -0.315 1.00 0.00 O ATOM 523 CB LYS A 34 16.291 6.284 -3.512 1.00 0.00 C ATOM 524 CG LYS A 34 16.987 7.638 -3.238 1.00 0.00 C ATOM 525 CD LYS A 34 18.212 7.807 -4.152 1.00 0.00 C ATOM 526 CE LYS A 34 19.003 9.069 -3.739 1.00 0.00 C ATOM 527 NZ LYS A 34 18.191 10.295 -3.989 1.00 0.00 N ATOM 0 H LYS A 34 14.185 7.567 -3.861 1.00 0.00 H new ATOM 0 HA LYS A 34 14.718 5.085 -2.663 1.00 0.00 H new ATOM 0 HB2 LYS A 34 16.989 5.466 -3.331 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.996 6.225 -4.560 1.00 0.00 H new ATOM 0 HG2 LYS A 34 16.285 8.455 -3.405 1.00 0.00 H new ATOM 0 HG3 LYS A 34 17.295 7.691 -2.194 1.00 0.00 H new ATOM 0 HD2 LYS A 34 18.852 6.927 -4.084 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.893 7.890 -5.191 1.00 0.00 H new ATOM 0 HE2 LYS A 34 19.269 9.010 -2.684 1.00 0.00 H new ATOM 0 HE3 LYS A 34 19.936 9.122 -4.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 18.658 10.880 -4.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.245 10.022 -4.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.103 10.839 -3.107 1.00 0.00 H new ATOM 541 N GLU A 35 15.489 7.745 -0.897 1.00 0.00 N ATOM 542 CA GLU A 35 15.813 8.258 0.415 1.00 0.00 C ATOM 543 C GLU A 35 14.653 7.986 1.364 1.00 0.00 C ATOM 544 O GLU A 35 14.840 7.567 2.508 1.00 0.00 O ATOM 545 CB GLU A 35 16.025 9.769 0.280 1.00 0.00 C ATOM 546 CG GLU A 35 17.238 10.022 -0.634 1.00 0.00 C ATOM 547 CD GLU A 35 17.374 11.493 -0.983 1.00 0.00 C ATOM 548 OE1 GLU A 35 16.760 12.311 -0.325 1.00 0.00 O ATOM 549 OE2 GLU A 35 18.093 11.785 -1.920 1.00 0.00 O ATOM 0 H GLU A 35 15.345 8.472 -1.598 1.00 0.00 H new ATOM 0 HA GLU A 35 16.709 7.779 0.809 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.134 10.239 -0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 35 16.192 10.215 1.260 1.00 0.00 H new ATOM 0 HG2 GLU A 35 18.146 9.679 -0.138 1.00 0.00 H new ATOM 0 HG3 GLU A 35 17.134 9.438 -1.548 1.00 0.00 H new ATOM 556 N LEU A 36 13.464 8.232 0.864 1.00 0.00 N ATOM 557 CA LEU A 36 12.224 8.072 1.606 1.00 0.00 C ATOM 558 C LEU A 36 12.014 6.642 2.050 1.00 0.00 C ATOM 559 O LEU A 36 11.708 6.381 3.215 1.00 0.00 O ATOM 560 CB LEU A 36 11.068 8.525 0.678 1.00 0.00 C ATOM 561 CG LEU A 36 9.748 7.814 1.001 1.00 0.00 C ATOM 562 CD1 LEU A 36 9.316 8.099 2.426 1.00 0.00 C ATOM 563 CD2 LEU A 36 8.671 8.308 0.043 1.00 0.00 C ATOM 0 H LEU A 36 13.323 8.557 -0.093 1.00 0.00 H new ATOM 0 HA LEU A 36 12.259 8.676 2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 36 10.930 9.602 0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 36 11.340 8.328 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 36 9.892 6.739 0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.378 7.584 2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.082 7.746 3.116 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.177 9.172 2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.729 7.807 0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.546 9.385 0.160 1.00 0.00 H new ATOM 0 HD23 LEU A 36 8.966 8.086 -0.982 1.00 0.00 H new ATOM 575 N LEU A 37 12.169 5.718 1.135 1.00 0.00 N ATOM 576 CA LEU A 37 11.908 4.332 1.462 1.00 0.00 C ATOM 577 C LEU A 37 12.855 3.848 2.552 1.00 0.00 C ATOM 578 O LEU A 37 12.416 3.311 3.573 1.00 0.00 O ATOM 579 CB LEU A 37 12.000 3.464 0.192 1.00 0.00 C ATOM 580 CG LEU A 37 11.874 1.958 0.503 1.00 0.00 C ATOM 581 CD1 LEU A 37 13.219 1.405 0.992 1.00 0.00 C ATOM 582 CD2 LEU A 37 10.792 1.698 1.554 1.00 0.00 C ATOM 0 H LEU A 37 12.468 5.891 0.175 1.00 0.00 H new ATOM 0 HA LEU A 37 10.895 4.242 1.855 1.00 0.00 H new ATOM 0 HB2 LEU A 37 11.213 3.756 -0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.951 3.652 -0.306 1.00 0.00 H new ATOM 0 HG LEU A 37 11.586 1.448 -0.416 1.00 0.00 H new ATOM 0 HD11 LEU A 37 13.118 0.341 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.974 1.548 0.219 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.522 1.932 1.897 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.727 0.628 1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 37 11.046 2.223 2.475 1.00 0.00 H new ATOM 0 HD23 LEU A 37 9.832 2.058 1.184 1.00 0.00 H new ATOM 594 N GLN A 38 14.134 4.139 2.395 1.00 0.00 N ATOM 595 CA GLN A 38 15.099 3.772 3.411 1.00 0.00 C ATOM 596 C GLN A 38 14.854 4.549 4.694 1.00 0.00 C ATOM 597 O GLN A 38 14.954 4.003 5.800 1.00 0.00 O ATOM 598 CB GLN A 38 16.535 3.971 2.908 1.00 0.00 C ATOM 599 CG GLN A 38 16.795 5.439 2.570 1.00 0.00 C ATOM 600 CD GLN A 38 18.219 5.593 2.064 1.00 0.00 C ATOM 601 OE1 GLN A 38 18.664 4.823 1.218 1.00 0.00 O ATOM 602 NE2 GLN A 38 18.970 6.528 2.536 1.00 0.00 N ATOM 0 H GLN A 38 14.523 4.622 1.585 1.00 0.00 H new ATOM 0 HA GLN A 38 14.971 2.712 3.630 1.00 0.00 H new ATOM 0 HB2 GLN A 38 17.241 3.638 3.669 1.00 0.00 H new ATOM 0 HB3 GLN A 38 16.704 3.355 2.025 1.00 0.00 H new ATOM 0 HG2 GLN A 38 16.089 5.780 1.813 1.00 0.00 H new ATOM 0 HG3 GLN A 38 16.641 6.060 3.452 1.00 0.00 H new ATOM 0 HE21 GLN A 38 18.604 7.170 3.239 1.00 0.00 H new ATOM 0 HE22 GLN A 38 19.930 6.626 2.206 1.00 0.00 H new ATOM 611 N THR A 39 14.544 5.824 4.543 1.00 0.00 N ATOM 612 CA THR A 39 14.287 6.679 5.683 1.00 0.00 C ATOM 613 C THR A 39 13.068 6.206 6.471 1.00 0.00 C ATOM 614 O THR A 39 13.145 6.023 7.689 1.00 0.00 O ATOM 615 CB THR A 39 14.086 8.114 5.182 1.00 0.00 C ATOM 616 OG1 THR A 39 15.296 8.576 4.576 1.00 0.00 O ATOM 617 CG2 THR A 39 13.698 9.035 6.324 1.00 0.00 C ATOM 0 H THR A 39 14.464 6.289 3.639 1.00 0.00 H new ATOM 0 HA THR A 39 15.140 6.639 6.361 1.00 0.00 H new ATOM 0 HB THR A 39 13.279 8.121 4.449 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.193 8.579 3.601 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.561 10.047 5.944 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.768 8.686 6.772 1.00 0.00 H new ATOM 0 HG23 THR A 39 14.486 9.033 7.077 1.00 0.00 H new ATOM 625 N GLU A 40 11.958 6.011 5.790 1.00 0.00 N ATOM 626 CA GLU A 40 10.736 5.599 6.455 1.00 0.00 C ATOM 627 C GLU A 40 10.808 4.175 6.974 1.00 0.00 C ATOM 628 O GLU A 40 10.322 3.886 8.061 1.00 0.00 O ATOM 629 CB GLU A 40 9.531 5.793 5.533 1.00 0.00 C ATOM 630 CG GLU A 40 8.965 7.212 5.714 1.00 0.00 C ATOM 631 CD GLU A 40 10.079 8.232 5.913 1.00 0.00 C ATOM 632 OE1 GLU A 40 10.793 8.504 4.976 1.00 0.00 O ATOM 633 OE2 GLU A 40 10.199 8.730 7.007 1.00 0.00 O ATOM 0 H GLU A 40 11.875 6.130 4.780 1.00 0.00 H new ATOM 0 HA GLU A 40 10.612 6.240 7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.826 5.638 4.495 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.764 5.053 5.760 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.372 7.483 4.840 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.294 7.231 6.573 1.00 0.00 H new ATOM 640 N LEU A 41 11.392 3.288 6.205 1.00 0.00 N ATOM 641 CA LEU A 41 11.472 1.886 6.602 1.00 0.00 C ATOM 642 C LEU A 41 12.780 1.579 7.301 1.00 0.00 C ATOM 643 O LEU A 41 13.451 0.603 6.970 1.00 0.00 O ATOM 644 CB LEU A 41 11.257 0.959 5.401 1.00 0.00 C ATOM 645 CG LEU A 41 9.755 0.697 5.235 1.00 0.00 C ATOM 646 CD1 LEU A 41 9.036 1.994 4.866 1.00 0.00 C ATOM 647 CD2 LEU A 41 9.523 -0.347 4.145 1.00 0.00 C ATOM 0 H LEU A 41 11.819 3.501 5.304 1.00 0.00 H new ATOM 0 HA LEU A 41 10.669 1.702 7.316 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.662 1.414 4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.789 0.019 5.551 1.00 0.00 H new ATOM 0 HG LEU A 41 9.357 0.323 6.178 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.970 1.799 4.750 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.186 2.731 5.655 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.438 2.379 3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.454 -0.526 4.035 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.929 0.016 3.201 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.020 -1.277 4.420 1.00 0.00 H new ATOM 659 N SER A 42 13.174 2.429 8.234 1.00 0.00 N ATOM 660 CA SER A 42 14.460 2.254 8.883 1.00 0.00 C ATOM 661 C SER A 42 14.549 0.874 9.526 1.00 0.00 C ATOM 662 O SER A 42 15.562 0.172 9.385 1.00 0.00 O ATOM 663 CB SER A 42 14.675 3.324 9.955 1.00 0.00 C ATOM 664 OG SER A 42 14.155 4.586 9.509 1.00 0.00 O ATOM 0 H SER A 42 12.633 3.232 8.554 1.00 0.00 H new ATOM 0 HA SER A 42 15.235 2.350 8.122 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.182 3.026 10.880 1.00 0.00 H new ATOM 0 HB3 SER A 42 15.738 3.419 10.176 1.00 0.00 H new ATOM 0 HG SER A 42 14.104 4.591 8.530 1.00 0.00 H new ATOM 670 N GLY A 43 13.492 0.470 10.198 1.00 0.00 N ATOM 671 CA GLY A 43 13.461 -0.837 10.830 1.00 0.00 C ATOM 672 C GLY A 43 13.380 -1.953 9.799 1.00 0.00 C ATOM 673 O GLY A 43 14.097 -2.954 9.887 1.00 0.00 O ATOM 0 H GLY A 43 12.644 1.024 10.322 1.00 0.00 H new ATOM 0 HA2 GLY A 43 14.354 -0.968 11.441 1.00 0.00 H new ATOM 0 HA3 GLY A 43 12.604 -0.898 11.501 1.00 0.00 H new ATOM 677 N PHE A 44 12.506 -1.783 8.818 1.00 0.00 N ATOM 678 CA PHE A 44 12.320 -2.790 7.787 1.00 0.00 C ATOM 679 C PHE A 44 13.532 -2.875 6.898 1.00 0.00 C ATOM 680 O PHE A 44 14.003 -3.963 6.563 1.00 0.00 O ATOM 681 CB PHE A 44 11.049 -2.528 6.955 1.00 0.00 C ATOM 682 CG PHE A 44 9.818 -2.936 7.741 1.00 0.00 C ATOM 683 CD1 PHE A 44 9.644 -4.267 8.104 1.00 0.00 C ATOM 684 CD2 PHE A 44 8.856 -1.986 8.105 1.00 0.00 C ATOM 685 CE1 PHE A 44 8.522 -4.663 8.825 1.00 0.00 C ATOM 686 CE2 PHE A 44 7.725 -2.381 8.830 1.00 0.00 C ATOM 687 CZ PHE A 44 7.558 -3.721 9.188 1.00 0.00 C ATOM 0 H PHE A 44 11.916 -0.958 8.715 1.00 0.00 H new ATOM 0 HA PHE A 44 12.191 -3.750 8.288 1.00 0.00 H new ATOM 0 HB2 PHE A 44 10.988 -1.472 6.692 1.00 0.00 H new ATOM 0 HB3 PHE A 44 11.095 -3.087 6.020 1.00 0.00 H new ATOM 0 HD1 PHE A 44 10.386 -5.000 7.824 1.00 0.00 H new ATOM 0 HD2 PHE A 44 8.986 -0.950 7.827 1.00 0.00 H new ATOM 0 HE1 PHE A 44 8.397 -5.699 9.104 1.00 0.00 H new ATOM 0 HE2 PHE A 44 6.982 -1.650 9.112 1.00 0.00 H new ATOM 0 HZ PHE A 44 6.685 -4.028 9.745 1.00 0.00 H new ATOM 697 N LEU A 45 14.071 -1.726 6.564 1.00 0.00 N ATOM 698 CA LEU A 45 15.249 -1.659 5.746 1.00 0.00 C ATOM 699 C LEU A 45 16.420 -2.336 6.426 1.00 0.00 C ATOM 700 O LEU A 45 17.110 -3.144 5.820 1.00 0.00 O ATOM 701 CB LEU A 45 15.578 -0.196 5.441 1.00 0.00 C ATOM 702 CG LEU A 45 16.926 -0.103 4.743 1.00 0.00 C ATOM 703 CD1 LEU A 45 16.928 -0.921 3.443 1.00 0.00 C ATOM 704 CD2 LEU A 45 17.247 1.354 4.433 1.00 0.00 C ATOM 0 H LEU A 45 13.704 -0.819 6.852 1.00 0.00 H new ATOM 0 HA LEU A 45 15.057 -2.186 4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.801 0.236 4.810 1.00 0.00 H new ATOM 0 HB3 LEU A 45 15.597 0.382 6.365 1.00 0.00 H new ATOM 0 HG LEU A 45 17.686 -0.511 5.409 1.00 0.00 H new ATOM 0 HD11 LEU A 45 17.903 -0.838 2.963 1.00 0.00 H new ATOM 0 HD12 LEU A 45 16.723 -1.967 3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 45 16.159 -0.539 2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 45 18.214 1.415 3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 45 16.475 1.766 3.783 1.00 0.00 H new ATOM 0 HD23 LEU A 45 17.282 1.924 5.361 1.00 0.00 H new ATOM 716 N ASP A 46 16.613 -2.031 7.694 1.00 0.00 N ATOM 717 CA ASP A 46 17.689 -2.632 8.465 1.00 0.00 C ATOM 718 C ASP A 46 17.499 -4.135 8.605 1.00 0.00 C ATOM 719 O ASP A 46 18.467 -4.907 8.583 1.00 0.00 O ATOM 720 CB ASP A 46 17.757 -1.996 9.852 1.00 0.00 C ATOM 721 CG ASP A 46 18.825 -2.669 10.679 1.00 0.00 C ATOM 722 OD1 ASP A 46 19.986 -2.502 10.368 1.00 0.00 O ATOM 723 OD2 ASP A 46 18.472 -3.333 11.629 1.00 0.00 O ATOM 0 H ASP A 46 16.038 -1.369 8.215 1.00 0.00 H new ATOM 0 HA ASP A 46 18.622 -2.452 7.931 1.00 0.00 H new ATOM 0 HB2 ASP A 46 17.973 -0.931 9.762 1.00 0.00 H new ATOM 0 HB3 ASP A 46 16.791 -2.085 10.349 1.00 0.00 H new ATOM 728 N ALA A 47 16.265 -4.533 8.864 1.00 0.00 N ATOM 729 CA ALA A 47 15.958 -5.930 9.151 1.00 0.00 C ATOM 730 C ALA A 47 16.291 -6.860 7.988 1.00 0.00 C ATOM 731 O ALA A 47 16.815 -7.958 8.201 1.00 0.00 O ATOM 732 CB ALA A 47 14.489 -6.087 9.538 1.00 0.00 C ATOM 0 H ALA A 47 15.457 -3.911 8.882 1.00 0.00 H new ATOM 0 HA ALA A 47 16.591 -6.221 9.989 1.00 0.00 H new ATOM 0 HB1 ALA A 47 14.278 -7.136 9.749 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.281 -5.490 10.426 1.00 0.00 H new ATOM 0 HB3 ALA A 47 13.858 -5.748 8.716 1.00 0.00 H new ATOM 738 N GLN A 48 15.931 -6.468 6.768 1.00 0.00 N ATOM 739 CA GLN A 48 16.151 -7.341 5.607 1.00 0.00 C ATOM 740 C GLN A 48 17.155 -6.766 4.611 1.00 0.00 C ATOM 741 O GLN A 48 17.009 -6.955 3.408 1.00 0.00 O ATOM 742 CB GLN A 48 14.824 -7.708 4.900 1.00 0.00 C ATOM 743 CG GLN A 48 13.883 -6.503 4.836 1.00 0.00 C ATOM 744 CD GLN A 48 14.344 -5.539 3.761 1.00 0.00 C ATOM 745 OE1 GLN A 48 14.117 -5.779 2.584 1.00 0.00 O ATOM 746 NE2 GLN A 48 14.972 -4.460 4.094 1.00 0.00 N ATOM 0 H GLN A 48 15.494 -5.571 6.555 1.00 0.00 H new ATOM 0 HA GLN A 48 16.587 -8.257 6.005 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.032 -8.065 3.891 1.00 0.00 H new ATOM 0 HB3 GLN A 48 14.338 -8.525 5.433 1.00 0.00 H new ATOM 0 HG2 GLN A 48 12.867 -6.836 4.625 1.00 0.00 H new ATOM 0 HG3 GLN A 48 13.859 -5.999 5.802 1.00 0.00 H new ATOM 0 HE21 GLN A 48 15.160 -4.262 5.077 1.00 0.00 H new ATOM 0 HE22 GLN A 48 15.280 -3.806 3.374 1.00 0.00 H new ATOM 755 N LYS A 49 18.239 -6.195 5.112 1.00 0.00 N ATOM 756 CA LYS A 49 19.307 -5.715 4.235 1.00 0.00 C ATOM 757 C LYS A 49 19.896 -6.879 3.467 1.00 0.00 C ATOM 758 O LYS A 49 20.255 -6.757 2.294 1.00 0.00 O ATOM 759 CB LYS A 49 20.427 -5.058 5.046 1.00 0.00 C ATOM 760 CG LYS A 49 19.950 -3.741 5.660 1.00 0.00 C ATOM 761 CD LYS A 49 21.076 -3.132 6.512 1.00 0.00 C ATOM 762 CE LYS A 49 22.133 -2.472 5.611 1.00 0.00 C ATOM 763 NZ LYS A 49 23.203 -3.453 5.279 1.00 0.00 N ATOM 0 H LYS A 49 18.406 -6.052 6.108 1.00 0.00 H new ATOM 0 HA LYS A 49 18.878 -4.982 3.552 1.00 0.00 H new ATOM 0 HB2 LYS A 49 20.756 -5.734 5.835 1.00 0.00 H new ATOM 0 HB3 LYS A 49 21.288 -4.874 4.404 1.00 0.00 H new ATOM 0 HG2 LYS A 49 19.659 -3.045 4.873 1.00 0.00 H new ATOM 0 HG3 LYS A 49 19.067 -3.914 6.275 1.00 0.00 H new ATOM 0 HD2 LYS A 49 20.662 -2.394 7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 49 21.541 -3.908 7.120 1.00 0.00 H new ATOM 0 HE2 LYS A 49 21.666 -2.107 4.696 1.00 0.00 H new ATOM 0 HE3 LYS A 49 22.564 -1.608 6.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 24.128 -3.061 5.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 23.037 -4.337 5.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 23.192 -3.646 4.257 1.00 0.00 H new ATOM 777 N ASP A 50 20.055 -7.986 4.163 1.00 0.00 N ATOM 778 CA ASP A 50 20.668 -9.174 3.594 1.00 0.00 C ATOM 779 C ASP A 50 19.817 -9.765 2.481 1.00 0.00 C ATOM 780 O ASP A 50 20.322 -10.503 1.625 1.00 0.00 O ATOM 781 CB ASP A 50 20.948 -10.221 4.677 1.00 0.00 C ATOM 782 CG ASP A 50 21.907 -11.275 4.158 1.00 0.00 C ATOM 783 OD1 ASP A 50 22.970 -10.911 3.694 1.00 0.00 O ATOM 784 OD2 ASP A 50 21.578 -12.436 4.239 1.00 0.00 O ATOM 0 H ASP A 50 19.765 -8.090 5.135 1.00 0.00 H new ATOM 0 HA ASP A 50 21.620 -8.871 3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 50 21.371 -9.738 5.558 1.00 0.00 H new ATOM 0 HB3 ASP A 50 20.015 -10.691 4.988 1.00 0.00 H new ATOM 789 N VAL A 51 18.539 -9.430 2.467 1.00 0.00 N ATOM 790 CA VAL A 51 17.660 -9.923 1.428 1.00 0.00 C ATOM 791 C VAL A 51 17.898 -9.116 0.172 1.00 0.00 C ATOM 792 O VAL A 51 17.448 -7.982 0.060 1.00 0.00 O ATOM 793 CB VAL A 51 16.193 -9.810 1.871 1.00 0.00 C ATOM 794 CG1 VAL A 51 15.302 -10.679 0.971 1.00 0.00 C ATOM 795 CG2 VAL A 51 16.056 -10.284 3.324 1.00 0.00 C ATOM 0 H VAL A 51 18.093 -8.825 3.156 1.00 0.00 H new ATOM 0 HA VAL A 51 17.871 -10.975 1.234 1.00 0.00 H new ATOM 0 HB VAL A 51 15.880 -8.769 1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 51 14.264 -10.592 1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 51 15.391 -10.343 -0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 51 15.618 -11.720 1.042 1.00 0.00 H new ATOM 0 HG21 VAL A 51 15.015 -10.203 3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 51 16.378 -11.323 3.400 1.00 0.00 H new ATOM 0 HG23 VAL A 51 16.678 -9.663 3.969 1.00 0.00 H new ATOM 805 N ASP A 52 18.619 -9.710 -0.763 1.00 0.00 N ATOM 806 CA ASP A 52 18.988 -9.035 -2.002 1.00 0.00 C ATOM 807 C ASP A 52 17.785 -8.361 -2.617 1.00 0.00 C ATOM 808 O ASP A 52 17.900 -7.319 -3.268 1.00 0.00 O ATOM 809 CB ASP A 52 19.562 -10.040 -2.989 1.00 0.00 C ATOM 810 CG ASP A 52 19.996 -9.331 -4.256 1.00 0.00 C ATOM 811 OD1 ASP A 52 20.891 -8.512 -4.171 1.00 0.00 O ATOM 812 OD2 ASP A 52 19.437 -9.616 -5.292 1.00 0.00 O ATOM 0 H ASP A 52 18.965 -10.667 -0.689 1.00 0.00 H new ATOM 0 HA ASP A 52 19.739 -8.279 -1.771 1.00 0.00 H new ATOM 0 HB2 ASP A 52 20.411 -10.557 -2.542 1.00 0.00 H new ATOM 0 HB3 ASP A 52 18.815 -10.798 -3.224 1.00 0.00 H new ATOM 817 N ALA A 53 16.625 -8.946 -2.386 1.00 0.00 N ATOM 818 CA ALA A 53 15.392 -8.399 -2.903 1.00 0.00 C ATOM 819 C ALA A 53 15.231 -6.948 -2.483 1.00 0.00 C ATOM 820 O ALA A 53 14.651 -6.159 -3.217 1.00 0.00 O ATOM 821 CB ALA A 53 14.187 -9.211 -2.419 1.00 0.00 C ATOM 0 H ALA A 53 16.514 -9.802 -1.842 1.00 0.00 H new ATOM 0 HA ALA A 53 15.437 -8.452 -3.991 1.00 0.00 H new ATOM 0 HB1 ALA A 53 13.271 -8.779 -2.822 1.00 0.00 H new ATOM 0 HB2 ALA A 53 14.282 -10.242 -2.760 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.149 -9.191 -1.330 1.00 0.00 H new ATOM 827 N VAL A 54 15.794 -6.575 -1.332 1.00 0.00 N ATOM 828 CA VAL A 54 15.673 -5.198 -0.870 1.00 0.00 C ATOM 829 C VAL A 54 16.253 -4.262 -1.916 1.00 0.00 C ATOM 830 O VAL A 54 15.623 -3.275 -2.305 1.00 0.00 O ATOM 831 CB VAL A 54 16.380 -5.001 0.500 1.00 0.00 C ATOM 832 CG1 VAL A 54 17.905 -5.140 0.363 1.00 0.00 C ATOM 833 CG2 VAL A 54 16.055 -3.614 1.073 1.00 0.00 C ATOM 0 H VAL A 54 16.325 -7.193 -0.718 1.00 0.00 H new ATOM 0 HA VAL A 54 14.617 -4.966 -0.727 1.00 0.00 H new ATOM 0 HB VAL A 54 16.013 -5.775 1.174 1.00 0.00 H new ATOM 0 HG11 VAL A 54 18.372 -4.997 1.337 1.00 0.00 H new ATOM 0 HG12 VAL A 54 18.147 -6.134 -0.014 1.00 0.00 H new ATOM 0 HG13 VAL A 54 18.278 -4.388 -0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 54 16.557 -3.490 2.033 1.00 0.00 H new ATOM 0 HG22 VAL A 54 16.399 -2.845 0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 54 14.978 -3.521 1.212 1.00 0.00 H new ATOM 843 N ASP A 55 17.415 -4.631 -2.436 1.00 0.00 N ATOM 844 CA ASP A 55 18.061 -3.852 -3.488 1.00 0.00 C ATOM 845 C ASP A 55 17.163 -3.795 -4.708 1.00 0.00 C ATOM 846 O ASP A 55 16.928 -2.727 -5.294 1.00 0.00 O ATOM 847 CB ASP A 55 19.373 -4.525 -3.890 1.00 0.00 C ATOM 848 CG ASP A 55 20.190 -3.586 -4.739 1.00 0.00 C ATOM 849 OD1 ASP A 55 20.682 -2.619 -4.198 1.00 0.00 O ATOM 850 OD2 ASP A 55 20.328 -3.847 -5.917 1.00 0.00 O ATOM 0 H ASP A 55 17.931 -5.463 -2.149 1.00 0.00 H new ATOM 0 HA ASP A 55 18.251 -2.846 -3.115 1.00 0.00 H new ATOM 0 HB2 ASP A 55 19.935 -4.807 -3.000 1.00 0.00 H new ATOM 0 HB3 ASP A 55 19.168 -5.443 -4.441 1.00 0.00 H new ATOM 855 N LYS A 56 16.679 -4.959 -5.091 1.00 0.00 N ATOM 856 CA LYS A 56 15.808 -5.105 -6.241 1.00 0.00 C ATOM 857 C LYS A 56 14.486 -4.387 -6.037 1.00 0.00 C ATOM 858 O LYS A 56 14.012 -3.701 -6.930 1.00 0.00 O ATOM 859 CB LYS A 56 15.603 -6.581 -6.561 1.00 0.00 C ATOM 860 CG LYS A 56 16.919 -7.145 -7.122 1.00 0.00 C ATOM 861 CD LYS A 56 16.779 -8.643 -7.381 1.00 0.00 C ATOM 862 CE LYS A 56 18.012 -9.159 -8.140 1.00 0.00 C ATOM 863 NZ LYS A 56 19.247 -8.651 -7.497 1.00 0.00 N ATOM 0 H LYS A 56 16.880 -5.836 -4.611 1.00 0.00 H new ATOM 0 HA LYS A 56 16.291 -4.634 -7.097 1.00 0.00 H new ATOM 0 HB2 LYS A 56 15.309 -7.126 -5.664 1.00 0.00 H new ATOM 0 HB3 LYS A 56 14.799 -6.703 -7.286 1.00 0.00 H new ATOM 0 HG2 LYS A 56 17.179 -6.631 -8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 56 17.731 -6.964 -6.418 1.00 0.00 H new ATOM 0 HD2 LYS A 56 16.673 -9.176 -6.436 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.876 -8.838 -7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 56 18.016 -10.249 -8.146 1.00 0.00 H new ATOM 0 HE3 LYS A 56 17.972 -8.834 -9.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 20.077 -9.083 -7.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 19.294 -7.617 -7.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 19.238 -8.896 -6.486 1.00 0.00 H new ATOM 877 N VAL A 57 13.940 -4.475 -4.835 1.00 0.00 N ATOM 878 CA VAL A 57 12.690 -3.797 -4.525 1.00 0.00 C ATOM 879 C VAL A 57 12.879 -2.303 -4.741 1.00 0.00 C ATOM 880 O VAL A 57 12.072 -1.646 -5.411 1.00 0.00 O ATOM 881 CB VAL A 57 12.286 -4.085 -3.062 1.00 0.00 C ATOM 882 CG1 VAL A 57 11.067 -3.252 -2.675 1.00 0.00 C ATOM 883 CG2 VAL A 57 11.950 -5.568 -2.891 1.00 0.00 C ATOM 0 H VAL A 57 14.339 -5.006 -4.061 1.00 0.00 H new ATOM 0 HA VAL A 57 11.895 -4.160 -5.177 1.00 0.00 H new ATOM 0 HB VAL A 57 13.125 -3.822 -2.417 1.00 0.00 H new ATOM 0 HG11 VAL A 57 10.794 -3.465 -1.642 1.00 0.00 H new ATOM 0 HG12 VAL A 57 11.303 -2.193 -2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 57 10.232 -3.502 -3.330 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.667 -5.760 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.122 -5.832 -3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.822 -6.170 -3.146 1.00 0.00 H new ATOM 893 N MET A 58 13.990 -1.792 -4.247 1.00 0.00 N ATOM 894 CA MET A 58 14.340 -0.396 -4.439 1.00 0.00 C ATOM 895 C MET A 58 14.482 -0.118 -5.923 1.00 0.00 C ATOM 896 O MET A 58 14.005 0.901 -6.435 1.00 0.00 O ATOM 897 CB MET A 58 15.687 -0.116 -3.759 1.00 0.00 C ATOM 898 CG MET A 58 15.621 -0.506 -2.288 1.00 0.00 C ATOM 899 SD MET A 58 15.454 0.978 -1.277 1.00 0.00 S ATOM 900 CE MET A 58 17.218 1.412 -1.245 1.00 0.00 C ATOM 0 H MET A 58 14.670 -2.326 -3.706 1.00 0.00 H new ATOM 0 HA MET A 58 13.563 0.237 -4.010 1.00 0.00 H new ATOM 0 HB2 MET A 58 16.478 -0.677 -4.257 1.00 0.00 H new ATOM 0 HB3 MET A 58 15.938 0.941 -3.852 1.00 0.00 H new ATOM 0 HG2 MET A 58 14.776 -1.173 -2.116 1.00 0.00 H new ATOM 0 HG3 MET A 58 16.521 -1.052 -2.005 1.00 0.00 H new ATOM 0 HE1 MET A 58 17.358 2.321 -0.661 1.00 0.00 H new ATOM 0 HE2 MET A 58 17.785 0.599 -0.792 1.00 0.00 H new ATOM 0 HE3 MET A 58 17.571 1.577 -2.263 1.00 0.00 H new ATOM 910 N LYS A 59 15.146 -1.033 -6.601 1.00 0.00 N ATOM 911 CA LYS A 59 15.383 -0.915 -8.023 1.00 0.00 C ATOM 912 C LYS A 59 14.104 -1.006 -8.830 1.00 0.00 C ATOM 913 O LYS A 59 13.854 -0.200 -9.725 1.00 0.00 O ATOM 914 CB LYS A 59 16.321 -2.039 -8.457 1.00 0.00 C ATOM 915 CG LYS A 59 16.572 -1.924 -9.965 1.00 0.00 C ATOM 916 CD LYS A 59 17.590 -2.971 -10.428 1.00 0.00 C ATOM 917 CE LYS A 59 16.954 -4.371 -10.404 1.00 0.00 C ATOM 918 NZ LYS A 59 15.922 -4.494 -11.480 1.00 0.00 N ATOM 0 H LYS A 59 15.535 -1.877 -6.181 1.00 0.00 H new ATOM 0 HA LYS A 59 15.823 0.065 -8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 59 17.263 -1.975 -7.912 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.882 -3.008 -8.221 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.635 -2.057 -10.505 1.00 0.00 H new ATOM 0 HG3 LYS A 59 16.937 -0.925 -10.202 1.00 0.00 H new ATOM 0 HD2 LYS A 59 17.933 -2.736 -11.436 1.00 0.00 H new ATOM 0 HD3 LYS A 59 18.466 -2.950 -9.780 1.00 0.00 H new ATOM 0 HE2 LYS A 59 17.724 -5.130 -10.542 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.498 -4.553 -9.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.125 -5.065 -11.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 15.581 -3.548 -11.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.342 -4.955 -12.312 1.00 0.00 H new ATOM 932 N GLU A 60 13.343 -2.030 -8.560 1.00 0.00 N ATOM 933 CA GLU A 60 12.177 -2.353 -9.351 1.00 0.00 C ATOM 934 C GLU A 60 11.144 -1.251 -9.305 1.00 0.00 C ATOM 935 O GLU A 60 10.659 -0.793 -10.353 1.00 0.00 O ATOM 936 CB GLU A 60 11.606 -3.665 -8.850 1.00 0.00 C ATOM 937 CG GLU A 60 12.541 -4.817 -9.250 1.00 0.00 C ATOM 938 CD GLU A 60 12.101 -6.128 -8.622 1.00 0.00 C ATOM 939 OE1 GLU A 60 11.159 -6.125 -7.855 1.00 0.00 O ATOM 940 OE2 GLU A 60 12.723 -7.122 -8.912 1.00 0.00 O ATOM 0 H GLU A 60 13.510 -2.670 -7.783 1.00 0.00 H new ATOM 0 HA GLU A 60 12.469 -2.453 -10.396 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.492 -3.634 -7.766 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.613 -3.826 -9.270 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.554 -4.917 -10.335 1.00 0.00 H new ATOM 0 HG3 GLU A 60 13.560 -4.586 -8.939 1.00 0.00 H new ATOM 947 N LEU A 61 10.886 -0.750 -8.126 1.00 0.00 N ATOM 948 CA LEU A 61 9.999 0.380 -8.001 1.00 0.00 C ATOM 949 C LEU A 61 10.606 1.589 -8.689 1.00 0.00 C ATOM 950 O LEU A 61 9.917 2.322 -9.409 1.00 0.00 O ATOM 951 CB LEU A 61 9.656 0.666 -6.538 1.00 0.00 C ATOM 952 CG LEU A 61 8.513 -0.267 -6.078 1.00 0.00 C ATOM 953 CD1 LEU A 61 7.177 0.175 -6.692 1.00 0.00 C ATOM 954 CD2 LEU A 61 8.810 -1.720 -6.480 1.00 0.00 C ATOM 0 H LEU A 61 11.271 -1.099 -7.248 1.00 0.00 H new ATOM 0 HA LEU A 61 9.058 0.142 -8.497 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.536 0.515 -5.912 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.357 1.708 -6.422 1.00 0.00 H new ATOM 0 HG LEU A 61 8.442 -0.206 -4.992 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.384 -0.493 -6.357 1.00 0.00 H new ATOM 0 HD12 LEU A 61 6.951 1.193 -6.376 1.00 0.00 H new ATOM 0 HD13 LEU A 61 7.247 0.139 -7.779 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.995 -2.363 -6.148 1.00 0.00 H new ATOM 0 HD22 LEU A 61 8.906 -1.785 -7.564 1.00 0.00 H new ATOM 0 HD23 LEU A 61 9.740 -2.044 -6.013 1.00 0.00 H new ATOM 966 N ASP A 62 11.919 1.753 -8.542 1.00 0.00 N ATOM 967 CA ASP A 62 12.602 2.841 -9.211 1.00 0.00 C ATOM 968 C ASP A 62 12.461 2.721 -10.710 1.00 0.00 C ATOM 969 O ASP A 62 12.199 3.716 -11.384 1.00 0.00 O ATOM 970 CB ASP A 62 14.081 2.907 -8.840 1.00 0.00 C ATOM 971 CG ASP A 62 14.743 4.054 -9.587 1.00 0.00 C ATOM 972 OD1 ASP A 62 14.402 5.196 -9.323 1.00 0.00 O ATOM 973 OD2 ASP A 62 15.570 3.783 -10.419 1.00 0.00 O ATOM 0 H ASP A 62 12.517 1.153 -7.974 1.00 0.00 H new ATOM 0 HA ASP A 62 12.129 3.763 -8.874 1.00 0.00 H new ATOM 0 HB2 ASP A 62 14.191 3.048 -7.765 1.00 0.00 H new ATOM 0 HB3 ASP A 62 14.571 1.966 -9.089 1.00 0.00 H new ATOM 978 N GLU A 63 12.593 1.507 -11.232 1.00 0.00 N ATOM 979 CA GLU A 63 12.456 1.294 -12.665 1.00 0.00 C ATOM 980 C GLU A 63 11.046 1.633 -13.110 1.00 0.00 C ATOM 981 O GLU A 63 10.846 2.337 -14.105 1.00 0.00 O ATOM 982 CB GLU A 63 12.806 -0.145 -13.040 1.00 0.00 C ATOM 983 CG GLU A 63 14.293 -0.367 -12.791 1.00 0.00 C ATOM 984 CD GLU A 63 14.693 -1.774 -13.163 1.00 0.00 C ATOM 985 OE1 GLU A 63 14.574 -2.643 -12.335 1.00 0.00 O ATOM 986 OE2 GLU A 63 15.113 -1.967 -14.278 1.00 0.00 O ATOM 0 H GLU A 63 12.792 0.666 -10.691 1.00 0.00 H new ATOM 0 HA GLU A 63 13.155 1.954 -13.179 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.215 -0.844 -12.448 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.566 -0.332 -14.087 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.875 0.348 -13.373 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.522 -0.184 -11.741 1.00 0.00 H new ATOM 993 N ASN A 64 10.072 1.240 -12.302 1.00 0.00 N ATOM 994 CA ASN A 64 8.686 1.622 -12.554 1.00 0.00 C ATOM 995 C ASN A 64 8.534 3.118 -12.489 1.00 0.00 C ATOM 996 O ASN A 64 7.881 3.728 -13.341 1.00 0.00 O ATOM 997 CB ASN A 64 7.764 1.001 -11.522 1.00 0.00 C ATOM 998 CG ASN A 64 7.235 -0.346 -11.993 1.00 0.00 C ATOM 999 OD1 ASN A 64 6.168 -0.776 -11.550 1.00 0.00 O ATOM 1000 ND2 ASN A 64 7.903 -1.042 -12.865 1.00 0.00 N ATOM 0 H ASN A 64 10.211 0.662 -11.473 1.00 0.00 H new ATOM 0 HA ASN A 64 8.419 1.264 -13.548 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.300 0.875 -10.581 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.929 1.674 -11.325 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.544 -1.943 -13.182 1.00 0.00 H new ATOM 0 HD22 ASN A 64 8.786 -0.687 -13.232 1.00 0.00 H new ATOM 1007 N GLY A 65 9.151 3.717 -11.492 1.00 0.00 N ATOM 1008 CA GLY A 65 9.082 5.153 -11.320 1.00 0.00 C ATOM 1009 C GLY A 65 9.932 5.842 -12.353 1.00 0.00 C ATOM 1010 O GLY A 65 10.782 6.673 -12.020 1.00 0.00 O ATOM 0 H GLY A 65 9.706 3.231 -10.788 1.00 0.00 H new ATOM 0 HA2 GLY A 65 8.048 5.488 -11.407 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.421 5.423 -10.320 1.00 0.00 H new ATOM 1014 N ASP A 66 9.749 5.458 -13.603 1.00 0.00 N ATOM 1015 CA ASP A 66 10.538 6.025 -14.677 1.00 0.00 C ATOM 1016 C ASP A 66 10.241 7.501 -14.769 1.00 0.00 C ATOM 1017 O ASP A 66 11.137 8.322 -14.973 1.00 0.00 O ATOM 1018 CB ASP A 66 10.214 5.351 -16.012 1.00 0.00 C ATOM 1019 CG ASP A 66 11.377 5.521 -16.959 1.00 0.00 C ATOM 1020 OD1 ASP A 66 12.284 4.719 -16.883 1.00 0.00 O ATOM 1021 OD2 ASP A 66 11.367 6.451 -17.733 1.00 0.00 O ATOM 0 H ASP A 66 9.065 4.760 -13.897 1.00 0.00 H new ATOM 0 HA ASP A 66 11.595 5.863 -14.464 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.010 4.292 -15.856 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.314 5.789 -16.443 1.00 0.00 H new ATOM 1026 N GLY A 67 8.986 7.838 -14.537 1.00 0.00 N ATOM 1027 CA GLY A 67 8.555 9.231 -14.522 1.00 0.00 C ATOM 1028 C GLY A 67 8.512 9.756 -13.097 1.00 0.00 C ATOM 1029 O GLY A 67 9.287 10.640 -12.719 1.00 0.00 O ATOM 0 H GLY A 67 8.241 7.165 -14.355 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.237 9.836 -15.119 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.569 9.318 -14.979 1.00 0.00 H new ATOM 1033 N GLU A 68 7.628 9.173 -12.306 1.00 0.00 N ATOM 1034 CA GLU A 68 7.467 9.515 -10.897 1.00 0.00 C ATOM 1035 C GLU A 68 7.166 8.254 -10.126 1.00 0.00 C ATOM 1036 O GLU A 68 6.893 7.216 -10.728 1.00 0.00 O ATOM 1037 CB GLU A 68 6.279 10.476 -10.696 1.00 0.00 C ATOM 1038 CG GLU A 68 6.328 11.629 -11.703 1.00 0.00 C ATOM 1039 CD GLU A 68 5.668 11.216 -13.003 1.00 0.00 C ATOM 1040 OE1 GLU A 68 4.605 10.613 -12.945 1.00 0.00 O ATOM 1041 OE2 GLU A 68 6.215 11.506 -14.039 1.00 0.00 O ATOM 0 H GLU A 68 6.993 8.441 -12.624 1.00 0.00 H new ATOM 0 HA GLU A 68 8.384 9.992 -10.551 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.342 9.930 -10.808 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.296 10.874 -9.681 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.823 12.503 -11.292 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.363 11.917 -11.887 1.00 0.00 H new ATOM 1048 N VAL A 69 6.992 8.397 -8.827 1.00 0.00 N ATOM 1049 CA VAL A 69 6.469 7.322 -8.023 1.00 0.00 C ATOM 1050 C VAL A 69 5.211 7.820 -7.320 1.00 0.00 C ATOM 1051 O VAL A 69 5.195 8.921 -6.771 1.00 0.00 O ATOM 1052 CB VAL A 69 7.526 6.821 -7.013 1.00 0.00 C ATOM 1053 CG1 VAL A 69 8.152 8.002 -6.280 1.00 0.00 C ATOM 1054 CG2 VAL A 69 6.879 5.872 -5.994 1.00 0.00 C ATOM 0 H VAL A 69 7.207 9.250 -8.310 1.00 0.00 H new ATOM 0 HA VAL A 69 6.217 6.471 -8.656 1.00 0.00 H new ATOM 0 HB VAL A 69 8.301 6.285 -7.561 1.00 0.00 H new ATOM 0 HG11 VAL A 69 8.895 7.638 -5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.632 8.664 -7.000 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.377 8.550 -5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.634 5.526 -5.288 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.092 6.399 -5.454 1.00 0.00 H new ATOM 0 HG23 VAL A 69 6.450 5.016 -6.515 1.00 0.00 H new ATOM 1064 N ASP A 70 4.130 7.082 -7.438 1.00 0.00 N ATOM 1065 CA ASP A 70 2.865 7.522 -6.856 1.00 0.00 C ATOM 1066 C ASP A 70 2.573 6.814 -5.533 1.00 0.00 C ATOM 1067 O ASP A 70 3.334 5.950 -5.099 1.00 0.00 O ATOM 1068 CB ASP A 70 1.714 7.387 -7.868 1.00 0.00 C ATOM 1069 CG ASP A 70 0.426 7.005 -7.183 1.00 0.00 C ATOM 1070 OD1 ASP A 70 -0.238 7.889 -6.684 1.00 0.00 O ATOM 1071 OD2 ASP A 70 0.120 5.844 -7.150 1.00 0.00 O ATOM 0 H ASP A 70 4.092 6.185 -7.923 1.00 0.00 H new ATOM 0 HA ASP A 70 2.956 8.582 -6.619 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.581 8.330 -8.399 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.969 6.634 -8.614 1.00 0.00 H new ATOM 1076 N PHE A 71 1.492 7.212 -4.881 1.00 0.00 N ATOM 1077 CA PHE A 71 1.129 6.671 -3.584 1.00 0.00 C ATOM 1078 C PHE A 71 0.903 5.168 -3.663 1.00 0.00 C ATOM 1079 O PHE A 71 1.429 4.406 -2.844 1.00 0.00 O ATOM 1080 CB PHE A 71 -0.129 7.358 -3.061 1.00 0.00 C ATOM 1081 CG PHE A 71 -0.432 6.863 -1.667 1.00 0.00 C ATOM 1082 CD1 PHE A 71 0.353 7.293 -0.597 1.00 0.00 C ATOM 1083 CD2 PHE A 71 -1.498 5.982 -1.443 1.00 0.00 C ATOM 1084 CE1 PHE A 71 0.082 6.847 0.693 1.00 0.00 C ATOM 1085 CE2 PHE A 71 -1.769 5.534 -0.146 1.00 0.00 C ATOM 1086 CZ PHE A 71 -0.980 5.970 0.920 1.00 0.00 C ATOM 0 H PHE A 71 0.845 7.916 -5.235 1.00 0.00 H new ATOM 0 HA PHE A 71 1.954 6.859 -2.896 1.00 0.00 H new ATOM 0 HB2 PHE A 71 0.011 8.439 -3.052 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.970 7.151 -3.722 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.173 7.974 -0.770 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -2.109 5.650 -2.269 1.00 0.00 H new ATOM 0 HE1 PHE A 71 0.694 7.179 1.519 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.587 4.852 0.031 1.00 0.00 H new ATOM 0 HZ PHE A 71 -1.192 5.628 1.922 1.00 0.00 H new ATOM 1096 N GLN A 72 0.173 4.737 -4.681 1.00 0.00 N ATOM 1097 CA GLN A 72 -0.069 3.314 -4.883 1.00 0.00 C ATOM 1098 C GLN A 72 1.259 2.602 -5.075 1.00 0.00 C ATOM 1099 O GLN A 72 1.514 1.539 -4.502 1.00 0.00 O ATOM 1100 CB GLN A 72 -0.946 3.104 -6.125 1.00 0.00 C ATOM 1101 CG GLN A 72 -2.381 3.566 -5.857 1.00 0.00 C ATOM 1102 CD GLN A 72 -3.191 3.481 -7.147 1.00 0.00 C ATOM 1103 OE1 GLN A 72 -3.713 2.423 -7.489 1.00 0.00 O ATOM 1104 NE2 GLN A 72 -3.324 4.529 -7.889 1.00 0.00 N ATOM 0 H GLN A 72 -0.260 5.346 -5.376 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.582 2.908 -4.011 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.531 3.658 -6.967 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.944 2.050 -6.404 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -2.837 2.944 -5.087 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -2.381 4.589 -5.482 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.893 5.410 -7.609 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.861 4.476 -8.755 1.00 0.00 H new ATOM 1113 N GLU A 73 2.119 3.234 -5.835 1.00 0.00 N ATOM 1114 CA GLU A 73 3.459 2.733 -6.090 1.00 0.00 C ATOM 1115 C GLU A 73 4.287 2.796 -4.797 1.00 0.00 C ATOM 1116 O GLU A 73 5.045 1.883 -4.470 1.00 0.00 O ATOM 1117 CB GLU A 73 4.083 3.609 -7.173 1.00 0.00 C ATOM 1118 CG GLU A 73 3.272 3.422 -8.468 1.00 0.00 C ATOM 1119 CD GLU A 73 3.665 4.444 -9.512 1.00 0.00 C ATOM 1120 OE1 GLU A 73 4.623 5.142 -9.298 1.00 0.00 O ATOM 1121 OE2 GLU A 73 2.984 4.529 -10.515 1.00 0.00 O ATOM 0 H GLU A 73 1.913 4.118 -6.300 1.00 0.00 H new ATOM 0 HA GLU A 73 3.431 1.695 -6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.075 4.655 -6.867 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.125 3.331 -7.333 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.434 2.418 -8.860 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.208 3.512 -8.250 1.00 0.00 H new ATOM 1128 N TYR A 74 4.123 3.884 -4.073 1.00 0.00 N ATOM 1129 CA TYR A 74 4.821 4.094 -2.812 1.00 0.00 C ATOM 1130 C TYR A 74 4.462 3.024 -1.786 1.00 0.00 C ATOM 1131 O TYR A 74 5.348 2.455 -1.139 1.00 0.00 O ATOM 1132 CB TYR A 74 4.515 5.503 -2.273 1.00 0.00 C ATOM 1133 CG TYR A 74 5.066 5.694 -0.871 1.00 0.00 C ATOM 1134 CD1 TYR A 74 6.423 5.485 -0.603 1.00 0.00 C ATOM 1135 CD2 TYR A 74 4.204 6.097 0.160 1.00 0.00 C ATOM 1136 CE1 TYR A 74 6.915 5.675 0.693 1.00 0.00 C ATOM 1137 CE2 TYR A 74 4.696 6.288 1.454 1.00 0.00 C ATOM 1138 CZ TYR A 74 6.049 6.078 1.721 1.00 0.00 C ATOM 1139 OH TYR A 74 6.534 6.263 2.998 1.00 0.00 O ATOM 0 H TYR A 74 3.504 4.650 -4.338 1.00 0.00 H new ATOM 0 HA TYR A 74 5.892 4.012 -2.996 1.00 0.00 H new ATOM 0 HB2 TYR A 74 4.946 6.250 -2.939 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.437 5.665 -2.267 1.00 0.00 H new ATOM 0 HD1 TYR A 74 7.090 5.178 -1.395 1.00 0.00 H new ATOM 0 HD2 TYR A 74 3.157 6.260 -0.047 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.962 5.511 0.902 1.00 0.00 H new ATOM 0 HE2 TYR A 74 4.030 6.598 2.246 1.00 0.00 H new ATOM 0 HH TYR A 74 5.803 6.543 3.588 1.00 0.00 H new ATOM 1149 N VAL A 75 3.172 2.751 -1.627 1.00 0.00 N ATOM 1150 CA VAL A 75 2.744 1.775 -0.637 1.00 0.00 C ATOM 1151 C VAL A 75 3.277 0.376 -0.955 1.00 0.00 C ATOM 1152 O VAL A 75 3.716 -0.354 -0.059 1.00 0.00 O ATOM 1153 CB VAL A 75 1.214 1.767 -0.473 1.00 0.00 C ATOM 1154 CG1 VAL A 75 0.728 3.179 -0.112 1.00 0.00 C ATOM 1155 CG2 VAL A 75 0.538 1.309 -1.769 1.00 0.00 C ATOM 0 H VAL A 75 2.418 3.183 -2.161 1.00 0.00 H new ATOM 0 HA VAL A 75 3.174 2.078 0.318 1.00 0.00 H new ATOM 0 HB VAL A 75 0.951 1.072 0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.356 3.172 0.004 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.191 3.495 0.823 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.004 3.873 -0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.544 1.309 -1.635 1.00 0.00 H new ATOM 0 HG22 VAL A 75 0.804 1.989 -2.578 1.00 0.00 H new ATOM 0 HG23 VAL A 75 0.872 0.302 -2.018 1.00 0.00 H new ATOM 1165 N VAL A 76 3.244 0.001 -2.226 1.00 0.00 N ATOM 1166 CA VAL A 76 3.727 -1.310 -2.617 1.00 0.00 C ATOM 1167 C VAL A 76 5.225 -1.430 -2.359 1.00 0.00 C ATOM 1168 O VAL A 76 5.700 -2.473 -1.898 1.00 0.00 O ATOM 1169 CB VAL A 76 3.359 -1.644 -4.081 1.00 0.00 C ATOM 1170 CG1 VAL A 76 3.997 -0.645 -5.043 1.00 0.00 C ATOM 1171 CG2 VAL A 76 3.819 -3.064 -4.433 1.00 0.00 C ATOM 0 H VAL A 76 2.893 0.577 -2.991 1.00 0.00 H new ATOM 0 HA VAL A 76 3.225 -2.053 -1.997 1.00 0.00 H new ATOM 0 HB VAL A 76 2.275 -1.581 -4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.724 -0.900 -6.067 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.642 0.360 -4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.081 -0.680 -4.937 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.554 -3.287 -5.467 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.900 -3.137 -4.312 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.331 -3.779 -3.771 1.00 0.00 H new ATOM 1181 N LEU A 77 5.959 -0.346 -2.596 1.00 0.00 N ATOM 1182 CA LEU A 77 7.397 -0.357 -2.354 1.00 0.00 C ATOM 1183 C LEU A 77 7.686 -0.629 -0.894 1.00 0.00 C ATOM 1184 O LEU A 77 8.455 -1.534 -0.561 1.00 0.00 O ATOM 1185 CB LEU A 77 8.021 0.997 -2.763 1.00 0.00 C ATOM 1186 CG LEU A 77 9.524 1.040 -2.393 1.00 0.00 C ATOM 1187 CD1 LEU A 77 10.276 -0.122 -3.035 1.00 0.00 C ATOM 1188 CD2 LEU A 77 10.132 2.359 -2.876 1.00 0.00 C ATOM 0 H LEU A 77 5.589 0.536 -2.949 1.00 0.00 H new ATOM 0 HA LEU A 77 7.839 -1.151 -2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.901 1.149 -3.836 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.495 1.811 -2.264 1.00 0.00 H new ATOM 0 HG LEU A 77 9.613 0.960 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.330 -0.070 -2.760 1.00 0.00 H new ATOM 0 HD12 LEU A 77 9.856 -1.065 -2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.180 -0.063 -4.119 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.190 2.389 -2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.022 2.436 -3.958 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.617 3.193 -2.399 1.00 0.00 H new ATOM 1200 N VAL A 78 7.006 0.082 -0.021 1.00 0.00 N ATOM 1201 CA VAL A 78 7.178 -0.153 1.395 1.00 0.00 C ATOM 1202 C VAL A 78 6.613 -1.506 1.797 1.00 0.00 C ATOM 1203 O VAL A 78 7.257 -2.273 2.525 1.00 0.00 O ATOM 1204 CB VAL A 78 6.595 0.996 2.230 1.00 0.00 C ATOM 1205 CG1 VAL A 78 7.232 2.317 1.771 1.00 0.00 C ATOM 1206 CG2 VAL A 78 5.084 1.090 2.033 1.00 0.00 C ATOM 0 H VAL A 78 6.340 0.816 -0.261 1.00 0.00 H new ATOM 0 HA VAL A 78 8.247 -0.179 1.605 1.00 0.00 H new ATOM 0 HB VAL A 78 6.807 0.809 3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.825 3.140 2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.312 2.269 1.913 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.012 2.480 0.716 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.689 1.910 2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.865 1.272 0.981 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.618 0.155 2.345 1.00 0.00 H new ATOM 1216 N ALA A 79 5.442 -1.838 1.266 1.00 0.00 N ATOM 1217 CA ALA A 79 4.831 -3.121 1.558 1.00 0.00 C ATOM 1218 C ALA A 79 5.702 -4.246 1.060 1.00 0.00 C ATOM 1219 O ALA A 79 5.833 -5.271 1.720 1.00 0.00 O ATOM 1220 CB ALA A 79 3.452 -3.232 0.926 1.00 0.00 C ATOM 0 H ALA A 79 4.904 -1.241 0.638 1.00 0.00 H new ATOM 0 HA ALA A 79 4.726 -3.195 2.640 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.020 -4.204 1.163 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.808 -2.444 1.317 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.538 -3.127 -0.156 1.00 0.00 H new ATOM 1226 N ALA A 80 6.295 -4.050 -0.108 1.00 0.00 N ATOM 1227 CA ALA A 80 7.157 -5.060 -0.695 1.00 0.00 C ATOM 1228 C ALA A 80 8.262 -5.404 0.272 1.00 0.00 C ATOM 1229 O ALA A 80 8.463 -6.567 0.614 1.00 0.00 O ATOM 1230 CB ALA A 80 7.759 -4.545 -2.005 1.00 0.00 C ATOM 0 H ALA A 80 6.194 -3.202 -0.666 1.00 0.00 H new ATOM 0 HA ALA A 80 6.567 -5.952 -0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.403 -5.312 -2.435 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.958 -4.309 -2.706 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.345 -3.647 -1.808 1.00 0.00 H new ATOM 1236 N LEU A 81 8.922 -4.384 0.775 1.00 0.00 N ATOM 1237 CA LEU A 81 9.937 -4.578 1.789 1.00 0.00 C ATOM 1238 C LEU A 81 9.298 -5.131 3.050 1.00 0.00 C ATOM 1239 O LEU A 81 9.847 -6.019 3.708 1.00 0.00 O ATOM 1240 CB LEU A 81 10.646 -3.264 2.096 1.00 0.00 C ATOM 1241 CG LEU A 81 11.436 -2.808 0.863 1.00 0.00 C ATOM 1242 CD1 LEU A 81 12.052 -1.437 1.122 1.00 0.00 C ATOM 1243 CD2 LEU A 81 12.542 -3.815 0.538 1.00 0.00 C ATOM 0 H LEU A 81 8.775 -3.413 0.500 1.00 0.00 H new ATOM 0 HA LEU A 81 10.675 -5.288 1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.918 -2.503 2.376 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.318 -3.391 2.945 1.00 0.00 H new ATOM 0 HG LEU A 81 10.755 -2.745 0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.612 -1.118 0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.261 -0.716 1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.724 -1.496 1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.094 -3.478 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 81 13.222 -3.895 1.386 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.098 -4.790 0.335 1.00 0.00 H new ATOM 1255 N THR A 82 8.138 -4.583 3.397 1.00 0.00 N ATOM 1256 CA THR A 82 7.453 -5.000 4.602 1.00 0.00 C ATOM 1257 C THR A 82 7.066 -6.479 4.530 1.00 0.00 C ATOM 1258 O THR A 82 7.357 -7.240 5.449 1.00 0.00 O ATOM 1259 CB THR A 82 6.205 -4.131 4.848 1.00 0.00 C ATOM 1260 OG1 THR A 82 6.545 -2.755 4.734 1.00 0.00 O ATOM 1261 CG2 THR A 82 5.658 -4.386 6.254 1.00 0.00 C ATOM 0 H THR A 82 7.661 -3.857 2.863 1.00 0.00 H new ATOM 0 HA THR A 82 8.139 -4.867 5.439 1.00 0.00 H new ATOM 0 HB THR A 82 5.449 -4.390 4.106 1.00 0.00 H new ATOM 0 HG1 THR A 82 6.824 -2.562 3.815 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.776 -3.767 6.419 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.388 -5.437 6.354 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.420 -4.135 6.992 1.00 0.00 H new ATOM 1269 N VAL A 83 6.454 -6.898 3.420 1.00 0.00 N ATOM 1270 CA VAL A 83 6.058 -8.293 3.286 1.00 0.00 C ATOM 1271 C VAL A 83 7.284 -9.188 3.337 1.00 0.00 C ATOM 1272 O VAL A 83 7.324 -10.148 4.105 1.00 0.00 O ATOM 1273 CB VAL A 83 5.211 -8.537 1.997 1.00 0.00 C ATOM 1274 CG1 VAL A 83 6.022 -8.268 0.731 1.00 0.00 C ATOM 1275 CG2 VAL A 83 4.682 -9.974 1.956 1.00 0.00 C ATOM 0 H VAL A 83 6.228 -6.305 2.622 1.00 0.00 H new ATOM 0 HA VAL A 83 5.413 -8.548 4.127 1.00 0.00 H new ATOM 0 HB VAL A 83 4.374 -7.840 2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.399 -8.448 -0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.360 -7.232 0.729 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.886 -8.932 0.705 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.095 -10.120 1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.520 -10.671 1.962 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.054 -10.155 2.828 1.00 0.00 H new ATOM 1285 N ALA A 84 8.324 -8.806 2.599 1.00 0.00 N ATOM 1286 CA ALA A 84 9.568 -9.562 2.620 1.00 0.00 C ATOM 1287 C ALA A 84 10.160 -9.583 4.021 1.00 0.00 C ATOM 1288 O ALA A 84 10.521 -10.640 4.532 1.00 0.00 O ATOM 1289 CB ALA A 84 10.583 -8.970 1.634 1.00 0.00 C ATOM 0 H ALA A 84 8.329 -7.989 1.988 1.00 0.00 H new ATOM 0 HA ALA A 84 9.343 -10.585 2.317 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.504 -9.551 1.667 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.171 -9.001 0.625 1.00 0.00 H new ATOM 0 HB3 ALA A 84 10.796 -7.937 1.908 1.00 0.00 H new ATOM 1295 N MET A 85 10.285 -8.409 4.629 1.00 0.00 N ATOM 1296 CA MET A 85 10.871 -8.318 5.961 1.00 0.00 C ATOM 1297 C MET A 85 10.001 -9.007 6.987 1.00 0.00 C ATOM 1298 O MET A 85 10.481 -9.777 7.813 1.00 0.00 O ATOM 1299 CB MET A 85 11.032 -6.862 6.384 1.00 0.00 C ATOM 1300 CG MET A 85 12.011 -6.782 7.562 1.00 0.00 C ATOM 1301 SD MET A 85 11.089 -6.821 9.124 1.00 0.00 S ATOM 1302 CE MET A 85 11.882 -8.283 9.848 1.00 0.00 C ATOM 0 H MET A 85 9.993 -7.518 4.228 1.00 0.00 H new ATOM 0 HA MET A 85 11.845 -8.806 5.913 1.00 0.00 H new ATOM 0 HB2 MET A 85 11.401 -6.267 5.548 1.00 0.00 H new ATOM 0 HB3 MET A 85 10.066 -6.445 6.670 1.00 0.00 H new ATOM 0 HG2 MET A 85 12.713 -7.615 7.522 1.00 0.00 H new ATOM 0 HG3 MET A 85 12.599 -5.866 7.498 1.00 0.00 H new ATOM 0 HE1 MET A 85 11.136 -9.063 10.002 1.00 0.00 H new ATOM 0 HE2 MET A 85 12.656 -8.649 9.173 1.00 0.00 H new ATOM 0 HE3 MET A 85 12.331 -8.017 10.805 1.00 0.00 H new ATOM 1312 N ASN A 86 8.723 -8.684 6.968 1.00 0.00 N ATOM 1313 CA ASN A 86 7.804 -9.196 7.967 1.00 0.00 C ATOM 1314 C ASN A 86 7.721 -10.705 7.867 1.00 0.00 C ATOM 1315 O ASN A 86 7.597 -11.404 8.874 1.00 0.00 O ATOM 1316 CB ASN A 86 6.430 -8.541 7.836 1.00 0.00 C ATOM 1317 CG ASN A 86 5.767 -8.422 9.198 1.00 0.00 C ATOM 1318 OD1 ASN A 86 5.686 -9.392 9.942 1.00 0.00 O ATOM 1319 ND2 ASN A 86 5.290 -7.276 9.571 1.00 0.00 N ATOM 0 H ASN A 86 8.297 -8.070 6.273 1.00 0.00 H new ATOM 0 HA ASN A 86 8.182 -8.943 8.958 1.00 0.00 H new ATOM 0 HB2 ASN A 86 6.533 -7.553 7.387 1.00 0.00 H new ATOM 0 HB3 ASN A 86 5.801 -9.131 7.169 1.00 0.00 H new ATOM 0 HD21 ASN A 86 4.847 -7.181 10.485 1.00 0.00 H new ATOM 0 HD22 ASN A 86 5.358 -6.469 8.951 1.00 0.00 H new ATOM 1326 N ASN A 87 7.892 -11.206 6.648 1.00 0.00 N ATOM 1327 CA ASN A 87 7.912 -12.645 6.401 1.00 0.00 C ATOM 1328 C ASN A 87 8.800 -13.347 7.415 1.00 0.00 C ATOM 1329 O ASN A 87 8.481 -14.447 7.867 1.00 0.00 O ATOM 1330 CB ASN A 87 8.442 -12.931 4.989 1.00 0.00 C ATOM 1331 CG ASN A 87 7.881 -14.241 4.454 1.00 0.00 C ATOM 1332 OD1 ASN A 87 7.688 -14.379 3.244 1.00 0.00 O ATOM 1333 ND2 ASN A 87 7.604 -15.208 5.269 1.00 0.00 N ATOM 0 H ASN A 87 8.019 -10.635 5.812 1.00 0.00 H new ATOM 0 HA ASN A 87 6.893 -13.020 6.494 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.169 -12.114 4.321 1.00 0.00 H new ATOM 0 HB3 ASN A 87 9.531 -12.977 5.007 1.00 0.00 H new ATOM 0 HD21 ASN A 87 7.226 -16.085 4.910 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.764 -15.093 6.270 1.00 0.00 H new ATOM 1340 N PHE A 88 9.879 -12.685 7.813 1.00 0.00 N ATOM 1341 CA PHE A 88 10.804 -13.253 8.785 1.00 0.00 C ATOM 1342 C PHE A 88 10.067 -13.601 10.067 1.00 0.00 C ATOM 1343 O PHE A 88 10.238 -14.698 10.619 1.00 0.00 O ATOM 1344 CB PHE A 88 11.920 -12.246 9.105 1.00 0.00 C ATOM 1345 CG PHE A 88 12.946 -12.206 7.987 1.00 0.00 C ATOM 1346 CD1 PHE A 88 12.611 -11.668 6.738 1.00 0.00 C ATOM 1347 CD2 PHE A 88 14.234 -12.706 8.207 1.00 0.00 C ATOM 1348 CE1 PHE A 88 13.562 -11.631 5.714 1.00 0.00 C ATOM 1349 CE2 PHE A 88 15.185 -12.666 7.182 1.00 0.00 C ATOM 1350 CZ PHE A 88 14.850 -12.129 5.937 1.00 0.00 C ATOM 0 H PHE A 88 10.135 -11.756 7.478 1.00 0.00 H new ATOM 0 HA PHE A 88 11.240 -14.156 8.359 1.00 0.00 H new ATOM 0 HB2 PHE A 88 11.491 -11.254 9.247 1.00 0.00 H new ATOM 0 HB3 PHE A 88 12.406 -12.520 10.041 1.00 0.00 H new ATOM 0 HD1 PHE A 88 11.617 -11.281 6.566 1.00 0.00 H new ATOM 0 HD2 PHE A 88 14.494 -13.123 9.169 1.00 0.00 H new ATOM 0 HE1 PHE A 88 13.302 -11.218 4.751 1.00 0.00 H new ATOM 0 HE2 PHE A 88 16.179 -13.051 7.354 1.00 0.00 H new ATOM 0 HZ PHE A 88 15.585 -12.098 5.147 1.00 0.00 H new ATOM 1360 N PHE A 89 9.213 -12.690 10.514 1.00 0.00 N ATOM 1361 CA PHE A 89 8.424 -12.908 11.717 1.00 0.00 C ATOM 1362 C PHE A 89 7.455 -14.054 11.521 1.00 0.00 C ATOM 1363 O PHE A 89 7.260 -14.872 12.416 1.00 0.00 O ATOM 1364 CB PHE A 89 7.656 -11.639 12.098 1.00 0.00 C ATOM 1365 CG PHE A 89 8.628 -10.593 12.602 1.00 0.00 C ATOM 1366 CD1 PHE A 89 9.267 -10.767 13.835 1.00 0.00 C ATOM 1367 CD2 PHE A 89 8.886 -9.450 11.836 1.00 0.00 C ATOM 1368 CE1 PHE A 89 10.165 -9.800 14.300 1.00 0.00 C ATOM 1369 CE2 PHE A 89 9.782 -8.485 12.302 1.00 0.00 C ATOM 1370 CZ PHE A 89 10.423 -8.659 13.533 1.00 0.00 C ATOM 0 H PHE A 89 9.049 -11.791 10.060 1.00 0.00 H new ATOM 0 HA PHE A 89 9.109 -13.161 12.526 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.111 -11.258 11.235 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.917 -11.865 12.867 1.00 0.00 H new ATOM 0 HD1 PHE A 89 9.067 -11.648 14.427 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.392 -9.314 10.885 1.00 0.00 H new ATOM 0 HE1 PHE A 89 10.659 -9.935 15.251 1.00 0.00 H new ATOM 0 HE2 PHE A 89 9.980 -7.603 11.711 1.00 0.00 H new ATOM 0 HZ PHE A 89 11.117 -7.913 13.891 1.00 0.00 H new ATOM 1380 N TRP A 90 6.832 -14.100 10.353 1.00 0.00 N ATOM 1381 CA TRP A 90 5.854 -15.143 10.053 1.00 0.00 C ATOM 1382 C TRP A 90 6.535 -16.476 10.047 1.00 0.00 C ATOM 1383 O TRP A 90 6.000 -17.474 10.530 1.00 0.00 O ATOM 1384 CB TRP A 90 5.227 -14.914 8.669 1.00 0.00 C ATOM 1385 CG TRP A 90 4.880 -13.476 8.485 1.00 0.00 C ATOM 1386 CD1 TRP A 90 4.760 -12.577 9.477 1.00 0.00 C ATOM 1387 CD2 TRP A 90 4.607 -12.763 7.251 1.00 0.00 C ATOM 1388 NE1 TRP A 90 4.443 -11.362 8.934 1.00 0.00 N ATOM 1389 CE2 TRP A 90 4.332 -11.420 7.568 1.00 0.00 C ATOM 1390 CE3 TRP A 90 4.575 -13.146 5.903 1.00 0.00 C ATOM 1391 CZ2 TRP A 90 4.032 -10.489 6.588 1.00 0.00 C ATOM 1392 CZ3 TRP A 90 4.274 -12.208 4.903 1.00 0.00 C ATOM 1393 CH2 TRP A 90 4.002 -10.879 5.249 1.00 0.00 C ATOM 0 H TRP A 90 6.983 -13.431 9.598 1.00 0.00 H new ATOM 0 HA TRP A 90 5.074 -15.113 10.814 1.00 0.00 H new ATOM 0 HB2 TRP A 90 5.923 -15.229 7.891 1.00 0.00 H new ATOM 0 HB3 TRP A 90 4.332 -15.527 8.563 1.00 0.00 H new ATOM 0 HD1 TRP A 90 4.892 -12.780 10.529 1.00 0.00 H new ATOM 0 HE1 TRP A 90 4.305 -10.512 9.481 1.00 0.00 H new ATOM 0 HE3 TRP A 90 4.783 -14.170 5.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 3.822 -9.465 6.859 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 4.252 -12.512 3.867 1.00 0.00 H new ATOM 0 HH2 TRP A 90 3.769 -10.157 4.480 1.00 0.00 H new ATOM 1453 N SER B 2 9.734 3.419 12.067 1.00 0.00 N ATOM 1454 CA SER B 2 8.963 4.621 11.817 1.00 0.00 C ATOM 1455 C SER B 2 7.486 4.370 12.067 1.00 0.00 C ATOM 1456 O SER B 2 7.006 3.236 11.955 1.00 0.00 O ATOM 1457 CB SER B 2 9.167 5.071 10.372 1.00 0.00 C ATOM 1458 OG SER B 2 10.550 5.044 10.074 1.00 0.00 O ATOM 0 HA SER B 2 9.305 5.401 12.496 1.00 0.00 H new ATOM 0 HB2 SER B 2 8.622 4.415 9.693 1.00 0.00 H new ATOM 0 HB3 SER B 2 8.771 6.077 10.231 1.00 0.00 H new ATOM 0 HG SER B 2 10.736 4.311 9.451 1.00 0.00 H new ATOM 1464 N GLU B 3 6.747 5.441 12.275 1.00 0.00 N ATOM 1465 CA GLU B 3 5.310 5.330 12.429 1.00 0.00 C ATOM 1466 C GLU B 3 4.752 4.677 11.190 1.00 0.00 C ATOM 1467 O GLU B 3 3.838 3.865 11.251 1.00 0.00 O ATOM 1468 CB GLU B 3 4.692 6.719 12.571 1.00 0.00 C ATOM 1469 CG GLU B 3 5.107 7.342 13.902 1.00 0.00 C ATOM 1470 CD GLU B 3 4.497 8.714 14.017 1.00 0.00 C ATOM 1471 OE1 GLU B 3 3.291 8.795 14.125 1.00 0.00 O ATOM 1472 OE2 GLU B 3 5.237 9.670 13.994 1.00 0.00 O ATOM 0 H GLU B 3 7.113 6.391 12.341 1.00 0.00 H new ATOM 0 HA GLU B 3 5.080 4.742 13.317 1.00 0.00 H new ATOM 0 HB2 GLU B 3 5.014 7.355 11.746 1.00 0.00 H new ATOM 0 HB3 GLU B 3 3.606 6.650 12.515 1.00 0.00 H new ATOM 0 HG2 GLU B 3 4.778 6.714 14.730 1.00 0.00 H new ATOM 0 HG3 GLU B 3 6.193 7.407 13.964 1.00 0.00 H new ATOM 1479 N LEU B 4 5.365 4.986 10.076 1.00 0.00 N ATOM 1480 CA LEU B 4 4.983 4.414 8.811 1.00 0.00 C ATOM 1481 C LEU B 4 5.186 2.913 8.869 1.00 0.00 C ATOM 1482 O LEU B 4 4.316 2.141 8.477 1.00 0.00 O ATOM 1483 CB LEU B 4 5.834 5.008 7.676 1.00 0.00 C ATOM 1484 CG LEU B 4 5.478 6.498 7.421 1.00 0.00 C ATOM 1485 CD1 LEU B 4 4.145 6.609 6.691 1.00 0.00 C ATOM 1486 CD2 LEU B 4 5.419 7.312 8.726 1.00 0.00 C ATOM 0 H LEU B 4 6.144 5.642 10.021 1.00 0.00 H new ATOM 0 HA LEU B 4 3.935 4.641 8.614 1.00 0.00 H new ATOM 0 HB2 LEU B 4 6.891 4.923 7.929 1.00 0.00 H new ATOM 0 HB3 LEU B 4 5.678 4.434 6.763 1.00 0.00 H new ATOM 0 HG LEU B 4 6.273 6.914 6.802 1.00 0.00 H new ATOM 0 HD11 LEU B 4 3.910 7.660 6.520 1.00 0.00 H new ATOM 0 HD12 LEU B 4 4.210 6.091 5.734 1.00 0.00 H new ATOM 0 HD13 LEU B 4 3.360 6.156 7.296 1.00 0.00 H new ATOM 0 HD21 LEU B 4 5.167 8.348 8.498 1.00 0.00 H new ATOM 0 HD22 LEU B 4 4.659 6.890 9.384 1.00 0.00 H new ATOM 0 HD23 LEU B 4 6.389 7.276 9.222 1.00 0.00 H new ATOM 1498 N GLU B 5 6.301 2.500 9.452 1.00 0.00 N ATOM 1499 CA GLU B 5 6.579 1.088 9.618 1.00 0.00 C ATOM 1500 C GLU B 5 5.545 0.489 10.549 1.00 0.00 C ATOM 1501 O GLU B 5 4.945 -0.546 10.250 1.00 0.00 O ATOM 1502 CB GLU B 5 7.990 0.887 10.185 1.00 0.00 C ATOM 1503 CG GLU B 5 9.011 1.407 9.169 1.00 0.00 C ATOM 1504 CD GLU B 5 10.424 1.183 9.666 1.00 0.00 C ATOM 1505 OE1 GLU B 5 10.944 2.045 10.339 1.00 0.00 O ATOM 1506 OE2 GLU B 5 10.972 0.150 9.360 1.00 0.00 O ATOM 0 H GLU B 5 7.023 3.122 9.816 1.00 0.00 H new ATOM 0 HA GLU B 5 6.528 0.589 8.650 1.00 0.00 H new ATOM 0 HB2 GLU B 5 8.095 1.418 11.131 1.00 0.00 H new ATOM 0 HB3 GLU B 5 8.167 -0.169 10.391 1.00 0.00 H new ATOM 0 HG2 GLU B 5 8.872 0.900 8.214 1.00 0.00 H new ATOM 0 HG3 GLU B 5 8.847 2.470 8.993 1.00 0.00 H new ATOM 1513 N THR B 6 5.217 1.236 11.585 1.00 0.00 N ATOM 1514 CA THR B 6 4.140 0.856 12.471 1.00 0.00 C ATOM 1515 C THR B 6 2.836 0.794 11.669 1.00 0.00 C ATOM 1516 O THR B 6 2.090 -0.194 11.735 1.00 0.00 O ATOM 1517 CB THR B 6 4.026 1.884 13.609 1.00 0.00 C ATOM 1518 OG1 THR B 6 5.326 2.110 14.163 1.00 0.00 O ATOM 1519 CG2 THR B 6 3.098 1.345 14.701 1.00 0.00 C ATOM 0 H THR B 6 5.682 2.109 11.832 1.00 0.00 H new ATOM 0 HA THR B 6 4.338 -0.123 12.907 1.00 0.00 H new ATOM 0 HB THR B 6 3.619 2.817 13.219 1.00 0.00 H new ATOM 0 HG1 THR B 6 5.263 2.766 14.889 1.00 0.00 H new ATOM 0 HG21 THR B 6 3.020 2.076 15.506 1.00 0.00 H new ATOM 0 HG22 THR B 6 2.109 1.161 14.280 1.00 0.00 H new ATOM 0 HG23 THR B 6 3.503 0.413 15.096 1.00 0.00 H new ATOM 1527 N ALA B 7 2.616 1.803 10.837 1.00 0.00 N ATOM 1528 CA ALA B 7 1.461 1.834 9.957 1.00 0.00 C ATOM 1529 C ALA B 7 1.464 0.609 9.049 1.00 0.00 C ATOM 1530 O ALA B 7 0.464 -0.111 8.956 1.00 0.00 O ATOM 1531 CB ALA B 7 1.464 3.111 9.112 1.00 0.00 C ATOM 0 H ALA B 7 3.228 2.615 10.755 1.00 0.00 H new ATOM 0 HA ALA B 7 0.559 1.824 10.568 1.00 0.00 H new ATOM 0 HB1 ALA B 7 0.591 3.117 8.459 1.00 0.00 H new ATOM 0 HB2 ALA B 7 1.432 3.981 9.768 1.00 0.00 H new ATOM 0 HB3 ALA B 7 2.370 3.145 8.507 1.00 0.00 H new ATOM 1537 N MET B 8 2.617 0.330 8.444 1.00 0.00 N ATOM 1538 CA MET B 8 2.745 -0.850 7.594 1.00 0.00 C ATOM 1539 C MET B 8 2.544 -2.115 8.398 1.00 0.00 C ATOM 1540 O MET B 8 1.808 -3.014 7.983 1.00 0.00 O ATOM 1541 CB MET B 8 4.110 -0.891 6.895 1.00 0.00 C ATOM 1542 CG MET B 8 4.260 0.305 5.951 1.00 0.00 C ATOM 1543 SD MET B 8 2.876 0.332 4.783 1.00 0.00 S ATOM 1544 CE MET B 8 3.199 -1.254 3.986 1.00 0.00 C ATOM 0 H MET B 8 3.463 0.895 8.525 1.00 0.00 H new ATOM 0 HA MET B 8 1.969 -0.786 6.831 1.00 0.00 H new ATOM 0 HB2 MET B 8 4.907 -0.878 7.638 1.00 0.00 H new ATOM 0 HB3 MET B 8 4.211 -1.820 6.334 1.00 0.00 H new ATOM 0 HG2 MET B 8 4.285 1.232 6.523 1.00 0.00 H new ATOM 0 HG3 MET B 8 5.204 0.239 5.411 1.00 0.00 H new ATOM 0 HE1 MET B 8 2.714 -1.276 3.010 1.00 0.00 H new ATOM 0 HE2 MET B 8 4.274 -1.386 3.860 1.00 0.00 H new ATOM 0 HE3 MET B 8 2.805 -2.059 4.605 1.00 0.00 H new ATOM 1554 N GLU B 9 3.101 -2.156 9.593 1.00 0.00 N ATOM 1555 CA GLU B 9 2.890 -3.291 10.464 1.00 0.00 C ATOM 1556 C GLU B 9 1.417 -3.401 10.801 1.00 0.00 C ATOM 1557 O GLU B 9 0.836 -4.487 10.774 1.00 0.00 O ATOM 1558 CB GLU B 9 3.732 -3.182 11.738 1.00 0.00 C ATOM 1559 CG GLU B 9 4.777 -4.310 11.767 1.00 0.00 C ATOM 1560 CD GLU B 9 4.176 -5.568 12.369 1.00 0.00 C ATOM 1561 OE1 GLU B 9 3.528 -5.463 13.385 1.00 0.00 O ATOM 1562 OE2 GLU B 9 4.369 -6.614 11.809 1.00 0.00 O ATOM 0 H GLU B 9 3.697 -1.423 9.978 1.00 0.00 H new ATOM 0 HA GLU B 9 3.208 -4.194 9.943 1.00 0.00 H new ATOM 0 HB2 GLU B 9 4.228 -2.212 11.775 1.00 0.00 H new ATOM 0 HB3 GLU B 9 3.090 -3.245 12.616 1.00 0.00 H new ATOM 0 HG2 GLU B 9 5.130 -4.515 10.756 1.00 0.00 H new ATOM 0 HG3 GLU B 9 5.644 -3.998 12.350 1.00 0.00 H new ATOM 1569 N THR B 10 0.786 -2.263 11.005 1.00 0.00 N ATOM 1570 CA THR B 10 -0.638 -2.246 11.242 1.00 0.00 C ATOM 1571 C THR B 10 -1.346 -2.845 10.030 1.00 0.00 C ATOM 1572 O THR B 10 -2.196 -3.730 10.169 1.00 0.00 O ATOM 1573 CB THR B 10 -1.119 -0.814 11.529 1.00 0.00 C ATOM 1574 OG1 THR B 10 -0.235 -0.213 12.474 1.00 0.00 O ATOM 1575 CG2 THR B 10 -2.531 -0.853 12.129 1.00 0.00 C ATOM 0 H THR B 10 1.234 -1.347 11.011 1.00 0.00 H new ATOM 0 HA THR B 10 -0.877 -2.846 12.120 1.00 0.00 H new ATOM 0 HB THR B 10 -1.132 -0.241 10.602 1.00 0.00 H new ATOM 0 HG1 THR B 10 0.543 0.156 12.006 1.00 0.00 H new ATOM 0 HG21 THR B 10 -2.869 0.163 12.331 1.00 0.00 H new ATOM 0 HG22 THR B 10 -3.213 -1.328 11.424 1.00 0.00 H new ATOM 0 HG23 THR B 10 -2.516 -1.422 13.059 1.00 0.00 H new ATOM 1583 N LEU B 11 -0.895 -2.464 8.840 1.00 0.00 N ATOM 1584 CA LEU B 11 -1.427 -3.058 7.618 1.00 0.00 C ATOM 1585 C LEU B 11 -1.137 -4.563 7.608 1.00 0.00 C ATOM 1586 O LEU B 11 -2.011 -5.368 7.267 1.00 0.00 O ATOM 1587 CB LEU B 11 -0.773 -2.408 6.375 1.00 0.00 C ATOM 1588 CG LEU B 11 -1.251 -0.958 6.188 1.00 0.00 C ATOM 1589 CD1 LEU B 11 -0.342 -0.249 5.180 1.00 0.00 C ATOM 1590 CD2 LEU B 11 -2.682 -0.948 5.637 1.00 0.00 C ATOM 0 H LEU B 11 -0.174 -1.758 8.695 1.00 0.00 H new ATOM 0 HA LEU B 11 -2.503 -2.887 7.587 1.00 0.00 H new ATOM 0 HB2 LEU B 11 0.312 -2.425 6.481 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -1.016 -2.991 5.487 1.00 0.00 H new ATOM 0 HG LEU B 11 -1.220 -0.449 7.151 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -0.679 0.779 5.046 1.00 0.00 H new ATOM 0 HD12 LEU B 11 0.683 -0.249 5.551 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -0.382 -0.771 4.224 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -3.015 0.082 5.507 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.705 -1.461 4.676 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -3.345 -1.458 6.336 1.00 0.00 H new ATOM 1602 N ILE B 12 0.080 -4.941 8.003 1.00 0.00 N ATOM 1603 CA ILE B 12 0.469 -6.355 8.023 1.00 0.00 C ATOM 1604 C ILE B 12 -0.393 -7.116 9.021 1.00 0.00 C ATOM 1605 O ILE B 12 -0.901 -8.205 8.726 1.00 0.00 O ATOM 1606 CB ILE B 12 1.952 -6.489 8.442 1.00 0.00 C ATOM 1607 CG1 ILE B 12 2.888 -5.896 7.372 1.00 0.00 C ATOM 1608 CG2 ILE B 12 2.303 -7.969 8.658 1.00 0.00 C ATOM 1609 CD1 ILE B 12 2.924 -6.785 6.124 1.00 0.00 C ATOM 0 H ILE B 12 0.808 -4.296 8.311 1.00 0.00 H new ATOM 0 HA ILE B 12 0.330 -6.768 7.024 1.00 0.00 H new ATOM 0 HB ILE B 12 2.090 -5.935 9.371 1.00 0.00 H new ATOM 0 HG12 ILE B 12 2.550 -4.896 7.101 1.00 0.00 H new ATOM 0 HG13 ILE B 12 3.894 -5.793 7.779 1.00 0.00 H new ATOM 0 HG21 ILE B 12 3.349 -8.056 8.953 1.00 0.00 H new ATOM 0 HG22 ILE B 12 1.669 -8.382 9.443 1.00 0.00 H new ATOM 0 HG23 ILE B 12 2.140 -8.520 7.732 1.00 0.00 H new ATOM 0 HD11 ILE B 12 3.592 -6.345 5.383 1.00 0.00 H new ATOM 0 HD12 ILE B 12 3.285 -7.777 6.394 1.00 0.00 H new ATOM 0 HD13 ILE B 12 1.921 -6.866 5.706 1.00 0.00 H new ATOM 1621 N ASN B 13 -0.569 -6.534 10.194 1.00 0.00 N ATOM 1622 CA ASN B 13 -1.343 -7.173 11.244 1.00 0.00 C ATOM 1623 C ASN B 13 -2.766 -7.367 10.785 1.00 0.00 C ATOM 1624 O ASN B 13 -3.335 -8.447 10.942 1.00 0.00 O ATOM 1625 CB ASN B 13 -1.321 -6.311 12.507 1.00 0.00 C ATOM 1626 CG ASN B 13 0.025 -6.445 13.207 1.00 0.00 C ATOM 1627 OD1 ASN B 13 0.257 -7.408 13.944 1.00 0.00 O ATOM 1628 ND2 ASN B 13 0.938 -5.553 13.004 1.00 0.00 N ATOM 0 H ASN B 13 -0.187 -5.622 10.443 1.00 0.00 H new ATOM 0 HA ASN B 13 -0.903 -8.145 11.468 1.00 0.00 H new ATOM 0 HB2 ASN B 13 -1.503 -5.268 12.248 1.00 0.00 H new ATOM 0 HB3 ASN B 13 -2.122 -6.617 13.180 1.00 0.00 H new ATOM 0 HD21 ASN B 13 1.849 -5.645 13.453 1.00 0.00 H new ATOM 0 HD22 ASN B 13 0.747 -4.757 12.395 1.00 0.00 H new ATOM 1635 N VAL B 14 -3.310 -6.341 10.145 1.00 0.00 N ATOM 1636 CA VAL B 14 -4.644 -6.413 9.578 1.00 0.00 C ATOM 1637 C VAL B 14 -4.682 -7.434 8.449 1.00 0.00 C ATOM 1638 O VAL B 14 -5.585 -8.272 8.376 1.00 0.00 O ATOM 1639 CB VAL B 14 -5.052 -5.027 9.065 1.00 0.00 C ATOM 1640 CG1 VAL B 14 -6.409 -5.094 8.354 1.00 0.00 C ATOM 1641 CG2 VAL B 14 -5.137 -4.062 10.252 1.00 0.00 C ATOM 0 H VAL B 14 -2.842 -5.445 10.007 1.00 0.00 H new ATOM 0 HA VAL B 14 -5.349 -6.731 10.347 1.00 0.00 H new ATOM 0 HB VAL B 14 -4.307 -4.676 8.351 1.00 0.00 H new ATOM 0 HG11 VAL B 14 -6.682 -4.101 7.997 1.00 0.00 H new ATOM 0 HG12 VAL B 14 -6.343 -5.778 7.508 1.00 0.00 H new ATOM 0 HG13 VAL B 14 -7.168 -5.450 9.051 1.00 0.00 H new ATOM 0 HG21 VAL B 14 -5.427 -3.073 9.897 1.00 0.00 H new ATOM 0 HG22 VAL B 14 -5.880 -4.424 10.963 1.00 0.00 H new ATOM 0 HG23 VAL B 14 -4.165 -4.001 10.742 1.00 0.00 H new ATOM 1651 N PHE B 15 -3.695 -7.360 7.577 1.00 0.00 N ATOM 1652 CA PHE B 15 -3.630 -8.249 6.436 1.00 0.00 C ATOM 1653 C PHE B 15 -3.589 -9.688 6.907 1.00 0.00 C ATOM 1654 O PHE B 15 -4.401 -10.514 6.492 1.00 0.00 O ATOM 1655 CB PHE B 15 -2.371 -7.928 5.625 1.00 0.00 C ATOM 1656 CG PHE B 15 -2.253 -8.849 4.431 1.00 0.00 C ATOM 1657 CD1 PHE B 15 -3.005 -8.600 3.280 1.00 0.00 C ATOM 1658 CD2 PHE B 15 -1.378 -9.941 4.471 1.00 0.00 C ATOM 1659 CE1 PHE B 15 -2.882 -9.439 2.172 1.00 0.00 C ATOM 1660 CE2 PHE B 15 -1.259 -10.783 3.362 1.00 0.00 C ATOM 1661 CZ PHE B 15 -2.011 -10.531 2.211 1.00 0.00 C ATOM 0 H PHE B 15 -2.927 -6.692 7.638 1.00 0.00 H new ATOM 0 HA PHE B 15 -4.512 -8.110 5.811 1.00 0.00 H new ATOM 0 HB2 PHE B 15 -2.404 -6.892 5.289 1.00 0.00 H new ATOM 0 HB3 PHE B 15 -1.489 -8.030 6.258 1.00 0.00 H new ATOM 0 HD1 PHE B 15 -3.681 -7.758 3.248 1.00 0.00 H new ATOM 0 HD2 PHE B 15 -0.795 -10.133 5.359 1.00 0.00 H new ATOM 0 HE1 PHE B 15 -3.462 -9.244 1.282 1.00 0.00 H new ATOM 0 HE2 PHE B 15 -0.587 -11.628 3.394 1.00 0.00 H new ATOM 0 HZ PHE B 15 -1.919 -11.180 1.353 1.00 0.00 H new ATOM 1671 N HIS B 16 -2.708 -9.964 7.851 1.00 0.00 N ATOM 1672 CA HIS B 16 -2.610 -11.302 8.401 1.00 0.00 C ATOM 1673 C HIS B 16 -3.779 -11.674 9.275 1.00 0.00 C ATOM 1674 O HIS B 16 -4.217 -12.836 9.273 1.00 0.00 O ATOM 1675 CB HIS B 16 -1.267 -11.586 9.048 1.00 0.00 C ATOM 1676 CG HIS B 16 -0.254 -11.790 7.950 1.00 0.00 C ATOM 1677 ND1 HIS B 16 -0.608 -12.290 6.690 1.00 0.00 N ATOM 1678 CD2 HIS B 16 1.098 -11.595 7.910 1.00 0.00 C ATOM 1679 CE1 HIS B 16 0.522 -12.375 5.967 1.00 0.00 C ATOM 1680 NE2 HIS B 16 1.587 -11.968 6.661 1.00 0.00 N ATOM 0 H HIS B 16 -2.057 -9.287 8.249 1.00 0.00 H new ATOM 0 HA HIS B 16 -2.667 -11.971 7.542 1.00 0.00 H new ATOM 0 HB2 HIS B 16 -0.971 -10.757 9.690 1.00 0.00 H new ATOM 0 HB3 HIS B 16 -1.328 -12.472 9.679 1.00 0.00 H new ATOM 0 HD2 HIS B 16 1.696 -11.210 8.723 1.00 0.00 H new ATOM 0 HE1 HIS B 16 0.563 -12.730 4.948 1.00 0.00 H new ATOM 0 HE2 HIS B 16 2.556 -11.937 6.343 1.00 0.00 H new ATOM 1689 N ALA B 17 -4.367 -10.689 9.938 1.00 0.00 N ATOM 1690 CA ALA B 17 -5.584 -10.950 10.686 1.00 0.00 C ATOM 1691 C ALA B 17 -6.597 -11.543 9.729 1.00 0.00 C ATOM 1692 O ALA B 17 -7.261 -12.536 10.041 1.00 0.00 O ATOM 1693 CB ALA B 17 -6.142 -9.658 11.291 1.00 0.00 C ATOM 0 H ALA B 17 -4.031 -9.727 9.973 1.00 0.00 H new ATOM 0 HA ALA B 17 -5.372 -11.638 11.505 1.00 0.00 H new ATOM 0 HB1 ALA B 17 -7.053 -9.880 11.846 1.00 0.00 H new ATOM 0 HB2 ALA B 17 -5.404 -9.223 11.965 1.00 0.00 H new ATOM 0 HB3 ALA B 17 -6.367 -8.950 10.493 1.00 0.00 H new ATOM 1699 N HIS B 18 -6.639 -10.988 8.523 1.00 0.00 N ATOM 1700 CA HIS B 18 -7.477 -11.533 7.473 1.00 0.00 C ATOM 1701 C HIS B 18 -6.899 -12.822 6.884 1.00 0.00 C ATOM 1702 O HIS B 18 -7.640 -13.770 6.634 1.00 0.00 O ATOM 1703 CB HIS B 18 -7.778 -10.500 6.386 1.00 0.00 C ATOM 1704 CG HIS B 18 -8.777 -9.502 6.925 1.00 0.00 C ATOM 1705 ND1 HIS B 18 -10.148 -9.765 6.961 1.00 0.00 N ATOM 1706 CD2 HIS B 18 -8.619 -8.247 7.472 1.00 0.00 C ATOM 1707 CE1 HIS B 18 -10.747 -8.687 7.516 1.00 0.00 C ATOM 1708 NE2 HIS B 18 -9.857 -7.734 7.845 1.00 0.00 N ATOM 0 H HIS B 18 -6.103 -10.164 8.253 1.00 0.00 H new ATOM 0 HA HIS B 18 -8.427 -11.795 7.938 1.00 0.00 H new ATOM 0 HB2 HIS B 18 -6.862 -9.992 6.084 1.00 0.00 H new ATOM 0 HB3 HIS B 18 -8.177 -10.991 5.499 1.00 0.00 H new ATOM 0 HD1 HIS B 18 -10.611 -10.612 6.631 1.00 0.00 H new ATOM 0 HD2 HIS B 18 -7.674 -7.738 7.593 1.00 0.00 H new ATOM 0 HE1 HIS B 18 -11.812 -8.602 7.676 1.00 0.00 H new ATOM 1717 N SER B 19 -5.565 -12.885 6.728 1.00 0.00 N ATOM 1718 CA SER B 19 -4.925 -14.104 6.199 1.00 0.00 C ATOM 1719 C SER B 19 -5.416 -15.315 6.970 1.00 0.00 C ATOM 1720 O SER B 19 -5.593 -16.394 6.410 1.00 0.00 O ATOM 1721 CB SER B 19 -3.386 -14.038 6.316 1.00 0.00 C ATOM 1722 OG SER B 19 -2.882 -12.873 5.652 1.00 0.00 O ATOM 0 H SER B 19 -4.922 -12.127 6.954 1.00 0.00 H new ATOM 0 HA SER B 19 -5.192 -14.183 5.145 1.00 0.00 H new ATOM 0 HB2 SER B 19 -3.096 -14.019 7.366 1.00 0.00 H new ATOM 0 HB3 SER B 19 -2.943 -14.933 5.879 1.00 0.00 H new ATOM 0 HG SER B 19 -1.920 -12.792 5.820 1.00 0.00 H new ATOM 1728 N GLY B 20 -5.635 -15.126 8.261 1.00 0.00 N ATOM 1729 CA GLY B 20 -6.069 -16.208 9.126 1.00 0.00 C ATOM 1730 C GLY B 20 -7.359 -16.845 8.623 1.00 0.00 C ATOM 1731 O GLY B 20 -7.541 -18.065 8.723 1.00 0.00 O ATOM 0 H GLY B 20 -5.518 -14.229 8.733 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -5.287 -16.965 9.183 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -6.220 -15.829 10.137 1.00 0.00 H new ATOM 1735 N LYS B 21 -8.252 -16.036 8.070 1.00 0.00 N ATOM 1736 CA LYS B 21 -9.508 -16.560 7.554 1.00 0.00 C ATOM 1737 C LYS B 21 -9.275 -17.518 6.400 1.00 0.00 C ATOM 1738 O LYS B 21 -9.943 -18.543 6.305 1.00 0.00 O ATOM 1739 CB LYS B 21 -10.419 -15.430 7.081 1.00 0.00 C ATOM 1740 CG LYS B 21 -11.018 -14.688 8.272 1.00 0.00 C ATOM 1741 CD LYS B 21 -10.052 -13.611 8.746 1.00 0.00 C ATOM 1742 CE LYS B 21 -10.778 -12.674 9.702 1.00 0.00 C ATOM 1743 NZ LYS B 21 -11.472 -11.623 8.923 1.00 0.00 N ATOM 0 H LYS B 21 -8.133 -15.028 7.968 1.00 0.00 H new ATOM 0 HA LYS B 21 -9.988 -17.096 8.372 1.00 0.00 H new ATOM 0 HB2 LYS B 21 -9.853 -14.735 6.460 1.00 0.00 H new ATOM 0 HB3 LYS B 21 -11.217 -15.835 6.459 1.00 0.00 H new ATOM 0 HG2 LYS B 21 -11.970 -14.238 7.991 1.00 0.00 H new ATOM 0 HG3 LYS B 21 -11.224 -15.388 9.082 1.00 0.00 H new ATOM 0 HD2 LYS B 21 -9.196 -14.067 9.244 1.00 0.00 H new ATOM 0 HD3 LYS B 21 -9.665 -13.052 7.894 1.00 0.00 H new ATOM 0 HE2 LYS B 21 -11.497 -13.233 10.302 1.00 0.00 H new ATOM 0 HE3 LYS B 21 -10.069 -12.221 10.395 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 -12.077 -11.063 9.557 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 -10.769 -11.000 8.477 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 -12.058 -12.066 8.187 1.00 0.00 H new ATOM 1757 N GLU B 22 -8.396 -17.147 5.476 1.00 0.00 N ATOM 1758 CA GLU B 22 -8.197 -17.963 4.284 1.00 0.00 C ATOM 1759 C GLU B 22 -6.783 -17.865 3.730 1.00 0.00 C ATOM 1760 O GLU B 22 -6.257 -18.843 3.188 1.00 0.00 O ATOM 1761 CB GLU B 22 -9.212 -17.585 3.176 1.00 0.00 C ATOM 1762 CG GLU B 22 -9.868 -16.204 3.442 1.00 0.00 C ATOM 1763 CD GLU B 22 -9.167 -15.104 2.649 1.00 0.00 C ATOM 1764 OE1 GLU B 22 -7.955 -15.082 2.643 1.00 0.00 O ATOM 1765 OE2 GLU B 22 -9.850 -14.321 2.030 1.00 0.00 O ATOM 0 H GLU B 22 -7.821 -16.306 5.526 1.00 0.00 H new ATOM 0 HA GLU B 22 -8.361 -18.995 4.595 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -8.706 -17.567 2.211 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -9.986 -18.350 3.116 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -10.922 -16.239 3.168 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -9.823 -15.975 4.507 1.00 0.00 H new ATOM 1772 N GLY B 23 -6.289 -16.650 3.647 1.00 0.00 N ATOM 1773 CA GLY B 23 -5.048 -16.334 2.937 1.00 0.00 C ATOM 1774 C GLY B 23 -3.832 -17.101 3.450 1.00 0.00 C ATOM 1775 O GLY B 23 -2.819 -16.489 3.802 1.00 0.00 O ATOM 0 H GLY B 23 -6.735 -15.837 4.072 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -5.182 -16.550 1.877 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -4.854 -15.265 3.022 1.00 0.00 H new ATOM 1779 N ASP B 24 -3.898 -18.435 3.383 1.00 0.00 N ATOM 1780 CA ASP B 24 -2.777 -19.311 3.763 1.00 0.00 C ATOM 1781 C ASP B 24 -2.077 -18.772 5.010 1.00 0.00 C ATOM 1782 O ASP B 24 -2.688 -18.025 5.786 1.00 0.00 O ATOM 1783 CB ASP B 24 -1.786 -19.430 2.593 1.00 0.00 C ATOM 1784 CG ASP B 24 -0.953 -20.677 2.738 1.00 0.00 C ATOM 1785 OD1 ASP B 24 -1.465 -21.743 2.469 1.00 0.00 O ATOM 1786 OD2 ASP B 24 0.190 -20.556 3.099 1.00 0.00 O ATOM 0 H ASP B 24 -4.726 -18.940 3.065 1.00 0.00 H new ATOM 0 HA ASP B 24 -3.166 -20.303 3.994 1.00 0.00 H new ATOM 0 HB2 ASP B 24 -2.329 -19.455 1.648 1.00 0.00 H new ATOM 0 HB3 ASP B 24 -1.139 -18.553 2.565 1.00 0.00 H new ATOM 1791 N LYS B 25 -0.808 -19.126 5.227 1.00 0.00 N ATOM 1792 CA LYS B 25 -0.118 -18.565 6.387 1.00 0.00 C ATOM 1793 C LYS B 25 0.085 -17.087 6.167 1.00 0.00 C ATOM 1794 O LYS B 25 -0.293 -16.266 7.008 1.00 0.00 O ATOM 1795 CB LYS B 25 1.240 -19.215 6.674 1.00 0.00 C ATOM 1796 CG LYS B 25 1.751 -20.000 5.474 1.00 0.00 C ATOM 1797 CD LYS B 25 3.135 -20.546 5.815 1.00 0.00 C ATOM 1798 CE LYS B 25 3.752 -21.237 4.599 1.00 0.00 C ATOM 1799 NZ LYS B 25 5.164 -21.550 4.905 1.00 0.00 N ATOM 0 H LYS B 25 -0.262 -19.764 4.648 1.00 0.00 H new ATOM 0 HA LYS B 25 -0.750 -18.763 7.253 1.00 0.00 H new ATOM 0 HB2 LYS B 25 1.964 -18.445 6.940 1.00 0.00 H new ATOM 0 HB3 LYS B 25 1.151 -19.880 7.533 1.00 0.00 H new ATOM 0 HG2 LYS B 25 1.069 -20.816 5.235 1.00 0.00 H new ATOM 0 HG3 LYS B 25 1.802 -19.359 4.594 1.00 0.00 H new ATOM 0 HD2 LYS B 25 3.782 -19.733 6.146 1.00 0.00 H new ATOM 0 HD3 LYS B 25 3.060 -21.251 6.643 1.00 0.00 H new ATOM 0 HE2 LYS B 25 3.204 -22.149 4.363 1.00 0.00 H new ATOM 0 HE3 LYS B 25 3.688 -20.591 3.723 1.00 0.00 H new ATOM 0 HZ1 LYS B 25 5.557 -22.153 4.154 1.00 0.00 H new ATOM 0 HZ2 LYS B 25 5.711 -20.667 4.962 1.00 0.00 H new ATOM 0 HZ3 LYS B 25 5.219 -22.050 5.815 1.00 0.00 H new ATOM 1813 N TYR B 26 0.582 -16.741 4.982 1.00 0.00 N ATOM 1814 CA TYR B 26 0.707 -15.349 4.613 1.00 0.00 C ATOM 1815 C TYR B 26 0.211 -15.097 3.197 1.00 0.00 C ATOM 1816 O TYR B 26 1.009 -15.053 2.249 1.00 0.00 O ATOM 1817 CB TYR B 26 2.163 -14.857 4.749 1.00 0.00 C ATOM 1818 CG TYR B 26 3.139 -16.016 4.773 1.00 0.00 C ATOM 1819 CD1 TYR B 26 3.479 -16.683 3.590 1.00 0.00 C ATOM 1820 CD2 TYR B 26 3.714 -16.400 5.979 1.00 0.00 C ATOM 1821 CE1 TYR B 26 4.393 -17.741 3.620 1.00 0.00 C ATOM 1822 CE2 TYR B 26 4.637 -17.460 6.016 1.00 0.00 C ATOM 1823 CZ TYR B 26 4.974 -18.132 4.830 1.00 0.00 C ATOM 1824 OH TYR B 26 5.879 -19.184 4.856 1.00 0.00 O ATOM 0 H TYR B 26 0.899 -17.403 4.274 1.00 0.00 H new ATOM 0 HA TYR B 26 0.081 -14.785 5.305 1.00 0.00 H new ATOM 0 HB2 TYR B 26 2.404 -14.194 3.918 1.00 0.00 H new ATOM 0 HB3 TYR B 26 2.267 -14.273 5.663 1.00 0.00 H new ATOM 0 HD1 TYR B 26 3.035 -16.380 2.653 1.00 0.00 H new ATOM 0 HD2 TYR B 26 3.451 -15.883 6.890 1.00 0.00 H new ATOM 0 HE1 TYR B 26 4.650 -18.257 2.707 1.00 0.00 H new ATOM 0 HE2 TYR B 26 5.085 -17.756 6.953 1.00 0.00 H new ATOM 0 HH TYR B 26 6.364 -19.178 5.708 1.00 0.00 H new ATOM 1834 N LYS B 27 -1.058 -14.743 3.102 1.00 0.00 N ATOM 1835 CA LYS B 27 -1.707 -14.283 1.880 1.00 0.00 C ATOM 1836 C LYS B 27 -3.023 -13.652 2.256 1.00 0.00 C ATOM 1837 O LYS B 27 -3.403 -13.644 3.430 1.00 0.00 O ATOM 1838 CB LYS B 27 -2.002 -15.426 0.880 1.00 0.00 C ATOM 1839 CG LYS B 27 -0.731 -15.998 0.256 1.00 0.00 C ATOM 1840 CD LYS B 27 -0.042 -14.907 -0.593 1.00 0.00 C ATOM 1841 CE LYS B 27 0.124 -15.383 -2.047 1.00 0.00 C ATOM 1842 NZ LYS B 27 0.351 -16.851 -2.088 1.00 0.00 N ATOM 0 H LYS B 27 -1.691 -14.768 3.901 1.00 0.00 H new ATOM 0 HA LYS B 27 -1.026 -13.584 1.395 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -2.542 -16.222 1.392 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -2.655 -15.054 0.091 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -0.055 -16.348 1.036 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -0.974 -16.860 -0.366 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -0.633 -13.991 -0.569 1.00 0.00 H new ATOM 0 HD3 LYS B 27 0.933 -14.669 -0.168 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -0.766 -15.130 -2.623 1.00 0.00 H new ATOM 0 HE3 LYS B 27 0.963 -14.866 -2.512 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 0.835 -17.103 -2.974 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 0.940 -17.134 -1.279 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -0.563 -17.345 -2.040 1.00 0.00 H new ATOM 1856 N LEU B 28 -3.778 -13.279 1.256 1.00 0.00 N ATOM 1857 CA LEU B 28 -5.137 -12.844 1.439 1.00 0.00 C ATOM 1858 C LEU B 28 -5.958 -13.318 0.249 1.00 0.00 C ATOM 1859 O LEU B 28 -5.500 -13.236 -0.885 1.00 0.00 O ATOM 1860 CB LEU B 28 -5.190 -11.320 1.570 1.00 0.00 C ATOM 1861 CG LEU B 28 -6.632 -10.844 1.713 1.00 0.00 C ATOM 1862 CD1 LEU B 28 -7.188 -11.284 3.065 1.00 0.00 C ATOM 1863 CD2 LEU B 28 -6.669 -9.326 1.627 1.00 0.00 C ATOM 0 H LEU B 28 -3.465 -13.269 0.285 1.00 0.00 H new ATOM 0 HA LEU B 28 -5.549 -13.268 2.355 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -4.609 -11.004 2.436 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -4.734 -10.858 0.694 1.00 0.00 H new ATOM 0 HG LEU B 28 -7.236 -11.276 0.915 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -8.218 -10.942 3.163 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -7.158 -12.371 3.134 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -6.585 -10.853 3.864 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -7.698 -8.981 1.729 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -6.063 -8.901 2.427 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -6.273 -9.006 0.663 1.00 0.00 H new ATOM 1875 N SER B 29 -7.128 -13.850 0.496 1.00 0.00 N ATOM 1876 CA SER B 29 -7.977 -14.303 -0.588 1.00 0.00 C ATOM 1877 C SER B 29 -9.081 -13.278 -0.822 1.00 0.00 C ATOM 1878 O SER B 29 -9.292 -12.378 0.005 1.00 0.00 O ATOM 1879 CB SER B 29 -8.552 -15.686 -0.287 1.00 0.00 C ATOM 1880 OG SER B 29 -7.645 -16.395 0.558 1.00 0.00 O ATOM 0 H SER B 29 -7.517 -13.982 1.430 1.00 0.00 H new ATOM 0 HA SER B 29 -7.385 -14.395 -1.498 1.00 0.00 H new ATOM 0 HB2 SER B 29 -9.523 -15.592 0.199 1.00 0.00 H new ATOM 0 HB3 SER B 29 -8.711 -16.237 -1.214 1.00 0.00 H new ATOM 0 HG SER B 29 -7.374 -15.819 1.303 1.00 0.00 H new ATOM 1886 N LYS B 30 -9.744 -13.352 -1.964 1.00 0.00 N ATOM 1887 CA LYS B 30 -10.782 -12.375 -2.254 1.00 0.00 C ATOM 1888 C LYS B 30 -11.966 -12.617 -1.351 1.00 0.00 C ATOM 1889 O LYS B 30 -12.923 -11.849 -1.349 1.00 0.00 O ATOM 1890 CB LYS B 30 -11.263 -12.506 -3.696 1.00 0.00 C ATOM 1891 CG LYS B 30 -10.096 -12.393 -4.683 1.00 0.00 C ATOM 1892 CD LYS B 30 -9.417 -11.014 -4.590 1.00 0.00 C ATOM 1893 CE LYS B 30 -9.724 -10.166 -5.851 1.00 0.00 C ATOM 1894 NZ LYS B 30 -9.842 -11.025 -7.077 1.00 0.00 N ATOM 0 H LYS B 30 -9.590 -14.055 -2.686 1.00 0.00 H new ATOM 0 HA LYS B 30 -10.364 -11.381 -2.095 1.00 0.00 H new ATOM 0 HB2 LYS B 30 -11.764 -13.465 -3.829 1.00 0.00 H new ATOM 0 HB3 LYS B 30 -11.999 -11.730 -3.908 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -9.365 -13.175 -4.477 1.00 0.00 H new ATOM 0 HG3 LYS B 30 -10.458 -12.555 -5.698 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -9.766 -10.491 -3.700 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -8.340 -11.140 -4.484 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -10.652 -9.613 -5.702 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -8.934 -9.429 -5.996 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -9.184 -10.682 -7.806 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -9.608 -12.009 -6.835 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -10.815 -10.980 -7.440 1.00 0.00 H new ATOM 1908 N LYS B 31 -11.908 -13.702 -0.607 1.00 0.00 N ATOM 1909 CA LYS B 31 -13.002 -14.073 0.260 1.00 0.00 C ATOM 1910 C LYS B 31 -13.133 -12.994 1.322 1.00 0.00 C ATOM 1911 O LYS B 31 -14.219 -12.437 1.549 1.00 0.00 O ATOM 1912 CB LYS B 31 -12.647 -15.394 0.953 1.00 0.00 C ATOM 1913 CG LYS B 31 -12.182 -16.418 -0.095 1.00 0.00 C ATOM 1914 CD LYS B 31 -11.760 -17.723 0.597 1.00 0.00 C ATOM 1915 CE LYS B 31 -10.813 -18.505 -0.320 1.00 0.00 C ATOM 1916 NZ LYS B 31 -11.535 -18.972 -1.528 1.00 0.00 N ATOM 0 H LYS B 31 -11.114 -14.341 -0.587 1.00 0.00 H new ATOM 0 HA LYS B 31 -13.928 -14.181 -0.305 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -11.861 -15.230 1.690 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -13.513 -15.778 1.492 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -12.986 -16.616 -0.804 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -11.347 -16.013 -0.666 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -11.267 -17.502 1.544 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -12.639 -18.325 0.828 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -9.974 -17.873 -0.611 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -10.398 -19.358 0.217 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -10.916 -19.599 -2.082 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -12.389 -19.492 -1.243 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -11.807 -18.153 -2.108 1.00 0.00 H new ATOM 1930 N GLU B 32 -11.981 -12.655 1.900 1.00 0.00 N ATOM 1931 CA GLU B 32 -11.862 -11.631 2.922 1.00 0.00 C ATOM 1932 C GLU B 32 -11.625 -10.258 2.319 1.00 0.00 C ATOM 1933 O GLU B 32 -12.101 -9.265 2.848 1.00 0.00 O ATOM 1934 CB GLU B 32 -10.676 -11.970 3.817 1.00 0.00 C ATOM 1935 CG GLU B 32 -10.971 -13.225 4.615 1.00 0.00 C ATOM 1936 CD GLU B 32 -11.904 -12.901 5.764 1.00 0.00 C ATOM 1937 OE1 GLU B 32 -11.603 -11.977 6.513 1.00 0.00 O ATOM 1938 OE2 GLU B 32 -12.911 -13.560 5.888 1.00 0.00 O ATOM 0 H GLU B 32 -11.092 -13.096 1.663 1.00 0.00 H new ATOM 0 HA GLU B 32 -12.795 -11.605 3.485 1.00 0.00 H new ATOM 0 HB2 GLU B 32 -9.782 -12.116 3.210 1.00 0.00 H new ATOM 0 HB3 GLU B 32 -10.470 -11.140 4.492 1.00 0.00 H new ATOM 0 HG2 GLU B 32 -11.423 -13.978 3.970 1.00 0.00 H new ATOM 0 HG3 GLU B 32 -10.043 -13.649 4.998 1.00 0.00 H new ATOM 1945 N LEU B 33 -10.763 -10.188 1.309 1.00 0.00 N ATOM 1946 CA LEU B 33 -10.267 -8.897 0.816 1.00 0.00 C ATOM 1947 C LEU B 33 -11.410 -7.958 0.491 1.00 0.00 C ATOM 1948 O LEU B 33 -11.434 -6.814 0.952 1.00 0.00 O ATOM 1949 CB LEU B 33 -9.387 -9.111 -0.436 1.00 0.00 C ATOM 1950 CG LEU B 33 -8.871 -7.770 -1.017 1.00 0.00 C ATOM 1951 CD1 LEU B 33 -9.944 -7.127 -1.898 1.00 0.00 C ATOM 1952 CD2 LEU B 33 -8.460 -6.797 0.103 1.00 0.00 C ATOM 0 H LEU B 33 -10.393 -11.000 0.816 1.00 0.00 H new ATOM 0 HA LEU B 33 -9.668 -8.442 1.605 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -8.539 -9.745 -0.179 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -9.961 -9.639 -1.197 1.00 0.00 H new ATOM 0 HG LEU B 33 -7.990 -7.985 -1.622 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -9.569 -6.186 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -10.191 -7.799 -2.719 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -10.837 -6.937 -1.303 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -8.103 -5.866 -0.337 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -9.320 -6.591 0.740 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -7.666 -7.244 0.700 1.00 0.00 H new ATOM 1964 N LYS B 34 -12.392 -8.456 -0.217 1.00 0.00 N ATOM 1965 CA LYS B 34 -13.544 -7.637 -0.543 1.00 0.00 C ATOM 1966 C LYS B 34 -14.218 -7.139 0.723 1.00 0.00 C ATOM 1967 O LYS B 34 -14.558 -5.959 0.839 1.00 0.00 O ATOM 1968 CB LYS B 34 -14.542 -8.420 -1.408 1.00 0.00 C ATOM 1969 CG LYS B 34 -14.993 -9.691 -0.672 1.00 0.00 C ATOM 1970 CD LYS B 34 -15.944 -10.493 -1.562 1.00 0.00 C ATOM 1971 CE LYS B 34 -16.135 -11.906 -0.989 1.00 0.00 C ATOM 1972 NZ LYS B 34 -16.334 -11.853 0.490 1.00 0.00 N ATOM 0 H LYS B 34 -12.423 -9.410 -0.577 1.00 0.00 H new ATOM 0 HA LYS B 34 -13.198 -6.776 -1.114 1.00 0.00 H new ATOM 0 HB2 LYS B 34 -15.406 -7.796 -1.636 1.00 0.00 H new ATOM 0 HB3 LYS B 34 -14.081 -8.685 -2.359 1.00 0.00 H new ATOM 0 HG2 LYS B 34 -14.126 -10.298 -0.410 1.00 0.00 H new ATOM 0 HG3 LYS B 34 -15.490 -9.425 0.261 1.00 0.00 H new ATOM 0 HD2 LYS B 34 -16.907 -9.986 -1.629 1.00 0.00 H new ATOM 0 HD3 LYS B 34 -15.544 -10.553 -2.574 1.00 0.00 H new ATOM 0 HE2 LYS B 34 -16.995 -12.382 -1.460 1.00 0.00 H new ATOM 0 HE3 LYS B 34 -15.265 -12.519 -1.222 1.00 0.00 H new ATOM 0 HZ1 LYS B 34 -16.833 -12.710 0.804 1.00 0.00 H new ATOM 0 HZ2 LYS B 34 -15.409 -11.798 0.963 1.00 0.00 H new ATOM 0 HZ3 LYS B 34 -16.898 -11.014 0.735 1.00 0.00 H new ATOM 1986 N GLU B 35 -14.374 -8.038 1.681 1.00 0.00 N ATOM 1987 CA GLU B 35 -14.986 -7.711 2.960 1.00 0.00 C ATOM 1988 C GLU B 35 -14.047 -6.798 3.733 1.00 0.00 C ATOM 1989 O GLU B 35 -14.444 -5.782 4.296 1.00 0.00 O ATOM 1990 CB GLU B 35 -15.182 -9.001 3.780 1.00 0.00 C ATOM 1991 CG GLU B 35 -15.858 -10.102 2.937 1.00 0.00 C ATOM 1992 CD GLU B 35 -17.246 -9.690 2.504 1.00 0.00 C ATOM 1993 OE1 GLU B 35 -17.984 -9.203 3.330 1.00 0.00 O ATOM 1994 OE2 GLU B 35 -17.554 -9.877 1.344 1.00 0.00 O ATOM 0 H GLU B 35 -14.082 -9.011 1.595 1.00 0.00 H new ATOM 0 HA GLU B 35 -15.946 -7.224 2.790 1.00 0.00 H new ATOM 0 HB2 GLU B 35 -14.216 -9.356 4.140 1.00 0.00 H new ATOM 0 HB3 GLU B 35 -15.790 -8.787 4.659 1.00 0.00 H new ATOM 0 HG2 GLU B 35 -15.249 -10.315 2.058 1.00 0.00 H new ATOM 0 HG3 GLU B 35 -15.914 -11.023 3.517 1.00 0.00 H new ATOM 2001 N LEU B 36 -12.792 -7.189 3.733 1.00 0.00 N ATOM 2002 CA LEU B 36 -11.726 -6.503 4.435 1.00 0.00 C ATOM 2003 C LEU B 36 -11.548 -5.089 3.939 1.00 0.00 C ATOM 2004 O LEU B 36 -11.477 -4.151 4.734 1.00 0.00 O ATOM 2005 CB LEU B 36 -10.429 -7.335 4.230 1.00 0.00 C ATOM 2006 CG LEU B 36 -9.156 -6.474 4.227 1.00 0.00 C ATOM 2007 CD1 LEU B 36 -8.972 -5.765 5.548 1.00 0.00 C ATOM 2008 CD2 LEU B 36 -7.941 -7.362 3.962 1.00 0.00 C ATOM 0 H LEU B 36 -12.474 -8.017 3.230 1.00 0.00 H new ATOM 0 HA LEU B 36 -11.969 -6.423 5.495 1.00 0.00 H new ATOM 0 HB2 LEU B 36 -10.354 -8.081 5.021 1.00 0.00 H new ATOM 0 HB3 LEU B 36 -10.497 -7.876 3.286 1.00 0.00 H new ATOM 0 HG LEU B 36 -9.255 -5.724 3.442 1.00 0.00 H new ATOM 0 HD11 LEU B 36 -8.063 -5.164 5.515 1.00 0.00 H new ATOM 0 HD12 LEU B 36 -9.829 -5.118 5.736 1.00 0.00 H new ATOM 0 HD13 LEU B 36 -8.891 -6.501 6.348 1.00 0.00 H new ATOM 0 HD21 LEU B 36 -7.038 -6.752 3.960 1.00 0.00 H new ATOM 0 HD22 LEU B 36 -7.866 -8.118 4.743 1.00 0.00 H new ATOM 0 HD23 LEU B 36 -8.051 -7.850 2.994 1.00 0.00 H new ATOM 2020 N LEU B 37 -11.487 -4.925 2.640 1.00 0.00 N ATOM 2021 CA LEU B 37 -11.249 -3.611 2.085 1.00 0.00 C ATOM 2022 C LEU B 37 -12.375 -2.651 2.446 1.00 0.00 C ATOM 2023 O LEU B 37 -12.127 -1.564 2.976 1.00 0.00 O ATOM 2024 CB LEU B 37 -11.035 -3.704 0.554 1.00 0.00 C ATOM 2025 CG LEU B 37 -10.875 -2.312 -0.090 1.00 0.00 C ATOM 2026 CD1 LEU B 37 -12.251 -1.677 -0.329 1.00 0.00 C ATOM 2027 CD2 LEU B 37 -10.019 -1.391 0.792 1.00 0.00 C ATOM 0 H LEU B 37 -11.597 -5.672 1.954 1.00 0.00 H new ATOM 0 HA LEU B 37 -10.336 -3.208 2.523 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -10.149 -4.304 0.347 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -11.881 -4.219 0.100 1.00 0.00 H new ATOM 0 HG LEU B 37 -10.368 -2.439 -1.046 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -12.124 -0.695 -0.784 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -12.834 -2.313 -0.995 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -12.773 -1.572 0.622 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -9.922 -0.416 0.314 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -10.496 -1.272 1.765 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -9.030 -1.830 0.924 1.00 0.00 H new ATOM 2039 N GLN B 38 -13.612 -3.086 2.272 1.00 0.00 N ATOM 2040 CA GLN B 38 -14.733 -2.248 2.651 1.00 0.00 C ATOM 2041 C GLN B 38 -14.769 -2.044 4.154 1.00 0.00 C ATOM 2042 O GLN B 38 -15.107 -0.964 4.640 1.00 0.00 O ATOM 2043 CB GLN B 38 -16.076 -2.805 2.136 1.00 0.00 C ATOM 2044 CG GLN B 38 -16.384 -4.167 2.760 1.00 0.00 C ATOM 2045 CD GLN B 38 -17.794 -4.590 2.372 1.00 0.00 C ATOM 2046 OE1 GLN B 38 -18.586 -4.971 3.234 1.00 0.00 O ATOM 2047 NE2 GLN B 38 -18.166 -4.530 1.133 1.00 0.00 N ATOM 0 H GLN B 38 -13.861 -3.994 1.880 1.00 0.00 H new ATOM 0 HA GLN B 38 -14.587 -1.279 2.175 1.00 0.00 H new ATOM 0 HB2 GLN B 38 -16.877 -2.105 2.371 1.00 0.00 H new ATOM 0 HB3 GLN B 38 -16.042 -2.898 1.051 1.00 0.00 H new ATOM 0 HG2 GLN B 38 -15.662 -4.908 2.418 1.00 0.00 H new ATOM 0 HG3 GLN B 38 -16.294 -4.112 3.845 1.00 0.00 H new ATOM 0 HE21 GLN B 38 -17.510 -4.214 0.418 1.00 0.00 H new ATOM 0 HE22 GLN B 38 -19.115 -4.798 0.872 1.00 0.00 H new ATOM 2056 N THR B 39 -14.486 -3.109 4.883 1.00 0.00 N ATOM 2057 CA THR B 39 -14.545 -3.076 6.325 1.00 0.00 C ATOM 2058 C THR B 39 -13.517 -2.103 6.928 1.00 0.00 C ATOM 2059 O THR B 39 -13.874 -1.251 7.752 1.00 0.00 O ATOM 2060 CB THR B 39 -14.326 -4.500 6.859 1.00 0.00 C ATOM 2061 OG1 THR B 39 -15.363 -5.352 6.384 1.00 0.00 O ATOM 2062 CG2 THR B 39 -14.317 -4.511 8.378 1.00 0.00 C ATOM 0 H THR B 39 -14.212 -4.011 4.493 1.00 0.00 H new ATOM 0 HA THR B 39 -15.527 -2.710 6.624 1.00 0.00 H new ATOM 0 HB THR B 39 -13.360 -4.859 6.503 1.00 0.00 H new ATOM 0 HG1 THR B 39 -15.035 -5.872 5.621 1.00 0.00 H new ATOM 0 HG21 THR B 39 -14.161 -5.529 8.734 1.00 0.00 H new ATOM 0 HG22 THR B 39 -13.512 -3.872 8.742 1.00 0.00 H new ATOM 0 HG23 THR B 39 -15.272 -4.139 8.750 1.00 0.00 H new ATOM 2070 N GLU B 40 -12.249 -2.242 6.543 1.00 0.00 N ATOM 2071 CA GLU B 40 -11.206 -1.414 7.141 1.00 0.00 C ATOM 2072 C GLU B 40 -11.259 0.026 6.648 1.00 0.00 C ATOM 2073 O GLU B 40 -11.069 0.962 7.424 1.00 0.00 O ATOM 2074 CB GLU B 40 -9.812 -2.002 6.910 1.00 0.00 C ATOM 2075 CG GLU B 40 -9.781 -3.490 7.304 1.00 0.00 C ATOM 2076 CD GLU B 40 -10.112 -3.736 8.767 1.00 0.00 C ATOM 2077 OE1 GLU B 40 -10.049 -2.817 9.547 1.00 0.00 O ATOM 2078 OE2 GLU B 40 -10.439 -4.868 9.080 1.00 0.00 O ATOM 0 H GLU B 40 -11.925 -2.903 5.837 1.00 0.00 H new ATOM 0 HA GLU B 40 -11.402 -1.407 8.213 1.00 0.00 H new ATOM 0 HB2 GLU B 40 -9.534 -1.892 5.862 1.00 0.00 H new ATOM 0 HB3 GLU B 40 -9.077 -1.450 7.495 1.00 0.00 H new ATOM 0 HG2 GLU B 40 -10.490 -4.037 6.682 1.00 0.00 H new ATOM 0 HG3 GLU B 40 -8.791 -3.894 7.091 1.00 0.00 H new ATOM 2085 N LEU B 41 -11.503 0.197 5.358 1.00 0.00 N ATOM 2086 CA LEU B 41 -11.564 1.524 4.752 1.00 0.00 C ATOM 2087 C LEU B 41 -12.999 1.989 4.676 1.00 0.00 C ATOM 2088 O LEU B 41 -13.414 2.619 3.702 1.00 0.00 O ATOM 2089 CB LEU B 41 -10.931 1.512 3.353 1.00 0.00 C ATOM 2090 CG LEU B 41 -9.401 1.676 3.472 1.00 0.00 C ATOM 2091 CD1 LEU B 41 -8.782 0.407 4.061 1.00 0.00 C ATOM 2092 CD2 LEU B 41 -8.792 1.955 2.093 1.00 0.00 C ATOM 0 H LEU B 41 -11.663 -0.570 4.705 1.00 0.00 H new ATOM 0 HA LEU B 41 -10.999 2.218 5.374 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -11.168 0.577 2.844 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -11.347 2.318 2.748 1.00 0.00 H new ATOM 0 HG LEU B 41 -9.190 2.517 4.132 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -7.702 0.532 4.141 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -9.200 0.224 5.051 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -9.002 -0.440 3.411 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -7.712 2.069 2.188 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -9.011 1.123 1.423 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -9.219 2.871 1.685 1.00 0.00 H new ATOM 2104 N SER B 42 -13.766 1.633 5.685 1.00 0.00 N ATOM 2105 CA SER B 42 -15.174 1.941 5.712 1.00 0.00 C ATOM 2106 C SER B 42 -15.411 3.445 5.600 1.00 0.00 C ATOM 2107 O SER B 42 -16.332 3.885 4.900 1.00 0.00 O ATOM 2108 CB SER B 42 -15.803 1.366 6.991 1.00 0.00 C ATOM 2109 OG SER B 42 -14.759 1.039 7.929 1.00 0.00 O ATOM 0 H SER B 42 -13.430 1.125 6.503 1.00 0.00 H new ATOM 0 HA SER B 42 -15.654 1.478 4.850 1.00 0.00 H new ATOM 0 HB2 SER B 42 -16.489 2.090 7.430 1.00 0.00 H new ATOM 0 HB3 SER B 42 -16.387 0.477 6.755 1.00 0.00 H new ATOM 0 HG SER B 42 -14.814 0.089 8.161 1.00 0.00 H new ATOM 2115 N GLY B 43 -14.541 4.231 6.212 1.00 0.00 N ATOM 2116 CA GLY B 43 -14.633 5.678 6.110 1.00 0.00 C ATOM 2117 C GLY B 43 -14.326 6.143 4.693 1.00 0.00 C ATOM 2118 O GLY B 43 -15.098 6.910 4.101 1.00 0.00 O ATOM 0 H GLY B 43 -13.766 3.893 6.783 1.00 0.00 H new ATOM 0 HA2 GLY B 43 -15.633 6.004 6.395 1.00 0.00 H new ATOM 0 HA3 GLY B 43 -13.936 6.141 6.808 1.00 0.00 H new ATOM 2122 N PHE B 44 -13.248 5.610 4.109 1.00 0.00 N ATOM 2123 CA PHE B 44 -12.903 5.935 2.723 1.00 0.00 C ATOM 2124 C PHE B 44 -13.938 5.384 1.794 1.00 0.00 C ATOM 2125 O PHE B 44 -14.344 6.033 0.838 1.00 0.00 O ATOM 2126 CB PHE B 44 -11.534 5.366 2.312 1.00 0.00 C ATOM 2127 CG PHE B 44 -10.397 6.231 2.807 1.00 0.00 C ATOM 2128 CD1 PHE B 44 -10.383 7.607 2.538 1.00 0.00 C ATOM 2129 CD2 PHE B 44 -9.347 5.654 3.524 1.00 0.00 C ATOM 2130 CE1 PHE B 44 -9.319 8.396 2.990 1.00 0.00 C ATOM 2131 CE2 PHE B 44 -8.287 6.442 3.974 1.00 0.00 C ATOM 2132 CZ PHE B 44 -8.273 7.811 3.707 1.00 0.00 C ATOM 0 H PHE B 44 -12.608 4.961 4.567 1.00 0.00 H new ATOM 0 HA PHE B 44 -12.860 7.022 2.657 1.00 0.00 H new ATOM 0 HB2 PHE B 44 -11.424 4.358 2.711 1.00 0.00 H new ATOM 0 HB3 PHE B 44 -11.484 5.286 1.226 1.00 0.00 H new ATOM 0 HD1 PHE B 44 -11.192 8.058 1.983 1.00 0.00 H new ATOM 0 HD2 PHE B 44 -9.355 4.594 3.731 1.00 0.00 H new ATOM 0 HE1 PHE B 44 -9.307 9.456 2.785 1.00 0.00 H new ATOM 0 HE2 PHE B 44 -7.477 5.992 4.529 1.00 0.00 H new ATOM 0 HZ PHE B 44 -7.452 8.420 4.055 1.00 0.00 H new ATOM 2142 N LEU B 45 -14.328 4.161 2.056 1.00 0.00 N ATOM 2143 CA LEU B 45 -15.268 3.487 1.209 1.00 0.00 C ATOM 2144 C LEU B 45 -16.587 4.201 1.158 1.00 0.00 C ATOM 2145 O LEU B 45 -17.094 4.505 0.076 1.00 0.00 O ATOM 2146 CB LEU B 45 -15.471 2.054 1.719 1.00 0.00 C ATOM 2147 CG LEU B 45 -16.735 1.472 1.094 1.00 0.00 C ATOM 2148 CD1 LEU B 45 -16.654 1.532 -0.424 1.00 0.00 C ATOM 2149 CD2 LEU B 45 -16.920 0.036 1.540 1.00 0.00 C ATOM 0 H LEU B 45 -14.005 3.614 2.854 1.00 0.00 H new ATOM 0 HA LEU B 45 -14.863 3.473 0.197 1.00 0.00 H new ATOM 0 HB2 LEU B 45 -14.608 1.439 1.463 1.00 0.00 H new ATOM 0 HB3 LEU B 45 -15.554 2.051 2.806 1.00 0.00 H new ATOM 0 HG LEU B 45 -17.589 2.064 1.424 1.00 0.00 H new ATOM 0 HD11 LEU B 45 -17.564 1.113 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU B 45 -16.547 2.569 -0.742 1.00 0.00 H new ATOM 0 HD13 LEU B 45 -15.793 0.957 -0.765 1.00 0.00 H new ATOM 0 HD21 LEU B 45 -17.825 -0.371 1.089 1.00 0.00 H new ATOM 0 HD22 LEU B 45 -16.060 -0.556 1.227 1.00 0.00 H new ATOM 0 HD23 LEU B 45 -17.008 0.001 2.626 1.00 0.00 H new ATOM 2161 N ASP B 46 -17.113 4.518 2.310 1.00 0.00 N ATOM 2162 CA ASP B 46 -18.403 5.166 2.389 1.00 0.00 C ATOM 2163 C ASP B 46 -18.382 6.494 1.695 1.00 0.00 C ATOM 2164 O ASP B 46 -19.357 6.893 1.059 1.00 0.00 O ATOM 2165 CB ASP B 46 -18.803 5.322 3.832 1.00 0.00 C ATOM 2166 CG ASP B 46 -20.236 5.793 3.935 1.00 0.00 C ATOM 2167 OD1 ASP B 46 -21.116 5.061 3.525 1.00 0.00 O ATOM 2168 OD2 ASP B 46 -20.441 6.877 4.429 1.00 0.00 O ATOM 0 H ASP B 46 -16.670 4.339 3.211 1.00 0.00 H new ATOM 0 HA ASP B 46 -19.140 4.543 1.882 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -18.688 4.371 4.352 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -18.143 6.036 4.324 1.00 0.00 H new ATOM 2173 N ALA B 47 -17.261 7.163 1.790 1.00 0.00 N ATOM 2174 CA ALA B 47 -17.100 8.454 1.168 1.00 0.00 C ATOM 2175 C ALA B 47 -17.286 8.368 -0.344 1.00 0.00 C ATOM 2176 O ALA B 47 -17.833 9.289 -0.961 1.00 0.00 O ATOM 2177 CB ALA B 47 -15.722 9.020 1.484 1.00 0.00 C ATOM 0 H ALA B 47 -16.440 6.832 2.296 1.00 0.00 H new ATOM 0 HA ALA B 47 -17.867 9.116 1.570 1.00 0.00 H new ATOM 0 HB1 ALA B 47 -15.611 9.995 1.009 1.00 0.00 H new ATOM 0 HB2 ALA B 47 -15.611 9.127 2.563 1.00 0.00 H new ATOM 0 HB3 ALA B 47 -14.955 8.344 1.106 1.00 0.00 H new ATOM 2183 N GLN B 48 -16.772 7.299 -0.956 1.00 0.00 N ATOM 2184 CA GLN B 48 -16.827 7.170 -2.418 1.00 0.00 C ATOM 2185 C GLN B 48 -17.480 5.866 -2.900 1.00 0.00 C ATOM 2186 O GLN B 48 -17.091 5.333 -3.936 1.00 0.00 O ATOM 2187 CB GLN B 48 -15.425 7.322 -3.040 1.00 0.00 C ATOM 2188 CG GLN B 48 -14.399 6.509 -2.248 1.00 0.00 C ATOM 2189 CD GLN B 48 -14.480 5.046 -2.633 1.00 0.00 C ATOM 2190 OE1 GLN B 48 -13.850 4.629 -3.598 1.00 0.00 O ATOM 2191 NE2 GLN B 48 -15.237 4.242 -1.949 1.00 0.00 N ATOM 0 H GLN B 48 -16.320 6.522 -0.475 1.00 0.00 H new ATOM 0 HA GLN B 48 -17.468 7.983 -2.759 1.00 0.00 H new ATOM 0 HB2 GLN B 48 -15.442 6.987 -4.077 1.00 0.00 H new ATOM 0 HB3 GLN B 48 -15.136 8.373 -3.050 1.00 0.00 H new ATOM 0 HG2 GLN B 48 -13.396 6.888 -2.442 1.00 0.00 H new ATOM 0 HG3 GLN B 48 -14.582 6.622 -1.179 1.00 0.00 H new ATOM 0 HE21 GLN B 48 -15.760 4.593 -1.146 1.00 0.00 H new ATOM 0 HE22 GLN B 48 -15.309 3.260 -2.214 1.00 0.00 H new ATOM 2200 N LYS B 49 -18.534 5.413 -2.232 1.00 0.00 N ATOM 2201 CA LYS B 49 -19.251 4.221 -2.719 1.00 0.00 C ATOM 2202 C LYS B 49 -19.817 4.508 -4.099 1.00 0.00 C ATOM 2203 O LYS B 49 -19.870 3.626 -4.965 1.00 0.00 O ATOM 2204 CB LYS B 49 -20.406 3.828 -1.783 1.00 0.00 C ATOM 2205 CG LYS B 49 -19.857 3.290 -0.455 1.00 0.00 C ATOM 2206 CD LYS B 49 -21.017 2.962 0.509 1.00 0.00 C ATOM 2207 CE LYS B 49 -21.397 1.470 0.420 1.00 0.00 C ATOM 2208 NZ LYS B 49 -21.539 1.062 -1.000 1.00 0.00 N ATOM 0 H LYS B 49 -18.909 5.829 -1.380 1.00 0.00 H new ATOM 0 HA LYS B 49 -18.541 3.394 -2.753 1.00 0.00 H new ATOM 0 HB2 LYS B 49 -21.043 4.693 -1.597 1.00 0.00 H new ATOM 0 HB3 LYS B 49 -21.028 3.071 -2.260 1.00 0.00 H new ATOM 0 HG2 LYS B 49 -19.261 2.396 -0.636 1.00 0.00 H new ATOM 0 HG3 LYS B 49 -19.195 4.028 -0.001 1.00 0.00 H new ATOM 0 HD2 LYS B 49 -20.728 3.208 1.531 1.00 0.00 H new ATOM 0 HD3 LYS B 49 -21.883 3.578 0.266 1.00 0.00 H new ATOM 0 HE2 LYS B 49 -20.633 0.863 0.906 1.00 0.00 H new ATOM 0 HE3 LYS B 49 -22.332 1.293 0.952 1.00 0.00 H new ATOM 0 HZ1 LYS B 49 -21.877 0.080 -1.047 1.00 0.00 H new ATOM 0 HZ2 LYS B 49 -22.222 1.686 -1.474 1.00 0.00 H new ATOM 0 HZ3 LYS B 49 -20.617 1.134 -1.476 1.00 0.00 H new ATOM 2222 N ASP B 50 -20.302 5.723 -4.260 1.00 0.00 N ATOM 2223 CA ASP B 50 -20.921 6.171 -5.498 1.00 0.00 C ATOM 2224 C ASP B 50 -19.912 6.287 -6.639 1.00 0.00 C ATOM 2225 O ASP B 50 -20.291 6.283 -7.802 1.00 0.00 O ATOM 2226 CB ASP B 50 -21.601 7.527 -5.281 1.00 0.00 C ATOM 2227 CG ASP B 50 -22.499 7.854 -6.454 1.00 0.00 C ATOM 2228 OD1 ASP B 50 -23.434 7.115 -6.679 1.00 0.00 O ATOM 2229 OD2 ASP B 50 -22.249 8.847 -7.110 1.00 0.00 O ATOM 0 H ASP B 50 -20.279 6.436 -3.531 1.00 0.00 H new ATOM 0 HA ASP B 50 -21.659 5.420 -5.780 1.00 0.00 H new ATOM 0 HB2 ASP B 50 -22.185 7.506 -4.361 1.00 0.00 H new ATOM 0 HB3 ASP B 50 -20.847 8.305 -5.162 1.00 0.00 H new ATOM 2234 N VAL B 51 -18.662 6.562 -6.292 1.00 0.00 N ATOM 2235 CA VAL B 51 -17.632 6.883 -7.285 1.00 0.00 C ATOM 2236 C VAL B 51 -17.165 5.651 -8.056 1.00 0.00 C ATOM 2237 O VAL B 51 -17.239 4.529 -7.568 1.00 0.00 O ATOM 2238 CB VAL B 51 -16.435 7.584 -6.609 1.00 0.00 C ATOM 2239 CG1 VAL B 51 -15.571 8.296 -7.658 1.00 0.00 C ATOM 2240 CG2 VAL B 51 -16.944 8.619 -5.593 1.00 0.00 C ATOM 0 H VAL B 51 -18.331 6.571 -5.327 1.00 0.00 H new ATOM 0 HA VAL B 51 -18.082 7.562 -8.009 1.00 0.00 H new ATOM 0 HB VAL B 51 -15.835 6.830 -6.100 1.00 0.00 H new ATOM 0 HG11 VAL B 51 -14.731 8.786 -7.166 1.00 0.00 H new ATOM 0 HG12 VAL B 51 -15.196 7.567 -8.376 1.00 0.00 H new ATOM 0 HG13 VAL B 51 -16.172 9.042 -8.178 1.00 0.00 H new ATOM 0 HG21 VAL B 51 -16.095 9.111 -5.119 1.00 0.00 H new ATOM 0 HG22 VAL B 51 -17.554 9.363 -6.106 1.00 0.00 H new ATOM 0 HG23 VAL B 51 -17.544 8.118 -4.833 1.00 0.00 H new ATOM 2250 N ASP B 52 -16.674 5.889 -9.262 1.00 0.00 N ATOM 2251 CA ASP B 52 -16.174 4.831 -10.145 1.00 0.00 C ATOM 2252 C ASP B 52 -14.989 4.097 -9.535 1.00 0.00 C ATOM 2253 O ASP B 52 -14.796 2.899 -9.778 1.00 0.00 O ATOM 2254 CB ASP B 52 -15.709 5.466 -11.465 1.00 0.00 C ATOM 2255 CG ASP B 52 -16.846 5.658 -12.455 1.00 0.00 C ATOM 2256 OD1 ASP B 52 -17.824 4.941 -12.375 1.00 0.00 O ATOM 2257 OD2 ASP B 52 -16.707 6.503 -13.312 1.00 0.00 O ATOM 0 H ASP B 52 -16.608 6.824 -9.664 1.00 0.00 H new ATOM 0 HA ASP B 52 -16.983 4.118 -10.303 1.00 0.00 H new ATOM 0 HB2 ASP B 52 -15.247 6.431 -11.256 1.00 0.00 H new ATOM 0 HB3 ASP B 52 -14.942 4.836 -11.916 1.00 0.00 H new ATOM 2262 N ALA B 53 -14.124 4.843 -8.878 1.00 0.00 N ATOM 2263 CA ALA B 53 -12.853 4.308 -8.405 1.00 0.00 C ATOM 2264 C ALA B 53 -13.017 2.997 -7.656 1.00 0.00 C ATOM 2265 O ALA B 53 -12.312 2.036 -7.935 1.00 0.00 O ATOM 2266 CB ALA B 53 -12.122 5.325 -7.524 1.00 0.00 C ATOM 0 H ALA B 53 -14.275 5.827 -8.656 1.00 0.00 H new ATOM 0 HA ALA B 53 -12.253 4.108 -9.293 1.00 0.00 H new ATOM 0 HB1 ALA B 53 -11.177 4.900 -7.185 1.00 0.00 H new ATOM 0 HB2 ALA B 53 -11.927 6.231 -8.099 1.00 0.00 H new ATOM 0 HB3 ALA B 53 -12.741 5.569 -6.660 1.00 0.00 H new ATOM 2272 N VAL B 54 -13.923 2.956 -6.693 1.00 0.00 N ATOM 2273 CA VAL B 54 -14.061 1.753 -5.883 1.00 0.00 C ATOM 2274 C VAL B 54 -14.382 0.538 -6.746 1.00 0.00 C ATOM 2275 O VAL B 54 -13.713 -0.499 -6.642 1.00 0.00 O ATOM 2276 CB VAL B 54 -15.105 1.941 -4.761 1.00 0.00 C ATOM 2277 CG1 VAL B 54 -16.480 2.271 -5.348 1.00 0.00 C ATOM 2278 CG2 VAL B 54 -15.199 0.665 -3.912 1.00 0.00 C ATOM 0 H VAL B 54 -14.559 3.718 -6.456 1.00 0.00 H new ATOM 0 HA VAL B 54 -13.100 1.570 -5.403 1.00 0.00 H new ATOM 0 HB VAL B 54 -14.786 2.772 -4.133 1.00 0.00 H new ATOM 0 HG11 VAL B 54 -17.200 2.399 -4.539 1.00 0.00 H new ATOM 0 HG12 VAL B 54 -16.417 3.192 -5.927 1.00 0.00 H new ATOM 0 HG13 VAL B 54 -16.804 1.457 -5.996 1.00 0.00 H new ATOM 0 HG21 VAL B 54 -15.938 0.807 -3.123 1.00 0.00 H new ATOM 0 HG22 VAL B 54 -15.499 -0.171 -4.544 1.00 0.00 H new ATOM 0 HG23 VAL B 54 -14.228 0.453 -3.466 1.00 0.00 H new ATOM 2288 N ASP B 55 -15.336 0.684 -7.657 1.00 0.00 N ATOM 2289 CA ASP B 55 -15.655 -0.421 -8.554 1.00 0.00 C ATOM 2290 C ASP B 55 -14.446 -0.795 -9.374 1.00 0.00 C ATOM 2291 O ASP B 55 -14.140 -1.981 -9.561 1.00 0.00 O ATOM 2292 CB ASP B 55 -16.776 -0.040 -9.518 1.00 0.00 C ATOM 2293 CG ASP B 55 -16.982 -1.176 -10.506 1.00 0.00 C ATOM 2294 OD1 ASP B 55 -17.346 -2.254 -10.085 1.00 0.00 O ATOM 2295 OD2 ASP B 55 -16.734 -0.974 -11.668 1.00 0.00 O ATOM 0 H ASP B 55 -15.889 1.530 -7.794 1.00 0.00 H new ATOM 0 HA ASP B 55 -15.971 -1.260 -7.935 1.00 0.00 H new ATOM 0 HB2 ASP B 55 -17.697 0.153 -8.968 1.00 0.00 H new ATOM 0 HB3 ASP B 55 -16.522 0.879 -10.047 1.00 0.00 H new ATOM 2300 N LYS B 56 -13.850 0.206 -9.968 1.00 0.00 N ATOM 2301 CA LYS B 56 -12.726 0.040 -10.864 1.00 0.00 C ATOM 2302 C LYS B 56 -11.481 -0.459 -10.135 1.00 0.00 C ATOM 2303 O LYS B 56 -10.788 -1.352 -10.615 1.00 0.00 O ATOM 2304 CB LYS B 56 -12.457 1.361 -11.568 1.00 0.00 C ATOM 2305 CG LYS B 56 -13.651 1.676 -12.485 1.00 0.00 C ATOM 2306 CD LYS B 56 -13.478 3.058 -13.106 1.00 0.00 C ATOM 2307 CE LYS B 56 -14.733 3.418 -13.918 1.00 0.00 C ATOM 2308 NZ LYS B 56 -14.827 2.548 -15.116 1.00 0.00 N ATOM 0 H LYS B 56 -14.134 1.178 -9.843 1.00 0.00 H new ATOM 0 HA LYS B 56 -12.977 -0.723 -11.601 1.00 0.00 H new ATOM 0 HB2 LYS B 56 -12.319 2.158 -10.838 1.00 0.00 H new ATOM 0 HB3 LYS B 56 -11.538 1.300 -12.150 1.00 0.00 H new ATOM 0 HG2 LYS B 56 -13.727 0.922 -13.269 1.00 0.00 H new ATOM 0 HG3 LYS B 56 -14.579 1.638 -11.914 1.00 0.00 H new ATOM 0 HD2 LYS B 56 -13.312 3.801 -12.326 1.00 0.00 H new ATOM 0 HD3 LYS B 56 -12.599 3.071 -13.751 1.00 0.00 H new ATOM 0 HE2 LYS B 56 -15.623 3.298 -13.300 1.00 0.00 H new ATOM 0 HE3 LYS B 56 -14.693 4.465 -14.220 1.00 0.00 H new ATOM 0 HZ1 LYS B 56 -15.551 2.923 -15.761 1.00 0.00 H new ATOM 0 HZ2 LYS B 56 -13.908 2.526 -15.602 1.00 0.00 H new ATOM 0 HZ3 LYS B 56 -15.088 1.584 -14.825 1.00 0.00 H new ATOM 2322 N VAL B 57 -11.224 0.102 -8.962 1.00 0.00 N ATOM 2323 CA VAL B 57 -10.056 -0.269 -8.169 1.00 0.00 C ATOM 2324 C VAL B 57 -10.153 -1.720 -7.775 1.00 0.00 C ATOM 2325 O VAL B 57 -9.249 -2.520 -8.037 1.00 0.00 O ATOM 2326 CB VAL B 57 -9.962 0.634 -6.920 1.00 0.00 C ATOM 2327 CG1 VAL B 57 -8.931 0.076 -5.939 1.00 0.00 C ATOM 2328 CG2 VAL B 57 -9.539 2.045 -7.343 1.00 0.00 C ATOM 0 H VAL B 57 -11.810 0.819 -8.535 1.00 0.00 H new ATOM 0 HA VAL B 57 -9.152 -0.129 -8.762 1.00 0.00 H new ATOM 0 HB VAL B 57 -10.937 0.666 -6.434 1.00 0.00 H new ATOM 0 HG11 VAL B 57 -8.875 0.722 -5.063 1.00 0.00 H new ATOM 0 HG12 VAL B 57 -9.227 -0.927 -5.631 1.00 0.00 H new ATOM 0 HG13 VAL B 57 -7.955 0.034 -6.422 1.00 0.00 H new ATOM 0 HG21 VAL B 57 -9.472 2.684 -6.463 1.00 0.00 H new ATOM 0 HG22 VAL B 57 -8.567 2.001 -7.835 1.00 0.00 H new ATOM 0 HG23 VAL B 57 -10.277 2.454 -8.033 1.00 0.00 H new ATOM 2338 N MET B 58 -11.314 -2.083 -7.314 1.00 0.00 N ATOM 2339 CA MET B 58 -11.618 -3.448 -7.026 1.00 0.00 C ATOM 2340 C MET B 58 -11.503 -4.283 -8.296 1.00 0.00 C ATOM 2341 O MET B 58 -10.991 -5.403 -8.269 1.00 0.00 O ATOM 2342 CB MET B 58 -13.030 -3.527 -6.432 1.00 0.00 C ATOM 2343 CG MET B 58 -13.495 -4.968 -6.364 1.00 0.00 C ATOM 2344 SD MET B 58 -15.062 -5.056 -5.458 1.00 0.00 S ATOM 2345 CE MET B 58 -16.094 -4.147 -6.643 1.00 0.00 C ATOM 0 H MET B 58 -12.079 -1.434 -7.127 1.00 0.00 H new ATOM 0 HA MET B 58 -10.910 -3.848 -6.300 1.00 0.00 H new ATOM 0 HB2 MET B 58 -13.037 -3.089 -5.434 1.00 0.00 H new ATOM 0 HB3 MET B 58 -13.721 -2.944 -7.041 1.00 0.00 H new ATOM 0 HG2 MET B 58 -13.621 -5.368 -7.370 1.00 0.00 H new ATOM 0 HG3 MET B 58 -12.742 -5.581 -5.869 1.00 0.00 H new ATOM 0 HE1 MET B 58 -17.137 -4.436 -6.514 1.00 0.00 H new ATOM 0 HE2 MET B 58 -15.990 -3.076 -6.469 1.00 0.00 H new ATOM 0 HE3 MET B 58 -15.775 -4.383 -7.658 1.00 0.00 H new ATOM 2355 N LYS B 59 -11.967 -3.716 -9.398 1.00 0.00 N ATOM 2356 CA LYS B 59 -11.942 -4.386 -10.694 1.00 0.00 C ATOM 2357 C LYS B 59 -10.505 -4.651 -11.124 1.00 0.00 C ATOM 2358 O LYS B 59 -10.173 -5.738 -11.611 1.00 0.00 O ATOM 2359 CB LYS B 59 -12.627 -3.490 -11.734 1.00 0.00 C ATOM 2360 CG LYS B 59 -13.168 -4.314 -12.905 1.00 0.00 C ATOM 2361 CD LYS B 59 -14.335 -5.248 -12.469 1.00 0.00 C ATOM 2362 CE LYS B 59 -15.075 -4.736 -11.202 1.00 0.00 C ATOM 2363 NZ LYS B 59 -15.443 -3.298 -11.342 1.00 0.00 N ATOM 0 H LYS B 59 -12.372 -2.780 -9.422 1.00 0.00 H new ATOM 0 HA LYS B 59 -12.467 -5.338 -10.615 1.00 0.00 H new ATOM 0 HB2 LYS B 59 -13.443 -2.942 -11.264 1.00 0.00 H new ATOM 0 HB3 LYS B 59 -11.917 -2.750 -12.104 1.00 0.00 H new ATOM 0 HG2 LYS B 59 -13.515 -3.643 -13.691 1.00 0.00 H new ATOM 0 HG3 LYS B 59 -12.363 -4.913 -13.329 1.00 0.00 H new ATOM 0 HD2 LYS B 59 -15.048 -5.338 -13.289 1.00 0.00 H new ATOM 0 HD3 LYS B 59 -13.943 -6.246 -12.276 1.00 0.00 H new ATOM 0 HE2 LYS B 59 -15.974 -5.330 -11.036 1.00 0.00 H new ATOM 0 HE3 LYS B 59 -14.439 -4.869 -10.327 1.00 0.00 H new ATOM 0 HZ1 LYS B 59 -14.949 -2.741 -10.616 1.00 0.00 H new ATOM 0 HZ2 LYS B 59 -15.167 -2.959 -12.286 1.00 0.00 H new ATOM 0 HZ3 LYS B 59 -16.470 -3.189 -11.222 1.00 0.00 H new ATOM 2377 N GLU B 60 -9.673 -3.633 -10.995 1.00 0.00 N ATOM 2378 CA GLU B 60 -8.289 -3.723 -11.418 1.00 0.00 C ATOM 2379 C GLU B 60 -7.516 -4.752 -10.609 1.00 0.00 C ATOM 2380 O GLU B 60 -6.744 -5.527 -11.165 1.00 0.00 O ATOM 2381 CB GLU B 60 -7.614 -2.360 -11.276 1.00 0.00 C ATOM 2382 CG GLU B 60 -8.151 -1.366 -12.320 1.00 0.00 C ATOM 2383 CD GLU B 60 -7.788 -1.800 -13.736 1.00 0.00 C ATOM 2384 OE1 GLU B 60 -6.843 -2.551 -13.898 1.00 0.00 O ATOM 2385 OE2 GLU B 60 -8.457 -1.367 -14.644 1.00 0.00 O ATOM 0 H GLU B 60 -9.935 -2.730 -10.598 1.00 0.00 H new ATOM 0 HA GLU B 60 -8.284 -4.039 -12.461 1.00 0.00 H new ATOM 0 HB2 GLU B 60 -7.786 -1.968 -10.274 1.00 0.00 H new ATOM 0 HB3 GLU B 60 -6.536 -2.470 -11.395 1.00 0.00 H new ATOM 0 HG2 GLU B 60 -9.234 -1.288 -12.228 1.00 0.00 H new ATOM 0 HG3 GLU B 60 -7.742 -0.374 -12.125 1.00 0.00 H new ATOM 2392 N LEU B 61 -7.703 -4.741 -9.294 1.00 0.00 N ATOM 2393 CA LEU B 61 -6.952 -5.642 -8.414 1.00 0.00 C ATOM 2394 C LEU B 61 -7.600 -7.017 -8.348 1.00 0.00 C ATOM 2395 O LEU B 61 -7.018 -7.972 -7.812 1.00 0.00 O ATOM 2396 CB LEU B 61 -6.845 -5.054 -6.999 1.00 0.00 C ATOM 2397 CG LEU B 61 -5.719 -3.990 -6.918 1.00 0.00 C ATOM 2398 CD1 LEU B 61 -4.348 -4.671 -6.864 1.00 0.00 C ATOM 2399 CD2 LEU B 61 -5.775 -3.045 -8.127 1.00 0.00 C ATOM 0 H LEU B 61 -8.360 -4.127 -8.813 1.00 0.00 H new ATOM 0 HA LEU B 61 -5.952 -5.750 -8.834 1.00 0.00 H new ATOM 0 HB2 LEU B 61 -7.796 -4.603 -6.717 1.00 0.00 H new ATOM 0 HB3 LEU B 61 -6.646 -5.853 -6.284 1.00 0.00 H new ATOM 0 HG LEU B 61 -5.869 -3.408 -6.009 1.00 0.00 H new ATOM 0 HD11 LEU B 61 -3.567 -3.913 -6.807 1.00 0.00 H new ATOM 0 HD12 LEU B 61 -4.295 -5.313 -5.985 1.00 0.00 H new ATOM 0 HD13 LEU B 61 -4.205 -5.273 -7.762 1.00 0.00 H new ATOM 0 HD21 LEU B 61 -4.976 -2.307 -8.049 1.00 0.00 H new ATOM 0 HD22 LEU B 61 -5.650 -3.620 -9.044 1.00 0.00 H new ATOM 0 HD23 LEU B 61 -6.739 -2.536 -8.147 1.00 0.00 H new ATOM 2411 N ASP B 62 -8.804 -7.122 -8.880 1.00 0.00 N ATOM 2412 CA ASP B 62 -9.517 -8.385 -8.849 1.00 0.00 C ATOM 2413 C ASP B 62 -8.785 -9.446 -9.638 1.00 0.00 C ATOM 2414 O ASP B 62 -8.809 -10.620 -9.267 1.00 0.00 O ATOM 2415 CB ASP B 62 -10.950 -8.249 -9.373 1.00 0.00 C ATOM 2416 CG ASP B 62 -11.648 -9.592 -9.291 1.00 0.00 C ATOM 2417 OD1 ASP B 62 -11.778 -10.105 -8.201 1.00 0.00 O ATOM 2418 OD2 ASP B 62 -12.037 -10.096 -10.316 1.00 0.00 O ATOM 0 H ASP B 62 -9.304 -6.357 -9.334 1.00 0.00 H new ATOM 0 HA ASP B 62 -9.565 -8.689 -7.803 1.00 0.00 H new ATOM 0 HB2 ASP B 62 -11.494 -7.508 -8.787 1.00 0.00 H new ATOM 0 HB3 ASP B 62 -10.940 -7.895 -10.404 1.00 0.00 H new ATOM 2423 N GLU B 63 -8.187 -9.029 -10.749 1.00 0.00 N ATOM 2424 CA GLU B 63 -7.544 -9.949 -11.686 1.00 0.00 C ATOM 2425 C GLU B 63 -6.423 -10.725 -11.005 1.00 0.00 C ATOM 2426 O GLU B 63 -6.394 -11.957 -11.050 1.00 0.00 O ATOM 2427 CB GLU B 63 -6.956 -9.146 -12.852 1.00 0.00 C ATOM 2428 CG GLU B 63 -8.091 -8.489 -13.651 1.00 0.00 C ATOM 2429 CD GLU B 63 -7.540 -7.559 -14.733 1.00 0.00 C ATOM 2430 OE1 GLU B 63 -6.356 -7.320 -14.755 1.00 0.00 O ATOM 2431 OE2 GLU B 63 -8.316 -7.114 -15.542 1.00 0.00 O ATOM 0 H GLU B 63 -8.133 -8.049 -11.026 1.00 0.00 H new ATOM 0 HA GLU B 63 -8.291 -10.657 -12.046 1.00 0.00 H new ATOM 0 HB2 GLU B 63 -6.275 -8.383 -12.474 1.00 0.00 H new ATOM 0 HB3 GLU B 63 -6.373 -9.801 -13.500 1.00 0.00 H new ATOM 0 HG2 GLU B 63 -8.709 -9.260 -14.111 1.00 0.00 H new ATOM 0 HG3 GLU B 63 -8.735 -7.925 -12.976 1.00 0.00 H new ATOM 2438 N ASN B 64 -5.558 -10.016 -10.303 1.00 0.00 N ATOM 2439 CA ASN B 64 -4.503 -10.666 -9.534 1.00 0.00 C ATOM 2440 C ASN B 64 -5.102 -11.526 -8.468 1.00 0.00 C ATOM 2441 O ASN B 64 -4.693 -12.665 -8.265 1.00 0.00 O ATOM 2442 CB ASN B 64 -3.580 -9.644 -8.899 1.00 0.00 C ATOM 2443 CG ASN B 64 -2.398 -9.348 -9.811 1.00 0.00 C ATOM 2444 OD1 ASN B 64 -1.571 -10.234 -10.062 1.00 0.00 O ATOM 2445 ND2 ASN B 64 -2.252 -8.166 -10.319 1.00 0.00 N ATOM 0 H ASN B 64 -5.561 -8.998 -10.247 1.00 0.00 H new ATOM 0 HA ASN B 64 -3.920 -11.282 -10.218 1.00 0.00 H new ATOM 0 HB2 ASN B 64 -4.130 -8.725 -8.698 1.00 0.00 H new ATOM 0 HB3 ASN B 64 -3.221 -10.017 -7.940 1.00 0.00 H new ATOM 0 HD21 ASN B 64 -1.456 -7.966 -10.925 1.00 0.00 H new ATOM 0 HD22 ASN B 64 -2.933 -7.435 -10.113 1.00 0.00 H new ATOM 2452 N GLY B 65 -6.129 -11.006 -7.835 1.00 0.00 N ATOM 2453 CA GLY B 65 -6.835 -11.745 -6.821 1.00 0.00 C ATOM 2454 C GLY B 65 -7.664 -12.853 -7.442 1.00 0.00 C ATOM 2455 O GLY B 65 -8.765 -13.135 -6.983 1.00 0.00 O ATOM 0 H GLY B 65 -6.493 -10.069 -8.008 1.00 0.00 H new ATOM 0 HA2 GLY B 65 -6.124 -12.170 -6.113 1.00 0.00 H new ATOM 0 HA3 GLY B 65 -7.482 -11.072 -6.258 1.00 0.00 H new ATOM 2459 N ASP B 66 -7.125 -13.495 -8.472 1.00 0.00 N ATOM 2460 CA ASP B 66 -7.816 -14.605 -9.114 1.00 0.00 C ATOM 2461 C ASP B 66 -8.026 -15.717 -8.120 1.00 0.00 C ATOM 2462 O ASP B 66 -9.076 -16.338 -8.087 1.00 0.00 O ATOM 2463 CB ASP B 66 -7.021 -15.117 -10.323 1.00 0.00 C ATOM 2464 CG ASP B 66 -7.609 -16.421 -10.831 1.00 0.00 C ATOM 2465 OD1 ASP B 66 -8.797 -16.473 -11.061 1.00 0.00 O ATOM 2466 OD2 ASP B 66 -6.859 -17.357 -10.968 1.00 0.00 O ATOM 0 H ASP B 66 -6.217 -13.267 -8.878 1.00 0.00 H new ATOM 0 HA ASP B 66 -8.785 -14.253 -9.469 1.00 0.00 H new ATOM 0 HB2 ASP B 66 -7.035 -14.371 -11.117 1.00 0.00 H new ATOM 0 HB3 ASP B 66 -5.978 -15.266 -10.044 1.00 0.00 H new ATOM 2471 N GLY B 67 -7.041 -15.920 -7.283 1.00 0.00 N ATOM 2472 CA GLY B 67 -7.121 -16.908 -6.219 1.00 0.00 C ATOM 2473 C GLY B 67 -6.673 -16.298 -4.910 1.00 0.00 C ATOM 2474 O GLY B 67 -7.284 -16.524 -3.858 1.00 0.00 O ATOM 0 H GLY B 67 -6.158 -15.409 -7.313 1.00 0.00 H new ATOM 0 HA2 GLY B 67 -8.144 -17.274 -6.128 1.00 0.00 H new ATOM 0 HA3 GLY B 67 -6.496 -17.767 -6.462 1.00 0.00 H new ATOM 2478 N GLU B 68 -5.604 -15.520 -4.975 1.00 0.00 N ATOM 2479 CA GLU B 68 -5.033 -14.896 -3.796 1.00 0.00 C ATOM 2480 C GLU B 68 -4.680 -13.450 -4.077 1.00 0.00 C ATOM 2481 O GLU B 68 -4.245 -13.116 -5.182 1.00 0.00 O ATOM 2482 CB GLU B 68 -3.756 -15.645 -3.415 1.00 0.00 C ATOM 2483 CG GLU B 68 -4.104 -17.067 -2.977 1.00 0.00 C ATOM 2484 CD GLU B 68 -2.878 -17.940 -3.079 1.00 0.00 C ATOM 2485 OE1 GLU B 68 -1.896 -17.639 -2.440 1.00 0.00 O ATOM 2486 OE2 GLU B 68 -2.927 -18.894 -3.812 1.00 0.00 O ATOM 0 H GLU B 68 -5.111 -15.305 -5.842 1.00 0.00 H new ATOM 0 HA GLU B 68 -5.762 -14.933 -2.987 1.00 0.00 H new ATOM 0 HB2 GLU B 68 -3.072 -15.673 -4.263 1.00 0.00 H new ATOM 0 HB3 GLU B 68 -3.243 -15.121 -2.609 1.00 0.00 H new ATOM 0 HG2 GLU B 68 -4.476 -17.062 -1.952 1.00 0.00 H new ATOM 0 HG3 GLU B 68 -4.901 -17.467 -3.604 1.00 0.00 H new ATOM 2493 N VAL B 69 -4.681 -12.656 -3.033 1.00 0.00 N ATOM 2494 CA VAL B 69 -4.181 -11.307 -3.078 1.00 0.00 C ATOM 2495 C VAL B 69 -3.149 -11.148 -1.957 1.00 0.00 C ATOM 2496 O VAL B 69 -3.371 -11.608 -0.837 1.00 0.00 O ATOM 2497 CB VAL B 69 -5.343 -10.284 -2.960 1.00 0.00 C ATOM 2498 CG1 VAL B 69 -6.297 -10.662 -1.822 1.00 0.00 C ATOM 2499 CG2 VAL B 69 -4.795 -8.873 -2.723 1.00 0.00 C ATOM 0 H VAL B 69 -5.034 -12.934 -2.117 1.00 0.00 H new ATOM 0 HA VAL B 69 -3.699 -11.108 -4.035 1.00 0.00 H new ATOM 0 HB VAL B 69 -5.896 -10.302 -3.899 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -7.101 -9.928 -1.762 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -6.719 -11.648 -2.014 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -5.750 -10.678 -0.879 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -5.624 -8.170 -2.643 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -4.216 -8.858 -1.800 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -4.155 -8.586 -3.558 1.00 0.00 H new ATOM 2509 N ASP B 70 -1.974 -10.659 -2.297 1.00 0.00 N ATOM 2510 CA ASP B 70 -0.878 -10.582 -1.325 1.00 0.00 C ATOM 2511 C ASP B 70 -0.839 -9.228 -0.622 1.00 0.00 C ATOM 2512 O ASP B 70 -1.575 -8.308 -0.981 1.00 0.00 O ATOM 2513 CB ASP B 70 0.462 -10.916 -2.002 1.00 0.00 C ATOM 2514 CG ASP B 70 1.633 -10.471 -1.154 1.00 0.00 C ATOM 2515 OD1 ASP B 70 1.933 -11.151 -0.194 1.00 0.00 O ATOM 2516 OD2 ASP B 70 2.218 -9.460 -1.467 1.00 0.00 O ATOM 0 H ASP B 70 -1.744 -10.309 -3.227 1.00 0.00 H new ATOM 0 HA ASP B 70 -1.059 -11.327 -0.550 1.00 0.00 H new ATOM 0 HB2 ASP B 70 0.525 -11.990 -2.178 1.00 0.00 H new ATOM 0 HB3 ASP B 70 0.511 -10.430 -2.976 1.00 0.00 H new ATOM 2521 N PHE B 71 0.027 -9.112 0.375 1.00 0.00 N ATOM 2522 CA PHE B 71 0.150 -7.883 1.142 1.00 0.00 C ATOM 2523 C PHE B 71 0.516 -6.732 0.225 1.00 0.00 C ATOM 2524 O PHE B 71 -0.094 -5.658 0.278 1.00 0.00 O ATOM 2525 CB PHE B 71 1.204 -8.031 2.246 1.00 0.00 C ATOM 2526 CG PHE B 71 1.259 -6.760 3.068 1.00 0.00 C ATOM 2527 CD1 PHE B 71 0.189 -6.438 3.902 1.00 0.00 C ATOM 2528 CD2 PHE B 71 2.376 -5.912 3.008 1.00 0.00 C ATOM 2529 CE1 PHE B 71 0.222 -5.282 4.677 1.00 0.00 C ATOM 2530 CE2 PHE B 71 2.405 -4.746 3.789 1.00 0.00 C ATOM 2531 CZ PHE B 71 1.329 -4.437 4.622 1.00 0.00 C ATOM 0 H PHE B 71 0.656 -9.858 0.671 1.00 0.00 H new ATOM 0 HA PHE B 71 -0.811 -7.675 1.612 1.00 0.00 H new ATOM 0 HB2 PHE B 71 0.959 -8.879 2.885 1.00 0.00 H new ATOM 0 HB3 PHE B 71 2.180 -8.234 1.806 1.00 0.00 H new ATOM 0 HD1 PHE B 71 -0.671 -7.090 3.947 1.00 0.00 H new ATOM 0 HD2 PHE B 71 3.209 -6.155 2.364 1.00 0.00 H new ATOM 0 HE1 PHE B 71 -0.610 -5.040 5.321 1.00 0.00 H new ATOM 0 HE2 PHE B 71 3.260 -4.088 3.745 1.00 0.00 H new ATOM 0 HZ PHE B 71 1.354 -3.541 5.225 1.00 0.00 H new ATOM 2541 N GLN B 72 1.462 -6.979 -0.667 1.00 0.00 N ATOM 2542 CA GLN B 72 1.863 -5.974 -1.638 1.00 0.00 C ATOM 2543 C GLN B 72 0.654 -5.546 -2.452 1.00 0.00 C ATOM 2544 O GLN B 72 0.421 -4.353 -2.669 1.00 0.00 O ATOM 2545 CB GLN B 72 2.928 -6.568 -2.570 1.00 0.00 C ATOM 2546 CG GLN B 72 4.242 -6.742 -1.834 1.00 0.00 C ATOM 2547 CD GLN B 72 5.227 -7.483 -2.735 1.00 0.00 C ATOM 2548 OE1 GLN B 72 5.025 -8.657 -3.031 1.00 0.00 O ATOM 2549 NE2 GLN B 72 6.266 -6.871 -3.204 1.00 0.00 N ATOM 0 H GLN B 72 1.965 -7.864 -0.739 1.00 0.00 H new ATOM 0 HA GLN B 72 2.274 -5.107 -1.121 1.00 0.00 H new ATOM 0 HB2 GLN B 72 2.589 -7.531 -2.952 1.00 0.00 H new ATOM 0 HB3 GLN B 72 3.071 -5.915 -3.431 1.00 0.00 H new ATOM 0 HG2 GLN B 72 4.647 -5.770 -1.554 1.00 0.00 H new ATOM 0 HG3 GLN B 72 4.085 -7.300 -0.911 1.00 0.00 H new ATOM 0 HE21 GLN B 72 6.437 -5.895 -2.960 1.00 0.00 H new ATOM 0 HE22 GLN B 72 6.914 -7.364 -3.818 1.00 0.00 H new ATOM 2558 N GLU B 73 -0.136 -6.521 -2.846 1.00 0.00 N ATOM 2559 CA GLU B 73 -1.354 -6.275 -3.590 1.00 0.00 C ATOM 2560 C GLU B 73 -2.392 -5.586 -2.687 1.00 0.00 C ATOM 2561 O GLU B 73 -3.114 -4.686 -3.117 1.00 0.00 O ATOM 2562 CB GLU B 73 -1.886 -7.602 -4.126 1.00 0.00 C ATOM 2563 CG GLU B 73 -0.876 -8.162 -5.142 1.00 0.00 C ATOM 2564 CD GLU B 73 -1.333 -9.508 -5.659 1.00 0.00 C ATOM 2565 OE1 GLU B 73 -1.755 -10.313 -4.861 1.00 0.00 O ATOM 2566 OE2 GLU B 73 -1.248 -9.715 -6.847 1.00 0.00 O ATOM 0 H GLU B 73 0.047 -7.507 -2.660 1.00 0.00 H new ATOM 0 HA GLU B 73 -1.150 -5.612 -4.431 1.00 0.00 H new ATOM 0 HB2 GLU B 73 -2.032 -8.309 -3.309 1.00 0.00 H new ATOM 0 HB3 GLU B 73 -2.857 -7.457 -4.599 1.00 0.00 H new ATOM 0 HG2 GLU B 73 -0.764 -7.466 -5.973 1.00 0.00 H new ATOM 0 HG3 GLU B 73 0.103 -8.260 -4.674 1.00 0.00 H new ATOM 2573 N TYR B 74 -2.445 -6.021 -1.434 1.00 0.00 N ATOM 2574 CA TYR B 74 -3.372 -5.453 -0.448 1.00 0.00 C ATOM 2575 C TYR B 74 -3.109 -3.973 -0.219 1.00 0.00 C ATOM 2576 O TYR B 74 -4.046 -3.164 -0.236 1.00 0.00 O ATOM 2577 CB TYR B 74 -3.277 -6.243 0.873 1.00 0.00 C ATOM 2578 CG TYR B 74 -4.046 -5.566 2.007 1.00 0.00 C ATOM 2579 CD1 TYR B 74 -5.439 -5.404 1.939 1.00 0.00 C ATOM 2580 CD2 TYR B 74 -3.349 -5.125 3.144 1.00 0.00 C ATOM 2581 CE1 TYR B 74 -6.123 -4.801 3.003 1.00 0.00 C ATOM 2582 CE2 TYR B 74 -4.036 -4.524 4.203 1.00 0.00 C ATOM 2583 CZ TYR B 74 -5.421 -4.364 4.134 1.00 0.00 C ATOM 2584 OH TYR B 74 -6.094 -3.768 5.176 1.00 0.00 O ATOM 0 H TYR B 74 -1.855 -6.769 -1.070 1.00 0.00 H new ATOM 0 HA TYR B 74 -4.385 -5.540 -0.840 1.00 0.00 H new ATOM 0 HB2 TYR B 74 -3.668 -7.249 0.721 1.00 0.00 H new ATOM 0 HB3 TYR B 74 -2.230 -6.347 1.158 1.00 0.00 H new ATOM 0 HD1 TYR B 74 -5.982 -5.743 1.069 1.00 0.00 H new ATOM 0 HD2 TYR B 74 -2.278 -5.251 3.200 1.00 0.00 H new ATOM 0 HE1 TYR B 74 -7.194 -4.673 2.951 1.00 0.00 H new ATOM 0 HE2 TYR B 74 -3.495 -4.184 5.074 1.00 0.00 H new ATOM 0 HH TYR B 74 -5.457 -3.526 5.881 1.00 0.00 H new ATOM 2594 N VAL B 75 -1.852 -3.604 -0.012 1.00 0.00 N ATOM 2595 CA VAL B 75 -1.533 -2.206 0.251 1.00 0.00 C ATOM 2596 C VAL B 75 -1.893 -1.310 -0.934 1.00 0.00 C ATOM 2597 O VAL B 75 -2.457 -0.226 -0.754 1.00 0.00 O ATOM 2598 CB VAL B 75 -0.064 -2.003 0.671 1.00 0.00 C ATOM 2599 CG1 VAL B 75 0.258 -2.862 1.903 1.00 0.00 C ATOM 2600 CG2 VAL B 75 0.886 -2.367 -0.479 1.00 0.00 C ATOM 0 H VAL B 75 -1.052 -4.237 -0.020 1.00 0.00 H new ATOM 0 HA VAL B 75 -2.151 -1.907 1.098 1.00 0.00 H new ATOM 0 HB VAL B 75 0.077 -0.951 0.920 1.00 0.00 H new ATOM 0 HG11 VAL B 75 1.298 -2.710 2.190 1.00 0.00 H new ATOM 0 HG12 VAL B 75 -0.392 -2.573 2.728 1.00 0.00 H new ATOM 0 HG13 VAL B 75 0.097 -3.914 1.666 1.00 0.00 H new ATOM 0 HG21 VAL B 75 1.917 -2.216 -0.160 1.00 0.00 H new ATOM 0 HG22 VAL B 75 0.740 -3.411 -0.755 1.00 0.00 H new ATOM 0 HG23 VAL B 75 0.676 -1.732 -1.340 1.00 0.00 H new ATOM 2610 N VAL B 76 -1.595 -1.765 -2.146 1.00 0.00 N ATOM 2611 CA VAL B 76 -1.925 -0.977 -3.314 1.00 0.00 C ATOM 2612 C VAL B 76 -3.434 -0.844 -3.461 1.00 0.00 C ATOM 2613 O VAL B 76 -3.942 0.233 -3.788 1.00 0.00 O ATOM 2614 CB VAL B 76 -1.257 -1.527 -4.596 1.00 0.00 C ATOM 2615 CG1 VAL B 76 -1.700 -2.963 -4.873 1.00 0.00 C ATOM 2616 CG2 VAL B 76 -1.625 -0.642 -5.793 1.00 0.00 C ATOM 0 H VAL B 76 -1.136 -2.655 -2.338 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.517 0.023 -3.168 1.00 0.00 H new ATOM 0 HB VAL B 76 -0.177 -1.519 -4.447 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -1.215 -3.325 -5.780 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -1.419 -3.599 -4.033 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -2.782 -2.991 -5.004 1.00 0.00 H new ATOM 0 HG21 VAL B 76 -1.152 -1.033 -6.694 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -2.707 -0.638 -5.924 1.00 0.00 H new ATOM 0 HG23 VAL B 76 -1.278 0.375 -5.614 1.00 0.00 H new ATOM 2626 N LEU B 77 -4.154 -1.925 -3.178 1.00 0.00 N ATOM 2627 CA LEU B 77 -5.604 -1.905 -3.289 1.00 0.00 C ATOM 2628 C LEU B 77 -6.213 -0.882 -2.339 1.00 0.00 C ATOM 2629 O LEU B 77 -7.001 -0.028 -2.754 1.00 0.00 O ATOM 2630 CB LEU B 77 -6.181 -3.299 -2.995 1.00 0.00 C ATOM 2631 CG LEU B 77 -7.726 -3.268 -3.040 1.00 0.00 C ATOM 2632 CD1 LEU B 77 -8.216 -2.780 -4.405 1.00 0.00 C ATOM 2633 CD2 LEU B 77 -8.276 -4.671 -2.783 1.00 0.00 C ATOM 0 H LEU B 77 -3.761 -2.815 -2.874 1.00 0.00 H new ATOM 0 HA LEU B 77 -5.858 -1.620 -4.310 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -5.805 -4.016 -3.725 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -5.847 -3.638 -2.014 1.00 0.00 H new ATOM 0 HG LEU B 77 -8.080 -2.582 -2.270 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -9.306 -2.765 -4.416 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -7.838 -1.775 -4.589 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -7.854 -3.452 -5.183 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -9.365 -4.646 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -7.906 -5.353 -3.549 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -7.950 -5.016 -1.802 1.00 0.00 H new ATOM 2645 N VAL B 78 -5.786 -0.907 -1.091 1.00 0.00 N ATOM 2646 CA VAL B 78 -6.264 0.083 -0.138 1.00 0.00 C ATOM 2647 C VAL B 78 -5.724 1.463 -0.488 1.00 0.00 C ATOM 2648 O VAL B 78 -6.456 2.467 -0.446 1.00 0.00 O ATOM 2649 CB VAL B 78 -5.932 -0.316 1.312 1.00 0.00 C ATOM 2650 CG1 VAL B 78 -6.484 -1.721 1.594 1.00 0.00 C ATOM 2651 CG2 VAL B 78 -4.421 -0.324 1.536 1.00 0.00 C ATOM 0 H VAL B 78 -5.123 -1.586 -0.716 1.00 0.00 H new ATOM 0 HA VAL B 78 -7.351 0.123 -0.206 1.00 0.00 H new ATOM 0 HB VAL B 78 -6.388 0.411 1.984 1.00 0.00 H new ATOM 0 HG11 VAL B 78 -6.250 -2.005 2.620 1.00 0.00 H new ATOM 0 HG12 VAL B 78 -7.565 -1.722 1.455 1.00 0.00 H new ATOM 0 HG13 VAL B 78 -6.029 -2.435 0.907 1.00 0.00 H new ATOM 0 HG21 VAL B 78 -4.207 -0.608 2.566 1.00 0.00 H new ATOM 0 HG22 VAL B 78 -3.956 -1.040 0.858 1.00 0.00 H new ATOM 0 HG23 VAL B 78 -4.019 0.671 1.343 1.00 0.00 H new ATOM 2661 N ALA B 79 -4.458 1.510 -0.892 1.00 0.00 N ATOM 2662 CA ALA B 79 -3.840 2.765 -1.283 1.00 0.00 C ATOM 2663 C ALA B 79 -4.563 3.361 -2.457 1.00 0.00 C ATOM 2664 O ALA B 79 -4.737 4.569 -2.530 1.00 0.00 O ATOM 2665 CB ALA B 79 -2.381 2.562 -1.647 1.00 0.00 C ATOM 0 H ALA B 79 -3.846 0.697 -0.956 1.00 0.00 H new ATOM 0 HA ALA B 79 -3.902 3.444 -0.433 1.00 0.00 H new ATOM 0 HB1 ALA B 79 -1.942 3.517 -1.936 1.00 0.00 H new ATOM 0 HB2 ALA B 79 -1.844 2.161 -0.787 1.00 0.00 H new ATOM 0 HB3 ALA B 79 -2.308 1.862 -2.479 1.00 0.00 H new ATOM 2671 N ALA B 80 -4.953 2.519 -3.399 1.00 0.00 N ATOM 2672 CA ALA B 80 -5.637 2.999 -4.581 1.00 0.00 C ATOM 2673 C ALA B 80 -6.893 3.755 -4.172 1.00 0.00 C ATOM 2674 O ALA B 80 -7.077 4.915 -4.528 1.00 0.00 O ATOM 2675 CB ALA B 80 -5.996 1.832 -5.498 1.00 0.00 C ATOM 0 H ALA B 80 -4.808 1.510 -3.367 1.00 0.00 H new ATOM 0 HA ALA B 80 -4.976 3.673 -5.126 1.00 0.00 H new ATOM 0 HB1 ALA B 80 -6.510 2.209 -6.382 1.00 0.00 H new ATOM 0 HB2 ALA B 80 -5.086 1.314 -5.800 1.00 0.00 H new ATOM 0 HB3 ALA B 80 -6.649 1.139 -4.967 1.00 0.00 H new ATOM 2681 N LEU B 81 -7.679 3.141 -3.303 1.00 0.00 N ATOM 2682 CA LEU B 81 -8.839 3.821 -2.742 1.00 0.00 C ATOM 2683 C LEU B 81 -8.390 5.017 -1.922 1.00 0.00 C ATOM 2684 O LEU B 81 -8.993 6.094 -1.985 1.00 0.00 O ATOM 2685 CB LEU B 81 -9.641 2.868 -1.853 1.00 0.00 C ATOM 2686 CG LEU B 81 -10.321 1.801 -2.713 1.00 0.00 C ATOM 2687 CD1 LEU B 81 -10.949 0.740 -1.814 1.00 0.00 C ATOM 2688 CD2 LEU B 81 -11.413 2.447 -3.572 1.00 0.00 C ATOM 0 H LEU B 81 -7.540 2.186 -2.973 1.00 0.00 H new ATOM 0 HA LEU B 81 -9.472 4.157 -3.563 1.00 0.00 H new ATOM 0 HB2 LEU B 81 -8.982 2.395 -1.125 1.00 0.00 H new ATOM 0 HB3 LEU B 81 -10.390 3.425 -1.290 1.00 0.00 H new ATOM 0 HG LEU B 81 -9.577 1.337 -3.360 1.00 0.00 H new ATOM 0 HD11 LEU B 81 -11.433 -0.019 -2.430 1.00 0.00 H new ATOM 0 HD12 LEU B 81 -10.174 0.274 -1.205 1.00 0.00 H new ATOM 0 HD13 LEU B 81 -11.690 1.206 -1.164 1.00 0.00 H new ATOM 0 HD21 LEU B 81 -11.895 1.683 -4.183 1.00 0.00 H new ATOM 0 HD22 LEU B 81 -12.155 2.916 -2.925 1.00 0.00 H new ATOM 0 HD23 LEU B 81 -10.967 3.202 -4.220 1.00 0.00 H new ATOM 2700 N THR B 82 -7.332 4.827 -1.148 1.00 0.00 N ATOM 2701 CA THR B 82 -6.821 5.889 -0.309 1.00 0.00 C ATOM 2702 C THR B 82 -6.358 7.065 -1.163 1.00 0.00 C ATOM 2703 O THR B 82 -6.764 8.200 -0.936 1.00 0.00 O ATOM 2704 CB THR B 82 -5.662 5.379 0.556 1.00 0.00 C ATOM 2705 OG1 THR B 82 -6.038 4.163 1.199 1.00 0.00 O ATOM 2706 CG2 THR B 82 -5.297 6.425 1.619 1.00 0.00 C ATOM 0 H THR B 82 -6.816 3.950 -1.087 1.00 0.00 H new ATOM 0 HA THR B 82 -7.625 6.225 0.346 1.00 0.00 H new ATOM 0 HB THR B 82 -4.798 5.201 -0.084 1.00 0.00 H new ATOM 0 HG1 THR B 82 -6.225 3.479 0.522 1.00 0.00 H new ATOM 0 HG21 THR B 82 -4.473 6.053 2.228 1.00 0.00 H new ATOM 0 HG22 THR B 82 -4.997 7.352 1.130 1.00 0.00 H new ATOM 0 HG23 THR B 82 -6.162 6.614 2.255 1.00 0.00 H new ATOM 2714 N VAL B 83 -5.553 6.780 -2.181 1.00 0.00 N ATOM 2715 CA VAL B 83 -5.062 7.824 -3.059 1.00 0.00 C ATOM 2716 C VAL B 83 -6.226 8.486 -3.770 1.00 0.00 C ATOM 2717 O VAL B 83 -6.302 9.708 -3.837 1.00 0.00 O ATOM 2718 CB VAL B 83 -4.006 7.261 -4.055 1.00 0.00 C ATOM 2719 CG1 VAL B 83 -4.659 6.676 -5.307 1.00 0.00 C ATOM 2720 CG2 VAL B 83 -3.019 8.357 -4.464 1.00 0.00 C ATOM 0 H VAL B 83 -5.231 5.840 -2.414 1.00 0.00 H new ATOM 0 HA VAL B 83 -4.557 8.586 -2.465 1.00 0.00 H new ATOM 0 HB VAL B 83 -3.475 6.460 -3.540 1.00 0.00 H new ATOM 0 HG11 VAL B 83 -3.887 6.294 -5.975 1.00 0.00 H new ATOM 0 HG12 VAL B 83 -5.327 5.863 -5.023 1.00 0.00 H new ATOM 0 HG13 VAL B 83 -5.229 7.453 -5.817 1.00 0.00 H new ATOM 0 HG21 VAL B 83 -2.288 7.947 -5.160 1.00 0.00 H new ATOM 0 HG22 VAL B 83 -3.560 9.173 -4.944 1.00 0.00 H new ATOM 0 HG23 VAL B 83 -2.506 8.733 -3.579 1.00 0.00 H new ATOM 2730 N ALA B 84 -7.175 7.678 -4.227 1.00 0.00 N ATOM 2731 CA ALA B 84 -8.361 8.212 -4.866 1.00 0.00 C ATOM 2732 C ALA B 84 -9.099 9.147 -3.916 1.00 0.00 C ATOM 2733 O ALA B 84 -9.287 10.326 -4.218 1.00 0.00 O ATOM 2734 CB ALA B 84 -9.290 7.072 -5.291 1.00 0.00 C ATOM 0 H ALA B 84 -7.143 6.660 -4.166 1.00 0.00 H new ATOM 0 HA ALA B 84 -8.055 8.773 -5.749 1.00 0.00 H new ATOM 0 HB1 ALA B 84 -10.178 7.485 -5.770 1.00 0.00 H new ATOM 0 HB2 ALA B 84 -8.769 6.421 -5.993 1.00 0.00 H new ATOM 0 HB3 ALA B 84 -9.586 6.497 -4.413 1.00 0.00 H new ATOM 2740 N MET B 85 -9.421 8.658 -2.724 1.00 0.00 N ATOM 2741 CA MET B 85 -10.082 9.504 -1.739 1.00 0.00 C ATOM 2742 C MET B 85 -9.195 10.645 -1.302 1.00 0.00 C ATOM 2743 O MET B 85 -9.639 11.794 -1.206 1.00 0.00 O ATOM 2744 CB MET B 85 -10.535 8.698 -0.523 1.00 0.00 C ATOM 2745 CG MET B 85 -11.788 7.900 -0.873 1.00 0.00 C ATOM 2746 SD MET B 85 -13.063 9.048 -1.461 1.00 0.00 S ATOM 2747 CE MET B 85 -13.145 10.098 0.015 1.00 0.00 C ATOM 0 H MET B 85 -9.240 7.701 -2.421 1.00 0.00 H new ATOM 0 HA MET B 85 -10.964 9.922 -2.224 1.00 0.00 H new ATOM 0 HB2 MET B 85 -9.740 8.024 -0.205 1.00 0.00 H new ATOM 0 HB3 MET B 85 -10.740 9.367 0.313 1.00 0.00 H new ATOM 0 HG2 MET B 85 -11.563 7.160 -1.641 1.00 0.00 H new ATOM 0 HG3 MET B 85 -12.145 7.354 0.000 1.00 0.00 H new ATOM 0 HE1 MET B 85 -14.082 10.655 0.014 1.00 0.00 H new ATOM 0 HE2 MET B 85 -13.094 9.475 0.908 1.00 0.00 H new ATOM 0 HE3 MET B 85 -12.308 10.796 0.012 1.00 0.00 H new ATOM 2757 N ASN B 86 -7.935 10.352 -1.075 1.00 0.00 N ATOM 2758 CA ASN B 86 -7.013 11.380 -0.668 1.00 0.00 C ATOM 2759 C ASN B 86 -6.865 12.408 -1.779 1.00 0.00 C ATOM 2760 O ASN B 86 -6.912 13.610 -1.528 1.00 0.00 O ATOM 2761 CB ASN B 86 -5.663 10.793 -0.250 1.00 0.00 C ATOM 2762 CG ASN B 86 -5.032 11.679 0.811 1.00 0.00 C ATOM 2763 OD1 ASN B 86 -3.982 12.242 0.589 1.00 0.00 O ATOM 2764 ND2 ASN B 86 -5.621 11.839 1.958 1.00 0.00 N ATOM 0 H ASN B 86 -7.531 9.420 -1.165 1.00 0.00 H new ATOM 0 HA ASN B 86 -7.416 11.881 0.212 1.00 0.00 H new ATOM 0 HB2 ASN B 86 -5.798 9.783 0.137 1.00 0.00 H new ATOM 0 HB3 ASN B 86 -5.004 10.717 -1.115 1.00 0.00 H new ATOM 0 HD21 ASN B 86 -5.200 12.437 2.669 1.00 0.00 H new ATOM 0 HD22 ASN B 86 -6.505 11.366 2.148 1.00 0.00 H new ATOM 2771 N ASN B 87 -6.829 11.935 -3.027 1.00 0.00 N ATOM 2772 CA ASN B 87 -6.799 12.844 -4.171 1.00 0.00 C ATOM 2773 C ASN B 87 -8.027 13.710 -4.173 1.00 0.00 C ATOM 2774 O ASN B 87 -7.935 14.931 -4.326 1.00 0.00 O ATOM 2775 CB ASN B 87 -6.682 12.096 -5.507 1.00 0.00 C ATOM 2776 CG ASN B 87 -6.778 13.092 -6.669 1.00 0.00 C ATOM 2777 OD1 ASN B 87 -7.344 12.776 -7.717 1.00 0.00 O ATOM 2778 ND2 ASN B 87 -6.267 14.280 -6.547 1.00 0.00 N ATOM 0 H ASN B 87 -6.820 10.944 -3.267 1.00 0.00 H new ATOM 0 HA ASN B 87 -5.910 13.466 -4.068 1.00 0.00 H new ATOM 0 HB2 ASN B 87 -5.734 11.560 -5.553 1.00 0.00 H new ATOM 0 HB3 ASN B 87 -7.474 11.351 -5.588 1.00 0.00 H new ATOM 0 HD21 ASN B 87 -6.335 14.946 -7.316 1.00 0.00 H new ATOM 0 HD22 ASN B 87 -5.797 14.547 -5.682 1.00 0.00 H new ATOM 2785 N PHE B 88 -9.157 13.105 -3.866 1.00 0.00 N ATOM 2786 CA PHE B 88 -10.373 13.868 -3.720 1.00 0.00 C ATOM 2787 C PHE B 88 -10.190 14.882 -2.611 1.00 0.00 C ATOM 2788 O PHE B 88 -10.510 16.049 -2.783 1.00 0.00 O ATOM 2789 CB PHE B 88 -11.570 12.949 -3.425 1.00 0.00 C ATOM 2790 CG PHE B 88 -12.145 12.404 -4.722 1.00 0.00 C ATOM 2791 CD1 PHE B 88 -11.303 11.837 -5.693 1.00 0.00 C ATOM 2792 CD2 PHE B 88 -13.526 12.470 -4.956 1.00 0.00 C ATOM 2793 CE1 PHE B 88 -11.839 11.339 -6.882 1.00 0.00 C ATOM 2794 CE2 PHE B 88 -14.059 11.969 -6.152 1.00 0.00 C ATOM 2795 CZ PHE B 88 -13.215 11.405 -7.111 1.00 0.00 C ATOM 0 H PHE B 88 -9.256 12.101 -3.715 1.00 0.00 H new ATOM 0 HA PHE B 88 -10.583 14.387 -4.655 1.00 0.00 H new ATOM 0 HB2 PHE B 88 -11.256 12.126 -2.783 1.00 0.00 H new ATOM 0 HB3 PHE B 88 -12.337 13.502 -2.882 1.00 0.00 H new ATOM 0 HD1 PHE B 88 -10.238 11.786 -5.519 1.00 0.00 H new ATOM 0 HD2 PHE B 88 -14.179 12.907 -4.215 1.00 0.00 H new ATOM 0 HE1 PHE B 88 -11.189 10.902 -7.626 1.00 0.00 H new ATOM 0 HE2 PHE B 88 -15.123 12.019 -6.332 1.00 0.00 H new ATOM 0 HZ PHE B 88 -13.627 11.019 -8.032 1.00 0.00 H new ATOM 2805 N PHE B 89 -9.579 14.454 -1.511 1.00 0.00 N ATOM 2806 CA PHE B 89 -9.303 15.363 -0.397 1.00 0.00 C ATOM 2807 C PHE B 89 -8.380 16.513 -0.802 1.00 0.00 C ATOM 2808 O PHE B 89 -8.608 17.659 -0.401 1.00 0.00 O ATOM 2809 CB PHE B 89 -8.719 14.625 0.821 1.00 0.00 C ATOM 2810 CG PHE B 89 -9.820 13.924 1.596 1.00 0.00 C ATOM 2811 CD1 PHE B 89 -10.754 14.678 2.313 1.00 0.00 C ATOM 2812 CD2 PHE B 89 -9.903 12.522 1.606 1.00 0.00 C ATOM 2813 CE1 PHE B 89 -11.767 14.040 3.036 1.00 0.00 C ATOM 2814 CE2 PHE B 89 -10.918 11.885 2.330 1.00 0.00 C ATOM 2815 CZ PHE B 89 -11.849 12.643 3.044 1.00 0.00 C ATOM 0 H PHE B 89 -9.267 13.494 -1.365 1.00 0.00 H new ATOM 0 HA PHE B 89 -10.267 15.786 -0.113 1.00 0.00 H new ATOM 0 HB2 PHE B 89 -7.978 13.897 0.491 1.00 0.00 H new ATOM 0 HB3 PHE B 89 -8.204 15.333 1.470 1.00 0.00 H new ATOM 0 HD1 PHE B 89 -10.693 15.756 2.308 1.00 0.00 H new ATOM 0 HD2 PHE B 89 -9.183 11.935 1.055 1.00 0.00 H new ATOM 0 HE1 PHE B 89 -12.487 14.626 3.589 1.00 0.00 H new ATOM 0 HE2 PHE B 89 -10.981 10.807 2.336 1.00 0.00 H new ATOM 0 HZ PHE B 89 -12.632 12.151 3.602 1.00 0.00 H new