USER MOD reduce.3.24.130724 H: found=0, std=0, add=550, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 546 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -130:sc= -0.5 USER MOD Set 1.2: A 58 SER OG : rot 131:sc= 0.629 USER MOD Set 2.1: A 39 ASN : amide:sc= -5.31! C(o=-8.2!,f=-19!) USER MOD Set 2.2: A 48 GLN : amide:sc= -2.94! C(o=-8.2!,f=-7.4!) USER MOD Set 3.1: A 25 ASN : amide:sc= -10.2! C(o=-18!,f=-28!) USER MOD Set 3.2: A 38 CYS SG : rot 8:sc= -7.5! USER MOD Set 4.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 16 HIS : no HD1:sc= -7.52! C(o=-7.5!,f=-7.6!) USER MOD Set 5.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.2: A 5 TYR OH : rot 180:sc= 0 USER MOD Set 6.1: A 3 HIS : no HD1:sc= -10.5! C(o=-23!,f=-22!) USER MOD Set 6.2: A 61 HIS : no HE2:sc= -12.5! C(o=-23!,f=-21!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -0.231 K(o=-0.23,f=-0.91) USER MOD Single : A 10 GLN : amide:sc= -0.013 X(o=-0.013,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 17 ASN : amide:sc= -0.0785 K(o=-0.079,f=-1.6!) USER MOD Single : A 23 TYR OH : rot 130:sc= -1.91 USER MOD Single : A 32 HIS : no HE2:sc= -1.15 K(o=-1.2,f=-2.9!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 75:sc= 0.921 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 45:sc= 1.18 USER MOD Single : A 49 SER OG : rot 180:sc= 0.0159 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 165:sc= -0.0214 (180deg=-0.339) USER MOD Single : A 65 LYS NZ :NH3+ 159:sc= -0.0991 (180deg=-0.611) USER MOD Single : A 70 SER OG : rot 153:sc= 0.247 USER MOD Single : A 72 THR OG1 : rot -71:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.401 -1.198 -5.418 1.00 0.00 N ATOM 2 CA MET A 1 14.020 -1.770 -4.097 1.00 0.00 C ATOM 3 C MET A 1 12.523 -1.572 -3.875 1.00 0.00 C ATOM 4 O MET A 1 12.005 -0.466 -4.025 1.00 0.00 O ATOM 5 CB MET A 1 14.811 -1.066 -2.991 1.00 0.00 C ATOM 6 CG MET A 1 14.478 -1.704 -1.639 1.00 0.00 C ATOM 7 SD MET A 1 15.484 -0.937 -0.344 1.00 0.00 S ATOM 8 CE MET A 1 14.366 0.433 0.041 1.00 0.00 C ATOM 0 H1 MET A 1 15.421 -1.331 -5.573 1.00 0.00 H new ATOM 0 H2 MET A 1 13.871 -1.681 -6.171 1.00 0.00 H new ATOM 0 H3 MET A 1 14.178 -0.182 -5.434 1.00 0.00 H new ATOM 0 HA MET A 1 14.248 -2.836 -4.076 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.880 -1.144 -3.188 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.566 -0.004 -2.974 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.419 -1.575 -1.415 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.668 -2.777 -1.675 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.800 1.046 0.831 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.217 1.042 -0.850 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.407 0.037 0.374 1.00 0.00 H new ATOM 20 N ASP A 2 11.836 -2.651 -3.516 1.00 0.00 N ATOM 21 CA ASP A 2 10.400 -2.583 -3.273 1.00 0.00 C ATOM 22 C ASP A 2 10.111 -1.754 -2.028 1.00 0.00 C ATOM 23 O ASP A 2 10.852 -1.811 -1.046 1.00 0.00 O ATOM 24 CB ASP A 2 9.832 -3.991 -3.092 1.00 0.00 C ATOM 25 CG ASP A 2 9.855 -4.741 -4.420 1.00 0.00 C ATOM 26 OD1 ASP A 2 10.031 -4.096 -5.440 1.00 0.00 O ATOM 27 OD2 ASP A 2 9.696 -5.950 -4.397 1.00 0.00 O1- ATOM 0 H ASP A 2 12.246 -3.576 -3.388 1.00 0.00 H new ATOM 0 HA ASP A 2 9.926 -2.110 -4.133 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.416 -4.534 -2.349 1.00 0.00 H new ATOM 0 HB3 ASP A 2 8.811 -3.934 -2.716 1.00 0.00 H new ATOM 32 N HIS A 3 9.026 -0.979 -2.075 1.00 0.00 N ATOM 33 CA HIS A 3 8.639 -0.132 -0.943 1.00 0.00 C ATOM 34 C HIS A 3 7.402 -0.695 -0.251 1.00 0.00 C ATOM 35 O HIS A 3 6.346 -0.835 -0.865 1.00 0.00 O ATOM 36 CB HIS A 3 8.335 1.279 -1.441 1.00 0.00 C ATOM 37 CG HIS A 3 9.560 1.861 -2.089 1.00 0.00 C ATOM 38 ND1 HIS A 3 10.651 2.295 -1.353 1.00 0.00 N ATOM 39 CD2 HIS A 3 9.882 2.086 -3.405 1.00 0.00 C ATOM 40 CE1 HIS A 3 11.570 2.755 -2.223 1.00 0.00 C ATOM 41 NE2 HIS A 3 11.152 2.650 -3.487 1.00 0.00 N ATOM 0 H HIS A 3 8.402 -0.920 -2.880 1.00 0.00 H new ATOM 0 HA HIS A 3 9.464 -0.107 -0.231 1.00 0.00 H new ATOM 0 HB2 HIS A 3 7.511 1.254 -2.154 1.00 0.00 H new ATOM 0 HB3 HIS A 3 8.018 1.908 -0.610 1.00 0.00 H new ATOM 0 HD2 HIS A 3 9.246 1.860 -4.248 1.00 0.00 H new ATOM 0 HE1 HIS A 3 12.529 3.160 -1.934 1.00 0.00 H new ATOM 0 HE2 HIS A 3 11.655 2.924 -4.331 1.00 0.00 H new ATOM 49 N VAL A 4 7.540 -1.021 1.037 1.00 0.00 N ATOM 50 CA VAL A 4 6.437 -1.572 1.814 1.00 0.00 C ATOM 51 C VAL A 4 5.938 -0.556 2.836 1.00 0.00 C ATOM 52 O VAL A 4 4.896 -0.752 3.460 1.00 0.00 O ATOM 53 CB VAL A 4 6.921 -2.818 2.547 1.00 0.00 C ATOM 54 CG1 VAL A 4 7.145 -3.948 1.543 1.00 0.00 C ATOM 55 CG2 VAL A 4 8.234 -2.505 3.273 1.00 0.00 C ATOM 0 H VAL A 4 8.408 -0.911 1.561 1.00 0.00 H new ATOM 0 HA VAL A 4 5.619 -1.820 1.138 1.00 0.00 H new ATOM 0 HB VAL A 4 6.170 -3.127 3.274 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.491 -4.838 2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.209 -4.170 1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.895 -3.643 0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.581 -3.395 3.797 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.986 -2.195 2.547 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.070 -1.702 3.991 1.00 0.00 H new ATOM 65 N TYR A 5 6.695 0.521 3.011 1.00 0.00 N ATOM 66 CA TYR A 5 6.328 1.548 3.976 1.00 0.00 C ATOM 67 C TYR A 5 4.974 2.153 3.629 1.00 0.00 C ATOM 68 O TYR A 5 4.120 2.328 4.498 1.00 0.00 O ATOM 69 CB TYR A 5 7.388 2.656 3.978 1.00 0.00 C ATOM 70 CG TYR A 5 8.759 2.047 3.819 1.00 0.00 C ATOM 71 CD1 TYR A 5 9.249 1.737 2.543 1.00 0.00 C ATOM 72 CD2 TYR A 5 9.540 1.802 4.946 1.00 0.00 C ATOM 73 CE1 TYR A 5 10.526 1.178 2.404 1.00 0.00 C ATOM 74 CE2 TYR A 5 10.814 1.246 4.811 1.00 0.00 C ATOM 75 CZ TYR A 5 11.310 0.933 3.540 1.00 0.00 C ATOM 76 OH TYR A 5 12.567 0.381 3.407 1.00 0.00 O ATOM 0 H TYR A 5 7.559 0.704 2.502 1.00 0.00 H new ATOM 0 HA TYR A 5 6.268 1.088 4.962 1.00 0.00 H new ATOM 0 HB2 TYR A 5 7.195 3.359 3.167 1.00 0.00 H new ATOM 0 HB3 TYR A 5 7.336 3.221 4.909 1.00 0.00 H new ATOM 0 HD1 TYR A 5 8.644 1.929 1.669 1.00 0.00 H new ATOM 0 HD2 TYR A 5 9.159 2.043 5.927 1.00 0.00 H new ATOM 0 HE1 TYR A 5 10.906 0.936 1.423 1.00 0.00 H new ATOM 0 HE2 TYR A 5 11.417 1.058 5.687 1.00 0.00 H new ATOM 0 HH TYR A 5 12.975 0.279 4.292 1.00 0.00 H new ATOM 86 N LYS A 6 4.793 2.475 2.355 1.00 0.00 N ATOM 87 CA LYS A 6 3.544 3.066 1.898 1.00 0.00 C ATOM 88 C LYS A 6 2.382 2.116 2.151 1.00 0.00 C ATOM 89 O LYS A 6 1.328 2.522 2.640 1.00 0.00 O ATOM 90 CB LYS A 6 3.635 3.380 0.403 1.00 0.00 C ATOM 91 CG LYS A 6 2.371 4.112 -0.043 1.00 0.00 C ATOM 92 CD LYS A 6 2.509 4.541 -1.509 1.00 0.00 C ATOM 93 CE LYS A 6 2.366 3.330 -2.438 1.00 0.00 C ATOM 94 NZ LYS A 6 2.156 3.805 -3.838 1.00 0.00 N1+ ATOM 0 H LYS A 6 5.491 2.338 1.624 1.00 0.00 H new ATOM 0 HA LYS A 6 3.372 3.988 2.453 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.513 3.994 0.203 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.754 2.458 -0.166 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.503 3.463 0.075 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.204 4.986 0.587 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.748 5.284 -1.750 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.478 5.015 -1.666 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.259 2.707 -2.383 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.526 2.711 -2.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.058 2.986 -4.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.292 4.382 -3.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.971 4.378 -4.136 1.00 0.00 H new ATOM 108 N GLY A 7 2.585 0.845 1.819 1.00 0.00 N ATOM 109 CA GLY A 7 1.549 -0.159 2.015 1.00 0.00 C ATOM 110 C GLY A 7 1.248 -0.351 3.497 1.00 0.00 C ATOM 111 O GLY A 7 0.109 -0.614 3.881 1.00 0.00 O ATOM 0 H GLY A 7 3.452 0.489 1.416 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.642 0.143 1.492 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.868 -1.106 1.579 1.00 0.00 H new ATOM 115 N GLN A 8 2.284 -0.234 4.325 1.00 0.00 N ATOM 116 CA GLN A 8 2.125 -0.406 5.765 1.00 0.00 C ATOM 117 C GLN A 8 1.410 0.788 6.388 1.00 0.00 C ATOM 118 O GLN A 8 0.516 0.626 7.217 1.00 0.00 O ATOM 119 CB GLN A 8 3.495 -0.577 6.425 1.00 0.00 C ATOM 120 CG GLN A 8 3.323 -0.950 7.901 1.00 0.00 C ATOM 121 CD GLN A 8 2.699 -2.336 8.017 1.00 0.00 C ATOM 122 OE1 GLN A 8 3.061 -3.243 7.268 1.00 0.00 O ATOM 123 NE2 GLN A 8 1.772 -2.554 8.909 1.00 0.00 N ATOM 0 H GLN A 8 3.236 -0.022 4.025 1.00 0.00 H new ATOM 0 HA GLN A 8 1.520 -1.298 5.931 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.062 -1.352 5.909 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.067 0.347 6.339 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.290 -0.934 8.404 1.00 0.00 H new ATOM 0 HG3 GLN A 8 2.692 -0.215 8.400 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.473 -1.801 9.529 1.00 0.00 H new ATOM 0 HE22 GLN A 8 1.346 -3.478 8.987 1.00 0.00 H new ATOM 132 N LEU A 9 1.818 1.986 5.988 1.00 0.00 N ATOM 133 CA LEU A 9 1.215 3.206 6.517 1.00 0.00 C ATOM 134 C LEU A 9 -0.247 3.273 6.149 1.00 0.00 C ATOM 135 O LEU A 9 -1.085 3.672 6.961 1.00 0.00 O ATOM 136 CB LEU A 9 1.945 4.443 5.978 1.00 0.00 C ATOM 137 CG LEU A 9 1.387 5.719 6.628 1.00 0.00 C ATOM 138 CD1 LEU A 9 1.674 5.719 8.140 1.00 0.00 C ATOM 139 CD2 LEU A 9 2.049 6.940 5.973 1.00 0.00 C ATOM 0 H LEU A 9 2.559 2.140 5.304 1.00 0.00 H new ATOM 0 HA LEU A 9 1.306 3.189 7.603 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.013 4.361 6.181 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.830 4.498 4.895 1.00 0.00 H new ATOM 0 HG LEU A 9 0.308 5.758 6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.273 6.629 8.586 1.00 0.00 H new ATOM 0 HD12 LEU A 9 1.202 4.851 8.600 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.750 5.677 8.306 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.660 7.852 6.427 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.128 6.892 6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.829 6.944 4.905 1.00 0.00 H new ATOM 151 N GLN A 10 -0.555 2.897 4.930 1.00 0.00 N ATOM 152 CA GLN A 10 -1.926 2.940 4.491 1.00 0.00 C ATOM 153 C GLN A 10 -2.776 1.964 5.297 1.00 0.00 C ATOM 154 O GLN A 10 -3.901 2.277 5.683 1.00 0.00 O ATOM 155 CB GLN A 10 -2.008 2.612 3.003 1.00 0.00 C ATOM 156 CG GLN A 10 -3.458 2.700 2.531 1.00 0.00 C ATOM 157 CD GLN A 10 -3.509 2.561 1.013 1.00 0.00 C ATOM 158 OE1 GLN A 10 -4.151 1.649 0.494 1.00 0.00 O ATOM 159 NE2 GLN A 10 -2.861 3.413 0.268 1.00 0.00 N ATOM 0 H GLN A 10 0.114 2.563 4.236 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.313 3.946 4.652 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -1.388 3.305 2.434 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -1.617 1.611 2.820 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -4.052 1.915 2.999 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -3.893 3.652 2.834 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.330 4.168 0.701 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.886 3.324 -0.748 1.00 0.00 H new ATOM 168 N ALA A 11 -2.229 0.781 5.551 1.00 0.00 N ATOM 169 CA ALA A 11 -2.946 -0.229 6.318 1.00 0.00 C ATOM 170 C ALA A 11 -3.117 0.207 7.771 1.00 0.00 C ATOM 171 O ALA A 11 -4.152 -0.049 8.389 1.00 0.00 O ATOM 172 CB ALA A 11 -2.188 -1.555 6.263 1.00 0.00 C ATOM 0 H ALA A 11 -1.299 0.500 5.240 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.935 -0.355 5.878 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.728 -2.307 6.838 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.103 -1.883 5.227 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.192 -1.422 6.685 1.00 0.00 H new ATOM 178 N TYR A 12 -2.090 0.855 8.316 1.00 0.00 N ATOM 179 CA TYR A 12 -2.133 1.308 9.703 1.00 0.00 C ATOM 180 C TYR A 12 -3.266 2.309 9.912 1.00 0.00 C ATOM 181 O TYR A 12 -4.072 2.165 10.830 1.00 0.00 O ATOM 182 CB TYR A 12 -0.803 1.967 10.070 1.00 0.00 C ATOM 183 CG TYR A 12 -0.867 2.468 11.494 1.00 0.00 C ATOM 184 CD1 TYR A 12 -0.512 1.616 12.547 1.00 0.00 C ATOM 185 CD2 TYR A 12 -1.281 3.778 11.762 1.00 0.00 C ATOM 186 CE1 TYR A 12 -0.570 2.074 13.868 1.00 0.00 C ATOM 187 CE2 TYR A 12 -1.339 4.235 13.085 1.00 0.00 C ATOM 188 CZ TYR A 12 -0.984 3.384 14.137 1.00 0.00 C ATOM 189 OH TYR A 12 -1.042 3.835 15.439 1.00 0.00 O ATOM 0 H TYR A 12 -1.225 1.077 7.823 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.308 0.442 10.342 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.012 1.252 9.961 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -0.595 2.794 9.391 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -0.193 0.605 12.340 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.555 4.435 10.950 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -0.295 1.417 14.680 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -1.658 5.246 13.293 1.00 0.00 H new ATOM 0 HH TYR A 12 -1.348 4.766 15.449 1.00 0.00 H new ATOM 199 N ALA A 13 -3.321 3.323 9.059 1.00 0.00 N ATOM 200 CA ALA A 13 -4.358 4.339 9.169 1.00 0.00 C ATOM 201 C ALA A 13 -5.737 3.693 9.139 1.00 0.00 C ATOM 202 O ALA A 13 -6.597 3.998 9.966 1.00 0.00 O ATOM 203 CB ALA A 13 -4.232 5.339 8.010 1.00 0.00 C ATOM 0 H ALA A 13 -2.666 3.463 8.290 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.234 4.864 10.116 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -5.010 6.097 8.097 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.253 5.818 8.047 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.343 4.813 7.062 1.00 0.00 H new ATOM 209 N LEU A 14 -5.942 2.799 8.178 1.00 0.00 N ATOM 210 CA LEU A 14 -7.219 2.115 8.044 1.00 0.00 C ATOM 211 C LEU A 14 -7.511 1.259 9.271 1.00 0.00 C ATOM 212 O LEU A 14 -8.635 1.236 9.770 1.00 0.00 O ATOM 213 CB LEU A 14 -7.206 1.232 6.785 1.00 0.00 C ATOM 214 CG LEU A 14 -8.549 0.469 6.650 1.00 0.00 C ATOM 215 CD1 LEU A 14 -9.010 0.463 5.186 1.00 0.00 C ATOM 216 CD2 LEU A 14 -8.388 -0.986 7.119 1.00 0.00 C ATOM 0 H LEU A 14 -5.243 2.533 7.484 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.003 2.867 7.955 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.040 1.849 5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.380 0.522 6.839 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.289 0.975 7.270 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.954 -0.076 5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.147 1.489 4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.257 -0.028 4.570 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.339 -1.508 7.018 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.634 -1.484 6.509 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.076 -0.999 8.163 1.00 0.00 H new ATOM 228 N GLN A 15 -6.494 0.549 9.749 1.00 0.00 N ATOM 229 CA GLN A 15 -6.663 -0.312 10.913 1.00 0.00 C ATOM 230 C GLN A 15 -7.003 0.515 12.148 1.00 0.00 C ATOM 231 O GLN A 15 -7.848 0.128 12.954 1.00 0.00 O ATOM 232 CB GLN A 15 -5.378 -1.106 11.161 1.00 0.00 C ATOM 233 CG GLN A 15 -5.616 -2.137 12.266 1.00 0.00 C ATOM 234 CD GLN A 15 -4.326 -2.894 12.559 1.00 0.00 C ATOM 235 OE1 GLN A 15 -3.258 -2.288 12.650 1.00 0.00 O ATOM 236 NE2 GLN A 15 -4.361 -4.189 12.714 1.00 0.00 N ATOM 0 H GLN A 15 -5.554 0.552 9.353 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.485 -1.001 10.718 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -5.065 -1.606 10.244 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -4.571 -0.431 11.447 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -5.968 -1.639 13.169 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.396 -2.835 11.962 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -5.247 -4.688 12.638 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.502 -4.702 12.911 1.00 0.00 H new ATOM 245 N HIS A 16 -6.334 1.657 12.290 1.00 0.00 N ATOM 246 CA HIS A 16 -6.562 2.541 13.431 1.00 0.00 C ATOM 247 C HIS A 16 -7.671 3.547 13.124 1.00 0.00 C ATOM 248 O HIS A 16 -8.067 4.328 13.988 1.00 0.00 O ATOM 249 CB HIS A 16 -5.269 3.286 13.782 1.00 0.00 C ATOM 250 CG HIS A 16 -4.293 2.328 14.412 1.00 0.00 C ATOM 251 ND1 HIS A 16 -4.188 2.180 15.786 1.00 0.00 N ATOM 252 CD2 HIS A 16 -3.374 1.461 13.873 1.00 0.00 C ATOM 253 CE1 HIS A 16 -3.240 1.255 16.025 1.00 0.00 C ATOM 254 NE2 HIS A 16 -2.711 0.785 14.893 1.00 0.00 N ATOM 0 H HIS A 16 -5.631 1.992 11.631 1.00 0.00 H new ATOM 0 HA HIS A 16 -6.871 1.932 14.281 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -4.835 3.726 12.884 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -5.484 4.106 14.467 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.193 1.324 12.817 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -2.943 0.932 17.012 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -1.979 0.082 14.796 1.00 0.00 H new ATOM 262 N ASN A 17 -8.167 3.518 11.890 1.00 0.00 N ATOM 263 CA ASN A 17 -9.233 4.430 11.484 1.00 0.00 C ATOM 264 C ASN A 17 -8.772 5.877 11.599 1.00 0.00 C ATOM 265 O ASN A 17 -9.291 6.644 12.411 1.00 0.00 O ATOM 266 CB ASN A 17 -10.468 4.211 12.361 1.00 0.00 C ATOM 267 CG ASN A 17 -11.688 4.855 11.709 1.00 0.00 C ATOM 268 OD1 ASN A 17 -11.799 4.870 10.484 1.00 0.00 O ATOM 269 ND2 ASN A 17 -12.613 5.388 12.458 1.00 0.00 N ATOM 0 H ASN A 17 -7.852 2.879 11.160 1.00 0.00 H new ATOM 0 HA ASN A 17 -9.486 4.225 10.444 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -10.641 3.144 12.502 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.304 4.640 13.349 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -13.432 5.819 12.028 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -12.518 5.374 13.473 1.00 0.00 H new ATOM 276 N LEU A 18 -7.787 6.250 10.783 1.00 0.00 N ATOM 277 CA LEU A 18 -7.250 7.611 10.800 1.00 0.00 C ATOM 278 C LEU A 18 -7.234 8.200 9.391 1.00 0.00 C ATOM 279 O LEU A 18 -7.071 7.479 8.408 1.00 0.00 O ATOM 280 CB LEU A 18 -5.827 7.587 11.369 1.00 0.00 C ATOM 281 CG LEU A 18 -5.848 7.020 12.795 1.00 0.00 C ATOM 282 CD1 LEU A 18 -4.409 6.823 13.279 1.00 0.00 C ATOM 283 CD2 LEU A 18 -6.578 7.986 13.744 1.00 0.00 C ATOM 0 H LEU A 18 -7.345 5.631 10.103 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.887 8.235 11.427 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.182 6.978 10.735 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.410 8.594 11.374 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.374 6.066 12.791 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.418 6.420 14.292 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.894 6.127 12.616 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.889 7.781 13.274 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.585 7.570 14.752 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -6.064 8.947 13.751 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.604 8.126 13.402 1.00 0.00 H new ATOM 295 N GLU A 19 -7.401 9.518 9.305 1.00 0.00 N ATOM 296 CA GLU A 19 -7.401 10.201 8.023 1.00 0.00 C ATOM 297 C GLU A 19 -6.221 9.734 7.191 1.00 0.00 C ATOM 298 O GLU A 19 -5.165 9.391 7.724 1.00 0.00 O ATOM 299 CB GLU A 19 -7.321 11.715 8.237 1.00 0.00 C ATOM 300 CG GLU A 19 -8.592 12.198 8.940 1.00 0.00 C ATOM 301 CD GLU A 19 -8.550 11.813 10.414 1.00 0.00 C ATOM 302 OE1 GLU A 19 -9.016 10.731 10.740 1.00 0.00 O ATOM 303 OE2 GLU A 19 -8.052 12.603 11.199 1.00 0.00 O1- ATOM 0 H GLU A 19 -7.538 10.130 10.110 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.325 9.966 7.495 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.445 11.963 8.836 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.207 12.223 7.279 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.684 13.280 8.841 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.469 11.758 8.466 1.00 0.00 H new ATOM 310 N LEU A 20 -6.408 9.708 5.888 1.00 0.00 N ATOM 311 CA LEU A 20 -5.359 9.261 4.989 1.00 0.00 C ATOM 312 C LEU A 20 -4.077 10.074 5.199 1.00 0.00 C ATOM 313 O LEU A 20 -4.137 11.272 5.487 1.00 0.00 O ATOM 314 CB LEU A 20 -5.824 9.401 3.538 1.00 0.00 C ATOM 315 CG LEU A 20 -7.257 8.867 3.393 1.00 0.00 C ATOM 316 CD1 LEU A 20 -7.635 8.827 1.910 1.00 0.00 C ATOM 317 CD2 LEU A 20 -7.347 7.453 3.978 1.00 0.00 C ATOM 0 H LEU A 20 -7.273 9.990 5.427 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.145 8.214 5.205 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.784 10.447 3.234 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.153 8.851 2.878 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.942 9.523 3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.652 8.448 1.804 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.577 9.832 1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.946 8.172 1.377 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.366 7.080 3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.662 6.794 3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.078 7.478 5.034 1.00 0.00 H new ATOM 329 N PRO A 21 -2.920 9.462 5.056 1.00 0.00 N ATOM 330 CA PRO A 21 -1.614 10.167 5.232 1.00 0.00 C ATOM 331 C PRO A 21 -1.342 11.146 4.095 1.00 0.00 C ATOM 332 O PRO A 21 -1.823 10.964 2.976 1.00 0.00 O ATOM 333 CB PRO A 21 -0.580 9.027 5.246 1.00 0.00 C ATOM 334 CG PRO A 21 -1.215 7.923 4.463 1.00 0.00 C ATOM 335 CD PRO A 21 -2.721 8.041 4.711 1.00 0.00 C ATOM 0 HA PRO A 21 -1.589 10.772 6.138 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.361 9.341 4.794 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -0.355 8.710 6.264 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.986 8.016 3.401 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -0.842 6.951 4.786 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.293 7.762 3.826 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.044 7.386 5.520 1.00 0.00 H new ATOM 343 N VAL A 22 -0.560 12.182 4.392 1.00 0.00 N ATOM 344 CA VAL A 22 -0.213 13.194 3.387 1.00 0.00 C ATOM 345 C VAL A 22 1.302 13.384 3.326 1.00 0.00 C ATOM 346 O VAL A 22 1.956 13.569 4.346 1.00 0.00 O ATOM 347 CB VAL A 22 -0.886 14.530 3.731 1.00 0.00 C ATOM 348 CG1 VAL A 22 -0.357 15.638 2.811 1.00 0.00 C ATOM 349 CG2 VAL A 22 -2.403 14.407 3.554 1.00 0.00 C ATOM 0 H VAL A 22 -0.155 12.346 5.314 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.567 12.852 2.414 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.658 14.782 4.767 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.841 16.582 3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.721 15.736 2.942 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.575 15.384 1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.876 15.358 3.799 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.629 14.145 2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -2.785 13.630 4.216 1.00 0.00 H new ATOM 359 N TYR A 23 1.836 13.345 2.110 1.00 0.00 N ATOM 360 CA TYR A 23 3.263 13.514 1.882 1.00 0.00 C ATOM 361 C TYR A 23 3.550 14.868 1.258 1.00 0.00 C ATOM 362 O TYR A 23 2.743 15.396 0.494 1.00 0.00 O ATOM 363 CB TYR A 23 3.762 12.422 0.956 1.00 0.00 C ATOM 364 CG TYR A 23 3.698 11.100 1.674 1.00 0.00 C ATOM 365 CD1 TYR A 23 2.461 10.501 1.927 1.00 0.00 C ATOM 366 CD2 TYR A 23 4.874 10.474 2.083 1.00 0.00 C ATOM 367 CE1 TYR A 23 2.402 9.271 2.590 1.00 0.00 C ATOM 368 CE2 TYR A 23 4.822 9.245 2.749 1.00 0.00 C ATOM 369 CZ TYR A 23 3.585 8.642 3.001 1.00 0.00 C ATOM 370 OH TYR A 23 3.531 7.427 3.652 1.00 0.00 O ATOM 0 H TYR A 23 1.293 13.196 1.259 1.00 0.00 H new ATOM 0 HA TYR A 23 3.776 13.452 2.842 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.154 12.389 0.052 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.785 12.632 0.644 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.550 10.988 1.610 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.828 10.939 1.885 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.447 8.807 2.785 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.734 8.763 3.068 1.00 0.00 H new ATOM 0 HH TYR A 23 4.148 6.798 3.223 1.00 0.00 H new ATOM 380 N ALA A 24 4.719 15.412 1.576 1.00 0.00 N ATOM 381 CA ALA A 24 5.150 16.700 1.029 1.00 0.00 C ATOM 382 C ALA A 24 6.505 16.523 0.352 1.00 0.00 C ATOM 383 O ALA A 24 7.505 16.272 1.013 1.00 0.00 O ATOM 384 CB ALA A 24 5.256 17.737 2.142 1.00 0.00 C ATOM 0 H ALA A 24 5.390 14.982 2.212 1.00 0.00 H new ATOM 0 HA ALA A 24 4.417 17.048 0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.577 18.690 1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 24 4.283 17.860 2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.983 17.403 2.882 1.00 0.00 H new ATOM 390 N ASN A 25 6.528 16.639 -0.971 1.00 0.00 N ATOM 391 CA ASN A 25 7.767 16.463 -1.730 1.00 0.00 C ATOM 392 C ASN A 25 8.238 17.789 -2.299 1.00 0.00 C ATOM 393 O ASN A 25 7.429 18.614 -2.725 1.00 0.00 O ATOM 394 CB ASN A 25 7.524 15.483 -2.883 1.00 0.00 C ATOM 395 CG ASN A 25 7.242 14.089 -2.333 1.00 0.00 C ATOM 396 OD1 ASN A 25 8.166 13.302 -2.127 1.00 0.00 O ATOM 397 ND2 ASN A 25 6.014 13.735 -2.079 1.00 0.00 N ATOM 0 H ASN A 25 5.709 16.853 -1.540 1.00 0.00 H new ATOM 0 HA ASN A 25 8.532 16.073 -1.059 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.682 15.821 -3.487 1.00 0.00 H new ATOM 0 HB3 ASN A 25 8.395 15.455 -3.537 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.817 12.805 -1.709 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.249 14.388 -2.250 1.00 0.00 H new ATOM 404 N GLU A 26 9.554 17.979 -2.326 1.00 0.00 N ATOM 405 CA GLU A 26 10.136 19.205 -2.876 1.00 0.00 C ATOM 406 C GLU A 26 11.491 18.890 -3.507 1.00 0.00 C ATOM 407 O GLU A 26 12.175 17.955 -3.091 1.00 0.00 O ATOM 408 CB GLU A 26 10.284 20.263 -1.783 1.00 0.00 C ATOM 409 CG GLU A 26 10.867 19.616 -0.528 1.00 0.00 C ATOM 410 CD GLU A 26 11.100 20.670 0.546 1.00 0.00 C ATOM 411 OE1 GLU A 26 11.400 21.797 0.188 1.00 0.00 O ATOM 412 OE2 GLU A 26 10.975 20.337 1.713 1.00 0.00 O1- ATOM 0 H GLU A 26 10.236 17.306 -1.976 1.00 0.00 H new ATOM 0 HA GLU A 26 9.472 19.603 -3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.934 21.068 -2.126 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.315 20.709 -1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.187 18.850 -0.155 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.806 19.118 -0.769 1.00 0.00 H new ATOM 419 N ARG A 27 11.877 19.670 -4.521 1.00 0.00 N ATOM 420 CA ARG A 27 13.147 19.461 -5.209 1.00 0.00 C ATOM 421 C ARG A 27 14.066 20.634 -4.934 1.00 0.00 C ATOM 422 O ARG A 27 13.650 21.791 -5.013 1.00 0.00 O ATOM 423 CB ARG A 27 12.914 19.347 -6.717 1.00 0.00 C ATOM 424 CG ARG A 27 14.237 19.024 -7.411 1.00 0.00 C ATOM 425 CD ARG A 27 13.994 18.826 -8.908 1.00 0.00 C ATOM 426 NE ARG A 27 13.574 20.078 -9.523 1.00 0.00 N ATOM 427 CZ ARG A 27 13.171 20.118 -10.788 1.00 0.00 C ATOM 428 NH1 ARG A 27 13.135 19.022 -11.495 1.00 0.00 N ATOM 429 NH2 ARG A 27 12.811 21.252 -11.323 1.00 0.00 N1+ ATOM 0 H ARG A 27 11.327 20.450 -4.881 1.00 0.00 H new ATOM 0 HA ARG A 27 13.602 18.540 -4.845 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.181 18.567 -6.925 1.00 0.00 H new ATOM 0 HB3 ARG A 27 12.505 20.280 -7.105 1.00 0.00 H new ATOM 0 HG2 ARG A 27 14.950 19.833 -7.252 1.00 0.00 H new ATOM 0 HG3 ARG A 27 14.675 18.123 -6.981 1.00 0.00 H new ATOM 0 HD2 ARG A 27 14.905 18.466 -9.386 1.00 0.00 H new ATOM 0 HD3 ARG A 27 13.230 18.064 -9.061 1.00 0.00 H new ATOM 0 HE ARG A 27 13.590 20.937 -8.974 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.416 18.135 -11.076 1.00 0.00 H new ATOM 0 HH12 ARG A 27 12.826 19.052 -12.467 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.839 22.109 -10.770 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.502 21.282 -12.294 1.00 0.00 H new ATOM 443 N GLU A 28 15.317 20.346 -4.616 1.00 0.00 N ATOM 444 CA GLU A 28 16.265 21.405 -4.344 1.00 0.00 C ATOM 445 C GLU A 28 17.697 20.869 -4.377 1.00 0.00 C ATOM 446 O GLU A 28 18.099 20.100 -3.502 1.00 0.00 O ATOM 447 CB GLU A 28 15.971 22.034 -2.972 1.00 0.00 C ATOM 448 CG GLU A 28 15.552 20.944 -1.981 1.00 0.00 C ATOM 449 CD GLU A 28 15.349 21.552 -0.596 1.00 0.00 C ATOM 450 OE1 GLU A 28 16.214 22.297 -0.163 1.00 0.00 O ATOM 451 OE2 GLU A 28 14.332 21.262 0.015 1.00 0.00 O1- ATOM 0 H GLU A 28 15.693 19.401 -4.541 1.00 0.00 H new ATOM 0 HA GLU A 28 16.163 22.167 -5.117 1.00 0.00 H new ATOM 0 HB2 GLU A 28 16.855 22.554 -2.603 1.00 0.00 H new ATOM 0 HB3 GLU A 28 15.180 22.778 -3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.631 20.469 -2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 28 16.315 20.166 -1.938 1.00 0.00 H new ATOM 458 N GLY A 29 18.463 21.249 -5.394 1.00 0.00 N ATOM 459 CA GLY A 29 19.839 20.779 -5.497 1.00 0.00 C ATOM 460 C GLY A 29 20.403 21.023 -6.890 1.00 0.00 C ATOM 461 O GLY A 29 19.781 21.693 -7.717 1.00 0.00 O ATOM 0 H GLY A 29 18.162 21.869 -6.146 1.00 0.00 H new ATOM 0 HA2 GLY A 29 20.456 21.289 -4.758 1.00 0.00 H new ATOM 0 HA3 GLY A 29 19.880 19.714 -5.267 1.00 0.00 H new ATOM 465 N PRO A 30 21.564 20.491 -7.168 1.00 0.00 N ATOM 466 CA PRO A 30 22.217 20.661 -8.496 1.00 0.00 C ATOM 467 C PRO A 30 21.215 20.444 -9.651 1.00 0.00 C ATOM 468 O PRO A 30 20.492 19.444 -9.656 1.00 0.00 O ATOM 469 CB PRO A 30 23.310 19.590 -8.493 1.00 0.00 C ATOM 470 CG PRO A 30 23.661 19.397 -7.048 1.00 0.00 C ATOM 471 CD PRO A 30 22.381 19.670 -6.251 1.00 0.00 C ATOM 0 HA PRO A 30 22.610 21.666 -8.649 1.00 0.00 H new ATOM 0 HB2 PRO A 30 22.954 18.662 -8.940 1.00 0.00 H new ATOM 0 HB3 PRO A 30 24.177 19.910 -9.070 1.00 0.00 H new ATOM 0 HG2 PRO A 30 24.022 18.384 -6.868 1.00 0.00 H new ATOM 0 HG3 PRO A 30 24.458 20.077 -6.748 1.00 0.00 H new ATOM 0 HD2 PRO A 30 21.872 18.744 -5.982 1.00 0.00 H new ATOM 0 HD3 PRO A 30 22.593 20.199 -5.322 1.00 0.00 H new ATOM 479 N PRO A 31 21.137 21.351 -10.613 1.00 0.00 N ATOM 480 CA PRO A 31 20.182 21.217 -11.758 1.00 0.00 C ATOM 481 C PRO A 31 20.181 19.819 -12.378 1.00 0.00 C ATOM 482 O PRO A 31 19.133 19.190 -12.502 1.00 0.00 O ATOM 483 CB PRO A 31 20.703 22.242 -12.783 1.00 0.00 C ATOM 484 CG PRO A 31 21.415 23.283 -11.981 1.00 0.00 C ATOM 485 CD PRO A 31 21.925 22.596 -10.708 1.00 0.00 C ATOM 0 HA PRO A 31 19.154 21.385 -11.436 1.00 0.00 H new ATOM 0 HB2 PRO A 31 21.375 21.772 -13.501 1.00 0.00 H new ATOM 0 HB3 PRO A 31 19.883 22.679 -13.353 1.00 0.00 H new ATOM 0 HG2 PRO A 31 22.243 23.708 -12.548 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.744 24.105 -11.733 1.00 0.00 H new ATOM 0 HD2 PRO A 31 22.992 22.385 -10.772 1.00 0.00 H new ATOM 0 HD3 PRO A 31 21.777 23.226 -9.831 1.00 0.00 H new ATOM 493 N HIS A 32 21.358 19.348 -12.785 1.00 0.00 N ATOM 494 CA HIS A 32 21.464 18.033 -13.408 1.00 0.00 C ATOM 495 C HIS A 32 21.507 16.930 -12.363 1.00 0.00 C ATOM 496 O HIS A 32 21.366 15.747 -12.691 1.00 0.00 O ATOM 497 CB HIS A 32 22.733 17.966 -14.268 1.00 0.00 C ATOM 498 CG HIS A 32 22.677 16.754 -15.162 1.00 0.00 C ATOM 499 ND1 HIS A 32 22.987 15.481 -14.706 1.00 0.00 N ATOM 500 CD2 HIS A 32 22.355 16.605 -16.490 1.00 0.00 C ATOM 501 CE1 HIS A 32 22.849 14.630 -15.738 1.00 0.00 C ATOM 502 NE2 HIS A 32 22.463 15.263 -16.850 1.00 0.00 N ATOM 0 H HIS A 32 22.241 19.851 -12.696 1.00 0.00 H new ATOM 0 HA HIS A 32 20.583 17.884 -14.032 1.00 0.00 H new ATOM 0 HB2 HIS A 32 22.824 18.870 -14.870 1.00 0.00 H new ATOM 0 HB3 HIS A 32 23.615 17.918 -13.629 1.00 0.00 H new ATOM 0 HD1 HIS A 32 23.269 15.235 -13.757 1.00 0.00 H new ATOM 0 HD2 HIS A 32 22.063 17.406 -17.153 1.00 0.00 H new ATOM 0 HE1 HIS A 32 23.028 13.567 -15.676 1.00 0.00 H new ATOM 510 N ALA A 33 21.677 17.301 -11.097 1.00 0.00 N ATOM 511 CA ALA A 33 21.715 16.318 -10.011 1.00 0.00 C ATOM 512 C ALA A 33 21.035 16.894 -8.762 1.00 0.00 C ATOM 513 O ALA A 33 21.684 17.096 -7.733 1.00 0.00 O ATOM 514 CB ALA A 33 23.173 15.938 -9.709 1.00 0.00 C ATOM 0 H ALA A 33 21.790 18.269 -10.796 1.00 0.00 H new ATOM 0 HA ALA A 33 21.176 15.420 -10.314 1.00 0.00 H new ATOM 0 HB1 ALA A 33 23.199 15.207 -8.901 1.00 0.00 H new ATOM 0 HB2 ALA A 33 23.629 15.509 -10.601 1.00 0.00 H new ATOM 0 HB3 ALA A 33 23.727 16.828 -9.410 1.00 0.00 H new ATOM 520 N PRO A 34 19.759 17.176 -8.838 1.00 0.00 N ATOM 521 CA PRO A 34 18.999 17.766 -7.694 1.00 0.00 C ATOM 522 C PRO A 34 18.721 16.752 -6.589 1.00 0.00 C ATOM 523 O PRO A 34 18.683 15.546 -6.838 1.00 0.00 O ATOM 524 CB PRO A 34 17.700 18.275 -8.347 1.00 0.00 C ATOM 525 CG PRO A 34 17.498 17.414 -9.558 1.00 0.00 C ATOM 526 CD PRO A 34 18.894 16.944 -10.008 1.00 0.00 C ATOM 0 HA PRO A 34 19.558 18.555 -7.191 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.857 18.192 -7.661 1.00 0.00 H new ATOM 0 HB3 PRO A 34 17.785 19.326 -8.622 1.00 0.00 H new ATOM 0 HG2 PRO A 34 16.860 16.562 -9.324 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.004 17.974 -10.352 1.00 0.00 H new ATOM 0 HD2 PRO A 34 18.885 15.892 -10.292 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.241 17.506 -10.875 1.00 0.00 H new ATOM 534 N ARG A 35 18.519 17.247 -5.364 1.00 0.00 N ATOM 535 CA ARG A 35 18.233 16.371 -4.229 1.00 0.00 C ATOM 536 C ARG A 35 16.745 16.401 -3.925 1.00 0.00 C ATOM 537 O ARG A 35 16.093 17.434 -4.093 1.00 0.00 O ATOM 538 CB ARG A 35 19.009 16.835 -3.001 1.00 0.00 C ATOM 539 CG ARG A 35 20.497 16.578 -3.220 1.00 0.00 C ATOM 540 CD ARG A 35 21.281 17.079 -2.010 1.00 0.00 C ATOM 541 NE ARG A 35 22.703 16.817 -2.192 1.00 0.00 N ATOM 542 CZ ARG A 35 23.598 17.263 -1.320 1.00 0.00 C ATOM 543 NH1 ARG A 35 23.210 17.949 -0.283 1.00 0.00 N ATOM 544 NH2 ARG A 35 24.865 17.011 -1.503 1.00 0.00 N1+ ATOM 0 H ARG A 35 18.548 18.241 -5.136 1.00 0.00 H new ATOM 0 HA ARG A 35 18.536 15.355 -4.481 1.00 0.00 H new ATOM 0 HB2 ARG A 35 18.833 17.896 -2.825 1.00 0.00 H new ATOM 0 HB3 ARG A 35 18.663 16.303 -2.115 1.00 0.00 H new ATOM 0 HG2 ARG A 35 20.676 15.513 -3.367 1.00 0.00 H new ATOM 0 HG3 ARG A 35 20.836 17.086 -4.123 1.00 0.00 H new ATOM 0 HD2 ARG A 35 21.114 18.148 -1.876 1.00 0.00 H new ATOM 0 HD3 ARG A 35 20.925 16.585 -1.106 1.00 0.00 H new ATOM 0 HE ARG A 35 23.015 16.282 -3.003 1.00 0.00 H new ATOM 0 HH11 ARG A 35 22.219 18.143 -0.142 1.00 0.00 H new ATOM 0 HH12 ARG A 35 23.898 18.292 0.388 1.00 0.00 H new ATOM 0 HH21 ARG A 35 25.166 16.472 -2.315 1.00 0.00 H new ATOM 0 HH22 ARG A 35 25.555 17.353 -0.834 1.00 0.00 H new ATOM 558 N PHE A 36 16.183 15.264 -3.512 1.00 0.00 N ATOM 559 CA PHE A 36 14.749 15.210 -3.232 1.00 0.00 C ATOM 560 C PHE A 36 14.475 15.034 -1.768 1.00 0.00 C ATOM 561 O PHE A 36 14.659 13.957 -1.226 1.00 0.00 O ATOM 562 CB PHE A 36 14.170 13.993 -3.931 1.00 0.00 C ATOM 563 CG PHE A 36 14.319 14.164 -5.401 1.00 0.00 C ATOM 564 CD1 PHE A 36 13.312 14.790 -6.120 1.00 0.00 C ATOM 565 CD2 PHE A 36 15.462 13.690 -6.044 1.00 0.00 C ATOM 566 CE1 PHE A 36 13.436 14.947 -7.499 1.00 0.00 C ATOM 567 CE2 PHE A 36 15.593 13.845 -7.419 1.00 0.00 C ATOM 568 CZ PHE A 36 14.578 14.471 -8.155 1.00 0.00 C ATOM 0 H PHE A 36 16.685 14.388 -3.367 1.00 0.00 H new ATOM 0 HA PHE A 36 14.307 16.145 -3.576 1.00 0.00 H new ATOM 0 HB2 PHE A 36 14.684 13.090 -3.603 1.00 0.00 H new ATOM 0 HB3 PHE A 36 13.118 13.874 -3.670 1.00 0.00 H new ATOM 0 HD1 PHE A 36 12.432 15.156 -5.611 1.00 0.00 H new ATOM 0 HD2 PHE A 36 16.242 13.205 -5.476 1.00 0.00 H new ATOM 0 HE1 PHE A 36 12.653 15.435 -8.061 1.00 0.00 H new ATOM 0 HE2 PHE A 36 16.478 13.483 -7.921 1.00 0.00 H new ATOM 0 HZ PHE A 36 14.676 14.586 -9.224 1.00 0.00 H new ATOM 578 N ARG A 37 14.033 16.097 -1.131 1.00 0.00 N ATOM 579 CA ARG A 37 13.723 16.045 0.296 1.00 0.00 C ATOM 580 C ARG A 37 12.211 16.049 0.486 1.00 0.00 C ATOM 581 O ARG A 37 11.541 17.031 0.168 1.00 0.00 O ATOM 582 CB ARG A 37 14.337 17.245 1.011 1.00 0.00 C ATOM 583 CG ARG A 37 15.750 17.503 0.475 1.00 0.00 C ATOM 584 CD ARG A 37 16.456 18.542 1.353 1.00 0.00 C ATOM 585 NE ARG A 37 15.707 19.790 1.373 1.00 0.00 N ATOM 586 CZ ARG A 37 16.084 20.808 2.142 1.00 0.00 C ATOM 587 NH1 ARG A 37 17.146 20.696 2.896 1.00 0.00 N ATOM 588 NH2 ARG A 37 15.396 21.915 2.144 1.00 0.00 N1+ ATOM 0 H ARG A 37 13.878 17.006 -1.568 1.00 0.00 H new ATOM 0 HA ARG A 37 14.141 15.132 0.720 1.00 0.00 H new ATOM 0 HB2 ARG A 37 13.715 18.127 0.860 1.00 0.00 H new ATOM 0 HB3 ARG A 37 14.374 17.060 2.085 1.00 0.00 H new ATOM 0 HG2 ARG A 37 16.320 16.574 0.465 1.00 0.00 H new ATOM 0 HG3 ARG A 37 15.699 17.857 -0.555 1.00 0.00 H new ATOM 0 HD2 ARG A 37 16.560 18.158 2.368 1.00 0.00 H new ATOM 0 HD3 ARG A 37 17.463 18.722 0.975 1.00 0.00 H new ATOM 0 HE ARG A 37 14.878 19.886 0.787 1.00 0.00 H new ATOM 0 HH11 ARG A 37 17.684 19.829 2.894 1.00 0.00 H new ATOM 0 HH12 ARG A 37 17.437 21.475 3.486 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.567 22.002 1.555 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.686 22.695 2.734 1.00 0.00 H new ATOM 602 N CYS A 38 11.672 14.939 0.983 1.00 0.00 N ATOM 603 CA CYS A 38 10.231 14.824 1.190 1.00 0.00 C ATOM 604 C CYS A 38 9.910 14.591 2.653 1.00 0.00 C ATOM 605 O CYS A 38 10.699 14.008 3.394 1.00 0.00 O ATOM 606 CB CYS A 38 9.669 13.664 0.365 1.00 0.00 C ATOM 607 SG CYS A 38 7.865 13.631 0.533 1.00 0.00 S ATOM 0 H CYS A 38 12.207 14.112 1.248 1.00 0.00 H new ATOM 0 HA CYS A 38 9.773 15.760 0.871 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.946 13.780 -0.683 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.095 12.720 0.705 1.00 0.00 H new ATOM 0 HG CYS A 38 7.470 14.688 1.178 1.00 0.00 H new ATOM 613 N ASN A 39 8.734 15.053 3.053 1.00 0.00 N ATOM 614 CA ASN A 39 8.270 14.898 4.437 1.00 0.00 C ATOM 615 C ASN A 39 6.941 14.152 4.470 1.00 0.00 C ATOM 616 O ASN A 39 6.226 14.091 3.468 1.00 0.00 O ATOM 617 CB ASN A 39 8.105 16.262 5.099 1.00 0.00 C ATOM 618 CG ASN A 39 9.472 16.889 5.339 1.00 0.00 C ATOM 619 OD1 ASN A 39 10.489 16.202 5.243 1.00 0.00 O ATOM 620 ND2 ASN A 39 9.560 18.151 5.650 1.00 0.00 N ATOM 0 H ASN A 39 8.078 15.540 2.443 1.00 0.00 H new ATOM 0 HA ASN A 39 9.017 14.324 4.985 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.502 16.913 4.466 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.573 16.155 6.044 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.474 18.573 5.815 1.00 0.00 H new ATOM 0 HD22 ASN A 39 8.715 18.717 5.729 1.00 0.00 H new ATOM 627 N VAL A 40 6.614 13.583 5.629 1.00 0.00 N ATOM 628 CA VAL A 40 5.360 12.839 5.797 1.00 0.00 C ATOM 629 C VAL A 40 4.559 13.419 6.954 1.00 0.00 C ATOM 630 O VAL A 40 5.065 13.557 8.064 1.00 0.00 O ATOM 631 CB VAL A 40 5.665 11.358 6.065 1.00 0.00 C ATOM 632 CG1 VAL A 40 6.727 11.240 7.162 1.00 0.00 C ATOM 633 CG2 VAL A 40 4.393 10.630 6.521 1.00 0.00 C ATOM 0 H VAL A 40 7.196 13.621 6.466 1.00 0.00 H new ATOM 0 HA VAL A 40 4.773 12.924 4.883 1.00 0.00 H new ATOM 0 HB VAL A 40 6.031 10.905 5.144 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.941 10.188 7.350 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.639 11.744 6.842 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.358 11.704 8.077 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.622 9.581 6.708 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.020 11.089 7.436 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.633 10.703 5.743 1.00 0.00 H new ATOM 643 N THR A 41 3.298 13.744 6.684 1.00 0.00 N ATOM 644 CA THR A 41 2.410 14.304 7.705 1.00 0.00 C ATOM 645 C THR A 41 1.407 13.250 8.161 1.00 0.00 C ATOM 646 O THR A 41 0.661 12.699 7.351 1.00 0.00 O ATOM 647 CB THR A 41 1.651 15.503 7.134 1.00 0.00 C ATOM 648 OG1 THR A 41 2.576 16.511 6.752 1.00 0.00 O ATOM 649 CG2 THR A 41 0.699 16.056 8.197 1.00 0.00 C ATOM 0 H THR A 41 2.865 13.630 5.767 1.00 0.00 H new ATOM 0 HA THR A 41 3.013 14.623 8.555 1.00 0.00 H new ATOM 0 HB THR A 41 1.077 15.190 6.262 1.00 0.00 H new ATOM 0 HG1 THR A 41 2.090 17.279 6.385 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.157 16.911 7.791 1.00 0.00 H new ATOM 0 HG22 THR A 41 -0.011 15.282 8.488 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.271 16.370 9.070 1.00 0.00 H new ATOM 657 N PHE A 42 1.391 12.971 9.463 1.00 0.00 N ATOM 658 CA PHE A 42 0.469 11.980 10.015 1.00 0.00 C ATOM 659 C PHE A 42 0.017 12.408 11.410 1.00 0.00 C ATOM 660 O PHE A 42 0.826 12.843 12.223 1.00 0.00 O ATOM 661 CB PHE A 42 1.167 10.604 10.088 1.00 0.00 C ATOM 662 CG PHE A 42 0.139 9.502 9.984 1.00 0.00 C ATOM 663 CD1 PHE A 42 -0.612 9.399 8.818 1.00 0.00 C ATOM 664 CD2 PHE A 42 -0.070 8.597 11.035 1.00 0.00 C ATOM 665 CE1 PHE A 42 -1.578 8.405 8.681 1.00 0.00 C ATOM 666 CE2 PHE A 42 -1.040 7.590 10.899 1.00 0.00 C ATOM 667 CZ PHE A 42 -1.792 7.498 9.723 1.00 0.00 C ATOM 0 H PHE A 42 2.001 13.413 10.151 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.405 11.905 9.368 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.895 10.512 9.282 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.716 10.514 11.025 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -0.445 10.097 8.011 1.00 0.00 H new ATOM 0 HD2 PHE A 42 0.511 8.674 11.942 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.159 8.335 7.773 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -1.205 6.887 11.702 1.00 0.00 H new ATOM 0 HZ PHE A 42 -2.539 6.725 9.620 1.00 0.00 H new ATOM 677 N CYS A 43 -1.277 12.279 11.690 1.00 0.00 N ATOM 678 CA CYS A 43 -1.806 12.656 12.996 1.00 0.00 C ATOM 679 C CYS A 43 -1.195 13.972 13.477 1.00 0.00 C ATOM 680 O CYS A 43 -1.028 14.184 14.680 1.00 0.00 O ATOM 681 CB CYS A 43 -1.511 11.553 14.015 1.00 0.00 C ATOM 682 SG CYS A 43 -1.846 9.938 13.269 1.00 0.00 S ATOM 0 H CYS A 43 -1.973 11.920 11.036 1.00 0.00 H new ATOM 0 HA CYS A 43 -2.884 12.789 12.900 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -0.471 11.609 14.336 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.127 11.690 14.904 1.00 0.00 H new ATOM 0 HG CYS A 43 -0.899 9.643 12.428 1.00 0.00 H new ATOM 688 N GLY A 44 -0.870 14.859 12.538 1.00 0.00 N ATOM 689 CA GLY A 44 -0.285 16.151 12.893 1.00 0.00 C ATOM 690 C GLY A 44 1.196 16.023 13.237 1.00 0.00 C ATOM 691 O GLY A 44 1.738 16.838 13.986 1.00 0.00 O ATOM 0 H GLY A 44 -1.000 14.710 11.537 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.407 16.847 12.063 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.821 16.572 13.743 1.00 0.00 H new ATOM 695 N GLN A 45 1.851 14.998 12.687 1.00 0.00 N ATOM 696 CA GLN A 45 3.276 14.768 12.942 1.00 0.00 C ATOM 697 C GLN A 45 4.067 14.804 11.640 1.00 0.00 C ATOM 698 O GLN A 45 3.767 14.066 10.701 1.00 0.00 O ATOM 699 CB GLN A 45 3.468 13.407 13.609 1.00 0.00 C ATOM 700 CG GLN A 45 2.816 13.429 14.989 1.00 0.00 C ATOM 701 CD GLN A 45 2.936 12.061 15.649 1.00 0.00 C ATOM 702 OE1 GLN A 45 2.399 11.075 15.142 1.00 0.00 O ATOM 703 NE2 GLN A 45 3.613 11.942 16.756 1.00 0.00 N ATOM 0 H GLN A 45 1.419 14.316 12.064 1.00 0.00 H new ATOM 0 HA GLN A 45 3.640 15.557 13.600 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.024 12.622 12.996 1.00 0.00 H new ATOM 0 HB3 GLN A 45 4.530 13.179 13.699 1.00 0.00 H new ATOM 0 HG2 GLN A 45 3.293 14.185 15.613 1.00 0.00 H new ATOM 0 HG3 GLN A 45 1.766 13.707 14.899 1.00 0.00 H new ATOM 0 HE21 GLN A 45 4.056 12.760 17.173 1.00 0.00 H new ATOM 0 HE22 GLN A 45 3.700 11.030 17.205 1.00 0.00 H new ATOM 712 N THR A 46 5.084 15.667 11.587 1.00 0.00 N ATOM 713 CA THR A 46 5.916 15.792 10.391 1.00 0.00 C ATOM 714 C THR A 46 7.314 15.252 10.641 1.00 0.00 C ATOM 715 O THR A 46 8.166 15.926 11.220 1.00 0.00 O ATOM 716 CB THR A 46 6.008 17.262 9.971 1.00 0.00 C ATOM 717 OG1 THR A 46 6.663 18.001 10.993 1.00 0.00 O ATOM 718 CG2 THR A 46 4.604 17.828 9.751 1.00 0.00 C ATOM 0 H THR A 46 5.349 16.285 12.354 1.00 0.00 H new ATOM 0 HA THR A 46 5.454 15.209 9.595 1.00 0.00 H new ATOM 0 HB THR A 46 6.573 17.338 9.042 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.449 17.505 11.303 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.676 18.874 9.452 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.102 17.261 8.967 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.032 17.753 10.676 1.00 0.00 H new ATOM 726 N PHE A 47 7.541 14.020 10.192 1.00 0.00 N ATOM 727 CA PHE A 47 8.836 13.365 10.356 1.00 0.00 C ATOM 728 C PHE A 47 9.636 13.449 9.062 1.00 0.00 C ATOM 729 O PHE A 47 9.088 13.318 7.961 1.00 0.00 O ATOM 730 CB PHE A 47 8.632 11.890 10.758 1.00 0.00 C ATOM 731 CG PHE A 47 8.428 11.784 12.260 1.00 0.00 C ATOM 732 CD1 PHE A 47 7.471 12.584 12.902 1.00 0.00 C ATOM 733 CD2 PHE A 47 9.211 10.892 13.011 1.00 0.00 C ATOM 734 CE1 PHE A 47 7.298 12.485 14.292 1.00 0.00 C ATOM 735 CE2 PHE A 47 9.034 10.797 14.397 1.00 0.00 C ATOM 736 CZ PHE A 47 8.079 11.594 15.037 1.00 0.00 C ATOM 0 H PHE A 47 6.843 13.454 9.710 1.00 0.00 H new ATOM 0 HA PHE A 47 9.391 13.874 11.144 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.769 11.478 10.236 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.498 11.300 10.458 1.00 0.00 H new ATOM 0 HD1 PHE A 47 6.869 13.274 12.329 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.951 10.278 12.519 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.560 13.098 14.788 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.635 10.108 14.972 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.944 11.522 16.106 1.00 0.00 H new ATOM 746 N GLN A 48 10.939 13.678 9.210 1.00 0.00 N ATOM 747 CA GLN A 48 11.834 13.788 8.065 1.00 0.00 C ATOM 748 C GLN A 48 13.204 13.222 8.414 1.00 0.00 C ATOM 749 O GLN A 48 13.643 13.286 9.562 1.00 0.00 O ATOM 750 CB GLN A 48 11.976 15.254 7.655 1.00 0.00 C ATOM 751 CG GLN A 48 12.813 15.345 6.377 1.00 0.00 C ATOM 752 CD GLN A 48 12.939 16.799 5.934 1.00 0.00 C ATOM 753 OE1 GLN A 48 13.184 17.682 6.755 1.00 0.00 O ATOM 754 NE2 GLN A 48 12.783 17.099 4.674 1.00 0.00 N ATOM 0 H GLN A 48 11.397 13.791 10.114 1.00 0.00 H new ATOM 0 HA GLN A 48 11.414 13.219 7.235 1.00 0.00 H new ATOM 0 HB2 GLN A 48 10.992 15.694 7.491 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.450 15.823 8.455 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.803 14.923 6.551 1.00 0.00 H new ATOM 0 HG3 GLN A 48 12.349 14.755 5.587 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.580 16.364 3.996 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.864 18.068 4.367 1.00 0.00 H new ATOM 763 N SER A 49 13.876 12.672 7.408 1.00 0.00 N ATOM 764 CA SER A 49 15.204 12.097 7.603 1.00 0.00 C ATOM 765 C SER A 49 16.276 13.167 7.432 1.00 0.00 C ATOM 766 O SER A 49 16.027 14.223 6.850 1.00 0.00 O ATOM 767 CB SER A 49 15.436 10.980 6.590 1.00 0.00 C ATOM 768 OG SER A 49 16.745 10.452 6.761 1.00 0.00 O ATOM 0 H SER A 49 13.525 12.612 6.452 1.00 0.00 H new ATOM 0 HA SER A 49 15.264 11.693 8.614 1.00 0.00 H new ATOM 0 HB2 SER A 49 14.694 10.193 6.724 1.00 0.00 H new ATOM 0 HB3 SER A 49 15.316 11.362 5.576 1.00 0.00 H new ATOM 0 HG SER A 49 16.895 9.733 6.112 1.00 0.00 H new ATOM 774 N SER A 50 17.473 12.885 7.941 1.00 0.00 N ATOM 775 CA SER A 50 18.586 13.828 7.839 1.00 0.00 C ATOM 776 C SER A 50 19.401 13.553 6.582 1.00 0.00 C ATOM 777 O SER A 50 20.365 14.261 6.287 1.00 0.00 O ATOM 778 CB SER A 50 19.483 13.707 9.069 1.00 0.00 C ATOM 779 OG SER A 50 20.175 12.467 9.026 1.00 0.00 O ATOM 0 H SER A 50 17.697 12.016 8.426 1.00 0.00 H new ATOM 0 HA SER A 50 18.182 14.839 7.783 1.00 0.00 H new ATOM 0 HB2 SER A 50 20.194 14.533 9.097 1.00 0.00 H new ATOM 0 HB3 SER A 50 18.884 13.771 9.978 1.00 0.00 H new ATOM 0 HG SER A 50 20.753 12.387 9.813 1.00 0.00 H new ATOM 785 N GLU A 51 19.017 12.511 5.844 1.00 0.00 N ATOM 786 CA GLU A 51 19.725 12.137 4.615 1.00 0.00 C ATOM 787 C GLU A 51 18.845 12.378 3.398 1.00 0.00 C ATOM 788 O GLU A 51 17.667 12.026 3.385 1.00 0.00 O ATOM 789 CB GLU A 51 20.127 10.661 4.666 1.00 0.00 C ATOM 790 CG GLU A 51 20.959 10.314 3.426 1.00 0.00 C ATOM 791 CD GLU A 51 21.418 8.860 3.499 1.00 0.00 C ATOM 792 OE1 GLU A 51 20.915 8.143 4.349 1.00 0.00 O ATOM 793 OE2 GLU A 51 22.262 8.484 2.702 1.00 0.00 O1- ATOM 0 H GLU A 51 18.224 11.912 6.073 1.00 0.00 H new ATOM 0 HA GLU A 51 20.620 12.754 4.535 1.00 0.00 H new ATOM 0 HB2 GLU A 51 20.702 10.461 5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.238 10.032 4.708 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.368 10.473 2.524 1.00 0.00 H new ATOM 0 HG3 GLU A 51 21.824 10.975 3.361 1.00 0.00 H new ATOM 800 N PHE A 52 19.434 12.995 2.380 1.00 0.00 N ATOM 801 CA PHE A 52 18.705 13.304 1.147 1.00 0.00 C ATOM 802 C PHE A 52 18.870 12.163 0.156 1.00 0.00 C ATOM 803 O PHE A 52 19.919 11.534 0.075 1.00 0.00 O ATOM 804 CB PHE A 52 19.223 14.604 0.504 1.00 0.00 C ATOM 805 CG PHE A 52 19.965 15.391 1.528 1.00 0.00 C ATOM 806 CD1 PHE A 52 21.231 14.966 1.876 1.00 0.00 C ATOM 807 CD2 PHE A 52 19.401 16.516 2.117 1.00 0.00 C ATOM 808 CE1 PHE A 52 21.969 15.667 2.830 1.00 0.00 C ATOM 809 CE2 PHE A 52 20.129 17.233 3.077 1.00 0.00 C ATOM 810 CZ PHE A 52 21.417 16.803 3.432 1.00 0.00 C ATOM 0 H PHE A 52 20.410 13.292 2.380 1.00 0.00 H new ATOM 0 HA PHE A 52 17.653 13.435 1.401 1.00 0.00 H new ATOM 0 HB2 PHE A 52 19.875 14.373 -0.338 1.00 0.00 H new ATOM 0 HB3 PHE A 52 18.390 15.188 0.112 1.00 0.00 H new ATOM 0 HD1 PHE A 52 21.652 14.088 1.408 1.00 0.00 H new ATOM 0 HD2 PHE A 52 18.408 16.836 1.837 1.00 0.00 H new ATOM 0 HE1 PHE A 52 22.960 15.335 3.102 1.00 0.00 H new ATOM 0 HE2 PHE A 52 19.702 18.110 3.540 1.00 0.00 H new ATOM 0 HZ PHE A 52 21.983 17.350 4.171 1.00 0.00 H new ATOM 820 N PHE A 53 17.821 11.918 -0.591 1.00 0.00 N ATOM 821 CA PHE A 53 17.811 10.844 -1.595 1.00 0.00 C ATOM 822 C PHE A 53 17.890 11.421 -3.020 1.00 0.00 C ATOM 823 O PHE A 53 17.400 12.523 -3.268 1.00 0.00 O ATOM 824 CB PHE A 53 16.528 9.999 -1.454 1.00 0.00 C ATOM 825 CG PHE A 53 16.002 10.135 -0.052 1.00 0.00 C ATOM 826 CD1 PHE A 53 15.146 11.190 0.269 1.00 0.00 C ATOM 827 CD2 PHE A 53 16.386 9.227 0.927 1.00 0.00 C ATOM 828 CE1 PHE A 53 14.670 11.335 1.573 1.00 0.00 C ATOM 829 CE2 PHE A 53 15.911 9.367 2.229 1.00 0.00 C ATOM 830 CZ PHE A 53 15.052 10.420 2.556 1.00 0.00 C ATOM 0 H PHE A 53 16.949 12.444 -0.533 1.00 0.00 H new ATOM 0 HA PHE A 53 18.684 10.215 -1.424 1.00 0.00 H new ATOM 0 HB2 PHE A 53 15.778 10.332 -2.171 1.00 0.00 H new ATOM 0 HB3 PHE A 53 16.740 8.953 -1.676 1.00 0.00 H new ATOM 0 HD1 PHE A 53 14.851 11.896 -0.494 1.00 0.00 H new ATOM 0 HD2 PHE A 53 17.052 8.414 0.679 1.00 0.00 H new ATOM 0 HE1 PHE A 53 14.009 12.152 1.821 1.00 0.00 H new ATOM 0 HE2 PHE A 53 16.208 8.659 2.989 1.00 0.00 H new ATOM 0 HZ PHE A 53 14.685 10.526 3.566 1.00 0.00 H new ATOM 840 N PRO A 54 18.478 10.700 -3.955 1.00 0.00 N ATOM 841 CA PRO A 54 18.601 11.150 -5.378 1.00 0.00 C ATOM 842 C PRO A 54 17.315 10.919 -6.185 1.00 0.00 C ATOM 843 O PRO A 54 17.245 11.271 -7.364 1.00 0.00 O ATOM 844 CB PRO A 54 19.752 10.292 -5.916 1.00 0.00 C ATOM 845 CG PRO A 54 19.659 9.007 -5.151 1.00 0.00 C ATOM 846 CD PRO A 54 19.103 9.369 -3.766 1.00 0.00 C ATOM 0 HA PRO A 54 18.780 12.222 -5.456 1.00 0.00 H new ATOM 0 HB2 PRO A 54 19.652 10.123 -6.988 1.00 0.00 H new ATOM 0 HB3 PRO A 54 20.715 10.778 -5.759 1.00 0.00 H new ATOM 0 HG2 PRO A 54 19.005 8.298 -5.659 1.00 0.00 H new ATOM 0 HG3 PRO A 54 20.637 8.534 -5.066 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.375 8.633 -3.426 1.00 0.00 H new ATOM 0 HD3 PRO A 54 19.894 9.404 -3.017 1.00 0.00 H new ATOM 854 N THR A 55 16.311 10.308 -5.551 1.00 0.00 N ATOM 855 CA THR A 55 15.034 10.015 -6.224 1.00 0.00 C ATOM 856 C THR A 55 13.848 10.541 -5.419 1.00 0.00 C ATOM 857 O THR A 55 13.884 10.599 -4.192 1.00 0.00 O ATOM 858 CB THR A 55 14.910 8.489 -6.416 1.00 0.00 C ATOM 859 OG1 THR A 55 15.587 7.834 -5.356 1.00 0.00 O ATOM 860 CG2 THR A 55 15.528 8.058 -7.747 1.00 0.00 C ATOM 0 H THR A 55 16.353 10.006 -4.578 1.00 0.00 H new ATOM 0 HA THR A 55 15.023 10.517 -7.192 1.00 0.00 H new ATOM 0 HB THR A 55 13.854 8.220 -6.418 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.190 7.155 -5.723 1.00 0.00 H new ATOM 0 HG21 THR A 55 15.429 6.979 -7.861 1.00 0.00 H new ATOM 0 HG22 THR A 55 15.012 8.558 -8.567 1.00 0.00 H new ATOM 0 HG23 THR A 55 16.584 8.330 -7.763 1.00 0.00 H new ATOM 868 N LEU A 56 12.801 10.945 -6.141 1.00 0.00 N ATOM 869 CA LEU A 56 11.612 11.491 -5.500 1.00 0.00 C ATOM 870 C LEU A 56 10.891 10.444 -4.652 1.00 0.00 C ATOM 871 O LEU A 56 10.739 10.617 -3.435 1.00 0.00 O ATOM 872 CB LEU A 56 10.658 12.030 -6.575 1.00 0.00 C ATOM 873 CG LEU A 56 9.806 13.153 -5.982 1.00 0.00 C ATOM 874 CD1 LEU A 56 8.906 13.708 -7.066 1.00 0.00 C ATOM 875 CD2 LEU A 56 8.961 12.619 -4.821 1.00 0.00 C ATOM 0 H LEU A 56 12.755 10.904 -7.159 1.00 0.00 H new ATOM 0 HA LEU A 56 11.927 12.296 -4.835 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.226 12.401 -7.428 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.018 11.229 -6.943 1.00 0.00 H new ATOM 0 HG LEU A 56 10.454 13.942 -5.601 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.293 14.510 -6.655 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.516 14.099 -7.881 1.00 0.00 H new ATOM 0 HD13 LEU A 56 8.260 12.915 -7.444 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.359 13.428 -4.407 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.305 11.827 -5.182 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.617 12.222 -4.046 1.00 0.00 H new ATOM 887 N LYS A 57 10.421 9.366 -5.282 1.00 0.00 N ATOM 888 CA LYS A 57 9.693 8.330 -4.563 1.00 0.00 C ATOM 889 C LYS A 57 10.518 7.776 -3.413 1.00 0.00 C ATOM 890 O LYS A 57 9.982 7.447 -2.353 1.00 0.00 O ATOM 891 CB LYS A 57 9.341 7.192 -5.531 1.00 0.00 C ATOM 892 CG LYS A 57 8.316 7.680 -6.561 1.00 0.00 C ATOM 893 CD LYS A 57 7.980 6.536 -7.521 1.00 0.00 C ATOM 894 CE LYS A 57 6.907 6.990 -8.515 1.00 0.00 C ATOM 895 NZ LYS A 57 7.441 8.096 -9.357 1.00 0.00 N1+ ATOM 0 H LYS A 57 10.532 9.192 -6.281 1.00 0.00 H new ATOM 0 HA LYS A 57 8.785 8.771 -4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.241 6.843 -6.038 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.938 6.344 -4.978 1.00 0.00 H new ATOM 0 HG2 LYS A 57 7.413 8.025 -6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.716 8.529 -7.115 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.876 6.224 -8.057 1.00 0.00 H new ATOM 0 HD3 LYS A 57 7.626 5.671 -6.960 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.604 6.154 -9.145 1.00 0.00 H new ATOM 0 HE3 LYS A 57 6.019 7.324 -7.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.825 8.232 -10.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.471 8.973 -8.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.401 7.856 -9.677 1.00 0.00 H new ATOM 909 N SER A 58 11.814 7.681 -3.623 1.00 0.00 N ATOM 910 CA SER A 58 12.700 7.170 -2.588 1.00 0.00 C ATOM 911 C SER A 58 12.523 7.982 -1.312 1.00 0.00 C ATOM 912 O SER A 58 12.646 7.458 -0.205 1.00 0.00 O ATOM 913 CB SER A 58 14.147 7.256 -3.054 1.00 0.00 C ATOM 914 OG SER A 58 14.358 6.301 -4.085 1.00 0.00 O ATOM 0 H SER A 58 12.278 7.947 -4.491 1.00 0.00 H new ATOM 0 HA SER A 58 12.451 6.128 -2.389 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.366 8.259 -3.419 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.823 7.066 -2.220 1.00 0.00 H new ATOM 0 HG SER A 58 14.802 6.732 -4.845 1.00 0.00 H new ATOM 920 N ALA A 59 12.238 9.270 -1.478 1.00 0.00 N ATOM 921 CA ALA A 59 12.046 10.152 -0.336 1.00 0.00 C ATOM 922 C ALA A 59 10.739 9.851 0.385 1.00 0.00 C ATOM 923 O ALA A 59 10.684 9.854 1.615 1.00 0.00 O ATOM 924 CB ALA A 59 12.060 11.612 -0.792 1.00 0.00 C ATOM 0 H ALA A 59 12.136 9.722 -2.387 1.00 0.00 H new ATOM 0 HA ALA A 59 12.866 9.979 0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.916 12.264 0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 59 13.018 11.838 -1.261 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.257 11.777 -1.510 1.00 0.00 H new ATOM 930 N GLU A 60 9.686 9.602 -0.384 1.00 0.00 N ATOM 931 CA GLU A 60 8.385 9.314 0.208 1.00 0.00 C ATOM 932 C GLU A 60 8.421 8.007 0.992 1.00 0.00 C ATOM 933 O GLU A 60 7.851 7.909 2.078 1.00 0.00 O ATOM 934 CB GLU A 60 7.329 9.221 -0.895 1.00 0.00 C ATOM 935 CG GLU A 60 7.135 10.600 -1.529 1.00 0.00 C ATOM 936 CD GLU A 60 6.143 10.504 -2.682 1.00 0.00 C ATOM 937 OE1 GLU A 60 5.685 9.406 -2.953 1.00 0.00 O ATOM 938 OE2 GLU A 60 5.853 11.530 -3.276 1.00 0.00 O1- ATOM 0 H GLU A 60 9.705 9.593 -1.404 1.00 0.00 H new ATOM 0 HA GLU A 60 8.132 10.122 0.895 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.640 8.501 -1.652 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.386 8.862 -0.482 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.771 11.306 -0.782 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.090 10.982 -1.890 1.00 0.00 H new ATOM 945 N HIS A 61 9.083 7.002 0.429 1.00 0.00 N ATOM 946 CA HIS A 61 9.176 5.701 1.083 1.00 0.00 C ATOM 947 C HIS A 61 9.993 5.791 2.369 1.00 0.00 C ATOM 948 O HIS A 61 9.600 5.256 3.405 1.00 0.00 O ATOM 949 CB HIS A 61 9.828 4.695 0.134 1.00 0.00 C ATOM 950 CG HIS A 61 8.988 4.564 -1.106 1.00 0.00 C ATOM 951 ND1 HIS A 61 7.647 4.214 -1.061 1.00 0.00 N ATOM 952 CD2 HIS A 61 9.288 4.729 -2.436 1.00 0.00 C ATOM 953 CE1 HIS A 61 7.195 4.181 -2.329 1.00 0.00 C ATOM 954 NE2 HIS A 61 8.155 4.486 -3.206 1.00 0.00 N ATOM 0 H HIS A 61 9.559 7.061 -0.471 1.00 0.00 H new ATOM 0 HA HIS A 61 8.168 5.373 1.337 1.00 0.00 H new ATOM 0 HB2 HIS A 61 10.834 5.024 -0.127 1.00 0.00 H new ATOM 0 HB3 HIS A 61 9.927 3.726 0.624 1.00 0.00 H new ATOM 0 HD1 HIS A 61 7.103 4.018 -0.221 1.00 0.00 H new ATOM 0 HD2 HIS A 61 10.257 5.006 -2.825 1.00 0.00 H new ATOM 0 HE1 HIS A 61 6.179 3.937 -2.604 1.00 0.00 H new ATOM 962 N ALA A 62 11.134 6.472 2.295 1.00 0.00 N ATOM 963 CA ALA A 62 12.006 6.626 3.456 1.00 0.00 C ATOM 964 C ALA A 62 11.316 7.444 4.543 1.00 0.00 C ATOM 965 O ALA A 62 11.482 7.181 5.738 1.00 0.00 O ATOM 966 CB ALA A 62 13.309 7.312 3.042 1.00 0.00 C ATOM 0 H ALA A 62 11.475 6.924 1.447 1.00 0.00 H new ATOM 0 HA ALA A 62 12.229 5.636 3.854 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.954 7.423 3.913 1.00 0.00 H new ATOM 0 HB2 ALA A 62 13.816 6.707 2.290 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.087 8.295 2.627 1.00 0.00 H new ATOM 972 N ALA A 63 10.540 8.440 4.124 1.00 0.00 N ATOM 973 CA ALA A 63 9.833 9.291 5.068 1.00 0.00 C ATOM 974 C ALA A 63 8.903 8.453 5.937 1.00 0.00 C ATOM 975 O ALA A 63 8.795 8.674 7.141 1.00 0.00 O ATOM 976 CB ALA A 63 9.022 10.345 4.311 1.00 0.00 C ATOM 0 H ALA A 63 10.387 8.674 3.143 1.00 0.00 H new ATOM 0 HA ALA A 63 10.562 9.789 5.707 1.00 0.00 H new ATOM 0 HB1 ALA A 63 8.495 10.979 5.024 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.693 10.957 3.708 1.00 0.00 H new ATOM 0 HB3 ALA A 63 8.300 9.851 3.661 1.00 0.00 H new ATOM 982 N ALA A 64 8.237 7.486 5.322 1.00 0.00 N ATOM 983 CA ALA A 64 7.325 6.620 6.057 1.00 0.00 C ATOM 984 C ALA A 64 8.095 5.713 7.024 1.00 0.00 C ATOM 985 O ALA A 64 7.599 5.386 8.091 1.00 0.00 O ATOM 986 CB ALA A 64 6.487 5.786 5.086 1.00 0.00 C ATOM 0 H ALA A 64 8.309 7.282 4.325 1.00 0.00 H new ATOM 0 HA ALA A 64 6.654 7.247 6.645 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.810 5.143 5.649 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.908 6.449 4.443 1.00 0.00 H new ATOM 0 HB3 ALA A 64 7.145 5.171 4.473 1.00 0.00 H new ATOM 992 N LYS A 65 9.301 5.304 6.635 1.00 0.00 N ATOM 993 CA LYS A 65 10.122 4.430 7.477 1.00 0.00 C ATOM 994 C LYS A 65 10.328 5.034 8.861 1.00 0.00 C ATOM 995 O LYS A 65 10.185 4.348 9.873 1.00 0.00 O ATOM 996 CB LYS A 65 11.480 4.215 6.809 1.00 0.00 C ATOM 997 CG LYS A 65 12.285 3.191 7.606 1.00 0.00 C ATOM 998 CD LYS A 65 13.616 2.938 6.899 1.00 0.00 C ATOM 999 CE LYS A 65 14.415 1.904 7.688 1.00 0.00 C ATOM 1000 NZ LYS A 65 13.674 0.609 7.693 1.00 0.00 N1+ ATOM 0 H LYS A 65 9.732 5.561 5.747 1.00 0.00 H new ATOM 0 HA LYS A 65 9.604 3.478 7.593 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.342 3.867 5.785 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.024 5.158 6.755 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.461 3.556 8.618 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.725 2.260 7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.440 2.582 5.884 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.181 3.867 6.818 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.400 1.771 7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.572 2.251 8.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.334 -0.168 7.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.932 0.636 8.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.239 0.454 6.761 1.00 0.00 H new ATOM 1014 N ILE A 66 10.674 6.309 8.915 1.00 0.00 N ATOM 1015 CA ILE A 66 10.888 6.966 10.190 1.00 0.00 C ATOM 1016 C ILE A 66 9.568 7.194 10.930 1.00 0.00 C ATOM 1017 O ILE A 66 9.506 7.064 12.153 1.00 0.00 O ATOM 1018 CB ILE A 66 11.614 8.295 9.972 1.00 0.00 C ATOM 1019 CG1 ILE A 66 10.888 9.112 8.898 1.00 0.00 C ATOM 1020 CG2 ILE A 66 13.050 8.024 9.523 1.00 0.00 C ATOM 1021 CD1 ILE A 66 11.528 10.496 8.781 1.00 0.00 C ATOM 0 H ILE A 66 10.811 6.904 8.098 1.00 0.00 H new ATOM 0 HA ILE A 66 11.505 6.316 10.810 1.00 0.00 H new ATOM 0 HB ILE A 66 11.624 8.857 10.906 1.00 0.00 H new ATOM 0 HG12 ILE A 66 10.938 8.596 7.939 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.833 9.209 9.153 1.00 0.00 H new ATOM 0 HG21 ILE A 66 13.567 8.971 9.368 1.00 0.00 H new ATOM 0 HG22 ILE A 66 13.569 7.449 10.290 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.039 7.459 8.591 1.00 0.00 H new ATOM 0 HD11 ILE A 66 11.009 11.074 8.016 1.00 0.00 H new ATOM 0 HD12 ILE A 66 11.455 11.013 9.738 1.00 0.00 H new ATOM 0 HD13 ILE A 66 12.577 10.390 8.505 1.00 0.00 H new ATOM 1033 N ALA A 67 8.521 7.547 10.182 1.00 0.00 N ATOM 1034 CA ALA A 67 7.210 7.810 10.774 1.00 0.00 C ATOM 1035 C ALA A 67 6.566 6.541 11.330 1.00 0.00 C ATOM 1036 O ALA A 67 6.084 6.527 12.464 1.00 0.00 O ATOM 1037 CB ALA A 67 6.287 8.414 9.717 1.00 0.00 C ATOM 0 H ALA A 67 8.556 7.657 9.169 1.00 0.00 H new ATOM 0 HA ALA A 67 7.356 8.504 11.601 1.00 0.00 H new ATOM 0 HB1 ALA A 67 5.309 8.610 10.157 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.715 9.348 9.351 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.178 7.715 8.887 1.00 0.00 H new ATOM 1043 N VAL A 68 6.544 5.486 10.522 1.00 0.00 N ATOM 1044 CA VAL A 68 5.939 4.229 10.940 1.00 0.00 C ATOM 1045 C VAL A 68 6.677 3.671 12.146 1.00 0.00 C ATOM 1046 O VAL A 68 6.085 3.007 12.998 1.00 0.00 O ATOM 1047 CB VAL A 68 5.967 3.218 9.788 1.00 0.00 C ATOM 1048 CG1 VAL A 68 7.403 2.762 9.529 1.00 0.00 C ATOM 1049 CG2 VAL A 68 5.106 2.006 10.146 1.00 0.00 C ATOM 0 H VAL A 68 6.936 5.477 9.580 1.00 0.00 H new ATOM 0 HA VAL A 68 4.901 4.414 11.217 1.00 0.00 H new ATOM 0 HB VAL A 68 5.573 3.693 8.890 1.00 0.00 H new ATOM 0 HG11 VAL A 68 7.414 2.044 8.709 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.016 3.624 9.265 1.00 0.00 H new ATOM 0 HG13 VAL A 68 7.804 2.293 10.428 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.128 1.289 9.325 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.496 1.536 11.049 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.079 2.328 10.320 1.00 0.00 H new ATOM 1059 N ALA A 69 7.973 3.951 12.220 1.00 0.00 N ATOM 1060 CA ALA A 69 8.783 3.480 13.334 1.00 0.00 C ATOM 1061 C ALA A 69 8.438 4.248 14.610 1.00 0.00 C ATOM 1062 O ALA A 69 8.597 3.735 15.717 1.00 0.00 O ATOM 1063 CB ALA A 69 10.268 3.647 13.010 1.00 0.00 C ATOM 0 H ALA A 69 8.482 4.498 11.526 1.00 0.00 H new ATOM 0 HA ALA A 69 8.569 2.423 13.495 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.866 3.292 13.849 1.00 0.00 H new ATOM 0 HB2 ALA A 69 10.513 3.068 12.119 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.485 4.700 12.830 1.00 0.00 H new ATOM 1069 N SER A 70 7.966 5.482 14.442 1.00 0.00 N ATOM 1070 CA SER A 70 7.598 6.310 15.586 1.00 0.00 C ATOM 1071 C SER A 70 6.360 5.751 16.285 1.00 0.00 C ATOM 1072 O SER A 70 6.304 5.674 17.511 1.00 0.00 O ATOM 1073 CB SER A 70 7.324 7.744 15.128 1.00 0.00 C ATOM 1074 OG SER A 70 7.026 8.548 16.261 1.00 0.00 O ATOM 0 H SER A 70 7.831 5.926 13.534 1.00 0.00 H new ATOM 0 HA SER A 70 8.429 6.306 16.291 1.00 0.00 H new ATOM 0 HB2 SER A 70 8.192 8.143 14.603 1.00 0.00 H new ATOM 0 HB3 SER A 70 6.491 7.761 14.426 1.00 0.00 H new ATOM 0 HG SER A 70 7.274 9.478 16.077 1.00 0.00 H new ATOM 1080 N LEU A 71 5.365 5.367 15.488 1.00 0.00 N ATOM 1081 CA LEU A 71 4.123 4.818 16.026 1.00 0.00 C ATOM 1082 C LEU A 71 4.378 3.470 16.688 1.00 0.00 C ATOM 1083 O LEU A 71 3.686 3.087 17.633 1.00 0.00 O ATOM 1084 CB LEU A 71 3.088 4.662 14.909 1.00 0.00 C ATOM 1085 CG LEU A 71 2.937 5.989 14.158 1.00 0.00 C ATOM 1086 CD1 LEU A 71 1.917 5.819 13.029 1.00 0.00 C ATOM 1087 CD2 LEU A 71 2.464 7.087 15.124 1.00 0.00 C ATOM 0 H LEU A 71 5.395 5.426 14.470 1.00 0.00 H new ATOM 0 HA LEU A 71 3.737 5.509 16.776 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.397 3.876 14.220 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.129 4.359 15.328 1.00 0.00 H new ATOM 0 HG LEU A 71 3.901 6.278 13.738 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.807 6.762 12.493 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.262 5.048 12.340 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.955 5.526 13.449 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.359 8.027 14.583 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.502 6.805 15.552 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.195 7.208 15.923 1.00 0.00 H new ATOM 1099 N THR A 72 5.374 2.751 16.184 1.00 0.00 N ATOM 1100 CA THR A 72 5.713 1.443 16.730 1.00 0.00 C ATOM 1101 C THR A 72 7.148 1.069 16.374 1.00 0.00 C ATOM 1102 O THR A 72 7.323 0.238 15.497 1.00 0.00 O ATOM 1103 CB THR A 72 4.754 0.388 16.175 1.00 0.00 C ATOM 1104 OG1 THR A 72 5.363 -0.894 16.257 1.00 0.00 O ATOM 1105 CG2 THR A 72 4.434 0.713 14.715 1.00 0.00 C ATOM 1106 OXT THR A 72 8.050 1.619 16.984 1.00 0.00 O ATOM 0 H THR A 72 5.958 3.050 15.403 1.00 0.00 H new ATOM 0 HA THR A 72 5.622 1.485 17.815 1.00 0.00 H new ATOM 0 HB THR A 72 3.832 0.388 16.757 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.085 -0.956 15.597 1.00 0.00 H new ATOM 0 HG21 THR A 72 3.751 -0.037 14.317 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.968 1.697 14.655 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.355 0.711 14.132 1.00 0.00 H new TER 1114 THR A 72