USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 842 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: 1 23 TYR OH : rot -120:sc= 0.634 USER MOD Set 1.2: 2 23 TYR OH : rot 10:sc= -0.269! USER MOD Single : 1 1 GLU N :NH3+ -115:sc= 0.0955 (180deg=0) USER MOD Single : 1 3 TYR OH : rot 180:sc= 0 USER MOD Single : 1 7 SER OG : rot -76:sc= 0.54 USER MOD Single : 1 9 ASN : amide:sc= -0.281 X(o=-0.28,f=0) USER MOD Single : 1 10 GLN : amide:sc= -17.4! C(o=-17!,f=-17!) USER MOD Single : 1 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 25 HIS : no HD1:sc= -0.422 X(o=-0.42,f=-0.49) USER MOD Single : 1 27 THR OG1 : rot 61:sc= 0.186 USER MOD Single : 1 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 1 32 ASN : amide:sc= -3.26! K(o=-3.3!,f=-0.68) USER MOD Single : 1 33 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : 1 40 SER OG : rot 174:sc= -0.236 USER MOD Single : 1 50 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0112) USER MOD Single : 1 53 GLN : amide:sc= -9.9! C(o=-9.9!,f=-16!) USER MOD Single : 1 58 THR OG1 : rot -150:sc= -1.29 USER MOD Single : 2 1 GLU N :NH3+ -112:sc= 0.0529 (180deg=-0.0136) USER MOD Single : 2 3 TYR OH : rot 180:sc= 0 USER MOD Single : 2 7 SER OG : rot -30:sc= -0.0999 USER MOD Single : 2 9 ASN : amide:sc= 0.0403 X(o=0.04,f=0) USER MOD Single : 2 10 GLN : amide:sc= -10.6! C(o=-11!,f=-8.8!) USER MOD Single : 2 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 25 HIS : no HD1:sc=-0.00569 X(o=-0.0057,f=-0.18) USER MOD Single : 2 27 THR OG1 : rot 55:sc= 0.177 USER MOD Single : 2 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : 2 32 ASN : amide:sc= -2.11 K(o=-2.1,f=-0.53) USER MOD Single : 2 33 ASN : amide:sc= -0.0539 X(o=-0.054,f=-0.037) USER MOD Single : 2 40 SER OG : rot 180:sc= 0 USER MOD Single : 2 50 LYS NZ :NH3+ 150:sc= 1.26 (180deg=0.984) USER MOD Single : 2 53 GLN : amide:sc= -15.3! C(o=-15!,f=-22!) USER MOD Single : 2 58 THR OG1 : rot 180:sc= -0.778 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU 1 1 -18.219 -11.489 -0.533 1.00 0.00 N ATOM 2 CA GLU 1 1 -17.347 -10.797 -1.466 1.00 0.00 C ATOM 3 C GLU 1 1 -16.185 -11.703 -1.877 1.00 0.00 C ATOM 4 O GLU 1 1 -15.925 -12.718 -1.232 1.00 0.00 O ATOM 5 CB GLU 1 1 -16.834 -9.486 -0.868 1.00 0.00 C ATOM 6 CG GLU 1 1 -16.172 -8.616 -1.939 1.00 0.00 C ATOM 7 CD GLU 1 1 -17.073 -8.480 -3.168 1.00 0.00 C ATOM 8 OE1 GLU 1 1 -18.261 -8.151 -2.967 1.00 0.00 O ATOM 9 OE2 GLU 1 1 -16.552 -8.708 -4.281 1.00 0.00 O ATOM 0 H1 GLU 1 1 -19.153 -11.629 -0.969 1.00 0.00 H new ATOM 0 H2 GLU 1 1 -17.807 -12.413 -0.293 1.00 0.00 H new ATOM 0 H3 GLU 1 1 -18.323 -10.921 0.332 1.00 0.00 H new ATOM 0 HA GLU 1 1 -17.924 -10.550 -2.357 1.00 0.00 H new ATOM 0 HB2 GLU 1 1 -17.661 -8.942 -0.413 1.00 0.00 H new ATOM 0 HB3 GLU 1 1 -16.118 -9.700 -0.074 1.00 0.00 H new ATOM 0 HG2 GLU 1 1 -15.958 -7.629 -1.530 1.00 0.00 H new ATOM 0 HG3 GLU 1 1 -15.217 -9.054 -2.230 1.00 0.00 H new ATOM 16 N GLU 1 2 -15.516 -11.305 -2.949 1.00 0.00 N ATOM 17 CA GLU 1 2 -14.387 -12.069 -3.455 1.00 0.00 C ATOM 18 C GLU 1 2 -13.101 -11.650 -2.740 1.00 0.00 C ATOM 19 O GLU 1 2 -12.002 -11.941 -3.210 1.00 0.00 O ATOM 20 CB GLU 1 2 -14.251 -11.908 -4.970 1.00 0.00 C ATOM 21 CG GLU 1 2 -15.009 -13.012 -5.709 1.00 0.00 C ATOM 22 CD GLU 1 2 -14.059 -13.850 -6.567 1.00 0.00 C ATOM 23 OE1 GLU 1 2 -13.398 -14.735 -5.982 1.00 0.00 O ATOM 24 OE2 GLU 1 2 -14.015 -13.587 -7.788 1.00 0.00 O ATOM 0 H GLU 1 2 -15.734 -10.463 -3.482 1.00 0.00 H new ATOM 0 HA GLU 1 2 -14.566 -13.125 -3.251 1.00 0.00 H new ATOM 0 HB2 GLU 1 2 -14.635 -10.934 -5.272 1.00 0.00 H new ATOM 0 HB3 GLU 1 2 -13.198 -11.936 -5.249 1.00 0.00 H new ATOM 0 HG2 GLU 1 2 -15.517 -13.654 -4.989 1.00 0.00 H new ATOM 0 HG3 GLU 1 2 -15.780 -12.569 -6.340 1.00 0.00 H new ATOM 31 N TYR 1 3 -13.280 -10.973 -1.615 1.00 0.00 N ATOM 32 CA TYR 1 3 -12.147 -10.511 -0.832 1.00 0.00 C ATOM 33 C TYR 1 3 -11.731 -11.560 0.203 1.00 0.00 C ATOM 34 O TYR 1 3 -11.953 -11.379 1.398 1.00 0.00 O ATOM 35 CB TYR 1 3 -12.623 -9.254 -0.102 1.00 0.00 C ATOM 36 CG TYR 1 3 -12.344 -7.952 -0.856 1.00 0.00 C ATOM 37 CD1 TYR 1 3 -12.651 -7.853 -2.198 1.00 0.00 C ATOM 38 CD2 TYR 1 3 -11.784 -6.878 -0.194 1.00 0.00 C ATOM 39 CE1 TYR 1 3 -12.387 -6.629 -2.908 1.00 0.00 C ATOM 40 CE2 TYR 1 3 -11.521 -5.654 -0.905 1.00 0.00 C ATOM 41 CZ TYR 1 3 -11.836 -5.589 -2.226 1.00 0.00 C ATOM 42 OH TYR 1 3 -11.587 -4.432 -2.897 1.00 0.00 O ATOM 0 H TYR 1 3 -14.193 -10.734 -1.227 1.00 0.00 H new ATOM 0 HA TYR 1 3 -11.288 -10.321 -1.476 1.00 0.00 H new ATOM 0 HB2 TYR 1 3 -13.695 -9.335 0.078 1.00 0.00 H new ATOM 0 HB3 TYR 1 3 -12.139 -9.208 0.873 1.00 0.00 H new ATOM 0 HD1 TYR 1 3 -13.089 -8.694 -2.715 1.00 0.00 H new ATOM 0 HD2 TYR 1 3 -11.543 -6.956 0.856 1.00 0.00 H new ATOM 0 HE1 TYR 1 3 -12.621 -6.538 -3.958 1.00 0.00 H new ATOM 0 HE2 TYR 1 3 -11.083 -4.806 -0.400 1.00 0.00 H new ATOM 0 HH TYR 1 3 -11.194 -3.776 -2.284 1.00 0.00 H new ATOM 52 N VAL 1 4 -11.136 -12.632 -0.297 1.00 0.00 N ATOM 53 CA VAL 1 4 -10.687 -13.711 0.568 1.00 0.00 C ATOM 54 C VAL 1 4 -9.167 -13.847 0.459 1.00 0.00 C ATOM 55 O VAL 1 4 -8.460 -13.781 1.464 1.00 0.00 O ATOM 56 CB VAL 1 4 -11.430 -15.002 0.222 1.00 0.00 C ATOM 57 CG1 VAL 1 4 -11.166 -15.416 -1.227 1.00 0.00 C ATOM 58 CG2 VAL 1 4 -11.053 -16.127 1.189 1.00 0.00 C ATOM 0 H VAL 1 4 -10.954 -12.777 -1.290 1.00 0.00 H new ATOM 0 HA VAL 1 4 -10.919 -13.488 1.609 1.00 0.00 H new ATOM 0 HB VAL 1 4 -12.498 -14.812 0.327 1.00 0.00 H new ATOM 0 HG11 VAL 1 4 -11.706 -16.337 -1.446 1.00 0.00 H new ATOM 0 HG12 VAL 1 4 -11.506 -14.627 -1.898 1.00 0.00 H new ATOM 0 HG13 VAL 1 4 -10.098 -15.579 -1.370 1.00 0.00 H new ATOM 0 HG21 VAL 1 4 -11.595 -17.034 0.921 1.00 0.00 H new ATOM 0 HG22 VAL 1 4 -9.981 -16.314 1.129 1.00 0.00 H new ATOM 0 HG23 VAL 1 4 -11.314 -15.835 2.206 1.00 0.00 H new ATOM 68 N GLY 1 5 -8.708 -14.035 -0.770 1.00 0.00 N ATOM 69 CA GLY 1 5 -7.285 -14.181 -1.023 1.00 0.00 C ATOM 70 C GLY 1 5 -6.554 -12.851 -0.831 1.00 0.00 C ATOM 71 O GLY 1 5 -5.344 -12.768 -1.035 1.00 0.00 O ATOM 0 H GLY 1 5 -9.297 -14.090 -1.601 1.00 0.00 H new ATOM 0 HA2 GLY 1 5 -6.867 -14.930 -0.350 1.00 0.00 H new ATOM 0 HA3 GLY 1 5 -7.128 -14.543 -2.039 1.00 0.00 H new ATOM 75 N LEU 1 6 -7.319 -11.843 -0.437 1.00 0.00 N ATOM 76 CA LEU 1 6 -6.759 -10.522 -0.214 1.00 0.00 C ATOM 77 C LEU 1 6 -7.298 -9.960 1.104 1.00 0.00 C ATOM 78 O LEU 1 6 -7.102 -8.785 1.408 1.00 0.00 O ATOM 79 CB LEU 1 6 -7.021 -9.618 -1.421 1.00 0.00 C ATOM 80 CG LEU 1 6 -8.336 -9.860 -2.167 1.00 0.00 C ATOM 81 CD1 LEU 1 6 -8.870 -8.560 -2.770 1.00 0.00 C ATOM 82 CD2 LEU 1 6 -8.174 -10.957 -3.220 1.00 0.00 C ATOM 0 H LEU 1 6 -8.322 -11.915 -0.267 1.00 0.00 H new ATOM 0 HA LEU 1 6 -5.675 -10.579 -0.117 1.00 0.00 H new ATOM 0 HB2 LEU 1 6 -7.002 -8.581 -1.084 1.00 0.00 H new ATOM 0 HB3 LEU 1 6 -6.199 -9.739 -2.126 1.00 0.00 H new ATOM 0 HG LEU 1 6 -9.078 -10.210 -1.449 1.00 0.00 H new ATOM 0 HD11 LEU 1 6 -9.805 -8.759 -3.294 1.00 0.00 H new ATOM 0 HD12 LEU 1 6 -9.047 -7.836 -1.975 1.00 0.00 H new ATOM 0 HD13 LEU 1 6 -8.139 -8.157 -3.471 1.00 0.00 H new ATOM 0 HD21 LEU 1 6 -9.122 -11.109 -3.735 1.00 0.00 H new ATOM 0 HD22 LEU 1 6 -7.413 -10.660 -3.941 1.00 0.00 H new ATOM 0 HD23 LEU 1 6 -7.871 -11.885 -2.735 1.00 0.00 H new ATOM 94 N SER 1 7 -7.967 -10.827 1.849 1.00 0.00 N ATOM 95 CA SER 1 7 -8.536 -10.432 3.127 1.00 0.00 C ATOM 96 C SER 1 7 -7.419 -10.181 4.141 1.00 0.00 C ATOM 97 O SER 1 7 -6.250 -10.081 3.772 1.00 0.00 O ATOM 98 CB SER 1 7 -9.502 -11.496 3.653 1.00 0.00 C ATOM 99 OG SER 1 7 -8.890 -12.337 4.628 1.00 0.00 O ATOM 0 H SER 1 7 -8.128 -11.801 1.593 1.00 0.00 H new ATOM 0 HA SER 1 7 -9.099 -9.510 2.981 1.00 0.00 H new ATOM 0 HB2 SER 1 7 -10.374 -11.010 4.090 1.00 0.00 H new ATOM 0 HB3 SER 1 7 -9.859 -12.104 2.822 1.00 0.00 H new ATOM 0 HG SER 1 7 -8.296 -12.977 4.182 1.00 0.00 H new ATOM 105 N ALA 1 8 -7.817 -10.088 5.402 1.00 0.00 N ATOM 106 CA ALA 1 8 -6.865 -9.851 6.473 1.00 0.00 C ATOM 107 C ALA 1 8 -6.023 -11.110 6.689 1.00 0.00 C ATOM 108 O ALA 1 8 -4.992 -11.065 7.357 1.00 0.00 O ATOM 109 CB ALA 1 8 -7.613 -9.425 7.737 1.00 0.00 C ATOM 0 H ALA 1 8 -8.787 -10.173 5.705 1.00 0.00 H new ATOM 0 HA ALA 1 8 -6.185 -9.041 6.209 1.00 0.00 H new ATOM 0 HB1 ALA 1 8 -6.898 -9.247 8.540 1.00 0.00 H new ATOM 0 HB2 ALA 1 8 -8.171 -8.510 7.539 1.00 0.00 H new ATOM 0 HB3 ALA 1 8 -8.304 -10.214 8.034 1.00 0.00 H new ATOM 115 N ASN 1 9 -6.496 -12.206 6.112 1.00 0.00 N ATOM 116 CA ASN 1 9 -5.800 -13.475 6.232 1.00 0.00 C ATOM 117 C ASN 1 9 -4.856 -13.651 5.042 1.00 0.00 C ATOM 118 O ASN 1 9 -4.054 -14.583 5.013 1.00 0.00 O ATOM 119 CB ASN 1 9 -6.786 -14.645 6.231 1.00 0.00 C ATOM 120 CG ASN 1 9 -6.592 -15.528 7.466 1.00 0.00 C ATOM 121 OD1 ASN 1 9 -7.361 -15.494 8.412 1.00 0.00 O ATOM 122 ND2 ASN 1 9 -5.523 -16.317 7.404 1.00 0.00 N ATOM 0 H ASN 1 9 -7.353 -12.240 5.560 1.00 0.00 H new ATOM 0 HA ASN 1 9 -5.248 -13.468 7.172 1.00 0.00 H new ATOM 0 HB2 ASN 1 9 -7.807 -14.264 6.209 1.00 0.00 H new ATOM 0 HB3 ASN 1 9 -6.648 -15.241 5.329 1.00 0.00 H new ATOM 0 HD21 ASN 1 9 -5.306 -16.944 8.179 1.00 0.00 H new ATOM 0 HD22 ASN 1 9 -4.920 -16.296 6.581 1.00 0.00 H new ATOM 129 N GLN 1 10 -4.983 -12.739 4.087 1.00 0.00 N ATOM 130 CA GLN 1 10 -4.151 -12.782 2.897 1.00 0.00 C ATOM 131 C GLN 1 10 -2.675 -12.645 3.276 1.00 0.00 C ATOM 132 O GLN 1 10 -1.824 -13.354 2.740 1.00 0.00 O ATOM 133 CB GLN 1 10 -4.564 -11.697 1.900 1.00 0.00 C ATOM 134 CG GLN 1 10 -3.585 -10.522 1.933 1.00 0.00 C ATOM 135 CD GLN 1 10 -3.960 -9.467 0.890 1.00 0.00 C ATOM 136 OE1 GLN 1 10 -4.737 -8.560 1.138 1.00 0.00 O ATOM 137 NE2 GLN 1 10 -3.366 -9.636 -0.288 1.00 0.00 N ATOM 0 H GLN 1 10 -5.649 -11.967 4.114 1.00 0.00 H new ATOM 0 HA GLN 1 10 -4.293 -13.748 2.412 1.00 0.00 H new ATOM 0 HB2 GLN 1 10 -4.601 -12.117 0.895 1.00 0.00 H new ATOM 0 HB3 GLN 1 10 -5.568 -11.345 2.135 1.00 0.00 H new ATOM 0 HG2 GLN 1 10 -3.584 -10.073 2.926 1.00 0.00 H new ATOM 0 HG3 GLN 1 10 -2.573 -10.881 1.745 1.00 0.00 H new ATOM 0 HE21 GLN 1 10 -2.726 -10.417 -0.429 1.00 0.00 H new ATOM 0 HE22 GLN 1 10 -3.551 -8.984 -1.051 1.00 0.00 H new ATOM 146 N CYS 1 11 -2.416 -11.728 4.197 1.00 0.00 N ATOM 147 CA CYS 1 11 -1.058 -11.490 4.654 1.00 0.00 C ATOM 148 C CYS 1 11 -0.510 -12.795 5.235 1.00 0.00 C ATOM 149 O CYS 1 11 0.688 -12.910 5.491 1.00 0.00 O ATOM 150 CB CYS 1 11 -0.994 -10.344 5.665 1.00 0.00 C ATOM 151 SG CYS 1 11 0.621 -10.149 6.505 1.00 0.00 S ATOM 0 H CYS 1 11 -3.124 -11.141 4.639 1.00 0.00 H new ATOM 0 HA CYS 1 11 -0.438 -11.180 3.813 1.00 0.00 H new ATOM 0 HB2 CYS 1 11 -1.236 -9.413 5.153 1.00 0.00 H new ATOM 0 HB3 CYS 1 11 -1.764 -10.502 6.421 1.00 0.00 H new ATOM 156 N ALA 1 12 -1.413 -13.745 5.428 1.00 0.00 N ATOM 157 CA ALA 1 12 -1.035 -15.037 5.974 1.00 0.00 C ATOM 158 C ALA 1 12 -0.762 -16.011 4.826 1.00 0.00 C ATOM 159 O ALA 1 12 -0.805 -17.226 5.014 1.00 0.00 O ATOM 160 CB ALA 1 12 -2.136 -15.537 6.911 1.00 0.00 C ATOM 0 H ALA 1 12 -2.406 -13.646 5.216 1.00 0.00 H new ATOM 0 HA ALA 1 12 -0.120 -14.952 6.560 1.00 0.00 H new ATOM 0 HB1 ALA 1 12 -1.853 -16.506 7.321 1.00 0.00 H new ATOM 0 HB2 ALA 1 12 -2.272 -14.825 7.725 1.00 0.00 H new ATOM 0 HB3 ALA 1 12 -3.069 -15.636 6.356 1.00 0.00 H new ATOM 166 N VAL 1 13 -0.484 -15.441 3.662 1.00 0.00 N ATOM 167 CA VAL 1 13 -0.202 -16.244 2.484 1.00 0.00 C ATOM 168 C VAL 1 13 0.703 -17.414 2.874 1.00 0.00 C ATOM 169 O VAL 1 13 1.251 -17.440 3.975 1.00 0.00 O ATOM 170 CB VAL 1 13 0.396 -15.366 1.384 1.00 0.00 C ATOM 171 CG1 VAL 1 13 -0.672 -14.960 0.365 1.00 0.00 C ATOM 172 CG2 VAL 1 13 1.083 -14.135 1.977 1.00 0.00 C ATOM 0 H VAL 1 13 -0.448 -14.433 3.510 1.00 0.00 H new ATOM 0 HA VAL 1 13 -1.122 -16.666 2.080 1.00 0.00 H new ATOM 0 HB VAL 1 13 1.152 -15.952 0.862 1.00 0.00 H new ATOM 0 HG11 VAL 1 13 -0.220 -14.336 -0.406 1.00 0.00 H new ATOM 0 HG12 VAL 1 13 -1.096 -15.854 -0.093 1.00 0.00 H new ATOM 0 HG13 VAL 1 13 -1.461 -14.401 0.868 1.00 0.00 H new ATOM 0 HG21 VAL 1 13 1.499 -13.528 1.173 1.00 0.00 H new ATOM 0 HG22 VAL 1 13 0.356 -13.547 2.536 1.00 0.00 H new ATOM 0 HG23 VAL 1 13 1.884 -14.452 2.645 1.00 0.00 H new ATOM 182 N PRO 1 14 0.838 -18.378 1.924 1.00 0.00 N ATOM 183 CA PRO 1 14 1.668 -19.548 2.157 1.00 0.00 C ATOM 184 C PRO 1 14 3.154 -19.194 2.058 1.00 0.00 C ATOM 185 O PRO 1 14 4.011 -20.071 2.152 1.00 0.00 O ATOM 186 CB PRO 1 14 1.226 -20.558 1.111 1.00 0.00 C ATOM 187 CG PRO 1 14 0.498 -19.760 0.042 1.00 0.00 C ATOM 188 CD PRO 1 14 0.205 -18.380 0.609 1.00 0.00 C ATOM 0 HA PRO 1 14 1.548 -19.956 3.160 1.00 0.00 H new ATOM 0 HB2 PRO 1 14 2.083 -21.084 0.690 1.00 0.00 H new ATOM 0 HB3 PRO 1 14 0.572 -21.312 1.548 1.00 0.00 H new ATOM 0 HG2 PRO 1 14 1.108 -19.681 -0.858 1.00 0.00 H new ATOM 0 HG3 PRO 1 14 -0.428 -20.260 -0.243 1.00 0.00 H new ATOM 0 HD2 PRO 1 14 0.613 -17.595 -0.028 1.00 0.00 H new ATOM 0 HD3 PRO 1 14 -0.868 -18.203 0.686 1.00 0.00 H new ATOM 196 N ALA 1 15 3.411 -17.908 1.867 1.00 0.00 N ATOM 197 CA ALA 1 15 4.778 -17.429 1.754 1.00 0.00 C ATOM 198 C ALA 1 15 5.266 -17.626 0.317 1.00 0.00 C ATOM 199 O ALA 1 15 6.379 -18.101 0.095 1.00 0.00 O ATOM 200 CB ALA 1 15 5.660 -18.153 2.773 1.00 0.00 C ATOM 0 H ALA 1 15 2.697 -17.184 1.788 1.00 0.00 H new ATOM 0 HA ALA 1 15 4.830 -16.363 1.977 1.00 0.00 H new ATOM 0 HB1 ALA 1 15 6.685 -17.793 2.688 1.00 0.00 H new ATOM 0 HB2 ALA 1 15 5.289 -17.957 3.779 1.00 0.00 H new ATOM 0 HB3 ALA 1 15 5.635 -19.225 2.579 1.00 0.00 H new ATOM 206 N LYS 1 16 4.408 -17.251 -0.621 1.00 0.00 N ATOM 207 CA LYS 1 16 4.738 -17.381 -2.030 1.00 0.00 C ATOM 208 C LYS 1 16 3.563 -16.880 -2.872 1.00 0.00 C ATOM 209 O LYS 1 16 3.176 -17.521 -3.849 1.00 0.00 O ATOM 210 CB LYS 1 16 5.158 -18.817 -2.352 1.00 0.00 C ATOM 211 CG LYS 1 16 4.594 -19.797 -1.322 1.00 0.00 C ATOM 212 CD LYS 1 16 4.276 -21.147 -1.967 1.00 0.00 C ATOM 213 CE LYS 1 16 5.493 -22.075 -1.929 1.00 0.00 C ATOM 214 NZ LYS 1 16 5.308 -23.209 -2.860 1.00 0.00 N ATOM 0 H LYS 1 16 3.486 -16.858 -0.433 1.00 0.00 H new ATOM 0 HA LYS 1 16 5.598 -16.759 -2.279 1.00 0.00 H new ATOM 0 HB2 LYS 1 16 4.806 -19.088 -3.348 1.00 0.00 H new ATOM 0 HB3 LYS 1 16 6.246 -18.887 -2.368 1.00 0.00 H new ATOM 0 HG2 LYS 1 16 5.313 -19.936 -0.515 1.00 0.00 H new ATOM 0 HG3 LYS 1 16 3.691 -19.381 -0.876 1.00 0.00 H new ATOM 0 HD2 LYS 1 16 3.441 -21.615 -1.446 1.00 0.00 H new ATOM 0 HD3 LYS 1 16 3.962 -20.995 -3.000 1.00 0.00 H new ATOM 0 HE2 LYS 1 16 6.391 -21.518 -2.198 1.00 0.00 H new ATOM 0 HE3 LYS 1 16 5.641 -22.449 -0.916 1.00 0.00 H new ATOM 0 HZ1 LYS 1 16 6.142 -23.829 -2.822 1.00 0.00 H new ATOM 0 HZ2 LYS 1 16 4.463 -23.749 -2.586 1.00 0.00 H new ATOM 0 HZ3 LYS 1 16 5.189 -22.848 -3.828 1.00 0.00 H new ATOM 228 N ASP 1 17 3.028 -15.739 -2.465 1.00 0.00 N ATOM 229 CA ASP 1 17 1.904 -15.146 -3.169 1.00 0.00 C ATOM 230 C ASP 1 17 1.917 -13.630 -2.955 1.00 0.00 C ATOM 231 O ASP 1 17 0.950 -12.946 -3.285 1.00 0.00 O ATOM 232 CB ASP 1 17 0.574 -15.686 -2.641 1.00 0.00 C ATOM 233 CG ASP 1 17 -0.671 -15.132 -3.335 1.00 0.00 C ATOM 234 OD1 ASP 1 17 -0.601 -14.955 -4.571 1.00 0.00 O ATOM 235 OD2 ASP 1 17 -1.665 -14.895 -2.614 1.00 0.00 O ATOM 0 H ASP 1 17 3.352 -15.209 -1.656 1.00 0.00 H new ATOM 0 HA ASP 1 17 1.999 -15.395 -4.226 1.00 0.00 H new ATOM 0 HB2 ASP 1 17 0.575 -16.771 -2.741 1.00 0.00 H new ATOM 0 HB3 ASP 1 17 0.507 -15.464 -1.576 1.00 0.00 H new ATOM 240 N ARG 1 18 3.023 -13.152 -2.406 1.00 0.00 N ATOM 241 CA ARG 1 18 3.175 -11.731 -2.146 1.00 0.00 C ATOM 242 C ARG 1 18 3.868 -11.045 -3.324 1.00 0.00 C ATOM 243 O ARG 1 18 4.213 -11.696 -4.310 1.00 0.00 O ATOM 244 CB ARG 1 18 3.990 -11.488 -0.873 1.00 0.00 C ATOM 245 CG ARG 1 18 3.558 -12.440 0.244 1.00 0.00 C ATOM 246 CD ARG 1 18 4.775 -13.048 0.946 1.00 0.00 C ATOM 247 NE ARG 1 18 4.333 -13.916 2.061 1.00 0.00 N ATOM 248 CZ ARG 1 18 5.072 -14.175 3.149 1.00 0.00 C ATOM 249 NH1 ARG 1 18 6.291 -13.634 3.275 1.00 0.00 N ATOM 250 NH2 ARG 1 18 4.590 -14.973 4.112 1.00 0.00 N ATOM 0 H ARG 1 18 3.823 -13.723 -2.134 1.00 0.00 H new ATOM 0 HA ARG 1 18 2.178 -11.311 -2.013 1.00 0.00 H new ATOM 0 HB2 ARG 1 18 5.050 -11.626 -1.084 1.00 0.00 H new ATOM 0 HB3 ARG 1 18 3.862 -10.456 -0.546 1.00 0.00 H new ATOM 0 HG2 ARG 1 18 2.946 -11.903 0.969 1.00 0.00 H new ATOM 0 HG3 ARG 1 18 2.937 -13.235 -0.170 1.00 0.00 H new ATOM 0 HD2 ARG 1 18 5.364 -13.627 0.235 1.00 0.00 H new ATOM 0 HD3 ARG 1 18 5.421 -12.256 1.325 1.00 0.00 H new ATOM 0 HE ARG 1 18 3.409 -14.343 1.997 1.00 0.00 H new ATOM 0 HH11 ARG 1 18 6.657 -13.025 2.543 1.00 0.00 H new ATOM 0 HH12 ARG 1 18 6.853 -13.831 4.103 1.00 0.00 H new ATOM 0 HH21 ARG 1 18 3.661 -15.383 4.017 1.00 0.00 H new ATOM 0 HH22 ARG 1 18 5.152 -15.170 4.940 1.00 0.00 H new ATOM 264 N VAL 1 19 4.052 -9.741 -3.185 1.00 0.00 N ATOM 265 CA VAL 1 19 4.697 -8.959 -4.227 1.00 0.00 C ATOM 266 C VAL 1 19 6.079 -8.516 -3.743 1.00 0.00 C ATOM 267 O VAL 1 19 6.651 -7.564 -4.273 1.00 0.00 O ATOM 268 CB VAL 1 19 3.802 -7.788 -4.633 1.00 0.00 C ATOM 269 CG1 VAL 1 19 4.215 -7.229 -5.996 1.00 0.00 C ATOM 270 CG2 VAL 1 19 2.327 -8.198 -4.632 1.00 0.00 C ATOM 0 H VAL 1 19 3.766 -9.205 -2.366 1.00 0.00 H new ATOM 0 HA VAL 1 19 4.844 -9.563 -5.122 1.00 0.00 H new ATOM 0 HB VAL 1 19 3.930 -6.997 -3.894 1.00 0.00 H new ATOM 0 HG11 VAL 1 19 3.562 -6.397 -6.261 1.00 0.00 H new ATOM 0 HG12 VAL 1 19 5.247 -6.880 -5.949 1.00 0.00 H new ATOM 0 HG13 VAL 1 19 4.131 -8.011 -6.751 1.00 0.00 H new ATOM 0 HG21 VAL 1 19 1.712 -7.347 -4.924 1.00 0.00 H new ATOM 0 HG22 VAL 1 19 2.176 -9.014 -5.338 1.00 0.00 H new ATOM 0 HG23 VAL 1 19 2.041 -8.526 -3.632 1.00 0.00 H new ATOM 280 N ASP 1 20 6.577 -9.227 -2.742 1.00 0.00 N ATOM 281 CA ASP 1 20 7.882 -8.919 -2.181 1.00 0.00 C ATOM 282 C ASP 1 20 8.106 -7.406 -2.224 1.00 0.00 C ATOM 283 O ASP 1 20 8.618 -6.879 -3.210 1.00 0.00 O ATOM 284 CB ASP 1 20 8.998 -9.586 -2.986 1.00 0.00 C ATOM 285 CG ASP 1 20 10.323 -8.820 -3.011 1.00 0.00 C ATOM 286 OD1 ASP 1 20 10.904 -8.654 -1.916 1.00 0.00 O ATOM 287 OD2 ASP 1 20 10.725 -8.418 -4.125 1.00 0.00 O ATOM 0 H ASP 1 20 6.100 -10.016 -2.305 1.00 0.00 H new ATOM 0 HA ASP 1 20 7.906 -9.290 -1.156 1.00 0.00 H new ATOM 0 HB2 ASP 1 20 9.178 -10.580 -2.576 1.00 0.00 H new ATOM 0 HB3 ASP 1 20 8.655 -9.722 -4.012 1.00 0.00 H new ATOM 292 N CYS 1 21 7.711 -6.751 -1.143 1.00 0.00 N ATOM 293 CA CYS 1 21 7.862 -5.310 -1.043 1.00 0.00 C ATOM 294 C CYS 1 21 9.340 -4.967 -1.242 1.00 0.00 C ATOM 295 O CYS 1 21 9.669 -3.921 -1.802 1.00 0.00 O ATOM 296 CB CYS 1 21 7.326 -4.774 0.285 1.00 0.00 C ATOM 297 SG CYS 1 21 6.386 -3.209 0.159 1.00 0.00 S ATOM 0 H CYS 1 21 7.286 -7.192 -0.328 1.00 0.00 H new ATOM 0 HA CYS 1 21 7.269 -4.826 -1.819 1.00 0.00 H new ATOM 0 HB2 CYS 1 21 6.684 -5.532 0.734 1.00 0.00 H new ATOM 0 HB3 CYS 1 21 8.165 -4.624 0.965 1.00 0.00 H new ATOM 302 N GLY 1 22 10.192 -5.867 -0.774 1.00 0.00 N ATOM 303 CA GLY 1 22 11.627 -5.673 -0.894 1.00 0.00 C ATOM 304 C GLY 1 22 12.039 -4.295 -0.375 1.00 0.00 C ATOM 305 O GLY 1 22 12.678 -3.524 -1.092 1.00 0.00 O ATOM 0 H GLY 1 22 9.916 -6.733 -0.311 1.00 0.00 H new ATOM 0 HA2 GLY 1 22 12.150 -6.448 -0.334 1.00 0.00 H new ATOM 0 HA3 GLY 1 22 11.926 -5.777 -1.937 1.00 0.00 H new ATOM 309 N TYR 1 23 11.656 -4.024 0.863 1.00 0.00 N ATOM 310 CA TYR 1 23 11.978 -2.751 1.486 1.00 0.00 C ATOM 311 C TYR 1 23 13.315 -2.824 2.226 1.00 0.00 C ATOM 312 O TYR 1 23 13.621 -3.829 2.865 1.00 0.00 O ATOM 313 CB TYR 1 23 10.863 -2.483 2.498 1.00 0.00 C ATOM 314 CG TYR 1 23 9.881 -1.390 2.068 1.00 0.00 C ATOM 315 CD1 TYR 1 23 10.306 -0.365 1.247 1.00 0.00 C ATOM 316 CD2 TYR 1 23 8.571 -1.429 2.502 1.00 0.00 C ATOM 317 CE1 TYR 1 23 9.383 0.663 0.842 1.00 0.00 C ATOM 318 CE2 TYR 1 23 7.649 -0.401 2.097 1.00 0.00 C ATOM 319 CZ TYR 1 23 8.099 0.594 1.288 1.00 0.00 C ATOM 320 OH TYR 1 23 7.227 1.565 0.905 1.00 0.00 O ATOM 0 H TYR 1 23 11.125 -4.665 1.453 1.00 0.00 H new ATOM 0 HA TYR 1 23 12.058 -1.966 0.734 1.00 0.00 H new ATOM 0 HB2 TYR 1 23 10.311 -3.407 2.668 1.00 0.00 H new ATOM 0 HB3 TYR 1 23 11.311 -2.200 3.450 1.00 0.00 H new ATOM 0 HD1 TYR 1 23 11.331 -0.334 0.908 1.00 0.00 H new ATOM 0 HD2 TYR 1 23 8.238 -2.230 3.145 1.00 0.00 H new ATOM 0 HE1 TYR 1 23 9.702 1.470 0.199 1.00 0.00 H new ATOM 0 HE2 TYR 1 23 6.621 -0.420 2.429 1.00 0.00 H new ATOM 0 HH TYR 1 23 6.881 2.025 1.698 1.00 0.00 H new ATOM 330 N PRO 1 24 14.097 -1.718 2.110 1.00 0.00 N ATOM 331 CA PRO 1 24 15.394 -1.647 2.760 1.00 0.00 C ATOM 332 C PRO 1 24 15.242 -1.425 4.266 1.00 0.00 C ATOM 333 O PRO 1 24 16.203 -1.570 5.019 1.00 0.00 O ATOM 334 CB PRO 1 24 16.123 -0.510 2.063 1.00 0.00 C ATOM 335 CG PRO 1 24 15.047 0.313 1.372 1.00 0.00 C ATOM 336 CD PRO 1 24 13.768 -0.508 1.360 1.00 0.00 C ATOM 0 HA PRO 1 24 15.958 -2.576 2.674 1.00 0.00 H new ATOM 0 HB2 PRO 1 24 16.678 0.095 2.779 1.00 0.00 H new ATOM 0 HB3 PRO 1 24 16.845 -0.893 1.342 1.00 0.00 H new ATOM 0 HG2 PRO 1 24 14.891 1.255 1.897 1.00 0.00 H new ATOM 0 HG3 PRO 1 24 15.351 0.562 0.355 1.00 0.00 H new ATOM 0 HD2 PRO 1 24 12.945 0.035 1.825 1.00 0.00 H new ATOM 0 HD3 PRO 1 24 13.459 -0.745 0.342 1.00 0.00 H new ATOM 344 N HIS 1 25 14.026 -1.075 4.660 1.00 0.00 N ATOM 345 CA HIS 1 25 13.735 -0.831 6.063 1.00 0.00 C ATOM 346 C HIS 1 25 12.865 -1.963 6.611 1.00 0.00 C ATOM 347 O HIS 1 25 12.347 -1.871 7.723 1.00 0.00 O ATOM 348 CB HIS 1 25 13.103 0.549 6.254 1.00 0.00 C ATOM 349 CG HIS 1 25 13.714 1.354 7.375 1.00 0.00 C ATOM 350 ND1 HIS 1 25 15.064 1.313 7.678 1.00 0.00 N ATOM 351 CD2 HIS 1 25 13.147 2.222 8.262 1.00 0.00 C ATOM 352 CE1 HIS 1 25 15.288 2.123 8.703 1.00 0.00 C ATOM 353 NE2 HIS 1 25 14.099 2.685 9.063 1.00 0.00 N ATOM 0 H HIS 1 25 13.231 -0.955 4.032 1.00 0.00 H new ATOM 0 HA HIS 1 25 14.663 -0.824 6.635 1.00 0.00 H new ATOM 0 HB2 HIS 1 25 13.195 1.111 5.325 1.00 0.00 H new ATOM 0 HB3 HIS 1 25 12.037 0.426 6.448 1.00 0.00 H new ATOM 0 HD2 HIS 1 25 12.101 2.487 8.305 1.00 0.00 H new ATOM 0 HE1 HIS 1 25 16.244 2.306 9.171 1.00 0.00 H new ATOM 0 HE2 HIS 1 25 13.963 3.352 9.823 1.00 0.00 H new ATOM 362 N VAL 1 26 12.730 -3.006 5.804 1.00 0.00 N ATOM 363 CA VAL 1 26 11.931 -4.155 6.195 1.00 0.00 C ATOM 364 C VAL 1 26 12.192 -4.477 7.668 1.00 0.00 C ATOM 365 O VAL 1 26 13.344 -4.601 8.085 1.00 0.00 O ATOM 366 CB VAL 1 26 12.221 -5.335 5.264 1.00 0.00 C ATOM 367 CG1 VAL 1 26 13.726 -5.502 5.044 1.00 0.00 C ATOM 368 CG2 VAL 1 26 11.600 -6.625 5.804 1.00 0.00 C ATOM 0 H VAL 1 26 13.160 -3.079 4.882 1.00 0.00 H new ATOM 0 HA VAL 1 26 10.869 -3.933 6.095 1.00 0.00 H new ATOM 0 HB VAL 1 26 11.762 -5.121 4.299 1.00 0.00 H new ATOM 0 HG11 VAL 1 26 13.905 -6.347 4.379 1.00 0.00 H new ATOM 0 HG12 VAL 1 26 14.131 -4.595 4.595 1.00 0.00 H new ATOM 0 HG13 VAL 1 26 14.216 -5.683 6.001 1.00 0.00 H new ATOM 0 HG21 VAL 1 26 11.821 -7.448 5.124 1.00 0.00 H new ATOM 0 HG22 VAL 1 26 12.016 -6.845 6.787 1.00 0.00 H new ATOM 0 HG23 VAL 1 26 10.520 -6.502 5.886 1.00 0.00 H new ATOM 378 N THR 1 27 11.106 -4.603 8.414 1.00 0.00 N ATOM 379 CA THR 1 27 11.204 -4.909 9.832 1.00 0.00 C ATOM 380 C THR 1 27 9.828 -5.262 10.398 1.00 0.00 C ATOM 381 O THR 1 27 8.806 -4.823 9.873 1.00 0.00 O ATOM 382 CB THR 1 27 11.859 -3.714 10.528 1.00 0.00 C ATOM 383 OG1 THR 1 27 13.105 -4.224 10.996 1.00 0.00 O ATOM 384 CG2 THR 1 27 11.122 -3.305 11.805 1.00 0.00 C ATOM 0 H THR 1 27 10.153 -4.499 8.065 1.00 0.00 H new ATOM 0 HA THR 1 27 11.826 -5.787 10.005 1.00 0.00 H new ATOM 0 HB THR 1 27 11.893 -2.868 9.841 1.00 0.00 H new ATOM 0 HG1 THR 1 27 13.638 -4.534 10.234 1.00 0.00 H new ATOM 0 HG21 THR 1 27 11.627 -2.453 12.260 1.00 0.00 H new ATOM 0 HG22 THR 1 27 10.096 -3.030 11.561 1.00 0.00 H new ATOM 0 HG23 THR 1 27 11.117 -4.140 12.506 1.00 0.00 H new ATOM 392 N PRO 1 28 9.846 -6.074 11.489 1.00 0.00 N ATOM 393 CA PRO 1 28 8.612 -6.492 12.132 1.00 0.00 C ATOM 394 C PRO 1 28 8.004 -5.349 12.949 1.00 0.00 C ATOM 395 O PRO 1 28 7.825 -5.473 14.159 1.00 0.00 O ATOM 396 CB PRO 1 28 8.997 -7.691 12.983 1.00 0.00 C ATOM 397 CG PRO 1 28 10.506 -7.615 13.150 1.00 0.00 C ATOM 398 CD PRO 1 28 11.038 -6.613 12.138 1.00 0.00 C ATOM 0 HA PRO 1 28 7.836 -6.762 11.416 1.00 0.00 H new ATOM 0 HB2 PRO 1 28 8.495 -7.661 13.950 1.00 0.00 H new ATOM 0 HB3 PRO 1 28 8.704 -8.623 12.500 1.00 0.00 H new ATOM 0 HG2 PRO 1 28 10.763 -7.307 14.163 1.00 0.00 H new ATOM 0 HG3 PRO 1 28 10.957 -8.594 12.991 1.00 0.00 H new ATOM 0 HD2 PRO 1 28 11.614 -5.826 12.625 1.00 0.00 H new ATOM 0 HD3 PRO 1 28 11.700 -7.092 11.416 1.00 0.00 H new ATOM 406 N LYS 1 29 7.705 -4.261 12.253 1.00 0.00 N ATOM 407 CA LYS 1 29 7.122 -3.098 12.899 1.00 0.00 C ATOM 408 C LYS 1 29 7.203 -1.900 11.952 1.00 0.00 C ATOM 409 O LYS 1 29 6.448 -0.939 12.092 1.00 0.00 O ATOM 410 CB LYS 1 29 7.782 -2.852 14.258 1.00 0.00 C ATOM 411 CG LYS 1 29 7.298 -1.537 14.872 1.00 0.00 C ATOM 412 CD LYS 1 29 6.950 -1.717 16.351 1.00 0.00 C ATOM 413 CE LYS 1 29 5.438 -1.659 16.570 1.00 0.00 C ATOM 414 NZ LYS 1 29 4.812 -2.951 16.211 1.00 0.00 N ATOM 0 H LYS 1 29 7.856 -4.161 11.249 1.00 0.00 H new ATOM 0 HA LYS 1 29 6.066 -3.269 13.109 1.00 0.00 H new ATOM 0 HB2 LYS 1 29 7.554 -3.678 14.932 1.00 0.00 H new ATOM 0 HB3 LYS 1 29 8.865 -2.826 14.141 1.00 0.00 H new ATOM 0 HG2 LYS 1 29 8.071 -0.776 14.767 1.00 0.00 H new ATOM 0 HG3 LYS 1 29 6.423 -1.179 14.330 1.00 0.00 H new ATOM 0 HD2 LYS 1 29 7.336 -2.673 16.705 1.00 0.00 H new ATOM 0 HD3 LYS 1 29 7.436 -0.939 16.940 1.00 0.00 H new ATOM 0 HE2 LYS 1 29 5.224 -1.422 17.612 1.00 0.00 H new ATOM 0 HE3 LYS 1 29 5.008 -0.860 15.967 1.00 0.00 H new ATOM 0 HZ1 LYS 1 29 3.785 -2.894 16.366 1.00 0.00 H new ATOM 0 HZ2 LYS 1 29 5.000 -3.162 15.210 1.00 0.00 H new ATOM 0 HZ3 LYS 1 29 5.210 -3.706 16.805 1.00 0.00 H new ATOM 428 N GLU 1 30 8.126 -1.996 11.005 1.00 0.00 N ATOM 429 CA GLU 1 30 8.315 -0.932 10.034 1.00 0.00 C ATOM 430 C GLU 1 30 7.502 -1.216 8.770 1.00 0.00 C ATOM 431 O GLU 1 30 6.828 -0.329 8.249 1.00 0.00 O ATOM 432 CB GLU 1 30 9.798 -0.750 9.702 1.00 0.00 C ATOM 433 CG GLU 1 30 10.421 0.352 10.562 1.00 0.00 C ATOM 434 CD GLU 1 30 11.174 -0.241 11.754 1.00 0.00 C ATOM 435 OE1 GLU 1 30 12.364 -0.572 11.567 1.00 0.00 O ATOM 436 OE2 GLU 1 30 10.541 -0.350 12.827 1.00 0.00 O ATOM 0 H GLU 1 30 8.750 -2.794 10.890 1.00 0.00 H new ATOM 0 HA GLU 1 30 7.957 -0.000 10.471 1.00 0.00 H new ATOM 0 HB2 GLU 1 30 10.329 -1.688 9.866 1.00 0.00 H new ATOM 0 HB3 GLU 1 30 9.910 -0.500 8.647 1.00 0.00 H new ATOM 0 HG2 GLU 1 30 11.104 0.948 9.957 1.00 0.00 H new ATOM 0 HG3 GLU 1 30 9.641 1.025 10.919 1.00 0.00 H new ATOM 443 N CYS 1 31 7.591 -2.457 8.313 1.00 0.00 N ATOM 444 CA CYS 1 31 6.872 -2.868 7.120 1.00 0.00 C ATOM 445 C CYS 1 31 5.394 -2.517 7.305 1.00 0.00 C ATOM 446 O CYS 1 31 4.789 -1.887 6.439 1.00 0.00 O ATOM 447 CB CYS 1 31 7.071 -4.357 6.825 1.00 0.00 C ATOM 448 SG CYS 1 31 8.653 -4.770 6.003 1.00 0.00 S ATOM 0 H CYS 1 31 8.150 -3.191 8.748 1.00 0.00 H new ATOM 0 HA CYS 1 31 7.266 -2.336 6.254 1.00 0.00 H new ATOM 0 HB2 CYS 1 31 7.009 -4.910 7.762 1.00 0.00 H new ATOM 0 HB3 CYS 1 31 6.250 -4.702 6.196 1.00 0.00 H new ATOM 453 N ASN 1 32 4.856 -2.939 8.439 1.00 0.00 N ATOM 454 CA ASN 1 32 3.461 -2.677 8.749 1.00 0.00 C ATOM 455 C ASN 1 32 3.300 -1.212 9.160 1.00 0.00 C ATOM 456 O ASN 1 32 2.232 -0.804 9.615 1.00 0.00 O ATOM 457 CB ASN 1 32 2.979 -3.549 9.910 1.00 0.00 C ATOM 458 CG ASN 1 32 2.420 -4.879 9.401 1.00 0.00 C ATOM 459 OD1 ASN 1 32 1.242 -5.174 9.522 1.00 0.00 O ATOM 460 ND2 ASN 1 32 3.327 -5.663 8.826 1.00 0.00 N ATOM 0 H ASN 1 32 5.361 -3.461 9.155 1.00 0.00 H new ATOM 0 HA ASN 1 32 2.872 -2.903 7.860 1.00 0.00 H new ATOM 0 HB2 ASN 1 32 3.805 -3.736 10.596 1.00 0.00 H new ATOM 0 HB3 ASN 1 32 2.211 -3.019 10.473 1.00 0.00 H new ATOM 0 HD21 ASN 1 32 3.053 -6.572 8.454 1.00 0.00 H new ATOM 0 HD22 ASN 1 32 4.297 -5.355 8.757 1.00 0.00 H new ATOM 467 N ASN 1 33 4.379 -0.461 8.988 1.00 0.00 N ATOM 468 CA ASN 1 33 4.371 0.950 9.336 1.00 0.00 C ATOM 469 C ASN 1 33 4.342 1.786 8.055 1.00 0.00 C ATOM 470 O ASN 1 33 3.642 2.795 7.985 1.00 0.00 O ATOM 471 CB ASN 1 33 5.629 1.330 10.119 1.00 0.00 C ATOM 472 CG ASN 1 33 5.610 2.811 10.503 1.00 0.00 C ATOM 473 OD1 ASN 1 33 4.590 3.370 10.871 1.00 0.00 O ATOM 474 ND2 ASN 1 33 6.791 3.412 10.395 1.00 0.00 N ATOM 0 H ASN 1 33 5.264 -0.803 8.613 1.00 0.00 H new ATOM 0 HA ASN 1 33 3.491 1.141 9.950 1.00 0.00 H new ATOM 0 HB2 ASN 1 33 5.700 0.718 11.018 1.00 0.00 H new ATOM 0 HB3 ASN 1 33 6.513 1.118 9.518 1.00 0.00 H new ATOM 0 HD21 ASN 1 33 6.883 4.401 10.627 1.00 0.00 H new ATOM 0 HD22 ASN 1 33 7.605 2.884 10.080 1.00 0.00 H new ATOM 481 N ARG 1 34 5.110 1.337 7.074 1.00 0.00 N ATOM 482 CA ARG 1 34 5.180 2.031 5.800 1.00 0.00 C ATOM 483 C ARG 1 34 3.996 1.639 4.915 1.00 0.00 C ATOM 484 O ARG 1 34 3.451 2.474 4.196 1.00 0.00 O ATOM 485 CB ARG 1 34 6.484 1.707 5.068 1.00 0.00 C ATOM 486 CG ARG 1 34 6.874 0.241 5.264 1.00 0.00 C ATOM 487 CD ARG 1 34 8.187 0.122 6.042 1.00 0.00 C ATOM 488 NE ARG 1 34 9.310 -0.109 5.106 1.00 0.00 N ATOM 489 CZ ARG 1 34 10.117 0.856 4.649 1.00 0.00 C ATOM 490 NH1 ARG 1 34 9.932 2.125 5.036 1.00 0.00 N ATOM 491 NH2 ARG 1 34 11.112 0.553 3.803 1.00 0.00 N ATOM 0 H ARG 1 34 5.690 0.500 7.136 1.00 0.00 H new ATOM 0 HA ARG 1 34 5.146 3.101 6.004 1.00 0.00 H new ATOM 0 HB2 ARG 1 34 6.370 1.917 4.005 1.00 0.00 H new ATOM 0 HB3 ARG 1 34 7.282 2.352 5.437 1.00 0.00 H new ATOM 0 HG2 ARG 1 34 6.081 -0.281 5.799 1.00 0.00 H new ATOM 0 HG3 ARG 1 34 6.977 -0.245 4.294 1.00 0.00 H new ATOM 0 HD2 ARG 1 34 8.363 1.031 6.617 1.00 0.00 H new ATOM 0 HD3 ARG 1 34 8.123 -0.699 6.756 1.00 0.00 H new ATOM 0 HE ARG 1 34 9.480 -1.064 4.789 1.00 0.00 H new ATOM 0 HH11 ARG 1 34 9.175 2.357 5.680 1.00 0.00 H new ATOM 0 HH12 ARG 1 34 10.548 2.860 4.687 1.00 0.00 H new ATOM 0 HH21 ARG 1 34 11.254 -0.413 3.508 1.00 0.00 H new ATOM 0 HH22 ARG 1 34 11.727 1.288 3.455 1.00 0.00 H new ATOM 505 N GLY 1 35 3.632 0.367 4.998 1.00 0.00 N ATOM 506 CA GLY 1 35 2.522 -0.146 4.213 1.00 0.00 C ATOM 507 C GLY 1 35 2.833 -1.542 3.670 1.00 0.00 C ATOM 508 O GLY 1 35 2.254 -1.967 2.671 1.00 0.00 O ATOM 0 H GLY 1 35 4.086 -0.323 5.597 1.00 0.00 H new ATOM 0 HA2 GLY 1 35 1.623 -0.183 4.829 1.00 0.00 H new ATOM 0 HA3 GLY 1 35 2.313 0.532 3.385 1.00 0.00 H new ATOM 512 N CYS 1 36 3.747 -2.217 4.352 1.00 0.00 N ATOM 513 CA CYS 1 36 4.143 -3.556 3.950 1.00 0.00 C ATOM 514 C CYS 1 36 3.811 -4.518 5.093 1.00 0.00 C ATOM 515 O CYS 1 36 3.552 -4.087 6.215 1.00 0.00 O ATOM 516 CB CYS 1 36 5.622 -3.616 3.564 1.00 0.00 C ATOM 517 SG CYS 1 36 6.032 -2.826 1.965 1.00 0.00 S ATOM 0 H CYS 1 36 4.225 -1.862 5.180 1.00 0.00 H new ATOM 0 HA CYS 1 36 3.591 -3.850 3.057 1.00 0.00 H new ATOM 0 HB2 CYS 1 36 6.207 -3.138 4.350 1.00 0.00 H new ATOM 0 HB3 CYS 1 36 5.931 -4.661 3.527 1.00 0.00 H new ATOM 522 N CYS 1 37 3.829 -5.802 4.766 1.00 0.00 N ATOM 523 CA CYS 1 37 3.534 -6.829 5.751 1.00 0.00 C ATOM 524 C CYS 1 37 4.817 -7.614 6.028 1.00 0.00 C ATOM 525 O CYS 1 37 5.450 -8.120 5.103 1.00 0.00 O ATOM 526 CB CYS 1 37 2.394 -7.741 5.293 1.00 0.00 C ATOM 527 SG CYS 1 37 1.727 -8.847 6.590 1.00 0.00 S ATOM 0 H CYS 1 37 4.043 -6.154 3.833 1.00 0.00 H new ATOM 0 HA CYS 1 37 3.190 -6.362 6.674 1.00 0.00 H new ATOM 0 HB2 CYS 1 37 1.583 -7.121 4.911 1.00 0.00 H new ATOM 0 HB3 CYS 1 37 2.747 -8.351 4.462 1.00 0.00 H new ATOM 532 N PHE 1 38 5.163 -7.690 7.304 1.00 0.00 N ATOM 533 CA PHE 1 38 6.360 -8.405 7.714 1.00 0.00 C ATOM 534 C PHE 1 38 6.037 -9.858 8.068 1.00 0.00 C ATOM 535 O PHE 1 38 5.249 -10.119 8.975 1.00 0.00 O ATOM 536 CB PHE 1 38 6.900 -7.697 8.958 1.00 0.00 C ATOM 537 CG PHE 1 38 8.334 -8.086 9.322 1.00 0.00 C ATOM 538 CD1 PHE 1 38 9.381 -7.427 8.756 1.00 0.00 C ATOM 539 CD2 PHE 1 38 8.563 -9.090 10.210 1.00 0.00 C ATOM 540 CE1 PHE 1 38 10.713 -7.787 9.093 1.00 0.00 C ATOM 541 CE2 PHE 1 38 9.894 -9.450 10.547 1.00 0.00 C ATOM 542 CZ PHE 1 38 10.940 -8.792 9.982 1.00 0.00 C ATOM 0 H PHE 1 38 4.635 -7.268 8.068 1.00 0.00 H new ATOM 0 HA PHE 1 38 7.087 -8.410 6.901 1.00 0.00 H new ATOM 0 HB2 PHE 1 38 6.856 -6.620 8.798 1.00 0.00 H new ATOM 0 HB3 PHE 1 38 6.248 -7.921 9.803 1.00 0.00 H new ATOM 0 HD1 PHE 1 38 9.199 -6.630 8.050 1.00 0.00 H new ATOM 0 HD2 PHE 1 38 7.732 -9.614 10.659 1.00 0.00 H new ATOM 0 HE1 PHE 1 38 11.545 -7.264 8.644 1.00 0.00 H new ATOM 0 HE2 PHE 1 38 10.075 -10.247 11.253 1.00 0.00 H new ATOM 0 HZ PHE 1 38 11.952 -9.067 10.239 1.00 0.00 H new ATOM 552 N ASP 1 39 6.661 -10.766 7.332 1.00 0.00 N ATOM 553 CA ASP 1 39 6.450 -12.186 7.557 1.00 0.00 C ATOM 554 C ASP 1 39 7.291 -12.639 8.752 1.00 0.00 C ATOM 555 O ASP 1 39 6.788 -12.731 9.870 1.00 0.00 O ATOM 556 CB ASP 1 39 6.878 -13.006 6.339 1.00 0.00 C ATOM 557 CG ASP 1 39 6.729 -14.521 6.494 1.00 0.00 C ATOM 558 OD1 ASP 1 39 6.570 -14.959 7.654 1.00 0.00 O ATOM 559 OD2 ASP 1 39 6.778 -15.206 5.449 1.00 0.00 O ATOM 0 H ASP 1 39 7.313 -10.546 6.579 1.00 0.00 H new ATOM 0 HA ASP 1 39 5.388 -12.344 7.742 1.00 0.00 H new ATOM 0 HB2 ASP 1 39 6.291 -12.685 5.479 1.00 0.00 H new ATOM 0 HB3 ASP 1 39 7.921 -12.780 6.116 1.00 0.00 H new ATOM 564 N SER 1 40 8.558 -12.910 8.474 1.00 0.00 N ATOM 565 CA SER 1 40 9.474 -13.352 9.512 1.00 0.00 C ATOM 566 C SER 1 40 9.344 -14.862 9.716 1.00 0.00 C ATOM 567 O SER 1 40 10.315 -15.531 10.069 1.00 0.00 O ATOM 568 CB SER 1 40 9.214 -12.615 10.827 1.00 0.00 C ATOM 569 OG SER 1 40 10.409 -12.424 11.578 1.00 0.00 O ATOM 0 H SER 1 40 8.972 -12.832 7.545 1.00 0.00 H new ATOM 0 HA SER 1 40 10.490 -13.121 9.192 1.00 0.00 H new ATOM 0 HB2 SER 1 40 8.760 -11.647 10.616 1.00 0.00 H new ATOM 0 HB3 SER 1 40 8.498 -13.180 11.423 1.00 0.00 H new ATOM 0 HG SER 1 40 10.218 -11.867 12.361 1.00 0.00 H new ATOM 575 N ARG 1 41 8.136 -15.357 9.486 1.00 0.00 N ATOM 576 CA ARG 1 41 7.867 -16.777 9.640 1.00 0.00 C ATOM 577 C ARG 1 41 8.695 -17.586 8.640 1.00 0.00 C ATOM 578 O ARG 1 41 9.217 -18.648 8.975 1.00 0.00 O ATOM 579 CB ARG 1 41 6.383 -17.083 9.430 1.00 0.00 C ATOM 580 CG ARG 1 41 5.505 -16.056 10.148 1.00 0.00 C ATOM 581 CD ARG 1 41 4.294 -16.729 10.798 1.00 0.00 C ATOM 582 NE ARG 1 41 4.485 -16.810 12.262 1.00 0.00 N ATOM 583 CZ ARG 1 41 4.242 -15.800 13.109 1.00 0.00 C ATOM 584 NH1 ARG 1 41 3.797 -14.626 12.641 1.00 0.00 N ATOM 585 NH2 ARG 1 41 4.443 -15.965 14.424 1.00 0.00 N ATOM 0 H ARG 1 41 7.333 -14.800 9.194 1.00 0.00 H new ATOM 0 HA ARG 1 41 8.143 -17.058 10.656 1.00 0.00 H new ATOM 0 HB2 ARG 1 41 6.155 -17.080 8.364 1.00 0.00 H new ATOM 0 HB3 ARG 1 41 6.158 -18.083 9.802 1.00 0.00 H new ATOM 0 HG2 ARG 1 41 6.091 -15.540 10.909 1.00 0.00 H new ATOM 0 HG3 ARG 1 41 5.168 -15.300 9.438 1.00 0.00 H new ATOM 0 HD2 ARG 1 41 3.389 -16.165 10.572 1.00 0.00 H new ATOM 0 HD3 ARG 1 41 4.158 -17.728 10.385 1.00 0.00 H new ATOM 0 HE ARG 1 41 4.823 -17.690 12.652 1.00 0.00 H new ATOM 0 HH11 ARG 1 41 3.643 -14.501 11.640 1.00 0.00 H new ATOM 0 HH12 ARG 1 41 3.612 -13.857 13.285 1.00 0.00 H new ATOM 0 HH21 ARG 1 41 4.781 -16.859 14.780 1.00 0.00 H new ATOM 0 HH22 ARG 1 41 4.258 -15.196 15.069 1.00 0.00 H new ATOM 599 N ILE 1 42 8.787 -17.053 7.430 1.00 0.00 N ATOM 600 CA ILE 1 42 9.541 -17.713 6.377 1.00 0.00 C ATOM 601 C ILE 1 42 10.662 -16.786 5.901 1.00 0.00 C ATOM 602 O ILE 1 42 10.410 -15.827 5.172 1.00 0.00 O ATOM 603 CB ILE 1 42 8.607 -18.175 5.257 1.00 0.00 C ATOM 604 CG1 ILE 1 42 7.229 -18.541 5.810 1.00 0.00 C ATOM 605 CG2 ILE 1 42 9.231 -19.325 4.463 1.00 0.00 C ATOM 606 CD1 ILE 1 42 6.632 -19.730 5.052 1.00 0.00 C ATOM 0 H ILE 1 42 8.352 -16.172 7.155 1.00 0.00 H new ATOM 0 HA ILE 1 42 10.015 -18.618 6.758 1.00 0.00 H new ATOM 0 HB ILE 1 42 8.466 -17.345 4.564 1.00 0.00 H new ATOM 0 HG12 ILE 1 42 7.311 -18.785 6.869 1.00 0.00 H new ATOM 0 HG13 ILE 1 42 6.562 -17.683 5.731 1.00 0.00 H new ATOM 0 HG21 ILE 1 42 8.547 -19.635 3.673 1.00 0.00 H new ATOM 0 HG22 ILE 1 42 10.170 -18.994 4.020 1.00 0.00 H new ATOM 0 HG23 ILE 1 42 9.421 -20.166 5.129 1.00 0.00 H new ATOM 0 HD11 ILE 1 42 5.652 -19.970 5.465 1.00 0.00 H new ATOM 0 HD12 ILE 1 42 6.529 -19.474 3.997 1.00 0.00 H new ATOM 0 HD13 ILE 1 42 7.290 -20.593 5.153 1.00 0.00 H new ATOM 618 N PRO 1 43 11.906 -17.112 6.343 1.00 0.00 N ATOM 619 CA PRO 1 43 13.064 -16.319 5.970 1.00 0.00 C ATOM 620 C PRO 1 43 13.471 -16.591 4.520 1.00 0.00 C ATOM 621 O PRO 1 43 14.365 -15.935 3.989 1.00 0.00 O ATOM 622 CB PRO 1 43 14.142 -16.702 6.972 1.00 0.00 C ATOM 623 CG PRO 1 43 13.700 -18.025 7.574 1.00 0.00 C ATOM 624 CD PRO 1 43 12.240 -18.239 7.208 1.00 0.00 C ATOM 0 HA PRO 1 43 12.869 -15.247 6.005 1.00 0.00 H new ATOM 0 HB2 PRO 1 43 15.112 -16.800 6.484 1.00 0.00 H new ATOM 0 HB3 PRO 1 43 14.248 -15.938 7.742 1.00 0.00 H new ATOM 0 HG2 PRO 1 43 14.313 -18.842 7.193 1.00 0.00 H new ATOM 0 HG3 PRO 1 43 13.824 -18.012 8.657 1.00 0.00 H new ATOM 0 HD2 PRO 1 43 12.096 -19.189 6.694 1.00 0.00 H new ATOM 0 HD3 PRO 1 43 11.608 -18.258 8.096 1.00 0.00 H new ATOM 632 N GLY 1 44 12.794 -17.561 3.922 1.00 0.00 N ATOM 633 CA GLY 1 44 13.075 -17.928 2.544 1.00 0.00 C ATOM 634 C GLY 1 44 12.189 -17.141 1.577 1.00 0.00 C ATOM 635 O GLY 1 44 12.349 -17.242 0.361 1.00 0.00 O ATOM 0 H GLY 1 44 12.053 -18.103 4.366 1.00 0.00 H new ATOM 0 HA2 GLY 1 44 14.124 -17.737 2.319 1.00 0.00 H new ATOM 0 HA3 GLY 1 44 12.909 -18.997 2.407 1.00 0.00 H new ATOM 639 N VAL 1 45 11.274 -16.375 2.152 1.00 0.00 N ATOM 640 CA VAL 1 45 10.363 -15.571 1.355 1.00 0.00 C ATOM 641 C VAL 1 45 10.520 -14.098 1.739 1.00 0.00 C ATOM 642 O VAL 1 45 11.373 -13.754 2.556 1.00 0.00 O ATOM 643 CB VAL 1 45 8.930 -16.082 1.522 1.00 0.00 C ATOM 644 CG1 VAL 1 45 8.910 -17.597 1.732 1.00 0.00 C ATOM 645 CG2 VAL 1 45 8.222 -15.361 2.670 1.00 0.00 C ATOM 0 H VAL 1 45 11.144 -16.294 3.160 1.00 0.00 H new ATOM 0 HA VAL 1 45 10.604 -15.659 0.296 1.00 0.00 H new ATOM 0 HB VAL 1 45 8.387 -15.863 0.603 1.00 0.00 H new ATOM 0 HG11 VAL 1 45 7.880 -17.935 1.848 1.00 0.00 H new ATOM 0 HG12 VAL 1 45 9.359 -18.090 0.869 1.00 0.00 H new ATOM 0 HG13 VAL 1 45 9.477 -17.848 2.629 1.00 0.00 H new ATOM 0 HG21 VAL 1 45 7.206 -15.743 2.768 1.00 0.00 H new ATOM 0 HG22 VAL 1 45 8.765 -15.535 3.599 1.00 0.00 H new ATOM 0 HG23 VAL 1 45 8.190 -14.291 2.463 1.00 0.00 H new ATOM 655 N PRO 1 46 9.664 -13.247 1.114 1.00 0.00 N ATOM 656 CA PRO 1 46 9.700 -11.819 1.381 1.00 0.00 C ATOM 657 C PRO 1 46 9.078 -11.500 2.743 1.00 0.00 C ATOM 658 O PRO 1 46 7.901 -11.774 2.971 1.00 0.00 O ATOM 659 CB PRO 1 46 8.951 -11.182 0.223 1.00 0.00 C ATOM 660 CG PRO 1 46 8.126 -12.296 -0.403 1.00 0.00 C ATOM 661 CD PRO 1 46 8.643 -13.618 0.140 1.00 0.00 C ATOM 0 HA PRO 1 46 10.716 -11.429 1.443 1.00 0.00 H new ATOM 0 HB2 PRO 1 46 8.312 -10.371 0.571 1.00 0.00 H new ATOM 0 HB3 PRO 1 46 9.643 -10.754 -0.502 1.00 0.00 H new ATOM 0 HG2 PRO 1 46 7.070 -12.171 -0.162 1.00 0.00 H new ATOM 0 HG3 PRO 1 46 8.211 -12.270 -1.489 1.00 0.00 H new ATOM 0 HD2 PRO 1 46 7.843 -14.194 0.605 1.00 0.00 H new ATOM 0 HD3 PRO 1 46 9.061 -14.236 -0.655 1.00 0.00 H new ATOM 669 N TRP 1 47 9.897 -10.926 3.612 1.00 0.00 N ATOM 670 CA TRP 1 47 9.443 -10.567 4.945 1.00 0.00 C ATOM 671 C TRP 1 47 8.929 -9.127 4.898 1.00 0.00 C ATOM 672 O TRP 1 47 8.974 -8.415 5.899 1.00 0.00 O ATOM 673 CB TRP 1 47 10.553 -10.773 5.977 1.00 0.00 C ATOM 674 CG TRP 1 47 11.739 -11.590 5.460 1.00 0.00 C ATOM 675 CD1 TRP 1 47 11.815 -12.916 5.288 1.00 0.00 C ATOM 676 CD2 TRP 1 47 13.025 -11.075 5.054 1.00 0.00 C ATOM 677 NE1 TRP 1 47 13.051 -13.293 4.802 1.00 0.00 N ATOM 678 CE2 TRP 1 47 13.810 -12.138 4.655 1.00 0.00 C ATOM 679 CE3 TRP 1 47 13.510 -9.756 5.025 1.00 0.00 C ATOM 680 CZ2 TRP 1 47 15.125 -11.992 4.199 1.00 0.00 C ATOM 681 CZ3 TRP 1 47 14.826 -9.626 4.566 1.00 0.00 C ATOM 682 CH2 TRP 1 47 15.629 -10.685 4.161 1.00 0.00 C ATOM 0 H TRP 1 47 10.873 -10.701 3.419 1.00 0.00 H new ATOM 0 HA TRP 1 47 8.628 -11.217 5.262 1.00 0.00 H new ATOM 0 HB2 TRP 1 47 10.913 -9.799 6.308 1.00 0.00 H new ATOM 0 HB3 TRP 1 47 10.135 -11.272 6.851 1.00 0.00 H new ATOM 0 HD1 TRP 1 47 11.011 -13.604 5.503 1.00 0.00 H new ATOM 0 HE1 TRP 1 47 13.352 -14.244 4.590 1.00 0.00 H new ATOM 0 HE3 TRP 1 47 12.914 -8.909 5.333 1.00 0.00 H new ATOM 0 HZ2 TRP 1 47 15.719 -12.840 3.893 1.00 0.00 H new ATOM 0 HZ3 TRP 1 47 15.247 -8.632 4.524 1.00 0.00 H new ATOM 0 HH2 TRP 1 47 16.637 -10.502 3.819 1.00 0.00 H new ATOM 693 N CYS 1 48 8.453 -8.740 3.723 1.00 0.00 N ATOM 694 CA CYS 1 48 7.931 -7.398 3.531 1.00 0.00 C ATOM 695 C CYS 1 48 7.189 -7.357 2.194 1.00 0.00 C ATOM 696 O CYS 1 48 7.813 -7.303 1.135 1.00 0.00 O ATOM 697 CB CYS 1 48 9.040 -6.345 3.602 1.00 0.00 C ATOM 698 SG CYS 1 48 8.474 -4.664 4.052 1.00 0.00 S ATOM 0 H CYS 1 48 8.418 -9.333 2.894 1.00 0.00 H new ATOM 0 HA CYS 1 48 7.238 -7.156 4.336 1.00 0.00 H new ATOM 0 HB2 CYS 1 48 9.784 -6.670 4.330 1.00 0.00 H new ATOM 0 HB3 CYS 1 48 9.540 -6.298 2.634 1.00 0.00 H new ATOM 703 N PHE 1 49 5.868 -7.384 2.286 1.00 0.00 N ATOM 704 CA PHE 1 49 5.034 -7.350 1.097 1.00 0.00 C ATOM 705 C PHE 1 49 3.821 -6.442 1.304 1.00 0.00 C ATOM 706 O PHE 1 49 3.755 -5.700 2.283 1.00 0.00 O ATOM 707 CB PHE 1 49 4.550 -8.780 0.850 1.00 0.00 C ATOM 708 CG PHE 1 49 4.496 -9.645 2.110 1.00 0.00 C ATOM 709 CD1 PHE 1 49 5.641 -9.945 2.779 1.00 0.00 C ATOM 710 CD2 PHE 1 49 3.302 -10.116 2.561 1.00 0.00 C ATOM 711 CE1 PHE 1 49 5.591 -10.748 3.948 1.00 0.00 C ATOM 712 CE2 PHE 1 49 3.252 -10.920 3.730 1.00 0.00 C ATOM 713 CZ PHE 1 49 4.398 -11.219 4.400 1.00 0.00 C ATOM 0 H PHE 1 49 5.354 -7.429 3.166 1.00 0.00 H new ATOM 0 HA PHE 1 49 5.604 -6.962 0.253 1.00 0.00 H new ATOM 0 HB2 PHE 1 49 3.556 -8.744 0.403 1.00 0.00 H new ATOM 0 HB3 PHE 1 49 5.209 -9.255 0.123 1.00 0.00 H new ATOM 0 HD1 PHE 1 49 6.589 -9.572 2.421 1.00 0.00 H new ATOM 0 HD2 PHE 1 49 2.392 -9.878 2.030 1.00 0.00 H new ATOM 0 HE1 PHE 1 49 6.501 -10.985 4.479 1.00 0.00 H new ATOM 0 HE2 PHE 1 49 2.304 -11.294 4.088 1.00 0.00 H new ATOM 0 HZ PHE 1 49 4.360 -11.830 5.290 1.00 0.00 H new ATOM 723 N LYS 1 50 2.888 -6.530 0.366 1.00 0.00 N ATOM 724 CA LYS 1 50 1.681 -5.725 0.433 1.00 0.00 C ATOM 725 C LYS 1 50 0.458 -6.641 0.337 1.00 0.00 C ATOM 726 O LYS 1 50 -0.262 -6.617 -0.659 1.00 0.00 O ATOM 727 CB LYS 1 50 1.709 -4.625 -0.629 1.00 0.00 C ATOM 728 CG LYS 1 50 2.279 -5.151 -1.949 1.00 0.00 C ATOM 729 CD LYS 1 50 3.744 -4.741 -2.115 1.00 0.00 C ATOM 730 CE LYS 1 50 3.871 -3.230 -2.320 1.00 0.00 C ATOM 731 NZ LYS 1 50 3.505 -2.863 -3.707 1.00 0.00 N ATOM 0 H LYS 1 50 2.945 -7.147 -0.444 1.00 0.00 H new ATOM 0 HA LYS 1 50 1.621 -5.208 1.391 1.00 0.00 H new ATOM 0 HB2 LYS 1 50 0.700 -4.245 -0.790 1.00 0.00 H new ATOM 0 HB3 LYS 1 50 2.312 -3.789 -0.276 1.00 0.00 H new ATOM 0 HG2 LYS 1 50 2.196 -6.237 -1.978 1.00 0.00 H new ATOM 0 HG3 LYS 1 50 1.693 -4.764 -2.782 1.00 0.00 H new ATOM 0 HD2 LYS 1 50 4.311 -5.041 -1.234 1.00 0.00 H new ATOM 0 HD3 LYS 1 50 4.178 -5.265 -2.967 1.00 0.00 H new ATOM 0 HE2 LYS 1 50 3.225 -2.706 -1.616 1.00 0.00 H new ATOM 0 HE3 LYS 1 50 4.893 -2.913 -2.111 1.00 0.00 H new ATOM 0 HZ1 LYS 1 50 3.677 -1.848 -3.854 1.00 0.00 H new ATOM 0 HZ2 LYS 1 50 4.082 -3.413 -4.375 1.00 0.00 H new ATOM 0 HZ3 LYS 1 50 2.498 -3.070 -3.867 1.00 0.00 H new ATOM 745 N PRO 1 51 0.256 -7.446 1.413 1.00 0.00 N ATOM 746 CA PRO 1 51 -0.866 -8.367 1.461 1.00 0.00 C ATOM 747 C PRO 1 51 -2.176 -7.622 1.729 1.00 0.00 C ATOM 748 O PRO 1 51 -2.766 -7.048 0.815 1.00 0.00 O ATOM 749 CB PRO 1 51 -0.515 -9.362 2.554 1.00 0.00 C ATOM 750 CG PRO 1 51 0.566 -8.696 3.391 1.00 0.00 C ATOM 751 CD PRO 1 51 1.089 -7.501 2.612 1.00 0.00 C ATOM 0 HA PRO 1 51 -1.029 -8.880 0.513 1.00 0.00 H new ATOM 0 HB2 PRO 1 51 -1.388 -9.600 3.161 1.00 0.00 H new ATOM 0 HB3 PRO 1 51 -0.158 -10.300 2.129 1.00 0.00 H new ATOM 0 HG2 PRO 1 51 0.163 -8.378 4.352 1.00 0.00 H new ATOM 0 HG3 PRO 1 51 1.373 -9.398 3.601 1.00 0.00 H new ATOM 0 HD2 PRO 1 51 1.007 -6.583 3.193 1.00 0.00 H new ATOM 0 HD3 PRO 1 51 2.142 -7.624 2.357 1.00 0.00 H new ATOM 759 N LEU 1 52 -2.591 -7.655 2.987 1.00 0.00 N ATOM 760 CA LEU 1 52 -3.819 -6.991 3.387 1.00 0.00 C ATOM 761 C LEU 1 52 -3.498 -5.566 3.845 1.00 0.00 C ATOM 762 O LEU 1 52 -4.104 -5.062 4.789 1.00 0.00 O ATOM 763 CB LEU 1 52 -4.561 -7.821 4.436 1.00 0.00 C ATOM 764 CG LEU 1 52 -4.174 -7.560 5.894 1.00 0.00 C ATOM 765 CD1 LEU 1 52 -5.326 -6.903 6.658 1.00 0.00 C ATOM 766 CD2 LEU 1 52 -3.696 -8.845 6.573 1.00 0.00 C ATOM 0 H LEU 1 52 -2.098 -8.131 3.742 1.00 0.00 H new ATOM 0 HA LEU 1 52 -4.500 -6.909 2.540 1.00 0.00 H new ATOM 0 HB2 LEU 1 52 -5.630 -7.638 4.326 1.00 0.00 H new ATOM 0 HB3 LEU 1 52 -4.395 -8.876 4.220 1.00 0.00 H new ATOM 0 HG LEU 1 52 -3.339 -6.860 5.905 1.00 0.00 H new ATOM 0 HD11 LEU 1 52 -5.025 -6.728 7.691 1.00 0.00 H new ATOM 0 HD12 LEU 1 52 -5.579 -5.952 6.188 1.00 0.00 H new ATOM 0 HD13 LEU 1 52 -6.196 -7.560 6.640 1.00 0.00 H new ATOM 0 HD21 LEU 1 52 -3.427 -8.632 7.608 1.00 0.00 H new ATOM 0 HD22 LEU 1 52 -4.494 -9.587 6.551 1.00 0.00 H new ATOM 0 HD23 LEU 1 52 -2.825 -9.233 6.045 1.00 0.00 H new ATOM 778 N GLN 1 53 -2.544 -4.959 3.154 1.00 0.00 N ATOM 779 CA GLN 1 53 -2.135 -3.603 3.478 1.00 0.00 C ATOM 780 C GLN 1 53 -3.337 -2.658 3.427 1.00 0.00 C ATOM 781 O GLN 1 53 -3.330 -1.602 4.058 1.00 0.00 O ATOM 782 CB GLN 1 53 -1.023 -3.126 2.541 1.00 0.00 C ATOM 783 CG GLN 1 53 0.224 -4.002 2.680 1.00 0.00 C ATOM 784 CD GLN 1 53 0.740 -3.995 4.121 1.00 0.00 C ATOM 785 OE1 GLN 1 53 1.113 -5.014 4.678 1.00 0.00 O ATOM 786 NE2 GLN 1 53 0.739 -2.793 4.690 1.00 0.00 N ATOM 0 H GLN 1 53 -2.043 -5.381 2.372 1.00 0.00 H new ATOM 0 HA GLN 1 53 -1.737 -3.598 4.493 1.00 0.00 H new ATOM 0 HB2 GLN 1 53 -1.376 -3.150 1.510 1.00 0.00 H new ATOM 0 HB3 GLN 1 53 -0.771 -2.090 2.767 1.00 0.00 H new ATOM 0 HG2 GLN 1 53 -0.009 -5.023 2.378 1.00 0.00 H new ATOM 0 HG3 GLN 1 53 1.003 -3.641 2.009 1.00 0.00 H new ATOM 0 HE21 GLN 1 53 0.413 -1.981 4.166 1.00 0.00 H new ATOM 0 HE22 GLN 1 53 1.064 -2.683 5.651 1.00 0.00 H new ATOM 795 N GLU 1 54 -4.342 -3.072 2.669 1.00 0.00 N ATOM 796 CA GLU 1 54 -5.549 -2.276 2.526 1.00 0.00 C ATOM 797 C GLU 1 54 -5.979 -1.714 3.884 1.00 0.00 C ATOM 798 O GLU 1 54 -6.672 -0.701 3.950 1.00 0.00 O ATOM 799 CB GLU 1 54 -6.675 -3.096 1.893 1.00 0.00 C ATOM 800 CG GLU 1 54 -7.444 -3.884 2.954 1.00 0.00 C ATOM 801 CD GLU 1 54 -8.780 -3.210 3.277 1.00 0.00 C ATOM 802 OE1 GLU 1 54 -8.734 -2.140 3.922 1.00 0.00 O ATOM 803 OE2 GLU 1 54 -9.816 -3.781 2.872 1.00 0.00 O ATOM 0 H GLU 1 54 -4.345 -3.949 2.147 1.00 0.00 H new ATOM 0 HA GLU 1 54 -5.332 -1.441 1.860 1.00 0.00 H new ATOM 0 HB2 GLU 1 54 -7.358 -2.433 1.362 1.00 0.00 H new ATOM 0 HB3 GLU 1 54 -6.259 -3.783 1.156 1.00 0.00 H new ATOM 0 HG2 GLU 1 54 -7.621 -4.900 2.600 1.00 0.00 H new ATOM 0 HG3 GLU 1 54 -6.844 -3.962 3.860 1.00 0.00 H new ATOM 810 N ALA 1 55 -5.547 -2.398 4.934 1.00 0.00 N ATOM 811 CA ALA 1 55 -5.878 -1.980 6.286 1.00 0.00 C ATOM 812 C ALA 1 55 -5.709 -0.464 6.401 1.00 0.00 C ATOM 813 O ALA 1 55 -6.683 0.258 6.616 1.00 0.00 O ATOM 814 CB ALA 1 55 -5.002 -2.741 7.284 1.00 0.00 C ATOM 0 H ALA 1 55 -4.971 -3.238 4.876 1.00 0.00 H new ATOM 0 HA ALA 1 55 -6.917 -2.215 6.518 1.00 0.00 H new ATOM 0 HB1 ALA 1 55 -5.250 -2.428 8.298 1.00 0.00 H new ATOM 0 HB2 ALA 1 55 -5.179 -3.812 7.181 1.00 0.00 H new ATOM 0 HB3 ALA 1 55 -3.952 -2.526 7.084 1.00 0.00 H new ATOM 820 N GLU 1 56 -4.469 -0.025 6.255 1.00 0.00 N ATOM 821 CA GLU 1 56 -4.161 1.393 6.340 1.00 0.00 C ATOM 822 C GLU 1 56 -3.521 1.877 5.037 1.00 0.00 C ATOM 823 O GLU 1 56 -2.893 2.934 5.004 1.00 0.00 O ATOM 824 CB GLU 1 56 -3.254 1.686 7.537 1.00 0.00 C ATOM 825 CG GLU 1 56 -4.079 2.031 8.778 1.00 0.00 C ATOM 826 CD GLU 1 56 -3.302 1.720 10.058 1.00 0.00 C ATOM 827 OE1 GLU 1 56 -3.319 0.536 10.460 1.00 0.00 O ATOM 828 OE2 GLU 1 56 -2.708 2.673 10.607 1.00 0.00 O ATOM 0 H GLU 1 56 -3.664 -0.626 6.078 1.00 0.00 H new ATOM 0 HA GLU 1 56 -5.093 1.938 6.489 1.00 0.00 H new ATOM 0 HB2 GLU 1 56 -2.626 0.819 7.743 1.00 0.00 H new ATOM 0 HB3 GLU 1 56 -2.586 2.514 7.298 1.00 0.00 H new ATOM 0 HG2 GLU 1 56 -4.347 3.087 8.759 1.00 0.00 H new ATOM 0 HG3 GLU 1 56 -5.011 1.466 8.768 1.00 0.00 H new ATOM 835 N CYS 1 57 -3.703 1.080 3.994 1.00 0.00 N ATOM 836 CA CYS 1 57 -3.151 1.414 2.692 1.00 0.00 C ATOM 837 C CYS 1 57 -4.257 2.059 1.854 1.00 0.00 C ATOM 838 O CYS 1 57 -4.383 3.282 1.822 1.00 0.00 O ATOM 839 CB CYS 1 57 -2.553 0.187 2.000 1.00 0.00 C ATOM 840 SG CYS 1 57 -1.980 0.477 0.286 1.00 0.00 S ATOM 0 H CYS 1 57 -4.225 0.204 4.024 1.00 0.00 H new ATOM 0 HA CYS 1 57 -2.328 2.119 2.812 1.00 0.00 H new ATOM 0 HB2 CYS 1 57 -1.713 -0.174 2.593 1.00 0.00 H new ATOM 0 HB3 CYS 1 57 -3.300 -0.607 1.989 1.00 0.00 H new ATOM 845 N THR 1 58 -5.029 1.207 1.194 1.00 0.00 N ATOM 846 CA THR 1 58 -6.119 1.679 0.357 1.00 0.00 C ATOM 847 C THR 1 58 -6.880 2.807 1.059 1.00 0.00 C ATOM 848 O THR 1 58 -7.483 3.655 0.403 1.00 0.00 O ATOM 849 CB THR 1 58 -7.001 0.479 0.008 1.00 0.00 C ATOM 850 OG1 THR 1 58 -7.832 0.954 -1.048 1.00 0.00 O ATOM 851 CG2 THR 1 58 -7.984 0.128 1.127 1.00 0.00 C ATOM 0 H THR 1 58 -4.921 0.193 1.222 1.00 0.00 H new ATOM 0 HA THR 1 58 -5.746 2.109 -0.573 1.00 0.00 H new ATOM 0 HB THR 1 58 -6.370 -0.384 -0.204 1.00 0.00 H new ATOM 0 HG1 THR 1 58 -8.694 0.488 -1.021 1.00 0.00 H new ATOM 0 HG21 THR 1 58 -8.585 -0.730 0.827 1.00 0.00 H new ATOM 0 HG22 THR 1 58 -7.431 -0.115 2.034 1.00 0.00 H new ATOM 0 HG23 THR 1 58 -8.637 0.979 1.318 1.00 0.00 H new ATOM 859 N PHE 1 59 -6.826 2.780 2.382 1.00 0.00 N ATOM 860 CA PHE 1 59 -7.502 3.790 3.179 1.00 0.00 C ATOM 861 C PHE 1 59 -7.533 5.134 2.449 1.00 0.00 C ATOM 862 O PHE 1 59 -8.152 6.087 2.922 1.00 0.00 O ATOM 863 CB PHE 1 59 -6.704 3.945 4.475 1.00 0.00 C ATOM 864 CG PHE 1 59 -7.444 4.711 5.574 1.00 0.00 C ATOM 865 CD1 PHE 1 59 -8.245 4.044 6.446 1.00 0.00 C ATOM 866 CD2 PHE 1 59 -7.300 6.060 5.677 1.00 0.00 C ATOM 867 CE1 PHE 1 59 -8.931 4.756 7.466 1.00 0.00 C ATOM 868 CE2 PHE 1 59 -7.986 6.771 6.697 1.00 0.00 C ATOM 869 CZ PHE 1 59 -8.787 6.104 7.569 1.00 0.00 C ATOM 0 H PHE 1 59 -6.325 2.075 2.922 1.00 0.00 H new ATOM 0 HA PHE 1 59 -8.531 3.486 3.369 1.00 0.00 H new ATOM 0 HB2 PHE 1 59 -6.443 2.955 4.849 1.00 0.00 H new ATOM 0 HB3 PHE 1 59 -5.769 4.460 4.254 1.00 0.00 H new ATOM 0 HD1 PHE 1 59 -8.360 2.973 6.364 1.00 0.00 H new ATOM 0 HD2 PHE 1 59 -6.664 6.590 4.983 1.00 0.00 H new ATOM 0 HE1 PHE 1 59 -9.567 4.226 8.160 1.00 0.00 H new ATOM 0 HE2 PHE 1 59 -7.871 7.842 6.780 1.00 0.00 H new ATOM 0 HZ PHE 1 59 -9.309 6.645 8.344 1.00 0.00 H new TER 879 PHE 1 59 ATOM 880 N GLU 2 1 -22.608 -0.324 0.380 1.00 0.00 N ATOM 881 CA GLU 2 1 -21.269 -0.481 -0.164 1.00 0.00 C ATOM 882 C GLU 2 1 -20.730 0.867 -0.645 1.00 0.00 C ATOM 883 O GLU 2 1 -20.729 1.148 -1.843 1.00 0.00 O ATOM 884 CB GLU 2 1 -21.255 -1.512 -1.295 1.00 0.00 C ATOM 885 CG GLU 2 1 -21.505 -2.922 -0.755 1.00 0.00 C ATOM 886 CD GLU 2 1 -22.796 -3.509 -1.328 1.00 0.00 C ATOM 887 OE1 GLU 2 1 -23.761 -2.726 -1.471 1.00 0.00 O ATOM 888 OE2 GLU 2 1 -22.789 -4.726 -1.613 1.00 0.00 O ATOM 0 H1 GLU 2 1 -22.588 -0.493 1.406 1.00 0.00 H new ATOM 0 H2 GLU 2 1 -22.947 0.642 0.195 1.00 0.00 H new ATOM 0 H3 GLU 2 1 -23.248 -1.008 -0.071 1.00 0.00 H new ATOM 0 HA GLU 2 1 -20.617 -0.849 0.628 1.00 0.00 H new ATOM 0 HB2 GLU 2 1 -22.018 -1.260 -2.031 1.00 0.00 H new ATOM 0 HB3 GLU 2 1 -20.294 -1.481 -1.809 1.00 0.00 H new ATOM 0 HG2 GLU 2 1 -20.664 -3.567 -1.010 1.00 0.00 H new ATOM 0 HG3 GLU 2 1 -21.566 -2.893 0.333 1.00 0.00 H new ATOM 895 N GLU 2 2 -20.285 1.666 0.313 1.00 0.00 N ATOM 896 CA GLU 2 2 -19.744 2.979 0.003 1.00 0.00 C ATOM 897 C GLU 2 2 -18.260 2.870 -0.354 1.00 0.00 C ATOM 898 O GLU 2 2 -17.424 3.546 0.244 1.00 0.00 O ATOM 899 CB GLU 2 2 -19.959 3.949 1.164 1.00 0.00 C ATOM 900 CG GLU 2 2 -21.443 4.288 1.329 1.00 0.00 C ATOM 901 CD GLU 2 2 -21.742 5.701 0.823 1.00 0.00 C ATOM 902 OE1 GLU 2 2 -21.380 6.652 1.550 1.00 0.00 O ATOM 903 OE2 GLU 2 2 -22.325 5.798 -0.278 1.00 0.00 O ATOM 0 H GLU 2 2 -20.288 1.430 1.305 1.00 0.00 H new ATOM 0 HA GLU 2 2 -20.277 3.376 -0.861 1.00 0.00 H new ATOM 0 HB2 GLU 2 2 -19.578 3.509 2.086 1.00 0.00 H new ATOM 0 HB3 GLU 2 2 -19.391 4.863 0.989 1.00 0.00 H new ATOM 0 HG2 GLU 2 2 -22.048 3.566 0.781 1.00 0.00 H new ATOM 0 HG3 GLU 2 2 -21.724 4.207 2.379 1.00 0.00 H new ATOM 910 N TYR 2 3 -17.978 2.014 -1.325 1.00 0.00 N ATOM 911 CA TYR 2 3 -16.609 1.808 -1.768 1.00 0.00 C ATOM 912 C TYR 2 3 -16.249 2.772 -2.900 1.00 0.00 C ATOM 913 O TYR 2 3 -16.110 2.358 -4.051 1.00 0.00 O ATOM 914 CB TYR 2 3 -16.547 0.374 -2.294 1.00 0.00 C ATOM 915 CG TYR 2 3 -16.239 -0.671 -1.221 1.00 0.00 C ATOM 916 CD1 TYR 2 3 -17.183 -0.976 -0.263 1.00 0.00 C ATOM 917 CD2 TYR 2 3 -15.014 -1.309 -1.211 1.00 0.00 C ATOM 918 CE1 TYR 2 3 -16.893 -1.960 0.749 1.00 0.00 C ATOM 919 CE2 TYR 2 3 -14.724 -2.293 -0.200 1.00 0.00 C ATOM 920 CZ TYR 2 3 -15.678 -2.570 0.729 1.00 0.00 C ATOM 921 OH TYR 2 3 -15.403 -3.498 1.684 1.00 0.00 O ATOM 0 H TYR 2 3 -18.674 1.455 -1.818 1.00 0.00 H new ATOM 0 HA TYR 2 3 -15.910 1.982 -0.950 1.00 0.00 H new ATOM 0 HB2 TYR 2 3 -17.500 0.128 -2.762 1.00 0.00 H new ATOM 0 HB3 TYR 2 3 -15.786 0.316 -3.072 1.00 0.00 H new ATOM 0 HD1 TYR 2 3 -18.141 -0.477 -0.271 1.00 0.00 H new ATOM 0 HD2 TYR 2 3 -14.274 -1.070 -1.961 1.00 0.00 H new ATOM 0 HE1 TYR 2 3 -17.623 -2.207 1.505 1.00 0.00 H new ATOM 0 HE2 TYR 2 3 -13.770 -2.800 -0.180 1.00 0.00 H new ATOM 0 HH TYR 2 3 -14.500 -3.852 1.546 1.00 0.00 H new ATOM 931 N VAL 2 4 -16.108 4.038 -2.535 1.00 0.00 N ATOM 932 CA VAL 2 4 -15.766 5.062 -3.507 1.00 0.00 C ATOM 933 C VAL 2 4 -14.418 5.683 -3.135 1.00 0.00 C ATOM 934 O VAL 2 4 -13.514 5.756 -3.965 1.00 0.00 O ATOM 935 CB VAL 2 4 -16.894 6.093 -3.598 1.00 0.00 C ATOM 936 CG1 VAL 2 4 -17.586 6.270 -2.246 1.00 0.00 C ATOM 937 CG2 VAL 2 4 -16.371 7.431 -4.127 1.00 0.00 C ATOM 0 H VAL 2 4 -16.224 4.377 -1.580 1.00 0.00 H new ATOM 0 HA VAL 2 4 -15.660 4.626 -4.500 1.00 0.00 H new ATOM 0 HB VAL 2 4 -17.634 5.719 -4.305 1.00 0.00 H new ATOM 0 HG11 VAL 2 4 -18.383 7.008 -2.339 1.00 0.00 H new ATOM 0 HG12 VAL 2 4 -18.009 5.318 -1.926 1.00 0.00 H new ATOM 0 HG13 VAL 2 4 -16.860 6.611 -1.508 1.00 0.00 H new ATOM 0 HG21 VAL 2 4 -17.192 8.146 -4.182 1.00 0.00 H new ATOM 0 HG22 VAL 2 4 -15.602 7.812 -3.455 1.00 0.00 H new ATOM 0 HG23 VAL 2 4 -15.946 7.288 -5.121 1.00 0.00 H new ATOM 947 N GLY 2 5 -14.326 6.114 -1.885 1.00 0.00 N ATOM 948 CA GLY 2 5 -13.103 6.726 -1.392 1.00 0.00 C ATOM 949 C GLY 2 5 -12.003 5.678 -1.206 1.00 0.00 C ATOM 950 O GLY 2 5 -10.916 5.994 -0.723 1.00 0.00 O ATOM 0 H GLY 2 5 -15.078 6.052 -1.199 1.00 0.00 H new ATOM 0 HA2 GLY 2 5 -12.767 7.491 -2.092 1.00 0.00 H new ATOM 0 HA3 GLY 2 5 -13.299 7.226 -0.443 1.00 0.00 H new ATOM 954 N LEU 2 6 -12.323 4.454 -1.597 1.00 0.00 N ATOM 955 CA LEU 2 6 -11.376 3.358 -1.479 1.00 0.00 C ATOM 956 C LEU 2 6 -11.303 2.608 -2.810 1.00 0.00 C ATOM 957 O LEU 2 6 -10.613 1.594 -2.918 1.00 0.00 O ATOM 958 CB LEU 2 6 -11.733 2.467 -0.289 1.00 0.00 C ATOM 959 CG LEU 2 6 -13.133 2.661 0.298 1.00 0.00 C ATOM 960 CD1 LEU 2 6 -13.520 1.481 1.192 1.00 0.00 C ATOM 961 CD2 LEU 2 6 -13.239 3.998 1.034 1.00 0.00 C ATOM 0 H LEU 2 6 -13.226 4.196 -1.996 1.00 0.00 H new ATOM 0 HA LEU 2 6 -10.376 3.739 -1.272 1.00 0.00 H new ATOM 0 HB2 LEU 2 6 -11.630 1.426 -0.596 1.00 0.00 H new ATOM 0 HB3 LEU 2 6 -11.002 2.640 0.501 1.00 0.00 H new ATOM 0 HG LEU 2 6 -13.848 2.690 -0.524 1.00 0.00 H new ATOM 0 HD11 LEU 2 6 -14.519 1.643 1.597 1.00 0.00 H new ATOM 0 HD12 LEU 2 6 -13.511 0.562 0.606 1.00 0.00 H new ATOM 0 HD13 LEU 2 6 -12.806 1.396 2.011 1.00 0.00 H new ATOM 0 HD21 LEU 2 6 -14.244 4.110 1.441 1.00 0.00 H new ATOM 0 HD22 LEU 2 6 -12.513 4.025 1.847 1.00 0.00 H new ATOM 0 HD23 LEU 2 6 -13.036 4.813 0.339 1.00 0.00 H new ATOM 973 N SER 2 7 -12.022 3.134 -3.791 1.00 0.00 N ATOM 974 CA SER 2 7 -12.047 2.526 -5.110 1.00 0.00 C ATOM 975 C SER 2 7 -11.286 3.404 -6.105 1.00 0.00 C ATOM 976 O SER 2 7 -10.814 4.484 -5.752 1.00 0.00 O ATOM 977 CB SER 2 7 -13.483 2.306 -5.588 1.00 0.00 C ATOM 978 OG SER 2 7 -14.138 3.532 -5.897 1.00 0.00 O ATOM 0 H SER 2 7 -12.592 3.975 -3.698 1.00 0.00 H new ATOM 0 HA SER 2 7 -11.560 1.553 -5.047 1.00 0.00 H new ATOM 0 HB2 SER 2 7 -13.477 1.666 -6.470 1.00 0.00 H new ATOM 0 HB3 SER 2 7 -14.045 1.780 -4.816 1.00 0.00 H new ATOM 0 HG SER 2 7 -13.775 4.248 -5.334 1.00 0.00 H new ATOM 984 N ALA 2 8 -11.189 2.908 -7.330 1.00 0.00 N ATOM 985 CA ALA 2 8 -10.493 3.633 -8.379 1.00 0.00 C ATOM 986 C ALA 2 8 -11.202 4.967 -8.626 1.00 0.00 C ATOM 987 O ALA 2 8 -12.030 5.076 -9.529 1.00 0.00 O ATOM 988 CB ALA 2 8 -10.424 2.768 -9.638 1.00 0.00 C ATOM 0 H ALA 2 8 -11.581 2.012 -7.619 1.00 0.00 H new ATOM 0 HA ALA 2 8 -9.469 3.854 -8.079 1.00 0.00 H new ATOM 0 HB1 ALA 2 8 -9.902 3.312 -10.425 1.00 0.00 H new ATOM 0 HB2 ALA 2 8 -9.887 1.846 -9.417 1.00 0.00 H new ATOM 0 HB3 ALA 2 8 -11.434 2.529 -9.971 1.00 0.00 H new ATOM 994 N ASN 2 9 -10.849 5.948 -7.808 1.00 0.00 N ATOM 995 CA ASN 2 9 -11.440 7.270 -7.926 1.00 0.00 C ATOM 996 C ASN 2 9 -10.934 8.155 -6.786 1.00 0.00 C ATOM 997 O ASN 2 9 -10.770 9.361 -6.956 1.00 0.00 O ATOM 998 CB ASN 2 9 -12.966 7.202 -7.830 1.00 0.00 C ATOM 999 CG ASN 2 9 -13.621 8.151 -8.835 1.00 0.00 C ATOM 1000 OD1 ASN 2 9 -14.261 7.742 -9.789 1.00 0.00 O ATOM 1001 ND2 ASN 2 9 -13.428 9.440 -8.567 1.00 0.00 N ATOM 0 H ASN 2 9 -10.161 5.854 -7.061 1.00 0.00 H new ATOM 0 HA ASN 2 9 -11.157 7.680 -8.896 1.00 0.00 H new ATOM 0 HB2 ASN 2 9 -13.301 6.182 -8.017 1.00 0.00 H new ATOM 0 HB3 ASN 2 9 -13.282 7.462 -6.820 1.00 0.00 H new ATOM 0 HD21 ASN 2 9 -13.827 10.153 -9.178 1.00 0.00 H new ATOM 0 HD22 ASN 2 9 -12.881 9.715 -7.751 1.00 0.00 H new ATOM 1008 N GLN 2 10 -10.698 7.520 -5.647 1.00 0.00 N ATOM 1009 CA GLN 2 10 -10.214 8.234 -4.478 1.00 0.00 C ATOM 1010 C GLN 2 10 -8.857 8.876 -4.773 1.00 0.00 C ATOM 1011 O GLN 2 10 -8.524 9.919 -4.213 1.00 0.00 O ATOM 1012 CB GLN 2 10 -10.130 7.306 -3.263 1.00 0.00 C ATOM 1013 CG GLN 2 10 -9.894 8.104 -1.980 1.00 0.00 C ATOM 1014 CD GLN 2 10 -8.668 7.580 -1.227 1.00 0.00 C ATOM 1015 OE1 GLN 2 10 -7.877 8.331 -0.679 1.00 0.00 O ATOM 1016 NE2 GLN 2 10 -8.555 6.256 -1.233 1.00 0.00 N ATOM 0 H GLN 2 10 -10.833 6.518 -5.509 1.00 0.00 H new ATOM 0 HA GLN 2 10 -10.925 9.025 -4.240 1.00 0.00 H new ATOM 0 HB2 GLN 2 10 -11.053 6.732 -3.174 1.00 0.00 H new ATOM 0 HB3 GLN 2 10 -9.321 6.589 -3.404 1.00 0.00 H new ATOM 0 HG2 GLN 2 10 -9.754 9.157 -2.223 1.00 0.00 H new ATOM 0 HG3 GLN 2 10 -10.774 8.039 -1.340 1.00 0.00 H new ATOM 0 HE21 GLN 2 10 -9.253 5.687 -1.711 1.00 0.00 H new ATOM 0 HE22 GLN 2 10 -7.770 5.809 -0.759 1.00 0.00 H new ATOM 1025 N CYS 2 11 -8.110 8.224 -5.652 1.00 0.00 N ATOM 1026 CA CYS 2 11 -6.796 8.719 -6.028 1.00 0.00 C ATOM 1027 C CYS 2 11 -6.979 10.012 -6.825 1.00 0.00 C ATOM 1028 O CYS 2 11 -6.002 10.674 -7.173 1.00 0.00 O ATOM 1029 CB CYS 2 11 -6.002 7.672 -6.813 1.00 0.00 C ATOM 1030 SG CYS 2 11 -4.408 8.267 -7.489 1.00 0.00 S ATOM 0 H CYS 2 11 -8.389 7.359 -6.114 1.00 0.00 H new ATOM 0 HA CYS 2 11 -6.212 8.927 -5.131 1.00 0.00 H new ATOM 0 HB2 CYS 2 11 -5.809 6.819 -6.162 1.00 0.00 H new ATOM 0 HB3 CYS 2 11 -6.618 7.311 -7.637 1.00 0.00 H new ATOM 1035 N ALA 2 12 -8.236 10.334 -7.089 1.00 0.00 N ATOM 1036 CA ALA 2 12 -8.560 11.536 -7.838 1.00 0.00 C ATOM 1037 C ALA 2 12 -9.131 12.587 -6.885 1.00 0.00 C ATOM 1038 O ALA 2 12 -9.720 13.574 -7.324 1.00 0.00 O ATOM 1039 CB ALA 2 12 -9.529 11.187 -8.970 1.00 0.00 C ATOM 0 H ALA 2 12 -9.043 9.783 -6.797 1.00 0.00 H new ATOM 0 HA ALA 2 12 -7.664 11.957 -8.294 1.00 0.00 H new ATOM 0 HB1 ALA 2 12 -9.772 12.089 -9.532 1.00 0.00 H new ATOM 0 HB2 ALA 2 12 -9.064 10.459 -9.635 1.00 0.00 H new ATOM 0 HB3 ALA 2 12 -10.442 10.764 -8.550 1.00 0.00 H new ATOM 1045 N VAL 2 13 -8.936 12.341 -5.598 1.00 0.00 N ATOM 1046 CA VAL 2 13 -9.423 13.254 -4.578 1.00 0.00 C ATOM 1047 C VAL 2 13 -9.033 14.685 -4.952 1.00 0.00 C ATOM 1048 O VAL 2 13 -8.196 14.895 -5.830 1.00 0.00 O ATOM 1049 CB VAL 2 13 -8.901 12.831 -3.203 1.00 0.00 C ATOM 1050 CG1 VAL 2 13 -7.823 13.797 -2.706 1.00 0.00 C ATOM 1051 CG2 VAL 2 13 -10.045 12.718 -2.193 1.00 0.00 C ATOM 0 H VAL 2 13 -8.447 11.522 -5.238 1.00 0.00 H new ATOM 0 HA VAL 2 13 -10.511 13.218 -4.522 1.00 0.00 H new ATOM 0 HB VAL 2 13 -8.447 11.845 -3.305 1.00 0.00 H new ATOM 0 HG11 VAL 2 13 -7.469 13.474 -1.727 1.00 0.00 H new ATOM 0 HG12 VAL 2 13 -6.990 13.805 -3.409 1.00 0.00 H new ATOM 0 HG13 VAL 2 13 -8.242 14.800 -2.628 1.00 0.00 H new ATOM 0 HG21 VAL 2 13 -9.647 12.416 -1.224 1.00 0.00 H new ATOM 0 HG22 VAL 2 13 -10.542 13.683 -2.096 1.00 0.00 H new ATOM 0 HG23 VAL 2 13 -10.763 11.974 -2.538 1.00 0.00 H new ATOM 1061 N PRO 2 14 -9.673 15.658 -4.250 1.00 0.00 N ATOM 1062 CA PRO 2 14 -9.400 17.063 -4.499 1.00 0.00 C ATOM 1063 C PRO 2 14 -8.050 17.474 -3.906 1.00 0.00 C ATOM 1064 O PRO 2 14 -7.848 18.638 -3.564 1.00 0.00 O ATOM 1065 CB PRO 2 14 -10.572 17.806 -3.880 1.00 0.00 C ATOM 1066 CG PRO 2 14 -11.217 16.832 -2.907 1.00 0.00 C ATOM 1067 CD PRO 2 14 -10.669 15.447 -3.203 1.00 0.00 C ATOM 0 HA PRO 2 14 -9.315 17.293 -5.561 1.00 0.00 H new ATOM 0 HB2 PRO 2 14 -10.236 18.706 -3.366 1.00 0.00 H new ATOM 0 HB3 PRO 2 14 -11.282 18.122 -4.645 1.00 0.00 H new ATOM 0 HG2 PRO 2 14 -10.997 17.118 -1.878 1.00 0.00 H new ATOM 0 HG3 PRO 2 14 -12.301 16.845 -3.016 1.00 0.00 H new ATOM 0 HD2 PRO 2 14 -10.222 15.000 -2.315 1.00 0.00 H new ATOM 0 HD3 PRO 2 14 -11.457 14.772 -3.537 1.00 0.00 H new ATOM 1075 N ALA 2 15 -7.163 16.495 -3.802 1.00 0.00 N ATOM 1076 CA ALA 2 15 -5.840 16.740 -3.256 1.00 0.00 C ATOM 1077 C ALA 2 15 -5.966 17.572 -1.978 1.00 0.00 C ATOM 1078 O ALA 2 15 -5.449 18.686 -1.905 1.00 0.00 O ATOM 1079 CB ALA 2 15 -4.969 17.424 -4.312 1.00 0.00 C ATOM 0 H ALA 2 15 -7.335 15.531 -4.087 1.00 0.00 H new ATOM 0 HA ALA 2 15 -5.355 15.800 -2.992 1.00 0.00 H new ATOM 0 HB1 ALA 2 15 -3.976 17.608 -3.901 1.00 0.00 H new ATOM 0 HB2 ALA 2 15 -4.886 16.780 -5.188 1.00 0.00 H new ATOM 0 HB3 ALA 2 15 -5.423 18.372 -4.600 1.00 0.00 H new ATOM 1085 N LYS 2 16 -6.654 16.998 -1.002 1.00 0.00 N ATOM 1086 CA LYS 2 16 -6.854 17.673 0.270 1.00 0.00 C ATOM 1087 C LYS 2 16 -7.627 16.751 1.215 1.00 0.00 C ATOM 1088 O LYS 2 16 -8.436 17.214 2.017 1.00 0.00 O ATOM 1089 CB LYS 2 16 -7.523 19.032 0.055 1.00 0.00 C ATOM 1090 CG LYS 2 16 -8.888 18.873 -0.616 1.00 0.00 C ATOM 1091 CD LYS 2 16 -9.846 19.984 -0.181 1.00 0.00 C ATOM 1092 CE LYS 2 16 -10.619 19.580 1.077 1.00 0.00 C ATOM 1093 NZ LYS 2 16 -11.127 20.779 1.781 1.00 0.00 N ATOM 0 H LYS 2 16 -7.080 16.073 -1.066 1.00 0.00 H new ATOM 0 HA LYS 2 16 -5.896 17.886 0.744 1.00 0.00 H new ATOM 0 HB2 LYS 2 16 -7.642 19.538 1.013 1.00 0.00 H new ATOM 0 HB3 LYS 2 16 -6.882 19.663 -0.561 1.00 0.00 H new ATOM 0 HG2 LYS 2 16 -8.769 18.894 -1.699 1.00 0.00 H new ATOM 0 HG3 LYS 2 16 -9.312 17.902 -0.360 1.00 0.00 H new ATOM 0 HD2 LYS 2 16 -9.285 20.899 0.011 1.00 0.00 H new ATOM 0 HD3 LYS 2 16 -10.546 20.202 -0.988 1.00 0.00 H new ATOM 0 HE2 LYS 2 16 -11.451 18.930 0.807 1.00 0.00 H new ATOM 0 HE3 LYS 2 16 -9.971 19.008 1.741 1.00 0.00 H new ATOM 0 HZ1 LYS 2 16 -11.649 20.487 2.632 1.00 0.00 H new ATOM 0 HZ2 LYS 2 16 -10.328 21.385 2.056 1.00 0.00 H new ATOM 0 HZ3 LYS 2 16 -11.762 21.309 1.150 1.00 0.00 H new ATOM 1107 N ASP 2 17 -7.350 15.461 1.089 1.00 0.00 N ATOM 1108 CA ASP 2 17 -8.008 14.469 1.922 1.00 0.00 C ATOM 1109 C ASP 2 17 -7.220 13.159 1.868 1.00 0.00 C ATOM 1110 O ASP 2 17 -7.760 12.093 2.160 1.00 0.00 O ATOM 1111 CB ASP 2 17 -9.428 14.188 1.426 1.00 0.00 C ATOM 1112 CG ASP 2 17 -10.348 13.516 2.448 1.00 0.00 C ATOM 1113 OD1 ASP 2 17 -9.966 13.508 3.637 1.00 0.00 O ATOM 1114 OD2 ASP 2 17 -11.414 13.026 2.015 1.00 0.00 O ATOM 0 H ASP 2 17 -6.679 15.080 0.422 1.00 0.00 H new ATOM 0 HA ASP 2 17 -8.052 14.859 2.939 1.00 0.00 H new ATOM 0 HB2 ASP 2 17 -9.881 15.129 1.115 1.00 0.00 H new ATOM 0 HB3 ASP 2 17 -9.369 13.555 0.541 1.00 0.00 H new ATOM 1119 N ARG 2 18 -5.956 13.281 1.491 1.00 0.00 N ATOM 1120 CA ARG 2 18 -5.088 12.120 1.395 1.00 0.00 C ATOM 1121 C ARG 2 18 -4.377 11.877 2.727 1.00 0.00 C ATOM 1122 O ARG 2 18 -4.502 12.673 3.656 1.00 0.00 O ATOM 1123 CB ARG 2 18 -4.043 12.303 0.292 1.00 0.00 C ATOM 1124 CG ARG 2 18 -4.706 12.683 -1.034 1.00 0.00 C ATOM 1125 CD ARG 2 18 -3.860 13.703 -1.797 1.00 0.00 C ATOM 1126 NE ARG 2 18 -4.326 13.801 -3.198 1.00 0.00 N ATOM 1127 CZ ARG 2 18 -3.654 14.428 -4.172 1.00 0.00 C ATOM 1128 NH1 ARG 2 18 -2.481 15.018 -3.904 1.00 0.00 N ATOM 1129 NH2 ARG 2 18 -4.153 14.467 -5.415 1.00 0.00 N ATOM 0 H ARG 2 18 -5.512 14.167 1.248 1.00 0.00 H new ATOM 0 HA ARG 2 18 -5.711 11.260 1.150 1.00 0.00 H new ATOM 0 HB2 ARG 2 18 -3.334 13.078 0.583 1.00 0.00 H new ATOM 0 HB3 ARG 2 18 -3.475 11.381 0.168 1.00 0.00 H new ATOM 0 HG2 ARG 2 18 -4.844 11.791 -1.644 1.00 0.00 H new ATOM 0 HG3 ARG 2 18 -5.697 13.096 -0.844 1.00 0.00 H new ATOM 0 HD2 ARG 2 18 -3.927 14.678 -1.314 1.00 0.00 H new ATOM 0 HD3 ARG 2 18 -2.811 13.408 -1.774 1.00 0.00 H new ATOM 0 HE ARG 2 18 -5.216 13.363 -3.437 1.00 0.00 H new ATOM 0 HH11 ARG 2 18 -2.100 14.989 -2.958 1.00 0.00 H new ATOM 0 HH12 ARG 2 18 -1.969 15.496 -4.646 1.00 0.00 H new ATOM 0 HH21 ARG 2 18 -5.046 14.019 -5.620 1.00 0.00 H new ATOM 0 HH22 ARG 2 18 -3.640 14.945 -6.156 1.00 0.00 H new ATOM 1143 N VAL 2 19 -3.645 10.773 2.778 1.00 0.00 N ATOM 1144 CA VAL 2 19 -2.913 10.415 3.981 1.00 0.00 C ATOM 1145 C VAL 2 19 -1.439 10.786 3.806 1.00 0.00 C ATOM 1146 O VAL 2 19 -0.576 10.259 4.506 1.00 0.00 O ATOM 1147 CB VAL 2 19 -3.123 8.934 4.300 1.00 0.00 C ATOM 1148 CG1 VAL 2 19 -2.688 8.614 5.731 1.00 0.00 C ATOM 1149 CG2 VAL 2 19 -4.578 8.523 4.064 1.00 0.00 C ATOM 0 H VAL 2 19 -3.543 10.115 2.005 1.00 0.00 H new ATOM 0 HA VAL 2 19 -3.289 10.975 4.837 1.00 0.00 H new ATOM 0 HB VAL 2 19 -2.497 8.354 3.622 1.00 0.00 H new ATOM 0 HG11 VAL 2 19 -2.848 7.555 5.932 1.00 0.00 H new ATOM 0 HG12 VAL 2 19 -1.631 8.851 5.851 1.00 0.00 H new ATOM 0 HG13 VAL 2 19 -3.275 9.208 6.431 1.00 0.00 H new ATOM 0 HG21 VAL 2 19 -4.700 7.465 4.298 1.00 0.00 H new ATOM 0 HG22 VAL 2 19 -5.232 9.114 4.705 1.00 0.00 H new ATOM 0 HG23 VAL 2 19 -4.840 8.696 3.020 1.00 0.00 H new ATOM 1159 N ASP 2 20 -1.197 11.687 2.866 1.00 0.00 N ATOM 1160 CA ASP 2 20 0.158 12.135 2.589 1.00 0.00 C ATOM 1161 C ASP 2 20 1.136 10.997 2.888 1.00 0.00 C ATOM 1162 O ASP 2 20 1.669 10.905 3.993 1.00 0.00 O ATOM 1163 CB ASP 2 20 0.536 13.327 3.471 1.00 0.00 C ATOM 1164 CG ASP 2 20 2.029 13.457 3.777 1.00 0.00 C ATOM 1165 OD1 ASP 2 20 2.761 13.887 2.858 1.00 0.00 O ATOM 1166 OD2 ASP 2 20 2.405 13.125 4.922 1.00 0.00 O ATOM 0 H ASP 2 20 -1.916 12.119 2.286 1.00 0.00 H new ATOM 0 HA ASP 2 20 0.208 12.432 1.541 1.00 0.00 H new ATOM 0 HB2 ASP 2 20 0.199 14.242 2.983 1.00 0.00 H new ATOM 0 HB3 ASP 2 20 -0.007 13.250 4.413 1.00 0.00 H new ATOM 1171 N CYS 2 21 1.344 10.159 1.883 1.00 0.00 N ATOM 1172 CA CYS 2 21 2.249 9.030 2.025 1.00 0.00 C ATOM 1173 C CYS 2 21 3.565 9.542 2.615 1.00 0.00 C ATOM 1174 O CYS 2 21 4.205 8.849 3.405 1.00 0.00 O ATOM 1175 CB CYS 2 21 2.463 8.307 0.693 1.00 0.00 C ATOM 1176 SG CYS 2 21 3.166 6.624 0.840 1.00 0.00 S ATOM 0 H CYS 2 21 0.902 10.239 0.967 1.00 0.00 H new ATOM 0 HA CYS 2 21 1.813 8.292 2.698 1.00 0.00 H new ATOM 0 HB2 CYS 2 21 1.507 8.243 0.173 1.00 0.00 H new ATOM 0 HB3 CYS 2 21 3.125 8.909 0.071 1.00 0.00 H new ATOM 1181 N GLY 2 22 3.929 10.748 2.209 1.00 0.00 N ATOM 1182 CA GLY 2 22 5.157 11.361 2.688 1.00 0.00 C ATOM 1183 C GLY 2 22 6.371 10.497 2.341 1.00 0.00 C ATOM 1184 O GLY 2 22 7.239 10.272 3.184 1.00 0.00 O ATOM 0 H GLY 2 22 3.395 11.319 1.553 1.00 0.00 H new ATOM 0 HA2 GLY 2 22 5.271 12.350 2.245 1.00 0.00 H new ATOM 0 HA3 GLY 2 22 5.101 11.500 3.768 1.00 0.00 H new ATOM 1188 N TYR 2 23 6.394 10.035 1.099 1.00 0.00 N ATOM 1189 CA TYR 2 23 7.487 9.201 0.632 1.00 0.00 C ATOM 1190 C TYR 2 23 8.684 10.053 0.206 1.00 0.00 C ATOM 1191 O TYR 2 23 8.521 11.060 -0.481 1.00 0.00 O ATOM 1192 CB TYR 2 23 6.952 8.450 -0.590 1.00 0.00 C ATOM 1193 CG TYR 2 23 7.362 6.977 -0.643 1.00 0.00 C ATOM 1194 CD1 TYR 2 23 7.244 6.186 0.482 1.00 0.00 C ATOM 1195 CD2 TYR 2 23 7.849 6.438 -1.817 1.00 0.00 C ATOM 1196 CE1 TYR 2 23 7.630 4.800 0.430 1.00 0.00 C ATOM 1197 CE2 TYR 2 23 8.234 5.052 -1.868 1.00 0.00 C ATOM 1198 CZ TYR 2 23 8.106 4.301 -0.742 1.00 0.00 C ATOM 1199 OH TYR 2 23 8.471 2.992 -0.789 1.00 0.00 O ATOM 0 H TYR 2 23 5.673 10.223 0.402 1.00 0.00 H new ATOM 0 HA TYR 2 23 7.822 8.530 1.423 1.00 0.00 H new ATOM 0 HB2 TYR 2 23 5.864 8.514 -0.596 1.00 0.00 H new ATOM 0 HB3 TYR 2 23 7.305 8.948 -1.493 1.00 0.00 H new ATOM 0 HD1 TYR 2 23 6.862 6.607 1.401 1.00 0.00 H new ATOM 0 HD2 TYR 2 23 7.941 7.057 -2.698 1.00 0.00 H new ATOM 0 HE1 TYR 2 23 7.543 4.170 1.303 1.00 0.00 H new ATOM 0 HE2 TYR 2 23 8.616 4.618 -2.780 1.00 0.00 H new ATOM 0 HH TYR 2 23 8.178 2.541 0.030 1.00 0.00 H new ATOM 1209 N PRO 2 24 9.892 9.607 0.644 1.00 0.00 N ATOM 1210 CA PRO 2 24 11.116 10.318 0.317 1.00 0.00 C ATOM 1211 C PRO 2 24 11.518 10.077 -1.140 1.00 0.00 C ATOM 1212 O PRO 2 24 12.456 10.696 -1.639 1.00 0.00 O ATOM 1213 CB PRO 2 24 12.147 9.804 1.309 1.00 0.00 C ATOM 1214 CG PRO 2 24 11.591 8.497 1.848 1.00 0.00 C ATOM 1215 CD PRO 2 24 10.123 8.418 1.460 1.00 0.00 C ATOM 0 HA PRO 2 24 11.008 11.400 0.399 1.00 0.00 H new ATOM 0 HB2 PRO 2 24 13.111 9.648 0.825 1.00 0.00 H new ATOM 0 HB3 PRO 2 24 12.307 10.522 2.114 1.00 0.00 H new ATOM 0 HG2 PRO 2 24 12.140 7.650 1.437 1.00 0.00 H new ATOM 0 HG3 PRO 2 24 11.702 8.453 2.931 1.00 0.00 H new ATOM 0 HD2 PRO 2 24 9.909 7.507 0.902 1.00 0.00 H new ATOM 0 HD3 PRO 2 24 9.480 8.411 2.340 1.00 0.00 H new ATOM 1223 N HIS 2 25 10.786 9.177 -1.781 1.00 0.00 N ATOM 1224 CA HIS 2 25 11.053 8.847 -3.170 1.00 0.00 C ATOM 1225 C HIS 2 25 9.804 9.119 -4.011 1.00 0.00 C ATOM 1226 O HIS 2 25 9.630 8.531 -5.078 1.00 0.00 O ATOM 1227 CB HIS 2 25 11.553 7.407 -3.299 1.00 0.00 C ATOM 1228 CG HIS 2 25 13.010 7.295 -3.684 1.00 0.00 C ATOM 1229 ND1 HIS 2 25 13.525 7.853 -4.841 1.00 0.00 N ATOM 1230 CD2 HIS 2 25 14.054 6.686 -3.052 1.00 0.00 C ATOM 1231 CE1 HIS 2 25 14.821 7.584 -4.893 1.00 0.00 C ATOM 1232 NE2 HIS 2 25 15.147 6.861 -3.785 1.00 0.00 N ATOM 0 H HIS 2 25 10.008 8.666 -1.363 1.00 0.00 H new ATOM 0 HA HIS 2 25 11.851 9.483 -3.552 1.00 0.00 H new ATOM 0 HB2 HIS 2 25 11.398 6.893 -2.350 1.00 0.00 H new ATOM 0 HB3 HIS 2 25 10.950 6.889 -4.045 1.00 0.00 H new ATOM 0 HD2 HIS 2 25 14.001 6.152 -2.115 1.00 0.00 H new ATOM 0 HE1 HIS 2 25 15.500 7.885 -5.677 1.00 0.00 H new ATOM 0 HE2 HIS 2 25 16.078 6.512 -3.556 1.00 0.00 H new ATOM 1241 N VAL 2 26 8.968 10.010 -3.500 1.00 0.00 N ATOM 1242 CA VAL 2 26 7.741 10.366 -4.192 1.00 0.00 C ATOM 1243 C VAL 2 26 8.035 10.552 -5.681 1.00 0.00 C ATOM 1244 O VAL 2 26 8.836 11.406 -6.057 1.00 0.00 O ATOM 1245 CB VAL 2 26 7.117 11.606 -3.546 1.00 0.00 C ATOM 1246 CG1 VAL 2 26 8.198 12.591 -3.096 1.00 0.00 C ATOM 1247 CG2 VAL 2 26 6.124 12.278 -4.495 1.00 0.00 C ATOM 0 H VAL 2 26 9.116 10.496 -2.615 1.00 0.00 H new ATOM 0 HA VAL 2 26 7.007 9.565 -4.104 1.00 0.00 H new ATOM 0 HB VAL 2 26 6.568 11.283 -2.662 1.00 0.00 H new ATOM 0 HG11 VAL 2 26 7.729 13.463 -2.641 1.00 0.00 H new ATOM 0 HG12 VAL 2 26 8.850 12.108 -2.368 1.00 0.00 H new ATOM 0 HG13 VAL 2 26 8.786 12.905 -3.958 1.00 0.00 H new ATOM 0 HG21 VAL 2 26 5.696 13.156 -4.011 1.00 0.00 H new ATOM 0 HG22 VAL 2 26 6.640 12.581 -5.406 1.00 0.00 H new ATOM 0 HG23 VAL 2 26 5.328 11.577 -4.745 1.00 0.00 H new ATOM 1257 N THR 2 27 7.370 9.739 -6.488 1.00 0.00 N ATOM 1258 CA THR 2 27 7.550 9.803 -7.929 1.00 0.00 C ATOM 1259 C THR 2 27 6.406 9.080 -8.642 1.00 0.00 C ATOM 1260 O THR 2 27 5.844 8.124 -8.111 1.00 0.00 O ATOM 1261 CB THR 2 27 8.930 9.232 -8.259 1.00 0.00 C ATOM 1262 OG1 THR 2 27 9.672 10.358 -8.719 1.00 0.00 O ATOM 1263 CG2 THR 2 27 8.901 8.288 -9.464 1.00 0.00 C ATOM 0 H THR 2 27 6.706 9.032 -6.172 1.00 0.00 H new ATOM 0 HA THR 2 27 7.515 10.832 -8.287 1.00 0.00 H new ATOM 0 HB THR 2 27 9.319 8.701 -7.390 1.00 0.00 H new ATOM 0 HG1 THR 2 27 9.641 11.068 -8.044 1.00 0.00 H new ATOM 0 HG21 THR 2 27 9.906 7.911 -9.655 1.00 0.00 H new ATOM 0 HG22 THR 2 27 8.233 7.452 -9.255 1.00 0.00 H new ATOM 0 HG23 THR 2 27 8.543 8.828 -10.341 1.00 0.00 H new ATOM 1271 N PRO 2 28 6.087 9.577 -9.867 1.00 0.00 N ATOM 1272 CA PRO 2 28 5.019 8.989 -10.659 1.00 0.00 C ATOM 1273 C PRO 2 28 5.462 7.661 -11.276 1.00 0.00 C ATOM 1274 O PRO 2 28 5.306 7.447 -12.477 1.00 0.00 O ATOM 1275 CB PRO 2 28 4.676 10.043 -11.700 1.00 0.00 C ATOM 1276 CG PRO 2 28 5.867 10.985 -11.749 1.00 0.00 C ATOM 1277 CD PRO 2 28 6.730 10.709 -10.528 1.00 0.00 C ATOM 0 HA PRO 2 28 4.142 8.737 -10.063 1.00 0.00 H new ATOM 0 HB2 PRO 2 28 4.499 9.587 -12.674 1.00 0.00 H new ATOM 0 HB3 PRO 2 28 3.766 10.578 -11.429 1.00 0.00 H new ATOM 0 HG2 PRO 2 28 6.439 10.830 -12.664 1.00 0.00 H new ATOM 0 HG3 PRO 2 28 5.533 12.023 -11.754 1.00 0.00 H new ATOM 0 HD2 PRO 2 28 7.755 10.471 -10.813 1.00 0.00 H new ATOM 0 HD3 PRO 2 28 6.776 11.577 -9.871 1.00 0.00 H new ATOM 1285 N LYS 2 29 6.008 6.804 -10.426 1.00 0.00 N ATOM 1286 CA LYS 2 29 6.476 5.502 -10.873 1.00 0.00 C ATOM 1287 C LYS 2 29 6.978 4.704 -9.667 1.00 0.00 C ATOM 1288 O LYS 2 29 6.979 3.475 -9.689 1.00 0.00 O ATOM 1289 CB LYS 2 29 7.516 5.659 -11.983 1.00 0.00 C ATOM 1290 CG LYS 2 29 7.972 4.294 -12.504 1.00 0.00 C ATOM 1291 CD LYS 2 29 7.974 4.265 -14.034 1.00 0.00 C ATOM 1292 CE LYS 2 29 8.892 3.159 -14.560 1.00 0.00 C ATOM 1293 NZ LYS 2 29 8.426 2.683 -15.881 1.00 0.00 N ATOM 0 H LYS 2 29 6.137 6.985 -9.431 1.00 0.00 H new ATOM 0 HA LYS 2 29 5.657 4.933 -11.314 1.00 0.00 H new ATOM 0 HB2 LYS 2 29 7.094 6.242 -12.802 1.00 0.00 H new ATOM 0 HB3 LYS 2 29 8.375 6.214 -11.606 1.00 0.00 H new ATOM 0 HG2 LYS 2 29 8.972 4.074 -12.131 1.00 0.00 H new ATOM 0 HG3 LYS 2 29 7.311 3.516 -12.123 1.00 0.00 H new ATOM 0 HD2 LYS 2 29 6.960 4.105 -14.400 1.00 0.00 H new ATOM 0 HD3 LYS 2 29 8.303 5.230 -14.419 1.00 0.00 H new ATOM 0 HE2 LYS 2 29 9.913 3.533 -14.641 1.00 0.00 H new ATOM 0 HE3 LYS 2 29 8.912 2.329 -13.854 1.00 0.00 H new ATOM 0 HZ1 LYS 2 29 9.060 1.933 -16.223 1.00 0.00 H new ATOM 0 HZ2 LYS 2 29 7.460 2.307 -15.794 1.00 0.00 H new ATOM 0 HZ3 LYS 2 29 8.430 3.474 -16.556 1.00 0.00 H new ATOM 1307 N GLU 2 30 7.394 5.437 -8.645 1.00 0.00 N ATOM 1308 CA GLU 2 30 7.897 4.813 -7.433 1.00 0.00 C ATOM 1309 C GLU 2 30 6.766 4.637 -6.417 1.00 0.00 C ATOM 1310 O GLU 2 30 6.644 3.583 -5.797 1.00 0.00 O ATOM 1311 CB GLU 2 30 9.049 5.625 -6.837 1.00 0.00 C ATOM 1312 CG GLU 2 30 10.374 4.869 -6.961 1.00 0.00 C ATOM 1313 CD GLU 2 30 10.867 4.397 -5.592 1.00 0.00 C ATOM 1314 OE1 GLU 2 30 10.001 3.997 -4.785 1.00 0.00 O ATOM 1315 OE2 GLU 2 30 12.099 4.446 -5.385 1.00 0.00 O ATOM 0 H GLU 2 30 7.393 6.457 -8.631 1.00 0.00 H new ATOM 0 HA GLU 2 30 8.285 3.827 -7.689 1.00 0.00 H new ATOM 0 HB2 GLU 2 30 9.125 6.585 -7.348 1.00 0.00 H new ATOM 0 HB3 GLU 2 30 8.844 5.838 -5.788 1.00 0.00 H new ATOM 0 HG2 GLU 2 30 10.247 4.011 -7.621 1.00 0.00 H new ATOM 0 HG3 GLU 2 30 11.124 5.515 -7.418 1.00 0.00 H new ATOM 1322 N CYS 2 31 5.970 5.687 -6.279 1.00 0.00 N ATOM 1323 CA CYS 2 31 4.854 5.662 -5.349 1.00 0.00 C ATOM 1324 C CYS 2 31 3.880 4.570 -5.797 1.00 0.00 C ATOM 1325 O CYS 2 31 3.578 3.653 -5.035 1.00 0.00 O ATOM 1326 CB CYS 2 31 4.172 7.028 -5.247 1.00 0.00 C ATOM 1327 SG CYS 2 31 4.990 8.211 -4.116 1.00 0.00 S ATOM 0 H CYS 2 31 6.076 6.560 -6.795 1.00 0.00 H new ATOM 0 HA CYS 2 31 5.217 5.435 -4.347 1.00 0.00 H new ATOM 0 HB2 CYS 2 31 4.126 7.471 -6.242 1.00 0.00 H new ATOM 0 HB3 CYS 2 31 3.144 6.881 -4.915 1.00 0.00 H new ATOM 1332 N ASN 2 32 3.416 4.705 -7.030 1.00 0.00 N ATOM 1333 CA ASN 2 32 2.482 3.742 -7.588 1.00 0.00 C ATOM 1334 C ASN 2 32 3.146 2.364 -7.636 1.00 0.00 C ATOM 1335 O ASN 2 32 2.497 1.369 -7.956 1.00 0.00 O ATOM 1336 CB ASN 2 32 2.084 4.124 -9.015 1.00 0.00 C ATOM 1337 CG ASN 2 32 0.805 4.963 -9.022 1.00 0.00 C ATOM 1338 OD1 ASN 2 32 -0.203 4.602 -9.607 1.00 0.00 O ATOM 1339 ND2 ASN 2 32 0.901 6.101 -8.339 1.00 0.00 N ATOM 0 H ASN 2 32 3.669 5.467 -7.659 1.00 0.00 H new ATOM 0 HA ASN 2 32 1.593 3.729 -6.957 1.00 0.00 H new ATOM 0 HB2 ASN 2 32 2.893 4.684 -9.484 1.00 0.00 H new ATOM 0 HB3 ASN 2 32 1.935 3.222 -9.608 1.00 0.00 H new ATOM 0 HD21 ASN 2 32 0.101 6.731 -8.282 1.00 0.00 H new ATOM 0 HD22 ASN 2 32 1.775 6.343 -7.872 1.00 0.00 H new ATOM 1346 N ASN 2 33 4.431 2.349 -7.313 1.00 0.00 N ATOM 1347 CA ASN 2 33 5.189 1.110 -7.315 1.00 0.00 C ATOM 1348 C ASN 2 33 5.428 0.662 -5.871 1.00 0.00 C ATOM 1349 O ASN 2 33 5.609 -0.527 -5.609 1.00 0.00 O ATOM 1350 CB ASN 2 33 6.553 1.300 -7.983 1.00 0.00 C ATOM 1351 CG ASN 2 33 7.434 0.064 -7.791 1.00 0.00 C ATOM 1352 OD1 ASN 2 33 7.100 -1.037 -8.196 1.00 0.00 O ATOM 1353 ND2 ASN 2 33 8.576 0.307 -7.152 1.00 0.00 N ATOM 0 H ASN 2 33 4.966 3.176 -7.048 1.00 0.00 H new ATOM 0 HA ASN 2 33 4.617 0.365 -7.868 1.00 0.00 H new ATOM 0 HB2 ASN 2 33 6.417 1.492 -9.047 1.00 0.00 H new ATOM 0 HB3 ASN 2 33 7.050 2.174 -7.562 1.00 0.00 H new ATOM 0 HD21 ASN 2 33 9.233 -0.453 -6.975 1.00 0.00 H new ATOM 0 HD22 ASN 2 33 8.794 1.253 -6.839 1.00 0.00 H new ATOM 1360 N ARG 2 34 5.420 1.636 -4.974 1.00 0.00 N ATOM 1361 CA ARG 2 34 5.633 1.356 -3.564 1.00 0.00 C ATOM 1362 C ARG 2 34 4.299 1.077 -2.870 1.00 0.00 C ATOM 1363 O ARG 2 34 4.250 0.347 -1.881 1.00 0.00 O ATOM 1364 CB ARG 2 34 6.327 2.529 -2.868 1.00 0.00 C ATOM 1365 CG ARG 2 34 5.306 3.443 -2.187 1.00 0.00 C ATOM 1366 CD ARG 2 34 5.036 2.990 -0.751 1.00 0.00 C ATOM 1367 NE ARG 2 34 3.581 3.014 -0.479 1.00 0.00 N ATOM 1368 CZ ARG 2 34 3.034 2.718 0.708 1.00 0.00 C ATOM 1369 NH1 ARG 2 34 3.817 2.374 1.739 1.00 0.00 N ATOM 1370 NH2 ARG 2 34 1.705 2.764 0.864 1.00 0.00 N ATOM 0 H ARG 2 34 5.269 2.620 -5.196 1.00 0.00 H new ATOM 0 HA ARG 2 34 6.273 0.477 -3.494 1.00 0.00 H new ATOM 0 HB2 ARG 2 34 7.033 2.152 -2.128 1.00 0.00 H new ATOM 0 HB3 ARG 2 34 6.903 3.100 -3.596 1.00 0.00 H new ATOM 0 HG2 ARG 2 34 5.675 4.469 -2.185 1.00 0.00 H new ATOM 0 HG3 ARG 2 34 4.375 3.440 -2.754 1.00 0.00 H new ATOM 0 HD2 ARG 2 34 5.426 1.984 -0.599 1.00 0.00 H new ATOM 0 HD3 ARG 2 34 5.556 3.643 -0.051 1.00 0.00 H new ATOM 0 HE ARG 2 34 2.956 3.272 -1.243 1.00 0.00 H new ATOM 0 HH11 ARG 2 34 4.829 2.337 1.621 1.00 0.00 H new ATOM 0 HH12 ARG 2 34 3.401 2.149 2.643 1.00 0.00 H new ATOM 0 HH21 ARG 2 34 1.108 3.024 0.079 1.00 0.00 H new ATOM 0 HH22 ARG 2 34 1.289 2.539 1.768 1.00 0.00 H new ATOM 1384 N GLY 2 35 3.248 1.671 -3.416 1.00 0.00 N ATOM 1385 CA GLY 2 35 1.917 1.496 -2.862 1.00 0.00 C ATOM 1386 C GLY 2 35 1.261 2.848 -2.572 1.00 0.00 C ATOM 1387 O GLY 2 35 0.327 2.931 -1.775 1.00 0.00 O ATOM 0 H GLY 2 35 3.292 2.275 -4.237 1.00 0.00 H new ATOM 0 HA2 GLY 2 35 1.300 0.931 -3.561 1.00 0.00 H new ATOM 0 HA3 GLY 2 35 1.975 0.912 -1.944 1.00 0.00 H new ATOM 1391 N CYS 2 36 1.778 3.874 -3.232 1.00 0.00 N ATOM 1392 CA CYS 2 36 1.255 5.218 -3.054 1.00 0.00 C ATOM 1393 C CYS 2 36 0.765 5.727 -4.410 1.00 0.00 C ATOM 1394 O CYS 2 36 1.047 5.121 -5.444 1.00 0.00 O ATOM 1395 CB CYS 2 36 2.296 6.153 -2.436 1.00 0.00 C ATOM 1396 SG CYS 2 36 2.791 5.729 -0.726 1.00 0.00 S ATOM 0 H CYS 2 36 2.553 3.802 -3.891 1.00 0.00 H new ATOM 0 HA CYS 2 36 0.421 5.196 -2.353 1.00 0.00 H new ATOM 0 HB2 CYS 2 36 3.185 6.152 -3.067 1.00 0.00 H new ATOM 0 HB3 CYS 2 36 1.901 7.169 -2.443 1.00 0.00 H new ATOM 1401 N CYS 2 37 0.039 6.834 -4.365 1.00 0.00 N ATOM 1402 CA CYS 2 37 -0.493 7.431 -5.579 1.00 0.00 C ATOM 1403 C CYS 2 37 0.132 8.817 -5.746 1.00 0.00 C ATOM 1404 O CYS 2 37 0.102 9.631 -4.823 1.00 0.00 O ATOM 1405 CB CYS 2 37 -2.022 7.493 -5.555 1.00 0.00 C ATOM 1406 SG CYS 2 37 -2.815 7.521 -7.205 1.00 0.00 S ATOM 0 H CYS 2 37 -0.194 7.334 -3.507 1.00 0.00 H new ATOM 0 HA CYS 2 37 -0.233 6.811 -6.437 1.00 0.00 H new ATOM 0 HB2 CYS 2 37 -2.398 6.633 -5.001 1.00 0.00 H new ATOM 0 HB3 CYS 2 37 -2.327 8.384 -5.006 1.00 0.00 H new ATOM 1411 N PHE 2 38 0.682 9.044 -6.929 1.00 0.00 N ATOM 1412 CA PHE 2 38 1.313 10.318 -7.229 1.00 0.00 C ATOM 1413 C PHE 2 38 0.312 11.294 -7.849 1.00 0.00 C ATOM 1414 O PHE 2 38 -0.306 10.992 -8.868 1.00 0.00 O ATOM 1415 CB PHE 2 38 2.427 10.039 -8.240 1.00 0.00 C ATOM 1416 CG PHE 2 38 3.360 11.226 -8.483 1.00 0.00 C ATOM 1417 CD1 PHE 2 38 4.313 11.541 -7.566 1.00 0.00 C ATOM 1418 CD2 PHE 2 38 3.236 11.969 -9.616 1.00 0.00 C ATOM 1419 CE1 PHE 2 38 5.179 12.643 -7.790 1.00 0.00 C ATOM 1420 CE2 PHE 2 38 4.102 13.071 -9.841 1.00 0.00 C ATOM 1421 CZ PHE 2 38 5.055 13.386 -8.923 1.00 0.00 C ATOM 0 H PHE 2 38 0.704 8.367 -7.692 1.00 0.00 H new ATOM 0 HA PHE 2 38 1.697 10.767 -6.313 1.00 0.00 H new ATOM 0 HB2 PHE 2 38 3.017 9.192 -7.890 1.00 0.00 H new ATOM 0 HB3 PHE 2 38 1.977 9.744 -9.188 1.00 0.00 H new ATOM 0 HD1 PHE 2 38 4.411 10.952 -6.666 1.00 0.00 H new ATOM 0 HD2 PHE 2 38 2.478 11.720 -10.344 1.00 0.00 H new ATOM 0 HE1 PHE 2 38 5.936 12.892 -7.061 1.00 0.00 H new ATOM 0 HE2 PHE 2 38 4.004 13.659 -10.741 1.00 0.00 H new ATOM 0 HZ PHE 2 38 5.713 14.225 -9.093 1.00 0.00 H new ATOM 1431 N ASP 2 39 0.181 12.445 -7.206 1.00 0.00 N ATOM 1432 CA ASP 2 39 -0.737 13.468 -7.680 1.00 0.00 C ATOM 1433 C ASP 2 39 -0.026 14.344 -8.714 1.00 0.00 C ATOM 1434 O ASP 2 39 -0.121 14.095 -9.915 1.00 0.00 O ATOM 1435 CB ASP 2 39 -1.198 14.369 -6.533 1.00 0.00 C ATOM 1436 CG ASP 2 39 -1.709 15.747 -6.960 1.00 0.00 C ATOM 1437 OD1 ASP 2 39 -2.893 15.815 -7.355 1.00 0.00 O ATOM 1438 OD2 ASP 2 39 -0.905 16.700 -6.880 1.00 0.00 O ATOM 0 H ASP 2 39 0.695 12.692 -6.360 1.00 0.00 H new ATOM 0 HA ASP 2 39 -1.603 12.969 -8.116 1.00 0.00 H new ATOM 0 HB2 ASP 2 39 -1.990 13.858 -5.985 1.00 0.00 H new ATOM 0 HB3 ASP 2 39 -0.367 14.504 -5.841 1.00 0.00 H new ATOM 1443 N SER 2 40 0.671 15.352 -8.209 1.00 0.00 N ATOM 1444 CA SER 2 40 1.398 16.266 -9.074 1.00 0.00 C ATOM 1445 C SER 2 40 0.501 17.444 -9.460 1.00 0.00 C ATOM 1446 O SER 2 40 0.994 18.501 -9.853 1.00 0.00 O ATOM 1447 CB SER 2 40 1.906 15.552 -10.328 1.00 0.00 C ATOM 1448 OG SER 2 40 3.111 16.130 -10.820 1.00 0.00 O ATOM 0 H SER 2 40 0.748 15.556 -7.212 1.00 0.00 H new ATOM 0 HA SER 2 40 2.264 16.640 -8.527 1.00 0.00 H new ATOM 0 HB2 SER 2 40 2.075 14.499 -10.102 1.00 0.00 H new ATOM 0 HB3 SER 2 40 1.141 15.593 -11.104 1.00 0.00 H new ATOM 0 HG SER 2 40 3.404 15.645 -11.620 1.00 0.00 H new ATOM 1454 N ARG 2 41 -0.799 17.223 -9.337 1.00 0.00 N ATOM 1455 CA ARG 2 41 -1.769 18.253 -9.668 1.00 0.00 C ATOM 1456 C ARG 2 41 -1.579 19.472 -8.762 1.00 0.00 C ATOM 1457 O ARG 2 41 -1.533 20.604 -9.240 1.00 0.00 O ATOM 1458 CB ARG 2 41 -3.199 17.732 -9.518 1.00 0.00 C ATOM 1459 CG ARG 2 41 -3.371 16.388 -10.228 1.00 0.00 C ATOM 1460 CD ARG 2 41 -4.675 16.351 -11.026 1.00 0.00 C ATOM 1461 NE ARG 2 41 -4.426 16.767 -12.423 1.00 0.00 N ATOM 1462 CZ ARG 2 41 -5.322 16.650 -13.413 1.00 0.00 C ATOM 1463 NH1 ARG 2 41 -6.531 16.128 -13.164 1.00 0.00 N ATOM 1464 NH2 ARG 2 41 -5.008 17.053 -14.652 1.00 0.00 N ATOM 0 H ARG 2 41 -1.204 16.345 -9.012 1.00 0.00 H new ATOM 0 HA ARG 2 41 -1.607 18.540 -10.707 1.00 0.00 H new ATOM 0 HB2 ARG 2 41 -3.441 17.622 -8.461 1.00 0.00 H new ATOM 0 HB3 ARG 2 41 -3.899 18.458 -9.931 1.00 0.00 H new ATOM 0 HG2 ARG 2 41 -2.527 16.215 -10.896 1.00 0.00 H new ATOM 0 HG3 ARG 2 41 -3.367 15.582 -9.494 1.00 0.00 H new ATOM 0 HD2 ARG 2 41 -5.094 15.345 -11.007 1.00 0.00 H new ATOM 0 HD3 ARG 2 41 -5.411 17.012 -10.567 1.00 0.00 H new ATOM 0 HE ARG 2 41 -3.515 17.168 -12.647 1.00 0.00 H new ATOM 0 HH11 ARG 2 41 -6.769 15.820 -12.221 1.00 0.00 H new ATOM 0 HH12 ARG 2 41 -7.213 16.039 -13.917 1.00 0.00 H new ATOM 0 HH21 ARG 2 41 -4.087 17.449 -14.842 1.00 0.00 H new ATOM 0 HH22 ARG 2 41 -5.690 16.964 -15.405 1.00 0.00 H new ATOM 1478 N ILE 2 42 -1.474 19.198 -7.470 1.00 0.00 N ATOM 1479 CA ILE 2 42 -1.292 20.257 -6.492 1.00 0.00 C ATOM 1480 C ILE 2 42 0.069 20.088 -5.812 1.00 0.00 C ATOM 1481 O ILE 2 42 0.283 19.127 -5.075 1.00 0.00 O ATOM 1482 CB ILE 2 42 -2.468 20.293 -5.514 1.00 0.00 C ATOM 1483 CG1 ILE 2 42 -3.758 19.825 -6.191 1.00 0.00 C ATOM 1484 CG2 ILE 2 42 -2.619 21.681 -4.889 1.00 0.00 C ATOM 1485 CD1 ILE 2 42 -4.985 20.249 -5.382 1.00 0.00 C ATOM 0 H ILE 2 42 -1.512 18.257 -7.078 1.00 0.00 H new ATOM 0 HA ILE 2 42 -1.286 21.231 -6.982 1.00 0.00 H new ATOM 0 HB ILE 2 42 -2.259 19.596 -4.702 1.00 0.00 H new ATOM 0 HG12 ILE 2 42 -3.818 20.243 -7.196 1.00 0.00 H new ATOM 0 HG13 ILE 2 42 -3.745 18.740 -6.297 1.00 0.00 H new ATOM 0 HG21 ILE 2 42 -3.462 21.679 -4.198 1.00 0.00 H new ATOM 0 HG22 ILE 2 42 -1.708 21.938 -4.349 1.00 0.00 H new ATOM 0 HG23 ILE 2 42 -2.795 22.416 -5.674 1.00 0.00 H new ATOM 0 HD11 ILE 2 42 -5.889 19.904 -5.884 1.00 0.00 H new ATOM 0 HD12 ILE 2 42 -4.934 19.810 -4.386 1.00 0.00 H new ATOM 0 HD13 ILE 2 42 -5.008 21.336 -5.299 1.00 0.00 H new ATOM 1497 N PRO 2 43 0.976 21.061 -6.092 1.00 0.00 N ATOM 1498 CA PRO 2 43 2.310 21.030 -5.517 1.00 0.00 C ATOM 1499 C PRO 2 43 2.280 21.435 -4.042 1.00 0.00 C ATOM 1500 O PRO 2 43 3.292 21.345 -3.349 1.00 0.00 O ATOM 1501 CB PRO 2 43 3.132 21.977 -6.376 1.00 0.00 C ATOM 1502 CG PRO 2 43 2.128 22.855 -7.106 1.00 0.00 C ATOM 1503 CD PRO 2 43 0.757 22.214 -6.962 1.00 0.00 C ATOM 0 HA PRO 2 43 2.746 20.031 -5.521 1.00 0.00 H new ATOM 0 HB2 PRO 2 43 3.803 22.578 -5.762 1.00 0.00 H new ATOM 0 HB3 PRO 2 43 3.753 21.425 -7.081 1.00 0.00 H new ATOM 0 HG2 PRO 2 43 2.125 23.861 -6.687 1.00 0.00 H new ATOM 0 HG3 PRO 2 43 2.397 22.949 -8.158 1.00 0.00 H new ATOM 0 HD2 PRO 2 43 0.039 22.909 -6.526 1.00 0.00 H new ATOM 0 HD3 PRO 2 43 0.359 21.910 -7.930 1.00 0.00 H new ATOM 1511 N GLY 2 44 1.108 21.872 -3.605 1.00 0.00 N ATOM 1512 CA GLY 2 44 0.933 22.290 -2.224 1.00 0.00 C ATOM 1513 C GLY 2 44 0.338 21.161 -1.380 1.00 0.00 C ATOM 1514 O GLY 2 44 0.115 21.328 -0.183 1.00 0.00 O ATOM 0 H GLY 2 44 0.270 21.946 -4.183 1.00 0.00 H new ATOM 0 HA2 GLY 2 44 1.894 22.593 -1.807 1.00 0.00 H new ATOM 0 HA3 GLY 2 44 0.280 23.162 -2.184 1.00 0.00 H new ATOM 1518 N VAL 2 45 0.099 20.036 -2.038 1.00 0.00 N ATOM 1519 CA VAL 2 45 -0.465 18.879 -1.363 1.00 0.00 C ATOM 1520 C VAL 2 45 0.496 17.697 -1.497 1.00 0.00 C ATOM 1521 O VAL 2 45 1.574 17.831 -2.075 1.00 0.00 O ATOM 1522 CB VAL 2 45 -1.861 18.581 -1.915 1.00 0.00 C ATOM 1523 CG1 VAL 2 45 -2.570 19.869 -2.338 1.00 0.00 C ATOM 1524 CG2 VAL 2 45 -1.790 17.587 -3.076 1.00 0.00 C ATOM 0 H VAL 2 45 0.286 19.901 -3.032 1.00 0.00 H new ATOM 0 HA VAL 2 45 -0.587 19.079 -0.298 1.00 0.00 H new ATOM 0 HB VAL 2 45 -2.446 18.124 -1.117 1.00 0.00 H new ATOM 0 HG11 VAL 2 45 -3.560 19.629 -2.726 1.00 0.00 H new ATOM 0 HG12 VAL 2 45 -2.669 20.530 -1.477 1.00 0.00 H new ATOM 0 HG13 VAL 2 45 -1.987 20.368 -3.113 1.00 0.00 H new ATOM 0 HG21 VAL 2 45 -2.795 17.392 -3.450 1.00 0.00 H new ATOM 0 HG22 VAL 2 45 -1.180 18.005 -3.876 1.00 0.00 H new ATOM 0 HG23 VAL 2 45 -1.345 16.654 -2.730 1.00 0.00 H new ATOM 1534 N PRO 2 46 0.061 16.536 -0.938 1.00 0.00 N ATOM 1535 CA PRO 2 46 0.871 15.331 -0.989 1.00 0.00 C ATOM 1536 C PRO 2 46 0.841 14.709 -2.387 1.00 0.00 C ATOM 1537 O PRO 2 46 -0.219 14.324 -2.876 1.00 0.00 O ATOM 1538 CB PRO 2 46 0.289 14.420 0.079 1.00 0.00 C ATOM 1539 CG PRO 2 46 -1.105 14.953 0.367 1.00 0.00 C ATOM 1540 CD PRO 2 46 -1.208 16.340 -0.245 1.00 0.00 C ATOM 0 HA PRO 2 46 1.926 15.525 -0.796 1.00 0.00 H new ATOM 0 HB2 PRO 2 46 0.248 13.388 -0.268 1.00 0.00 H new ATOM 0 HB3 PRO 2 46 0.904 14.430 0.979 1.00 0.00 H new ATOM 0 HG2 PRO 2 46 -1.862 14.292 -0.056 1.00 0.00 H new ATOM 0 HG3 PRO 2 46 -1.283 14.995 1.441 1.00 0.00 H new ATOM 0 HD2 PRO 2 46 -2.050 16.407 -0.934 1.00 0.00 H new ATOM 0 HD3 PRO 2 46 -1.362 17.100 0.521 1.00 0.00 H new ATOM 1548 N TRP 2 47 2.018 14.631 -2.990 1.00 0.00 N ATOM 1549 CA TRP 2 47 2.140 14.063 -4.322 1.00 0.00 C ATOM 1550 C TRP 2 47 2.455 12.573 -4.173 1.00 0.00 C ATOM 1551 O TRP 2 47 3.094 11.980 -5.040 1.00 0.00 O ATOM 1552 CB TRP 2 47 3.187 14.815 -5.145 1.00 0.00 C ATOM 1553 CG TRP 2 47 3.585 16.171 -4.557 1.00 0.00 C ATOM 1554 CD1 TRP 2 47 2.911 17.326 -4.620 1.00 0.00 C ATOM 1555 CD2 TRP 2 47 4.785 16.466 -3.811 1.00 0.00 C ATOM 1556 NE1 TRP 2 47 3.584 18.341 -3.971 1.00 0.00 N ATOM 1557 CE2 TRP 2 47 4.761 17.801 -3.463 1.00 0.00 C ATOM 1558 CE3 TRP 2 47 5.855 15.631 -3.442 1.00 0.00 C ATOM 1559 CZ2 TRP 2 47 5.779 18.421 -2.729 1.00 0.00 C ATOM 1560 CZ3 TRP 2 47 6.865 16.267 -2.709 1.00 0.00 C ATOM 1561 CH2 TRP 2 47 6.856 17.609 -2.351 1.00 0.00 C ATOM 0 H TRP 2 47 2.896 14.952 -2.581 1.00 0.00 H new ATOM 0 HA TRP 2 47 1.206 14.169 -4.873 1.00 0.00 H new ATOM 0 HB2 TRP 2 47 4.078 14.194 -5.235 1.00 0.00 H new ATOM 0 HB3 TRP 2 47 2.801 14.967 -6.153 1.00 0.00 H new ATOM 0 HD1 TRP 2 47 1.960 17.448 -5.117 1.00 0.00 H new ATOM 0 HE1 TRP 2 47 3.275 19.309 -3.880 1.00 0.00 H new ATOM 0 HE3 TRP 2 47 5.895 14.584 -3.703 1.00 0.00 H new ATOM 0 HZ2 TRP 2 47 5.736 19.468 -2.468 1.00 0.00 H new ATOM 0 HZ3 TRP 2 47 7.711 15.671 -2.400 1.00 0.00 H new ATOM 0 HH2 TRP 2 47 7.676 18.025 -1.784 1.00 0.00 H new ATOM 1572 N CYS 2 48 1.989 12.010 -3.067 1.00 0.00 N ATOM 1573 CA CYS 2 48 2.212 10.601 -2.794 1.00 0.00 C ATOM 1574 C CYS 2 48 1.359 10.204 -1.588 1.00 0.00 C ATOM 1575 O CYS 2 48 1.696 10.528 -0.450 1.00 0.00 O ATOM 1576 CB CYS 2 48 3.695 10.296 -2.569 1.00 0.00 C ATOM 1577 SG CYS 2 48 4.110 8.515 -2.499 1.00 0.00 S ATOM 0 H CYS 2 48 1.458 12.505 -2.350 1.00 0.00 H new ATOM 0 HA CYS 2 48 1.914 10.009 -3.659 1.00 0.00 H new ATOM 0 HB2 CYS 2 48 4.272 10.758 -3.370 1.00 0.00 H new ATOM 0 HB3 CYS 2 48 4.011 10.765 -1.637 1.00 0.00 H new ATOM 1582 N PHE 2 49 0.268 9.510 -1.877 1.00 0.00 N ATOM 1583 CA PHE 2 49 -0.636 9.066 -0.830 1.00 0.00 C ATOM 1584 C PHE 2 49 -1.091 7.625 -1.073 1.00 0.00 C ATOM 1585 O PHE 2 49 -0.541 6.932 -1.927 1.00 0.00 O ATOM 1586 CB PHE 2 49 -1.856 9.987 -0.873 1.00 0.00 C ATOM 1587 CG PHE 2 49 -2.133 10.590 -2.252 1.00 0.00 C ATOM 1588 CD1 PHE 2 49 -1.240 11.451 -2.809 1.00 0.00 C ATOM 1589 CD2 PHE 2 49 -3.271 10.264 -2.921 1.00 0.00 C ATOM 1590 CE1 PHE 2 49 -1.496 12.011 -4.089 1.00 0.00 C ATOM 1591 CE2 PHE 2 49 -3.528 10.823 -4.201 1.00 0.00 C ATOM 1592 CZ PHE 2 49 -2.635 11.684 -4.757 1.00 0.00 C ATOM 0 H PHE 2 49 -0.010 9.244 -2.822 1.00 0.00 H new ATOM 0 HA PHE 2 49 -0.133 9.102 0.136 1.00 0.00 H new ATOM 0 HB2 PHE 2 49 -2.733 9.426 -0.550 1.00 0.00 H new ATOM 0 HB3 PHE 2 49 -1.713 10.796 -0.156 1.00 0.00 H new ATOM 0 HD1 PHE 2 49 -0.336 11.709 -2.278 1.00 0.00 H new ATOM 0 HD2 PHE 2 49 -3.980 9.580 -2.479 1.00 0.00 H new ATOM 0 HE1 PHE 2 49 -0.787 12.695 -4.531 1.00 0.00 H new ATOM 0 HE2 PHE 2 49 -4.432 10.564 -4.732 1.00 0.00 H new ATOM 0 HZ PHE 2 49 -2.830 12.109 -5.730 1.00 0.00 H new ATOM 1602 N LYS 2 50 -2.091 7.217 -0.306 1.00 0.00 N ATOM 1603 CA LYS 2 50 -2.625 5.871 -0.426 1.00 0.00 C ATOM 1604 C LYS 2 50 -4.132 5.946 -0.683 1.00 0.00 C ATOM 1605 O LYS 2 50 -4.931 5.577 0.175 1.00 0.00 O ATOM 1606 CB LYS 2 50 -2.253 5.034 0.799 1.00 0.00 C ATOM 1607 CG LYS 2 50 -2.706 5.718 2.089 1.00 0.00 C ATOM 1608 CD LYS 2 50 -1.539 5.881 3.065 1.00 0.00 C ATOM 1609 CE LYS 2 50 -0.342 6.545 2.381 1.00 0.00 C ATOM 1610 NZ LYS 2 50 0.865 5.698 2.512 1.00 0.00 N ATOM 0 H LYS 2 50 -2.546 7.795 0.401 1.00 0.00 H new ATOM 0 HA LYS 2 50 -2.179 5.360 -1.279 1.00 0.00 H new ATOM 0 HB2 LYS 2 50 -2.714 4.049 0.724 1.00 0.00 H new ATOM 0 HB3 LYS 2 50 -1.174 4.880 0.824 1.00 0.00 H new ATOM 0 HG2 LYS 2 50 -3.129 6.695 1.857 1.00 0.00 H new ATOM 0 HG3 LYS 2 50 -3.496 5.131 2.557 1.00 0.00 H new ATOM 0 HD2 LYS 2 50 -1.855 6.482 3.918 1.00 0.00 H new ATOM 0 HD3 LYS 2 50 -1.246 4.906 3.453 1.00 0.00 H new ATOM 0 HE2 LYS 2 50 -0.564 6.711 1.327 1.00 0.00 H new ATOM 0 HE3 LYS 2 50 -0.158 7.523 2.826 1.00 0.00 H new ATOM 0 HZ1 LYS 2 50 1.485 5.847 1.690 1.00 0.00 H new ATOM 0 HZ2 LYS 2 50 1.375 5.953 3.381 1.00 0.00 H new ATOM 0 HZ3 LYS 2 50 0.584 4.698 2.557 1.00 0.00 H new ATOM 1624 N PRO 2 51 -4.484 6.441 -1.901 1.00 0.00 N ATOM 1625 CA PRO 2 51 -5.880 6.569 -2.281 1.00 0.00 C ATOM 1626 C PRO 2 51 -6.483 5.206 -2.623 1.00 0.00 C ATOM 1627 O PRO 2 51 -6.900 4.467 -1.732 1.00 0.00 O ATOM 1628 CB PRO 2 51 -5.879 7.530 -3.460 1.00 0.00 C ATOM 1629 CG PRO 2 51 -4.454 7.541 -3.988 1.00 0.00 C ATOM 1630 CD PRO 2 51 -3.564 6.889 -2.943 1.00 0.00 C ATOM 0 HA PRO 2 51 -6.503 6.951 -1.472 1.00 0.00 H new ATOM 0 HB2 PRO 2 51 -6.578 7.204 -4.230 1.00 0.00 H new ATOM 0 HB3 PRO 2 51 -6.188 8.528 -3.150 1.00 0.00 H new ATOM 0 HG2 PRO 2 51 -4.393 7.000 -4.932 1.00 0.00 H new ATOM 0 HG3 PRO 2 51 -4.127 8.562 -4.184 1.00 0.00 H new ATOM 0 HD2 PRO 2 51 -3.005 6.053 -3.364 1.00 0.00 H new ATOM 0 HD3 PRO 2 51 -2.833 7.595 -2.549 1.00 0.00 H new ATOM 1638 N LEU 2 52 -6.510 4.914 -3.914 1.00 0.00 N ATOM 1639 CA LEU 2 52 -7.056 3.651 -4.385 1.00 0.00 C ATOM 1640 C LEU 2 52 -5.918 2.645 -4.566 1.00 0.00 C ATOM 1641 O LEU 2 52 -5.919 1.867 -5.518 1.00 0.00 O ATOM 1642 CB LEU 2 52 -7.893 3.867 -5.647 1.00 0.00 C ATOM 1643 CG LEU 2 52 -7.146 3.748 -6.976 1.00 0.00 C ATOM 1644 CD1 LEU 2 52 -7.561 2.480 -7.727 1.00 0.00 C ATOM 1645 CD2 LEU 2 52 -7.335 5.006 -7.827 1.00 0.00 C ATOM 0 H LEU 2 52 -6.163 5.529 -4.650 1.00 0.00 H new ATOM 0 HA LEU 2 52 -7.739 3.231 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU 2 52 -8.709 3.144 -5.646 1.00 0.00 H new ATOM 0 HB3 LEU 2 52 -8.345 4.858 -5.594 1.00 0.00 H new ATOM 0 HG LEU 2 52 -6.081 3.662 -6.762 1.00 0.00 H new ATOM 0 HD11 LEU 2 52 -7.015 2.420 -8.669 1.00 0.00 H new ATOM 0 HD12 LEU 2 52 -7.332 1.605 -7.118 1.00 0.00 H new ATOM 0 HD13 LEU 2 52 -8.632 2.511 -7.930 1.00 0.00 H new ATOM 0 HD21 LEU 2 52 -6.793 4.895 -8.766 1.00 0.00 H new ATOM 0 HD22 LEU 2 52 -8.395 5.149 -8.034 1.00 0.00 H new ATOM 0 HD23 LEU 2 52 -6.951 5.872 -7.287 1.00 0.00 H new ATOM 1657 N GLN 2 53 -4.974 2.693 -3.637 1.00 0.00 N ATOM 1658 CA GLN 2 53 -3.833 1.795 -3.682 1.00 0.00 C ATOM 1659 C GLN 2 53 -4.303 0.345 -3.806 1.00 0.00 C ATOM 1660 O GLN 2 53 -3.529 -0.533 -4.187 1.00 0.00 O ATOM 1661 CB GLN 2 53 -2.941 1.979 -2.453 1.00 0.00 C ATOM 1662 CG GLN 2 53 -2.370 3.398 -2.397 1.00 0.00 C ATOM 1663 CD GLN 2 53 -1.561 3.714 -3.657 1.00 0.00 C ATOM 1664 OE1 GLN 2 53 -1.586 4.814 -4.182 1.00 0.00 O ATOM 1665 NE2 GLN 2 53 -0.844 2.689 -4.110 1.00 0.00 N ATOM 0 H GLN 2 53 -4.976 3.340 -2.849 1.00 0.00 H new ATOM 0 HA GLN 2 53 -3.238 2.040 -4.562 1.00 0.00 H new ATOM 0 HB2 GLN 2 53 -3.516 1.779 -1.549 1.00 0.00 H new ATOM 0 HB3 GLN 2 53 -2.126 1.256 -2.479 1.00 0.00 H new ATOM 0 HG2 GLN 2 53 -3.183 4.117 -2.293 1.00 0.00 H new ATOM 0 HG3 GLN 2 53 -1.736 3.504 -1.517 1.00 0.00 H new ATOM 0 HE21 GLN 2 53 -0.869 1.794 -3.622 1.00 0.00 H new ATOM 0 HE22 GLN 2 53 -0.270 2.798 -4.946 1.00 0.00 H new ATOM 1674 N GLU 2 54 -5.570 0.137 -3.477 1.00 0.00 N ATOM 1675 CA GLU 2 54 -6.153 -1.193 -3.547 1.00 0.00 C ATOM 1676 C GLU 2 54 -5.695 -1.907 -4.821 1.00 0.00 C ATOM 1677 O GLU 2 54 -5.660 -3.135 -4.869 1.00 0.00 O ATOM 1678 CB GLU 2 54 -7.679 -1.127 -3.475 1.00 0.00 C ATOM 1679 CG GLU 2 54 -8.256 -0.409 -4.696 1.00 0.00 C ATOM 1680 CD GLU 2 54 -9.659 -0.924 -5.023 1.00 0.00 C ATOM 1681 OE1 GLU 2 54 -10.583 -0.583 -4.252 1.00 0.00 O ATOM 1682 OE2 GLU 2 54 -9.776 -1.646 -6.036 1.00 0.00 O ATOM 0 H GLU 2 54 -6.209 0.867 -3.161 1.00 0.00 H new ATOM 0 HA GLU 2 54 -5.806 -1.766 -2.687 1.00 0.00 H new ATOM 0 HB2 GLU 2 54 -8.088 -2.136 -3.415 1.00 0.00 H new ATOM 0 HB3 GLU 2 54 -7.981 -0.606 -2.566 1.00 0.00 H new ATOM 0 HG2 GLU 2 54 -8.293 0.664 -4.507 1.00 0.00 H new ATOM 0 HG3 GLU 2 54 -7.601 -0.559 -5.554 1.00 0.00 H new ATOM 1689 N ALA 2 55 -5.356 -1.107 -5.820 1.00 0.00 N ATOM 1690 CA ALA 2 55 -4.902 -1.647 -7.090 1.00 0.00 C ATOM 1691 C ALA 2 55 -4.031 -2.879 -6.833 1.00 0.00 C ATOM 1692 O ALA 2 55 -4.523 -4.005 -6.852 1.00 0.00 O ATOM 1693 CB ALA 2 55 -4.159 -0.561 -7.872 1.00 0.00 C ATOM 0 H ALA 2 55 -5.386 -0.088 -5.776 1.00 0.00 H new ATOM 0 HA ALA 2 55 -5.750 -1.963 -7.697 1.00 0.00 H new ATOM 0 HB1 ALA 2 55 -3.819 -0.967 -8.825 1.00 0.00 H new ATOM 0 HB2 ALA 2 55 -4.829 0.279 -8.054 1.00 0.00 H new ATOM 0 HB3 ALA 2 55 -3.299 -0.221 -7.295 1.00 0.00 H new ATOM 1699 N GLU 2 56 -2.752 -2.622 -6.600 1.00 0.00 N ATOM 1700 CA GLU 2 56 -1.809 -3.695 -6.341 1.00 0.00 C ATOM 1701 C GLU 2 56 -1.329 -3.641 -4.889 1.00 0.00 C ATOM 1702 O GLU 2 56 -0.312 -4.239 -4.544 1.00 0.00 O ATOM 1703 CB GLU 2 56 -0.627 -3.633 -7.310 1.00 0.00 C ATOM 1704 CG GLU 2 56 -0.649 -4.817 -8.278 1.00 0.00 C ATOM 1705 CD GLU 2 56 0.431 -4.669 -9.352 1.00 0.00 C ATOM 1706 OE1 GLU 2 56 0.164 -3.937 -10.329 1.00 0.00 O ATOM 1707 OE2 GLU 2 56 1.500 -5.291 -9.171 1.00 0.00 O ATOM 0 H GLU 2 56 -2.347 -1.686 -6.585 1.00 0.00 H new ATOM 0 HA GLU 2 56 -2.318 -4.645 -6.501 1.00 0.00 H new ATOM 0 HB2 GLU 2 56 -0.661 -2.699 -7.871 1.00 0.00 H new ATOM 0 HB3 GLU 2 56 0.308 -3.634 -6.749 1.00 0.00 H new ATOM 0 HG2 GLU 2 56 -0.494 -5.745 -7.727 1.00 0.00 H new ATOM 0 HG3 GLU 2 56 -1.629 -4.887 -8.750 1.00 0.00 H new ATOM 1714 N CYS 2 57 -2.086 -2.917 -4.076 1.00 0.00 N ATOM 1715 CA CYS 2 57 -1.752 -2.778 -2.669 1.00 0.00 C ATOM 1716 C CYS 2 57 -2.547 -3.819 -1.880 1.00 0.00 C ATOM 1717 O CYS 2 57 -1.973 -4.763 -1.337 1.00 0.00 O ATOM 1718 CB CYS 2 57 -2.014 -1.357 -2.164 1.00 0.00 C ATOM 1719 SG CYS 2 57 -1.150 -0.922 -0.611 1.00 0.00 S ATOM 0 H CYS 2 57 -2.929 -2.421 -4.365 1.00 0.00 H new ATOM 0 HA CYS 2 57 -0.686 -2.954 -2.527 1.00 0.00 H new ATOM 0 HB2 CYS 2 57 -1.716 -0.651 -2.939 1.00 0.00 H new ATOM 0 HB3 CYS 2 57 -3.086 -1.232 -2.014 1.00 0.00 H new ATOM 1724 N THR 2 58 -3.855 -3.615 -1.842 1.00 0.00 N ATOM 1725 CA THR 2 58 -4.734 -4.526 -1.128 1.00 0.00 C ATOM 1726 C THR 2 58 -4.346 -5.977 -1.415 1.00 0.00 C ATOM 1727 O THR 2 58 -4.611 -6.866 -0.608 1.00 0.00 O ATOM 1728 CB THR 2 58 -6.176 -4.194 -1.520 1.00 0.00 C ATOM 1729 OG1 THR 2 58 -6.966 -4.983 -0.634 1.00 0.00 O ATOM 1730 CG2 THR 2 58 -6.541 -4.716 -2.910 1.00 0.00 C ATOM 0 H THR 2 58 -4.328 -2.832 -2.294 1.00 0.00 H new ATOM 0 HA THR 2 58 -4.638 -4.405 -0.049 1.00 0.00 H new ATOM 0 HB THR 2 58 -6.321 -3.114 -1.489 1.00 0.00 H new ATOM 0 HG1 THR 2 58 -7.916 -4.828 -0.817 1.00 0.00 H new ATOM 0 HG21 THR 2 58 -7.574 -4.453 -3.138 1.00 0.00 H new ATOM 0 HG22 THR 2 58 -5.881 -4.268 -3.652 1.00 0.00 H new ATOM 0 HG23 THR 2 58 -6.429 -5.800 -2.933 1.00 0.00 H new ATOM 1738 N PHE 2 59 -3.724 -6.172 -2.568 1.00 0.00 N ATOM 1739 CA PHE 2 59 -3.296 -7.501 -2.972 1.00 0.00 C ATOM 1740 C PHE 2 59 -2.001 -7.900 -2.260 1.00 0.00 C ATOM 1741 O PHE 2 59 -0.927 -7.880 -2.859 1.00 0.00 O ATOM 1742 CB PHE 2 59 -3.039 -7.449 -4.480 1.00 0.00 C ATOM 1743 CG PHE 2 59 -4.267 -7.775 -5.331 1.00 0.00 C ATOM 1744 CD1 PHE 2 59 -4.568 -9.069 -5.625 1.00 0.00 C ATOM 1745 CD2 PHE 2 59 -5.059 -6.771 -5.796 1.00 0.00 C ATOM 1746 CE1 PHE 2 59 -5.708 -9.371 -6.415 1.00 0.00 C ATOM 1747 CE2 PHE 2 59 -6.199 -7.074 -6.585 1.00 0.00 C ATOM 1748 CZ PHE 2 59 -6.500 -8.367 -6.879 1.00 0.00 C ATOM 0 H PHE 2 59 -3.506 -5.432 -3.236 1.00 0.00 H new ATOM 0 HA PHE 2 59 -4.062 -8.233 -2.714 1.00 0.00 H new ATOM 0 HB2 PHE 2 59 -2.681 -6.454 -4.743 1.00 0.00 H new ATOM 0 HB3 PHE 2 59 -2.242 -8.150 -4.727 1.00 0.00 H new ATOM 0 HD1 PHE 2 59 -3.939 -9.866 -5.257 1.00 0.00 H new ATOM 0 HD2 PHE 2 59 -4.820 -5.743 -5.565 1.00 0.00 H new ATOM 0 HE1 PHE 2 59 -5.947 -10.398 -6.648 1.00 0.00 H new ATOM 0 HE2 PHE 2 59 -6.828 -6.277 -6.952 1.00 0.00 H new ATOM 0 HZ PHE 2 59 -7.367 -8.597 -7.480 1.00 0.00 H new TER 1758 PHE 2 59