USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 394 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 Single : A 1 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -53:sc= 0.00545 USER MOD Single : A 13 SER OG : rot -140:sc= 0 USER MOD Single : A 20 SER OG : rot -30:sc= 0.518 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= -0.148 USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 GLN : amide:sc= -2.42! C(o=-2.4!,f=-3.3!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -42:sc= 0.0162 USER MOD Single : A 28 ASN : amide:sc= -0.315 X(o=-0.31,f=-0.45) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.3 USER MOD Single : A 31 HIS : no HD1:sc= -0.28 X(o=-0.28,f=-0.12) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 37:sc= 0.0438 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 36 SER OG : rot -78:sc= 1.35 USER MOD Single : A 41 ASN : amide:sc= 0.0484 K(o=0.048,f=-0.85) USER MOD Single : A 43 ASN : amide:sc= -0.58 K(o=-0.58,f=-1.6) USER MOD Single : A 47 THR OG1 : rot 180:sc=-0.00108 USER MOD Single : A 52 ASN : amide:sc= -0.358 X(o=-0.36,f=-0.56) USER MOD Single : A 54 THR OG1 : rot -36:sc= 0.074 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 12.243 -5.458 2.092 1.00 0.00 N ATOM 2 CA ARG A 1 10.825 -5.092 2.136 1.00 0.00 C ATOM 3 C ARG A 1 10.043 -6.174 2.883 1.00 0.00 C ATOM 4 O ARG A 1 10.096 -7.340 2.488 1.00 0.00 O ATOM 5 CB ARG A 1 10.245 -4.842 0.742 1.00 0.00 C ATOM 6 CG ARG A 1 10.655 -5.789 -0.404 1.00 0.00 C ATOM 7 CD ARG A 1 11.838 -5.309 -1.264 1.00 0.00 C ATOM 8 NE ARG A 1 13.150 -5.881 -0.909 1.00 0.00 N ATOM 9 CZ ARG A 1 13.676 -7.000 -1.443 1.00 0.00 C ATOM 10 NH1 ARG A 1 12.948 -7.791 -2.228 1.00 0.00 N ATOM 11 NH2 ARG A 1 14.942 -7.312 -1.190 1.00 0.00 N ATOM 0 H1 ARG A 1 12.776 -4.723 1.584 1.00 0.00 H new ATOM 0 H2 ARG A 1 12.610 -5.544 3.061 1.00 0.00 H new ATOM 0 H3 ARG A 1 12.352 -6.367 1.599 1.00 0.00 H new ATOM 0 HA ARG A 1 10.733 -4.149 2.674 1.00 0.00 H new ATOM 0 HB2 ARG A 1 9.159 -4.872 0.824 1.00 0.00 H new ATOM 0 HB3 ARG A 1 10.515 -3.828 0.447 1.00 0.00 H new ATOM 0 HG2 ARG A 1 10.908 -6.760 0.022 1.00 0.00 H new ATOM 0 HG3 ARG A 1 9.793 -5.941 -1.054 1.00 0.00 H new ATOM 0 HD2 ARG A 1 11.627 -5.546 -2.307 1.00 0.00 H new ATOM 0 HD3 ARG A 1 11.902 -4.223 -1.191 1.00 0.00 H new ATOM 0 HE ARG A 1 13.702 -5.391 -0.205 1.00 0.00 H new ATOM 0 HH11 ARG A 1 11.977 -7.553 -2.433 1.00 0.00 H new ATOM 0 HH12 ARG A 1 13.361 -8.635 -2.625 1.00 0.00 H new ATOM 0 HH21 ARG A 1 15.508 -6.706 -0.596 1.00 0.00 H new ATOM 0 HH22 ARG A 1 15.349 -8.158 -1.590 1.00 0.00 H new ATOM 25 N PRO A 2 9.351 -5.821 3.979 1.00 0.00 N ATOM 26 CA PRO A 2 8.582 -6.767 4.770 1.00 0.00 C ATOM 27 C PRO A 2 7.448 -7.347 3.932 1.00 0.00 C ATOM 28 O PRO A 2 6.835 -6.644 3.126 1.00 0.00 O ATOM 29 CB PRO A 2 8.065 -5.982 5.974 1.00 0.00 C ATOM 30 CG PRO A 2 8.028 -4.544 5.473 1.00 0.00 C ATOM 31 CD PRO A 2 9.218 -4.484 4.522 1.00 0.00 C ATOM 0 HA PRO A 2 9.180 -7.616 5.101 1.00 0.00 H new ATOM 0 HB2 PRO A 2 7.077 -6.325 6.282 1.00 0.00 H new ATOM 0 HB3 PRO A 2 8.723 -6.090 6.836 1.00 0.00 H new ATOM 0 HG2 PRO A 2 7.092 -4.318 4.963 1.00 0.00 H new ATOM 0 HG3 PRO A 2 8.127 -3.829 6.290 1.00 0.00 H new ATOM 0 HD2 PRO A 2 9.050 -3.754 3.730 1.00 0.00 H new ATOM 0 HD3 PRO A 2 10.124 -4.182 5.047 1.00 0.00 H new ATOM 39 N ARG A 3 7.102 -8.612 4.182 1.00 0.00 N ATOM 40 CA ARG A 3 6.052 -9.305 3.434 1.00 0.00 C ATOM 41 C ARG A 3 4.685 -8.626 3.494 1.00 0.00 C ATOM 42 O ARG A 3 3.863 -8.864 2.618 1.00 0.00 O ATOM 43 CB ARG A 3 6.010 -10.801 3.801 1.00 0.00 C ATOM 44 CG ARG A 3 5.345 -11.166 5.144 1.00 0.00 C ATOM 45 CD ARG A 3 3.830 -11.381 5.003 1.00 0.00 C ATOM 46 NE ARG A 3 3.235 -11.992 6.205 1.00 0.00 N ATOM 47 CZ ARG A 3 2.929 -13.290 6.357 1.00 0.00 C ATOM 48 NH1 ARG A 3 3.338 -14.207 5.486 1.00 0.00 N ATOM 49 NH2 ARG A 3 2.214 -13.677 7.401 1.00 0.00 N ATOM 0 H ARG A 3 7.540 -9.182 4.906 1.00 0.00 H new ATOM 0 HA ARG A 3 6.325 -9.234 2.381 1.00 0.00 H new ATOM 0 HB2 ARG A 3 5.486 -11.332 3.006 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.033 -11.177 3.814 1.00 0.00 H new ATOM 0 HG2 ARG A 3 5.803 -12.072 5.540 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.532 -10.372 5.867 1.00 0.00 H new ATOM 0 HD2 ARG A 3 3.347 -10.424 4.808 1.00 0.00 H new ATOM 0 HD3 ARG A 3 3.635 -12.018 4.140 1.00 0.00 H new ATOM 0 HE ARG A 3 3.038 -11.373 6.992 1.00 0.00 H new ATOM 0 HH11 ARG A 3 3.898 -13.930 4.679 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.092 -15.187 5.624 1.00 0.00 H new ATOM 0 HH21 ARG A 3 1.898 -12.990 8.086 1.00 0.00 H new ATOM 0 HH22 ARG A 3 1.979 -14.662 7.521 1.00 0.00 H new ATOM 63 N PHE A 4 4.397 -7.800 4.505 1.00 0.00 N ATOM 64 CA PHE A 4 3.095 -7.143 4.559 1.00 0.00 C ATOM 65 C PHE A 4 2.954 -6.102 3.438 1.00 0.00 C ATOM 66 O PHE A 4 1.836 -5.785 3.034 1.00 0.00 O ATOM 67 CB PHE A 4 2.852 -6.524 5.939 1.00 0.00 C ATOM 68 CG PHE A 4 3.517 -5.185 6.173 1.00 0.00 C ATOM 69 CD1 PHE A 4 2.923 -4.010 5.676 1.00 0.00 C ATOM 70 CD2 PHE A 4 4.713 -5.107 6.903 1.00 0.00 C ATOM 71 CE1 PHE A 4 3.525 -2.766 5.927 1.00 0.00 C ATOM 72 CE2 PHE A 4 5.315 -3.862 7.145 1.00 0.00 C ATOM 73 CZ PHE A 4 4.720 -2.690 6.657 1.00 0.00 C ATOM 0 H PHE A 4 5.029 -7.577 5.274 1.00 0.00 H new ATOM 0 HA PHE A 4 2.327 -7.899 4.398 1.00 0.00 H new ATOM 0 HB2 PHE A 4 1.778 -6.408 6.083 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.202 -7.223 6.699 1.00 0.00 H new ATOM 0 HD1 PHE A 4 2.008 -4.065 5.104 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.172 -6.009 7.280 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.065 -1.862 5.555 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.236 -3.807 7.707 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.181 -1.731 6.843 1.00 0.00 H new ATOM 83 N CYS A 5 4.067 -5.557 2.936 1.00 0.00 N ATOM 84 CA CYS A 5 4.050 -4.564 1.877 1.00 0.00 C ATOM 85 C CYS A 5 3.744 -5.167 0.502 1.00 0.00 C ATOM 86 O CYS A 5 3.421 -4.415 -0.414 1.00 0.00 O ATOM 87 CB CYS A 5 5.412 -3.851 1.832 1.00 0.00 C ATOM 88 SG CYS A 5 5.384 -2.103 2.280 1.00 0.00 S ATOM 0 H CYS A 5 5.004 -5.798 3.259 1.00 0.00 H new ATOM 0 HA CYS A 5 3.250 -3.860 2.103 1.00 0.00 H new ATOM 0 HB2 CYS A 5 6.097 -4.370 2.502 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.819 -3.944 0.825 1.00 0.00 H new ATOM 93 N GLU A 6 3.819 -6.491 0.345 1.00 0.00 N ATOM 94 CA GLU A 6 3.587 -7.161 -0.938 1.00 0.00 C ATOM 95 C GLU A 6 2.234 -7.861 -1.027 1.00 0.00 C ATOM 96 O GLU A 6 2.081 -8.792 -1.819 1.00 0.00 O ATOM 97 CB GLU A 6 4.765 -8.100 -1.256 1.00 0.00 C ATOM 98 CG GLU A 6 4.860 -9.423 -0.478 1.00 0.00 C ATOM 99 CD GLU A 6 5.878 -10.388 -1.095 1.00 0.00 C ATOM 100 OE1 GLU A 6 7.015 -9.959 -1.412 1.00 0.00 O ATOM 101 OE2 GLU A 6 5.578 -11.596 -1.225 1.00 0.00 O ATOM 0 H GLU A 6 4.043 -7.131 1.107 1.00 0.00 H new ATOM 0 HA GLU A 6 3.541 -6.390 -1.707 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.725 -8.339 -2.319 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.689 -7.546 -1.088 1.00 0.00 H new ATOM 0 HG2 GLU A 6 5.139 -9.215 0.555 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.880 -9.899 -0.454 1.00 0.00 H new ATOM 108 N LEU A 7 1.267 -7.509 -0.175 1.00 0.00 N ATOM 109 CA LEU A 7 -0.041 -8.151 -0.219 1.00 0.00 C ATOM 110 C LEU A 7 -0.872 -7.488 -1.307 1.00 0.00 C ATOM 111 O LEU A 7 -0.498 -6.436 -1.826 1.00 0.00 O ATOM 112 CB LEU A 7 -0.718 -8.108 1.152 1.00 0.00 C ATOM 113 CG LEU A 7 0.157 -8.672 2.282 1.00 0.00 C ATOM 114 CD1 LEU A 7 -0.653 -8.715 3.573 1.00 0.00 C ATOM 115 CD2 LEU A 7 0.734 -10.059 2.018 1.00 0.00 C ATOM 0 H LEU A 7 1.367 -6.792 0.543 1.00 0.00 H new ATOM 0 HA LEU A 7 0.066 -9.207 -0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -0.982 -7.077 1.387 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.649 -8.673 1.107 1.00 0.00 H new ATOM 0 HG LEU A 7 1.011 -7.998 2.355 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.035 -9.115 4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.978 -7.707 3.832 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -1.525 -9.354 3.434 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.336 -10.371 2.871 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.079 -10.769 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.358 -10.029 1.125 1.00 0.00 H new ATOM 127 N ALA A 8 -1.970 -8.120 -1.693 1.00 0.00 N ATOM 128 CA ALA A 8 -2.851 -7.609 -2.729 1.00 0.00 C ATOM 129 C ALA A 8 -3.980 -6.868 -2.026 1.00 0.00 C ATOM 130 O ALA A 8 -4.594 -7.463 -1.133 1.00 0.00 O ATOM 131 CB ALA A 8 -3.385 -8.771 -3.560 1.00 0.00 C ATOM 0 H ALA A 8 -2.276 -9.007 -1.293 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.329 -6.934 -3.407 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.046 -8.389 -4.338 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.552 -9.302 -4.021 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -3.939 -9.454 -2.916 1.00 0.00 H new ATOM 137 N PRO A 9 -4.287 -5.613 -2.383 1.00 0.00 N ATOM 138 CA PRO A 9 -5.350 -4.894 -1.712 1.00 0.00 C ATOM 139 C PRO A 9 -6.730 -5.482 -2.009 1.00 0.00 C ATOM 140 O PRO A 9 -7.240 -5.351 -3.120 1.00 0.00 O ATOM 141 CB PRO A 9 -5.232 -3.444 -2.182 1.00 0.00 C ATOM 142 CG PRO A 9 -4.594 -3.571 -3.559 1.00 0.00 C ATOM 143 CD PRO A 9 -3.662 -4.777 -3.403 1.00 0.00 C ATOM 0 HA PRO A 9 -5.248 -4.970 -0.629 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.206 -2.958 -2.234 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.615 -2.851 -1.506 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.341 -3.737 -4.335 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -4.045 -2.670 -3.833 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.556 -5.317 -4.344 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.663 -4.466 -3.099 1.00 0.00 H new ATOM 151 N SER A 10 -7.363 -6.071 -0.991 1.00 0.00 N ATOM 152 CA SER A 10 -8.695 -6.670 -1.064 1.00 0.00 C ATOM 153 C SER A 10 -9.762 -5.554 -0.984 1.00 0.00 C ATOM 154 O SER A 10 -10.704 -5.620 -0.192 1.00 0.00 O ATOM 155 CB SER A 10 -8.807 -7.729 0.051 1.00 0.00 C ATOM 156 OG SER A 10 -9.955 -8.544 -0.060 1.00 0.00 O ATOM 0 H SER A 10 -6.947 -6.146 -0.063 1.00 0.00 H new ATOM 0 HA SER A 10 -8.865 -7.181 -2.012 1.00 0.00 H new ATOM 0 HB2 SER A 10 -7.919 -8.361 0.032 1.00 0.00 H new ATOM 0 HB3 SER A 10 -8.820 -7.227 1.018 1.00 0.00 H new ATOM 0 HG SER A 10 -10.753 -7.978 -0.123 1.00 0.00 H new ATOM 162 N ALA A 11 -9.586 -4.469 -1.745 1.00 0.00 N ATOM 163 CA ALA A 11 -10.480 -3.314 -1.768 1.00 0.00 C ATOM 164 C ALA A 11 -11.875 -3.613 -2.339 1.00 0.00 C ATOM 165 O ALA A 11 -12.779 -2.795 -2.211 1.00 0.00 O ATOM 166 CB ALA A 11 -9.797 -2.180 -2.549 1.00 0.00 C ATOM 0 H ALA A 11 -8.793 -4.370 -2.379 1.00 0.00 H new ATOM 0 HA ALA A 11 -10.658 -3.018 -0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.453 -1.310 -2.575 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.860 -1.914 -2.059 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.593 -2.511 -3.567 1.00 0.00 H new ATOM 172 N GLY A 12 -12.098 -4.774 -2.949 1.00 0.00 N ATOM 173 CA GLY A 12 -13.392 -5.122 -3.522 1.00 0.00 C ATOM 174 C GLY A 12 -14.394 -5.629 -2.485 1.00 0.00 C ATOM 175 O GLY A 12 -15.564 -5.839 -2.811 1.00 0.00 O ATOM 0 H GLY A 12 -11.388 -5.498 -3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -13.808 -4.247 -4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -13.250 -5.887 -4.285 1.00 0.00 H new ATOM 179 N SER A 13 -13.955 -5.800 -1.237 1.00 0.00 N ATOM 180 CA SER A 13 -14.744 -6.300 -0.129 1.00 0.00 C ATOM 181 C SER A 13 -16.113 -5.637 0.034 1.00 0.00 C ATOM 182 O SER A 13 -17.122 -6.347 0.079 1.00 0.00 O ATOM 183 CB SER A 13 -13.903 -6.197 1.145 1.00 0.00 C ATOM 184 OG SER A 13 -14.232 -7.234 2.039 1.00 0.00 O ATOM 0 H SER A 13 -12.996 -5.582 -0.967 1.00 0.00 H new ATOM 0 HA SER A 13 -14.989 -7.340 -0.344 1.00 0.00 H new ATOM 0 HB2 SER A 13 -12.844 -6.248 0.893 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.071 -5.231 1.622 1.00 0.00 H new ATOM 0 HG SER A 13 -14.245 -6.885 2.955 1.00 0.00 H new ATOM 190 N CYS A 14 -16.174 -4.315 0.187 1.00 0.00 N ATOM 191 CA CYS A 14 -17.416 -3.567 0.373 1.00 0.00 C ATOM 192 C CYS A 14 -17.282 -2.233 -0.357 1.00 0.00 C ATOM 193 O CYS A 14 -16.194 -1.911 -0.852 1.00 0.00 O ATOM 194 CB CYS A 14 -17.698 -3.366 1.877 1.00 0.00 C ATOM 195 SG CYS A 14 -17.107 -4.701 2.973 1.00 0.00 S ATOM 0 H CYS A 14 -15.344 -3.722 0.185 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.261 -4.118 -0.040 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -17.238 -2.430 2.193 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -18.773 -3.255 2.016 1.00 0.00 H new ATOM 200 N PHE A 15 -18.346 -1.428 -0.381 1.00 0.00 N ATOM 201 CA PHE A 15 -18.284 -0.157 -1.076 1.00 0.00 C ATOM 202 C PHE A 15 -17.762 0.876 -0.086 1.00 0.00 C ATOM 203 O PHE A 15 -18.463 1.309 0.829 1.00 0.00 O ATOM 204 CB PHE A 15 -19.680 0.220 -1.597 1.00 0.00 C ATOM 205 CG PHE A 15 -19.690 1.286 -2.679 1.00 0.00 C ATOM 206 CD1 PHE A 15 -19.142 2.565 -2.446 1.00 0.00 C ATOM 207 CD2 PHE A 15 -20.261 0.996 -3.934 1.00 0.00 C ATOM 208 CE1 PHE A 15 -19.128 3.526 -3.469 1.00 0.00 C ATOM 209 CE2 PHE A 15 -20.276 1.972 -4.945 1.00 0.00 C ATOM 210 CZ PHE A 15 -19.703 3.232 -4.713 1.00 0.00 C ATOM 0 H PHE A 15 -19.240 -1.634 0.065 1.00 0.00 H new ATOM 0 HA PHE A 15 -17.620 -0.208 -1.939 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -20.162 -0.677 -1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -20.284 0.568 -0.759 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -18.732 2.806 -1.476 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -20.688 0.022 -4.119 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -18.675 4.491 -3.298 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -20.729 1.752 -5.901 1.00 0.00 H new ATOM 0 HZ PHE A 15 -19.705 3.977 -5.495 1.00 0.00 H new ATOM 220 N ALA A 16 -16.504 1.259 -0.272 1.00 0.00 N ATOM 221 CA ALA A 16 -15.812 2.254 0.517 1.00 0.00 C ATOM 222 C ALA A 16 -14.814 2.892 -0.438 1.00 0.00 C ATOM 223 O ALA A 16 -14.135 2.153 -1.148 1.00 0.00 O ATOM 224 CB ALA A 16 -15.158 1.609 1.735 1.00 0.00 C ATOM 0 H ALA A 16 -15.920 0.864 -1.009 1.00 0.00 H new ATOM 0 HA ALA A 16 -16.477 3.013 0.928 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.642 2.372 2.318 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.923 1.137 2.352 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.441 0.856 1.407 1.00 0.00 H new ATOM 230 N PHE A 17 -14.648 4.211 -0.414 1.00 0.00 N ATOM 231 CA PHE A 17 -13.739 4.917 -1.310 1.00 0.00 C ATOM 232 C PHE A 17 -12.822 5.840 -0.512 1.00 0.00 C ATOM 233 O PHE A 17 -13.248 6.907 -0.055 1.00 0.00 O ATOM 234 CB PHE A 17 -14.598 5.646 -2.353 1.00 0.00 C ATOM 235 CG PHE A 17 -13.883 6.318 -3.510 1.00 0.00 C ATOM 236 CD1 PHE A 17 -12.585 5.939 -3.914 1.00 0.00 C ATOM 237 CD2 PHE A 17 -14.552 7.339 -4.212 1.00 0.00 C ATOM 238 CE1 PHE A 17 -11.958 6.607 -4.978 1.00 0.00 C ATOM 239 CE2 PHE A 17 -13.920 8.005 -5.275 1.00 0.00 C ATOM 240 CZ PHE A 17 -12.616 7.650 -5.647 1.00 0.00 C ATOM 0 H PHE A 17 -15.144 4.824 0.233 1.00 0.00 H new ATOM 0 HA PHE A 17 -13.071 4.234 -1.835 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -15.304 4.927 -2.768 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -15.183 6.405 -1.834 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.074 5.135 -3.405 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -15.558 7.612 -3.931 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -10.964 6.316 -5.283 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.438 8.790 -5.805 1.00 0.00 H new ATOM 0 HZ PHE A 17 -12.119 8.178 -6.447 1.00 0.00 H new ATOM 250 N VAL A 18 -11.579 5.404 -0.298 1.00 0.00 N ATOM 251 CA VAL A 18 -10.549 6.118 0.450 1.00 0.00 C ATOM 252 C VAL A 18 -9.191 6.023 -0.285 1.00 0.00 C ATOM 253 O VAL A 18 -8.622 4.932 -0.352 1.00 0.00 O ATOM 254 CB VAL A 18 -10.519 5.582 1.905 1.00 0.00 C ATOM 255 CG1 VAL A 18 -11.723 6.105 2.707 1.00 0.00 C ATOM 256 CG2 VAL A 18 -10.552 4.046 2.034 1.00 0.00 C ATOM 0 H VAL A 18 -11.252 4.507 -0.657 1.00 0.00 H new ATOM 0 HA VAL A 18 -10.776 7.182 0.509 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.565 5.942 2.291 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.680 5.715 3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.696 7.194 2.734 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.647 5.776 2.232 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.528 3.769 3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.465 3.662 1.579 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.687 3.620 1.527 1.00 0.00 H new ATOM 266 N PRO A 19 -8.630 7.105 -0.859 1.00 0.00 N ATOM 267 CA PRO A 19 -7.349 7.042 -1.563 1.00 0.00 C ATOM 268 C PRO A 19 -6.223 6.721 -0.584 1.00 0.00 C ATOM 269 O PRO A 19 -5.952 7.498 0.338 1.00 0.00 O ATOM 270 CB PRO A 19 -7.146 8.401 -2.232 1.00 0.00 C ATOM 271 CG PRO A 19 -8.020 9.347 -1.414 1.00 0.00 C ATOM 272 CD PRO A 19 -9.149 8.463 -0.881 1.00 0.00 C ATOM 0 HA PRO A 19 -7.344 6.251 -2.313 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.099 8.705 -2.210 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.450 8.381 -3.279 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -7.456 9.804 -0.601 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -8.408 10.159 -2.028 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -9.452 8.779 0.117 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.030 8.532 -1.519 1.00 0.00 H new ATOM 280 N SER A 20 -5.571 5.577 -0.759 1.00 0.00 N ATOM 281 CA SER A 20 -4.472 5.106 0.084 1.00 0.00 C ATOM 282 C SER A 20 -3.207 4.836 -0.758 1.00 0.00 C ATOM 283 O SER A 20 -3.169 5.186 -1.937 1.00 0.00 O ATOM 284 CB SER A 20 -4.952 3.966 0.975 1.00 0.00 C ATOM 285 OG SER A 20 -6.142 4.317 1.669 1.00 0.00 O ATOM 0 H SER A 20 -5.798 4.930 -1.514 1.00 0.00 H new ATOM 0 HA SER A 20 -4.153 5.883 0.779 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.131 3.078 0.368 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.172 3.710 1.692 1.00 0.00 H new ATOM 0 HG SER A 20 -6.154 5.284 1.830 1.00 0.00 H new ATOM 291 N TYR A 21 -2.132 4.293 -0.175 1.00 0.00 N ATOM 292 CA TYR A 21 -0.865 4.035 -0.878 1.00 0.00 C ATOM 293 C TYR A 21 -0.559 2.549 -1.032 1.00 0.00 C ATOM 294 O TYR A 21 -0.759 1.793 -0.083 1.00 0.00 O ATOM 295 CB TYR A 21 0.268 4.732 -0.128 1.00 0.00 C ATOM 296 CG TYR A 21 0.538 6.154 -0.564 1.00 0.00 C ATOM 297 CD1 TYR A 21 -0.179 7.198 0.042 1.00 0.00 C ATOM 298 CD2 TYR A 21 1.504 6.441 -1.553 1.00 0.00 C ATOM 299 CE1 TYR A 21 0.081 8.530 -0.306 1.00 0.00 C ATOM 300 CE2 TYR A 21 1.719 7.770 -1.952 1.00 0.00 C ATOM 301 CZ TYR A 21 1.031 8.822 -1.307 1.00 0.00 C ATOM 302 OH TYR A 21 1.316 10.111 -1.629 1.00 0.00 O ATOM 0 H TYR A 21 -2.115 4.017 0.807 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.960 4.434 -1.888 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.034 4.732 0.937 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.180 4.149 -0.254 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.935 6.973 0.780 1.00 0.00 H new ATOM 0 HD2 TYR A 21 2.075 5.641 -2.001 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.445 9.332 0.191 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.411 7.988 -2.752 1.00 0.00 H new ATOM 0 HH TYR A 21 1.993 10.129 -2.337 1.00 0.00 H new ATOM 312 N TYR A 22 -0.089 2.182 -2.232 1.00 0.00 N ATOM 313 CA TYR A 22 0.293 0.865 -2.727 1.00 0.00 C ATOM 314 C TYR A 22 1.812 0.786 -2.795 1.00 0.00 C ATOM 315 O TYR A 22 2.465 1.796 -3.080 1.00 0.00 O ATOM 316 CB TYR A 22 -0.216 0.726 -4.172 1.00 0.00 C ATOM 317 CG TYR A 22 -0.267 -0.688 -4.698 1.00 0.00 C ATOM 318 CD1 TYR A 22 0.885 -1.297 -5.229 1.00 0.00 C ATOM 319 CD2 TYR A 22 -1.493 -1.372 -4.718 1.00 0.00 C ATOM 320 CE1 TYR A 22 0.824 -2.593 -5.765 1.00 0.00 C ATOM 321 CE2 TYR A 22 -1.557 -2.666 -5.264 1.00 0.00 C ATOM 322 CZ TYR A 22 -0.407 -3.283 -5.797 1.00 0.00 C ATOM 323 OH TYR A 22 -0.513 -4.498 -6.394 1.00 0.00 O ATOM 0 H TYR A 22 0.045 2.887 -2.957 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.117 0.094 -2.074 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.216 1.156 -4.232 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.425 1.318 -4.825 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.824 -0.763 -5.224 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.381 -0.907 -4.316 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.717 -3.061 -6.152 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.499 -3.194 -5.275 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.435 -4.821 -6.317 1.00 0.00 H new ATOM 333 N TYR A 23 2.396 -0.386 -2.565 1.00 0.00 N ATOM 334 CA TYR A 23 3.856 -0.555 -2.613 1.00 0.00 C ATOM 335 C TYR A 23 4.227 -1.457 -3.785 1.00 0.00 C ATOM 336 O TYR A 23 3.567 -2.476 -3.989 1.00 0.00 O ATOM 337 CB TYR A 23 4.378 -1.076 -1.270 1.00 0.00 C ATOM 338 CG TYR A 23 5.813 -1.542 -1.306 1.00 0.00 C ATOM 339 CD1 TYR A 23 6.096 -2.878 -1.625 1.00 0.00 C ATOM 340 CD2 TYR A 23 6.862 -0.645 -1.033 1.00 0.00 C ATOM 341 CE1 TYR A 23 7.427 -3.310 -1.667 1.00 0.00 C ATOM 342 CE2 TYR A 23 8.197 -1.067 -1.126 1.00 0.00 C ATOM 343 CZ TYR A 23 8.483 -2.399 -1.477 1.00 0.00 C ATOM 344 OH TYR A 23 9.761 -2.816 -1.653 1.00 0.00 O ATOM 0 H TYR A 23 1.884 -1.239 -2.342 1.00 0.00 H new ATOM 0 HA TYR A 23 4.338 0.408 -2.779 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.282 -0.287 -0.524 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.747 -1.902 -0.943 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.293 -3.569 -1.837 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.639 0.373 -0.751 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.646 -4.352 -1.847 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.001 -0.373 -0.929 1.00 0.00 H new ATOM 0 HH TYR A 23 10.374 -2.070 -1.486 1.00 0.00 H new ATOM 354 N ASN A 24 5.267 -1.086 -4.545 1.00 0.00 N ATOM 355 CA ASN A 24 5.741 -1.832 -5.707 1.00 0.00 C ATOM 356 C ASN A 24 7.237 -2.148 -5.588 1.00 0.00 C ATOM 357 O ASN A 24 8.068 -1.383 -6.087 1.00 0.00 O ATOM 358 CB ASN A 24 5.470 -1.062 -7.018 1.00 0.00 C ATOM 359 CG ASN A 24 3.996 -0.883 -7.361 1.00 0.00 C ATOM 360 OD1 ASN A 24 3.315 -1.801 -7.801 1.00 0.00 O ATOM 361 ND2 ASN A 24 3.469 0.319 -7.196 1.00 0.00 N ATOM 0 H ASN A 24 5.809 -0.242 -4.361 1.00 0.00 H new ATOM 0 HA ASN A 24 5.186 -2.770 -5.736 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.934 -0.078 -6.948 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.958 -1.587 -7.839 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.491 0.485 -7.436 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.040 1.080 -6.829 1.00 0.00 H new ATOM 368 N GLN A 25 7.602 -3.289 -4.984 1.00 0.00 N ATOM 369 CA GLN A 25 9.000 -3.725 -4.832 1.00 0.00 C ATOM 370 C GLN A 25 9.730 -3.749 -6.168 1.00 0.00 C ATOM 371 O GLN A 25 10.909 -3.412 -6.212 1.00 0.00 O ATOM 372 CB GLN A 25 9.150 -5.140 -4.233 1.00 0.00 C ATOM 373 CG GLN A 25 8.180 -6.215 -4.759 1.00 0.00 C ATOM 374 CD GLN A 25 6.844 -6.141 -4.041 1.00 0.00 C ATOM 375 OE1 GLN A 25 6.770 -6.378 -2.845 1.00 0.00 O ATOM 376 NE2 GLN A 25 5.781 -5.738 -4.709 1.00 0.00 N ATOM 0 H GLN A 25 6.929 -3.942 -4.583 1.00 0.00 H new ATOM 0 HA GLN A 25 9.430 -2.992 -4.149 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.169 -5.481 -4.415 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.026 -5.068 -3.152 1.00 0.00 H new ATOM 0 HG2 GLN A 25 8.029 -6.081 -5.830 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.617 -7.204 -4.620 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.850 -5.542 -5.708 1.00 0.00 H new ATOM 0 HE22 GLN A 25 4.889 -5.622 -4.227 1.00 0.00 H new ATOM 385 N TYR A 26 9.024 -4.112 -7.241 1.00 0.00 N ATOM 386 CA TYR A 26 9.554 -4.201 -8.589 1.00 0.00 C ATOM 387 C TYR A 26 10.224 -2.902 -9.027 1.00 0.00 C ATOM 388 O TYR A 26 11.205 -2.948 -9.767 1.00 0.00 O ATOM 389 CB TYR A 26 8.408 -4.553 -9.539 1.00 0.00 C ATOM 390 CG TYR A 26 7.596 -5.777 -9.144 1.00 0.00 C ATOM 391 CD1 TYR A 26 8.226 -7.022 -8.963 1.00 0.00 C ATOM 392 CD2 TYR A 26 6.211 -5.663 -8.919 1.00 0.00 C ATOM 393 CE1 TYR A 26 7.482 -8.154 -8.579 1.00 0.00 C ATOM 394 CE2 TYR A 26 5.463 -6.789 -8.533 1.00 0.00 C ATOM 395 CZ TYR A 26 6.092 -8.039 -8.356 1.00 0.00 C ATOM 396 OH TYR A 26 5.354 -9.099 -7.926 1.00 0.00 O ATOM 0 H TYR A 26 8.036 -4.359 -7.186 1.00 0.00 H new ATOM 0 HA TYR A 26 10.320 -4.976 -8.613 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.737 -3.697 -9.607 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.819 -4.715 -10.535 1.00 0.00 H new ATOM 0 HD1 TYR A 26 9.291 -7.110 -9.120 1.00 0.00 H new ATOM 0 HD2 TYR A 26 5.722 -4.708 -9.043 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.973 -9.108 -8.455 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.399 -6.696 -8.371 1.00 0.00 H new ATOM 0 HH TYR A 26 4.417 -8.827 -7.828 1.00 0.00 H new ATOM 406 N SER A 27 9.721 -1.765 -8.542 1.00 0.00 N ATOM 407 CA SER A 27 10.234 -0.445 -8.843 1.00 0.00 C ATOM 408 C SER A 27 10.852 0.212 -7.606 1.00 0.00 C ATOM 409 O SER A 27 11.228 1.381 -7.671 1.00 0.00 O ATOM 410 CB SER A 27 9.107 0.381 -9.474 1.00 0.00 C ATOM 411 OG SER A 27 9.636 1.420 -10.267 1.00 0.00 O ATOM 0 H SER A 27 8.921 -1.747 -7.910 1.00 0.00 H new ATOM 0 HA SER A 27 11.050 -0.512 -9.562 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.475 -0.264 -10.085 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.474 0.800 -8.692 1.00 0.00 H new ATOM 0 HG SER A 27 10.389 1.837 -9.799 1.00 0.00 H new ATOM 417 N ASN A 28 10.978 -0.512 -6.483 1.00 0.00 N ATOM 418 CA ASN A 28 11.551 -0.028 -5.234 1.00 0.00 C ATOM 419 C ASN A 28 10.918 1.312 -4.846 1.00 0.00 C ATOM 420 O ASN A 28 11.604 2.256 -4.467 1.00 0.00 O ATOM 421 CB ASN A 28 13.087 0.010 -5.410 1.00 0.00 C ATOM 422 CG ASN A 28 13.911 0.632 -4.287 1.00 0.00 C ATOM 423 OD1 ASN A 28 14.791 1.450 -4.545 1.00 0.00 O ATOM 424 ND2 ASN A 28 13.764 0.210 -3.044 1.00 0.00 N ATOM 0 H ASN A 28 10.671 -1.483 -6.426 1.00 0.00 H new ATOM 0 HA ASN A 28 11.333 -0.690 -4.396 1.00 0.00 H new ATOM 0 HB2 ASN A 28 13.434 -1.013 -5.554 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.307 0.554 -6.329 1.00 0.00 H new ATOM 0 HD21 ASN A 28 14.378 0.563 -2.310 1.00 0.00 H new ATOM 0 HD22 ASN A 28 13.037 -0.469 -2.819 1.00 0.00 H new ATOM 431 N THR A 29 9.601 1.441 -5.012 1.00 0.00 N ATOM 432 CA THR A 29 8.886 2.659 -4.672 1.00 0.00 C ATOM 433 C THR A 29 7.452 2.297 -4.285 1.00 0.00 C ATOM 434 O THR A 29 7.092 1.126 -4.112 1.00 0.00 O ATOM 435 CB THR A 29 9.029 3.731 -5.783 1.00 0.00 C ATOM 436 OG1 THR A 29 8.643 4.993 -5.266 1.00 0.00 O ATOM 437 CG2 THR A 29 8.218 3.443 -7.047 1.00 0.00 C ATOM 0 H THR A 29 9.006 0.702 -5.386 1.00 0.00 H new ATOM 0 HA THR A 29 9.328 3.139 -3.799 1.00 0.00 H new ATOM 0 HB THR A 29 10.077 3.719 -6.081 1.00 0.00 H new ATOM 0 HG1 THR A 29 8.733 5.674 -5.965 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.376 4.242 -7.771 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.540 2.495 -7.477 1.00 0.00 H new ATOM 0 HG23 THR A 29 7.159 3.386 -6.795 1.00 0.00 H new ATOM 445 N CYS A 30 6.640 3.325 -4.103 1.00 0.00 N ATOM 446 CA CYS A 30 5.256 3.296 -3.729 1.00 0.00 C ATOM 447 C CYS A 30 4.492 4.203 -4.670 1.00 0.00 C ATOM 448 O CYS A 30 5.095 5.023 -5.362 1.00 0.00 O ATOM 449 CB CYS A 30 5.170 3.896 -2.341 1.00 0.00 C ATOM 450 SG CYS A 30 5.960 2.964 -1.012 1.00 0.00 S ATOM 0 H CYS A 30 6.973 4.281 -4.227 1.00 0.00 H new ATOM 0 HA CYS A 30 4.854 2.284 -3.763 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.614 4.891 -2.371 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.117 4.024 -2.089 1.00 0.00 H new ATOM 455 N HIS A 31 3.167 4.089 -4.663 1.00 0.00 N ATOM 456 CA HIS A 31 2.325 4.904 -5.506 1.00 0.00 C ATOM 457 C HIS A 31 0.917 4.947 -4.925 1.00 0.00 C ATOM 458 O HIS A 31 0.432 3.935 -4.414 1.00 0.00 O ATOM 459 CB HIS A 31 2.336 4.308 -6.924 1.00 0.00 C ATOM 460 CG HIS A 31 2.022 5.333 -7.980 1.00 0.00 C ATOM 461 ND1 HIS A 31 1.211 5.175 -9.081 1.00 0.00 N ATOM 462 CD2 HIS A 31 2.544 6.595 -8.028 1.00 0.00 C ATOM 463 CE1 HIS A 31 1.216 6.332 -9.762 1.00 0.00 C ATOM 464 NE2 HIS A 31 2.014 7.231 -9.155 1.00 0.00 N ATOM 0 H HIS A 31 2.658 3.431 -4.073 1.00 0.00 H new ATOM 0 HA HIS A 31 2.695 5.928 -5.554 1.00 0.00 H new ATOM 0 HB2 HIS A 31 3.315 3.872 -7.124 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.609 3.498 -6.980 1.00 0.00 H new ATOM 0 HD2 HIS A 31 3.240 7.024 -7.323 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.659 6.516 -10.669 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.196 8.188 -9.458 1.00 0.00 H new ATOM 472 N SER A 32 0.253 6.100 -4.971 1.00 0.00 N ATOM 473 CA SER A 32 -1.103 6.207 -4.455 1.00 0.00 C ATOM 474 C SER A 32 -2.050 5.356 -5.319 1.00 0.00 C ATOM 475 O SER A 32 -1.887 5.303 -6.543 1.00 0.00 O ATOM 476 CB SER A 32 -1.525 7.678 -4.413 1.00 0.00 C ATOM 477 OG SER A 32 -1.503 8.274 -5.702 1.00 0.00 O ATOM 0 H SER A 32 0.631 6.965 -5.358 1.00 0.00 H new ATOM 0 HA SER A 32 -1.150 5.824 -3.436 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.529 7.756 -3.995 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.859 8.228 -3.748 1.00 0.00 H new ATOM 0 HG SER A 32 -1.780 9.212 -5.634 1.00 0.00 H new ATOM 483 N PHE A 33 -3.020 4.685 -4.701 1.00 0.00 N ATOM 484 CA PHE A 33 -4.032 3.841 -5.342 1.00 0.00 C ATOM 485 C PHE A 33 -5.385 4.067 -4.647 1.00 0.00 C ATOM 486 O PHE A 33 -5.483 4.916 -3.750 1.00 0.00 O ATOM 487 CB PHE A 33 -3.597 2.366 -5.378 1.00 0.00 C ATOM 488 CG PHE A 33 -3.888 1.562 -4.121 1.00 0.00 C ATOM 489 CD1 PHE A 33 -3.184 1.826 -2.936 1.00 0.00 C ATOM 490 CD2 PHE A 33 -4.887 0.571 -4.112 1.00 0.00 C ATOM 491 CE1 PHE A 33 -3.455 1.102 -1.763 1.00 0.00 C ATOM 492 CE2 PHE A 33 -5.198 -0.112 -2.922 1.00 0.00 C ATOM 493 CZ PHE A 33 -4.473 0.147 -1.746 1.00 0.00 C ATOM 0 H PHE A 33 -3.129 4.716 -3.687 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.145 4.126 -6.388 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.091 1.881 -6.220 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.525 2.327 -5.572 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.425 2.595 -2.926 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.417 0.334 -5.022 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.874 1.285 -0.871 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.997 -0.838 -2.912 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.702 -0.389 -0.836 1.00 0.00 H new ATOM 503 N THR A 34 -6.444 3.367 -5.053 1.00 0.00 N ATOM 504 CA THR A 34 -7.780 3.489 -4.454 1.00 0.00 C ATOM 505 C THR A 34 -8.042 2.325 -3.491 1.00 0.00 C ATOM 506 O THR A 34 -7.917 1.163 -3.885 1.00 0.00 O ATOM 507 CB THR A 34 -8.849 3.581 -5.553 1.00 0.00 C ATOM 508 OG1 THR A 34 -8.732 2.519 -6.481 1.00 0.00 O ATOM 509 CG2 THR A 34 -8.718 4.907 -6.302 1.00 0.00 C ATOM 0 H THR A 34 -6.402 2.691 -5.815 1.00 0.00 H new ATOM 0 HA THR A 34 -7.830 4.409 -3.872 1.00 0.00 H new ATOM 0 HB THR A 34 -9.823 3.517 -5.068 1.00 0.00 H new ATOM 0 HG1 THR A 34 -8.465 1.702 -6.011 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.480 4.963 -7.079 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.850 5.734 -5.604 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.730 4.971 -6.758 1.00 0.00 H new ATOM 517 N TYR A 35 -8.376 2.626 -2.230 1.00 0.00 N ATOM 518 CA TYR A 35 -8.650 1.626 -1.204 1.00 0.00 C ATOM 519 C TYR A 35 -10.097 1.752 -0.745 1.00 0.00 C ATOM 520 O TYR A 35 -10.800 2.717 -1.062 1.00 0.00 O ATOM 521 CB TYR A 35 -7.660 1.735 -0.032 1.00 0.00 C ATOM 522 CG TYR A 35 -7.763 0.707 1.077 1.00 0.00 C ATOM 523 CD1 TYR A 35 -7.307 -0.603 0.842 1.00 0.00 C ATOM 524 CD2 TYR A 35 -8.163 1.085 2.377 1.00 0.00 C ATOM 525 CE1 TYR A 35 -7.274 -1.530 1.891 1.00 0.00 C ATOM 526 CE2 TYR A 35 -8.127 0.154 3.432 1.00 0.00 C ATOM 527 CZ TYR A 35 -7.692 -1.167 3.187 1.00 0.00 C ATOM 528 OH TYR A 35 -7.610 -2.084 4.189 1.00 0.00 O ATOM 0 H TYR A 35 -8.463 3.585 -1.894 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.510 0.633 -1.630 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.651 1.687 -0.441 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.777 2.722 0.415 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.983 -0.893 -0.146 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.499 2.095 2.563 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.924 -2.535 1.705 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.431 0.449 4.425 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.934 -1.686 5.024 1.00 0.00 H new ATOM 538 N SER A 36 -10.514 0.769 0.038 1.00 0.00 N ATOM 539 CA SER A 36 -11.819 0.609 0.622 1.00 0.00 C ATOM 540 C SER A 36 -11.521 0.165 2.052 1.00 0.00 C ATOM 541 O SER A 36 -10.862 -0.854 2.240 1.00 0.00 O ATOM 542 CB SER A 36 -12.568 -0.423 -0.233 1.00 0.00 C ATOM 543 OG SER A 36 -12.614 0.035 -1.578 1.00 0.00 O ATOM 0 H SER A 36 -9.890 0.005 0.297 1.00 0.00 H new ATOM 0 HA SER A 36 -12.456 1.493 0.649 1.00 0.00 H new ATOM 0 HB2 SER A 36 -12.067 -1.389 -0.181 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.578 -0.567 0.150 1.00 0.00 H new ATOM 0 HG SER A 36 -13.303 0.727 -1.665 1.00 0.00 H new ATOM 549 N GLY A 37 -11.941 0.947 3.054 1.00 0.00 N ATOM 550 CA GLY A 37 -11.701 0.656 4.466 1.00 0.00 C ATOM 551 C GLY A 37 -12.118 -0.752 4.886 1.00 0.00 C ATOM 552 O GLY A 37 -11.472 -1.345 5.758 1.00 0.00 O ATOM 0 H GLY A 37 -12.463 1.810 2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.640 0.789 4.679 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -12.242 1.381 5.074 1.00 0.00 H new ATOM 556 N CYS A 38 -13.210 -1.245 4.305 1.00 0.00 N ATOM 557 CA CYS A 38 -13.779 -2.557 4.543 1.00 0.00 C ATOM 558 C CYS A 38 -12.907 -3.596 3.833 1.00 0.00 C ATOM 559 O CYS A 38 -12.613 -3.431 2.648 1.00 0.00 O ATOM 560 CB CYS A 38 -15.187 -2.557 3.945 1.00 0.00 C ATOM 561 SG CYS A 38 -16.342 -3.774 4.612 1.00 0.00 S ATOM 0 H CYS A 38 -13.744 -0.708 3.622 1.00 0.00 H new ATOM 0 HA CYS A 38 -13.822 -2.793 5.606 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -15.617 -1.565 4.084 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -15.102 -2.720 2.871 1.00 0.00 H new ATOM 566 N GLY A 39 -12.554 -4.686 4.513 1.00 0.00 N ATOM 567 CA GLY A 39 -11.722 -5.730 3.939 1.00 0.00 C ATOM 568 C GLY A 39 -10.305 -5.210 3.762 1.00 0.00 C ATOM 569 O GLY A 39 -9.695 -4.738 4.723 1.00 0.00 O ATOM 0 H GLY A 39 -12.839 -4.865 5.476 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.721 -6.606 4.587 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.128 -6.045 2.978 1.00 0.00 H new ATOM 573 N GLY A 40 -9.767 -5.308 2.547 1.00 0.00 N ATOM 574 CA GLY A 40 -8.418 -4.860 2.246 1.00 0.00 C ATOM 575 C GLY A 40 -7.362 -5.772 2.875 1.00 0.00 C ATOM 576 O GLY A 40 -7.691 -6.757 3.541 1.00 0.00 O ATOM 0 H GLY A 40 -10.260 -5.702 1.745 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.277 -4.832 1.166 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -8.283 -3.842 2.611 1.00 0.00 H new ATOM 580 N ASN A 41 -6.083 -5.530 2.587 1.00 0.00 N ATOM 581 CA ASN A 41 -4.950 -6.293 3.138 1.00 0.00 C ATOM 582 C ASN A 41 -3.928 -5.299 3.697 1.00 0.00 C ATOM 583 O ASN A 41 -3.982 -4.100 3.407 1.00 0.00 O ATOM 584 CB ASN A 41 -4.279 -7.230 2.105 1.00 0.00 C ATOM 585 CG ASN A 41 -4.950 -8.592 1.884 1.00 0.00 C ATOM 586 OD1 ASN A 41 -4.306 -9.540 1.445 1.00 0.00 O ATOM 587 ND2 ASN A 41 -6.221 -8.774 2.202 1.00 0.00 N ATOM 0 H ASN A 41 -5.794 -4.785 1.953 1.00 0.00 H new ATOM 0 HA ASN A 41 -5.335 -6.944 3.923 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -4.238 -6.710 1.148 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.249 -7.403 2.418 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.651 -9.691 2.081 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.771 -7.997 2.568 1.00 0.00 H new ATOM 594 N ALA A 42 -2.916 -5.795 4.407 1.00 0.00 N ATOM 595 CA ALA A 42 -1.884 -4.967 5.009 1.00 0.00 C ATOM 596 C ALA A 42 -1.068 -4.129 4.019 1.00 0.00 C ATOM 597 O ALA A 42 -0.360 -3.240 4.488 1.00 0.00 O ATOM 598 CB ALA A 42 -0.949 -5.840 5.843 1.00 0.00 C ATOM 0 H ALA A 42 -2.792 -6.793 4.579 1.00 0.00 H new ATOM 0 HA ALA A 42 -2.412 -4.246 5.633 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.176 -5.218 6.294 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -1.519 -6.336 6.628 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.484 -6.590 5.203 1.00 0.00 H new ATOM 604 N ASN A 43 -1.125 -4.365 2.695 1.00 0.00 N ATOM 605 CA ASN A 43 -0.339 -3.542 1.768 1.00 0.00 C ATOM 606 C ASN A 43 -0.883 -2.114 1.606 1.00 0.00 C ATOM 607 O ASN A 43 -0.390 -1.380 0.752 1.00 0.00 O ATOM 608 CB ASN A 43 -0.141 -4.202 0.400 1.00 0.00 C ATOM 609 CG ASN A 43 -1.245 -3.830 -0.577 1.00 0.00 C ATOM 610 OD1 ASN A 43 -2.419 -4.059 -0.296 1.00 0.00 O ATOM 611 ND2 ASN A 43 -0.891 -3.223 -1.698 1.00 0.00 N ATOM 0 H ASN A 43 -1.688 -5.094 2.257 1.00 0.00 H new ATOM 0 HA ASN A 43 0.640 -3.462 2.241 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.823 -3.902 -0.011 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.113 -5.285 0.521 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -1.604 -2.927 -2.365 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.095 -3.051 -1.895 1.00 0.00 H new ATOM 618 N ARG A 44 -1.944 -1.727 2.319 1.00 0.00 N ATOM 619 CA ARG A 44 -2.473 -0.379 2.241 1.00 0.00 C ATOM 620 C ARG A 44 -1.750 0.441 3.302 1.00 0.00 C ATOM 621 O ARG A 44 -1.664 0.002 4.451 1.00 0.00 O ATOM 622 CB ARG A 44 -3.987 -0.398 2.493 1.00 0.00 C ATOM 623 CG ARG A 44 -4.551 1.022 2.603 1.00 0.00 C ATOM 624 CD ARG A 44 -4.722 1.520 4.042 1.00 0.00 C ATOM 625 NE ARG A 44 -5.138 2.927 4.048 1.00 0.00 N ATOM 626 CZ ARG A 44 -4.859 3.847 4.975 1.00 0.00 C ATOM 627 NH1 ARG A 44 -4.310 3.509 6.139 1.00 0.00 N ATOM 628 NH2 ARG A 44 -5.143 5.113 4.702 1.00 0.00 N ATOM 0 H ARG A 44 -2.451 -2.339 2.959 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.314 0.057 1.254 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.486 -0.928 1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -4.198 -0.948 3.410 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.890 1.706 2.070 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.518 1.057 2.101 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.465 0.912 4.559 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.784 1.409 4.586 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.703 3.237 3.257 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.094 2.532 6.337 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.105 4.227 6.834 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.562 5.360 3.805 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.942 5.840 5.389 1.00 0.00 H new ATOM 642 N PHE A 45 -1.324 1.654 2.957 1.00 0.00 N ATOM 643 CA PHE A 45 -0.641 2.580 3.863 1.00 0.00 C ATOM 644 C PHE A 45 -1.309 3.948 3.748 1.00 0.00 C ATOM 645 O PHE A 45 -2.243 4.116 2.960 1.00 0.00 O ATOM 646 CB PHE A 45 0.864 2.630 3.584 1.00 0.00 C ATOM 647 CG PHE A 45 1.414 1.315 3.093 1.00 0.00 C ATOM 648 CD1 PHE A 45 1.412 0.150 3.882 1.00 0.00 C ATOM 649 CD2 PHE A 45 1.743 1.232 1.743 1.00 0.00 C ATOM 650 CE1 PHE A 45 1.810 -1.073 3.310 1.00 0.00 C ATOM 651 CE2 PHE A 45 2.155 0.026 1.180 1.00 0.00 C ATOM 652 CZ PHE A 45 2.217 -1.127 1.967 1.00 0.00 C ATOM 0 H PHE A 45 -1.446 2.031 2.017 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.734 2.232 4.892 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.065 3.402 2.841 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.388 2.920 4.495 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.108 0.194 4.917 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.678 2.114 1.124 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.802 -1.973 3.906 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.426 -0.018 0.136 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.576 -2.054 1.545 1.00 0.00 H new ATOM 662 N ARG A 46 -0.843 4.936 4.514 1.00 0.00 N ATOM 663 CA ARG A 46 -1.415 6.286 4.525 1.00 0.00 C ATOM 664 C ARG A 46 -0.538 7.315 3.839 1.00 0.00 C ATOM 665 O ARG A 46 -1.028 8.399 3.535 1.00 0.00 O ATOM 666 CB ARG A 46 -1.813 6.710 5.955 1.00 0.00 C ATOM 667 CG ARG A 46 -0.905 6.249 7.112 1.00 0.00 C ATOM 668 CD ARG A 46 0.583 6.589 6.971 1.00 0.00 C ATOM 669 NE ARG A 46 0.808 8.046 6.952 1.00 0.00 N ATOM 670 CZ ARG A 46 1.304 8.773 7.961 1.00 0.00 C ATOM 671 NH1 ARG A 46 1.740 8.195 9.068 1.00 0.00 N ATOM 672 NH2 ARG A 46 1.377 10.091 7.849 1.00 0.00 N ATOM 0 H ARG A 46 -0.053 4.822 5.149 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.326 6.244 3.927 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.865 7.798 5.981 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.819 6.338 6.148 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.273 6.693 8.037 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.003 5.168 7.217 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.138 6.145 7.798 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.972 6.148 6.053 1.00 0.00 H new ATOM 0 HE ARG A 46 0.565 8.544 6.095 1.00 0.00 H new ATOM 0 HH11 ARG A 46 1.701 7.180 9.163 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.115 8.764 9.827 1.00 0.00 H new ATOM 0 HH21 ARG A 46 1.056 10.549 6.996 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.754 10.648 8.616 1.00 0.00 H new ATOM 686 N THR A 47 0.747 7.031 3.638 1.00 0.00 N ATOM 687 CA THR A 47 1.623 7.962 2.966 1.00 0.00 C ATOM 688 C THR A 47 2.838 7.239 2.423 1.00 0.00 C ATOM 689 O THR A 47 3.204 6.157 2.899 1.00 0.00 O ATOM 690 CB THR A 47 2.026 9.137 3.877 1.00 0.00 C ATOM 691 OG1 THR A 47 2.601 10.152 3.089 1.00 0.00 O ATOM 692 CG2 THR A 47 3.052 8.722 4.933 1.00 0.00 C ATOM 0 H THR A 47 1.195 6.164 3.933 1.00 0.00 H new ATOM 0 HA THR A 47 1.074 8.393 2.128 1.00 0.00 H new ATOM 0 HB THR A 47 1.125 9.482 4.385 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.859 10.904 3.662 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.306 9.583 5.552 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.631 7.936 5.560 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.951 8.351 4.441 1.00 0.00 H new ATOM 700 N ILE A 48 3.472 7.879 1.448 1.00 0.00 N ATOM 701 CA ILE A 48 4.667 7.387 0.817 1.00 0.00 C ATOM 702 C ILE A 48 5.834 7.435 1.806 1.00 0.00 C ATOM 703 O ILE A 48 6.722 6.593 1.761 1.00 0.00 O ATOM 704 CB ILE A 48 4.975 8.133 -0.492 1.00 0.00 C ATOM 705 CG1 ILE A 48 6.270 7.555 -1.102 1.00 0.00 C ATOM 706 CG2 ILE A 48 5.020 9.668 -0.331 1.00 0.00 C ATOM 707 CD1 ILE A 48 6.500 8.019 -2.540 1.00 0.00 C ATOM 0 H ILE A 48 3.154 8.773 1.074 1.00 0.00 H new ATOM 0 HA ILE A 48 4.507 6.347 0.534 1.00 0.00 H new ATOM 0 HB ILE A 48 4.150 7.967 -1.184 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.120 7.852 -0.488 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.224 6.466 -1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.242 10.128 -1.294 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.055 10.025 0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.795 9.936 0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.424 7.583 -2.920 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.665 7.699 -3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.575 9.106 -2.564 1.00 0.00 H new ATOM 719 N ASP A 49 5.846 8.402 2.720 1.00 0.00 N ATOM 720 CA ASP A 49 6.930 8.532 3.686 1.00 0.00 C ATOM 721 C ASP A 49 6.987 7.357 4.665 1.00 0.00 C ATOM 722 O ASP A 49 8.061 7.007 5.150 1.00 0.00 O ATOM 723 CB ASP A 49 6.794 9.849 4.436 1.00 0.00 C ATOM 724 CG ASP A 49 7.969 10.031 5.391 1.00 0.00 C ATOM 725 OD1 ASP A 49 9.115 10.188 4.913 1.00 0.00 O ATOM 726 OD2 ASP A 49 7.733 9.997 6.620 1.00 0.00 O ATOM 0 H ASP A 49 5.115 9.108 2.811 1.00 0.00 H new ATOM 0 HA ASP A 49 7.869 8.522 3.132 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.758 10.677 3.729 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.857 9.865 4.993 1.00 0.00 H new ATOM 731 N GLU A 50 5.835 6.749 4.963 1.00 0.00 N ATOM 732 CA GLU A 50 5.697 5.641 5.874 1.00 0.00 C ATOM 733 C GLU A 50 5.979 4.361 5.101 1.00 0.00 C ATOM 734 O GLU A 50 6.711 3.501 5.587 1.00 0.00 O ATOM 735 CB GLU A 50 4.260 5.661 6.419 1.00 0.00 C ATOM 736 CG GLU A 50 4.013 4.676 7.561 1.00 0.00 C ATOM 737 CD GLU A 50 4.401 5.280 8.906 1.00 0.00 C ATOM 738 OE1 GLU A 50 5.615 5.351 9.200 1.00 0.00 O ATOM 739 OE2 GLU A 50 3.487 5.661 9.674 1.00 0.00 O ATOM 0 H GLU A 50 4.946 7.037 4.553 1.00 0.00 H new ATOM 0 HA GLU A 50 6.393 5.704 6.710 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.028 6.668 6.765 1.00 0.00 H new ATOM 0 HB3 GLU A 50 3.571 5.437 5.605 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.961 4.391 7.578 1.00 0.00 H new ATOM 0 HG3 GLU A 50 4.587 3.765 7.389 1.00 0.00 H new ATOM 746 N CYS A 51 5.430 4.249 3.884 1.00 0.00 N ATOM 747 CA CYS A 51 5.616 3.062 3.076 1.00 0.00 C ATOM 748 C CYS A 51 7.071 2.883 2.640 1.00 0.00 C ATOM 749 O CYS A 51 7.596 1.769 2.651 1.00 0.00 O ATOM 750 CB CYS A 51 4.694 3.102 1.850 1.00 0.00 C ATOM 751 SG CYS A 51 5.340 4.120 0.509 1.00 0.00 S ATOM 0 H CYS A 51 4.856 4.971 3.448 1.00 0.00 H new ATOM 0 HA CYS A 51 5.355 2.204 3.695 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.541 2.086 1.485 1.00 0.00 H new ATOM 0 HB3 CYS A 51 3.718 3.484 2.150 1.00 0.00 H new ATOM 756 N ASN A 52 7.739 3.981 2.270 1.00 0.00 N ATOM 757 CA ASN A 52 9.103 3.926 1.805 1.00 0.00 C ATOM 758 C ASN A 52 10.013 3.652 2.982 1.00 0.00 C ATOM 759 O ASN A 52 10.709 2.641 2.971 1.00 0.00 O ATOM 760 CB ASN A 52 9.477 5.114 0.898 1.00 0.00 C ATOM 761 CG ASN A 52 10.170 6.266 1.591 1.00 0.00 C ATOM 762 OD1 ASN A 52 11.342 6.190 1.952 1.00 0.00 O ATOM 763 ND2 ASN A 52 9.466 7.362 1.747 1.00 0.00 N ATOM 0 H ASN A 52 7.341 4.920 2.289 1.00 0.00 H new ATOM 0 HA ASN A 52 9.239 3.088 1.122 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.124 4.750 0.100 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.569 5.489 0.426 1.00 0.00 H new ATOM 0 HD21 ASN A 52 9.890 8.183 2.179 1.00 0.00 H new ATOM 0 HD22 ASN A 52 8.495 7.393 1.436 1.00 0.00 H new ATOM 770 N ARG A 53 9.899 4.431 4.059 1.00 0.00 N ATOM 771 CA ARG A 53 10.756 4.202 5.227 1.00 0.00 C ATOM 772 C ARG A 53 10.658 2.795 5.815 1.00 0.00 C ATOM 773 O ARG A 53 11.596 2.357 6.482 1.00 0.00 O ATOM 774 CB ARG A 53 10.528 5.265 6.307 1.00 0.00 C ATOM 775 CG ARG A 53 9.340 5.019 7.254 1.00 0.00 C ATOM 776 CD ARG A 53 9.096 6.193 8.208 1.00 0.00 C ATOM 777 NE ARG A 53 10.296 6.483 9.000 1.00 0.00 N ATOM 778 CZ ARG A 53 10.424 7.369 9.987 1.00 0.00 C ATOM 779 NH1 ARG A 53 9.386 8.085 10.406 1.00 0.00 N ATOM 780 NH2 ARG A 53 11.617 7.508 10.542 1.00 0.00 N ATOM 0 H ARG A 53 9.242 5.206 4.149 1.00 0.00 H new ATOM 0 HA ARG A 53 11.775 4.293 4.852 1.00 0.00 H new ATOM 0 HB2 ARG A 53 11.435 5.346 6.907 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.383 6.228 5.817 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.441 4.841 6.664 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.524 4.115 7.835 1.00 0.00 H new ATOM 0 HD2 ARG A 53 8.810 7.077 7.638 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.264 5.960 8.873 1.00 0.00 H new ATOM 0 HE ARG A 53 11.130 5.943 8.768 1.00 0.00 H new ATOM 0 HH11 ARG A 53 8.472 7.961 9.971 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.503 8.759 11.163 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.402 6.946 10.212 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.752 8.177 11.300 1.00 0.00 H new ATOM 794 N THR A 54 9.526 2.107 5.654 1.00 0.00 N ATOM 795 CA THR A 54 9.343 0.760 6.174 1.00 0.00 C ATOM 796 C THR A 54 9.547 -0.364 5.154 1.00 0.00 C ATOM 797 O THR A 54 9.624 -1.515 5.588 1.00 0.00 O ATOM 798 CB THR A 54 7.991 0.689 6.892 1.00 0.00 C ATOM 799 OG1 THR A 54 8.001 -0.350 7.853 1.00 0.00 O ATOM 800 CG2 THR A 54 6.826 0.476 5.930 1.00 0.00 C ATOM 0 H THR A 54 8.713 2.472 5.158 1.00 0.00 H new ATOM 0 HA THR A 54 10.145 0.573 6.888 1.00 0.00 H new ATOM 0 HB THR A 54 7.845 1.652 7.381 1.00 0.00 H new ATOM 0 HG1 THR A 54 8.526 -1.105 7.513 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.893 0.433 6.492 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.785 1.302 5.220 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.967 -0.460 5.389 1.00 0.00 H new ATOM 808 N CYS A 55 9.603 -0.089 3.845 1.00 0.00 N ATOM 809 CA CYS A 55 9.759 -1.136 2.836 1.00 0.00 C ATOM 810 C CYS A 55 10.740 -0.797 1.732 1.00 0.00 C ATOM 811 O CYS A 55 11.452 -1.689 1.281 1.00 0.00 O ATOM 812 CB CYS A 55 8.402 -1.436 2.185 1.00 0.00 C ATOM 813 SG CYS A 55 7.090 -1.891 3.348 1.00 0.00 S ATOM 0 H CYS A 55 9.542 0.854 3.462 1.00 0.00 H new ATOM 0 HA CYS A 55 10.157 -1.998 3.372 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.082 -0.559 1.622 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.530 -2.246 1.467 1.00 0.00 H new ATOM 818 N VAL A 56 10.719 0.426 1.218 1.00 0.00 N ATOM 819 CA VAL A 56 11.625 0.831 0.161 1.00 0.00 C ATOM 820 C VAL A 56 13.037 0.765 0.727 1.00 0.00 C ATOM 821 O VAL A 56 13.370 1.454 1.697 1.00 0.00 O ATOM 822 CB VAL A 56 11.250 2.221 -0.376 1.00 0.00 C ATOM 823 CG1 VAL A 56 12.280 2.845 -1.312 1.00 0.00 C ATOM 824 CG2 VAL A 56 9.913 2.150 -1.135 1.00 0.00 C ATOM 0 H VAL A 56 10.077 1.158 1.522 1.00 0.00 H new ATOM 0 HA VAL A 56 11.558 0.165 -0.699 1.00 0.00 H new ATOM 0 HB VAL A 56 11.191 2.854 0.509 1.00 0.00 H new ATOM 0 HG11 VAL A 56 11.929 3.823 -1.639 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.228 2.957 -0.787 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.420 2.201 -2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 56 9.656 3.140 -1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.005 1.456 -1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.130 1.803 -0.461 1.00 0.00 H new ATOM 834 N GLY A 57 13.842 -0.117 0.145 1.00 0.00 N ATOM 835 CA GLY A 57 15.231 -0.301 0.511 1.00 0.00 C ATOM 836 C GLY A 57 15.993 0.858 -0.100 1.00 0.00 C ATOM 837 O GLY A 57 16.173 0.800 -1.334 1.00 0.00 O ATOM 0 H GLY A 57 13.536 -0.733 -0.608 1.00 0.00 H new ATOM 0 HA2 GLY A 57 15.348 -0.314 1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 57 15.608 -1.253 0.138 1.00 0.00 H new