USER MOD reduce.3.24.130724 H: found=0, std=0, add=413, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 414 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 8 SER OG : rot 150:sc= -4.26! USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -2.38! C(o=-2.4!,f=-7.1!) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.99 K(o=-0.99,f=-1.9!) USER MOD Single : A 37 HIS : no HD1:sc= -6.42! C(o=-6.4!,f=-8.3!) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.427 USER MOD Single : A 53 TYR OH : rot 141:sc= -0.736 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -22:sc= -6.37! USER MOD Single : A 65 TYR OH : rot -93:sc= 0.792 USER MOD ----------------------------------------------------------------- ATOM 67 N ASP A 6 -10.777 -5.729 -0.453 1.00 0.00 N ATOM 68 CA ASP A 6 -9.667 -5.035 -1.104 1.00 0.00 C ATOM 69 C ASP A 6 -9.626 -3.571 -0.684 1.00 0.00 C ATOM 70 O ASP A 6 -10.660 -2.909 -0.601 1.00 0.00 O ATOM 71 CB ASP A 6 -9.785 -5.130 -2.624 1.00 0.00 C ATOM 72 CG ASP A 6 -11.158 -4.729 -3.127 1.00 0.00 C ATOM 73 OD1 ASP A 6 -11.590 -3.595 -2.833 1.00 0.00 O ATOM 74 OD2 ASP A 6 -11.801 -5.550 -3.815 1.00 0.00 O ATOM 0 HA ASP A 6 -8.742 -5.519 -0.791 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -9.032 -4.490 -3.084 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.571 -6.151 -2.939 1.00 0.00 H new ATOM 79 N GLU A 7 -8.425 -3.074 -0.419 1.00 0.00 N ATOM 80 CA GLU A 7 -8.251 -1.674 0.002 1.00 0.00 C ATOM 81 C GLU A 7 -6.780 -1.268 -0.040 1.00 0.00 C ATOM 82 O GLU A 7 -5.896 -2.117 -0.156 1.00 0.00 O ATOM 83 CB GLU A 7 -8.807 -1.448 1.421 1.00 0.00 C ATOM 84 CG GLU A 7 -9.254 -2.714 2.145 1.00 0.00 C ATOM 85 CD GLU A 7 -10.759 -2.911 2.108 1.00 0.00 C ATOM 86 OE1 GLU A 7 -11.464 -2.025 1.579 1.00 0.00 O ATOM 87 OE2 GLU A 7 -11.232 -3.953 2.609 1.00 0.00 O ATOM 0 H GLU A 7 -7.558 -3.608 -0.485 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.810 -1.053 -0.699 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -8.042 -0.955 2.021 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.654 -0.764 1.359 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -8.768 -3.578 1.692 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.923 -2.670 3.183 1.00 0.00 H new ATOM 94 N SER A 8 -6.525 0.036 0.052 1.00 0.00 N ATOM 95 CA SER A 8 -5.154 0.546 0.020 1.00 0.00 C ATOM 96 C SER A 8 -4.894 1.549 1.146 1.00 0.00 C ATOM 97 O SER A 8 -5.810 2.215 1.639 1.00 0.00 O ATOM 98 CB SER A 8 -4.865 1.196 -1.335 1.00 0.00 C ATOM 99 OG SER A 8 -4.849 0.230 -2.372 1.00 0.00 O ATOM 0 H SER A 8 -7.243 0.754 0.149 1.00 0.00 H new ATOM 0 HA SER A 8 -4.484 -0.301 0.168 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.622 1.951 -1.549 1.00 0.00 H new ATOM 0 HB3 SER A 8 -3.904 1.710 -1.298 1.00 0.00 H new ATOM 0 HG SER A 8 -5.141 0.645 -3.210 1.00 0.00 H new ATOM 105 N PHE A 9 -3.629 1.644 1.543 1.00 0.00 N ATOM 106 CA PHE A 9 -3.206 2.554 2.603 1.00 0.00 C ATOM 107 C PHE A 9 -1.934 3.283 2.191 1.00 0.00 C ATOM 108 O PHE A 9 -0.971 2.662 1.731 1.00 0.00 O ATOM 109 CB PHE A 9 -2.959 1.781 3.902 1.00 0.00 C ATOM 110 CG PHE A 9 -2.401 0.409 3.669 1.00 0.00 C ATOM 111 CD1 PHE A 9 -3.241 -0.651 3.372 1.00 0.00 C ATOM 112 CD2 PHE A 9 -1.037 0.185 3.729 1.00 0.00 C ATOM 113 CE1 PHE A 9 -2.730 -1.912 3.139 1.00 0.00 C ATOM 114 CE2 PHE A 9 -0.520 -1.073 3.500 1.00 0.00 C ATOM 115 CZ PHE A 9 -1.368 -2.124 3.204 1.00 0.00 C ATOM 0 H PHE A 9 -2.870 1.094 1.141 1.00 0.00 H new ATOM 0 HA PHE A 9 -3.999 3.283 2.770 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.270 2.346 4.529 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -3.896 1.698 4.453 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.308 -0.489 3.322 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -0.370 1.003 3.957 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.395 -2.731 2.906 1.00 0.00 H new ATOM 0 HE2 PHE A 9 0.546 -1.237 3.552 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.965 -3.110 3.024 1.00 0.00 H new ATOM 125 N LEU A 10 -1.934 4.597 2.361 1.00 0.00 N ATOM 126 CA LEU A 10 -0.771 5.407 2.015 1.00 0.00 C ATOM 127 C LEU A 10 0.071 5.655 3.262 1.00 0.00 C ATOM 128 O LEU A 10 -0.421 6.181 4.259 1.00 0.00 O ATOM 129 CB LEU A 10 -1.212 6.724 1.378 1.00 0.00 C ATOM 130 CG LEU A 10 -0.547 7.031 0.035 1.00 0.00 C ATOM 131 CD1 LEU A 10 -1.532 7.702 -0.910 1.00 0.00 C ATOM 132 CD2 LEU A 10 0.683 7.905 0.238 1.00 0.00 C ATOM 0 H LEU A 10 -2.722 5.125 2.735 1.00 0.00 H new ATOM 0 HA LEU A 10 -0.162 4.871 1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.293 6.702 1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.997 7.538 2.070 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.230 6.090 -0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.040 7.912 -1.860 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.381 7.040 -1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -1.882 8.635 -0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.144 8.114 -0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.389 8.842 0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 10 1.397 7.385 0.876 1.00 0.00 H new ATOM 144 N CYS A 11 1.333 5.235 3.213 1.00 0.00 N ATOM 145 CA CYS A 11 2.228 5.375 4.359 1.00 0.00 C ATOM 146 C CYS A 11 3.206 6.530 4.205 1.00 0.00 C ATOM 147 O CYS A 11 3.534 6.959 3.097 1.00 0.00 O ATOM 148 CB CYS A 11 2.990 4.071 4.596 1.00 0.00 C ATOM 149 SG CYS A 11 2.074 2.839 5.588 1.00 0.00 S ATOM 0 H CYS A 11 1.758 4.797 2.396 1.00 0.00 H new ATOM 0 HA CYS A 11 1.603 5.599 5.223 1.00 0.00 H new ATOM 0 HB2 CYS A 11 3.242 3.630 3.632 1.00 0.00 H new ATOM 0 HB3 CYS A 11 3.930 4.299 5.098 1.00 0.00 H new ATOM 154 N TYR A 12 3.651 7.023 5.353 1.00 0.00 N ATOM 155 CA TYR A 12 4.585 8.141 5.430 1.00 0.00 C ATOM 156 C TYR A 12 5.882 7.730 6.122 1.00 0.00 C ATOM 157 O TYR A 12 5.873 7.417 7.311 1.00 0.00 O ATOM 158 CB TYR A 12 3.944 9.266 6.238 1.00 0.00 C ATOM 159 CG TYR A 12 4.586 10.615 6.030 1.00 0.00 C ATOM 160 CD1 TYR A 12 4.354 11.353 4.877 1.00 0.00 C ATOM 161 CD2 TYR A 12 5.426 11.150 6.996 1.00 0.00 C ATOM 162 CE1 TYR A 12 4.944 12.589 4.692 1.00 0.00 C ATOM 163 CE2 TYR A 12 6.019 12.385 6.820 1.00 0.00 C ATOM 164 CZ TYR A 12 5.776 13.101 5.666 1.00 0.00 C ATOM 165 OH TYR A 12 6.365 14.331 5.486 1.00 0.00 O ATOM 0 H TYR A 12 3.373 6.657 6.264 1.00 0.00 H new ATOM 0 HA TYR A 12 4.815 8.467 4.415 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.889 9.333 5.974 1.00 0.00 H new ATOM 0 HB3 TYR A 12 3.992 9.012 7.297 1.00 0.00 H new ATOM 0 HD1 TYR A 12 3.703 10.955 4.113 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.619 10.592 7.900 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.755 13.151 3.789 1.00 0.00 H new ATOM 0 HE2 TYR A 12 6.670 12.788 7.582 1.00 0.00 H new ATOM 0 HH TYR A 12 6.920 14.545 6.265 1.00 0.00 H new ATOM 175 N GLN A 13 7.000 7.759 5.398 1.00 0.00 N ATOM 176 CA GLN A 13 8.288 7.409 5.995 1.00 0.00 C ATOM 177 C GLN A 13 9.059 8.677 6.337 1.00 0.00 C ATOM 178 O GLN A 13 8.750 9.754 5.827 1.00 0.00 O ATOM 179 CB GLN A 13 9.130 6.519 5.066 1.00 0.00 C ATOM 180 CG GLN A 13 8.378 5.970 3.867 1.00 0.00 C ATOM 181 CD GLN A 13 7.127 5.208 4.255 1.00 0.00 C ATOM 182 OE1 GLN A 13 6.010 5.701 4.096 1.00 0.00 O ATOM 183 NE2 GLN A 13 7.307 3.997 4.769 1.00 0.00 N ATOM 0 H GLN A 13 7.041 8.017 4.412 1.00 0.00 H new ATOM 0 HA GLN A 13 8.089 6.840 6.903 1.00 0.00 H new ATOM 0 HB2 GLN A 13 9.985 7.094 4.710 1.00 0.00 H new ATOM 0 HB3 GLN A 13 9.525 5.684 5.644 1.00 0.00 H new ATOM 0 HG2 GLN A 13 8.106 6.794 3.207 1.00 0.00 H new ATOM 0 HG3 GLN A 13 9.037 5.312 3.301 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.250 3.627 4.883 1.00 0.00 H new ATOM 0 HE22 GLN A 13 6.502 3.437 5.049 1.00 0.00 H new ATOM 192 N PRO A 14 10.080 8.571 7.202 1.00 0.00 N ATOM 193 CA PRO A 14 10.896 9.715 7.614 1.00 0.00 C ATOM 194 C PRO A 14 11.375 10.571 6.441 1.00 0.00 C ATOM 195 O PRO A 14 11.890 11.671 6.646 1.00 0.00 O ATOM 196 CB PRO A 14 12.096 9.076 8.335 1.00 0.00 C ATOM 197 CG PRO A 14 11.982 7.605 8.097 1.00 0.00 C ATOM 198 CD PRO A 14 10.528 7.333 7.849 1.00 0.00 C ATOM 0 HA PRO A 14 10.320 10.399 8.237 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.037 9.463 7.945 1.00 0.00 H new ATOM 0 HB3 PRO A 14 12.076 9.302 9.401 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.586 7.301 7.242 1.00 0.00 H new ATOM 0 HG3 PRO A 14 12.342 7.042 8.958 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.381 6.464 7.208 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.987 7.141 8.776 1.00 0.00 H new ATOM 206 N ASP A 15 11.219 10.075 5.214 1.00 0.00 N ATOM 207 CA ASP A 15 11.661 10.833 4.041 1.00 0.00 C ATOM 208 C ASP A 15 11.168 10.187 2.751 1.00 0.00 C ATOM 209 O ASP A 15 11.848 10.248 1.726 1.00 0.00 O ATOM 210 CB ASP A 15 13.188 10.912 4.021 1.00 0.00 C ATOM 211 CG ASP A 15 13.695 12.130 3.274 1.00 0.00 C ATOM 212 OD1 ASP A 15 13.292 12.320 2.107 1.00 0.00 O ATOM 213 OD2 ASP A 15 14.495 12.893 3.855 1.00 0.00 O ATOM 0 H ASP A 15 10.798 9.169 5.006 1.00 0.00 H new ATOM 0 HA ASP A 15 11.240 11.836 4.107 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.561 10.936 5.045 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.589 10.011 3.556 1.00 0.00 H new ATOM 218 N GLN A 16 9.994 9.559 2.796 1.00 0.00 N ATOM 219 CA GLN A 16 9.457 8.904 1.602 1.00 0.00 C ATOM 220 C GLN A 16 7.957 8.671 1.714 1.00 0.00 C ATOM 221 O GLN A 16 7.384 8.724 2.801 1.00 0.00 O ATOM 222 CB GLN A 16 10.171 7.568 1.376 1.00 0.00 C ATOM 223 CG GLN A 16 11.228 7.620 0.284 1.00 0.00 C ATOM 224 CD GLN A 16 12.400 6.699 0.564 1.00 0.00 C ATOM 225 OE1 GLN A 16 13.531 7.151 0.743 1.00 0.00 O ATOM 226 NE2 GLN A 16 12.135 5.398 0.603 1.00 0.00 N ATOM 0 H GLN A 16 9.406 9.489 3.627 1.00 0.00 H new ATOM 0 HA GLN A 16 9.631 9.565 0.753 1.00 0.00 H new ATOM 0 HB2 GLN A 16 10.639 7.253 2.309 1.00 0.00 H new ATOM 0 HB3 GLN A 16 9.432 6.809 1.119 1.00 0.00 H new ATOM 0 HG2 GLN A 16 10.775 7.346 -0.669 1.00 0.00 H new ATOM 0 HG3 GLN A 16 11.590 8.643 0.182 1.00 0.00 H new ATOM 0 HE21 GLN A 16 11.183 5.067 0.449 1.00 0.00 H new ATOM 0 HE22 GLN A 16 12.884 4.730 0.787 1.00 0.00 H new ATOM 235 N VAL A 17 7.332 8.403 0.575 1.00 0.00 N ATOM 236 CA VAL A 17 5.899 8.142 0.528 1.00 0.00 C ATOM 237 C VAL A 17 5.640 6.821 -0.188 1.00 0.00 C ATOM 238 O VAL A 17 5.977 6.664 -1.361 1.00 0.00 O ATOM 239 CB VAL A 17 5.116 9.276 -0.176 1.00 0.00 C ATOM 240 CG1 VAL A 17 4.169 9.944 0.811 1.00 0.00 C ATOM 241 CG2 VAL A 17 6.053 10.308 -0.811 1.00 0.00 C ATOM 0 H VAL A 17 7.797 8.361 -0.332 1.00 0.00 H new ATOM 0 HA VAL A 17 5.544 8.089 1.557 1.00 0.00 H new ATOM 0 HB VAL A 17 4.535 8.831 -0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.622 10.741 0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 17 3.464 9.206 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.742 10.364 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.463 11.086 -1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.679 10.754 -0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 17 6.685 9.818 -1.552 1.00 0.00 H new ATOM 251 N CYS A 18 5.065 5.862 0.531 1.00 0.00 N ATOM 252 CA CYS A 18 4.795 4.544 -0.040 1.00 0.00 C ATOM 253 C CYS A 18 3.321 4.173 0.050 1.00 0.00 C ATOM 254 O CYS A 18 2.680 4.386 1.077 1.00 0.00 O ATOM 255 CB CYS A 18 5.619 3.485 0.692 1.00 0.00 C ATOM 256 SG CYS A 18 7.415 3.627 0.438 1.00 0.00 S ATOM 0 H CYS A 18 4.778 5.970 1.504 1.00 0.00 H new ATOM 0 HA CYS A 18 5.072 4.583 -1.093 1.00 0.00 H new ATOM 0 HB2 CYS A 18 5.408 3.551 1.759 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.294 2.498 0.364 1.00 0.00 H new ATOM 261 N CYS A 19 2.797 3.587 -1.022 1.00 0.00 N ATOM 262 CA CYS A 19 1.399 3.154 -1.040 1.00 0.00 C ATOM 263 C CYS A 19 1.311 1.669 -1.331 1.00 0.00 C ATOM 264 O CYS A 19 2.128 1.120 -2.074 1.00 0.00 O ATOM 265 CB CYS A 19 0.588 3.924 -2.077 1.00 0.00 C ATOM 266 SG CYS A 19 -1.201 3.597 -2.010 1.00 0.00 S ATOM 0 H CYS A 19 3.311 3.401 -1.883 1.00 0.00 H new ATOM 0 HA CYS A 19 0.980 3.359 -0.055 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.757 4.991 -1.936 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.956 3.672 -3.071 1.00 0.00 H new ATOM 271 N PHE A 20 0.320 1.018 -0.742 1.00 0.00 N ATOM 272 CA PHE A 20 0.142 -0.414 -0.950 1.00 0.00 C ATOM 273 C PHE A 20 -1.326 -0.789 -1.090 1.00 0.00 C ATOM 274 O PHE A 20 -2.173 -0.364 -0.304 1.00 0.00 O ATOM 275 CB PHE A 20 0.759 -1.220 0.197 1.00 0.00 C ATOM 276 CG PHE A 20 1.912 -0.542 0.880 1.00 0.00 C ATOM 277 CD1 PHE A 20 1.710 0.567 1.684 1.00 0.00 C ATOM 278 CD2 PHE A 20 3.198 -1.029 0.726 1.00 0.00 C ATOM 279 CE1 PHE A 20 2.773 1.177 2.321 1.00 0.00 C ATOM 280 CE2 PHE A 20 4.265 -0.422 1.358 1.00 0.00 C ATOM 281 CZ PHE A 20 4.052 0.683 2.158 1.00 0.00 C ATOM 0 H PHE A 20 -0.366 1.450 -0.123 1.00 0.00 H new ATOM 0 HA PHE A 20 0.654 -0.658 -1.881 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.014 -1.428 0.936 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.096 -2.181 -0.191 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.712 0.959 1.814 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.369 -1.895 0.104 1.00 0.00 H new ATOM 0 HE1 PHE A 20 2.604 2.041 2.947 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.264 -0.811 1.227 1.00 0.00 H new ATOM 0 HZ PHE A 20 4.884 1.160 2.655 1.00 0.00 H new ATOM 291 N ILE A 21 -1.602 -1.622 -2.082 1.00 0.00 N ATOM 292 CA ILE A 21 -2.951 -2.113 -2.331 1.00 0.00 C ATOM 293 C ILE A 21 -3.017 -3.570 -1.917 1.00 0.00 C ATOM 294 O ILE A 21 -2.135 -4.352 -2.276 1.00 0.00 O ATOM 295 CB ILE A 21 -3.338 -1.989 -3.817 1.00 0.00 C ATOM 296 CG1 ILE A 21 -2.974 -0.601 -4.348 1.00 0.00 C ATOM 297 CG2 ILE A 21 -4.822 -2.264 -4.004 1.00 0.00 C ATOM 298 CD1 ILE A 21 -1.641 -0.558 -5.062 1.00 0.00 C ATOM 0 H ILE A 21 -0.902 -1.976 -2.734 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.651 -1.510 -1.753 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.778 -2.732 -4.386 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.754 -0.266 -5.032 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.955 0.104 -3.517 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -5.079 -2.172 -5.059 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.051 -3.273 -3.661 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.401 -1.544 -3.426 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.448 0.456 -5.412 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.851 -0.862 -4.376 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.663 -1.237 -5.914 1.00 0.00 H new ATOM 310 N CYS A 22 -4.028 -3.947 -1.137 1.00 0.00 N ATOM 311 CA CYS A 22 -4.109 -5.334 -0.695 1.00 0.00 C ATOM 312 C CYS A 22 -5.496 -5.954 -0.891 1.00 0.00 C ATOM 313 O CYS A 22 -6.384 -5.353 -1.502 1.00 0.00 O ATOM 314 CB CYS A 22 -3.689 -5.464 0.776 1.00 0.00 C ATOM 315 SG CYS A 22 -2.064 -4.741 1.162 1.00 0.00 S ATOM 0 H CYS A 22 -4.776 -3.336 -0.809 1.00 0.00 H new ATOM 0 HA CYS A 22 -3.417 -5.889 -1.328 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -4.443 -4.985 1.400 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -3.676 -6.520 1.045 1.00 0.00 H new ATOM 320 N ARG A 23 -5.659 -7.178 -0.362 1.00 0.00 N ATOM 321 CA ARG A 23 -6.893 -7.925 -0.464 1.00 0.00 C ATOM 322 C ARG A 23 -7.005 -8.860 0.753 1.00 0.00 C ATOM 323 O ARG A 23 -7.032 -10.084 0.588 1.00 0.00 O ATOM 324 CB ARG A 23 -6.879 -8.754 -1.754 1.00 0.00 C ATOM 325 CG ARG A 23 -8.209 -8.759 -2.493 1.00 0.00 C ATOM 326 CD ARG A 23 -9.347 -9.235 -1.603 1.00 0.00 C ATOM 327 NE ARG A 23 -10.013 -10.415 -2.149 1.00 0.00 N ATOM 328 CZ ARG A 23 -9.555 -11.658 -2.012 1.00 0.00 C ATOM 329 NH1 ARG A 23 -8.430 -11.890 -1.347 1.00 0.00 N ATOM 330 NH2 ARG A 23 -10.225 -12.673 -2.541 1.00 0.00 N ATOM 0 H ARG A 23 -4.924 -7.668 0.149 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.744 -7.244 -0.486 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.107 -8.365 -2.417 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.604 -9.781 -1.513 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.427 -7.755 -2.856 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.137 -9.405 -3.368 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -8.959 -9.465 -0.611 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.074 -8.432 -1.483 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.881 -10.279 -2.666 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.911 -11.114 -0.937 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.085 -12.845 -1.246 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.091 -12.501 -3.053 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.875 -13.625 -2.436 1.00 0.00 H new ATOM 344 N GLY A 24 -7.028 -8.300 1.982 1.00 0.00 N ATOM 345 CA GLY A 24 -7.120 -9.139 3.158 1.00 0.00 C ATOM 346 C GLY A 24 -6.034 -8.881 4.190 1.00 0.00 C ATOM 347 O GLY A 24 -6.004 -9.551 5.223 1.00 0.00 O ATOM 0 H GLY A 24 -6.985 -7.298 2.166 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.093 -8.987 3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.074 -10.184 2.851 1.00 0.00 H new ATOM 351 N ALA A 25 -5.131 -7.930 3.934 1.00 0.00 N ATOM 352 CA ALA A 25 -4.062 -7.664 4.906 1.00 0.00 C ATOM 353 C ALA A 25 -3.304 -6.359 4.614 1.00 0.00 C ATOM 354 O ALA A 25 -3.806 -5.485 3.908 1.00 0.00 O ATOM 355 CB ALA A 25 -3.100 -8.842 4.927 1.00 0.00 C ATOM 0 H ALA A 25 -5.114 -7.350 3.095 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.527 -7.540 5.884 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.305 -8.649 5.647 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.638 -9.746 5.213 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.667 -8.976 3.936 1.00 0.00 H new ATOM 361 N ALA A 26 -2.087 -6.233 5.176 1.00 0.00 N ATOM 362 CA ALA A 26 -1.260 -5.036 4.988 1.00 0.00 C ATOM 363 C ALA A 26 0.124 -5.252 5.602 1.00 0.00 C ATOM 364 O ALA A 26 0.239 -5.825 6.685 1.00 0.00 O ATOM 365 CB ALA A 26 -1.934 -3.830 5.624 1.00 0.00 C ATOM 0 H ALA A 26 -1.659 -6.948 5.763 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.145 -4.851 3.920 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.312 -2.947 5.479 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.907 -3.669 5.159 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.067 -4.008 6.691 1.00 0.00 H new ATOM 371 N PRO A 27 1.199 -4.801 4.928 1.00 0.00 N ATOM 372 CA PRO A 27 2.565 -4.961 5.437 1.00 0.00 C ATOM 373 C PRO A 27 2.726 -4.376 6.833 1.00 0.00 C ATOM 374 O PRO A 27 2.151 -3.335 7.149 1.00 0.00 O ATOM 375 CB PRO A 27 3.421 -4.189 4.429 1.00 0.00 C ATOM 376 CG PRO A 27 2.607 -4.160 3.183 1.00 0.00 C ATOM 377 CD PRO A 27 1.176 -4.101 3.633 1.00 0.00 C ATOM 0 HA PRO A 27 2.845 -6.010 5.530 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.638 -3.181 4.784 1.00 0.00 H new ATOM 0 HB3 PRO A 27 4.379 -4.682 4.264 1.00 0.00 H new ATOM 0 HG2 PRO A 27 2.860 -3.295 2.570 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.790 -5.046 2.575 1.00 0.00 H new ATOM 0 HD2 PRO A 27 0.829 -3.073 3.738 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.510 -4.591 2.923 1.00 0.00 H new ATOM 385 N LEU A 28 3.512 -5.049 7.664 1.00 0.00 N ATOM 386 CA LEU A 28 3.746 -4.581 9.037 1.00 0.00 C ATOM 387 C LEU A 28 4.488 -3.242 9.035 1.00 0.00 C ATOM 388 O LEU A 28 5.667 -3.180 8.686 1.00 0.00 O ATOM 389 CB LEU A 28 4.552 -5.620 9.820 1.00 0.00 C ATOM 390 CG LEU A 28 4.624 -5.380 11.329 1.00 0.00 C ATOM 391 CD1 LEU A 28 3.251 -5.546 11.962 1.00 0.00 C ATOM 392 CD2 LEU A 28 5.626 -6.327 11.971 1.00 0.00 C ATOM 0 H LEU A 28 3.997 -5.913 7.421 1.00 0.00 H new ATOM 0 HA LEU A 28 2.778 -4.442 9.519 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.116 -6.603 9.644 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.567 -5.645 9.423 1.00 0.00 H new ATOM 0 HG LEU A 28 4.959 -4.357 11.500 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.322 -5.372 13.036 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.559 -4.828 11.523 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.887 -6.558 11.782 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.665 -6.143 13.045 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.320 -7.357 11.791 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.613 -6.161 11.539 1.00 0.00 H new ATOM 404 N PRO A 29 3.806 -2.146 9.425 1.00 0.00 N ATOM 405 CA PRO A 29 4.413 -0.808 9.463 1.00 0.00 C ATOM 406 C PRO A 29 5.549 -0.720 10.477 1.00 0.00 C ATOM 407 O PRO A 29 5.569 -1.454 11.465 1.00 0.00 O ATOM 408 CB PRO A 29 3.257 0.112 9.880 1.00 0.00 C ATOM 409 CG PRO A 29 2.017 -0.681 9.646 1.00 0.00 C ATOM 410 CD PRO A 29 2.400 -2.116 9.858 1.00 0.00 C ATOM 0 HA PRO A 29 4.857 -0.541 8.504 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.345 0.404 10.926 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.253 1.030 9.292 1.00 0.00 H new ATOM 0 HG2 PRO A 29 1.227 -0.382 10.334 1.00 0.00 H new ATOM 0 HG3 PRO A 29 1.637 -0.523 8.637 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.292 -2.414 10.901 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.781 -2.791 9.268 1.00 0.00 H new ATOM 418 N SER A 30 6.497 0.178 10.223 1.00 0.00 N ATOM 419 CA SER A 30 7.642 0.350 11.121 1.00 0.00 C ATOM 420 C SER A 30 8.397 1.656 10.816 1.00 0.00 C ATOM 421 O SER A 30 8.669 2.436 11.729 1.00 0.00 O ATOM 422 CB SER A 30 8.597 -0.836 10.975 1.00 0.00 C ATOM 423 OG SER A 30 8.922 -1.065 9.614 1.00 0.00 O ATOM 0 H SER A 30 6.499 0.795 9.410 1.00 0.00 H new ATOM 0 HA SER A 30 7.266 0.400 12.143 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.508 -0.645 11.543 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.139 -1.730 11.398 1.00 0.00 H new ATOM 0 HG SER A 30 9.535 -1.827 9.548 1.00 0.00 H new ATOM 429 N GLU A 31 8.754 1.899 9.534 1.00 0.00 N ATOM 430 CA GLU A 31 9.487 3.113 9.176 1.00 0.00 C ATOM 431 C GLU A 31 8.543 4.231 8.730 1.00 0.00 C ATOM 432 O GLU A 31 8.898 5.036 7.870 1.00 0.00 O ATOM 433 CB GLU A 31 10.484 2.810 8.056 1.00 0.00 C ATOM 434 CG GLU A 31 9.826 2.383 6.754 1.00 0.00 C ATOM 435 CD GLU A 31 9.945 0.893 6.501 1.00 0.00 C ATOM 436 OE1 GLU A 31 9.084 0.136 6.995 1.00 0.00 O ATOM 437 OE2 GLU A 31 10.900 0.484 5.807 1.00 0.00 O ATOM 0 H GLU A 31 8.547 1.278 8.752 1.00 0.00 H new ATOM 0 HA GLU A 31 10.019 3.452 10.065 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.092 3.696 7.873 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.161 2.022 8.387 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.772 2.661 6.776 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.282 2.926 5.926 1.00 0.00 H new ATOM 444 N GLY A 32 7.346 4.285 9.313 1.00 0.00 N ATOM 445 CA GLY A 32 6.398 5.329 8.939 1.00 0.00 C ATOM 446 C GLY A 32 4.972 4.992 9.325 1.00 0.00 C ATOM 447 O GLY A 32 4.681 3.858 9.706 1.00 0.00 O ATOM 0 H GLY A 32 7.017 3.636 10.028 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.688 6.265 9.417 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.450 5.492 7.862 1.00 0.00 H new ATOM 451 N GLU A 33 4.074 5.974 9.227 1.00 0.00 N ATOM 452 CA GLU A 33 2.671 5.741 9.576 1.00 0.00 C ATOM 453 C GLU A 33 1.843 5.463 8.314 1.00 0.00 C ATOM 454 O GLU A 33 2.405 5.169 7.261 1.00 0.00 O ATOM 455 CB GLU A 33 2.104 6.946 10.332 1.00 0.00 C ATOM 456 CG GLU A 33 1.944 8.190 9.471 1.00 0.00 C ATOM 457 CD GLU A 33 1.491 9.396 10.270 1.00 0.00 C ATOM 458 OE1 GLU A 33 0.747 9.210 11.256 1.00 0.00 O ATOM 459 OE2 GLU A 33 1.881 10.527 9.910 1.00 0.00 O ATOM 0 H GLU A 33 4.287 6.921 8.915 1.00 0.00 H new ATOM 0 HA GLU A 33 2.616 4.866 10.224 1.00 0.00 H new ATOM 0 HB2 GLU A 33 1.134 6.677 10.750 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.760 7.178 11.171 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.893 8.416 8.985 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.221 7.990 8.680 1.00 0.00 H new ATOM 466 N CYS A 34 0.511 5.560 8.413 1.00 0.00 N ATOM 467 CA CYS A 34 -0.353 5.315 7.252 1.00 0.00 C ATOM 468 C CYS A 34 -1.739 5.908 7.464 1.00 0.00 C ATOM 469 O CYS A 34 -2.158 6.164 8.593 1.00 0.00 O ATOM 470 CB CYS A 34 -0.470 3.812 6.964 1.00 0.00 C ATOM 471 SG CYS A 34 0.116 3.314 5.309 1.00 0.00 S ATOM 0 H CYS A 34 0.015 5.802 9.271 1.00 0.00 H new ATOM 0 HA CYS A 34 0.107 5.804 6.393 1.00 0.00 H new ATOM 0 HB2 CYS A 34 0.097 3.265 7.717 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.513 3.514 7.072 1.00 0.00 H new ATOM 476 N ASN A 35 -2.441 6.120 6.360 1.00 0.00 N ATOM 477 CA ASN A 35 -3.788 6.682 6.395 1.00 0.00 C ATOM 478 C ASN A 35 -4.704 5.948 5.418 1.00 0.00 C ATOM 479 O ASN A 35 -4.241 5.385 4.422 1.00 0.00 O ATOM 480 CB ASN A 35 -3.748 8.175 6.056 1.00 0.00 C ATOM 481 CG ASN A 35 -4.015 9.050 7.265 1.00 0.00 C ATOM 482 OD1 ASN A 35 -5.126 9.546 7.453 1.00 0.00 O ATOM 483 ND2 ASN A 35 -2.995 9.244 8.092 1.00 0.00 N ATOM 0 H ASN A 35 -2.099 5.910 5.422 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.185 6.558 7.402 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.772 8.424 5.639 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.488 8.390 5.285 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.115 9.824 8.923 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.091 8.813 7.897 1.00 0.00 H new ATOM 490 N PRO A 36 -6.020 5.944 5.692 1.00 0.00 N ATOM 491 CA PRO A 36 -7.006 5.274 4.837 1.00 0.00 C ATOM 492 C PRO A 36 -7.041 5.854 3.427 1.00 0.00 C ATOM 493 O PRO A 36 -7.162 7.066 3.245 1.00 0.00 O ATOM 494 CB PRO A 36 -8.340 5.521 5.552 1.00 0.00 C ATOM 495 CG PRO A 36 -8.092 6.687 6.446 1.00 0.00 C ATOM 496 CD PRO A 36 -6.651 6.590 6.855 1.00 0.00 C ATOM 0 HA PRO A 36 -6.772 4.218 4.705 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.136 5.734 4.838 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.649 4.645 6.123 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -8.289 7.626 5.928 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -8.748 6.659 7.316 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -6.221 7.572 7.054 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -6.528 5.998 7.762 1.00 0.00 H new ATOM 504 N HIS A 37 -6.937 4.978 2.434 1.00 0.00 N ATOM 505 CA HIS A 37 -6.959 5.396 1.033 1.00 0.00 C ATOM 506 C HIS A 37 -7.371 4.221 0.150 1.00 0.00 C ATOM 507 O HIS A 37 -6.524 3.455 -0.304 1.00 0.00 O ATOM 508 CB HIS A 37 -5.580 5.923 0.614 1.00 0.00 C ATOM 509 CG HIS A 37 -5.533 6.429 -0.795 1.00 0.00 C ATOM 510 ND1 HIS A 37 -4.435 6.272 -1.614 1.00 0.00 N ATOM 511 CD2 HIS A 37 -6.454 7.098 -1.528 1.00 0.00 C ATOM 512 CE1 HIS A 37 -4.682 6.824 -2.789 1.00 0.00 C ATOM 513 NE2 HIS A 37 -5.900 7.331 -2.762 1.00 0.00 N ATOM 0 H HIS A 37 -6.836 3.972 2.571 1.00 0.00 H new ATOM 0 HA HIS A 37 -7.685 6.200 0.913 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -5.287 6.727 1.290 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -4.845 5.126 0.729 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -7.441 7.393 -1.202 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -4.003 6.855 -3.628 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -6.356 7.818 -3.534 1.00 0.00 H new ATOM 522 N PRO A 38 -8.689 4.059 -0.093 1.00 0.00 N ATOM 523 CA PRO A 38 -9.233 2.972 -0.906 1.00 0.00 C ATOM 524 C PRO A 38 -8.288 2.513 -2.013 1.00 0.00 C ATOM 525 O PRO A 38 -7.752 1.405 -1.958 1.00 0.00 O ATOM 526 CB PRO A 38 -10.497 3.604 -1.479 1.00 0.00 C ATOM 527 CG PRO A 38 -10.978 4.524 -0.402 1.00 0.00 C ATOM 528 CD PRO A 38 -9.768 4.926 0.416 1.00 0.00 C ATOM 0 HA PRO A 38 -9.405 2.064 -0.328 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.286 4.147 -2.400 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.245 2.848 -1.719 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -11.460 5.402 -0.832 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.719 4.028 0.225 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.529 5.981 0.283 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -9.937 4.770 1.481 1.00 0.00 H new ATOM 536 N THR A 39 -8.077 3.365 -3.009 1.00 0.00 N ATOM 537 CA THR A 39 -7.182 3.029 -4.116 1.00 0.00 C ATOM 538 C THR A 39 -6.685 4.301 -4.808 1.00 0.00 C ATOM 539 O THR A 39 -6.743 5.386 -4.229 1.00 0.00 O ATOM 540 CB THR A 39 -7.901 2.128 -5.123 1.00 0.00 C ATOM 541 OG1 THR A 39 -9.010 1.486 -4.519 1.00 0.00 O ATOM 542 CG2 THR A 39 -7.010 1.053 -5.705 1.00 0.00 C ATOM 0 H THR A 39 -8.508 4.287 -3.076 1.00 0.00 H new ATOM 0 HA THR A 39 -6.322 2.493 -3.715 1.00 0.00 H new ATOM 0 HB THR A 39 -8.219 2.790 -5.928 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.457 0.916 -5.179 1.00 0.00 H new ATOM 0 HG21 THR A 39 -7.581 0.450 -6.411 1.00 0.00 H new ATOM 0 HG22 THR A 39 -6.170 1.517 -6.221 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.636 0.416 -4.903 1.00 0.00 H new ATOM 550 N ALA A 40 -6.191 4.172 -6.045 1.00 0.00 N ATOM 551 CA ALA A 40 -5.683 5.337 -6.788 1.00 0.00 C ATOM 552 C ALA A 40 -4.980 4.898 -8.069 1.00 0.00 C ATOM 553 O ALA A 40 -4.468 3.782 -8.152 1.00 0.00 O ATOM 554 CB ALA A 40 -4.721 6.136 -5.916 1.00 0.00 C ATOM 0 H ALA A 40 -6.131 3.287 -6.549 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.531 5.967 -7.057 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.351 6.995 -6.475 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.241 6.481 -5.022 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.882 5.504 -5.626 1.00 0.00 H new ATOM 560 N PRO A 41 -4.933 5.777 -9.083 1.00 0.00 N ATOM 561 CA PRO A 41 -4.272 5.472 -10.354 1.00 0.00 C ATOM 562 C PRO A 41 -2.754 5.404 -10.206 1.00 0.00 C ATOM 563 O PRO A 41 -2.057 4.906 -11.087 1.00 0.00 O ATOM 564 CB PRO A 41 -4.672 6.644 -11.253 1.00 0.00 C ATOM 565 CG PRO A 41 -4.945 7.766 -10.313 1.00 0.00 C ATOM 566 CD PRO A 41 -5.504 7.137 -9.066 1.00 0.00 C ATOM 0 HA PRO A 41 -4.567 4.500 -10.749 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.874 6.898 -11.951 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -5.553 6.403 -11.849 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.033 8.322 -10.094 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.654 8.473 -10.745 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -5.208 7.686 -8.172 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -6.594 7.115 -9.081 1.00 0.00 H new ATOM 574 N TRP A 42 -2.253 5.898 -9.076 1.00 0.00 N ATOM 575 CA TRP A 42 -0.820 5.890 -8.795 1.00 0.00 C ATOM 576 C TRP A 42 -0.445 4.640 -7.985 1.00 0.00 C ATOM 577 O TRP A 42 0.441 3.886 -8.392 1.00 0.00 O ATOM 578 CB TRP A 42 -0.422 7.146 -8.019 1.00 0.00 C ATOM 579 CG TRP A 42 1.035 7.186 -7.674 1.00 0.00 C ATOM 580 CD1 TRP A 42 2.052 7.645 -8.461 1.00 0.00 C ATOM 581 CD2 TRP A 42 1.640 6.739 -6.455 1.00 0.00 C ATOM 582 NE1 TRP A 42 3.252 7.512 -7.806 1.00 0.00 N ATOM 583 CE2 TRP A 42 3.025 6.959 -6.572 1.00 0.00 C ATOM 584 CE3 TRP A 42 1.148 6.177 -5.275 1.00 0.00 C ATOM 585 CZ2 TRP A 42 3.917 6.635 -5.554 1.00 0.00 C ATOM 586 CZ3 TRP A 42 2.039 5.858 -4.268 1.00 0.00 C ATOM 587 CH2 TRP A 42 3.407 6.087 -4.412 1.00 0.00 C ATOM 0 H TRP A 42 -2.822 6.311 -8.337 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.283 5.875 -9.743 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.674 8.026 -8.610 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.008 7.200 -7.102 1.00 0.00 H new ATOM 0 HD1 TRP A 42 1.931 8.053 -9.454 1.00 0.00 H new ATOM 0 HE1 TRP A 42 4.163 7.781 -8.177 1.00 0.00 H new ATOM 0 HE3 TRP A 42 0.091 5.995 -5.152 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.977 6.811 -5.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.669 5.423 -3.352 1.00 0.00 H new ATOM 0 HH2 TRP A 42 4.076 5.826 -3.605 1.00 0.00 H new ATOM 598 N CYS A 43 -1.129 4.396 -6.839 1.00 0.00 N ATOM 599 CA CYS A 43 -0.829 3.205 -6.035 1.00 0.00 C ATOM 600 C CYS A 43 -0.824 1.960 -6.944 1.00 0.00 C ATOM 601 O CYS A 43 -0.034 1.044 -6.723 1.00 0.00 O ATOM 602 CB CYS A 43 -1.863 3.039 -4.911 1.00 0.00 C ATOM 603 SG CYS A 43 -1.900 4.421 -3.726 1.00 0.00 S ATOM 0 H CYS A 43 -1.868 4.993 -6.467 1.00 0.00 H new ATOM 0 HA CYS A 43 0.154 3.322 -5.579 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.852 2.929 -5.355 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -1.651 2.116 -4.370 1.00 0.00 H new ATOM 608 N ARG A 44 -1.687 1.931 -7.992 1.00 0.00 N ATOM 609 CA ARG A 44 -1.718 0.797 -8.907 1.00 0.00 C ATOM 610 C ARG A 44 -0.711 1.019 -10.046 1.00 0.00 C ATOM 611 O ARG A 44 -0.035 0.078 -10.461 1.00 0.00 O ATOM 612 CB ARG A 44 -3.123 0.626 -9.488 1.00 0.00 C ATOM 613 CG ARG A 44 -3.400 -0.775 -10.008 1.00 0.00 C ATOM 614 CD ARG A 44 -4.687 -0.825 -10.815 1.00 0.00 C ATOM 615 NE ARG A 44 -5.411 -2.078 -10.613 1.00 0.00 N ATOM 616 CZ ARG A 44 -5.091 -3.224 -11.211 1.00 0.00 C ATOM 617 NH1 ARG A 44 -4.058 -3.280 -12.043 1.00 0.00 N ATOM 618 NH2 ARG A 44 -5.803 -4.316 -10.973 1.00 0.00 N ATOM 0 H ARG A 44 -2.353 2.673 -8.209 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.449 -0.105 -8.358 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.857 0.871 -8.720 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.261 1.340 -10.300 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -2.567 -1.105 -10.629 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.468 -1.469 -9.170 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.325 0.012 -10.532 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -4.456 -0.706 -11.874 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.208 -2.075 -9.977 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.505 -2.443 -12.227 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.817 -4.160 -12.498 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.596 -4.278 -10.332 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.558 -5.194 -11.431 1.00 0.00 H new ATOM 632 N GLU A 45 -0.594 2.271 -10.556 1.00 0.00 N ATOM 633 CA GLU A 45 0.362 2.549 -11.641 1.00 0.00 C ATOM 634 C GLU A 45 1.758 1.973 -11.320 1.00 0.00 C ATOM 635 O GLU A 45 2.510 1.665 -12.246 1.00 0.00 O ATOM 636 CB GLU A 45 0.481 4.058 -11.862 1.00 0.00 C ATOM 637 CG GLU A 45 -0.283 4.559 -13.077 1.00 0.00 C ATOM 638 CD GLU A 45 -0.417 6.069 -13.098 1.00 0.00 C ATOM 639 OE1 GLU A 45 0.619 6.754 -13.233 1.00 0.00 O ATOM 640 OE2 GLU A 45 -1.556 6.566 -12.980 1.00 0.00 O ATOM 0 H GLU A 45 -1.134 3.077 -10.241 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.014 2.069 -12.545 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.116 4.576 -10.975 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.534 4.318 -11.973 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.226 4.230 -13.983 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.276 4.109 -13.088 1.00 0.00 H new ATOM 647 N GLY A 46 2.128 1.818 -10.020 1.00 0.00 N ATOM 648 CA GLY A 46 3.469 1.263 -9.729 1.00 0.00 C ATOM 649 C GLY A 46 3.430 -0.023 -8.923 1.00 0.00 C ATOM 650 O GLY A 46 4.374 -0.811 -8.976 1.00 0.00 O ATOM 0 H GLY A 46 1.557 2.053 -9.208 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.989 1.078 -10.669 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.051 2.006 -9.184 1.00 0.00 H new ATOM 654 N ALA A 47 2.353 -0.252 -8.175 1.00 0.00 N ATOM 655 CA ALA A 47 2.249 -1.474 -7.372 1.00 0.00 C ATOM 656 C ALA A 47 1.864 -2.669 -8.239 1.00 0.00 C ATOM 657 O ALA A 47 0.830 -3.301 -8.022 1.00 0.00 O ATOM 658 CB ALA A 47 1.248 -1.295 -6.239 1.00 0.00 C ATOM 0 H ALA A 47 1.553 0.377 -8.106 1.00 0.00 H new ATOM 0 HA ALA A 47 3.229 -1.670 -6.938 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.188 -2.215 -5.657 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.571 -0.478 -5.594 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.267 -1.064 -6.654 1.00 0.00 H new ATOM 664 N VAL A 48 2.708 -2.976 -9.222 1.00 0.00 N ATOM 665 CA VAL A 48 2.458 -4.101 -10.122 1.00 0.00 C ATOM 666 C VAL A 48 3.142 -5.376 -9.619 1.00 0.00 C ATOM 667 O VAL A 48 3.549 -6.224 -10.413 1.00 0.00 O ATOM 668 CB VAL A 48 2.951 -3.791 -11.551 1.00 0.00 C ATOM 669 CG1 VAL A 48 4.465 -3.634 -11.578 1.00 0.00 C ATOM 670 CG2 VAL A 48 2.499 -4.873 -12.522 1.00 0.00 C ATOM 0 H VAL A 48 3.568 -2.464 -9.416 1.00 0.00 H new ATOM 0 HA VAL A 48 1.380 -4.260 -10.142 1.00 0.00 H new ATOM 0 HB VAL A 48 2.509 -2.846 -11.867 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.790 -3.416 -12.595 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.758 -2.816 -10.920 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.933 -4.558 -11.238 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.857 -4.635 -13.524 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.906 -5.835 -12.210 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.410 -4.924 -12.528 1.00 0.00 H new ATOM 680 N GLU A 49 3.268 -5.510 -8.297 1.00 0.00 N ATOM 681 CA GLU A 49 3.902 -6.683 -7.704 1.00 0.00 C ATOM 682 C GLU A 49 2.972 -7.327 -6.683 1.00 0.00 C ATOM 683 O GLU A 49 2.201 -6.639 -6.014 1.00 0.00 O ATOM 684 CB GLU A 49 5.225 -6.290 -7.040 1.00 0.00 C ATOM 685 CG GLU A 49 5.868 -7.413 -6.239 1.00 0.00 C ATOM 686 CD GLU A 49 7.361 -7.522 -6.480 1.00 0.00 C ATOM 687 OE1 GLU A 49 7.981 -6.498 -6.835 1.00 0.00 O ATOM 688 OE2 GLU A 49 7.909 -8.632 -6.314 1.00 0.00 O ATOM 0 H GLU A 49 2.939 -4.821 -7.621 1.00 0.00 H new ATOM 0 HA GLU A 49 4.107 -7.406 -8.494 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.923 -5.960 -7.809 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.051 -5.440 -6.381 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.687 -7.247 -5.177 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.392 -8.358 -6.499 1.00 0.00 H new ATOM 695 N TRP A 50 3.046 -8.647 -6.565 1.00 0.00 N ATOM 696 CA TRP A 50 2.202 -9.372 -5.620 1.00 0.00 C ATOM 697 C TRP A 50 2.886 -9.503 -4.263 1.00 0.00 C ATOM 698 O TRP A 50 4.094 -9.300 -4.139 1.00 0.00 O ATOM 699 CB TRP A 50 1.854 -10.758 -6.168 1.00 0.00 C ATOM 700 CG TRP A 50 0.516 -10.814 -6.841 1.00 0.00 C ATOM 701 CD1 TRP A 50 0.226 -11.406 -8.037 1.00 0.00 C ATOM 702 CD2 TRP A 50 -0.715 -10.257 -6.360 1.00 0.00 C ATOM 703 NE1 TRP A 50 -1.107 -11.252 -8.329 1.00 0.00 N ATOM 704 CE2 TRP A 50 -1.706 -10.551 -7.316 1.00 0.00 C ATOM 705 CE3 TRP A 50 -1.075 -9.539 -5.215 1.00 0.00 C ATOM 706 CZ2 TRP A 50 -3.032 -10.152 -7.160 1.00 0.00 C ATOM 707 CZ3 TRP A 50 -2.392 -9.145 -5.062 1.00 0.00 C ATOM 708 CH2 TRP A 50 -3.356 -9.453 -6.030 1.00 0.00 C ATOM 0 H TRP A 50 3.678 -9.236 -7.108 1.00 0.00 H new ATOM 0 HA TRP A 50 1.282 -8.803 -5.487 1.00 0.00 H new ATOM 0 HB2 TRP A 50 2.623 -11.063 -6.878 1.00 0.00 H new ATOM 0 HB3 TRP A 50 1.871 -11.479 -5.350 1.00 0.00 H new ATOM 0 HD1 TRP A 50 0.941 -11.920 -8.662 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -1.575 -11.603 -9.165 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.338 -9.297 -4.464 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.778 -10.387 -7.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.682 -8.591 -4.182 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -4.376 -9.132 -5.881 1.00 0.00 H new ATOM 719 N VAL A 51 2.099 -9.844 -3.251 1.00 0.00 N ATOM 720 CA VAL A 51 2.613 -10.005 -1.892 1.00 0.00 C ATOM 721 C VAL A 51 1.839 -11.094 -1.150 1.00 0.00 C ATOM 722 O VAL A 51 0.609 -11.102 -1.157 1.00 0.00 O ATOM 723 CB VAL A 51 2.514 -8.691 -1.097 1.00 0.00 C ATOM 724 CG1 VAL A 51 3.211 -8.825 0.248 1.00 0.00 C ATOM 725 CG2 VAL A 51 3.102 -7.538 -1.898 1.00 0.00 C ATOM 0 H VAL A 51 1.098 -10.016 -3.344 1.00 0.00 H new ATOM 0 HA VAL A 51 3.662 -10.291 -1.974 1.00 0.00 H new ATOM 0 HB VAL A 51 1.461 -8.477 -0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.130 -7.886 0.795 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.740 -9.622 0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.263 -9.064 0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.024 -6.617 -1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.151 -7.743 -2.114 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.553 -7.428 -2.833 1.00 0.00 H new ATOM 735 N PRO A 52 2.544 -12.045 -0.517 1.00 0.00 N ATOM 736 CA PRO A 52 1.913 -13.142 0.203 1.00 0.00 C ATOM 737 C PRO A 52 1.723 -12.868 1.695 1.00 0.00 C ATOM 738 O PRO A 52 2.567 -13.241 2.509 1.00 0.00 O ATOM 739 CB PRO A 52 2.924 -14.264 -0.001 1.00 0.00 C ATOM 740 CG PRO A 52 4.253 -13.575 -0.005 1.00 0.00 C ATOM 741 CD PRO A 52 4.012 -12.155 -0.472 1.00 0.00 C ATOM 0 HA PRO A 52 0.905 -13.346 -0.157 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.863 -15.003 0.797 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.748 -14.792 -0.938 1.00 0.00 H new ATOM 0 HG2 PRO A 52 4.695 -13.584 0.991 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.951 -14.086 -0.668 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.447 -11.429 0.215 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.457 -11.975 -1.451 1.00 0.00 H new ATOM 749 N TYR A 53 0.599 -12.249 2.059 1.00 0.00 N ATOM 750 CA TYR A 53 0.311 -11.978 3.464 1.00 0.00 C ATOM 751 C TYR A 53 -0.669 -13.033 3.972 1.00 0.00 C ATOM 752 O TYR A 53 -1.734 -13.229 3.388 1.00 0.00 O ATOM 753 CB TYR A 53 -0.270 -10.568 3.635 1.00 0.00 C ATOM 754 CG TYR A 53 0.423 -9.726 4.692 1.00 0.00 C ATOM 755 CD1 TYR A 53 1.699 -9.209 4.484 1.00 0.00 C ATOM 756 CD2 TYR A 53 -0.209 -9.436 5.895 1.00 0.00 C ATOM 757 CE1 TYR A 53 2.319 -8.431 5.450 1.00 0.00 C ATOM 758 CE2 TYR A 53 0.403 -8.659 6.858 1.00 0.00 C ATOM 759 CZ TYR A 53 1.664 -8.160 6.631 1.00 0.00 C ATOM 760 OH TYR A 53 2.272 -7.383 7.589 1.00 0.00 O ATOM 0 H TYR A 53 -0.118 -11.930 1.407 1.00 0.00 H new ATOM 0 HA TYR A 53 1.232 -12.025 4.044 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -0.214 -10.047 2.679 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -1.326 -10.652 3.891 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.213 -9.417 3.557 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.199 -9.826 6.080 1.00 0.00 H new ATOM 0 HE1 TYR A 53 3.311 -8.039 5.277 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.106 -8.444 7.786 1.00 0.00 H new ATOM 0 HH TYR A 53 1.608 -6.791 8.000 1.00 0.00 H new ATOM 770 N SER A 54 -0.299 -13.722 5.049 1.00 0.00 N ATOM 771 CA SER A 54 -1.156 -14.782 5.623 1.00 0.00 C ATOM 772 C SER A 54 -2.632 -14.343 5.654 1.00 0.00 C ATOM 773 O SER A 54 -3.505 -15.086 5.207 1.00 0.00 O ATOM 774 CB SER A 54 -0.690 -15.117 7.041 1.00 0.00 C ATOM 775 OG SER A 54 0.547 -15.808 7.021 1.00 0.00 O ATOM 0 H SER A 54 0.580 -13.575 5.546 1.00 0.00 H new ATOM 0 HA SER A 54 -1.072 -15.666 4.991 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.588 -14.199 7.620 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.443 -15.727 7.540 1.00 0.00 H new ATOM 0 HG SER A 54 0.824 -16.009 7.939 1.00 0.00 H new ATOM 781 N THR A 55 -2.916 -13.136 6.180 1.00 0.00 N ATOM 782 CA THR A 55 -4.294 -12.646 6.244 1.00 0.00 C ATOM 783 C THR A 55 -4.836 -12.285 4.844 1.00 0.00 C ATOM 784 O THR A 55 -6.035 -12.426 4.606 1.00 0.00 O ATOM 785 CB THR A 55 -4.364 -11.414 7.149 1.00 0.00 C ATOM 786 OG1 THR A 55 -3.185 -11.291 7.926 1.00 0.00 O ATOM 787 CG2 THR A 55 -5.539 -11.439 8.102 1.00 0.00 C ATOM 0 H THR A 55 -2.218 -12.496 6.559 1.00 0.00 H new ATOM 0 HA THR A 55 -4.912 -13.446 6.652 1.00 0.00 H new ATOM 0 HB THR A 55 -4.480 -10.567 6.473 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.250 -10.496 8.496 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.530 -10.537 8.715 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.468 -11.482 7.533 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.467 -12.316 8.746 1.00 0.00 H new ATOM 795 N GLY A 56 -3.977 -11.801 3.909 1.00 0.00 N ATOM 796 CA GLY A 56 -4.496 -11.439 2.584 1.00 0.00 C ATOM 797 C GLY A 56 -3.392 -11.093 1.573 1.00 0.00 C ATOM 798 O GLY A 56 -2.205 -11.143 1.915 1.00 0.00 O ATOM 0 H GLY A 56 -2.976 -11.661 4.045 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.089 -12.267 2.195 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.167 -10.586 2.685 1.00 0.00 H new ATOM 802 N GLN A 57 -3.756 -10.749 0.318 1.00 0.00 N ATOM 803 CA GLN A 57 -2.738 -10.407 -0.687 1.00 0.00 C ATOM 804 C GLN A 57 -2.442 -8.909 -0.649 1.00 0.00 C ATOM 805 O GLN A 57 -3.335 -8.113 -0.381 1.00 0.00 O ATOM 806 CB GLN A 57 -3.211 -10.817 -2.085 1.00 0.00 C ATOM 807 CG GLN A 57 -2.263 -11.773 -2.791 1.00 0.00 C ATOM 808 CD GLN A 57 -2.886 -13.131 -3.050 1.00 0.00 C ATOM 809 OE1 GLN A 57 -3.066 -13.930 -2.131 1.00 0.00 O ATOM 810 NE2 GLN A 57 -3.219 -13.398 -4.308 1.00 0.00 N ATOM 0 H GLN A 57 -4.720 -10.703 -0.012 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.823 -10.952 -0.455 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.192 -11.284 -2.005 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -3.333 -9.922 -2.695 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.951 -11.334 -3.739 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -1.365 -11.899 -2.187 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.051 -12.705 -5.038 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.642 -14.295 -4.544 1.00 0.00 H new ATOM 819 N CYS A 58 -1.189 -8.518 -0.897 1.00 0.00 N ATOM 820 CA CYS A 58 -0.837 -7.096 -0.854 1.00 0.00 C ATOM 821 C CYS A 58 -0.079 -6.623 -2.118 1.00 0.00 C ATOM 822 O CYS A 58 0.218 -7.428 -3.001 1.00 0.00 O ATOM 823 CB CYS A 58 0.001 -6.811 0.389 1.00 0.00 C ATOM 824 SG CYS A 58 -0.990 -6.328 1.833 1.00 0.00 S ATOM 0 H CYS A 58 -0.419 -9.147 -1.124 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.772 -6.537 -0.817 1.00 0.00 H new ATOM 0 HB2 CYS A 58 0.582 -7.699 0.637 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.713 -6.017 0.164 1.00 0.00 H new ATOM 829 N ARG A 59 0.248 -5.306 -2.195 1.00 0.00 N ATOM 830 CA ARG A 59 0.982 -4.738 -3.335 1.00 0.00 C ATOM 831 C ARG A 59 1.796 -3.547 -2.835 1.00 0.00 C ATOM 832 O ARG A 59 1.251 -2.666 -2.177 1.00 0.00 O ATOM 833 CB ARG A 59 0.025 -4.273 -4.441 1.00 0.00 C ATOM 834 CG ARG A 59 -1.155 -5.201 -4.692 1.00 0.00 C ATOM 835 CD ARG A 59 -0.853 -6.207 -5.789 1.00 0.00 C ATOM 836 NE ARG A 59 -0.675 -5.563 -7.087 1.00 0.00 N ATOM 837 CZ ARG A 59 -0.729 -6.211 -8.249 1.00 0.00 C ATOM 838 NH1 ARG A 59 -0.946 -7.519 -8.279 1.00 0.00 N ATOM 839 NH2 ARG A 59 -0.563 -5.548 -9.385 1.00 0.00 N ATOM 0 H ARG A 59 0.010 -4.624 -1.475 1.00 0.00 H new ATOM 0 HA ARG A 59 1.632 -5.505 -3.756 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.356 -3.285 -4.182 1.00 0.00 H new ATOM 0 HB3 ARG A 59 0.588 -4.164 -5.368 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.405 -5.729 -3.772 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.029 -4.612 -4.969 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.049 -6.763 -5.533 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.666 -6.930 -5.852 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.499 -4.558 -7.105 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.073 -8.035 -7.408 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.986 -8.009 -9.173 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.394 -4.542 -9.368 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -0.604 -6.044 -10.276 1.00 0.00 H new ATOM 853 N THR A 60 3.098 -3.535 -3.107 1.00 0.00 N ATOM 854 CA THR A 60 3.958 -2.450 -2.618 1.00 0.00 C ATOM 855 C THR A 60 4.446 -1.503 -3.716 1.00 0.00 C ATOM 856 O THR A 60 4.871 -1.930 -4.790 1.00 0.00 O ATOM 857 CB THR A 60 5.170 -3.045 -1.890 1.00 0.00 C ATOM 858 OG1 THR A 60 4.768 -3.694 -0.698 1.00 0.00 O ATOM 859 CG2 THR A 60 6.223 -2.017 -1.520 1.00 0.00 C ATOM 0 H THR A 60 3.579 -4.249 -3.654 1.00 0.00 H new ATOM 0 HA THR A 60 3.344 -1.854 -1.942 1.00 0.00 H new ATOM 0 HB THR A 60 5.610 -3.748 -2.598 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.554 -4.068 -0.248 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.049 -2.511 -1.009 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.593 -1.533 -2.424 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.784 -1.268 -0.861 1.00 0.00 H new ATOM 867 N THR A 61 4.423 -0.206 -3.396 1.00 0.00 N ATOM 868 CA THR A 61 4.907 0.839 -4.305 1.00 0.00 C ATOM 869 C THR A 61 5.620 1.937 -3.459 1.00 0.00 C ATOM 870 O THR A 61 5.266 2.100 -2.287 1.00 0.00 O ATOM 871 CB THR A 61 3.739 1.428 -5.111 1.00 0.00 C ATOM 872 OG1 THR A 61 3.423 0.579 -6.191 1.00 0.00 O ATOM 873 CG2 THR A 61 4.000 2.806 -5.693 1.00 0.00 C ATOM 0 H THR A 61 4.071 0.148 -2.507 1.00 0.00 H new ATOM 0 HA THR A 61 5.615 0.419 -5.019 1.00 0.00 H new ATOM 0 HB THR A 61 2.925 1.518 -4.392 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.198 0.017 -6.403 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.121 3.140 -6.245 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.211 3.508 -4.886 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.856 2.760 -6.367 1.00 0.00 H new ATOM 881 N CYS A 62 6.612 2.696 -4.001 1.00 0.00 N ATOM 882 CA CYS A 62 7.290 3.712 -3.185 1.00 0.00 C ATOM 883 C CYS A 62 7.906 4.822 -4.035 1.00 0.00 C ATOM 884 O CYS A 62 8.220 4.621 -5.209 1.00 0.00 O ATOM 885 CB CYS A 62 8.400 3.053 -2.363 1.00 0.00 C ATOM 886 SG CYS A 62 7.817 2.152 -0.893 1.00 0.00 S ATOM 0 H CYS A 62 6.942 2.621 -4.963 1.00 0.00 H new ATOM 0 HA CYS A 62 6.537 4.159 -2.536 1.00 0.00 H new ATOM 0 HB2 CYS A 62 8.948 2.362 -3.004 1.00 0.00 H new ATOM 0 HB3 CYS A 62 9.105 3.821 -2.047 1.00 0.00 H new ATOM 891 N ILE A 63 8.098 5.985 -3.411 1.00 0.00 N ATOM 892 CA ILE A 63 8.700 7.142 -4.072 1.00 0.00 C ATOM 893 C ILE A 63 9.200 8.148 -3.038 1.00 0.00 C ATOM 894 O ILE A 63 8.719 8.172 -1.906 1.00 0.00 O ATOM 895 CB ILE A 63 7.704 7.862 -5.004 1.00 0.00 C ATOM 896 CG1 ILE A 63 6.499 8.363 -4.203 1.00 0.00 C ATOM 897 CG2 ILE A 63 7.269 6.946 -6.137 1.00 0.00 C ATOM 898 CD1 ILE A 63 5.482 9.111 -5.039 1.00 0.00 C ATOM 0 H ILE A 63 7.842 6.150 -2.438 1.00 0.00 H new ATOM 0 HA ILE A 63 9.529 6.762 -4.669 1.00 0.00 H new ATOM 0 HB ILE A 63 8.201 8.725 -5.448 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.011 7.512 -3.728 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.851 9.016 -3.404 1.00 0.00 H new ATOM 0 HG21 ILE A 63 6.567 7.474 -6.782 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.141 6.647 -6.718 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.787 6.060 -5.724 1.00 0.00 H new ATOM 0 HD11 ILE A 63 4.657 9.435 -4.404 1.00 0.00 H new ATOM 0 HD12 ILE A 63 5.954 9.982 -5.493 1.00 0.00 H new ATOM 0 HD13 ILE A 63 5.101 8.455 -5.822 1.00 0.00 H new ATOM 910 N PRO A 64 10.169 9.000 -3.412 1.00 0.00 N ATOM 911 CA PRO A 64 10.716 10.010 -2.507 1.00 0.00 C ATOM 912 C PRO A 64 9.795 11.219 -2.367 1.00 0.00 C ATOM 913 O PRO A 64 8.887 11.415 -3.175 1.00 0.00 O ATOM 914 CB PRO A 64 12.023 10.408 -3.189 1.00 0.00 C ATOM 915 CG PRO A 64 11.761 10.210 -4.642 1.00 0.00 C ATOM 916 CD PRO A 64 10.802 9.051 -4.746 1.00 0.00 C ATOM 0 HA PRO A 64 10.843 9.633 -1.492 1.00 0.00 H new ATOM 0 HB2 PRO A 64 12.286 11.443 -2.970 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.853 9.790 -2.848 1.00 0.00 H new ATOM 0 HG2 PRO A 64 11.334 11.109 -5.086 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.686 9.998 -5.178 1.00 0.00 H new ATOM 0 HD2 PRO A 64 10.065 9.210 -5.533 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.321 8.121 -4.979 1.00 0.00 H new ATOM 924 N TYR A 65 10.042 12.032 -1.345 1.00 0.00 N ATOM 925 CA TYR A 65 9.248 13.226 -1.104 1.00 0.00 C ATOM 926 C TYR A 65 9.605 14.302 -2.126 1.00 0.00 C ATOM 927 O TYR A 65 9.918 14.002 -3.277 1.00 0.00 O ATOM 928 CB TYR A 65 9.504 13.732 0.327 1.00 0.00 C ATOM 929 CG TYR A 65 8.854 12.897 1.404 1.00 0.00 C ATOM 930 CD1 TYR A 65 7.660 12.238 1.166 1.00 0.00 C ATOM 931 CD2 TYR A 65 9.432 12.777 2.663 1.00 0.00 C ATOM 932 CE1 TYR A 65 7.055 11.481 2.149 1.00 0.00 C ATOM 933 CE2 TYR A 65 8.833 12.020 3.651 1.00 0.00 C ATOM 934 CZ TYR A 65 7.644 11.375 3.389 1.00 0.00 C ATOM 935 OH TYR A 65 7.038 10.621 4.369 1.00 0.00 O ATOM 0 H TYR A 65 10.790 11.882 -0.668 1.00 0.00 H new ATOM 0 HA TYR A 65 8.189 12.988 -1.210 1.00 0.00 H new ATOM 0 HB2 TYR A 65 10.579 13.760 0.504 1.00 0.00 H new ATOM 0 HB3 TYR A 65 9.141 14.757 0.409 1.00 0.00 H new ATOM 0 HD1 TYR A 65 7.194 12.318 0.195 1.00 0.00 H new ATOM 0 HD2 TYR A 65 10.363 13.283 2.871 1.00 0.00 H new ATOM 0 HE1 TYR A 65 6.123 10.974 1.946 1.00 0.00 H new ATOM 0 HE2 TYR A 65 9.294 11.934 4.624 1.00 0.00 H new ATOM 0 HH TYR A 65 6.466 11.197 4.918 1.00 0.00 H new