USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 840 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 122 GLN : amide:sc= 1.97 K(o=3.1,f=-2.7) USER MOD Set 1.2: A 123 TYR OH : rot 118:sc= 1.18 USER MOD Set 2.1: A 77 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 97 LYS NZ :NH3+ 177:sc= 0.19 (180deg=0.186) USER MOD Set 3.1: A 21 ASN : amide:sc= 1.13 X(o=2.2,f=2) USER MOD Set 3.2: A 25 TYR OH : rot -22:sc= 1.06 USER MOD Single : A 17 LYS NZ :NH3+ -104:sc= 0.101 (180deg=-0.214) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 100:sc= 0.141 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0683) USER MOD Single : A 38 TYR OH : rot 90:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0991) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot -75:sc= 0.0657 USER MOD Single : A 53 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.011) USER MOD Single : A 58 CYS SG : rot -56:sc= -4.44! USER MOD Single : A 65 THR OG1 : rot 77:sc= 1.19 USER MOD Single : A 68 THR OG1 : rot 175:sc= 0.0013 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -153:sc= 0.287 (180deg=0.0789) USER MOD Single : A 84 HIS : no HD1:sc= -6.03! K(o=-6!,f=-3.1) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot -162:sc= 0.926 USER MOD Single : A 94 SER OG : rot -57:sc= 1.24 USER MOD Single : A 100 GLN : amide:sc= 0.969 K(o=0.97,f=-0.0033) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 168:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 180:sc= -0.0367 USER MOD Single : A 115 GLN : amide:sc= -1.79 X(o=-1.8,f=-1.4) USER MOD Single : A 117 ASN : amide:sc= -0.0566 K(o=-0.057,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 62 N GLY A 11 -12.064 5.977 -1.658 1.00 0.00 N ATOM 63 CA GLY A 11 -11.957 4.571 -2.036 1.00 0.00 C ATOM 64 C GLY A 11 -10.583 4.241 -2.603 1.00 0.00 C ATOM 65 O GLY A 11 -10.445 3.286 -3.363 1.00 0.00 O ATOM 0 HA2 GLY A 11 -12.151 3.945 -1.165 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -12.722 4.334 -2.776 1.00 0.00 H new ATOM 69 N LEU A 12 -9.522 5.028 -2.231 1.00 0.00 N ATOM 70 CA LEU A 12 -8.089 4.903 -2.567 1.00 0.00 C ATOM 71 C LEU A 12 -7.328 3.734 -1.985 1.00 0.00 C ATOM 72 O LEU A 12 -7.794 2.958 -1.144 1.00 0.00 O ATOM 73 CB LEU A 12 -7.258 6.221 -2.731 1.00 0.00 C ATOM 74 CG LEU A 12 -6.096 6.711 -1.858 1.00 0.00 C ATOM 75 CD1 LEU A 12 -5.779 8.094 -2.474 1.00 0.00 C ATOM 76 CD2 LEU A 12 -6.666 6.752 -0.430 1.00 0.00 C ATOM 0 H LEU A 12 -9.679 5.838 -1.632 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.219 4.592 -3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.858 6.183 -3.744 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.992 7.026 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.183 6.117 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.954 8.554 -1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.500 7.971 -3.521 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.659 8.733 -2.406 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.895 7.094 0.260 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.513 7.437 -0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.995 5.754 -0.141 1.00 0.00 H new ATOM 88 N ARG A 13 -6.112 3.563 -2.538 1.00 0.00 N ATOM 89 CA ARG A 13 -5.216 2.431 -2.422 1.00 0.00 C ATOM 90 C ARG A 13 -4.301 2.714 -1.262 1.00 0.00 C ATOM 91 O ARG A 13 -3.668 3.765 -1.221 1.00 0.00 O ATOM 92 CB ARG A 13 -4.439 2.241 -3.758 1.00 0.00 C ATOM 93 CG ARG A 13 -5.317 2.251 -5.037 1.00 0.00 C ATOM 94 CD ARG A 13 -5.718 3.611 -5.652 1.00 0.00 C ATOM 95 NE ARG A 13 -4.506 4.491 -5.801 1.00 0.00 N ATOM 96 CZ ARG A 13 -4.587 5.823 -6.115 1.00 0.00 C ATOM 97 NH1 ARG A 13 -5.791 6.409 -6.375 1.00 0.00 N ATOM 98 NH2 ARG A 13 -3.449 6.575 -6.163 1.00 0.00 N ATOM 0 H ARG A 13 -5.709 4.290 -3.129 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.753 1.500 -2.239 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.693 3.031 -3.842 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.898 1.296 -3.715 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.790 1.684 -5.804 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.234 1.707 -4.812 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.185 3.455 -6.624 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.457 4.101 -5.018 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.584 4.078 -5.662 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.647 5.855 -6.337 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.836 7.401 -6.607 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.545 6.145 -5.966 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.502 7.567 -6.396 1.00 0.00 H new ATOM 112 N VAL A 14 -4.278 1.840 -0.228 1.00 0.00 N ATOM 113 CA VAL A 14 -3.667 2.215 1.032 1.00 0.00 C ATOM 114 C VAL A 14 -2.607 1.224 1.504 1.00 0.00 C ATOM 115 O VAL A 14 -2.589 0.046 1.155 1.00 0.00 O ATOM 116 CB VAL A 14 -4.842 2.477 1.998 1.00 0.00 C ATOM 117 CG1 VAL A 14 -4.508 2.472 3.491 1.00 0.00 C ATOM 118 CG2 VAL A 14 -5.591 3.771 1.621 1.00 0.00 C ATOM 0 H VAL A 14 -4.669 0.898 -0.255 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.068 3.122 0.951 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.486 1.608 1.860 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.413 2.667 4.067 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.103 1.499 3.770 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.770 3.246 3.701 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.414 3.931 2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.904 4.616 1.670 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.985 3.682 0.609 1.00 0.00 H new ATOM 128 N VAL A 15 -1.671 1.724 2.344 1.00 0.00 N ATOM 129 CA VAL A 15 -0.540 1.070 2.992 1.00 0.00 C ATOM 130 C VAL A 15 -0.837 1.152 4.439 1.00 0.00 C ATOM 131 O VAL A 15 -1.329 2.178 4.903 1.00 0.00 O ATOM 132 CB VAL A 15 0.792 1.733 2.687 1.00 0.00 C ATOM 133 CG1 VAL A 15 1.178 1.073 1.346 1.00 0.00 C ATOM 134 CG2 VAL A 15 0.598 3.259 2.736 1.00 0.00 C ATOM 0 H VAL A 15 -1.706 2.709 2.605 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.432 0.048 2.630 1.00 0.00 H new ATOM 0 HB VAL A 15 1.618 1.593 3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.136 1.469 1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.259 -0.006 1.481 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.413 1.289 0.601 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.545 3.753 2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.144 3.555 1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.255 3.551 3.729 1.00 0.00 H new ATOM 144 N ALA A 16 -0.586 0.021 5.134 1.00 0.00 N ATOM 145 CA ALA A 16 -0.989 -0.239 6.481 1.00 0.00 C ATOM 146 C ALA A 16 0.220 -0.545 7.322 1.00 0.00 C ATOM 147 O ALA A 16 0.828 -1.605 7.271 1.00 0.00 O ATOM 148 CB ALA A 16 -1.991 -1.419 6.349 1.00 0.00 C ATOM 0 H ALA A 16 -0.069 -0.758 4.725 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.464 0.603 6.985 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.360 -1.695 7.337 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.828 -1.117 5.720 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.488 -2.274 5.897 1.00 0.00 H new ATOM 154 N LYS A 17 0.585 0.424 8.170 1.00 0.00 N ATOM 155 CA LYS A 17 1.750 0.430 9.015 1.00 0.00 C ATOM 156 C LYS A 17 1.362 0.950 10.394 1.00 0.00 C ATOM 157 O LYS A 17 0.888 2.062 10.515 1.00 0.00 O ATOM 158 CB LYS A 17 2.870 1.346 8.394 1.00 0.00 C ATOM 159 CG LYS A 17 2.547 2.264 7.172 1.00 0.00 C ATOM 160 CD LYS A 17 2.924 3.730 7.462 1.00 0.00 C ATOM 161 CE LYS A 17 4.405 4.078 7.282 1.00 0.00 C ATOM 162 NZ LYS A 17 4.679 5.486 7.656 1.00 0.00 N ATOM 0 H LYS A 17 0.028 1.272 8.279 1.00 0.00 H new ATOM 0 HA LYS A 17 2.139 -0.585 9.100 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.241 1.989 9.192 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.694 0.695 8.100 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.091 1.912 6.296 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.485 2.199 6.935 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.335 4.374 6.809 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.635 3.965 8.486 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.014 3.412 7.894 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.696 3.912 6.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.800 6.057 6.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.882 5.859 8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.548 5.531 8.226 1.00 0.00 H new ATOM 176 N TRP A 18 1.546 0.197 11.493 1.00 0.00 N ATOM 177 CA TRP A 18 1.354 0.674 12.863 1.00 0.00 C ATOM 178 C TRP A 18 2.626 1.235 13.536 1.00 0.00 C ATOM 179 O TRP A 18 2.852 2.442 13.604 1.00 0.00 O ATOM 180 CB TRP A 18 0.544 -0.337 13.707 1.00 0.00 C ATOM 181 CG TRP A 18 -0.813 -0.645 13.099 1.00 0.00 C ATOM 182 CD1 TRP A 18 -1.277 -1.683 12.334 1.00 0.00 C ATOM 183 CD2 TRP A 18 -1.928 0.209 13.347 1.00 0.00 C ATOM 184 NE1 TRP A 18 -2.636 -1.542 12.123 1.00 0.00 N ATOM 185 CE2 TRP A 18 -3.048 -0.395 12.773 1.00 0.00 C ATOM 186 CE3 TRP A 18 -2.006 1.389 14.025 1.00 0.00 C ATOM 187 CZ2 TRP A 18 -4.284 0.160 12.914 1.00 0.00 C ATOM 188 CZ3 TRP A 18 -3.261 1.881 14.256 1.00 0.00 C ATOM 189 CH2 TRP A 18 -4.380 1.275 13.719 1.00 0.00 C ATOM 0 H TRP A 18 1.838 -0.779 11.446 1.00 0.00 H new ATOM 0 HA TRP A 18 0.731 1.566 12.797 1.00 0.00 H new ATOM 0 HB2 TRP A 18 1.113 -1.262 13.806 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.406 0.061 14.712 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -0.671 -2.491 11.952 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.229 -2.173 11.583 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.122 1.909 14.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.149 -0.255 12.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.379 2.761 14.871 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -5.355 1.685 13.935 1.00 0.00 H new ATOM 200 N SER A 19 3.499 0.352 14.081 1.00 0.00 N ATOM 201 CA SER A 19 4.717 0.697 14.810 1.00 0.00 C ATOM 202 C SER A 19 5.909 0.361 13.930 1.00 0.00 C ATOM 203 O SER A 19 5.817 -0.530 13.082 1.00 0.00 O ATOM 204 CB SER A 19 4.788 -0.056 16.172 1.00 0.00 C ATOM 205 OG SER A 19 3.611 0.191 16.947 1.00 0.00 O ATOM 0 H SER A 19 3.357 -0.656 14.015 1.00 0.00 H new ATOM 0 HA SER A 19 4.721 1.762 15.041 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.896 -1.126 15.997 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.669 0.267 16.726 1.00 0.00 H new ATOM 0 HG SER A 19 3.672 -0.291 17.798 1.00 0.00 H new ATOM 211 N SER A 20 7.076 1.070 14.062 1.00 0.00 N ATOM 212 CA SER A 20 8.236 0.857 13.169 1.00 0.00 C ATOM 213 C SER A 20 8.901 -0.523 13.264 1.00 0.00 C ATOM 214 O SER A 20 9.531 -0.894 14.247 1.00 0.00 O ATOM 215 CB SER A 20 9.309 1.956 13.369 1.00 0.00 C ATOM 216 OG SER A 20 8.696 3.227 13.161 1.00 0.00 O ATOM 0 H SER A 20 7.225 1.784 14.775 1.00 0.00 H new ATOM 0 HA SER A 20 7.806 0.914 12.169 1.00 0.00 H new ATOM 0 HB2 SER A 20 9.729 1.897 14.373 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.133 1.813 12.670 1.00 0.00 H new ATOM 0 HG SER A 20 9.362 3.935 13.286 1.00 0.00 H new ATOM 222 N ASN A 21 8.676 -1.296 12.174 1.00 0.00 N ATOM 223 CA ASN A 21 8.936 -2.717 12.006 1.00 0.00 C ATOM 224 C ASN A 21 9.829 -2.998 10.835 1.00 0.00 C ATOM 225 O ASN A 21 10.265 -4.117 10.586 1.00 0.00 O ATOM 226 CB ASN A 21 7.490 -3.307 11.774 1.00 0.00 C ATOM 227 CG ASN A 21 7.287 -4.794 11.424 1.00 0.00 C ATOM 228 OD1 ASN A 21 6.655 -5.100 10.405 1.00 0.00 O ATOM 229 ND2 ASN A 21 7.775 -5.718 12.284 1.00 0.00 N ATOM 0 H ASN A 21 8.274 -0.892 11.328 1.00 0.00 H new ATOM 0 HA ASN A 21 9.459 -3.153 12.857 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.916 -3.111 12.680 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.032 -2.725 10.974 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.627 -6.711 12.104 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.291 -5.421 13.113 1.00 0.00 H new ATOM 236 N GLY A 22 10.039 -1.940 10.050 1.00 0.00 N ATOM 237 CA GLY A 22 10.719 -1.914 8.785 1.00 0.00 C ATOM 238 C GLY A 22 9.811 -2.008 7.601 1.00 0.00 C ATOM 239 O GLY A 22 10.242 -1.607 6.533 1.00 0.00 O ATOM 0 H GLY A 22 9.706 -1.014 10.317 1.00 0.00 H new ATOM 0 HA2 GLY A 22 11.296 -0.992 8.714 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.430 -2.739 8.750 1.00 0.00 H new ATOM 243 N TYR A 23 8.547 -2.494 7.715 1.00 0.00 N ATOM 244 CA TYR A 23 7.580 -2.539 6.616 1.00 0.00 C ATOM 245 C TYR A 23 6.143 -2.156 6.878 1.00 0.00 C ATOM 246 O TYR A 23 5.653 -2.126 8.009 1.00 0.00 O ATOM 247 CB TYR A 23 7.757 -3.716 5.628 1.00 0.00 C ATOM 248 CG TYR A 23 8.007 -5.036 6.286 1.00 0.00 C ATOM 249 CD1 TYR A 23 9.241 -5.369 6.815 1.00 0.00 C ATOM 250 CD2 TYR A 23 6.995 -5.972 6.309 1.00 0.00 C ATOM 251 CE1 TYR A 23 9.442 -6.590 7.416 1.00 0.00 C ATOM 252 CE2 TYR A 23 7.222 -7.227 6.838 1.00 0.00 C ATOM 253 CZ TYR A 23 8.433 -7.527 7.422 1.00 0.00 C ATOM 254 OH TYR A 23 8.675 -8.789 7.992 1.00 0.00 O ATOM 0 H TYR A 23 8.178 -2.868 8.590 1.00 0.00 H new ATOM 0 HA TYR A 23 7.911 -1.648 6.083 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.863 -3.794 5.010 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.588 -3.493 4.959 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.056 -4.663 6.756 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.022 -5.723 5.912 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.390 -6.813 7.883 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.446 -7.977 6.794 1.00 0.00 H new ATOM 0 HH TYR A 23 7.868 -9.340 7.922 1.00 0.00 H new ATOM 264 N PHE A 24 5.412 -1.901 5.747 1.00 0.00 N ATOM 265 CA PHE A 24 3.990 -1.623 5.659 1.00 0.00 C ATOM 266 C PHE A 24 3.406 -2.772 4.883 1.00 0.00 C ATOM 267 O PHE A 24 3.964 -3.233 3.889 1.00 0.00 O ATOM 268 CB PHE A 24 3.497 -0.288 4.970 1.00 0.00 C ATOM 269 CG PHE A 24 4.522 0.816 4.840 1.00 0.00 C ATOM 270 CD1 PHE A 24 5.382 1.020 5.899 1.00 0.00 C ATOM 271 CD2 PHE A 24 4.553 1.769 3.814 1.00 0.00 C ATOM 272 CE1 PHE A 24 6.416 1.898 5.840 1.00 0.00 C ATOM 273 CE2 PHE A 24 5.569 2.691 3.795 1.00 0.00 C ATOM 274 CZ PHE A 24 6.559 2.692 4.750 1.00 0.00 C ATOM 0 H PHE A 24 5.855 -1.890 4.828 1.00 0.00 H new ATOM 0 HA PHE A 24 3.666 -1.494 6.692 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.129 -0.533 3.974 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.649 0.097 5.537 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.227 0.460 6.809 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.790 1.778 3.050 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.120 1.964 6.656 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.592 3.434 3.011 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.434 3.314 4.634 1.00 0.00 H new ATOM 284 N TYR A 25 2.218 -3.161 5.352 1.00 0.00 N ATOM 285 CA TYR A 25 1.255 -4.126 4.923 1.00 0.00 C ATOM 286 C TYR A 25 0.269 -3.333 4.065 1.00 0.00 C ATOM 287 O TYR A 25 0.480 -2.173 3.734 1.00 0.00 O ATOM 288 CB TYR A 25 0.633 -4.823 6.182 1.00 0.00 C ATOM 289 CG TYR A 25 1.759 -5.390 7.046 1.00 0.00 C ATOM 290 CD1 TYR A 25 2.383 -4.621 8.023 1.00 0.00 C ATOM 291 CD2 TYR A 25 2.251 -6.667 6.829 1.00 0.00 C ATOM 292 CE1 TYR A 25 3.520 -5.066 8.676 1.00 0.00 C ATOM 293 CE2 TYR A 25 3.359 -7.134 7.516 1.00 0.00 C ATOM 294 CZ TYR A 25 4.020 -6.323 8.415 1.00 0.00 C ATOM 295 OH TYR A 25 5.195 -6.792 9.048 1.00 0.00 O ATOM 0 H TYR A 25 1.870 -2.707 6.197 1.00 0.00 H new ATOM 0 HA TYR A 25 1.658 -4.947 4.329 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.043 -4.108 6.755 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.043 -5.621 5.875 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.971 -3.656 8.278 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.762 -7.309 6.112 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.016 -4.427 9.391 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.709 -8.142 7.346 1.00 0.00 H new ATOM 0 HH TYR A 25 5.724 -6.029 9.363 1.00 0.00 H new ATOM 305 N SER A 26 -0.806 -3.951 3.597 1.00 0.00 N ATOM 306 CA SER A 26 -1.841 -3.405 2.749 1.00 0.00 C ATOM 307 C SER A 26 -3.203 -3.080 3.404 1.00 0.00 C ATOM 308 O SER A 26 -3.686 -3.837 4.243 1.00 0.00 O ATOM 309 CB SER A 26 -2.047 -4.477 1.682 1.00 0.00 C ATOM 310 OG SER A 26 -2.492 -5.731 2.221 1.00 0.00 O ATOM 0 H SER A 26 -0.986 -4.929 3.823 1.00 0.00 H new ATOM 0 HA SER A 26 -1.505 -2.429 2.399 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.777 -4.122 0.955 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.111 -4.631 1.145 1.00 0.00 H new ATOM 0 HG SER A 26 -3.460 -5.816 2.095 1.00 0.00 H new ATOM 316 N GLY A 27 -3.832 -1.944 2.997 1.00 0.00 N ATOM 317 CA GLY A 27 -5.068 -1.344 3.515 1.00 0.00 C ATOM 318 C GLY A 27 -5.954 -0.813 2.398 1.00 0.00 C ATOM 319 O GLY A 27 -5.452 -0.672 1.284 1.00 0.00 O ATOM 0 H GLY A 27 -3.446 -1.387 2.234 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.618 -2.087 4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.819 -0.532 4.197 1.00 0.00 H new ATOM 323 N LYS A 28 -7.276 -0.469 2.613 1.00 0.00 N ATOM 324 CA LYS A 28 -8.017 0.336 1.622 1.00 0.00 C ATOM 325 C LYS A 28 -8.610 1.488 2.436 1.00 0.00 C ATOM 326 O LYS A 28 -8.642 1.403 3.664 1.00 0.00 O ATOM 327 CB LYS A 28 -9.175 -0.380 0.874 1.00 0.00 C ATOM 328 CG LYS A 28 -8.821 -1.720 0.220 1.00 0.00 C ATOM 329 CD LYS A 28 -10.014 -2.316 -0.551 1.00 0.00 C ATOM 330 CE LYS A 28 -11.212 -2.698 0.335 1.00 0.00 C ATOM 331 NZ LYS A 28 -12.254 -3.395 -0.456 1.00 0.00 N ATOM 0 H LYS A 28 -7.814 -0.735 3.438 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.323 0.614 0.829 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.990 -0.546 1.579 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.553 0.291 0.102 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.982 -1.581 -0.461 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.496 -2.424 0.987 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.345 -1.595 -1.299 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.678 -3.202 -1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.877 -3.341 1.149 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -11.634 -1.802 0.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -13.052 -3.643 0.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.588 -2.770 -1.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.854 -4.262 -0.869 1.00 0.00 H new ATOM 345 N ILE A 29 -9.136 2.585 1.820 1.00 0.00 N ATOM 346 CA ILE A 29 -9.828 3.645 2.585 1.00 0.00 C ATOM 347 C ILE A 29 -11.346 3.518 2.395 1.00 0.00 C ATOM 348 O ILE A 29 -11.811 3.016 1.375 1.00 0.00 O ATOM 349 CB ILE A 29 -9.283 5.052 2.312 1.00 0.00 C ATOM 350 CG1 ILE A 29 -9.940 6.196 3.127 1.00 0.00 C ATOM 351 CG2 ILE A 29 -9.327 5.293 0.810 1.00 0.00 C ATOM 352 CD1 ILE A 29 -9.312 7.565 2.890 1.00 0.00 C ATOM 0 H ILE A 29 -9.092 2.750 0.814 1.00 0.00 H new ATOM 0 HA ILE A 29 -9.614 3.492 3.643 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.255 5.079 2.673 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.000 6.245 2.876 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -9.875 5.956 4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.944 6.289 0.590 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.713 4.548 0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.356 5.214 0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.827 8.311 3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.259 7.535 3.169 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.401 7.829 1.836 1.00 0.00 H new ATOM 364 N THR A 30 -12.154 4.001 3.380 1.00 0.00 N ATOM 365 CA THR A 30 -13.620 4.042 3.345 1.00 0.00 C ATOM 366 C THR A 30 -14.106 5.486 3.317 1.00 0.00 C ATOM 367 O THR A 30 -14.996 5.817 2.534 1.00 0.00 O ATOM 368 CB THR A 30 -14.282 3.251 4.480 1.00 0.00 C ATOM 369 OG1 THR A 30 -13.930 1.879 4.371 1.00 0.00 O ATOM 370 CG2 THR A 30 -15.822 3.284 4.415 1.00 0.00 C ATOM 0 H THR A 30 -11.775 4.383 4.246 1.00 0.00 H new ATOM 0 HA THR A 30 -13.927 3.544 2.425 1.00 0.00 H new ATOM 0 HB THR A 30 -13.938 3.713 5.405 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.352 1.374 5.097 1.00 0.00 H new ATOM 0 HG21 THR A 30 -16.234 2.707 5.243 1.00 0.00 H new ATOM 0 HG22 THR A 30 -16.167 4.316 4.484 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.156 2.852 3.471 1.00 0.00 H new ATOM 378 N ARG A 31 -13.543 6.403 4.161 1.00 0.00 N ATOM 379 CA ARG A 31 -13.931 7.811 4.211 1.00 0.00 C ATOM 380 C ARG A 31 -12.678 8.545 4.654 1.00 0.00 C ATOM 381 O ARG A 31 -11.797 7.947 5.255 1.00 0.00 O ATOM 382 CB ARG A 31 -15.049 8.127 5.257 1.00 0.00 C ATOM 383 CG ARG A 31 -16.430 7.496 4.998 1.00 0.00 C ATOM 384 CD ARG A 31 -17.379 7.754 6.177 1.00 0.00 C ATOM 385 NE ARG A 31 -18.678 7.043 5.912 1.00 0.00 N ATOM 386 CZ ARG A 31 -19.651 6.883 6.862 1.00 0.00 C ATOM 387 NH1 ARG A 31 -19.481 7.361 8.129 1.00 0.00 N ATOM 388 NH2 ARG A 31 -20.808 6.235 6.535 1.00 0.00 N ATOM 0 H ARG A 31 -12.804 6.164 4.822 1.00 0.00 H new ATOM 0 HA ARG A 31 -14.326 8.103 3.238 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.702 7.799 6.237 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -15.172 9.209 5.308 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -16.858 7.909 4.084 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -16.321 6.423 4.842 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -16.935 7.396 7.106 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -17.551 8.824 6.297 1.00 0.00 H new ATOM 0 HE ARG A 31 -18.842 6.662 4.980 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -18.619 7.846 8.380 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -20.216 7.234 8.825 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -20.941 5.875 5.590 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -21.539 6.111 7.236 1.00 0.00 H new ATOM 402 N ASP A 32 -12.532 9.876 4.459 1.00 0.00 N ATOM 403 CA ASP A 32 -11.409 10.635 5.053 1.00 0.00 C ATOM 404 C ASP A 32 -11.800 11.163 6.450 1.00 0.00 C ATOM 405 O ASP A 32 -12.946 11.567 6.637 1.00 0.00 O ATOM 406 CB ASP A 32 -10.871 11.775 4.126 1.00 0.00 C ATOM 407 CG ASP A 32 -11.904 12.851 3.749 1.00 0.00 C ATOM 408 OD1 ASP A 32 -12.881 12.521 3.025 1.00 0.00 O ATOM 409 OD2 ASP A 32 -11.718 14.020 4.182 1.00 0.00 O ATOM 0 H ASP A 32 -13.171 10.441 3.900 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.576 9.940 5.164 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.030 12.259 4.622 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.486 11.326 3.210 1.00 0.00 H new ATOM 414 N VAL A 33 -10.885 11.180 7.464 1.00 0.00 N ATOM 415 CA VAL A 33 -11.184 11.746 8.786 1.00 0.00 C ATOM 416 C VAL A 33 -10.320 12.995 8.850 1.00 0.00 C ATOM 417 O VAL A 33 -9.114 12.925 8.678 1.00 0.00 O ATOM 418 CB VAL A 33 -11.074 10.808 10.034 1.00 0.00 C ATOM 419 CG1 VAL A 33 -12.510 10.330 10.352 1.00 0.00 C ATOM 420 CG2 VAL A 33 -10.126 9.582 9.920 1.00 0.00 C ATOM 0 H VAL A 33 -9.940 10.805 7.377 1.00 0.00 H new ATOM 0 HA VAL A 33 -12.251 11.953 8.863 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.612 11.400 10.824 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.490 9.669 11.219 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.141 11.192 10.567 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.912 9.791 9.494 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -10.145 9.019 10.853 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.457 8.941 9.103 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -9.110 9.925 9.724 1.00 0.00 H new ATOM 430 N GLY A 34 -10.954 14.179 9.057 1.00 0.00 N ATOM 431 CA GLY A 34 -10.442 15.569 9.097 1.00 0.00 C ATOM 432 C GLY A 34 -9.195 15.987 8.321 1.00 0.00 C ATOM 433 O GLY A 34 -9.095 15.836 7.106 1.00 0.00 O ATOM 0 H GLY A 34 -11.961 14.177 9.220 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.254 16.214 8.762 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.257 15.807 10.144 1.00 0.00 H new ATOM 437 N ALA A 35 -8.209 16.563 9.048 1.00 0.00 N ATOM 438 CA ALA A 35 -6.872 16.899 8.591 1.00 0.00 C ATOM 439 C ALA A 35 -5.907 15.905 9.188 1.00 0.00 C ATOM 440 O ALA A 35 -5.825 15.768 10.408 1.00 0.00 O ATOM 441 CB ALA A 35 -6.507 18.347 8.989 1.00 0.00 C ATOM 0 H ALA A 35 -8.351 16.814 10.026 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.822 16.847 7.503 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.502 18.579 8.637 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.218 19.039 8.537 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.544 18.446 10.074 1.00 0.00 H new ATOM 447 N GLY A 36 -5.137 15.206 8.318 1.00 0.00 N ATOM 448 CA GLY A 36 -4.077 14.283 8.697 1.00 0.00 C ATOM 449 C GLY A 36 -4.501 12.862 8.916 1.00 0.00 C ATOM 450 O GLY A 36 -3.649 12.041 9.235 1.00 0.00 O ATOM 0 H GLY A 36 -5.252 15.282 7.307 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.312 14.299 7.921 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.611 14.649 9.612 1.00 0.00 H new ATOM 454 N LYS A 37 -5.806 12.522 8.784 1.00 0.00 N ATOM 455 CA LYS A 37 -6.299 11.184 9.070 1.00 0.00 C ATOM 456 C LYS A 37 -7.138 10.605 7.927 1.00 0.00 C ATOM 457 O LYS A 37 -7.561 11.280 6.987 1.00 0.00 O ATOM 458 CB LYS A 37 -6.924 11.100 10.512 1.00 0.00 C ATOM 459 CG LYS A 37 -7.250 12.424 11.227 1.00 0.00 C ATOM 460 CD LYS A 37 -8.084 12.191 12.494 1.00 0.00 C ATOM 461 CE LYS A 37 -8.502 13.482 13.212 1.00 0.00 C ATOM 462 NZ LYS A 37 -9.397 14.307 12.368 1.00 0.00 N ATOM 0 H LYS A 37 -6.529 13.173 8.478 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.451 10.500 9.107 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.844 10.519 10.446 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.236 10.538 11.144 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.323 12.934 11.489 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.794 13.081 10.548 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.979 11.628 12.229 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.511 11.572 13.185 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.007 13.233 14.145 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.614 14.058 13.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.768 15.101 12.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.864 14.677 11.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.188 13.724 12.027 1.00 0.00 H new ATOM 476 N TYR A 38 -7.385 9.262 8.000 1.00 0.00 N ATOM 477 CA TYR A 38 -8.143 8.423 7.076 1.00 0.00 C ATOM 478 C TYR A 38 -8.965 7.405 7.900 1.00 0.00 C ATOM 479 O TYR A 38 -8.526 6.978 8.973 1.00 0.00 O ATOM 480 CB TYR A 38 -7.174 7.723 6.080 1.00 0.00 C ATOM 481 CG TYR A 38 -6.376 8.766 5.315 1.00 0.00 C ATOM 482 CD1 TYR A 38 -7.004 9.637 4.446 1.00 0.00 C ATOM 483 CD2 TYR A 38 -5.027 8.962 5.566 1.00 0.00 C ATOM 484 CE1 TYR A 38 -6.316 10.675 3.852 1.00 0.00 C ATOM 485 CE2 TYR A 38 -4.294 9.934 4.893 1.00 0.00 C ATOM 486 CZ TYR A 38 -4.963 10.833 4.068 1.00 0.00 C ATOM 487 OH TYR A 38 -4.308 11.938 3.465 1.00 0.00 O ATOM 0 H TYR A 38 -7.020 8.713 8.778 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.832 9.025 6.483 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -6.498 7.061 6.621 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -7.739 7.103 5.384 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.053 9.503 4.227 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.533 8.345 6.302 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.841 11.369 3.213 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.222 9.990 5.009 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.337 12.707 4.072 1.00 0.00 H new ATOM 497 N LYS A 39 -10.216 7.034 7.447 1.00 0.00 N ATOM 498 CA LYS A 39 -11.211 6.111 8.033 1.00 0.00 C ATOM 499 C LYS A 39 -11.197 5.060 6.992 1.00 0.00 C ATOM 500 O LYS A 39 -11.548 5.225 5.819 1.00 0.00 O ATOM 501 CB LYS A 39 -12.617 6.752 8.215 1.00 0.00 C ATOM 502 CG LYS A 39 -13.857 5.845 8.034 1.00 0.00 C ATOM 503 CD LYS A 39 -14.043 4.695 9.035 1.00 0.00 C ATOM 504 CE LYS A 39 -15.179 3.755 8.596 1.00 0.00 C ATOM 505 NZ LYS A 39 -16.466 4.475 8.438 1.00 0.00 N ATOM 0 H LYS A 39 -10.569 7.424 6.573 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.983 5.776 9.045 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.661 7.182 9.216 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.701 7.578 7.509 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.745 6.476 8.077 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.818 5.417 7.032 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -13.114 4.131 9.122 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.264 5.101 10.022 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.912 3.279 7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.296 2.960 9.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.233 3.788 8.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.659 5.032 9.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.410 5.111 7.617 1.00 0.00 H new ATOM 519 N LEU A 40 -10.594 3.953 7.419 1.00 0.00 N ATOM 520 CA LEU A 40 -10.064 3.012 6.473 1.00 0.00 C ATOM 521 C LEU A 40 -10.405 1.598 6.753 1.00 0.00 C ATOM 522 O LEU A 40 -10.575 1.183 7.891 1.00 0.00 O ATOM 523 CB LEU A 40 -8.548 3.321 6.401 1.00 0.00 C ATOM 524 CG LEU A 40 -7.692 2.898 7.624 1.00 0.00 C ATOM 525 CD1 LEU A 40 -8.288 3.048 9.027 1.00 0.00 C ATOM 526 CD2 LEU A 40 -7.178 1.466 7.411 1.00 0.00 C ATOM 0 H LEU A 40 -10.468 3.700 8.399 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.527 3.134 5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.142 2.831 5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.426 4.394 6.255 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.892 3.639 7.638 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.564 2.709 9.768 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.531 4.095 9.209 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.194 2.447 9.104 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.576 1.164 8.268 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.025 0.788 7.305 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.568 1.429 6.508 1.00 0.00 H new ATOM 538 N LEU A 41 -10.562 0.762 5.720 1.00 0.00 N ATOM 539 CA LEU A 41 -10.806 -0.632 5.942 1.00 0.00 C ATOM 540 C LEU A 41 -9.858 -1.395 5.092 1.00 0.00 C ATOM 541 O LEU A 41 -9.808 -1.163 3.897 1.00 0.00 O ATOM 542 CB LEU A 41 -12.318 -0.802 5.884 1.00 0.00 C ATOM 543 CG LEU A 41 -12.877 -2.213 6.130 1.00 0.00 C ATOM 544 CD1 LEU A 41 -14.367 -2.154 6.513 1.00 0.00 C ATOM 545 CD2 LEU A 41 -12.808 -3.101 4.881 1.00 0.00 C ATOM 0 H LEU A 41 -10.522 1.041 4.740 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.573 -1.072 6.912 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -12.762 -0.130 6.619 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.658 -0.471 4.903 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.262 -2.628 6.928 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -14.740 -3.164 6.682 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.486 -1.567 7.423 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.932 -1.689 5.705 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.216 -4.085 5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -13.389 -2.646 4.079 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.770 -3.203 4.564 1.00 0.00 H new ATOM 557 N PHE A 42 -9.063 -2.350 5.623 1.00 0.00 N ATOM 558 CA PHE A 42 -8.086 -3.146 4.849 1.00 0.00 C ATOM 559 C PHE A 42 -8.739 -4.070 3.811 1.00 0.00 C ATOM 560 O PHE A 42 -9.859 -4.517 4.016 1.00 0.00 O ATOM 561 CB PHE A 42 -7.132 -4.057 5.707 1.00 0.00 C ATOM 562 CG PHE A 42 -6.225 -3.404 6.737 1.00 0.00 C ATOM 563 CD1 PHE A 42 -6.389 -2.148 7.309 1.00 0.00 C ATOM 564 CD2 PHE A 42 -5.180 -4.184 7.208 1.00 0.00 C ATOM 565 CE1 PHE A 42 -5.574 -1.728 8.341 1.00 0.00 C ATOM 566 CE2 PHE A 42 -4.341 -3.754 8.214 1.00 0.00 C ATOM 567 CZ PHE A 42 -4.547 -2.524 8.792 1.00 0.00 C ATOM 0 H PHE A 42 -9.082 -2.592 6.614 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.500 -2.362 4.370 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.753 -4.785 6.229 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.499 -4.614 5.016 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.164 -1.492 6.941 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -5.018 -5.159 6.773 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.745 -0.765 8.799 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.526 -4.380 8.546 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.908 -2.185 9.594 1.00 0.00 H new ATOM 577 N ASP A 43 -8.049 -4.456 2.698 1.00 0.00 N ATOM 578 CA ASP A 43 -8.525 -5.378 1.628 1.00 0.00 C ATOM 579 C ASP A 43 -8.859 -6.824 2.057 1.00 0.00 C ATOM 580 O ASP A 43 -9.333 -7.663 1.292 1.00 0.00 O ATOM 581 CB ASP A 43 -7.586 -5.370 0.376 1.00 0.00 C ATOM 582 CG ASP A 43 -6.156 -5.859 0.650 1.00 0.00 C ATOM 583 OD1 ASP A 43 -5.438 -5.200 1.445 1.00 0.00 O ATOM 584 OD2 ASP A 43 -5.768 -6.895 0.048 1.00 0.00 O ATOM 0 H ASP A 43 -7.104 -4.117 2.516 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.490 -4.949 1.359 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.029 -5.996 -0.399 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -7.540 -4.356 -0.022 1.00 0.00 H new ATOM 589 N ASP A 44 -8.620 -7.076 3.358 1.00 0.00 N ATOM 590 CA ASP A 44 -8.858 -8.261 4.136 1.00 0.00 C ATOM 591 C ASP A 44 -9.929 -8.020 5.226 1.00 0.00 C ATOM 592 O ASP A 44 -10.337 -8.968 5.890 1.00 0.00 O ATOM 593 CB ASP A 44 -7.483 -8.804 4.646 1.00 0.00 C ATOM 594 CG ASP A 44 -6.692 -7.808 5.511 1.00 0.00 C ATOM 595 OD1 ASP A 44 -7.083 -7.587 6.688 1.00 0.00 O ATOM 596 OD2 ASP A 44 -5.676 -7.265 4.998 1.00 0.00 O ATOM 0 H ASP A 44 -8.204 -6.350 3.941 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.297 -9.050 3.526 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.656 -9.712 5.224 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -6.874 -9.084 3.786 1.00 0.00 H new ATOM 601 N GLY A 45 -10.460 -6.760 5.414 1.00 0.00 N ATOM 602 CA GLY A 45 -11.613 -6.453 6.263 1.00 0.00 C ATOM 603 C GLY A 45 -11.354 -5.934 7.648 1.00 0.00 C ATOM 604 O GLY A 45 -12.225 -6.052 8.504 1.00 0.00 O ATOM 0 H GLY A 45 -10.072 -5.933 4.960 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.225 -5.718 5.741 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.211 -7.360 6.353 1.00 0.00 H new ATOM 608 N TYR A 46 -10.176 -5.319 7.934 1.00 0.00 N ATOM 609 CA TYR A 46 -9.889 -4.735 9.244 1.00 0.00 C ATOM 610 C TYR A 46 -10.065 -3.222 9.136 1.00 0.00 C ATOM 611 O TYR A 46 -9.302 -2.517 8.477 1.00 0.00 O ATOM 612 CB TYR A 46 -8.496 -5.162 9.829 1.00 0.00 C ATOM 613 CG TYR A 46 -8.267 -4.577 11.214 1.00 0.00 C ATOM 614 CD1 TYR A 46 -8.998 -5.011 12.310 1.00 0.00 C ATOM 615 CD2 TYR A 46 -7.458 -3.464 11.356 1.00 0.00 C ATOM 616 CE1 TYR A 46 -8.953 -4.314 13.506 1.00 0.00 C ATOM 617 CE2 TYR A 46 -7.432 -2.754 12.540 1.00 0.00 C ATOM 618 CZ TYR A 46 -8.190 -3.170 13.611 1.00 0.00 C ATOM 619 OH TYR A 46 -8.232 -2.382 14.782 1.00 0.00 O ATOM 0 H TYR A 46 -9.415 -5.222 7.262 1.00 0.00 H new ATOM 0 HA TYR A 46 -10.597 -5.128 9.974 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.440 -6.249 9.879 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -7.703 -4.832 9.158 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.607 -5.899 12.230 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.839 -3.146 10.530 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.516 -4.667 14.357 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -6.816 -1.871 12.626 1.00 0.00 H new ATOM 0 HH TYR A 46 -7.631 -1.615 14.682 1.00 0.00 H new ATOM 629 N GLU A 47 -11.096 -2.677 9.828 1.00 0.00 N ATOM 630 CA GLU A 47 -11.388 -1.252 9.888 1.00 0.00 C ATOM 631 C GLU A 47 -10.971 -0.604 11.194 1.00 0.00 C ATOM 632 O GLU A 47 -10.940 -1.216 12.264 1.00 0.00 O ATOM 633 CB GLU A 47 -12.892 -0.950 9.663 1.00 0.00 C ATOM 634 CG GLU A 47 -13.272 0.541 9.429 1.00 0.00 C ATOM 635 CD GLU A 47 -14.068 1.064 10.629 1.00 0.00 C ATOM 636 OE1 GLU A 47 -15.158 0.493 10.904 1.00 0.00 O ATOM 637 OE2 GLU A 47 -13.613 2.044 11.275 1.00 0.00 O ATOM 0 H GLU A 47 -11.753 -3.242 10.366 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.795 -0.825 9.079 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.231 -1.528 8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.446 -1.312 10.529 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.371 1.139 9.289 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.863 0.637 8.518 1.00 0.00 H new ATOM 644 N CYS A 48 -10.679 0.715 11.080 1.00 0.00 N ATOM 645 CA CYS A 48 -10.291 1.561 12.200 1.00 0.00 C ATOM 646 C CYS A 48 -10.422 2.968 11.665 1.00 0.00 C ATOM 647 O CYS A 48 -10.754 3.150 10.497 1.00 0.00 O ATOM 648 CB CYS A 48 -8.840 1.280 12.725 1.00 0.00 C ATOM 649 SG CYS A 48 -8.520 1.857 14.437 1.00 0.00 S ATOM 0 H CYS A 48 -10.711 1.213 10.190 1.00 0.00 H new ATOM 0 HA CYS A 48 -10.921 1.372 13.069 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -8.652 0.207 12.676 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -8.126 1.760 12.055 1.00 0.00 H new ATOM 0 HG CYS A 48 -8.386 3.150 14.441 1.00 0.00 H new ATOM 655 N ASP A 49 -10.143 4.018 12.470 1.00 0.00 N ATOM 656 CA ASP A 49 -9.935 5.365 11.946 1.00 0.00 C ATOM 657 C ASP A 49 -8.558 5.649 12.505 1.00 0.00 C ATOM 658 O ASP A 49 -8.292 5.271 13.651 1.00 0.00 O ATOM 659 CB ASP A 49 -10.822 6.526 12.496 1.00 0.00 C ATOM 660 CG ASP A 49 -12.315 6.188 12.471 1.00 0.00 C ATOM 661 OD1 ASP A 49 -12.741 5.282 13.236 1.00 0.00 O ATOM 662 OD2 ASP A 49 -13.057 6.857 11.702 1.00 0.00 O ATOM 0 H ASP A 49 -10.059 3.947 13.484 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.133 5.356 10.874 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.522 6.755 13.519 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.647 7.424 11.904 1.00 0.00 H new ATOM 667 N VAL A 50 -7.649 6.277 11.734 1.00 0.00 N ATOM 668 CA VAL A 50 -6.283 6.523 12.171 1.00 0.00 C ATOM 669 C VAL A 50 -5.734 7.791 11.591 1.00 0.00 C ATOM 670 O VAL A 50 -6.246 8.279 10.586 1.00 0.00 O ATOM 671 CB VAL A 50 -5.317 5.433 11.680 1.00 0.00 C ATOM 672 CG1 VAL A 50 -5.581 4.149 12.475 1.00 0.00 C ATOM 673 CG2 VAL A 50 -5.457 5.250 10.144 1.00 0.00 C ATOM 0 H VAL A 50 -7.851 6.622 10.796 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.344 6.558 13.259 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.280 5.720 11.856 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.902 3.366 12.137 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.418 4.338 13.536 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.611 3.829 12.318 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.769 4.476 9.806 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.479 4.957 9.904 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.222 6.189 9.643 1.00 0.00 H new ATOM 683 N LEU A 51 -4.572 8.272 12.145 1.00 0.00 N ATOM 684 CA LEU A 51 -3.726 9.342 11.594 1.00 0.00 C ATOM 685 C LEU A 51 -2.869 8.764 10.502 1.00 0.00 C ATOM 686 O LEU A 51 -2.542 7.581 10.518 1.00 0.00 O ATOM 687 CB LEU A 51 -2.811 10.016 12.675 1.00 0.00 C ATOM 688 CG LEU A 51 -3.426 11.146 13.536 1.00 0.00 C ATOM 689 CD1 LEU A 51 -3.582 12.434 12.715 1.00 0.00 C ATOM 690 CD2 LEU A 51 -4.735 10.763 14.241 1.00 0.00 C ATOM 0 H LEU A 51 -4.202 7.899 13.019 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.385 10.120 11.209 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.458 9.236 13.349 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.935 10.420 12.168 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.715 11.325 14.342 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.016 13.214 13.341 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.605 12.758 12.357 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.236 12.246 11.864 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.097 11.611 14.822 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.482 10.488 13.497 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.556 9.918 14.906 1.00 0.00 H new ATOM 702 N GLY A 52 -2.689 9.552 9.400 1.00 0.00 N ATOM 703 CA GLY A 52 -2.542 8.980 8.061 1.00 0.00 C ATOM 704 C GLY A 52 -1.292 8.199 7.826 1.00 0.00 C ATOM 705 O GLY A 52 -1.326 7.121 7.258 1.00 0.00 O ATOM 0 H GLY A 52 -2.645 10.571 9.430 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.396 8.331 7.867 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.585 9.790 7.333 1.00 0.00 H new ATOM 709 N LYS A 53 -0.158 8.670 8.406 1.00 0.00 N ATOM 710 CA LYS A 53 1.199 8.105 8.466 1.00 0.00 C ATOM 711 C LYS A 53 1.314 6.726 9.177 1.00 0.00 C ATOM 712 O LYS A 53 2.337 6.348 9.736 1.00 0.00 O ATOM 713 CB LYS A 53 2.113 9.125 9.228 1.00 0.00 C ATOM 714 CG LYS A 53 1.482 9.922 10.407 1.00 0.00 C ATOM 715 CD LYS A 53 0.901 9.155 11.616 1.00 0.00 C ATOM 716 CE LYS A 53 1.915 8.383 12.482 1.00 0.00 C ATOM 717 NZ LYS A 53 2.882 9.298 13.130 1.00 0.00 N ATOM 0 H LYS A 53 -0.186 9.562 8.899 1.00 0.00 H new ATOM 0 HA LYS A 53 1.503 7.935 7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.974 8.580 9.615 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.491 9.844 8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.244 10.602 10.787 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.682 10.537 9.995 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.377 9.867 12.254 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.157 8.449 11.248 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.384 7.813 13.245 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.451 7.664 11.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.518 8.752 13.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.440 9.786 12.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.368 10.000 13.700 1.00 0.00 H new ATOM 731 N ASP A 54 0.210 5.968 9.141 1.00 0.00 N ATOM 732 CA ASP A 54 -0.070 4.668 9.648 1.00 0.00 C ATOM 733 C ASP A 54 -0.834 3.991 8.534 1.00 0.00 C ATOM 734 O ASP A 54 -0.333 3.106 7.857 1.00 0.00 O ATOM 735 CB ASP A 54 -0.917 4.628 10.959 1.00 0.00 C ATOM 736 CG ASP A 54 -0.149 5.241 12.129 1.00 0.00 C ATOM 737 OD1 ASP A 54 0.982 4.764 12.414 1.00 0.00 O ATOM 738 OD2 ASP A 54 -0.692 6.186 12.761 1.00 0.00 O ATOM 0 H ASP A 54 -0.620 6.337 8.677 1.00 0.00 H new ATOM 0 HA ASP A 54 0.866 4.184 9.927 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.851 5.170 10.809 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.181 3.597 11.194 1.00 0.00 H new ATOM 743 N ILE A 55 -2.113 4.359 8.294 1.00 0.00 N ATOM 744 CA ILE A 55 -2.903 3.712 7.243 1.00 0.00 C ATOM 745 C ILE A 55 -3.540 4.789 6.330 1.00 0.00 C ATOM 746 O ILE A 55 -4.541 5.420 6.672 1.00 0.00 O ATOM 747 CB ILE A 55 -3.892 2.691 7.840 1.00 0.00 C ATOM 748 CG1 ILE A 55 -3.566 2.131 9.272 1.00 0.00 C ATOM 749 CG2 ILE A 55 -4.073 1.558 6.816 1.00 0.00 C ATOM 750 CD1 ILE A 55 -2.447 1.091 9.445 1.00 0.00 C ATOM 0 H ILE A 55 -2.606 5.089 8.809 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.258 3.116 6.597 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.818 3.237 8.020 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.321 2.982 9.907 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.482 1.693 9.667 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.769 0.818 7.211 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.468 1.968 5.886 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.110 1.084 6.624 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.362 0.819 10.497 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.682 0.203 8.858 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.502 1.513 9.102 1.00 0.00 H new ATOM 762 N LEU A 56 -2.877 5.007 5.146 1.00 0.00 N ATOM 763 CA LEU A 56 -3.046 6.081 4.126 1.00 0.00 C ATOM 764 C LEU A 56 -3.079 5.810 2.642 1.00 0.00 C ATOM 765 O LEU A 56 -2.482 4.817 2.241 1.00 0.00 O ATOM 766 CB LEU A 56 -2.023 7.217 4.249 1.00 0.00 C ATOM 767 CG LEU A 56 -0.530 6.854 4.058 1.00 0.00 C ATOM 768 CD1 LEU A 56 0.010 6.599 2.617 1.00 0.00 C ATOM 769 CD2 LEU A 56 0.218 8.050 4.621 1.00 0.00 C ATOM 0 H LEU A 56 -2.137 4.365 4.861 1.00 0.00 H new ATOM 0 HA LEU A 56 -4.072 6.297 4.422 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.280 7.983 3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.137 7.668 5.235 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.389 5.888 4.542 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.072 6.357 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.532 5.767 2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.132 7.494 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.291 7.884 4.529 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.059 8.947 4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.041 8.179 5.672 1.00 0.00 H new ATOM 781 N LEU A 57 -3.600 6.801 1.802 1.00 0.00 N ATOM 782 CA LEU A 57 -3.470 6.974 0.353 1.00 0.00 C ATOM 783 C LEU A 57 -2.083 6.884 -0.254 1.00 0.00 C ATOM 784 O LEU A 57 -1.163 7.684 -0.150 1.00 0.00 O ATOM 785 CB LEU A 57 -3.832 8.498 0.018 1.00 0.00 C ATOM 786 CG LEU A 57 -2.972 9.766 0.352 1.00 0.00 C ATOM 787 CD1 LEU A 57 -3.783 11.059 0.141 1.00 0.00 C ATOM 788 CD2 LEU A 57 -2.339 9.781 1.735 1.00 0.00 C ATOM 0 H LEU A 57 -4.168 7.549 2.199 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.092 6.171 -0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.986 8.529 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.801 8.675 0.484 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.142 9.715 -0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.161 11.922 0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.105 11.121 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.657 11.050 0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.767 10.700 1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.120 9.731 2.493 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.675 8.923 1.841 1.00 0.00 H new ATOM 800 N CYS A 58 -1.895 5.787 -0.931 1.00 0.00 N ATOM 801 CA CYS A 58 -0.719 5.428 -1.592 1.00 0.00 C ATOM 802 C CYS A 58 -1.232 5.199 -3.023 1.00 0.00 C ATOM 803 O CYS A 58 -2.422 5.197 -3.325 1.00 0.00 O ATOM 804 CB CYS A 58 -0.237 4.208 -0.782 1.00 0.00 C ATOM 805 SG CYS A 58 1.553 4.307 -0.522 1.00 0.00 S ATOM 0 H CYS A 58 -2.627 5.083 -1.029 1.00 0.00 H new ATOM 0 HA CYS A 58 0.134 6.103 -1.659 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.751 4.172 0.178 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -0.486 3.288 -1.311 1.00 0.00 H new ATOM 0 HG CYS A 58 2.154 4.399 -1.671 1.00 0.00 H new ATOM 811 N ASP A 59 -0.302 4.939 -3.929 1.00 0.00 N ATOM 812 CA ASP A 59 -0.487 4.360 -5.266 1.00 0.00 C ATOM 813 C ASP A 59 -0.595 2.810 -5.123 1.00 0.00 C ATOM 814 O ASP A 59 -1.482 2.258 -5.770 1.00 0.00 O ATOM 815 CB ASP A 59 0.569 4.811 -6.352 1.00 0.00 C ATOM 816 CG ASP A 59 -0.096 5.430 -7.594 1.00 0.00 C ATOM 817 OD1 ASP A 59 -1.232 5.021 -7.953 1.00 0.00 O ATOM 818 OD2 ASP A 59 0.542 6.332 -8.200 1.00 0.00 O ATOM 0 H ASP A 59 0.680 5.140 -3.742 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.416 4.762 -5.670 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.254 5.535 -5.911 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.166 3.951 -6.654 1.00 0.00 H new ATOM 823 N PRO A 60 0.197 2.043 -4.288 1.00 0.00 N ATOM 824 CA PRO A 60 1.228 2.475 -3.354 1.00 0.00 C ATOM 825 C PRO A 60 2.428 3.097 -3.938 1.00 0.00 C ATOM 826 O PRO A 60 2.596 4.297 -3.755 1.00 0.00 O ATOM 827 CB PRO A 60 1.483 1.332 -2.356 1.00 0.00 C ATOM 828 CG PRO A 60 0.240 0.480 -2.521 1.00 0.00 C ATOM 829 CD PRO A 60 -0.120 0.652 -3.999 1.00 0.00 C ATOM 0 HA PRO A 60 0.846 3.338 -2.809 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.391 0.778 -2.595 1.00 0.00 H new ATOM 0 HB3 PRO A 60 1.592 1.699 -1.336 1.00 0.00 H new ATOM 0 HG2 PRO A 60 0.434 -0.564 -2.274 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.567 0.817 -1.870 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.455 -0.026 -4.630 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -1.174 0.439 -4.179 1.00 0.00 H new ATOM 837 N ILE A 61 3.317 2.302 -4.525 1.00 0.00 N ATOM 838 CA ILE A 61 4.667 2.739 -4.759 1.00 0.00 C ATOM 839 C ILE A 61 4.897 3.177 -6.195 1.00 0.00 C ATOM 840 O ILE A 61 4.117 2.794 -7.068 1.00 0.00 O ATOM 841 CB ILE A 61 5.472 1.649 -4.079 1.00 0.00 C ATOM 842 CG1 ILE A 61 5.260 1.891 -2.572 1.00 0.00 C ATOM 843 CG2 ILE A 61 6.992 1.676 -4.210 1.00 0.00 C ATOM 844 CD1 ILE A 61 6.118 3.011 -1.970 1.00 0.00 C ATOM 0 H ILE A 61 3.116 1.354 -4.843 1.00 0.00 H new ATOM 0 HA ILE A 61 4.997 3.685 -4.329 1.00 0.00 H new ATOM 0 HB ILE A 61 5.132 0.721 -4.539 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.210 2.126 -2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 61 5.470 0.965 -2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.419 0.832 -3.669 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.268 1.609 -5.262 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.377 2.607 -3.793 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.898 3.106 -0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 61 7.173 2.772 -2.103 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.893 3.952 -2.472 1.00 0.00 H new ATOM 856 N PRO A 62 5.919 4.031 -6.500 1.00 0.00 N ATOM 857 CA PRO A 62 6.104 4.729 -7.778 1.00 0.00 C ATOM 858 C PRO A 62 6.346 3.762 -8.932 1.00 0.00 C ATOM 859 O PRO A 62 7.310 3.010 -8.927 1.00 0.00 O ATOM 860 CB PRO A 62 7.263 5.722 -7.490 1.00 0.00 C ATOM 861 CG PRO A 62 7.159 5.965 -5.986 1.00 0.00 C ATOM 862 CD PRO A 62 6.793 4.607 -5.491 1.00 0.00 C ATOM 0 HA PRO A 62 5.218 5.264 -8.119 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.230 5.300 -7.762 1.00 0.00 H new ATOM 0 HB3 PRO A 62 7.149 6.647 -8.055 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.099 6.317 -5.561 1.00 0.00 H new ATOM 0 HG3 PRO A 62 6.401 6.709 -5.742 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.681 3.992 -5.348 1.00 0.00 H new ATOM 0 HD3 PRO A 62 6.288 4.667 -4.527 1.00 0.00 H new ATOM 870 N LEU A 63 5.443 3.754 -9.925 1.00 0.00 N ATOM 871 CA LEU A 63 5.173 2.857 -11.040 1.00 0.00 C ATOM 872 C LEU A 63 6.203 2.125 -11.888 1.00 0.00 C ATOM 873 O LEU A 63 5.873 1.615 -12.949 1.00 0.00 O ATOM 874 CB LEU A 63 3.971 3.458 -11.798 1.00 0.00 C ATOM 875 CG LEU A 63 2.680 3.216 -10.980 1.00 0.00 C ATOM 876 CD1 LEU A 63 1.823 4.474 -10.752 1.00 0.00 C ATOM 877 CD2 LEU A 63 1.922 2.065 -11.646 1.00 0.00 C ATOM 0 H LEU A 63 4.771 4.521 -9.957 1.00 0.00 H new ATOM 0 HA LEU A 63 5.022 1.907 -10.528 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.122 4.526 -11.954 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.882 3.001 -12.784 1.00 0.00 H new ATOM 0 HG LEU A 63 2.952 2.939 -9.961 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.939 4.212 -10.171 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.406 5.218 -10.210 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.516 4.884 -11.714 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.003 1.867 -11.094 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.677 2.337 -12.673 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.545 1.171 -11.646 1.00 0.00 H new ATOM 889 N ASP A 64 7.461 2.060 -11.423 1.00 0.00 N ATOM 890 CA ASP A 64 8.548 1.237 -11.954 1.00 0.00 C ATOM 891 C ASP A 64 9.604 1.160 -10.872 1.00 0.00 C ATOM 892 O ASP A 64 10.781 1.461 -11.054 1.00 0.00 O ATOM 893 CB ASP A 64 8.992 1.788 -13.308 1.00 0.00 C ATOM 894 CG ASP A 64 9.942 0.880 -14.091 1.00 0.00 C ATOM 895 OD1 ASP A 64 9.556 -0.288 -14.362 1.00 0.00 O ATOM 896 OD2 ASP A 64 11.062 1.346 -14.430 1.00 0.00 O ATOM 0 H ASP A 64 7.759 2.614 -10.620 1.00 0.00 H new ATOM 0 HA ASP A 64 8.259 0.210 -12.179 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.107 1.975 -13.916 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.479 2.750 -13.151 1.00 0.00 H new ATOM 901 N THR A 65 9.119 0.848 -9.648 1.00 0.00 N ATOM 902 CA THR A 65 9.842 0.824 -8.404 1.00 0.00 C ATOM 903 C THR A 65 9.884 -0.513 -7.833 1.00 0.00 C ATOM 904 O THR A 65 8.878 -1.174 -7.652 1.00 0.00 O ATOM 905 CB THR A 65 9.416 1.853 -7.371 1.00 0.00 C ATOM 906 OG1 THR A 65 9.641 3.139 -7.921 1.00 0.00 O ATOM 907 CG2 THR A 65 10.200 1.802 -6.055 1.00 0.00 C ATOM 0 H THR A 65 8.140 0.592 -9.520 1.00 0.00 H new ATOM 0 HA THR A 65 10.852 1.126 -8.683 1.00 0.00 H new ATOM 0 HB THR A 65 8.373 1.637 -7.141 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.934 3.347 -8.567 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.827 2.572 -5.379 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.074 0.822 -5.594 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.257 1.976 -6.254 1.00 0.00 H new ATOM 915 N GLU A 66 11.083 -0.909 -7.433 1.00 0.00 N ATOM 916 CA GLU A 66 11.396 -2.146 -6.753 1.00 0.00 C ATOM 917 C GLU A 66 10.761 -2.266 -5.360 1.00 0.00 C ATOM 918 O GLU A 66 11.305 -1.883 -4.343 1.00 0.00 O ATOM 919 CB GLU A 66 12.928 -2.381 -6.655 1.00 0.00 C ATOM 920 CG GLU A 66 13.653 -2.229 -8.003 1.00 0.00 C ATOM 921 CD GLU A 66 15.136 -2.557 -7.831 1.00 0.00 C ATOM 922 OE1 GLU A 66 15.448 -3.730 -7.490 1.00 0.00 O ATOM 923 OE2 GLU A 66 15.976 -1.641 -8.041 1.00 0.00 O ATOM 0 H GLU A 66 11.912 -0.335 -7.587 1.00 0.00 H new ATOM 0 HA GLU A 66 10.953 -2.924 -7.374 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.352 -1.676 -5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 66 13.111 -3.381 -6.262 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.207 -2.893 -8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.537 -1.212 -8.377 1.00 0.00 H new ATOM 930 N VAL A 67 9.589 -2.905 -5.302 1.00 0.00 N ATOM 931 CA VAL A 67 8.822 -3.191 -4.099 1.00 0.00 C ATOM 932 C VAL A 67 8.958 -4.643 -3.834 1.00 0.00 C ATOM 933 O VAL A 67 9.509 -5.405 -4.613 1.00 0.00 O ATOM 934 CB VAL A 67 7.356 -2.753 -4.013 1.00 0.00 C ATOM 935 CG1 VAL A 67 7.273 -1.774 -2.830 1.00 0.00 C ATOM 936 CG2 VAL A 67 6.825 -2.142 -5.320 1.00 0.00 C ATOM 0 H VAL A 67 9.130 -3.254 -6.143 1.00 0.00 H new ATOM 0 HA VAL A 67 9.258 -2.549 -3.334 1.00 0.00 H new ATOM 0 HB VAL A 67 6.712 -3.618 -3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.246 -1.425 -2.718 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.586 -2.280 -1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.927 -0.922 -3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.782 -1.854 -5.189 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.415 -1.262 -5.576 1.00 0.00 H new ATOM 0 HG23 VAL A 67 6.901 -2.876 -6.122 1.00 0.00 H new ATOM 946 N THR A 68 8.471 -5.060 -2.661 1.00 0.00 N ATOM 947 CA THR A 68 8.644 -6.423 -2.160 1.00 0.00 C ATOM 948 C THR A 68 7.405 -7.240 -2.397 1.00 0.00 C ATOM 949 O THR A 68 6.284 -6.768 -2.232 1.00 0.00 O ATOM 950 CB THR A 68 9.222 -6.441 -0.750 1.00 0.00 C ATOM 951 OG1 THR A 68 9.359 -7.735 -0.154 1.00 0.00 O ATOM 952 CG2 THR A 68 8.288 -5.589 0.080 1.00 0.00 C ATOM 0 H THR A 68 7.943 -4.456 -2.031 1.00 0.00 H new ATOM 0 HA THR A 68 9.412 -6.936 -2.739 1.00 0.00 H new ATOM 0 HB THR A 68 10.245 -6.068 -0.795 1.00 0.00 H new ATOM 0 HG1 THR A 68 9.811 -7.650 0.711 1.00 0.00 H new ATOM 0 HG21 THR A 68 8.643 -5.557 1.110 1.00 0.00 H new ATOM 0 HG22 THR A 68 8.260 -4.578 -0.326 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.286 -6.017 0.055 1.00 0.00 H new ATOM 960 N ALA A 69 7.614 -8.490 -2.818 1.00 0.00 N ATOM 961 CA ALA A 69 6.589 -9.442 -3.166 1.00 0.00 C ATOM 962 C ALA A 69 6.384 -10.457 -2.060 1.00 0.00 C ATOM 963 O ALA A 69 7.363 -10.875 -1.440 1.00 0.00 O ATOM 964 CB ALA A 69 7.083 -10.100 -4.452 1.00 0.00 C ATOM 0 H ALA A 69 8.554 -8.872 -2.926 1.00 0.00 H new ATOM 0 HA ALA A 69 5.618 -8.966 -3.305 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.356 -10.841 -4.784 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.207 -9.341 -5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.040 -10.588 -4.267 1.00 0.00 H new ATOM 970 N LEU A 70 5.120 -10.899 -1.756 1.00 0.00 N ATOM 971 CA LEU A 70 4.872 -11.935 -0.739 1.00 0.00 C ATOM 972 C LEU A 70 5.383 -13.334 -1.090 1.00 0.00 C ATOM 973 O LEU A 70 4.878 -14.122 -1.891 1.00 0.00 O ATOM 974 CB LEU A 70 3.515 -11.997 -0.008 1.00 0.00 C ATOM 975 CG LEU A 70 3.516 -11.223 1.338 1.00 0.00 C ATOM 976 CD1 LEU A 70 4.492 -11.746 2.428 1.00 0.00 C ATOM 977 CD2 LEU A 70 3.741 -9.729 1.099 1.00 0.00 C ATOM 0 H LEU A 70 4.275 -10.547 -2.206 1.00 0.00 H new ATOM 0 HA LEU A 70 5.519 -11.505 0.026 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.740 -11.587 -0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.256 -13.039 0.179 1.00 0.00 H new ATOM 0 HG LEU A 70 2.523 -11.404 1.750 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.404 -11.128 3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 70 4.243 -12.778 2.675 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.515 -11.699 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.738 -9.203 2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.701 -9.580 0.605 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.944 -9.337 0.467 1.00 0.00 H new ATOM 989 N SER A 71 6.514 -13.529 -0.417 1.00 0.00 N ATOM 990 CA SER A 71 7.503 -14.544 -0.294 1.00 0.00 C ATOM 991 C SER A 71 7.659 -14.458 1.212 1.00 0.00 C ATOM 992 O SER A 71 7.081 -13.551 1.817 1.00 0.00 O ATOM 993 CB SER A 71 8.737 -14.189 -1.161 1.00 0.00 C ATOM 994 OG SER A 71 9.827 -15.092 -0.987 1.00 0.00 O ATOM 0 H SER A 71 6.798 -12.767 0.199 1.00 0.00 H new ATOM 0 HA SER A 71 7.297 -15.555 -0.645 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.445 -14.181 -2.211 1.00 0.00 H new ATOM 0 HB3 SER A 71 9.067 -13.180 -0.915 1.00 0.00 H new ATOM 0 HG SER A 71 10.574 -14.818 -1.560 1.00 0.00 H new ATOM 1063 N PHE A 76 11.435 -12.302 2.305 1.00 0.00 N ATOM 1064 CA PHE A 76 10.788 -11.900 1.053 1.00 0.00 C ATOM 1065 C PHE A 76 11.660 -11.114 0.055 1.00 0.00 C ATOM 1066 O PHE A 76 12.720 -10.588 0.387 1.00 0.00 O ATOM 1067 CB PHE A 76 9.478 -11.109 1.346 1.00 0.00 C ATOM 1068 CG PHE A 76 9.538 -9.987 2.363 1.00 0.00 C ATOM 1069 CD1 PHE A 76 10.674 -9.273 2.734 1.00 0.00 C ATOM 1070 CD2 PHE A 76 8.334 -9.641 2.943 1.00 0.00 C ATOM 1071 CE1 PHE A 76 10.585 -8.197 3.589 1.00 0.00 C ATOM 1072 CE2 PHE A 76 8.250 -8.599 3.836 1.00 0.00 C ATOM 1073 CZ PHE A 76 9.367 -7.845 4.118 1.00 0.00 C ATOM 0 HA PHE A 76 10.576 -12.844 0.552 1.00 0.00 H new ATOM 0 HB2 PHE A 76 9.124 -10.688 0.405 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.724 -11.822 1.680 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.638 -9.567 2.346 1.00 0.00 H new ATOM 0 HD2 PHE A 76 7.444 -10.198 2.691 1.00 0.00 H new ATOM 0 HE1 PHE A 76 11.470 -7.632 3.843 1.00 0.00 H new ATOM 0 HE2 PHE A 76 7.309 -8.372 4.316 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.286 -6.977 4.755 1.00 0.00 H new ATOM 1083 N SER A 77 11.254 -11.025 -1.229 1.00 0.00 N ATOM 1084 CA SER A 77 12.131 -10.451 -2.260 1.00 0.00 C ATOM 1085 C SER A 77 11.496 -9.335 -3.054 1.00 0.00 C ATOM 1086 O SER A 77 10.277 -9.275 -3.207 1.00 0.00 O ATOM 1087 CB SER A 77 12.648 -11.564 -3.224 1.00 0.00 C ATOM 1088 OG SER A 77 11.583 -12.368 -3.736 1.00 0.00 O ATOM 0 H SER A 77 10.344 -11.337 -1.568 1.00 0.00 H new ATOM 0 HA SER A 77 12.967 -10.007 -1.720 1.00 0.00 H new ATOM 0 HB2 SER A 77 13.186 -11.104 -4.053 1.00 0.00 H new ATOM 0 HB3 SER A 77 13.360 -12.199 -2.696 1.00 0.00 H new ATOM 0 HG SER A 77 11.948 -13.051 -4.336 1.00 0.00 H new ATOM 1094 N ALA A 78 12.352 -8.424 -3.614 1.00 0.00 N ATOM 1095 CA ALA A 78 11.948 -7.306 -4.467 1.00 0.00 C ATOM 1096 C ALA A 78 11.754 -7.668 -5.935 1.00 0.00 C ATOM 1097 O ALA A 78 12.490 -8.432 -6.557 1.00 0.00 O ATOM 1098 CB ALA A 78 12.743 -5.971 -4.259 1.00 0.00 C ATOM 0 H ALA A 78 13.361 -8.466 -3.469 1.00 0.00 H new ATOM 0 HA ALA A 78 10.951 -7.078 -4.091 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.362 -5.211 -4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 78 12.620 -5.631 -3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.800 -6.142 -4.460 1.00 0.00 H new ATOM 1104 N GLY A 79 10.677 -7.075 -6.481 1.00 0.00 N ATOM 1105 CA GLY A 79 10.207 -7.125 -7.842 1.00 0.00 C ATOM 1106 C GLY A 79 9.805 -5.731 -8.055 1.00 0.00 C ATOM 1107 O GLY A 79 10.155 -4.865 -7.279 1.00 0.00 O ATOM 0 H GLY A 79 10.066 -6.495 -5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.987 -7.439 -8.536 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.374 -7.817 -7.965 1.00 0.00 H new ATOM 1111 N VAL A 80 9.088 -5.422 -9.120 1.00 0.00 N ATOM 1112 CA VAL A 80 8.809 -4.052 -9.463 1.00 0.00 C ATOM 1113 C VAL A 80 7.358 -3.819 -9.506 1.00 0.00 C ATOM 1114 O VAL A 80 6.631 -4.599 -10.095 1.00 0.00 O ATOM 1115 CB VAL A 80 9.507 -3.821 -10.806 1.00 0.00 C ATOM 1116 CG1 VAL A 80 8.985 -2.666 -11.683 1.00 0.00 C ATOM 1117 CG2 VAL A 80 10.965 -3.544 -10.433 1.00 0.00 C ATOM 0 H VAL A 80 8.690 -6.109 -9.760 1.00 0.00 H new ATOM 0 HA VAL A 80 9.182 -3.342 -8.725 1.00 0.00 H new ATOM 0 HB VAL A 80 9.329 -4.699 -11.427 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.568 -2.615 -12.603 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.937 -2.839 -11.927 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.081 -1.725 -11.141 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.545 -3.366 -11.339 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.016 -2.665 -9.791 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.375 -4.404 -9.903 1.00 0.00 H new ATOM 1127 N VAL A 81 6.877 -2.662 -8.970 1.00 0.00 N ATOM 1128 CA VAL A 81 5.539 -2.172 -9.310 1.00 0.00 C ATOM 1129 C VAL A 81 5.621 -1.566 -10.711 1.00 0.00 C ATOM 1130 O VAL A 81 6.563 -0.808 -10.957 1.00 0.00 O ATOM 1131 CB VAL A 81 5.059 -1.078 -8.339 1.00 0.00 C ATOM 1132 CG1 VAL A 81 5.936 0.194 -8.324 1.00 0.00 C ATOM 1133 CG2 VAL A 81 3.643 -0.586 -8.662 1.00 0.00 C ATOM 0 H VAL A 81 7.394 -2.073 -8.317 1.00 0.00 H new ATOM 0 HA VAL A 81 4.835 -3.002 -9.252 1.00 0.00 H new ATOM 0 HB VAL A 81 5.110 -1.581 -7.373 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.525 0.911 -7.613 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.952 -0.068 -8.029 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.950 0.638 -9.319 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.354 0.184 -7.947 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.623 -0.172 -9.670 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.945 -1.420 -8.599 1.00 0.00 H new ATOM 1143 N LYS A 82 4.701 -1.949 -11.637 1.00 0.00 N ATOM 1144 CA LYS A 82 4.740 -1.444 -13.003 1.00 0.00 C ATOM 1145 C LYS A 82 3.433 -0.806 -13.436 1.00 0.00 C ATOM 1146 O LYS A 82 3.412 0.217 -14.114 1.00 0.00 O ATOM 1147 CB LYS A 82 5.163 -2.551 -13.991 1.00 0.00 C ATOM 1148 CG LYS A 82 5.880 -2.006 -15.237 1.00 0.00 C ATOM 1149 CD LYS A 82 6.451 -3.115 -16.126 1.00 0.00 C ATOM 1150 CE LYS A 82 7.321 -2.552 -17.259 1.00 0.00 C ATOM 1151 NZ LYS A 82 7.798 -3.626 -18.158 1.00 0.00 N ATOM 0 H LYS A 82 3.938 -2.599 -11.448 1.00 0.00 H new ATOM 0 HA LYS A 82 5.492 -0.655 -13.018 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.820 -3.254 -13.480 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.280 -3.109 -14.302 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.182 -1.404 -15.818 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.688 -1.344 -14.925 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.045 -3.798 -15.518 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.633 -3.696 -16.551 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.748 -1.823 -17.832 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.175 -2.024 -16.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.694 -3.336 -18.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.948 -4.497 -17.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.088 -3.801 -18.897 1.00 0.00 H new ATOM 1165 N GLY A 83 2.276 -1.406 -13.057 1.00 0.00 N ATOM 1166 CA GLY A 83 0.957 -0.900 -13.441 1.00 0.00 C ATOM 1167 C GLY A 83 -0.108 -1.470 -12.543 1.00 0.00 C ATOM 1168 O GLY A 83 -0.007 -2.626 -12.108 1.00 0.00 O ATOM 0 H GLY A 83 2.243 -2.247 -12.481 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.947 0.188 -13.381 1.00 0.00 H new ATOM 0 HA3 GLY A 83 0.747 -1.165 -14.477 1.00 0.00 H new ATOM 1172 N HIS A 84 -1.184 -0.698 -12.236 1.00 0.00 N ATOM 1173 CA HIS A 84 -2.244 -1.174 -11.351 1.00 0.00 C ATOM 1174 C HIS A 84 -3.653 -0.736 -11.664 1.00 0.00 C ATOM 1175 O HIS A 84 -3.913 0.315 -12.253 1.00 0.00 O ATOM 1176 CB HIS A 84 -1.913 -0.946 -9.854 1.00 0.00 C ATOM 1177 CG HIS A 84 -1.034 0.228 -9.490 1.00 0.00 C ATOM 1178 ND1 HIS A 84 -1.394 1.559 -9.381 1.00 0.00 N ATOM 1179 CD2 HIS A 84 0.238 0.158 -9.023 1.00 0.00 C ATOM 1180 CE1 HIS A 84 -0.324 2.208 -8.851 1.00 0.00 C ATOM 1181 NE2 HIS A 84 0.670 1.391 -8.594 1.00 0.00 N ATOM 0 H HIS A 84 -1.326 0.247 -12.593 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.251 -2.243 -11.564 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.855 -0.836 -9.317 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.435 -1.850 -9.477 1.00 0.00 H new ATOM 0 HD2 HIS A 84 0.831 -0.744 -8.992 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -0.295 3.271 -8.663 1.00 0.00 H new ATOM 0 HE2 HIS A 84 1.568 1.621 -8.168 1.00 0.00 H new ATOM 1302 N TYR A 92 -5.969 -5.720 -8.715 1.00 0.00 N ATOM 1303 CA TYR A 92 -4.807 -6.449 -9.210 1.00 0.00 C ATOM 1304 C TYR A 92 -3.688 -5.509 -9.567 1.00 0.00 C ATOM 1305 O TYR A 92 -3.870 -4.535 -10.298 1.00 0.00 O ATOM 1306 CB TYR A 92 -5.111 -7.623 -10.218 1.00 0.00 C ATOM 1307 CG TYR A 92 -6.245 -7.413 -11.205 1.00 0.00 C ATOM 1308 CD1 TYR A 92 -7.571 -7.664 -10.872 1.00 0.00 C ATOM 1309 CD2 TYR A 92 -5.965 -7.102 -12.519 1.00 0.00 C ATOM 1310 CE1 TYR A 92 -8.575 -7.565 -11.818 1.00 0.00 C ATOM 1311 CE2 TYR A 92 -6.952 -7.049 -13.480 1.00 0.00 C ATOM 1312 CZ TYR A 92 -8.265 -7.266 -13.125 1.00 0.00 C ATOM 1313 OH TYR A 92 -9.297 -7.187 -14.081 1.00 0.00 O ATOM 0 HA TYR A 92 -4.426 -7.039 -8.377 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -4.202 -7.825 -10.785 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -5.330 -8.519 -9.637 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.821 -7.941 -9.858 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -4.944 -6.894 -12.803 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.604 -7.723 -11.531 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -6.697 -6.838 -14.508 1.00 0.00 H new ATOM 0 HH TYR A 92 -8.916 -6.966 -14.956 1.00 0.00 H new ATOM 1323 N TYR A 93 -2.489 -5.790 -8.998 1.00 0.00 N ATOM 1324 CA TYR A 93 -1.248 -5.070 -9.194 1.00 0.00 C ATOM 1325 C TYR A 93 -0.391 -5.970 -10.072 1.00 0.00 C ATOM 1326 O TYR A 93 -0.216 -7.153 -9.781 1.00 0.00 O ATOM 1327 CB TYR A 93 -0.538 -4.661 -7.853 1.00 0.00 C ATOM 1328 CG TYR A 93 -1.117 -3.397 -7.242 1.00 0.00 C ATOM 1329 CD1 TYR A 93 -2.485 -3.281 -7.036 1.00 0.00 C ATOM 1330 CD2 TYR A 93 -0.319 -2.287 -6.944 1.00 0.00 C ATOM 1331 CE1 TYR A 93 -3.070 -2.085 -6.694 1.00 0.00 C ATOM 1332 CE2 TYR A 93 -0.925 -1.084 -6.623 1.00 0.00 C ATOM 1333 CZ TYR A 93 -2.293 -0.978 -6.518 1.00 0.00 C ATOM 1334 OH TYR A 93 -2.947 0.246 -6.311 1.00 0.00 O ATOM 0 H TYR A 93 -2.378 -6.575 -8.356 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.432 -4.108 -9.672 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.626 -5.478 -7.137 1.00 0.00 H new ATOM 0 HB3 TYR A 93 0.526 -4.514 -8.041 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.108 -4.156 -7.148 1.00 0.00 H new ATOM 0 HD2 TYR A 93 0.758 -2.368 -6.964 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.140 -2.022 -6.565 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -0.312 -0.212 -6.452 1.00 0.00 H new ATOM 0 HH TYR A 93 -2.323 0.983 -6.479 1.00 0.00 H new ATOM 1344 N SER A 94 0.159 -5.412 -11.190 1.00 0.00 N ATOM 1345 CA SER A 94 1.044 -6.080 -12.138 1.00 0.00 C ATOM 1346 C SER A 94 2.456 -5.826 -11.662 1.00 0.00 C ATOM 1347 O SER A 94 3.059 -4.764 -11.858 1.00 0.00 O ATOM 1348 CB SER A 94 0.816 -5.677 -13.626 1.00 0.00 C ATOM 1349 OG SER A 94 0.998 -4.295 -13.924 1.00 0.00 O ATOM 0 H SER A 94 -0.022 -4.442 -11.448 1.00 0.00 H new ATOM 0 HA SER A 94 0.825 -7.148 -12.150 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.496 -6.257 -14.249 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.197 -5.961 -13.910 1.00 0.00 H new ATOM 0 HG SER A 94 0.408 -3.757 -13.356 1.00 0.00 H new ATOM 1355 N ILE A 95 2.948 -6.829 -10.907 1.00 0.00 N ATOM 1356 CA ILE A 95 4.206 -6.796 -10.197 1.00 0.00 C ATOM 1357 C ILE A 95 5.164 -7.534 -11.071 1.00 0.00 C ATOM 1358 O ILE A 95 4.938 -8.693 -11.410 1.00 0.00 O ATOM 1359 CB ILE A 95 4.001 -7.384 -8.809 1.00 0.00 C ATOM 1360 CG1 ILE A 95 2.868 -6.573 -8.124 1.00 0.00 C ATOM 1361 CG2 ILE A 95 5.285 -7.391 -7.940 1.00 0.00 C ATOM 1362 CD1 ILE A 95 3.111 -5.056 -8.028 1.00 0.00 C ATOM 0 H ILE A 95 2.448 -7.709 -10.782 1.00 0.00 H new ATOM 0 HA ILE A 95 4.607 -5.799 -10.015 1.00 0.00 H new ATOM 0 HB ILE A 95 3.730 -8.435 -8.913 1.00 0.00 H new ATOM 0 HG12 ILE A 95 1.941 -6.742 -8.671 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.720 -6.965 -7.118 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.062 -7.824 -6.965 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.055 -7.984 -8.433 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.642 -6.369 -7.810 1.00 0.00 H new ATOM 0 HD11 ILE A 95 2.263 -4.582 -7.534 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.017 -4.868 -7.452 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.226 -4.642 -9.030 1.00 0.00 H new ATOM 1374 N GLU A 96 6.257 -6.868 -11.522 1.00 0.00 N ATOM 1375 CA GLU A 96 7.199 -7.503 -12.458 1.00 0.00 C ATOM 1376 C GLU A 96 8.239 -8.269 -11.667 1.00 0.00 C ATOM 1377 O GLU A 96 8.949 -7.707 -10.839 1.00 0.00 O ATOM 1378 CB GLU A 96 7.793 -6.521 -13.495 1.00 0.00 C ATOM 1379 CG GLU A 96 8.497 -7.241 -14.661 1.00 0.00 C ATOM 1380 CD GLU A 96 8.852 -6.243 -15.760 1.00 0.00 C ATOM 1381 OE1 GLU A 96 9.605 -5.276 -15.467 1.00 0.00 O ATOM 1382 OE2 GLU A 96 8.376 -6.441 -16.910 1.00 0.00 O ATOM 0 H GLU A 96 6.498 -5.913 -11.256 1.00 0.00 H new ATOM 0 HA GLU A 96 6.652 -8.214 -13.077 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.996 -5.891 -13.891 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.504 -5.861 -12.998 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.400 -7.734 -14.301 1.00 0.00 H new ATOM 0 HG3 GLU A 96 7.848 -8.019 -15.062 1.00 0.00 H new ATOM 1389 N LYS A 97 8.227 -9.612 -11.808 1.00 0.00 N ATOM 1390 CA LYS A 97 8.850 -10.455 -10.804 1.00 0.00 C ATOM 1391 C LYS A 97 9.521 -11.642 -11.421 1.00 0.00 C ATOM 1392 O LYS A 97 8.893 -12.404 -12.154 1.00 0.00 O ATOM 1393 CB LYS A 97 7.669 -10.987 -9.947 1.00 0.00 C ATOM 1394 CG LYS A 97 7.921 -11.457 -8.498 1.00 0.00 C ATOM 1395 CD LYS A 97 8.947 -12.562 -8.226 1.00 0.00 C ATOM 1396 CE LYS A 97 8.807 -13.095 -6.796 1.00 0.00 C ATOM 1397 NZ LYS A 97 9.899 -14.029 -6.445 1.00 0.00 N ATOM 0 H LYS A 97 7.802 -10.111 -12.590 1.00 0.00 H new ATOM 0 HA LYS A 97 9.599 -9.894 -10.246 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.916 -10.200 -9.907 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.226 -11.824 -10.488 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.222 -10.583 -7.920 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.966 -11.793 -8.094 1.00 0.00 H new ATOM 0 HD2 LYS A 97 8.809 -13.376 -8.937 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.954 -12.174 -8.377 1.00 0.00 H new ATOM 0 HE2 LYS A 97 8.805 -12.260 -6.096 1.00 0.00 H new ATOM 0 HE3 LYS A 97 7.848 -13.602 -6.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.796 -14.327 -5.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.854 -14.864 -7.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.816 -13.554 -6.570 1.00 0.00 H new ATOM 1411 N GLU A 98 10.832 -11.875 -11.128 1.00 0.00 N ATOM 1412 CA GLU A 98 11.623 -13.034 -11.576 1.00 0.00 C ATOM 1413 C GLU A 98 11.852 -13.145 -13.100 1.00 0.00 C ATOM 1414 O GLU A 98 12.472 -14.078 -13.604 1.00 0.00 O ATOM 1415 CB GLU A 98 11.052 -14.348 -10.941 1.00 0.00 C ATOM 1416 CG GLU A 98 11.743 -14.718 -9.621 1.00 0.00 C ATOM 1417 CD GLU A 98 11.144 -16.010 -9.066 1.00 0.00 C ATOM 1418 OE1 GLU A 98 9.903 -16.052 -8.853 1.00 0.00 O ATOM 1419 OE2 GLU A 98 11.924 -16.979 -8.852 1.00 0.00 O ATOM 0 H GLU A 98 11.376 -11.232 -10.553 1.00 0.00 H new ATOM 0 HA GLU A 98 12.634 -12.868 -11.204 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.983 -14.227 -10.765 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.167 -15.169 -11.649 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.814 -14.843 -9.783 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.622 -13.911 -8.898 1.00 0.00 H new ATOM 1426 N GLY A 99 11.367 -12.116 -13.833 1.00 0.00 N ATOM 1427 CA GLY A 99 11.468 -11.931 -15.277 1.00 0.00 C ATOM 1428 C GLY A 99 10.105 -11.875 -15.908 1.00 0.00 C ATOM 1429 O GLY A 99 9.955 -11.469 -17.054 1.00 0.00 O ATOM 0 H GLY A 99 10.863 -11.348 -13.390 1.00 0.00 H new ATOM 0 HA2 GLY A 99 12.011 -11.011 -15.493 1.00 0.00 H new ATOM 0 HA3 GLY A 99 12.042 -12.749 -15.713 1.00 0.00 H new ATOM 1433 N GLN A 100 9.058 -12.294 -15.157 1.00 0.00 N ATOM 1434 CA GLN A 100 7.669 -12.371 -15.587 1.00 0.00 C ATOM 1435 C GLN A 100 6.740 -11.504 -14.773 1.00 0.00 C ATOM 1436 O GLN A 100 7.123 -10.910 -13.779 1.00 0.00 O ATOM 1437 CB GLN A 100 7.215 -13.856 -15.741 1.00 0.00 C ATOM 1438 CG GLN A 100 7.505 -14.832 -14.564 1.00 0.00 C ATOM 1439 CD GLN A 100 6.422 -14.823 -13.484 1.00 0.00 C ATOM 1440 OE1 GLN A 100 5.382 -15.481 -13.607 1.00 0.00 O ATOM 1441 NE2 GLN A 100 6.659 -14.043 -12.393 1.00 0.00 N ATOM 0 H GLN A 100 9.181 -12.599 -14.191 1.00 0.00 H new ATOM 0 HA GLN A 100 7.605 -11.932 -16.583 1.00 0.00 H new ATOM 0 HB2 GLN A 100 6.140 -13.860 -15.922 1.00 0.00 H new ATOM 0 HB3 GLN A 100 7.690 -14.260 -16.635 1.00 0.00 H new ATOM 0 HG2 GLN A 100 7.606 -15.843 -14.958 1.00 0.00 H new ATOM 0 HG3 GLN A 100 8.461 -14.569 -14.111 1.00 0.00 H new ATOM 0 HE21 GLN A 100 7.528 -13.513 -12.324 1.00 0.00 H new ATOM 0 HE22 GLN A 100 5.968 -13.989 -11.645 1.00 0.00 H new ATOM 1450 N ARG A 101 5.465 -11.341 -15.189 1.00 0.00 N ATOM 1451 CA ARG A 101 4.508 -10.477 -14.516 1.00 0.00 C ATOM 1452 C ARG A 101 3.609 -11.251 -13.584 1.00 0.00 C ATOM 1453 O ARG A 101 2.995 -12.223 -14.004 1.00 0.00 O ATOM 1454 CB ARG A 101 3.654 -9.714 -15.569 1.00 0.00 C ATOM 1455 CG ARG A 101 3.052 -8.391 -15.062 1.00 0.00 C ATOM 1456 CD ARG A 101 4.110 -7.292 -14.831 1.00 0.00 C ATOM 1457 NE ARG A 101 4.842 -6.984 -16.111 1.00 0.00 N ATOM 1458 CZ ARG A 101 4.347 -6.175 -17.099 1.00 0.00 C ATOM 1459 NH1 ARG A 101 3.164 -5.512 -16.944 1.00 0.00 N ATOM 1460 NH2 ARG A 101 5.060 -6.021 -18.254 1.00 0.00 N ATOM 0 H ARG A 101 5.082 -11.814 -16.008 1.00 0.00 H new ATOM 0 HA ARG A 101 5.071 -9.764 -13.913 1.00 0.00 H new ATOM 0 HB2 ARG A 101 4.275 -9.506 -16.441 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.844 -10.363 -15.902 1.00 0.00 H new ATOM 0 HG2 ARG A 101 2.317 -8.033 -15.783 1.00 0.00 H new ATOM 0 HG3 ARG A 101 2.519 -8.575 -14.129 1.00 0.00 H new ATOM 0 HD2 ARG A 101 3.629 -6.389 -14.455 1.00 0.00 H new ATOM 0 HD3 ARG A 101 4.819 -7.616 -14.069 1.00 0.00 H new ATOM 0 HE ARG A 101 5.761 -7.403 -16.250 1.00 0.00 H new ATOM 0 HH11 ARG A 101 2.631 -5.614 -16.080 1.00 0.00 H new ATOM 0 HH12 ARG A 101 2.813 -4.914 -17.692 1.00 0.00 H new ATOM 0 HH21 ARG A 101 5.950 -6.506 -18.373 1.00 0.00 H new ATOM 0 HH22 ARG A 101 4.703 -5.421 -18.998 1.00 0.00 H new ATOM 1474 N LYS A 102 3.501 -10.842 -12.300 1.00 0.00 N ATOM 1475 CA LYS A 102 2.595 -11.490 -11.348 1.00 0.00 C ATOM 1476 C LYS A 102 1.442 -10.545 -11.173 1.00 0.00 C ATOM 1477 O LYS A 102 1.636 -9.370 -10.885 1.00 0.00 O ATOM 1478 CB LYS A 102 3.275 -11.891 -10.000 1.00 0.00 C ATOM 1479 CG LYS A 102 3.796 -13.342 -10.110 1.00 0.00 C ATOM 1480 CD LYS A 102 5.002 -13.701 -9.229 1.00 0.00 C ATOM 1481 CE LYS A 102 5.256 -15.215 -9.180 1.00 0.00 C ATOM 1482 NZ LYS A 102 6.446 -15.531 -8.357 1.00 0.00 N ATOM 0 H LYS A 102 4.033 -10.066 -11.907 1.00 0.00 H new ATOM 0 HA LYS A 102 2.258 -12.451 -11.737 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.098 -11.212 -9.777 1.00 0.00 H new ATOM 0 HB3 LYS A 102 2.562 -11.808 -9.180 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.978 -14.019 -9.863 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.063 -13.532 -11.150 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.891 -13.198 -9.610 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.834 -13.330 -8.218 1.00 0.00 H new ATOM 0 HE2 LYS A 102 4.382 -15.720 -8.769 1.00 0.00 H new ATOM 0 HE3 LYS A 102 5.398 -15.596 -10.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 6.594 -16.560 -8.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 7.283 -15.067 -8.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 6.298 -15.188 -7.386 1.00 0.00 H new ATOM 1496 N TRP A 103 0.178 -11.015 -11.350 1.00 0.00 N ATOM 1497 CA TRP A 103 -0.988 -10.184 -11.135 1.00 0.00 C ATOM 1498 C TRP A 103 -1.460 -10.599 -9.746 1.00 0.00 C ATOM 1499 O TRP A 103 -1.978 -11.687 -9.487 1.00 0.00 O ATOM 1500 CB TRP A 103 -2.057 -10.394 -12.243 1.00 0.00 C ATOM 1501 CG TRP A 103 -1.776 -9.682 -13.569 1.00 0.00 C ATOM 1502 CD1 TRP A 103 -1.422 -10.206 -14.782 1.00 0.00 C ATOM 1503 CD2 TRP A 103 -2.042 -8.282 -13.801 1.00 0.00 C ATOM 1504 NE1 TRP A 103 -1.504 -9.234 -15.762 1.00 0.00 N ATOM 1505 CE2 TRP A 103 -1.911 -8.057 -15.170 1.00 0.00 C ATOM 1506 CE3 TRP A 103 -2.405 -7.275 -12.952 1.00 0.00 C ATOM 1507 CZ2 TRP A 103 -2.205 -6.835 -15.710 1.00 0.00 C ATOM 1508 CZ3 TRP A 103 -2.705 -6.039 -13.495 1.00 0.00 C ATOM 1509 CH2 TRP A 103 -2.628 -5.831 -14.859 1.00 0.00 C ATOM 0 H TRP A 103 -0.036 -11.969 -11.641 1.00 0.00 H new ATOM 0 HA TRP A 103 -0.779 -9.116 -11.189 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -2.150 -11.463 -12.436 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -3.021 -10.053 -11.864 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -1.122 -11.230 -14.950 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -1.299 -9.365 -16.752 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -2.456 -7.440 -11.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -2.109 -6.660 -16.771 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -3.002 -5.228 -12.847 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -2.903 -4.869 -15.266 1.00 0.00 H new ATOM 1520 N TYR A 104 -1.166 -9.686 -8.815 1.00 0.00 N ATOM 1521 CA TYR A 104 -1.286 -9.855 -7.384 1.00 0.00 C ATOM 1522 C TYR A 104 -2.259 -8.849 -6.828 1.00 0.00 C ATOM 1523 O TYR A 104 -1.987 -7.659 -6.923 1.00 0.00 O ATOM 1524 CB TYR A 104 0.103 -9.483 -6.741 1.00 0.00 C ATOM 1525 CG TYR A 104 1.184 -10.544 -6.677 1.00 0.00 C ATOM 1526 CD1 TYR A 104 0.956 -11.896 -6.459 1.00 0.00 C ATOM 1527 CD2 TYR A 104 2.492 -10.098 -6.600 1.00 0.00 C ATOM 1528 CE1 TYR A 104 1.998 -12.736 -6.086 1.00 0.00 C ATOM 1529 CE2 TYR A 104 3.534 -10.934 -6.266 1.00 0.00 C ATOM 1530 CZ TYR A 104 3.286 -12.249 -5.955 1.00 0.00 C ATOM 1531 OH TYR A 104 4.347 -13.045 -5.456 1.00 0.00 O ATOM 0 H TYR A 104 -0.819 -8.760 -9.066 1.00 0.00 H new ATOM 0 HA TYR A 104 -1.605 -10.876 -7.172 1.00 0.00 H new ATOM 0 HB2 TYR A 104 0.506 -8.634 -7.293 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -0.085 -9.141 -5.723 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -0.039 -12.298 -6.580 1.00 0.00 H new ATOM 0 HD2 TYR A 104 2.702 -9.059 -6.809 1.00 0.00 H new ATOM 0 HE1 TYR A 104 1.800 -13.781 -5.896 1.00 0.00 H new ATOM 0 HE2 TYR A 104 4.546 -10.556 -6.249 1.00 0.00 H new ATOM 0 HH TYR A 104 5.201 -12.594 -5.623 1.00 0.00 H new ATOM 1541 N LYS A 105 -3.360 -9.248 -6.104 1.00 0.00 N ATOM 1542 CA LYS A 105 -4.212 -8.401 -5.287 1.00 0.00 C ATOM 1543 C LYS A 105 -3.409 -7.838 -4.117 1.00 0.00 C ATOM 1544 O LYS A 105 -2.515 -8.522 -3.618 1.00 0.00 O ATOM 1545 CB LYS A 105 -5.396 -9.228 -4.692 1.00 0.00 C ATOM 1546 CG LYS A 105 -6.053 -10.241 -5.646 1.00 0.00 C ATOM 1547 CD LYS A 105 -7.321 -10.846 -5.020 1.00 0.00 C ATOM 1548 CE LYS A 105 -8.030 -11.836 -5.953 1.00 0.00 C ATOM 1549 NZ LYS A 105 -9.256 -12.374 -5.321 1.00 0.00 N ATOM 0 H LYS A 105 -3.666 -10.221 -6.095 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.594 -7.599 -5.918 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.034 -9.765 -3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.162 -8.533 -4.347 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.306 -9.750 -6.586 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.345 -11.036 -5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -7.056 -11.354 -4.093 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.010 -10.043 -4.758 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -8.287 -11.340 -6.889 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.355 -12.655 -6.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.718 -13.041 -5.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.005 -12.867 -4.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.908 -11.592 -5.107 1.00 0.00 H new ATOM 1563 N ARG A 106 -3.670 -6.574 -3.697 1.00 0.00 N ATOM 1564 CA ARG A 106 -2.867 -5.684 -2.839 1.00 0.00 C ATOM 1565 C ARG A 106 -1.979 -6.297 -1.766 1.00 0.00 C ATOM 1566 O ARG A 106 -0.786 -6.055 -1.738 1.00 0.00 O ATOM 1567 CB ARG A 106 -3.786 -4.600 -2.197 1.00 0.00 C ATOM 1568 CG ARG A 106 -3.121 -3.305 -1.679 1.00 0.00 C ATOM 1569 CD ARG A 106 -2.611 -2.302 -2.740 1.00 0.00 C ATOM 1570 NE ARG A 106 -1.448 -2.805 -3.560 1.00 0.00 N ATOM 1571 CZ ARG A 106 -0.178 -3.010 -3.084 1.00 0.00 C ATOM 1572 NH1 ARG A 106 0.096 -3.004 -1.748 1.00 0.00 N ATOM 1573 NH2 ARG A 106 0.844 -3.182 -3.971 1.00 0.00 N ATOM 0 H ARG A 106 -4.534 -6.113 -3.982 1.00 0.00 H new ATOM 0 HA ARG A 106 -2.143 -5.274 -3.543 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.537 -4.318 -2.935 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.315 -5.061 -1.363 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -3.838 -2.788 -1.042 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -2.279 -3.587 -1.047 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -3.433 -2.052 -3.411 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.316 -1.380 -2.239 1.00 0.00 H new ATOM 0 HE ARG A 106 -1.620 -3.008 -4.545 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.653 -2.844 -1.074 1.00 0.00 H new ATOM 0 HH12 ARG A 106 1.050 -3.159 -1.422 1.00 0.00 H new ATOM 0 HH21 ARG A 106 0.659 -3.157 -4.974 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.794 -3.335 -3.632 1.00 0.00 H new ATOM 1587 N MET A 107 -2.522 -7.238 -0.966 1.00 0.00 N ATOM 1588 CA MET A 107 -1.860 -8.030 0.073 1.00 0.00 C ATOM 1589 C MET A 107 -0.700 -8.953 -0.352 1.00 0.00 C ATOM 1590 O MET A 107 0.048 -9.424 0.503 1.00 0.00 O ATOM 1591 CB MET A 107 -2.920 -8.751 0.961 1.00 0.00 C ATOM 1592 CG MET A 107 -3.836 -9.749 0.223 1.00 0.00 C ATOM 1593 SD MET A 107 -5.320 -10.138 1.210 1.00 0.00 S ATOM 1594 CE MET A 107 -6.323 -10.907 -0.092 1.00 0.00 C ATOM 0 H MET A 107 -3.511 -7.477 -1.041 1.00 0.00 H new ATOM 0 HA MET A 107 -1.320 -7.290 0.664 1.00 0.00 H new ATOM 0 HB2 MET A 107 -2.400 -9.283 1.758 1.00 0.00 H new ATOM 0 HB3 MET A 107 -3.544 -7.995 1.437 1.00 0.00 H new ATOM 0 HG2 MET A 107 -4.135 -9.330 -0.738 1.00 0.00 H new ATOM 0 HG3 MET A 107 -3.285 -10.666 0.013 1.00 0.00 H new ATOM 0 HE1 MET A 107 -7.283 -11.216 0.323 1.00 0.00 H new ATOM 0 HE2 MET A 107 -6.489 -10.189 -0.895 1.00 0.00 H new ATOM 0 HE3 MET A 107 -5.801 -11.779 -0.487 1.00 0.00 H new ATOM 1604 N ALA A 108 -0.477 -9.185 -1.683 1.00 0.00 N ATOM 1605 CA ALA A 108 0.649 -9.965 -2.212 1.00 0.00 C ATOM 1606 C ALA A 108 1.889 -9.200 -2.632 1.00 0.00 C ATOM 1607 O ALA A 108 2.916 -9.778 -2.980 1.00 0.00 O ATOM 1608 CB ALA A 108 0.197 -10.931 -3.341 1.00 0.00 C ATOM 0 H ALA A 108 -1.091 -8.824 -2.413 1.00 0.00 H new ATOM 0 HA ALA A 108 0.975 -10.527 -1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.058 -11.491 -3.707 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.547 -11.625 -2.950 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -0.237 -10.356 -4.159 1.00 0.00 H new ATOM 1614 N VAL A 109 1.797 -7.871 -2.594 1.00 0.00 N ATOM 1615 CA VAL A 109 2.784 -6.851 -2.772 1.00 0.00 C ATOM 1616 C VAL A 109 2.731 -5.963 -1.568 1.00 0.00 C ATOM 1617 O VAL A 109 1.688 -5.523 -1.099 1.00 0.00 O ATOM 1618 CB VAL A 109 2.760 -6.109 -4.100 1.00 0.00 C ATOM 1619 CG1 VAL A 109 3.952 -6.688 -4.868 1.00 0.00 C ATOM 1620 CG2 VAL A 109 1.384 -6.258 -4.798 1.00 0.00 C ATOM 0 H VAL A 109 0.889 -7.444 -2.410 1.00 0.00 H new ATOM 0 HA VAL A 109 3.758 -7.334 -2.845 1.00 0.00 H new ATOM 0 HB VAL A 109 2.865 -5.028 -4.011 1.00 0.00 H new ATOM 0 HG11 VAL A 109 4.020 -6.213 -5.847 1.00 0.00 H new ATOM 0 HG12 VAL A 109 4.870 -6.502 -4.310 1.00 0.00 H new ATOM 0 HG13 VAL A 109 3.816 -7.762 -4.995 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.396 -5.718 -5.745 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.183 -7.313 -4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.604 -5.848 -4.156 1.00 0.00 H new ATOM 1630 N ILE A 110 3.894 -5.659 -1.022 1.00 0.00 N ATOM 1631 CA ILE A 110 4.047 -4.759 0.123 1.00 0.00 C ATOM 1632 C ILE A 110 5.279 -3.862 -0.041 1.00 0.00 C ATOM 1633 O ILE A 110 5.916 -3.850 -1.095 1.00 0.00 O ATOM 1634 CB ILE A 110 3.986 -5.458 1.483 1.00 0.00 C ATOM 1635 CG1 ILE A 110 5.049 -6.556 1.696 1.00 0.00 C ATOM 1636 CG2 ILE A 110 2.578 -6.038 1.779 1.00 0.00 C ATOM 1637 CD1 ILE A 110 6.255 -6.143 2.530 1.00 0.00 C ATOM 0 H ILE A 110 4.779 -6.034 -1.363 1.00 0.00 H new ATOM 0 HA ILE A 110 3.170 -4.112 0.123 1.00 0.00 H new ATOM 0 HB ILE A 110 4.213 -4.662 2.192 1.00 0.00 H new ATOM 0 HG12 ILE A 110 4.573 -7.411 2.175 1.00 0.00 H new ATOM 0 HG13 ILE A 110 5.401 -6.892 0.721 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.583 -6.525 2.754 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.845 -5.231 1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.316 -6.766 1.012 1.00 0.00 H new ATOM 0 HD11 ILE A 110 6.941 -6.985 2.620 1.00 0.00 H new ATOM 0 HD12 ILE A 110 6.764 -5.310 2.045 1.00 0.00 H new ATOM 0 HD13 ILE A 110 5.924 -5.838 3.523 1.00 0.00 H new ATOM 1649 N LEU A 111 5.649 -3.076 1.021 1.00 0.00 N ATOM 1650 CA LEU A 111 6.803 -2.176 1.002 1.00 0.00 C ATOM 1651 C LEU A 111 7.512 -1.970 2.341 1.00 0.00 C ATOM 1652 O LEU A 111 6.890 -2.020 3.398 1.00 0.00 O ATOM 1653 CB LEU A 111 6.403 -0.797 0.438 1.00 0.00 C ATOM 1654 CG LEU A 111 5.483 0.077 1.311 1.00 0.00 C ATOM 1655 CD1 LEU A 111 5.210 1.345 0.536 1.00 0.00 C ATOM 1656 CD2 LEU A 111 4.155 -0.570 1.699 1.00 0.00 C ATOM 0 H LEU A 111 5.141 -3.065 1.905 1.00 0.00 H new ATOM 0 HA LEU A 111 7.521 -2.685 0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 111 7.316 -0.235 0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 111 5.910 -0.954 -0.522 1.00 0.00 H new ATOM 0 HG LEU A 111 6.000 0.251 2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.559 1.996 1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 111 6.150 1.858 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.723 1.097 -0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.578 0.122 2.312 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.591 -0.813 0.798 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.346 -1.482 2.264 1.00 0.00 H new ATOM 1668 N SER A 112 8.842 -1.678 2.275 1.00 0.00 N ATOM 1669 CA SER A 112 9.829 -1.363 3.313 1.00 0.00 C ATOM 1670 C SER A 112 9.798 0.131 3.695 1.00 0.00 C ATOM 1671 O SER A 112 9.356 0.935 2.869 1.00 0.00 O ATOM 1672 CB SER A 112 11.228 -1.711 2.691 1.00 0.00 C ATOM 1673 OG SER A 112 11.340 -1.233 1.336 1.00 0.00 O ATOM 0 H SER A 112 9.293 -1.660 1.360 1.00 0.00 H new ATOM 0 HA SER A 112 9.619 -1.928 4.221 1.00 0.00 H new ATOM 0 HB2 SER A 112 12.017 -1.270 3.300 1.00 0.00 H new ATOM 0 HB3 SER A 112 11.377 -2.791 2.710 1.00 0.00 H new ATOM 0 HG SER A 112 12.223 -1.465 0.979 1.00 0.00 H new ATOM 1679 N LEU A 113 10.303 0.631 4.898 1.00 0.00 N ATOM 1680 CA LEU A 113 10.311 2.107 5.145 1.00 0.00 C ATOM 1681 C LEU A 113 11.132 2.953 4.167 1.00 0.00 C ATOM 1682 O LEU A 113 10.779 4.096 3.973 1.00 0.00 O ATOM 1683 CB LEU A 113 10.495 2.858 6.531 1.00 0.00 C ATOM 1684 CG LEU A 113 10.326 2.203 7.928 1.00 0.00 C ATOM 1685 CD1 LEU A 113 9.027 1.431 8.165 1.00 0.00 C ATOM 1686 CD2 LEU A 113 11.550 1.388 8.356 1.00 0.00 C ATOM 0 H LEU A 113 10.682 0.061 5.654 1.00 0.00 H new ATOM 0 HA LEU A 113 9.229 2.041 5.028 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.503 3.273 6.515 1.00 0.00 H new ATOM 0 HB3 LEU A 113 9.803 3.700 6.509 1.00 0.00 H new ATOM 0 HG LEU A 113 10.243 3.069 8.584 1.00 0.00 H new ATOM 0 HD11 LEU A 113 9.027 1.021 9.175 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.177 2.103 8.046 1.00 0.00 H new ATOM 0 HD13 LEU A 113 8.950 0.618 7.443 1.00 0.00 H new ATOM 0 HD21 LEU A 113 11.373 0.955 9.340 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.726 0.590 7.635 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.424 2.038 8.398 1.00 0.00 H new ATOM 1698 N GLU A 114 12.212 2.476 3.502 1.00 0.00 N ATOM 1699 CA GLU A 114 12.911 3.303 2.499 1.00 0.00 C ATOM 1700 C GLU A 114 12.358 3.255 1.084 1.00 0.00 C ATOM 1701 O GLU A 114 12.654 4.129 0.278 1.00 0.00 O ATOM 1702 CB GLU A 114 14.446 3.412 2.628 1.00 0.00 C ATOM 1703 CG GLU A 114 14.781 4.794 3.242 1.00 0.00 C ATOM 1704 CD GLU A 114 16.291 4.980 3.339 1.00 0.00 C ATOM 1705 OE1 GLU A 114 16.956 5.009 2.269 1.00 0.00 O ATOM 1706 OE2 GLU A 114 16.802 5.099 4.485 1.00 0.00 O ATOM 0 H GLU A 114 12.607 1.546 3.639 1.00 0.00 H new ATOM 0 HA GLU A 114 12.611 4.301 2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.833 2.612 3.259 1.00 0.00 H new ATOM 0 HB3 GLU A 114 14.918 3.305 1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 114 14.349 5.586 2.630 1.00 0.00 H new ATOM 0 HG3 GLU A 114 14.333 4.877 4.232 1.00 0.00 H new ATOM 1713 N GLN A 115 11.427 2.305 0.779 1.00 0.00 N ATOM 1714 CA GLN A 115 10.580 2.357 -0.423 1.00 0.00 C ATOM 1715 C GLN A 115 9.321 3.176 -0.124 1.00 0.00 C ATOM 1716 O GLN A 115 8.805 3.866 -0.988 1.00 0.00 O ATOM 1717 CB GLN A 115 10.203 0.998 -1.075 1.00 0.00 C ATOM 1718 CG GLN A 115 10.651 0.951 -2.556 1.00 0.00 C ATOM 1719 CD GLN A 115 12.117 0.519 -2.715 1.00 0.00 C ATOM 1720 OE1 GLN A 115 12.818 0.197 -1.756 1.00 0.00 O ATOM 1721 NE2 GLN A 115 12.546 0.419 -3.993 1.00 0.00 N ATOM 0 H GLN A 115 11.253 1.489 1.366 1.00 0.00 H new ATOM 0 HA GLN A 115 11.203 2.835 -1.178 1.00 0.00 H new ATOM 0 HB2 GLN A 115 10.672 0.183 -0.523 1.00 0.00 H new ATOM 0 HB3 GLN A 115 9.125 0.847 -1.012 1.00 0.00 H new ATOM 0 HG2 GLN A 115 10.011 0.260 -3.104 1.00 0.00 H new ATOM 0 HG3 GLN A 115 10.515 1.935 -3.005 1.00 0.00 H new ATOM 0 HE21 GLN A 115 11.933 0.697 -4.760 1.00 0.00 H new ATOM 0 HE22 GLN A 115 13.482 0.066 -4.191 1.00 0.00 H new ATOM 1730 N GLY A 116 8.832 3.157 1.137 1.00 0.00 N ATOM 1731 CA GLY A 116 7.757 3.968 1.671 1.00 0.00 C ATOM 1732 C GLY A 116 8.030 5.407 2.088 1.00 0.00 C ATOM 1733 O GLY A 116 7.274 6.302 1.743 1.00 0.00 O ATOM 0 H GLY A 116 9.216 2.527 1.841 1.00 0.00 H new ATOM 0 HA2 GLY A 116 6.965 3.991 0.923 1.00 0.00 H new ATOM 0 HA3 GLY A 116 7.358 3.447 2.542 1.00 0.00 H new ATOM 1737 N ASN A 117 9.122 5.716 2.843 1.00 0.00 N ATOM 1738 CA ASN A 117 9.504 7.062 3.329 1.00 0.00 C ATOM 1739 C ASN A 117 10.116 7.918 2.251 1.00 0.00 C ATOM 1740 O ASN A 117 10.088 9.143 2.301 1.00 0.00 O ATOM 1741 CB ASN A 117 10.430 7.165 4.570 1.00 0.00 C ATOM 1742 CG ASN A 117 9.795 6.455 5.762 1.00 0.00 C ATOM 1743 OD1 ASN A 117 8.590 6.189 5.781 1.00 0.00 O ATOM 1744 ND2 ASN A 117 10.621 6.199 6.803 1.00 0.00 N ATOM 0 H ASN A 117 9.784 4.999 3.139 1.00 0.00 H new ATOM 0 HA ASN A 117 8.526 7.422 3.649 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.400 6.720 4.347 1.00 0.00 H new ATOM 0 HB3 ASN A 117 10.608 8.212 4.814 1.00 0.00 H new ATOM 0 HD21 ASN A 117 10.254 5.768 7.651 1.00 0.00 H new ATOM 0 HD22 ASN A 117 11.611 6.437 6.739 1.00 0.00 H new ATOM 1751 N ARG A 118 10.602 7.273 1.155 1.00 0.00 N ATOM 1752 CA ARG A 118 11.067 7.940 -0.051 1.00 0.00 C ATOM 1753 C ARG A 118 9.886 8.610 -0.792 1.00 0.00 C ATOM 1754 O ARG A 118 10.045 9.577 -1.522 1.00 0.00 O ATOM 1755 CB ARG A 118 11.753 6.966 -1.038 1.00 0.00 C ATOM 1756 CG ARG A 118 10.795 5.959 -1.706 1.00 0.00 C ATOM 1757 CD ARG A 118 10.581 6.133 -3.221 1.00 0.00 C ATOM 1758 NE ARG A 118 11.853 5.761 -3.932 1.00 0.00 N ATOM 1759 CZ ARG A 118 11.919 5.529 -5.281 1.00 0.00 C ATOM 1760 NH1 ARG A 118 10.816 5.669 -6.070 1.00 0.00 N ATOM 1761 NH2 ARG A 118 13.105 5.148 -5.839 1.00 0.00 N ATOM 0 H ARG A 118 10.675 6.257 1.104 1.00 0.00 H new ATOM 0 HA ARG A 118 11.794 8.684 0.276 1.00 0.00 H new ATOM 0 HB2 ARG A 118 12.251 7.546 -1.815 1.00 0.00 H new ATOM 0 HB3 ARG A 118 12.528 6.414 -0.506 1.00 0.00 H new ATOM 0 HG2 ARG A 118 11.174 4.953 -1.526 1.00 0.00 H new ATOM 0 HG3 ARG A 118 9.826 6.028 -1.212 1.00 0.00 H new ATOM 0 HD2 ARG A 118 9.759 5.503 -3.562 1.00 0.00 H new ATOM 0 HD3 ARG A 118 10.308 7.163 -3.448 1.00 0.00 H new ATOM 0 HE ARG A 118 12.709 5.677 -3.383 1.00 0.00 H new ATOM 0 HH11 ARG A 118 9.926 5.950 -5.658 1.00 0.00 H new ATOM 0 HH12 ARG A 118 10.880 5.493 -7.073 1.00 0.00 H new ATOM 0 HH21 ARG A 118 13.932 5.038 -5.253 1.00 0.00 H new ATOM 0 HH22 ARG A 118 13.164 4.973 -6.842 1.00 0.00 H new ATOM 1775 N LEU A 119 8.659 8.029 -0.569 1.00 0.00 N ATOM 1776 CA LEU A 119 7.335 8.367 -1.064 1.00 0.00 C ATOM 1777 C LEU A 119 6.662 9.351 -0.177 1.00 0.00 C ATOM 1778 O LEU A 119 5.918 10.208 -0.653 1.00 0.00 O ATOM 1779 CB LEU A 119 6.391 7.123 -1.104 1.00 0.00 C ATOM 1780 CG LEU A 119 5.194 7.297 -2.041 1.00 0.00 C ATOM 1781 CD1 LEU A 119 4.806 6.000 -2.698 1.00 0.00 C ATOM 1782 CD2 LEU A 119 3.924 7.705 -1.335 1.00 0.00 C ATOM 0 H LEU A 119 8.602 7.214 0.042 1.00 0.00 H new ATOM 0 HA LEU A 119 7.495 8.769 -2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 119 6.965 6.251 -1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 119 6.028 6.920 -0.097 1.00 0.00 H new ATOM 0 HG LEU A 119 5.537 8.061 -2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 119 3.952 6.166 -3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 119 5.645 5.623 -3.282 1.00 0.00 H new ATOM 0 HD13 LEU A 119 4.539 5.271 -1.933 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.120 7.809 -2.064 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.654 6.944 -0.603 1.00 0.00 H new ATOM 0 HD23 LEU A 119 4.079 8.657 -0.828 1.00 0.00 H new ATOM 1794 N ARG A 120 6.848 9.215 1.164 1.00 0.00 N ATOM 1795 CA ARG A 120 6.099 9.898 2.208 1.00 0.00 C ATOM 1796 C ARG A 120 5.887 11.409 2.160 1.00 0.00 C ATOM 1797 O ARG A 120 4.884 11.949 2.610 1.00 0.00 O ATOM 1798 CB ARG A 120 6.625 9.518 3.667 1.00 0.00 C ATOM 1799 CG ARG A 120 7.754 10.380 4.292 1.00 0.00 C ATOM 1800 CD ARG A 120 8.080 9.984 5.745 1.00 0.00 C ATOM 1801 NE ARG A 120 6.940 10.423 6.634 1.00 0.00 N ATOM 1802 CZ ARG A 120 6.327 9.636 7.573 1.00 0.00 C ATOM 1803 NH1 ARG A 120 6.701 8.339 7.765 1.00 0.00 N ATOM 1804 NH2 ARG A 120 5.318 10.165 8.325 1.00 0.00 N ATOM 0 H ARG A 120 7.562 8.593 1.544 1.00 0.00 H new ATOM 0 HA ARG A 120 5.110 9.502 1.977 1.00 0.00 H new ATOM 0 HB2 ARG A 120 5.772 9.546 4.345 1.00 0.00 H new ATOM 0 HB3 ARG A 120 6.974 8.486 3.636 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.654 10.285 3.685 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.460 11.429 4.265 1.00 0.00 H new ATOM 0 HD2 ARG A 120 8.224 8.906 5.820 1.00 0.00 H new ATOM 0 HD3 ARG A 120 9.011 10.453 6.065 1.00 0.00 H new ATOM 0 HE ARG A 120 6.601 11.379 6.527 1.00 0.00 H new ATOM 0 HH11 ARG A 120 7.451 7.936 7.204 1.00 0.00 H new ATOM 0 HH12 ARG A 120 6.230 7.772 8.470 1.00 0.00 H new ATOM 0 HH21 ARG A 120 5.030 11.133 8.184 1.00 0.00 H new ATOM 0 HH22 ARG A 120 4.852 9.592 9.028 1.00 0.00 H new ATOM 1818 N GLU A 121 6.892 12.078 1.566 1.00 0.00 N ATOM 1819 CA GLU A 121 7.073 13.480 1.313 1.00 0.00 C ATOM 1820 C GLU A 121 6.593 13.898 -0.088 1.00 0.00 C ATOM 1821 O GLU A 121 6.307 15.071 -0.314 1.00 0.00 O ATOM 1822 CB GLU A 121 8.592 13.769 1.540 1.00 0.00 C ATOM 1823 CG GLU A 121 9.546 12.614 1.123 1.00 0.00 C ATOM 1824 CD GLU A 121 10.998 13.085 1.225 1.00 0.00 C ATOM 1825 OE1 GLU A 121 11.368 14.033 0.482 1.00 0.00 O ATOM 1826 OE2 GLU A 121 11.757 12.499 2.043 1.00 0.00 O ATOM 0 H GLU A 121 7.694 11.556 1.213 1.00 0.00 H new ATOM 0 HA GLU A 121 6.460 14.076 1.989 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.864 14.665 0.982 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.751 13.990 2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 121 9.388 11.748 1.766 1.00 0.00 H new ATOM 0 HG3 GLU A 121 9.327 12.298 0.103 1.00 0.00 H new ATOM 1833 N GLN A 122 6.510 12.944 -1.065 1.00 0.00 N ATOM 1834 CA GLN A 122 6.109 13.165 -2.451 1.00 0.00 C ATOM 1835 C GLN A 122 4.703 12.685 -2.799 1.00 0.00 C ATOM 1836 O GLN A 122 3.997 13.418 -3.492 1.00 0.00 O ATOM 1837 CB GLN A 122 7.150 12.663 -3.530 1.00 0.00 C ATOM 1838 CG GLN A 122 7.806 11.264 -3.352 1.00 0.00 C ATOM 1839 CD GLN A 122 8.889 11.021 -4.434 1.00 0.00 C ATOM 1840 OE1 GLN A 122 8.772 11.456 -5.584 1.00 0.00 O ATOM 1841 NE2 GLN A 122 9.980 10.297 -4.085 1.00 0.00 N ATOM 0 H GLN A 122 6.734 11.967 -0.879 1.00 0.00 H new ATOM 0 HA GLN A 122 6.093 14.254 -2.505 1.00 0.00 H new ATOM 0 HB2 GLN A 122 6.650 12.671 -4.498 1.00 0.00 H new ATOM 0 HB3 GLN A 122 7.953 13.399 -3.580 1.00 0.00 H new ATOM 0 HG2 GLN A 122 8.253 11.191 -2.361 1.00 0.00 H new ATOM 0 HG3 GLN A 122 7.042 10.489 -3.415 1.00 0.00 H new ATOM 0 HE21 GLN A 122 10.072 9.940 -3.134 1.00 0.00 H new ATOM 0 HE22 GLN A 122 10.709 10.109 -4.773 1.00 0.00 H new ATOM 1850 N TYR A 123 4.254 11.444 -2.410 1.00 0.00 N ATOM 1851 CA TYR A 123 2.966 10.965 -2.967 1.00 0.00 C ATOM 1852 C TYR A 123 1.953 10.414 -1.990 1.00 0.00 C ATOM 1853 O TYR A 123 1.000 9.800 -2.463 1.00 0.00 O ATOM 1854 CB TYR A 123 3.110 9.856 -4.087 1.00 0.00 C ATOM 1855 CG TYR A 123 4.133 10.193 -5.123 1.00 0.00 C ATOM 1856 CD1 TYR A 123 4.091 11.373 -5.840 1.00 0.00 C ATOM 1857 CD2 TYR A 123 5.182 9.324 -5.335 1.00 0.00 C ATOM 1858 CE1 TYR A 123 5.118 11.706 -6.697 1.00 0.00 C ATOM 1859 CE2 TYR A 123 6.199 9.646 -6.198 1.00 0.00 C ATOM 1860 CZ TYR A 123 6.164 10.835 -6.894 1.00 0.00 C ATOM 1861 OH TYR A 123 7.268 11.240 -7.669 1.00 0.00 O ATOM 0 H TYR A 123 4.729 10.812 -1.766 1.00 0.00 H new ATOM 0 HA TYR A 123 2.598 11.910 -3.367 1.00 0.00 H new ATOM 0 HB2 TYR A 123 3.376 8.908 -3.618 1.00 0.00 H new ATOM 0 HB3 TYR A 123 2.145 9.712 -4.572 1.00 0.00 H new ATOM 0 HD1 TYR A 123 3.248 12.039 -5.728 1.00 0.00 H new ATOM 0 HD2 TYR A 123 5.204 8.378 -4.815 1.00 0.00 H new ATOM 0 HE1 TYR A 123 5.101 12.653 -7.215 1.00 0.00 H new ATOM 0 HE2 TYR A 123 7.028 8.967 -6.332 1.00 0.00 H new ATOM 0 HH TYR A 123 8.077 11.233 -7.115 1.00 0.00 H new ATOM 1871 N GLY A 124 2.064 10.498 -0.629 1.00 0.00 N ATOM 1872 CA GLY A 124 1.059 9.751 0.072 1.00 0.00 C ATOM 1873 C GLY A 124 1.495 9.684 1.451 1.00 0.00 C ATOM 1874 O GLY A 124 0.902 10.321 2.309 1.00 0.00 O ATOM 0 H GLY A 124 2.755 11.012 -0.083 1.00 0.00 H new ATOM 0 HA2 GLY A 124 0.087 10.238 -0.006 1.00 0.00 H new ATOM 0 HA3 GLY A 124 0.950 8.752 -0.351 1.00 0.00 H new ATOM 1878 N LEU A 125 2.553 8.867 1.676 1.00 0.00 N ATOM 1879 CA LEU A 125 3.059 8.286 2.920 1.00 0.00 C ATOM 1880 C LEU A 125 3.308 9.110 4.185 1.00 0.00 C ATOM 1881 O LEU A 125 3.795 8.597 5.189 1.00 0.00 O ATOM 1882 CB LEU A 125 4.104 7.177 2.602 1.00 0.00 C ATOM 1883 CG LEU A 125 3.865 5.749 3.134 1.00 0.00 C ATOM 1884 CD1 LEU A 125 2.933 5.590 4.366 1.00 0.00 C ATOM 1885 CD2 LEU A 125 3.515 4.975 1.868 1.00 0.00 C ATOM 0 H LEU A 125 3.132 8.572 0.890 1.00 0.00 H new ATOM 0 HA LEU A 125 2.146 7.869 3.346 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.196 7.113 1.518 1.00 0.00 H new ATOM 0 HB3 LEU A 125 5.068 7.514 2.984 1.00 0.00 H new ATOM 0 HG LEU A 125 4.744 5.338 3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 125 2.856 4.535 4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 125 3.345 6.146 5.208 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.943 5.977 4.126 1.00 0.00 H new ATOM 0 HD21 LEU A 125 3.321 3.933 2.121 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.626 5.409 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 125 4.347 5.030 1.166 1.00 0.00 H new ATOM 1897 N GLY A 126 2.796 10.362 4.225 1.00 0.00 N ATOM 1898 CA GLY A 126 2.562 10.972 5.540 1.00 0.00 C ATOM 1899 C GLY A 126 2.033 12.382 5.580 1.00 0.00 C ATOM 1900 O GLY A 126 2.881 13.267 5.577 1.00 0.00 O ATOM 0 H GLY A 126 2.553 10.933 3.416 1.00 0.00 H new ATOM 0 HA2 GLY A 126 1.862 10.337 6.083 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.503 10.952 6.090 1.00 0.00 H new ATOM 1904 N PRO A 127 0.730 12.770 5.686 1.00 0.00 N ATOM 1905 CA PRO A 127 0.331 14.188 5.744 1.00 0.00 C ATOM 1906 C PRO A 127 0.491 14.809 7.153 1.00 0.00 C ATOM 1907 O PRO A 127 0.409 16.026 7.284 1.00 0.00 O ATOM 1908 CB PRO A 127 -1.134 14.139 5.274 1.00 0.00 C ATOM 1909 CG PRO A 127 -1.669 12.821 5.838 1.00 0.00 C ATOM 1910 CD PRO A 127 -0.442 11.882 5.738 1.00 0.00 C ATOM 0 HA PRO A 127 0.959 14.832 5.129 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -1.701 14.991 5.649 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -1.204 14.164 4.187 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -2.012 12.931 6.867 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -2.513 12.446 5.259 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -0.389 11.213 6.597 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -0.499 11.255 4.848 1.00 0.00 H new