USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 403 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 NoAdj-H: B 50 LYS HZ1 : B 50 LYS NZ : A 132 GLY C :(NH2R) USER MOD NoAdj-H: B 50 LYS HZ3 : B 50 LYS NZ : A 132 GLY C :(NH2R) USER MOD Set 1.1: A 122 GLN : amide:sc= 0.503 K(o=0.96,f=-2.3) USER MOD Set 1.2: A 123 GLN : amide:sc= 0.461 K(o=0.96,f=-0.046) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -0.343 K(o=-0.34,f=-3.2!) USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot -42:sc= 0.984 USER MOD Single : A 121 THR OG1 : rot -99:sc= 1.27 USER MOD Single : A 127 THR OG1 : rot -23:sc= 0.72 USER MOD Single : A 131 TYR OH : rot 42:sc= 2.05 USER MOD Single : B 26 THR OG1 : rot 9:sc= 1.48 USER MOD Single : B 29 MET CE :methyl 162:sc= -0.129 (180deg=-0.612) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 37 HIS : no HD1:sc= -0.24 K(o=-0.24,f=-2.9!) USER MOD Single : B 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 106 -7.922 -0.835 11.444 1.00 0.00 N ATOM 2 CA ALA A 106 -9.363 -0.840 11.087 1.00 0.00 C ATOM 3 C ALA A 106 -9.871 -2.265 10.882 1.00 0.00 C ATOM 4 O ALA A 106 -10.645 -2.533 9.962 1.00 0.00 O ATOM 5 CB ALA A 106 -9.597 -0.007 9.835 1.00 0.00 C ATOM 0 HA ALA A 106 -9.921 -0.399 11.913 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -10.657 -0.018 9.583 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -9.278 1.019 10.016 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -9.023 -0.425 9.008 1.00 0.00 H new ATOM 13 N ALA A 107 -9.427 -3.174 11.747 1.00 0.00 N ATOM 14 CA ALA A 107 -9.831 -4.575 11.672 1.00 0.00 C ATOM 15 C ALA A 107 -9.484 -5.184 10.316 1.00 0.00 C ATOM 16 O ALA A 107 -10.342 -5.760 9.646 1.00 0.00 O ATOM 17 CB ALA A 107 -11.320 -4.714 11.951 1.00 0.00 C ATOM 0 H ALA A 107 -8.785 -2.964 12.511 1.00 0.00 H new ATOM 0 HA ALA A 107 -9.277 -5.122 12.435 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -11.605 -5.764 11.891 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.540 -4.335 12.949 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -11.883 -4.143 11.213 1.00 0.00 H new ATOM 23 N ALA A 108 -8.224 -5.053 9.918 1.00 0.00 N ATOM 24 CA ALA A 108 -7.764 -5.593 8.644 1.00 0.00 C ATOM 25 C ALA A 108 -7.015 -6.905 8.849 1.00 0.00 C ATOM 26 O ALA A 108 -6.760 -7.314 9.982 1.00 0.00 O ATOM 27 CB ALA A 108 -6.880 -4.581 7.930 1.00 0.00 C ATOM 0 H ALA A 108 -7.502 -4.577 10.459 1.00 0.00 H new ATOM 0 HA ALA A 108 -8.637 -5.795 8.023 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -6.544 -4.998 6.980 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -7.447 -3.669 7.746 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -6.015 -4.351 8.552 1.00 0.00 H new ATOM 33 N THR A 109 -6.667 -7.564 7.747 1.00 0.00 N ATOM 34 CA THR A 109 -5.947 -8.831 7.811 1.00 0.00 C ATOM 35 C THR A 109 -4.815 -8.883 6.789 1.00 0.00 C ATOM 36 O THR A 109 -5.059 -8.981 5.586 1.00 0.00 O ATOM 37 CB THR A 109 -6.887 -10.027 7.589 1.00 0.00 C ATOM 38 OG1 THR A 109 -6.133 -11.193 7.235 1.00 0.00 O ATOM 39 CG2 THR A 109 -7.894 -9.712 6.501 1.00 0.00 C ATOM 0 H THR A 109 -6.872 -7.242 6.801 1.00 0.00 H new ATOM 0 HA THR A 109 -5.523 -8.897 8.813 1.00 0.00 H new ATOM 0 HB THR A 109 -7.423 -10.222 8.518 1.00 0.00 H new ATOM 0 HG1 THR A 109 -6.743 -11.948 7.098 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.552 -10.568 6.356 1.00 0.00 H new ATOM 0 HG22 THR A 109 -8.486 -8.845 6.793 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.369 -9.496 5.571 1.00 0.00 H new ATOM 47 N ASN A 110 -3.578 -8.818 7.284 1.00 0.00 N ATOM 48 CA ASN A 110 -2.391 -8.853 6.429 1.00 0.00 C ATOM 49 C ASN A 110 -2.336 -7.632 5.509 1.00 0.00 C ATOM 50 O ASN A 110 -3.300 -7.333 4.810 1.00 0.00 O ATOM 51 CB ASN A 110 -2.364 -10.136 5.594 1.00 0.00 C ATOM 52 CG ASN A 110 -2.294 -11.386 6.450 1.00 0.00 C ATOM 53 OD1 ASN A 110 -2.809 -11.420 7.568 1.00 0.00 O ATOM 54 ND2 ASN A 110 -1.651 -12.424 5.926 1.00 0.00 N ATOM 0 H ASN A 110 -3.372 -8.740 8.280 1.00 0.00 H new ATOM 0 HA ASN A 110 -1.516 -8.835 7.079 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -3.256 -10.177 4.969 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -1.505 -10.111 4.923 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -1.569 -13.293 6.454 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -1.239 -12.352 4.996 1.00 0.00 H new ATOM 61 N PRO A 111 -1.198 -6.909 5.490 1.00 0.00 N ATOM 62 CA PRO A 111 -1.030 -5.714 4.652 1.00 0.00 C ATOM 63 C PRO A 111 -1.123 -6.016 3.161 1.00 0.00 C ATOM 64 O PRO A 111 -2.202 -5.944 2.577 1.00 0.00 O ATOM 65 CB PRO A 111 0.379 -5.218 5.000 1.00 0.00 C ATOM 66 CG PRO A 111 0.704 -5.858 6.303 1.00 0.00 C ATOM 67 CD PRO A 111 0.011 -7.189 6.278 1.00 0.00 C ATOM 0 HA PRO A 111 -1.817 -4.985 4.844 1.00 0.00 H new ATOM 0 HB2 PRO A 111 1.098 -5.502 4.231 1.00 0.00 H new ATOM 0 HB3 PRO A 111 0.407 -4.131 5.077 1.00 0.00 H new ATOM 0 HG2 PRO A 111 1.781 -5.978 6.424 1.00 0.00 H new ATOM 0 HG3 PRO A 111 0.355 -5.249 7.137 1.00 0.00 H new ATOM 0 HD2 PRO A 111 0.628 -7.958 5.813 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -0.232 -7.538 7.282 1.00 0.00 H new ATOM 75 N ALA A 112 0.019 -6.343 2.556 1.00 0.00 N ATOM 76 CA ALA A 112 0.092 -6.654 1.131 1.00 0.00 C ATOM 77 C ALA A 112 -1.091 -7.501 0.673 1.00 0.00 C ATOM 78 O ALA A 112 -1.656 -7.263 -0.395 1.00 0.00 O ATOM 79 CB ALA A 112 1.399 -7.363 0.819 1.00 0.00 C ATOM 0 H ALA A 112 0.916 -6.399 3.039 1.00 0.00 H new ATOM 0 HA ALA A 112 0.052 -5.712 0.584 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.444 -7.591 -0.246 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.236 -6.718 1.088 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.456 -8.289 1.391 1.00 0.00 H new ATOM 85 N ARG A 113 -1.461 -8.491 1.480 1.00 0.00 N ATOM 86 CA ARG A 113 -2.580 -9.363 1.146 1.00 0.00 C ATOM 87 C ARG A 113 -3.862 -8.547 1.003 1.00 0.00 C ATOM 88 O ARG A 113 -4.595 -8.692 0.024 1.00 0.00 O ATOM 89 CB ARG A 113 -2.755 -10.441 2.217 1.00 0.00 C ATOM 90 CG ARG A 113 -3.371 -11.729 1.692 1.00 0.00 C ATOM 91 CD ARG A 113 -2.451 -12.422 0.697 1.00 0.00 C ATOM 92 NE ARG A 113 -1.118 -12.648 1.250 1.00 0.00 N ATOM 93 CZ ARG A 113 -0.069 -13.022 0.521 1.00 0.00 C ATOM 94 NH1 ARG A 113 -0.195 -13.198 -0.788 1.00 0.00 N ATOM 95 NH2 ARG A 113 1.107 -13.214 1.102 1.00 0.00 N ATOM 0 H ARG A 113 -1.004 -8.708 2.366 1.00 0.00 H new ATOM 0 HA ARG A 113 -2.368 -9.851 0.195 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -1.783 -10.666 2.656 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -3.383 -10.048 3.017 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -3.579 -12.400 2.525 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -4.326 -11.509 1.214 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -2.888 -13.376 0.403 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -2.371 -11.816 -0.206 1.00 0.00 H new ATOM 0 HE ARG A 113 -0.983 -12.511 2.252 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -1.098 -13.047 -1.238 1.00 0.00 H new ATOM 0 HH12 ARG A 113 0.611 -13.485 -1.344 1.00 0.00 H new ATOM 0 HH21 ARG A 113 1.208 -13.075 2.107 1.00 0.00 H new ATOM 0 HH22 ARG A 113 1.911 -13.501 0.544 1.00 0.00 H new ATOM 109 N TYR A 114 -4.124 -7.688 1.985 1.00 0.00 N ATOM 110 CA TYR A 114 -5.311 -6.834 1.960 1.00 0.00 C ATOM 111 C TYR A 114 -5.195 -5.797 0.848 1.00 0.00 C ATOM 112 O TYR A 114 -6.198 -5.301 0.333 1.00 0.00 O ATOM 113 CB TYR A 114 -5.493 -6.143 3.319 1.00 0.00 C ATOM 114 CG TYR A 114 -6.363 -4.914 3.284 1.00 0.00 C ATOM 115 CD1 TYR A 114 -7.743 -5.032 3.276 1.00 0.00 C ATOM 116 CD2 TYR A 114 -5.810 -3.640 3.272 1.00 0.00 C ATOM 117 CE1 TYR A 114 -8.552 -3.920 3.254 1.00 0.00 C ATOM 118 CE2 TYR A 114 -6.615 -2.518 3.249 1.00 0.00 C ATOM 119 CZ TYR A 114 -7.986 -2.662 3.239 1.00 0.00 C ATOM 120 OH TYR A 114 -8.793 -1.549 3.219 1.00 0.00 O ATOM 0 H TYR A 114 -3.532 -7.564 2.807 1.00 0.00 H new ATOM 0 HA TYR A 114 -6.185 -7.455 1.763 1.00 0.00 H new ATOM 0 HB2 TYR A 114 -5.924 -6.857 4.021 1.00 0.00 H new ATOM 0 HB3 TYR A 114 -4.512 -5.867 3.706 1.00 0.00 H new ATOM 0 HD1 TYR A 114 -8.192 -6.014 3.287 1.00 0.00 H new ATOM 0 HD2 TYR A 114 -4.736 -3.525 3.281 1.00 0.00 H new ATOM 0 HE1 TYR A 114 -9.626 -4.031 3.248 1.00 0.00 H new ATOM 0 HE2 TYR A 114 -6.173 -1.533 3.239 1.00 0.00 H new ATOM 0 HH TYR A 114 -8.237 -0.742 3.212 1.00 0.00 H new ATOM 130 N CYS A 115 -3.959 -5.486 0.480 1.00 0.00 N ATOM 131 CA CYS A 115 -3.686 -4.508 -0.563 1.00 0.00 C ATOM 132 C CYS A 115 -3.943 -5.103 -1.943 1.00 0.00 C ATOM 133 O CYS A 115 -4.210 -4.378 -2.900 1.00 0.00 O ATOM 134 CB CYS A 115 -2.237 -4.027 -0.453 1.00 0.00 C ATOM 135 SG CYS A 115 -1.868 -3.161 1.106 1.00 0.00 S ATOM 0 H CYS A 115 -3.124 -5.901 0.893 1.00 0.00 H new ATOM 0 HA CYS A 115 -4.356 -3.659 -0.430 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -1.571 -4.885 -0.548 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -2.020 -3.361 -1.288 1.00 0.00 H new ATOM 140 N CYS A 116 -3.871 -6.425 -2.032 1.00 0.00 N ATOM 141 CA CYS A 116 -4.091 -7.121 -3.294 1.00 0.00 C ATOM 142 C CYS A 116 -5.524 -7.640 -3.392 1.00 0.00 C ATOM 143 O CYS A 116 -5.960 -8.090 -4.453 1.00 0.00 O ATOM 144 CB CYS A 116 -3.104 -8.284 -3.426 1.00 0.00 C ATOM 145 SG CYS A 116 -3.271 -9.243 -4.968 1.00 0.00 S ATOM 0 H CYS A 116 -3.662 -7.038 -1.244 1.00 0.00 H new ATOM 0 HA CYS A 116 -3.929 -6.414 -4.107 1.00 0.00 H new ATOM 0 HB2 CYS A 116 -2.089 -7.892 -3.365 1.00 0.00 H new ATOM 0 HB3 CYS A 116 -3.238 -8.956 -2.578 1.00 0.00 H new ATOM 150 N LEU A 117 -6.256 -7.571 -2.283 1.00 0.00 N ATOM 151 CA LEU A 117 -7.636 -8.044 -2.248 1.00 0.00 C ATOM 152 C LEU A 117 -8.628 -6.887 -2.310 1.00 0.00 C ATOM 153 O LEU A 117 -9.233 -6.632 -3.352 1.00 0.00 O ATOM 154 CB LEU A 117 -7.885 -8.871 -0.989 1.00 0.00 C ATOM 155 CG LEU A 117 -7.124 -10.195 -0.915 1.00 0.00 C ATOM 156 CD1 LEU A 117 -7.296 -10.829 0.456 1.00 0.00 C ATOM 157 CD2 LEU A 117 -7.597 -11.147 -2.005 1.00 0.00 C ATOM 0 H LEU A 117 -5.917 -7.193 -1.399 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.789 -8.670 -3.127 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -7.619 -8.269 -0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -8.952 -9.080 -0.917 1.00 0.00 H new ATOM 0 HG LEU A 117 -6.065 -9.992 -1.073 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -6.748 -11.771 0.493 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -6.909 -10.154 1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -8.354 -11.017 0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -7.043 -12.083 -1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -8.662 -11.344 -1.879 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -7.425 -10.696 -2.982 1.00 0.00 H new ATOM 169 N SER A 118 -8.792 -6.189 -1.190 1.00 0.00 N ATOM 170 CA SER A 118 -9.725 -5.069 -1.120 1.00 0.00 C ATOM 171 C SER A 118 -9.019 -3.739 -1.374 1.00 0.00 C ATOM 172 O SER A 118 -9.483 -2.686 -0.936 1.00 0.00 O ATOM 173 CB SER A 118 -10.417 -5.041 0.244 1.00 0.00 C ATOM 174 OG SER A 118 -11.400 -4.023 0.297 1.00 0.00 O ATOM 0 H SER A 118 -8.293 -6.378 -0.321 1.00 0.00 H new ATOM 0 HA SER A 118 -10.473 -5.209 -1.900 1.00 0.00 H new ATOM 0 HB2 SER A 118 -10.880 -6.008 0.440 1.00 0.00 H new ATOM 0 HB3 SER A 118 -9.677 -4.877 1.027 1.00 0.00 H new ATOM 0 HG SER A 118 -11.056 -3.213 -0.135 1.00 0.00 H new ATOM 180 N GLY A 119 -7.897 -3.793 -2.085 1.00 0.00 N ATOM 181 CA GLY A 119 -7.157 -2.582 -2.388 1.00 0.00 C ATOM 182 C GLY A 119 -6.419 -2.026 -1.184 1.00 0.00 C ATOM 183 O GLY A 119 -6.516 -2.561 -0.080 1.00 0.00 O ATOM 0 H GLY A 119 -7.488 -4.651 -2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -6.441 -2.789 -3.183 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -7.845 -1.827 -2.767 1.00 0.00 H new ATOM 187 N CYS A 120 -5.677 -0.947 -1.408 1.00 0.00 N ATOM 188 CA CYS A 120 -4.919 -0.290 -0.351 1.00 0.00 C ATOM 189 C CYS A 120 -4.693 1.171 -0.705 1.00 0.00 C ATOM 190 O CYS A 120 -3.992 1.485 -1.667 1.00 0.00 O ATOM 191 CB CYS A 120 -3.575 -0.988 -0.133 1.00 0.00 C ATOM 192 SG CYS A 120 -3.491 -1.979 1.393 1.00 0.00 S ATOM 0 H CYS A 120 -5.585 -0.505 -2.323 1.00 0.00 H new ATOM 0 HA CYS A 120 -5.493 -0.351 0.573 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -3.372 -1.636 -0.986 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -2.787 -0.236 -0.109 1.00 0.00 H new ATOM 197 N THR A 121 -5.288 2.063 0.076 1.00 0.00 N ATOM 198 CA THR A 121 -5.160 3.489 -0.175 1.00 0.00 C ATOM 199 C THR A 121 -3.737 3.968 0.082 1.00 0.00 C ATOM 200 O THR A 121 -2.961 3.306 0.771 1.00 0.00 O ATOM 201 CB THR A 121 -6.134 4.308 0.689 1.00 0.00 C ATOM 202 OG1 THR A 121 -5.632 4.412 2.027 1.00 0.00 O ATOM 203 CG2 THR A 121 -7.512 3.658 0.714 1.00 0.00 C ATOM 0 H THR A 121 -5.861 1.824 0.885 1.00 0.00 H new ATOM 0 HA THR A 121 -5.408 3.645 -1.225 1.00 0.00 H new ATOM 0 HB THR A 121 -6.223 5.303 0.253 1.00 0.00 H new ATOM 0 HG1 THR A 121 -6.075 3.748 2.595 1.00 0.00 H new ATOM 0 HG21 THR A 121 -8.184 4.254 1.331 1.00 0.00 H new ATOM 0 HG22 THR A 121 -7.906 3.601 -0.301 1.00 0.00 H new ATOM 0 HG23 THR A 121 -7.433 2.654 1.130 1.00 0.00 H new ATOM 211 N GLN A 122 -3.407 5.124 -0.478 1.00 0.00 N ATOM 212 CA GLN A 122 -2.081 5.707 -0.322 1.00 0.00 C ATOM 213 C GLN A 122 -1.753 5.934 1.144 1.00 0.00 C ATOM 214 O GLN A 122 -0.601 5.841 1.550 1.00 0.00 O ATOM 215 CB GLN A 122 -2.007 7.029 -1.079 1.00 0.00 C ATOM 216 CG GLN A 122 -0.677 7.746 -0.933 1.00 0.00 C ATOM 217 CD GLN A 122 -0.765 8.955 -0.023 1.00 0.00 C ATOM 218 OE1 GLN A 122 -1.585 8.999 0.893 1.00 0.00 O ATOM 219 NE2 GLN A 122 0.084 9.945 -0.271 1.00 0.00 N ATOM 0 H GLN A 122 -4.044 5.680 -1.048 1.00 0.00 H new ATOM 0 HA GLN A 122 -1.350 5.010 -0.731 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -2.194 6.842 -2.136 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -2.803 7.684 -0.725 1.00 0.00 H new ATOM 0 HG2 GLN A 122 0.065 7.052 -0.538 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -0.328 8.060 -1.916 1.00 0.00 H new ATOM 0 HE21 GLN A 122 0.748 9.867 -1.041 1.00 0.00 H new ATOM 0 HE22 GLN A 122 0.073 10.784 0.309 1.00 0.00 H new ATOM 228 N GLN A 123 -2.771 6.256 1.926 1.00 0.00 N ATOM 229 CA GLN A 123 -2.597 6.488 3.358 1.00 0.00 C ATOM 230 C GLN A 123 -2.276 5.187 4.088 1.00 0.00 C ATOM 231 O GLN A 123 -1.496 5.172 5.046 1.00 0.00 O ATOM 232 CB GLN A 123 -3.862 7.114 3.949 1.00 0.00 C ATOM 233 CG GLN A 123 -4.080 8.559 3.532 1.00 0.00 C ATOM 234 CD GLN A 123 -3.169 9.522 4.268 1.00 0.00 C ATOM 235 OE1 GLN A 123 -3.524 10.045 5.323 1.00 0.00 O ATOM 236 NE2 GLN A 123 -1.983 9.755 3.716 1.00 0.00 N ATOM 0 H GLN A 123 -3.730 6.364 1.596 1.00 0.00 H new ATOM 0 HA GLN A 123 -1.760 7.174 3.489 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -4.726 6.523 3.645 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -3.808 7.063 5.036 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -3.911 8.653 2.459 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -5.118 8.834 3.717 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -1.730 9.299 2.839 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -1.326 10.390 4.169 1.00 0.00 H new ATOM 245 N ASP A 124 -2.863 4.093 3.615 1.00 0.00 N ATOM 246 CA ASP A 124 -2.655 2.785 4.228 1.00 0.00 C ATOM 247 C ASP A 124 -1.299 2.231 3.829 1.00 0.00 C ATOM 248 O ASP A 124 -0.727 1.389 4.518 1.00 0.00 O ATOM 249 CB ASP A 124 -3.765 1.816 3.817 1.00 0.00 C ATOM 250 CG ASP A 124 -5.097 2.158 4.455 1.00 0.00 C ATOM 251 OD1 ASP A 124 -5.183 2.130 5.701 1.00 0.00 O ATOM 252 OD2 ASP A 124 -6.054 2.454 3.710 1.00 0.00 O ATOM 0 H ASP A 124 -3.487 4.086 2.808 1.00 0.00 H new ATOM 0 HA ASP A 124 -2.683 2.901 5.311 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -3.871 1.829 2.732 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -3.481 0.802 4.098 1.00 0.00 H new ATOM 257 N LEU A 125 -0.799 2.722 2.708 1.00 0.00 N ATOM 258 CA LEU A 125 0.470 2.335 2.177 1.00 0.00 C ATOM 259 C LEU A 125 1.542 3.154 2.866 1.00 0.00 C ATOM 260 O LEU A 125 2.590 2.645 3.266 1.00 0.00 O ATOM 261 CB LEU A 125 0.364 2.599 0.680 1.00 0.00 C ATOM 262 CG LEU A 125 1.431 3.459 0.055 1.00 0.00 C ATOM 263 CD1 LEU A 125 2.768 2.780 0.177 1.00 0.00 C ATOM 264 CD2 LEU A 125 1.097 3.693 -1.395 1.00 0.00 C ATOM 0 H LEU A 125 -1.285 3.415 2.139 1.00 0.00 H new ATOM 0 HA LEU A 125 0.735 1.291 2.342 1.00 0.00 H new ATOM 0 HB2 LEU A 125 0.362 1.637 0.167 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -0.602 3.066 0.487 1.00 0.00 H new ATOM 0 HG LEU A 125 1.477 4.418 0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 125 3.537 3.406 -0.277 1.00 0.00 H new ATOM 0 HD12 LEU A 125 3.002 2.624 1.230 1.00 0.00 H new ATOM 0 HD13 LEU A 125 2.735 1.818 -0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.868 4.315 -1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 125 1.048 2.737 -1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 125 0.133 4.197 -1.470 1.00 0.00 H new ATOM 276 N LEU A 126 1.252 4.432 2.986 1.00 0.00 N ATOM 277 CA LEU A 126 2.105 5.377 3.659 1.00 0.00 C ATOM 278 C LEU A 126 2.587 4.826 4.987 1.00 0.00 C ATOM 279 O LEU A 126 3.784 4.802 5.266 1.00 0.00 O ATOM 280 CB LEU A 126 1.312 6.651 3.905 1.00 0.00 C ATOM 281 CG LEU A 126 2.141 7.915 3.913 1.00 0.00 C ATOM 282 CD1 LEU A 126 1.250 9.145 3.843 1.00 0.00 C ATOM 283 CD2 LEU A 126 3.023 7.960 5.154 1.00 0.00 C ATOM 0 H LEU A 126 0.400 4.847 2.610 1.00 0.00 H new ATOM 0 HA LEU A 126 2.976 5.576 3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 126 0.544 6.740 3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 126 0.797 6.564 4.861 1.00 0.00 H new ATOM 0 HG LEU A 126 2.782 7.912 3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 126 1.868 10.043 3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 126 0.662 9.116 2.926 1.00 0.00 H new ATOM 0 HD13 LEU A 126 0.580 9.159 4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 126 3.615 8.875 5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 126 2.397 7.939 6.046 1.00 0.00 H new ATOM 0 HD23 LEU A 126 3.689 7.097 5.158 1.00 0.00 H new ATOM 295 N THR A 127 1.640 4.390 5.802 1.00 0.00 N ATOM 296 CA THR A 127 1.957 3.859 7.113 1.00 0.00 C ATOM 297 C THR A 127 2.384 2.396 7.056 1.00 0.00 C ATOM 298 O THR A 127 2.831 1.839 8.059 1.00 0.00 O ATOM 299 CB THR A 127 0.771 4.018 8.068 1.00 0.00 C ATOM 300 OG1 THR A 127 1.095 3.483 9.357 1.00 0.00 O ATOM 301 CG2 THR A 127 -0.451 3.319 7.510 1.00 0.00 C ATOM 0 H THR A 127 0.645 4.394 5.576 1.00 0.00 H new ATOM 0 HA THR A 127 2.801 4.438 7.489 1.00 0.00 H new ATOM 0 HB THR A 127 0.552 5.081 8.173 1.00 0.00 H new ATOM 0 HG1 THR A 127 1.816 2.825 9.266 1.00 0.00 H new ATOM 0 HG21 THR A 127 -1.286 3.440 8.200 1.00 0.00 H new ATOM 0 HG22 THR A 127 -0.711 3.755 6.545 1.00 0.00 H new ATOM 0 HG23 THR A 127 -0.237 2.258 7.383 1.00 0.00 H new ATOM 309 N LEU A 128 2.249 1.765 5.889 1.00 0.00 N ATOM 310 CA LEU A 128 2.656 0.371 5.746 1.00 0.00 C ATOM 311 C LEU A 128 4.112 0.242 5.338 1.00 0.00 C ATOM 312 O LEU A 128 4.580 -0.861 5.090 1.00 0.00 O ATOM 313 CB LEU A 128 1.771 -0.385 4.758 1.00 0.00 C ATOM 314 CG LEU A 128 0.620 -1.134 5.408 1.00 0.00 C ATOM 315 CD1 LEU A 128 -0.359 -1.663 4.366 1.00 0.00 C ATOM 316 CD2 LEU A 128 1.187 -2.267 6.223 1.00 0.00 C ATOM 0 H LEU A 128 1.868 2.190 5.044 1.00 0.00 H new ATOM 0 HA LEU A 128 2.535 -0.081 6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 128 1.368 0.322 4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 128 2.386 -1.094 4.204 1.00 0.00 H new ATOM 0 HG LEU A 128 0.065 -0.451 6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -1.170 -2.194 4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -0.768 -0.830 3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 128 0.160 -2.345 3.692 1.00 0.00 H new ATOM 0 HD21 LEU A 128 0.374 -2.816 6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 128 1.747 -2.938 5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 128 1.851 -1.867 6.990 1.00 0.00 H new ATOM 328 N CYS A 129 4.804 1.370 5.216 1.00 0.00 N ATOM 329 CA CYS A 129 6.232 1.356 4.884 1.00 0.00 C ATOM 330 C CYS A 129 7.138 1.509 6.122 1.00 0.00 C ATOM 331 O CYS A 129 8.176 0.853 6.208 1.00 0.00 O ATOM 332 CB CYS A 129 6.573 2.455 3.892 1.00 0.00 C ATOM 333 SG CYS A 129 8.291 3.041 4.039 1.00 0.00 S ATOM 0 H CYS A 129 4.407 2.301 5.340 1.00 0.00 H new ATOM 0 HA CYS A 129 6.422 0.378 4.442 1.00 0.00 H new ATOM 0 HB2 CYS A 129 6.406 2.087 2.880 1.00 0.00 H new ATOM 0 HB3 CYS A 129 5.895 3.295 4.042 1.00 0.00 H new ATOM 338 N PRO A 130 6.787 2.399 7.079 1.00 0.00 N ATOM 339 CA PRO A 130 7.594 2.631 8.290 1.00 0.00 C ATOM 340 C PRO A 130 8.061 1.353 8.992 1.00 0.00 C ATOM 341 O PRO A 130 8.990 1.396 9.800 1.00 0.00 O ATOM 342 CB PRO A 130 6.643 3.412 9.193 1.00 0.00 C ATOM 343 CG PRO A 130 5.770 4.160 8.249 1.00 0.00 C ATOM 344 CD PRO A 130 5.594 3.267 7.052 1.00 0.00 C ATOM 0 HA PRO A 130 8.523 3.146 8.045 1.00 0.00 H new ATOM 0 HB2 PRO A 130 6.061 2.745 9.829 1.00 0.00 H new ATOM 0 HB3 PRO A 130 7.187 4.088 9.853 1.00 0.00 H new ATOM 0 HG2 PRO A 130 4.809 4.392 8.707 1.00 0.00 H new ATOM 0 HG3 PRO A 130 6.225 5.109 7.965 1.00 0.00 H new ATOM 0 HD2 PRO A 130 4.675 2.685 7.119 1.00 0.00 H new ATOM 0 HD3 PRO A 130 5.540 3.843 6.128 1.00 0.00 H new ATOM 352 N TYR A 131 7.421 0.223 8.693 1.00 0.00 N ATOM 353 CA TYR A 131 7.795 -1.049 9.315 1.00 0.00 C ATOM 354 C TYR A 131 9.292 -1.312 9.166 1.00 0.00 C ATOM 355 O TYR A 131 9.910 -1.941 10.024 1.00 0.00 O ATOM 356 CB TYR A 131 7.003 -2.208 8.702 1.00 0.00 C ATOM 357 CG TYR A 131 7.361 -2.492 7.262 1.00 0.00 C ATOM 358 CD1 TYR A 131 6.898 -1.674 6.246 1.00 0.00 C ATOM 359 CD2 TYR A 131 8.167 -3.570 6.922 1.00 0.00 C ATOM 360 CE1 TYR A 131 7.223 -1.916 4.924 1.00 0.00 C ATOM 361 CE2 TYR A 131 8.498 -3.823 5.605 1.00 0.00 C ATOM 362 CZ TYR A 131 8.026 -2.993 4.609 1.00 0.00 C ATOM 363 OH TYR A 131 8.354 -3.247 3.298 1.00 0.00 O ATOM 0 H TYR A 131 6.648 0.161 8.030 1.00 0.00 H new ATOM 0 HA TYR A 131 7.556 -0.980 10.376 1.00 0.00 H new ATOM 0 HB2 TYR A 131 7.174 -3.107 9.294 1.00 0.00 H new ATOM 0 HB3 TYR A 131 5.938 -1.983 8.765 1.00 0.00 H new ATOM 0 HD1 TYR A 131 6.270 -0.830 6.491 1.00 0.00 H new ATOM 0 HD2 TYR A 131 8.541 -4.221 7.699 1.00 0.00 H new ATOM 0 HE1 TYR A 131 6.851 -1.267 4.144 1.00 0.00 H new ATOM 0 HE2 TYR A 131 9.124 -4.667 5.356 1.00 0.00 H new ATOM 0 HH TYR A 131 8.563 -2.404 2.844 1.00 0.00 H new ATOM 373 N GLY A 132 9.868 -0.826 8.069 1.00 0.00 N ATOM 374 CA GLY A 132 11.287 -1.019 7.830 1.00 0.00 C ATOM 375 C GLY A 132 11.824 -0.106 6.745 1.00 0.00 C ATOM 376 O GLY A 132 11.880 1.113 6.920 1.00 0.00 O ATOM 0 H GLY A 132 9.378 -0.303 7.343 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.835 -0.840 8.755 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.467 -2.057 7.549 1.00 0.00 H new TER 380 GLY A 132 ATOM 381 N PRO B 25 -9.757 17.124 0.755 1.00 0.00 N ATOM 382 CA PRO B 25 -8.690 16.741 1.714 1.00 0.00 C ATOM 383 C PRO B 25 -8.089 15.387 1.351 1.00 0.00 C ATOM 384 O PRO B 25 -8.081 14.464 2.165 1.00 0.00 O ATOM 385 CB PRO B 25 -9.283 16.700 3.116 1.00 0.00 C ATOM 386 CG PRO B 25 -10.744 16.867 2.886 1.00 0.00 C ATOM 387 CD PRO B 25 -10.884 17.607 1.575 1.00 0.00 C ATOM 0 HA PRO B 25 -7.888 17.478 1.673 1.00 0.00 H new ATOM 0 HB2 PRO B 25 -9.062 15.758 3.617 1.00 0.00 H new ATOM 0 HB3 PRO B 25 -8.883 17.496 3.744 1.00 0.00 H new ATOM 0 HG2 PRO B 25 -11.244 15.899 2.842 1.00 0.00 H new ATOM 0 HG3 PRO B 25 -11.204 17.427 3.700 1.00 0.00 H new ATOM 0 HD2 PRO B 25 -11.841 17.393 1.099 1.00 0.00 H new ATOM 0 HD3 PRO B 25 -10.834 18.686 1.721 1.00 0.00 H new ATOM 397 N THR B 26 -7.589 15.284 0.119 1.00 0.00 N ATOM 398 CA THR B 26 -6.978 14.054 -0.386 1.00 0.00 C ATOM 399 C THR B 26 -7.920 12.853 -0.239 1.00 0.00 C ATOM 400 O THR B 26 -8.162 12.378 0.869 1.00 0.00 O ATOM 401 CB THR B 26 -5.643 13.741 0.318 1.00 0.00 C ATOM 402 OG1 THR B 26 -5.857 13.480 1.709 1.00 0.00 O ATOM 403 CG2 THR B 26 -4.666 14.898 0.159 1.00 0.00 C ATOM 0 H THR B 26 -7.596 16.049 -0.556 1.00 0.00 H new ATOM 0 HA THR B 26 -6.783 14.226 -1.444 1.00 0.00 H new ATOM 0 HB THR B 26 -5.218 12.853 -0.149 1.00 0.00 H new ATOM 0 HG1 THR B 26 -6.819 13.415 1.885 1.00 0.00 H new ATOM 0 HG21 THR B 26 -3.730 14.656 0.663 1.00 0.00 H new ATOM 0 HG22 THR B 26 -4.474 15.069 -0.900 1.00 0.00 H new ATOM 0 HG23 THR B 26 -5.094 15.798 0.600 1.00 0.00 H new ATOM 411 N PRO B 27 -8.456 12.333 -1.363 1.00 0.00 N ATOM 412 CA PRO B 27 -9.368 11.194 -1.345 1.00 0.00 C ATOM 413 C PRO B 27 -8.636 9.874 -1.132 1.00 0.00 C ATOM 414 O PRO B 27 -7.411 9.808 -1.239 1.00 0.00 O ATOM 415 CB PRO B 27 -10.031 11.219 -2.731 1.00 0.00 C ATOM 416 CG PRO B 27 -9.451 12.388 -3.464 1.00 0.00 C ATOM 417 CD PRO B 27 -8.208 12.798 -2.731 1.00 0.00 C ATOM 0 HA PRO B 27 -10.082 11.267 -0.524 1.00 0.00 H new ATOM 0 HB2 PRO B 27 -9.839 10.291 -3.269 1.00 0.00 H new ATOM 0 HB3 PRO B 27 -11.113 11.317 -2.641 1.00 0.00 H new ATOM 0 HG2 PRO B 27 -9.219 12.119 -4.495 1.00 0.00 H new ATOM 0 HG3 PRO B 27 -10.165 13.211 -3.502 1.00 0.00 H new ATOM 0 HD2 PRO B 27 -7.318 12.336 -3.158 1.00 0.00 H new ATOM 0 HD3 PRO B 27 -8.056 13.877 -2.768 1.00 0.00 H new ATOM 425 N GLU B 28 -9.394 8.825 -0.831 1.00 0.00 N ATOM 426 CA GLU B 28 -8.819 7.505 -0.595 1.00 0.00 C ATOM 427 C GLU B 28 -9.221 6.522 -1.692 1.00 0.00 C ATOM 428 O GLU B 28 -10.379 6.113 -1.782 1.00 0.00 O ATOM 429 CB GLU B 28 -9.257 6.975 0.771 1.00 0.00 C ATOM 430 CG GLU B 28 -10.748 7.120 1.033 1.00 0.00 C ATOM 431 CD GLU B 28 -11.134 6.723 2.443 1.00 0.00 C ATOM 432 OE1 GLU B 28 -10.981 7.560 3.358 1.00 0.00 O ATOM 433 OE2 GLU B 28 -11.589 5.576 2.633 1.00 0.00 O ATOM 0 H GLU B 28 -10.410 8.863 -0.745 1.00 0.00 H new ATOM 0 HA GLU B 28 -7.734 7.604 -0.610 1.00 0.00 H new ATOM 0 HB2 GLU B 28 -8.984 5.922 0.847 1.00 0.00 H new ATOM 0 HB3 GLU B 28 -8.707 7.504 1.550 1.00 0.00 H new ATOM 0 HG2 GLU B 28 -11.045 8.154 0.857 1.00 0.00 H new ATOM 0 HG3 GLU B 28 -11.299 6.504 0.322 1.00 0.00 H new ATOM 440 N MET B 29 -8.253 6.148 -2.524 1.00 0.00 N ATOM 441 CA MET B 29 -8.497 5.209 -3.613 1.00 0.00 C ATOM 442 C MET B 29 -7.730 3.910 -3.382 1.00 0.00 C ATOM 443 O MET B 29 -6.549 3.808 -3.716 1.00 0.00 O ATOM 444 CB MET B 29 -8.090 5.832 -4.951 1.00 0.00 C ATOM 445 CG MET B 29 -8.310 4.915 -6.144 1.00 0.00 C ATOM 446 SD MET B 29 -7.927 5.714 -7.715 1.00 0.00 S ATOM 447 CE MET B 29 -6.203 6.135 -7.474 1.00 0.00 C ATOM 0 H MET B 29 -7.291 6.482 -2.464 1.00 0.00 H new ATOM 0 HA MET B 29 -9.563 4.982 -3.640 1.00 0.00 H new ATOM 0 HB2 MET B 29 -8.656 6.751 -5.101 1.00 0.00 H new ATOM 0 HB3 MET B 29 -7.037 6.110 -4.907 1.00 0.00 H new ATOM 0 HG2 MET B 29 -7.690 4.025 -6.033 1.00 0.00 H new ATOM 0 HG3 MET B 29 -9.348 4.581 -6.154 1.00 0.00 H new ATOM 0 HE1 MET B 29 -5.739 6.336 -8.440 1.00 0.00 H new ATOM 0 HE2 MET B 29 -6.130 7.022 -6.844 1.00 0.00 H new ATOM 0 HE3 MET B 29 -5.689 5.304 -6.991 1.00 0.00 H new ATOM 457 N ARG B 30 -8.409 2.923 -2.802 1.00 0.00 N ATOM 458 CA ARG B 30 -7.796 1.627 -2.521 1.00 0.00 C ATOM 459 C ARG B 30 -7.180 1.020 -3.776 1.00 0.00 C ATOM 460 O ARG B 30 -7.886 0.453 -4.611 1.00 0.00 O ATOM 461 CB ARG B 30 -8.834 0.657 -1.955 1.00 0.00 C ATOM 462 CG ARG B 30 -9.108 0.823 -0.478 1.00 0.00 C ATOM 463 CD ARG B 30 -10.201 1.842 -0.252 1.00 0.00 C ATOM 464 NE ARG B 30 -10.299 2.245 1.147 1.00 0.00 N ATOM 465 CZ ARG B 30 -11.448 2.541 1.750 1.00 0.00 C ATOM 466 NH1 ARG B 30 -12.588 2.498 1.073 1.00 0.00 N ATOM 467 NH2 ARG B 30 -11.457 2.881 3.031 1.00 0.00 N ATOM 0 H ARG B 30 -9.386 2.996 -2.517 1.00 0.00 H new ATOM 0 HA ARG B 30 -7.007 1.792 -1.787 1.00 0.00 H new ATOM 0 HB2 ARG B 30 -9.768 0.785 -2.501 1.00 0.00 H new ATOM 0 HB3 ARG B 30 -8.496 -0.363 -2.136 1.00 0.00 H new ATOM 0 HG2 ARG B 30 -9.401 -0.134 -0.047 1.00 0.00 H new ATOM 0 HG3 ARG B 30 -8.198 1.138 0.033 1.00 0.00 H new ATOM 0 HD2 ARG B 30 -10.010 2.720 -0.869 1.00 0.00 H new ATOM 0 HD3 ARG B 30 -11.155 1.427 -0.576 1.00 0.00 H new ATOM 0 HE ARG B 30 -9.439 2.303 1.693 1.00 0.00 H new ATOM 0 HH11 ARG B 30 -12.586 2.237 0.087 1.00 0.00 H new ATOM 0 HH12 ARG B 30 -13.467 2.726 1.539 1.00 0.00 H new ATOM 0 HH21 ARG B 30 -10.583 2.916 3.556 1.00 0.00 H new ATOM 0 HH22 ARG B 30 -12.338 3.108 3.492 1.00 0.00 H new ATOM 481 N GLU B 31 -5.863 1.141 -3.909 1.00 0.00 N ATOM 482 CA GLU B 31 -5.166 0.582 -5.060 1.00 0.00 C ATOM 483 C GLU B 31 -4.839 -0.880 -4.803 1.00 0.00 C ATOM 484 O GLU B 31 -4.323 -1.226 -3.742 1.00 0.00 O ATOM 485 CB GLU B 31 -3.878 1.354 -5.352 1.00 0.00 C ATOM 486 CG GLU B 31 -3.952 2.823 -4.984 1.00 0.00 C ATOM 487 CD GLU B 31 -2.631 3.543 -5.181 1.00 0.00 C ATOM 488 OE1 GLU B 31 -1.782 3.486 -4.268 1.00 0.00 O ATOM 489 OE2 GLU B 31 -2.447 4.161 -6.251 1.00 0.00 O ATOM 0 H GLU B 31 -5.261 1.618 -3.238 1.00 0.00 H new ATOM 0 HA GLU B 31 -5.820 0.665 -5.928 1.00 0.00 H new ATOM 0 HB2 GLU B 31 -3.056 0.892 -4.805 1.00 0.00 H new ATOM 0 HB3 GLU B 31 -3.644 1.265 -6.413 1.00 0.00 H new ATOM 0 HG2 GLU B 31 -4.719 3.307 -5.589 1.00 0.00 H new ATOM 0 HG3 GLU B 31 -4.261 2.918 -3.943 1.00 0.00 H new ATOM 496 N LYS B 32 -5.154 -1.736 -5.766 1.00 0.00 N ATOM 497 CA LYS B 32 -4.880 -3.152 -5.641 1.00 0.00 C ATOM 498 C LYS B 32 -3.383 -3.404 -5.715 1.00 0.00 C ATOM 499 O LYS B 32 -2.858 -3.881 -6.722 1.00 0.00 O ATOM 500 CB LYS B 32 -5.590 -3.900 -6.740 1.00 0.00 C ATOM 501 CG LYS B 32 -7.090 -3.992 -6.533 1.00 0.00 C ATOM 502 CD LYS B 32 -7.619 -5.350 -6.955 1.00 0.00 C ATOM 503 CE LYS B 32 -9.138 -5.394 -6.927 1.00 0.00 C ATOM 504 NZ LYS B 32 -9.663 -6.706 -7.398 1.00 0.00 N ATOM 0 H LYS B 32 -5.601 -1.468 -6.643 1.00 0.00 H new ATOM 0 HA LYS B 32 -5.243 -3.505 -4.676 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -5.391 -3.408 -7.692 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -5.178 -4.907 -6.810 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -7.327 -3.817 -5.484 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -7.588 -3.210 -7.107 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -7.267 -5.582 -7.960 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -7.220 -6.118 -6.292 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -9.488 -5.206 -5.912 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -9.536 -4.597 -7.555 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -10.702 -6.696 -7.364 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -9.350 -6.875 -8.375 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -9.304 -7.464 -6.784 1.00 0.00 H new ATOM 518 N LEU B 33 -2.715 -3.074 -4.630 1.00 0.00 N ATOM 519 CA LEU B 33 -1.271 -3.225 -4.523 1.00 0.00 C ATOM 520 C LEU B 33 -0.891 -4.666 -4.205 1.00 0.00 C ATOM 521 O LEU B 33 -0.818 -5.061 -3.041 1.00 0.00 O ATOM 522 CB LEU B 33 -0.725 -2.277 -3.450 1.00 0.00 C ATOM 523 CG LEU B 33 -1.198 -0.825 -3.565 1.00 0.00 C ATOM 524 CD1 LEU B 33 -0.498 0.056 -2.543 1.00 0.00 C ATOM 525 CD2 LEU B 33 -0.963 -0.297 -4.965 1.00 0.00 C ATOM 0 H LEU B 33 -3.155 -2.692 -3.793 1.00 0.00 H new ATOM 0 HA LEU B 33 -0.827 -2.968 -5.485 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -1.011 -2.659 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU B 33 0.364 -2.293 -3.493 1.00 0.00 H new ATOM 0 HG LEU B 33 -2.268 -0.802 -3.360 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -0.851 1.082 -2.645 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -0.719 -0.306 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU B 33 0.578 0.024 -2.712 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -1.306 0.736 -5.027 1.00 0.00 H new ATOM 0 HD22 LEU B 33 0.101 -0.341 -5.196 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -1.515 -0.906 -5.681 1.00 0.00 H new ATOM 537 N CYS B 34 -0.652 -5.445 -5.254 1.00 0.00 N ATOM 538 CA CYS B 34 -0.280 -6.846 -5.104 1.00 0.00 C ATOM 539 C CYS B 34 1.233 -7.011 -5.201 1.00 0.00 C ATOM 540 O CYS B 34 1.984 -6.087 -4.888 1.00 0.00 O ATOM 541 CB CYS B 34 -0.974 -7.686 -6.178 1.00 0.00 C ATOM 542 SG CYS B 34 -1.366 -9.386 -5.655 1.00 0.00 S ATOM 0 H CYS B 34 -0.710 -5.128 -6.222 1.00 0.00 H new ATOM 0 HA CYS B 34 -0.601 -7.190 -4.121 1.00 0.00 H new ATOM 0 HB2 CYS B 34 -1.896 -7.187 -6.475 1.00 0.00 H new ATOM 0 HB3 CYS B 34 -0.336 -7.727 -7.061 1.00 0.00 H new ATOM 547 N GLY B 35 1.679 -8.191 -5.629 1.00 0.00 N ATOM 548 CA GLY B 35 3.103 -8.441 -5.760 1.00 0.00 C ATOM 549 C GLY B 35 3.800 -7.374 -6.582 1.00 0.00 C ATOM 550 O GLY B 35 3.405 -7.106 -7.717 1.00 0.00 O ATOM 0 H GLY B 35 1.080 -8.976 -5.886 1.00 0.00 H new ATOM 0 HA2 GLY B 35 3.555 -8.486 -4.769 1.00 0.00 H new ATOM 0 HA3 GLY B 35 3.258 -9.414 -6.226 1.00 0.00 H new ATOM 554 N HIS B 36 4.831 -6.761 -5.995 1.00 0.00 N ATOM 555 CA HIS B 36 5.608 -5.708 -6.656 1.00 0.00 C ATOM 556 C HIS B 36 4.834 -4.390 -6.721 1.00 0.00 C ATOM 557 O HIS B 36 5.426 -3.318 -6.621 1.00 0.00 O ATOM 558 CB HIS B 36 6.035 -6.139 -8.060 1.00 0.00 C ATOM 559 CG HIS B 36 6.794 -5.085 -8.807 1.00 0.00 C ATOM 560 ND1 HIS B 36 6.243 -4.295 -9.792 1.00 0.00 N ATOM 561 CD2 HIS B 36 8.090 -4.698 -8.699 1.00 0.00 C ATOM 562 CE1 HIS B 36 7.199 -3.472 -10.241 1.00 0.00 C ATOM 563 NE2 HIS B 36 8.339 -3.676 -9.610 1.00 0.00 N ATOM 0 H HIS B 36 5.150 -6.979 -5.051 1.00 0.00 H new ATOM 0 HA HIS B 36 6.502 -5.544 -6.054 1.00 0.00 H new ATOM 0 HB2 HIS B 36 6.652 -7.034 -7.984 1.00 0.00 H new ATOM 0 HB3 HIS B 36 5.148 -6.411 -8.633 1.00 0.00 H new ATOM 0 HD2 HIS B 36 8.813 -5.117 -8.015 1.00 0.00 H new ATOM 0 HE1 HIS B 36 7.055 -2.737 -11.019 1.00 0.00 H new ATOM 0 HE2 HIS B 36 9.221 -3.186 -9.759 1.00 0.00 H new ATOM 571 N HIS B 37 3.514 -4.469 -6.891 1.00 0.00 N ATOM 572 CA HIS B 37 2.686 -3.268 -6.968 1.00 0.00 C ATOM 573 C HIS B 37 2.718 -2.506 -5.654 1.00 0.00 C ATOM 574 O HIS B 37 2.820 -1.280 -5.648 1.00 0.00 O ATOM 575 CB HIS B 37 1.243 -3.621 -7.322 1.00 0.00 C ATOM 576 CG HIS B 37 1.121 -4.524 -8.506 1.00 0.00 C ATOM 577 ND1 HIS B 37 0.903 -5.881 -8.420 1.00 0.00 N ATOM 578 CD2 HIS B 37 1.190 -4.240 -9.832 1.00 0.00 C ATOM 579 CE1 HIS B 37 0.848 -6.368 -9.667 1.00 0.00 C ATOM 580 NE2 HIS B 37 1.018 -5.413 -10.561 1.00 0.00 N ATOM 0 H HIS B 37 2.999 -5.345 -6.977 1.00 0.00 H new ATOM 0 HA HIS B 37 3.096 -2.635 -7.755 1.00 0.00 H new ATOM 0 HB2 HIS B 37 0.773 -4.098 -6.462 1.00 0.00 H new ATOM 0 HB3 HIS B 37 0.691 -2.702 -7.518 1.00 0.00 H new ATOM 0 HD2 HIS B 37 1.353 -3.259 -10.254 1.00 0.00 H new ATOM 0 HE1 HIS B 37 0.686 -7.408 -9.909 1.00 0.00 H new ATOM 0 HE2 HIS B 37 1.022 -5.513 -11.576 1.00 0.00 H new ATOM 588 N PHE B 38 2.621 -3.225 -4.539 1.00 0.00 N ATOM 589 CA PHE B 38 2.653 -2.577 -3.240 1.00 0.00 C ATOM 590 C PHE B 38 4.039 -2.013 -2.983 1.00 0.00 C ATOM 591 O PHE B 38 4.175 -0.866 -2.589 1.00 0.00 O ATOM 592 CB PHE B 38 2.229 -3.532 -2.111 1.00 0.00 C ATOM 593 CG PHE B 38 1.918 -2.834 -0.802 1.00 0.00 C ATOM 594 CD1 PHE B 38 1.886 -1.447 -0.720 1.00 0.00 C ATOM 595 CD2 PHE B 38 1.670 -3.564 0.353 1.00 0.00 C ATOM 596 CE1 PHE B 38 1.618 -0.815 0.472 1.00 0.00 C ATOM 597 CE2 PHE B 38 1.400 -2.929 1.545 1.00 0.00 C ATOM 598 CZ PHE B 38 1.377 -1.554 1.601 1.00 0.00 C ATOM 0 H PHE B 38 2.521 -4.240 -4.512 1.00 0.00 H new ATOM 0 HA PHE B 38 1.931 -1.761 -3.250 1.00 0.00 H new ATOM 0 HB2 PHE B 38 1.350 -4.091 -2.432 1.00 0.00 H new ATOM 0 HB3 PHE B 38 3.025 -4.258 -1.944 1.00 0.00 H new ATOM 0 HD1 PHE B 38 2.074 -0.857 -1.605 1.00 0.00 H new ATOM 0 HD2 PHE B 38 1.689 -4.643 0.316 1.00 0.00 H new ATOM 0 HE1 PHE B 38 1.597 0.264 0.518 1.00 0.00 H new ATOM 0 HE2 PHE B 38 1.207 -3.509 2.435 1.00 0.00 H new ATOM 0 HZ PHE B 38 1.169 -1.056 2.537 1.00 0.00 H new ATOM 608 N VAL B 39 5.064 -2.820 -3.228 1.00 0.00 N ATOM 609 CA VAL B 39 6.443 -2.382 -3.043 1.00 0.00 C ATOM 610 C VAL B 39 6.717 -1.138 -3.881 1.00 0.00 C ATOM 611 O VAL B 39 7.491 -0.265 -3.486 1.00 0.00 O ATOM 612 CB VAL B 39 7.429 -3.505 -3.436 1.00 0.00 C ATOM 613 CG1 VAL B 39 8.852 -2.983 -3.543 1.00 0.00 C ATOM 614 CG2 VAL B 39 7.351 -4.653 -2.440 1.00 0.00 C ATOM 0 H VAL B 39 4.967 -3.781 -3.555 1.00 0.00 H new ATOM 0 HA VAL B 39 6.587 -2.143 -1.989 1.00 0.00 H new ATOM 0 HB VAL B 39 7.139 -3.876 -4.419 1.00 0.00 H new ATOM 0 HG11 VAL B 39 9.519 -3.799 -3.821 1.00 0.00 H new ATOM 0 HG12 VAL B 39 8.897 -2.203 -4.303 1.00 0.00 H new ATOM 0 HG13 VAL B 39 9.162 -2.572 -2.582 1.00 0.00 H new ATOM 0 HG21 VAL B 39 8.052 -5.436 -2.731 1.00 0.00 H new ATOM 0 HG22 VAL B 39 7.606 -4.289 -1.445 1.00 0.00 H new ATOM 0 HG23 VAL B 39 6.339 -5.058 -2.430 1.00 0.00 H new ATOM 624 N ARG B 40 6.071 -1.067 -5.041 1.00 0.00 N ATOM 625 CA ARG B 40 6.218 0.074 -5.934 1.00 0.00 C ATOM 626 C ARG B 40 5.512 1.283 -5.342 1.00 0.00 C ATOM 627 O ARG B 40 6.113 2.339 -5.147 1.00 0.00 O ATOM 628 CB ARG B 40 5.631 -0.257 -7.304 1.00 0.00 C ATOM 629 CG ARG B 40 6.607 -0.051 -8.449 1.00 0.00 C ATOM 630 CD ARG B 40 5.897 -0.039 -9.793 1.00 0.00 C ATOM 631 NE ARG B 40 5.071 1.153 -9.965 1.00 0.00 N ATOM 632 CZ ARG B 40 4.502 1.495 -11.117 1.00 0.00 C ATOM 633 NH1 ARG B 40 4.658 0.731 -12.190 1.00 0.00 N ATOM 634 NH2 ARG B 40 3.774 2.601 -11.195 1.00 0.00 N ATOM 0 H ARG B 40 5.439 -1.790 -5.384 1.00 0.00 H new ATOM 0 HA ARG B 40 7.277 0.303 -6.051 1.00 0.00 H new ATOM 0 HB2 ARG B 40 5.296 -1.294 -7.305 1.00 0.00 H new ATOM 0 HB3 ARG B 40 4.750 0.363 -7.472 1.00 0.00 H new ATOM 0 HG2 ARG B 40 7.139 0.890 -8.309 1.00 0.00 H new ATOM 0 HG3 ARG B 40 7.354 -0.845 -8.438 1.00 0.00 H new ATOM 0 HD2 ARG B 40 6.635 -0.087 -10.593 1.00 0.00 H new ATOM 0 HD3 ARG B 40 5.273 -0.928 -9.881 1.00 0.00 H new ATOM 0 HE ARG B 40 4.922 1.757 -9.156 1.00 0.00 H new ATOM 0 HH11 ARG B 40 5.216 -0.121 -12.133 1.00 0.00 H new ATOM 0 HH12 ARG B 40 4.220 0.996 -13.073 1.00 0.00 H new ATOM 0 HH21 ARG B 40 3.651 3.189 -10.371 1.00 0.00 H new ATOM 0 HH22 ARG B 40 3.338 2.863 -12.079 1.00 0.00 H new ATOM 648 N ALA B 41 4.222 1.117 -5.061 1.00 0.00 N ATOM 649 CA ALA B 41 3.430 2.179 -4.463 1.00 0.00 C ATOM 650 C ALA B 41 4.072 2.609 -3.155 1.00 0.00 C ATOM 651 O ALA B 41 3.858 3.718 -2.669 1.00 0.00 O ATOM 652 CB ALA B 41 2.004 1.702 -4.225 1.00 0.00 C ATOM 0 H ALA B 41 3.706 0.255 -5.239 1.00 0.00 H new ATOM 0 HA ALA B 41 3.396 3.031 -5.142 1.00 0.00 H new ATOM 0 HB1 ALA B 41 1.421 2.507 -3.777 1.00 0.00 H new ATOM 0 HB2 ALA B 41 1.554 1.413 -5.175 1.00 0.00 H new ATOM 0 HB3 ALA B 41 2.015 0.844 -3.553 1.00 0.00 H new ATOM 658 N LEU B 42 4.881 1.709 -2.611 1.00 0.00 N ATOM 659 CA LEU B 42 5.580 1.940 -1.365 1.00 0.00 C ATOM 660 C LEU B 42 6.801 2.823 -1.599 1.00 0.00 C ATOM 661 O LEU B 42 7.062 3.754 -0.839 1.00 0.00 O ATOM 662 CB LEU B 42 5.974 0.596 -0.759 1.00 0.00 C ATOM 663 CG LEU B 42 4.881 -0.083 0.053 1.00 0.00 C ATOM 664 CD1 LEU B 42 5.140 -1.563 0.174 1.00 0.00 C ATOM 665 CD2 LEU B 42 4.781 0.534 1.427 1.00 0.00 C ATOM 0 H LEU B 42 5.068 0.797 -3.027 1.00 0.00 H new ATOM 0 HA LEU B 42 4.927 2.463 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU B 42 6.279 -0.074 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU B 42 6.844 0.743 -0.119 1.00 0.00 H new ATOM 0 HG LEU B 42 3.936 0.062 -0.471 1.00 0.00 H new ATOM 0 HD11 LEU B 42 4.345 -2.025 0.759 1.00 0.00 H new ATOM 0 HD12 LEU B 42 5.166 -2.010 -0.820 1.00 0.00 H new ATOM 0 HD13 LEU B 42 6.097 -1.726 0.671 1.00 0.00 H new ATOM 0 HD21 LEU B 42 3.994 0.036 1.993 1.00 0.00 H new ATOM 0 HD22 LEU B 42 5.732 0.419 1.948 1.00 0.00 H new ATOM 0 HD23 LEU B 42 4.545 1.594 1.334 1.00 0.00 H new ATOM 677 N VAL B 43 7.546 2.516 -2.657 1.00 0.00 N ATOM 678 CA VAL B 43 8.717 3.294 -3.022 1.00 0.00 C ATOM 679 C VAL B 43 8.292 4.684 -3.486 1.00 0.00 C ATOM 680 O VAL B 43 9.111 5.596 -3.612 1.00 0.00 O ATOM 681 CB VAL B 43 9.511 2.587 -4.142 1.00 0.00 C ATOM 682 CG1 VAL B 43 9.125 3.114 -5.510 1.00 0.00 C ATOM 683 CG2 VAL B 43 10.999 2.732 -3.914 1.00 0.00 C ATOM 0 H VAL B 43 7.355 1.729 -3.277 1.00 0.00 H new ATOM 0 HA VAL B 43 9.359 3.387 -2.146 1.00 0.00 H new ATOM 0 HB VAL B 43 9.258 1.527 -4.111 1.00 0.00 H new ATOM 0 HG11 VAL B 43 9.702 2.596 -6.276 1.00 0.00 H new ATOM 0 HG12 VAL B 43 8.062 2.943 -5.679 1.00 0.00 H new ATOM 0 HG13 VAL B 43 9.333 4.183 -5.560 1.00 0.00 H new ATOM 0 HG21 VAL B 43 11.541 2.227 -4.714 1.00 0.00 H new ATOM 0 HG22 VAL B 43 11.265 3.789 -3.907 1.00 0.00 H new ATOM 0 HG23 VAL B 43 11.266 2.285 -2.957 1.00 0.00 H new ATOM 693 N ARG B 44 6.993 4.824 -3.735 1.00 0.00 N ATOM 694 CA ARG B 44 6.413 6.077 -4.200 1.00 0.00 C ATOM 695 C ARG B 44 6.137 7.044 -3.051 1.00 0.00 C ATOM 696 O ARG B 44 6.737 8.115 -2.972 1.00 0.00 O ATOM 697 CB ARG B 44 5.120 5.785 -4.949 1.00 0.00 C ATOM 698 CG ARG B 44 4.347 7.026 -5.352 1.00 0.00 C ATOM 699 CD ARG B 44 2.962 6.668 -5.869 1.00 0.00 C ATOM 700 NE ARG B 44 2.140 7.850 -6.108 1.00 0.00 N ATOM 701 CZ ARG B 44 0.813 7.819 -6.193 1.00 0.00 C ATOM 702 NH1 ARG B 44 0.165 6.668 -6.065 1.00 0.00 N ATOM 703 NH2 ARG B 44 0.134 8.938 -6.405 1.00 0.00 N ATOM 0 H ARG B 44 6.314 4.071 -3.620 1.00 0.00 H new ATOM 0 HA ARG B 44 7.135 6.555 -4.862 1.00 0.00 H new ATOM 0 HB2 ARG B 44 5.353 5.208 -5.844 1.00 0.00 H new ATOM 0 HB3 ARG B 44 4.483 5.160 -4.323 1.00 0.00 H new ATOM 0 HG2 ARG B 44 4.257 7.695 -4.496 1.00 0.00 H new ATOM 0 HG3 ARG B 44 4.897 7.566 -6.122 1.00 0.00 H new ATOM 0 HD2 ARG B 44 3.057 6.101 -6.795 1.00 0.00 H new ATOM 0 HD3 ARG B 44 2.463 6.020 -5.148 1.00 0.00 H new ATOM 0 HE ARG B 44 2.609 8.749 -6.216 1.00 0.00 H new ATOM 0 HH11 ARG B 44 0.685 5.806 -5.901 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -0.853 6.646 -6.130 1.00 0.00 H new ATOM 0 HH21 ARG B 44 0.629 9.824 -6.503 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -0.884 8.913 -6.470 1.00 0.00 H new ATOM 717 N VAL B 45 5.224 6.660 -2.163 1.00 0.00 N ATOM 718 CA VAL B 45 4.851 7.511 -1.036 1.00 0.00 C ATOM 719 C VAL B 45 5.905 7.468 0.065 1.00 0.00 C ATOM 720 O VAL B 45 6.216 8.490 0.676 1.00 0.00 O ATOM 721 CB VAL B 45 3.470 7.121 -0.448 1.00 0.00 C ATOM 722 CG1 VAL B 45 2.597 6.463 -1.498 1.00 0.00 C ATOM 723 CG2 VAL B 45 3.609 6.205 0.757 1.00 0.00 C ATOM 0 H VAL B 45 4.730 5.768 -2.201 1.00 0.00 H new ATOM 0 HA VAL B 45 4.785 8.527 -1.425 1.00 0.00 H new ATOM 0 HB VAL B 45 2.993 8.044 -0.120 1.00 0.00 H new ATOM 0 HG11 VAL B 45 1.635 6.200 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL B 45 2.441 7.154 -2.326 1.00 0.00 H new ATOM 0 HG13 VAL B 45 3.087 5.561 -1.865 1.00 0.00 H new ATOM 0 HG21 VAL B 45 2.620 5.955 1.140 1.00 0.00 H new ATOM 0 HG22 VAL B 45 4.126 5.292 0.462 1.00 0.00 H new ATOM 0 HG23 VAL B 45 4.182 6.711 1.534 1.00 0.00 H new ATOM 733 N CYS B 46 6.452 6.283 0.314 1.00 0.00 N ATOM 734 CA CYS B 46 7.461 6.118 1.349 1.00 0.00 C ATOM 735 C CYS B 46 8.766 5.581 0.769 1.00 0.00 C ATOM 736 O CYS B 46 9.167 4.456 1.067 1.00 0.00 O ATOM 737 CB CYS B 46 6.961 5.175 2.446 1.00 0.00 C ATOM 738 SG CYS B 46 8.099 5.032 3.854 1.00 0.00 S ATOM 0 H CYS B 46 6.213 5.426 -0.186 1.00 0.00 H new ATOM 0 HA CYS B 46 7.651 7.101 1.780 1.00 0.00 H new ATOM 0 HB2 CYS B 46 5.994 5.528 2.805 1.00 0.00 H new ATOM 0 HB3 CYS B 46 6.800 4.186 2.018 1.00 0.00 H new ATOM 743 N GLY B 47 9.419 6.387 -0.064 1.00 0.00 N ATOM 744 CA GLY B 47 10.680 5.976 -0.657 1.00 0.00 C ATOM 745 C GLY B 47 11.683 5.527 0.390 1.00 0.00 C ATOM 746 O GLY B 47 12.372 6.349 0.993 1.00 0.00 O ATOM 0 H GLY B 47 9.098 7.316 -0.339 1.00 0.00 H new ATOM 0 HA2 GLY B 47 10.502 5.162 -1.360 1.00 0.00 H new ATOM 0 HA3 GLY B 47 11.099 6.805 -1.228 1.00 0.00 H new ATOM 750 N GLY B 48 11.760 4.217 0.605 1.00 0.00 N ATOM 751 CA GLY B 48 12.676 3.674 1.593 1.00 0.00 C ATOM 752 C GLY B 48 13.993 3.220 0.992 1.00 0.00 C ATOM 753 O GLY B 48 14.192 3.320 -0.219 1.00 0.00 O ATOM 0 H GLY B 48 11.203 3.520 0.111 1.00 0.00 H new ATOM 0 HA2 GLY B 48 12.871 4.430 2.354 1.00 0.00 H new ATOM 0 HA3 GLY B 48 12.202 2.831 2.095 1.00 0.00 H new ATOM 757 N PRO B 49 14.916 2.710 1.828 1.00 0.00 N ATOM 758 CA PRO B 49 16.226 2.240 1.386 1.00 0.00 C ATOM 759 C PRO B 49 16.183 0.818 0.831 1.00 0.00 C ATOM 760 O PRO B 49 17.052 0.426 0.051 1.00 0.00 O ATOM 761 CB PRO B 49 17.078 2.287 2.670 1.00 0.00 C ATOM 762 CG PRO B 49 16.174 2.805 3.748 1.00 0.00 C ATOM 763 CD PRO B 49 14.772 2.559 3.274 1.00 0.00 C ATOM 0 HA PRO B 49 16.619 2.850 0.572 1.00 0.00 H new ATOM 0 HB2 PRO B 49 17.458 1.297 2.922 1.00 0.00 H new ATOM 0 HB3 PRO B 49 17.943 2.937 2.540 1.00 0.00 H new ATOM 0 HG2 PRO B 49 16.361 2.293 4.692 1.00 0.00 H new ATOM 0 HG3 PRO B 49 16.345 3.867 3.922 1.00 0.00 H new ATOM 0 HD2 PRO B 49 14.416 1.566 3.548 1.00 0.00 H new ATOM 0 HD3 PRO B 49 14.067 3.277 3.692 1.00 0.00 H new ATOM 771 N LYS B 50 15.173 0.046 1.232 1.00 0.00 N ATOM 772 CA LYS B 50 15.044 -1.331 0.757 1.00 0.00 C ATOM 773 C LYS B 50 14.720 -1.363 -0.730 1.00 0.00 C ATOM 774 O LYS B 50 15.599 -1.564 -1.570 1.00 0.00 O ATOM 775 CB LYS B 50 13.977 -2.112 1.521 1.00 0.00 C ATOM 776 CG LYS B 50 13.051 -1.257 2.345 1.00 0.00 C ATOM 777 CD LYS B 50 13.698 -0.848 3.651 1.00 0.00 C ATOM 778 CE LYS B 50 12.770 0.026 4.478 1.00 0.00 C ATOM 779 NZ LYS B 50 12.224 -0.695 5.623 1.00 0.00 N ATOM 0 H LYS B 50 14.441 0.346 1.876 1.00 0.00 H new ATOM 0 HA LYS B 50 16.007 -1.810 0.935 1.00 0.00 H new ATOM 0 HB2 LYS B 50 13.384 -2.686 0.809 1.00 0.00 H new ATOM 0 HB3 LYS B 50 14.469 -2.830 2.177 1.00 0.00 H new ATOM 0 HG2 LYS B 50 12.774 -0.367 1.779 1.00 0.00 H new ATOM 0 HG3 LYS B 50 12.131 -1.805 2.548 1.00 0.00 H new ATOM 0 HD2 LYS B 50 13.966 -1.738 4.221 1.00 0.00 H new ATOM 0 HD3 LYS B 50 14.623 -0.309 3.448 1.00 0.00 H new ATOM 0 HE2 LYS B 50 13.313 0.904 4.827 1.00 0.00 H new ATOM 0 HE3 LYS B 50 11.953 0.384 3.851 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 11.596 -0.065 6.162 1.00 0.00 H new ATOM 791 N TRP B 51 13.443 -1.165 -1.038 1.00 0.00 N ATOM 792 CA TRP B 51 12.963 -1.157 -2.416 1.00 0.00 C ATOM 793 C TRP B 51 13.748 -0.163 -3.267 1.00 0.00 C ATOM 794 O TRP B 51 14.679 -0.600 -3.978 1.00 0.00 O ATOM 795 CB TRP B 51 11.468 -0.813 -2.446 1.00 0.00 C ATOM 796 CG TRP B 51 11.013 -0.037 -1.246 1.00 0.00 C ATOM 797 CD1 TRP B 51 11.473 1.179 -0.829 1.00 0.00 C ATOM 798 CD2 TRP B 51 10.015 -0.431 -0.299 1.00 0.00 C ATOM 799 NE1 TRP B 51 10.819 1.562 0.315 1.00 0.00 N ATOM 800 CE2 TRP B 51 9.921 0.593 0.659 1.00 0.00 C ATOM 801 CE3 TRP B 51 9.190 -1.548 -0.173 1.00 0.00 C ATOM 802 CZ2 TRP B 51 9.039 0.532 1.733 1.00 0.00 C ATOM 803 CZ3 TRP B 51 8.313 -1.609 0.892 1.00 0.00 C ATOM 804 CH2 TRP B 51 8.240 -0.575 1.834 1.00 0.00 C ATOM 805 OXT TRP B 51 13.429 1.043 -3.216 1.00 0.00 O ATOM 0 H TRP B 51 12.714 -1.006 -0.343 1.00 0.00 H new ATOM 0 HA TRP B 51 13.113 -2.152 -2.836 1.00 0.00 H new ATOM 0 HB2 TRP B 51 11.253 -0.236 -3.346 1.00 0.00 H new ATOM 0 HB3 TRP B 51 10.891 -1.736 -2.513 1.00 0.00 H new ATOM 0 HD1 TRP B 51 12.239 1.755 -1.327 1.00 0.00 H new ATOM 0 HE1 TRP B 51 10.978 2.430 0.826 1.00 0.00 H new ATOM 0 HE3 TRP B 51 9.236 -2.350 -0.895 1.00 0.00 H new ATOM 0 HZ2 TRP B 51 8.987 1.329 2.460 1.00 0.00 H new ATOM 0 HZ3 TRP B 51 7.671 -2.471 1.001 1.00 0.00 H new ATOM 0 HH2 TRP B 51 7.541 -0.652 2.654 1.00 0.00 H new TER 816 TRP B 51