USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 449 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 29 SER OG : rot -42:sc= 0.0549 USER MOD Set 1.2: A 34 THR OG1 : rot 180:sc= 0.0523 USER MOD Set 2.1: A 24 TYR OH : rot 150:sc= -0.143 USER MOD Set 2.2: A 26 LYS NZ :NH3+ -133:sc= -1.43 (180deg=-3.69!) USER MOD Set 3.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 22 ASN : amide:sc= -4.19! C(o=-4.2!,f=-7.9!) USER MOD Set 4.1: A 5 ASN : amide:sc= -3.08! C(o=-2.7!,f=-3.2!) USER MOD Set 4.2: A 13 THR OG1 : rot 143:sc= 0.367 USER MOD Set 5.1: A 4 HIS : no HE2:sc= -7! C(o=-13!,f=-14!) USER MOD Set 5.2: A 6 GLN : amide:sc= -5.63! C(o=-13!,f=-13!) USER MOD Single : A 1 LEU N :NH3+ 138:sc= 0.0232 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -2.42 K(o=-2.4,f=-12!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.62 K(o=-1.6,f=-2.8!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 142:sc= 0.0137 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00264 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= 0.0459 (180deg=-0.302) USER MOD Single : A 31 HIS : no HD1:sc= -0.0165 X(o=-0.017,f=-0.032) USER MOD Single : A 44 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.212) USER MOD Single : A 46 LYS NZ :NH3+ 155:sc= -0.232 (180deg=-1.01) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -4.65! USER MOD Single : A 60 ASN : amide:sc= -2.95! C(o=-2.9!,f=-20!) USER MOD Single : A 61 ASN : amide:sc= -1.47! K(o=-1.5!,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -6.193 -15.256 2.085 1.00 0.00 N ATOM 2 CA LEU A 1 -5.815 -14.254 1.103 1.00 0.00 C ATOM 3 C LEU A 1 -4.642 -13.433 1.643 1.00 0.00 C ATOM 4 O LEU A 1 -4.642 -13.036 2.808 1.00 0.00 O ATOM 5 CB LEU A 1 -7.027 -13.409 0.707 1.00 0.00 C ATOM 6 CG LEU A 1 -6.734 -12.183 -0.161 1.00 0.00 C ATOM 7 CD1 LEU A 1 -6.557 -12.579 -1.628 1.00 0.00 C ATOM 8 CD2 LEU A 1 -7.815 -11.114 0.018 1.00 0.00 C ATOM 0 H1 LEU A 1 -7.230 -15.309 2.145 1.00 0.00 H new ATOM 0 H2 LEU A 1 -5.814 -16.182 1.800 1.00 0.00 H new ATOM 0 H3 LEU A 1 -5.806 -14.995 3.014 1.00 0.00 H new ATOM 0 HA LEU A 1 -5.474 -14.731 0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -7.732 -14.047 0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -7.525 -13.075 1.617 1.00 0.00 H new ATOM 0 HG LEU A 1 -5.791 -11.747 0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -6.350 -11.689 -2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.725 -13.278 -1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -7.470 -13.053 -1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -7.583 -10.253 -0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -8.783 -11.523 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -7.850 -10.803 1.062 1.00 0.00 H new ATOM 22 N GLU A 2 -3.671 -13.204 0.772 1.00 0.00 N ATOM 23 CA GLU A 2 -2.495 -12.437 1.147 1.00 0.00 C ATOM 24 C GLU A 2 -2.503 -11.076 0.449 1.00 0.00 C ATOM 25 O GLU A 2 -2.967 -10.959 -0.684 1.00 0.00 O ATOM 26 CB GLU A 2 -1.213 -13.209 0.829 1.00 0.00 C ATOM 27 CG GLU A 2 -1.358 -14.688 1.194 1.00 0.00 C ATOM 28 CD GLU A 2 -0.124 -15.483 0.762 1.00 0.00 C ATOM 29 OE1 GLU A 2 0.335 -15.245 -0.376 1.00 0.00 O ATOM 30 OE2 GLU A 2 0.332 -16.311 1.580 1.00 0.00 O ATOM 0 H GLU A 2 -3.674 -13.536 -0.192 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.522 -12.270 2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.981 -13.114 -0.232 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -0.377 -12.775 1.379 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -1.501 -14.788 2.270 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -2.246 -15.099 0.714 1.00 0.00 H new ATOM 37 N CYS A 3 -1.984 -10.082 1.154 1.00 0.00 N ATOM 38 CA CYS A 3 -1.925 -8.734 0.615 1.00 0.00 C ATOM 39 C CYS A 3 -0.561 -8.136 0.963 1.00 0.00 C ATOM 40 O CYS A 3 -0.076 -8.295 2.082 1.00 0.00 O ATOM 41 CB CYS A 3 -3.076 -7.868 1.132 1.00 0.00 C ATOM 42 SG CYS A 3 -4.718 -8.674 1.100 1.00 0.00 S ATOM 0 H CYS A 3 -1.601 -10.183 2.094 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.040 -8.768 -0.468 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.854 -7.568 2.156 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.123 -6.957 0.536 1.00 0.00 H new ATOM 47 N HIS A 4 0.021 -7.461 -0.018 1.00 0.00 N ATOM 48 CA HIS A 4 1.321 -6.839 0.170 1.00 0.00 C ATOM 49 C HIS A 4 1.227 -5.775 1.265 1.00 0.00 C ATOM 50 O HIS A 4 0.255 -5.024 1.324 1.00 0.00 O ATOM 51 CB HIS A 4 1.854 -6.284 -1.152 1.00 0.00 C ATOM 52 CG HIS A 4 2.561 -7.308 -2.007 1.00 0.00 C ATOM 53 ND1 HIS A 4 3.919 -7.557 -1.911 1.00 0.00 N ATOM 54 CD2 HIS A 4 2.084 -8.144 -2.974 1.00 0.00 C ATOM 55 CE1 HIS A 4 4.235 -8.501 -2.786 1.00 0.00 C ATOM 56 NE2 HIS A 4 3.096 -8.863 -3.444 1.00 0.00 N ATOM 0 H HIS A 4 -0.384 -7.331 -0.945 1.00 0.00 H new ATOM 0 HA HIS A 4 2.042 -7.587 0.500 1.00 0.00 H new ATOM 0 HB2 HIS A 4 1.023 -5.863 -1.719 1.00 0.00 H new ATOM 0 HB3 HIS A 4 2.542 -5.466 -0.940 1.00 0.00 H new ATOM 0 HD1 HIS A 4 4.567 -7.093 -1.275 1.00 0.00 H new ATOM 0 HD2 HIS A 4 1.057 -8.210 -3.302 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.221 -8.911 -2.949 1.00 0.00 H new ATOM 65 N ASN A 5 2.250 -5.745 2.106 1.00 0.00 N ATOM 66 CA ASN A 5 2.295 -4.785 3.196 1.00 0.00 C ATOM 67 C ASN A 5 3.546 -3.916 3.054 1.00 0.00 C ATOM 68 O ASN A 5 3.889 -3.161 3.962 1.00 0.00 O ATOM 69 CB ASN A 5 2.363 -5.492 4.551 1.00 0.00 C ATOM 70 CG ASN A 5 3.789 -5.953 4.858 1.00 0.00 C ATOM 71 OD1 ASN A 5 4.717 -5.166 4.949 1.00 0.00 O ATOM 72 ND2 ASN A 5 3.912 -7.268 5.013 1.00 0.00 N ATOM 0 H ASN A 5 3.054 -6.370 2.055 1.00 0.00 H new ATOM 0 HA ASN A 5 1.389 -4.181 3.149 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.018 -4.817 5.335 1.00 0.00 H new ATOM 0 HB3 ASN A 5 1.691 -6.351 4.551 1.00 0.00 H new ATOM 0 HD21 ASN A 5 4.824 -7.674 5.221 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.094 -7.871 4.924 1.00 0.00 H new ATOM 79 N GLN A 6 4.194 -4.051 1.906 1.00 0.00 N ATOM 80 CA GLN A 6 5.400 -3.288 1.633 1.00 0.00 C ATOM 81 C GLN A 6 5.065 -1.803 1.480 1.00 0.00 C ATOM 82 O GLN A 6 4.037 -1.451 0.904 1.00 0.00 O ATOM 83 CB GLN A 6 6.115 -3.819 0.389 1.00 0.00 C ATOM 84 CG GLN A 6 5.113 -4.164 -0.715 1.00 0.00 C ATOM 85 CD GLN A 6 5.728 -3.949 -2.100 1.00 0.00 C ATOM 86 OE1 GLN A 6 6.217 -2.882 -2.432 1.00 0.00 O ATOM 87 NE2 GLN A 6 5.676 -5.020 -2.886 1.00 0.00 N ATOM 0 H GLN A 6 3.906 -4.678 1.154 1.00 0.00 H new ATOM 0 HA GLN A 6 6.078 -3.403 2.479 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.820 -3.072 0.024 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.694 -4.705 0.649 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.795 -5.201 -0.611 1.00 0.00 H new ATOM 0 HG3 GLN A 6 4.222 -3.545 -0.609 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.252 -5.883 -2.545 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.060 -4.979 -3.830 1.00 0.00 H new ATOM 96 N GLN A 7 5.952 -0.972 2.006 1.00 0.00 N ATOM 97 CA GLN A 7 5.764 0.467 1.936 1.00 0.00 C ATOM 98 C GLN A 7 6.728 1.080 0.918 1.00 0.00 C ATOM 99 O GLN A 7 7.747 0.478 0.583 1.00 0.00 O ATOM 100 CB GLN A 7 5.938 1.111 3.313 1.00 0.00 C ATOM 101 CG GLN A 7 5.489 0.160 4.424 1.00 0.00 C ATOM 102 CD GLN A 7 3.986 -0.113 4.337 1.00 0.00 C ATOM 103 OE1 GLN A 7 3.386 -0.098 3.275 1.00 0.00 O ATOM 104 NE2 GLN A 7 3.413 -0.363 5.511 1.00 0.00 N ATOM 0 H GLN A 7 6.804 -1.268 2.483 1.00 0.00 H new ATOM 0 HA GLN A 7 4.744 0.664 1.606 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.983 1.382 3.462 1.00 0.00 H new ATOM 0 HB3 GLN A 7 5.359 2.033 3.363 1.00 0.00 H new ATOM 0 HG2 GLN A 7 6.038 -0.779 4.348 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.728 0.592 5.396 1.00 0.00 H new ATOM 0 HE21 GLN A 7 3.974 -0.360 6.363 1.00 0.00 H new ATOM 0 HE22 GLN A 7 2.413 -0.558 5.559 1.00 0.00 H new ATOM 113 N SER A 8 6.372 2.269 0.455 1.00 0.00 N ATOM 114 CA SER A 8 7.193 2.970 -0.518 1.00 0.00 C ATOM 115 C SER A 8 7.832 1.968 -1.482 1.00 0.00 C ATOM 116 O SER A 8 7.166 1.052 -1.963 1.00 0.00 O ATOM 117 CB SER A 8 8.274 3.805 0.173 1.00 0.00 C ATOM 118 OG SER A 8 7.765 4.503 1.306 1.00 0.00 O ATOM 0 H SER A 8 5.526 2.765 0.736 1.00 0.00 H new ATOM 0 HA SER A 8 6.552 3.649 -1.081 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.091 3.154 0.485 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.689 4.520 -0.537 1.00 0.00 H new ATOM 0 HG SER A 8 8.485 5.023 1.721 1.00 0.00 H new ATOM 124 N SER A 9 9.116 2.175 -1.735 1.00 0.00 N ATOM 125 CA SER A 9 9.852 1.302 -2.633 1.00 0.00 C ATOM 126 C SER A 9 10.488 0.156 -1.844 1.00 0.00 C ATOM 127 O SER A 9 11.142 -0.712 -2.420 1.00 0.00 O ATOM 128 CB SER A 9 10.925 2.078 -3.400 1.00 0.00 C ATOM 129 OG SER A 9 10.361 3.073 -4.248 1.00 0.00 O ATOM 0 H SER A 9 9.665 2.935 -1.334 1.00 0.00 H new ATOM 0 HA SER A 9 9.151 0.890 -3.359 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.607 2.549 -2.692 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.516 1.384 -3.998 1.00 0.00 H new ATOM 0 HG SER A 9 11.078 3.547 -4.718 1.00 0.00 H new ATOM 135 N GLN A 10 10.273 0.189 -0.537 1.00 0.00 N ATOM 136 CA GLN A 10 10.816 -0.836 0.337 1.00 0.00 C ATOM 137 C GLN A 10 10.610 -2.222 -0.277 1.00 0.00 C ATOM 138 O GLN A 10 9.877 -2.369 -1.254 1.00 0.00 O ATOM 139 CB GLN A 10 10.191 -0.756 1.732 1.00 0.00 C ATOM 140 CG GLN A 10 10.170 0.687 2.240 1.00 0.00 C ATOM 141 CD GLN A 10 11.507 1.382 1.975 1.00 0.00 C ATOM 142 OE1 GLN A 10 12.561 0.768 1.953 1.00 0.00 O ATOM 143 NE2 GLN A 10 11.405 2.693 1.775 1.00 0.00 N ATOM 0 H GLN A 10 9.730 0.910 -0.062 1.00 0.00 H new ATOM 0 HA GLN A 10 11.887 -0.663 0.444 1.00 0.00 H new ATOM 0 HB2 GLN A 10 9.175 -1.150 1.703 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.755 -1.381 2.424 1.00 0.00 H new ATOM 0 HG2 GLN A 10 9.367 1.237 1.750 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.957 0.697 3.309 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.491 3.144 1.807 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.241 3.247 1.589 1.00 0.00 H new ATOM 152 N PRO A 11 11.268 -3.204 0.321 1.00 0.00 N ATOM 153 CA PRO A 11 11.218 -4.606 -0.096 1.00 0.00 C ATOM 154 C PRO A 11 9.775 -5.112 -0.047 1.00 0.00 C ATOM 155 O PRO A 11 9.077 -4.911 0.946 1.00 0.00 O ATOM 156 CB PRO A 11 12.058 -5.329 0.960 1.00 0.00 C ATOM 157 CG PRO A 11 12.980 -4.262 1.474 1.00 0.00 C ATOM 158 CD PRO A 11 12.138 -3.018 1.485 1.00 0.00 C ATOM 0 HA PRO A 11 11.581 -4.762 -1.112 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.435 -5.737 1.756 1.00 0.00 H new ATOM 0 HB3 PRO A 11 12.612 -6.163 0.529 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.349 -4.502 2.471 1.00 0.00 H new ATOM 0 HG3 PRO A 11 13.852 -4.146 0.831 1.00 0.00 H new ATOM 0 HD2 PRO A 11 11.565 -2.926 2.408 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.746 -2.118 1.396 1.00 0.00 H new ATOM 166 N PRO A 12 9.370 -5.758 -1.131 1.00 0.00 N ATOM 167 CA PRO A 12 8.031 -6.327 -1.302 1.00 0.00 C ATOM 168 C PRO A 12 7.755 -7.349 -0.198 1.00 0.00 C ATOM 169 O PRO A 12 8.541 -8.273 0.006 1.00 0.00 O ATOM 170 CB PRO A 12 8.108 -7.032 -2.657 1.00 0.00 C ATOM 171 CG PRO A 12 9.203 -6.303 -3.380 1.00 0.00 C ATOM 172 CD PRO A 12 10.210 -5.992 -2.308 1.00 0.00 C ATOM 0 HA PRO A 12 7.239 -5.579 -1.254 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.340 -8.091 -2.544 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.162 -6.968 -3.195 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.638 -6.918 -4.168 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.831 -5.394 -3.853 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.903 -6.819 -2.152 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.809 -5.116 -2.558 1.00 0.00 H new ATOM 180 N THR A 13 6.638 -7.149 0.486 1.00 0.00 N ATOM 181 CA THR A 13 6.250 -8.043 1.564 1.00 0.00 C ATOM 182 C THR A 13 4.778 -8.437 1.427 1.00 0.00 C ATOM 183 O THR A 13 4.074 -7.926 0.557 1.00 0.00 O ATOM 184 CB THR A 13 6.573 -7.352 2.890 1.00 0.00 C ATOM 185 OG1 THR A 13 6.249 -5.984 2.657 1.00 0.00 O ATOM 186 CG2 THR A 13 8.073 -7.333 3.191 1.00 0.00 C ATOM 0 H THR A 13 5.989 -6.381 0.315 1.00 0.00 H new ATOM 0 HA THR A 13 6.809 -8.978 1.523 1.00 0.00 H new ATOM 0 HB THR A 13 6.047 -7.858 3.700 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.862 -5.596 3.470 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.247 -6.831 4.143 1.00 0.00 H new ATOM 0 HG22 THR A 13 8.446 -8.356 3.246 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.596 -6.798 2.398 1.00 0.00 H new ATOM 194 N THR A 14 4.358 -9.342 2.298 1.00 0.00 N ATOM 195 CA THR A 14 2.982 -9.811 2.285 1.00 0.00 C ATOM 196 C THR A 14 2.505 -10.104 3.708 1.00 0.00 C ATOM 197 O THR A 14 3.316 -10.331 4.604 1.00 0.00 O ATOM 198 CB THR A 14 2.905 -11.025 1.356 1.00 0.00 C ATOM 199 OG1 THR A 14 4.119 -11.729 1.605 1.00 0.00 O ATOM 200 CG2 THR A 14 2.994 -10.638 -0.122 1.00 0.00 C ATOM 0 H THR A 14 4.946 -9.763 3.017 1.00 0.00 H new ATOM 0 HA THR A 14 2.307 -9.046 1.901 1.00 0.00 H new ATOM 0 HB THR A 14 1.973 -11.561 1.535 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.152 -12.533 1.045 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.934 -11.536 -0.737 1.00 0.00 H new ATOM 0 HG22 THR A 14 2.170 -9.970 -0.374 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.941 -10.132 -0.309 1.00 0.00 H new ATOM 208 N LYS A 15 1.190 -10.088 3.872 1.00 0.00 N ATOM 209 CA LYS A 15 0.595 -10.349 5.172 1.00 0.00 C ATOM 210 C LYS A 15 -0.769 -11.015 4.979 1.00 0.00 C ATOM 211 O LYS A 15 -1.454 -10.759 3.990 1.00 0.00 O ATOM 212 CB LYS A 15 0.542 -9.067 6.004 1.00 0.00 C ATOM 213 CG LYS A 15 0.493 -9.385 7.500 1.00 0.00 C ATOM 214 CD LYS A 15 -0.951 -9.538 7.982 1.00 0.00 C ATOM 215 CE LYS A 15 -1.083 -9.141 9.453 1.00 0.00 C ATOM 216 NZ LYS A 15 -2.509 -9.012 9.829 1.00 0.00 N ATOM 0 H LYS A 15 0.520 -9.898 3.126 1.00 0.00 H new ATOM 0 HA LYS A 15 1.212 -11.045 5.741 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.416 -8.453 5.788 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.335 -8.484 5.724 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.045 -10.304 7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 15 0.985 -8.590 8.061 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.609 -8.917 7.374 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.275 -10.570 7.850 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.601 -9.889 10.082 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.568 -8.197 9.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.648 -9.376 10.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.788 -8.011 9.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.094 -9.559 9.165 1.00 0.00 H new ATOM 230 N THR A 16 -1.123 -11.855 5.940 1.00 0.00 N ATOM 231 CA THR A 16 -2.393 -12.559 5.888 1.00 0.00 C ATOM 232 C THR A 16 -3.536 -11.628 6.296 1.00 0.00 C ATOM 233 O THR A 16 -3.441 -10.926 7.302 1.00 0.00 O ATOM 234 CB THR A 16 -2.280 -13.804 6.771 1.00 0.00 C ATOM 235 OG1 THR A 16 -0.979 -14.313 6.487 1.00 0.00 O ATOM 236 CG2 THR A 16 -3.223 -14.924 6.327 1.00 0.00 C ATOM 0 H THR A 16 -0.553 -12.064 6.759 1.00 0.00 H new ATOM 0 HA THR A 16 -2.625 -12.882 4.873 1.00 0.00 H new ATOM 0 HB THR A 16 -2.496 -13.537 7.805 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.821 -15.121 7.019 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.103 -15.784 6.986 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.254 -14.572 6.374 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.985 -15.216 5.304 1.00 0.00 H new ATOM 244 N CYS A 17 -4.590 -11.651 5.494 1.00 0.00 N ATOM 245 CA CYS A 17 -5.751 -10.817 5.759 1.00 0.00 C ATOM 246 C CYS A 17 -6.683 -11.577 6.703 1.00 0.00 C ATOM 247 O CYS A 17 -7.128 -12.680 6.388 1.00 0.00 O ATOM 248 CB CYS A 17 -6.458 -10.406 4.466 1.00 0.00 C ATOM 249 SG CYS A 17 -5.341 -9.988 3.079 1.00 0.00 S ATOM 0 H CYS A 17 -4.665 -12.234 4.660 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.435 -9.888 6.234 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.114 -11.218 4.153 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.094 -9.545 4.674 1.00 0.00 H new ATOM 254 N SER A 18 -6.953 -10.958 7.843 1.00 0.00 N ATOM 255 CA SER A 18 -7.825 -11.563 8.836 1.00 0.00 C ATOM 256 C SER A 18 -9.207 -10.908 8.786 1.00 0.00 C ATOM 257 O SER A 18 -9.343 -9.716 9.056 1.00 0.00 O ATOM 258 CB SER A 18 -7.229 -11.441 10.240 1.00 0.00 C ATOM 259 OG SER A 18 -7.786 -12.394 11.141 1.00 0.00 O ATOM 0 H SER A 18 -6.583 -10.043 8.101 1.00 0.00 H new ATOM 0 HA SER A 18 -7.924 -12.624 8.605 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.149 -11.579 10.189 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.404 -10.435 10.622 1.00 0.00 H new ATOM 0 HG SER A 18 -7.379 -12.285 12.026 1.00 0.00 H new ATOM 265 N GLY A 19 -10.197 -11.717 8.440 1.00 0.00 N ATOM 266 CA GLY A 19 -11.564 -11.231 8.352 1.00 0.00 C ATOM 267 C GLY A 19 -11.791 -10.467 7.046 1.00 0.00 C ATOM 268 O GLY A 19 -12.929 -10.157 6.694 1.00 0.00 O ATOM 0 H GLY A 19 -10.080 -12.706 8.217 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.257 -12.070 8.412 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -11.778 -10.580 9.200 1.00 0.00 H new ATOM 272 N GLU A 20 -10.692 -10.187 6.363 1.00 0.00 N ATOM 273 CA GLU A 20 -10.757 -9.465 5.103 1.00 0.00 C ATOM 274 C GLU A 20 -10.570 -10.429 3.930 1.00 0.00 C ATOM 275 O GLU A 20 -10.041 -11.526 4.101 1.00 0.00 O ATOM 276 CB GLU A 20 -9.719 -8.342 5.061 1.00 0.00 C ATOM 277 CG GLU A 20 -9.606 -7.647 6.420 1.00 0.00 C ATOM 278 CD GLU A 20 -8.600 -6.496 6.365 1.00 0.00 C ATOM 279 OE1 GLU A 20 -7.419 -6.788 6.080 1.00 0.00 O ATOM 280 OE2 GLU A 20 -9.035 -5.350 6.610 1.00 0.00 O ATOM 0 H GLU A 20 -9.751 -10.447 6.658 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.743 -9.007 5.018 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.749 -8.749 4.775 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.996 -7.614 4.298 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.582 -7.267 6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.298 -8.368 7.177 1.00 0.00 H new ATOM 287 N THR A 21 -11.015 -9.983 2.764 1.00 0.00 N ATOM 288 CA THR A 21 -10.903 -10.792 1.562 1.00 0.00 C ATOM 289 C THR A 21 -10.491 -9.925 0.371 1.00 0.00 C ATOM 290 O THR A 21 -10.612 -10.344 -0.779 1.00 0.00 O ATOM 291 CB THR A 21 -12.235 -11.516 1.354 1.00 0.00 C ATOM 292 OG1 THR A 21 -13.217 -10.520 1.626 1.00 0.00 O ATOM 293 CG2 THR A 21 -12.490 -12.590 2.413 1.00 0.00 C ATOM 0 H THR A 21 -11.453 -9.072 2.626 1.00 0.00 H new ATOM 0 HA THR A 21 -10.120 -11.543 1.663 1.00 0.00 H new ATOM 0 HB THR A 21 -12.249 -11.972 0.364 1.00 0.00 H new ATOM 0 HG1 THR A 21 -14.112 -10.903 1.513 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.448 -13.072 2.219 1.00 0.00 H new ATOM 0 HG22 THR A 21 -11.695 -13.334 2.375 1.00 0.00 H new ATOM 0 HG23 THR A 21 -12.510 -12.130 3.401 1.00 0.00 H new ATOM 301 N ASN A 22 -10.011 -8.731 0.688 1.00 0.00 N ATOM 302 CA ASN A 22 -9.580 -7.800 -0.342 1.00 0.00 C ATOM 303 C ASN A 22 -8.237 -7.188 0.061 1.00 0.00 C ATOM 304 O ASN A 22 -7.909 -7.125 1.245 1.00 0.00 O ATOM 305 CB ASN A 22 -10.587 -6.661 -0.511 1.00 0.00 C ATOM 306 CG ASN A 22 -11.961 -7.199 -0.918 1.00 0.00 C ATOM 307 OD1 ASN A 22 -12.309 -7.267 -2.085 1.00 0.00 O ATOM 308 ND2 ASN A 22 -12.719 -7.577 0.107 1.00 0.00 N ATOM 0 H ASN A 22 -9.911 -8.387 1.643 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.496 -8.349 -1.280 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.672 -6.105 0.423 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.228 -5.962 -1.267 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.653 -7.951 -0.060 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.366 -7.493 1.060 1.00 0.00 H new ATOM 315 N CYS A 23 -7.496 -6.752 -0.947 1.00 0.00 N ATOM 316 CA CYS A 23 -6.196 -6.146 -0.714 1.00 0.00 C ATOM 317 C CYS A 23 -6.247 -4.696 -1.198 1.00 0.00 C ATOM 318 O CYS A 23 -6.794 -4.412 -2.262 1.00 0.00 O ATOM 319 CB CYS A 23 -5.075 -6.935 -1.392 1.00 0.00 C ATOM 320 SG CYS A 23 -5.031 -8.717 -0.979 1.00 0.00 S ATOM 0 H CYS A 23 -7.771 -6.806 -1.928 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.970 -6.163 0.352 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.178 -6.829 -2.472 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -4.119 -6.489 -1.117 1.00 0.00 H new ATOM 325 N TYR A 24 -5.670 -3.816 -0.393 1.00 0.00 N ATOM 326 CA TYR A 24 -5.643 -2.402 -0.726 1.00 0.00 C ATOM 327 C TYR A 24 -4.206 -1.911 -0.916 1.00 0.00 C ATOM 328 O TYR A 24 -3.275 -2.467 -0.336 1.00 0.00 O ATOM 329 CB TYR A 24 -6.264 -1.675 0.468 1.00 0.00 C ATOM 330 CG TYR A 24 -5.304 -1.472 1.641 1.00 0.00 C ATOM 331 CD1 TYR A 24 -4.495 -0.354 1.685 1.00 0.00 C ATOM 332 CD2 TYR A 24 -5.245 -2.406 2.656 1.00 0.00 C ATOM 333 CE1 TYR A 24 -3.591 -0.162 2.789 1.00 0.00 C ATOM 334 CE2 TYR A 24 -4.341 -2.214 3.760 1.00 0.00 C ATOM 335 CZ TYR A 24 -3.559 -1.102 3.772 1.00 0.00 C ATOM 336 OH TYR A 24 -2.705 -0.921 4.815 1.00 0.00 O ATOM 0 H TYR A 24 -5.217 -4.055 0.489 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.182 -2.216 -1.655 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -6.629 -0.702 0.138 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -7.130 -2.240 0.814 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -4.540 0.377 0.891 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -5.877 -3.281 2.622 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -2.953 0.708 2.836 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.285 -2.937 4.560 1.00 0.00 H new ATOM 0 HH TYR A 24 -3.080 -1.335 5.620 1.00 0.00 H new ATOM 346 N LYS A 25 -4.072 -0.873 -1.729 1.00 0.00 N ATOM 347 CA LYS A 25 -2.765 -0.301 -2.001 1.00 0.00 C ATOM 348 C LYS A 25 -2.877 1.225 -2.029 1.00 0.00 C ATOM 349 O LYS A 25 -3.586 1.784 -2.865 1.00 0.00 O ATOM 350 CB LYS A 25 -2.175 -0.897 -3.281 1.00 0.00 C ATOM 351 CG LYS A 25 -0.988 -0.068 -3.776 1.00 0.00 C ATOM 352 CD LYS A 25 -0.090 -0.894 -4.700 1.00 0.00 C ATOM 353 CE LYS A 25 -0.811 -1.233 -6.006 1.00 0.00 C ATOM 354 NZ LYS A 25 -1.383 -0.012 -6.614 1.00 0.00 N ATOM 0 H LYS A 25 -4.847 -0.414 -2.208 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.065 -0.556 -1.205 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.855 -1.922 -3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.942 -0.938 -4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.351 0.812 -4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.409 0.289 -2.924 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.822 -0.339 -4.918 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.209 -1.813 -4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.115 -1.701 -6.702 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.604 -1.956 -5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.703 -0.223 -7.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.190 0.314 -6.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.658 0.733 -6.644 1.00 0.00 H new ATOM 368 N LYS A 26 -2.166 1.855 -1.106 1.00 0.00 N ATOM 369 CA LYS A 26 -2.176 3.305 -1.014 1.00 0.00 C ATOM 370 C LYS A 26 -0.821 3.851 -1.469 1.00 0.00 C ATOM 371 O LYS A 26 0.218 3.260 -1.182 1.00 0.00 O ATOM 372 CB LYS A 26 -2.576 3.750 0.394 1.00 0.00 C ATOM 373 CG LYS A 26 -3.532 2.743 1.036 1.00 0.00 C ATOM 374 CD LYS A 26 -3.832 3.120 2.489 1.00 0.00 C ATOM 375 CE LYS A 26 -2.546 3.188 3.314 1.00 0.00 C ATOM 376 NZ LYS A 26 -2.838 2.969 4.748 1.00 0.00 N ATOM 0 H LYS A 26 -1.579 1.388 -0.415 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.929 3.723 -1.682 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.685 3.856 1.013 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.051 4.730 0.348 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.461 2.705 0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.094 1.746 0.998 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.340 4.084 2.521 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.510 2.387 2.926 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.841 2.436 2.961 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.071 4.159 3.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.351 3.692 5.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.863 3.036 4.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.505 2.025 5.030 1.00 0.00 H new ATOM 390 N TRP A 27 -0.877 4.973 -2.172 1.00 0.00 N ATOM 391 CA TRP A 27 0.334 5.604 -2.670 1.00 0.00 C ATOM 392 C TRP A 27 0.015 7.073 -2.960 1.00 0.00 C ATOM 393 O TRP A 27 -1.090 7.399 -3.390 1.00 0.00 O ATOM 394 CB TRP A 27 0.879 4.859 -3.889 1.00 0.00 C ATOM 395 CG TRP A 27 0.030 5.023 -5.151 1.00 0.00 C ATOM 396 CD1 TRP A 27 0.186 5.913 -6.141 1.00 0.00 C ATOM 397 CD2 TRP A 27 -1.122 4.236 -5.520 1.00 0.00 C ATOM 398 NE1 TRP A 27 -0.777 5.758 -7.117 1.00 0.00 N ATOM 399 CE2 TRP A 27 -1.598 4.705 -6.728 1.00 0.00 C ATOM 400 CE3 TRP A 27 -1.741 3.162 -4.857 1.00 0.00 C ATOM 401 CZ2 TRP A 27 -2.713 4.161 -7.376 1.00 0.00 C ATOM 402 CZ3 TRP A 27 -2.855 2.630 -5.517 1.00 0.00 C ATOM 403 CH2 TRP A 27 -3.346 3.091 -6.733 1.00 0.00 C ATOM 0 H TRP A 27 -1.741 5.461 -2.408 1.00 0.00 H new ATOM 0 HA TRP A 27 1.128 5.560 -1.924 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.890 5.212 -4.095 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.954 3.798 -3.650 1.00 0.00 H new ATOM 0 HD1 TRP A 27 0.967 6.658 -6.171 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -0.870 6.314 -7.967 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.385 2.778 -3.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -3.066 4.546 -8.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -3.369 1.804 -5.049 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -4.212 2.626 -7.180 1.00 0.00 H new ATOM 414 N TRP A 28 1.004 7.919 -2.712 1.00 0.00 N ATOM 415 CA TRP A 28 0.843 9.345 -2.941 1.00 0.00 C ATOM 416 C TRP A 28 2.237 9.967 -3.043 1.00 0.00 C ATOM 417 O TRP A 28 3.237 9.311 -2.754 1.00 0.00 O ATOM 418 CB TRP A 28 -0.017 9.982 -1.849 1.00 0.00 C ATOM 419 CG TRP A 28 0.611 9.934 -0.454 1.00 0.00 C ATOM 420 CD1 TRP A 28 1.308 10.893 0.170 1.00 0.00 C ATOM 421 CD2 TRP A 28 0.569 8.826 0.469 1.00 0.00 C ATOM 422 NE1 TRP A 28 1.718 10.486 1.423 1.00 0.00 N ATOM 423 CE2 TRP A 28 1.254 9.189 1.611 1.00 0.00 C ATOM 424 CE3 TRP A 28 -0.027 7.559 0.344 1.00 0.00 C ATOM 425 CZ2 TRP A 28 1.408 8.342 2.715 1.00 0.00 C ATOM 426 CZ3 TRP A 28 0.135 6.724 1.456 1.00 0.00 C ATOM 427 CH2 TRP A 28 0.822 7.074 2.613 1.00 0.00 C ATOM 0 H TRP A 28 1.919 7.645 -2.355 1.00 0.00 H new ATOM 0 HA TRP A 28 0.310 9.528 -3.874 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -0.210 11.022 -2.113 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -0.982 9.476 -1.819 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.522 11.863 -0.254 1.00 0.00 H new ATOM 0 HE1 TRP A 28 2.261 11.035 2.089 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.567 7.254 -0.540 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 1.949 8.650 3.597 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.305 5.739 1.412 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.903 6.371 3.429 1.00 0.00 H new ATOM 438 N SER A 29 2.259 11.227 -3.455 1.00 0.00 N ATOM 439 CA SER A 29 3.514 11.945 -3.599 1.00 0.00 C ATOM 440 C SER A 29 3.684 12.937 -2.447 1.00 0.00 C ATOM 441 O SER A 29 2.701 13.397 -1.869 1.00 0.00 O ATOM 442 CB SER A 29 3.580 12.675 -4.942 1.00 0.00 C ATOM 443 OG SER A 29 3.815 11.779 -6.026 1.00 0.00 O ATOM 0 H SER A 29 1.428 11.768 -3.693 1.00 0.00 H new ATOM 0 HA SER A 29 4.328 11.221 -3.570 1.00 0.00 H new ATOM 0 HB2 SER A 29 2.645 13.210 -5.110 1.00 0.00 H new ATOM 0 HB3 SER A 29 4.374 13.422 -4.910 1.00 0.00 H new ATOM 0 HG SER A 29 4.496 11.123 -5.767 1.00 0.00 H new ATOM 449 N ASP A 30 4.939 13.238 -2.148 1.00 0.00 N ATOM 450 CA ASP A 30 5.251 14.167 -1.075 1.00 0.00 C ATOM 451 C ASP A 30 6.533 14.927 -1.420 1.00 0.00 C ATOM 452 O ASP A 30 7.254 14.549 -2.343 1.00 0.00 O ATOM 453 CB ASP A 30 5.481 13.428 0.245 1.00 0.00 C ATOM 454 CG ASP A 30 4.245 12.733 0.821 1.00 0.00 C ATOM 455 OD1 ASP A 30 3.131 13.204 0.505 1.00 0.00 O ATOM 456 OD2 ASP A 30 4.443 11.748 1.564 1.00 0.00 O ATOM 0 H ASP A 30 5.752 12.855 -2.630 1.00 0.00 H new ATOM 0 HA ASP A 30 4.408 14.849 -0.965 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.262 12.682 0.095 1.00 0.00 H new ATOM 0 HB3 ASP A 30 5.856 14.139 0.981 1.00 0.00 H new ATOM 461 N HIS A 31 6.778 15.986 -0.662 1.00 0.00 N ATOM 462 CA HIS A 31 7.960 16.802 -0.876 1.00 0.00 C ATOM 463 C HIS A 31 9.212 15.995 -0.527 1.00 0.00 C ATOM 464 O HIS A 31 10.330 16.420 -0.815 1.00 0.00 O ATOM 465 CB HIS A 31 7.864 18.114 -0.095 1.00 0.00 C ATOM 466 CG HIS A 31 6.551 18.840 -0.273 1.00 0.00 C ATOM 467 ND1 HIS A 31 5.547 18.817 0.678 1.00 0.00 N ATOM 468 CD2 HIS A 31 6.090 19.608 -1.302 1.00 0.00 C ATOM 469 CE1 HIS A 31 4.532 19.542 0.233 1.00 0.00 C ATOM 470 NE2 HIS A 31 4.870 20.031 -0.995 1.00 0.00 N ATOM 0 H HIS A 31 6.177 16.297 0.101 1.00 0.00 H new ATOM 0 HA HIS A 31 8.029 17.077 -1.928 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.012 17.906 0.965 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.676 18.771 -0.407 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.627 19.833 -2.212 1.00 0.00 H new ATOM 0 HE1 HIS A 31 3.600 19.716 0.751 1.00 0.00 H new ATOM 0 HE2 HIS A 31 4.282 20.624 -1.581 1.00 0.00 H new ATOM 479 N ARG A 32 8.982 14.845 0.090 1.00 0.00 N ATOM 480 CA ARG A 32 10.077 13.974 0.482 1.00 0.00 C ATOM 481 C ARG A 32 10.202 12.805 -0.496 1.00 0.00 C ATOM 482 O ARG A 32 11.291 12.264 -0.687 1.00 0.00 O ATOM 483 CB ARG A 32 9.867 13.428 1.896 1.00 0.00 C ATOM 484 CG ARG A 32 11.036 12.535 2.318 1.00 0.00 C ATOM 485 CD ARG A 32 11.068 12.355 3.837 1.00 0.00 C ATOM 486 NE ARG A 32 9.688 12.315 4.370 1.00 0.00 N ATOM 487 CZ ARG A 32 8.884 11.246 4.294 1.00 0.00 C ATOM 488 NH1 ARG A 32 9.317 10.122 3.706 1.00 0.00 N ATOM 489 NH2 ARG A 32 7.646 11.300 4.806 1.00 0.00 N ATOM 0 H ARG A 32 8.053 14.496 0.328 1.00 0.00 H new ATOM 0 HA ARG A 32 10.993 14.565 0.465 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.765 14.256 2.598 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.938 12.860 1.936 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.948 11.562 1.835 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.975 12.975 1.980 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.592 11.434 4.092 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.621 13.174 4.297 1.00 0.00 H new ATOM 0 HE ARG A 32 9.326 13.154 4.824 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.259 10.080 3.316 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.705 9.308 3.648 1.00 0.00 H new ATOM 0 HH21 ARG A 32 7.316 12.155 5.254 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.034 10.486 4.748 1.00 0.00 H new ATOM 503 N GLY A 33 9.073 12.449 -1.091 1.00 0.00 N ATOM 504 CA GLY A 33 9.042 11.354 -2.045 1.00 0.00 C ATOM 505 C GLY A 33 7.645 10.736 -2.126 1.00 0.00 C ATOM 506 O GLY A 33 6.706 11.233 -1.505 1.00 0.00 O ATOM 0 H GLY A 33 8.172 12.900 -0.931 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.341 11.716 -3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.764 10.592 -1.753 1.00 0.00 H new ATOM 510 N THR A 34 7.552 9.662 -2.895 1.00 0.00 N ATOM 511 CA THR A 34 6.285 8.971 -3.065 1.00 0.00 C ATOM 512 C THR A 34 6.091 7.933 -1.958 1.00 0.00 C ATOM 513 O THR A 34 6.832 6.954 -1.883 1.00 0.00 O ATOM 514 CB THR A 34 6.258 8.371 -4.473 1.00 0.00 C ATOM 515 OG1 THR A 34 6.016 9.489 -5.322 1.00 0.00 O ATOM 516 CG2 THR A 34 5.049 7.462 -4.699 1.00 0.00 C ATOM 0 H THR A 34 8.333 9.253 -3.408 1.00 0.00 H new ATOM 0 HA THR A 34 5.444 9.659 -2.973 1.00 0.00 H new ATOM 0 HB THR A 34 7.174 7.805 -4.644 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.985 9.191 -6.255 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.078 7.063 -5.713 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.074 6.639 -3.984 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.132 8.035 -4.561 1.00 0.00 H new ATOM 524 N ILE A 35 5.090 8.181 -1.127 1.00 0.00 N ATOM 525 CA ILE A 35 4.789 7.280 -0.027 1.00 0.00 C ATOM 526 C ILE A 35 3.793 6.220 -0.501 1.00 0.00 C ATOM 527 O ILE A 35 2.807 6.540 -1.163 1.00 0.00 O ATOM 528 CB ILE A 35 4.314 8.067 1.196 1.00 0.00 C ATOM 529 CG1 ILE A 35 5.373 9.076 1.644 1.00 0.00 C ATOM 530 CG2 ILE A 35 3.904 7.125 2.329 1.00 0.00 C ATOM 531 CD1 ILE A 35 5.022 9.670 3.009 1.00 0.00 C ATOM 0 H ILE A 35 4.476 8.993 -1.193 1.00 0.00 H new ATOM 0 HA ILE A 35 5.689 6.754 0.292 1.00 0.00 H new ATOM 0 HB ILE A 35 3.428 8.635 0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 35 6.346 8.588 1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.455 9.874 0.906 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.571 7.710 3.186 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.092 6.481 1.991 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.757 6.511 2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.791 10.384 3.304 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.059 10.178 2.948 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.965 8.872 3.749 1.00 0.00 H new ATOM 543 N ILE A 36 4.085 4.978 -0.142 1.00 0.00 N ATOM 544 CA ILE A 36 3.227 3.868 -0.522 1.00 0.00 C ATOM 545 C ILE A 36 2.916 3.023 0.715 1.00 0.00 C ATOM 546 O ILE A 36 3.826 2.552 1.394 1.00 0.00 O ATOM 547 CB ILE A 36 3.856 3.073 -1.668 1.00 0.00 C ATOM 548 CG1 ILE A 36 4.491 4.007 -2.700 1.00 0.00 C ATOM 549 CG2 ILE A 36 2.836 2.125 -2.302 1.00 0.00 C ATOM 550 CD1 ILE A 36 5.152 3.210 -3.827 1.00 0.00 C ATOM 0 H ILE A 36 4.903 4.716 0.408 1.00 0.00 H new ATOM 0 HA ILE A 36 2.275 4.236 -0.905 1.00 0.00 H new ATOM 0 HB ILE A 36 4.656 2.457 -1.258 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.730 4.668 -3.115 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.233 4.641 -2.214 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.309 1.572 -3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.473 1.425 -1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.999 2.702 -2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.596 3.898 -4.547 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.929 2.568 -3.412 1.00 0.00 H new ATOM 0 HD13 ILE A 36 4.403 2.596 -4.326 1.00 0.00 H new ATOM 562 N GLU A 37 1.626 2.857 0.969 1.00 0.00 N ATOM 563 CA GLU A 37 1.183 2.077 2.112 1.00 0.00 C ATOM 564 C GLU A 37 0.147 1.038 1.677 1.00 0.00 C ATOM 565 O GLU A 37 -0.949 1.392 1.245 1.00 0.00 O ATOM 566 CB GLU A 37 0.623 2.983 3.210 1.00 0.00 C ATOM 567 CG GLU A 37 0.124 2.160 4.399 1.00 0.00 C ATOM 568 CD GLU A 37 1.292 1.685 5.266 1.00 0.00 C ATOM 569 OE1 GLU A 37 2.338 2.367 5.231 1.00 0.00 O ATOM 570 OE2 GLU A 37 1.111 0.650 5.944 1.00 0.00 O ATOM 0 H GLU A 37 0.874 3.249 0.403 1.00 0.00 H new ATOM 0 HA GLU A 37 2.044 1.552 2.524 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.395 3.677 3.542 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.194 3.583 2.810 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.559 2.760 5.000 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.440 1.299 4.039 1.00 0.00 H new ATOM 577 N ARG A 38 0.532 -0.223 1.806 1.00 0.00 N ATOM 578 CA ARG A 38 -0.350 -1.316 1.431 1.00 0.00 C ATOM 579 C ARG A 38 -0.635 -2.207 2.642 1.00 0.00 C ATOM 580 O ARG A 38 0.107 -2.184 3.622 1.00 0.00 O ATOM 581 CB ARG A 38 0.267 -2.164 0.317 1.00 0.00 C ATOM 582 CG ARG A 38 0.875 -1.279 -0.773 1.00 0.00 C ATOM 583 CD ARG A 38 1.890 -2.059 -1.611 1.00 0.00 C ATOM 584 NE ARG A 38 2.199 -1.317 -2.853 1.00 0.00 N ATOM 585 CZ ARG A 38 3.039 -1.755 -3.801 1.00 0.00 C ATOM 586 NH1 ARG A 38 3.658 -2.934 -3.654 1.00 0.00 N ATOM 587 NH2 ARG A 38 3.259 -1.013 -4.895 1.00 0.00 N ATOM 0 H ARG A 38 1.442 -0.513 2.165 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.281 -0.881 1.068 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.036 -2.814 0.734 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.495 -2.810 -0.118 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.084 -0.895 -1.418 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.361 -0.417 -0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 38 2.802 -2.218 -1.036 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.492 -3.044 -1.856 1.00 0.00 H new ATOM 0 HE ARG A 38 1.744 -0.415 -2.997 1.00 0.00 H new ATOM 0 HH11 ARG A 38 3.490 -3.498 -2.821 1.00 0.00 H new ATOM 0 HH12 ARG A 38 4.297 -3.268 -4.375 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.787 -0.115 -5.006 1.00 0.00 H new ATOM 0 HH22 ARG A 38 3.898 -1.346 -5.617 1.00 0.00 H new ATOM 601 N GLY A 39 -1.713 -2.970 2.534 1.00 0.00 N ATOM 602 CA GLY A 39 -2.105 -3.867 3.607 1.00 0.00 C ATOM 603 C GLY A 39 -3.330 -4.694 3.211 1.00 0.00 C ATOM 604 O GLY A 39 -3.805 -4.604 2.080 1.00 0.00 O ATOM 0 H GLY A 39 -2.327 -2.985 1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.276 -4.532 3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.326 -3.290 4.505 1.00 0.00 H new ATOM 608 N CYS A 40 -3.806 -5.482 4.164 1.00 0.00 N ATOM 609 CA CYS A 40 -4.966 -6.325 3.928 1.00 0.00 C ATOM 610 C CYS A 40 -6.224 -5.486 4.162 1.00 0.00 C ATOM 611 O CYS A 40 -6.207 -4.541 4.950 1.00 0.00 O ATOM 612 CB CYS A 40 -4.943 -7.577 4.807 1.00 0.00 C ATOM 613 SG CYS A 40 -3.882 -8.932 4.185 1.00 0.00 S ATOM 0 H CYS A 40 -3.410 -5.554 5.101 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.956 -6.684 2.899 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -4.604 -7.297 5.804 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -5.962 -7.950 4.910 1.00 0.00 H new ATOM 618 N GLY A 41 -7.285 -5.862 3.463 1.00 0.00 N ATOM 619 CA GLY A 41 -8.550 -5.156 3.585 1.00 0.00 C ATOM 620 C GLY A 41 -8.699 -4.106 2.483 1.00 0.00 C ATOM 621 O GLY A 41 -7.954 -4.116 1.504 1.00 0.00 O ATOM 0 H GLY A 41 -7.295 -6.646 2.810 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.374 -5.867 3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.610 -4.675 4.561 1.00 0.00 H new ATOM 625 N CYS A 42 -9.668 -3.223 2.678 1.00 0.00 N ATOM 626 CA CYS A 42 -9.925 -2.168 1.713 1.00 0.00 C ATOM 627 C CYS A 42 -10.387 -0.923 2.473 1.00 0.00 C ATOM 628 O CYS A 42 -11.568 -0.580 2.451 1.00 0.00 O ATOM 629 CB CYS A 42 -10.944 -2.603 0.657 1.00 0.00 C ATOM 630 SG CYS A 42 -11.451 -1.286 -0.509 1.00 0.00 S ATOM 0 H CYS A 42 -10.285 -3.217 3.491 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.009 -1.940 1.167 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -10.524 -3.432 0.087 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -11.832 -2.982 1.163 1.00 0.00 H new ATOM 635 N PRO A 43 -9.431 -0.281 3.128 1.00 0.00 N ATOM 636 CA PRO A 43 -9.648 0.931 3.920 1.00 0.00 C ATOM 637 C PRO A 43 -9.970 2.122 3.015 1.00 0.00 C ATOM 638 O PRO A 43 -10.027 1.980 1.795 1.00 0.00 O ATOM 639 CB PRO A 43 -8.308 1.135 4.631 1.00 0.00 C ATOM 640 CG PRO A 43 -7.314 0.498 3.705 1.00 0.00 C ATOM 641 CD PRO A 43 -8.028 -0.701 3.146 1.00 0.00 C ATOM 0 HA PRO A 43 -10.488 0.844 4.610 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.093 2.193 4.784 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.300 0.663 5.613 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.013 1.185 2.914 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -6.408 0.207 4.236 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.671 -0.952 2.147 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.880 -1.583 3.769 1.00 0.00 H new ATOM 649 N LYS A 44 -10.172 3.269 3.647 1.00 0.00 N ATOM 650 CA LYS A 44 -10.487 4.483 2.913 1.00 0.00 C ATOM 651 C LYS A 44 -9.348 5.489 3.088 1.00 0.00 C ATOM 652 O LYS A 44 -8.788 5.616 4.177 1.00 0.00 O ATOM 653 CB LYS A 44 -11.855 5.023 3.332 1.00 0.00 C ATOM 654 CG LYS A 44 -12.375 6.045 2.320 1.00 0.00 C ATOM 655 CD LYS A 44 -12.846 5.357 1.037 1.00 0.00 C ATOM 656 CE LYS A 44 -13.882 6.211 0.305 1.00 0.00 C ATOM 657 NZ LYS A 44 -13.386 7.595 0.134 1.00 0.00 N ATOM 0 H LYS A 44 -10.124 3.383 4.659 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.567 4.274 1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.564 4.199 3.419 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.781 5.486 4.316 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.199 6.609 2.758 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.588 6.762 2.085 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.993 5.175 0.384 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.276 4.385 1.278 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.100 5.773 -0.669 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -14.816 6.220 0.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.959 8.083 -0.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.457 8.104 1.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.393 7.572 -0.173 1.00 0.00 H new ATOM 671 N VAL A 45 -9.039 6.180 2.001 1.00 0.00 N ATOM 672 CA VAL A 45 -7.977 7.172 2.021 1.00 0.00 C ATOM 673 C VAL A 45 -8.579 8.562 1.805 1.00 0.00 C ATOM 674 O VAL A 45 -9.716 8.686 1.352 1.00 0.00 O ATOM 675 CB VAL A 45 -6.909 6.816 0.986 1.00 0.00 C ATOM 676 CG1 VAL A 45 -6.374 5.400 1.215 1.00 0.00 C ATOM 677 CG2 VAL A 45 -7.448 6.975 -0.437 1.00 0.00 C ATOM 0 H VAL A 45 -9.505 6.073 1.100 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.480 7.180 2.991 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.079 7.512 1.109 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.616 5.172 0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.933 5.334 2.209 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -7.192 4.684 1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.668 6.715 -1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -8.304 6.315 -0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.757 8.008 -0.596 1.00 0.00 H new ATOM 687 N LYS A 46 -7.790 9.572 2.138 1.00 0.00 N ATOM 688 CA LYS A 46 -8.230 10.949 1.985 1.00 0.00 C ATOM 689 C LYS A 46 -7.948 11.415 0.556 1.00 0.00 C ATOM 690 O LYS A 46 -7.263 10.728 -0.201 1.00 0.00 O ATOM 691 CB LYS A 46 -7.596 11.836 3.058 1.00 0.00 C ATOM 692 CG LYS A 46 -7.524 11.107 4.401 1.00 0.00 C ATOM 693 CD LYS A 46 -7.375 12.098 5.557 1.00 0.00 C ATOM 694 CE LYS A 46 -6.899 11.392 6.828 1.00 0.00 C ATOM 695 NZ LYS A 46 -5.604 10.716 6.592 1.00 0.00 N ATOM 0 H LYS A 46 -6.848 9.465 2.514 1.00 0.00 H new ATOM 0 HA LYS A 46 -9.307 11.024 2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.594 12.130 2.746 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.177 12.751 3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.425 10.510 4.543 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.681 10.416 4.399 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.665 12.878 5.283 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.330 12.588 5.745 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.796 12.116 7.636 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.644 10.663 7.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.096 10.615 7.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.773 9.775 6.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.032 11.282 5.933 1.00 0.00 H new ATOM 709 N PRO A 47 -8.490 12.578 0.229 1.00 0.00 N ATOM 710 CA PRO A 47 -8.352 13.215 -1.082 1.00 0.00 C ATOM 711 C PRO A 47 -6.872 13.454 -1.390 1.00 0.00 C ATOM 712 O PRO A 47 -6.129 13.942 -0.540 1.00 0.00 O ATOM 713 CB PRO A 47 -9.070 14.555 -0.912 1.00 0.00 C ATOM 714 CG PRO A 47 -10.045 14.300 0.201 1.00 0.00 C ATOM 715 CD PRO A 47 -9.305 13.388 1.138 1.00 0.00 C ATOM 0 HA PRO A 47 -8.759 12.613 -1.894 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.373 15.353 -0.658 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -9.578 14.856 -1.828 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.337 15.227 0.695 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -10.959 13.835 -0.169 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.690 13.946 1.844 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -9.987 12.773 1.726 1.00 0.00 H new ATOM 723 N GLY A 48 -6.488 13.098 -2.608 1.00 0.00 N ATOM 724 CA GLY A 48 -5.110 13.267 -3.037 1.00 0.00 C ATOM 725 C GLY A 48 -4.358 11.936 -3.004 1.00 0.00 C ATOM 726 O GLY A 48 -3.502 11.681 -3.850 1.00 0.00 O ATOM 0 H GLY A 48 -7.107 12.694 -3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -5.088 13.676 -4.047 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.610 13.987 -2.390 1.00 0.00 H new ATOM 730 N VAL A 49 -4.705 11.121 -2.018 1.00 0.00 N ATOM 731 CA VAL A 49 -4.073 9.822 -1.864 1.00 0.00 C ATOM 732 C VAL A 49 -4.731 8.823 -2.818 1.00 0.00 C ATOM 733 O VAL A 49 -5.931 8.903 -3.076 1.00 0.00 O ATOM 734 CB VAL A 49 -4.135 9.380 -0.401 1.00 0.00 C ATOM 735 CG1 VAL A 49 -3.081 8.310 -0.106 1.00 0.00 C ATOM 736 CG2 VAL A 49 -3.979 10.577 0.540 1.00 0.00 C ATOM 0 H VAL A 49 -5.416 11.335 -1.318 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.017 9.878 -2.129 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.117 8.941 -0.225 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.147 8.013 0.941 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.257 7.442 -0.741 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.088 8.712 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.027 10.236 1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.017 11.058 0.361 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -4.782 11.291 0.356 1.00 0.00 H new ATOM 746 N ASN A 50 -3.916 7.904 -3.316 1.00 0.00 N ATOM 747 CA ASN A 50 -4.404 6.891 -4.236 1.00 0.00 C ATOM 748 C ASN A 50 -4.663 5.593 -3.468 1.00 0.00 C ATOM 749 O ASN A 50 -3.926 5.258 -2.542 1.00 0.00 O ATOM 750 CB ASN A 50 -3.374 6.596 -5.328 1.00 0.00 C ATOM 751 CG ASN A 50 -3.376 7.693 -6.395 1.00 0.00 C ATOM 752 OD1 ASN A 50 -4.210 7.726 -7.285 1.00 0.00 O ATOM 753 ND2 ASN A 50 -2.400 8.585 -6.256 1.00 0.00 N ATOM 0 H ASN A 50 -2.921 7.840 -3.100 1.00 0.00 H new ATOM 0 HA ASN A 50 -5.319 7.266 -4.695 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.381 6.517 -4.885 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.594 5.634 -5.790 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.316 9.357 -6.918 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.735 8.498 -5.487 1.00 0.00 H new ATOM 760 N LEU A 51 -5.713 4.898 -3.882 1.00 0.00 N ATOM 761 CA LEU A 51 -6.078 3.645 -3.244 1.00 0.00 C ATOM 762 C LEU A 51 -6.617 2.678 -4.301 1.00 0.00 C ATOM 763 O LEU A 51 -7.362 3.081 -5.193 1.00 0.00 O ATOM 764 CB LEU A 51 -7.048 3.895 -2.087 1.00 0.00 C ATOM 765 CG LEU A 51 -7.670 2.649 -1.452 1.00 0.00 C ATOM 766 CD1 LEU A 51 -6.591 1.645 -1.044 1.00 0.00 C ATOM 767 CD2 LEU A 51 -8.575 3.027 -0.278 1.00 0.00 C ATOM 0 H LEU A 51 -6.322 5.179 -4.651 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.202 3.175 -2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -6.521 4.450 -1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.853 4.536 -2.446 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.297 2.161 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -7.060 0.769 -0.596 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -6.024 1.342 -1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -5.919 2.107 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.005 2.124 0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.990 3.550 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.376 3.677 -0.631 1.00 0.00 H new ATOM 779 N ASN A 52 -6.220 1.422 -4.165 1.00 0.00 N ATOM 780 CA ASN A 52 -6.654 0.395 -5.096 1.00 0.00 C ATOM 781 C ASN A 52 -6.995 -0.880 -4.322 1.00 0.00 C ATOM 782 O ASN A 52 -6.143 -1.438 -3.632 1.00 0.00 O ATOM 783 CB ASN A 52 -5.548 0.057 -6.098 1.00 0.00 C ATOM 784 CG ASN A 52 -6.060 -0.897 -7.179 1.00 0.00 C ATOM 785 OD1 ASN A 52 -6.596 -0.492 -8.198 1.00 0.00 O ATOM 786 ND2 ASN A 52 -5.866 -2.183 -6.902 1.00 0.00 N ATOM 0 H ASN A 52 -5.602 1.092 -3.424 1.00 0.00 H new ATOM 0 HA ASN A 52 -7.524 0.773 -5.632 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.180 0.972 -6.561 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -4.706 -0.398 -5.576 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.173 -2.899 -7.561 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.411 -2.454 -6.030 1.00 0.00 H new ATOM 793 N CYS A 53 -8.243 -1.302 -4.461 1.00 0.00 N ATOM 794 CA CYS A 53 -8.708 -2.500 -3.782 1.00 0.00 C ATOM 795 C CYS A 53 -8.970 -3.578 -4.836 1.00 0.00 C ATOM 796 O CYS A 53 -9.407 -3.274 -5.945 1.00 0.00 O ATOM 797 CB CYS A 53 -9.947 -2.223 -2.929 1.00 0.00 C ATOM 798 SG CYS A 53 -9.727 -0.930 -1.653 1.00 0.00 S ATOM 0 H CYS A 53 -8.947 -0.836 -5.034 1.00 0.00 H new ATOM 0 HA CYS A 53 -7.942 -2.848 -3.089 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.765 -1.929 -3.587 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.248 -3.149 -2.440 1.00 0.00 H new ATOM 803 N CYS A 54 -8.692 -4.816 -4.452 1.00 0.00 N ATOM 804 CA CYS A 54 -8.892 -5.940 -5.351 1.00 0.00 C ATOM 805 C CYS A 54 -9.143 -7.191 -4.506 1.00 0.00 C ATOM 806 O CYS A 54 -8.862 -7.202 -3.308 1.00 0.00 O ATOM 807 CB CYS A 54 -7.708 -6.122 -6.302 1.00 0.00 C ATOM 808 SG CYS A 54 -6.069 -5.786 -5.561 1.00 0.00 S ATOM 0 H CYS A 54 -8.330 -5.065 -3.531 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.757 -5.751 -5.986 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.717 -7.144 -6.680 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.845 -5.464 -7.160 1.00 0.00 H new ATOM 813 N ARG A 55 -9.669 -8.214 -5.163 1.00 0.00 N ATOM 814 CA ARG A 55 -9.960 -9.467 -4.487 1.00 0.00 C ATOM 815 C ARG A 55 -9.029 -10.572 -4.991 1.00 0.00 C ATOM 816 O ARG A 55 -9.475 -11.680 -5.282 1.00 0.00 O ATOM 817 CB ARG A 55 -11.412 -9.891 -4.715 1.00 0.00 C ATOM 818 CG ARG A 55 -12.382 -8.859 -4.135 1.00 0.00 C ATOM 819 CD ARG A 55 -13.682 -8.815 -4.941 1.00 0.00 C ATOM 820 NE ARG A 55 -14.600 -9.880 -4.480 1.00 0.00 N ATOM 821 CZ ARG A 55 -15.729 -10.225 -5.114 1.00 0.00 C ATOM 822 NH1 ARG A 55 -16.087 -9.590 -6.239 1.00 0.00 N ATOM 823 NH2 ARG A 55 -16.501 -11.204 -4.623 1.00 0.00 N ATOM 0 H ARG A 55 -9.901 -8.201 -6.156 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.801 -9.312 -3.420 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.597 -10.009 -5.783 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -11.588 -10.862 -4.252 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.602 -9.105 -3.096 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.915 -7.874 -4.137 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.157 -7.840 -4.828 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.466 -8.943 -6.002 1.00 0.00 H new ATOM 0 HE ARG A 55 -14.358 -10.383 -3.626 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.500 -8.844 -6.613 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -16.946 -9.853 -6.722 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -16.229 -11.687 -3.767 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -17.360 -11.466 -5.106 1.00 0.00 H new ATOM 837 N THR A 56 -7.752 -10.230 -5.079 1.00 0.00 N ATOM 838 CA THR A 56 -6.753 -11.179 -5.543 1.00 0.00 C ATOM 839 C THR A 56 -5.544 -11.181 -4.607 1.00 0.00 C ATOM 840 O THR A 56 -5.163 -10.139 -4.076 1.00 0.00 O ATOM 841 CB THR A 56 -6.402 -10.825 -6.990 1.00 0.00 C ATOM 842 OG1 THR A 56 -6.492 -9.404 -7.031 1.00 0.00 O ATOM 843 CG2 THR A 56 -7.466 -11.295 -7.983 1.00 0.00 C ATOM 0 H THR A 56 -7.386 -9.309 -4.837 1.00 0.00 H new ATOM 0 HA THR A 56 -7.138 -12.199 -5.527 1.00 0.00 H new ATOM 0 HB THR A 56 -5.442 -11.271 -7.250 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.278 -9.089 -7.934 1.00 0.00 H new ATOM 0 HG21 THR A 56 -7.167 -11.018 -8.994 1.00 0.00 H new ATOM 0 HG22 THR A 56 -7.570 -12.378 -7.919 1.00 0.00 H new ATOM 0 HG23 THR A 56 -8.420 -10.824 -7.745 1.00 0.00 H new ATOM 851 N ASP A 57 -4.973 -12.364 -4.433 1.00 0.00 N ATOM 852 CA ASP A 57 -3.814 -12.515 -3.569 1.00 0.00 C ATOM 853 C ASP A 57 -2.663 -11.667 -4.114 1.00 0.00 C ATOM 854 O ASP A 57 -2.452 -11.604 -5.324 1.00 0.00 O ATOM 855 CB ASP A 57 -3.347 -13.972 -3.524 1.00 0.00 C ATOM 856 CG ASP A 57 -4.393 -14.970 -3.024 1.00 0.00 C ATOM 857 OD1 ASP A 57 -4.548 -15.058 -1.786 1.00 0.00 O ATOM 858 OD2 ASP A 57 -5.014 -15.624 -3.890 1.00 0.00 O ATOM 0 H ASP A 57 -5.291 -13.226 -4.875 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.097 -12.195 -2.566 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.033 -14.268 -4.525 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.469 -14.037 -2.882 1.00 0.00 H new ATOM 863 N ARG A 58 -1.949 -11.036 -3.194 1.00 0.00 N ATOM 864 CA ARG A 58 -0.824 -10.194 -3.567 1.00 0.00 C ATOM 865 C ARG A 58 -1.172 -9.360 -4.802 1.00 0.00 C ATOM 866 O ARG A 58 -0.330 -9.157 -5.676 1.00 0.00 O ATOM 867 CB ARG A 58 0.419 -11.035 -3.862 1.00 0.00 C ATOM 868 CG ARG A 58 0.540 -12.199 -2.877 1.00 0.00 C ATOM 869 CD ARG A 58 1.975 -12.729 -2.828 1.00 0.00 C ATOM 870 NE ARG A 58 2.186 -13.504 -1.585 1.00 0.00 N ATOM 871 CZ ARG A 58 3.292 -14.212 -1.320 1.00 0.00 C ATOM 872 NH1 ARG A 58 4.293 -14.249 -2.209 1.00 0.00 N ATOM 873 NH2 ARG A 58 3.397 -14.884 -0.165 1.00 0.00 N ATOM 0 H ARG A 58 -2.127 -11.090 -2.191 1.00 0.00 H new ATOM 0 HA ARG A 58 -0.611 -9.534 -2.726 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.369 -11.420 -4.881 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.309 -10.409 -3.801 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.235 -11.872 -1.883 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.138 -13.001 -3.171 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.169 -13.359 -3.696 1.00 0.00 H new ATOM 0 HD3 ARG A 58 2.680 -11.899 -2.873 1.00 0.00 H new ATOM 0 HE ARG A 58 1.443 -13.499 -0.886 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.213 -13.738 -3.088 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.135 -14.788 -2.007 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.635 -14.856 0.512 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.239 -15.423 0.037 1.00 0.00 H new ATOM 887 N CYS A 59 -2.415 -8.900 -4.836 1.00 0.00 N ATOM 888 CA CYS A 59 -2.884 -8.093 -5.949 1.00 0.00 C ATOM 889 C CYS A 59 -2.548 -6.630 -5.657 1.00 0.00 C ATOM 890 O CYS A 59 -2.447 -5.817 -6.575 1.00 0.00 O ATOM 891 CB CYS A 59 -4.379 -8.296 -6.204 1.00 0.00 C ATOM 892 SG CYS A 59 -5.479 -7.573 -4.933 1.00 0.00 S ATOM 0 H CYS A 59 -3.111 -9.071 -4.110 1.00 0.00 H new ATOM 0 HA CYS A 59 -2.381 -8.404 -6.865 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.630 -7.862 -7.172 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.580 -9.365 -6.273 1.00 0.00 H new ATOM 897 N ASN A 60 -2.385 -6.338 -4.375 1.00 0.00 N ATOM 898 CA ASN A 60 -2.063 -4.986 -3.950 1.00 0.00 C ATOM 899 C ASN A 60 -0.547 -4.854 -3.790 1.00 0.00 C ATOM 900 O ASN A 60 -0.069 -4.325 -2.788 1.00 0.00 O ATOM 901 CB ASN A 60 -2.711 -4.663 -2.602 1.00 0.00 C ATOM 902 CG ASN A 60 -2.086 -5.495 -1.480 1.00 0.00 C ATOM 903 OD1 ASN A 60 -1.808 -6.674 -1.627 1.00 0.00 O ATOM 904 ND2 ASN A 60 -1.881 -4.817 -0.354 1.00 0.00 N ATOM 0 H ASN A 60 -2.470 -7.015 -3.616 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.440 -4.296 -4.705 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.592 -3.602 -2.382 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.782 -4.860 -2.653 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.468 -5.283 0.454 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.137 -3.831 -0.298 1.00 0.00 H new ATOM 911 N ASN A 61 0.167 -5.344 -4.793 1.00 0.00 N ATOM 912 CA ASN A 61 1.619 -5.288 -4.776 1.00 0.00 C ATOM 913 C ASN A 61 2.086 -4.047 -5.540 1.00 0.00 C ATOM 914 O ASN A 61 1.231 -3.163 -5.763 1.00 0.00 O ATOM 915 CB ASN A 61 2.226 -6.518 -5.454 1.00 0.00 C ATOM 916 CG ASN A 61 2.216 -6.365 -6.976 1.00 0.00 C ATOM 917 OD1 ASN A 61 1.217 -6.586 -7.641 1.00 0.00 O ATOM 918 ND2 ASN A 61 3.380 -5.977 -7.489 1.00 0.00 N ATOM 919 OXT ASN A 61 3.287 -4.012 -5.885 1.00 0.00 O ATOM 0 H ASN A 61 -0.233 -5.782 -5.623 1.00 0.00 H new ATOM 0 HA ASN A 61 1.943 -5.254 -3.736 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.249 -6.662 -5.106 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.665 -7.408 -5.171 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.476 -5.847 -8.496 1.00 0.00 H new ATOM 0 HD22 ASN A 61 4.177 -5.809 -6.875 1.00 0.00 H new TER 926 ASN A 61