USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 646 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: B 221 TYR OH : rot 88:sc= 1.07 USER MOD Set 1.2: B 245 THR OG1 : rot 90:sc= 1.07 USER MOD Set 2.1: B 211 THR OG1 : rot 171:sc= 0.955 USER MOD Set 2.2: B 218 SER OG : rot 68:sc= 1.11 USER MOD Set 3.1: A 21 TYR OH : rot 93:sc= 1.13 USER MOD Set 3.2: A 45 THR OG1 : rot 87:sc= 1.49 USER MOD Set 4.1: A 11 THR OG1 : rot 170:sc= -2.25! USER MOD Set 4.2: A 18 SER OG : rot 38:sc= 1.05 USER MOD Set 5.1: A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 5.2: B 207 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= -3.47! USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -29:sc= -2.46! USER MOD Single : A 12 ASN : amide:sc= -7.97! C(o=-8!,f=-25!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.288 X(o=-0.29,f=-0.45) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 45:sc= 0.066 USER MOD Single : A 27 MET CE :methyl 145:sc= -1.05! (180deg=-3.57!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0811 USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0187) USER MOD Single : A 44 ASN : amide:sc= -1.04! X(o=-1!,f=-0.67) USER MOD Single : B 203 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 205 THR OG1 : rot 180:sc= -3.56! USER MOD Single : B 206 TYR OH : rot 180:sc= 0 USER MOD Single : B 209 THR OG1 : rot 180:sc= -0.1 USER MOD Single : B 212 ASN : amide:sc= -4.84! C(o=-4.8!,f=-5.6!) USER MOD Single : B 213 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 214 SER OG : rot 180:sc= 0 USER MOD Single : B 215 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.51) USER MOD Single : B 223 THR OG1 : rot 180:sc= 0 USER MOD Single : B 225 THR OG1 : rot 180:sc= -0.503 USER MOD Single : B 227 MET CE :methyl -130:sc= -1.66 (180deg=-4.52!) USER MOD Single : B 228 THR OG1 : rot 180:sc= -0.983 USER MOD Single : B 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 244 ASN :FLIP amide:sc= -0.595 F(o=-1.4,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 3 -0.999 -20.377 -6.433 1.00 0.00 N ATOM 26 CA LYS A 3 -0.003 -20.036 -5.431 1.00 0.00 C ATOM 27 C LYS A 3 -0.537 -18.905 -4.551 1.00 0.00 C ATOM 28 O LYS A 3 -1.541 -18.278 -4.882 1.00 0.00 O ATOM 29 CB LYS A 3 1.338 -19.718 -6.096 1.00 0.00 C ATOM 30 CG LYS A 3 2.047 -20.998 -6.540 1.00 0.00 C ATOM 31 CD LYS A 3 1.040 -22.045 -7.021 1.00 0.00 C ATOM 32 CE LYS A 3 1.754 -23.249 -7.639 1.00 0.00 C ATOM 33 NZ LYS A 3 0.813 -24.045 -8.458 1.00 0.00 N ATOM 0 HA LYS A 3 0.186 -20.887 -4.776 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.176 -19.070 -6.958 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.972 -19.170 -5.400 1.00 0.00 H new ATOM 0 HG2 LYS A 3 2.750 -20.769 -7.341 1.00 0.00 H new ATOM 0 HG3 LYS A 3 2.629 -21.402 -5.711 1.00 0.00 H new ATOM 0 HD2 LYS A 3 0.424 -22.373 -6.184 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.369 -21.599 -7.755 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.585 -22.909 -8.257 1.00 0.00 H new ATOM 0 HE3 LYS A 3 2.177 -23.872 -6.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.314 -24.858 -8.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 0.034 -24.385 -7.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.429 -23.452 -9.221 1.00 0.00 H new ATOM 47 N ALA A 4 0.159 -18.678 -3.447 1.00 0.00 N ATOM 48 CA ALA A 4 -0.233 -17.634 -2.516 1.00 0.00 C ATOM 49 C ALA A 4 0.744 -16.463 -2.630 1.00 0.00 C ATOM 50 O ALA A 4 1.789 -16.454 -1.979 1.00 0.00 O ATOM 51 CB ALA A 4 -0.292 -18.207 -1.098 1.00 0.00 C ATOM 0 H ALA A 4 0.993 -19.200 -3.176 1.00 0.00 H new ATOM 0 HA ALA A 4 -1.228 -17.260 -2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -0.586 -17.423 -0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -1.021 -19.016 -1.063 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.689 -18.591 -0.819 1.00 0.00 H new ATOM 57 N THR A 5 0.372 -15.501 -3.462 1.00 0.00 N ATOM 58 CA THR A 5 1.204 -14.327 -3.669 1.00 0.00 C ATOM 59 C THR A 5 0.342 -13.064 -3.706 1.00 0.00 C ATOM 60 O THR A 5 -0.848 -13.127 -4.010 1.00 0.00 O ATOM 61 CB THR A 5 2.018 -14.544 -4.946 1.00 0.00 C ATOM 62 OG1 THR A 5 1.035 -14.802 -5.946 1.00 0.00 O ATOM 63 CG2 THR A 5 2.847 -15.830 -4.900 1.00 0.00 C ATOM 0 H THR A 5 -0.494 -15.510 -4.001 1.00 0.00 H new ATOM 0 HA THR A 5 1.900 -14.184 -2.843 1.00 0.00 H new ATOM 0 HB THR A 5 2.678 -13.691 -5.105 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.477 -14.952 -6.808 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.405 -15.936 -5.830 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.543 -15.785 -4.062 1.00 0.00 H new ATOM 0 HG23 THR A 5 2.184 -16.686 -4.775 1.00 0.00 H new ATOM 71 N TYR A 6 0.976 -11.944 -3.393 1.00 0.00 N ATOM 72 CA TYR A 6 0.283 -10.667 -3.387 1.00 0.00 C ATOM 73 C TYR A 6 1.118 -9.586 -4.077 1.00 0.00 C ATOM 74 O TYR A 6 2.333 -9.524 -3.896 1.00 0.00 O ATOM 75 CB TYR A 6 0.104 -10.292 -1.914 1.00 0.00 C ATOM 76 CG TYR A 6 -1.178 -10.841 -1.284 1.00 0.00 C ATOM 77 CD1 TYR A 6 -2.378 -10.190 -1.483 1.00 0.00 C ATOM 78 CD2 TYR A 6 -1.133 -11.988 -0.517 1.00 0.00 C ATOM 79 CE1 TYR A 6 -3.584 -10.707 -0.889 1.00 0.00 C ATOM 80 CE2 TYR A 6 -2.339 -12.505 0.076 1.00 0.00 C ATOM 81 CZ TYR A 6 -3.505 -11.839 -0.139 1.00 0.00 C ATOM 82 OH TYR A 6 -4.644 -12.327 0.421 1.00 0.00 O ATOM 0 H TYR A 6 1.963 -11.894 -3.141 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.666 -10.743 -3.918 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.961 -10.660 -1.349 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.105 -9.206 -1.823 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -2.413 -9.293 -2.084 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -0.193 -12.497 -0.362 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -4.530 -10.207 -1.036 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -2.318 -13.401 0.678 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.437 -13.140 0.928 1.00 0.00 H new ATOM 92 N THR A 7 0.432 -8.761 -4.855 1.00 0.00 N ATOM 93 CA THR A 7 1.095 -7.686 -5.573 1.00 0.00 C ATOM 94 C THR A 7 0.597 -6.326 -5.077 1.00 0.00 C ATOM 95 O THR A 7 -0.583 -6.006 -5.214 1.00 0.00 O ATOM 96 CB THR A 7 0.866 -7.907 -7.070 1.00 0.00 C ATOM 97 OG1 THR A 7 1.557 -9.122 -7.350 1.00 0.00 O ATOM 98 CG2 THR A 7 1.581 -6.864 -7.931 1.00 0.00 C ATOM 0 H THR A 7 -0.576 -8.816 -5.004 1.00 0.00 H new ATOM 0 HA THR A 7 2.169 -7.691 -5.389 1.00 0.00 H new ATOM 0 HB THR A 7 -0.203 -7.882 -7.282 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.460 -9.342 -8.300 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.386 -7.066 -8.984 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.213 -5.870 -7.678 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.654 -6.912 -7.745 1.00 0.00 H new ATOM 106 N VAL A 8 1.522 -5.565 -4.512 1.00 0.00 N ATOM 107 CA VAL A 8 1.192 -4.248 -3.994 1.00 0.00 C ATOM 108 C VAL A 8 1.651 -3.182 -4.992 1.00 0.00 C ATOM 109 O VAL A 8 2.804 -3.186 -5.423 1.00 0.00 O ATOM 110 CB VAL A 8 1.799 -4.064 -2.602 1.00 0.00 C ATOM 111 CG1 VAL A 8 1.659 -2.616 -2.129 1.00 0.00 C ATOM 112 CG2 VAL A 8 1.171 -5.032 -1.599 1.00 0.00 C ATOM 0 H VAL A 8 2.499 -5.835 -4.401 1.00 0.00 H new ATOM 0 HA VAL A 8 0.113 -4.143 -3.879 1.00 0.00 H new ATOM 0 HB VAL A 8 2.863 -4.293 -2.667 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.099 -2.513 -1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.175 -1.954 -2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.603 -2.347 -2.088 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.620 -4.881 -0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.098 -4.849 -1.539 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.347 -6.057 -1.924 1.00 0.00 H new ATOM 122 N THR A 9 0.727 -2.295 -5.331 1.00 0.00 N ATOM 123 CA THR A 9 1.023 -1.227 -6.269 1.00 0.00 C ATOM 124 C THR A 9 0.825 0.137 -5.606 1.00 0.00 C ATOM 125 O THR A 9 -0.253 0.431 -5.093 1.00 0.00 O ATOM 126 CB THR A 9 0.150 -1.432 -7.510 1.00 0.00 C ATOM 127 OG1 THR A 9 0.118 -2.845 -7.681 1.00 0.00 O ATOM 128 CG2 THR A 9 0.817 -0.916 -8.787 1.00 0.00 C ATOM 0 H THR A 9 -0.228 -2.295 -4.972 1.00 0.00 H new ATOM 0 HA THR A 9 2.067 -1.253 -6.580 1.00 0.00 H new ATOM 0 HB THR A 9 -0.805 -0.926 -7.370 1.00 0.00 H new ATOM 0 HG1 THR A 9 0.948 -3.235 -7.336 1.00 0.00 H new ATOM 0 HG21 THR A 9 0.156 -1.086 -9.637 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.015 0.151 -8.688 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.756 -1.446 -8.946 1.00 0.00 H new ATOM 136 N VAL A 10 1.884 0.934 -5.636 1.00 0.00 N ATOM 137 CA VAL A 10 1.839 2.259 -5.043 1.00 0.00 C ATOM 138 C VAL A 10 2.163 3.303 -6.114 1.00 0.00 C ATOM 139 O VAL A 10 3.253 3.295 -6.684 1.00 0.00 O ATOM 140 CB VAL A 10 2.782 2.325 -3.839 1.00 0.00 C ATOM 141 CG1 VAL A 10 3.186 3.770 -3.539 1.00 0.00 C ATOM 142 CG2 VAL A 10 2.151 1.666 -2.611 1.00 0.00 C ATOM 0 H VAL A 10 2.777 0.687 -6.062 1.00 0.00 H new ATOM 0 HA VAL A 10 0.839 2.477 -4.668 1.00 0.00 H new ATOM 0 HB VAL A 10 3.685 1.769 -4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.856 3.790 -2.679 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.695 4.193 -4.405 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.295 4.358 -3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 10 2.842 1.727 -1.770 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.224 2.181 -2.357 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.936 0.620 -2.829 1.00 0.00 H new ATOM 152 N THR A 11 1.196 4.176 -6.355 1.00 0.00 N ATOM 153 CA THR A 11 1.365 5.224 -7.347 1.00 0.00 C ATOM 154 C THR A 11 1.175 6.600 -6.706 1.00 0.00 C ATOM 155 O THR A 11 0.303 6.780 -5.857 1.00 0.00 O ATOM 156 CB THR A 11 0.391 4.949 -8.495 1.00 0.00 C ATOM 157 OG1 THR A 11 0.820 3.697 -9.021 1.00 0.00 O ATOM 158 CG2 THR A 11 0.569 5.925 -9.660 1.00 0.00 C ATOM 0 H THR A 11 0.293 4.179 -5.881 1.00 0.00 H new ATOM 0 HA THR A 11 2.377 5.226 -7.753 1.00 0.00 H new ATOM 0 HB THR A 11 -0.633 5.009 -8.125 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.154 3.365 -9.659 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.146 5.686 -10.447 1.00 0.00 H new ATOM 0 HG22 THR A 11 0.397 6.943 -9.311 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.582 5.842 -10.053 1.00 0.00 H new ATOM 166 N ASN A 12 2.005 7.539 -7.138 1.00 0.00 N ATOM 167 CA ASN A 12 1.941 8.893 -6.618 1.00 0.00 C ATOM 168 C ASN A 12 1.195 9.783 -7.615 1.00 0.00 C ATOM 169 O ASN A 12 1.776 10.240 -8.598 1.00 0.00 O ATOM 170 CB ASN A 12 3.342 9.475 -6.419 1.00 0.00 C ATOM 171 CG ASN A 12 4.214 9.236 -7.653 1.00 0.00 C ATOM 172 OD1 ASN A 12 3.748 8.830 -8.705 1.00 0.00 O ATOM 173 ND2 ASN A 12 5.502 9.509 -7.466 1.00 0.00 N ATOM 0 H ASN A 12 2.726 7.387 -7.843 1.00 0.00 H new ATOM 0 HA ASN A 12 1.426 8.861 -5.658 1.00 0.00 H new ATOM 0 HB2 ASN A 12 3.271 10.544 -6.221 1.00 0.00 H new ATOM 0 HB3 ASN A 12 3.809 9.019 -5.546 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.166 9.381 -8.229 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.825 9.846 -6.559 1.00 0.00 H new ATOM 180 N ASN A 13 -0.078 10.003 -7.325 1.00 0.00 N ATOM 181 CA ASN A 13 -0.908 10.829 -8.185 1.00 0.00 C ATOM 182 C ASN A 13 -0.277 12.217 -8.315 1.00 0.00 C ATOM 183 O ASN A 13 -0.640 12.987 -9.203 1.00 0.00 O ATOM 184 CB ASN A 13 -2.311 11.002 -7.595 1.00 0.00 C ATOM 185 CG ASN A 13 -3.355 10.270 -8.441 1.00 0.00 C ATOM 186 OD1 ASN A 13 -3.815 10.755 -9.461 1.00 0.00 O ATOM 187 ND2 ASN A 13 -3.701 9.079 -7.961 1.00 0.00 N ATOM 0 H ASN A 13 -0.555 9.624 -6.507 1.00 0.00 H new ATOM 0 HA ASN A 13 -0.982 10.338 -9.155 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.330 10.618 -6.575 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.559 12.062 -7.542 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.391 8.512 -8.453 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.276 8.733 -7.101 1.00 0.00 H new ATOM 194 N SER A 14 0.658 12.493 -7.417 1.00 0.00 N ATOM 195 CA SER A 14 1.344 13.774 -7.421 1.00 0.00 C ATOM 196 C SER A 14 2.383 13.808 -8.543 1.00 0.00 C ATOM 197 O SER A 14 2.612 14.852 -9.153 1.00 0.00 O ATOM 198 CB SER A 14 2.010 14.047 -6.072 1.00 0.00 C ATOM 199 OG SER A 14 3.379 13.651 -6.063 1.00 0.00 O ATOM 0 H SER A 14 0.956 11.852 -6.682 1.00 0.00 H new ATOM 0 HA SER A 14 0.605 14.556 -7.595 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.938 15.110 -5.841 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.473 13.513 -5.288 1.00 0.00 H new ATOM 0 HG SER A 14 3.769 13.843 -5.185 1.00 0.00 H new ATOM 205 N ASN A 15 2.987 12.653 -8.782 1.00 0.00 N ATOM 206 CA ASN A 15 3.998 12.536 -9.819 1.00 0.00 C ATOM 207 C ASN A 15 3.453 11.675 -10.961 1.00 0.00 C ATOM 208 O ASN A 15 4.116 11.501 -11.982 1.00 0.00 O ATOM 209 CB ASN A 15 5.263 11.865 -9.283 1.00 0.00 C ATOM 210 CG ASN A 15 6.507 12.688 -9.622 1.00 0.00 C ATOM 211 OD1 ASN A 15 6.524 13.905 -9.524 1.00 0.00 O ATOM 212 ND2 ASN A 15 7.544 11.961 -10.025 1.00 0.00 N ATOM 0 H ASN A 15 2.795 11.789 -8.275 1.00 0.00 H new ATOM 0 HA ASN A 15 4.243 13.540 -10.166 1.00 0.00 H new ATOM 0 HB2 ASN A 15 5.185 11.745 -8.202 1.00 0.00 H new ATOM 0 HB3 ASN A 15 5.357 10.866 -9.708 1.00 0.00 H new ATOM 0 HD21 ASN A 15 8.421 12.418 -10.275 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.463 10.946 -10.085 1.00 0.00 H new ATOM 219 N GLY A 16 2.252 11.159 -10.750 1.00 0.00 N ATOM 220 CA GLY A 16 1.611 10.320 -11.748 1.00 0.00 C ATOM 221 C GLY A 16 2.432 9.056 -12.010 1.00 0.00 C ATOM 222 O GLY A 16 2.174 8.332 -12.971 1.00 0.00 O ATOM 0 H GLY A 16 1.705 11.306 -9.902 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.612 10.045 -11.410 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.491 10.879 -12.676 1.00 0.00 H new ATOM 226 N VAL A 17 3.403 8.827 -11.138 1.00 0.00 N ATOM 227 CA VAL A 17 4.262 7.662 -11.263 1.00 0.00 C ATOM 228 C VAL A 17 3.642 6.492 -10.498 1.00 0.00 C ATOM 229 O VAL A 17 3.038 6.685 -9.444 1.00 0.00 O ATOM 230 CB VAL A 17 5.677 8.003 -10.791 1.00 0.00 C ATOM 231 CG1 VAL A 17 6.565 6.758 -10.775 1.00 0.00 C ATOM 232 CG2 VAL A 17 6.293 9.106 -11.655 1.00 0.00 C ATOM 0 H VAL A 17 3.614 9.429 -10.342 1.00 0.00 H new ATOM 0 HA VAL A 17 4.346 7.359 -12.307 1.00 0.00 H new ATOM 0 HB VAL A 17 5.608 8.378 -9.770 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.565 7.029 -10.436 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.140 6.017 -10.098 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.624 6.340 -11.780 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.298 9.329 -11.298 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.342 8.772 -12.691 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.678 10.004 -11.592 1.00 0.00 H new ATOM 242 N SER A 18 3.812 5.304 -11.058 1.00 0.00 N ATOM 243 CA SER A 18 3.276 4.101 -10.442 1.00 0.00 C ATOM 244 C SER A 18 4.411 3.126 -10.125 1.00 0.00 C ATOM 245 O SER A 18 5.483 3.199 -10.724 1.00 0.00 O ATOM 246 CB SER A 18 2.239 3.433 -11.348 1.00 0.00 C ATOM 247 OG SER A 18 1.706 2.248 -10.764 1.00 0.00 O ATOM 0 H SER A 18 4.314 5.148 -11.932 1.00 0.00 H new ATOM 0 HA SER A 18 2.779 4.384 -9.514 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.429 4.134 -11.550 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.697 3.190 -12.307 1.00 0.00 H new ATOM 0 HG SER A 18 1.603 2.377 -9.798 1.00 0.00 H new ATOM 253 N VAL A 19 4.137 2.235 -9.183 1.00 0.00 N ATOM 254 CA VAL A 19 5.121 1.246 -8.778 1.00 0.00 C ATOM 255 C VAL A 19 4.403 0.021 -8.210 1.00 0.00 C ATOM 256 O VAL A 19 3.557 0.147 -7.326 1.00 0.00 O ATOM 257 CB VAL A 19 6.114 1.869 -7.794 1.00 0.00 C ATOM 258 CG1 VAL A 19 6.930 0.788 -7.083 1.00 0.00 C ATOM 259 CG2 VAL A 19 7.028 2.873 -8.497 1.00 0.00 C ATOM 0 H VAL A 19 3.247 2.178 -8.688 1.00 0.00 H new ATOM 0 HA VAL A 19 5.703 0.911 -9.637 1.00 0.00 H new ATOM 0 HB VAL A 19 5.543 2.410 -7.039 1.00 0.00 H new ATOM 0 HG11 VAL A 19 7.628 1.256 -6.389 1.00 0.00 H new ATOM 0 HG12 VAL A 19 6.259 0.129 -6.533 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.485 0.208 -7.820 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.723 3.300 -7.774 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.588 2.367 -9.284 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.426 3.669 -8.935 1.00 0.00 H new ATOM 269 N ASP A 20 4.767 -1.138 -8.739 1.00 0.00 N ATOM 270 CA ASP A 20 4.168 -2.385 -8.296 1.00 0.00 C ATOM 271 C ASP A 20 5.261 -3.301 -7.743 1.00 0.00 C ATOM 272 O ASP A 20 6.388 -3.300 -8.237 1.00 0.00 O ATOM 273 CB ASP A 20 3.484 -3.110 -9.456 1.00 0.00 C ATOM 274 CG ASP A 20 2.114 -3.706 -9.129 1.00 0.00 C ATOM 275 OD1 ASP A 20 1.995 -4.284 -8.026 1.00 0.00 O ATOM 276 OD2 ASP A 20 1.215 -3.569 -9.987 1.00 0.00 O ATOM 0 H ASP A 20 5.470 -1.239 -9.471 1.00 0.00 H new ATOM 0 HA ASP A 20 3.427 -2.151 -7.531 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.371 -2.411 -10.285 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.139 -3.910 -9.801 1.00 0.00 H new ATOM 281 N TYR A 21 4.890 -4.063 -6.725 1.00 0.00 N ATOM 282 CA TYR A 21 5.824 -4.984 -6.098 1.00 0.00 C ATOM 283 C TYR A 21 5.139 -6.305 -5.745 1.00 0.00 C ATOM 284 O TYR A 21 4.106 -6.313 -5.077 1.00 0.00 O ATOM 285 CB TYR A 21 6.288 -4.303 -4.809 1.00 0.00 C ATOM 286 CG TYR A 21 7.614 -3.552 -4.945 1.00 0.00 C ATOM 287 CD1 TYR A 21 7.707 -2.460 -5.784 1.00 0.00 C ATOM 288 CD2 TYR A 21 8.718 -3.966 -4.226 1.00 0.00 C ATOM 289 CE1 TYR A 21 8.954 -1.753 -5.912 1.00 0.00 C ATOM 290 CE2 TYR A 21 9.966 -3.258 -4.353 1.00 0.00 C ATOM 291 CZ TYR A 21 10.022 -2.187 -5.190 1.00 0.00 C ATOM 292 OH TYR A 21 11.202 -1.519 -5.310 1.00 0.00 O ATOM 0 H TYR A 21 3.955 -4.062 -6.318 1.00 0.00 H new ATOM 0 HA TYR A 21 6.650 -5.210 -6.772 1.00 0.00 H new ATOM 0 HB2 TYR A 21 5.518 -3.604 -4.482 1.00 0.00 H new ATOM 0 HB3 TYR A 21 6.387 -5.056 -4.028 1.00 0.00 H new ATOM 0 HD1 TYR A 21 6.843 -2.136 -6.345 1.00 0.00 H new ATOM 0 HD2 TYR A 21 8.646 -4.820 -3.569 1.00 0.00 H new ATOM 0 HE1 TYR A 21 9.040 -0.898 -6.566 1.00 0.00 H new ATOM 0 HE2 TYR A 21 10.837 -3.570 -3.796 1.00 0.00 H new ATOM 0 HH TYR A 21 11.260 -0.830 -4.615 1.00 0.00 H new ATOM 302 N GLU A 22 5.742 -7.390 -6.208 1.00 0.00 N ATOM 303 CA GLU A 22 5.203 -8.715 -5.949 1.00 0.00 C ATOM 304 C GLU A 22 5.784 -9.280 -4.652 1.00 0.00 C ATOM 305 O GLU A 22 6.976 -9.574 -4.578 1.00 0.00 O ATOM 306 CB GLU A 22 5.471 -9.655 -7.126 1.00 0.00 C ATOM 307 CG GLU A 22 4.961 -11.067 -6.826 1.00 0.00 C ATOM 308 CD GLU A 22 5.572 -12.086 -7.790 1.00 0.00 C ATOM 309 OE1 GLU A 22 6.743 -11.874 -8.174 1.00 0.00 O ATOM 310 OE2 GLU A 22 4.854 -13.054 -8.121 1.00 0.00 O ATOM 0 H GLU A 22 6.599 -7.379 -6.761 1.00 0.00 H new ATOM 0 HA GLU A 22 4.122 -8.631 -5.833 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.983 -9.271 -8.022 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.540 -9.687 -7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 22 5.210 -11.337 -5.800 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.874 -11.090 -6.907 1.00 0.00 H new ATOM 317 N THR A 23 4.916 -9.414 -3.660 1.00 0.00 N ATOM 318 CA THR A 23 5.328 -9.940 -2.370 1.00 0.00 C ATOM 319 C THR A 23 4.276 -10.909 -1.828 1.00 0.00 C ATOM 320 O THR A 23 3.116 -10.538 -1.652 1.00 0.00 O ATOM 321 CB THR A 23 5.597 -8.753 -1.441 1.00 0.00 C ATOM 322 OG1 THR A 23 6.214 -9.340 -0.299 1.00 0.00 O ATOM 323 CG2 THR A 23 4.309 -8.135 -0.893 1.00 0.00 C ATOM 0 H THR A 23 3.928 -9.167 -3.724 1.00 0.00 H new ATOM 0 HA THR A 23 6.246 -10.521 -2.454 1.00 0.00 H new ATOM 0 HB THR A 23 6.164 -7.993 -1.978 1.00 0.00 H new ATOM 0 HG1 THR A 23 6.424 -8.641 0.355 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.556 -7.298 -0.240 1.00 0.00 H new ATOM 0 HG22 THR A 23 3.695 -7.781 -1.721 1.00 0.00 H new ATOM 0 HG23 THR A 23 3.757 -8.886 -0.327 1.00 0.00 H new ATOM 331 N GLU A 24 4.717 -12.133 -1.579 1.00 0.00 N ATOM 332 CA GLU A 24 3.829 -13.158 -1.060 1.00 0.00 C ATOM 333 C GLU A 24 3.812 -13.123 0.469 1.00 0.00 C ATOM 334 O GLU A 24 4.673 -13.716 1.116 1.00 0.00 O ATOM 335 CB GLU A 24 4.232 -14.542 -1.572 1.00 0.00 C ATOM 336 CG GLU A 24 5.714 -14.815 -1.309 1.00 0.00 C ATOM 337 CD GLU A 24 5.939 -16.272 -0.900 1.00 0.00 C ATOM 338 OE1 GLU A 24 5.098 -16.782 -0.128 1.00 0.00 O ATOM 339 OE2 GLU A 24 6.947 -16.843 -1.368 1.00 0.00 O ATOM 0 H GLU A 24 5.679 -12.438 -1.727 1.00 0.00 H new ATOM 0 HA GLU A 24 2.821 -12.953 -1.419 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.626 -15.305 -1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.030 -14.611 -2.641 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.293 -14.591 -2.205 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.075 -14.153 -0.522 1.00 0.00 H new ATOM 346 N THR A 25 2.822 -12.421 1.002 1.00 0.00 N ATOM 347 CA THR A 25 2.682 -12.301 2.443 1.00 0.00 C ATOM 348 C THR A 25 1.231 -12.544 2.861 1.00 0.00 C ATOM 349 O THR A 25 0.340 -11.777 2.499 1.00 0.00 O ATOM 350 CB THR A 25 3.211 -10.926 2.857 1.00 0.00 C ATOM 351 OG1 THR A 25 2.723 -10.048 1.845 1.00 0.00 O ATOM 352 CG2 THR A 25 4.733 -10.823 2.736 1.00 0.00 C ATOM 0 H THR A 25 2.110 -11.930 0.462 1.00 0.00 H new ATOM 0 HA THR A 25 3.268 -13.060 2.961 1.00 0.00 H new ATOM 0 HB THR A 25 2.914 -10.717 3.885 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.783 -10.254 1.658 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.056 -9.828 3.042 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.200 -11.569 3.378 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.028 -10.998 1.702 1.00 0.00 H new ATOM 360 N PRO A 26 1.033 -13.644 3.636 1.00 0.00 N ATOM 361 CA PRO A 26 -0.296 -13.998 4.106 1.00 0.00 C ATOM 362 C PRO A 26 -0.740 -13.074 5.242 1.00 0.00 C ATOM 363 O PRO A 26 -1.370 -12.046 5.000 1.00 0.00 O ATOM 364 CB PRO A 26 -0.187 -15.453 4.533 1.00 0.00 C ATOM 365 CG PRO A 26 1.296 -15.723 4.721 1.00 0.00 C ATOM 366 CD PRO A 26 2.064 -14.575 4.085 1.00 0.00 C ATOM 0 HA PRO A 26 -1.060 -13.878 3.338 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.736 -15.631 5.457 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.612 -16.114 3.778 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.538 -15.803 5.781 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.573 -16.670 4.258 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.738 -14.105 4.801 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.675 -14.921 3.252 1.00 0.00 H new ATOM 374 N MET A 27 -0.395 -13.475 6.457 1.00 0.00 N ATOM 375 CA MET A 27 -0.750 -12.695 7.631 1.00 0.00 C ATOM 376 C MET A 27 0.120 -11.441 7.740 1.00 0.00 C ATOM 377 O MET A 27 -0.314 -10.426 8.283 1.00 0.00 O ATOM 378 CB MET A 27 -0.571 -13.551 8.885 1.00 0.00 C ATOM 379 CG MET A 27 -1.024 -14.991 8.636 1.00 0.00 C ATOM 380 SD MET A 27 0.391 -16.033 8.325 1.00 0.00 S ATOM 381 CE MET A 27 1.450 -15.525 9.669 1.00 0.00 C ATOM 0 H MET A 27 0.126 -14.329 6.654 1.00 0.00 H new ATOM 0 HA MET A 27 -1.791 -12.385 7.537 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.476 -13.543 9.189 1.00 0.00 H new ATOM 0 HB3 MET A 27 -1.145 -13.123 9.707 1.00 0.00 H new ATOM 0 HG2 MET A 27 -1.576 -15.362 9.500 1.00 0.00 H new ATOM 0 HG3 MET A 27 -1.704 -15.025 7.785 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.022 -16.382 10.025 1.00 0.00 H new ATOM 0 HE2 MET A 27 2.134 -14.751 9.321 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.841 -15.132 10.483 1.00 0.00 H new ATOM 391 N THR A 28 1.332 -11.553 7.217 1.00 0.00 N ATOM 392 CA THR A 28 2.266 -10.441 7.248 1.00 0.00 C ATOM 393 C THR A 28 1.603 -9.172 6.709 1.00 0.00 C ATOM 394 O THR A 28 2.042 -8.062 7.009 1.00 0.00 O ATOM 395 CB THR A 28 3.517 -10.852 6.468 1.00 0.00 C ATOM 396 OG1 THR A 28 3.298 -12.225 6.160 1.00 0.00 O ATOM 397 CG2 THR A 28 4.774 -10.862 7.341 1.00 0.00 C ATOM 0 H THR A 28 1.689 -12.397 6.769 1.00 0.00 H new ATOM 0 HA THR A 28 2.565 -10.204 8.269 1.00 0.00 H new ATOM 0 HB THR A 28 3.662 -10.171 5.630 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.061 -12.572 5.652 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.633 -11.160 6.739 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.944 -9.864 7.746 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.642 -11.569 8.160 1.00 0.00 H new ATOM 405 N LEU A 29 0.557 -9.377 5.922 1.00 0.00 N ATOM 406 CA LEU A 29 -0.170 -8.263 5.339 1.00 0.00 C ATOM 407 C LEU A 29 -0.762 -7.404 6.457 1.00 0.00 C ATOM 408 O LEU A 29 -0.862 -6.185 6.323 1.00 0.00 O ATOM 409 CB LEU A 29 -1.210 -8.769 4.337 1.00 0.00 C ATOM 410 CG LEU A 29 -0.684 -9.117 2.942 1.00 0.00 C ATOM 411 CD1 LEU A 29 -1.664 -10.026 2.199 1.00 0.00 C ATOM 412 CD2 LEU A 29 -0.359 -7.851 2.147 1.00 0.00 C ATOM 0 H LEU A 29 0.196 -10.298 5.675 1.00 0.00 H new ATOM 0 HA LEU A 29 0.505 -7.624 4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -1.687 -9.655 4.755 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.985 -8.009 4.232 1.00 0.00 H new ATOM 0 HG LEU A 29 0.247 -9.672 3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.267 -10.258 1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.801 -10.950 2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.623 -9.519 2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.013 -8.127 1.160 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.260 -7.247 2.040 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.402 -7.276 2.674 1.00 0.00 H new ATOM 424 N LEU A 30 -1.139 -8.072 7.537 1.00 0.00 N ATOM 425 CA LEU A 30 -1.718 -7.385 8.680 1.00 0.00 C ATOM 426 C LEU A 30 -0.596 -6.816 9.551 1.00 0.00 C ATOM 427 O LEU A 30 -0.798 -5.839 10.269 1.00 0.00 O ATOM 428 CB LEU A 30 -2.673 -8.311 9.435 1.00 0.00 C ATOM 429 CG LEU A 30 -3.576 -9.194 8.570 1.00 0.00 C ATOM 430 CD1 LEU A 30 -4.562 -9.982 9.434 1.00 0.00 C ATOM 431 CD2 LEU A 30 -4.286 -8.366 7.497 1.00 0.00 C ATOM 0 H LEU A 30 -1.055 -9.083 7.645 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.324 -6.541 8.349 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.083 -8.956 10.086 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.305 -7.701 10.080 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.950 -9.921 8.053 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.192 -10.601 8.795 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.011 -10.618 10.127 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.187 -9.289 9.997 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.921 -9.017 6.896 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.899 -7.601 7.974 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.545 -7.890 6.855 1.00 0.00 H new ATOM 443 N VAL A 31 0.562 -7.453 9.457 1.00 0.00 N ATOM 444 CA VAL A 31 1.717 -7.022 10.227 1.00 0.00 C ATOM 445 C VAL A 31 2.062 -5.579 9.857 1.00 0.00 C ATOM 446 O VAL A 31 2.116 -5.233 8.678 1.00 0.00 O ATOM 447 CB VAL A 31 2.881 -7.991 10.009 1.00 0.00 C ATOM 448 CG1 VAL A 31 4.154 -7.480 10.688 1.00 0.00 C ATOM 449 CG2 VAL A 31 2.525 -9.397 10.498 1.00 0.00 C ATOM 0 H VAL A 31 0.725 -8.264 8.860 1.00 0.00 H new ATOM 0 HA VAL A 31 1.493 -7.038 11.294 1.00 0.00 H new ATOM 0 HB VAL A 31 3.072 -8.048 8.937 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.966 -8.187 10.518 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.424 -6.510 10.271 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.980 -7.379 11.759 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.370 -10.065 10.331 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.293 -9.364 11.563 1.00 0.00 H new ATOM 0 HG23 VAL A 31 1.658 -9.764 9.949 1.00 0.00 H new ATOM 459 N PRO A 32 2.294 -4.755 10.913 1.00 0.00 N ATOM 460 CA PRO A 32 2.633 -3.356 10.711 1.00 0.00 C ATOM 461 C PRO A 32 4.078 -3.206 10.232 1.00 0.00 C ATOM 462 O PRO A 32 4.357 -2.424 9.326 1.00 0.00 O ATOM 463 CB PRO A 32 2.380 -2.692 12.055 1.00 0.00 C ATOM 464 CG PRO A 32 2.355 -3.816 13.077 1.00 0.00 C ATOM 465 CD PRO A 32 2.240 -5.131 12.323 1.00 0.00 C ATOM 0 HA PRO A 32 2.034 -2.886 9.931 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.163 -1.970 12.287 1.00 0.00 H new ATOM 0 HB3 PRO A 32 1.436 -2.148 12.050 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.261 -3.801 13.682 1.00 0.00 H new ATOM 0 HG3 PRO A 32 1.514 -3.693 13.759 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.052 -5.809 12.583 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.308 -5.644 12.561 1.00 0.00 H new ATOM 473 N GLU A 33 4.960 -3.967 10.866 1.00 0.00 N ATOM 474 CA GLU A 33 6.369 -3.929 10.516 1.00 0.00 C ATOM 475 C GLU A 33 6.562 -4.303 9.044 1.00 0.00 C ATOM 476 O GLU A 33 7.407 -3.729 8.360 1.00 0.00 O ATOM 477 CB GLU A 33 7.185 -4.848 11.427 1.00 0.00 C ATOM 478 CG GLU A 33 6.675 -4.783 12.868 1.00 0.00 C ATOM 479 CD GLU A 33 7.819 -4.991 13.864 1.00 0.00 C ATOM 480 OE1 GLU A 33 8.308 -6.139 13.935 1.00 0.00 O ATOM 481 OE2 GLU A 33 8.179 -3.996 14.530 1.00 0.00 O ATOM 0 H GLU A 33 4.725 -4.613 11.620 1.00 0.00 H new ATOM 0 HA GLU A 33 6.732 -2.912 10.662 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.126 -5.873 11.062 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.235 -4.558 11.396 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.203 -3.817 13.047 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.911 -5.545 13.022 1.00 0.00 H new ATOM 488 N VAL A 34 5.763 -5.264 8.602 1.00 0.00 N ATOM 489 CA VAL A 34 5.836 -5.721 7.225 1.00 0.00 C ATOM 490 C VAL A 34 5.083 -4.738 6.325 1.00 0.00 C ATOM 491 O VAL A 34 5.563 -4.383 5.250 1.00 0.00 O ATOM 492 CB VAL A 34 5.306 -7.153 7.121 1.00 0.00 C ATOM 493 CG1 VAL A 34 5.314 -7.636 5.670 1.00 0.00 C ATOM 494 CG2 VAL A 34 6.104 -8.100 8.019 1.00 0.00 C ATOM 0 H VAL A 34 5.063 -5.738 9.173 1.00 0.00 H new ATOM 0 HA VAL A 34 6.871 -5.746 6.885 1.00 0.00 H new ATOM 0 HB VAL A 34 4.273 -7.154 7.469 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.933 -8.656 5.624 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.682 -6.985 5.066 1.00 0.00 H new ATOM 0 HG13 VAL A 34 6.333 -7.612 5.284 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.707 -9.111 7.926 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.151 -8.092 7.716 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.024 -7.773 9.056 1.00 0.00 H new ATOM 504 N ALA A 35 3.915 -4.328 6.798 1.00 0.00 N ATOM 505 CA ALA A 35 3.092 -3.393 6.051 1.00 0.00 C ATOM 506 C ALA A 35 3.833 -2.061 5.916 1.00 0.00 C ATOM 507 O ALA A 35 3.867 -1.472 4.837 1.00 0.00 O ATOM 508 CB ALA A 35 1.736 -3.238 6.744 1.00 0.00 C ATOM 0 H ALA A 35 3.519 -4.627 7.690 1.00 0.00 H new ATOM 0 HA ALA A 35 2.903 -3.768 5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.119 -2.536 6.183 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.237 -4.206 6.787 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.885 -2.861 7.756 1.00 0.00 H new ATOM 514 N ALA A 36 4.408 -1.626 7.027 1.00 0.00 N ATOM 515 CA ALA A 36 5.146 -0.374 7.047 1.00 0.00 C ATOM 516 C ALA A 36 6.304 -0.455 6.051 1.00 0.00 C ATOM 517 O ALA A 36 6.490 0.445 5.234 1.00 0.00 O ATOM 518 CB ALA A 36 5.621 -0.085 8.472 1.00 0.00 C ATOM 0 H ALA A 36 4.378 -2.118 7.920 1.00 0.00 H new ATOM 0 HA ALA A 36 4.507 0.455 6.742 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.175 0.854 8.488 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.759 -0.009 9.135 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.269 -0.894 8.811 1.00 0.00 H new ATOM 524 N GLU A 37 7.056 -1.542 6.153 1.00 0.00 N ATOM 525 CA GLU A 37 8.192 -1.752 5.271 1.00 0.00 C ATOM 526 C GLU A 37 7.722 -1.871 3.820 1.00 0.00 C ATOM 527 O GLU A 37 8.413 -1.430 2.902 1.00 0.00 O ATOM 528 CB GLU A 37 8.991 -2.987 5.691 1.00 0.00 C ATOM 529 CG GLU A 37 10.346 -2.589 6.280 1.00 0.00 C ATOM 530 CD GLU A 37 11.484 -2.927 5.315 1.00 0.00 C ATOM 531 OE1 GLU A 37 11.384 -3.994 4.671 1.00 0.00 O ATOM 532 OE2 GLU A 37 12.428 -2.110 5.243 1.00 0.00 O ATOM 0 H GLU A 37 6.901 -2.286 6.833 1.00 0.00 H new ATOM 0 HA GLU A 37 8.852 -0.888 5.349 1.00 0.00 H new ATOM 0 HB2 GLU A 37 8.424 -3.558 6.426 1.00 0.00 H new ATOM 0 HB3 GLU A 37 9.142 -3.637 4.829 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.353 -1.521 6.496 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.501 -3.107 7.227 1.00 0.00 H new ATOM 539 N VAL A 38 6.551 -2.469 3.657 1.00 0.00 N ATOM 540 CA VAL A 38 5.981 -2.651 2.333 1.00 0.00 C ATOM 541 C VAL A 38 5.576 -1.289 1.765 1.00 0.00 C ATOM 542 O VAL A 38 5.878 -0.978 0.614 1.00 0.00 O ATOM 543 CB VAL A 38 4.818 -3.643 2.396 1.00 0.00 C ATOM 544 CG1 VAL A 38 3.696 -3.233 1.440 1.00 0.00 C ATOM 545 CG2 VAL A 38 5.295 -5.067 2.104 1.00 0.00 C ATOM 0 H VAL A 38 5.981 -2.834 4.420 1.00 0.00 H new ATOM 0 HA VAL A 38 6.719 -3.079 1.655 1.00 0.00 H new ATOM 0 HB VAL A 38 4.417 -3.626 3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.882 -3.955 1.504 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.327 -2.245 1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.079 -3.207 0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.449 -5.752 2.155 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.734 -5.106 1.107 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.043 -5.359 2.841 1.00 0.00 H new ATOM 555 N ILE A 39 4.899 -0.514 2.599 1.00 0.00 N ATOM 556 CA ILE A 39 4.449 0.807 2.194 1.00 0.00 C ATOM 557 C ILE A 39 5.664 1.715 1.993 1.00 0.00 C ATOM 558 O ILE A 39 5.751 2.429 0.995 1.00 0.00 O ATOM 559 CB ILE A 39 3.430 1.356 3.195 1.00 0.00 C ATOM 560 CG1 ILE A 39 2.129 0.554 3.149 1.00 0.00 C ATOM 561 CG2 ILE A 39 3.192 2.851 2.970 1.00 0.00 C ATOM 562 CD1 ILE A 39 1.432 0.718 1.797 1.00 0.00 C ATOM 0 H ILE A 39 4.651 -0.775 3.553 1.00 0.00 H new ATOM 0 HA ILE A 39 3.927 0.756 1.239 1.00 0.00 H new ATOM 0 HB ILE A 39 3.841 1.243 4.198 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.341 -0.500 3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.465 0.885 3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.464 3.217 3.694 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.130 3.392 3.094 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.812 3.011 1.961 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.509 0.138 1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.200 1.770 1.633 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.089 0.363 1.003 1.00 0.00 H new ATOM 574 N LYS A 40 6.572 1.658 2.956 1.00 0.00 N ATOM 575 CA LYS A 40 7.779 2.466 2.896 1.00 0.00 C ATOM 576 C LYS A 40 8.648 1.991 1.729 1.00 0.00 C ATOM 577 O LYS A 40 9.185 2.805 0.980 1.00 0.00 O ATOM 578 CB LYS A 40 8.499 2.452 4.246 1.00 0.00 C ATOM 579 CG LYS A 40 10.017 2.512 4.057 1.00 0.00 C ATOM 580 CD LYS A 40 10.634 1.115 4.131 1.00 0.00 C ATOM 581 CE LYS A 40 12.100 1.140 3.690 1.00 0.00 C ATOM 582 NZ LYS A 40 12.919 1.900 4.660 1.00 0.00 N ATOM 0 H LYS A 40 6.496 1.065 3.782 1.00 0.00 H new ATOM 0 HA LYS A 40 7.531 3.510 2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.170 3.300 4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.232 1.549 4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 40 10.249 2.966 3.093 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.458 3.149 4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.563 0.736 5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.071 0.431 3.496 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.478 0.121 3.605 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.181 1.593 2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 13.920 1.850 4.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.611 2.893 4.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.802 1.491 5.609 1.00 0.00 H new ATOM 596 N ASP A 41 8.760 0.676 1.613 1.00 0.00 N ATOM 597 CA ASP A 41 9.555 0.083 0.551 1.00 0.00 C ATOM 598 C ASP A 41 8.998 0.524 -0.803 1.00 0.00 C ATOM 599 O ASP A 41 9.752 0.918 -1.691 1.00 0.00 O ATOM 600 CB ASP A 41 9.502 -1.444 0.610 1.00 0.00 C ATOM 601 CG ASP A 41 10.083 -2.159 -0.612 1.00 0.00 C ATOM 602 OD1 ASP A 41 11.328 -2.239 -0.684 1.00 0.00 O ATOM 603 OD2 ASP A 41 9.268 -2.611 -1.445 1.00 0.00 O ATOM 0 H ASP A 41 8.313 0.004 2.237 1.00 0.00 H new ATOM 0 HA ASP A 41 10.586 0.412 0.678 1.00 0.00 H new ATOM 0 HB2 ASP A 41 10.040 -1.777 1.497 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.464 -1.752 0.733 1.00 0.00 H new ATOM 608 N LEU A 42 7.680 0.442 -0.920 1.00 0.00 N ATOM 609 CA LEU A 42 7.013 0.827 -2.153 1.00 0.00 C ATOM 610 C LEU A 42 7.181 2.333 -2.370 1.00 0.00 C ATOM 611 O LEU A 42 7.584 2.766 -3.448 1.00 0.00 O ATOM 612 CB LEU A 42 5.554 0.368 -2.138 1.00 0.00 C ATOM 613 CG LEU A 42 5.295 -1.058 -2.628 1.00 0.00 C ATOM 614 CD1 LEU A 42 4.731 -1.931 -1.504 1.00 0.00 C ATOM 615 CD2 LEU A 42 4.389 -1.058 -3.861 1.00 0.00 C ATOM 0 H LEU A 42 7.057 0.115 -0.182 1.00 0.00 H new ATOM 0 HA LEU A 42 7.472 0.328 -3.006 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.177 0.455 -1.119 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.972 1.054 -2.753 1.00 0.00 H new ATOM 0 HG LEU A 42 6.248 -1.494 -2.928 1.00 0.00 H new ATOM 0 HD11 LEU A 42 4.556 -2.939 -1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.444 -1.969 -0.680 1.00 0.00 H new ATOM 0 HD13 LEU A 42 3.791 -1.507 -1.151 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.221 -2.084 -4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.434 -0.596 -3.611 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.866 -0.494 -4.663 1.00 0.00 H new ATOM 627 N VAL A 43 6.865 3.087 -1.328 1.00 0.00 N ATOM 628 CA VAL A 43 6.977 4.534 -1.390 1.00 0.00 C ATOM 629 C VAL A 43 8.426 4.917 -1.699 1.00 0.00 C ATOM 630 O VAL A 43 8.678 5.774 -2.545 1.00 0.00 O ATOM 631 CB VAL A 43 6.458 5.156 -0.093 1.00 0.00 C ATOM 632 CG1 VAL A 43 7.218 6.441 0.242 1.00 0.00 C ATOM 633 CG2 VAL A 43 4.952 5.415 -0.171 1.00 0.00 C ATOM 0 H VAL A 43 6.531 2.723 -0.436 1.00 0.00 H new ATOM 0 HA VAL A 43 6.358 4.930 -2.195 1.00 0.00 H new ATOM 0 HB VAL A 43 6.633 4.443 0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.829 6.863 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 43 8.278 6.216 0.362 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.089 7.161 -0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.610 5.857 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.743 6.099 -0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.429 4.474 -0.340 1.00 0.00 H new ATOM 643 N ASN A 44 9.339 4.264 -0.998 1.00 0.00 N ATOM 644 CA ASN A 44 10.756 4.525 -1.186 1.00 0.00 C ATOM 645 C ASN A 44 11.114 4.327 -2.661 1.00 0.00 C ATOM 646 O ASN A 44 11.931 5.066 -3.209 1.00 0.00 O ATOM 647 CB ASN A 44 11.609 3.560 -0.360 1.00 0.00 C ATOM 648 CG ASN A 44 12.092 4.224 0.931 1.00 0.00 C ATOM 649 OD1 ASN A 44 13.278 4.373 1.177 1.00 0.00 O ATOM 650 ND2 ASN A 44 11.111 4.615 1.740 1.00 0.00 N ATOM 0 H ASN A 44 9.126 3.554 -0.298 1.00 0.00 H new ATOM 0 HA ASN A 44 10.956 5.547 -0.866 1.00 0.00 H new ATOM 0 HB2 ASN A 44 11.028 2.669 -0.120 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.467 3.232 -0.948 1.00 0.00 H new ATOM 0 HD21 ASN A 44 11.331 5.070 2.626 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.138 4.460 1.474 1.00 0.00 H new ATOM 657 N THR A 45 10.486 3.328 -3.261 1.00 0.00 N ATOM 658 CA THR A 45 10.728 3.025 -4.661 1.00 0.00 C ATOM 659 C THR A 45 10.085 4.085 -5.555 1.00 0.00 C ATOM 660 O THR A 45 10.698 4.550 -6.515 1.00 0.00 O ATOM 661 CB THR A 45 10.216 1.609 -4.934 1.00 0.00 C ATOM 662 OG1 THR A 45 11.172 0.766 -4.297 1.00 0.00 O ATOM 663 CG2 THR A 45 10.309 1.227 -6.412 1.00 0.00 C ATOM 0 H THR A 45 9.809 2.717 -2.803 1.00 0.00 H new ATOM 0 HA THR A 45 11.793 3.052 -4.893 1.00 0.00 H new ATOM 0 HB THR A 45 9.181 1.528 -4.603 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.925 0.643 -3.357 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.933 0.213 -6.550 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.712 1.920 -7.005 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.349 1.276 -6.736 1.00 0.00 H new ATOM 925 N LYS B 203 -2.049 17.891 -7.423 1.00 0.00 N ATOM 926 CA LYS B 203 -2.417 17.483 -6.078 1.00 0.00 C ATOM 927 C LYS B 203 -1.494 16.352 -5.622 1.00 0.00 C ATOM 928 O LYS B 203 -0.953 15.616 -6.446 1.00 0.00 O ATOM 929 CB LYS B 203 -3.905 17.126 -6.015 1.00 0.00 C ATOM 930 CG LYS B 203 -4.508 17.529 -4.668 1.00 0.00 C ATOM 931 CD LYS B 203 -6.026 17.688 -4.773 1.00 0.00 C ATOM 932 CE LYS B 203 -6.442 19.143 -4.550 1.00 0.00 C ATOM 933 NZ LYS B 203 -7.801 19.210 -3.968 1.00 0.00 N ATOM 0 HA LYS B 203 -2.280 18.308 -5.379 1.00 0.00 H new ATOM 0 HB2 LYS B 203 -4.438 17.629 -6.822 1.00 0.00 H new ATOM 0 HB3 LYS B 203 -4.033 16.054 -6.169 1.00 0.00 H new ATOM 0 HG2 LYS B 203 -4.269 16.775 -3.918 1.00 0.00 H new ATOM 0 HG3 LYS B 203 -4.063 18.465 -4.332 1.00 0.00 H new ATOM 0 HD2 LYS B 203 -6.363 17.356 -5.755 1.00 0.00 H new ATOM 0 HD3 LYS B 203 -6.514 17.050 -4.036 1.00 0.00 H new ATOM 0 HE2 LYS B 203 -5.731 19.633 -3.885 1.00 0.00 H new ATOM 0 HE3 LYS B 203 -6.418 19.683 -5.496 1.00 0.00 H new ATOM 0 HZ1 LYS B 203 -8.068 20.205 -3.823 1.00 0.00 H new ATOM 0 HZ2 LYS B 203 -8.479 18.761 -4.616 1.00 0.00 H new ATOM 0 HZ3 LYS B 203 -7.813 18.712 -3.055 1.00 0.00 H new ATOM 947 N ALA B 204 -1.342 16.248 -4.309 1.00 0.00 N ATOM 948 CA ALA B 204 -0.494 15.219 -3.733 1.00 0.00 C ATOM 949 C ALA B 204 -1.369 14.092 -3.180 1.00 0.00 C ATOM 950 O ALA B 204 -2.038 14.264 -2.162 1.00 0.00 O ATOM 951 CB ALA B 204 0.404 15.839 -2.662 1.00 0.00 C ATOM 0 H ALA B 204 -1.792 16.860 -3.628 1.00 0.00 H new ATOM 0 HA ALA B 204 0.156 14.787 -4.494 1.00 0.00 H new ATOM 0 HB1 ALA B 204 1.041 15.067 -2.229 1.00 0.00 H new ATOM 0 HB2 ALA B 204 1.026 16.612 -3.112 1.00 0.00 H new ATOM 0 HB3 ALA B 204 -0.214 16.280 -1.880 1.00 0.00 H new ATOM 957 N THR B 205 -1.337 12.965 -3.875 1.00 0.00 N ATOM 958 CA THR B 205 -2.119 11.811 -3.467 1.00 0.00 C ATOM 959 C THR B 205 -1.385 10.517 -3.824 1.00 0.00 C ATOM 960 O THR B 205 -0.448 10.528 -4.619 1.00 0.00 O ATOM 961 CB THR B 205 -3.501 11.924 -4.112 1.00 0.00 C ATOM 962 OG1 THR B 205 -3.224 12.260 -5.469 1.00 0.00 O ATOM 963 CG2 THR B 205 -4.297 13.121 -3.588 1.00 0.00 C ATOM 0 H THR B 205 -0.781 12.826 -4.719 1.00 0.00 H new ATOM 0 HA THR B 205 -2.251 11.785 -2.385 1.00 0.00 H new ATOM 0 HB THR B 205 -4.062 11.007 -3.930 1.00 0.00 H new ATOM 0 HG1 THR B 205 -4.066 12.351 -5.962 1.00 0.00 H new ATOM 0 HG21 THR B 205 -5.270 13.154 -4.079 1.00 0.00 H new ATOM 0 HG22 THR B 205 -4.437 13.022 -2.512 1.00 0.00 H new ATOM 0 HG23 THR B 205 -3.752 14.041 -3.800 1.00 0.00 H new ATOM 971 N TYR B 206 -1.841 9.429 -3.217 1.00 0.00 N ATOM 972 CA TYR B 206 -1.240 8.130 -3.461 1.00 0.00 C ATOM 973 C TYR B 206 -2.313 7.048 -3.605 1.00 0.00 C ATOM 974 O TYR B 206 -3.359 7.117 -2.961 1.00 0.00 O ATOM 975 CB TYR B 206 -0.385 7.823 -2.230 1.00 0.00 C ATOM 976 CG TYR B 206 1.113 8.047 -2.441 1.00 0.00 C ATOM 977 CD1 TYR B 206 1.875 7.079 -3.063 1.00 0.00 C ATOM 978 CD2 TYR B 206 1.703 9.217 -2.009 1.00 0.00 C ATOM 979 CE1 TYR B 206 3.285 7.291 -3.262 1.00 0.00 C ATOM 980 CE2 TYR B 206 3.114 9.429 -2.208 1.00 0.00 C ATOM 981 CZ TYR B 206 3.835 8.455 -2.824 1.00 0.00 C ATOM 982 OH TYR B 206 5.168 8.655 -3.012 1.00 0.00 O ATOM 0 H TYR B 206 -2.619 9.422 -2.558 1.00 0.00 H new ATOM 0 HA TYR B 206 -0.657 8.144 -4.382 1.00 0.00 H new ATOM 0 HB2 TYR B 206 -0.722 8.446 -1.402 1.00 0.00 H new ATOM 0 HB3 TYR B 206 -0.549 6.786 -1.936 1.00 0.00 H new ATOM 0 HD1 TYR B 206 1.414 6.163 -3.400 1.00 0.00 H new ATOM 0 HD2 TYR B 206 1.107 9.974 -1.521 1.00 0.00 H new ATOM 0 HE1 TYR B 206 3.893 6.542 -3.748 1.00 0.00 H new ATOM 0 HE2 TYR B 206 3.588 10.341 -1.875 1.00 0.00 H new ATOM 0 HH TYR B 206 5.422 9.530 -2.650 1.00 0.00 H new ATOM 992 N THR B 207 -2.016 6.074 -4.453 1.00 0.00 N ATOM 993 CA THR B 207 -2.942 4.980 -4.689 1.00 0.00 C ATOM 994 C THR B 207 -2.257 3.636 -4.432 1.00 0.00 C ATOM 995 O THR B 207 -1.404 3.210 -5.209 1.00 0.00 O ATOM 996 CB THR B 207 -3.487 5.120 -6.113 1.00 0.00 C ATOM 997 OG1 THR B 207 -4.060 6.425 -6.138 1.00 0.00 O ATOM 998 CG2 THR B 207 -4.669 4.187 -6.382 1.00 0.00 C ATOM 0 H THR B 207 -1.147 6.020 -4.985 1.00 0.00 H new ATOM 0 HA THR B 207 -3.783 5.019 -3.997 1.00 0.00 H new ATOM 0 HB THR B 207 -2.692 4.912 -6.829 1.00 0.00 H new ATOM 0 HG1 THR B 207 -4.436 6.600 -7.026 1.00 0.00 H new ATOM 0 HG21 THR B 207 -5.017 4.326 -7.405 1.00 0.00 H new ATOM 0 HG22 THR B 207 -4.355 3.153 -6.243 1.00 0.00 H new ATOM 0 HG23 THR B 207 -5.479 4.416 -5.689 1.00 0.00 H new ATOM 1006 N VAL B 208 -2.654 3.007 -3.336 1.00 0.00 N ATOM 1007 CA VAL B 208 -2.090 1.720 -2.964 1.00 0.00 C ATOM 1008 C VAL B 208 -3.032 0.605 -3.419 1.00 0.00 C ATOM 1009 O VAL B 208 -4.208 0.595 -3.060 1.00 0.00 O ATOM 1010 CB VAL B 208 -1.806 1.687 -1.461 1.00 0.00 C ATOM 1011 CG1 VAL B 208 -1.372 0.289 -1.015 1.00 0.00 C ATOM 1012 CG2 VAL B 208 -0.758 2.735 -1.079 1.00 0.00 C ATOM 0 H VAL B 208 -3.360 3.365 -2.693 1.00 0.00 H new ATOM 0 HA VAL B 208 -1.135 1.563 -3.465 1.00 0.00 H new ATOM 0 HB VAL B 208 -2.731 1.932 -0.939 1.00 0.00 H new ATOM 0 HG11 VAL B 208 -1.176 0.294 0.057 1.00 0.00 H new ATOM 0 HG12 VAL B 208 -2.164 -0.426 -1.236 1.00 0.00 H new ATOM 0 HG13 VAL B 208 -0.465 0.002 -1.548 1.00 0.00 H new ATOM 0 HG21 VAL B 208 -0.574 2.691 -0.006 1.00 0.00 H new ATOM 0 HG22 VAL B 208 0.170 2.534 -1.615 1.00 0.00 H new ATOM 0 HG23 VAL B 208 -1.122 3.727 -1.344 1.00 0.00 H new ATOM 1022 N THR B 209 -2.480 -0.310 -4.203 1.00 0.00 N ATOM 1023 CA THR B 209 -3.256 -1.428 -4.711 1.00 0.00 C ATOM 1024 C THR B 209 -2.841 -2.725 -4.015 1.00 0.00 C ATOM 1025 O THR B 209 -1.685 -2.883 -3.626 1.00 0.00 O ATOM 1026 CB THR B 209 -3.083 -1.472 -6.231 1.00 0.00 C ATOM 1027 OG1 THR B 209 -2.991 -0.101 -6.610 1.00 0.00 O ATOM 1028 CG2 THR B 209 -4.338 -1.973 -6.948 1.00 0.00 C ATOM 0 H THR B 209 -1.504 -0.299 -4.499 1.00 0.00 H new ATOM 0 HA THR B 209 -4.317 -1.304 -4.493 1.00 0.00 H new ATOM 0 HB THR B 209 -2.240 -2.115 -6.482 1.00 0.00 H new ATOM 0 HG1 THR B 209 -2.875 -0.037 -7.581 1.00 0.00 H new ATOM 0 HG21 THR B 209 -4.162 -1.985 -8.024 1.00 0.00 H new ATOM 0 HG22 THR B 209 -4.573 -2.981 -6.608 1.00 0.00 H new ATOM 0 HG23 THR B 209 -5.174 -1.310 -6.724 1.00 0.00 H new ATOM 1036 N VAL B 210 -3.808 -3.622 -3.879 1.00 0.00 N ATOM 1037 CA VAL B 210 -3.557 -4.900 -3.236 1.00 0.00 C ATOM 1038 C VAL B 210 -4.278 -6.005 -4.010 1.00 0.00 C ATOM 1039 O VAL B 210 -5.507 -6.049 -4.037 1.00 0.00 O ATOM 1040 CB VAL B 210 -3.969 -4.835 -1.764 1.00 0.00 C ATOM 1041 CG1 VAL B 210 -4.527 -6.180 -1.291 1.00 0.00 C ATOM 1042 CG2 VAL B 210 -2.797 -4.389 -0.886 1.00 0.00 C ATOM 0 H VAL B 210 -4.766 -3.488 -4.203 1.00 0.00 H new ATOM 0 HA VAL B 210 -2.492 -5.133 -3.252 1.00 0.00 H new ATOM 0 HB VAL B 210 -4.761 -4.092 -1.670 1.00 0.00 H new ATOM 0 HG11 VAL B 210 -4.812 -6.107 -0.242 1.00 0.00 H new ATOM 0 HG12 VAL B 210 -5.401 -6.441 -1.887 1.00 0.00 H new ATOM 0 HG13 VAL B 210 -3.765 -6.951 -1.407 1.00 0.00 H new ATOM 0 HG21 VAL B 210 -3.116 -4.351 0.155 1.00 0.00 H new ATOM 0 HG22 VAL B 210 -1.976 -5.098 -0.988 1.00 0.00 H new ATOM 0 HG23 VAL B 210 -2.463 -3.400 -1.199 1.00 0.00 H new ATOM 1052 N THR B 211 -3.483 -6.872 -4.620 1.00 0.00 N ATOM 1053 CA THR B 211 -4.031 -7.974 -5.393 1.00 0.00 C ATOM 1054 C THR B 211 -3.504 -9.310 -4.864 1.00 0.00 C ATOM 1055 O THR B 211 -2.299 -9.478 -4.681 1.00 0.00 O ATOM 1056 CB THR B 211 -3.697 -7.731 -6.867 1.00 0.00 C ATOM 1057 OG1 THR B 211 -4.111 -6.387 -7.099 1.00 0.00 O ATOM 1058 CG2 THR B 211 -4.571 -8.558 -7.810 1.00 0.00 C ATOM 0 H THR B 211 -2.464 -6.834 -4.595 1.00 0.00 H new ATOM 0 HA THR B 211 -5.115 -8.025 -5.294 1.00 0.00 H new ATOM 0 HB THR B 211 -2.648 -7.967 -7.045 1.00 0.00 H new ATOM 0 HG1 THR B 211 -3.802 -6.097 -7.983 1.00 0.00 H new ATOM 0 HG21 THR B 211 -4.292 -8.348 -8.843 1.00 0.00 H new ATOM 0 HG22 THR B 211 -4.426 -9.619 -7.604 1.00 0.00 H new ATOM 0 HG23 THR B 211 -5.618 -8.298 -7.657 1.00 0.00 H new ATOM 1066 N ASN B 212 -4.433 -10.225 -4.632 1.00 0.00 N ATOM 1067 CA ASN B 212 -4.077 -11.541 -4.129 1.00 0.00 C ATOM 1068 C ASN B 212 -4.017 -12.530 -5.293 1.00 0.00 C ATOM 1069 O ASN B 212 -5.047 -13.031 -5.742 1.00 0.00 O ATOM 1070 CB ASN B 212 -5.121 -12.049 -3.131 1.00 0.00 C ATOM 1071 CG ASN B 212 -6.182 -10.982 -2.857 1.00 0.00 C ATOM 1072 OD1 ASN B 212 -5.894 -9.806 -2.709 1.00 0.00 O ATOM 1073 ND2 ASN B 212 -7.423 -11.456 -2.799 1.00 0.00 N ATOM 0 H ASN B 212 -5.432 -10.081 -4.783 1.00 0.00 H new ATOM 0 HA ASN B 212 -3.110 -11.461 -3.632 1.00 0.00 H new ATOM 0 HB2 ASN B 212 -5.597 -12.948 -3.523 1.00 0.00 H new ATOM 0 HB3 ASN B 212 -4.632 -12.328 -2.198 1.00 0.00 H new ATOM 0 HD21 ASN B 212 -8.203 -10.823 -2.622 1.00 0.00 H new ATOM 0 HD22 ASN B 212 -7.595 -12.453 -2.932 1.00 0.00 H new ATOM 1080 N ASN B 213 -2.799 -12.782 -5.751 1.00 0.00 N ATOM 1081 CA ASN B 213 -2.590 -13.703 -6.856 1.00 0.00 C ATOM 1082 C ASN B 213 -3.138 -15.080 -6.477 1.00 0.00 C ATOM 1083 O ASN B 213 -3.305 -15.943 -7.338 1.00 0.00 O ATOM 1084 CB ASN B 213 -1.101 -13.856 -7.171 1.00 0.00 C ATOM 1085 CG ASN B 213 -0.770 -13.283 -8.551 1.00 0.00 C ATOM 1086 OD1 ASN B 213 -0.953 -13.919 -9.575 1.00 0.00 O ATOM 1087 ND2 ASN B 213 -0.273 -12.050 -8.519 1.00 0.00 N ATOM 0 H ASN B 213 -1.947 -12.364 -5.377 1.00 0.00 H new ATOM 0 HA ASN B 213 -3.104 -13.303 -7.730 1.00 0.00 H new ATOM 0 HB2 ASN B 213 -0.510 -13.345 -6.410 1.00 0.00 H new ATOM 0 HB3 ASN B 213 -0.825 -14.910 -7.135 1.00 0.00 H new ATOM 0 HD21 ASN B 213 -0.019 -11.580 -9.388 1.00 0.00 H new ATOM 0 HD22 ASN B 213 -0.146 -11.575 -7.626 1.00 0.00 H new ATOM 1094 N SER B 214 -3.402 -15.242 -5.189 1.00 0.00 N ATOM 1095 CA SER B 214 -3.928 -16.500 -4.686 1.00 0.00 C ATOM 1096 C SER B 214 -5.433 -16.582 -4.951 1.00 0.00 C ATOM 1097 O SER B 214 -5.962 -17.660 -5.213 1.00 0.00 O ATOM 1098 CB SER B 214 -3.643 -16.657 -3.190 1.00 0.00 C ATOM 1099 OG SER B 214 -4.826 -16.527 -2.406 1.00 0.00 O ATOM 0 H SER B 214 -3.262 -14.524 -4.479 1.00 0.00 H new ATOM 0 HA SER B 214 -3.428 -17.314 -5.211 1.00 0.00 H new ATOM 0 HB2 SER B 214 -3.192 -17.632 -3.007 1.00 0.00 H new ATOM 0 HB3 SER B 214 -2.917 -15.906 -2.878 1.00 0.00 H new ATOM 0 HG SER B 214 -4.604 -16.635 -1.458 1.00 0.00 H new ATOM 1105 N ASN B 215 -6.078 -15.428 -4.874 1.00 0.00 N ATOM 1106 CA ASN B 215 -7.512 -15.356 -5.102 1.00 0.00 C ATOM 1107 C ASN B 215 -7.777 -14.621 -6.417 1.00 0.00 C ATOM 1108 O ASN B 215 -8.923 -14.514 -6.853 1.00 0.00 O ATOM 1109 CB ASN B 215 -8.210 -14.585 -3.980 1.00 0.00 C ATOM 1110 CG ASN B 215 -9.375 -15.391 -3.404 1.00 0.00 C ATOM 1111 OD1 ASN B 215 -9.295 -16.594 -3.209 1.00 0.00 O ATOM 1112 ND2 ASN B 215 -10.459 -14.666 -3.143 1.00 0.00 N ATOM 0 H ASN B 215 -5.635 -14.535 -4.657 1.00 0.00 H new ATOM 0 HA ASN B 215 -7.901 -16.374 -5.135 1.00 0.00 H new ATOM 0 HB2 ASN B 215 -7.494 -14.358 -3.190 1.00 0.00 H new ATOM 0 HB3 ASN B 215 -8.576 -13.632 -4.362 1.00 0.00 H new ATOM 0 HD21 ASN B 215 -11.290 -15.113 -2.756 1.00 0.00 H new ATOM 0 HD22 ASN B 215 -10.459 -13.663 -3.330 1.00 0.00 H new ATOM 1119 N GLY B 216 -6.700 -14.132 -7.014 1.00 0.00 N ATOM 1120 CA GLY B 216 -6.802 -13.411 -8.271 1.00 0.00 C ATOM 1121 C GLY B 216 -7.650 -12.147 -8.110 1.00 0.00 C ATOM 1122 O GLY B 216 -8.039 -11.526 -9.098 1.00 0.00 O ATOM 0 H GLY B 216 -5.751 -14.221 -6.650 1.00 0.00 H new ATOM 0 HA2 GLY B 216 -5.806 -13.143 -8.623 1.00 0.00 H new ATOM 0 HA3 GLY B 216 -7.245 -14.056 -9.030 1.00 0.00 H new ATOM 1126 N VAL B 217 -7.911 -11.804 -6.857 1.00 0.00 N ATOM 1127 CA VAL B 217 -8.705 -10.626 -6.554 1.00 0.00 C ATOM 1128 C VAL B 217 -7.781 -9.414 -6.417 1.00 0.00 C ATOM 1129 O VAL B 217 -6.658 -9.537 -5.928 1.00 0.00 O ATOM 1130 CB VAL B 217 -9.554 -10.873 -5.305 1.00 0.00 C ATOM 1131 CG1 VAL B 217 -10.272 -9.596 -4.867 1.00 0.00 C ATOM 1132 CG2 VAL B 217 -10.550 -12.011 -5.537 1.00 0.00 C ATOM 0 H VAL B 217 -7.587 -12.321 -6.040 1.00 0.00 H new ATOM 0 HA VAL B 217 -9.400 -10.416 -7.367 1.00 0.00 H new ATOM 0 HB VAL B 217 -8.884 -11.172 -4.499 1.00 0.00 H new ATOM 0 HG11 VAL B 217 -10.868 -9.800 -3.977 1.00 0.00 H new ATOM 0 HG12 VAL B 217 -9.536 -8.824 -4.641 1.00 0.00 H new ATOM 0 HG13 VAL B 217 -10.924 -9.252 -5.670 1.00 0.00 H new ATOM 0 HG21 VAL B 217 -11.141 -12.167 -4.635 1.00 0.00 H new ATOM 0 HG22 VAL B 217 -11.211 -11.753 -6.364 1.00 0.00 H new ATOM 0 HG23 VAL B 217 -10.008 -12.925 -5.778 1.00 0.00 H new ATOM 1142 N SER B 218 -8.286 -8.272 -6.857 1.00 0.00 N ATOM 1143 CA SER B 218 -7.520 -7.039 -6.789 1.00 0.00 C ATOM 1144 C SER B 218 -8.309 -5.973 -6.025 1.00 0.00 C ATOM 1145 O SER B 218 -9.535 -6.036 -5.954 1.00 0.00 O ATOM 1146 CB SER B 218 -7.164 -6.534 -8.189 1.00 0.00 C ATOM 1147 OG SER B 218 -6.426 -5.316 -8.146 1.00 0.00 O ATOM 0 H SER B 218 -9.217 -8.174 -7.262 1.00 0.00 H new ATOM 0 HA SER B 218 -6.590 -7.243 -6.258 1.00 0.00 H new ATOM 0 HB2 SER B 218 -6.581 -7.293 -8.711 1.00 0.00 H new ATOM 0 HB3 SER B 218 -8.078 -6.384 -8.763 1.00 0.00 H new ATOM 0 HG SER B 218 -5.537 -5.485 -7.770 1.00 0.00 H new ATOM 1153 N VAL B 219 -7.572 -5.018 -5.476 1.00 0.00 N ATOM 1154 CA VAL B 219 -8.189 -3.940 -4.720 1.00 0.00 C ATOM 1155 C VAL B 219 -7.274 -2.715 -4.753 1.00 0.00 C ATOM 1156 O VAL B 219 -6.100 -2.802 -4.401 1.00 0.00 O ATOM 1157 CB VAL B 219 -8.507 -4.411 -3.300 1.00 0.00 C ATOM 1158 CG1 VAL B 219 -8.726 -3.222 -2.364 1.00 0.00 C ATOM 1159 CG2 VAL B 219 -9.717 -5.347 -3.291 1.00 0.00 C ATOM 0 H VAL B 219 -6.555 -4.968 -5.539 1.00 0.00 H new ATOM 0 HA VAL B 219 -9.138 -3.651 -5.171 1.00 0.00 H new ATOM 0 HB VAL B 219 -7.647 -4.972 -2.933 1.00 0.00 H new ATOM 0 HG11 VAL B 219 -8.950 -3.585 -1.361 1.00 0.00 H new ATOM 0 HG12 VAL B 219 -7.824 -2.611 -2.335 1.00 0.00 H new ATOM 0 HG13 VAL B 219 -9.560 -2.622 -2.728 1.00 0.00 H new ATOM 0 HG21 VAL B 219 -9.922 -5.667 -2.269 1.00 0.00 H new ATOM 0 HG22 VAL B 219 -10.586 -4.822 -3.688 1.00 0.00 H new ATOM 0 HG23 VAL B 219 -9.507 -6.220 -3.909 1.00 0.00 H new ATOM 1169 N ASP B 220 -7.849 -1.598 -5.179 1.00 0.00 N ATOM 1170 CA ASP B 220 -7.100 -0.356 -5.261 1.00 0.00 C ATOM 1171 C ASP B 220 -7.690 0.656 -4.277 1.00 0.00 C ATOM 1172 O ASP B 220 -8.903 0.706 -4.086 1.00 0.00 O ATOM 1173 CB ASP B 220 -7.184 0.245 -6.666 1.00 0.00 C ATOM 1174 CG ASP B 220 -7.692 -0.709 -7.748 1.00 0.00 C ATOM 1175 OD1 ASP B 220 -8.888 -1.064 -7.677 1.00 0.00 O ATOM 1176 OD2 ASP B 220 -6.872 -1.063 -8.624 1.00 0.00 O ATOM 0 H ASP B 220 -8.824 -1.528 -5.470 1.00 0.00 H new ATOM 0 HA ASP B 220 -6.059 -0.573 -5.023 1.00 0.00 H new ATOM 0 HB2 ASP B 220 -7.839 1.116 -6.634 1.00 0.00 H new ATOM 0 HB3 ASP B 220 -6.194 0.601 -6.952 1.00 0.00 H new ATOM 1181 N TYR B 221 -6.803 1.438 -3.679 1.00 0.00 N ATOM 1182 CA TYR B 221 -7.220 2.446 -2.720 1.00 0.00 C ATOM 1183 C TYR B 221 -6.417 3.737 -2.896 1.00 0.00 C ATOM 1184 O TYR B 221 -5.187 3.708 -2.925 1.00 0.00 O ATOM 1185 CB TYR B 221 -6.925 1.861 -1.338 1.00 0.00 C ATOM 1186 CG TYR B 221 -8.166 1.352 -0.600 1.00 0.00 C ATOM 1187 CD1 TYR B 221 -8.919 0.329 -1.139 1.00 0.00 C ATOM 1188 CD2 TYR B 221 -8.532 1.917 0.605 1.00 0.00 C ATOM 1189 CE1 TYR B 221 -10.085 -0.150 -0.445 1.00 0.00 C ATOM 1190 CE2 TYR B 221 -9.700 1.439 1.299 1.00 0.00 C ATOM 1191 CZ TYR B 221 -10.419 0.429 0.740 1.00 0.00 C ATOM 1192 OH TYR B 221 -11.521 -0.022 1.397 1.00 0.00 O ATOM 0 H TYR B 221 -5.797 1.393 -3.840 1.00 0.00 H new ATOM 0 HA TYR B 221 -8.274 2.690 -2.855 1.00 0.00 H new ATOM 0 HB2 TYR B 221 -6.217 1.040 -1.446 1.00 0.00 H new ATOM 0 HB3 TYR B 221 -6.439 2.623 -0.728 1.00 0.00 H new ATOM 0 HD1 TYR B 221 -8.633 -0.112 -2.082 1.00 0.00 H new ATOM 0 HD2 TYR B 221 -7.943 2.717 1.027 1.00 0.00 H new ATOM 0 HE1 TYR B 221 -10.682 -0.951 -0.856 1.00 0.00 H new ATOM 0 HE2 TYR B 221 -9.998 1.873 2.242 1.00 0.00 H new ATOM 0 HH TYR B 221 -11.270 -0.765 1.985 1.00 0.00 H new ATOM 1202 N GLU B 222 -7.144 4.838 -3.008 1.00 0.00 N ATOM 1203 CA GLU B 222 -6.516 6.136 -3.180 1.00 0.00 C ATOM 1204 C GLU B 222 -6.536 6.915 -1.863 1.00 0.00 C ATOM 1205 O GLU B 222 -7.602 7.274 -1.367 1.00 0.00 O ATOM 1206 CB GLU B 222 -7.194 6.931 -4.297 1.00 0.00 C ATOM 1207 CG GLU B 222 -6.642 8.356 -4.370 1.00 0.00 C ATOM 1208 CD GLU B 222 -7.452 9.209 -5.350 1.00 0.00 C ATOM 1209 OE1 GLU B 222 -8.697 9.164 -5.245 1.00 0.00 O ATOM 1210 OE2 GLU B 222 -6.808 9.884 -6.180 1.00 0.00 O ATOM 0 H GLU B 222 -8.163 4.858 -2.983 1.00 0.00 H new ATOM 0 HA GLU B 222 -5.477 5.978 -3.471 1.00 0.00 H new ATOM 0 HB2 GLU B 222 -7.039 6.428 -5.252 1.00 0.00 H new ATOM 0 HB3 GLU B 222 -8.270 6.963 -4.124 1.00 0.00 H new ATOM 0 HG2 GLU B 222 -6.667 8.811 -3.380 1.00 0.00 H new ATOM 0 HG3 GLU B 222 -5.598 8.330 -4.682 1.00 0.00 H new ATOM 1217 N THR B 223 -5.345 7.152 -1.335 1.00 0.00 N ATOM 1218 CA THR B 223 -5.212 7.883 -0.085 1.00 0.00 C ATOM 1219 C THR B 223 -4.048 8.872 -0.166 1.00 0.00 C ATOM 1220 O THR B 223 -3.013 8.572 -0.760 1.00 0.00 O ATOM 1221 CB THR B 223 -5.063 6.862 1.044 1.00 0.00 C ATOM 1222 OG1 THR B 223 -5.318 7.614 2.227 1.00 0.00 O ATOM 1223 CG2 THR B 223 -3.621 6.379 1.212 1.00 0.00 C ATOM 0 H THR B 223 -4.463 6.851 -1.749 1.00 0.00 H new ATOM 0 HA THR B 223 -6.097 8.487 0.116 1.00 0.00 H new ATOM 0 HB THR B 223 -5.710 6.007 0.848 1.00 0.00 H new ATOM 0 HG1 THR B 223 -5.244 7.028 3.009 1.00 0.00 H new ATOM 0 HG21 THR B 223 -3.572 5.656 2.026 1.00 0.00 H new ATOM 0 HG22 THR B 223 -3.285 5.908 0.288 1.00 0.00 H new ATOM 0 HG23 THR B 223 -2.977 7.228 1.441 1.00 0.00 H new ATOM 1231 N GLU B 224 -4.257 10.033 0.439 1.00 0.00 N ATOM 1232 CA GLU B 224 -3.238 11.069 0.442 1.00 0.00 C ATOM 1233 C GLU B 224 -2.445 11.028 1.750 1.00 0.00 C ATOM 1234 O GLU B 224 -2.860 11.612 2.750 1.00 0.00 O ATOM 1235 CB GLU B 224 -3.860 12.449 0.220 1.00 0.00 C ATOM 1236 CG GLU B 224 -2.836 13.558 0.473 1.00 0.00 C ATOM 1237 CD GLU B 224 -3.430 14.933 0.163 1.00 0.00 C ATOM 1238 OE1 GLU B 224 -3.978 15.077 -0.951 1.00 0.00 O ATOM 1239 OE2 GLU B 224 -3.322 15.811 1.048 1.00 0.00 O ATOM 0 H GLU B 224 -5.117 10.279 0.930 1.00 0.00 H new ATOM 0 HA GLU B 224 -2.551 10.880 -0.383 1.00 0.00 H new ATOM 0 HB2 GLU B 224 -4.237 12.522 -0.800 1.00 0.00 H new ATOM 0 HB3 GLU B 224 -4.714 12.579 0.885 1.00 0.00 H new ATOM 0 HG2 GLU B 224 -2.508 13.525 1.512 1.00 0.00 H new ATOM 0 HG3 GLU B 224 -1.954 13.391 -0.145 1.00 0.00 H new ATOM 1246 N THR B 225 -1.319 10.333 1.701 1.00 0.00 N ATOM 1247 CA THR B 225 -0.464 10.209 2.868 1.00 0.00 C ATOM 1248 C THR B 225 1.000 10.432 2.484 1.00 0.00 C ATOM 1249 O THR B 225 1.600 9.602 1.802 1.00 0.00 O ATOM 1250 CB THR B 225 -0.724 8.841 3.502 1.00 0.00 C ATOM 1251 OG1 THR B 225 -0.718 7.940 2.397 1.00 0.00 O ATOM 1252 CG2 THR B 225 -2.138 8.720 4.074 1.00 0.00 C ATOM 0 H THR B 225 -0.979 9.849 0.870 1.00 0.00 H new ATOM 0 HA THR B 225 -0.693 10.975 3.608 1.00 0.00 H new ATOM 0 HB THR B 225 0.004 8.663 4.294 1.00 0.00 H new ATOM 0 HG1 THR B 225 -0.878 7.028 2.718 1.00 0.00 H new ATOM 0 HG21 THR B 225 -2.270 7.731 4.512 1.00 0.00 H new ATOM 0 HG22 THR B 225 -2.286 9.479 4.842 1.00 0.00 H new ATOM 0 HG23 THR B 225 -2.867 8.864 3.276 1.00 0.00 H new ATOM 1260 N PRO B 226 1.548 11.586 2.950 1.00 0.00 N ATOM 1261 CA PRO B 226 2.930 11.928 2.663 1.00 0.00 C ATOM 1262 C PRO B 226 3.890 11.091 3.510 1.00 0.00 C ATOM 1263 O PRO B 226 4.385 10.059 3.056 1.00 0.00 O ATOM 1264 CB PRO B 226 3.034 13.418 2.947 1.00 0.00 C ATOM 1265 CG PRO B 226 1.838 13.760 3.821 1.00 0.00 C ATOM 1266 CD PRO B 226 0.868 12.592 3.761 1.00 0.00 C ATOM 0 HA PRO B 226 3.211 11.711 1.632 1.00 0.00 H new ATOM 0 HB2 PRO B 226 3.969 13.655 3.455 1.00 0.00 H new ATOM 0 HB3 PRO B 226 3.019 13.994 2.022 1.00 0.00 H new ATOM 0 HG2 PRO B 226 2.155 13.941 4.848 1.00 0.00 H new ATOM 0 HG3 PRO B 226 1.358 14.674 3.470 1.00 0.00 H new ATOM 0 HD2 PRO B 226 0.644 12.212 4.758 1.00 0.00 H new ATOM 0 HD3 PRO B 226 -0.080 12.888 3.312 1.00 0.00 H new ATOM 1274 N MET B 227 4.124 11.564 4.725 1.00 0.00 N ATOM 1275 CA MET B 227 5.016 10.871 5.639 1.00 0.00 C ATOM 1276 C MET B 227 4.347 9.624 6.219 1.00 0.00 C ATOM 1277 O MET B 227 5.023 8.657 6.569 1.00 0.00 O ATOM 1278 CB MET B 227 5.413 11.814 6.777 1.00 0.00 C ATOM 1279 CG MET B 227 5.827 13.183 6.236 1.00 0.00 C ATOM 1280 SD MET B 227 5.283 14.469 7.348 1.00 0.00 S ATOM 1281 CE MET B 227 3.542 14.087 7.434 1.00 0.00 C ATOM 0 H MET B 227 3.711 12.419 5.098 1.00 0.00 H new ATOM 0 HA MET B 227 5.902 10.560 5.086 1.00 0.00 H new ATOM 0 HB2 MET B 227 4.577 11.929 7.467 1.00 0.00 H new ATOM 0 HB3 MET B 227 6.236 11.379 7.344 1.00 0.00 H new ATOM 0 HG2 MET B 227 6.910 13.225 6.120 1.00 0.00 H new ATOM 0 HG3 MET B 227 5.395 13.339 5.248 1.00 0.00 H new ATOM 0 HE1 MET B 227 2.962 14.991 7.250 1.00 0.00 H new ATOM 0 HE2 MET B 227 3.296 13.338 6.681 1.00 0.00 H new ATOM 0 HE3 MET B 227 3.303 13.698 8.424 1.00 0.00 H new ATOM 1291 N THR B 228 3.026 9.686 6.304 1.00 0.00 N ATOM 1292 CA THR B 228 2.256 8.573 6.835 1.00 0.00 C ATOM 1293 C THR B 228 2.642 7.273 6.127 1.00 0.00 C ATOM 1294 O THR B 228 2.713 6.217 6.755 1.00 0.00 O ATOM 1295 CB THR B 228 0.772 8.920 6.705 1.00 0.00 C ATOM 1296 OG1 THR B 228 0.753 10.044 5.829 1.00 0.00 O ATOM 1297 CG2 THR B 228 0.179 9.454 8.009 1.00 0.00 C ATOM 0 H THR B 228 2.469 10.490 6.014 1.00 0.00 H new ATOM 0 HA THR B 228 2.474 8.408 7.890 1.00 0.00 H new ATOM 0 HB THR B 228 0.219 8.035 6.391 1.00 0.00 H new ATOM 0 HG1 THR B 228 -0.173 10.334 5.689 1.00 0.00 H new ATOM 0 HG21 THR B 228 -0.876 9.685 7.861 1.00 0.00 H new ATOM 0 HG22 THR B 228 0.280 8.700 8.790 1.00 0.00 H new ATOM 0 HG23 THR B 228 0.710 10.358 8.307 1.00 0.00 H new ATOM 1305 N LEU B 229 2.882 7.391 4.829 1.00 0.00 N ATOM 1306 CA LEU B 229 3.257 6.237 4.030 1.00 0.00 C ATOM 1307 C LEU B 229 4.442 5.530 4.689 1.00 0.00 C ATOM 1308 O LEU B 229 4.526 4.303 4.673 1.00 0.00 O ATOM 1309 CB LEU B 229 3.518 6.652 2.580 1.00 0.00 C ATOM 1310 CG LEU B 229 2.277 6.857 1.709 1.00 0.00 C ATOM 1311 CD1 LEU B 229 2.622 7.637 0.439 1.00 0.00 C ATOM 1312 CD2 LEU B 229 1.602 5.521 1.394 1.00 0.00 C ATOM 0 H LEU B 229 2.824 8.268 4.311 1.00 0.00 H new ATOM 0 HA LEU B 229 2.438 5.519 3.990 1.00 0.00 H new ATOM 0 HB2 LEU B 229 4.091 7.579 2.586 1.00 0.00 H new ATOM 0 HB3 LEU B 229 4.145 5.893 2.112 1.00 0.00 H new ATOM 0 HG LEU B 229 1.560 7.456 2.271 1.00 0.00 H new ATOM 0 HD11 LEU B 229 1.723 7.769 -0.162 1.00 0.00 H new ATOM 0 HD12 LEU B 229 3.024 8.613 0.710 1.00 0.00 H new ATOM 0 HD13 LEU B 229 3.365 7.085 -0.136 1.00 0.00 H new ATOM 0 HD21 LEU B 229 0.723 5.695 0.774 1.00 0.00 H new ATOM 0 HD22 LEU B 229 2.301 4.877 0.860 1.00 0.00 H new ATOM 0 HD23 LEU B 229 1.301 5.038 2.323 1.00 0.00 H new ATOM 1324 N LEU B 230 5.332 6.334 5.255 1.00 0.00 N ATOM 1325 CA LEU B 230 6.508 5.801 5.919 1.00 0.00 C ATOM 1326 C LEU B 230 6.121 5.303 7.313 1.00 0.00 C ATOM 1327 O LEU B 230 6.796 4.445 7.880 1.00 0.00 O ATOM 1328 CB LEU B 230 7.636 6.835 5.926 1.00 0.00 C ATOM 1329 CG LEU B 230 7.946 7.498 4.582 1.00 0.00 C ATOM 1330 CD1 LEU B 230 9.159 8.424 4.695 1.00 0.00 C ATOM 1331 CD2 LEU B 230 8.125 6.449 3.483 1.00 0.00 C ATOM 0 H LEU B 230 5.261 7.351 5.267 1.00 0.00 H new ATOM 0 HA LEU B 230 6.898 4.943 5.371 1.00 0.00 H new ATOM 0 HB2 LEU B 230 7.383 7.615 6.644 1.00 0.00 H new ATOM 0 HB3 LEU B 230 8.543 6.351 6.288 1.00 0.00 H new ATOM 0 HG LEU B 230 7.094 8.117 4.300 1.00 0.00 H new ATOM 0 HD11 LEU B 230 9.358 8.883 3.726 1.00 0.00 H new ATOM 0 HD12 LEU B 230 8.955 9.203 5.430 1.00 0.00 H new ATOM 0 HD13 LEU B 230 10.029 7.847 5.009 1.00 0.00 H new ATOM 0 HD21 LEU B 230 8.344 6.946 2.538 1.00 0.00 H new ATOM 0 HD22 LEU B 230 8.949 5.786 3.744 1.00 0.00 H new ATOM 0 HD23 LEU B 230 7.209 5.867 3.383 1.00 0.00 H new ATOM 1343 N VAL B 231 5.036 5.865 7.826 1.00 0.00 N ATOM 1344 CA VAL B 231 4.550 5.489 9.143 1.00 0.00 C ATOM 1345 C VAL B 231 4.018 4.056 9.096 1.00 0.00 C ATOM 1346 O VAL B 231 3.311 3.683 8.161 1.00 0.00 O ATOM 1347 CB VAL B 231 3.507 6.499 9.624 1.00 0.00 C ATOM 1348 CG1 VAL B 231 2.979 6.124 11.010 1.00 0.00 C ATOM 1349 CG2 VAL B 231 4.076 7.920 9.620 1.00 0.00 C ATOM 0 H VAL B 231 4.480 6.578 7.354 1.00 0.00 H new ATOM 0 HA VAL B 231 5.362 5.510 9.870 1.00 0.00 H new ATOM 0 HB VAL B 231 2.669 6.472 8.928 1.00 0.00 H new ATOM 0 HG11 VAL B 231 2.239 6.858 11.328 1.00 0.00 H new ATOM 0 HG12 VAL B 231 2.517 5.138 10.969 1.00 0.00 H new ATOM 0 HG13 VAL B 231 3.804 6.108 11.722 1.00 0.00 H new ATOM 0 HG21 VAL B 231 3.314 8.618 9.966 1.00 0.00 H new ATOM 0 HG22 VAL B 231 4.940 7.968 10.283 1.00 0.00 H new ATOM 0 HG23 VAL B 231 4.380 8.187 8.608 1.00 0.00 H new ATOM 1359 N PRO B 232 4.388 3.271 10.143 1.00 0.00 N ATOM 1360 CA PRO B 232 3.955 1.887 10.230 1.00 0.00 C ATOM 1361 C PRO B 232 2.483 1.797 10.639 1.00 0.00 C ATOM 1362 O PRO B 232 1.728 1.002 10.080 1.00 0.00 O ATOM 1363 CB PRO B 232 4.891 1.244 11.241 1.00 0.00 C ATOM 1364 CG PRO B 232 5.509 2.391 12.024 1.00 0.00 C ATOM 1365 CD PRO B 232 5.225 3.679 11.268 1.00 0.00 C ATOM 0 HA PRO B 232 4.008 1.370 9.272 1.00 0.00 H new ATOM 0 HB2 PRO B 232 4.348 0.568 11.901 1.00 0.00 H new ATOM 0 HB3 PRO B 232 5.659 0.653 10.742 1.00 0.00 H new ATOM 0 HG2 PRO B 232 5.088 2.438 13.029 1.00 0.00 H new ATOM 0 HG3 PRO B 232 6.583 2.242 12.135 1.00 0.00 H new ATOM 0 HD2 PRO B 232 4.713 4.405 11.900 1.00 0.00 H new ATOM 0 HD3 PRO B 232 6.147 4.149 10.926 1.00 0.00 H new ATOM 1373 N GLU B 233 2.120 2.623 11.607 1.00 0.00 N ATOM 1374 CA GLU B 233 0.751 2.647 12.096 1.00 0.00 C ATOM 1375 C GLU B 233 -0.211 3.006 10.962 1.00 0.00 C ATOM 1376 O GLU B 233 -1.333 2.504 10.914 1.00 0.00 O ATOM 1377 CB GLU B 233 0.605 3.620 13.268 1.00 0.00 C ATOM 1378 CG GLU B 233 1.822 3.553 14.193 1.00 0.00 C ATOM 1379 CD GLU B 233 1.469 4.035 15.601 1.00 0.00 C ATOM 1380 OE1 GLU B 233 0.922 3.209 16.363 1.00 0.00 O ATOM 1381 OE2 GLU B 233 1.754 5.219 15.883 1.00 0.00 O ATOM 0 H GLU B 233 2.749 3.281 12.067 1.00 0.00 H new ATOM 0 HA GLU B 233 0.498 1.651 12.459 1.00 0.00 H new ATOM 0 HB2 GLU B 233 0.487 4.635 12.889 1.00 0.00 H new ATOM 0 HB3 GLU B 233 -0.298 3.383 13.831 1.00 0.00 H new ATOM 0 HG2 GLU B 233 2.193 2.529 14.238 1.00 0.00 H new ATOM 0 HG3 GLU B 233 2.626 4.166 13.786 1.00 0.00 H new ATOM 1388 N VAL B 234 0.262 3.873 10.079 1.00 0.00 N ATOM 1389 CA VAL B 234 -0.543 4.304 8.949 1.00 0.00 C ATOM 1390 C VAL B 234 -0.446 3.262 7.832 1.00 0.00 C ATOM 1391 O VAL B 234 -1.458 2.872 7.253 1.00 0.00 O ATOM 1392 CB VAL B 234 -0.110 5.702 8.502 1.00 0.00 C ATOM 1393 CG1 VAL B 234 -0.912 6.161 7.282 1.00 0.00 C ATOM 1394 CG2 VAL B 234 -0.233 6.706 9.650 1.00 0.00 C ATOM 0 H VAL B 234 1.192 4.289 10.123 1.00 0.00 H new ATOM 0 HA VAL B 234 -1.593 4.378 9.233 1.00 0.00 H new ATOM 0 HB VAL B 234 0.939 5.652 8.212 1.00 0.00 H new ATOM 0 HG11 VAL B 234 -0.584 7.157 6.985 1.00 0.00 H new ATOM 0 HG12 VAL B 234 -0.751 5.466 6.458 1.00 0.00 H new ATOM 0 HG13 VAL B 234 -1.972 6.187 7.533 1.00 0.00 H new ATOM 0 HG21 VAL B 234 0.081 7.692 9.306 1.00 0.00 H new ATOM 0 HG22 VAL B 234 -1.269 6.751 9.984 1.00 0.00 H new ATOM 0 HG23 VAL B 234 0.402 6.391 10.478 1.00 0.00 H new ATOM 1404 N ALA B 235 0.782 2.844 7.562 1.00 0.00 N ATOM 1405 CA ALA B 235 1.024 1.856 6.525 1.00 0.00 C ATOM 1406 C ALA B 235 0.370 0.531 6.925 1.00 0.00 C ATOM 1407 O ALA B 235 -0.258 -0.128 6.098 1.00 0.00 O ATOM 1408 CB ALA B 235 2.530 1.716 6.295 1.00 0.00 C ATOM 0 H ALA B 235 1.620 3.172 8.043 1.00 0.00 H new ATOM 0 HA ALA B 235 0.578 2.172 5.582 1.00 0.00 H new ATOM 0 HB1 ALA B 235 2.712 0.975 5.517 1.00 0.00 H new ATOM 0 HB2 ALA B 235 2.941 2.676 5.984 1.00 0.00 H new ATOM 0 HB3 ALA B 235 3.011 1.397 7.220 1.00 0.00 H new ATOM 1414 N ALA B 236 0.540 0.183 8.191 1.00 0.00 N ATOM 1415 CA ALA B 236 -0.026 -1.050 8.711 1.00 0.00 C ATOM 1416 C ALA B 236 -1.536 -1.056 8.465 1.00 0.00 C ATOM 1417 O ALA B 236 -2.085 -2.041 7.973 1.00 0.00 O ATOM 1418 CB ALA B 236 0.323 -1.188 10.194 1.00 0.00 C ATOM 0 H ALA B 236 1.062 0.733 8.873 1.00 0.00 H new ATOM 0 HA ALA B 236 0.396 -1.913 8.196 1.00 0.00 H new ATOM 0 HB1 ALA B 236 -0.102 -2.113 10.583 1.00 0.00 H new ATOM 0 HB2 ALA B 236 1.406 -1.208 10.312 1.00 0.00 H new ATOM 0 HB3 ALA B 236 -0.086 -0.341 10.744 1.00 0.00 H new ATOM 1424 N GLU B 237 -2.165 0.055 8.817 1.00 0.00 N ATOM 1425 CA GLU B 237 -3.602 0.191 8.640 1.00 0.00 C ATOM 1426 C GLU B 237 -3.955 0.204 7.152 1.00 0.00 C ATOM 1427 O GLU B 237 -4.992 -0.321 6.751 1.00 0.00 O ATOM 1428 CB GLU B 237 -4.123 1.448 9.339 1.00 0.00 C ATOM 1429 CG GLU B 237 -5.585 1.713 8.969 1.00 0.00 C ATOM 1430 CD GLU B 237 -6.461 1.789 10.221 1.00 0.00 C ATOM 1431 OE1 GLU B 237 -6.001 2.416 11.199 1.00 0.00 O ATOM 1432 OE2 GLU B 237 -7.572 1.218 10.171 1.00 0.00 O ATOM 0 H GLU B 237 -1.707 0.870 9.224 1.00 0.00 H new ATOM 0 HA GLU B 237 -4.088 -0.669 9.100 1.00 0.00 H new ATOM 0 HB2 GLU B 237 -4.032 1.332 10.419 1.00 0.00 H new ATOM 0 HB3 GLU B 237 -3.511 2.305 9.058 1.00 0.00 H new ATOM 0 HG2 GLU B 237 -5.659 2.647 8.411 1.00 0.00 H new ATOM 0 HG3 GLU B 237 -5.948 0.921 8.314 1.00 0.00 H new ATOM 1439 N VAL B 238 -3.071 0.809 6.372 1.00 0.00 N ATOM 1440 CA VAL B 238 -3.276 0.898 4.936 1.00 0.00 C ATOM 1441 C VAL B 238 -3.207 -0.505 4.328 1.00 0.00 C ATOM 1442 O VAL B 238 -4.078 -0.892 3.551 1.00 0.00 O ATOM 1443 CB VAL B 238 -2.263 1.866 4.322 1.00 0.00 C ATOM 1444 CG1 VAL B 238 -1.820 1.390 2.936 1.00 0.00 C ATOM 1445 CG2 VAL B 238 -2.830 3.285 4.258 1.00 0.00 C ATOM 0 H VAL B 238 -2.211 1.242 6.707 1.00 0.00 H new ATOM 0 HA VAL B 238 -4.265 1.300 4.715 1.00 0.00 H new ATOM 0 HB VAL B 238 -1.384 1.885 4.967 1.00 0.00 H new ATOM 0 HG11 VAL B 238 -1.100 2.096 2.522 1.00 0.00 H new ATOM 0 HG12 VAL B 238 -1.357 0.407 3.020 1.00 0.00 H new ATOM 0 HG13 VAL B 238 -2.687 1.328 2.278 1.00 0.00 H new ATOM 0 HG21 VAL B 238 -2.090 3.953 3.818 1.00 0.00 H new ATOM 0 HG22 VAL B 238 -3.732 3.289 3.646 1.00 0.00 H new ATOM 0 HG23 VAL B 238 -3.073 3.626 5.265 1.00 0.00 H new ATOM 1455 N ILE B 239 -2.162 -1.228 4.705 1.00 0.00 N ATOM 1456 CA ILE B 239 -1.968 -2.579 4.206 1.00 0.00 C ATOM 1457 C ILE B 239 -3.109 -3.470 4.703 1.00 0.00 C ATOM 1458 O ILE B 239 -3.739 -4.174 3.915 1.00 0.00 O ATOM 1459 CB ILE B 239 -0.577 -3.094 4.582 1.00 0.00 C ATOM 1460 CG1 ILE B 239 0.515 -2.268 3.901 1.00 0.00 C ATOM 1461 CG2 ILE B 239 -0.445 -4.587 4.275 1.00 0.00 C ATOM 1462 CD1 ILE B 239 0.262 -2.158 2.396 1.00 0.00 C ATOM 0 H ILE B 239 -1.441 -0.904 5.350 1.00 0.00 H new ATOM 0 HA ILE B 239 -2.004 -2.592 3.117 1.00 0.00 H new ATOM 0 HB ILE B 239 -0.446 -2.974 5.657 1.00 0.00 H new ATOM 0 HG12 ILE B 239 0.550 -1.271 4.341 1.00 0.00 H new ATOM 0 HG13 ILE B 239 1.487 -2.728 4.077 1.00 0.00 H new ATOM 0 HG21 ILE B 239 0.553 -4.928 4.551 1.00 0.00 H new ATOM 0 HG22 ILE B 239 -1.190 -5.143 4.845 1.00 0.00 H new ATOM 0 HG23 ILE B 239 -0.604 -4.755 3.210 1.00 0.00 H new ATOM 0 HD11 ILE B 239 1.053 -1.566 1.936 1.00 0.00 H new ATOM 0 HD12 ILE B 239 0.252 -3.155 1.955 1.00 0.00 H new ATOM 0 HD13 ILE B 239 -0.700 -1.675 2.223 1.00 0.00 H new ATOM 1474 N LYS B 240 -3.340 -3.409 6.006 1.00 0.00 N ATOM 1475 CA LYS B 240 -4.394 -4.202 6.616 1.00 0.00 C ATOM 1476 C LYS B 240 -5.747 -3.765 6.052 1.00 0.00 C ATOM 1477 O LYS B 240 -6.598 -4.602 5.755 1.00 0.00 O ATOM 1478 CB LYS B 240 -4.310 -4.120 8.143 1.00 0.00 C ATOM 1479 CG LYS B 240 -5.704 -4.151 8.771 1.00 0.00 C ATOM 1480 CD LYS B 240 -6.208 -2.736 9.057 1.00 0.00 C ATOM 1481 CE LYS B 240 -7.697 -2.744 9.409 1.00 0.00 C ATOM 1482 NZ LYS B 240 -7.902 -3.246 10.786 1.00 0.00 N ATOM 0 H LYS B 240 -2.816 -2.823 6.656 1.00 0.00 H new ATOM 0 HA LYS B 240 -4.270 -5.256 6.368 1.00 0.00 H new ATOM 0 HB2 LYS B 240 -3.717 -4.952 8.523 1.00 0.00 H new ATOM 0 HB3 LYS B 240 -3.796 -3.204 8.434 1.00 0.00 H new ATOM 0 HG2 LYS B 240 -6.397 -4.659 8.101 1.00 0.00 H new ATOM 0 HG3 LYS B 240 -5.677 -4.725 9.697 1.00 0.00 H new ATOM 0 HD2 LYS B 240 -5.639 -2.303 9.879 1.00 0.00 H new ATOM 0 HD3 LYS B 240 -6.040 -2.103 8.185 1.00 0.00 H new ATOM 0 HE2 LYS B 240 -8.103 -1.737 9.319 1.00 0.00 H new ATOM 0 HE3 LYS B 240 -8.240 -3.371 8.702 1.00 0.00 H new ATOM 0 HZ1 LYS B 240 -8.918 -3.245 11.008 1.00 0.00 H new ATOM 0 HZ2 LYS B 240 -7.532 -4.215 10.861 1.00 0.00 H new ATOM 0 HZ3 LYS B 240 -7.400 -2.631 11.458 1.00 0.00 H new ATOM 1496 N ASP B 241 -5.903 -2.457 5.919 1.00 0.00 N ATOM 1497 CA ASP B 241 -7.138 -1.899 5.395 1.00 0.00 C ATOM 1498 C ASP B 241 -7.397 -2.469 3.998 1.00 0.00 C ATOM 1499 O ASP B 241 -8.512 -2.885 3.691 1.00 0.00 O ATOM 1500 CB ASP B 241 -7.048 -0.376 5.275 1.00 0.00 C ATOM 1501 CG ASP B 241 -8.150 0.272 4.434 1.00 0.00 C ATOM 1502 OD1 ASP B 241 -9.326 -0.076 4.674 1.00 0.00 O ATOM 1503 OD2 ASP B 241 -7.790 1.102 3.571 1.00 0.00 O ATOM 0 H ASP B 241 -5.194 -1.766 6.165 1.00 0.00 H new ATOM 0 HA ASP B 241 -7.944 -2.159 6.082 1.00 0.00 H new ATOM 0 HB2 ASP B 241 -7.075 0.055 6.276 1.00 0.00 H new ATOM 0 HB3 ASP B 241 -6.082 -0.117 4.842 1.00 0.00 H new ATOM 1508 N LEU B 242 -6.347 -2.469 3.190 1.00 0.00 N ATOM 1509 CA LEU B 242 -6.447 -2.981 1.834 1.00 0.00 C ATOM 1510 C LEU B 242 -6.855 -4.455 1.878 1.00 0.00 C ATOM 1511 O LEU B 242 -7.789 -4.864 1.191 1.00 0.00 O ATOM 1512 CB LEU B 242 -5.147 -2.725 1.068 1.00 0.00 C ATOM 1513 CG LEU B 242 -5.073 -1.409 0.292 1.00 0.00 C ATOM 1514 CD1 LEU B 242 -3.852 -0.590 0.717 1.00 0.00 C ATOM 1515 CD2 LEU B 242 -5.099 -1.659 -1.217 1.00 0.00 C ATOM 0 H LEU B 242 -5.423 -2.123 3.448 1.00 0.00 H new ATOM 0 HA LEU B 242 -7.224 -2.452 1.283 1.00 0.00 H new ATOM 0 HB2 LEU B 242 -4.320 -2.753 1.777 1.00 0.00 H new ATOM 0 HB3 LEU B 242 -4.994 -3.546 0.367 1.00 0.00 H new ATOM 0 HG LEU B 242 -5.957 -0.819 0.535 1.00 0.00 H new ATOM 0 HD11 LEU B 242 -3.823 0.341 0.150 1.00 0.00 H new ATOM 0 HD12 LEU B 242 -3.918 -0.365 1.781 1.00 0.00 H new ATOM 0 HD13 LEU B 242 -2.945 -1.162 0.522 1.00 0.00 H new ATOM 0 HD21 LEU B 242 -5.045 -0.707 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU B 242 -4.247 -2.278 -1.498 1.00 0.00 H new ATOM 0 HD23 LEU B 242 -6.023 -2.171 -1.485 1.00 0.00 H new ATOM 1527 N VAL B 243 -6.134 -5.210 2.694 1.00 0.00 N ATOM 1528 CA VAL B 243 -6.410 -6.630 2.837 1.00 0.00 C ATOM 1529 C VAL B 243 -7.807 -6.817 3.433 1.00 0.00 C ATOM 1530 O VAL B 243 -8.600 -7.613 2.930 1.00 0.00 O ATOM 1531 CB VAL B 243 -5.312 -7.296 3.669 1.00 0.00 C ATOM 1532 CG1 VAL B 243 -5.871 -8.467 4.479 1.00 0.00 C ATOM 1533 CG2 VAL B 243 -4.150 -7.747 2.781 1.00 0.00 C ATOM 0 H VAL B 243 -5.360 -4.866 3.262 1.00 0.00 H new ATOM 0 HA VAL B 243 -6.404 -7.119 1.863 1.00 0.00 H new ATOM 0 HB VAL B 243 -4.929 -6.557 4.372 1.00 0.00 H new ATOM 0 HG11 VAL B 243 -5.070 -8.922 5.061 1.00 0.00 H new ATOM 0 HG12 VAL B 243 -6.648 -8.106 5.152 1.00 0.00 H new ATOM 0 HG13 VAL B 243 -6.294 -9.209 3.802 1.00 0.00 H new ATOM 0 HG21 VAL B 243 -3.383 -8.217 3.396 1.00 0.00 H new ATOM 0 HG22 VAL B 243 -4.512 -8.463 2.043 1.00 0.00 H new ATOM 0 HG23 VAL B 243 -3.726 -6.883 2.270 1.00 0.00 H new ATOM 1543 N ASN B 244 -8.067 -6.069 4.495 1.00 0.00 N ATOM 1544 CA ASN B 244 -9.354 -6.143 5.166 1.00 0.00 C ATOM 1545 C ASN B 244 -10.467 -5.870 4.152 1.00 0.00 C ATOM 1546 O ASN B 244 -11.533 -6.479 4.217 1.00 0.00 O ATOM 1547 CB ASN B 244 -9.458 -5.094 6.275 1.00 0.00 C ATOM 1548 CG ASN B 244 -9.279 -5.735 7.653 1.00 0.00 C ATOM 1549 OD1 ASN B 244 -8.072 -6.252 7.857 1.00 0.00 O flip ATOM 1550 ND2 ASN B 244 -10.180 -5.758 8.476 1.00 0.00 N flip ATOM 0 H ASN B 244 -7.408 -5.409 4.908 1.00 0.00 H new ATOM 0 HA ASN B 244 -9.452 -7.138 5.600 1.00 0.00 H new ATOM 0 HB2 ASN B 244 -8.700 -4.325 6.126 1.00 0.00 H new ATOM 0 HB3 ASN B 244 -10.428 -4.599 6.223 1.00 0.00 H new ATOM 0 HD21 ASN B 244 -11.084 -5.342 8.254 1.00 0.00 H new ATOM 0 HD22 ASN B 244 -10.029 -6.194 9.386 1.00 0.00 H new ATOM 1557 N THR B 245 -10.182 -4.954 3.238 1.00 0.00 N ATOM 1558 CA THR B 245 -11.145 -4.593 2.213 1.00 0.00 C ATOM 1559 C THR B 245 -11.240 -5.698 1.159 1.00 0.00 C ATOM 1560 O THR B 245 -12.326 -6.004 0.670 1.00 0.00 O ATOM 1561 CB THR B 245 -10.737 -3.236 1.636 1.00 0.00 C ATOM 1562 OG1 THR B 245 -11.266 -2.292 2.564 1.00 0.00 O ATOM 1563 CG2 THR B 245 -11.458 -2.916 0.326 1.00 0.00 C ATOM 0 H THR B 245 -9.296 -4.451 3.187 1.00 0.00 H new ATOM 0 HA THR B 245 -12.148 -4.496 2.629 1.00 0.00 H new ATOM 0 HB THR B 245 -9.660 -3.221 1.470 1.00 0.00 H new ATOM 0 HG1 THR B 245 -10.600 -2.109 3.259 1.00 0.00 H new ATOM 0 HG21 THR B 245 -11.132 -1.942 -0.040 1.00 0.00 H new ATOM 0 HG22 THR B 245 -11.222 -3.680 -0.415 1.00 0.00 H new ATOM 0 HG23 THR B 245 -12.534 -2.897 0.498 1.00 0.00 H new