USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 693 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: C 69 SER OG : rot -83:sc= 0.958 USER MOD Set 1.2: C 71 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: C 13 THR OG1 : rot 180:sc= -0.229 USER MOD Set 2.2: C 16 GLN : amide:sc= -0.139 K(o=-0.37,f=-1.5!) USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 174:sc=-0.00134 (180deg=-0.0245) USER MOD Single : C 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 180:sc= -0.342 USER MOD Single : C 37 SER OG : rot 180:sc= 0 USER MOD Single : C 38 THR OG1 : rot -83:sc= -0.214 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl -157:sc= -8.96! (180deg=-10.5!) USER MOD Single : C 47 MET CE :methyl 178:sc= -5.1! (180deg=-5.15!) USER MOD Single : C 50 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.74) USER MOD Single : C 51 ASN : amide:sc= -1.64! C(o=-1.6!,f=-5.7!) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0.104 USER MOD Single : C 58 GLN : amide:sc= 0.705 K(o=0.7,f=-1.7!) USER MOD Single : C 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 80 MET CE :methyl -118:sc= -0.0113 (180deg=-0.111) USER MOD Single : C 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot 180:sc= 0 USER MOD Single : C 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : I 3 SER OG : rot 180:sc= 0 USER MOD Single : I 7 MET CE :methyl 157:sc= -8.34! (180deg=-9.78!) USER MOD Single : I 8 MET CE :methyl 145:sc= -9.11! (180deg=-11.5!) USER MOD Single : I 9 GLN : amide:sc= -0.0496 K(o=-0.05,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE C 4 56.757 -11.256 14.208 1.00 0.00 N ATOM 45 CA ILE C 4 55.618 -10.333 13.933 1.00 0.00 C ATOM 46 C ILE C 4 55.706 -9.808 12.498 1.00 0.00 C ATOM 47 O ILE C 4 54.857 -9.066 12.044 1.00 0.00 O ATOM 48 CB ILE C 4 55.782 -9.190 14.935 1.00 0.00 C ATOM 49 CG1 ILE C 4 54.555 -8.276 14.871 1.00 0.00 C ATOM 50 CG2 ILE C 4 57.034 -8.385 14.588 1.00 0.00 C ATOM 51 CD1 ILE C 4 54.751 -7.094 15.823 1.00 0.00 C ATOM 0 HA ILE C 4 54.651 -10.825 14.035 1.00 0.00 H new ATOM 0 HB ILE C 4 55.879 -9.599 15.941 1.00 0.00 H new ATOM 0 HG12 ILE C 4 54.409 -7.916 13.853 1.00 0.00 H new ATOM 0 HG13 ILE C 4 53.659 -8.833 15.144 1.00 0.00 H new ATOM 0 HG21 ILE C 4 57.152 -7.570 15.302 1.00 0.00 H new ATOM 0 HG22 ILE C 4 57.908 -9.035 14.632 1.00 0.00 H new ATOM 0 HG23 ILE C 4 56.936 -7.976 13.583 1.00 0.00 H new ATOM 0 HD11 ILE C 4 53.878 -6.442 15.779 1.00 0.00 H new ATOM 0 HD12 ILE C 4 54.877 -7.463 16.841 1.00 0.00 H new ATOM 0 HD13 ILE C 4 55.638 -6.533 15.529 1.00 0.00 H new ATOM 63 N TYR C 5 56.728 -10.188 11.778 1.00 0.00 N ATOM 64 CA TYR C 5 56.870 -9.714 10.373 1.00 0.00 C ATOM 65 C TYR C 5 56.705 -10.887 9.404 1.00 0.00 C ATOM 66 O TYR C 5 55.804 -10.912 8.588 1.00 0.00 O ATOM 67 CB TYR C 5 58.288 -9.147 10.283 1.00 0.00 C ATOM 68 CG TYR C 5 58.487 -8.100 11.352 1.00 0.00 C ATOM 69 CD1 TYR C 5 57.812 -6.876 11.267 1.00 0.00 C ATOM 70 CD2 TYR C 5 59.347 -8.352 12.427 1.00 0.00 C ATOM 71 CE1 TYR C 5 57.999 -5.903 12.257 1.00 0.00 C ATOM 72 CE2 TYR C 5 59.533 -7.381 13.418 1.00 0.00 C ATOM 73 CZ TYR C 5 58.859 -6.156 13.333 1.00 0.00 C ATOM 74 OH TYR C 5 59.043 -5.198 14.309 1.00 0.00 O ATOM 0 H TYR C 5 57.471 -10.807 12.104 1.00 0.00 H new ATOM 0 HA TYR C 5 56.117 -8.971 10.112 1.00 0.00 H new ATOM 0 HB2 TYR C 5 59.018 -9.947 10.404 1.00 0.00 H new ATOM 0 HB3 TYR C 5 58.454 -8.711 9.298 1.00 0.00 H new ATOM 0 HD1 TYR C 5 57.147 -6.682 10.438 1.00 0.00 H new ATOM 0 HD2 TYR C 5 59.867 -9.296 12.492 1.00 0.00 H new ATOM 0 HE1 TYR C 5 57.480 -4.958 12.191 1.00 0.00 H new ATOM 0 HE2 TYR C 5 60.196 -7.576 14.248 1.00 0.00 H new ATOM 0 HH TYR C 5 59.670 -5.534 14.983 1.00 0.00 H new ATOM 84 N LYS C 6 57.572 -11.860 9.486 1.00 0.00 N ATOM 85 CA LYS C 6 57.471 -13.033 8.570 1.00 0.00 C ATOM 86 C LYS C 6 56.014 -13.483 8.436 1.00 0.00 C ATOM 87 O LYS C 6 55.617 -14.043 7.433 1.00 0.00 O ATOM 88 CB LYS C 6 58.310 -14.126 9.234 1.00 0.00 C ATOM 89 CG LYS C 6 59.736 -14.083 8.681 1.00 0.00 C ATOM 90 CD LYS C 6 59.921 -15.200 7.652 1.00 0.00 C ATOM 91 CE LYS C 6 60.568 -16.414 8.322 1.00 0.00 C ATOM 92 NZ LYS C 6 59.480 -17.424 8.425 1.00 0.00 N ATOM 0 H LYS C 6 58.347 -11.893 10.149 1.00 0.00 H new ATOM 0 HA LYS C 6 57.822 -12.800 7.565 1.00 0.00 H new ATOM 0 HB2 LYS C 6 58.323 -13.983 10.314 1.00 0.00 H new ATOM 0 HB3 LYS C 6 57.866 -15.104 9.047 1.00 0.00 H new ATOM 0 HG2 LYS C 6 59.929 -13.114 8.220 1.00 0.00 H new ATOM 0 HG3 LYS C 6 60.455 -14.199 9.492 1.00 0.00 H new ATOM 0 HD2 LYS C 6 58.957 -15.478 7.225 1.00 0.00 H new ATOM 0 HD3 LYS C 6 60.545 -14.851 6.829 1.00 0.00 H new ATOM 0 HE2 LYS C 6 61.403 -16.792 7.732 1.00 0.00 H new ATOM 0 HE3 LYS C 6 60.963 -16.158 9.305 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 59.870 -18.320 8.781 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 58.748 -17.081 9.080 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 59.060 -17.578 7.486 1.00 0.00 H new ATOM 106 N ALA C 7 55.213 -13.245 9.439 1.00 0.00 N ATOM 107 CA ALA C 7 53.783 -13.662 9.365 1.00 0.00 C ATOM 108 C ALA C 7 53.008 -12.739 8.420 1.00 0.00 C ATOM 109 O ALA C 7 52.316 -13.189 7.528 1.00 0.00 O ATOM 110 CB ALA C 7 53.257 -13.528 10.794 1.00 0.00 C ATOM 0 H ALA C 7 55.486 -12.781 10.305 1.00 0.00 H new ATOM 0 HA ALA C 7 53.669 -14.676 8.981 1.00 0.00 H new ATOM 0 HB1 ALA C 7 52.207 -13.818 10.824 1.00 0.00 H new ATOM 0 HB2 ALA C 7 53.831 -14.177 11.455 1.00 0.00 H new ATOM 0 HB3 ALA C 7 53.358 -12.494 11.123 1.00 0.00 H new ATOM 116 N ALA C 8 53.118 -11.453 8.607 1.00 0.00 N ATOM 117 CA ALA C 8 52.387 -10.504 7.719 1.00 0.00 C ATOM 118 C ALA C 8 52.805 -10.717 6.262 1.00 0.00 C ATOM 119 O ALA C 8 52.007 -10.595 5.354 1.00 0.00 O ATOM 120 CB ALA C 8 52.801 -9.113 8.200 1.00 0.00 C ATOM 0 H ALA C 8 53.682 -11.017 9.336 1.00 0.00 H new ATOM 0 HA ALA C 8 51.307 -10.644 7.763 1.00 0.00 H new ATOM 0 HB1 ALA C 8 52.303 -8.356 7.594 1.00 0.00 H new ATOM 0 HB2 ALA C 8 52.514 -8.989 9.244 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.881 -9.002 8.105 1.00 0.00 H new ATOM 126 N VAL C 9 54.050 -11.033 6.031 1.00 0.00 N ATOM 127 CA VAL C 9 54.515 -11.253 4.631 1.00 0.00 C ATOM 128 C VAL C 9 53.743 -12.413 3.997 1.00 0.00 C ATOM 129 O VAL C 9 53.175 -12.284 2.931 1.00 0.00 O ATOM 130 CB VAL C 9 55.998 -11.603 4.755 1.00 0.00 C ATOM 131 CG1 VAL C 9 56.624 -11.676 3.362 1.00 0.00 C ATOM 132 CG2 VAL C 9 56.709 -10.525 5.575 1.00 0.00 C ATOM 0 H VAL C 9 54.765 -11.148 6.750 1.00 0.00 H new ATOM 0 HA VAL C 9 54.355 -10.379 4.000 1.00 0.00 H new ATOM 0 HB VAL C 9 56.102 -12.568 5.252 1.00 0.00 H new ATOM 0 HG11 VAL C 9 57.681 -11.926 3.451 1.00 0.00 H new ATOM 0 HG12 VAL C 9 56.118 -12.443 2.776 1.00 0.00 H new ATOM 0 HG13 VAL C 9 56.519 -10.712 2.865 1.00 0.00 H new ATOM 0 HG21 VAL C 9 57.766 -10.774 5.664 1.00 0.00 H new ATOM 0 HG22 VAL C 9 56.604 -9.561 5.078 1.00 0.00 H new ATOM 0 HG23 VAL C 9 56.264 -10.471 6.569 1.00 0.00 H new ATOM 142 N GLU C 10 53.718 -13.543 4.645 1.00 0.00 N ATOM 143 CA GLU C 10 52.983 -14.712 4.080 1.00 0.00 C ATOM 144 C GLU C 10 51.530 -14.331 3.787 1.00 0.00 C ATOM 145 O GLU C 10 50.857 -14.965 2.999 1.00 0.00 O ATOM 146 CB GLU C 10 53.046 -15.786 5.167 1.00 0.00 C ATOM 147 CG GLU C 10 54.442 -16.411 5.190 1.00 0.00 C ATOM 148 CD GLU C 10 54.326 -17.908 5.479 1.00 0.00 C ATOM 149 OE1 GLU C 10 53.889 -18.629 4.598 1.00 0.00 O ATOM 150 OE2 GLU C 10 54.674 -18.309 6.578 1.00 0.00 O ATOM 0 H GLU C 10 54.174 -13.710 5.542 1.00 0.00 H new ATOM 0 HA GLU C 10 53.417 -15.057 3.142 1.00 0.00 H new ATOM 0 HB2 GLU C 10 52.816 -15.348 6.139 1.00 0.00 H new ATOM 0 HB3 GLU C 10 52.296 -16.554 4.978 1.00 0.00 H new ATOM 0 HG2 GLU C 10 54.939 -16.252 4.233 1.00 0.00 H new ATOM 0 HG3 GLU C 10 55.055 -15.929 5.952 1.00 0.00 H new ATOM 157 N GLN C 11 51.041 -13.297 4.416 1.00 0.00 N ATOM 158 CA GLN C 11 49.632 -12.875 4.175 1.00 0.00 C ATOM 159 C GLN C 11 49.549 -12.007 2.914 1.00 0.00 C ATOM 160 O GLN C 11 48.479 -11.733 2.408 1.00 0.00 O ATOM 161 CB GLN C 11 49.247 -12.063 5.412 1.00 0.00 C ATOM 162 CG GLN C 11 48.164 -12.809 6.195 1.00 0.00 C ATOM 163 CD GLN C 11 48.753 -13.336 7.505 1.00 0.00 C ATOM 164 OE1 GLN C 11 48.928 -14.528 7.671 1.00 0.00 O ATOM 165 NE2 GLN C 11 49.069 -12.494 8.450 1.00 0.00 N ATOM 0 H GLN C 11 51.556 -12.726 5.086 1.00 0.00 H new ATOM 0 HA GLN C 11 48.966 -13.724 4.020 1.00 0.00 H new ATOM 0 HB2 GLN C 11 50.122 -11.904 6.042 1.00 0.00 H new ATOM 0 HB3 GLN C 11 48.884 -11.079 5.116 1.00 0.00 H new ATOM 0 HG2 GLN C 11 47.326 -12.143 6.402 1.00 0.00 H new ATOM 0 HG3 GLN C 11 47.775 -13.635 5.601 1.00 0.00 H new ATOM 0 HE21 GLN C 11 48.923 -11.494 8.312 1.00 0.00 H new ATOM 0 HE22 GLN C 11 49.462 -12.836 9.327 1.00 0.00 H new ATOM 174 N LEU C 12 50.670 -11.576 2.405 1.00 0.00 N ATOM 175 CA LEU C 12 50.654 -10.729 1.177 1.00 0.00 C ATOM 176 C LEU C 12 49.823 -11.403 0.081 1.00 0.00 C ATOM 177 O LEU C 12 49.780 -12.613 -0.023 1.00 0.00 O ATOM 178 CB LEU C 12 52.118 -10.624 0.749 1.00 0.00 C ATOM 179 CG LEU C 12 52.847 -9.633 1.660 1.00 0.00 C ATOM 180 CD1 LEU C 12 54.319 -9.550 1.251 1.00 0.00 C ATOM 181 CD2 LEU C 12 52.203 -8.251 1.528 1.00 0.00 C ATOM 0 H LEU C 12 51.596 -11.773 2.785 1.00 0.00 H new ATOM 0 HA LEU C 12 50.210 -9.750 1.357 1.00 0.00 H new ATOM 0 HB2 LEU C 12 52.595 -11.603 0.803 1.00 0.00 H new ATOM 0 HB3 LEU C 12 52.182 -10.295 -0.288 1.00 0.00 H new ATOM 0 HG LEU C 12 52.776 -9.971 2.694 1.00 0.00 H new ATOM 0 HD11 LEU C 12 54.838 -8.844 1.900 1.00 0.00 H new ATOM 0 HD12 LEU C 12 54.779 -10.534 1.344 1.00 0.00 H new ATOM 0 HD13 LEU C 12 54.391 -9.213 0.217 1.00 0.00 H new ATOM 0 HD21 LEU C 12 52.721 -7.545 2.176 1.00 0.00 H new ATOM 0 HD22 LEU C 12 52.274 -7.914 0.494 1.00 0.00 H new ATOM 0 HD23 LEU C 12 51.154 -8.309 1.820 1.00 0.00 H new ATOM 193 N THR C 13 49.165 -10.629 -0.736 1.00 0.00 N ATOM 194 CA THR C 13 48.340 -11.224 -1.826 1.00 0.00 C ATOM 195 C THR C 13 49.156 -11.303 -3.119 1.00 0.00 C ATOM 196 O THR C 13 49.913 -10.410 -3.442 1.00 0.00 O ATOM 197 CB THR C 13 47.157 -10.270 -1.994 1.00 0.00 C ATOM 198 OG1 THR C 13 47.474 -9.017 -1.405 1.00 0.00 O ATOM 199 CG2 THR C 13 45.921 -10.859 -1.310 1.00 0.00 C ATOM 0 H THR C 13 49.162 -9.610 -0.697 1.00 0.00 H new ATOM 0 HA THR C 13 48.014 -12.238 -1.593 1.00 0.00 H new ATOM 0 HB THR C 13 46.950 -10.132 -3.055 1.00 0.00 H new ATOM 0 HG1 THR C 13 46.717 -8.404 -1.513 1.00 0.00 H new ATOM 0 HG21 THR C 13 45.079 -10.178 -1.431 1.00 0.00 H new ATOM 0 HG22 THR C 13 45.678 -11.820 -1.763 1.00 0.00 H new ATOM 0 HG23 THR C 13 46.125 -10.999 -0.248 1.00 0.00 H new ATOM 207 N GLU C 14 49.012 -12.367 -3.861 1.00 0.00 N ATOM 208 CA GLU C 14 49.785 -12.500 -5.130 1.00 0.00 C ATOM 209 C GLU C 14 49.775 -11.175 -5.899 1.00 0.00 C ATOM 210 O GLU C 14 50.779 -10.755 -6.439 1.00 0.00 O ATOM 211 CB GLU C 14 49.066 -13.590 -5.924 1.00 0.00 C ATOM 212 CG GLU C 14 50.014 -14.154 -6.985 1.00 0.00 C ATOM 213 CD GLU C 14 50.334 -15.613 -6.659 1.00 0.00 C ATOM 214 OE1 GLU C 14 49.506 -16.461 -6.947 1.00 0.00 O ATOM 215 OE2 GLU C 14 51.404 -15.859 -6.126 1.00 0.00 O ATOM 0 H GLU C 14 48.394 -13.149 -3.645 1.00 0.00 H new ATOM 0 HA GLU C 14 50.830 -12.753 -4.951 1.00 0.00 H new ATOM 0 HB2 GLU C 14 48.736 -14.385 -5.255 1.00 0.00 H new ATOM 0 HB3 GLU C 14 48.173 -13.182 -6.398 1.00 0.00 H new ATOM 0 HG2 GLU C 14 49.556 -14.083 -7.972 1.00 0.00 H new ATOM 0 HG3 GLU C 14 50.932 -13.567 -7.016 1.00 0.00 H new ATOM 222 N GLU C 15 48.651 -10.514 -5.954 1.00 0.00 N ATOM 223 CA GLU C 15 48.587 -9.217 -6.690 1.00 0.00 C ATOM 224 C GLU C 15 49.406 -8.154 -5.953 1.00 0.00 C ATOM 225 O GLU C 15 50.088 -7.351 -6.559 1.00 0.00 O ATOM 226 CB GLU C 15 47.106 -8.841 -6.704 1.00 0.00 C ATOM 227 CG GLU C 15 46.529 -9.096 -8.097 1.00 0.00 C ATOM 228 CD GLU C 15 45.555 -7.974 -8.459 1.00 0.00 C ATOM 229 OE1 GLU C 15 45.924 -6.822 -8.301 1.00 0.00 O ATOM 230 OE2 GLU C 15 44.455 -8.284 -8.888 1.00 0.00 O ATOM 0 H GLU C 15 47.776 -10.814 -5.523 1.00 0.00 H new ATOM 0 HA GLU C 15 48.996 -9.292 -7.698 1.00 0.00 H new ATOM 0 HB2 GLU C 15 46.564 -9.427 -5.961 1.00 0.00 H new ATOM 0 HB3 GLU C 15 46.983 -7.792 -6.434 1.00 0.00 H new ATOM 0 HG2 GLU C 15 47.333 -9.145 -8.832 1.00 0.00 H new ATOM 0 HG3 GLU C 15 46.017 -10.058 -8.120 1.00 0.00 H new ATOM 237 N GLN C 16 49.344 -8.145 -4.649 1.00 0.00 N ATOM 238 CA GLN C 16 50.121 -7.137 -3.872 1.00 0.00 C ATOM 239 C GLN C 16 51.622 -7.365 -4.068 1.00 0.00 C ATOM 240 O GLN C 16 52.393 -6.433 -4.179 1.00 0.00 O ATOM 241 CB GLN C 16 49.726 -7.373 -2.413 1.00 0.00 C ATOM 242 CG GLN C 16 50.733 -6.684 -1.491 1.00 0.00 C ATOM 243 CD GLN C 16 50.013 -6.169 -0.242 1.00 0.00 C ATOM 244 OE1 GLN C 16 48.914 -6.592 0.058 1.00 0.00 O ATOM 245 NE2 GLN C 16 50.591 -5.268 0.504 1.00 0.00 N ATOM 0 H GLN C 16 48.789 -8.792 -4.088 1.00 0.00 H new ATOM 0 HA GLN C 16 49.911 -6.116 -4.190 1.00 0.00 H new ATOM 0 HB2 GLN C 16 48.724 -6.984 -2.229 1.00 0.00 H new ATOM 0 HB3 GLN C 16 49.697 -8.442 -2.202 1.00 0.00 H new ATOM 0 HG2 GLN C 16 51.520 -7.383 -1.208 1.00 0.00 H new ATOM 0 HG3 GLN C 16 51.214 -5.857 -2.013 1.00 0.00 H new ATOM 0 HE21 GLN C 16 51.513 -4.913 0.252 1.00 0.00 H new ATOM 0 HE22 GLN C 16 50.120 -4.919 1.339 1.00 0.00 H new ATOM 254 N LYS C 17 52.043 -8.599 -4.113 1.00 0.00 N ATOM 255 CA LYS C 17 53.493 -8.882 -4.303 1.00 0.00 C ATOM 256 C LYS C 17 54.037 -8.071 -5.484 1.00 0.00 C ATOM 257 O LYS C 17 55.144 -7.574 -5.451 1.00 0.00 O ATOM 258 CB LYS C 17 53.570 -10.380 -4.595 1.00 0.00 C ATOM 259 CG LYS C 17 54.152 -11.105 -3.380 1.00 0.00 C ATOM 260 CD LYS C 17 53.653 -12.552 -3.358 1.00 0.00 C ATOM 261 CE LYS C 17 53.988 -13.185 -2.005 1.00 0.00 C ATOM 262 NZ LYS C 17 55.076 -14.160 -2.295 1.00 0.00 N ATOM 0 H LYS C 17 51.447 -9.422 -4.027 1.00 0.00 H new ATOM 0 HA LYS C 17 54.087 -8.609 -3.431 1.00 0.00 H new ATOM 0 HB2 LYS C 17 52.578 -10.769 -4.823 1.00 0.00 H new ATOM 0 HB3 LYS C 17 54.192 -10.559 -5.472 1.00 0.00 H new ATOM 0 HG2 LYS C 17 55.241 -11.086 -3.420 1.00 0.00 H new ATOM 0 HG3 LYS C 17 53.857 -10.594 -2.463 1.00 0.00 H new ATOM 0 HD2 LYS C 17 52.577 -12.580 -3.528 1.00 0.00 H new ATOM 0 HD3 LYS C 17 54.118 -13.121 -4.163 1.00 0.00 H new ATOM 0 HE2 LYS C 17 54.313 -12.432 -1.287 1.00 0.00 H new ATOM 0 HE3 LYS C 17 53.118 -13.681 -1.575 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 55.360 -14.635 -1.415 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 54.735 -14.868 -2.976 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 55.894 -13.658 -2.697 1.00 0.00 H new ATOM 276 N ASN C 18 53.264 -7.934 -6.526 1.00 0.00 N ATOM 277 CA ASN C 18 53.737 -7.154 -7.705 1.00 0.00 C ATOM 278 C ASN C 18 53.674 -5.653 -7.406 1.00 0.00 C ATOM 279 O ASN C 18 54.041 -4.832 -8.224 1.00 0.00 O ATOM 280 CB ASN C 18 52.769 -7.511 -8.833 1.00 0.00 C ATOM 281 CG ASN C 18 52.994 -8.964 -9.259 1.00 0.00 C ATOM 282 OD1 ASN C 18 54.105 -9.359 -9.548 1.00 0.00 O ATOM 283 ND2 ASN C 18 51.978 -9.779 -9.310 1.00 0.00 N ATOM 0 H ASN C 18 52.327 -8.328 -6.612 1.00 0.00 H new ATOM 0 HA ASN C 18 54.770 -7.386 -7.964 1.00 0.00 H new ATOM 0 HB2 ASN C 18 51.740 -7.374 -8.501 1.00 0.00 H new ATOM 0 HB3 ASN C 18 52.921 -6.844 -9.682 1.00 0.00 H new ATOM 0 HD21 ASN C 18 52.116 -10.749 -9.593 1.00 0.00 H new ATOM 0 HD22 ASN C 18 51.045 -9.447 -9.067 1.00 0.00 H new ATOM 290 N GLU C 19 53.208 -5.288 -6.243 1.00 0.00 N ATOM 291 CA GLU C 19 53.116 -3.841 -5.897 1.00 0.00 C ATOM 292 C GLU C 19 54.419 -3.362 -5.248 1.00 0.00 C ATOM 293 O GLU C 19 55.019 -2.401 -5.684 1.00 0.00 O ATOM 294 CB GLU C 19 51.952 -3.739 -4.909 1.00 0.00 C ATOM 295 CG GLU C 19 50.974 -2.663 -5.383 1.00 0.00 C ATOM 296 CD GLU C 19 50.199 -2.112 -4.186 1.00 0.00 C ATOM 297 OE1 GLU C 19 50.716 -2.191 -3.084 1.00 0.00 O ATOM 298 OE2 GLU C 19 49.101 -1.623 -4.390 1.00 0.00 O ATOM 0 H GLU C 19 52.887 -5.929 -5.517 1.00 0.00 H new ATOM 0 HA GLU C 19 52.957 -3.219 -6.778 1.00 0.00 H new ATOM 0 HB2 GLU C 19 51.443 -4.699 -4.830 1.00 0.00 H new ATOM 0 HB3 GLU C 19 52.325 -3.494 -3.915 1.00 0.00 H new ATOM 0 HG2 GLU C 19 51.516 -1.858 -5.880 1.00 0.00 H new ATOM 0 HG3 GLU C 19 50.283 -3.082 -6.115 1.00 0.00 H new ATOM 305 N PHE C 20 54.858 -4.017 -4.208 1.00 0.00 N ATOM 306 CA PHE C 20 56.119 -3.583 -3.540 1.00 0.00 C ATOM 307 C PHE C 20 57.298 -3.686 -4.513 1.00 0.00 C ATOM 308 O PHE C 20 58.205 -2.878 -4.492 1.00 0.00 O ATOM 309 CB PHE C 20 56.295 -4.532 -2.348 1.00 0.00 C ATOM 310 CG PHE C 20 56.950 -5.823 -2.789 1.00 0.00 C ATOM 311 CD1 PHE C 20 58.346 -5.915 -2.844 1.00 0.00 C ATOM 312 CD2 PHE C 20 56.162 -6.926 -3.137 1.00 0.00 C ATOM 313 CE1 PHE C 20 58.954 -7.109 -3.248 1.00 0.00 C ATOM 314 CE2 PHE C 20 56.770 -8.122 -3.541 1.00 0.00 C ATOM 315 CZ PHE C 20 58.166 -8.213 -3.596 1.00 0.00 C ATOM 0 H PHE C 20 54.401 -4.829 -3.793 1.00 0.00 H new ATOM 0 HA PHE C 20 56.078 -2.544 -3.215 1.00 0.00 H new ATOM 0 HB2 PHE C 20 56.903 -4.053 -1.581 1.00 0.00 H new ATOM 0 HB3 PHE C 20 55.325 -4.745 -1.899 1.00 0.00 H new ATOM 0 HD1 PHE C 20 58.954 -5.064 -2.574 1.00 0.00 H new ATOM 0 HD2 PHE C 20 55.085 -6.855 -3.094 1.00 0.00 H new ATOM 0 HE1 PHE C 20 60.031 -7.179 -3.291 1.00 0.00 H new ATOM 0 HE2 PHE C 20 56.162 -8.973 -3.810 1.00 0.00 H new ATOM 0 HZ PHE C 20 58.635 -9.135 -3.907 1.00 0.00 H new ATOM 325 N LYS C 21 57.292 -4.671 -5.369 1.00 0.00 N ATOM 326 CA LYS C 21 58.412 -4.817 -6.341 1.00 0.00 C ATOM 327 C LYS C 21 58.456 -3.605 -7.275 1.00 0.00 C ATOM 328 O LYS C 21 59.448 -3.345 -7.927 1.00 0.00 O ATOM 329 CB LYS C 21 58.100 -6.098 -7.120 1.00 0.00 C ATOM 330 CG LYS C 21 57.005 -5.822 -8.153 1.00 0.00 C ATOM 331 CD LYS C 21 57.649 -5.407 -9.476 1.00 0.00 C ATOM 332 CE LYS C 21 56.656 -4.574 -10.289 1.00 0.00 C ATOM 333 NZ LYS C 21 57.190 -4.589 -11.680 1.00 0.00 N ATOM 0 H LYS C 21 56.561 -5.380 -5.437 1.00 0.00 H new ATOM 0 HA LYS C 21 59.384 -4.873 -5.851 1.00 0.00 H new ATOM 0 HB2 LYS C 21 59.000 -6.460 -7.618 1.00 0.00 H new ATOM 0 HB3 LYS C 21 57.777 -6.882 -6.435 1.00 0.00 H new ATOM 0 HG2 LYS C 21 56.393 -6.712 -8.297 1.00 0.00 H new ATOM 0 HG3 LYS C 21 56.342 -5.034 -7.795 1.00 0.00 H new ATOM 0 HD2 LYS C 21 58.554 -4.830 -9.287 1.00 0.00 H new ATOM 0 HD3 LYS C 21 57.946 -6.291 -10.041 1.00 0.00 H new ATOM 0 HE2 LYS C 21 55.654 -5.001 -10.246 1.00 0.00 H new ATOM 0 HE3 LYS C 21 56.586 -3.557 -9.904 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 56.562 -4.037 -12.299 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 58.142 -4.170 -11.691 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 57.239 -5.570 -12.022 1.00 0.00 H new ATOM 347 N ALA C 22 57.386 -2.860 -7.342 1.00 0.00 N ATOM 348 CA ALA C 22 57.363 -1.664 -8.232 1.00 0.00 C ATOM 349 C ALA C 22 58.097 -0.496 -7.566 1.00 0.00 C ATOM 350 O ALA C 22 59.023 0.062 -8.120 1.00 0.00 O ATOM 351 CB ALA C 22 55.881 -1.333 -8.412 1.00 0.00 C ATOM 0 H ALA C 22 56.527 -3.028 -6.819 1.00 0.00 H new ATOM 0 HA ALA C 22 57.858 -1.848 -9.185 1.00 0.00 H new ATOM 0 HB1 ALA C 22 55.779 -0.461 -9.057 1.00 0.00 H new ATOM 0 HB2 ALA C 22 55.371 -2.182 -8.867 1.00 0.00 H new ATOM 0 HB3 ALA C 22 55.435 -1.120 -7.440 1.00 0.00 H new ATOM 357 N ALA C 23 57.693 -0.124 -6.382 1.00 0.00 N ATOM 358 CA ALA C 23 58.376 1.006 -5.687 1.00 0.00 C ATOM 359 C ALA C 23 59.882 0.746 -5.626 1.00 0.00 C ATOM 360 O ALA C 23 60.684 1.606 -5.933 1.00 0.00 O ATOM 361 CB ALA C 23 57.776 1.033 -4.282 1.00 0.00 C ATOM 0 H ALA C 23 56.923 -0.551 -5.867 1.00 0.00 H new ATOM 0 HA ALA C 23 58.236 1.956 -6.203 1.00 0.00 H new ATOM 0 HB1 ALA C 23 58.230 1.841 -3.708 1.00 0.00 H new ATOM 0 HB2 ALA C 23 56.700 1.195 -4.349 1.00 0.00 H new ATOM 0 HB3 ALA C 23 57.969 0.082 -3.786 1.00 0.00 H new ATOM 367 N PHE C 24 60.272 -0.437 -5.237 1.00 0.00 N ATOM 368 CA PHE C 24 61.726 -0.755 -5.162 1.00 0.00 C ATOM 369 C PHE C 24 62.394 -0.462 -6.509 1.00 0.00 C ATOM 370 O PHE C 24 63.496 0.048 -6.568 1.00 0.00 O ATOM 371 CB PHE C 24 61.786 -2.249 -4.843 1.00 0.00 C ATOM 372 CG PHE C 24 63.175 -2.772 -5.120 1.00 0.00 C ATOM 373 CD1 PHE C 24 64.274 -2.240 -4.433 1.00 0.00 C ATOM 374 CD2 PHE C 24 63.365 -3.789 -6.062 1.00 0.00 C ATOM 375 CE1 PHE C 24 65.561 -2.724 -4.691 1.00 0.00 C ATOM 376 CE2 PHE C 24 64.652 -4.273 -6.321 1.00 0.00 C ATOM 377 CZ PHE C 24 65.751 -3.742 -5.635 1.00 0.00 C ATOM 0 H PHE C 24 59.647 -1.197 -4.968 1.00 0.00 H new ATOM 0 HA PHE C 24 62.246 -0.159 -4.412 1.00 0.00 H new ATOM 0 HB2 PHE C 24 61.524 -2.419 -3.799 1.00 0.00 H new ATOM 0 HB3 PHE C 24 61.056 -2.789 -5.446 1.00 0.00 H new ATOM 0 HD1 PHE C 24 64.128 -1.456 -3.704 1.00 0.00 H new ATOM 0 HD2 PHE C 24 62.517 -4.201 -6.590 1.00 0.00 H new ATOM 0 HE1 PHE C 24 66.408 -2.313 -4.162 1.00 0.00 H new ATOM 0 HE2 PHE C 24 64.798 -5.056 -7.050 1.00 0.00 H new ATOM 0 HZ PHE C 24 66.744 -4.117 -5.833 1.00 0.00 H new ATOM 387 N ASP C 25 61.735 -0.778 -7.591 1.00 0.00 N ATOM 388 CA ASP C 25 62.332 -0.514 -8.931 1.00 0.00 C ATOM 389 C ASP C 25 62.621 0.980 -9.090 1.00 0.00 C ATOM 390 O ASP C 25 63.684 1.372 -9.529 1.00 0.00 O ATOM 391 CB ASP C 25 61.272 -0.967 -9.936 1.00 0.00 C ATOM 392 CG ASP C 25 61.739 -2.249 -10.627 1.00 0.00 C ATOM 393 OD1 ASP C 25 62.803 -2.222 -11.224 1.00 0.00 O ATOM 394 OD2 ASP C 25 61.027 -3.236 -10.546 1.00 0.00 O ATOM 0 H ASP C 25 60.810 -1.207 -7.605 1.00 0.00 H new ATOM 0 HA ASP C 25 63.276 -1.039 -9.075 1.00 0.00 H new ATOM 0 HB2 ASP C 25 60.324 -1.140 -9.427 1.00 0.00 H new ATOM 0 HB3 ASP C 25 61.099 -0.185 -10.675 1.00 0.00 H new ATOM 399 N ILE C 26 61.687 1.818 -8.730 1.00 0.00 N ATOM 400 CA ILE C 26 61.916 3.285 -8.856 1.00 0.00 C ATOM 401 C ILE C 26 62.914 3.747 -7.792 1.00 0.00 C ATOM 402 O ILE C 26 63.598 4.738 -7.954 1.00 0.00 O ATOM 403 CB ILE C 26 60.548 3.925 -8.618 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.627 3.609 -9.797 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.705 5.440 -8.488 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.884 2.300 -9.529 1.00 0.00 C ATOM 0 H ILE C 26 60.777 1.550 -8.355 1.00 0.00 H new ATOM 0 HA ILE C 26 62.327 3.559 -9.827 1.00 0.00 H new ATOM 0 HB ILE C 26 60.117 3.526 -7.700 1.00 0.00 H new ATOM 0 HG12 ILE C 26 58.914 4.421 -9.943 1.00 0.00 H new ATOM 0 HG13 ILE C 26 60.209 3.527 -10.715 1.00 0.00 H new ATOM 0 HG21 ILE C 26 59.729 5.894 -8.318 1.00 0.00 H new ATOM 0 HG22 ILE C 26 61.361 5.667 -7.648 1.00 0.00 H new ATOM 0 HG23 ILE C 26 61.137 5.841 -9.405 1.00 0.00 H new ATOM 0 HD11 ILE C 26 58.228 2.075 -10.370 1.00 0.00 H new ATOM 0 HD12 ILE C 26 59.604 1.492 -9.405 1.00 0.00 H new ATOM 0 HD13 ILE C 26 58.289 2.399 -8.621 1.00 0.00 H new ATOM 418 N PHE C 27 63.001 3.032 -6.704 1.00 0.00 N ATOM 419 CA PHE C 27 63.953 3.422 -5.625 1.00 0.00 C ATOM 420 C PHE C 27 65.392 3.357 -6.141 1.00 0.00 C ATOM 421 O PHE C 27 66.080 4.356 -6.216 1.00 0.00 O ATOM 422 CB PHE C 27 63.735 2.393 -4.516 1.00 0.00 C ATOM 423 CG PHE C 27 62.642 2.875 -3.592 1.00 0.00 C ATOM 424 CD1 PHE C 27 61.519 3.525 -4.118 1.00 0.00 C ATOM 425 CD2 PHE C 27 62.753 2.673 -2.211 1.00 0.00 C ATOM 426 CE1 PHE C 27 60.507 3.973 -3.261 1.00 0.00 C ATOM 427 CE2 PHE C 27 61.740 3.123 -1.356 1.00 0.00 C ATOM 428 CZ PHE C 27 60.617 3.772 -1.881 1.00 0.00 C ATOM 0 H PHE C 27 62.453 2.193 -6.515 1.00 0.00 H new ATOM 0 HA PHE C 27 63.787 4.441 -5.275 1.00 0.00 H new ATOM 0 HB2 PHE C 27 63.463 1.429 -4.947 1.00 0.00 H new ATOM 0 HB3 PHE C 27 64.659 2.243 -3.957 1.00 0.00 H new ATOM 0 HD1 PHE C 27 61.434 3.680 -5.183 1.00 0.00 H new ATOM 0 HD2 PHE C 27 63.619 2.171 -1.806 1.00 0.00 H new ATOM 0 HE1 PHE C 27 59.640 4.474 -3.666 1.00 0.00 H new ATOM 0 HE2 PHE C 27 61.825 2.969 -0.290 1.00 0.00 H new ATOM 0 HZ PHE C 27 59.835 4.118 -1.221 1.00 0.00 H new ATOM 438 N VAL C 28 65.854 2.189 -6.496 1.00 0.00 N ATOM 439 CA VAL C 28 67.251 2.065 -7.004 1.00 0.00 C ATOM 440 C VAL C 28 67.337 2.564 -8.450 1.00 0.00 C ATOM 441 O VAL C 28 68.391 2.568 -9.052 1.00 0.00 O ATOM 442 CB VAL C 28 67.573 0.571 -6.928 1.00 0.00 C ATOM 443 CG1 VAL C 28 67.103 0.015 -5.582 1.00 0.00 C ATOM 444 CG2 VAL C 28 66.856 -0.168 -8.060 1.00 0.00 C ATOM 0 H VAL C 28 65.326 1.317 -6.457 1.00 0.00 H new ATOM 0 HA VAL C 28 67.955 2.661 -6.423 1.00 0.00 H new ATOM 0 HB VAL C 28 68.649 0.429 -7.026 1.00 0.00 H new ATOM 0 HG11 VAL C 28 67.332 -1.049 -5.528 1.00 0.00 H new ATOM 0 HG12 VAL C 28 67.614 0.538 -4.774 1.00 0.00 H new ATOM 0 HG13 VAL C 28 66.027 0.160 -5.484 1.00 0.00 H new ATOM 0 HG21 VAL C 28 67.087 -1.232 -8.004 1.00 0.00 H new ATOM 0 HG22 VAL C 28 65.780 -0.025 -7.964 1.00 0.00 H new ATOM 0 HG23 VAL C 28 67.190 0.225 -9.020 1.00 0.00 H new ATOM 454 N LEU C 29 66.235 2.987 -9.009 1.00 0.00 N ATOM 455 CA LEU C 29 66.260 3.486 -10.415 1.00 0.00 C ATOM 456 C LEU C 29 67.398 4.493 -10.594 1.00 0.00 C ATOM 457 O LEU C 29 67.254 5.666 -10.310 1.00 0.00 O ATOM 458 CB LEU C 29 64.905 4.162 -10.621 1.00 0.00 C ATOM 459 CG LEU C 29 64.449 3.958 -12.066 1.00 0.00 C ATOM 460 CD1 LEU C 29 63.108 4.661 -12.283 1.00 0.00 C ATOM 461 CD2 LEU C 29 65.492 4.547 -13.017 1.00 0.00 C ATOM 0 H LEU C 29 65.322 3.009 -8.555 1.00 0.00 H new ATOM 0 HA LEU C 29 66.427 2.686 -11.136 1.00 0.00 H new ATOM 0 HB2 LEU C 29 64.170 3.744 -9.934 1.00 0.00 H new ATOM 0 HB3 LEU C 29 64.980 5.226 -10.399 1.00 0.00 H new ATOM 0 HG LEU C 29 64.336 2.892 -12.264 1.00 0.00 H new ATOM 0 HD11 LEU C 29 62.783 4.515 -13.313 1.00 0.00 H new ATOM 0 HD12 LEU C 29 62.364 4.242 -11.605 1.00 0.00 H new ATOM 0 HD13 LEU C 29 63.220 5.727 -12.085 1.00 0.00 H new ATOM 0 HD21 LEU C 29 65.168 4.402 -14.048 1.00 0.00 H new ATOM 0 HD22 LEU C 29 65.605 5.613 -12.819 1.00 0.00 H new ATOM 0 HD23 LEU C 29 66.448 4.046 -12.864 1.00 0.00 H new ATOM 473 N GLY C 30 68.531 4.044 -11.059 1.00 0.00 N ATOM 474 CA GLY C 30 69.679 4.974 -11.252 1.00 0.00 C ATOM 475 C GLY C 30 70.831 4.555 -10.337 1.00 0.00 C ATOM 476 O GLY C 30 71.956 4.982 -10.504 1.00 0.00 O ATOM 0 H GLY C 30 68.712 3.073 -11.314 1.00 0.00 H new ATOM 0 HA2 GLY C 30 70.003 4.959 -12.293 1.00 0.00 H new ATOM 0 HA3 GLY C 30 69.375 5.996 -11.027 1.00 0.00 H new ATOM 480 N ALA C 31 70.558 3.721 -9.370 1.00 0.00 N ATOM 481 CA ALA C 31 71.638 3.275 -8.443 1.00 0.00 C ATOM 482 C ALA C 31 72.804 2.681 -9.237 1.00 0.00 C ATOM 483 O ALA C 31 72.683 2.387 -10.409 1.00 0.00 O ATOM 484 CB ALA C 31 70.988 2.204 -7.564 1.00 0.00 C ATOM 0 H ALA C 31 69.635 3.330 -9.182 1.00 0.00 H new ATOM 0 HA ALA C 31 72.042 4.098 -7.853 1.00 0.00 H new ATOM 0 HB1 ALA C 31 71.721 1.824 -6.852 1.00 0.00 H new ATOM 0 HB2 ALA C 31 70.147 2.638 -7.023 1.00 0.00 H new ATOM 0 HB3 ALA C 31 70.632 1.386 -8.190 1.00 0.00 H new ATOM 490 N GLU C 32 73.933 2.506 -8.608 1.00 0.00 N ATOM 491 CA GLU C 32 75.106 1.934 -9.328 1.00 0.00 C ATOM 492 C GLU C 32 75.076 0.404 -9.262 1.00 0.00 C ATOM 493 O GLU C 32 75.168 -0.272 -10.269 1.00 0.00 O ATOM 494 CB GLU C 32 76.328 2.479 -8.588 1.00 0.00 C ATOM 495 CG GLU C 32 76.696 3.853 -9.149 1.00 0.00 C ATOM 496 CD GLU C 32 77.638 4.565 -8.176 1.00 0.00 C ATOM 497 OE1 GLU C 32 77.643 4.199 -7.013 1.00 0.00 O ATOM 498 OE2 GLU C 32 78.339 5.464 -8.612 1.00 0.00 O ATOM 0 H GLU C 32 74.094 2.734 -7.627 1.00 0.00 H new ATOM 0 HA GLU C 32 75.114 2.204 -10.384 1.00 0.00 H new ATOM 0 HB2 GLU C 32 76.116 2.555 -7.522 1.00 0.00 H new ATOM 0 HB3 GLU C 32 77.168 1.793 -8.698 1.00 0.00 H new ATOM 0 HG2 GLU C 32 77.175 3.744 -10.122 1.00 0.00 H new ATOM 0 HG3 GLU C 32 75.796 4.448 -9.302 1.00 0.00 H new ATOM 505 N ASP C 33 74.951 -0.149 -8.087 1.00 0.00 N ATOM 506 CA ASP C 33 74.918 -1.635 -7.962 1.00 0.00 C ATOM 507 C ASP C 33 73.481 -2.149 -8.088 1.00 0.00 C ATOM 508 O ASP C 33 73.116 -2.763 -9.072 1.00 0.00 O ATOM 509 CB ASP C 33 75.476 -1.927 -6.568 1.00 0.00 C ATOM 510 CG ASP C 33 76.359 -3.175 -6.622 1.00 0.00 C ATOM 511 OD1 ASP C 33 77.455 -3.079 -7.151 1.00 0.00 O ATOM 512 OD2 ASP C 33 75.926 -4.205 -6.132 1.00 0.00 O ATOM 0 H ASP C 33 74.870 0.363 -7.208 1.00 0.00 H new ATOM 0 HA ASP C 33 75.496 -2.128 -8.744 1.00 0.00 H new ATOM 0 HB2 ASP C 33 76.054 -1.075 -6.210 1.00 0.00 H new ATOM 0 HB3 ASP C 33 74.659 -2.077 -5.862 1.00 0.00 H new ATOM 517 N GLY C 34 72.664 -1.907 -7.100 1.00 0.00 N ATOM 518 CA GLY C 34 71.253 -2.383 -7.166 1.00 0.00 C ATOM 519 C GLY C 34 70.662 -2.420 -5.756 1.00 0.00 C ATOM 520 O GLY C 34 69.912 -3.310 -5.406 1.00 0.00 O ATOM 0 H GLY C 34 72.912 -1.400 -6.250 1.00 0.00 H new ATOM 0 HA2 GLY C 34 70.664 -1.722 -7.802 1.00 0.00 H new ATOM 0 HA3 GLY C 34 71.213 -3.375 -7.615 1.00 0.00 H new ATOM 524 N CYS C 35 70.995 -1.456 -4.941 1.00 0.00 N ATOM 525 CA CYS C 35 70.455 -1.432 -3.552 1.00 0.00 C ATOM 526 C CYS C 35 69.871 -0.052 -3.241 1.00 0.00 C ATOM 527 O CYS C 35 69.739 0.786 -4.111 1.00 0.00 O ATOM 528 CB CYS C 35 71.658 -1.721 -2.654 1.00 0.00 C ATOM 529 SG CYS C 35 72.525 -3.189 -3.262 1.00 0.00 S ATOM 0 H CYS C 35 71.618 -0.684 -5.177 1.00 0.00 H new ATOM 0 HA CYS C 35 69.655 -2.158 -3.405 1.00 0.00 H new ATOM 0 HB2 CYS C 35 72.333 -0.865 -2.645 1.00 0.00 H new ATOM 0 HB3 CYS C 35 71.329 -1.879 -1.627 1.00 0.00 H new ATOM 0 HG CYS C 35 73.549 -3.435 -2.500 1.00 0.00 H new ATOM 535 N ILE C 36 69.520 0.193 -2.009 1.00 0.00 N ATOM 536 CA ILE C 36 68.945 1.522 -1.656 1.00 0.00 C ATOM 537 C ILE C 36 69.778 2.195 -0.562 1.00 0.00 C ATOM 538 O ILE C 36 70.364 1.547 0.281 1.00 0.00 O ATOM 539 CB ILE C 36 67.535 1.226 -1.147 1.00 0.00 C ATOM 540 CG1 ILE C 36 66.810 0.327 -2.150 1.00 0.00 C ATOM 541 CG2 ILE C 36 66.765 2.537 -0.988 1.00 0.00 C ATOM 542 CD1 ILE C 36 65.488 -0.148 -1.545 1.00 0.00 C ATOM 0 H ILE C 36 69.606 -0.465 -1.235 1.00 0.00 H new ATOM 0 HA ILE C 36 68.937 2.201 -2.509 1.00 0.00 H new ATOM 0 HB ILE C 36 67.595 0.721 -0.183 1.00 0.00 H new ATOM 0 HG12 ILE C 36 66.624 0.872 -3.075 1.00 0.00 H new ATOM 0 HG13 ILE C 36 67.434 -0.529 -2.405 1.00 0.00 H new ATOM 0 HG21 ILE C 36 65.759 2.326 -0.625 1.00 0.00 H new ATOM 0 HG22 ILE C 36 67.282 3.178 -0.274 1.00 0.00 H new ATOM 0 HG23 ILE C 36 66.704 3.043 -1.952 1.00 0.00 H new ATOM 0 HD11 ILE C 36 64.971 -0.789 -2.259 1.00 0.00 H new ATOM 0 HD12 ILE C 36 65.687 -0.709 -0.632 1.00 0.00 H new ATOM 0 HD13 ILE C 36 64.863 0.715 -1.313 1.00 0.00 H new ATOM 554 N SER C 37 69.828 3.497 -0.576 1.00 0.00 N ATOM 555 CA SER C 37 70.615 4.237 0.450 1.00 0.00 C ATOM 556 C SER C 37 70.044 5.642 0.603 1.00 0.00 C ATOM 557 O SER C 37 70.764 6.607 0.748 1.00 0.00 O ATOM 558 CB SER C 37 72.021 4.305 -0.115 1.00 0.00 C ATOM 559 OG SER C 37 72.929 3.701 0.796 1.00 0.00 O ATOM 0 H SER C 37 69.353 4.086 -1.260 1.00 0.00 H new ATOM 0 HA SER C 37 70.590 3.758 1.429 1.00 0.00 H new ATOM 0 HB2 SER C 37 72.062 3.795 -1.078 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.303 5.343 -0.292 1.00 0.00 H new ATOM 0 HG SER C 37 73.837 3.744 0.430 1.00 0.00 H new ATOM 565 N THR C 38 68.751 5.747 0.540 1.00 0.00 N ATOM 566 CA THR C 38 68.068 7.075 0.650 1.00 0.00 C ATOM 567 C THR C 38 68.308 7.871 -0.633 1.00 0.00 C ATOM 568 O THR C 38 67.380 8.276 -1.302 1.00 0.00 O ATOM 569 CB THR C 38 68.673 7.797 1.864 1.00 0.00 C ATOM 570 OG1 THR C 38 69.812 8.544 1.463 1.00 0.00 O ATOM 571 CG2 THR C 38 69.069 6.785 2.945 1.00 0.00 C ATOM 0 H THR C 38 68.119 4.956 0.414 1.00 0.00 H new ATOM 0 HA THR C 38 66.992 6.964 0.781 1.00 0.00 H new ATOM 0 HB THR C 38 67.925 8.475 2.276 1.00 0.00 H new ATOM 0 HG1 THR C 38 70.593 7.954 1.425 1.00 0.00 H new ATOM 0 HG21 THR C 38 69.496 7.312 3.798 1.00 0.00 H new ATOM 0 HG22 THR C 38 68.187 6.231 3.265 1.00 0.00 H new ATOM 0 HG23 THR C 38 69.806 6.091 2.541 1.00 0.00 H new ATOM 579 N LYS C 39 69.543 8.081 -1.002 1.00 0.00 N ATOM 580 CA LYS C 39 69.807 8.831 -2.262 1.00 0.00 C ATOM 581 C LYS C 39 68.965 8.220 -3.382 1.00 0.00 C ATOM 582 O LYS C 39 68.544 8.893 -4.302 1.00 0.00 O ATOM 583 CB LYS C 39 71.299 8.643 -2.543 1.00 0.00 C ATOM 584 CG LYS C 39 71.670 9.383 -3.829 1.00 0.00 C ATOM 585 CD LYS C 39 73.148 9.777 -3.785 1.00 0.00 C ATOM 586 CE LYS C 39 73.292 11.157 -3.139 1.00 0.00 C ATOM 587 NZ LYS C 39 73.168 12.124 -4.265 1.00 0.00 N ATOM 0 H LYS C 39 70.370 7.770 -0.493 1.00 0.00 H new ATOM 0 HA LYS C 39 69.552 9.888 -2.189 1.00 0.00 H new ATOM 0 HB2 LYS C 39 71.888 9.023 -1.709 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.531 7.583 -2.640 1.00 0.00 H new ATOM 0 HG2 LYS C 39 71.478 8.749 -4.694 1.00 0.00 H new ATOM 0 HG3 LYS C 39 71.049 10.272 -3.941 1.00 0.00 H new ATOM 0 HD2 LYS C 39 73.715 9.038 -3.219 1.00 0.00 H new ATOM 0 HD3 LYS C 39 73.561 9.791 -4.794 1.00 0.00 H new ATOM 0 HE2 LYS C 39 72.520 11.324 -2.388 1.00 0.00 H new ATOM 0 HE3 LYS C 39 74.253 11.259 -2.635 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 73.256 13.094 -3.901 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 73.920 11.945 -4.960 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 72.240 12.009 -4.721 1.00 0.00 H new ATOM 601 N GLU C 40 68.706 6.944 -3.292 1.00 0.00 N ATOM 602 CA GLU C 40 67.876 6.266 -4.327 1.00 0.00 C ATOM 603 C GLU C 40 66.417 6.245 -3.868 1.00 0.00 C ATOM 604 O GLU C 40 65.514 6.590 -4.603 1.00 0.00 O ATOM 605 CB GLU C 40 68.424 4.839 -4.407 1.00 0.00 C ATOM 606 CG GLU C 40 69.924 4.871 -4.705 1.00 0.00 C ATOM 607 CD GLU C 40 70.703 5.052 -3.401 1.00 0.00 C ATOM 608 OE1 GLU C 40 70.070 5.143 -2.363 1.00 0.00 O ATOM 609 OE2 GLU C 40 71.921 5.096 -3.464 1.00 0.00 O ATOM 0 H GLU C 40 69.036 6.338 -2.541 1.00 0.00 H new ATOM 0 HA GLU C 40 67.916 6.769 -5.293 1.00 0.00 H new ATOM 0 HB2 GLU C 40 68.243 4.318 -3.467 1.00 0.00 H new ATOM 0 HB3 GLU C 40 67.902 4.283 -5.186 1.00 0.00 H new ATOM 0 HG2 GLU C 40 70.227 3.946 -5.196 1.00 0.00 H new ATOM 0 HG3 GLU C 40 70.151 5.686 -5.392 1.00 0.00 H new ATOM 616 N LEU C 41 66.190 5.840 -2.649 1.00 0.00 N ATOM 617 CA LEU C 41 64.800 5.787 -2.116 1.00 0.00 C ATOM 618 C LEU C 41 64.238 7.211 -1.981 1.00 0.00 C ATOM 619 O LEU C 41 63.154 7.507 -2.441 1.00 0.00 O ATOM 620 CB LEU C 41 64.947 5.078 -0.752 1.00 0.00 C ATOM 621 CG LEU C 41 64.297 5.883 0.381 1.00 0.00 C ATOM 622 CD1 LEU C 41 62.803 6.044 0.104 1.00 0.00 C ATOM 623 CD2 LEU C 41 64.488 5.140 1.706 1.00 0.00 C ATOM 0 H LEU C 41 66.913 5.541 -1.995 1.00 0.00 H new ATOM 0 HA LEU C 41 64.101 5.256 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU C 41 64.490 4.090 -0.805 1.00 0.00 H new ATOM 0 HB3 LEU C 41 66.004 4.929 -0.532 1.00 0.00 H new ATOM 0 HG LEU C 41 64.764 6.866 0.440 1.00 0.00 H new ATOM 0 HD11 LEU C 41 62.343 6.616 0.910 1.00 0.00 H new ATOM 0 HD12 LEU C 41 62.663 6.570 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU C 41 62.336 5.061 0.045 1.00 0.00 H new ATOM 0 HD21 LEU C 41 64.027 5.710 2.513 1.00 0.00 H new ATOM 0 HD22 LEU C 41 64.020 4.157 1.643 1.00 0.00 H new ATOM 0 HD23 LEU C 41 65.553 5.023 1.907 1.00 0.00 H new ATOM 635 N GLY C 42 64.969 8.089 -1.351 1.00 0.00 N ATOM 636 CA GLY C 42 64.479 9.486 -1.183 1.00 0.00 C ATOM 637 C GLY C 42 64.005 10.032 -2.531 1.00 0.00 C ATOM 638 O GLY C 42 63.005 10.718 -2.617 1.00 0.00 O ATOM 0 H GLY C 42 65.885 7.899 -0.945 1.00 0.00 H new ATOM 0 HA2 GLY C 42 63.662 9.511 -0.462 1.00 0.00 H new ATOM 0 HA3 GLY C 42 65.275 10.115 -0.784 1.00 0.00 H new ATOM 642 N LYS C 43 64.715 9.740 -3.585 1.00 0.00 N ATOM 643 CA LYS C 43 64.304 10.246 -4.926 1.00 0.00 C ATOM 644 C LYS C 43 62.797 10.065 -5.127 1.00 0.00 C ATOM 645 O LYS C 43 62.166 10.804 -5.856 1.00 0.00 O ATOM 646 CB LYS C 43 65.085 9.395 -5.927 1.00 0.00 C ATOM 647 CG LYS C 43 65.904 10.305 -6.845 1.00 0.00 C ATOM 648 CD LYS C 43 65.647 9.925 -8.301 1.00 0.00 C ATOM 649 CE LYS C 43 65.715 11.179 -9.177 1.00 0.00 C ATOM 650 NZ LYS C 43 65.175 10.755 -10.498 1.00 0.00 N ATOM 0 H LYS C 43 65.563 9.173 -3.577 1.00 0.00 H new ATOM 0 HA LYS C 43 64.511 11.310 -5.045 1.00 0.00 H new ATOM 0 HB2 LYS C 43 65.744 8.707 -5.398 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.399 8.788 -6.518 1.00 0.00 H new ATOM 0 HG2 LYS C 43 65.633 11.347 -6.677 1.00 0.00 H new ATOM 0 HG3 LYS C 43 66.965 10.210 -6.615 1.00 0.00 H new ATOM 0 HD2 LYS C 43 66.386 9.196 -8.633 1.00 0.00 H new ATOM 0 HD3 LYS C 43 64.669 9.454 -8.398 1.00 0.00 H new ATOM 0 HE2 LYS C 43 65.125 11.990 -8.751 1.00 0.00 H new ATOM 0 HE3 LYS C 43 66.739 11.543 -9.267 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 65.189 11.562 -11.154 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 65.761 9.986 -10.882 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 64.197 10.420 -10.382 1.00 0.00 H new ATOM 664 N VAL C 44 62.215 9.086 -4.489 1.00 0.00 N ATOM 665 CA VAL C 44 60.750 8.862 -4.649 1.00 0.00 C ATOM 666 C VAL C 44 59.962 9.853 -3.790 1.00 0.00 C ATOM 667 O VAL C 44 58.880 10.275 -4.147 1.00 0.00 O ATOM 668 CB VAL C 44 60.516 7.430 -4.167 1.00 0.00 C ATOM 669 CG1 VAL C 44 59.016 7.195 -3.988 1.00 0.00 C ATOM 670 CG2 VAL C 44 61.067 6.447 -5.203 1.00 0.00 C ATOM 0 H VAL C 44 62.689 8.433 -3.865 1.00 0.00 H new ATOM 0 HA VAL C 44 60.421 9.007 -5.678 1.00 0.00 H new ATOM 0 HB VAL C 44 61.025 7.277 -3.215 1.00 0.00 H new ATOM 0 HG11 VAL C 44 58.846 6.175 -3.644 1.00 0.00 H new ATOM 0 HG12 VAL C 44 58.623 7.896 -3.252 1.00 0.00 H new ATOM 0 HG13 VAL C 44 58.508 7.346 -4.940 1.00 0.00 H new ATOM 0 HG21 VAL C 44 60.901 5.426 -4.860 1.00 0.00 H new ATOM 0 HG22 VAL C 44 60.557 6.598 -6.155 1.00 0.00 H new ATOM 0 HG23 VAL C 44 62.136 6.616 -5.333 1.00 0.00 H new ATOM 680 N MET C 45 60.496 10.228 -2.660 1.00 0.00 N ATOM 681 CA MET C 45 59.776 11.190 -1.778 1.00 0.00 C ATOM 682 C MET C 45 59.357 12.432 -2.571 1.00 0.00 C ATOM 683 O MET C 45 58.191 12.755 -2.665 1.00 0.00 O ATOM 684 CB MET C 45 60.786 11.565 -0.693 1.00 0.00 C ATOM 685 CG MET C 45 60.663 10.594 0.481 1.00 0.00 C ATOM 686 SD MET C 45 60.898 8.899 -0.108 1.00 0.00 S ATOM 687 CE MET C 45 59.165 8.549 -0.491 1.00 0.00 C ATOM 0 H MET C 45 61.399 9.910 -2.309 1.00 0.00 H new ATOM 0 HA MET C 45 58.866 10.760 -1.360 1.00 0.00 H new ATOM 0 HB2 MET C 45 61.798 11.535 -1.098 1.00 0.00 H new ATOM 0 HB3 MET C 45 60.608 12.586 -0.354 1.00 0.00 H new ATOM 0 HG2 MET C 45 61.406 10.832 1.242 1.00 0.00 H new ATOM 0 HG3 MET C 45 59.684 10.695 0.949 1.00 0.00 H new ATOM 0 HE1 MET C 45 59.000 7.472 -0.480 1.00 0.00 H new ATOM 0 HE2 MET C 45 58.525 9.022 0.254 1.00 0.00 H new ATOM 0 HE3 MET C 45 58.924 8.942 -1.479 1.00 0.00 H new ATOM 697 N ARG C 46 60.302 13.131 -3.136 1.00 0.00 N ATOM 698 CA ARG C 46 59.961 14.356 -3.916 1.00 0.00 C ATOM 699 C ARG C 46 58.815 14.072 -4.893 1.00 0.00 C ATOM 700 O ARG C 46 58.008 14.932 -5.181 1.00 0.00 O ATOM 701 CB ARG C 46 61.239 14.712 -4.678 1.00 0.00 C ATOM 702 CG ARG C 46 61.833 13.448 -5.303 1.00 0.00 C ATOM 703 CD ARG C 46 62.812 13.839 -6.412 1.00 0.00 C ATOM 704 NE ARG C 46 61.985 14.563 -7.417 1.00 0.00 N ATOM 705 CZ ARG C 46 62.523 15.500 -8.150 1.00 0.00 C ATOM 706 NH1 ARG C 46 62.856 16.639 -7.611 1.00 0.00 N ATOM 707 NH2 ARG C 46 62.729 15.295 -9.422 1.00 0.00 N ATOM 0 H ARG C 46 61.296 12.908 -3.092 1.00 0.00 H new ATOM 0 HA ARG C 46 59.629 15.170 -3.272 1.00 0.00 H new ATOM 0 HB2 ARG C 46 61.019 15.445 -5.454 1.00 0.00 H new ATOM 0 HB3 ARG C 46 61.962 15.170 -4.003 1.00 0.00 H new ATOM 0 HG2 ARG C 46 62.345 12.859 -4.542 1.00 0.00 H new ATOM 0 HG3 ARG C 46 61.038 12.822 -5.709 1.00 0.00 H new ATOM 0 HD2 ARG C 46 63.611 14.473 -6.028 1.00 0.00 H new ATOM 0 HD3 ARG C 46 63.285 12.960 -6.849 1.00 0.00 H new ATOM 0 HE ARG C 46 60.999 14.327 -7.533 1.00 0.00 H new ATOM 0 HH11 ARG C 46 62.696 16.799 -6.616 1.00 0.00 H new ATOM 0 HH12 ARG C 46 63.276 17.371 -8.184 1.00 0.00 H new ATOM 0 HH21 ARG C 46 62.470 14.403 -9.843 1.00 0.00 H new ATOM 0 HH22 ARG C 46 63.149 16.027 -9.995 1.00 0.00 H new ATOM 721 N MET C 47 58.735 12.873 -5.404 1.00 0.00 N ATOM 722 CA MET C 47 57.636 12.548 -6.358 1.00 0.00 C ATOM 723 C MET C 47 56.316 12.392 -5.602 1.00 0.00 C ATOM 724 O MET C 47 55.260 12.728 -6.099 1.00 0.00 O ATOM 725 CB MET C 47 58.051 11.228 -7.008 1.00 0.00 C ATOM 726 CG MET C 47 58.960 11.517 -8.205 1.00 0.00 C ATOM 727 SD MET C 47 58.823 10.169 -9.405 1.00 0.00 S ATOM 728 CE MET C 47 59.356 8.839 -8.303 1.00 0.00 C ATOM 0 H MET C 47 59.379 12.108 -5.204 1.00 0.00 H new ATOM 0 HA MET C 47 57.484 13.331 -7.101 1.00 0.00 H new ATOM 0 HB2 MET C 47 58.572 10.601 -6.284 1.00 0.00 H new ATOM 0 HB3 MET C 47 57.169 10.676 -7.332 1.00 0.00 H new ATOM 0 HG2 MET C 47 58.678 12.462 -8.670 1.00 0.00 H new ATOM 0 HG3 MET C 47 59.993 11.620 -7.874 1.00 0.00 H new ATOM 0 HE1 MET C 47 59.314 7.888 -8.834 1.00 0.00 H new ATOM 0 HE2 MET C 47 60.378 9.026 -7.975 1.00 0.00 H new ATOM 0 HE3 MET C 47 58.698 8.800 -7.435 1.00 0.00 H new ATOM 738 N LEU C 48 56.368 11.891 -4.397 1.00 0.00 N ATOM 739 CA LEU C 48 55.117 11.723 -3.606 1.00 0.00 C ATOM 740 C LEU C 48 54.571 13.095 -3.200 1.00 0.00 C ATOM 741 O LEU C 48 53.408 13.242 -2.880 1.00 0.00 O ATOM 742 CB LEU C 48 55.534 10.927 -2.369 1.00 0.00 C ATOM 743 CG LEU C 48 56.035 9.546 -2.791 1.00 0.00 C ATOM 744 CD1 LEU C 48 56.242 8.674 -1.551 1.00 0.00 C ATOM 745 CD2 LEU C 48 55.001 8.887 -3.707 1.00 0.00 C ATOM 0 H LEU C 48 57.222 11.591 -3.927 1.00 0.00 H new ATOM 0 HA LEU C 48 54.333 11.217 -4.169 1.00 0.00 H new ATOM 0 HB2 LEU C 48 56.317 11.459 -1.829 1.00 0.00 H new ATOM 0 HB3 LEU C 48 54.689 10.826 -1.688 1.00 0.00 H new ATOM 0 HG LEU C 48 56.981 9.652 -3.323 1.00 0.00 H new ATOM 0 HD11 LEU C 48 56.599 7.690 -1.854 1.00 0.00 H new ATOM 0 HD12 LEU C 48 56.978 9.141 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU C 48 55.297 8.569 -1.018 1.00 0.00 H new ATOM 0 HD21 LEU C 48 55.357 7.902 -4.009 1.00 0.00 H new ATOM 0 HD22 LEU C 48 54.056 8.783 -3.174 1.00 0.00 H new ATOM 0 HD23 LEU C 48 54.852 9.506 -4.592 1.00 0.00 H new ATOM 757 N GLY C 49 55.405 14.097 -3.211 1.00 0.00 N ATOM 758 CA GLY C 49 54.943 15.459 -2.824 1.00 0.00 C ATOM 759 C GLY C 49 55.671 15.903 -1.554 1.00 0.00 C ATOM 760 O GLY C 49 55.369 16.932 -0.983 1.00 0.00 O ATOM 0 H GLY C 49 56.389 14.031 -3.472 1.00 0.00 H new ATOM 0 HA2 GLY C 49 55.137 16.164 -3.632 1.00 0.00 H new ATOM 0 HA3 GLY C 49 53.866 15.455 -2.656 1.00 0.00 H new ATOM 764 N GLN C 50 56.630 15.136 -1.109 1.00 0.00 N ATOM 765 CA GLN C 50 57.377 15.514 0.126 1.00 0.00 C ATOM 766 C GLN C 50 58.854 15.129 -0.011 1.00 0.00 C ATOM 767 O GLN C 50 59.196 14.154 -0.649 1.00 0.00 O ATOM 768 CB GLN C 50 56.725 14.709 1.253 1.00 0.00 C ATOM 769 CG GLN C 50 55.260 15.124 1.405 1.00 0.00 C ATOM 770 CD GLN C 50 54.359 14.050 0.792 1.00 0.00 C ATOM 771 OE1 GLN C 50 53.533 14.341 -0.049 1.00 0.00 O ATOM 772 NE2 GLN C 50 54.484 12.811 1.184 1.00 0.00 N ATOM 0 H GLN C 50 56.928 14.264 -1.547 1.00 0.00 H new ATOM 0 HA GLN C 50 57.338 16.587 0.314 1.00 0.00 H new ATOM 0 HB2 GLN C 50 56.790 13.643 1.036 1.00 0.00 H new ATOM 0 HB3 GLN C 50 57.259 14.877 2.188 1.00 0.00 H new ATOM 0 HG2 GLN C 50 55.017 15.260 2.459 1.00 0.00 H new ATOM 0 HG3 GLN C 50 55.089 16.081 0.913 1.00 0.00 H new ATOM 0 HE21 GLN C 50 55.178 12.567 1.891 1.00 0.00 H new ATOM 0 HE22 GLN C 50 53.888 12.087 0.784 1.00 0.00 H new ATOM 781 N ASN C 51 59.726 15.883 0.595 1.00 0.00 N ATOM 782 CA ASN C 51 61.179 15.560 0.514 1.00 0.00 C ATOM 783 C ASN C 51 61.822 15.730 1.892 1.00 0.00 C ATOM 784 O ASN C 51 62.242 16.811 2.253 1.00 0.00 O ATOM 785 CB ASN C 51 61.762 16.559 -0.487 1.00 0.00 C ATOM 786 CG ASN C 51 61.211 17.958 -0.202 1.00 0.00 C ATOM 787 OD1 ASN C 51 60.013 18.162 -0.187 1.00 0.00 O ATOM 788 ND2 ASN C 51 62.042 18.940 0.020 1.00 0.00 N ATOM 0 H ASN C 51 59.496 16.711 1.144 1.00 0.00 H new ATOM 0 HA ASN C 51 61.361 14.532 0.199 1.00 0.00 H new ATOM 0 HB2 ASN C 51 62.850 16.565 -0.417 1.00 0.00 H new ATOM 0 HB3 ASN C 51 61.509 16.259 -1.504 1.00 0.00 H new ATOM 0 HD21 ASN C 51 61.686 19.877 0.206 1.00 0.00 H new ATOM 0 HD22 ASN C 51 63.048 18.770 0.008 1.00 0.00 H new ATOM 795 N PRO C 52 61.860 14.649 2.620 1.00 0.00 N ATOM 796 CA PRO C 52 62.442 14.663 3.986 1.00 0.00 C ATOM 797 C PRO C 52 63.959 14.846 3.934 1.00 0.00 C ATOM 798 O PRO C 52 64.529 15.122 2.896 1.00 0.00 O ATOM 799 CB PRO C 52 62.076 13.289 4.543 1.00 0.00 C ATOM 800 CG PRO C 52 61.889 12.425 3.338 1.00 0.00 C ATOM 801 CD PRO C 52 61.374 13.317 2.241 1.00 0.00 C ATOM 0 HA PRO C 52 62.067 15.483 4.598 1.00 0.00 H new ATOM 0 HB2 PRO C 52 62.864 12.902 5.189 1.00 0.00 H new ATOM 0 HB3 PRO C 52 61.166 13.335 5.142 1.00 0.00 H new ATOM 0 HG2 PRO C 52 62.830 11.958 3.047 1.00 0.00 H new ATOM 0 HG3 PRO C 52 61.184 11.620 3.545 1.00 0.00 H new ATOM 0 HD2 PRO C 52 61.755 13.014 1.266 1.00 0.00 H new ATOM 0 HD3 PRO C 52 60.286 13.290 2.180 1.00 0.00 H new ATOM 809 N THR C 53 64.617 14.696 5.051 1.00 0.00 N ATOM 810 CA THR C 53 66.098 14.864 5.077 1.00 0.00 C ATOM 811 C THR C 53 66.792 13.512 4.896 1.00 0.00 C ATOM 812 O THR C 53 66.164 12.474 4.971 1.00 0.00 O ATOM 813 CB THR C 53 66.402 15.440 6.461 1.00 0.00 C ATOM 814 OG1 THR C 53 65.542 14.840 7.419 1.00 0.00 O ATOM 815 CG2 THR C 53 66.179 16.953 6.447 1.00 0.00 C ATOM 0 H THR C 53 64.192 14.464 5.949 1.00 0.00 H new ATOM 0 HA THR C 53 66.454 15.510 4.275 1.00 0.00 H new ATOM 0 HB THR C 53 67.440 15.232 6.723 1.00 0.00 H new ATOM 0 HG1 THR C 53 65.736 15.206 8.307 1.00 0.00 H new ATOM 0 HG21 THR C 53 66.396 17.362 7.434 1.00 0.00 H new ATOM 0 HG22 THR C 53 66.840 17.411 5.711 1.00 0.00 H new ATOM 0 HG23 THR C 53 65.142 17.166 6.186 1.00 0.00 H new ATOM 823 N PRO C 54 68.075 13.575 4.665 1.00 0.00 N ATOM 824 CA PRO C 54 68.880 12.344 4.471 1.00 0.00 C ATOM 825 C PRO C 54 69.093 11.629 5.809 1.00 0.00 C ATOM 826 O PRO C 54 69.347 10.442 5.856 1.00 0.00 O ATOM 827 CB PRO C 54 70.204 12.866 3.921 1.00 0.00 C ATOM 828 CG PRO C 54 70.297 14.278 4.407 1.00 0.00 C ATOM 829 CD PRO C 54 68.888 14.791 4.560 1.00 0.00 C ATOM 0 HA PRO C 54 68.403 11.620 3.810 1.00 0.00 H new ATOM 0 HB2 PRO C 54 71.043 12.269 4.280 1.00 0.00 H new ATOM 0 HB3 PRO C 54 70.224 12.822 2.832 1.00 0.00 H new ATOM 0 HG2 PRO C 54 70.828 14.323 5.358 1.00 0.00 H new ATOM 0 HG3 PRO C 54 70.855 14.892 3.700 1.00 0.00 H new ATOM 0 HD2 PRO C 54 68.786 15.417 5.446 1.00 0.00 H new ATOM 0 HD3 PRO C 54 68.589 15.398 3.705 1.00 0.00 H new ATOM 837 N GLU C 55 68.994 12.344 6.896 1.00 0.00 N ATOM 838 CA GLU C 55 69.195 11.707 8.231 1.00 0.00 C ATOM 839 C GLU C 55 68.015 10.792 8.567 1.00 0.00 C ATOM 840 O GLU C 55 68.186 9.618 8.835 1.00 0.00 O ATOM 841 CB GLU C 55 69.267 12.873 9.217 1.00 0.00 C ATOM 842 CG GLU C 55 69.327 12.332 10.647 1.00 0.00 C ATOM 843 CD GLU C 55 69.557 13.488 11.621 1.00 0.00 C ATOM 844 OE1 GLU C 55 70.511 14.223 11.423 1.00 0.00 O ATOM 845 OE2 GLU C 55 68.775 13.621 12.547 1.00 0.00 O ATOM 0 H GLU C 55 68.783 13.342 6.919 1.00 0.00 H new ATOM 0 HA GLU C 55 70.092 11.089 8.262 1.00 0.00 H new ATOM 0 HB2 GLU C 55 70.146 13.483 9.011 1.00 0.00 H new ATOM 0 HB3 GLU C 55 68.396 13.518 9.097 1.00 0.00 H new ATOM 0 HG2 GLU C 55 68.398 11.816 10.891 1.00 0.00 H new ATOM 0 HG3 GLU C 55 70.131 11.601 10.737 1.00 0.00 H new ATOM 852 N GLU C 56 66.821 11.317 8.558 1.00 0.00 N ATOM 853 CA GLU C 56 65.633 10.474 8.879 1.00 0.00 C ATOM 854 C GLU C 56 65.480 9.360 7.841 1.00 0.00 C ATOM 855 O GLU C 56 64.822 8.366 8.075 1.00 0.00 O ATOM 856 CB GLU C 56 64.442 11.430 8.823 1.00 0.00 C ATOM 857 CG GLU C 56 63.988 11.764 10.247 1.00 0.00 C ATOM 858 CD GLU C 56 62.577 11.218 10.473 1.00 0.00 C ATOM 859 OE1 GLU C 56 62.461 10.046 10.793 1.00 0.00 O ATOM 860 OE2 GLU C 56 61.636 11.980 10.322 1.00 0.00 O ATOM 0 H GLU C 56 66.616 12.293 8.343 1.00 0.00 H new ATOM 0 HA GLU C 56 65.720 9.990 9.852 1.00 0.00 H new ATOM 0 HB2 GLU C 56 64.719 12.342 8.295 1.00 0.00 H new ATOM 0 HB3 GLU C 56 63.623 10.975 8.266 1.00 0.00 H new ATOM 0 HG2 GLU C 56 64.678 11.330 10.971 1.00 0.00 H new ATOM 0 HG3 GLU C 56 64.001 12.843 10.401 1.00 0.00 H new ATOM 867 N LEU C 57 66.084 9.518 6.695 1.00 0.00 N ATOM 868 CA LEU C 57 65.973 8.469 5.642 1.00 0.00 C ATOM 869 C LEU C 57 66.722 7.204 6.072 1.00 0.00 C ATOM 870 O LEU C 57 66.188 6.113 6.040 1.00 0.00 O ATOM 871 CB LEU C 57 66.629 9.083 4.405 1.00 0.00 C ATOM 872 CG LEU C 57 65.578 9.287 3.312 1.00 0.00 C ATOM 873 CD1 LEU C 57 66.189 10.090 2.162 1.00 0.00 C ATOM 874 CD2 LEU C 57 65.111 7.926 2.788 1.00 0.00 C ATOM 0 H LEU C 57 66.650 10.328 6.442 1.00 0.00 H new ATOM 0 HA LEU C 57 64.939 8.178 5.456 1.00 0.00 H new ATOM 0 HB2 LEU C 57 67.091 10.036 4.662 1.00 0.00 H new ATOM 0 HB3 LEU C 57 67.424 8.432 4.042 1.00 0.00 H new ATOM 0 HG LEU C 57 64.727 9.829 3.725 1.00 0.00 H new ATOM 0 HD11 LEU C 57 65.441 10.236 1.383 1.00 0.00 H new ATOM 0 HD12 LEU C 57 66.522 11.060 2.532 1.00 0.00 H new ATOM 0 HD13 LEU C 57 67.040 9.547 1.751 1.00 0.00 H new ATOM 0 HD21 LEU C 57 64.362 8.073 2.010 1.00 0.00 H new ATOM 0 HD22 LEU C 57 65.962 7.384 2.375 1.00 0.00 H new ATOM 0 HD23 LEU C 57 64.676 7.351 3.606 1.00 0.00 H new ATOM 886 N GLN C 58 67.957 7.342 6.473 1.00 0.00 N ATOM 887 CA GLN C 58 68.743 6.148 6.903 1.00 0.00 C ATOM 888 C GLN C 58 67.958 5.340 7.941 1.00 0.00 C ATOM 889 O GLN C 58 67.973 4.125 7.936 1.00 0.00 O ATOM 890 CB GLN C 58 70.019 6.719 7.524 1.00 0.00 C ATOM 891 CG GLN C 58 71.148 5.692 7.407 1.00 0.00 C ATOM 892 CD GLN C 58 71.103 4.744 8.607 1.00 0.00 C ATOM 893 OE1 GLN C 58 70.781 5.150 9.706 1.00 0.00 O ATOM 894 NE2 GLN C 58 71.415 3.487 8.442 1.00 0.00 N ATOM 0 H GLN C 58 68.456 8.230 6.522 1.00 0.00 H new ATOM 0 HA GLN C 58 68.957 5.474 6.073 1.00 0.00 H new ATOM 0 HB2 GLN C 58 70.300 7.643 7.019 1.00 0.00 H new ATOM 0 HB3 GLN C 58 69.847 6.968 8.571 1.00 0.00 H new ATOM 0 HG2 GLN C 58 71.046 5.127 6.480 1.00 0.00 H new ATOM 0 HG3 GLN C 58 72.112 6.199 7.367 1.00 0.00 H new ATOM 0 HE21 GLN C 58 71.685 3.145 7.520 1.00 0.00 H new ATOM 0 HE22 GLN C 58 71.388 2.847 9.235 1.00 0.00 H new ATOM 903 N GLU C 59 67.275 6.004 8.830 1.00 0.00 N ATOM 904 CA GLU C 59 66.493 5.274 9.868 1.00 0.00 C ATOM 905 C GLU C 59 65.549 4.264 9.208 1.00 0.00 C ATOM 906 O GLU C 59 65.445 3.130 9.629 1.00 0.00 O ATOM 907 CB GLU C 59 65.697 6.357 10.596 1.00 0.00 C ATOM 908 CG GLU C 59 66.631 7.142 11.517 1.00 0.00 C ATOM 909 CD GLU C 59 65.851 8.266 12.200 1.00 0.00 C ATOM 910 OE1 GLU C 59 64.780 8.593 11.719 1.00 0.00 O ATOM 911 OE2 GLU C 59 66.339 8.780 13.194 1.00 0.00 O ATOM 0 H GLU C 59 67.224 7.021 8.884 1.00 0.00 H new ATOM 0 HA GLU C 59 67.133 4.711 10.548 1.00 0.00 H new ATOM 0 HB2 GLU C 59 65.231 7.028 9.874 1.00 0.00 H new ATOM 0 HB3 GLU C 59 64.893 5.905 11.176 1.00 0.00 H new ATOM 0 HG2 GLU C 59 67.063 6.478 12.266 1.00 0.00 H new ATOM 0 HG3 GLU C 59 67.460 7.557 10.943 1.00 0.00 H new ATOM 918 N MET C 60 64.861 4.668 8.177 1.00 0.00 N ATOM 919 CA MET C 60 63.926 3.731 7.493 1.00 0.00 C ATOM 920 C MET C 60 64.678 2.487 7.017 1.00 0.00 C ATOM 921 O MET C 60 64.145 1.395 7.001 1.00 0.00 O ATOM 922 CB MET C 60 63.379 4.518 6.302 1.00 0.00 C ATOM 923 CG MET C 60 62.215 5.396 6.761 1.00 0.00 C ATOM 924 SD MET C 60 62.286 6.988 5.903 1.00 0.00 S ATOM 925 CE MET C 60 61.459 6.462 4.382 1.00 0.00 C ATOM 0 H MET C 60 64.905 5.606 7.778 1.00 0.00 H new ATOM 0 HA MET C 60 63.130 3.386 8.153 1.00 0.00 H new ATOM 0 HB2 MET C 60 64.166 5.136 5.869 1.00 0.00 H new ATOM 0 HB3 MET C 60 63.046 3.833 5.522 1.00 0.00 H new ATOM 0 HG2 MET C 60 61.267 4.900 6.552 1.00 0.00 H new ATOM 0 HG3 MET C 60 62.264 5.549 7.839 1.00 0.00 H new ATOM 0 HE1 MET C 60 61.392 7.305 3.694 1.00 0.00 H new ATOM 0 HE2 MET C 60 62.030 5.658 3.917 1.00 0.00 H new ATOM 0 HE3 MET C 60 60.456 6.106 4.618 1.00 0.00 H new ATOM 935 N ILE C 61 65.914 2.642 6.630 1.00 0.00 N ATOM 936 CA ILE C 61 66.698 1.466 6.156 1.00 0.00 C ATOM 937 C ILE C 61 67.156 0.621 7.348 1.00 0.00 C ATOM 938 O ILE C 61 67.211 -0.590 7.278 1.00 0.00 O ATOM 939 CB ILE C 61 67.902 2.063 5.425 1.00 0.00 C ATOM 940 CG1 ILE C 61 67.457 2.590 4.059 1.00 0.00 C ATOM 941 CG2 ILE C 61 68.969 0.983 5.232 1.00 0.00 C ATOM 942 CD1 ILE C 61 66.956 4.028 4.205 1.00 0.00 C ATOM 0 H ILE C 61 66.415 3.531 6.621 1.00 0.00 H new ATOM 0 HA ILE C 61 66.113 0.811 5.510 1.00 0.00 H new ATOM 0 HB ILE C 61 68.316 2.881 6.014 1.00 0.00 H new ATOM 0 HG12 ILE C 61 68.288 2.553 3.355 1.00 0.00 H new ATOM 0 HG13 ILE C 61 66.667 1.958 3.653 1.00 0.00 H new ATOM 0 HG21 ILE C 61 69.827 1.408 4.711 1.00 0.00 H new ATOM 0 HG22 ILE C 61 69.285 0.606 6.205 1.00 0.00 H new ATOM 0 HG23 ILE C 61 68.556 0.165 4.643 1.00 0.00 H new ATOM 0 HD11 ILE C 61 66.639 4.403 3.232 1.00 0.00 H new ATOM 0 HD12 ILE C 61 66.113 4.051 4.895 1.00 0.00 H new ATOM 0 HD13 ILE C 61 67.759 4.655 4.592 1.00 0.00 H new ATOM 954 N ASP C 62 67.487 1.252 8.442 1.00 0.00 N ATOM 955 CA ASP C 62 67.942 0.486 9.637 1.00 0.00 C ATOM 956 C ASP C 62 66.787 -0.339 10.213 1.00 0.00 C ATOM 957 O ASP C 62 66.986 -1.406 10.760 1.00 0.00 O ATOM 958 CB ASP C 62 68.392 1.547 10.640 1.00 0.00 C ATOM 959 CG ASP C 62 69.844 1.286 11.045 1.00 0.00 C ATOM 960 OD1 ASP C 62 70.100 0.235 11.608 1.00 0.00 O ATOM 961 OD2 ASP C 62 70.673 2.141 10.785 1.00 0.00 O ATOM 0 H ASP C 62 67.462 2.265 8.560 1.00 0.00 H new ATOM 0 HA ASP C 62 68.742 -0.214 9.396 1.00 0.00 H new ATOM 0 HB2 ASP C 62 68.299 2.540 10.201 1.00 0.00 H new ATOM 0 HB3 ASP C 62 67.749 1.526 11.520 1.00 0.00 H new ATOM 966 N GLU C 63 65.582 0.148 10.098 1.00 0.00 N ATOM 967 CA GLU C 63 64.417 -0.609 10.643 1.00 0.00 C ATOM 968 C GLU C 63 64.289 -1.968 9.950 1.00 0.00 C ATOM 969 O GLU C 63 63.769 -2.914 10.510 1.00 0.00 O ATOM 970 CB GLU C 63 63.200 0.265 10.339 1.00 0.00 C ATOM 971 CG GLU C 63 63.096 1.380 11.382 1.00 0.00 C ATOM 972 CD GLU C 63 62.299 2.549 10.800 1.00 0.00 C ATOM 973 OE1 GLU C 63 61.102 2.393 10.622 1.00 0.00 O ATOM 974 OE2 GLU C 63 62.899 3.579 10.543 1.00 0.00 O ATOM 0 H GLU C 63 65.353 1.036 9.651 1.00 0.00 H new ATOM 0 HA GLU C 63 64.521 -0.809 11.709 1.00 0.00 H new ATOM 0 HB2 GLU C 63 63.288 0.694 9.341 1.00 0.00 H new ATOM 0 HB3 GLU C 63 62.294 -0.340 10.347 1.00 0.00 H new ATOM 0 HG2 GLU C 63 62.609 1.006 12.282 1.00 0.00 H new ATOM 0 HG3 GLU C 63 64.092 1.714 11.674 1.00 0.00 H new ATOM 981 N VAL C 64 64.753 -2.076 8.735 1.00 0.00 N ATOM 982 CA VAL C 64 64.650 -3.377 8.011 1.00 0.00 C ATOM 983 C VAL C 64 66.042 -3.912 7.666 1.00 0.00 C ATOM 984 O VAL C 64 66.204 -4.711 6.766 1.00 0.00 O ATOM 985 CB VAL C 64 63.866 -3.060 6.738 1.00 0.00 C ATOM 986 CG1 VAL C 64 62.492 -2.503 7.110 1.00 0.00 C ATOM 987 CG2 VAL C 64 64.632 -2.020 5.915 1.00 0.00 C ATOM 0 H VAL C 64 65.198 -1.322 8.212 1.00 0.00 H new ATOM 0 HA VAL C 64 64.161 -4.143 8.613 1.00 0.00 H new ATOM 0 HB VAL C 64 63.742 -3.970 6.151 1.00 0.00 H new ATOM 0 HG11 VAL C 64 61.933 -2.277 6.202 1.00 0.00 H new ATOM 0 HG12 VAL C 64 61.947 -3.242 7.697 1.00 0.00 H new ATOM 0 HG13 VAL C 64 62.615 -1.592 7.696 1.00 0.00 H new ATOM 0 HG21 VAL C 64 64.074 -1.792 5.006 1.00 0.00 H new ATOM 0 HG22 VAL C 64 64.755 -1.110 6.502 1.00 0.00 H new ATOM 0 HG23 VAL C 64 65.612 -2.416 5.650 1.00 0.00 H new ATOM 997 N ASP C 65 67.049 -3.480 8.375 1.00 0.00 N ATOM 998 CA ASP C 65 68.427 -3.970 8.083 1.00 0.00 C ATOM 999 C ASP C 65 68.744 -5.195 8.945 1.00 0.00 C ATOM 1000 O ASP C 65 68.980 -5.087 10.131 1.00 0.00 O ATOM 1001 CB ASP C 65 69.347 -2.803 8.442 1.00 0.00 C ATOM 1002 CG ASP C 65 70.480 -2.714 7.418 1.00 0.00 C ATOM 1003 OD1 ASP C 65 70.995 -3.753 7.041 1.00 0.00 O ATOM 1004 OD2 ASP C 65 70.813 -1.606 7.028 1.00 0.00 O ATOM 0 H ASP C 65 66.978 -2.811 9.142 1.00 0.00 H new ATOM 0 HA ASP C 65 68.547 -4.275 7.044 1.00 0.00 H new ATOM 0 HB2 ASP C 65 68.782 -1.871 8.457 1.00 0.00 H new ATOM 0 HB3 ASP C 65 69.757 -2.943 9.442 1.00 0.00 H new ATOM 1009 N GLU C 66 68.750 -6.360 8.356 1.00 0.00 N ATOM 1010 CA GLU C 66 69.047 -7.592 9.141 1.00 0.00 C ATOM 1011 C GLU C 66 70.502 -8.020 8.930 1.00 0.00 C ATOM 1012 O GLU C 66 70.917 -9.076 9.366 1.00 0.00 O ATOM 1013 CB GLU C 66 68.092 -8.648 8.589 1.00 0.00 C ATOM 1014 CG GLU C 66 68.136 -9.887 9.481 1.00 0.00 C ATOM 1015 CD GLU C 66 66.875 -10.723 9.256 1.00 0.00 C ATOM 1016 OE1 GLU C 66 65.813 -10.273 9.652 1.00 0.00 O ATOM 1017 OE2 GLU C 66 66.995 -11.798 8.691 1.00 0.00 O ATOM 0 H GLU C 66 68.562 -6.512 7.365 1.00 0.00 H new ATOM 0 HA GLU C 66 68.916 -7.441 10.212 1.00 0.00 H new ATOM 0 HB2 GLU C 66 67.078 -8.251 8.548 1.00 0.00 H new ATOM 0 HB3 GLU C 66 68.373 -8.910 7.569 1.00 0.00 H new ATOM 0 HG2 GLU C 66 69.023 -10.479 9.255 1.00 0.00 H new ATOM 0 HG3 GLU C 66 68.208 -9.592 10.528 1.00 0.00 H new ATOM 1024 N ASP C 67 71.280 -7.212 8.264 1.00 0.00 N ATOM 1025 CA ASP C 67 72.705 -7.575 8.027 1.00 0.00 C ATOM 1026 C ASP C 67 73.604 -6.358 8.258 1.00 0.00 C ATOM 1027 O ASP C 67 74.768 -6.357 7.911 1.00 0.00 O ATOM 1028 CB ASP C 67 72.765 -8.016 6.565 1.00 0.00 C ATOM 1029 CG ASP C 67 72.099 -6.958 5.684 1.00 0.00 C ATOM 1030 OD1 ASP C 67 71.695 -5.939 6.220 1.00 0.00 O ATOM 1031 OD2 ASP C 67 72.004 -7.184 4.489 1.00 0.00 O ATOM 0 H ASP C 67 70.990 -6.315 7.873 1.00 0.00 H new ATOM 0 HA ASP C 67 73.050 -8.358 8.702 1.00 0.00 H new ATOM 0 HB2 ASP C 67 73.802 -8.158 6.260 1.00 0.00 H new ATOM 0 HB3 ASP C 67 72.262 -8.975 6.443 1.00 0.00 H new ATOM 1036 N GLY C 68 73.070 -5.320 8.842 1.00 0.00 N ATOM 1037 CA GLY C 68 73.892 -4.104 9.094 1.00 0.00 C ATOM 1038 C GLY C 68 74.563 -3.664 7.792 1.00 0.00 C ATOM 1039 O GLY C 68 75.644 -3.110 7.795 1.00 0.00 O ATOM 0 H GLY C 68 72.101 -5.262 9.155 1.00 0.00 H new ATOM 0 HA2 GLY C 68 73.264 -3.302 9.481 1.00 0.00 H new ATOM 0 HA3 GLY C 68 74.647 -4.313 9.852 1.00 0.00 H new ATOM 1043 N SER C 69 73.929 -3.907 6.677 1.00 0.00 N ATOM 1044 CA SER C 69 74.532 -3.504 5.374 1.00 0.00 C ATOM 1045 C SER C 69 74.288 -2.013 5.120 1.00 0.00 C ATOM 1046 O SER C 69 74.991 -1.380 4.358 1.00 0.00 O ATOM 1047 CB SER C 69 73.814 -4.353 4.325 1.00 0.00 C ATOM 1048 OG SER C 69 72.421 -4.067 4.361 1.00 0.00 O ATOM 0 H SER C 69 73.021 -4.367 6.612 1.00 0.00 H new ATOM 0 HA SER C 69 75.611 -3.658 5.351 1.00 0.00 H new ATOM 0 HB2 SER C 69 74.215 -4.142 3.334 1.00 0.00 H new ATOM 0 HB3 SER C 69 73.985 -5.412 4.519 1.00 0.00 H new ATOM 0 HG SER C 69 71.999 -4.587 5.077 1.00 0.00 H new ATOM 1054 N GLY C 70 73.296 -1.448 5.753 1.00 0.00 N ATOM 1055 CA GLY C 70 73.009 0.000 5.548 1.00 0.00 C ATOM 1056 C GLY C 70 72.272 0.190 4.222 1.00 0.00 C ATOM 1057 O GLY C 70 72.119 1.295 3.738 1.00 0.00 O ATOM 0 H GLY C 70 72.672 -1.926 6.403 1.00 0.00 H new ATOM 0 HA2 GLY C 70 72.404 0.382 6.371 1.00 0.00 H new ATOM 0 HA3 GLY C 70 73.939 0.569 5.545 1.00 0.00 H new ATOM 1061 N THR C 71 71.815 -0.878 3.632 1.00 0.00 N ATOM 1062 CA THR C 71 71.087 -0.763 2.335 1.00 0.00 C ATOM 1063 C THR C 71 69.873 -1.694 2.329 1.00 0.00 C ATOM 1064 O THR C 71 69.727 -2.546 3.184 1.00 0.00 O ATOM 1065 CB THR C 71 72.100 -1.196 1.275 1.00 0.00 C ATOM 1066 OG1 THR C 71 72.893 -2.261 1.789 1.00 0.00 O ATOM 1067 CG2 THR C 71 72.995 -0.009 0.909 1.00 0.00 C ATOM 0 H THR C 71 71.913 -1.828 3.991 1.00 0.00 H new ATOM 0 HA THR C 71 70.715 0.246 2.156 1.00 0.00 H new ATOM 0 HB THR C 71 71.575 -1.536 0.382 1.00 0.00 H new ATOM 0 HG1 THR C 71 73.542 -2.542 1.111 1.00 0.00 H new ATOM 0 HG21 THR C 71 73.717 -0.317 0.153 1.00 0.00 H new ATOM 0 HG22 THR C 71 72.382 0.801 0.515 1.00 0.00 H new ATOM 0 HG23 THR C 71 73.524 0.335 1.798 1.00 0.00 H new ATOM 1075 N VAL C 72 69.000 -1.540 1.372 1.00 0.00 N ATOM 1076 CA VAL C 72 67.797 -2.420 1.315 1.00 0.00 C ATOM 1077 C VAL C 72 67.761 -3.184 -0.010 1.00 0.00 C ATOM 1078 O VAL C 72 68.094 -2.657 -1.053 1.00 0.00 O ATOM 1079 CB VAL C 72 66.602 -1.471 1.418 1.00 0.00 C ATOM 1080 CG1 VAL C 72 65.319 -2.219 1.048 1.00 0.00 C ATOM 1081 CG2 VAL C 72 66.491 -0.952 2.852 1.00 0.00 C ATOM 0 H VAL C 72 69.066 -0.845 0.628 1.00 0.00 H new ATOM 0 HA VAL C 72 67.795 -3.164 2.111 1.00 0.00 H new ATOM 0 HB VAL C 72 66.743 -0.634 0.734 1.00 0.00 H new ATOM 0 HG11 VAL C 72 64.469 -1.541 1.122 1.00 0.00 H new ATOM 0 HG12 VAL C 72 65.397 -2.593 0.027 1.00 0.00 H new ATOM 0 HG13 VAL C 72 65.176 -3.056 1.731 1.00 0.00 H new ATOM 0 HG21 VAL C 72 65.640 -0.275 2.929 1.00 0.00 H new ATOM 0 HG22 VAL C 72 66.350 -1.791 3.533 1.00 0.00 H new ATOM 0 HG23 VAL C 72 67.404 -0.419 3.118 1.00 0.00 H new ATOM 1091 N ASP C 73 67.356 -4.422 0.025 1.00 0.00 N ATOM 1092 CA ASP C 73 67.291 -5.223 -1.230 1.00 0.00 C ATOM 1093 C ASP C 73 65.834 -5.544 -1.568 1.00 0.00 C ATOM 1094 O ASP C 73 64.927 -5.199 -0.837 1.00 0.00 O ATOM 1095 CB ASP C 73 68.068 -6.505 -0.926 1.00 0.00 C ATOM 1096 CG ASP C 73 69.560 -6.187 -0.815 1.00 0.00 C ATOM 1097 OD1 ASP C 73 69.883 -5.143 -0.272 1.00 0.00 O ATOM 1098 OD2 ASP C 73 70.352 -6.991 -1.274 1.00 0.00 O ATOM 0 H ASP C 73 67.067 -4.915 0.870 1.00 0.00 H new ATOM 0 HA ASP C 73 67.709 -4.691 -2.085 1.00 0.00 H new ATOM 0 HB2 ASP C 73 67.710 -6.947 0.004 1.00 0.00 H new ATOM 0 HB3 ASP C 73 67.900 -7.239 -1.714 1.00 0.00 H new ATOM 1103 N PHE C 74 65.598 -6.205 -2.669 1.00 0.00 N ATOM 1104 CA PHE C 74 64.196 -6.546 -3.045 1.00 0.00 C ATOM 1105 C PHE C 74 63.558 -7.415 -1.959 1.00 0.00 C ATOM 1106 O PHE C 74 62.358 -7.604 -1.925 1.00 0.00 O ATOM 1107 CB PHE C 74 64.314 -7.325 -4.355 1.00 0.00 C ATOM 1108 CG PHE C 74 62.973 -7.925 -4.706 1.00 0.00 C ATOM 1109 CD1 PHE C 74 61.946 -7.107 -5.190 1.00 0.00 C ATOM 1110 CD2 PHE C 74 62.757 -9.298 -4.545 1.00 0.00 C ATOM 1111 CE1 PHE C 74 60.702 -7.663 -5.515 1.00 0.00 C ATOM 1112 CE2 PHE C 74 61.514 -9.854 -4.870 1.00 0.00 C ATOM 1113 CZ PHE C 74 60.487 -9.036 -5.354 1.00 0.00 C ATOM 0 H PHE C 74 66.313 -6.523 -3.323 1.00 0.00 H new ATOM 0 HA PHE C 74 63.570 -5.661 -3.154 1.00 0.00 H new ATOM 0 HB2 PHE C 74 64.649 -6.664 -5.155 1.00 0.00 H new ATOM 0 HB3 PHE C 74 65.062 -8.112 -4.257 1.00 0.00 H new ATOM 0 HD1 PHE C 74 62.112 -6.047 -5.313 1.00 0.00 H new ATOM 0 HD2 PHE C 74 63.549 -9.929 -4.170 1.00 0.00 H new ATOM 0 HE1 PHE C 74 59.909 -7.032 -5.890 1.00 0.00 H new ATOM 0 HE2 PHE C 74 61.348 -10.914 -4.747 1.00 0.00 H new ATOM 0 HZ PHE C 74 59.528 -9.465 -5.603 1.00 0.00 H new ATOM 1123 N ASP C 75 64.352 -7.946 -1.068 1.00 0.00 N ATOM 1124 CA ASP C 75 63.791 -8.802 0.016 1.00 0.00 C ATOM 1125 C ASP C 75 63.419 -7.941 1.226 1.00 0.00 C ATOM 1126 O ASP C 75 62.298 -7.958 1.692 1.00 0.00 O ATOM 1127 CB ASP C 75 64.917 -9.774 0.374 1.00 0.00 C ATOM 1128 CG ASP C 75 64.392 -11.209 0.307 1.00 0.00 C ATOM 1129 OD1 ASP C 75 63.209 -11.398 0.539 1.00 0.00 O ATOM 1130 OD2 ASP C 75 65.182 -12.094 0.026 1.00 0.00 O ATOM 0 H ASP C 75 65.364 -7.824 -1.044 1.00 0.00 H new ATOM 0 HA ASP C 75 62.886 -9.324 -0.294 1.00 0.00 H new ATOM 0 HB2 ASP C 75 65.753 -9.649 -0.314 1.00 0.00 H new ATOM 0 HB3 ASP C 75 65.293 -9.559 1.374 1.00 0.00 H new ATOM 1135 N GLU C 76 64.354 -7.185 1.734 1.00 0.00 N ATOM 1136 CA GLU C 76 64.057 -6.319 2.911 1.00 0.00 C ATOM 1137 C GLU C 76 62.906 -5.364 2.585 1.00 0.00 C ATOM 1138 O GLU C 76 62.035 -5.123 3.397 1.00 0.00 O ATOM 1139 CB GLU C 76 65.345 -5.533 3.157 1.00 0.00 C ATOM 1140 CG GLU C 76 66.246 -6.311 4.118 1.00 0.00 C ATOM 1141 CD GLU C 76 67.457 -5.451 4.489 1.00 0.00 C ATOM 1142 OE1 GLU C 76 67.498 -4.306 4.066 1.00 0.00 O ATOM 1143 OE2 GLU C 76 68.323 -5.951 5.187 1.00 0.00 O ATOM 0 H GLU C 76 65.311 -7.129 1.385 1.00 0.00 H new ATOM 0 HA GLU C 76 63.756 -6.898 3.784 1.00 0.00 H new ATOM 0 HB2 GLU C 76 65.864 -5.362 2.214 1.00 0.00 H new ATOM 0 HB3 GLU C 76 65.111 -4.554 3.574 1.00 0.00 H new ATOM 0 HG2 GLU C 76 65.690 -6.582 5.016 1.00 0.00 H new ATOM 0 HG3 GLU C 76 66.575 -7.241 3.653 1.00 0.00 H new ATOM 1150 N PHE C 77 62.899 -4.817 1.400 1.00 0.00 N ATOM 1151 CA PHE C 77 61.809 -3.873 1.018 1.00 0.00 C ATOM 1152 C PHE C 77 60.446 -4.438 1.433 1.00 0.00 C ATOM 1153 O PHE C 77 59.579 -3.717 1.887 1.00 0.00 O ATOM 1154 CB PHE C 77 61.905 -3.760 -0.504 1.00 0.00 C ATOM 1155 CG PHE C 77 61.473 -2.380 -0.937 1.00 0.00 C ATOM 1156 CD1 PHE C 77 60.183 -1.925 -0.639 1.00 0.00 C ATOM 1157 CD2 PHE C 77 62.361 -1.555 -1.639 1.00 0.00 C ATOM 1158 CE1 PHE C 77 59.782 -0.646 -1.042 1.00 0.00 C ATOM 1159 CE2 PHE C 77 61.959 -0.277 -2.041 1.00 0.00 C ATOM 1160 CZ PHE C 77 60.670 0.178 -1.744 1.00 0.00 C ATOM 0 H PHE C 77 63.601 -4.983 0.679 1.00 0.00 H new ATOM 0 HA PHE C 77 61.909 -2.904 1.507 1.00 0.00 H new ATOM 0 HB2 PHE C 77 62.928 -3.951 -0.829 1.00 0.00 H new ATOM 0 HB3 PHE C 77 61.275 -4.514 -0.975 1.00 0.00 H new ATOM 0 HD1 PHE C 77 59.497 -2.561 -0.098 1.00 0.00 H new ATOM 0 HD2 PHE C 77 63.356 -1.906 -1.870 1.00 0.00 H new ATOM 0 HE1 PHE C 77 58.787 -0.295 -0.811 1.00 0.00 H new ATOM 0 HE2 PHE C 77 62.644 0.359 -2.581 1.00 0.00 H new ATOM 0 HZ PHE C 77 60.360 1.164 -2.056 1.00 0.00 H new ATOM 1170 N LEU C 78 60.251 -5.720 1.282 1.00 0.00 N ATOM 1171 CA LEU C 78 58.943 -6.326 1.670 1.00 0.00 C ATOM 1172 C LEU C 78 58.634 -6.026 3.141 1.00 0.00 C ATOM 1173 O LEU C 78 57.540 -5.629 3.486 1.00 0.00 O ATOM 1174 CB LEU C 78 59.123 -7.829 1.457 1.00 0.00 C ATOM 1175 CG LEU C 78 59.139 -8.138 -0.041 1.00 0.00 C ATOM 1176 CD1 LEU C 78 59.866 -9.462 -0.281 1.00 0.00 C ATOM 1177 CD2 LEU C 78 57.701 -8.249 -0.555 1.00 0.00 C ATOM 0 H LEU C 78 60.939 -6.374 0.908 1.00 0.00 H new ATOM 0 HA LEU C 78 58.115 -5.927 1.084 1.00 0.00 H new ATOM 0 HB2 LEU C 78 60.053 -8.163 1.917 1.00 0.00 H new ATOM 0 HB3 LEU C 78 58.314 -8.375 1.942 1.00 0.00 H new ATOM 0 HG LEU C 78 59.655 -7.337 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU C 78 59.878 -9.682 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU C 78 60.890 -9.386 0.085 1.00 0.00 H new ATOM 0 HD13 LEU C 78 59.349 -10.262 0.249 1.00 0.00 H new ATOM 0 HD21 LEU C 78 57.712 -8.469 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU C 78 57.186 -9.050 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU C 78 57.180 -7.307 -0.384 1.00 0.00 H new ATOM 1189 N VAL C 79 59.591 -6.217 4.010 1.00 0.00 N ATOM 1190 CA VAL C 79 59.349 -5.946 5.457 1.00 0.00 C ATOM 1191 C VAL C 79 59.073 -4.456 5.682 1.00 0.00 C ATOM 1192 O VAL C 79 58.178 -4.084 6.414 1.00 0.00 O ATOM 1193 CB VAL C 79 60.640 -6.368 6.160 1.00 0.00 C ATOM 1194 CG1 VAL C 79 60.680 -5.767 7.567 1.00 0.00 C ATOM 1195 CG2 VAL C 79 60.688 -7.895 6.259 1.00 0.00 C ATOM 0 H VAL C 79 60.528 -6.548 3.781 1.00 0.00 H new ATOM 0 HA VAL C 79 58.482 -6.486 5.838 1.00 0.00 H new ATOM 0 HB VAL C 79 61.497 -6.010 5.589 1.00 0.00 H new ATOM 0 HG11 VAL C 79 61.601 -6.069 8.066 1.00 0.00 H new ATOM 0 HG12 VAL C 79 60.644 -4.680 7.499 1.00 0.00 H new ATOM 0 HG13 VAL C 79 59.824 -6.123 8.139 1.00 0.00 H new ATOM 0 HG21 VAL C 79 61.607 -8.198 6.760 1.00 0.00 H new ATOM 0 HG22 VAL C 79 59.830 -8.250 6.830 1.00 0.00 H new ATOM 0 HG23 VAL C 79 60.661 -8.326 5.258 1.00 0.00 H new ATOM 1205 N MET C 80 59.839 -3.602 5.063 1.00 0.00 N ATOM 1206 CA MET C 80 59.621 -2.138 5.246 1.00 0.00 C ATOM 1207 C MET C 80 58.137 -1.795 5.095 1.00 0.00 C ATOM 1208 O MET C 80 57.624 -0.913 5.755 1.00 0.00 O ATOM 1209 CB MET C 80 60.438 -1.475 4.138 1.00 0.00 C ATOM 1210 CG MET C 80 61.272 -0.337 4.731 1.00 0.00 C ATOM 1211 SD MET C 80 60.516 1.251 4.303 1.00 0.00 S ATOM 1212 CE MET C 80 61.076 1.312 2.584 1.00 0.00 C ATOM 0 H MET C 80 60.606 -3.853 4.439 1.00 0.00 H new ATOM 0 HA MET C 80 59.923 -1.799 6.237 1.00 0.00 H new ATOM 0 HB2 MET C 80 61.090 -2.209 3.663 1.00 0.00 H new ATOM 0 HB3 MET C 80 59.775 -1.089 3.364 1.00 0.00 H new ATOM 0 HG2 MET C 80 61.333 -0.443 5.814 1.00 0.00 H new ATOM 0 HG3 MET C 80 62.292 -0.381 4.348 1.00 0.00 H new ATOM 0 HE1 MET C 80 61.722 2.179 2.442 1.00 0.00 H new ATOM 0 HE2 MET C 80 61.631 0.404 2.350 1.00 0.00 H new ATOM 0 HE3 MET C 80 60.213 1.391 1.923 1.00 0.00 H new ATOM 1222 N MET C 81 57.442 -2.481 4.228 1.00 0.00 N ATOM 1223 CA MET C 81 55.993 -2.188 4.035 1.00 0.00 C ATOM 1224 C MET C 81 55.156 -2.879 5.116 1.00 0.00 C ATOM 1225 O MET C 81 53.954 -2.715 5.179 1.00 0.00 O ATOM 1226 CB MET C 81 55.657 -2.748 2.654 1.00 0.00 C ATOM 1227 CG MET C 81 55.223 -1.606 1.736 1.00 0.00 C ATOM 1228 SD MET C 81 56.398 -1.450 0.368 1.00 0.00 S ATOM 1229 CE MET C 81 56.025 0.270 -0.053 1.00 0.00 C ATOM 0 H MET C 81 57.815 -3.231 3.646 1.00 0.00 H new ATOM 0 HA MET C 81 55.777 -1.122 4.107 1.00 0.00 H new ATOM 0 HB2 MET C 81 56.525 -3.257 2.235 1.00 0.00 H new ATOM 0 HB3 MET C 81 54.861 -3.488 2.733 1.00 0.00 H new ATOM 0 HG2 MET C 81 54.222 -1.797 1.349 1.00 0.00 H new ATOM 0 HG3 MET C 81 55.176 -0.673 2.297 1.00 0.00 H new ATOM 0 HE1 MET C 81 56.649 0.583 -0.890 1.00 0.00 H new ATOM 0 HE2 MET C 81 54.975 0.357 -0.330 1.00 0.00 H new ATOM 0 HE3 MET C 81 56.227 0.907 0.808 1.00 0.00 H new ATOM 1239 N VAL C 82 55.779 -3.647 5.968 1.00 0.00 N ATOM 1240 CA VAL C 82 55.010 -4.341 7.042 1.00 0.00 C ATOM 1241 C VAL C 82 54.946 -3.463 8.293 1.00 0.00 C ATOM 1242 O VAL C 82 53.917 -3.343 8.927 1.00 0.00 O ATOM 1243 CB VAL C 82 55.791 -5.622 7.328 1.00 0.00 C ATOM 1244 CG1 VAL C 82 55.001 -6.492 8.308 1.00 0.00 C ATOM 1245 CG2 VAL C 82 56.003 -6.389 6.022 1.00 0.00 C ATOM 0 H VAL C 82 56.784 -3.824 5.968 1.00 0.00 H new ATOM 0 HA VAL C 82 53.982 -4.550 6.744 1.00 0.00 H new ATOM 0 HB VAL C 82 56.758 -5.370 7.764 1.00 0.00 H new ATOM 0 HG11 VAL C 82 55.558 -7.407 8.513 1.00 0.00 H new ATOM 0 HG12 VAL C 82 54.847 -5.945 9.238 1.00 0.00 H new ATOM 0 HG13 VAL C 82 54.035 -6.745 7.872 1.00 0.00 H new ATOM 0 HG21 VAL C 82 56.560 -7.304 6.224 1.00 0.00 H new ATOM 0 HG22 VAL C 82 55.036 -6.642 5.587 1.00 0.00 H new ATOM 0 HG23 VAL C 82 56.564 -5.769 5.323 1.00 0.00 H new ATOM 1255 N ARG C 83 56.038 -2.849 8.650 1.00 0.00 N ATOM 1256 CA ARG C 83 56.042 -1.978 9.859 1.00 0.00 C ATOM 1257 C ARG C 83 55.222 -0.710 9.597 1.00 0.00 C ATOM 1258 O ARG C 83 54.626 -0.148 10.493 1.00 0.00 O ATOM 1259 CB ARG C 83 57.511 -1.628 10.093 1.00 0.00 C ATOM 1260 CG ARG C 83 58.333 -2.915 10.205 1.00 0.00 C ATOM 1261 CD ARG C 83 59.820 -2.566 10.292 1.00 0.00 C ATOM 1262 NE ARG C 83 60.222 -2.944 11.675 1.00 0.00 N ATOM 1263 CZ ARG C 83 60.622 -2.027 12.511 1.00 0.00 C ATOM 1264 NH1 ARG C 83 59.993 -0.887 12.578 1.00 0.00 N ATOM 1265 NH2 ARG C 83 61.651 -2.252 13.282 1.00 0.00 N ATOM 0 H ARG C 83 56.929 -2.912 8.157 1.00 0.00 H new ATOM 0 HA ARG C 83 55.600 -2.471 10.725 1.00 0.00 H new ATOM 0 HB2 ARG C 83 57.885 -1.016 9.272 1.00 0.00 H new ATOM 0 HB3 ARG C 83 57.614 -1.038 11.004 1.00 0.00 H new ATOM 0 HG2 ARG C 83 58.029 -3.478 11.088 1.00 0.00 H new ATOM 0 HG3 ARG C 83 58.148 -3.553 9.341 1.00 0.00 H new ATOM 0 HD2 ARG C 83 60.399 -3.114 9.549 1.00 0.00 H new ATOM 0 HD3 ARG C 83 59.988 -1.505 10.108 1.00 0.00 H new ATOM 0 HE ARG C 83 60.184 -3.920 11.968 1.00 0.00 H new ATOM 0 HH11 ARG C 83 59.188 -0.713 11.976 1.00 0.00 H new ATOM 0 HH12 ARG C 83 60.306 -0.170 13.232 1.00 0.00 H new ATOM 0 HH21 ARG C 83 62.142 -3.145 13.230 1.00 0.00 H new ATOM 0 HH22 ARG C 83 61.965 -1.535 13.936 1.00 0.00 H new ATOM 1279 N CYS C 84 55.191 -0.256 8.373 1.00 0.00 N ATOM 1280 CA CYS C 84 54.413 0.976 8.055 1.00 0.00 C ATOM 1281 C CYS C 84 52.926 0.642 7.905 1.00 0.00 C ATOM 1282 O CYS C 84 52.070 1.486 8.084 1.00 0.00 O ATOM 1283 CB CYS C 84 54.987 1.475 6.729 1.00 0.00 C ATOM 1284 SG CYS C 84 54.772 3.268 6.615 1.00 0.00 S ATOM 0 H CYS C 84 55.670 -0.684 7.581 1.00 0.00 H new ATOM 0 HA CYS C 84 54.490 1.727 8.842 1.00 0.00 H new ATOM 0 HB2 CYS C 84 56.044 1.220 6.659 1.00 0.00 H new ATOM 0 HB3 CYS C 84 54.485 0.984 5.895 1.00 0.00 H new ATOM 0 HG CYS C 84 55.262 3.693 5.488 1.00 0.00 H new ATOM 1290 N MET C 85 52.610 -0.582 7.577 1.00 0.00 N ATOM 1291 CA MET C 85 51.177 -0.963 7.418 1.00 0.00 C ATOM 1292 C MET C 85 50.383 -0.559 8.663 1.00 0.00 C ATOM 1293 O MET C 85 50.891 0.100 9.548 1.00 0.00 O ATOM 1294 CB MET C 85 51.186 -2.484 7.256 1.00 0.00 C ATOM 1295 CG MET C 85 50.325 -2.876 6.055 1.00 0.00 C ATOM 1296 SD MET C 85 49.442 -4.414 6.423 1.00 0.00 S ATOM 1297 CE MET C 85 50.742 -5.557 5.898 1.00 0.00 C ATOM 0 H MET C 85 53.280 -1.333 7.413 1.00 0.00 H new ATOM 0 HA MET C 85 50.709 -0.467 6.568 1.00 0.00 H new ATOM 0 HB2 MET C 85 52.207 -2.839 7.116 1.00 0.00 H new ATOM 0 HB3 MET C 85 50.805 -2.959 8.160 1.00 0.00 H new ATOM 0 HG2 MET C 85 49.614 -2.081 5.828 1.00 0.00 H new ATOM 0 HG3 MET C 85 50.951 -3.005 5.172 1.00 0.00 H new ATOM 0 HE1 MET C 85 50.404 -6.583 6.041 1.00 0.00 H new ATOM 0 HE2 MET C 85 50.967 -5.393 4.844 1.00 0.00 H new ATOM 0 HE3 MET C 85 51.640 -5.385 6.492 1.00 0.00 H new ATOM 1411 N SER I 3 52.805 6.819 1.791 1.00 0.00 N ATOM 1412 CA SER I 3 51.494 6.122 1.650 1.00 0.00 C ATOM 1413 C SER I 3 51.430 5.390 0.307 1.00 0.00 C ATOM 1414 O SER I 3 51.389 6.000 -0.742 1.00 0.00 O ATOM 1415 CB SER I 3 50.447 7.232 1.705 1.00 0.00 C ATOM 1416 OG SER I 3 49.928 7.323 3.026 1.00 0.00 O ATOM 0 HA SER I 3 51.336 5.375 2.428 1.00 0.00 H new ATOM 0 HB2 SER I 3 50.892 8.182 1.410 1.00 0.00 H new ATOM 0 HB3 SER I 3 49.643 7.024 0.999 1.00 0.00 H new ATOM 0 HG SER I 3 49.257 8.036 3.065 1.00 0.00 H new ATOM 1422 N ALA I 4 51.421 4.086 0.333 1.00 0.00 N ATOM 1423 CA ALA I 4 51.359 3.317 -0.944 1.00 0.00 C ATOM 1424 C ALA I 4 50.275 3.896 -1.856 1.00 0.00 C ATOM 1425 O ALA I 4 50.528 4.253 -2.990 1.00 0.00 O ATOM 1426 CB ALA I 4 51.005 1.888 -0.530 1.00 0.00 C ATOM 0 H ALA I 4 51.454 3.520 1.181 1.00 0.00 H new ATOM 0 HA ALA I 4 52.297 3.359 -1.498 1.00 0.00 H new ATOM 0 HB1 ALA I 4 50.940 1.258 -1.417 1.00 0.00 H new ATOM 0 HB2 ALA I 4 51.776 1.500 0.135 1.00 0.00 H new ATOM 0 HB3 ALA I 4 50.045 1.886 -0.013 1.00 0.00 H new ATOM 1432 N ASP I 5 49.068 3.991 -1.369 1.00 0.00 N ATOM 1433 CA ASP I 5 47.967 4.547 -2.207 1.00 0.00 C ATOM 1434 C ASP I 5 48.409 5.856 -2.867 1.00 0.00 C ATOM 1435 O ASP I 5 48.217 6.063 -4.049 1.00 0.00 O ATOM 1436 CB ASP I 5 46.817 4.801 -1.231 1.00 0.00 C ATOM 1437 CG ASP I 5 45.694 5.548 -1.951 1.00 0.00 C ATOM 1438 OD1 ASP I 5 45.900 6.700 -2.294 1.00 0.00 O ATOM 1439 OD2 ASP I 5 44.646 4.955 -2.147 1.00 0.00 O ATOM 0 H ASP I 5 48.796 3.708 -0.427 1.00 0.00 H new ATOM 0 HA ASP I 5 47.679 3.869 -3.011 1.00 0.00 H new ATOM 0 HB2 ASP I 5 46.445 3.855 -0.837 1.00 0.00 H new ATOM 0 HB3 ASP I 5 47.170 5.384 -0.381 1.00 0.00 H new ATOM 1444 N ALA I 6 48.999 6.742 -2.112 1.00 0.00 N ATOM 1445 CA ALA I 6 49.452 8.038 -2.696 1.00 0.00 C ATOM 1446 C ALA I 6 50.772 7.850 -3.448 1.00 0.00 C ATOM 1447 O ALA I 6 51.249 8.745 -4.117 1.00 0.00 O ATOM 1448 CB ALA I 6 49.648 8.965 -1.496 1.00 0.00 C ATOM 0 H ALA I 6 49.187 6.625 -1.116 1.00 0.00 H new ATOM 0 HA ALA I 6 48.735 8.440 -3.411 1.00 0.00 H new ATOM 0 HB1 ALA I 6 49.982 9.943 -1.842 1.00 0.00 H new ATOM 0 HB2 ALA I 6 48.704 9.073 -0.961 1.00 0.00 H new ATOM 0 HB3 ALA I 6 50.397 8.541 -0.827 1.00 0.00 H new ATOM 1454 N MET I 7 51.368 6.695 -3.342 1.00 0.00 N ATOM 1455 CA MET I 7 52.658 6.453 -4.050 1.00 0.00 C ATOM 1456 C MET I 7 52.398 6.049 -5.503 1.00 0.00 C ATOM 1457 O MET I 7 53.165 6.365 -6.391 1.00 0.00 O ATOM 1458 CB MET I 7 53.319 5.308 -3.284 1.00 0.00 C ATOM 1459 CG MET I 7 54.730 5.078 -3.828 1.00 0.00 C ATOM 1460 SD MET I 7 55.588 3.871 -2.789 1.00 0.00 S ATOM 1461 CE MET I 7 57.226 4.056 -3.533 1.00 0.00 C ATOM 0 H MET I 7 51.018 5.908 -2.796 1.00 0.00 H new ATOM 0 HA MET I 7 53.287 7.342 -4.078 1.00 0.00 H new ATOM 0 HB2 MET I 7 53.362 5.544 -2.221 1.00 0.00 H new ATOM 0 HB3 MET I 7 52.726 4.399 -3.385 1.00 0.00 H new ATOM 0 HG2 MET I 7 54.681 4.719 -4.856 1.00 0.00 H new ATOM 0 HG3 MET I 7 55.282 6.017 -3.845 1.00 0.00 H new ATOM 0 HE1 MET I 7 57.987 3.734 -2.822 1.00 0.00 H new ATOM 0 HE2 MET I 7 57.288 3.444 -4.433 1.00 0.00 H new ATOM 0 HE3 MET I 7 57.391 5.101 -3.793 1.00 0.00 H new ATOM 1471 N MET I 8 51.324 5.353 -5.753 1.00 0.00 N ATOM 1472 CA MET I 8 51.019 4.928 -7.149 1.00 0.00 C ATOM 1473 C MET I 8 50.607 6.136 -7.995 1.00 0.00 C ATOM 1474 O MET I 8 50.856 6.187 -9.183 1.00 0.00 O ATOM 1475 CB MET I 8 49.859 3.942 -7.018 1.00 0.00 C ATOM 1476 CG MET I 8 50.228 2.850 -6.011 1.00 0.00 C ATOM 1477 SD MET I 8 51.830 2.133 -6.459 1.00 0.00 S ATOM 1478 CE MET I 8 52.742 2.680 -4.994 1.00 0.00 C ATOM 0 H MET I 8 50.644 5.060 -5.052 1.00 0.00 H new ATOM 0 HA MET I 8 51.882 4.479 -7.641 1.00 0.00 H new ATOM 0 HB2 MET I 8 48.959 4.464 -6.691 1.00 0.00 H new ATOM 0 HB3 MET I 8 49.635 3.497 -7.987 1.00 0.00 H new ATOM 0 HG2 MET I 8 50.273 3.268 -5.005 1.00 0.00 H new ATOM 0 HG3 MET I 8 49.461 2.076 -6.001 1.00 0.00 H new ATOM 0 HE1 MET I 8 53.476 1.923 -4.719 1.00 0.00 H new ATOM 0 HE2 MET I 8 53.253 3.618 -5.213 1.00 0.00 H new ATOM 0 HE3 MET I 8 52.047 2.829 -4.168 1.00 0.00 H new ATOM 1488 N GLN I 9 49.976 7.109 -7.394 1.00 0.00 N ATOM 1489 CA GLN I 9 49.549 8.310 -8.168 1.00 0.00 C ATOM 1490 C GLN I 9 50.744 9.233 -8.419 1.00 0.00 C ATOM 1491 O GLN I 9 50.856 9.850 -9.460 1.00 0.00 O ATOM 1492 CB GLN I 9 48.512 9.004 -7.284 1.00 0.00 C ATOM 1493 CG GLN I 9 47.117 8.801 -7.878 1.00 0.00 C ATOM 1494 CD GLN I 9 46.821 9.913 -8.886 1.00 0.00 C ATOM 1495 OE1 GLN I 9 47.724 10.578 -9.356 1.00 0.00 O ATOM 1496 NE2 GLN I 9 45.587 10.146 -9.240 1.00 0.00 N ATOM 0 H GLN I 9 49.738 7.124 -6.402 1.00 0.00 H new ATOM 0 HA GLN I 9 49.142 8.047 -9.144 1.00 0.00 H new ATOM 0 HB2 GLN I 9 48.551 8.599 -6.273 1.00 0.00 H new ATOM 0 HB3 GLN I 9 48.736 10.068 -7.210 1.00 0.00 H new ATOM 0 HG2 GLN I 9 47.057 7.828 -8.366 1.00 0.00 H new ATOM 0 HG3 GLN I 9 46.369 8.807 -7.085 1.00 0.00 H new ATOM 0 HE21 GLN I 9 44.829 9.588 -8.846 1.00 0.00 H new ATOM 0 HE22 GLN I 9 45.380 10.886 -9.911 1.00 0.00 H new ATOM 1505 N ALA I 10 51.639 9.332 -7.474 1.00 0.00 N ATOM 1506 CA ALA I 10 52.827 10.215 -7.663 1.00 0.00 C ATOM 1507 C ALA I 10 53.804 9.581 -8.656 1.00 0.00 C ATOM 1508 O ALA I 10 54.205 10.193 -9.626 1.00 0.00 O ATOM 1509 CB ALA I 10 53.464 10.322 -6.277 1.00 0.00 C ATOM 0 H ALA I 10 51.600 8.841 -6.581 1.00 0.00 H new ATOM 0 HA ALA I 10 52.557 11.192 -8.064 1.00 0.00 H new ATOM 0 HB1 ALA I 10 54.348 10.958 -6.331 1.00 0.00 H new ATOM 0 HB2 ALA I 10 52.747 10.756 -5.580 1.00 0.00 H new ATOM 0 HB3 ALA I 10 53.752 9.329 -5.931 1.00 0.00 H new ATOM 1515 N LEU I 11 54.192 8.358 -8.418 1.00 0.00 N ATOM 1516 CA LEU I 11 55.145 7.684 -9.345 1.00 0.00 C ATOM 1517 C LEU I 11 54.686 6.245 -9.618 1.00 0.00 C ATOM 1518 O LEU I 11 53.523 5.994 -9.864 1.00 0.00 O ATOM 1519 CB LEU I 11 56.485 7.701 -8.607 1.00 0.00 C ATOM 1520 CG LEU I 11 56.338 6.982 -7.266 1.00 0.00 C ATOM 1521 CD1 LEU I 11 57.648 6.272 -6.917 1.00 0.00 C ATOM 1522 CD2 LEU I 11 56.007 8.003 -6.176 1.00 0.00 C ATOM 0 H LEU I 11 53.890 7.796 -7.622 1.00 0.00 H new ATOM 0 HA LEU I 11 55.210 8.180 -10.314 1.00 0.00 H new ATOM 0 HB2 LEU I 11 57.251 7.214 -9.211 1.00 0.00 H new ATOM 0 HB3 LEU I 11 56.811 8.729 -8.447 1.00 0.00 H new ATOM 0 HG LEU I 11 55.536 6.247 -7.335 1.00 0.00 H new ATOM 0 HD11 LEU I 11 57.541 5.760 -5.961 1.00 0.00 H new ATOM 0 HD12 LEU I 11 57.886 5.545 -7.693 1.00 0.00 H new ATOM 0 HD13 LEU I 11 58.452 7.005 -6.848 1.00 0.00 H new ATOM 0 HD21 LEU I 11 55.902 7.492 -5.219 1.00 0.00 H new ATOM 0 HD22 LEU I 11 56.810 8.737 -6.109 1.00 0.00 H new ATOM 0 HD23 LEU I 11 55.073 8.508 -6.422 1.00 0.00 H new ATOM 1534 N LEU I 12 55.586 5.298 -9.582 1.00 0.00 N ATOM 1535 CA LEU I 12 55.189 3.885 -9.843 1.00 0.00 C ATOM 1536 C LEU I 12 54.448 3.786 -11.179 1.00 0.00 C ATOM 1537 O LEU I 12 53.368 3.236 -11.261 1.00 0.00 O ATOM 1538 CB LEU I 12 54.258 3.514 -8.687 1.00 0.00 C ATOM 1539 CG LEU I 12 55.066 2.858 -7.566 1.00 0.00 C ATOM 1540 CD1 LEU I 12 55.697 1.563 -8.078 1.00 0.00 C ATOM 1541 CD2 LEU I 12 56.169 3.813 -7.103 1.00 0.00 C ATOM 0 H LEU I 12 56.576 5.442 -9.384 1.00 0.00 H new ATOM 0 HA LEU I 12 56.049 3.218 -9.903 1.00 0.00 H new ATOM 0 HB2 LEU I 12 53.755 4.405 -8.312 1.00 0.00 H new ATOM 0 HB3 LEU I 12 53.482 2.833 -9.036 1.00 0.00 H new ATOM 0 HG LEU I 12 54.404 2.633 -6.729 1.00 0.00 H new ATOM 0 HD11 LEU I 12 56.272 1.097 -7.278 1.00 0.00 H new ATOM 0 HD12 LEU I 12 54.913 0.881 -8.405 1.00 0.00 H new ATOM 0 HD13 LEU I 12 56.357 1.786 -8.916 1.00 0.00 H new ATOM 0 HD21 LEU I 12 56.744 3.345 -6.304 1.00 0.00 H new ATOM 0 HD22 LEU I 12 56.829 4.040 -7.940 1.00 0.00 H new ATOM 0 HD23 LEU I 12 55.720 4.735 -6.734 1.00 0.00 H new