USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 695 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 80 MET CE :methyl 163:sc= 0 (180deg=0) USER MOD Set 1.2: C 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: C 35 CYS SG : rot 93:sc= 0.137 USER MOD Set 2.2: C 69 SER OG : rot -112:sc= 1.05 USER MOD Set 2.3: C 71 THR OG1 : rot -39:sc= 0.0159 USER MOD Single : C 5 TYR OH : rot 180:sc= 0 USER MOD Single : C 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 13 THR OG1 : rot -169:sc= 0.0493 USER MOD Single : C 16 GLN : amide:sc= -11! C(o=-11!,f=-13!) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -3.28! C(o=-3.3!,f=-3.4!) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 37 SER OG : rot 180:sc=-0.00934 USER MOD Single : C 38 THR OG1 : rot 135:sc= 0.00705 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0163) USER MOD Single : C 45 MET CE :methyl 165:sc= -2.21! (180deg=-3.42!) USER MOD Single : C 47 MET CE :methyl 155:sc= -7.27! (180deg=-8.86!) USER MOD Single : C 50 GLN : amide:sc= -0.144 K(o=-0.14,f=-6.8!) USER MOD Single : C 51 ASN : amide:sc= -4.98! C(o=-5!,f=-14!) USER MOD Single : C 53 THR OG1 : rot 74:sc= 0.0538 USER MOD Single : C 58 GLN : amide:sc= -5.79! C(o=-5.8!,f=-4.9!) USER MOD Single : C 60 MET CE :methyl -150:sc= -2.5! (180deg=-3.33!) USER MOD Single : C 84 CYS SG : rot -37:sc= -1.08 USER MOD Single : C 85 MET CE :methyl 174:sc= -0.733 (180deg=-0.878) USER MOD Single : C 86 LYS NZ :NH3+ -120:sc= -0.92 (180deg=-2.5!) USER MOD Single : I 149 SER OG : rot 180:sc= 0 USER MOD Single : I 153 MET CE :methyl -173:sc= -4.02! (180deg=-4.35!) USER MOD Single : I 154 MET CE :methyl 173:sc= -0.0567 (180deg=-0.129) USER MOD Single : I 155 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 63 N TYR C 5 89.015 -16.484 0.598 1.00 0.00 N ATOM 64 CA TYR C 5 88.509 -15.235 1.155 1.00 0.00 C ATOM 65 C TYR C 5 87.110 -15.428 1.729 1.00 0.00 C ATOM 66 O TYR C 5 86.736 -14.790 2.712 1.00 0.00 O ATOM 67 CB TYR C 5 88.477 -14.141 0.086 1.00 0.00 C ATOM 68 CG TYR C 5 89.870 -13.581 -0.102 1.00 0.00 C ATOM 69 CD1 TYR C 5 90.988 -14.416 0.032 1.00 0.00 C ATOM 70 CD2 TYR C 5 90.045 -12.226 -0.411 1.00 0.00 C ATOM 71 CE1 TYR C 5 92.275 -13.901 -0.143 1.00 0.00 C ATOM 72 CE2 TYR C 5 91.335 -11.709 -0.586 1.00 0.00 C ATOM 73 CZ TYR C 5 92.451 -12.547 -0.454 1.00 0.00 C ATOM 74 OH TYR C 5 93.722 -12.038 -0.626 1.00 0.00 O ATOM 0 HA TYR C 5 89.182 -14.930 1.956 1.00 0.00 H new ATOM 0 HB2 TYR C 5 88.107 -14.548 -0.855 1.00 0.00 H new ATOM 0 HB3 TYR C 5 87.791 -13.347 0.382 1.00 0.00 H new ATOM 0 HD1 TYR C 5 90.854 -15.461 0.271 1.00 0.00 H new ATOM 0 HD2 TYR C 5 89.186 -11.580 -0.514 1.00 0.00 H new ATOM 0 HE1 TYR C 5 93.134 -14.547 -0.038 1.00 0.00 H new ATOM 0 HE2 TYR C 5 91.470 -10.664 -0.823 1.00 0.00 H new ATOM 0 HH TYR C 5 93.666 -11.083 -0.838 1.00 0.00 H new ATOM 84 N LYS C 6 86.344 -16.324 1.114 1.00 0.00 N ATOM 85 CA LYS C 6 84.991 -16.596 1.589 1.00 0.00 C ATOM 86 C LYS C 6 85.012 -16.820 3.096 1.00 0.00 C ATOM 87 O LYS C 6 84.016 -16.608 3.787 1.00 0.00 O ATOM 88 CB LYS C 6 84.417 -17.837 0.903 1.00 0.00 C ATOM 89 CG LYS C 6 83.811 -17.440 -0.446 1.00 0.00 C ATOM 90 CD LYS C 6 82.453 -16.773 -0.220 1.00 0.00 C ATOM 91 CE LYS C 6 81.769 -16.537 -1.568 1.00 0.00 C ATOM 92 NZ LYS C 6 80.549 -17.389 -1.663 1.00 0.00 N ATOM 0 H LYS C 6 86.630 -16.866 0.299 1.00 0.00 H new ATOM 0 HA LYS C 6 84.362 -15.738 1.350 1.00 0.00 H new ATOM 0 HB2 LYS C 6 85.201 -18.580 0.757 1.00 0.00 H new ATOM 0 HB3 LYS C 6 83.656 -18.296 1.535 1.00 0.00 H new ATOM 0 HG2 LYS C 6 84.480 -16.758 -0.970 1.00 0.00 H new ATOM 0 HG3 LYS C 6 83.695 -18.321 -1.078 1.00 0.00 H new ATOM 0 HD2 LYS C 6 81.827 -17.403 0.412 1.00 0.00 H new ATOM 0 HD3 LYS C 6 82.584 -15.826 0.304 1.00 0.00 H new ATOM 0 HE2 LYS C 6 81.500 -15.486 -1.672 1.00 0.00 H new ATOM 0 HE3 LYS C 6 82.455 -16.773 -2.382 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 80.084 -17.229 -2.579 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 80.818 -18.390 -1.582 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 79.893 -17.143 -0.894 1.00 0.00 H new ATOM 106 N ALA C 7 86.170 -17.245 3.595 1.00 0.00 N ATOM 107 CA ALA C 7 86.333 -17.490 5.024 1.00 0.00 C ATOM 108 C ALA C 7 86.590 -16.175 5.751 1.00 0.00 C ATOM 109 O ALA C 7 85.972 -15.880 6.774 1.00 0.00 O ATOM 110 CB ALA C 7 87.508 -18.437 5.275 1.00 0.00 C ATOM 0 H ALA C 7 87.003 -17.426 3.035 1.00 0.00 H new ATOM 0 HA ALA C 7 85.417 -17.947 5.400 1.00 0.00 H new ATOM 0 HB1 ALA C 7 87.615 -18.608 6.346 1.00 0.00 H new ATOM 0 HB2 ALA C 7 87.324 -19.386 4.772 1.00 0.00 H new ATOM 0 HB3 ALA C 7 88.424 -17.992 4.886 1.00 0.00 H new ATOM 116 N ALA C 8 87.509 -15.383 5.202 1.00 0.00 N ATOM 117 CA ALA C 8 87.842 -14.093 5.797 1.00 0.00 C ATOM 118 C ALA C 8 86.602 -13.208 5.847 1.00 0.00 C ATOM 119 O ALA C 8 86.393 -12.459 6.801 1.00 0.00 O ATOM 120 CB ALA C 8 88.928 -13.389 4.981 1.00 0.00 C ATOM 0 H ALA C 8 88.031 -15.609 4.355 1.00 0.00 H new ATOM 0 HA ALA C 8 88.211 -14.267 6.808 1.00 0.00 H new ATOM 0 HB1 ALA C 8 89.163 -12.429 5.440 1.00 0.00 H new ATOM 0 HB2 ALA C 8 89.824 -14.009 4.957 1.00 0.00 H new ATOM 0 HB3 ALA C 8 88.571 -13.227 3.964 1.00 0.00 H new ATOM 126 N VAL C 9 85.780 -13.310 4.806 1.00 0.00 N ATOM 127 CA VAL C 9 84.553 -12.522 4.734 1.00 0.00 C ATOM 128 C VAL C 9 83.522 -13.070 5.715 1.00 0.00 C ATOM 129 O VAL C 9 82.587 -12.374 6.113 1.00 0.00 O ATOM 130 CB VAL C 9 83.972 -12.568 3.317 1.00 0.00 C ATOM 131 CG1 VAL C 9 82.546 -12.012 3.324 1.00 0.00 C ATOM 132 CG2 VAL C 9 84.842 -11.723 2.383 1.00 0.00 C ATOM 0 H VAL C 9 85.939 -13.925 4.008 1.00 0.00 H new ATOM 0 HA VAL C 9 84.792 -11.490 4.992 1.00 0.00 H new ATOM 0 HB VAL C 9 83.955 -13.601 2.968 1.00 0.00 H new ATOM 0 HG11 VAL C 9 82.137 -12.047 2.314 1.00 0.00 H new ATOM 0 HG12 VAL C 9 81.925 -12.613 3.988 1.00 0.00 H new ATOM 0 HG13 VAL C 9 82.560 -10.980 3.675 1.00 0.00 H new ATOM 0 HG21 VAL C 9 84.430 -11.755 1.374 1.00 0.00 H new ATOM 0 HG22 VAL C 9 84.859 -10.692 2.736 1.00 0.00 H new ATOM 0 HG23 VAL C 9 85.857 -12.120 2.373 1.00 0.00 H new ATOM 142 N GLU C 10 83.705 -14.328 6.100 1.00 0.00 N ATOM 143 CA GLU C 10 82.789 -14.969 7.036 1.00 0.00 C ATOM 144 C GLU C 10 83.170 -14.610 8.467 1.00 0.00 C ATOM 145 O GLU C 10 82.326 -14.208 9.268 1.00 0.00 O ATOM 146 CB GLU C 10 82.828 -16.487 6.862 1.00 0.00 C ATOM 147 CG GLU C 10 81.903 -16.886 5.711 1.00 0.00 C ATOM 148 CD GLU C 10 80.474 -17.012 6.228 1.00 0.00 C ATOM 149 OE1 GLU C 10 80.252 -17.833 7.103 1.00 0.00 O ATOM 150 OE2 GLU C 10 79.624 -16.284 5.744 1.00 0.00 O ATOM 0 H GLU C 10 84.472 -14.920 5.782 1.00 0.00 H new ATOM 0 HA GLU C 10 81.779 -14.614 6.831 1.00 0.00 H new ATOM 0 HB2 GLU C 10 83.847 -16.815 6.656 1.00 0.00 H new ATOM 0 HB3 GLU C 10 82.515 -16.979 7.783 1.00 0.00 H new ATOM 0 HG2 GLU C 10 81.950 -16.140 4.918 1.00 0.00 H new ATOM 0 HG3 GLU C 10 82.230 -17.832 5.279 1.00 0.00 H new ATOM 157 N GLN C 11 84.456 -14.744 8.773 1.00 0.00 N ATOM 158 CA GLN C 11 84.947 -14.414 10.107 1.00 0.00 C ATOM 159 C GLN C 11 84.326 -13.109 10.575 1.00 0.00 C ATOM 160 O GLN C 11 84.018 -12.929 11.753 1.00 0.00 O ATOM 161 CB GLN C 11 86.464 -14.241 10.086 1.00 0.00 C ATOM 162 CG GLN C 11 87.134 -15.592 9.829 1.00 0.00 C ATOM 163 CD GLN C 11 87.936 -16.004 11.058 1.00 0.00 C ATOM 164 OE1 GLN C 11 89.087 -15.598 11.221 1.00 0.00 O ATOM 165 NE2 GLN C 11 87.392 -16.793 11.943 1.00 0.00 N ATOM 0 H GLN C 11 85.170 -15.075 8.124 1.00 0.00 H new ATOM 0 HA GLN C 11 84.677 -15.226 10.782 1.00 0.00 H new ATOM 0 HB2 GLN C 11 86.748 -13.530 9.310 1.00 0.00 H new ATOM 0 HB3 GLN C 11 86.806 -13.830 11.036 1.00 0.00 H new ATOM 0 HG2 GLN C 11 86.380 -16.347 9.604 1.00 0.00 H new ATOM 0 HG3 GLN C 11 87.789 -15.526 8.960 1.00 0.00 H new ATOM 0 HE21 GLN C 11 86.439 -17.130 11.809 1.00 0.00 H new ATOM 0 HE22 GLN C 11 87.920 -17.073 12.769 1.00 0.00 H new ATOM 174 N LEU C 12 84.159 -12.196 9.626 1.00 0.00 N ATOM 175 CA LEU C 12 83.587 -10.892 9.923 1.00 0.00 C ATOM 176 C LEU C 12 82.196 -11.037 10.532 1.00 0.00 C ATOM 177 O LEU C 12 81.259 -11.493 9.877 1.00 0.00 O ATOM 178 CB LEU C 12 83.493 -10.055 8.646 1.00 0.00 C ATOM 179 CG LEU C 12 84.869 -9.979 7.973 1.00 0.00 C ATOM 180 CD1 LEU C 12 84.879 -8.832 6.962 1.00 0.00 C ATOM 181 CD2 LEU C 12 85.953 -9.733 9.030 1.00 0.00 C ATOM 0 H LEU C 12 84.411 -12.335 8.648 1.00 0.00 H new ATOM 0 HA LEU C 12 84.238 -10.393 10.641 1.00 0.00 H new ATOM 0 HB2 LEU C 12 82.768 -10.497 7.963 1.00 0.00 H new ATOM 0 HB3 LEU C 12 83.138 -9.052 8.883 1.00 0.00 H new ATOM 0 HG LEU C 12 85.070 -10.921 7.462 1.00 0.00 H new ATOM 0 HD11 LEU C 12 85.857 -8.777 6.483 1.00 0.00 H new ATOM 0 HD12 LEU C 12 84.114 -9.007 6.206 1.00 0.00 H new ATOM 0 HD13 LEU C 12 84.673 -7.893 7.475 1.00 0.00 H new ATOM 0 HD21 LEU C 12 86.928 -9.680 8.546 1.00 0.00 H new ATOM 0 HD22 LEU C 12 85.752 -8.794 9.545 1.00 0.00 H new ATOM 0 HD23 LEU C 12 85.950 -10.550 9.751 1.00 0.00 H new ATOM 193 N THR C 13 82.074 -10.638 11.795 1.00 0.00 N ATOM 194 CA THR C 13 80.793 -10.721 12.490 1.00 0.00 C ATOM 195 C THR C 13 79.913 -9.533 12.117 1.00 0.00 C ATOM 196 O THR C 13 80.351 -8.606 11.436 1.00 0.00 O ATOM 197 CB THR C 13 81.005 -10.728 14.005 1.00 0.00 C ATOM 198 OG1 THR C 13 81.945 -9.722 14.353 1.00 0.00 O ATOM 199 CG2 THR C 13 81.531 -12.095 14.444 1.00 0.00 C ATOM 0 H THR C 13 82.838 -10.258 12.353 1.00 0.00 H new ATOM 0 HA THR C 13 80.304 -11.648 12.190 1.00 0.00 H new ATOM 0 HB THR C 13 80.057 -10.530 14.506 1.00 0.00 H new ATOM 0 HG1 THR C 13 82.214 -9.835 15.289 1.00 0.00 H new ATOM 0 HG21 THR C 13 81.681 -12.097 15.524 1.00 0.00 H new ATOM 0 HG22 THR C 13 80.808 -12.866 14.176 1.00 0.00 H new ATOM 0 HG23 THR C 13 82.479 -12.297 13.945 1.00 0.00 H new ATOM 207 N GLU C 14 78.665 -9.573 12.571 1.00 0.00 N ATOM 208 CA GLU C 14 77.725 -8.495 12.281 1.00 0.00 C ATOM 209 C GLU C 14 78.290 -7.154 12.742 1.00 0.00 C ATOM 210 O GLU C 14 77.836 -6.093 12.312 1.00 0.00 O ATOM 211 CB GLU C 14 76.394 -8.745 12.989 1.00 0.00 C ATOM 212 CG GLU C 14 76.634 -8.886 14.493 1.00 0.00 C ATOM 213 CD GLU C 14 75.295 -8.905 15.223 1.00 0.00 C ATOM 214 OE1 GLU C 14 74.414 -9.625 14.784 1.00 0.00 O ATOM 215 OE2 GLU C 14 75.171 -8.199 16.211 1.00 0.00 O ATOM 0 H GLU C 14 78.283 -10.332 13.136 1.00 0.00 H new ATOM 0 HA GLU C 14 77.565 -8.468 11.203 1.00 0.00 H new ATOM 0 HB2 GLU C 14 75.707 -7.921 12.795 1.00 0.00 H new ATOM 0 HB3 GLU C 14 75.926 -9.649 12.598 1.00 0.00 H new ATOM 0 HG2 GLU C 14 77.186 -9.803 14.699 1.00 0.00 H new ATOM 0 HG3 GLU C 14 77.245 -8.058 14.854 1.00 0.00 H new ATOM 222 N GLU C 15 79.284 -7.215 13.623 1.00 0.00 N ATOM 223 CA GLU C 15 79.905 -5.998 14.140 1.00 0.00 C ATOM 224 C GLU C 15 80.705 -5.300 13.046 1.00 0.00 C ATOM 225 O GLU C 15 80.307 -4.250 12.542 1.00 0.00 O ATOM 226 CB GLU C 15 80.835 -6.326 15.308 1.00 0.00 C ATOM 227 CG GLU C 15 80.085 -7.186 16.327 1.00 0.00 C ATOM 228 CD GLU C 15 81.082 -8.017 17.128 1.00 0.00 C ATOM 229 OE1 GLU C 15 82.241 -8.042 16.750 1.00 0.00 O ATOM 230 OE2 GLU C 15 80.670 -8.617 18.107 1.00 0.00 O ATOM 0 H GLU C 15 79.674 -8.083 13.991 1.00 0.00 H new ATOM 0 HA GLU C 15 79.111 -5.336 14.485 1.00 0.00 H new ATOM 0 HB2 GLU C 15 81.717 -6.855 14.948 1.00 0.00 H new ATOM 0 HB3 GLU C 15 81.185 -5.407 15.778 1.00 0.00 H new ATOM 0 HG2 GLU C 15 79.505 -6.551 16.997 1.00 0.00 H new ATOM 0 HG3 GLU C 15 79.379 -7.840 15.816 1.00 0.00 H new ATOM 237 N GLN C 16 81.840 -5.892 12.683 1.00 0.00 N ATOM 238 CA GLN C 16 82.686 -5.310 11.645 1.00 0.00 C ATOM 239 C GLN C 16 81.888 -5.128 10.355 1.00 0.00 C ATOM 240 O GLN C 16 82.143 -4.213 9.572 1.00 0.00 O ATOM 241 CB GLN C 16 83.908 -6.201 11.377 1.00 0.00 C ATOM 242 CG GLN C 16 83.544 -7.313 10.390 1.00 0.00 C ATOM 243 CD GLN C 16 83.790 -6.826 8.965 1.00 0.00 C ATOM 244 OE1 GLN C 16 82.950 -7.014 8.085 1.00 0.00 O ATOM 245 NE2 GLN C 16 84.902 -6.205 8.681 1.00 0.00 N ATOM 0 H GLN C 16 82.191 -6.761 13.085 1.00 0.00 H new ATOM 0 HA GLN C 16 83.032 -4.337 11.994 1.00 0.00 H new ATOM 0 HB2 GLN C 16 84.724 -5.601 10.975 1.00 0.00 H new ATOM 0 HB3 GLN C 16 84.262 -6.636 12.312 1.00 0.00 H new ATOM 0 HG2 GLN C 16 84.142 -8.202 10.590 1.00 0.00 H new ATOM 0 HG3 GLN C 16 82.499 -7.597 10.514 1.00 0.00 H new ATOM 0 HE21 GLN C 16 85.599 -6.048 9.409 1.00 0.00 H new ATOM 0 HE22 GLN C 16 85.074 -5.876 7.731 1.00 0.00 H new ATOM 254 N LYS C 17 80.921 -6.017 10.145 1.00 0.00 N ATOM 255 CA LYS C 17 80.085 -5.953 8.949 1.00 0.00 C ATOM 256 C LYS C 17 79.173 -4.733 9.010 1.00 0.00 C ATOM 257 O LYS C 17 79.013 -4.008 8.028 1.00 0.00 O ATOM 258 CB LYS C 17 79.226 -7.214 8.829 1.00 0.00 C ATOM 259 CG LYS C 17 79.353 -7.790 7.416 1.00 0.00 C ATOM 260 CD LYS C 17 80.352 -8.949 7.426 1.00 0.00 C ATOM 261 CE LYS C 17 79.600 -10.275 7.288 1.00 0.00 C ATOM 262 NZ LYS C 17 79.433 -10.604 5.844 1.00 0.00 N ATOM 0 H LYS C 17 80.698 -6.783 10.780 1.00 0.00 H new ATOM 0 HA LYS C 17 80.739 -5.878 8.080 1.00 0.00 H new ATOM 0 HB2 LYS C 17 79.544 -7.954 9.564 1.00 0.00 H new ATOM 0 HB3 LYS C 17 78.184 -6.978 9.044 1.00 0.00 H new ATOM 0 HG2 LYS C 17 78.381 -8.136 7.064 1.00 0.00 H new ATOM 0 HG3 LYS C 17 79.685 -7.016 6.724 1.00 0.00 H new ATOM 0 HD2 LYS C 17 81.064 -8.836 6.608 1.00 0.00 H new ATOM 0 HD3 LYS C 17 80.926 -8.940 8.352 1.00 0.00 H new ATOM 0 HE2 LYS C 17 80.149 -11.071 7.792 1.00 0.00 H new ATOM 0 HE3 LYS C 17 78.625 -10.205 7.771 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 78.922 -11.505 5.750 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 78.892 -9.849 5.376 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 80.368 -10.688 5.397 1.00 0.00 H new ATOM 276 N ASN C 18 78.580 -4.512 10.180 1.00 0.00 N ATOM 277 CA ASN C 18 77.686 -3.374 10.368 1.00 0.00 C ATOM 278 C ASN C 18 78.429 -2.071 10.090 1.00 0.00 C ATOM 279 O ASN C 18 78.067 -1.313 9.190 1.00 0.00 O ATOM 280 CB ASN C 18 77.146 -3.348 11.799 1.00 0.00 C ATOM 281 CG ASN C 18 75.908 -4.234 11.895 1.00 0.00 C ATOM 282 OD1 ASN C 18 75.064 -4.232 10.999 1.00 0.00 O ATOM 283 ND2 ASN C 18 75.746 -4.999 12.941 1.00 0.00 N ATOM 0 H ASN C 18 78.701 -5.100 11.005 1.00 0.00 H new ATOM 0 HA ASN C 18 76.854 -3.476 9.672 1.00 0.00 H new ATOM 0 HB2 ASN C 18 77.910 -3.697 12.493 1.00 0.00 H new ATOM 0 HB3 ASN C 18 76.898 -2.326 12.086 1.00 0.00 H new ATOM 0 HD21 ASN C 18 74.921 -5.594 13.015 1.00 0.00 H new ATOM 0 HD22 ASN C 18 76.445 -5.002 13.684 1.00 0.00 H new ATOM 290 N GLU C 19 79.476 -1.821 10.872 1.00 0.00 N ATOM 291 CA GLU C 19 80.269 -0.608 10.698 1.00 0.00 C ATOM 292 C GLU C 19 80.627 -0.422 9.228 1.00 0.00 C ATOM 293 O GLU C 19 80.769 0.700 8.744 1.00 0.00 O ATOM 294 CB GLU C 19 81.558 -0.680 11.522 1.00 0.00 C ATOM 295 CG GLU C 19 82.113 -2.106 11.485 1.00 0.00 C ATOM 296 CD GLU C 19 83.518 -2.092 10.893 1.00 0.00 C ATOM 297 OE1 GLU C 19 83.638 -1.840 9.705 1.00 0.00 O ATOM 298 OE2 GLU C 19 84.455 -2.333 11.637 1.00 0.00 O ATOM 0 H GLU C 19 79.792 -2.434 11.623 1.00 0.00 H new ATOM 0 HA GLU C 19 79.673 0.237 11.041 1.00 0.00 H new ATOM 0 HB2 GLU C 19 82.295 0.018 11.125 1.00 0.00 H new ATOM 0 HB3 GLU C 19 81.360 -0.383 12.552 1.00 0.00 H new ATOM 0 HG2 GLU C 19 82.135 -2.525 12.491 1.00 0.00 H new ATOM 0 HG3 GLU C 19 81.462 -2.745 10.888 1.00 0.00 H new ATOM 305 N PHE C 20 80.765 -1.542 8.522 1.00 0.00 N ATOM 306 CA PHE C 20 81.101 -1.499 7.102 1.00 0.00 C ATOM 307 C PHE C 20 79.858 -1.175 6.278 1.00 0.00 C ATOM 308 O PHE C 20 79.820 -0.184 5.548 1.00 0.00 O ATOM 309 CB PHE C 20 81.669 -2.845 6.644 1.00 0.00 C ATOM 310 CG PHE C 20 83.043 -2.643 6.045 1.00 0.00 C ATOM 311 CD1 PHE C 20 83.328 -1.479 5.320 1.00 0.00 C ATOM 312 CD2 PHE C 20 84.031 -3.621 6.214 1.00 0.00 C ATOM 313 CE1 PHE C 20 84.599 -1.293 4.765 1.00 0.00 C ATOM 314 CE2 PHE C 20 85.303 -3.434 5.658 1.00 0.00 C ATOM 315 CZ PHE C 20 85.587 -2.270 4.934 1.00 0.00 C ATOM 0 H PHE C 20 80.651 -2.480 8.905 1.00 0.00 H new ATOM 0 HA PHE C 20 81.852 -0.723 6.953 1.00 0.00 H new ATOM 0 HB2 PHE C 20 81.728 -3.532 7.488 1.00 0.00 H new ATOM 0 HB3 PHE C 20 81.005 -3.299 5.909 1.00 0.00 H new ATOM 0 HD1 PHE C 20 82.566 -0.725 5.189 1.00 0.00 H new ATOM 0 HD2 PHE C 20 83.812 -4.519 6.773 1.00 0.00 H new ATOM 0 HE1 PHE C 20 84.818 -0.395 4.206 1.00 0.00 H new ATOM 0 HE2 PHE C 20 86.065 -4.188 5.788 1.00 0.00 H new ATOM 0 HZ PHE C 20 86.568 -2.126 4.506 1.00 0.00 H new ATOM 325 N LYS C 21 78.840 -2.023 6.407 1.00 0.00 N ATOM 326 CA LYS C 21 77.594 -1.819 5.672 1.00 0.00 C ATOM 327 C LYS C 21 77.184 -0.352 5.729 1.00 0.00 C ATOM 328 O LYS C 21 76.800 0.242 4.722 1.00 0.00 O ATOM 329 CB LYS C 21 76.473 -2.673 6.267 1.00 0.00 C ATOM 330 CG LYS C 21 76.859 -4.151 6.182 1.00 0.00 C ATOM 331 CD LYS C 21 75.655 -4.966 5.709 1.00 0.00 C ATOM 332 CE LYS C 21 76.030 -5.744 4.446 1.00 0.00 C ATOM 333 NZ LYS C 21 76.721 -7.007 4.830 1.00 0.00 N ATOM 0 H LYS C 21 78.852 -2.848 7.006 1.00 0.00 H new ATOM 0 HA LYS C 21 77.760 -2.114 4.636 1.00 0.00 H new ATOM 0 HB2 LYS C 21 76.298 -2.391 7.305 1.00 0.00 H new ATOM 0 HB3 LYS C 21 75.542 -2.497 5.728 1.00 0.00 H new ATOM 0 HG2 LYS C 21 77.693 -4.281 5.492 1.00 0.00 H new ATOM 0 HG3 LYS C 21 77.193 -4.507 7.157 1.00 0.00 H new ATOM 0 HD2 LYS C 21 75.338 -5.654 6.492 1.00 0.00 H new ATOM 0 HD3 LYS C 21 74.812 -4.305 5.505 1.00 0.00 H new ATOM 0 HE2 LYS C 21 75.136 -5.968 3.865 1.00 0.00 H new ATOM 0 HE3 LYS C 21 76.679 -5.140 3.812 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 76.977 -7.537 3.973 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 77.582 -6.782 5.368 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 76.087 -7.585 5.418 1.00 0.00 H new ATOM 347 N ALA C 22 77.277 0.229 6.920 1.00 0.00 N ATOM 348 CA ALA C 22 76.921 1.632 7.094 1.00 0.00 C ATOM 349 C ALA C 22 77.617 2.476 6.034 1.00 0.00 C ATOM 350 O ALA C 22 76.984 3.258 5.326 1.00 0.00 O ATOM 351 CB ALA C 22 77.339 2.124 8.481 1.00 0.00 C ATOM 0 H ALA C 22 77.591 -0.242 7.768 1.00 0.00 H new ATOM 0 HA ALA C 22 75.840 1.728 6.993 1.00 0.00 H new ATOM 0 HB1 ALA C 22 77.065 3.173 8.593 1.00 0.00 H new ATOM 0 HB2 ALA C 22 76.832 1.534 9.244 1.00 0.00 H new ATOM 0 HB3 ALA C 22 78.418 2.016 8.595 1.00 0.00 H new ATOM 357 N ALA C 23 78.931 2.302 5.931 1.00 0.00 N ATOM 358 CA ALA C 23 79.713 3.048 4.952 1.00 0.00 C ATOM 359 C ALA C 23 79.274 2.694 3.536 1.00 0.00 C ATOM 360 O ALA C 23 79.508 3.448 2.592 1.00 0.00 O ATOM 361 CB ALA C 23 81.202 2.740 5.105 1.00 0.00 C ATOM 0 H ALA C 23 79.472 1.657 6.507 1.00 0.00 H new ATOM 0 HA ALA C 23 79.544 4.110 5.129 1.00 0.00 H new ATOM 0 HB1 ALA C 23 81.769 3.306 4.366 1.00 0.00 H new ATOM 0 HB2 ALA C 23 81.530 3.020 6.106 1.00 0.00 H new ATOM 0 HB3 ALA C 23 81.371 1.674 4.953 1.00 0.00 H new ATOM 367 N PHE C 24 78.627 1.540 3.399 1.00 0.00 N ATOM 368 CA PHE C 24 78.154 1.102 2.091 1.00 0.00 C ATOM 369 C PHE C 24 77.020 2.003 1.616 1.00 0.00 C ATOM 370 O PHE C 24 76.858 2.246 0.419 1.00 0.00 O ATOM 371 CB PHE C 24 77.656 -0.343 2.151 1.00 0.00 C ATOM 372 CG PHE C 24 78.466 -1.188 1.201 1.00 0.00 C ATOM 373 CD1 PHE C 24 78.565 -0.828 -0.147 1.00 0.00 C ATOM 374 CD2 PHE C 24 79.121 -2.331 1.671 1.00 0.00 C ATOM 375 CE1 PHE C 24 79.320 -1.612 -1.027 1.00 0.00 C ATOM 376 CE2 PHE C 24 79.875 -3.115 0.793 1.00 0.00 C ATOM 377 CZ PHE C 24 79.976 -2.756 -0.556 1.00 0.00 C ATOM 0 H PHE C 24 78.421 0.900 4.166 1.00 0.00 H new ATOM 0 HA PHE C 24 78.988 1.162 1.392 1.00 0.00 H new ATOM 0 HB2 PHE C 24 77.746 -0.729 3.166 1.00 0.00 H new ATOM 0 HB3 PHE C 24 76.600 -0.387 1.885 1.00 0.00 H new ATOM 0 HD1 PHE C 24 78.059 0.055 -0.509 1.00 0.00 H new ATOM 0 HD2 PHE C 24 79.044 -2.608 2.712 1.00 0.00 H new ATOM 0 HE1 PHE C 24 79.397 -1.335 -2.068 1.00 0.00 H new ATOM 0 HE2 PHE C 24 80.380 -3.998 1.156 1.00 0.00 H new ATOM 0 HZ PHE C 24 80.560 -3.361 -1.234 1.00 0.00 H new ATOM 387 N ASP C 25 76.240 2.503 2.571 1.00 0.00 N ATOM 388 CA ASP C 25 75.125 3.386 2.244 1.00 0.00 C ATOM 389 C ASP C 25 75.631 4.797 1.958 1.00 0.00 C ATOM 390 O ASP C 25 74.853 5.697 1.641 1.00 0.00 O ATOM 391 CB ASP C 25 74.124 3.442 3.398 1.00 0.00 C ATOM 392 CG ASP C 25 72.786 2.875 2.935 1.00 0.00 C ATOM 393 OD1 ASP C 25 72.523 2.928 1.745 1.00 0.00 O ATOM 394 OD2 ASP C 25 72.045 2.395 3.777 1.00 0.00 O ATOM 0 H ASP C 25 76.357 2.314 3.567 1.00 0.00 H new ATOM 0 HA ASP C 25 74.631 2.987 1.358 1.00 0.00 H new ATOM 0 HB2 ASP C 25 74.499 2.871 4.247 1.00 0.00 H new ATOM 0 HB3 ASP C 25 73.998 4.471 3.736 1.00 0.00 H new ATOM 399 N ILE C 26 76.945 4.980 2.061 1.00 0.00 N ATOM 400 CA ILE C 26 77.541 6.286 1.799 1.00 0.00 C ATOM 401 C ILE C 26 78.275 6.254 0.464 1.00 0.00 C ATOM 402 O ILE C 26 78.232 7.209 -0.310 1.00 0.00 O ATOM 403 CB ILE C 26 78.522 6.698 2.903 1.00 0.00 C ATOM 404 CG1 ILE C 26 78.329 5.819 4.142 1.00 0.00 C ATOM 405 CG2 ILE C 26 78.267 8.158 3.279 1.00 0.00 C ATOM 406 CD1 ILE C 26 77.016 6.179 4.838 1.00 0.00 C ATOM 0 H ILE C 26 77.609 4.251 2.320 1.00 0.00 H new ATOM 0 HA ILE C 26 76.734 7.018 1.772 1.00 0.00 H new ATOM 0 HB ILE C 26 79.541 6.575 2.537 1.00 0.00 H new ATOM 0 HG12 ILE C 26 78.322 4.768 3.855 1.00 0.00 H new ATOM 0 HG13 ILE C 26 79.164 5.956 4.829 1.00 0.00 H new ATOM 0 HG21 ILE C 26 78.961 8.458 4.064 1.00 0.00 H new ATOM 0 HG22 ILE C 26 78.414 8.790 2.403 1.00 0.00 H new ATOM 0 HG23 ILE C 26 77.244 8.268 3.638 1.00 0.00 H new ATOM 0 HD11 ILE C 26 76.886 5.549 5.718 1.00 0.00 H new ATOM 0 HD12 ILE C 26 77.040 7.226 5.141 1.00 0.00 H new ATOM 0 HD13 ILE C 26 76.185 6.019 4.152 1.00 0.00 H new ATOM 418 N PHE C 27 78.938 5.130 0.198 1.00 0.00 N ATOM 419 CA PHE C 27 79.666 4.967 -1.056 1.00 0.00 C ATOM 420 C PHE C 27 78.683 4.975 -2.218 1.00 0.00 C ATOM 421 O PHE C 27 79.029 5.313 -3.350 1.00 0.00 O ATOM 422 CB PHE C 27 80.435 3.644 -1.065 1.00 0.00 C ATOM 423 CG PHE C 27 81.746 3.814 -0.338 1.00 0.00 C ATOM 424 CD1 PHE C 27 81.767 4.363 0.949 1.00 0.00 C ATOM 425 CD2 PHE C 27 82.942 3.421 -0.951 1.00 0.00 C ATOM 426 CE1 PHE C 27 82.984 4.520 1.623 1.00 0.00 C ATOM 427 CE2 PHE C 27 84.159 3.578 -0.277 1.00 0.00 C ATOM 428 CZ PHE C 27 84.180 4.127 1.010 1.00 0.00 C ATOM 0 H PHE C 27 78.986 4.328 0.827 1.00 0.00 H new ATOM 0 HA PHE C 27 80.373 5.790 -1.155 1.00 0.00 H new ATOM 0 HB2 PHE C 27 79.842 2.864 -0.588 1.00 0.00 H new ATOM 0 HB3 PHE C 27 80.616 3.324 -2.091 1.00 0.00 H new ATOM 0 HD1 PHE C 27 80.845 4.666 1.422 1.00 0.00 H new ATOM 0 HD2 PHE C 27 82.926 2.997 -1.944 1.00 0.00 H new ATOM 0 HE1 PHE C 27 83.000 4.944 2.616 1.00 0.00 H new ATOM 0 HE2 PHE C 27 85.081 3.275 -0.750 1.00 0.00 H new ATOM 0 HZ PHE C 27 85.119 4.248 1.530 1.00 0.00 H new ATOM 438 N VAL C 28 77.444 4.600 -1.912 1.00 0.00 N ATOM 439 CA VAL C 28 76.390 4.562 -2.919 1.00 0.00 C ATOM 440 C VAL C 28 75.104 5.147 -2.346 1.00 0.00 C ATOM 441 O VAL C 28 74.010 4.634 -2.582 1.00 0.00 O ATOM 442 CB VAL C 28 76.126 3.122 -3.363 1.00 0.00 C ATOM 443 CG1 VAL C 28 77.425 2.495 -3.873 1.00 0.00 C ATOM 444 CG2 VAL C 28 75.604 2.314 -2.173 1.00 0.00 C ATOM 0 H VAL C 28 77.147 4.319 -0.978 1.00 0.00 H new ATOM 0 HA VAL C 28 76.714 5.150 -3.778 1.00 0.00 H new ATOM 0 HB VAL C 28 75.385 3.118 -4.163 1.00 0.00 H new ATOM 0 HG11 VAL C 28 77.234 1.469 -4.189 1.00 0.00 H new ATOM 0 HG12 VAL C 28 77.800 3.071 -4.719 1.00 0.00 H new ATOM 0 HG13 VAL C 28 78.168 2.497 -3.075 1.00 0.00 H new ATOM 0 HG21 VAL C 28 75.415 1.287 -2.485 1.00 0.00 H new ATOM 0 HG22 VAL C 28 76.347 2.319 -1.376 1.00 0.00 H new ATOM 0 HG23 VAL C 28 74.678 2.759 -1.809 1.00 0.00 H new ATOM 454 N LEU C 29 75.252 6.227 -1.581 1.00 0.00 N ATOM 455 CA LEU C 29 74.098 6.878 -0.965 1.00 0.00 C ATOM 456 C LEU C 29 73.205 7.518 -2.029 1.00 0.00 C ATOM 457 O LEU C 29 72.105 7.987 -1.737 1.00 0.00 O ATOM 458 CB LEU C 29 74.562 7.942 0.046 1.00 0.00 C ATOM 459 CG LEU C 29 74.809 9.280 -0.659 1.00 0.00 C ATOM 460 CD1 LEU C 29 73.538 10.130 -0.596 1.00 0.00 C ATOM 461 CD2 LEU C 29 75.952 10.021 0.039 1.00 0.00 C ATOM 0 H LEU C 29 76.149 6.666 -1.374 1.00 0.00 H new ATOM 0 HA LEU C 29 73.518 6.119 -0.439 1.00 0.00 H new ATOM 0 HB2 LEU C 29 73.808 8.067 0.823 1.00 0.00 H new ATOM 0 HB3 LEU C 29 75.476 7.610 0.539 1.00 0.00 H new ATOM 0 HG LEU C 29 75.075 9.099 -1.700 1.00 0.00 H new ATOM 0 HD11 LEU C 29 73.712 11.082 -1.097 1.00 0.00 H new ATOM 0 HD12 LEU C 29 72.723 9.603 -1.092 1.00 0.00 H new ATOM 0 HD13 LEU C 29 73.273 10.311 0.446 1.00 0.00 H new ATOM 0 HD21 LEU C 29 76.128 10.973 -0.462 1.00 0.00 H new ATOM 0 HD22 LEU C 29 75.686 10.203 1.080 1.00 0.00 H new ATOM 0 HD23 LEU C 29 76.857 9.416 -0.003 1.00 0.00 H new ATOM 473 N GLY C 30 73.694 7.531 -3.265 1.00 0.00 N ATOM 474 CA GLY C 30 72.938 8.114 -4.369 1.00 0.00 C ATOM 475 C GLY C 30 72.679 7.077 -5.458 1.00 0.00 C ATOM 476 O GLY C 30 71.672 7.135 -6.164 1.00 0.00 O ATOM 0 H GLY C 30 74.603 7.148 -3.527 1.00 0.00 H new ATOM 0 HA2 GLY C 30 71.990 8.504 -4.000 1.00 0.00 H new ATOM 0 HA3 GLY C 30 73.488 8.957 -4.787 1.00 0.00 H new ATOM 480 N ALA C 31 73.602 6.127 -5.587 1.00 0.00 N ATOM 481 CA ALA C 31 73.467 5.078 -6.596 1.00 0.00 C ATOM 482 C ALA C 31 72.181 4.289 -6.377 1.00 0.00 C ATOM 483 O ALA C 31 71.461 4.500 -5.402 1.00 0.00 O ATOM 484 CB ALA C 31 74.654 4.114 -6.534 1.00 0.00 C ATOM 0 H ALA C 31 74.443 6.061 -5.013 1.00 0.00 H new ATOM 0 HA ALA C 31 73.440 5.559 -7.574 1.00 0.00 H new ATOM 0 HB1 ALA C 31 74.535 3.341 -7.293 1.00 0.00 H new ATOM 0 HB2 ALA C 31 75.578 4.662 -6.717 1.00 0.00 H new ATOM 0 HB3 ALA C 31 74.696 3.651 -5.548 1.00 0.00 H new ATOM 490 N GLU C 32 71.906 3.372 -7.299 1.00 0.00 N ATOM 491 CA GLU C 32 70.708 2.546 -7.206 1.00 0.00 C ATOM 492 C GLU C 32 71.015 1.257 -6.451 1.00 0.00 C ATOM 493 O GLU C 32 70.685 1.116 -5.274 1.00 0.00 O ATOM 494 CB GLU C 32 70.190 2.199 -8.601 1.00 0.00 C ATOM 495 CG GLU C 32 68.740 2.665 -8.738 1.00 0.00 C ATOM 496 CD GLU C 32 67.802 1.483 -8.516 1.00 0.00 C ATOM 497 OE1 GLU C 32 68.100 0.671 -7.656 1.00 0.00 O ATOM 498 OE2 GLU C 32 66.800 1.409 -9.208 1.00 0.00 O ATOM 0 H GLU C 32 72.491 3.183 -8.113 1.00 0.00 H new ATOM 0 HA GLU C 32 69.945 3.110 -6.669 1.00 0.00 H new ATOM 0 HB2 GLU C 32 70.810 2.677 -9.360 1.00 0.00 H new ATOM 0 HB3 GLU C 32 70.255 1.124 -8.767 1.00 0.00 H new ATOM 0 HG2 GLU C 32 68.530 3.451 -8.013 1.00 0.00 H new ATOM 0 HG3 GLU C 32 68.576 3.092 -9.727 1.00 0.00 H new ATOM 505 N ASP C 33 71.654 0.317 -7.144 1.00 0.00 N ATOM 506 CA ASP C 33 72.004 -0.961 -6.524 1.00 0.00 C ATOM 507 C ASP C 33 72.993 -0.747 -5.378 1.00 0.00 C ATOM 508 O ASP C 33 72.596 -0.564 -4.227 1.00 0.00 O ATOM 509 CB ASP C 33 72.615 -1.932 -7.546 1.00 0.00 C ATOM 510 CG ASP C 33 73.383 -1.160 -8.615 1.00 0.00 C ATOM 511 OD1 ASP C 33 72.786 -0.298 -9.240 1.00 0.00 O ATOM 512 OD2 ASP C 33 74.556 -1.442 -8.794 1.00 0.00 O ATOM 0 H ASP C 33 71.937 0.412 -8.119 1.00 0.00 H new ATOM 0 HA ASP C 33 71.083 -1.397 -6.136 1.00 0.00 H new ATOM 0 HB2 ASP C 33 73.283 -2.630 -7.041 1.00 0.00 H new ATOM 0 HB3 ASP C 33 71.827 -2.525 -8.011 1.00 0.00 H new ATOM 517 N GLY C 34 74.285 -0.772 -5.702 1.00 0.00 N ATOM 518 CA GLY C 34 75.317 -0.579 -4.687 1.00 0.00 C ATOM 519 C GLY C 34 76.703 -0.541 -5.322 1.00 0.00 C ATOM 520 O GLY C 34 77.634 -1.199 -4.856 1.00 0.00 O ATOM 0 H GLY C 34 74.638 -0.922 -6.647 1.00 0.00 H new ATOM 0 HA2 GLY C 34 75.134 0.351 -4.148 1.00 0.00 H new ATOM 0 HA3 GLY C 34 75.269 -1.386 -3.956 1.00 0.00 H new ATOM 524 N CYS C 35 76.831 0.240 -6.391 1.00 0.00 N ATOM 525 CA CYS C 35 78.110 0.363 -7.085 1.00 0.00 C ATOM 526 C CYS C 35 78.808 1.658 -6.681 1.00 0.00 C ATOM 527 O CYS C 35 78.164 2.683 -6.459 1.00 0.00 O ATOM 528 CB CYS C 35 77.903 0.359 -8.601 1.00 0.00 C ATOM 529 SG CYS C 35 77.291 -1.263 -9.121 1.00 0.00 S ATOM 0 H CYS C 35 76.073 0.792 -6.793 1.00 0.00 H new ATOM 0 HA CYS C 35 78.729 -0.489 -6.805 1.00 0.00 H new ATOM 0 HB2 CYS C 35 77.192 1.136 -8.884 1.00 0.00 H new ATOM 0 HB3 CYS C 35 78.841 0.585 -9.108 1.00 0.00 H new ATOM 0 HG CYS C 35 75.992 -1.246 -9.155 1.00 0.00 H new ATOM 535 N ILE C 36 80.133 1.598 -6.587 1.00 0.00 N ATOM 536 CA ILE C 36 80.913 2.772 -6.204 1.00 0.00 C ATOM 537 C ILE C 36 81.657 3.341 -7.407 1.00 0.00 C ATOM 538 O ILE C 36 82.530 2.690 -7.981 1.00 0.00 O ATOM 539 CB ILE C 36 81.930 2.412 -5.120 1.00 0.00 C ATOM 540 CG1 ILE C 36 81.280 1.466 -4.107 1.00 0.00 C ATOM 541 CG2 ILE C 36 82.389 3.685 -4.405 1.00 0.00 C ATOM 542 CD1 ILE C 36 82.368 0.748 -3.306 1.00 0.00 C ATOM 0 H ILE C 36 80.685 0.759 -6.768 1.00 0.00 H new ATOM 0 HA ILE C 36 80.219 3.519 -5.820 1.00 0.00 H new ATOM 0 HB ILE C 36 82.790 1.923 -5.577 1.00 0.00 H new ATOM 0 HG12 ILE C 36 80.630 2.027 -3.436 1.00 0.00 H new ATOM 0 HG13 ILE C 36 80.654 0.738 -4.623 1.00 0.00 H new ATOM 0 HG21 ILE C 36 83.114 3.427 -3.633 1.00 0.00 H new ATOM 0 HG22 ILE C 36 82.851 4.360 -5.125 1.00 0.00 H new ATOM 0 HG23 ILE C 36 81.530 4.175 -3.947 1.00 0.00 H new ATOM 0 HD11 ILE C 36 81.904 0.075 -2.585 1.00 0.00 H new ATOM 0 HD12 ILE C 36 83.000 0.174 -3.984 1.00 0.00 H new ATOM 0 HD13 ILE C 36 82.976 1.483 -2.778 1.00 0.00 H new ATOM 554 N SER C 37 81.306 4.569 -7.777 1.00 0.00 N ATOM 555 CA SER C 37 81.952 5.225 -8.910 1.00 0.00 C ATOM 556 C SER C 37 83.017 6.196 -8.413 1.00 0.00 C ATOM 557 O SER C 37 83.053 6.549 -7.234 1.00 0.00 O ATOM 558 CB SER C 37 80.926 5.992 -9.745 1.00 0.00 C ATOM 559 OG SER C 37 81.507 6.344 -10.994 1.00 0.00 O ATOM 0 H SER C 37 80.586 5.125 -7.315 1.00 0.00 H new ATOM 0 HA SER C 37 82.414 4.457 -9.530 1.00 0.00 H new ATOM 0 HB2 SER C 37 80.038 5.380 -9.903 1.00 0.00 H new ATOM 0 HB3 SER C 37 80.605 6.888 -9.214 1.00 0.00 H new ATOM 0 HG SER C 37 80.852 6.834 -11.533 1.00 0.00 H new ATOM 565 N THR C 38 83.885 6.624 -9.323 1.00 0.00 N ATOM 566 CA THR C 38 84.950 7.558 -8.961 1.00 0.00 C ATOM 567 C THR C 38 84.350 8.836 -8.387 1.00 0.00 C ATOM 568 O THR C 38 85.008 9.579 -7.659 1.00 0.00 O ATOM 569 CB THR C 38 85.805 7.915 -10.180 1.00 0.00 C ATOM 570 OG1 THR C 38 85.214 9.010 -10.866 1.00 0.00 O ATOM 571 CG2 THR C 38 85.894 6.712 -11.119 1.00 0.00 C ATOM 0 H THR C 38 83.875 6.345 -10.304 1.00 0.00 H new ATOM 0 HA THR C 38 85.580 7.074 -8.215 1.00 0.00 H new ATOM 0 HB THR C 38 86.808 8.188 -9.851 1.00 0.00 H new ATOM 0 HG1 THR C 38 85.906 9.667 -11.091 1.00 0.00 H new ATOM 0 HG21 THR C 38 86.503 6.971 -11.985 1.00 0.00 H new ATOM 0 HG22 THR C 38 86.349 5.873 -10.593 1.00 0.00 H new ATOM 0 HG23 THR C 38 84.893 6.434 -11.450 1.00 0.00 H new ATOM 579 N LYS C 39 83.090 9.081 -8.728 1.00 0.00 N ATOM 580 CA LYS C 39 82.397 10.273 -8.246 1.00 0.00 C ATOM 581 C LYS C 39 81.853 10.047 -6.838 1.00 0.00 C ATOM 582 O LYS C 39 82.303 10.669 -5.875 1.00 0.00 O ATOM 583 CB LYS C 39 81.236 10.627 -9.177 1.00 0.00 C ATOM 584 CG LYS C 39 81.294 12.115 -9.526 1.00 0.00 C ATOM 585 CD LYS C 39 80.489 12.372 -10.802 1.00 0.00 C ATOM 586 CE LYS C 39 78.996 12.213 -10.507 1.00 0.00 C ATOM 587 NZ LYS C 39 78.259 11.974 -11.780 1.00 0.00 N ATOM 0 H LYS C 39 82.531 8.477 -9.331 1.00 0.00 H new ATOM 0 HA LYS C 39 83.115 11.093 -8.228 1.00 0.00 H new ATOM 0 HB2 LYS C 39 81.290 10.028 -10.086 1.00 0.00 H new ATOM 0 HB3 LYS C 39 80.286 10.393 -8.696 1.00 0.00 H new ATOM 0 HG2 LYS C 39 80.892 12.708 -8.704 1.00 0.00 H new ATOM 0 HG3 LYS C 39 82.329 12.426 -9.667 1.00 0.00 H new ATOM 0 HD2 LYS C 39 80.691 13.376 -11.176 1.00 0.00 H new ATOM 0 HD3 LYS C 39 80.792 11.674 -11.582 1.00 0.00 H new ATOM 0 HE2 LYS C 39 78.837 11.381 -9.821 1.00 0.00 H new ATOM 0 HE3 LYS C 39 78.614 13.108 -10.016 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 77.244 11.866 -11.579 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 78.401 12.781 -12.420 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 78.617 11.108 -12.231 1.00 0.00 H new ATOM 601 N GLU C 40 80.874 9.152 -6.732 1.00 0.00 N ATOM 602 CA GLU C 40 80.262 8.849 -5.439 1.00 0.00 C ATOM 603 C GLU C 40 81.317 8.783 -4.336 1.00 0.00 C ATOM 604 O GLU C 40 81.326 9.602 -3.416 1.00 0.00 O ATOM 605 CB GLU C 40 79.524 7.509 -5.499 1.00 0.00 C ATOM 606 CG GLU C 40 78.189 7.693 -6.223 1.00 0.00 C ATOM 607 CD GLU C 40 77.369 8.766 -5.514 1.00 0.00 C ATOM 608 OE1 GLU C 40 77.560 8.937 -4.321 1.00 0.00 O ATOM 609 OE2 GLU C 40 76.563 9.400 -6.174 1.00 0.00 O ATOM 0 H GLU C 40 80.489 8.627 -7.518 1.00 0.00 H new ATOM 0 HA GLU C 40 79.557 9.649 -5.212 1.00 0.00 H new ATOM 0 HB2 GLU C 40 80.133 6.770 -6.019 1.00 0.00 H new ATOM 0 HB3 GLU C 40 79.354 7.130 -4.491 1.00 0.00 H new ATOM 0 HG2 GLU C 40 78.362 7.979 -7.260 1.00 0.00 H new ATOM 0 HG3 GLU C 40 77.639 6.752 -6.239 1.00 0.00 H new ATOM 616 N LEU C 41 82.199 7.792 -4.435 1.00 0.00 N ATOM 617 CA LEU C 41 83.254 7.610 -3.437 1.00 0.00 C ATOM 618 C LEU C 41 83.759 8.954 -2.919 1.00 0.00 C ATOM 619 O LEU C 41 83.751 9.214 -1.716 1.00 0.00 O ATOM 620 CB LEU C 41 84.432 6.843 -4.042 1.00 0.00 C ATOM 621 CG LEU C 41 85.555 6.736 -3.009 1.00 0.00 C ATOM 622 CD1 LEU C 41 85.015 6.095 -1.731 1.00 0.00 C ATOM 623 CD2 LEU C 41 86.685 5.871 -3.573 1.00 0.00 C ATOM 0 H LEU C 41 82.206 7.106 -5.190 1.00 0.00 H new ATOM 0 HA LEU C 41 82.828 7.044 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU C 41 84.112 5.848 -4.351 1.00 0.00 H new ATOM 0 HB3 LEU C 41 84.792 7.354 -4.935 1.00 0.00 H new ATOM 0 HG LEU C 41 85.935 7.732 -2.783 1.00 0.00 H new ATOM 0 HD11 LEU C 41 85.816 6.019 -0.996 1.00 0.00 H new ATOM 0 HD12 LEU C 41 84.209 6.709 -1.328 1.00 0.00 H new ATOM 0 HD13 LEU C 41 84.634 5.099 -1.956 1.00 0.00 H new ATOM 0 HD21 LEU C 41 87.486 5.794 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU C 41 86.303 4.875 -3.799 1.00 0.00 H new ATOM 0 HD23 LEU C 41 87.072 6.327 -4.484 1.00 0.00 H new ATOM 635 N GLY C 42 84.207 9.798 -3.841 1.00 0.00 N ATOM 636 CA GLY C 42 84.728 11.113 -3.474 1.00 0.00 C ATOM 637 C GLY C 42 83.910 11.742 -2.349 1.00 0.00 C ATOM 638 O GLY C 42 84.446 12.459 -1.503 1.00 0.00 O ATOM 0 H GLY C 42 84.221 9.599 -4.841 1.00 0.00 H new ATOM 0 HA2 GLY C 42 85.768 11.020 -3.161 1.00 0.00 H new ATOM 0 HA3 GLY C 42 84.715 11.768 -4.345 1.00 0.00 H new ATOM 642 N LYS C 43 82.608 11.474 -2.348 1.00 0.00 N ATOM 643 CA LYS C 43 81.729 12.029 -1.321 1.00 0.00 C ATOM 644 C LYS C 43 82.082 11.462 0.051 1.00 0.00 C ATOM 645 O LYS C 43 82.289 12.204 1.011 1.00 0.00 O ATOM 646 CB LYS C 43 80.266 11.708 -1.631 1.00 0.00 C ATOM 647 CG LYS C 43 79.808 12.527 -2.839 1.00 0.00 C ATOM 648 CD LYS C 43 78.316 12.839 -2.712 1.00 0.00 C ATOM 649 CE LYS C 43 77.911 13.842 -3.793 1.00 0.00 C ATOM 650 NZ LYS C 43 78.288 15.218 -3.362 1.00 0.00 N ATOM 0 H LYS C 43 82.141 10.884 -3.037 1.00 0.00 H new ATOM 0 HA LYS C 43 81.868 13.110 -1.314 1.00 0.00 H new ATOM 0 HB2 LYS C 43 80.152 10.644 -1.836 1.00 0.00 H new ATOM 0 HB3 LYS C 43 79.642 11.935 -0.767 1.00 0.00 H new ATOM 0 HG2 LYS C 43 80.379 13.453 -2.901 1.00 0.00 H new ATOM 0 HG3 LYS C 43 79.997 11.974 -3.759 1.00 0.00 H new ATOM 0 HD2 LYS C 43 77.732 11.924 -2.813 1.00 0.00 H new ATOM 0 HD3 LYS C 43 78.102 13.247 -1.724 1.00 0.00 H new ATOM 0 HE2 LYS C 43 78.403 13.597 -4.734 1.00 0.00 H new ATOM 0 HE3 LYS C 43 76.837 13.787 -3.971 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 77.894 15.911 -4.030 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 77.909 15.400 -2.411 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 79.324 15.305 -3.344 1.00 0.00 H new ATOM 664 N VAL C 44 82.144 10.136 0.132 1.00 0.00 N ATOM 665 CA VAL C 44 82.468 9.471 1.392 1.00 0.00 C ATOM 666 C VAL C 44 83.799 9.975 1.945 1.00 0.00 C ATOM 667 O VAL C 44 83.861 10.530 3.042 1.00 0.00 O ATOM 668 CB VAL C 44 82.552 7.958 1.189 1.00 0.00 C ATOM 669 CG1 VAL C 44 82.754 7.270 2.540 1.00 0.00 C ATOM 670 CG2 VAL C 44 81.252 7.458 0.554 1.00 0.00 C ATOM 0 H VAL C 44 81.976 9.505 -0.652 1.00 0.00 H new ATOM 0 HA VAL C 44 81.675 9.701 2.104 1.00 0.00 H new ATOM 0 HB VAL C 44 83.392 7.726 0.535 1.00 0.00 H new ATOM 0 HG11 VAL C 44 82.814 6.192 2.394 1.00 0.00 H new ATOM 0 HG12 VAL C 44 83.678 7.626 2.995 1.00 0.00 H new ATOM 0 HG13 VAL C 44 81.914 7.501 3.195 1.00 0.00 H new ATOM 0 HG21 VAL C 44 81.310 6.379 0.408 1.00 0.00 H new ATOM 0 HG22 VAL C 44 80.413 7.691 1.210 1.00 0.00 H new ATOM 0 HG23 VAL C 44 81.106 7.947 -0.409 1.00 0.00 H new ATOM 680 N MET C 45 84.864 9.772 1.175 1.00 0.00 N ATOM 681 CA MET C 45 86.194 10.206 1.598 1.00 0.00 C ATOM 682 C MET C 45 86.125 11.577 2.264 1.00 0.00 C ATOM 683 O MET C 45 86.675 11.789 3.345 1.00 0.00 O ATOM 684 CB MET C 45 87.137 10.288 0.396 1.00 0.00 C ATOM 685 CG MET C 45 87.414 8.880 -0.132 1.00 0.00 C ATOM 686 SD MET C 45 89.044 8.332 0.435 1.00 0.00 S ATOM 687 CE MET C 45 88.645 8.220 2.197 1.00 0.00 C ATOM 0 H MET C 45 84.835 9.315 0.264 1.00 0.00 H new ATOM 0 HA MET C 45 86.573 9.474 2.311 1.00 0.00 H new ATOM 0 HB2 MET C 45 86.692 10.901 -0.388 1.00 0.00 H new ATOM 0 HB3 MET C 45 88.071 10.770 0.685 1.00 0.00 H new ATOM 0 HG2 MET C 45 86.645 8.191 0.218 1.00 0.00 H new ATOM 0 HG3 MET C 45 87.375 8.874 -1.221 1.00 0.00 H new ATOM 0 HE1 MET C 45 89.419 7.649 2.710 1.00 0.00 H new ATOM 0 HE2 MET C 45 88.591 9.222 2.622 1.00 0.00 H new ATOM 0 HE3 MET C 45 87.684 7.721 2.321 1.00 0.00 H new ATOM 697 N ARG C 46 85.449 12.507 1.597 1.00 0.00 N ATOM 698 CA ARG C 46 85.314 13.866 2.117 1.00 0.00 C ATOM 699 C ARG C 46 84.678 13.863 3.505 1.00 0.00 C ATOM 700 O ARG C 46 84.922 14.759 4.314 1.00 0.00 O ATOM 701 CB ARG C 46 84.449 14.709 1.180 1.00 0.00 C ATOM 702 CG ARG C 46 85.349 15.566 0.291 1.00 0.00 C ATOM 703 CD ARG C 46 84.538 16.723 -0.290 1.00 0.00 C ATOM 704 NE ARG C 46 84.982 17.995 0.273 1.00 0.00 N ATOM 705 CZ ARG C 46 84.275 19.105 0.096 1.00 0.00 C ATOM 706 NH1 ARG C 46 83.161 19.068 -0.584 1.00 0.00 N ATOM 707 NH2 ARG C 46 84.694 20.232 0.603 1.00 0.00 N ATOM 0 H ARG C 46 84.988 12.348 0.701 1.00 0.00 H new ATOM 0 HA ARG C 46 86.314 14.294 2.184 1.00 0.00 H new ATOM 0 HB2 ARG C 46 83.822 14.062 0.566 1.00 0.00 H new ATOM 0 HB3 ARG C 46 83.780 15.345 1.759 1.00 0.00 H new ATOM 0 HG2 ARG C 46 86.189 15.951 0.869 1.00 0.00 H new ATOM 0 HG3 ARG C 46 85.767 14.960 -0.513 1.00 0.00 H new ATOM 0 HD2 ARG C 46 84.646 16.742 -1.374 1.00 0.00 H new ATOM 0 HD3 ARG C 46 83.479 16.575 -0.078 1.00 0.00 H new ATOM 0 HE ARG C 46 85.848 18.031 0.810 1.00 0.00 H new ATOM 0 HH11 ARG C 46 82.834 18.186 -0.979 1.00 0.00 H new ATOM 0 HH12 ARG C 46 82.618 19.921 -0.720 1.00 0.00 H new ATOM 0 HH21 ARG C 46 85.564 20.260 1.135 1.00 0.00 H new ATOM 0 HH22 ARG C 46 84.152 21.085 0.468 1.00 0.00 H new ATOM 721 N MET C 47 83.854 12.854 3.771 1.00 0.00 N ATOM 722 CA MET C 47 83.183 12.756 5.067 1.00 0.00 C ATOM 723 C MET C 47 84.089 12.096 6.101 1.00 0.00 C ATOM 724 O MET C 47 83.646 11.735 7.191 1.00 0.00 O ATOM 725 CB MET C 47 81.897 11.936 4.945 1.00 0.00 C ATOM 726 CG MET C 47 81.031 12.505 3.822 1.00 0.00 C ATOM 727 SD MET C 47 79.813 11.266 3.314 1.00 0.00 S ATOM 728 CE MET C 47 79.291 10.763 4.973 1.00 0.00 C ATOM 0 H MET C 47 83.636 12.101 3.118 1.00 0.00 H new ATOM 0 HA MET C 47 82.944 13.769 5.390 1.00 0.00 H new ATOM 0 HB2 MET C 47 82.137 10.893 4.740 1.00 0.00 H new ATOM 0 HB3 MET C 47 81.349 11.958 5.887 1.00 0.00 H new ATOM 0 HG2 MET C 47 80.526 13.410 4.160 1.00 0.00 H new ATOM 0 HG3 MET C 47 81.655 12.786 2.974 1.00 0.00 H new ATOM 0 HE1 MET C 47 78.280 10.358 4.929 1.00 0.00 H new ATOM 0 HE2 MET C 47 79.971 10.001 5.353 1.00 0.00 H new ATOM 0 HE3 MET C 47 79.307 11.627 5.637 1.00 0.00 H new ATOM 738 N LEU C 48 85.361 11.938 5.749 1.00 0.00 N ATOM 739 CA LEU C 48 86.317 11.314 6.660 1.00 0.00 C ATOM 740 C LEU C 48 87.367 12.324 7.110 1.00 0.00 C ATOM 741 O LEU C 48 87.272 12.901 8.194 1.00 0.00 O ATOM 742 CB LEU C 48 87.015 10.136 5.975 1.00 0.00 C ATOM 743 CG LEU C 48 86.184 8.864 6.162 1.00 0.00 C ATOM 744 CD1 LEU C 48 84.707 9.166 5.893 1.00 0.00 C ATOM 745 CD2 LEU C 48 86.668 7.792 5.182 1.00 0.00 C ATOM 0 H LEU C 48 85.751 12.229 4.852 1.00 0.00 H new ATOM 0 HA LEU C 48 85.768 10.955 7.530 1.00 0.00 H new ATOM 0 HB2 LEU C 48 87.144 10.345 4.913 1.00 0.00 H new ATOM 0 HB3 LEU C 48 88.011 9.996 6.396 1.00 0.00 H new ATOM 0 HG LEU C 48 86.299 8.506 7.185 1.00 0.00 H new ATOM 0 HD11 LEU C 48 84.120 8.258 6.027 1.00 0.00 H new ATOM 0 HD12 LEU C 48 84.359 9.929 6.589 1.00 0.00 H new ATOM 0 HD13 LEU C 48 84.590 9.526 4.871 1.00 0.00 H new ATOM 0 HD21 LEU C 48 86.077 6.885 5.314 1.00 0.00 H new ATOM 0 HD22 LEU C 48 86.553 8.155 4.160 1.00 0.00 H new ATOM 0 HD23 LEU C 48 87.718 7.572 5.373 1.00 0.00 H new ATOM 757 N GLY C 49 88.371 12.531 6.264 1.00 0.00 N ATOM 758 CA GLY C 49 89.439 13.474 6.581 1.00 0.00 C ATOM 759 C GLY C 49 90.315 13.725 5.360 1.00 0.00 C ATOM 760 O GLY C 49 91.518 13.957 5.476 1.00 0.00 O ATOM 0 H GLY C 49 88.468 12.064 5.362 1.00 0.00 H new ATOM 0 HA2 GLY C 49 89.010 14.415 6.927 1.00 0.00 H new ATOM 0 HA3 GLY C 49 90.047 13.082 7.397 1.00 0.00 H new ATOM 764 N GLN C 50 89.695 13.673 4.184 1.00 0.00 N ATOM 765 CA GLN C 50 90.424 13.895 2.939 1.00 0.00 C ATOM 766 C GLN C 50 89.462 14.286 1.822 1.00 0.00 C ATOM 767 O GLN C 50 88.349 13.768 1.732 1.00 0.00 O ATOM 768 CB GLN C 50 91.176 12.627 2.528 1.00 0.00 C ATOM 769 CG GLN C 50 92.655 12.768 2.891 1.00 0.00 C ATOM 770 CD GLN C 50 93.357 13.623 1.843 1.00 0.00 C ATOM 771 OE1 GLN C 50 92.740 14.491 1.226 1.00 0.00 O ATOM 772 NE2 GLN C 50 94.624 13.428 1.601 1.00 0.00 N ATOM 0 H GLN C 50 88.700 13.481 4.067 1.00 0.00 H new ATOM 0 HA GLN C 50 91.137 14.703 3.104 1.00 0.00 H new ATOM 0 HB2 GLN C 50 90.749 11.759 3.031 1.00 0.00 H new ATOM 0 HB3 GLN C 50 91.068 12.459 1.456 1.00 0.00 H new ATOM 0 HG2 GLN C 50 92.757 13.225 3.876 1.00 0.00 H new ATOM 0 HG3 GLN C 50 93.122 11.785 2.946 1.00 0.00 H new ATOM 0 HE21 GLN C 50 95.136 12.709 2.112 1.00 0.00 H new ATOM 0 HE22 GLN C 50 95.103 13.995 0.901 1.00 0.00 H new ATOM 781 N ASN C 51 89.906 15.204 0.970 1.00 0.00 N ATOM 782 CA ASN C 51 89.077 15.659 -0.143 1.00 0.00 C ATOM 783 C ASN C 51 89.716 15.270 -1.472 1.00 0.00 C ATOM 784 O ASN C 51 90.388 16.077 -2.113 1.00 0.00 O ATOM 785 CB ASN C 51 88.904 17.179 -0.102 1.00 0.00 C ATOM 786 CG ASN C 51 88.034 17.623 -1.273 1.00 0.00 C ATOM 787 OD1 ASN C 51 86.836 17.345 -1.306 1.00 0.00 O ATOM 788 ND2 ASN C 51 88.572 18.303 -2.249 1.00 0.00 N ATOM 0 H ASN C 51 90.824 15.644 1.026 1.00 0.00 H new ATOM 0 HA ASN C 51 88.101 15.182 -0.051 1.00 0.00 H new ATOM 0 HB2 ASN C 51 88.445 17.478 0.840 1.00 0.00 H new ATOM 0 HB3 ASN C 51 89.877 17.668 -0.152 1.00 0.00 H new ATOM 0 HD21 ASN C 51 87.999 18.603 -3.038 1.00 0.00 H new ATOM 0 HD22 ASN C 51 89.565 18.534 -2.223 1.00 0.00 H new ATOM 795 N PRO C 52 89.508 14.025 -1.892 1.00 0.00 N ATOM 796 CA PRO C 52 90.062 13.510 -3.156 1.00 0.00 C ATOM 797 C PRO C 52 89.232 13.925 -4.368 1.00 0.00 C ATOM 798 O PRO C 52 88.105 14.399 -4.232 1.00 0.00 O ATOM 799 CB PRO C 52 89.999 12.003 -2.945 1.00 0.00 C ATOM 800 CG PRO C 52 88.915 11.745 -1.904 1.00 0.00 C ATOM 801 CD PRO C 52 88.702 13.051 -1.131 1.00 0.00 C ATOM 0 HA PRO C 52 91.061 13.892 -3.367 1.00 0.00 H new ATOM 0 HB2 PRO C 52 89.766 11.492 -3.879 1.00 0.00 H new ATOM 0 HB3 PRO C 52 90.961 11.621 -2.603 1.00 0.00 H new ATOM 0 HG2 PRO C 52 87.989 11.428 -2.384 1.00 0.00 H new ATOM 0 HG3 PRO C 52 89.214 10.944 -1.229 1.00 0.00 H new ATOM 0 HD2 PRO C 52 87.650 13.335 -1.101 1.00 0.00 H new ATOM 0 HD3 PRO C 52 89.040 12.968 -0.098 1.00 0.00 H new ATOM 809 N THR C 53 89.802 13.740 -5.554 1.00 0.00 N ATOM 810 CA THR C 53 89.102 14.100 -6.783 1.00 0.00 C ATOM 811 C THR C 53 88.609 12.846 -7.495 1.00 0.00 C ATOM 812 O THR C 53 88.888 11.724 -7.072 1.00 0.00 O ATOM 813 CB THR C 53 90.030 14.877 -7.718 1.00 0.00 C ATOM 814 OG1 THR C 53 91.336 14.918 -7.159 1.00 0.00 O ATOM 815 CG2 THR C 53 89.503 16.302 -7.894 1.00 0.00 C ATOM 0 H THR C 53 90.734 13.348 -5.691 1.00 0.00 H new ATOM 0 HA THR C 53 88.250 14.727 -6.519 1.00 0.00 H new ATOM 0 HB THR C 53 90.065 14.383 -8.689 1.00 0.00 H new ATOM 0 HG1 THR C 53 91.760 14.040 -7.253 1.00 0.00 H new ATOM 0 HG21 THR C 53 90.165 16.855 -8.560 1.00 0.00 H new ATOM 0 HG22 THR C 53 88.501 16.269 -8.323 1.00 0.00 H new ATOM 0 HG23 THR C 53 89.467 16.799 -6.924 1.00 0.00 H new ATOM 823 N PRO C 54 87.872 13.031 -8.584 1.00 0.00 N ATOM 824 CA PRO C 54 87.330 11.912 -9.372 1.00 0.00 C ATOM 825 C PRO C 54 88.369 11.313 -10.314 1.00 0.00 C ATOM 826 O PRO C 54 88.182 10.226 -10.862 1.00 0.00 O ATOM 827 CB PRO C 54 86.202 12.581 -10.148 1.00 0.00 C ATOM 828 CG PRO C 54 86.533 14.068 -10.222 1.00 0.00 C ATOM 829 CD PRO C 54 87.535 14.370 -9.101 1.00 0.00 C ATOM 0 HA PRO C 54 87.008 11.072 -8.756 1.00 0.00 H new ATOM 0 HB2 PRO C 54 86.116 12.155 -11.148 1.00 0.00 H new ATOM 0 HB3 PRO C 54 85.245 12.423 -9.651 1.00 0.00 H new ATOM 0 HG2 PRO C 54 86.957 14.319 -11.194 1.00 0.00 H new ATOM 0 HG3 PRO C 54 85.631 14.669 -10.103 1.00 0.00 H new ATOM 0 HD2 PRO C 54 88.416 14.890 -9.477 1.00 0.00 H new ATOM 0 HD3 PRO C 54 87.097 15.002 -8.328 1.00 0.00 H new ATOM 837 N GLU C 55 89.470 12.037 -10.491 1.00 0.00 N ATOM 838 CA GLU C 55 90.543 11.573 -11.365 1.00 0.00 C ATOM 839 C GLU C 55 91.504 10.668 -10.599 1.00 0.00 C ATOM 840 O GLU C 55 92.120 9.769 -11.171 1.00 0.00 O ATOM 841 CB GLU C 55 91.322 12.761 -11.934 1.00 0.00 C ATOM 842 CG GLU C 55 92.004 13.521 -10.794 1.00 0.00 C ATOM 843 CD GLU C 55 92.902 14.608 -11.375 1.00 0.00 C ATOM 844 OE1 GLU C 55 94.004 14.282 -11.786 1.00 0.00 O ATOM 845 OE2 GLU C 55 92.475 15.750 -11.401 1.00 0.00 O ATOM 0 H GLU C 55 89.642 12.938 -10.046 1.00 0.00 H new ATOM 0 HA GLU C 55 90.091 11.011 -12.182 1.00 0.00 H new ATOM 0 HB2 GLU C 55 92.067 12.412 -12.649 1.00 0.00 H new ATOM 0 HB3 GLU C 55 90.648 13.425 -12.475 1.00 0.00 H new ATOM 0 HG2 GLU C 55 91.255 13.965 -10.139 1.00 0.00 H new ATOM 0 HG3 GLU C 55 92.593 12.834 -10.186 1.00 0.00 H new ATOM 852 N GLU C 56 91.629 10.918 -9.296 1.00 0.00 N ATOM 853 CA GLU C 56 92.524 10.121 -8.460 1.00 0.00 C ATOM 854 C GLU C 56 91.814 8.870 -7.950 1.00 0.00 C ATOM 855 O GLU C 56 92.452 7.881 -7.589 1.00 0.00 O ATOM 856 CB GLU C 56 93.010 10.942 -7.263 1.00 0.00 C ATOM 857 CG GLU C 56 94.415 11.476 -7.549 1.00 0.00 C ATOM 858 CD GLU C 56 94.398 13.000 -7.514 1.00 0.00 C ATOM 859 OE1 GLU C 56 93.886 13.545 -6.550 1.00 0.00 O ATOM 860 OE2 GLU C 56 94.898 13.600 -8.451 1.00 0.00 O ATOM 0 H GLU C 56 91.128 11.657 -8.802 1.00 0.00 H new ATOM 0 HA GLU C 56 93.377 9.827 -9.071 1.00 0.00 H new ATOM 0 HB2 GLU C 56 92.326 11.769 -7.074 1.00 0.00 H new ATOM 0 HB3 GLU C 56 93.020 10.325 -6.365 1.00 0.00 H new ATOM 0 HG2 GLU C 56 95.118 11.093 -6.810 1.00 0.00 H new ATOM 0 HG3 GLU C 56 94.756 11.128 -8.524 1.00 0.00 H new ATOM 867 N LEU C 57 90.486 8.924 -7.926 1.00 0.00 N ATOM 868 CA LEU C 57 89.697 7.787 -7.458 1.00 0.00 C ATOM 869 C LEU C 57 89.572 6.737 -8.559 1.00 0.00 C ATOM 870 O LEU C 57 89.477 5.540 -8.288 1.00 0.00 O ATOM 871 CB LEU C 57 88.297 8.240 -7.040 1.00 0.00 C ATOM 872 CG LEU C 57 88.382 9.005 -5.718 1.00 0.00 C ATOM 873 CD1 LEU C 57 87.033 9.661 -5.419 1.00 0.00 C ATOM 874 CD2 LEU C 57 88.738 8.036 -4.588 1.00 0.00 C ATOM 0 H LEU C 57 89.938 9.732 -8.221 1.00 0.00 H new ATOM 0 HA LEU C 57 90.208 7.354 -6.598 1.00 0.00 H new ATOM 0 HB2 LEU C 57 87.863 8.875 -7.812 1.00 0.00 H new ATOM 0 HB3 LEU C 57 87.641 7.376 -6.931 1.00 0.00 H new ATOM 0 HG LEU C 57 89.151 9.774 -5.794 1.00 0.00 H new ATOM 0 HD11 LEU C 57 87.094 10.206 -4.477 1.00 0.00 H new ATOM 0 HD12 LEU C 57 86.779 10.352 -6.222 1.00 0.00 H new ATOM 0 HD13 LEU C 57 86.263 8.893 -5.344 1.00 0.00 H new ATOM 0 HD21 LEU C 57 88.798 8.582 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU C 57 87.970 7.267 -4.513 1.00 0.00 H new ATOM 0 HD23 LEU C 57 89.700 7.569 -4.799 1.00 0.00 H new ATOM 886 N GLN C 58 89.574 7.200 -9.806 1.00 0.00 N ATOM 887 CA GLN C 58 89.463 6.292 -10.944 1.00 0.00 C ATOM 888 C GLN C 58 90.348 5.070 -10.732 1.00 0.00 C ATOM 889 O GLN C 58 89.928 3.934 -10.954 1.00 0.00 O ATOM 890 CB GLN C 58 89.887 6.996 -12.234 1.00 0.00 C ATOM 891 CG GLN C 58 89.191 6.342 -13.431 1.00 0.00 C ATOM 892 CD GLN C 58 89.300 4.824 -13.325 1.00 0.00 C ATOM 893 OE1 GLN C 58 88.319 4.145 -13.023 1.00 0.00 O ATOM 894 NE2 GLN C 58 90.447 4.246 -13.557 1.00 0.00 N ATOM 0 H GLN C 58 89.650 8.187 -10.053 1.00 0.00 H new ATOM 0 HA GLN C 58 88.422 5.980 -11.028 1.00 0.00 H new ATOM 0 HB2 GLN C 58 89.629 8.054 -12.184 1.00 0.00 H new ATOM 0 HB3 GLN C 58 90.969 6.937 -12.353 1.00 0.00 H new ATOM 0 HG2 GLN C 58 88.143 6.639 -13.461 1.00 0.00 H new ATOM 0 HG3 GLN C 58 89.646 6.685 -14.360 1.00 0.00 H new ATOM 0 HE21 GLN C 58 91.260 4.809 -13.807 1.00 0.00 H new ATOM 0 HE22 GLN C 58 90.530 3.232 -13.488 1.00 0.00 H new ATOM 903 N GLU C 59 91.580 5.318 -10.299 1.00 0.00 N ATOM 904 CA GLU C 59 92.523 4.232 -10.058 1.00 0.00 C ATOM 905 C GLU C 59 91.911 3.198 -9.117 1.00 0.00 C ATOM 906 O GLU C 59 91.905 2.002 -9.405 1.00 0.00 O ATOM 907 CB GLU C 59 93.813 4.771 -9.436 1.00 0.00 C ATOM 908 CG GLU C 59 94.944 3.762 -9.647 1.00 0.00 C ATOM 909 CD GLU C 59 96.248 4.342 -9.111 1.00 0.00 C ATOM 910 OE1 GLU C 59 96.579 5.453 -9.490 1.00 0.00 O ATOM 911 OE2 GLU C 59 96.897 3.666 -8.329 1.00 0.00 O ATOM 0 H GLU C 59 91.946 6.251 -10.109 1.00 0.00 H new ATOM 0 HA GLU C 59 92.751 3.764 -11.015 1.00 0.00 H new ATOM 0 HB2 GLU C 59 94.075 5.727 -9.889 1.00 0.00 H new ATOM 0 HB3 GLU C 59 93.667 4.952 -8.371 1.00 0.00 H new ATOM 0 HG2 GLU C 59 94.712 2.827 -9.136 1.00 0.00 H new ATOM 0 HG3 GLU C 59 95.045 3.529 -10.707 1.00 0.00 H new ATOM 918 N MET C 60 91.394 3.676 -7.989 1.00 0.00 N ATOM 919 CA MET C 60 90.778 2.788 -7.007 1.00 0.00 C ATOM 920 C MET C 60 89.884 1.762 -7.698 1.00 0.00 C ATOM 921 O MET C 60 89.875 0.584 -7.342 1.00 0.00 O ATOM 922 CB MET C 60 89.939 3.590 -6.011 1.00 0.00 C ATOM 923 CG MET C 60 90.752 3.828 -4.738 1.00 0.00 C ATOM 924 SD MET C 60 91.022 5.604 -4.517 1.00 0.00 S ATOM 925 CE MET C 60 90.227 5.753 -2.898 1.00 0.00 C ATOM 0 H MET C 60 91.389 4.663 -7.733 1.00 0.00 H new ATOM 0 HA MET C 60 91.577 2.272 -6.475 1.00 0.00 H new ATOM 0 HB2 MET C 60 89.644 4.543 -6.451 1.00 0.00 H new ATOM 0 HB3 MET C 60 89.022 3.051 -5.774 1.00 0.00 H new ATOM 0 HG2 MET C 60 90.225 3.419 -3.876 1.00 0.00 H new ATOM 0 HG3 MET C 60 91.708 3.309 -4.802 1.00 0.00 H new ATOM 0 HE1 MET C 60 89.801 6.751 -2.792 1.00 0.00 H new ATOM 0 HE2 MET C 60 89.435 5.009 -2.812 1.00 0.00 H new ATOM 0 HE3 MET C 60 90.966 5.589 -2.113 1.00 0.00 H new ATOM 935 N ILE C 61 89.130 2.223 -8.692 1.00 0.00 N ATOM 936 CA ILE C 61 88.235 1.337 -9.429 1.00 0.00 C ATOM 937 C ILE C 61 89.044 0.338 -10.254 1.00 0.00 C ATOM 938 O ILE C 61 88.748 -0.857 -10.274 1.00 0.00 O ATOM 939 CB ILE C 61 87.323 2.164 -10.351 1.00 0.00 C ATOM 940 CG1 ILE C 61 86.157 2.745 -9.539 1.00 0.00 C ATOM 941 CG2 ILE C 61 86.760 1.281 -11.470 1.00 0.00 C ATOM 942 CD1 ILE C 61 86.645 3.208 -8.161 1.00 0.00 C ATOM 0 H ILE C 61 89.120 3.194 -9.003 1.00 0.00 H new ATOM 0 HA ILE C 61 87.619 0.787 -8.718 1.00 0.00 H new ATOM 0 HB ILE C 61 87.910 2.972 -10.789 1.00 0.00 H new ATOM 0 HG12 ILE C 61 85.714 3.584 -10.076 1.00 0.00 H new ATOM 0 HG13 ILE C 61 85.376 1.993 -9.422 1.00 0.00 H new ATOM 0 HG21 ILE C 61 86.116 1.878 -12.116 1.00 0.00 H new ATOM 0 HG22 ILE C 61 87.581 0.870 -12.057 1.00 0.00 H new ATOM 0 HG23 ILE C 61 86.182 0.466 -11.034 1.00 0.00 H new ATOM 0 HD11 ILE C 61 85.807 3.618 -7.597 1.00 0.00 H new ATOM 0 HD12 ILE C 61 87.066 2.360 -7.621 1.00 0.00 H new ATOM 0 HD13 ILE C 61 87.409 3.976 -8.285 1.00 0.00 H new ATOM 954 N ASP C 62 90.068 0.841 -10.936 1.00 0.00 N ATOM 955 CA ASP C 62 90.914 -0.016 -11.762 1.00 0.00 C ATOM 956 C ASP C 62 91.268 -1.300 -11.017 1.00 0.00 C ATOM 957 O ASP C 62 91.497 -2.345 -11.627 1.00 0.00 O ATOM 958 CB ASP C 62 92.204 0.713 -12.143 1.00 0.00 C ATOM 959 CG ASP C 62 92.000 1.453 -13.461 1.00 0.00 C ATOM 960 OD1 ASP C 62 91.484 0.846 -14.385 1.00 0.00 O ATOM 961 OD2 ASP C 62 92.363 2.616 -13.527 1.00 0.00 O ATOM 0 H ASP C 62 90.331 1.827 -10.935 1.00 0.00 H new ATOM 0 HA ASP C 62 90.357 -0.265 -12.665 1.00 0.00 H new ATOM 0 HB2 ASP C 62 92.482 1.416 -11.358 1.00 0.00 H new ATOM 0 HB3 ASP C 62 93.023 -0.000 -12.237 1.00 0.00 H new ATOM 966 N GLU C 63 91.311 -1.212 -9.690 1.00 0.00 N ATOM 967 CA GLU C 63 91.640 -2.375 -8.869 1.00 0.00 C ATOM 968 C GLU C 63 90.493 -3.380 -8.882 1.00 0.00 C ATOM 969 O GLU C 63 90.705 -4.584 -9.021 1.00 0.00 O ATOM 970 CB GLU C 63 91.909 -1.958 -7.420 1.00 0.00 C ATOM 971 CG GLU C 63 92.563 -0.576 -7.391 1.00 0.00 C ATOM 972 CD GLU C 63 93.840 -0.634 -6.560 1.00 0.00 C ATOM 973 OE1 GLU C 63 94.002 -1.594 -5.825 1.00 0.00 O ATOM 974 OE2 GLU C 63 94.637 0.284 -6.669 1.00 0.00 O ATOM 0 H GLU C 63 91.125 -0.358 -9.164 1.00 0.00 H new ATOM 0 HA GLU C 63 92.536 -2.832 -9.289 1.00 0.00 H new ATOM 0 HB2 GLU C 63 90.975 -1.940 -6.858 1.00 0.00 H new ATOM 0 HB3 GLU C 63 92.558 -2.688 -6.937 1.00 0.00 H new ATOM 0 HG2 GLU C 63 92.791 -0.249 -8.405 1.00 0.00 H new ATOM 0 HG3 GLU C 63 91.874 0.155 -6.968 1.00 0.00 H new ATOM 981 N VAL C 64 89.274 -2.870 -8.730 1.00 0.00 N ATOM 982 CA VAL C 64 88.095 -3.732 -8.720 1.00 0.00 C ATOM 983 C VAL C 64 87.565 -3.938 -10.135 1.00 0.00 C ATOM 984 O VAL C 64 86.814 -4.877 -10.400 1.00 0.00 O ATOM 985 CB VAL C 64 86.989 -3.114 -7.864 1.00 0.00 C ATOM 986 CG1 VAL C 64 87.462 -3.006 -6.413 1.00 0.00 C ATOM 987 CG2 VAL C 64 86.653 -1.719 -8.394 1.00 0.00 C ATOM 0 H VAL C 64 89.077 -1.876 -8.613 1.00 0.00 H new ATOM 0 HA VAL C 64 88.390 -4.694 -8.300 1.00 0.00 H new ATOM 0 HB VAL C 64 86.102 -3.745 -7.910 1.00 0.00 H new ATOM 0 HG11 VAL C 64 86.672 -2.565 -5.805 1.00 0.00 H new ATOM 0 HG12 VAL C 64 87.701 -3.999 -6.033 1.00 0.00 H new ATOM 0 HG13 VAL C 64 88.350 -2.376 -6.366 1.00 0.00 H new ATOM 0 HG21 VAL C 64 85.865 -1.278 -7.784 1.00 0.00 H new ATOM 0 HG22 VAL C 64 87.541 -1.089 -8.349 1.00 0.00 H new ATOM 0 HG23 VAL C 64 86.313 -1.794 -9.427 1.00 0.00 H new ATOM 997 N ASP C 65 87.959 -3.049 -11.041 1.00 0.00 N ATOM 998 CA ASP C 65 87.510 -3.145 -12.427 1.00 0.00 C ATOM 999 C ASP C 65 88.229 -4.280 -13.147 1.00 0.00 C ATOM 1000 O ASP C 65 88.892 -4.069 -14.163 1.00 0.00 O ATOM 1001 CB ASP C 65 87.770 -1.835 -13.172 1.00 0.00 C ATOM 1002 CG ASP C 65 86.440 -1.156 -13.480 1.00 0.00 C ATOM 1003 OD1 ASP C 65 85.487 -1.412 -12.762 1.00 0.00 O ATOM 1004 OD2 ASP C 65 86.391 -0.391 -14.429 1.00 0.00 O ATOM 0 H ASP C 65 88.580 -2.264 -10.846 1.00 0.00 H new ATOM 0 HA ASP C 65 86.439 -3.346 -12.415 1.00 0.00 H new ATOM 0 HB2 ASP C 65 88.395 -1.178 -12.568 1.00 0.00 H new ATOM 0 HB3 ASP C 65 88.314 -2.031 -14.096 1.00 0.00 H new ATOM 1009 N GLU C 66 88.086 -5.488 -12.612 1.00 0.00 N ATOM 1010 CA GLU C 66 88.721 -6.656 -13.214 1.00 0.00 C ATOM 1011 C GLU C 66 87.846 -7.207 -14.335 1.00 0.00 C ATOM 1012 O GLU C 66 88.314 -7.937 -15.208 1.00 0.00 O ATOM 1013 CB GLU C 66 88.940 -7.749 -12.167 1.00 0.00 C ATOM 1014 CG GLU C 66 90.438 -8.018 -12.015 1.00 0.00 C ATOM 1015 CD GLU C 66 90.810 -9.275 -12.794 1.00 0.00 C ATOM 1016 OE1 GLU C 66 90.482 -9.340 -13.967 1.00 0.00 O ATOM 1017 OE2 GLU C 66 91.416 -10.155 -12.206 1.00 0.00 O ATOM 0 H GLU C 66 87.542 -5.684 -11.772 1.00 0.00 H new ATOM 0 HA GLU C 66 89.686 -6.349 -13.618 1.00 0.00 H new ATOM 0 HB2 GLU C 66 88.516 -7.442 -11.211 1.00 0.00 H new ATOM 0 HB3 GLU C 66 88.424 -8.662 -12.466 1.00 0.00 H new ATOM 0 HG2 GLU C 66 91.010 -7.166 -12.383 1.00 0.00 H new ATOM 0 HG3 GLU C 66 90.691 -8.141 -10.962 1.00 0.00 H new ATOM 1024 N ASP C 67 86.567 -6.841 -14.299 1.00 0.00 N ATOM 1025 CA ASP C 67 85.626 -7.297 -15.317 1.00 0.00 C ATOM 1026 C ASP C 67 85.401 -6.206 -16.361 1.00 0.00 C ATOM 1027 O ASP C 67 84.827 -6.451 -17.422 1.00 0.00 O ATOM 1028 CB ASP C 67 84.283 -7.663 -14.681 1.00 0.00 C ATOM 1029 CG ASP C 67 83.772 -6.490 -13.852 1.00 0.00 C ATOM 1030 OD1 ASP C 67 84.540 -5.568 -13.630 1.00 0.00 O ATOM 1031 OD2 ASP C 67 82.621 -6.530 -13.451 1.00 0.00 O ATOM 0 H ASP C 67 86.162 -6.237 -13.584 1.00 0.00 H new ATOM 0 HA ASP C 67 86.051 -8.178 -15.797 1.00 0.00 H new ATOM 0 HB2 ASP C 67 83.559 -7.916 -15.456 1.00 0.00 H new ATOM 0 HB3 ASP C 67 84.396 -8.545 -14.050 1.00 0.00 H new ATOM 1036 N GLY C 68 85.860 -4.996 -16.047 1.00 0.00 N ATOM 1037 CA GLY C 68 85.703 -3.873 -16.966 1.00 0.00 C ATOM 1038 C GLY C 68 84.300 -3.289 -16.867 1.00 0.00 C ATOM 1039 O GLY C 68 83.709 -2.880 -17.865 1.00 0.00 O ATOM 0 H GLY C 68 86.338 -4.770 -15.174 1.00 0.00 H new ATOM 0 HA2 GLY C 68 86.440 -3.103 -16.737 1.00 0.00 H new ATOM 0 HA3 GLY C 68 85.894 -4.203 -17.987 1.00 0.00 H new ATOM 1043 N SER C 69 83.772 -3.257 -15.646 1.00 0.00 N ATOM 1044 CA SER C 69 82.433 -2.722 -15.420 1.00 0.00 C ATOM 1045 C SER C 69 82.472 -1.197 -15.362 1.00 0.00 C ATOM 1046 O SER C 69 81.561 -0.521 -15.839 1.00 0.00 O ATOM 1047 CB SER C 69 81.855 -3.266 -14.109 1.00 0.00 C ATOM 1048 OG SER C 69 81.816 -2.229 -13.136 1.00 0.00 O ATOM 0 H SER C 69 84.245 -3.591 -14.806 1.00 0.00 H new ATOM 0 HA SER C 69 81.798 -3.033 -16.249 1.00 0.00 H new ATOM 0 HB2 SER C 69 80.852 -3.658 -14.277 1.00 0.00 H new ATOM 0 HB3 SER C 69 82.464 -4.094 -13.748 1.00 0.00 H new ATOM 0 HG SER C 69 82.454 -2.428 -12.420 1.00 0.00 H new ATOM 1054 N GLY C 70 83.538 -0.664 -14.770 1.00 0.00 N ATOM 1055 CA GLY C 70 83.685 0.784 -14.653 1.00 0.00 C ATOM 1056 C GLY C 70 83.274 1.260 -13.264 1.00 0.00 C ATOM 1057 O GLY C 70 83.621 2.363 -12.841 1.00 0.00 O ATOM 0 H GLY C 70 84.304 -1.205 -14.368 1.00 0.00 H new ATOM 0 HA2 GLY C 70 84.720 1.066 -14.847 1.00 0.00 H new ATOM 0 HA3 GLY C 70 83.073 1.278 -15.407 1.00 0.00 H new ATOM 1061 N THR C 71 82.528 0.414 -12.557 1.00 0.00 N ATOM 1062 CA THR C 71 82.071 0.757 -11.212 1.00 0.00 C ATOM 1063 C THR C 71 82.474 -0.330 -10.220 1.00 0.00 C ATOM 1064 O THR C 71 83.071 -1.340 -10.590 1.00 0.00 O ATOM 1065 CB THR C 71 80.550 0.915 -11.185 1.00 0.00 C ATOM 1066 OG1 THR C 71 79.941 -0.369 -11.185 1.00 0.00 O ATOM 1067 CG2 THR C 71 80.095 1.699 -12.416 1.00 0.00 C ATOM 0 H THR C 71 82.230 -0.504 -12.888 1.00 0.00 H new ATOM 0 HA THR C 71 82.538 1.701 -10.930 1.00 0.00 H new ATOM 0 HB THR C 71 80.257 1.455 -10.285 1.00 0.00 H new ATOM 0 HG1 THR C 71 80.439 -0.967 -11.781 1.00 0.00 H new ATOM 0 HG21 THR C 71 79.011 1.811 -12.396 1.00 0.00 H new ATOM 0 HG22 THR C 71 80.562 2.684 -12.413 1.00 0.00 H new ATOM 0 HG23 THR C 71 80.387 1.162 -13.318 1.00 0.00 H new ATOM 1075 N VAL C 72 82.140 -0.107 -8.952 1.00 0.00 N ATOM 1076 CA VAL C 72 82.471 -1.071 -7.906 1.00 0.00 C ATOM 1077 C VAL C 72 81.208 -1.531 -7.184 1.00 0.00 C ATOM 1078 O VAL C 72 80.782 -0.928 -6.199 1.00 0.00 O ATOM 1079 CB VAL C 72 83.426 -0.446 -6.890 1.00 0.00 C ATOM 1080 CG1 VAL C 72 84.143 -1.552 -6.116 1.00 0.00 C ATOM 1081 CG2 VAL C 72 84.459 0.410 -7.626 1.00 0.00 C ATOM 0 H VAL C 72 81.646 0.723 -8.626 1.00 0.00 H new ATOM 0 HA VAL C 72 82.951 -1.929 -8.377 1.00 0.00 H new ATOM 0 HB VAL C 72 82.862 0.177 -6.195 1.00 0.00 H new ATOM 0 HG11 VAL C 72 84.824 -1.106 -5.391 1.00 0.00 H new ATOM 0 HG12 VAL C 72 83.409 -2.166 -5.594 1.00 0.00 H new ATOM 0 HG13 VAL C 72 84.708 -2.174 -6.810 1.00 0.00 H new ATOM 0 HG21 VAL C 72 85.142 0.857 -6.904 1.00 0.00 H new ATOM 0 HG22 VAL C 72 85.022 -0.215 -8.319 1.00 0.00 H new ATOM 0 HG23 VAL C 72 83.950 1.198 -8.180 1.00 0.00 H new ATOM 1091 N ASP C 73 80.616 -2.610 -7.688 1.00 0.00 N ATOM 1092 CA ASP C 73 79.400 -3.153 -7.089 1.00 0.00 C ATOM 1093 C ASP C 73 79.658 -3.576 -5.644 1.00 0.00 C ATOM 1094 O ASP C 73 80.708 -3.284 -5.072 1.00 0.00 O ATOM 1095 CB ASP C 73 78.911 -4.363 -7.890 1.00 0.00 C ATOM 1096 CG ASP C 73 80.092 -5.272 -8.207 1.00 0.00 C ATOM 1097 OD1 ASP C 73 80.930 -5.445 -7.339 1.00 0.00 O ATOM 1098 OD2 ASP C 73 80.140 -5.784 -9.314 1.00 0.00 O ATOM 0 H ASP C 73 80.954 -3.122 -8.503 1.00 0.00 H new ATOM 0 HA ASP C 73 78.637 -2.375 -7.103 1.00 0.00 H new ATOM 0 HB2 ASP C 73 78.160 -4.910 -7.321 1.00 0.00 H new ATOM 0 HB3 ASP C 73 78.434 -4.033 -8.813 1.00 0.00 H new ATOM 1103 N PHE C 74 78.679 -4.264 -5.060 1.00 0.00 N ATOM 1104 CA PHE C 74 78.787 -4.725 -3.677 1.00 0.00 C ATOM 1105 C PHE C 74 79.596 -6.021 -3.594 1.00 0.00 C ATOM 1106 O PHE C 74 79.628 -6.679 -2.555 1.00 0.00 O ATOM 1107 CB PHE C 74 77.384 -4.967 -3.108 1.00 0.00 C ATOM 1108 CG PHE C 74 77.473 -5.547 -1.715 1.00 0.00 C ATOM 1109 CD1 PHE C 74 77.713 -4.709 -0.620 1.00 0.00 C ATOM 1110 CD2 PHE C 74 77.306 -6.924 -1.519 1.00 0.00 C ATOM 1111 CE1 PHE C 74 77.788 -5.248 0.670 1.00 0.00 C ATOM 1112 CE2 PHE C 74 77.381 -7.462 -0.230 1.00 0.00 C ATOM 1113 CZ PHE C 74 77.623 -6.624 0.866 1.00 0.00 C ATOM 0 H PHE C 74 77.804 -4.514 -5.521 1.00 0.00 H new ATOM 0 HA PHE C 74 79.299 -3.957 -3.097 1.00 0.00 H new ATOM 0 HB2 PHE C 74 76.828 -4.030 -3.084 1.00 0.00 H new ATOM 0 HB3 PHE C 74 76.834 -5.648 -3.758 1.00 0.00 H new ATOM 0 HD1 PHE C 74 77.840 -3.647 -0.770 1.00 0.00 H new ATOM 0 HD2 PHE C 74 77.119 -7.571 -2.364 1.00 0.00 H new ATOM 0 HE1 PHE C 74 77.973 -4.601 1.515 1.00 0.00 H new ATOM 0 HE2 PHE C 74 77.252 -8.524 -0.080 1.00 0.00 H new ATOM 0 HZ PHE C 74 77.682 -7.039 1.861 1.00 0.00 H new ATOM 1123 N ASP C 75 80.246 -6.388 -4.697 1.00 0.00 N ATOM 1124 CA ASP C 75 81.039 -7.616 -4.722 1.00 0.00 C ATOM 1125 C ASP C 75 82.538 -7.316 -4.728 1.00 0.00 C ATOM 1126 O ASP C 75 83.342 -8.124 -4.265 1.00 0.00 O ATOM 1127 CB ASP C 75 80.698 -8.447 -5.960 1.00 0.00 C ATOM 1128 CG ASP C 75 80.160 -9.807 -5.527 1.00 0.00 C ATOM 1129 OD1 ASP C 75 80.518 -10.246 -4.446 1.00 0.00 O ATOM 1130 OD2 ASP C 75 79.398 -10.388 -6.281 1.00 0.00 O ATOM 0 H ASP C 75 80.241 -5.863 -5.571 1.00 0.00 H new ATOM 0 HA ASP C 75 80.795 -8.175 -3.819 1.00 0.00 H new ATOM 0 HB2 ASP C 75 79.957 -7.927 -6.567 1.00 0.00 H new ATOM 0 HB3 ASP C 75 81.585 -8.576 -6.580 1.00 0.00 H new ATOM 1135 N GLU C 76 82.912 -6.154 -5.260 1.00 0.00 N ATOM 1136 CA GLU C 76 84.328 -5.785 -5.317 1.00 0.00 C ATOM 1137 C GLU C 76 84.734 -4.998 -4.076 1.00 0.00 C ATOM 1138 O GLU C 76 85.716 -5.326 -3.410 1.00 0.00 O ATOM 1139 CB GLU C 76 84.646 -4.936 -6.556 1.00 0.00 C ATOM 1140 CG GLU C 76 83.448 -4.901 -7.508 1.00 0.00 C ATOM 1141 CD GLU C 76 83.926 -4.549 -8.913 1.00 0.00 C ATOM 1142 OE1 GLU C 76 84.342 -3.419 -9.110 1.00 0.00 O ATOM 1143 OE2 GLU C 76 83.869 -5.414 -9.771 1.00 0.00 O ATOM 0 H GLU C 76 82.271 -5.463 -5.651 1.00 0.00 H new ATOM 0 HA GLU C 76 84.891 -6.717 -5.369 1.00 0.00 H new ATOM 0 HB2 GLU C 76 84.905 -3.922 -6.252 1.00 0.00 H new ATOM 0 HB3 GLU C 76 85.515 -5.346 -7.071 1.00 0.00 H new ATOM 0 HG2 GLU C 76 82.947 -5.869 -7.515 1.00 0.00 H new ATOM 0 HG3 GLU C 76 82.719 -4.167 -7.166 1.00 0.00 H new ATOM 1150 N PHE C 77 83.974 -3.949 -3.777 1.00 0.00 N ATOM 1151 CA PHE C 77 84.270 -3.113 -2.616 1.00 0.00 C ATOM 1152 C PHE C 77 84.765 -3.963 -1.450 1.00 0.00 C ATOM 1153 O PHE C 77 85.944 -3.935 -1.100 1.00 0.00 O ATOM 1154 CB PHE C 77 83.023 -2.348 -2.174 1.00 0.00 C ATOM 1155 CG PHE C 77 83.318 -1.616 -0.888 1.00 0.00 C ATOM 1156 CD1 PHE C 77 84.130 -0.477 -0.902 1.00 0.00 C ATOM 1157 CD2 PHE C 77 82.782 -2.080 0.319 1.00 0.00 C ATOM 1158 CE1 PHE C 77 84.406 0.200 0.292 1.00 0.00 C ATOM 1159 CE2 PHE C 77 83.058 -1.402 1.513 1.00 0.00 C ATOM 1160 CZ PHE C 77 83.870 -0.262 1.499 1.00 0.00 C ATOM 0 H PHE C 77 83.157 -3.659 -4.315 1.00 0.00 H new ATOM 0 HA PHE C 77 85.049 -2.408 -2.906 1.00 0.00 H new ATOM 0 HB2 PHE C 77 82.722 -1.641 -2.948 1.00 0.00 H new ATOM 0 HB3 PHE C 77 82.191 -3.037 -2.031 1.00 0.00 H new ATOM 0 HD1 PHE C 77 84.544 -0.120 -1.834 1.00 0.00 H new ATOM 0 HD2 PHE C 77 82.156 -2.960 0.330 1.00 0.00 H new ATOM 0 HE1 PHE C 77 85.033 1.079 0.281 1.00 0.00 H new ATOM 0 HE2 PHE C 77 82.644 -1.759 2.445 1.00 0.00 H new ATOM 0 HZ PHE C 77 84.083 0.261 2.420 1.00 0.00 H new ATOM 1170 N LEU C 78 83.847 -4.717 -0.850 1.00 0.00 N ATOM 1171 CA LEU C 78 84.198 -5.572 0.281 1.00 0.00 C ATOM 1172 C LEU C 78 85.576 -6.194 0.078 1.00 0.00 C ATOM 1173 O LEU C 78 86.561 -5.763 0.676 1.00 0.00 O ATOM 1174 CB LEU C 78 83.165 -6.688 0.450 1.00 0.00 C ATOM 1175 CG LEU C 78 81.881 -6.107 1.041 1.00 0.00 C ATOM 1176 CD1 LEU C 78 80.761 -7.145 0.955 1.00 0.00 C ATOM 1177 CD2 LEU C 78 82.117 -5.733 2.506 1.00 0.00 C ATOM 0 H LEU C 78 82.865 -4.754 -1.124 1.00 0.00 H new ATOM 0 HA LEU C 78 84.212 -4.952 1.177 1.00 0.00 H new ATOM 0 HB2 LEU C 78 82.957 -7.154 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU C 78 83.559 -7.467 1.103 1.00 0.00 H new ATOM 0 HG LEU C 78 81.595 -5.218 0.479 1.00 0.00 H new ATOM 0 HD11 LEU C 78 79.846 -6.729 1.377 1.00 0.00 H new ATOM 0 HD12 LEU C 78 80.591 -7.411 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU C 78 81.046 -8.036 1.515 1.00 0.00 H new ATOM 0 HD21 LEU C 78 81.201 -5.319 2.928 1.00 0.00 H new ATOM 0 HD22 LEU C 78 82.405 -6.622 3.067 1.00 0.00 H new ATOM 0 HD23 LEU C 78 82.913 -4.991 2.568 1.00 0.00 H new ATOM 1189 N VAL C 79 85.633 -7.214 -0.773 1.00 0.00 N ATOM 1190 CA VAL C 79 86.896 -7.893 -1.048 1.00 0.00 C ATOM 1191 C VAL C 79 88.036 -6.884 -1.140 1.00 0.00 C ATOM 1192 O VAL C 79 89.048 -7.005 -0.449 1.00 0.00 O ATOM 1193 CB VAL C 79 86.813 -8.671 -2.362 1.00 0.00 C ATOM 1194 CG1 VAL C 79 88.034 -9.583 -2.491 1.00 0.00 C ATOM 1195 CG2 VAL C 79 85.540 -9.519 -2.368 1.00 0.00 C ATOM 0 H VAL C 79 84.829 -7.586 -1.279 1.00 0.00 H new ATOM 0 HA VAL C 79 87.089 -8.585 -0.229 1.00 0.00 H new ATOM 0 HB VAL C 79 86.791 -7.974 -3.199 1.00 0.00 H new ATOM 0 HG11 VAL C 79 87.976 -10.138 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL C 79 88.942 -8.979 -2.483 1.00 0.00 H new ATOM 0 HG13 VAL C 79 88.056 -10.282 -1.655 1.00 0.00 H new ATOM 0 HG21 VAL C 79 85.478 -10.075 -3.303 1.00 0.00 H new ATOM 0 HG22 VAL C 79 85.564 -10.218 -1.532 1.00 0.00 H new ATOM 0 HG23 VAL C 79 84.670 -8.870 -2.273 1.00 0.00 H new ATOM 1205 N MET C 80 87.860 -5.886 -2.001 1.00 0.00 N ATOM 1206 CA MET C 80 88.881 -4.858 -2.174 1.00 0.00 C ATOM 1207 C MET C 80 89.452 -4.450 -0.821 1.00 0.00 C ATOM 1208 O MET C 80 90.639 -4.151 -0.694 1.00 0.00 O ATOM 1209 CB MET C 80 88.289 -3.625 -2.861 1.00 0.00 C ATOM 1210 CG MET C 80 89.265 -3.113 -3.921 1.00 0.00 C ATOM 1211 SD MET C 80 90.667 -2.306 -3.110 1.00 0.00 S ATOM 1212 CE MET C 80 89.954 -0.645 -3.030 1.00 0.00 C ATOM 0 H MET C 80 87.031 -5.767 -2.583 1.00 0.00 H new ATOM 0 HA MET C 80 89.676 -5.270 -2.796 1.00 0.00 H new ATOM 0 HB2 MET C 80 87.334 -3.876 -3.322 1.00 0.00 H new ATOM 0 HB3 MET C 80 88.093 -2.845 -2.125 1.00 0.00 H new ATOM 0 HG2 MET C 80 89.615 -3.940 -4.538 1.00 0.00 H new ATOM 0 HG3 MET C 80 88.762 -2.410 -4.585 1.00 0.00 H new ATOM 0 HE1 MET C 80 90.508 -0.046 -2.307 1.00 0.00 H new ATOM 0 HE2 MET C 80 90.014 -0.176 -4.012 1.00 0.00 H new ATOM 0 HE3 MET C 80 88.910 -0.711 -2.723 1.00 0.00 H new ATOM 1222 N MET C 81 88.589 -4.448 0.191 1.00 0.00 N ATOM 1223 CA MET C 81 89.011 -4.082 1.539 1.00 0.00 C ATOM 1224 C MET C 81 89.736 -5.249 2.199 1.00 0.00 C ATOM 1225 O MET C 81 90.891 -5.131 2.609 1.00 0.00 O ATOM 1226 CB MET C 81 87.802 -3.698 2.394 1.00 0.00 C ATOM 1227 CG MET C 81 86.987 -2.623 1.672 1.00 0.00 C ATOM 1228 SD MET C 81 87.830 -1.028 1.819 1.00 0.00 S ATOM 1229 CE MET C 81 88.279 -0.850 0.075 1.00 0.00 C ATOM 0 H MET C 81 87.603 -4.693 0.105 1.00 0.00 H new ATOM 0 HA MET C 81 89.684 -3.228 1.463 1.00 0.00 H new ATOM 0 HB2 MET C 81 87.182 -4.575 2.581 1.00 0.00 H new ATOM 0 HB3 MET C 81 88.132 -3.328 3.365 1.00 0.00 H new ATOM 0 HG2 MET C 81 86.866 -2.887 0.621 1.00 0.00 H new ATOM 0 HG3 MET C 81 85.987 -2.559 2.102 1.00 0.00 H new ATOM 0 HE1 MET C 81 88.820 0.086 -0.068 1.00 0.00 H new ATOM 0 HE2 MET C 81 88.913 -1.685 -0.225 1.00 0.00 H new ATOM 0 HE3 MET C 81 87.375 -0.844 -0.535 1.00 0.00 H new ATOM 1239 N VAL C 82 89.045 -6.382 2.291 1.00 0.00 N ATOM 1240 CA VAL C 82 89.631 -7.574 2.898 1.00 0.00 C ATOM 1241 C VAL C 82 90.947 -7.921 2.211 1.00 0.00 C ATOM 1242 O VAL C 82 91.782 -8.640 2.760 1.00 0.00 O ATOM 1243 CB VAL C 82 88.676 -8.763 2.771 1.00 0.00 C ATOM 1244 CG1 VAL C 82 89.185 -9.920 3.631 1.00 0.00 C ATOM 1245 CG2 VAL C 82 87.282 -8.351 3.246 1.00 0.00 C ATOM 0 H VAL C 82 88.089 -6.500 1.957 1.00 0.00 H new ATOM 0 HA VAL C 82 89.811 -7.365 3.952 1.00 0.00 H new ATOM 0 HB VAL C 82 88.626 -9.079 1.729 1.00 0.00 H new ATOM 0 HG11 VAL C 82 88.505 -10.767 3.541 1.00 0.00 H new ATOM 0 HG12 VAL C 82 90.179 -10.215 3.293 1.00 0.00 H new ATOM 0 HG13 VAL C 82 89.235 -9.604 4.673 1.00 0.00 H new ATOM 0 HG21 VAL C 82 86.602 -9.198 3.156 1.00 0.00 H new ATOM 0 HG22 VAL C 82 87.331 -8.035 4.288 1.00 0.00 H new ATOM 0 HG23 VAL C 82 86.918 -7.526 2.633 1.00 0.00 H new ATOM 1255 N ARG C 83 91.119 -7.402 0.999 1.00 0.00 N ATOM 1256 CA ARG C 83 92.335 -7.661 0.235 1.00 0.00 C ATOM 1257 C ARG C 83 93.494 -6.823 0.766 1.00 0.00 C ATOM 1258 O ARG C 83 94.639 -7.274 0.803 1.00 0.00 O ATOM 1259 CB ARG C 83 92.118 -7.330 -1.243 1.00 0.00 C ATOM 1260 CG ARG C 83 93.077 -8.159 -2.098 1.00 0.00 C ATOM 1261 CD ARG C 83 92.288 -8.894 -3.182 1.00 0.00 C ATOM 1262 NE ARG C 83 93.159 -9.804 -3.921 1.00 0.00 N ATOM 1263 CZ ARG C 83 94.033 -9.343 -4.811 1.00 0.00 C ATOM 1264 NH1 ARG C 83 94.116 -8.060 -5.040 1.00 0.00 N ATOM 1265 NH2 ARG C 83 94.806 -10.173 -5.457 1.00 0.00 N ATOM 0 H ARG C 83 90.439 -6.805 0.528 1.00 0.00 H new ATOM 0 HA ARG C 83 92.577 -8.719 0.341 1.00 0.00 H new ATOM 0 HB2 ARG C 83 91.087 -7.541 -1.526 1.00 0.00 H new ATOM 0 HB3 ARG C 83 92.285 -6.267 -1.417 1.00 0.00 H new ATOM 0 HG2 ARG C 83 93.826 -7.512 -2.554 1.00 0.00 H new ATOM 0 HG3 ARG C 83 93.612 -8.875 -1.474 1.00 0.00 H new ATOM 0 HD2 ARG C 83 91.469 -9.453 -2.728 1.00 0.00 H new ATOM 0 HD3 ARG C 83 91.841 -8.173 -3.866 1.00 0.00 H new ATOM 0 HE ARG C 83 93.096 -10.808 -3.752 1.00 0.00 H new ATOM 0 HH11 ARG C 83 93.511 -7.412 -4.536 1.00 0.00 H new ATOM 0 HH12 ARG C 83 94.786 -7.706 -5.723 1.00 0.00 H new ATOM 0 HH21 ARG C 83 94.740 -11.175 -5.279 1.00 0.00 H new ATOM 0 HH22 ARG C 83 95.476 -9.819 -6.140 1.00 0.00 H new ATOM 1279 N CYS C 84 93.185 -5.596 1.174 1.00 0.00 N ATOM 1280 CA CYS C 84 94.210 -4.699 1.700 1.00 0.00 C ATOM 1281 C CYS C 84 94.400 -4.923 3.197 1.00 0.00 C ATOM 1282 O CYS C 84 95.488 -4.720 3.736 1.00 0.00 O ATOM 1283 CB CYS C 84 93.818 -3.240 1.461 1.00 0.00 C ATOM 1284 SG CYS C 84 92.406 -2.816 2.511 1.00 0.00 S ATOM 0 H CYS C 84 92.244 -5.203 1.152 1.00 0.00 H new ATOM 0 HA CYS C 84 95.143 -4.915 1.180 1.00 0.00 H new ATOM 0 HB2 CYS C 84 94.660 -2.585 1.683 1.00 0.00 H new ATOM 0 HB3 CYS C 84 93.564 -3.088 0.412 1.00 0.00 H new ATOM 0 HG CYS C 84 91.601 -3.834 2.587 1.00 0.00 H new ATOM 1290 N MET C 85 93.327 -5.340 3.862 1.00 0.00 N ATOM 1291 CA MET C 85 93.383 -5.586 5.301 1.00 0.00 C ATOM 1292 C MET C 85 94.227 -6.820 5.601 1.00 0.00 C ATOM 1293 O MET C 85 94.633 -7.049 6.741 1.00 0.00 O ATOM 1294 CB MET C 85 91.976 -5.795 5.864 1.00 0.00 C ATOM 1295 CG MET C 85 91.035 -4.728 5.301 1.00 0.00 C ATOM 1296 SD MET C 85 90.491 -3.636 6.636 1.00 0.00 S ATOM 1297 CE MET C 85 89.022 -2.982 5.807 1.00 0.00 C ATOM 0 H MET C 85 92.417 -5.513 3.434 1.00 0.00 H new ATOM 0 HA MET C 85 93.837 -4.714 5.772 1.00 0.00 H new ATOM 0 HB2 MET C 85 91.613 -6.789 5.603 1.00 0.00 H new ATOM 0 HB3 MET C 85 91.997 -5.739 6.952 1.00 0.00 H new ATOM 0 HG2 MET C 85 91.544 -4.150 4.529 1.00 0.00 H new ATOM 0 HG3 MET C 85 90.173 -5.200 4.830 1.00 0.00 H new ATOM 0 HE1 MET C 85 88.462 -2.355 6.500 1.00 0.00 H new ATOM 0 HE2 MET C 85 89.325 -2.389 4.944 1.00 0.00 H new ATOM 0 HE3 MET C 85 88.393 -3.808 5.476 1.00 0.00 H new ATOM 1307 N LYS C 86 94.487 -7.614 4.566 1.00 0.00 N ATOM 1308 CA LYS C 86 95.285 -8.826 4.731 1.00 0.00 C ATOM 1309 C LYS C 86 96.737 -8.565 4.342 1.00 0.00 C ATOM 1310 O LYS C 86 97.628 -8.551 5.191 1.00 0.00 O ATOM 1311 CB LYS C 86 94.729 -9.956 3.863 1.00 0.00 C ATOM 1312 CG LYS C 86 93.403 -10.443 4.447 1.00 0.00 C ATOM 1313 CD LYS C 86 93.676 -11.531 5.486 1.00 0.00 C ATOM 1314 CE LYS C 86 94.098 -12.817 4.775 1.00 0.00 C ATOM 1315 NZ LYS C 86 95.581 -12.952 4.832 1.00 0.00 N ATOM 0 H LYS C 86 94.161 -7.444 3.615 1.00 0.00 H new ATOM 0 HA LYS C 86 95.238 -9.120 5.780 1.00 0.00 H new ATOM 0 HB2 LYS C 86 94.582 -9.605 2.842 1.00 0.00 H new ATOM 0 HB3 LYS C 86 95.443 -10.779 3.818 1.00 0.00 H new ATOM 0 HG2 LYS C 86 92.868 -9.612 4.906 1.00 0.00 H new ATOM 0 HG3 LYS C 86 92.765 -10.833 3.654 1.00 0.00 H new ATOM 0 HD2 LYS C 86 94.460 -11.207 6.171 1.00 0.00 H new ATOM 0 HD3 LYS C 86 92.783 -11.710 6.085 1.00 0.00 H new ATOM 0 HE2 LYS C 86 93.625 -13.678 5.247 1.00 0.00 H new ATOM 0 HE3 LYS C 86 93.763 -12.798 3.738 1.00 0.00 H new ATOM 0 HZ1 LYS C 86 95.965 -12.979 3.866 1.00 0.00 H new ATOM 0 HZ2 LYS C 86 95.984 -12.140 5.342 1.00 0.00 H new ATOM 0 HZ3 LYS C 86 95.831 -13.831 5.328 1.00 0.00 H new ATOM 1392 N ILE I 148 92.530 1.503 5.429 1.00 0.00 N ATOM 1393 CA ILE I 148 91.251 1.718 6.099 1.00 0.00 C ATOM 1394 C ILE I 148 91.144 0.821 7.330 1.00 0.00 C ATOM 1395 O ILE I 148 91.324 -0.394 7.249 1.00 0.00 O ATOM 1396 CB ILE I 148 90.089 1.423 5.140 1.00 0.00 C ATOM 1397 CG1 ILE I 148 89.905 2.611 4.193 1.00 0.00 C ATOM 1398 CG2 ILE I 148 88.794 1.203 5.929 1.00 0.00 C ATOM 1399 CD1 ILE I 148 90.466 2.258 2.815 1.00 0.00 C ATOM 0 HA ILE I 148 91.196 2.761 6.411 1.00 0.00 H new ATOM 0 HB ILE I 148 90.317 0.522 4.571 1.00 0.00 H new ATOM 0 HG12 ILE I 148 88.848 2.865 4.113 1.00 0.00 H new ATOM 0 HG13 ILE I 148 90.414 3.489 4.591 1.00 0.00 H new ATOM 0 HG21 ILE I 148 87.978 0.995 5.238 1.00 0.00 H new ATOM 0 HG22 ILE I 148 88.920 0.359 6.607 1.00 0.00 H new ATOM 0 HG23 ILE I 148 88.562 2.099 6.505 1.00 0.00 H new ATOM 0 HD11 ILE I 148 90.335 3.104 2.141 1.00 0.00 H new ATOM 0 HD12 ILE I 148 91.527 2.025 2.903 1.00 0.00 H new ATOM 0 HD13 ILE I 148 89.937 1.392 2.418 1.00 0.00 H new ATOM 1411 N SER I 149 90.846 1.437 8.470 1.00 0.00 N ATOM 1412 CA SER I 149 90.713 0.691 9.719 1.00 0.00 C ATOM 1413 C SER I 149 89.292 0.804 10.265 1.00 0.00 C ATOM 1414 O SER I 149 88.979 0.265 11.327 1.00 0.00 O ATOM 1415 CB SER I 149 91.691 1.224 10.766 1.00 0.00 C ATOM 1416 OG SER I 149 92.965 1.414 10.165 1.00 0.00 O ATOM 0 H SER I 149 90.693 2.442 8.556 1.00 0.00 H new ATOM 0 HA SER I 149 90.937 -0.355 9.509 1.00 0.00 H new ATOM 0 HB2 SER I 149 91.325 2.166 11.176 1.00 0.00 H new ATOM 0 HB3 SER I 149 91.769 0.523 11.597 1.00 0.00 H new ATOM 0 HG SER I 149 93.594 1.757 10.833 1.00 0.00 H new ATOM 1422 N ALA I 150 88.436 1.515 9.528 1.00 0.00 N ATOM 1423 CA ALA I 150 87.045 1.699 9.942 1.00 0.00 C ATOM 1424 C ALA I 150 86.909 2.912 10.861 1.00 0.00 C ATOM 1425 O ALA I 150 85.844 3.524 10.948 1.00 0.00 O ATOM 1426 CB ALA I 150 86.526 0.458 10.671 1.00 0.00 C ATOM 0 H ALA I 150 88.680 1.969 8.648 1.00 0.00 H new ATOM 0 HA ALA I 150 86.453 1.861 9.041 1.00 0.00 H new ATOM 0 HB1 ALA I 150 85.490 0.618 10.969 1.00 0.00 H new ATOM 0 HB2 ALA I 150 86.583 -0.405 10.007 1.00 0.00 H new ATOM 0 HB3 ALA I 150 87.134 0.275 11.557 1.00 0.00 H new ATOM 1432 N ASP I 151 87.998 3.255 11.545 1.00 0.00 N ATOM 1433 CA ASP I 151 87.985 4.398 12.452 1.00 0.00 C ATOM 1434 C ASP I 151 87.405 5.622 11.753 1.00 0.00 C ATOM 1435 O ASP I 151 86.458 6.242 12.237 1.00 0.00 O ATOM 1436 CB ASP I 151 89.402 4.720 12.927 1.00 0.00 C ATOM 1437 CG ASP I 151 89.788 3.771 14.056 1.00 0.00 C ATOM 1438 OD1 ASP I 151 89.089 2.789 14.242 1.00 0.00 O ATOM 1439 OD2 ASP I 151 90.777 4.040 14.718 1.00 0.00 O ATOM 0 H ASP I 151 88.890 2.764 11.490 1.00 0.00 H new ATOM 0 HA ASP I 151 87.365 4.141 13.311 1.00 0.00 H new ATOM 0 HB2 ASP I 151 90.105 4.623 12.100 1.00 0.00 H new ATOM 0 HB3 ASP I 151 89.456 5.753 13.271 1.00 0.00 H new ATOM 1444 N ALA I 152 87.984 5.962 10.605 1.00 0.00 N ATOM 1445 CA ALA I 152 87.517 7.114 9.840 1.00 0.00 C ATOM 1446 C ALA I 152 86.189 6.794 9.160 1.00 0.00 C ATOM 1447 O ALA I 152 85.359 7.675 8.941 1.00 0.00 O ATOM 1448 CB ALA I 152 88.542 7.499 8.773 1.00 0.00 C ATOM 0 H ALA I 152 88.769 5.462 10.187 1.00 0.00 H new ATOM 0 HA ALA I 152 87.383 7.947 10.530 1.00 0.00 H new ATOM 0 HB1 ALA I 152 88.178 8.360 8.212 1.00 0.00 H new ATOM 0 HB2 ALA I 152 89.488 7.752 9.252 1.00 0.00 H new ATOM 0 HB3 ALA I 152 88.692 6.660 8.093 1.00 0.00 H new ATOM 1454 N MET I 153 86.001 5.519 8.829 1.00 0.00 N ATOM 1455 CA MET I 153 84.770 5.086 8.173 1.00 0.00 C ATOM 1456 C MET I 153 83.559 5.425 9.036 1.00 0.00 C ATOM 1457 O MET I 153 82.629 6.095 8.590 1.00 0.00 O ATOM 1458 CB MET I 153 84.799 3.575 7.928 1.00 0.00 C ATOM 1459 CG MET I 153 83.651 3.185 6.996 1.00 0.00 C ATOM 1460 SD MET I 153 84.283 2.983 5.312 1.00 0.00 S ATOM 1461 CE MET I 153 84.348 4.740 4.886 1.00 0.00 C ATOM 0 H MET I 153 86.677 4.775 9.002 1.00 0.00 H new ATOM 0 HA MET I 153 84.694 5.608 7.219 1.00 0.00 H new ATOM 0 HB2 MET I 153 85.753 3.286 7.487 1.00 0.00 H new ATOM 0 HB3 MET I 153 84.710 3.041 8.874 1.00 0.00 H new ATOM 0 HG2 MET I 153 83.191 2.258 7.337 1.00 0.00 H new ATOM 0 HG3 MET I 153 82.876 3.951 7.016 1.00 0.00 H new ATOM 0 HE1 MET I 153 84.598 4.850 3.831 1.00 0.00 H new ATOM 0 HE2 MET I 153 83.377 5.197 5.078 1.00 0.00 H new ATOM 0 HE3 MET I 153 85.108 5.233 5.492 1.00 0.00 H new ATOM 1471 N MET I 154 83.582 4.948 10.277 1.00 0.00 N ATOM 1472 CA MET I 154 82.480 5.197 11.203 1.00 0.00 C ATOM 1473 C MET I 154 82.120 6.680 11.236 1.00 0.00 C ATOM 1474 O MET I 154 80.982 7.051 11.524 1.00 0.00 O ATOM 1475 CB MET I 154 82.862 4.747 12.614 1.00 0.00 C ATOM 1476 CG MET I 154 81.924 3.627 13.064 1.00 0.00 C ATOM 1477 SD MET I 154 80.569 4.332 14.035 1.00 0.00 S ATOM 1478 CE MET I 154 79.314 4.283 12.734 1.00 0.00 C ATOM 0 H MET I 154 84.344 4.391 10.663 1.00 0.00 H new ATOM 0 HA MET I 154 81.618 4.628 10.855 1.00 0.00 H new ATOM 0 HB2 MET I 154 83.895 4.399 12.629 1.00 0.00 H new ATOM 0 HB3 MET I 154 82.799 5.588 13.305 1.00 0.00 H new ATOM 0 HG2 MET I 154 81.528 3.099 12.197 1.00 0.00 H new ATOM 0 HG3 MET I 154 82.471 2.897 13.660 1.00 0.00 H new ATOM 0 HE1 MET I 154 78.346 4.562 13.151 1.00 0.00 H new ATOM 0 HE2 MET I 154 79.583 4.982 11.942 1.00 0.00 H new ATOM 0 HE3 MET I 154 79.255 3.275 12.323 1.00 0.00 H new ATOM 1488 N GLN I 155 83.104 7.525 10.943 1.00 0.00 N ATOM 1489 CA GLN I 155 82.881 8.968 10.949 1.00 0.00 C ATOM 1490 C GLN I 155 81.868 9.368 9.879 1.00 0.00 C ATOM 1491 O GLN I 155 80.995 10.204 10.114 1.00 0.00 O ATOM 1492 CB GLN I 155 84.193 9.712 10.693 1.00 0.00 C ATOM 1493 CG GLN I 155 84.282 10.925 11.621 1.00 0.00 C ATOM 1494 CD GLN I 155 85.744 11.227 11.927 1.00 0.00 C ATOM 1495 OE1 GLN I 155 86.310 12.185 11.403 1.00 0.00 O ATOM 1496 NE2 GLN I 155 86.397 10.456 12.754 1.00 0.00 N ATOM 0 H GLN I 155 84.053 7.241 10.701 1.00 0.00 H new ATOM 0 HA GLN I 155 82.491 9.238 11.930 1.00 0.00 H new ATOM 0 HB2 GLN I 155 85.040 9.047 10.864 1.00 0.00 H new ATOM 0 HB3 GLN I 155 84.245 10.032 9.652 1.00 0.00 H new ATOM 0 HG2 GLN I 155 83.812 11.790 11.152 1.00 0.00 H new ATOM 0 HG3 GLN I 155 83.739 10.729 12.546 1.00 0.00 H new ATOM 0 HE21 GLN I 155 85.928 9.661 13.189 1.00 0.00 H new ATOM 0 HE22 GLN I 155 87.376 10.648 12.965 1.00 0.00 H new ATOM 1505 N ALA I 156 81.997 8.768 8.699 1.00 0.00 N ATOM 1506 CA ALA I 156 81.090 9.076 7.595 1.00 0.00 C ATOM 1507 C ALA I 156 79.751 8.362 7.770 1.00 0.00 C ATOM 1508 O ALA I 156 78.820 8.564 6.990 1.00 0.00 O ATOM 1509 CB ALA I 156 81.710 8.653 6.262 1.00 0.00 C ATOM 0 H ALA I 156 82.712 8.073 8.483 1.00 0.00 H new ATOM 0 HA ALA I 156 80.922 10.153 7.597 1.00 0.00 H new ATOM 0 HB1 ALA I 156 81.022 8.889 5.450 1.00 0.00 H new ATOM 0 HB2 ALA I 156 82.648 9.188 6.111 1.00 0.00 H new ATOM 0 HB3 ALA I 156 81.902 7.580 6.274 1.00 0.00 H new ATOM 1515 N LEU I 157 79.661 7.524 8.800 1.00 0.00 N ATOM 1516 CA LEU I 157 78.425 6.785 9.059 1.00 0.00 C ATOM 1517 C LEU I 157 77.866 7.144 10.432 1.00 0.00 C ATOM 1518 O LEU I 157 77.461 6.271 11.200 1.00 0.00 O ATOM 1519 CB LEU I 157 78.657 5.268 9.002 1.00 0.00 C ATOM 1520 CG LEU I 157 80.105 4.965 8.605 1.00 0.00 C ATOM 1521 CD1 LEU I 157 80.337 3.454 8.632 1.00 0.00 C ATOM 1522 CD2 LEU I 157 80.366 5.497 7.193 1.00 0.00 C ATOM 0 H LEU I 157 80.416 7.340 9.461 1.00 0.00 H new ATOM 0 HA LEU I 157 77.713 7.065 8.283 1.00 0.00 H new ATOM 0 HB2 LEU I 157 78.439 4.823 9.973 1.00 0.00 H new ATOM 0 HB3 LEU I 157 77.974 4.816 8.283 1.00 0.00 H new ATOM 0 HG LEU I 157 80.784 5.448 9.308 1.00 0.00 H new ATOM 0 HD11 LEU I 157 81.368 3.239 8.349 1.00 0.00 H new ATOM 0 HD12 LEU I 157 80.150 3.075 9.637 1.00 0.00 H new ATOM 0 HD13 LEU I 157 79.659 2.969 7.929 1.00 0.00 H new ATOM 0 HD21 LEU I 157 81.396 5.283 6.908 1.00 0.00 H new ATOM 0 HD22 LEU I 157 79.687 5.013 6.491 1.00 0.00 H new ATOM 0 HD23 LEU I 157 80.201 6.574 7.174 1.00 0.00 H new