USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 651 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 ASN : amide:sc= -0.123 K(o=-0.12,f=-2.5!) USER MOD Set 1.2: A 88 ASN : amide:sc= 0 X(o=-0.12,f=0.28) USER MOD Set 2.1: A 1 MET N :NH3+ -179:sc= 1.24 (180deg=1.18) USER MOD Set 2.2: A 5 GLN : amide:sc= -1.29 X(o=-0.052,f=-0.17) USER MOD Single : A 1 MET CE :methyl 171:sc= -4.95! (180deg=-5.19!) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0548 USER MOD Single : A 7 GLN : amide:sc= -0.339 K(o=-0.34,f=-1.3!) USER MOD Single : A 9 ASN : amide:sc= -9.46! C(o=-9.5!,f=-11!) USER MOD Single : A 12 GLN : amide:sc= -1.97! C(o=-2!,f=-3!) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.362 F(o=-2.3!,f=-0.36) USER MOD Single : A 19 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0402) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 60:sc= 1.26 USER MOD Single : A 32 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0673) USER MOD Single : A 33 ASN : amide:sc= -0.337 X(o=-0.34,f=-0.58) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 37 SER OG : rot -25:sc= 0.31 USER MOD Single : A 38 SER OG : rot -147:sc= 1.28 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 80:sc= 1.26 USER MOD Single : A 52 LYS NZ :NH3+ -155:sc= -0.71 (180deg=-1.06) USER MOD Single : A 62 ASN : amide:sc= -4.62! C(o=-4.6!,f=-11!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 65 ASN : amide:sc= 1.17 K(o=1.2,f=-0.34) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 170:sc= 1.24 (180deg=1.23) USER MOD Single : A 82 SER OG : rot 154:sc= 1.21 USER MOD Single : A 83 THR OG1 : rot 14:sc= 0.914 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -100:sc= 0.0199 USER MOD Single : A 89 SER OG : rot 180:sc= 0.00501 USER MOD Single : A 91 ASN : amide:sc= -0.763! C(o=-0.76!,f=-6.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.419 0.251 4.009 1.00 1.70 N ATOM 2 CA MET A 1 12.143 -0.363 4.434 1.00 1.61 C ATOM 3 C MET A 1 12.025 -0.428 5.936 1.00 0.88 C ATOM 4 O MET A 1 12.979 -0.710 6.657 1.00 1.16 O ATOM 5 CB MET A 1 11.983 -1.774 3.856 1.00 2.50 C ATOM 6 CG MET A 1 10.802 -2.545 4.433 1.00 2.77 C ATOM 7 SD MET A 1 9.213 -1.754 4.106 1.00 2.91 S ATOM 8 CE MET A 1 8.150 -2.694 5.202 1.00 2.61 C ATOM 0 H1 MET A 1 13.455 0.293 2.970 1.00 1.70 H new ATOM 0 H2 MET A 1 13.487 1.213 4.397 1.00 1.70 H new ATOM 0 H3 MET A 1 14.213 -0.321 4.360 1.00 1.70 H new ATOM 0 HA MET A 1 11.349 0.276 4.047 1.00 1.61 H new ATOM 0 HB2 MET A 1 11.865 -1.702 2.775 1.00 2.50 H new ATOM 0 HB3 MET A 1 12.898 -2.338 4.040 1.00 2.50 H new ATOM 0 HG2 MET A 1 10.793 -3.551 4.014 1.00 2.77 H new ATOM 0 HG3 MET A 1 10.935 -2.649 5.510 1.00 2.77 H new ATOM 0 HE1 MET A 1 7.165 -2.229 5.241 1.00 2.61 H new ATOM 0 HE2 MET A 1 8.055 -3.714 4.830 1.00 2.61 H new ATOM 0 HE3 MET A 1 8.583 -2.711 6.202 1.00 2.61 H new ATOM 20 N THR A 2 10.829 -0.125 6.368 1.00 0.65 N ATOM 21 CA THR A 2 10.383 -0.339 7.713 1.00 1.13 C ATOM 22 C THR A 2 8.875 -0.391 7.648 1.00 1.10 C ATOM 23 O THR A 2 8.297 0.069 6.661 1.00 1.86 O ATOM 24 CB THR A 2 10.863 0.776 8.675 1.00 1.75 C ATOM 25 OG1 THR A 2 10.248 0.625 9.955 1.00 2.36 O ATOM 26 CG2 THR A 2 10.553 2.160 8.120 1.00 2.63 C ATOM 0 H THR A 2 10.116 0.292 5.769 1.00 0.65 H new ATOM 0 HA THR A 2 10.801 -1.263 8.112 1.00 1.13 H new ATOM 0 HB THR A 2 11.944 0.681 8.777 1.00 1.75 H new ATOM 0 HG1 THR A 2 10.561 1.335 10.554 1.00 2.36 H new ATOM 0 HG21 THR A 2 10.903 2.919 8.819 1.00 2.63 H new ATOM 0 HG22 THR A 2 11.057 2.289 7.162 1.00 2.63 H new ATOM 0 HG23 THR A 2 9.477 2.263 7.981 1.00 2.63 H new ATOM 34 N CYS A 3 8.223 -0.941 8.650 1.00 0.81 N ATOM 35 CA CYS A 3 6.771 -1.011 8.629 1.00 0.69 C ATOM 36 C CYS A 3 6.188 0.392 8.833 1.00 0.65 C ATOM 37 O CYS A 3 4.982 0.570 9.000 1.00 0.79 O ATOM 38 CB CYS A 3 6.263 -1.996 9.683 1.00 0.76 C ATOM 39 SG CYS A 3 4.601 -2.671 9.338 1.00 0.70 S ATOM 0 H CYS A 3 8.663 -1.341 9.479 1.00 0.81 H new ATOM 0 HA CYS A 3 6.439 -1.381 7.659 1.00 0.69 H new ATOM 0 HB2 CYS A 3 6.969 -2.822 9.762 1.00 0.76 H new ATOM 0 HB3 CYS A 3 6.246 -1.497 10.652 1.00 0.76 H new ATOM 44 N GLY A 4 7.075 1.385 8.788 1.00 0.57 N ATOM 45 CA GLY A 4 6.671 2.773 8.802 1.00 0.56 C ATOM 46 C GLY A 4 6.811 3.377 7.421 1.00 0.51 C ATOM 47 O GLY A 4 6.238 4.423 7.119 1.00 0.53 O ATOM 0 H GLY A 4 8.084 1.243 8.741 1.00 0.57 H new ATOM 0 HA2 GLY A 4 5.637 2.854 9.138 1.00 0.56 H new ATOM 0 HA3 GLY A 4 7.282 3.329 9.513 1.00 0.56 H new ATOM 51 N GLN A 5 7.573 2.690 6.575 1.00 0.52 N ATOM 52 CA GLN A 5 7.719 3.077 5.180 1.00 0.51 C ATOM 53 C GLN A 5 6.414 2.790 4.456 1.00 0.46 C ATOM 54 O GLN A 5 5.909 3.618 3.700 1.00 0.52 O ATOM 55 CB GLN A 5 8.870 2.299 4.530 1.00 0.60 C ATOM 56 CG GLN A 5 9.112 2.646 3.068 1.00 0.62 C ATOM 57 CD GLN A 5 10.246 1.848 2.451 1.00 0.81 C ATOM 58 OE1 GLN A 5 11.405 2.260 2.496 1.00 1.25 O ATOM 59 NE2 GLN A 5 9.931 0.695 1.873 1.00 0.96 N ATOM 0 H GLN A 5 8.101 1.857 6.836 1.00 0.52 H new ATOM 0 HA GLN A 5 7.950 4.140 5.115 1.00 0.51 H new ATOM 0 HB2 GLN A 5 9.784 2.488 5.093 1.00 0.60 H new ATOM 0 HB3 GLN A 5 8.662 1.232 4.609 1.00 0.60 H new ATOM 0 HG2 GLN A 5 8.198 2.467 2.501 1.00 0.62 H new ATOM 0 HG3 GLN A 5 9.336 3.710 2.985 1.00 0.62 H new ATOM 0 HE21 GLN A 5 8.960 0.383 1.853 1.00 0.96 H new ATOM 0 HE22 GLN A 5 10.660 0.121 1.449 1.00 0.96 H new ATOM 68 N VAL A 6 5.864 1.610 4.715 1.00 0.43 N ATOM 69 CA VAL A 6 4.557 1.243 4.181 1.00 0.44 C ATOM 70 C VAL A 6 3.474 2.137 4.776 1.00 0.44 C ATOM 71 O VAL A 6 2.474 2.442 4.127 1.00 0.49 O ATOM 72 CB VAL A 6 4.227 -0.236 4.468 1.00 0.49 C ATOM 73 CG1 VAL A 6 2.785 -0.564 4.118 1.00 1.02 C ATOM 74 CG2 VAL A 6 5.159 -1.136 3.692 1.00 1.12 C ATOM 0 H VAL A 6 6.302 0.891 5.291 1.00 0.43 H new ATOM 0 HA VAL A 6 4.589 1.382 3.100 1.00 0.44 H new ATOM 0 HB VAL A 6 4.362 -0.405 5.536 1.00 0.49 H new ATOM 0 HG11 VAL A 6 2.588 -1.614 4.333 1.00 1.02 H new ATOM 0 HG12 VAL A 6 2.116 0.059 4.711 1.00 1.02 H new ATOM 0 HG13 VAL A 6 2.615 -0.373 3.058 1.00 1.02 H new ATOM 0 HG21 VAL A 6 4.917 -2.178 3.902 1.00 1.12 H new ATOM 0 HG22 VAL A 6 5.045 -0.945 2.625 1.00 1.12 H new ATOM 0 HG23 VAL A 6 6.189 -0.936 3.988 1.00 1.12 H new ATOM 84 N GLN A 7 3.682 2.566 6.016 1.00 0.47 N ATOM 85 CA GLN A 7 2.786 3.534 6.628 1.00 0.54 C ATOM 86 C GLN A 7 2.768 4.813 5.810 1.00 0.58 C ATOM 87 O GLN A 7 1.719 5.381 5.568 1.00 0.70 O ATOM 88 CB GLN A 7 3.187 3.837 8.068 1.00 0.66 C ATOM 89 CG GLN A 7 2.647 2.838 9.072 1.00 0.98 C ATOM 90 CD GLN A 7 3.078 3.159 10.486 1.00 1.27 C ATOM 91 OE1 GLN A 7 4.109 2.685 10.952 1.00 1.97 O ATOM 92 NE2 GLN A 7 2.297 3.977 11.175 1.00 1.69 N ATOM 0 H GLN A 7 4.454 2.262 6.609 1.00 0.47 H new ATOM 0 HA GLN A 7 1.786 3.101 6.646 1.00 0.54 H new ATOM 0 HB2 GLN A 7 4.275 3.857 8.137 1.00 0.66 H new ATOM 0 HB3 GLN A 7 2.833 4.833 8.333 1.00 0.66 H new ATOM 0 HG2 GLN A 7 1.558 2.825 9.020 1.00 0.98 H new ATOM 0 HG3 GLN A 7 2.990 1.838 8.808 1.00 0.98 H new ATOM 0 HE21 GLN A 7 1.448 4.350 10.750 1.00 1.69 H new ATOM 0 HE22 GLN A 7 2.545 4.235 12.130 1.00 1.69 H new ATOM 101 N GLY A 8 3.924 5.243 5.340 1.00 0.60 N ATOM 102 CA GLY A 8 3.971 6.435 4.515 1.00 0.70 C ATOM 103 C GLY A 8 3.230 6.262 3.200 1.00 0.66 C ATOM 104 O GLY A 8 3.023 7.225 2.468 1.00 0.82 O ATOM 0 H GLY A 8 4.825 4.796 5.510 1.00 0.60 H new ATOM 0 HA2 GLY A 8 3.538 7.271 5.065 1.00 0.70 H new ATOM 0 HA3 GLY A 8 5.011 6.691 4.311 1.00 0.70 H new ATOM 108 N ASN A 9 2.844 5.027 2.903 1.00 0.58 N ATOM 109 CA ASN A 9 1.963 4.733 1.780 1.00 0.63 C ATOM 110 C ASN A 9 0.508 4.808 2.238 1.00 0.62 C ATOM 111 O ASN A 9 -0.247 5.700 1.845 1.00 0.78 O ATOM 112 CB ASN A 9 2.266 3.324 1.228 1.00 0.75 C ATOM 113 CG ASN A 9 1.392 2.917 0.045 1.00 1.30 C ATOM 114 OD1 ASN A 9 0.237 3.309 -0.070 1.00 1.86 O ATOM 115 ND2 ASN A 9 1.945 2.106 -0.841 1.00 1.86 N ATOM 0 H ASN A 9 3.132 4.204 3.432 1.00 0.58 H new ATOM 0 HA ASN A 9 2.131 5.466 0.991 1.00 0.63 H new ATOM 0 HB2 ASN A 9 3.312 3.282 0.925 1.00 0.75 H new ATOM 0 HB3 ASN A 9 2.137 2.596 2.029 1.00 0.75 H new ATOM 0 HD21 ASN A 9 1.407 1.789 -1.648 1.00 1.86 H new ATOM 0 HD22 ASN A 9 2.909 1.797 -0.717 1.00 1.86 H new ATOM 122 N LEU A 10 0.146 3.895 3.128 1.00 0.56 N ATOM 123 CA LEU A 10 -1.250 3.648 3.456 1.00 0.66 C ATOM 124 C LEU A 10 -1.776 4.547 4.575 1.00 0.65 C ATOM 125 O LEU A 10 -2.984 4.664 4.753 1.00 0.72 O ATOM 126 CB LEU A 10 -1.419 2.175 3.829 1.00 0.89 C ATOM 127 CG LEU A 10 -1.136 1.201 2.688 1.00 1.00 C ATOM 128 CD1 LEU A 10 -1.296 -0.233 3.147 1.00 1.45 C ATOM 129 CD2 LEU A 10 -2.051 1.487 1.513 1.00 1.73 C ATOM 0 H LEU A 10 0.806 3.309 3.639 1.00 0.56 H new ATOM 0 HA LEU A 10 -1.843 3.890 2.574 1.00 0.66 H new ATOM 0 HB2 LEU A 10 -0.754 1.945 4.661 1.00 0.89 H new ATOM 0 HB3 LEU A 10 -2.438 2.016 4.182 1.00 0.89 H new ATOM 0 HG LEU A 10 -0.103 1.340 2.370 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -1.089 -0.906 2.315 1.00 1.45 H new ATOM 0 HD12 LEU A 10 -0.598 -0.435 3.960 1.00 1.45 H new ATOM 0 HD13 LEU A 10 -2.316 -0.391 3.497 1.00 1.45 H new ATOM 0 HD21 LEU A 10 -1.838 0.785 0.707 1.00 1.73 H new ATOM 0 HD22 LEU A 10 -3.089 1.377 1.825 1.00 1.73 H new ATOM 0 HD23 LEU A 10 -1.884 2.505 1.161 1.00 1.73 H new ATOM 141 N ALA A 11 -0.889 5.201 5.313 1.00 0.62 N ATOM 142 CA ALA A 11 -1.318 6.047 6.428 1.00 0.69 C ATOM 143 C ALA A 11 -1.848 7.388 5.931 1.00 0.63 C ATOM 144 O ALA A 11 -2.541 8.098 6.658 1.00 0.72 O ATOM 145 CB ALA A 11 -0.185 6.261 7.425 1.00 0.77 C ATOM 0 H ALA A 11 0.120 5.166 5.166 1.00 0.62 H new ATOM 0 HA ALA A 11 -2.129 5.527 6.938 1.00 0.69 H new ATOM 0 HB1 ALA A 11 -0.534 6.893 8.242 1.00 0.77 H new ATOM 0 HB2 ALA A 11 0.136 5.298 7.823 1.00 0.77 H new ATOM 0 HB3 ALA A 11 0.654 6.745 6.924 1.00 0.77 H new ATOM 151 N GLN A 12 -1.528 7.732 4.691 1.00 0.56 N ATOM 152 CA GLN A 12 -2.014 8.979 4.114 1.00 0.53 C ATOM 153 C GLN A 12 -3.395 8.774 3.526 1.00 0.52 C ATOM 154 O GLN A 12 -4.283 9.611 3.682 1.00 0.60 O ATOM 155 CB GLN A 12 -1.061 9.498 3.029 1.00 0.56 C ATOM 156 CG GLN A 12 0.396 9.537 3.448 1.00 0.52 C ATOM 157 CD GLN A 12 1.290 10.189 2.412 1.00 1.30 C ATOM 158 OE1 GLN A 12 1.793 9.535 1.506 1.00 2.18 O ATOM 159 NE2 GLN A 12 1.506 11.486 2.550 1.00 1.88 N ATOM 0 H GLN A 12 -0.941 7.173 4.071 1.00 0.56 H new ATOM 0 HA GLN A 12 -2.063 9.722 4.910 1.00 0.53 H new ATOM 0 HB2 GLN A 12 -1.156 8.867 2.145 1.00 0.56 H new ATOM 0 HB3 GLN A 12 -1.371 10.502 2.739 1.00 0.56 H new ATOM 0 HG2 GLN A 12 0.484 10.079 4.389 1.00 0.52 H new ATOM 0 HG3 GLN A 12 0.743 8.520 3.632 1.00 0.52 H new ATOM 0 HE21 GLN A 12 1.069 11.997 3.317 1.00 1.88 H new ATOM 0 HE22 GLN A 12 2.109 11.976 1.889 1.00 1.88 H new ATOM 168 N CYS A 13 -3.576 7.648 2.863 1.00 0.52 N ATOM 169 CA CYS A 13 -4.845 7.337 2.241 1.00 0.56 C ATOM 170 C CYS A 13 -5.763 6.586 3.176 1.00 0.53 C ATOM 171 O CYS A 13 -6.906 6.335 2.825 1.00 0.56 O ATOM 172 CB CYS A 13 -4.626 6.554 0.953 1.00 0.69 C ATOM 173 SG CYS A 13 -4.434 7.621 -0.502 1.00 1.23 S ATOM 0 H CYS A 13 -2.858 6.934 2.742 1.00 0.52 H new ATOM 0 HA CYS A 13 -5.334 8.281 2.000 1.00 0.56 H new ATOM 0 HB2 CYS A 13 -3.738 5.931 1.060 1.00 0.69 H new ATOM 0 HB3 CYS A 13 -5.470 5.882 0.795 1.00 0.69 H new ATOM 178 N ILE A 14 -5.275 6.258 4.371 1.00 0.58 N ATOM 179 CA ILE A 14 -6.077 5.570 5.369 1.00 0.67 C ATOM 180 C ILE A 14 -7.372 6.340 5.662 1.00 0.67 C ATOM 181 O ILE A 14 -8.358 5.761 6.103 1.00 0.77 O ATOM 182 CB ILE A 14 -5.279 5.366 6.678 1.00 0.80 C ATOM 183 CG1 ILE A 14 -5.918 4.255 7.498 1.00 0.98 C ATOM 184 CG2 ILE A 14 -5.202 6.658 7.484 1.00 1.04 C ATOM 185 CD1 ILE A 14 -5.145 3.885 8.745 1.00 1.11 C ATOM 0 H ILE A 14 -4.321 6.461 4.669 1.00 0.58 H new ATOM 0 HA ILE A 14 -6.337 4.593 4.962 1.00 0.67 H new ATOM 0 HB ILE A 14 -4.259 5.079 6.423 1.00 0.80 H new ATOM 0 HG12 ILE A 14 -6.924 4.562 7.785 1.00 0.98 H new ATOM 0 HG13 ILE A 14 -6.022 3.369 6.871 1.00 0.98 H new ATOM 0 HG21 ILE A 14 -4.635 6.483 8.398 1.00 1.04 H new ATOM 0 HG22 ILE A 14 -4.707 7.427 6.892 1.00 1.04 H new ATOM 0 HG23 ILE A 14 -6.209 6.988 7.739 1.00 1.04 H new ATOM 0 HD11 ILE A 14 -5.667 3.087 9.273 1.00 1.11 H new ATOM 0 HD12 ILE A 14 -4.147 3.545 8.467 1.00 1.11 H new ATOM 0 HD13 ILE A 14 -5.064 4.757 9.395 1.00 1.11 H new ATOM 197 N GLY A 15 -7.358 7.650 5.408 1.00 0.66 N ATOM 198 CA GLY A 15 -8.575 8.441 5.523 1.00 0.76 C ATOM 199 C GLY A 15 -9.636 8.003 4.536 1.00 0.86 C ATOM 200 O GLY A 15 -10.707 7.544 4.923 1.00 1.45 O ATOM 0 H GLY A 15 -6.530 8.175 5.126 1.00 0.66 H new ATOM 0 HA2 GLY A 15 -8.967 8.357 6.537 1.00 0.76 H new ATOM 0 HA3 GLY A 15 -8.340 9.493 5.359 1.00 0.76 H new ATOM 204 N PHE A 16 -9.332 8.173 3.257 1.00 0.61 N ATOM 205 CA PHE A 16 -10.178 7.690 2.170 1.00 0.60 C ATOM 206 C PHE A 16 -10.431 6.190 2.319 1.00 0.60 C ATOM 207 O PHE A 16 -11.525 5.697 2.064 1.00 0.69 O ATOM 208 CB PHE A 16 -9.479 7.996 0.843 1.00 0.59 C ATOM 209 CG PHE A 16 -9.958 7.185 -0.335 1.00 0.62 C ATOM 210 CD1 PHE A 16 -11.057 7.589 -1.073 1.00 0.73 C ATOM 211 CD2 PHE A 16 -9.299 6.022 -0.709 1.00 0.71 C ATOM 212 CE1 PHE A 16 -11.490 6.855 -2.161 1.00 0.86 C ATOM 213 CE2 PHE A 16 -9.729 5.282 -1.794 1.00 0.85 C ATOM 214 CZ PHE A 16 -10.825 5.701 -2.522 1.00 0.91 C ATOM 0 H PHE A 16 -8.489 8.652 2.941 1.00 0.61 H new ATOM 0 HA PHE A 16 -11.146 8.191 2.197 1.00 0.60 H new ATOM 0 HB2 PHE A 16 -9.613 9.053 0.615 1.00 0.59 H new ATOM 0 HB3 PHE A 16 -8.409 7.830 0.967 1.00 0.59 H new ATOM 0 HD1 PHE A 16 -11.583 8.490 -0.795 1.00 0.73 H new ATOM 0 HD2 PHE A 16 -8.439 5.691 -0.145 1.00 0.71 H new ATOM 0 HE1 PHE A 16 -12.348 7.184 -2.728 1.00 0.86 H new ATOM 0 HE2 PHE A 16 -9.209 4.377 -2.072 1.00 0.85 H new ATOM 0 HZ PHE A 16 -11.161 5.127 -3.372 1.00 0.91 H new ATOM 224 N LEU A 17 -9.391 5.498 2.736 1.00 0.56 N ATOM 225 CA LEU A 17 -9.422 4.073 3.016 1.00 0.67 C ATOM 226 C LEU A 17 -10.508 3.729 4.040 1.00 0.79 C ATOM 227 O LEU A 17 -11.223 2.739 3.895 1.00 0.87 O ATOM 228 CB LEU A 17 -8.042 3.683 3.547 1.00 0.74 C ATOM 229 CG LEU A 17 -7.135 2.910 2.588 1.00 0.79 C ATOM 230 CD1 LEU A 17 -7.189 3.491 1.182 1.00 0.96 C ATOM 231 CD2 LEU A 17 -5.704 2.909 3.104 1.00 1.43 C ATOM 0 H LEU A 17 -8.476 5.920 2.894 1.00 0.56 H new ATOM 0 HA LEU A 17 -9.659 3.519 2.107 1.00 0.67 H new ATOM 0 HB2 LEU A 17 -7.523 4.593 3.849 1.00 0.74 H new ATOM 0 HB3 LEU A 17 -8.180 3.082 4.446 1.00 0.74 H new ATOM 0 HG LEU A 17 -7.497 1.883 2.539 1.00 0.79 H new ATOM 0 HD11 LEU A 17 -6.533 2.918 0.526 1.00 0.96 H new ATOM 0 HD12 LEU A 17 -8.211 3.441 0.807 1.00 0.96 H new ATOM 0 HD13 LEU A 17 -6.861 4.530 1.205 1.00 0.96 H new ATOM 0 HD21 LEU A 17 -5.068 2.356 2.413 1.00 1.43 H new ATOM 0 HD22 LEU A 17 -5.346 3.935 3.184 1.00 1.43 H new ATOM 0 HD23 LEU A 17 -5.671 2.435 4.085 1.00 1.43 H new ATOM 243 N GLN A 18 -10.624 4.556 5.065 1.00 0.87 N ATOM 244 CA GLN A 18 -11.583 4.335 6.130 1.00 1.07 C ATOM 245 C GLN A 18 -12.934 4.983 5.827 1.00 1.09 C ATOM 246 O GLN A 18 -13.952 4.300 5.728 1.00 1.20 O ATOM 247 CB GLN A 18 -11.023 4.901 7.433 1.00 1.25 C ATOM 248 CG GLN A 18 -12.080 5.186 8.477 1.00 1.08 C ATOM 249 CD GLN A 18 -11.520 5.902 9.684 1.00 1.33 C ATOM 250 OE1 GLN A 18 -11.108 5.139 10.676 1.00 1.73 O flip ATOM 251 NE2 GLN A 18 -11.466 7.131 9.722 1.00 2.00 N flip ATOM 0 H GLN A 18 -10.057 5.396 5.181 1.00 0.87 H new ATOM 0 HA GLN A 18 -11.747 3.261 6.220 1.00 1.07 H new ATOM 0 HB2 GLN A 18 -10.300 4.196 7.844 1.00 1.25 H new ATOM 0 HB3 GLN A 18 -10.482 5.822 7.216 1.00 1.25 H new ATOM 0 HG2 GLN A 18 -12.871 5.791 8.034 1.00 1.08 H new ATOM 0 HG3 GLN A 18 -12.536 4.248 8.794 1.00 1.08 H new ATOM 0 HE21 GLN A 18 -11.797 7.681 8.929 1.00 2.00 H new ATOM 0 HE22 GLN A 18 -11.090 7.600 10.546 1.00 2.00 H new ATOM 260 N LYS A 19 -12.937 6.303 5.679 1.00 1.06 N ATOM 261 CA LYS A 19 -14.176 7.059 5.643 1.00 1.21 C ATOM 262 C LYS A 19 -14.663 7.282 4.214 1.00 1.34 C ATOM 263 O LYS A 19 -15.846 7.548 3.986 1.00 2.08 O ATOM 264 CB LYS A 19 -13.955 8.396 6.342 1.00 1.41 C ATOM 265 CG LYS A 19 -15.231 9.074 6.797 1.00 1.98 C ATOM 266 CD LYS A 19 -15.971 8.241 7.836 1.00 2.69 C ATOM 267 CE LYS A 19 -15.100 7.942 9.051 1.00 3.29 C ATOM 268 NZ LYS A 19 -14.699 9.178 9.776 1.00 4.09 N ATOM 0 H LYS A 19 -12.094 6.869 5.582 1.00 1.06 H new ATOM 0 HA LYS A 19 -14.948 6.488 6.158 1.00 1.21 H new ATOM 0 HB2 LYS A 19 -13.311 8.239 7.207 1.00 1.41 H new ATOM 0 HB3 LYS A 19 -13.423 9.064 5.665 1.00 1.41 H new ATOM 0 HG2 LYS A 19 -14.994 10.052 7.216 1.00 1.98 H new ATOM 0 HG3 LYS A 19 -15.879 9.244 5.938 1.00 1.98 H new ATOM 0 HD2 LYS A 19 -16.868 8.772 8.154 1.00 2.69 H new ATOM 0 HD3 LYS A 19 -16.298 7.304 7.384 1.00 2.69 H new ATOM 0 HE2 LYS A 19 -15.642 7.284 9.731 1.00 3.29 H new ATOM 0 HE3 LYS A 19 -14.207 7.405 8.732 1.00 3.29 H new ATOM 0 HZ1 LYS A 19 -14.166 8.921 10.631 1.00 4.09 H new ATOM 0 HZ2 LYS A 19 -14.102 9.764 9.159 1.00 4.09 H new ATOM 0 HZ3 LYS A 19 -15.549 9.713 10.046 1.00 4.09 H new ATOM 282 N GLY A 20 -13.754 7.174 3.258 1.00 1.18 N ATOM 283 CA GLY A 20 -14.110 7.400 1.871 1.00 1.47 C ATOM 284 C GLY A 20 -14.133 8.872 1.511 1.00 1.29 C ATOM 285 O GLY A 20 -15.148 9.548 1.687 1.00 1.99 O ATOM 0 H GLY A 20 -12.775 6.934 3.416 1.00 1.18 H new ATOM 0 HA2 GLY A 20 -13.398 6.883 1.228 1.00 1.47 H new ATOM 0 HA3 GLY A 20 -15.090 6.966 1.675 1.00 1.47 H new ATOM 289 N GLY A 21 -13.011 9.374 1.012 1.00 1.10 N ATOM 290 CA GLY A 21 -12.931 10.761 0.599 1.00 1.37 C ATOM 291 C GLY A 21 -12.219 10.916 -0.720 1.00 1.26 C ATOM 292 O GLY A 21 -12.709 10.468 -1.759 1.00 1.79 O ATOM 0 H GLY A 21 -12.150 8.841 0.886 1.00 1.10 H new ATOM 0 HA2 GLY A 21 -13.936 11.174 0.519 1.00 1.37 H new ATOM 0 HA3 GLY A 21 -12.409 11.337 1.363 1.00 1.37 H new ATOM 296 N VAL A 22 -11.050 11.529 -0.679 1.00 1.14 N ATOM 297 CA VAL A 22 -10.278 11.771 -1.883 1.00 1.00 C ATOM 298 C VAL A 22 -8.840 11.300 -1.704 1.00 0.82 C ATOM 299 O VAL A 22 -8.352 11.182 -0.577 1.00 0.87 O ATOM 300 CB VAL A 22 -10.289 13.266 -2.265 1.00 1.11 C ATOM 301 CG1 VAL A 22 -11.711 13.747 -2.504 1.00 1.92 C ATOM 302 CG2 VAL A 22 -9.612 14.112 -1.195 1.00 1.28 C ATOM 0 H VAL A 22 -10.614 11.869 0.178 1.00 1.14 H new ATOM 0 HA VAL A 22 -10.744 11.204 -2.689 1.00 1.00 H new ATOM 0 HB VAL A 22 -9.724 13.379 -3.190 1.00 1.11 H new ATOM 0 HG11 VAL A 22 -11.698 14.803 -2.772 1.00 1.92 H new ATOM 0 HG12 VAL A 22 -12.158 13.172 -3.315 1.00 1.92 H new ATOM 0 HG13 VAL A 22 -12.299 13.611 -1.596 1.00 1.92 H new ATOM 0 HG21 VAL A 22 -9.635 15.161 -1.492 1.00 1.28 H new ATOM 0 HG22 VAL A 22 -10.139 13.991 -0.248 1.00 1.28 H new ATOM 0 HG23 VAL A 22 -8.577 13.791 -1.078 1.00 1.28 H new ATOM 312 N VAL A 23 -8.170 11.028 -2.811 1.00 0.71 N ATOM 313 CA VAL A 23 -6.796 10.559 -2.775 1.00 0.58 C ATOM 314 C VAL A 23 -5.850 11.655 -3.249 1.00 0.54 C ATOM 315 O VAL A 23 -5.900 12.077 -4.404 1.00 0.58 O ATOM 316 CB VAL A 23 -6.607 9.298 -3.637 1.00 0.58 C ATOM 317 CG1 VAL A 23 -5.153 8.852 -3.648 1.00 0.51 C ATOM 318 CG2 VAL A 23 -7.498 8.185 -3.121 1.00 0.69 C ATOM 0 H VAL A 23 -8.558 11.125 -3.749 1.00 0.71 H new ATOM 0 HA VAL A 23 -6.563 10.302 -1.742 1.00 0.58 H new ATOM 0 HB VAL A 23 -6.889 9.537 -4.662 1.00 0.58 H new ATOM 0 HG11 VAL A 23 -5.051 7.959 -4.265 1.00 0.51 H new ATOM 0 HG12 VAL A 23 -4.531 9.649 -4.057 1.00 0.51 H new ATOM 0 HG13 VAL A 23 -4.833 8.628 -2.630 1.00 0.51 H new ATOM 0 HG21 VAL A 23 -7.360 7.295 -3.735 1.00 0.69 H new ATOM 0 HG22 VAL A 23 -7.235 7.958 -2.088 1.00 0.69 H new ATOM 0 HG23 VAL A 23 -8.540 8.501 -3.169 1.00 0.69 H new ATOM 328 N PRO A 24 -4.995 12.146 -2.349 1.00 0.54 N ATOM 329 CA PRO A 24 -4.054 13.217 -2.642 1.00 0.58 C ATOM 330 C PRO A 24 -2.772 12.701 -3.295 1.00 0.55 C ATOM 331 O PRO A 24 -2.365 11.557 -3.070 1.00 0.47 O ATOM 332 CB PRO A 24 -3.744 13.809 -1.254 1.00 0.67 C ATOM 333 CG PRO A 24 -4.526 12.992 -0.266 1.00 0.81 C ATOM 334 CD PRO A 24 -4.873 11.710 -0.961 1.00 0.59 C ATOM 0 HA PRO A 24 -4.466 13.938 -3.348 1.00 0.58 H new ATOM 0 HB2 PRO A 24 -2.676 13.761 -1.040 1.00 0.67 H new ATOM 0 HB3 PRO A 24 -4.032 14.859 -1.205 1.00 0.67 H new ATOM 0 HG2 PRO A 24 -3.938 12.801 0.632 1.00 0.81 H new ATOM 0 HG3 PRO A 24 -5.426 13.520 0.049 1.00 0.81 H new ATOM 0 HD2 PRO A 24 -4.097 10.955 -0.836 1.00 0.59 H new ATOM 0 HD3 PRO A 24 -5.801 11.279 -0.585 1.00 0.59 H new ATOM 342 N PRO A 25 -2.100 13.545 -4.101 1.00 0.65 N ATOM 343 CA PRO A 25 -0.824 13.190 -4.733 1.00 0.67 C ATOM 344 C PRO A 25 0.265 12.911 -3.700 1.00 0.66 C ATOM 345 O PRO A 25 1.312 12.347 -4.017 1.00 0.71 O ATOM 346 CB PRO A 25 -0.468 14.422 -5.571 1.00 0.81 C ATOM 347 CG PRO A 25 -1.286 15.533 -5.007 1.00 1.03 C ATOM 348 CD PRO A 25 -2.539 14.903 -4.469 1.00 0.81 C ATOM 0 HA PRO A 25 -0.904 12.278 -5.325 1.00 0.67 H new ATOM 0 HB2 PRO A 25 0.597 14.646 -5.507 1.00 0.81 H new ATOM 0 HB3 PRO A 25 -0.697 14.261 -6.624 1.00 0.81 H new ATOM 0 HG2 PRO A 25 -0.743 16.054 -4.218 1.00 1.03 H new ATOM 0 HG3 PRO A 25 -1.520 16.271 -5.774 1.00 1.03 H new ATOM 0 HD2 PRO A 25 -2.927 15.448 -3.608 1.00 0.81 H new ATOM 0 HD3 PRO A 25 -3.332 14.881 -5.216 1.00 0.81 H new ATOM 356 N SER A 26 -0.013 13.284 -2.463 1.00 0.68 N ATOM 357 CA SER A 26 0.894 13.059 -1.352 1.00 0.73 C ATOM 358 C SER A 26 0.916 11.578 -1.043 1.00 0.65 C ATOM 359 O SER A 26 1.961 10.929 -1.100 1.00 0.68 O ATOM 360 CB SER A 26 0.403 13.831 -0.133 1.00 0.83 C ATOM 361 OG SER A 26 0.042 15.153 -0.488 1.00 0.91 O ATOM 0 H SER A 26 -0.879 13.754 -2.200 1.00 0.68 H new ATOM 0 HA SER A 26 1.897 13.400 -1.609 1.00 0.73 H new ATOM 0 HB2 SER A 26 -0.454 13.320 0.306 1.00 0.83 H new ATOM 0 HB3 SER A 26 1.184 13.854 0.627 1.00 0.83 H new ATOM 0 HG SER A 26 -0.272 15.631 0.308 1.00 0.91 H new ATOM 367 N CYS A 27 -0.267 11.060 -0.746 1.00 0.58 N ATOM 368 CA CYS A 27 -0.474 9.635 -0.583 1.00 0.55 C ATOM 369 C CYS A 27 0.026 8.895 -1.814 1.00 0.47 C ATOM 370 O CYS A 27 0.714 7.884 -1.708 1.00 0.48 O ATOM 371 CB CYS A 27 -1.957 9.355 -0.384 1.00 0.57 C ATOM 372 SG CYS A 27 -2.433 7.646 -0.784 1.00 0.74 S ATOM 0 H CYS A 27 -1.109 11.620 -0.612 1.00 0.58 H new ATOM 0 HA CYS A 27 0.080 9.290 0.290 1.00 0.55 H new ATOM 0 HB2 CYS A 27 -2.222 9.564 0.652 1.00 0.57 H new ATOM 0 HB3 CYS A 27 -2.534 10.039 -1.005 1.00 0.57 H new ATOM 377 N CYS A 28 -0.302 9.430 -2.989 1.00 0.42 N ATOM 378 CA CYS A 28 0.113 8.820 -4.242 1.00 0.40 C ATOM 379 C CYS A 28 1.627 8.765 -4.376 1.00 0.45 C ATOM 380 O CYS A 28 2.166 7.905 -5.077 1.00 0.50 O ATOM 381 CB CYS A 28 -0.506 9.539 -5.433 1.00 0.45 C ATOM 382 SG CYS A 28 -2.229 9.054 -5.728 1.00 1.40 S ATOM 0 H CYS A 28 -0.852 10.282 -3.095 1.00 0.42 H new ATOM 0 HA CYS A 28 -0.251 7.793 -4.232 1.00 0.40 H new ATOM 0 HB2 CYS A 28 -0.460 10.615 -5.266 1.00 0.45 H new ATOM 0 HB3 CYS A 28 0.084 9.329 -6.325 1.00 0.45 H new ATOM 387 N THR A 29 2.314 9.673 -3.706 1.00 0.51 N ATOM 388 CA THR A 29 3.759 9.645 -3.689 1.00 0.58 C ATOM 389 C THR A 29 4.243 8.581 -2.704 1.00 0.54 C ATOM 390 O THR A 29 5.257 7.927 -2.931 1.00 0.56 O ATOM 391 CB THR A 29 4.345 11.021 -3.318 1.00 0.72 C ATOM 392 OG1 THR A 29 3.918 12.004 -4.272 1.00 0.79 O ATOM 393 CG2 THR A 29 5.866 10.982 -3.274 1.00 0.77 C ATOM 0 H THR A 29 1.895 10.433 -3.171 1.00 0.51 H new ATOM 0 HA THR A 29 4.107 9.397 -4.692 1.00 0.58 H new ATOM 0 HB THR A 29 3.981 11.285 -2.325 1.00 0.72 H new ATOM 0 HG1 THR A 29 2.940 12.060 -4.268 1.00 0.79 H new ATOM 0 HG21 THR A 29 6.248 11.968 -3.010 1.00 0.77 H new ATOM 0 HG22 THR A 29 6.190 10.256 -2.529 1.00 0.77 H new ATOM 0 HG23 THR A 29 6.251 10.694 -4.252 1.00 0.77 H new ATOM 401 N GLY A 30 3.492 8.397 -1.620 1.00 0.54 N ATOM 402 CA GLY A 30 3.794 7.342 -0.668 1.00 0.57 C ATOM 403 C GLY A 30 3.581 5.963 -1.267 1.00 0.47 C ATOM 404 O GLY A 30 4.354 5.037 -1.014 1.00 0.51 O ATOM 0 H GLY A 30 2.677 8.963 -1.384 1.00 0.54 H new ATOM 0 HA2 GLY A 30 4.828 7.438 -0.335 1.00 0.57 H new ATOM 0 HA3 GLY A 30 3.163 7.457 0.214 1.00 0.57 H new ATOM 408 N VAL A 31 2.528 5.826 -2.065 1.00 0.41 N ATOM 409 CA VAL A 31 2.289 4.591 -2.797 1.00 0.44 C ATOM 410 C VAL A 31 3.418 4.363 -3.786 1.00 0.39 C ATOM 411 O VAL A 31 3.997 3.280 -3.844 1.00 0.40 O ATOM 412 CB VAL A 31 0.946 4.614 -3.563 1.00 0.56 C ATOM 413 CG1 VAL A 31 0.652 3.250 -4.172 1.00 0.68 C ATOM 414 CG2 VAL A 31 -0.194 5.053 -2.658 1.00 0.65 C ATOM 0 H VAL A 31 1.829 6.553 -2.220 1.00 0.41 H new ATOM 0 HA VAL A 31 2.244 3.783 -2.067 1.00 0.44 H new ATOM 0 HB VAL A 31 1.033 5.341 -4.370 1.00 0.56 H new ATOM 0 HG11 VAL A 31 -0.297 3.287 -4.707 1.00 0.68 H new ATOM 0 HG12 VAL A 31 1.449 2.982 -4.866 1.00 0.68 H new ATOM 0 HG13 VAL A 31 0.593 2.503 -3.380 1.00 0.68 H new ATOM 0 HG21 VAL A 31 -1.126 5.060 -3.224 1.00 0.65 H new ATOM 0 HG22 VAL A 31 -0.282 4.360 -1.822 1.00 0.65 H new ATOM 0 HG23 VAL A 31 0.008 6.055 -2.279 1.00 0.65 H new ATOM 424 N LYS A 32 3.744 5.404 -4.550 1.00 0.40 N ATOM 425 CA LYS A 32 4.847 5.337 -5.498 1.00 0.46 C ATOM 426 C LYS A 32 6.156 5.031 -4.768 1.00 0.44 C ATOM 427 O LYS A 32 7.040 4.372 -5.312 1.00 0.49 O ATOM 428 CB LYS A 32 4.965 6.648 -6.285 1.00 0.58 C ATOM 429 CG LYS A 32 6.096 6.653 -7.309 1.00 1.05 C ATOM 430 CD LYS A 32 5.943 5.533 -8.331 1.00 1.14 C ATOM 431 CE LYS A 32 4.739 5.745 -9.235 1.00 1.31 C ATOM 432 NZ LYS A 32 4.922 6.894 -10.160 1.00 1.54 N ATOM 0 H LYS A 32 3.259 6.301 -4.529 1.00 0.40 H new ATOM 0 HA LYS A 32 4.646 4.532 -6.205 1.00 0.46 H new ATOM 0 HB2 LYS A 32 4.022 6.839 -6.798 1.00 0.58 H new ATOM 0 HB3 LYS A 32 5.118 7.469 -5.584 1.00 0.58 H new ATOM 0 HG2 LYS A 32 6.115 7.614 -7.824 1.00 1.05 H new ATOM 0 HG3 LYS A 32 7.051 6.547 -6.795 1.00 1.05 H new ATOM 0 HD2 LYS A 32 6.846 5.471 -8.939 1.00 1.14 H new ATOM 0 HD3 LYS A 32 5.843 4.580 -7.812 1.00 1.14 H new ATOM 0 HE2 LYS A 32 4.559 4.840 -9.815 1.00 1.31 H new ATOM 0 HE3 LYS A 32 3.853 5.912 -8.623 1.00 1.31 H new ATOM 0 HZ1 LYS A 32 4.149 6.907 -10.855 1.00 1.54 H new ATOM 0 HZ2 LYS A 32 4.914 7.781 -9.617 1.00 1.54 H new ATOM 0 HZ3 LYS A 32 5.831 6.799 -10.656 1.00 1.54 H new ATOM 446 N ASN A 33 6.265 5.513 -3.533 1.00 0.41 N ATOM 447 CA ASN A 33 7.412 5.217 -2.674 1.00 0.44 C ATOM 448 C ASN A 33 7.536 3.717 -2.477 1.00 0.39 C ATOM 449 O ASN A 33 8.585 3.130 -2.706 1.00 0.46 O ATOM 450 CB ASN A 33 7.239 5.883 -1.306 1.00 0.52 C ATOM 451 CG ASN A 33 8.505 5.865 -0.475 1.00 1.19 C ATOM 452 OD1 ASN A 33 8.760 4.924 0.274 1.00 2.11 O ATOM 453 ND2 ASN A 33 9.304 6.913 -0.594 1.00 1.58 N ATOM 0 H ASN A 33 5.566 6.117 -3.100 1.00 0.41 H new ATOM 0 HA ASN A 33 8.311 5.604 -3.155 1.00 0.44 H new ATOM 0 HB2 ASN A 33 6.919 6.915 -1.448 1.00 0.52 H new ATOM 0 HB3 ASN A 33 6.444 5.376 -0.759 1.00 0.52 H new ATOM 0 HD21 ASN A 33 10.167 6.960 -0.053 1.00 1.58 H new ATOM 0 HD22 ASN A 33 9.057 7.674 -1.227 1.00 1.58 H new ATOM 460 N ILE A 34 6.444 3.103 -2.065 1.00 0.36 N ATOM 461 CA ILE A 34 6.397 1.669 -1.849 1.00 0.40 C ATOM 462 C ILE A 34 6.596 0.873 -3.147 1.00 0.48 C ATOM 463 O ILE A 34 6.840 -0.335 -3.129 1.00 0.57 O ATOM 464 CB ILE A 34 5.075 1.321 -1.127 1.00 0.48 C ATOM 465 CG1 ILE A 34 5.159 1.780 0.327 1.00 0.61 C ATOM 466 CG2 ILE A 34 4.716 -0.147 -1.209 1.00 0.65 C ATOM 467 CD1 ILE A 34 6.480 1.452 0.993 1.00 0.58 C ATOM 0 H ILE A 34 5.565 3.583 -1.871 1.00 0.36 H new ATOM 0 HA ILE A 34 7.232 1.374 -1.214 1.00 0.40 H new ATOM 0 HB ILE A 34 4.273 1.851 -1.641 1.00 0.48 H new ATOM 0 HG12 ILE A 34 4.999 2.857 0.369 1.00 0.61 H new ATOM 0 HG13 ILE A 34 4.351 1.315 0.893 1.00 0.61 H new ATOM 0 HG21 ILE A 34 3.778 -0.322 -0.682 1.00 0.65 H new ATOM 0 HG22 ILE A 34 4.605 -0.437 -2.254 1.00 0.65 H new ATOM 0 HG23 ILE A 34 5.506 -0.741 -0.750 1.00 0.65 H new ATOM 0 HD11 ILE A 34 6.466 1.808 2.023 1.00 0.58 H new ATOM 0 HD12 ILE A 34 6.634 0.373 0.984 1.00 0.58 H new ATOM 0 HD13 ILE A 34 7.291 1.939 0.452 1.00 0.58 H new ATOM 479 N LEU A 35 6.519 1.555 -4.272 1.00 0.56 N ATOM 480 CA LEU A 35 6.896 0.963 -5.552 1.00 0.79 C ATOM 481 C LEU A 35 8.384 1.161 -5.836 1.00 0.93 C ATOM 482 O LEU A 35 9.155 0.207 -5.926 1.00 1.31 O ATOM 483 CB LEU A 35 6.091 1.581 -6.701 1.00 1.04 C ATOM 484 CG LEU A 35 4.802 0.858 -7.061 1.00 1.16 C ATOM 485 CD1 LEU A 35 3.706 1.132 -6.044 1.00 1.36 C ATOM 486 CD2 LEU A 35 4.357 1.242 -8.460 1.00 1.93 C ATOM 0 H LEU A 35 6.199 2.522 -4.332 1.00 0.56 H new ATOM 0 HA LEU A 35 6.679 -0.103 -5.485 1.00 0.79 H new ATOM 0 HB2 LEU A 35 5.848 2.611 -6.439 1.00 1.04 H new ATOM 0 HB3 LEU A 35 6.725 1.619 -7.587 1.00 1.04 H new ATOM 0 HG LEU A 35 4.999 -0.214 -7.042 1.00 1.16 H new ATOM 0 HD11 LEU A 35 2.800 0.600 -6.333 1.00 1.36 H new ATOM 0 HD12 LEU A 35 4.029 0.791 -5.060 1.00 1.36 H new ATOM 0 HD13 LEU A 35 3.502 2.202 -6.008 1.00 1.36 H new ATOM 0 HD21 LEU A 35 3.433 0.717 -8.705 1.00 1.93 H new ATOM 0 HD22 LEU A 35 4.186 2.318 -8.505 1.00 1.93 H new ATOM 0 HD23 LEU A 35 5.131 0.967 -9.176 1.00 1.93 H new ATOM 498 N ASN A 36 8.765 2.416 -5.975 1.00 0.89 N ATOM 499 CA ASN A 36 10.120 2.797 -6.381 1.00 1.06 C ATOM 500 C ASN A 36 11.131 2.676 -5.240 1.00 1.01 C ATOM 501 O ASN A 36 12.201 2.086 -5.405 1.00 1.13 O ATOM 502 CB ASN A 36 10.114 4.238 -6.898 1.00 1.21 C ATOM 503 CG ASN A 36 11.483 4.709 -7.347 1.00 1.58 C ATOM 504 OD1 ASN A 36 12.283 5.195 -6.546 1.00 2.45 O ATOM 505 ND2 ASN A 36 11.754 4.593 -8.636 1.00 1.81 N ATOM 0 H ASN A 36 8.146 3.210 -5.811 1.00 0.89 H new ATOM 0 HA ASN A 36 10.427 2.107 -7.167 1.00 1.06 H new ATOM 0 HB2 ASN A 36 9.417 4.317 -7.732 1.00 1.21 H new ATOM 0 HB3 ASN A 36 9.747 4.899 -6.113 1.00 1.21 H new ATOM 0 HD21 ASN A 36 12.652 4.912 -8.999 1.00 1.81 H new ATOM 0 HD22 ASN A 36 11.065 4.185 -9.267 1.00 1.81 H new ATOM 512 N SER A 37 10.786 3.233 -4.088 1.00 0.90 N ATOM 513 CA SER A 37 11.726 3.365 -2.987 1.00 0.98 C ATOM 514 C SER A 37 11.864 2.062 -2.208 1.00 0.84 C ATOM 515 O SER A 37 12.767 1.931 -1.380 1.00 0.94 O ATOM 516 CB SER A 37 11.299 4.498 -2.049 1.00 1.05 C ATOM 517 OG SER A 37 12.271 4.730 -1.040 1.00 1.55 O ATOM 0 H SER A 37 9.856 3.603 -3.892 1.00 0.90 H new ATOM 0 HA SER A 37 12.700 3.605 -3.414 1.00 0.98 H new ATOM 0 HB2 SER A 37 11.145 5.411 -2.625 1.00 1.05 H new ATOM 0 HB3 SER A 37 10.344 4.249 -1.586 1.00 1.05 H new ATOM 0 HG SER A 37 12.789 3.912 -0.891 1.00 1.55 H new ATOM 523 N SER A 38 10.969 1.108 -2.443 1.00 0.67 N ATOM 524 CA SER A 38 11.168 -0.229 -1.915 1.00 0.58 C ATOM 525 C SER A 38 12.282 -0.880 -2.735 1.00 0.67 C ATOM 526 O SER A 38 12.042 -1.471 -3.788 1.00 1.22 O ATOM 527 CB SER A 38 9.873 -1.044 -1.965 1.00 0.54 C ATOM 528 OG SER A 38 9.330 -1.080 -3.273 1.00 1.43 O ATOM 0 H SER A 38 10.115 1.235 -2.986 1.00 0.67 H new ATOM 0 HA SER A 38 11.455 -0.187 -0.864 1.00 0.58 H new ATOM 0 HB2 SER A 38 10.069 -2.060 -1.623 1.00 0.54 H new ATOM 0 HB3 SER A 38 9.144 -0.612 -1.279 1.00 0.54 H new ATOM 0 HG SER A 38 8.352 -1.105 -3.220 1.00 1.43 H new ATOM 534 N ARG A 39 13.508 -0.717 -2.273 1.00 0.87 N ATOM 535 CA ARG A 39 14.658 -0.915 -3.137 1.00 1.08 C ATOM 536 C ARG A 39 15.214 -2.330 -3.088 1.00 0.84 C ATOM 537 O ARG A 39 15.129 -3.074 -4.063 1.00 1.22 O ATOM 538 CB ARG A 39 15.754 0.085 -2.766 1.00 1.40 C ATOM 539 CG ARG A 39 16.699 0.387 -3.910 1.00 1.90 C ATOM 540 CD ARG A 39 15.941 1.005 -5.072 1.00 2.25 C ATOM 541 NE ARG A 39 16.791 1.229 -6.232 1.00 2.89 N ATOM 542 CZ ARG A 39 16.323 1.546 -7.438 1.00 3.60 C ATOM 543 NH1 ARG A 39 15.014 1.692 -7.632 1.00 3.87 N ATOM 544 NH2 ARG A 39 17.164 1.715 -8.447 1.00 4.47 N ATOM 0 H ARG A 39 13.733 -0.451 -1.314 1.00 0.87 H new ATOM 0 HA ARG A 39 14.317 -0.750 -4.159 1.00 1.08 H new ATOM 0 HB2 ARG A 39 15.291 1.013 -2.431 1.00 1.40 H new ATOM 0 HB3 ARG A 39 16.326 -0.308 -1.925 1.00 1.40 H new ATOM 0 HG2 ARG A 39 17.481 1.068 -3.574 1.00 1.90 H new ATOM 0 HG3 ARG A 39 17.192 -0.529 -4.235 1.00 1.90 H new ATOM 0 HD2 ARG A 39 15.114 0.352 -5.351 1.00 2.25 H new ATOM 0 HD3 ARG A 39 15.506 1.953 -4.755 1.00 2.25 H new ATOM 0 HE ARG A 39 17.800 1.138 -6.115 1.00 2.89 H new ATOM 0 HH11 ARG A 39 14.366 1.561 -6.856 1.00 3.87 H new ATOM 0 HH12 ARG A 39 14.659 1.935 -8.557 1.00 3.87 H new ATOM 0 HH21 ARG A 39 18.167 1.602 -8.299 1.00 4.47 H new ATOM 0 HH22 ARG A 39 16.809 1.958 -9.372 1.00 4.47 H new ATOM 558 N THR A 40 15.782 -2.695 -1.958 1.00 0.62 N ATOM 559 CA THR A 40 16.579 -3.907 -1.869 1.00 0.70 C ATOM 560 C THR A 40 15.712 -5.127 -1.600 1.00 0.75 C ATOM 561 O THR A 40 14.492 -5.024 -1.538 1.00 0.61 O ATOM 562 CB THR A 40 17.634 -3.773 -0.765 1.00 0.88 C ATOM 563 OG1 THR A 40 16.990 -3.577 0.497 1.00 1.59 O ATOM 564 CG2 THR A 40 18.554 -2.599 -1.057 1.00 1.25 C ATOM 0 H THR A 40 15.708 -2.171 -1.086 1.00 0.62 H new ATOM 0 HA THR A 40 17.074 -4.044 -2.830 1.00 0.70 H new ATOM 0 HB THR A 40 18.227 -4.687 -0.732 1.00 0.88 H new ATOM 0 HG1 THR A 40 17.667 -3.493 1.200 1.00 1.59 H new ATOM 0 HG21 THR A 40 19.299 -2.515 -0.266 1.00 1.25 H new ATOM 0 HG22 THR A 40 19.055 -2.758 -2.012 1.00 1.25 H new ATOM 0 HG23 THR A 40 17.969 -1.681 -1.104 1.00 1.25 H new ATOM 572 N THR A 41 16.344 -6.278 -1.439 1.00 1.03 N ATOM 573 CA THR A 41 15.624 -7.499 -1.130 1.00 1.16 C ATOM 574 C THR A 41 14.987 -7.389 0.246 1.00 1.04 C ATOM 575 O THR A 41 13.842 -7.764 0.438 1.00 0.97 O ATOM 576 CB THR A 41 16.555 -8.716 -1.155 1.00 1.58 C ATOM 577 OG1 THR A 41 17.293 -8.739 -2.389 1.00 1.79 O ATOM 578 CG2 THR A 41 15.765 -10.011 -1.007 1.00 1.73 C ATOM 0 H THR A 41 17.355 -6.391 -1.518 1.00 1.03 H new ATOM 0 HA THR A 41 14.854 -7.634 -1.890 1.00 1.16 H new ATOM 0 HB THR A 41 17.246 -8.635 -0.316 1.00 1.58 H new ATOM 0 HG1 THR A 41 17.888 -9.518 -2.400 1.00 1.79 H new ATOM 0 HG21 THR A 41 16.449 -10.859 -1.028 1.00 1.73 H new ATOM 0 HG22 THR A 41 15.227 -10.002 -0.059 1.00 1.73 H new ATOM 0 HG23 THR A 41 15.053 -10.099 -1.828 1.00 1.73 H new ATOM 586 N ALA A 42 15.733 -6.839 1.197 1.00 1.12 N ATOM 587 CA ALA A 42 15.218 -6.639 2.543 1.00 1.18 C ATOM 588 C ALA A 42 14.084 -5.622 2.539 1.00 0.98 C ATOM 589 O ALA A 42 13.285 -5.554 3.471 1.00 1.13 O ATOM 590 CB ALA A 42 16.329 -6.196 3.481 1.00 1.41 C ATOM 0 H ALA A 42 16.694 -6.525 1.060 1.00 1.12 H new ATOM 0 HA ALA A 42 14.824 -7.590 2.902 1.00 1.18 H new ATOM 0 HB1 ALA A 42 15.924 -6.052 4.483 1.00 1.41 H new ATOM 0 HB2 ALA A 42 17.106 -6.960 3.511 1.00 1.41 H new ATOM 0 HB3 ALA A 42 16.755 -5.259 3.123 1.00 1.41 H new ATOM 596 N ASP A 43 14.028 -4.833 1.476 1.00 0.74 N ATOM 597 CA ASP A 43 12.949 -3.870 1.287 1.00 0.67 C ATOM 598 C ASP A 43 11.771 -4.519 0.585 1.00 0.64 C ATOM 599 O ASP A 43 10.625 -4.360 1.000 1.00 0.93 O ATOM 600 CB ASP A 43 13.427 -2.665 0.468 1.00 0.63 C ATOM 601 CG ASP A 43 13.997 -1.547 1.317 1.00 1.00 C ATOM 602 OD1 ASP A 43 15.064 -1.752 1.932 1.00 1.18 O ATOM 603 OD2 ASP A 43 13.383 -0.467 1.390 1.00 1.72 O ATOM 0 H ASP A 43 14.720 -4.840 0.727 1.00 0.74 H new ATOM 0 HA ASP A 43 12.636 -3.526 2.273 1.00 0.67 H new ATOM 0 HB2 ASP A 43 14.186 -2.995 -0.241 1.00 0.63 H new ATOM 0 HB3 ASP A 43 12.592 -2.278 -0.116 1.00 0.63 H new ATOM 608 N ARG A 44 12.065 -5.267 -0.462 1.00 0.54 N ATOM 609 CA ARG A 44 11.028 -5.877 -1.282 1.00 0.61 C ATOM 610 C ARG A 44 10.722 -7.280 -0.788 1.00 0.67 C ATOM 611 O ARG A 44 10.222 -8.099 -1.541 1.00 0.93 O ATOM 612 CB ARG A 44 11.452 -5.924 -2.753 1.00 0.76 C ATOM 613 CG ARG A 44 11.962 -4.599 -3.283 1.00 1.39 C ATOM 614 CD ARG A 44 12.107 -4.621 -4.793 1.00 1.53 C ATOM 615 NE ARG A 44 10.820 -4.453 -5.464 1.00 1.70 N ATOM 616 CZ ARG A 44 10.472 -5.069 -6.589 1.00 2.01 C ATOM 617 NH1 ARG A 44 11.277 -5.971 -7.147 1.00 2.34 N ATOM 618 NH2 ARG A 44 9.302 -4.793 -7.149 1.00 2.70 N ATOM 0 H ARG A 44 13.017 -5.469 -0.768 1.00 0.54 H new ATOM 0 HA ARG A 44 10.129 -5.266 -1.200 1.00 0.61 H new ATOM 0 HB2 ARG A 44 12.231 -6.677 -2.874 1.00 0.76 H new ATOM 0 HB3 ARG A 44 10.603 -6.244 -3.357 1.00 0.76 H new ATOM 0 HG2 ARG A 44 11.276 -3.803 -2.994 1.00 1.39 H new ATOM 0 HG3 ARG A 44 12.926 -4.371 -2.827 1.00 1.39 H new ATOM 0 HD2 ARG A 44 12.786 -3.827 -5.105 1.00 1.53 H new ATOM 0 HD3 ARG A 44 12.557 -5.565 -5.101 1.00 1.53 H new ATOM 0 HE ARG A 44 10.142 -3.820 -5.040 1.00 1.70 H new ATOM 0 HH11 ARG A 44 12.171 -6.196 -6.711 1.00 2.34 H new ATOM 0 HH12 ARG A 44 10.999 -6.437 -8.011 1.00 2.34 H new ATOM 0 HH21 ARG A 44 8.677 -4.113 -6.716 1.00 2.70 H new ATOM 0 HH22 ARG A 44 9.027 -5.261 -8.012 1.00 2.70 H new ATOM 632 N ARG A 45 11.077 -7.541 0.465 1.00 0.66 N ATOM 633 CA ARG A 45 10.715 -8.771 1.156 1.00 0.72 C ATOM 634 C ARG A 45 10.492 -8.428 2.615 1.00 0.76 C ATOM 635 O ARG A 45 11.014 -9.057 3.541 1.00 1.28 O ATOM 636 CB ARG A 45 11.818 -9.827 1.008 1.00 0.88 C ATOM 637 CG ARG A 45 11.345 -11.241 1.264 1.00 1.16 C ATOM 638 CD ARG A 45 10.876 -11.903 -0.016 1.00 1.34 C ATOM 639 NE ARG A 45 11.984 -12.206 -0.917 1.00 1.99 N ATOM 640 CZ ARG A 45 12.212 -11.563 -2.063 1.00 2.61 C ATOM 641 NH1 ARG A 45 11.429 -10.554 -2.428 1.00 2.84 N ATOM 642 NH2 ARG A 45 13.235 -11.918 -2.833 1.00 3.54 N ATOM 0 H ARG A 45 11.629 -6.899 1.034 1.00 0.66 H new ATOM 0 HA ARG A 45 9.808 -9.194 0.723 1.00 0.72 H new ATOM 0 HB2 ARG A 45 12.232 -9.769 0.001 1.00 0.88 H new ATOM 0 HB3 ARG A 45 12.627 -9.593 1.700 1.00 0.88 H new ATOM 0 HG2 ARG A 45 12.155 -11.824 1.702 1.00 1.16 H new ATOM 0 HG3 ARG A 45 10.532 -11.229 1.989 1.00 1.16 H new ATOM 0 HD2 ARG A 45 10.345 -12.823 0.226 1.00 1.34 H new ATOM 0 HD3 ARG A 45 10.166 -11.249 -0.523 1.00 1.34 H new ATOM 0 HE ARG A 45 12.623 -12.956 -0.654 1.00 1.99 H new ATOM 0 HH11 ARG A 45 10.652 -10.270 -1.831 1.00 2.84 H new ATOM 0 HH12 ARG A 45 11.605 -10.063 -3.305 1.00 2.84 H new ATOM 0 HH21 ARG A 45 13.847 -12.683 -2.548 1.00 3.54 H new ATOM 0 HH22 ARG A 45 13.409 -11.426 -3.709 1.00 3.54 H new ATOM 656 N ALA A 46 9.727 -7.379 2.772 1.00 0.51 N ATOM 657 CA ALA A 46 9.278 -6.884 4.059 1.00 0.53 C ATOM 658 C ALA A 46 8.105 -5.938 3.841 1.00 0.44 C ATOM 659 O ALA A 46 7.183 -5.851 4.659 1.00 0.53 O ATOM 660 CB ALA A 46 10.405 -6.171 4.793 1.00 0.64 C ATOM 0 H ALA A 46 9.386 -6.825 1.987 1.00 0.51 H new ATOM 0 HA ALA A 46 8.964 -7.726 4.676 1.00 0.53 H new ATOM 0 HB1 ALA A 46 10.041 -5.810 5.755 1.00 0.64 H new ATOM 0 HB2 ALA A 46 11.230 -6.865 4.954 1.00 0.64 H new ATOM 0 HB3 ALA A 46 10.752 -5.327 4.196 1.00 0.64 H new ATOM 666 N VAL A 47 8.151 -5.224 2.717 1.00 0.35 N ATOM 667 CA VAL A 47 7.113 -4.277 2.358 1.00 0.38 C ATOM 668 C VAL A 47 5.761 -4.957 2.143 1.00 0.42 C ATOM 669 O VAL A 47 4.739 -4.425 2.561 1.00 0.50 O ATOM 670 CB VAL A 47 7.510 -3.454 1.106 1.00 0.45 C ATOM 671 CG1 VAL A 47 7.718 -4.338 -0.112 1.00 0.50 C ATOM 672 CG2 VAL A 47 6.481 -2.381 0.811 1.00 0.70 C ATOM 0 H VAL A 47 8.908 -5.290 2.037 1.00 0.35 H new ATOM 0 HA VAL A 47 7.008 -3.595 3.202 1.00 0.38 H new ATOM 0 HB VAL A 47 8.461 -2.971 1.331 1.00 0.45 H new ATOM 0 HG11 VAL A 47 7.995 -3.721 -0.967 1.00 0.50 H new ATOM 0 HG12 VAL A 47 8.513 -5.055 0.090 1.00 0.50 H new ATOM 0 HG13 VAL A 47 6.795 -4.873 -0.335 1.00 0.50 H new ATOM 0 HG21 VAL A 47 6.784 -1.819 -0.072 1.00 0.70 H new ATOM 0 HG22 VAL A 47 5.512 -2.846 0.630 1.00 0.70 H new ATOM 0 HG23 VAL A 47 6.405 -1.705 1.663 1.00 0.70 H new ATOM 682 N CYS A 48 5.745 -6.137 1.528 1.00 0.44 N ATOM 683 CA CYS A 48 4.482 -6.838 1.300 1.00 0.56 C ATOM 684 C CYS A 48 3.965 -7.380 2.626 1.00 0.59 C ATOM 685 O CYS A 48 2.760 -7.374 2.889 1.00 0.68 O ATOM 686 CB CYS A 48 4.653 -7.970 0.283 1.00 0.68 C ATOM 687 SG CYS A 48 3.104 -8.639 -0.430 1.00 1.78 S ATOM 0 H CYS A 48 6.574 -6.621 1.184 1.00 0.44 H new ATOM 0 HA CYS A 48 3.757 -6.136 0.887 1.00 0.56 H new ATOM 0 HB2 CYS A 48 5.280 -7.609 -0.532 1.00 0.68 H new ATOM 0 HB3 CYS A 48 5.192 -8.786 0.763 1.00 0.68 H new ATOM 692 N SER A 49 4.887 -7.838 3.466 1.00 0.59 N ATOM 693 CA SER A 49 4.545 -8.258 4.819 1.00 0.73 C ATOM 694 C SER A 49 3.808 -7.141 5.565 1.00 0.73 C ATOM 695 O SER A 49 2.712 -7.349 6.089 1.00 0.96 O ATOM 696 CB SER A 49 5.806 -8.658 5.587 1.00 0.84 C ATOM 697 OG SER A 49 6.508 -9.689 4.915 1.00 1.41 O ATOM 0 H SER A 49 5.876 -7.928 3.233 1.00 0.59 H new ATOM 0 HA SER A 49 3.884 -9.122 4.750 1.00 0.73 H new ATOM 0 HB2 SER A 49 6.454 -7.790 5.705 1.00 0.84 H new ATOM 0 HB3 SER A 49 5.535 -8.992 6.589 1.00 0.84 H new ATOM 0 HG SER A 49 7.035 -9.303 4.184 1.00 1.41 H new ATOM 703 N CYS A 50 4.395 -5.947 5.572 1.00 0.57 N ATOM 704 CA CYS A 50 3.818 -4.810 6.283 1.00 0.60 C ATOM 705 C CYS A 50 2.600 -4.255 5.548 1.00 0.55 C ATOM 706 O CYS A 50 1.659 -3.771 6.175 1.00 0.59 O ATOM 707 CB CYS A 50 4.871 -3.708 6.466 1.00 0.63 C ATOM 708 SG CYS A 50 4.281 -2.237 7.378 1.00 1.11 S ATOM 0 H CYS A 50 5.271 -5.742 5.092 1.00 0.57 H new ATOM 0 HA CYS A 50 3.491 -5.159 7.262 1.00 0.60 H new ATOM 0 HB2 CYS A 50 5.728 -4.127 6.993 1.00 0.63 H new ATOM 0 HB3 CYS A 50 5.223 -3.393 5.484 1.00 0.63 H new ATOM 713 N LEU A 51 2.618 -4.347 4.221 1.00 0.51 N ATOM 714 CA LEU A 51 1.528 -3.849 3.384 1.00 0.55 C ATOM 715 C LEU A 51 0.190 -4.420 3.836 1.00 0.63 C ATOM 716 O LEU A 51 -0.797 -3.695 3.966 1.00 0.63 O ATOM 717 CB LEU A 51 1.783 -4.219 1.919 1.00 0.66 C ATOM 718 CG LEU A 51 0.861 -3.557 0.898 1.00 0.77 C ATOM 719 CD1 LEU A 51 1.071 -2.051 0.886 1.00 1.33 C ATOM 720 CD2 LEU A 51 1.105 -4.139 -0.484 1.00 1.33 C ATOM 0 H LEU A 51 3.385 -4.767 3.696 1.00 0.51 H new ATOM 0 HA LEU A 51 1.490 -2.764 3.482 1.00 0.55 H new ATOM 0 HB2 LEU A 51 2.813 -3.961 1.672 1.00 0.66 H new ATOM 0 HB3 LEU A 51 1.692 -5.300 1.816 1.00 0.66 H new ATOM 0 HG LEU A 51 -0.172 -3.756 1.183 1.00 0.77 H new ATOM 0 HD11 LEU A 51 0.405 -1.597 0.152 1.00 1.33 H new ATOM 0 HD12 LEU A 51 0.853 -1.645 1.874 1.00 1.33 H new ATOM 0 HD13 LEU A 51 2.105 -1.830 0.623 1.00 1.33 H new ATOM 0 HD21 LEU A 51 0.442 -3.659 -1.203 1.00 1.33 H new ATOM 0 HD22 LEU A 51 2.141 -3.965 -0.774 1.00 1.33 H new ATOM 0 HD23 LEU A 51 0.907 -5.211 -0.467 1.00 1.33 H new ATOM 732 N LYS A 52 0.173 -5.720 4.100 1.00 0.80 N ATOM 733 CA LYS A 52 -1.042 -6.399 4.525 1.00 0.99 C ATOM 734 C LYS A 52 -1.492 -5.921 5.900 1.00 0.92 C ATOM 735 O LYS A 52 -2.680 -5.725 6.138 1.00 1.02 O ATOM 736 CB LYS A 52 -0.829 -7.909 4.552 1.00 1.32 C ATOM 737 CG LYS A 52 -0.333 -8.475 3.237 1.00 1.40 C ATOM 738 CD LYS A 52 -0.407 -9.995 3.210 1.00 1.78 C ATOM 739 CE LYS A 52 0.337 -10.621 4.379 1.00 1.79 C ATOM 740 NZ LYS A 52 1.737 -10.130 4.477 1.00 2.30 N ATOM 0 H LYS A 52 0.990 -6.326 4.027 1.00 0.80 H new ATOM 0 HA LYS A 52 -1.822 -6.158 3.803 1.00 0.99 H new ATOM 0 HB2 LYS A 52 -0.112 -8.152 5.336 1.00 1.32 H new ATOM 0 HB3 LYS A 52 -1.768 -8.395 4.816 1.00 1.32 H new ATOM 0 HG2 LYS A 52 -0.928 -8.068 2.419 1.00 1.40 H new ATOM 0 HG3 LYS A 52 0.697 -8.159 3.071 1.00 1.40 H new ATOM 0 HD2 LYS A 52 -1.451 -10.308 3.235 1.00 1.78 H new ATOM 0 HD3 LYS A 52 0.014 -10.362 2.274 1.00 1.78 H new ATOM 0 HE2 LYS A 52 -0.191 -10.397 5.306 1.00 1.79 H new ATOM 0 HE3 LYS A 52 0.340 -11.705 4.268 1.00 1.79 H new ATOM 0 HZ1 LYS A 52 2.320 -10.838 4.968 1.00 2.30 H new ATOM 0 HZ2 LYS A 52 2.117 -9.971 3.522 1.00 2.30 H new ATOM 0 HZ3 LYS A 52 1.755 -9.237 5.010 1.00 2.30 H new ATOM 754 N ALA A 53 -0.544 -5.722 6.806 1.00 0.88 N ATOM 755 CA ALA A 53 -0.881 -5.298 8.154 1.00 0.95 C ATOM 756 C ALA A 53 -1.352 -3.854 8.165 1.00 0.91 C ATOM 757 O ALA A 53 -2.260 -3.503 8.905 1.00 1.10 O ATOM 758 CB ALA A 53 0.296 -5.465 9.095 1.00 1.06 C ATOM 0 H ALA A 53 0.454 -5.846 6.633 1.00 0.88 H new ATOM 0 HA ALA A 53 -1.693 -5.936 8.503 1.00 0.95 H new ATOM 0 HB1 ALA A 53 0.011 -5.139 10.095 1.00 1.06 H new ATOM 0 HB2 ALA A 53 0.591 -6.514 9.126 1.00 1.06 H new ATOM 0 HB3 ALA A 53 1.133 -4.863 8.742 1.00 1.06 H new ATOM 764 N ALA A 54 -0.735 -3.023 7.340 1.00 0.79 N ATOM 765 CA ALA A 54 -1.087 -1.614 7.275 1.00 0.87 C ATOM 766 C ALA A 54 -2.479 -1.428 6.680 1.00 0.94 C ATOM 767 O ALA A 54 -3.292 -0.674 7.215 1.00 1.16 O ATOM 768 CB ALA A 54 -0.049 -0.845 6.476 1.00 0.89 C ATOM 0 H ALA A 54 0.013 -3.301 6.705 1.00 0.79 H new ATOM 0 HA ALA A 54 -1.102 -1.217 8.290 1.00 0.87 H new ATOM 0 HB1 ALA A 54 -0.327 0.208 6.437 1.00 0.89 H new ATOM 0 HB2 ALA A 54 0.926 -0.945 6.954 1.00 0.89 H new ATOM 0 HB3 ALA A 54 0.000 -1.245 5.463 1.00 0.89 H new ATOM 774 N ALA A 55 -2.759 -2.136 5.590 1.00 0.88 N ATOM 775 CA ALA A 55 -4.065 -2.055 4.942 1.00 0.97 C ATOM 776 C ALA A 55 -5.130 -2.751 5.781 1.00 0.96 C ATOM 777 O ALA A 55 -6.318 -2.448 5.674 1.00 1.07 O ATOM 778 CB ALA A 55 -4.005 -2.667 3.551 1.00 1.11 C ATOM 0 H ALA A 55 -2.101 -2.771 5.137 1.00 0.88 H new ATOM 0 HA ALA A 55 -4.335 -1.003 4.850 1.00 0.97 H new ATOM 0 HB1 ALA A 55 -4.986 -2.599 3.081 1.00 1.11 H new ATOM 0 HB2 ALA A 55 -3.275 -2.127 2.947 1.00 1.11 H new ATOM 0 HB3 ALA A 55 -3.711 -3.714 3.626 1.00 1.11 H new ATOM 784 N GLY A 56 -4.697 -3.693 6.612 1.00 0.96 N ATOM 785 CA GLY A 56 -5.615 -4.394 7.485 1.00 1.05 C ATOM 786 C GLY A 56 -5.661 -3.789 8.874 1.00 0.99 C ATOM 787 O GLY A 56 -6.373 -4.279 9.752 1.00 1.08 O ATOM 0 H GLY A 56 -3.723 -3.983 6.695 1.00 0.96 H new ATOM 0 HA2 GLY A 56 -6.614 -4.375 7.049 1.00 1.05 H new ATOM 0 HA3 GLY A 56 -5.318 -5.440 7.556 1.00 1.05 H new ATOM 791 N ALA A 57 -4.905 -2.712 9.069 1.00 0.98 N ATOM 792 CA ALA A 57 -4.857 -2.020 10.353 1.00 1.11 C ATOM 793 C ALA A 57 -6.010 -1.033 10.461 1.00 1.10 C ATOM 794 O ALA A 57 -6.202 -0.381 11.489 1.00 1.53 O ATOM 795 CB ALA A 57 -3.536 -1.284 10.519 1.00 1.34 C ATOM 0 H ALA A 57 -4.314 -2.298 8.349 1.00 0.98 H new ATOM 0 HA ALA A 57 -4.945 -2.764 11.144 1.00 1.11 H new ATOM 0 HB1 ALA A 57 -3.522 -0.775 11.483 1.00 1.34 H new ATOM 0 HB2 ALA A 57 -2.714 -1.998 10.473 1.00 1.34 H new ATOM 0 HB3 ALA A 57 -3.425 -0.551 9.720 1.00 1.34 H new ATOM 801 N VAL A 58 -6.765 -0.927 9.378 1.00 0.89 N ATOM 802 CA VAL A 58 -7.848 0.036 9.272 1.00 1.10 C ATOM 803 C VAL A 58 -9.020 -0.303 10.189 1.00 1.08 C ATOM 804 O VAL A 58 -9.055 -1.351 10.834 1.00 1.78 O ATOM 805 CB VAL A 58 -8.359 0.148 7.822 1.00 1.50 C ATOM 806 CG1 VAL A 58 -7.277 0.716 6.920 1.00 1.74 C ATOM 807 CG2 VAL A 58 -8.832 -1.204 7.311 1.00 2.36 C ATOM 0 H VAL A 58 -6.643 -1.507 8.548 1.00 0.89 H new ATOM 0 HA VAL A 58 -7.431 0.993 9.586 1.00 1.10 H new ATOM 0 HB VAL A 58 -9.209 0.830 7.809 1.00 1.50 H new ATOM 0 HG11 VAL A 58 -7.655 0.788 5.900 1.00 1.74 H new ATOM 0 HG12 VAL A 58 -6.993 1.707 7.273 1.00 1.74 H new ATOM 0 HG13 VAL A 58 -6.406 0.061 6.939 1.00 1.74 H new ATOM 0 HG21 VAL A 58 -9.188 -1.101 6.286 1.00 2.36 H new ATOM 0 HG22 VAL A 58 -8.005 -1.913 7.338 1.00 2.36 H new ATOM 0 HG23 VAL A 58 -9.643 -1.568 7.942 1.00 2.36 H new ATOM 817 N ARG A 59 -9.975 0.609 10.224 1.00 0.92 N ATOM 818 CA ARG A 59 -11.191 0.458 11.002 1.00 1.16 C ATOM 819 C ARG A 59 -12.311 1.127 10.226 1.00 1.18 C ATOM 820 O ARG A 59 -12.118 2.204 9.663 1.00 1.83 O ATOM 821 CB ARG A 59 -11.032 1.066 12.400 1.00 1.63 C ATOM 822 CG ARG A 59 -10.615 2.525 12.399 1.00 2.16 C ATOM 823 CD ARG A 59 -10.416 3.051 13.810 1.00 2.64 C ATOM 824 NE ARG A 59 -11.631 2.938 14.618 1.00 3.01 N ATOM 825 CZ ARG A 59 -11.742 3.393 15.865 1.00 3.85 C ATOM 826 NH1 ARG A 59 -10.742 4.056 16.429 1.00 4.30 N ATOM 827 NH2 ARG A 59 -12.866 3.198 16.541 1.00 4.65 N ATOM 0 H ARG A 59 -9.927 1.486 9.706 1.00 0.92 H new ATOM 0 HA ARG A 59 -11.419 -0.597 11.153 1.00 1.16 H new ATOM 0 HB2 ARG A 59 -11.977 0.970 12.936 1.00 1.63 H new ATOM 0 HB3 ARG A 59 -10.292 0.488 12.953 1.00 1.63 H new ATOM 0 HG2 ARG A 59 -9.690 2.639 11.834 1.00 2.16 H new ATOM 0 HG3 ARG A 59 -11.374 3.121 11.892 1.00 2.16 H new ATOM 0 HD2 ARG A 59 -9.609 2.499 14.291 1.00 2.64 H new ATOM 0 HD3 ARG A 59 -10.106 4.095 13.766 1.00 2.64 H new ATOM 0 HE ARG A 59 -12.443 2.483 14.201 1.00 3.01 H new ATOM 0 HH11 ARG A 59 -9.881 4.220 15.908 1.00 4.30 H new ATOM 0 HH12 ARG A 59 -10.834 4.402 17.384 1.00 4.30 H new ATOM 0 HH21 ARG A 59 -13.643 2.701 16.106 1.00 4.65 H new ATOM 0 HH22 ARG A 59 -12.954 3.545 17.496 1.00 4.65 H new ATOM 841 N GLY A 60 -13.456 0.474 10.158 1.00 1.26 N ATOM 842 CA GLY A 60 -14.451 0.830 9.164 1.00 1.50 C ATOM 843 C GLY A 60 -14.181 0.047 7.899 1.00 1.68 C ATOM 844 O GLY A 60 -15.098 -0.382 7.198 1.00 2.01 O ATOM 0 H GLY A 60 -13.718 -0.297 10.772 1.00 1.26 H new ATOM 0 HA2 GLY A 60 -15.452 0.611 9.537 1.00 1.50 H new ATOM 0 HA3 GLY A 60 -14.414 1.900 8.960 1.00 1.50 H new ATOM 848 N ILE A 61 -12.884 -0.126 7.637 1.00 1.67 N ATOM 849 CA ILE A 61 -12.364 -1.071 6.656 1.00 1.93 C ATOM 850 C ILE A 61 -12.464 -0.556 5.228 1.00 1.67 C ATOM 851 O ILE A 61 -13.441 0.086 4.841 1.00 2.21 O ATOM 852 CB ILE A 61 -13.040 -2.460 6.762 1.00 2.53 C ATOM 853 CG1 ILE A 61 -13.049 -2.953 8.216 1.00 3.45 C ATOM 854 CG2 ILE A 61 -12.315 -3.460 5.879 1.00 2.78 C ATOM 855 CD1 ILE A 61 -11.674 -3.027 8.842 1.00 3.54 C ATOM 0 H ILE A 61 -12.152 0.401 8.114 1.00 1.67 H new ATOM 0 HA ILE A 61 -11.307 -1.181 6.899 1.00 1.93 H new ATOM 0 HB ILE A 61 -14.072 -2.366 6.424 1.00 2.53 H new ATOM 0 HG12 ILE A 61 -13.674 -2.288 8.812 1.00 3.45 H new ATOM 0 HG13 ILE A 61 -13.509 -3.941 8.253 1.00 3.45 H new ATOM 0 HG21 ILE A 61 -12.798 -4.434 5.960 1.00 2.78 H new ATOM 0 HG22 ILE A 61 -12.350 -3.123 4.843 1.00 2.78 H new ATOM 0 HG23 ILE A 61 -11.276 -3.542 6.199 1.00 2.78 H new ATOM 0 HD11 ILE A 61 -11.760 -3.383 9.869 1.00 3.54 H new ATOM 0 HD12 ILE A 61 -11.051 -3.715 8.271 1.00 3.54 H new ATOM 0 HD13 ILE A 61 -11.219 -2.037 8.839 1.00 3.54 H new ATOM 867 N ASN A 62 -11.415 -0.831 4.460 1.00 1.52 N ATOM 868 CA ASN A 62 -11.367 -0.490 3.043 1.00 1.54 C ATOM 869 C ASN A 62 -11.538 -1.720 2.155 1.00 1.47 C ATOM 870 O ASN A 62 -10.564 -2.385 1.814 1.00 1.53 O ATOM 871 CB ASN A 62 -10.049 0.216 2.697 1.00 1.94 C ATOM 872 CG ASN A 62 -8.830 -0.330 3.445 1.00 2.79 C ATOM 873 OD1 ASN A 62 -7.962 0.428 3.856 1.00 3.22 O ATOM 874 ND2 ASN A 62 -8.730 -1.645 3.590 1.00 3.41 N ATOM 0 H ASN A 62 -10.574 -1.296 4.802 1.00 1.52 H new ATOM 0 HA ASN A 62 -12.200 0.186 2.851 1.00 1.54 H new ATOM 0 HB2 ASN A 62 -9.873 0.128 1.625 1.00 1.94 H new ATOM 0 HB3 ASN A 62 -10.150 1.279 2.917 1.00 1.94 H new ATOM 0 HD21 ASN A 62 -7.915 -2.046 4.054 1.00 3.41 H new ATOM 0 HD22 ASN A 62 -9.468 -2.255 3.238 1.00 3.41 H new ATOM 881 N PRO A 63 -12.772 -2.062 1.778 1.00 1.67 N ATOM 882 CA PRO A 63 -13.020 -3.130 0.821 1.00 1.87 C ATOM 883 C PRO A 63 -12.779 -2.655 -0.602 1.00 1.64 C ATOM 884 O PRO A 63 -11.947 -3.205 -1.320 1.00 1.59 O ATOM 885 CB PRO A 63 -14.498 -3.490 1.036 1.00 2.43 C ATOM 886 CG PRO A 63 -14.969 -2.641 2.178 1.00 2.38 C ATOM 887 CD PRO A 63 -14.024 -1.477 2.264 1.00 2.01 C ATOM 0 HA PRO A 63 -12.356 -3.982 0.967 1.00 1.87 H new ATOM 0 HB2 PRO A 63 -15.082 -3.293 0.137 1.00 2.43 H new ATOM 0 HB3 PRO A 63 -14.612 -4.550 1.265 1.00 2.43 H new ATOM 0 HG2 PRO A 63 -15.991 -2.299 2.012 1.00 2.38 H new ATOM 0 HG3 PRO A 63 -14.970 -3.209 3.108 1.00 2.38 H new ATOM 0 HD2 PRO A 63 -14.350 -0.641 1.646 1.00 2.01 H new ATOM 0 HD3 PRO A 63 -13.930 -1.102 3.283 1.00 2.01 H new ATOM 895 N ASN A 64 -13.495 -1.617 -1.000 1.00 1.59 N ATOM 896 CA ASN A 64 -13.321 -1.044 -2.323 1.00 1.51 C ATOM 897 C ASN A 64 -12.112 -0.122 -2.352 1.00 1.16 C ATOM 898 O ASN A 64 -11.406 -0.048 -3.353 1.00 1.11 O ATOM 899 CB ASN A 64 -14.575 -0.270 -2.739 1.00 1.72 C ATOM 900 CG ASN A 64 -14.489 0.280 -4.150 1.00 2.37 C ATOM 901 OD1 ASN A 64 -14.056 1.412 -4.371 1.00 3.10 O ATOM 902 ND2 ASN A 64 -14.916 -0.513 -5.116 1.00 2.83 N ATOM 0 H ASN A 64 -14.201 -1.155 -0.427 1.00 1.59 H new ATOM 0 HA ASN A 64 -13.158 -1.859 -3.028 1.00 1.51 H new ATOM 0 HB2 ASN A 64 -15.442 -0.926 -2.662 1.00 1.72 H new ATOM 0 HB3 ASN A 64 -14.735 0.553 -2.043 1.00 1.72 H new ATOM 0 HD21 ASN A 64 -14.894 -0.194 -6.085 1.00 2.83 H new ATOM 0 HD22 ASN A 64 -15.268 -1.444 -4.893 1.00 2.83 H new ATOM 909 N ASN A 65 -11.852 0.539 -1.227 1.00 0.99 N ATOM 910 CA ASN A 65 -10.848 1.594 -1.171 1.00 0.74 C ATOM 911 C ASN A 65 -9.437 1.025 -1.266 1.00 0.69 C ATOM 912 O ASN A 65 -8.537 1.666 -1.809 1.00 0.60 O ATOM 913 CB ASN A 65 -11.003 2.401 0.119 1.00 0.74 C ATOM 914 CG ASN A 65 -12.439 2.828 0.376 1.00 0.95 C ATOM 915 OD1 ASN A 65 -13.210 3.063 -0.555 1.00 1.34 O ATOM 916 ND2 ASN A 65 -12.812 2.917 1.642 1.00 1.13 N ATOM 0 H ASN A 65 -12.325 0.361 -0.341 1.00 0.99 H new ATOM 0 HA ASN A 65 -11.004 2.250 -2.027 1.00 0.74 H new ATOM 0 HB2 ASN A 65 -10.650 1.805 0.960 1.00 0.74 H new ATOM 0 HB3 ASN A 65 -10.369 3.286 0.067 1.00 0.74 H new ATOM 0 HD21 ASN A 65 -13.767 3.188 1.874 1.00 1.13 H new ATOM 0 HD22 ASN A 65 -12.144 2.714 2.386 1.00 1.13 H new ATOM 923 N ALA A 66 -9.249 -0.187 -0.753 1.00 0.93 N ATOM 924 CA ALA A 66 -7.945 -0.839 -0.796 1.00 1.07 C ATOM 925 C ALA A 66 -7.553 -1.156 -2.230 1.00 1.02 C ATOM 926 O ALA A 66 -6.436 -0.870 -2.659 1.00 1.05 O ATOM 927 CB ALA A 66 -7.947 -2.111 0.045 1.00 1.43 C ATOM 0 H ALA A 66 -9.982 -0.736 -0.304 1.00 0.93 H new ATOM 0 HA ALA A 66 -7.210 -0.152 -0.378 1.00 1.07 H new ATOM 0 HB1 ALA A 66 -6.964 -2.580 -0.002 1.00 1.43 H new ATOM 0 HB2 ALA A 66 -8.181 -1.862 1.080 1.00 1.43 H new ATOM 0 HB3 ALA A 66 -8.697 -2.801 -0.341 1.00 1.43 H new ATOM 933 N GLU A 67 -8.491 -1.722 -2.978 1.00 1.07 N ATOM 934 CA GLU A 67 -8.245 -2.072 -4.375 1.00 1.12 C ATOM 935 C GLU A 67 -8.347 -0.829 -5.268 1.00 0.94 C ATOM 936 O GLU A 67 -7.996 -0.860 -6.448 1.00 1.00 O ATOM 937 CB GLU A 67 -9.244 -3.145 -4.824 1.00 1.50 C ATOM 938 CG GLU A 67 -8.927 -3.772 -6.175 1.00 1.80 C ATOM 939 CD GLU A 67 -7.566 -4.444 -6.208 1.00 2.05 C ATOM 940 OE1 GLU A 67 -7.353 -5.400 -5.439 1.00 2.41 O ATOM 941 OE2 GLU A 67 -6.705 -4.018 -7.011 1.00 2.41 O ATOM 0 H GLU A 67 -9.428 -1.949 -2.644 1.00 1.07 H new ATOM 0 HA GLU A 67 -7.235 -2.471 -4.467 1.00 1.12 H new ATOM 0 HB2 GLU A 67 -9.277 -3.932 -4.070 1.00 1.50 H new ATOM 0 HB3 GLU A 67 -10.239 -2.703 -4.867 1.00 1.50 H new ATOM 0 HG2 GLU A 67 -9.695 -4.506 -6.419 1.00 1.80 H new ATOM 0 HG3 GLU A 67 -8.966 -3.002 -6.946 1.00 1.80 H new ATOM 948 N ALA A 68 -8.817 0.267 -4.691 1.00 0.86 N ATOM 949 CA ALA A 68 -8.982 1.508 -5.433 1.00 0.92 C ATOM 950 C ALA A 68 -7.688 2.311 -5.470 1.00 0.89 C ATOM 951 O ALA A 68 -7.358 2.915 -6.491 1.00 1.14 O ATOM 952 CB ALA A 68 -10.096 2.344 -4.820 1.00 1.00 C ATOM 0 H ALA A 68 -9.091 0.322 -3.710 1.00 0.86 H new ATOM 0 HA ALA A 68 -9.248 1.250 -6.458 1.00 0.92 H new ATOM 0 HB1 ALA A 68 -10.209 3.270 -5.384 1.00 1.00 H new ATOM 0 HB2 ALA A 68 -11.030 1.784 -4.851 1.00 1.00 H new ATOM 0 HB3 ALA A 68 -9.848 2.578 -3.785 1.00 1.00 H new ATOM 958 N LEU A 69 -6.960 2.298 -4.358 1.00 0.79 N ATOM 959 CA LEU A 69 -5.752 3.111 -4.198 1.00 1.01 C ATOM 960 C LEU A 69 -4.758 2.955 -5.364 1.00 1.08 C ATOM 961 O LEU A 69 -4.373 3.955 -5.974 1.00 1.37 O ATOM 962 CB LEU A 69 -5.070 2.790 -2.866 1.00 1.16 C ATOM 963 CG LEU A 69 -3.783 3.572 -2.598 1.00 1.47 C ATOM 964 CD1 LEU A 69 -4.038 5.068 -2.677 1.00 2.29 C ATOM 965 CD2 LEU A 69 -3.214 3.205 -1.237 1.00 1.96 C ATOM 0 H LEU A 69 -7.187 1.727 -3.544 1.00 0.79 H new ATOM 0 HA LEU A 69 -6.072 4.153 -4.203 1.00 1.01 H new ATOM 0 HB2 LEU A 69 -5.773 2.988 -2.057 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -4.843 1.724 -2.838 1.00 1.16 H new ATOM 0 HG LEU A 69 -3.055 3.306 -3.364 1.00 1.47 H new ATOM 0 HD11 LEU A 69 -3.110 5.606 -2.483 1.00 2.29 H new ATOM 0 HD12 LEU A 69 -4.404 5.323 -3.672 1.00 2.29 H new ATOM 0 HD13 LEU A 69 -4.783 5.350 -1.933 1.00 2.29 H new ATOM 0 HD21 LEU A 69 -2.298 3.770 -1.061 1.00 1.96 H new ATOM 0 HD22 LEU A 69 -3.942 3.444 -0.462 1.00 1.96 H new ATOM 0 HD23 LEU A 69 -2.993 2.138 -1.211 1.00 1.96 H new ATOM 977 N PRO A 70 -4.330 1.720 -5.711 1.00 0.88 N ATOM 978 CA PRO A 70 -3.380 1.511 -6.811 1.00 0.91 C ATOM 979 C PRO A 70 -3.929 2.026 -8.142 1.00 1.02 C ATOM 980 O PRO A 70 -3.175 2.389 -9.047 1.00 1.20 O ATOM 981 CB PRO A 70 -3.182 -0.011 -6.848 1.00 0.77 C ATOM 982 CG PRO A 70 -4.359 -0.571 -6.128 1.00 0.78 C ATOM 983 CD PRO A 70 -4.722 0.444 -5.084 1.00 0.78 C ATOM 0 HA PRO A 70 -2.448 2.055 -6.657 1.00 0.91 H new ATOM 0 HB2 PRO A 70 -3.135 -0.378 -7.873 1.00 0.77 H new ATOM 0 HB3 PRO A 70 -2.249 -0.299 -6.363 1.00 0.77 H new ATOM 0 HG2 PRO A 70 -5.190 -0.743 -6.812 1.00 0.78 H new ATOM 0 HG3 PRO A 70 -4.118 -1.531 -5.672 1.00 0.78 H new ATOM 0 HD2 PRO A 70 -5.786 0.419 -4.850 1.00 0.78 H new ATOM 0 HD3 PRO A 70 -4.186 0.272 -4.150 1.00 0.78 H new ATOM 991 N GLY A 71 -5.251 2.081 -8.242 1.00 1.06 N ATOM 992 CA GLY A 71 -5.882 2.631 -9.420 1.00 1.36 C ATOM 993 C GLY A 71 -5.781 4.144 -9.460 1.00 1.09 C ATOM 994 O GLY A 71 -5.463 4.722 -10.498 1.00 1.18 O ATOM 0 H GLY A 71 -5.897 1.753 -7.524 1.00 1.06 H new ATOM 0 HA2 GLY A 71 -5.415 2.212 -10.311 1.00 1.36 H new ATOM 0 HA3 GLY A 71 -6.931 2.336 -9.441 1.00 1.36 H new ATOM 998 N LYS A 72 -6.029 4.775 -8.313 1.00 0.90 N ATOM 999 CA LYS A 72 -6.005 6.230 -8.188 1.00 0.78 C ATOM 1000 C LYS A 72 -4.633 6.800 -8.555 1.00 0.73 C ATOM 1001 O LYS A 72 -4.536 7.769 -9.308 1.00 0.99 O ATOM 1002 CB LYS A 72 -6.343 6.638 -6.749 1.00 0.76 C ATOM 1003 CG LYS A 72 -7.550 5.924 -6.155 1.00 1.18 C ATOM 1004 CD LYS A 72 -8.841 6.276 -6.874 1.00 1.40 C ATOM 1005 CE LYS A 72 -9.159 7.753 -6.744 1.00 2.07 C ATOM 1006 NZ LYS A 72 -10.473 8.091 -7.351 1.00 2.61 N ATOM 0 H LYS A 72 -6.252 4.290 -7.444 1.00 0.90 H new ATOM 0 HA LYS A 72 -6.747 6.632 -8.878 1.00 0.78 H new ATOM 0 HB2 LYS A 72 -5.476 6.445 -6.117 1.00 0.76 H new ATOM 0 HB3 LYS A 72 -6.524 7.713 -6.723 1.00 0.76 H new ATOM 0 HG2 LYS A 72 -7.392 4.847 -6.204 1.00 1.18 H new ATOM 0 HG3 LYS A 72 -7.641 6.185 -5.101 1.00 1.18 H new ATOM 0 HD2 LYS A 72 -8.757 6.011 -7.928 1.00 1.40 H new ATOM 0 HD3 LYS A 72 -9.661 5.688 -6.462 1.00 1.40 H new ATOM 0 HE2 LYS A 72 -9.163 8.032 -5.690 1.00 2.07 H new ATOM 0 HE3 LYS A 72 -8.375 8.337 -7.226 1.00 2.07 H new ATOM 0 HZ1 LYS A 72 -10.654 9.109 -7.242 1.00 2.61 H new ATOM 0 HZ2 LYS A 72 -10.461 7.848 -8.362 1.00 2.61 H new ATOM 0 HZ3 LYS A 72 -11.224 7.553 -6.874 1.00 2.61 H new ATOM 1020 N CYS A 73 -3.580 6.191 -8.023 1.00 0.63 N ATOM 1021 CA CYS A 73 -2.224 6.712 -8.196 1.00 0.63 C ATOM 1022 C CYS A 73 -1.557 6.154 -9.454 1.00 0.62 C ATOM 1023 O CYS A 73 -0.366 6.368 -9.680 1.00 0.77 O ATOM 1024 CB CYS A 73 -1.392 6.409 -6.944 1.00 0.72 C ATOM 1025 SG CYS A 73 -2.170 7.046 -5.422 1.00 1.65 S ATOM 0 H CYS A 73 -3.636 5.337 -7.468 1.00 0.63 H new ATOM 0 HA CYS A 73 -2.285 7.792 -8.328 1.00 0.63 H new ATOM 0 HB2 CYS A 73 -1.254 5.331 -6.855 1.00 0.72 H new ATOM 0 HB3 CYS A 73 -0.401 6.849 -7.054 1.00 0.72 H new ATOM 1030 N GLY A 74 -2.334 5.438 -10.265 1.00 0.61 N ATOM 1031 CA GLY A 74 -1.864 4.996 -11.565 1.00 0.67 C ATOM 1032 C GLY A 74 -0.754 3.972 -11.476 1.00 0.66 C ATOM 1033 O GLY A 74 0.139 3.943 -12.323 1.00 0.96 O ATOM 0 H GLY A 74 -3.288 5.155 -10.041 1.00 0.61 H new ATOM 0 HA2 GLY A 74 -2.699 4.571 -12.122 1.00 0.67 H new ATOM 0 HA3 GLY A 74 -1.511 5.859 -12.130 1.00 0.67 H new ATOM 1037 N VAL A 75 -0.806 3.129 -10.457 1.00 0.55 N ATOM 1038 CA VAL A 75 0.209 2.110 -10.277 1.00 0.61 C ATOM 1039 C VAL A 75 -0.414 0.716 -10.205 1.00 0.80 C ATOM 1040 O VAL A 75 -0.601 0.141 -9.131 1.00 1.70 O ATOM 1041 CB VAL A 75 1.099 2.386 -9.039 1.00 0.63 C ATOM 1042 CG1 VAL A 75 1.955 3.621 -9.269 1.00 1.09 C ATOM 1043 CG2 VAL A 75 0.271 2.556 -7.773 1.00 0.51 C ATOM 0 H VAL A 75 -1.538 3.132 -9.746 1.00 0.55 H new ATOM 0 HA VAL A 75 0.856 2.147 -11.153 1.00 0.61 H new ATOM 0 HB VAL A 75 1.745 1.519 -8.901 1.00 0.63 H new ATOM 0 HG11 VAL A 75 2.575 3.803 -8.391 1.00 1.09 H new ATOM 0 HG12 VAL A 75 2.594 3.464 -10.138 1.00 1.09 H new ATOM 0 HG13 VAL A 75 1.311 4.483 -9.443 1.00 1.09 H new ATOM 0 HG21 VAL A 75 0.933 2.748 -6.928 1.00 0.51 H new ATOM 0 HG22 VAL A 75 -0.413 3.396 -7.896 1.00 0.51 H new ATOM 0 HG23 VAL A 75 -0.300 1.647 -7.587 1.00 0.51 H new ATOM 1053 N ASN A 76 -0.777 0.197 -11.367 1.00 0.78 N ATOM 1054 CA ASN A 76 -1.313 -1.150 -11.468 1.00 0.90 C ATOM 1055 C ASN A 76 -0.186 -2.166 -11.380 1.00 0.81 C ATOM 1056 O ASN A 76 0.495 -2.467 -12.360 1.00 0.99 O ATOM 1057 CB ASN A 76 -2.119 -1.332 -12.760 1.00 1.23 C ATOM 1058 CG ASN A 76 -2.551 -2.771 -12.978 1.00 1.70 C ATOM 1059 OD1 ASN A 76 -1.947 -3.499 -13.766 1.00 2.27 O ATOM 1060 ND2 ASN A 76 -3.576 -3.198 -12.257 1.00 2.31 N ATOM 0 H ASN A 76 -0.710 0.691 -12.257 1.00 0.78 H new ATOM 0 HA ASN A 76 -1.995 -1.313 -10.634 1.00 0.90 H new ATOM 0 HB2 ASN A 76 -3.001 -0.692 -12.727 1.00 1.23 H new ATOM 0 HB3 ASN A 76 -1.518 -1.004 -13.608 1.00 1.23 H new ATOM 0 HD21 ASN A 76 -3.893 -4.164 -12.343 1.00 2.31 H new ATOM 0 HD22 ASN A 76 -4.049 -2.561 -11.615 1.00 2.31 H new ATOM 1067 N ILE A 77 0.030 -2.638 -10.171 1.00 0.78 N ATOM 1068 CA ILE A 77 1.080 -3.603 -9.882 1.00 0.91 C ATOM 1069 C ILE A 77 0.513 -5.023 -9.814 1.00 0.85 C ATOM 1070 O ILE A 77 -0.679 -5.204 -9.568 1.00 0.82 O ATOM 1071 CB ILE A 77 1.801 -3.244 -8.563 1.00 1.19 C ATOM 1072 CG1 ILE A 77 0.779 -2.974 -7.449 1.00 1.12 C ATOM 1073 CG2 ILE A 77 2.708 -2.039 -8.774 1.00 1.83 C ATOM 1074 CD1 ILE A 77 1.373 -2.366 -6.200 1.00 1.17 C ATOM 0 H ILE A 77 -0.517 -2.365 -9.355 1.00 0.78 H new ATOM 0 HA ILE A 77 1.806 -3.566 -10.694 1.00 0.91 H new ATOM 0 HB ILE A 77 2.418 -4.089 -8.256 1.00 1.19 H new ATOM 0 HG12 ILE A 77 0.007 -2.307 -7.833 1.00 1.12 H new ATOM 0 HG13 ILE A 77 0.289 -3.911 -7.186 1.00 1.12 H new ATOM 0 HG21 ILE A 77 3.211 -1.794 -7.839 1.00 1.83 H new ATOM 0 HG22 ILE A 77 3.452 -2.272 -9.536 1.00 1.83 H new ATOM 0 HG23 ILE A 77 2.111 -1.187 -9.099 1.00 1.83 H new ATOM 0 HD11 ILE A 77 0.586 -2.207 -5.463 1.00 1.17 H new ATOM 0 HD12 ILE A 77 2.124 -3.040 -5.789 1.00 1.17 H new ATOM 0 HD13 ILE A 77 1.838 -1.411 -6.446 1.00 1.17 H new ATOM 1086 N PRO A 78 1.356 -6.044 -10.061 1.00 0.96 N ATOM 1087 CA PRO A 78 0.924 -7.451 -10.085 1.00 1.03 C ATOM 1088 C PRO A 78 0.286 -7.910 -8.774 1.00 0.91 C ATOM 1089 O PRO A 78 -0.834 -8.422 -8.771 1.00 1.28 O ATOM 1090 CB PRO A 78 2.219 -8.225 -10.344 1.00 1.24 C ATOM 1091 CG PRO A 78 3.127 -7.237 -10.990 1.00 1.35 C ATOM 1092 CD PRO A 78 2.791 -5.913 -10.367 1.00 1.15 C ATOM 0 HA PRO A 78 0.152 -7.611 -10.838 1.00 1.03 H new ATOM 0 HB2 PRO A 78 2.645 -8.606 -9.416 1.00 1.24 H new ATOM 0 HB3 PRO A 78 2.044 -9.084 -10.991 1.00 1.24 H new ATOM 0 HG2 PRO A 78 4.172 -7.496 -10.821 1.00 1.35 H new ATOM 0 HG3 PRO A 78 2.975 -7.212 -12.069 1.00 1.35 H new ATOM 0 HD2 PRO A 78 3.380 -5.729 -9.468 1.00 1.15 H new ATOM 0 HD3 PRO A 78 2.984 -5.085 -11.050 1.00 1.15 H new ATOM 1100 N TYR A 79 0.998 -7.729 -7.665 1.00 0.89 N ATOM 1101 CA TYR A 79 0.492 -8.150 -6.361 1.00 0.80 C ATOM 1102 C TYR A 79 -0.582 -7.189 -5.859 1.00 0.85 C ATOM 1103 O TYR A 79 -0.805 -6.126 -6.445 1.00 1.07 O ATOM 1104 CB TYR A 79 1.630 -8.275 -5.341 1.00 0.91 C ATOM 1105 CG TYR A 79 2.530 -7.063 -5.245 1.00 0.81 C ATOM 1106 CD1 TYR A 79 2.070 -5.866 -4.712 1.00 0.99 C ATOM 1107 CD2 TYR A 79 3.852 -7.125 -5.672 1.00 0.84 C ATOM 1108 CE1 TYR A 79 2.900 -4.766 -4.607 1.00 1.13 C ATOM 1109 CE2 TYR A 79 4.687 -6.029 -5.574 1.00 0.99 C ATOM 1110 CZ TYR A 79 4.208 -4.850 -5.042 1.00 1.10 C ATOM 1111 OH TYR A 79 5.040 -3.754 -4.940 1.00 1.38 O ATOM 0 H TYR A 79 1.921 -7.296 -7.642 1.00 0.89 H new ATOM 0 HA TYR A 79 0.039 -9.134 -6.480 1.00 0.80 H new ATOM 0 HB2 TYR A 79 1.199 -8.469 -4.359 1.00 0.91 H new ATOM 0 HB3 TYR A 79 2.238 -9.142 -5.600 1.00 0.91 H new ATOM 0 HD1 TYR A 79 1.047 -5.794 -4.374 1.00 0.99 H new ATOM 0 HD2 TYR A 79 4.233 -8.046 -6.088 1.00 0.84 H new ATOM 0 HE1 TYR A 79 2.527 -3.844 -4.186 1.00 1.13 H new ATOM 0 HE2 TYR A 79 5.710 -6.095 -5.912 1.00 0.99 H new ATOM 0 HH TYR A 79 5.926 -3.982 -5.290 1.00 1.38 H new ATOM 1121 N LYS A 80 -1.241 -7.554 -4.770 1.00 0.87 N ATOM 1122 CA LYS A 80 -2.369 -6.773 -4.290 1.00 1.11 C ATOM 1123 C LYS A 80 -2.141 -6.194 -2.904 1.00 1.06 C ATOM 1124 O LYS A 80 -1.782 -6.898 -1.962 1.00 1.49 O ATOM 1125 CB LYS A 80 -3.650 -7.608 -4.309 1.00 1.41 C ATOM 1126 CG LYS A 80 -4.176 -7.856 -5.709 1.00 2.02 C ATOM 1127 CD LYS A 80 -4.298 -6.550 -6.476 1.00 2.55 C ATOM 1128 CE LYS A 80 -4.895 -6.756 -7.856 1.00 3.04 C ATOM 1129 NZ LYS A 80 -5.109 -5.463 -8.553 1.00 3.48 N ATOM 0 H LYS A 80 -1.018 -8.376 -4.208 1.00 0.87 H new ATOM 0 HA LYS A 80 -2.475 -5.930 -4.973 1.00 1.11 H new ATOM 0 HB2 LYS A 80 -3.460 -8.565 -3.824 1.00 1.41 H new ATOM 0 HB3 LYS A 80 -4.417 -7.100 -3.724 1.00 1.41 H new ATOM 0 HG2 LYS A 80 -3.507 -8.534 -6.239 1.00 2.02 H new ATOM 0 HG3 LYS A 80 -5.149 -8.345 -5.656 1.00 2.02 H new ATOM 0 HD2 LYS A 80 -4.920 -5.855 -5.912 1.00 2.55 H new ATOM 0 HD3 LYS A 80 -3.314 -6.092 -6.571 1.00 2.55 H new ATOM 0 HE2 LYS A 80 -4.233 -7.386 -8.450 1.00 3.04 H new ATOM 0 HE3 LYS A 80 -5.844 -7.285 -7.768 1.00 3.04 H new ATOM 0 HZ1 LYS A 80 -5.356 -5.641 -9.547 1.00 3.48 H new ATOM 0 HZ2 LYS A 80 -5.883 -4.944 -8.092 1.00 3.48 H new ATOM 0 HZ3 LYS A 80 -4.238 -4.896 -8.509 1.00 3.48 H new ATOM 1143 N ILE A 81 -2.369 -4.891 -2.806 1.00 1.13 N ATOM 1144 CA ILE A 81 -2.333 -4.174 -1.538 1.00 1.19 C ATOM 1145 C ILE A 81 -3.578 -4.514 -0.717 1.00 1.22 C ATOM 1146 O ILE A 81 -3.609 -4.336 0.498 1.00 1.37 O ATOM 1147 CB ILE A 81 -2.222 -2.640 -1.795 1.00 1.52 C ATOM 1148 CG1 ILE A 81 -2.275 -1.816 -0.493 1.00 2.09 C ATOM 1149 CG2 ILE A 81 -3.298 -2.183 -2.773 1.00 1.88 C ATOM 1150 CD1 ILE A 81 -3.663 -1.347 -0.090 1.00 2.55 C ATOM 0 H ILE A 81 -2.585 -4.299 -3.608 1.00 1.13 H new ATOM 0 HA ILE A 81 -1.456 -4.482 -0.969 1.00 1.19 H new ATOM 0 HB ILE A 81 -1.243 -2.460 -2.239 1.00 1.52 H new ATOM 0 HG12 ILE A 81 -1.861 -2.416 0.317 1.00 2.09 H new ATOM 0 HG13 ILE A 81 -1.631 -0.944 -0.605 1.00 2.09 H new ATOM 0 HG21 ILE A 81 -3.205 -1.110 -2.941 1.00 1.88 H new ATOM 0 HG22 ILE A 81 -3.177 -2.710 -3.719 1.00 1.88 H new ATOM 0 HG23 ILE A 81 -4.282 -2.402 -2.359 1.00 1.88 H new ATOM 0 HD11 ILE A 81 -3.599 -0.776 0.837 1.00 2.55 H new ATOM 0 HD12 ILE A 81 -4.077 -0.716 -0.877 1.00 2.55 H new ATOM 0 HD13 ILE A 81 -4.310 -2.211 0.060 1.00 2.55 H new ATOM 1162 N SER A 82 -4.576 -5.068 -1.397 1.00 1.31 N ATOM 1163 CA SER A 82 -5.875 -5.379 -0.803 1.00 1.50 C ATOM 1164 C SER A 82 -5.818 -6.592 0.147 1.00 1.47 C ATOM 1165 O SER A 82 -6.786 -7.343 0.261 1.00 1.81 O ATOM 1166 CB SER A 82 -6.866 -5.646 -1.934 1.00 1.79 C ATOM 1167 OG SER A 82 -6.696 -4.694 -2.973 1.00 2.45 O ATOM 0 H SER A 82 -4.507 -5.317 -2.384 1.00 1.31 H new ATOM 0 HA SER A 82 -6.190 -4.528 -0.200 1.00 1.50 H new ATOM 0 HB2 SER A 82 -6.718 -6.652 -2.326 1.00 1.79 H new ATOM 0 HB3 SER A 82 -7.886 -5.599 -1.552 1.00 1.79 H new ATOM 0 HG SER A 82 -6.990 -5.082 -3.824 1.00 2.45 H new ATOM 1173 N THR A 83 -4.677 -6.763 0.822 1.00 1.47 N ATOM 1174 CA THR A 83 -4.469 -7.796 1.848 1.00 1.50 C ATOM 1175 C THR A 83 -4.737 -9.213 1.342 1.00 1.59 C ATOM 1176 O THR A 83 -4.908 -10.142 2.131 1.00 1.72 O ATOM 1177 CB THR A 83 -5.298 -7.526 3.131 1.00 1.65 C ATOM 1178 OG1 THR A 83 -6.703 -7.439 2.846 1.00 2.04 O ATOM 1179 CG2 THR A 83 -4.839 -6.239 3.793 1.00 1.68 C ATOM 0 H THR A 83 -3.856 -6.178 0.670 1.00 1.47 H new ATOM 0 HA THR A 83 -3.410 -7.733 2.099 1.00 1.50 H new ATOM 0 HB THR A 83 -5.136 -8.366 3.806 1.00 1.65 H new ATOM 0 HG1 THR A 83 -6.877 -7.788 1.947 1.00 2.04 H new ATOM 0 HG21 THR A 83 -5.429 -6.062 4.692 1.00 1.68 H new ATOM 0 HG22 THR A 83 -3.786 -6.323 4.061 1.00 1.68 H new ATOM 0 HG23 THR A 83 -4.972 -5.407 3.102 1.00 1.68 H new ATOM 1187 N SER A 84 -4.737 -9.384 0.029 1.00 1.68 N ATOM 1188 CA SER A 84 -4.927 -10.694 -0.562 1.00 1.82 C ATOM 1189 C SER A 84 -3.906 -10.913 -1.667 1.00 1.55 C ATOM 1190 O SER A 84 -4.174 -10.662 -2.845 1.00 1.77 O ATOM 1191 CB SER A 84 -6.356 -10.845 -1.102 1.00 2.22 C ATOM 1192 OG SER A 84 -6.631 -12.190 -1.464 1.00 2.76 O ATOM 0 H SER A 84 -4.607 -8.630 -0.646 1.00 1.68 H new ATOM 0 HA SER A 84 -4.780 -11.452 0.207 1.00 1.82 H new ATOM 0 HB2 SER A 84 -7.069 -10.516 -0.346 1.00 2.22 H new ATOM 0 HB3 SER A 84 -6.490 -10.198 -1.969 1.00 2.22 H new ATOM 0 HG SER A 84 -7.548 -12.257 -1.803 1.00 2.76 H new ATOM 1198 N THR A 85 -2.711 -11.326 -1.268 1.00 1.28 N ATOM 1199 CA THR A 85 -1.646 -11.613 -2.211 1.00 1.11 C ATOM 1200 C THR A 85 -0.565 -12.468 -1.548 1.00 0.96 C ATOM 1201 O THR A 85 -0.480 -12.538 -0.317 1.00 1.52 O ATOM 1202 CB THR A 85 -1.033 -10.306 -2.764 1.00 1.30 C ATOM 1203 OG1 THR A 85 -0.314 -10.564 -3.976 1.00 2.05 O ATOM 1204 CG2 THR A 85 -0.099 -9.653 -1.754 1.00 0.91 C ATOM 0 H THR A 85 -2.457 -11.470 -0.291 1.00 1.28 H new ATOM 0 HA THR A 85 -2.071 -12.170 -3.046 1.00 1.11 H new ATOM 0 HB THR A 85 -1.857 -9.622 -2.965 1.00 1.30 H new ATOM 0 HG1 THR A 85 0.645 -10.617 -3.782 1.00 2.05 H new ATOM 0 HG21 THR A 85 0.313 -8.737 -2.178 1.00 0.91 H new ATOM 0 HG22 THR A 85 -0.654 -9.415 -0.846 1.00 0.91 H new ATOM 0 HG23 THR A 85 0.714 -10.339 -1.514 1.00 0.91 H new ATOM 1212 N ASN A 86 0.242 -13.123 -2.367 1.00 1.23 N ATOM 1213 CA ASN A 86 1.312 -13.976 -1.876 1.00 1.36 C ATOM 1214 C ASN A 86 2.547 -13.158 -1.518 1.00 1.10 C ATOM 1215 O ASN A 86 3.389 -12.879 -2.369 1.00 1.53 O ATOM 1216 CB ASN A 86 1.678 -15.025 -2.929 1.00 1.81 C ATOM 1217 CG ASN A 86 2.840 -15.906 -2.502 1.00 2.40 C ATOM 1218 OD1 ASN A 86 3.005 -16.210 -1.322 1.00 3.05 O ATOM 1219 ND2 ASN A 86 3.665 -16.303 -3.459 1.00 2.73 N ATOM 0 H ASN A 86 0.175 -13.079 -3.384 1.00 1.23 H new ATOM 0 HA ASN A 86 0.955 -14.475 -0.975 1.00 1.36 H new ATOM 0 HB2 ASN A 86 0.808 -15.650 -3.130 1.00 1.81 H new ATOM 0 HB3 ASN A 86 1.932 -14.523 -3.863 1.00 1.81 H new ATOM 0 HD21 ASN A 86 4.472 -16.883 -3.229 1.00 2.73 H new ATOM 0 HD22 ASN A 86 3.493 -16.029 -4.426 1.00 2.73 H new ATOM 1226 N CYS A 87 2.649 -12.765 -0.260 1.00 0.87 N ATOM 1227 CA CYS A 87 3.831 -12.059 0.205 1.00 0.72 C ATOM 1228 C CYS A 87 4.890 -13.057 0.649 1.00 0.83 C ATOM 1229 O CYS A 87 5.218 -13.138 1.828 1.00 1.10 O ATOM 1230 CB CYS A 87 3.511 -11.108 1.364 1.00 0.90 C ATOM 1231 SG CYS A 87 2.268 -9.827 0.998 1.00 1.71 S ATOM 0 H CYS A 87 1.935 -12.921 0.452 1.00 0.87 H new ATOM 0 HA CYS A 87 4.204 -11.463 -0.628 1.00 0.72 H new ATOM 0 HB2 CYS A 87 3.162 -11.698 2.211 1.00 0.90 H new ATOM 0 HB3 CYS A 87 4.433 -10.618 1.676 1.00 0.90 H new ATOM 1236 N ASN A 88 5.378 -13.857 -0.285 1.00 0.91 N ATOM 1237 CA ASN A 88 6.493 -14.762 0.000 1.00 1.09 C ATOM 1238 C ASN A 88 7.534 -14.717 -1.106 1.00 1.10 C ATOM 1239 O ASN A 88 8.701 -15.040 -0.889 1.00 1.24 O ATOM 1240 CB ASN A 88 5.998 -16.198 0.209 1.00 1.38 C ATOM 1241 CG ASN A 88 5.256 -16.380 1.521 1.00 2.04 C ATOM 1242 OD1 ASN A 88 4.037 -16.215 1.591 1.00 2.76 O ATOM 1243 ND2 ASN A 88 5.986 -16.715 2.575 1.00 2.55 N ATOM 0 H ASN A 88 5.027 -13.903 -1.242 1.00 0.91 H new ATOM 0 HA ASN A 88 6.962 -14.423 0.924 1.00 1.09 H new ATOM 0 HB2 ASN A 88 5.341 -16.475 -0.616 1.00 1.38 H new ATOM 0 HB3 ASN A 88 6.849 -16.878 0.181 1.00 1.38 H new ATOM 0 HD21 ASN A 88 5.541 -16.845 3.483 1.00 2.55 H new ATOM 0 HD22 ASN A 88 6.993 -16.843 2.478 1.00 2.55 H new ATOM 1250 N SER A 89 7.119 -14.303 -2.289 1.00 1.12 N ATOM 1251 CA SER A 89 8.046 -14.114 -3.383 1.00 1.29 C ATOM 1252 C SER A 89 8.364 -12.641 -3.484 1.00 1.42 C ATOM 1253 O SER A 89 9.499 -12.242 -3.742 1.00 2.21 O ATOM 1254 CB SER A 89 7.448 -14.645 -4.681 1.00 1.53 C ATOM 1255 OG SER A 89 6.116 -14.177 -4.842 1.00 2.11 O ATOM 0 H SER A 89 6.147 -14.092 -2.514 1.00 1.12 H new ATOM 0 HA SER A 89 8.966 -14.669 -3.202 1.00 1.29 H new ATOM 0 HB2 SER A 89 8.057 -14.325 -5.527 1.00 1.53 H new ATOM 0 HB3 SER A 89 7.459 -15.735 -4.674 1.00 1.53 H new ATOM 0 HG SER A 89 5.746 -14.525 -5.680 1.00 2.11 H new ATOM 1261 N ILE A 90 7.333 -11.839 -3.294 1.00 1.14 N ATOM 1262 CA ILE A 90 7.509 -10.442 -3.000 1.00 1.35 C ATOM 1263 C ILE A 90 7.780 -10.302 -1.495 1.00 1.76 C ATOM 1264 O ILE A 90 8.923 -10.181 -1.105 1.00 2.17 O ATOM 1265 CB ILE A 90 6.295 -9.593 -3.477 1.00 1.10 C ATOM 1266 CG1 ILE A 90 6.200 -8.283 -2.704 1.00 1.08 C ATOM 1267 CG2 ILE A 90 4.986 -10.368 -3.394 1.00 1.14 C ATOM 1268 CD1 ILE A 90 7.300 -7.295 -3.029 1.00 0.97 C ATOM 0 H ILE A 90 6.360 -12.141 -3.340 1.00 1.14 H new ATOM 0 HA ILE A 90 8.363 -10.049 -3.552 1.00 1.35 H new ATOM 0 HB ILE A 90 6.466 -9.357 -4.527 1.00 1.10 H new ATOM 0 HG12 ILE A 90 5.236 -7.819 -2.912 1.00 1.08 H new ATOM 0 HG13 ILE A 90 6.225 -8.500 -1.636 1.00 1.08 H new ATOM 0 HG21 ILE A 90 4.167 -9.736 -3.737 1.00 1.14 H new ATOM 0 HG22 ILE A 90 5.048 -11.255 -4.024 1.00 1.14 H new ATOM 0 HG23 ILE A 90 4.806 -10.668 -2.362 1.00 1.14 H new ATOM 0 HD11 ILE A 90 7.162 -6.389 -2.438 1.00 0.97 H new ATOM 0 HD12 ILE A 90 8.268 -7.738 -2.794 1.00 0.97 H new ATOM 0 HD13 ILE A 90 7.263 -7.046 -4.089 1.00 0.97 H new ATOM 1280 N ASN A 91 6.739 -10.394 -0.663 1.00 2.27 N ATOM 1281 CA ASN A 91 6.890 -10.395 0.801 1.00 2.91 C ATOM 1282 C ASN A 91 7.319 -9.026 1.337 1.00 3.60 C ATOM 1283 O ASN A 91 7.121 -8.776 2.539 1.00 4.24 O ATOM 1284 CB ASN A 91 7.859 -11.497 1.256 1.00 3.41 C ATOM 1285 CG ASN A 91 8.025 -11.569 2.766 1.00 4.21 C ATOM 1286 OD1 ASN A 91 8.933 -10.974 3.331 1.00 4.78 O ATOM 1287 ND2 ASN A 91 7.149 -12.308 3.425 1.00 4.68 N ATOM 1288 OXT ASN A 91 7.762 -8.178 0.542 1.00 3.95 O ATOM 0 H ASN A 91 5.772 -10.470 -0.979 1.00 2.27 H new ATOM 0 HA ASN A 91 5.909 -10.610 1.224 1.00 2.91 H new ATOM 0 HB2 ASN A 91 7.500 -12.459 0.891 1.00 3.41 H new ATOM 0 HB3 ASN A 91 8.833 -11.326 0.798 1.00 3.41 H new ATOM 0 HD21 ASN A 91 7.217 -12.397 4.439 1.00 4.68 H new ATOM 0 HD22 ASN A 91 6.405 -12.789 2.920 1.00 4.68 H new TER 1295 ASN A 91