USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 693 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 69 SER OG : rot -126:sc= 1.01 USER MOD Set 1.2: C 71 THR OG1 : rot 180:sc= 0.0262 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= -0.136 X(o=-0.14,f=-0.0075) USER MOD Single : C 13 THR OG1 : rot 180:sc= -0.125 USER MOD Single : C 16 GLN : amide:sc= -4.44! C(o=-4.4!,f=-6.8!) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -2.19! C(o=-2.2!,f=-4.1!) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 180:sc= -0.423 USER MOD Single : C 37 SER OG : rot 180:sc= 0 USER MOD Single : C 38 THR OG1 : rot -74:sc= -0.127 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ -153:sc= -0.966 (180deg=-2.18!) USER MOD Single : C 45 MET CE :methyl 145:sc= -7.2! (180deg=-11.2!) USER MOD Single : C 47 MET CE :methyl -172:sc= -9.51! (180deg=-10.1!) USER MOD Single : C 50 GLN : amide:sc= -2.07 K(o=-2.1,f=-4.5!) USER MOD Single : C 51 ASN : amide:sc= -0.439 K(o=-0.44,f=-2.2) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0.145 USER MOD Single : C 58 GLN : amide:sc= -2! C(o=-2!,f=-9.1!) USER MOD Single : C 60 MET CE :methyl -145:sc= -0.0777 (180deg=-1.6) USER MOD Single : C 80 MET CE :methyl -143:sc= -0.218 (180deg=-1.43!) USER MOD Single : C 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot 180:sc= 0 USER MOD Single : C 85 MET CE :methyl 144:sc= -0.597 (180deg=-1.86!) USER MOD Single : I 3 SER OG : rot 174:sc= -0.773 USER MOD Single : I 7 MET CE :methyl -161:sc= -0.216 (180deg=-1.25) USER MOD Single : I 8 MET CE :methyl -129:sc= -11.7! (180deg=-19.1!) USER MOD Single : I 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE C 4 54.756 -11.102 13.470 1.00 0.00 N ATOM 45 CA ILE C 4 53.537 -10.648 12.742 1.00 0.00 C ATOM 46 C ILE C 4 53.924 -10.022 11.398 1.00 0.00 C ATOM 47 O ILE C 4 53.107 -9.881 10.509 1.00 0.00 O ATOM 48 CB ILE C 4 52.896 -9.603 13.655 1.00 0.00 C ATOM 49 CG1 ILE C 4 52.812 -10.155 15.081 1.00 0.00 C ATOM 50 CG2 ILE C 4 51.489 -9.280 13.151 1.00 0.00 C ATOM 51 CD1 ILE C 4 53.763 -9.374 15.989 1.00 0.00 C ATOM 0 HA ILE C 4 52.857 -11.471 12.524 1.00 0.00 H new ATOM 0 HB ILE C 4 53.501 -8.696 13.650 1.00 0.00 H new ATOM 0 HG12 ILE C 4 51.791 -10.076 15.453 1.00 0.00 H new ATOM 0 HG13 ILE C 4 53.073 -11.213 15.088 1.00 0.00 H new ATOM 0 HG21 ILE C 4 51.032 -8.535 13.802 1.00 0.00 H new ATOM 0 HG22 ILE C 4 51.547 -8.888 12.136 1.00 0.00 H new ATOM 0 HG23 ILE C 4 50.884 -10.187 13.156 1.00 0.00 H new ATOM 0 HD11 ILE C 4 53.703 -9.768 17.004 1.00 0.00 H new ATOM 0 HD12 ILE C 4 54.784 -9.476 15.620 1.00 0.00 H new ATOM 0 HD13 ILE C 4 53.481 -8.321 15.991 1.00 0.00 H new ATOM 63 N TYR C 5 55.164 -9.647 11.243 1.00 0.00 N ATOM 64 CA TYR C 5 55.602 -9.031 9.957 1.00 0.00 C ATOM 65 C TYR C 5 56.205 -10.098 9.040 1.00 0.00 C ATOM 66 O TYR C 5 55.824 -10.233 7.893 1.00 0.00 O ATOM 67 CB TYR C 5 56.661 -8.001 10.350 1.00 0.00 C ATOM 68 CG TYR C 5 56.072 -7.024 11.340 1.00 0.00 C ATOM 69 CD1 TYR C 5 55.212 -6.010 10.897 1.00 0.00 C ATOM 70 CD2 TYR C 5 56.386 -7.132 12.700 1.00 0.00 C ATOM 71 CE1 TYR C 5 54.668 -5.106 11.816 1.00 0.00 C ATOM 72 CE2 TYR C 5 55.840 -6.227 13.618 1.00 0.00 C ATOM 73 CZ TYR C 5 54.981 -5.213 13.176 1.00 0.00 C ATOM 74 OH TYR C 5 54.443 -4.321 14.082 1.00 0.00 O ATOM 0 H TYR C 5 55.893 -9.740 11.950 1.00 0.00 H new ATOM 0 HA TYR C 5 54.774 -8.576 9.414 1.00 0.00 H new ATOM 0 HB2 TYR C 5 57.525 -8.501 10.787 1.00 0.00 H new ATOM 0 HB3 TYR C 5 57.013 -7.471 9.465 1.00 0.00 H new ATOM 0 HD1 TYR C 5 54.970 -5.926 9.848 1.00 0.00 H new ATOM 0 HD2 TYR C 5 57.049 -7.913 13.041 1.00 0.00 H new ATOM 0 HE1 TYR C 5 54.005 -4.324 11.475 1.00 0.00 H new ATOM 0 HE2 TYR C 5 56.081 -6.311 14.667 1.00 0.00 H new ATOM 0 HH TYR C 5 54.762 -4.538 14.983 1.00 0.00 H new ATOM 84 N LYS C 6 57.141 -10.861 9.536 1.00 0.00 N ATOM 85 CA LYS C 6 57.763 -11.920 8.692 1.00 0.00 C ATOM 86 C LYS C 6 56.701 -12.931 8.251 1.00 0.00 C ATOM 87 O LYS C 6 56.838 -13.591 7.241 1.00 0.00 O ATOM 88 CB LYS C 6 58.799 -12.589 9.597 1.00 0.00 C ATOM 89 CG LYS C 6 60.193 -12.063 9.253 1.00 0.00 C ATOM 90 CD LYS C 6 60.855 -11.507 10.516 1.00 0.00 C ATOM 91 CE LYS C 6 60.242 -10.146 10.856 1.00 0.00 C ATOM 92 NZ LYS C 6 61.401 -9.215 10.946 1.00 0.00 N ATOM 0 H LYS C 6 57.501 -10.797 10.488 1.00 0.00 H new ATOM 0 HA LYS C 6 58.215 -11.517 7.786 1.00 0.00 H new ATOM 0 HB2 LYS C 6 58.570 -12.385 10.643 1.00 0.00 H new ATOM 0 HB3 LYS C 6 58.765 -13.671 9.469 1.00 0.00 H new ATOM 0 HG2 LYS C 6 60.802 -12.864 8.833 1.00 0.00 H new ATOM 0 HG3 LYS C 6 60.122 -11.284 8.494 1.00 0.00 H new ATOM 0 HD2 LYS C 6 60.716 -12.198 11.347 1.00 0.00 H new ATOM 0 HD3 LYS C 6 61.929 -11.406 10.362 1.00 0.00 H new ATOM 0 HE2 LYS C 6 59.538 -9.827 10.088 1.00 0.00 H new ATOM 0 HE3 LYS C 6 59.692 -10.184 11.796 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 61.062 -8.259 11.177 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 62.051 -9.540 11.690 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 61.901 -9.194 10.034 1.00 0.00 H new ATOM 106 N ALA C 7 55.641 -13.055 9.004 1.00 0.00 N ATOM 107 CA ALA C 7 54.569 -14.019 8.630 1.00 0.00 C ATOM 108 C ALA C 7 53.702 -13.435 7.510 1.00 0.00 C ATOM 109 O ALA C 7 53.379 -14.103 6.550 1.00 0.00 O ATOM 110 CB ALA C 7 53.748 -14.212 9.904 1.00 0.00 C ATOM 0 H ALA C 7 55.472 -12.530 9.862 1.00 0.00 H new ATOM 0 HA ALA C 7 54.970 -14.963 8.260 1.00 0.00 H new ATOM 0 HB1 ALA C 7 52.935 -14.912 9.710 1.00 0.00 H new ATOM 0 HB2 ALA C 7 54.388 -14.608 10.693 1.00 0.00 H new ATOM 0 HB3 ALA C 7 53.335 -13.254 10.219 1.00 0.00 H new ATOM 116 N ALA C 8 53.326 -12.190 7.626 1.00 0.00 N ATOM 117 CA ALA C 8 52.484 -11.566 6.565 1.00 0.00 C ATOM 118 C ALA C 8 53.222 -11.603 5.224 1.00 0.00 C ATOM 119 O ALA C 8 52.670 -11.983 4.210 1.00 0.00 O ATOM 120 CB ALA C 8 52.271 -10.123 7.023 1.00 0.00 C ATOM 0 H ALA C 8 53.565 -11.579 8.407 1.00 0.00 H new ATOM 0 HA ALA C 8 51.538 -12.089 6.424 1.00 0.00 H new ATOM 0 HB1 ALA C 8 51.658 -9.596 6.292 1.00 0.00 H new ATOM 0 HB2 ALA C 8 51.767 -10.119 7.990 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.236 -9.624 7.115 1.00 0.00 H new ATOM 126 N VAL C 9 54.468 -11.215 5.211 1.00 0.00 N ATOM 127 CA VAL C 9 55.240 -11.232 3.937 1.00 0.00 C ATOM 128 C VAL C 9 55.054 -12.575 3.228 1.00 0.00 C ATOM 129 O VAL C 9 54.620 -12.637 2.095 1.00 0.00 O ATOM 130 CB VAL C 9 56.699 -11.047 4.354 1.00 0.00 C ATOM 131 CG1 VAL C 9 57.567 -10.859 3.109 1.00 0.00 C ATOM 132 CG2 VAL C 9 56.818 -9.811 5.250 1.00 0.00 C ATOM 0 H VAL C 9 54.984 -10.887 6.027 1.00 0.00 H new ATOM 0 HA VAL C 9 54.912 -10.456 3.245 1.00 0.00 H new ATOM 0 HB VAL C 9 57.036 -11.928 4.900 1.00 0.00 H new ATOM 0 HG11 VAL C 9 58.607 -10.727 3.407 1.00 0.00 H new ATOM 0 HG12 VAL C 9 57.481 -11.738 2.470 1.00 0.00 H new ATOM 0 HG13 VAL C 9 57.232 -9.978 2.562 1.00 0.00 H new ATOM 0 HG21 VAL C 9 57.858 -9.677 5.549 1.00 0.00 H new ATOM 0 HG22 VAL C 9 56.481 -8.931 4.702 1.00 0.00 H new ATOM 0 HG23 VAL C 9 56.200 -9.944 6.138 1.00 0.00 H new ATOM 142 N GLU C 10 55.377 -13.653 3.889 1.00 0.00 N ATOM 143 CA GLU C 10 55.219 -14.994 3.257 1.00 0.00 C ATOM 144 C GLU C 10 53.752 -15.235 2.893 1.00 0.00 C ATOM 145 O GLU C 10 53.442 -15.976 1.980 1.00 0.00 O ATOM 146 CB GLU C 10 55.681 -15.990 4.320 1.00 0.00 C ATOM 147 CG GLU C 10 56.390 -17.165 3.645 1.00 0.00 C ATOM 148 CD GLU C 10 56.890 -18.142 4.710 1.00 0.00 C ATOM 149 OE1 GLU C 10 56.790 -17.813 5.880 1.00 0.00 O ATOM 150 OE2 GLU C 10 57.363 -19.203 4.338 1.00 0.00 O ATOM 0 H GLU C 10 55.744 -13.663 4.841 1.00 0.00 H new ATOM 0 HA GLU C 10 55.794 -15.088 2.336 1.00 0.00 H new ATOM 0 HB2 GLU C 10 56.355 -15.501 5.024 1.00 0.00 H new ATOM 0 HB3 GLU C 10 54.826 -16.348 4.894 1.00 0.00 H new ATOM 0 HG2 GLU C 10 55.707 -17.672 2.964 1.00 0.00 H new ATOM 0 HG3 GLU C 10 57.227 -16.803 3.047 1.00 0.00 H new ATOM 157 N GLN C 11 52.847 -14.617 3.600 1.00 0.00 N ATOM 158 CA GLN C 11 51.401 -14.812 3.295 1.00 0.00 C ATOM 159 C GLN C 11 50.907 -13.714 2.351 1.00 0.00 C ATOM 160 O GLN C 11 49.793 -13.242 2.460 1.00 0.00 O ATOM 161 CB GLN C 11 50.696 -14.709 4.646 1.00 0.00 C ATOM 162 CG GLN C 11 50.840 -16.035 5.397 1.00 0.00 C ATOM 163 CD GLN C 11 50.493 -15.827 6.873 1.00 0.00 C ATOM 164 OE1 GLN C 11 49.334 -15.777 7.235 1.00 0.00 O ATOM 165 NE2 GLN C 11 51.455 -15.706 7.746 1.00 0.00 N ATOM 0 H GLN C 11 53.046 -13.985 4.376 1.00 0.00 H new ATOM 0 HA GLN C 11 51.208 -15.766 2.803 1.00 0.00 H new ATOM 0 HB2 GLN C 11 51.127 -13.898 5.233 1.00 0.00 H new ATOM 0 HB3 GLN C 11 49.642 -14.473 4.501 1.00 0.00 H new ATOM 0 HG2 GLN C 11 50.182 -16.786 4.960 1.00 0.00 H new ATOM 0 HG3 GLN C 11 51.859 -16.410 5.302 1.00 0.00 H new ATOM 0 HE21 GLN C 11 52.428 -15.748 7.442 1.00 0.00 H new ATOM 0 HE22 GLN C 11 51.234 -15.569 8.732 1.00 0.00 H new ATOM 174 N LEU C 12 51.728 -13.302 1.424 1.00 0.00 N ATOM 175 CA LEU C 12 51.301 -12.235 0.476 1.00 0.00 C ATOM 176 C LEU C 12 50.905 -12.852 -0.868 1.00 0.00 C ATOM 177 O LEU C 12 51.552 -13.757 -1.361 1.00 0.00 O ATOM 178 CB LEU C 12 52.527 -11.334 0.315 1.00 0.00 C ATOM 179 CG LEU C 12 52.549 -10.293 1.436 1.00 0.00 C ATOM 180 CD1 LEU C 12 53.839 -9.475 1.348 1.00 0.00 C ATOM 181 CD2 LEU C 12 51.344 -9.361 1.287 1.00 0.00 C ATOM 0 H LEU C 12 52.674 -13.657 1.282 1.00 0.00 H new ATOM 0 HA LEU C 12 50.435 -11.681 0.838 1.00 0.00 H new ATOM 0 HB2 LEU C 12 53.437 -11.933 0.343 1.00 0.00 H new ATOM 0 HB3 LEU C 12 52.502 -10.838 -0.655 1.00 0.00 H new ATOM 0 HG LEU C 12 52.504 -10.797 2.402 1.00 0.00 H new ATOM 0 HD11 LEU C 12 53.855 -8.733 2.147 1.00 0.00 H new ATOM 0 HD12 LEU C 12 54.698 -10.138 1.452 1.00 0.00 H new ATOM 0 HD13 LEU C 12 53.885 -8.970 0.383 1.00 0.00 H new ATOM 0 HD21 LEU C 12 51.358 -8.618 2.085 1.00 0.00 H new ATOM 0 HD22 LEU C 12 51.391 -8.857 0.321 1.00 0.00 H new ATOM 0 HD23 LEU C 12 50.424 -9.943 1.349 1.00 0.00 H new ATOM 193 N THR C 13 49.849 -12.373 -1.467 1.00 0.00 N ATOM 194 CA THR C 13 49.417 -12.937 -2.778 1.00 0.00 C ATOM 195 C THR C 13 49.961 -12.086 -3.927 1.00 0.00 C ATOM 196 O THR C 13 50.429 -10.982 -3.727 1.00 0.00 O ATOM 197 CB THR C 13 47.889 -12.885 -2.749 1.00 0.00 C ATOM 198 OG1 THR C 13 47.469 -11.676 -2.132 1.00 0.00 O ATOM 199 CG2 THR C 13 47.351 -14.079 -1.959 1.00 0.00 C ATOM 0 H THR C 13 49.267 -11.617 -1.106 1.00 0.00 H new ATOM 0 HA THR C 13 49.787 -13.951 -2.932 1.00 0.00 H new ATOM 0 HB THR C 13 47.504 -12.925 -3.768 1.00 0.00 H new ATOM 0 HG1 THR C 13 46.490 -11.641 -2.114 1.00 0.00 H new ATOM 0 HG21 THR C 13 46.262 -14.041 -1.939 1.00 0.00 H new ATOM 0 HG22 THR C 13 47.673 -15.005 -2.435 1.00 0.00 H new ATOM 0 HG23 THR C 13 47.734 -14.043 -0.939 1.00 0.00 H new ATOM 207 N GLU C 14 49.903 -12.589 -5.130 1.00 0.00 N ATOM 208 CA GLU C 14 50.416 -11.807 -6.290 1.00 0.00 C ATOM 209 C GLU C 14 49.737 -10.436 -6.345 1.00 0.00 C ATOM 210 O GLU C 14 50.248 -9.502 -6.932 1.00 0.00 O ATOM 211 CB GLU C 14 50.051 -12.638 -7.522 1.00 0.00 C ATOM 212 CG GLU C 14 48.531 -12.783 -7.610 1.00 0.00 C ATOM 213 CD GLU C 14 48.124 -14.189 -7.165 1.00 0.00 C ATOM 214 OE1 GLU C 14 48.985 -15.054 -7.141 1.00 0.00 O ATOM 215 OE2 GLU C 14 46.959 -14.378 -6.856 1.00 0.00 O ATOM 0 H GLU C 14 49.523 -13.507 -5.359 1.00 0.00 H new ATOM 0 HA GLU C 14 51.489 -11.627 -6.225 1.00 0.00 H new ATOM 0 HB2 GLU C 14 50.434 -12.159 -8.423 1.00 0.00 H new ATOM 0 HB3 GLU C 14 50.518 -13.621 -7.461 1.00 0.00 H new ATOM 0 HG2 GLU C 14 48.047 -12.037 -6.980 1.00 0.00 H new ATOM 0 HG3 GLU C 14 48.197 -12.603 -8.632 1.00 0.00 H new ATOM 222 N GLU C 15 48.589 -10.306 -5.738 1.00 0.00 N ATOM 223 CA GLU C 15 47.880 -8.994 -5.756 1.00 0.00 C ATOM 224 C GLU C 15 48.670 -7.953 -4.959 1.00 0.00 C ATOM 225 O GLU C 15 48.780 -6.808 -5.352 1.00 0.00 O ATOM 226 CB GLU C 15 46.529 -9.265 -5.093 1.00 0.00 C ATOM 227 CG GLU C 15 45.773 -10.329 -5.892 1.00 0.00 C ATOM 228 CD GLU C 15 44.801 -9.648 -6.857 1.00 0.00 C ATOM 229 OE1 GLU C 15 45.025 -8.492 -7.173 1.00 0.00 O ATOM 230 OE2 GLU C 15 43.850 -10.294 -7.263 1.00 0.00 O ATOM 0 H GLU C 15 48.111 -11.051 -5.231 1.00 0.00 H new ATOM 0 HA GLU C 15 47.767 -8.600 -6.766 1.00 0.00 H new ATOM 0 HB2 GLU C 15 46.676 -9.602 -4.067 1.00 0.00 H new ATOM 0 HB3 GLU C 15 45.944 -8.346 -5.046 1.00 0.00 H new ATOM 0 HG2 GLU C 15 46.476 -10.951 -6.446 1.00 0.00 H new ATOM 0 HG3 GLU C 15 45.229 -10.988 -5.216 1.00 0.00 H new ATOM 237 N GLN C 16 49.221 -8.341 -3.842 1.00 0.00 N ATOM 238 CA GLN C 16 50.005 -7.372 -3.019 1.00 0.00 C ATOM 239 C GLN C 16 51.424 -7.251 -3.575 1.00 0.00 C ATOM 240 O GLN C 16 51.870 -6.183 -3.944 1.00 0.00 O ATOM 241 CB GLN C 16 50.044 -7.963 -1.604 1.00 0.00 C ATOM 242 CG GLN C 16 48.735 -8.698 -1.299 1.00 0.00 C ATOM 243 CD GLN C 16 48.444 -8.624 0.200 1.00 0.00 C ATOM 244 OE1 GLN C 16 48.655 -9.579 0.921 1.00 0.00 O ATOM 245 NE2 GLN C 16 47.964 -7.520 0.705 1.00 0.00 N ATOM 0 H GLN C 16 49.163 -9.286 -3.462 1.00 0.00 H new ATOM 0 HA GLN C 16 49.559 -6.378 -3.027 1.00 0.00 H new ATOM 0 HB2 GLN C 16 50.885 -8.650 -1.513 1.00 0.00 H new ATOM 0 HB3 GLN C 16 50.201 -7.168 -0.875 1.00 0.00 H new ATOM 0 HG2 GLN C 16 47.915 -8.251 -1.862 1.00 0.00 H new ATOM 0 HG3 GLN C 16 48.808 -9.739 -1.615 1.00 0.00 H new ATOM 0 HE21 GLN C 16 47.787 -6.718 0.101 1.00 0.00 H new ATOM 0 HE22 GLN C 16 47.767 -7.460 1.704 1.00 0.00 H new ATOM 254 N LYS C 17 52.134 -8.343 -3.636 1.00 0.00 N ATOM 255 CA LYS C 17 53.527 -8.302 -4.167 1.00 0.00 C ATOM 256 C LYS C 17 53.587 -7.446 -5.435 1.00 0.00 C ATOM 257 O LYS C 17 54.441 -6.594 -5.581 1.00 0.00 O ATOM 258 CB LYS C 17 53.868 -9.758 -4.487 1.00 0.00 C ATOM 259 CG LYS C 17 54.468 -10.426 -3.248 1.00 0.00 C ATOM 260 CD LYS C 17 53.982 -11.874 -3.162 1.00 0.00 C ATOM 261 CE LYS C 17 55.022 -12.802 -3.796 1.00 0.00 C ATOM 262 NZ LYS C 17 55.269 -13.864 -2.780 1.00 0.00 N ATOM 0 H LYS C 17 51.810 -9.264 -3.341 1.00 0.00 H new ATOM 0 HA LYS C 17 54.228 -7.863 -3.456 1.00 0.00 H new ATOM 0 HB2 LYS C 17 52.972 -10.292 -4.803 1.00 0.00 H new ATOM 0 HB3 LYS C 17 54.574 -9.803 -5.316 1.00 0.00 H new ATOM 0 HG2 LYS C 17 55.556 -10.399 -3.299 1.00 0.00 H new ATOM 0 HG3 LYS C 17 54.177 -9.880 -2.351 1.00 0.00 H new ATOM 0 HD2 LYS C 17 53.818 -12.152 -2.121 1.00 0.00 H new ATOM 0 HD3 LYS C 17 53.026 -11.979 -3.674 1.00 0.00 H new ATOM 0 HE2 LYS C 17 54.653 -13.228 -4.729 1.00 0.00 H new ATOM 0 HE3 LYS C 17 55.939 -12.262 -4.033 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 55.972 -14.537 -3.146 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 55.627 -13.431 -1.905 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 54.381 -14.366 -2.580 1.00 0.00 H new ATOM 276 N ASN C 18 52.689 -7.670 -6.354 1.00 0.00 N ATOM 277 CA ASN C 18 52.696 -6.872 -7.614 1.00 0.00 C ATOM 278 C ASN C 18 52.776 -5.376 -7.297 1.00 0.00 C ATOM 279 O ASN C 18 53.296 -4.596 -8.070 1.00 0.00 O ATOM 280 CB ASN C 18 51.370 -7.203 -8.299 1.00 0.00 C ATOM 281 CG ASN C 18 51.502 -8.522 -9.064 1.00 0.00 C ATOM 282 OD1 ASN C 18 52.575 -9.085 -9.148 1.00 0.00 O ATOM 283 ND2 ASN C 18 50.446 -9.041 -9.629 1.00 0.00 N ATOM 0 H ASN C 18 51.951 -8.371 -6.288 1.00 0.00 H new ATOM 0 HA ASN C 18 53.553 -7.108 -8.245 1.00 0.00 H new ATOM 0 HB2 ASN C 18 50.575 -7.279 -7.557 1.00 0.00 H new ATOM 0 HB3 ASN C 18 51.092 -6.401 -8.983 1.00 0.00 H new ATOM 0 HD21 ASN C 18 50.522 -9.920 -10.141 1.00 0.00 H new ATOM 0 HD22 ASN C 18 49.545 -8.568 -9.558 1.00 0.00 H new ATOM 290 N GLU C 19 52.263 -4.970 -6.168 1.00 0.00 N ATOM 291 CA GLU C 19 52.308 -3.524 -5.807 1.00 0.00 C ATOM 292 C GLU C 19 53.665 -3.173 -5.191 1.00 0.00 C ATOM 293 O GLU C 19 54.280 -2.186 -5.544 1.00 0.00 O ATOM 294 CB GLU C 19 51.191 -3.337 -4.782 1.00 0.00 C ATOM 295 CG GLU C 19 49.834 -3.510 -5.468 1.00 0.00 C ATOM 296 CD GLU C 19 48.973 -2.269 -5.220 1.00 0.00 C ATOM 297 OE1 GLU C 19 49.461 -1.177 -5.457 1.00 0.00 O ATOM 298 OE2 GLU C 19 47.841 -2.434 -4.796 1.00 0.00 O ATOM 0 H GLU C 19 51.815 -5.576 -5.480 1.00 0.00 H new ATOM 0 HA GLU C 19 52.178 -2.878 -6.675 1.00 0.00 H new ATOM 0 HB2 GLU C 19 51.298 -4.063 -3.976 1.00 0.00 H new ATOM 0 HB3 GLU C 19 51.259 -2.347 -4.331 1.00 0.00 H new ATOM 0 HG2 GLU C 19 49.973 -3.661 -6.539 1.00 0.00 H new ATOM 0 HG3 GLU C 19 49.331 -4.397 -5.083 1.00 0.00 H new ATOM 305 N PHE C 20 54.136 -3.970 -4.272 1.00 0.00 N ATOM 306 CA PHE C 20 55.452 -3.678 -3.635 1.00 0.00 C ATOM 307 C PHE C 20 56.567 -3.720 -4.684 1.00 0.00 C ATOM 308 O PHE C 20 57.445 -2.881 -4.701 1.00 0.00 O ATOM 309 CB PHE C 20 55.643 -4.782 -2.596 1.00 0.00 C ATOM 310 CG PHE C 20 54.550 -4.684 -1.560 1.00 0.00 C ATOM 311 CD1 PHE C 20 54.155 -3.431 -1.078 1.00 0.00 C ATOM 312 CD2 PHE C 20 53.929 -5.846 -1.083 1.00 0.00 C ATOM 313 CE1 PHE C 20 53.142 -3.337 -0.118 1.00 0.00 C ATOM 314 CE2 PHE C 20 52.915 -5.752 -0.123 1.00 0.00 C ATOM 315 CZ PHE C 20 52.520 -4.498 0.360 1.00 0.00 C ATOM 0 H PHE C 20 53.667 -4.811 -3.934 1.00 0.00 H new ATOM 0 HA PHE C 20 55.483 -2.687 -3.182 1.00 0.00 H new ATOM 0 HB2 PHE C 20 55.617 -5.759 -3.078 1.00 0.00 H new ATOM 0 HB3 PHE C 20 56.620 -4.686 -2.122 1.00 0.00 H new ATOM 0 HD1 PHE C 20 54.633 -2.536 -1.448 1.00 0.00 H new ATOM 0 HD2 PHE C 20 54.233 -6.813 -1.456 1.00 0.00 H new ATOM 0 HE1 PHE C 20 52.839 -2.370 0.255 1.00 0.00 H new ATOM 0 HE2 PHE C 20 52.437 -6.647 0.246 1.00 0.00 H new ATOM 0 HZ PHE C 20 51.737 -4.426 1.100 1.00 0.00 H new ATOM 325 N LYS C 21 56.538 -4.686 -5.561 1.00 0.00 N ATOM 326 CA LYS C 21 57.597 -4.769 -6.607 1.00 0.00 C ATOM 327 C LYS C 21 57.688 -3.441 -7.361 1.00 0.00 C ATOM 328 O LYS C 21 58.705 -3.110 -7.939 1.00 0.00 O ATOM 329 CB LYS C 21 57.148 -5.890 -7.543 1.00 0.00 C ATOM 330 CG LYS C 21 56.945 -7.177 -6.740 1.00 0.00 C ATOM 331 CD LYS C 21 57.893 -8.259 -7.262 1.00 0.00 C ATOM 332 CE LYS C 21 57.241 -8.989 -8.438 1.00 0.00 C ATOM 333 NZ LYS C 21 57.276 -10.431 -8.064 1.00 0.00 N ATOM 0 H LYS C 21 55.830 -5.419 -5.599 1.00 0.00 H new ATOM 0 HA LYS C 21 58.583 -4.967 -6.186 1.00 0.00 H new ATOM 0 HB2 LYS C 21 56.220 -5.611 -8.043 1.00 0.00 H new ATOM 0 HB3 LYS C 21 57.894 -6.049 -8.321 1.00 0.00 H new ATOM 0 HG2 LYS C 21 57.134 -6.992 -5.683 1.00 0.00 H new ATOM 0 HG3 LYS C 21 55.911 -7.512 -6.825 1.00 0.00 H new ATOM 0 HD2 LYS C 21 58.835 -7.810 -7.577 1.00 0.00 H new ATOM 0 HD3 LYS C 21 58.127 -8.966 -6.466 1.00 0.00 H new ATOM 0 HE2 LYS C 21 56.218 -8.647 -8.597 1.00 0.00 H new ATOM 0 HE3 LYS C 21 57.785 -8.808 -9.365 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 56.845 -10.997 -8.823 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 58.262 -10.730 -7.926 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 56.744 -10.574 -7.182 1.00 0.00 H new ATOM 347 N ALA C 22 56.630 -2.677 -7.359 1.00 0.00 N ATOM 348 CA ALA C 22 56.650 -1.370 -8.073 1.00 0.00 C ATOM 349 C ALA C 22 57.619 -0.407 -7.383 1.00 0.00 C ATOM 350 O ALA C 22 58.600 0.020 -7.961 1.00 0.00 O ATOM 351 CB ALA C 22 55.216 -0.846 -7.979 1.00 0.00 C ATOM 0 H ALA C 22 55.751 -2.902 -6.893 1.00 0.00 H new ATOM 0 HA ALA C 22 56.981 -1.468 -9.107 1.00 0.00 H new ATOM 0 HB1 ALA C 22 55.147 0.118 -8.483 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.538 -1.554 -8.455 1.00 0.00 H new ATOM 0 HB3 ALA C 22 54.940 -0.728 -6.931 1.00 0.00 H new ATOM 357 N ALA C 23 57.358 -0.063 -6.151 1.00 0.00 N ATOM 358 CA ALA C 23 58.272 0.869 -5.430 1.00 0.00 C ATOM 359 C ALA C 23 59.677 0.268 -5.357 1.00 0.00 C ATOM 360 O ALA C 23 60.660 0.928 -5.625 1.00 0.00 O ATOM 361 CB ALA C 23 57.673 1.018 -4.032 1.00 0.00 C ATOM 0 H ALA C 23 56.554 -0.386 -5.614 1.00 0.00 H new ATOM 0 HA ALA C 23 58.363 1.833 -5.932 1.00 0.00 H new ATOM 0 HB1 ALA C 23 58.293 1.692 -3.440 1.00 0.00 H new ATOM 0 HB2 ALA C 23 56.665 1.426 -4.110 1.00 0.00 H new ATOM 0 HB3 ALA C 23 57.633 0.042 -3.547 1.00 0.00 H new ATOM 367 N PHE C 24 59.780 -0.986 -5.005 1.00 0.00 N ATOM 368 CA PHE C 24 61.124 -1.625 -4.930 1.00 0.00 C ATOM 369 C PHE C 24 61.926 -1.273 -6.183 1.00 0.00 C ATOM 370 O PHE C 24 63.120 -1.054 -6.130 1.00 0.00 O ATOM 371 CB PHE C 24 60.846 -3.128 -4.868 1.00 0.00 C ATOM 372 CG PHE C 24 62.144 -3.890 -4.995 1.00 0.00 C ATOM 373 CD1 PHE C 24 62.905 -4.170 -3.853 1.00 0.00 C ATOM 374 CD2 PHE C 24 62.586 -4.315 -6.253 1.00 0.00 C ATOM 375 CE1 PHE C 24 64.106 -4.878 -3.969 1.00 0.00 C ATOM 376 CE2 PHE C 24 63.789 -5.022 -6.369 1.00 0.00 C ATOM 377 CZ PHE C 24 64.550 -5.304 -5.227 1.00 0.00 C ATOM 0 H PHE C 24 58.995 -1.592 -4.767 1.00 0.00 H new ATOM 0 HA PHE C 24 61.704 -1.290 -4.070 1.00 0.00 H new ATOM 0 HB2 PHE C 24 60.356 -3.379 -3.927 1.00 0.00 H new ATOM 0 HB3 PHE C 24 60.164 -3.415 -5.669 1.00 0.00 H new ATOM 0 HD1 PHE C 24 62.565 -3.839 -2.883 1.00 0.00 H new ATOM 0 HD2 PHE C 24 62.000 -4.098 -7.134 1.00 0.00 H new ATOM 0 HE1 PHE C 24 64.691 -5.096 -3.088 1.00 0.00 H new ATOM 0 HE2 PHE C 24 64.131 -5.350 -7.340 1.00 0.00 H new ATOM 0 HZ PHE C 24 65.478 -5.849 -5.317 1.00 0.00 H new ATOM 387 N ASP C 25 61.272 -1.205 -7.311 1.00 0.00 N ATOM 388 CA ASP C 25 61.985 -0.854 -8.572 1.00 0.00 C ATOM 389 C ASP C 25 62.357 0.631 -8.560 1.00 0.00 C ATOM 390 O ASP C 25 63.511 0.994 -8.676 1.00 0.00 O ATOM 391 CB ASP C 25 60.982 -1.149 -9.688 1.00 0.00 C ATOM 392 CG ASP C 25 61.684 -1.898 -10.821 1.00 0.00 C ATOM 393 OD1 ASP C 25 62.897 -1.803 -10.908 1.00 0.00 O ATOM 394 OD2 ASP C 25 60.995 -2.555 -11.585 1.00 0.00 O ATOM 0 H ASP C 25 60.272 -1.378 -7.413 1.00 0.00 H new ATOM 0 HA ASP C 25 62.910 -1.416 -8.701 1.00 0.00 H new ATOM 0 HB2 ASP C 25 60.156 -1.746 -9.301 1.00 0.00 H new ATOM 0 HB3 ASP C 25 60.555 -0.219 -10.063 1.00 0.00 H new ATOM 399 N ILE C 26 61.387 1.493 -8.415 1.00 0.00 N ATOM 400 CA ILE C 26 61.683 2.954 -8.389 1.00 0.00 C ATOM 401 C ILE C 26 62.563 3.288 -7.182 1.00 0.00 C ATOM 402 O ILE C 26 63.244 4.293 -7.155 1.00 0.00 O ATOM 403 CB ILE C 26 60.319 3.635 -8.262 1.00 0.00 C ATOM 404 CG1 ILE C 26 59.603 3.593 -9.613 1.00 0.00 C ATOM 405 CG2 ILE C 26 60.509 5.091 -7.834 1.00 0.00 C ATOM 406 CD1 ILE C 26 58.655 2.395 -9.648 1.00 0.00 C ATOM 0 H ILE C 26 60.402 1.248 -8.313 1.00 0.00 H new ATOM 0 HA ILE C 26 62.220 3.284 -9.279 1.00 0.00 H new ATOM 0 HB ILE C 26 59.722 3.113 -7.514 1.00 0.00 H new ATOM 0 HG12 ILE C 26 59.046 4.516 -9.771 1.00 0.00 H new ATOM 0 HG13 ILE C 26 60.331 3.518 -10.421 1.00 0.00 H new ATOM 0 HG21 ILE C 26 59.536 5.574 -7.744 1.00 0.00 H new ATOM 0 HG22 ILE C 26 61.020 5.124 -6.872 1.00 0.00 H new ATOM 0 HG23 ILE C 26 61.106 5.615 -8.580 1.00 0.00 H new ATOM 0 HD11 ILE C 26 58.144 2.364 -10.610 1.00 0.00 H new ATOM 0 HD12 ILE C 26 59.225 1.476 -9.509 1.00 0.00 H new ATOM 0 HD13 ILE C 26 57.919 2.490 -8.849 1.00 0.00 H new ATOM 418 N PHE C 27 62.556 2.446 -6.183 1.00 0.00 N ATOM 419 CA PHE C 27 63.391 2.709 -4.976 1.00 0.00 C ATOM 420 C PHE C 27 64.871 2.481 -5.301 1.00 0.00 C ATOM 421 O PHE C 27 65.744 3.108 -4.737 1.00 0.00 O ATOM 422 CB PHE C 27 62.912 1.695 -3.935 1.00 0.00 C ATOM 423 CG PHE C 27 61.843 2.316 -3.066 1.00 0.00 C ATOM 424 CD1 PHE C 27 61.096 3.405 -3.536 1.00 0.00 C ATOM 425 CD2 PHE C 27 61.597 1.800 -1.788 1.00 0.00 C ATOM 426 CE1 PHE C 27 60.106 3.976 -2.726 1.00 0.00 C ATOM 427 CE2 PHE C 27 60.607 2.371 -0.980 1.00 0.00 C ATOM 428 CZ PHE C 27 59.861 3.459 -1.449 1.00 0.00 C ATOM 0 H PHE C 27 62.007 1.587 -6.151 1.00 0.00 H new ATOM 0 HA PHE C 27 63.295 3.735 -4.621 1.00 0.00 H new ATOM 0 HB2 PHE C 27 62.519 0.808 -4.432 1.00 0.00 H new ATOM 0 HB3 PHE C 27 63.750 1.370 -3.319 1.00 0.00 H new ATOM 0 HD1 PHE C 27 61.284 3.804 -4.522 1.00 0.00 H new ATOM 0 HD2 PHE C 27 62.172 0.961 -1.425 1.00 0.00 H new ATOM 0 HE1 PHE C 27 59.531 4.816 -3.087 1.00 0.00 H new ATOM 0 HE2 PHE C 27 60.418 1.972 0.006 1.00 0.00 H new ATOM 0 HZ PHE C 27 59.097 3.899 -0.825 1.00 0.00 H new ATOM 438 N VAL C 28 65.155 1.583 -6.205 1.00 0.00 N ATOM 439 CA VAL C 28 66.575 1.308 -6.567 1.00 0.00 C ATOM 440 C VAL C 28 66.862 1.800 -7.988 1.00 0.00 C ATOM 441 O VAL C 28 67.799 1.365 -8.627 1.00 0.00 O ATOM 442 CB VAL C 28 66.706 -0.212 -6.498 1.00 0.00 C ATOM 443 CG1 VAL C 28 66.112 -0.719 -5.183 1.00 0.00 C ATOM 444 CG2 VAL C 28 65.953 -0.837 -7.674 1.00 0.00 C ATOM 0 H VAL C 28 64.464 1.027 -6.709 1.00 0.00 H new ATOM 0 HA VAL C 28 67.277 1.814 -5.905 1.00 0.00 H new ATOM 0 HB VAL C 28 67.759 -0.490 -6.548 1.00 0.00 H new ATOM 0 HG11 VAL C 28 66.206 -1.804 -5.135 1.00 0.00 H new ATOM 0 HG12 VAL C 28 66.647 -0.271 -4.346 1.00 0.00 H new ATOM 0 HG13 VAL C 28 65.059 -0.444 -5.129 1.00 0.00 H new ATOM 0 HG21 VAL C 28 66.044 -1.922 -7.629 1.00 0.00 H new ATOM 0 HG22 VAL C 28 64.900 -0.558 -7.621 1.00 0.00 H new ATOM 0 HG23 VAL C 28 66.377 -0.476 -8.611 1.00 0.00 H new ATOM 454 N LEU C 29 66.060 2.697 -8.488 1.00 0.00 N ATOM 455 CA LEU C 29 66.284 3.208 -9.869 1.00 0.00 C ATOM 456 C LEU C 29 67.688 3.807 -9.996 1.00 0.00 C ATOM 457 O LEU C 29 67.885 4.993 -9.821 1.00 0.00 O ATOM 458 CB LEU C 29 65.221 4.289 -10.068 1.00 0.00 C ATOM 459 CG LEU C 29 64.630 4.174 -11.474 1.00 0.00 C ATOM 460 CD1 LEU C 29 63.672 5.339 -11.724 1.00 0.00 C ATOM 461 CD2 LEU C 29 65.760 4.213 -12.506 1.00 0.00 C ATOM 0 H LEU C 29 65.259 3.099 -8.001 1.00 0.00 H new ATOM 0 HA LEU C 29 66.210 2.418 -10.616 1.00 0.00 H new ATOM 0 HB2 LEU C 29 64.434 4.181 -9.322 1.00 0.00 H new ATOM 0 HB3 LEU C 29 65.661 5.276 -9.927 1.00 0.00 H new ATOM 0 HG LEU C 29 64.087 3.233 -11.563 1.00 0.00 H new ATOM 0 HD11 LEU C 29 63.252 5.256 -12.726 1.00 0.00 H new ATOM 0 HD12 LEU C 29 62.867 5.312 -10.990 1.00 0.00 H new ATOM 0 HD13 LEU C 29 64.213 6.281 -11.635 1.00 0.00 H new ATOM 0 HD21 LEU C 29 65.340 4.131 -13.509 1.00 0.00 H new ATOM 0 HD22 LEU C 29 66.303 5.154 -12.416 1.00 0.00 H new ATOM 0 HD23 LEU C 29 66.443 3.382 -12.330 1.00 0.00 H new ATOM 473 N GLY C 30 68.664 2.996 -10.304 1.00 0.00 N ATOM 474 CA GLY C 30 70.052 3.523 -10.446 1.00 0.00 C ATOM 475 C GLY C 30 70.993 2.761 -9.510 1.00 0.00 C ATOM 476 O GLY C 30 72.187 2.986 -9.499 1.00 0.00 O ATOM 0 H GLY C 30 68.561 1.994 -10.463 1.00 0.00 H new ATOM 0 HA2 GLY C 30 70.387 3.418 -11.478 1.00 0.00 H new ATOM 0 HA3 GLY C 30 70.073 4.587 -10.211 1.00 0.00 H new ATOM 480 N ALA C 31 70.468 1.861 -8.724 1.00 0.00 N ATOM 481 CA ALA C 31 71.338 1.089 -7.790 1.00 0.00 C ATOM 482 C ALA C 31 72.353 0.252 -8.575 1.00 0.00 C ATOM 483 O ALA C 31 72.293 0.160 -9.785 1.00 0.00 O ATOM 484 CB ALA C 31 70.383 0.183 -7.013 1.00 0.00 C ATOM 0 H ALA C 31 69.476 1.627 -8.688 1.00 0.00 H new ATOM 0 HA ALA C 31 71.910 1.741 -7.129 1.00 0.00 H new ATOM 0 HB1 ALA C 31 70.950 -0.419 -6.303 1.00 0.00 H new ATOM 0 HB2 ALA C 31 69.659 0.794 -6.474 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.858 -0.473 -7.707 1.00 0.00 H new ATOM 490 N GLU C 32 73.285 -0.356 -7.894 1.00 0.00 N ATOM 491 CA GLU C 32 74.305 -1.186 -8.596 1.00 0.00 C ATOM 492 C GLU C 32 73.906 -2.663 -8.557 1.00 0.00 C ATOM 493 O GLU C 32 73.984 -3.364 -9.546 1.00 0.00 O ATOM 494 CB GLU C 32 75.601 -0.960 -7.815 1.00 0.00 C ATOM 495 CG GLU C 32 76.777 -1.553 -8.591 1.00 0.00 C ATOM 496 CD GLU C 32 77.634 -0.422 -9.161 1.00 0.00 C ATOM 497 OE1 GLU C 32 77.552 0.677 -8.636 1.00 0.00 O ATOM 498 OE2 GLU C 32 78.355 -0.672 -10.111 1.00 0.00 O ATOM 0 H GLU C 32 73.385 -0.314 -6.880 1.00 0.00 H new ATOM 0 HA GLU C 32 74.407 -0.914 -9.647 1.00 0.00 H new ATOM 0 HB2 GLU C 32 75.759 0.106 -7.654 1.00 0.00 H new ATOM 0 HB3 GLU C 32 75.530 -1.424 -6.831 1.00 0.00 H new ATOM 0 HG2 GLU C 32 77.378 -2.184 -7.936 1.00 0.00 H new ATOM 0 HG3 GLU C 32 76.411 -2.188 -9.398 1.00 0.00 H new ATOM 505 N ASP C 33 73.480 -3.141 -7.420 1.00 0.00 N ATOM 506 CA ASP C 33 73.077 -4.573 -7.317 1.00 0.00 C ATOM 507 C ASP C 33 71.552 -4.688 -7.249 1.00 0.00 C ATOM 508 O ASP C 33 70.958 -5.562 -7.851 1.00 0.00 O ATOM 509 CB ASP C 33 73.711 -5.069 -6.017 1.00 0.00 C ATOM 510 CG ASP C 33 73.926 -6.581 -6.097 1.00 0.00 C ATOM 511 OD1 ASP C 33 74.282 -7.053 -7.164 1.00 0.00 O ATOM 512 OD2 ASP C 33 73.730 -7.242 -5.091 1.00 0.00 O ATOM 0 H ASP C 33 73.393 -2.603 -6.558 1.00 0.00 H new ATOM 0 HA ASP C 33 73.402 -5.158 -8.178 1.00 0.00 H new ATOM 0 HB2 ASP C 33 74.662 -4.564 -5.849 1.00 0.00 H new ATOM 0 HB3 ASP C 33 73.068 -4.827 -5.171 1.00 0.00 H new ATOM 517 N GLY C 34 70.913 -3.813 -6.522 1.00 0.00 N ATOM 518 CA GLY C 34 69.428 -3.871 -6.414 1.00 0.00 C ATOM 519 C GLY C 34 69.013 -3.601 -4.968 1.00 0.00 C ATOM 520 O GLY C 34 68.185 -4.294 -4.409 1.00 0.00 O ATOM 0 H GLY C 34 71.356 -3.059 -5.997 1.00 0.00 H new ATOM 0 HA2 GLY C 34 68.975 -3.134 -7.077 1.00 0.00 H new ATOM 0 HA3 GLY C 34 69.067 -4.850 -6.731 1.00 0.00 H new ATOM 524 N CYS C 35 69.582 -2.599 -4.357 1.00 0.00 N ATOM 525 CA CYS C 35 69.222 -2.284 -2.945 1.00 0.00 C ATOM 526 C CYS C 35 68.904 -0.792 -2.805 1.00 0.00 C ATOM 527 O CYS C 35 68.749 -0.088 -3.782 1.00 0.00 O ATOM 528 CB CYS C 35 70.464 -2.647 -2.133 1.00 0.00 C ATOM 529 SG CYS C 35 71.020 -4.308 -2.590 1.00 0.00 S ATOM 0 H CYS C 35 70.281 -1.984 -4.774 1.00 0.00 H new ATOM 0 HA CYS C 35 68.341 -2.830 -2.608 1.00 0.00 H new ATOM 0 HB2 CYS C 35 71.257 -1.923 -2.318 1.00 0.00 H new ATOM 0 HB3 CYS C 35 70.239 -2.608 -1.067 1.00 0.00 H new ATOM 0 HG CYS C 35 72.078 -4.616 -1.901 1.00 0.00 H new ATOM 535 N ILE C 36 68.805 -0.306 -1.598 1.00 0.00 N ATOM 536 CA ILE C 36 68.496 1.141 -1.406 1.00 0.00 C ATOM 537 C ILE C 36 69.512 1.784 -0.457 1.00 0.00 C ATOM 538 O ILE C 36 70.156 1.116 0.327 1.00 0.00 O ATOM 539 CB ILE C 36 67.097 1.174 -0.791 1.00 0.00 C ATOM 540 CG1 ILE C 36 66.068 0.771 -1.849 1.00 0.00 C ATOM 541 CG2 ILE C 36 66.795 2.590 -0.299 1.00 0.00 C ATOM 542 CD1 ILE C 36 64.903 0.041 -1.176 1.00 0.00 C ATOM 0 H ILE C 36 68.924 -0.844 -0.740 1.00 0.00 H new ATOM 0 HA ILE C 36 68.543 1.696 -2.343 1.00 0.00 H new ATOM 0 HB ILE C 36 67.048 0.478 0.047 1.00 0.00 H new ATOM 0 HG12 ILE C 36 65.704 1.655 -2.372 1.00 0.00 H new ATOM 0 HG13 ILE C 36 66.532 0.127 -2.596 1.00 0.00 H new ATOM 0 HG21 ILE C 36 65.798 2.618 0.140 1.00 0.00 H new ATOM 0 HG22 ILE C 36 67.530 2.879 0.452 1.00 0.00 H new ATOM 0 HG23 ILE C 36 66.841 3.284 -1.138 1.00 0.00 H new ATOM 0 HD11 ILE C 36 64.170 -0.246 -1.930 1.00 0.00 H new ATOM 0 HD12 ILE C 36 65.275 -0.852 -0.673 1.00 0.00 H new ATOM 0 HD13 ILE C 36 64.434 0.700 -0.446 1.00 0.00 H new ATOM 554 N SER C 37 69.656 3.077 -0.528 1.00 0.00 N ATOM 555 CA SER C 37 70.625 3.779 0.360 1.00 0.00 C ATOM 556 C SER C 37 70.238 5.251 0.477 1.00 0.00 C ATOM 557 O SER C 37 71.079 6.118 0.587 1.00 0.00 O ATOM 558 CB SER C 37 71.961 3.648 -0.353 1.00 0.00 C ATOM 559 OG SER C 37 73.014 3.726 0.598 1.00 0.00 O ATOM 0 H SER C 37 69.141 3.682 -1.167 1.00 0.00 H new ATOM 0 HA SER C 37 70.650 3.364 1.368 1.00 0.00 H new ATOM 0 HB2 SER C 37 72.009 2.699 -0.888 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.068 4.438 -1.096 1.00 0.00 H new ATOM 0 HG SER C 37 73.876 3.640 0.140 1.00 0.00 H new ATOM 565 N THR C 38 68.967 5.524 0.427 1.00 0.00 N ATOM 566 CA THR C 38 68.461 6.934 0.505 1.00 0.00 C ATOM 567 C THR C 38 68.721 7.643 -0.826 1.00 0.00 C ATOM 568 O THR C 38 67.829 8.223 -1.413 1.00 0.00 O ATOM 569 CB THR C 38 69.214 7.632 1.652 1.00 0.00 C ATOM 570 OG1 THR C 38 70.417 8.205 1.161 1.00 0.00 O ATOM 571 CG2 THR C 38 69.528 6.634 2.772 1.00 0.00 C ATOM 0 H THR C 38 68.236 4.819 0.333 1.00 0.00 H new ATOM 0 HA THR C 38 67.388 6.959 0.695 1.00 0.00 H new ATOM 0 HB THR C 38 68.581 8.421 2.057 1.00 0.00 H new ATOM 0 HG1 THR C 38 71.073 7.496 0.996 1.00 0.00 H new ATOM 0 HG21 THR C 38 70.060 7.144 3.575 1.00 0.00 H new ATOM 0 HG22 THR C 38 68.598 6.218 3.160 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.149 5.829 2.379 1.00 0.00 H new ATOM 579 N LYS C 39 69.929 7.593 -1.317 1.00 0.00 N ATOM 580 CA LYS C 39 70.223 8.254 -2.619 1.00 0.00 C ATOM 581 C LYS C 39 69.120 7.914 -3.623 1.00 0.00 C ATOM 582 O LYS C 39 68.686 8.748 -4.392 1.00 0.00 O ATOM 583 CB LYS C 39 71.562 7.669 -3.069 1.00 0.00 C ATOM 584 CG LYS C 39 72.599 8.789 -3.171 1.00 0.00 C ATOM 585 CD LYS C 39 72.884 9.088 -4.643 1.00 0.00 C ATOM 586 CE LYS C 39 71.855 10.091 -5.170 1.00 0.00 C ATOM 587 NZ LYS C 39 72.207 10.286 -6.604 1.00 0.00 N ATOM 0 H LYS C 39 70.721 7.126 -0.876 1.00 0.00 H new ATOM 0 HA LYS C 39 70.267 9.340 -2.540 1.00 0.00 H new ATOM 0 HB2 LYS C 39 71.897 6.912 -2.360 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.449 7.174 -4.034 1.00 0.00 H new ATOM 0 HG2 LYS C 39 72.232 9.685 -2.671 1.00 0.00 H new ATOM 0 HG3 LYS C 39 73.518 8.495 -2.664 1.00 0.00 H new ATOM 0 HD2 LYS C 39 73.891 9.491 -4.755 1.00 0.00 H new ATOM 0 HD3 LYS C 39 72.843 8.168 -5.226 1.00 0.00 H new ATOM 0 HE2 LYS C 39 70.840 9.709 -5.061 1.00 0.00 H new ATOM 0 HE3 LYS C 39 71.903 11.031 -4.620 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 71.545 10.962 -7.035 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 73.176 10.656 -6.676 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 72.146 9.376 -7.103 1.00 0.00 H new ATOM 601 N GLU C 40 68.654 6.693 -3.613 1.00 0.00 N ATOM 602 CA GLU C 40 67.568 6.300 -4.558 1.00 0.00 C ATOM 603 C GLU C 40 66.210 6.465 -3.876 1.00 0.00 C ATOM 604 O GLU C 40 65.245 6.893 -4.479 1.00 0.00 O ATOM 605 CB GLU C 40 67.823 4.826 -4.884 1.00 0.00 C ATOM 606 CG GLU C 40 69.319 4.592 -5.099 1.00 0.00 C ATOM 607 CD GLU C 40 69.780 5.352 -6.343 1.00 0.00 C ATOM 608 OE1 GLU C 40 68.971 6.068 -6.910 1.00 0.00 O ATOM 609 OE2 GLU C 40 70.935 5.206 -6.709 1.00 0.00 O ATOM 0 H GLU C 40 68.978 5.952 -2.992 1.00 0.00 H new ATOM 0 HA GLU C 40 67.562 6.915 -5.458 1.00 0.00 H new ATOM 0 HB2 GLU C 40 67.461 4.197 -4.071 1.00 0.00 H new ATOM 0 HB3 GLU C 40 67.269 4.541 -5.779 1.00 0.00 H new ATOM 0 HG2 GLU C 40 69.880 4.927 -4.226 1.00 0.00 H new ATOM 0 HG3 GLU C 40 69.518 3.527 -5.216 1.00 0.00 H new ATOM 616 N LEU C 41 66.132 6.128 -2.617 1.00 0.00 N ATOM 617 CA LEU C 41 64.844 6.260 -1.880 1.00 0.00 C ATOM 618 C LEU C 41 64.394 7.724 -1.858 1.00 0.00 C ATOM 619 O LEU C 41 63.308 8.055 -2.292 1.00 0.00 O ATOM 620 CB LEU C 41 65.155 5.770 -0.464 1.00 0.00 C ATOM 621 CG LEU C 41 63.864 5.330 0.225 1.00 0.00 C ATOM 622 CD1 LEU C 41 62.811 6.427 0.074 1.00 0.00 C ATOM 623 CD2 LEU C 41 63.353 4.039 -0.420 1.00 0.00 C ATOM 0 H LEU C 41 66.909 5.765 -2.065 1.00 0.00 H new ATOM 0 HA LEU C 41 64.038 5.691 -2.343 1.00 0.00 H new ATOM 0 HB2 LEU C 41 65.859 4.939 -0.503 1.00 0.00 H new ATOM 0 HB3 LEU C 41 65.632 6.565 0.110 1.00 0.00 H new ATOM 0 HG LEU C 41 64.058 5.153 1.283 1.00 0.00 H new ATOM 0 HD11 LEU C 41 61.889 6.116 0.565 1.00 0.00 H new ATOM 0 HD12 LEU C 41 63.174 7.346 0.534 1.00 0.00 H new ATOM 0 HD13 LEU C 41 62.618 6.603 -0.984 1.00 0.00 H new ATOM 0 HD21 LEU C 41 62.432 3.726 0.072 1.00 0.00 H new ATOM 0 HD22 LEU C 41 63.158 4.213 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU C 41 64.105 3.257 -0.314 1.00 0.00 H new ATOM 635 N GLY C 42 65.219 8.601 -1.356 1.00 0.00 N ATOM 636 CA GLY C 42 64.837 10.041 -1.307 1.00 0.00 C ATOM 637 C GLY C 42 64.341 10.487 -2.683 1.00 0.00 C ATOM 638 O GLY C 42 63.418 11.267 -2.797 1.00 0.00 O ATOM 0 H GLY C 42 66.141 8.383 -0.978 1.00 0.00 H new ATOM 0 HA2 GLY C 42 64.058 10.196 -0.561 1.00 0.00 H new ATOM 0 HA3 GLY C 42 65.693 10.645 -1.004 1.00 0.00 H new ATOM 642 N LYS C 43 64.946 9.995 -3.731 1.00 0.00 N ATOM 643 CA LYS C 43 64.505 10.392 -5.099 1.00 0.00 C ATOM 644 C LYS C 43 62.984 10.277 -5.217 1.00 0.00 C ATOM 645 O LYS C 43 62.350 11.013 -5.948 1.00 0.00 O ATOM 646 CB LYS C 43 65.193 9.404 -6.041 1.00 0.00 C ATOM 647 CG LYS C 43 66.021 10.174 -7.072 1.00 0.00 C ATOM 648 CD LYS C 43 67.056 9.240 -7.698 1.00 0.00 C ATOM 649 CE LYS C 43 66.684 8.969 -9.158 1.00 0.00 C ATOM 650 NZ LYS C 43 65.239 8.612 -9.127 1.00 0.00 N ATOM 0 H LYS C 43 65.725 9.337 -3.699 1.00 0.00 H new ATOM 0 HA LYS C 43 64.765 11.424 -5.333 1.00 0.00 H new ATOM 0 HB2 LYS C 43 65.835 8.730 -5.473 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.449 8.787 -6.544 1.00 0.00 H new ATOM 0 HG2 LYS C 43 65.370 10.582 -7.845 1.00 0.00 H new ATOM 0 HG3 LYS C 43 66.519 11.019 -6.596 1.00 0.00 H new ATOM 0 HD2 LYS C 43 68.048 9.689 -7.642 1.00 0.00 H new ATOM 0 HD3 LYS C 43 67.099 8.303 -7.143 1.00 0.00 H new ATOM 0 HE2 LYS C 43 66.861 9.847 -9.780 1.00 0.00 H new ATOM 0 HE3 LYS C 43 67.282 8.158 -9.574 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 65.016 7.996 -9.935 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 65.024 8.112 -8.241 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 64.666 9.478 -9.184 1.00 0.00 H new ATOM 664 N VAL C 44 62.392 9.360 -4.503 1.00 0.00 N ATOM 665 CA VAL C 44 60.911 9.199 -4.574 1.00 0.00 C ATOM 666 C VAL C 44 60.226 10.217 -3.657 1.00 0.00 C ATOM 667 O VAL C 44 59.162 10.720 -3.956 1.00 0.00 O ATOM 668 CB VAL C 44 60.643 7.775 -4.086 1.00 0.00 C ATOM 669 CG1 VAL C 44 59.156 7.620 -3.760 1.00 0.00 C ATOM 670 CG2 VAL C 44 61.029 6.779 -5.181 1.00 0.00 C ATOM 0 H VAL C 44 62.869 8.715 -3.873 1.00 0.00 H new ATOM 0 HA VAL C 44 60.525 9.364 -5.580 1.00 0.00 H new ATOM 0 HB VAL C 44 61.235 7.580 -3.192 1.00 0.00 H new ATOM 0 HG11 VAL C 44 58.964 6.605 -3.412 1.00 0.00 H new ATOM 0 HG12 VAL C 44 58.879 8.330 -2.981 1.00 0.00 H new ATOM 0 HG13 VAL C 44 58.565 7.815 -4.655 1.00 0.00 H new ATOM 0 HG21 VAL C 44 60.838 5.764 -4.833 1.00 0.00 H new ATOM 0 HG22 VAL C 44 60.437 6.974 -6.075 1.00 0.00 H new ATOM 0 HG23 VAL C 44 62.088 6.889 -5.416 1.00 0.00 H new ATOM 680 N MET C 45 60.830 10.522 -2.542 1.00 0.00 N ATOM 681 CA MET C 45 60.214 11.505 -1.605 1.00 0.00 C ATOM 682 C MET C 45 59.821 12.778 -2.358 1.00 0.00 C ATOM 683 O MET C 45 58.682 13.202 -2.323 1.00 0.00 O ATOM 684 CB MET C 45 61.302 11.805 -0.573 1.00 0.00 C ATOM 685 CG MET C 45 61.687 10.514 0.154 1.00 0.00 C ATOM 686 SD MET C 45 60.199 9.741 0.836 1.00 0.00 S ATOM 687 CE MET C 45 59.766 8.757 -0.620 1.00 0.00 C ATOM 0 H MET C 45 61.723 10.134 -2.239 1.00 0.00 H new ATOM 0 HA MET C 45 59.307 11.120 -1.139 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.176 12.233 -1.064 1.00 0.00 H new ATOM 0 HB3 MET C 45 60.945 12.545 0.143 1.00 0.00 H new ATOM 0 HG2 MET C 45 62.182 9.830 -0.535 1.00 0.00 H new ATOM 0 HG3 MET C 45 62.396 10.731 0.953 1.00 0.00 H new ATOM 0 HE1 MET C 45 59.333 7.809 -0.302 1.00 0.00 H new ATOM 0 HE2 MET C 45 59.042 9.302 -1.225 1.00 0.00 H new ATOM 0 HE3 MET C 45 60.662 8.567 -1.210 1.00 0.00 H new ATOM 697 N ARG C 46 60.749 13.393 -3.041 1.00 0.00 N ATOM 698 CA ARG C 46 60.412 14.636 -3.793 1.00 0.00 C ATOM 699 C ARG C 46 59.106 14.434 -4.563 1.00 0.00 C ATOM 700 O ARG C 46 58.307 15.338 -4.699 1.00 0.00 O ATOM 701 CB ARG C 46 61.582 14.861 -4.752 1.00 0.00 C ATOM 702 CG ARG C 46 61.851 13.583 -5.548 1.00 0.00 C ATOM 703 CD ARG C 46 62.837 13.886 -6.679 1.00 0.00 C ATOM 704 NE ARG C 46 62.106 14.812 -7.588 1.00 0.00 N ATOM 705 CZ ARG C 46 62.769 15.586 -8.402 1.00 0.00 C ATOM 706 NH1 ARG C 46 63.580 15.066 -9.282 1.00 0.00 N ATOM 707 NH2 ARG C 46 62.622 16.882 -8.335 1.00 0.00 N ATOM 0 H ARG C 46 61.721 13.091 -3.111 1.00 0.00 H new ATOM 0 HA ARG C 46 60.268 15.494 -3.136 1.00 0.00 H new ATOM 0 HB2 ARG C 46 61.355 15.683 -5.431 1.00 0.00 H new ATOM 0 HB3 ARG C 46 62.473 15.147 -4.193 1.00 0.00 H new ATOM 0 HG2 ARG C 46 62.258 12.812 -4.893 1.00 0.00 H new ATOM 0 HG3 ARG C 46 60.919 13.194 -5.958 1.00 0.00 H new ATOM 0 HD2 ARG C 46 63.748 14.346 -6.296 1.00 0.00 H new ATOM 0 HD3 ARG C 46 63.134 12.975 -7.199 1.00 0.00 H new ATOM 0 HE ARG C 46 61.087 14.841 -7.574 1.00 0.00 H new ATOM 0 HH11 ARG C 46 63.696 14.054 -9.334 1.00 0.00 H new ATOM 0 HH12 ARG C 46 64.098 15.672 -9.918 1.00 0.00 H new ATOM 0 HH21 ARG C 46 61.989 17.289 -7.646 1.00 0.00 H new ATOM 0 HH22 ARG C 46 63.140 17.488 -8.971 1.00 0.00 H new ATOM 721 N MET C 47 58.878 13.246 -5.057 1.00 0.00 N ATOM 722 CA MET C 47 57.617 12.979 -5.805 1.00 0.00 C ATOM 723 C MET C 47 56.501 12.630 -4.819 1.00 0.00 C ATOM 724 O MET C 47 55.343 12.920 -5.044 1.00 0.00 O ATOM 725 CB MET C 47 57.931 11.781 -6.704 1.00 0.00 C ATOM 726 CG MET C 47 59.061 12.145 -7.668 1.00 0.00 C ATOM 727 SD MET C 47 59.070 10.978 -9.051 1.00 0.00 S ATOM 728 CE MET C 47 58.985 9.461 -8.068 1.00 0.00 C ATOM 0 H MET C 47 59.511 12.450 -4.974 1.00 0.00 H new ATOM 0 HA MET C 47 57.284 13.840 -6.384 1.00 0.00 H new ATOM 0 HB2 MET C 47 58.220 10.923 -6.096 1.00 0.00 H new ATOM 0 HB3 MET C 47 57.042 11.490 -7.263 1.00 0.00 H new ATOM 0 HG2 MET C 47 58.926 13.162 -8.037 1.00 0.00 H new ATOM 0 HG3 MET C 47 60.019 12.119 -7.149 1.00 0.00 H new ATOM 0 HE1 MET C 47 59.122 8.597 -8.719 1.00 0.00 H new ATOM 0 HE2 MET C 47 59.770 9.473 -7.311 1.00 0.00 H new ATOM 0 HE3 MET C 47 58.012 9.397 -7.581 1.00 0.00 H new ATOM 738 N LEU C 48 56.848 12.012 -3.724 1.00 0.00 N ATOM 739 CA LEU C 48 55.821 11.641 -2.710 1.00 0.00 C ATOM 740 C LEU C 48 55.265 12.901 -2.040 1.00 0.00 C ATOM 741 O LEU C 48 54.301 12.849 -1.302 1.00 0.00 O ATOM 742 CB LEU C 48 56.572 10.779 -1.696 1.00 0.00 C ATOM 743 CG LEU C 48 56.074 9.333 -1.770 1.00 0.00 C ATOM 744 CD1 LEU C 48 54.709 9.231 -1.090 1.00 0.00 C ATOM 745 CD2 LEU C 48 55.948 8.904 -3.234 1.00 0.00 C ATOM 0 H LEU C 48 57.804 11.747 -3.487 1.00 0.00 H new ATOM 0 HA LEU C 48 54.972 11.114 -3.146 1.00 0.00 H new ATOM 0 HB2 LEU C 48 57.643 10.815 -1.898 1.00 0.00 H new ATOM 0 HB3 LEU C 48 56.424 11.173 -0.690 1.00 0.00 H new ATOM 0 HG LEU C 48 56.785 8.680 -1.264 1.00 0.00 H new ATOM 0 HD11 LEU C 48 54.353 8.202 -1.142 1.00 0.00 H new ATOM 0 HD12 LEU C 48 54.799 9.532 -0.046 1.00 0.00 H new ATOM 0 HD13 LEU C 48 54.000 9.886 -1.597 1.00 0.00 H new ATOM 0 HD21 LEU C 48 55.593 7.874 -3.282 1.00 0.00 H new ATOM 0 HD22 LEU C 48 55.239 9.556 -3.745 1.00 0.00 H new ATOM 0 HD23 LEU C 48 56.921 8.976 -3.719 1.00 0.00 H new ATOM 757 N GLY C 49 55.866 14.032 -2.292 1.00 0.00 N ATOM 758 CA GLY C 49 55.374 15.292 -1.670 1.00 0.00 C ATOM 759 C GLY C 49 56.242 15.642 -0.460 1.00 0.00 C ATOM 760 O GLY C 49 55.825 16.359 0.429 1.00 0.00 O ATOM 0 H GLY C 49 56.677 14.137 -2.902 1.00 0.00 H new ATOM 0 HA2 GLY C 49 55.403 16.103 -2.397 1.00 0.00 H new ATOM 0 HA3 GLY C 49 54.335 15.176 -1.363 1.00 0.00 H new ATOM 764 N GLN C 50 57.447 15.143 -0.417 1.00 0.00 N ATOM 765 CA GLN C 50 58.339 15.449 0.738 1.00 0.00 C ATOM 766 C GLN C 50 59.808 15.407 0.301 1.00 0.00 C ATOM 767 O GLN C 50 60.115 15.410 -0.875 1.00 0.00 O ATOM 768 CB GLN C 50 58.051 14.351 1.763 1.00 0.00 C ATOM 769 CG GLN C 50 57.076 14.883 2.816 1.00 0.00 C ATOM 770 CD GLN C 50 55.647 14.491 2.435 1.00 0.00 C ATOM 771 OE1 GLN C 50 55.437 13.524 1.731 1.00 0.00 O ATOM 772 NE2 GLN C 50 54.648 15.207 2.875 1.00 0.00 N ATOM 0 H GLN C 50 57.852 14.537 -1.131 1.00 0.00 H new ATOM 0 HA GLN C 50 58.159 16.444 1.146 1.00 0.00 H new ATOM 0 HB2 GLN C 50 57.627 13.477 1.267 1.00 0.00 H new ATOM 0 HB3 GLN C 50 58.978 14.030 2.239 1.00 0.00 H new ATOM 0 HG2 GLN C 50 57.326 14.477 3.796 1.00 0.00 H new ATOM 0 HG3 GLN C 50 57.159 15.967 2.889 1.00 0.00 H new ATOM 0 HE21 GLN C 50 54.824 16.019 3.466 1.00 0.00 H new ATOM 0 HE22 GLN C 50 53.691 14.954 2.627 1.00 0.00 H new ATOM 781 N ASN C 51 60.716 15.366 1.238 1.00 0.00 N ATOM 782 CA ASN C 51 62.163 15.323 0.873 1.00 0.00 C ATOM 783 C ASN C 51 63.024 15.239 2.136 1.00 0.00 C ATOM 784 O ASN C 51 63.491 16.242 2.639 1.00 0.00 O ATOM 785 CB ASN C 51 62.424 16.634 0.130 1.00 0.00 C ATOM 786 CG ASN C 51 63.227 16.349 -1.141 1.00 0.00 C ATOM 787 OD1 ASN C 51 62.912 15.437 -1.881 1.00 0.00 O ATOM 788 ND2 ASN C 51 64.257 17.096 -1.430 1.00 0.00 N ATOM 0 H ASN C 51 60.520 15.360 2.239 1.00 0.00 H new ATOM 0 HA ASN C 51 62.410 14.454 0.263 1.00 0.00 H new ATOM 0 HB2 ASN C 51 61.479 17.115 -0.124 1.00 0.00 H new ATOM 0 HB3 ASN C 51 62.971 17.325 0.771 1.00 0.00 H new ATOM 0 HD21 ASN C 51 64.797 16.915 -2.276 1.00 0.00 H new ATOM 0 HD22 ASN C 51 64.522 17.861 -0.810 1.00 0.00 H new ATOM 795 N PRO C 52 63.205 14.035 2.607 1.00 0.00 N ATOM 796 CA PRO C 52 64.018 13.804 3.826 1.00 0.00 C ATOM 797 C PRO C 52 65.510 13.960 3.513 1.00 0.00 C ATOM 798 O PRO C 52 65.933 13.842 2.380 1.00 0.00 O ATOM 799 CB PRO C 52 63.694 12.363 4.205 1.00 0.00 C ATOM 800 CG PRO C 52 63.263 11.711 2.929 1.00 0.00 C ATOM 801 CD PRO C 52 62.673 12.787 2.051 1.00 0.00 C ATOM 0 HA PRO C 52 63.799 14.511 4.626 1.00 0.00 H new ATOM 0 HB2 PRO C 52 64.564 11.862 4.629 1.00 0.00 H new ATOM 0 HB3 PRO C 52 62.905 12.321 4.955 1.00 0.00 H new ATOM 0 HG2 PRO C 52 64.110 11.235 2.436 1.00 0.00 H new ATOM 0 HG3 PRO C 52 62.528 10.930 3.126 1.00 0.00 H new ATOM 0 HD2 PRO C 52 62.967 12.657 1.010 1.00 0.00 H new ATOM 0 HD3 PRO C 52 61.583 12.771 2.079 1.00 0.00 H new ATOM 809 N THR C 53 66.310 14.221 4.512 1.00 0.00 N ATOM 810 CA THR C 53 67.773 14.381 4.275 1.00 0.00 C ATOM 811 C THR C 53 68.454 13.009 4.245 1.00 0.00 C ATOM 812 O THR C 53 67.851 12.009 4.577 1.00 0.00 O ATOM 813 CB THR C 53 68.277 15.204 5.463 1.00 0.00 C ATOM 814 OG1 THR C 53 67.456 14.950 6.594 1.00 0.00 O ATOM 815 CG2 THR C 53 68.225 16.692 5.115 1.00 0.00 C ATOM 0 H THR C 53 66.013 14.330 5.482 1.00 0.00 H new ATOM 0 HA THR C 53 67.989 14.865 3.323 1.00 0.00 H new ATOM 0 HB THR C 53 69.306 14.924 5.690 1.00 0.00 H new ATOM 0 HG1 THR C 53 67.778 15.475 7.356 1.00 0.00 H new ATOM 0 HG21 THR C 53 68.584 17.277 5.962 1.00 0.00 H new ATOM 0 HG22 THR C 53 68.856 16.885 4.247 1.00 0.00 H new ATOM 0 HG23 THR C 53 67.198 16.977 4.887 1.00 0.00 H new ATOM 823 N PRO C 54 69.698 13.011 3.845 1.00 0.00 N ATOM 824 CA PRO C 54 70.475 11.750 3.768 1.00 0.00 C ATOM 825 C PRO C 54 70.829 11.256 5.174 1.00 0.00 C ATOM 826 O PRO C 54 71.040 10.079 5.394 1.00 0.00 O ATOM 827 CB PRO C 54 71.730 12.150 2.997 1.00 0.00 C ATOM 828 CG PRO C 54 71.875 13.620 3.229 1.00 0.00 C ATOM 829 CD PRO C 54 70.488 14.175 3.431 1.00 0.00 C ATOM 0 HA PRO C 54 69.930 10.937 3.289 1.00 0.00 H new ATOM 0 HB2 PRO C 54 72.604 11.606 3.356 1.00 0.00 H new ATOM 0 HB3 PRO C 54 71.629 11.926 1.935 1.00 0.00 H new ATOM 0 HG2 PRO C 54 72.498 13.813 4.102 1.00 0.00 H new ATOM 0 HG3 PRO C 54 72.361 14.098 2.379 1.00 0.00 H new ATOM 0 HD2 PRO C 54 70.477 14.956 4.191 1.00 0.00 H new ATOM 0 HD3 PRO C 54 70.097 14.617 2.514 1.00 0.00 H new ATOM 837 N GLU C 55 70.896 12.143 6.127 1.00 0.00 N ATOM 838 CA GLU C 55 71.234 11.721 7.516 1.00 0.00 C ATOM 839 C GLU C 55 70.018 11.072 8.182 1.00 0.00 C ATOM 840 O GLU C 55 70.144 10.157 8.971 1.00 0.00 O ATOM 841 CB GLU C 55 71.622 13.009 8.242 1.00 0.00 C ATOM 842 CG GLU C 55 72.898 12.773 9.054 1.00 0.00 C ATOM 843 CD GLU C 55 72.543 12.092 10.377 1.00 0.00 C ATOM 844 OE1 GLU C 55 71.969 11.017 10.332 1.00 0.00 O ATOM 845 OE2 GLU C 55 72.853 12.657 11.412 1.00 0.00 O ATOM 0 H GLU C 55 70.731 13.142 6.005 1.00 0.00 H new ATOM 0 HA GLU C 55 72.038 10.986 7.539 1.00 0.00 H new ATOM 0 HB2 GLU C 55 71.780 13.812 7.522 1.00 0.00 H new ATOM 0 HB3 GLU C 55 70.813 13.326 8.900 1.00 0.00 H new ATOM 0 HG2 GLU C 55 73.592 12.152 8.488 1.00 0.00 H new ATOM 0 HG3 GLU C 55 73.401 13.721 9.244 1.00 0.00 H new ATOM 852 N GLU C 56 68.839 11.538 7.870 1.00 0.00 N ATOM 853 CA GLU C 56 67.618 10.944 8.486 1.00 0.00 C ATOM 854 C GLU C 56 67.093 9.797 7.619 1.00 0.00 C ATOM 855 O GLU C 56 66.590 8.810 8.117 1.00 0.00 O ATOM 856 CB GLU C 56 66.603 12.086 8.540 1.00 0.00 C ATOM 857 CG GLU C 56 65.897 12.076 9.898 1.00 0.00 C ATOM 858 CD GLU C 56 65.661 13.515 10.361 1.00 0.00 C ATOM 859 OE1 GLU C 56 66.633 14.238 10.502 1.00 0.00 O ATOM 860 OE2 GLU C 56 64.512 13.868 10.568 1.00 0.00 O ATOM 0 H GLU C 56 68.669 12.303 7.217 1.00 0.00 H new ATOM 0 HA GLU C 56 67.815 10.529 9.475 1.00 0.00 H new ATOM 0 HB2 GLU C 56 67.105 13.041 8.386 1.00 0.00 H new ATOM 0 HB3 GLU C 56 65.873 11.977 7.738 1.00 0.00 H new ATOM 0 HG2 GLU C 56 64.947 11.547 9.822 1.00 0.00 H new ATOM 0 HG3 GLU C 56 66.502 11.542 10.630 1.00 0.00 H new ATOM 867 N LEU C 57 67.208 9.918 6.323 1.00 0.00 N ATOM 868 CA LEU C 57 66.718 8.830 5.427 1.00 0.00 C ATOM 869 C LEU C 57 67.118 7.468 5.995 1.00 0.00 C ATOM 870 O LEU C 57 66.366 6.514 5.941 1.00 0.00 O ATOM 871 CB LEU C 57 67.415 9.073 4.088 1.00 0.00 C ATOM 872 CG LEU C 57 66.492 9.871 3.166 1.00 0.00 C ATOM 873 CD1 LEU C 57 67.333 10.655 2.157 1.00 0.00 C ATOM 874 CD2 LEU C 57 65.567 8.909 2.416 1.00 0.00 C ATOM 0 H LEU C 57 67.619 10.721 5.847 1.00 0.00 H new ATOM 0 HA LEU C 57 65.633 8.833 5.327 1.00 0.00 H new ATOM 0 HB2 LEU C 57 68.347 9.616 4.245 1.00 0.00 H new ATOM 0 HB3 LEU C 57 67.675 8.122 3.624 1.00 0.00 H new ATOM 0 HG LEU C 57 65.896 10.564 3.760 1.00 0.00 H new ATOM 0 HD11 LEU C 57 66.676 11.224 1.500 1.00 0.00 H new ATOM 0 HD12 LEU C 57 67.995 11.339 2.688 1.00 0.00 H new ATOM 0 HD13 LEU C 57 67.929 9.962 1.563 1.00 0.00 H new ATOM 0 HD21 LEU C 57 64.908 9.476 1.758 1.00 0.00 H new ATOM 0 HD22 LEU C 57 66.165 8.218 1.822 1.00 0.00 H new ATOM 0 HD23 LEU C 57 64.968 8.347 3.133 1.00 0.00 H new ATOM 886 N GLN C 58 68.300 7.370 6.541 1.00 0.00 N ATOM 887 CA GLN C 58 68.752 6.072 7.116 1.00 0.00 C ATOM 888 C GLN C 58 67.642 5.462 7.976 1.00 0.00 C ATOM 889 O GLN C 58 67.521 4.259 8.092 1.00 0.00 O ATOM 890 CB GLN C 58 69.969 6.426 7.971 1.00 0.00 C ATOM 891 CG GLN C 58 71.093 5.422 7.708 1.00 0.00 C ATOM 892 CD GLN C 58 70.762 4.092 8.386 1.00 0.00 C ATOM 893 OE1 GLN C 58 70.015 4.055 9.345 1.00 0.00 O ATOM 894 NE2 GLN C 58 71.288 2.990 7.928 1.00 0.00 N ATOM 0 H GLN C 58 68.972 8.134 6.613 1.00 0.00 H new ATOM 0 HA GLN C 58 68.995 5.337 6.349 1.00 0.00 H new ATOM 0 HB2 GLN C 58 70.308 7.435 7.738 1.00 0.00 H new ATOM 0 HB3 GLN C 58 69.699 6.416 9.027 1.00 0.00 H new ATOM 0 HG2 GLN C 58 71.218 5.274 6.635 1.00 0.00 H new ATOM 0 HG3 GLN C 58 72.038 5.810 8.088 1.00 0.00 H new ATOM 0 HE21 GLN C 58 71.915 3.020 7.124 1.00 0.00 H new ATOM 0 HE22 GLN C 58 71.073 2.098 8.374 1.00 0.00 H new ATOM 903 N GLU C 59 66.825 6.285 8.578 1.00 0.00 N ATOM 904 CA GLU C 59 65.719 5.751 9.424 1.00 0.00 C ATOM 905 C GLU C 59 64.831 4.822 8.594 1.00 0.00 C ATOM 906 O GLU C 59 64.433 3.764 9.040 1.00 0.00 O ATOM 907 CB GLU C 59 64.934 6.984 9.875 1.00 0.00 C ATOM 908 CG GLU C 59 63.806 6.556 10.816 1.00 0.00 C ATOM 909 CD GLU C 59 63.911 7.335 12.128 1.00 0.00 C ATOM 910 OE1 GLU C 59 64.649 8.307 12.159 1.00 0.00 O ATOM 911 OE2 GLU C 59 63.252 6.948 13.078 1.00 0.00 O ATOM 0 H GLU C 59 66.876 7.302 8.520 1.00 0.00 H new ATOM 0 HA GLU C 59 66.085 5.172 10.272 1.00 0.00 H new ATOM 0 HB2 GLU C 59 65.597 7.685 10.381 1.00 0.00 H new ATOM 0 HB3 GLU C 59 64.522 7.503 9.009 1.00 0.00 H new ATOM 0 HG2 GLU C 59 62.839 6.740 10.348 1.00 0.00 H new ATOM 0 HG3 GLU C 59 63.867 5.485 11.011 1.00 0.00 H new ATOM 918 N MET C 60 64.524 5.208 7.386 1.00 0.00 N ATOM 919 CA MET C 60 63.669 4.346 6.521 1.00 0.00 C ATOM 920 C MET C 60 64.384 3.024 6.236 1.00 0.00 C ATOM 921 O MET C 60 63.767 2.025 5.923 1.00 0.00 O ATOM 922 CB MET C 60 63.484 5.142 5.230 1.00 0.00 C ATOM 923 CG MET C 60 62.183 5.943 5.300 1.00 0.00 C ATOM 924 SD MET C 60 61.491 6.114 3.636 1.00 0.00 S ATOM 925 CE MET C 60 60.986 7.846 3.776 1.00 0.00 C ATOM 0 H MET C 60 64.828 6.083 6.960 1.00 0.00 H new ATOM 0 HA MET C 60 62.715 4.102 6.989 1.00 0.00 H new ATOM 0 HB2 MET C 60 64.329 5.815 5.082 1.00 0.00 H new ATOM 0 HB3 MET C 60 63.461 4.466 4.375 1.00 0.00 H new ATOM 0 HG2 MET C 60 61.469 5.441 5.953 1.00 0.00 H new ATOM 0 HG3 MET C 60 62.371 6.927 5.730 1.00 0.00 H new ATOM 0 HE1 MET C 60 60.063 8.002 3.218 1.00 0.00 H new ATOM 0 HE2 MET C 60 60.822 8.094 4.825 1.00 0.00 H new ATOM 0 HE3 MET C 60 61.768 8.487 3.370 1.00 0.00 H new ATOM 935 N ILE C 61 65.686 3.014 6.339 1.00 0.00 N ATOM 936 CA ILE C 61 66.448 1.761 6.071 1.00 0.00 C ATOM 937 C ILE C 61 66.754 1.027 7.380 1.00 0.00 C ATOM 938 O ILE C 61 66.656 -0.180 7.462 1.00 0.00 O ATOM 939 CB ILE C 61 67.742 2.227 5.404 1.00 0.00 C ATOM 940 CG1 ILE C 61 67.431 2.731 3.993 1.00 0.00 C ATOM 941 CG2 ILE C 61 68.727 1.060 5.324 1.00 0.00 C ATOM 942 CD1 ILE C 61 67.087 4.220 4.047 1.00 0.00 C ATOM 0 H ILE C 61 66.255 3.820 6.597 1.00 0.00 H new ATOM 0 HA ILE C 61 65.889 1.065 5.446 1.00 0.00 H new ATOM 0 HB ILE C 61 68.184 3.032 5.991 1.00 0.00 H new ATOM 0 HG12 ILE C 61 68.289 2.569 3.340 1.00 0.00 H new ATOM 0 HG13 ILE C 61 66.598 2.170 3.570 1.00 0.00 H new ATOM 0 HG21 ILE C 61 69.649 1.394 4.848 1.00 0.00 H new ATOM 0 HG22 ILE C 61 68.947 0.700 6.329 1.00 0.00 H new ATOM 0 HG23 ILE C 61 68.288 0.253 4.738 1.00 0.00 H new ATOM 0 HD11 ILE C 61 66.866 4.579 3.042 1.00 0.00 H new ATOM 0 HD12 ILE C 61 66.216 4.369 4.686 1.00 0.00 H new ATOM 0 HD13 ILE C 61 67.934 4.775 4.452 1.00 0.00 H new ATOM 954 N ASP C 62 67.129 1.747 8.403 1.00 0.00 N ATOM 955 CA ASP C 62 67.447 1.089 9.705 1.00 0.00 C ATOM 956 C ASP C 62 66.180 0.512 10.342 1.00 0.00 C ATOM 957 O ASP C 62 66.245 -0.292 11.250 1.00 0.00 O ATOM 958 CB ASP C 62 68.025 2.203 10.580 1.00 0.00 C ATOM 959 CG ASP C 62 68.049 1.744 12.039 1.00 0.00 C ATOM 960 OD1 ASP C 62 68.246 0.561 12.264 1.00 0.00 O ATOM 961 OD2 ASP C 62 67.873 2.584 12.906 1.00 0.00 O ATOM 0 H ASP C 62 67.229 2.762 8.394 1.00 0.00 H new ATOM 0 HA ASP C 62 68.142 0.258 9.583 1.00 0.00 H new ATOM 0 HB2 ASP C 62 69.033 2.454 10.250 1.00 0.00 H new ATOM 0 HB3 ASP C 62 67.423 3.107 10.482 1.00 0.00 H new ATOM 966 N GLU C 63 65.030 0.914 9.878 1.00 0.00 N ATOM 967 CA GLU C 63 63.766 0.384 10.467 1.00 0.00 C ATOM 968 C GLU C 63 63.565 -1.082 10.069 1.00 0.00 C ATOM 969 O GLU C 63 62.795 -1.798 10.677 1.00 0.00 O ATOM 970 CB GLU C 63 62.658 1.255 9.875 1.00 0.00 C ATOM 971 CG GLU C 63 62.307 2.373 10.860 1.00 0.00 C ATOM 972 CD GLU C 63 61.106 3.159 10.332 1.00 0.00 C ATOM 973 OE1 GLU C 63 61.265 3.848 9.338 1.00 0.00 O ATOM 974 OE2 GLU C 63 60.048 3.060 10.932 1.00 0.00 O ATOM 0 H GLU C 63 64.909 1.584 9.119 1.00 0.00 H new ATOM 0 HA GLU C 63 63.775 0.417 11.556 1.00 0.00 H new ATOM 0 HB2 GLU C 63 62.983 1.681 8.926 1.00 0.00 H new ATOM 0 HB3 GLU C 63 61.776 0.649 9.667 1.00 0.00 H new ATOM 0 HG2 GLU C 63 62.077 1.951 11.839 1.00 0.00 H new ATOM 0 HG3 GLU C 63 63.161 3.038 10.992 1.00 0.00 H new ATOM 981 N VAL C 64 64.249 -1.531 9.053 1.00 0.00 N ATOM 982 CA VAL C 64 64.091 -2.949 8.619 1.00 0.00 C ATOM 983 C VAL C 64 65.445 -3.530 8.195 1.00 0.00 C ATOM 984 O VAL C 64 65.531 -4.311 7.267 1.00 0.00 O ATOM 985 CB VAL C 64 63.134 -2.893 7.428 1.00 0.00 C ATOM 986 CG1 VAL C 64 61.787 -2.328 7.881 1.00 0.00 C ATOM 987 CG2 VAL C 64 63.725 -1.991 6.343 1.00 0.00 C ATOM 0 H VAL C 64 64.909 -0.979 8.505 1.00 0.00 H new ATOM 0 HA VAL C 64 63.711 -3.585 9.418 1.00 0.00 H new ATOM 0 HB VAL C 64 62.991 -3.897 7.030 1.00 0.00 H new ATOM 0 HG11 VAL C 64 61.105 -2.288 7.032 1.00 0.00 H new ATOM 0 HG12 VAL C 64 61.365 -2.969 8.655 1.00 0.00 H new ATOM 0 HG13 VAL C 64 61.929 -1.323 8.279 1.00 0.00 H new ATOM 0 HG21 VAL C 64 63.044 -1.950 5.493 1.00 0.00 H new ATOM 0 HG22 VAL C 64 63.868 -0.987 6.742 1.00 0.00 H new ATOM 0 HG23 VAL C 64 64.685 -2.392 6.019 1.00 0.00 H new ATOM 997 N ASP C 65 66.501 -3.157 8.864 1.00 0.00 N ATOM 998 CA ASP C 65 67.845 -3.690 8.496 1.00 0.00 C ATOM 999 C ASP C 65 68.264 -4.789 9.475 1.00 0.00 C ATOM 1000 O ASP C 65 68.938 -4.537 10.454 1.00 0.00 O ATOM 1001 CB ASP C 65 68.789 -2.492 8.597 1.00 0.00 C ATOM 1002 CG ASP C 65 70.164 -2.879 8.051 1.00 0.00 C ATOM 1003 OD1 ASP C 65 70.908 -3.520 8.774 1.00 0.00 O ATOM 1004 OD2 ASP C 65 70.450 -2.527 6.919 1.00 0.00 O ATOM 0 H ASP C 65 66.492 -2.506 9.650 1.00 0.00 H new ATOM 0 HA ASP C 65 67.855 -4.132 7.500 1.00 0.00 H new ATOM 0 HB2 ASP C 65 68.386 -1.650 8.034 1.00 0.00 H new ATOM 0 HB3 ASP C 65 68.875 -2.170 9.635 1.00 0.00 H new ATOM 1009 N GLU C 66 67.871 -6.007 9.219 1.00 0.00 N ATOM 1010 CA GLU C 66 68.248 -7.122 10.135 1.00 0.00 C ATOM 1011 C GLU C 66 69.478 -7.856 9.597 1.00 0.00 C ATOM 1012 O GLU C 66 69.734 -8.993 9.942 1.00 0.00 O ATOM 1013 CB GLU C 66 67.033 -8.050 10.149 1.00 0.00 C ATOM 1014 CG GLU C 66 66.836 -8.655 8.758 1.00 0.00 C ATOM 1015 CD GLU C 66 65.341 -8.737 8.444 1.00 0.00 C ATOM 1016 OE1 GLU C 66 64.566 -8.861 9.378 1.00 0.00 O ATOM 1017 OE2 GLU C 66 64.997 -8.674 7.276 1.00 0.00 O ATOM 0 H GLU C 66 67.305 -6.279 8.415 1.00 0.00 H new ATOM 0 HA GLU C 66 68.502 -6.768 11.134 1.00 0.00 H new ATOM 0 HB2 GLU C 66 67.175 -8.842 10.885 1.00 0.00 H new ATOM 0 HB3 GLU C 66 66.142 -7.496 10.446 1.00 0.00 H new ATOM 0 HG2 GLU C 66 67.343 -8.046 8.010 1.00 0.00 H new ATOM 0 HG3 GLU C 66 67.282 -9.648 8.715 1.00 0.00 H new ATOM 1024 N ASP C 67 70.242 -7.217 8.754 1.00 0.00 N ATOM 1025 CA ASP C 67 71.454 -7.883 8.196 1.00 0.00 C ATOM 1026 C ASP C 67 72.689 -7.006 8.422 1.00 0.00 C ATOM 1027 O ASP C 67 73.804 -7.408 8.160 1.00 0.00 O ATOM 1028 CB ASP C 67 71.170 -8.037 6.702 1.00 0.00 C ATOM 1029 CG ASP C 67 70.976 -6.656 6.072 1.00 0.00 C ATOM 1030 OD1 ASP C 67 70.519 -5.768 6.771 1.00 0.00 O ATOM 1031 OD2 ASP C 67 71.287 -6.512 4.901 1.00 0.00 O ATOM 0 H ASP C 67 70.080 -6.264 8.428 1.00 0.00 H new ATOM 0 HA ASP C 67 71.655 -8.843 8.672 1.00 0.00 H new ATOM 0 HB2 ASP C 67 71.996 -8.557 6.216 1.00 0.00 H new ATOM 0 HB3 ASP C 67 70.278 -8.645 6.552 1.00 0.00 H new ATOM 1036 N GLY C 68 72.497 -5.812 8.912 1.00 0.00 N ATOM 1037 CA GLY C 68 73.659 -4.912 9.158 1.00 0.00 C ATOM 1038 C GLY C 68 74.378 -4.628 7.839 1.00 0.00 C ATOM 1039 O GLY C 68 75.589 -4.680 7.757 1.00 0.00 O ATOM 0 H GLY C 68 71.586 -5.421 9.153 1.00 0.00 H new ATOM 0 HA2 GLY C 68 73.320 -3.978 9.607 1.00 0.00 H new ATOM 0 HA3 GLY C 68 74.347 -5.375 9.866 1.00 0.00 H new ATOM 1043 N SER C 69 73.643 -4.323 6.804 1.00 0.00 N ATOM 1044 CA SER C 69 74.289 -4.032 5.492 1.00 0.00 C ATOM 1045 C SER C 69 74.176 -2.539 5.169 1.00 0.00 C ATOM 1046 O SER C 69 75.026 -1.969 4.515 1.00 0.00 O ATOM 1047 CB SER C 69 73.510 -4.861 4.472 1.00 0.00 C ATOM 1048 OG SER C 69 72.292 -4.199 4.159 1.00 0.00 O ATOM 0 H SER C 69 72.625 -4.263 6.810 1.00 0.00 H new ATOM 0 HA SER C 69 75.351 -4.279 5.490 1.00 0.00 H new ATOM 0 HB2 SER C 69 74.104 -4.999 3.569 1.00 0.00 H new ATOM 0 HB3 SER C 69 73.305 -5.853 4.874 1.00 0.00 H new ATOM 0 HG SER C 69 71.540 -4.811 4.304 1.00 0.00 H new ATOM 1054 N GLY C 70 73.133 -1.903 5.628 1.00 0.00 N ATOM 1055 CA GLY C 70 72.967 -0.447 5.351 1.00 0.00 C ATOM 1056 C GLY C 70 71.957 -0.252 4.219 1.00 0.00 C ATOM 1057 O GLY C 70 71.202 0.701 4.206 1.00 0.00 O ATOM 0 H GLY C 70 72.389 -2.327 6.182 1.00 0.00 H new ATOM 0 HA2 GLY C 70 72.626 0.068 6.249 1.00 0.00 H new ATOM 0 HA3 GLY C 70 73.926 -0.007 5.076 1.00 0.00 H new ATOM 1061 N THR C 71 71.936 -1.144 3.267 1.00 0.00 N ATOM 1062 CA THR C 71 70.973 -1.003 2.137 1.00 0.00 C ATOM 1063 C THR C 71 69.773 -1.934 2.343 1.00 0.00 C ATOM 1064 O THR C 71 69.864 -2.942 3.015 1.00 0.00 O ATOM 1065 CB THR C 71 71.760 -1.407 0.890 1.00 0.00 C ATOM 1066 OG1 THR C 71 72.318 -2.700 1.082 1.00 0.00 O ATOM 1067 CG2 THR C 71 72.882 -0.396 0.643 1.00 0.00 C ATOM 0 H THR C 71 72.542 -1.963 3.222 1.00 0.00 H new ATOM 0 HA THR C 71 70.577 0.009 2.057 1.00 0.00 H new ATOM 0 HB THR C 71 71.093 -1.424 0.028 1.00 0.00 H new ATOM 0 HG1 THR C 71 72.821 -2.961 0.283 1.00 0.00 H new ATOM 0 HG21 THR C 71 73.443 -0.685 -0.246 1.00 0.00 H new ATOM 0 HG22 THR C 71 72.453 0.595 0.496 1.00 0.00 H new ATOM 0 HG23 THR C 71 73.551 -0.377 1.503 1.00 0.00 H new ATOM 1075 N VAL C 72 68.649 -1.600 1.770 1.00 0.00 N ATOM 1076 CA VAL C 72 67.444 -2.462 1.933 1.00 0.00 C ATOM 1077 C VAL C 72 67.256 -3.353 0.701 1.00 0.00 C ATOM 1078 O VAL C 72 67.735 -3.051 -0.374 1.00 0.00 O ATOM 1079 CB VAL C 72 66.276 -1.485 2.074 1.00 0.00 C ATOM 1080 CG1 VAL C 72 64.957 -2.228 1.860 1.00 0.00 C ATOM 1081 CG2 VAL C 72 66.293 -0.875 3.477 1.00 0.00 C ATOM 0 H VAL C 72 68.513 -0.768 1.196 1.00 0.00 H new ATOM 0 HA VAL C 72 67.526 -3.127 2.793 1.00 0.00 H new ATOM 0 HB VAL C 72 66.372 -0.695 1.329 1.00 0.00 H new ATOM 0 HG11 VAL C 72 64.126 -1.530 1.961 1.00 0.00 H new ATOM 0 HG12 VAL C 72 64.944 -2.666 0.862 1.00 0.00 H new ATOM 0 HG13 VAL C 72 64.860 -3.018 2.604 1.00 0.00 H new ATOM 0 HG21 VAL C 72 65.461 -0.178 3.581 1.00 0.00 H new ATOM 0 HG22 VAL C 72 66.197 -1.667 4.219 1.00 0.00 H new ATOM 0 HG23 VAL C 72 67.233 -0.345 3.632 1.00 0.00 H new ATOM 1091 N ASP C 73 66.564 -4.449 0.851 1.00 0.00 N ATOM 1092 CA ASP C 73 66.347 -5.361 -0.309 1.00 0.00 C ATOM 1093 C ASP C 73 64.915 -5.900 -0.299 1.00 0.00 C ATOM 1094 O ASP C 73 64.135 -5.603 0.584 1.00 0.00 O ATOM 1095 CB ASP C 73 67.349 -6.499 -0.108 1.00 0.00 C ATOM 1096 CG ASP C 73 67.695 -7.122 -1.461 1.00 0.00 C ATOM 1097 OD1 ASP C 73 66.822 -7.169 -2.312 1.00 0.00 O ATOM 1098 OD2 ASP C 73 68.829 -7.543 -1.624 1.00 0.00 O ATOM 0 H ASP C 73 66.139 -4.753 1.727 1.00 0.00 H new ATOM 0 HA ASP C 73 66.488 -4.855 -1.264 1.00 0.00 H new ATOM 0 HB2 ASP C 73 68.252 -6.122 0.372 1.00 0.00 H new ATOM 0 HB3 ASP C 73 66.928 -7.255 0.555 1.00 0.00 H new ATOM 1103 N PHE C 74 64.563 -6.695 -1.274 1.00 0.00 N ATOM 1104 CA PHE C 74 63.182 -7.257 -1.316 1.00 0.00 C ATOM 1105 C PHE C 74 62.835 -7.880 0.038 1.00 0.00 C ATOM 1106 O PHE C 74 61.682 -8.053 0.377 1.00 0.00 O ATOM 1107 CB PHE C 74 63.226 -8.334 -2.401 1.00 0.00 C ATOM 1108 CG PHE C 74 62.353 -7.928 -3.565 1.00 0.00 C ATOM 1109 CD1 PHE C 74 61.139 -7.267 -3.336 1.00 0.00 C ATOM 1110 CD2 PHE C 74 62.758 -8.213 -4.874 1.00 0.00 C ATOM 1111 CE1 PHE C 74 60.331 -6.893 -4.416 1.00 0.00 C ATOM 1112 CE2 PHE C 74 61.949 -7.840 -5.954 1.00 0.00 C ATOM 1113 CZ PHE C 74 60.737 -7.179 -5.726 1.00 0.00 C ATOM 0 H PHE C 74 65.171 -6.979 -2.042 1.00 0.00 H new ATOM 0 HA PHE C 74 62.429 -6.497 -1.526 1.00 0.00 H new ATOM 0 HB2 PHE C 74 64.252 -8.481 -2.739 1.00 0.00 H new ATOM 0 HB3 PHE C 74 62.885 -9.286 -1.994 1.00 0.00 H new ATOM 0 HD1 PHE C 74 60.827 -7.046 -2.326 1.00 0.00 H new ATOM 0 HD2 PHE C 74 63.695 -8.721 -5.051 1.00 0.00 H new ATOM 0 HE1 PHE C 74 59.395 -6.384 -4.240 1.00 0.00 H new ATOM 0 HE2 PHE C 74 62.261 -8.063 -6.964 1.00 0.00 H new ATOM 0 HZ PHE C 74 60.115 -6.889 -6.560 1.00 0.00 H new ATOM 1123 N ASP C 75 63.830 -8.221 0.811 1.00 0.00 N ATOM 1124 CA ASP C 75 63.565 -8.838 2.142 1.00 0.00 C ATOM 1125 C ASP C 75 63.221 -7.759 3.172 1.00 0.00 C ATOM 1126 O ASP C 75 62.196 -7.812 3.823 1.00 0.00 O ATOM 1127 CB ASP C 75 64.869 -9.542 2.517 1.00 0.00 C ATOM 1128 CG ASP C 75 64.678 -10.309 3.826 1.00 0.00 C ATOM 1129 OD1 ASP C 75 64.502 -9.665 4.847 1.00 0.00 O ATOM 1130 OD2 ASP C 75 64.712 -11.529 3.786 1.00 0.00 O ATOM 0 H ASP C 75 64.816 -8.099 0.578 1.00 0.00 H new ATOM 0 HA ASP C 75 62.721 -9.527 2.115 1.00 0.00 H new ATOM 0 HB2 ASP C 75 65.166 -10.226 1.722 1.00 0.00 H new ATOM 0 HB3 ASP C 75 65.671 -8.811 2.625 1.00 0.00 H new ATOM 1135 N GLU C 76 64.071 -6.780 3.327 1.00 0.00 N ATOM 1136 CA GLU C 76 63.792 -5.700 4.318 1.00 0.00 C ATOM 1137 C GLU C 76 62.747 -4.729 3.762 1.00 0.00 C ATOM 1138 O GLU C 76 61.900 -4.235 4.481 1.00 0.00 O ATOM 1139 CB GLU C 76 65.131 -4.990 4.518 1.00 0.00 C ATOM 1140 CG GLU C 76 66.163 -5.984 5.054 1.00 0.00 C ATOM 1141 CD GLU C 76 67.572 -5.455 4.781 1.00 0.00 C ATOM 1142 OE1 GLU C 76 67.783 -4.268 4.966 1.00 0.00 O ATOM 1143 OE2 GLU C 76 68.416 -6.246 4.394 1.00 0.00 O ATOM 0 H GLU C 76 64.945 -6.681 2.811 1.00 0.00 H new ATOM 0 HA GLU C 76 63.395 -6.092 5.254 1.00 0.00 H new ATOM 0 HB2 GLU C 76 65.475 -4.567 3.574 1.00 0.00 H new ATOM 0 HB3 GLU C 76 65.014 -4.160 5.215 1.00 0.00 H new ATOM 0 HG2 GLU C 76 66.020 -6.131 6.124 1.00 0.00 H new ATOM 0 HG3 GLU C 76 66.029 -6.955 4.578 1.00 0.00 H new ATOM 1150 N PHE C 77 62.801 -4.449 2.489 1.00 0.00 N ATOM 1151 CA PHE C 77 61.812 -3.508 1.887 1.00 0.00 C ATOM 1152 C PHE C 77 60.386 -4.033 2.089 1.00 0.00 C ATOM 1153 O PHE C 77 59.511 -3.321 2.543 1.00 0.00 O ATOM 1154 CB PHE C 77 62.168 -3.463 0.399 1.00 0.00 C ATOM 1155 CG PHE C 77 61.009 -2.893 -0.386 1.00 0.00 C ATOM 1156 CD1 PHE C 77 60.714 -1.527 -0.308 1.00 0.00 C ATOM 1157 CD2 PHE C 77 60.233 -3.732 -1.194 1.00 0.00 C ATOM 1158 CE1 PHE C 77 59.642 -0.999 -1.037 1.00 0.00 C ATOM 1159 CE2 PHE C 77 59.161 -3.204 -1.924 1.00 0.00 C ATOM 1160 CZ PHE C 77 58.866 -1.838 -1.847 1.00 0.00 C ATOM 0 H PHE C 77 63.487 -4.831 1.838 1.00 0.00 H new ATOM 0 HA PHE C 77 61.848 -2.519 2.345 1.00 0.00 H new ATOM 0 HB2 PHE C 77 63.058 -2.852 0.247 1.00 0.00 H new ATOM 0 HB3 PHE C 77 62.404 -4.465 0.041 1.00 0.00 H new ATOM 0 HD1 PHE C 77 61.314 -0.880 0.315 1.00 0.00 H new ATOM 0 HD2 PHE C 77 60.461 -4.786 -1.254 1.00 0.00 H new ATOM 0 HE1 PHE C 77 59.413 0.055 -0.975 1.00 0.00 H new ATOM 0 HE2 PHE C 77 58.561 -3.851 -2.547 1.00 0.00 H new ATOM 0 HZ PHE C 77 58.040 -1.431 -2.412 1.00 0.00 H new ATOM 1170 N LEU C 78 60.145 -5.270 1.755 1.00 0.00 N ATOM 1171 CA LEU C 78 58.773 -5.834 1.925 1.00 0.00 C ATOM 1172 C LEU C 78 58.257 -5.560 3.340 1.00 0.00 C ATOM 1173 O LEU C 78 57.203 -4.985 3.525 1.00 0.00 O ATOM 1174 CB LEU C 78 58.931 -7.337 1.692 1.00 0.00 C ATOM 1175 CG LEU C 78 58.396 -7.696 0.305 1.00 0.00 C ATOM 1176 CD1 LEU C 78 58.691 -9.166 0.008 1.00 0.00 C ATOM 1177 CD2 LEU C 78 56.883 -7.463 0.268 1.00 0.00 C ATOM 0 H LEU C 78 60.836 -5.915 1.372 1.00 0.00 H new ATOM 0 HA LEU C 78 58.056 -5.388 1.236 1.00 0.00 H new ATOM 0 HB2 LEU C 78 59.980 -7.620 1.773 1.00 0.00 H new ATOM 0 HB3 LEU C 78 58.390 -7.894 2.458 1.00 0.00 H new ATOM 0 HG LEU C 78 58.881 -7.070 -0.444 1.00 0.00 H new ATOM 0 HD11 LEU C 78 58.309 -9.421 -0.981 1.00 0.00 H new ATOM 0 HD12 LEU C 78 59.768 -9.334 0.036 1.00 0.00 H new ATOM 0 HD13 LEU C 78 58.207 -9.793 0.757 1.00 0.00 H new ATOM 0 HD21 LEU C 78 56.500 -7.718 -0.720 1.00 0.00 H new ATOM 0 HD22 LEU C 78 56.400 -8.090 1.018 1.00 0.00 H new ATOM 0 HD23 LEU C 78 56.671 -6.415 0.480 1.00 0.00 H new ATOM 1189 N VAL C 79 58.987 -5.971 4.339 1.00 0.00 N ATOM 1190 CA VAL C 79 58.535 -5.734 5.740 1.00 0.00 C ATOM 1191 C VAL C 79 58.193 -4.256 5.946 1.00 0.00 C ATOM 1192 O VAL C 79 57.231 -3.917 6.605 1.00 0.00 O ATOM 1193 CB VAL C 79 59.724 -6.134 6.611 1.00 0.00 C ATOM 1194 CG1 VAL C 79 59.304 -6.126 8.082 1.00 0.00 C ATOM 1195 CG2 VAL C 79 60.189 -7.540 6.224 1.00 0.00 C ATOM 0 H VAL C 79 59.877 -6.461 4.247 1.00 0.00 H new ATOM 0 HA VAL C 79 57.638 -6.303 5.985 1.00 0.00 H new ATOM 0 HB VAL C 79 60.539 -5.426 6.461 1.00 0.00 H new ATOM 0 HG11 VAL C 79 60.152 -6.411 8.704 1.00 0.00 H new ATOM 0 HG12 VAL C 79 58.970 -5.126 8.360 1.00 0.00 H new ATOM 0 HG13 VAL C 79 58.490 -6.835 8.232 1.00 0.00 H new ATOM 0 HG21 VAL C 79 61.038 -7.826 6.845 1.00 0.00 H new ATOM 0 HG22 VAL C 79 59.374 -8.247 6.375 1.00 0.00 H new ATOM 0 HG23 VAL C 79 60.487 -7.549 5.176 1.00 0.00 H new ATOM 1205 N MET C 80 58.977 -3.372 5.387 1.00 0.00 N ATOM 1206 CA MET C 80 58.698 -1.917 5.554 1.00 0.00 C ATOM 1207 C MET C 80 57.251 -1.603 5.164 1.00 0.00 C ATOM 1208 O MET C 80 56.684 -0.616 5.589 1.00 0.00 O ATOM 1209 CB MET C 80 59.671 -1.216 4.605 1.00 0.00 C ATOM 1210 CG MET C 80 60.610 -0.315 5.408 1.00 0.00 C ATOM 1211 SD MET C 80 60.393 1.403 4.881 1.00 0.00 S ATOM 1212 CE MET C 80 60.857 1.171 3.147 1.00 0.00 C ATOM 0 H MET C 80 59.797 -3.595 4.823 1.00 0.00 H new ATOM 0 HA MET C 80 58.825 -1.590 6.586 1.00 0.00 H new ATOM 0 HB2 MET C 80 60.247 -1.955 4.048 1.00 0.00 H new ATOM 0 HB3 MET C 80 59.120 -0.625 3.874 1.00 0.00 H new ATOM 0 HG2 MET C 80 60.399 -0.409 6.473 1.00 0.00 H new ATOM 0 HG3 MET C 80 61.644 -0.625 5.259 1.00 0.00 H new ATOM 0 HE1 MET C 80 61.414 2.041 2.800 1.00 0.00 H new ATOM 0 HE2 MET C 80 61.478 0.281 3.053 1.00 0.00 H new ATOM 0 HE3 MET C 80 59.958 1.052 2.543 1.00 0.00 H new ATOM 1222 N MET C 81 56.648 -2.434 4.357 1.00 0.00 N ATOM 1223 CA MET C 81 55.239 -2.177 3.941 1.00 0.00 C ATOM 1224 C MET C 81 54.264 -2.792 4.950 1.00 0.00 C ATOM 1225 O MET C 81 53.258 -2.204 5.292 1.00 0.00 O ATOM 1226 CB MET C 81 55.097 -2.854 2.578 1.00 0.00 C ATOM 1227 CG MET C 81 55.755 -1.985 1.504 1.00 0.00 C ATOM 1228 SD MET C 81 54.919 -0.380 1.427 1.00 0.00 S ATOM 1229 CE MET C 81 55.903 0.325 0.082 1.00 0.00 C ATOM 0 H MET C 81 57.069 -3.278 3.969 1.00 0.00 H new ATOM 0 HA MET C 81 55.013 -1.112 3.893 1.00 0.00 H new ATOM 0 HB2 MET C 81 55.563 -3.839 2.599 1.00 0.00 H new ATOM 0 HB3 MET C 81 54.043 -3.005 2.343 1.00 0.00 H new ATOM 0 HG2 MET C 81 56.812 -1.846 1.731 1.00 0.00 H new ATOM 0 HG3 MET C 81 55.700 -2.482 0.535 1.00 0.00 H new ATOM 0 HE1 MET C 81 55.552 1.334 -0.136 1.00 0.00 H new ATOM 0 HE2 MET C 81 56.951 0.362 0.379 1.00 0.00 H new ATOM 0 HE3 MET C 81 55.799 -0.295 -0.808 1.00 0.00 H new ATOM 1239 N VAL C 82 54.553 -3.971 5.428 1.00 0.00 N ATOM 1240 CA VAL C 82 53.638 -4.619 6.414 1.00 0.00 C ATOM 1241 C VAL C 82 53.564 -3.780 7.692 1.00 0.00 C ATOM 1242 O VAL C 82 52.515 -3.621 8.282 1.00 0.00 O ATOM 1243 CB VAL C 82 54.260 -5.985 6.706 1.00 0.00 C ATOM 1244 CG1 VAL C 82 53.228 -6.875 7.401 1.00 0.00 C ATOM 1245 CG2 VAL C 82 54.695 -6.641 5.394 1.00 0.00 C ATOM 0 H VAL C 82 55.380 -4.514 5.180 1.00 0.00 H new ATOM 0 HA VAL C 82 52.622 -4.712 6.031 1.00 0.00 H new ATOM 0 HB VAL C 82 55.128 -5.857 7.353 1.00 0.00 H new ATOM 0 HG11 VAL C 82 53.670 -7.849 7.610 1.00 0.00 H new ATOM 0 HG12 VAL C 82 52.917 -6.409 8.336 1.00 0.00 H new ATOM 0 HG13 VAL C 82 52.361 -7.001 6.753 1.00 0.00 H new ATOM 0 HG21 VAL C 82 55.138 -7.615 5.603 1.00 0.00 H new ATOM 0 HG22 VAL C 82 53.828 -6.769 4.746 1.00 0.00 H new ATOM 0 HG23 VAL C 82 55.429 -6.008 4.896 1.00 0.00 H new ATOM 1255 N ARG C 83 54.672 -3.240 8.122 1.00 0.00 N ATOM 1256 CA ARG C 83 54.667 -2.411 9.360 1.00 0.00 C ATOM 1257 C ARG C 83 53.739 -1.206 9.186 1.00 0.00 C ATOM 1258 O ARG C 83 53.162 -0.711 10.135 1.00 0.00 O ATOM 1259 CB ARG C 83 56.114 -1.952 9.534 1.00 0.00 C ATOM 1260 CG ARG C 83 56.916 -3.049 10.241 1.00 0.00 C ATOM 1261 CD ARG C 83 58.123 -2.427 10.945 1.00 0.00 C ATOM 1262 NE ARG C 83 57.942 -2.763 12.386 1.00 0.00 N ATOM 1263 CZ ARG C 83 58.910 -3.329 13.051 1.00 0.00 C ATOM 1264 NH1 ARG C 83 59.957 -2.631 13.402 1.00 0.00 N ATOM 1265 NH2 ARG C 83 58.833 -4.592 13.370 1.00 0.00 N ATOM 0 H ARG C 83 55.581 -3.337 7.669 1.00 0.00 H new ATOM 0 HA ARG C 83 54.308 -2.965 10.227 1.00 0.00 H new ATOM 0 HB2 ARG C 83 56.556 -1.732 8.562 1.00 0.00 H new ATOM 0 HB3 ARG C 83 56.147 -1.030 10.115 1.00 0.00 H new ATOM 0 HG2 ARG C 83 56.286 -3.565 10.965 1.00 0.00 H new ATOM 0 HG3 ARG C 83 57.248 -3.795 9.518 1.00 0.00 H new ATOM 0 HD2 ARG C 83 59.058 -2.833 10.559 1.00 0.00 H new ATOM 0 HD3 ARG C 83 58.157 -1.348 10.792 1.00 0.00 H new ATOM 0 HE ARG C 83 57.060 -2.550 12.852 1.00 0.00 H new ATOM 0 HH11 ARG C 83 60.017 -1.643 13.156 1.00 0.00 H new ATOM 0 HH12 ARG C 83 60.714 -3.074 13.922 1.00 0.00 H new ATOM 0 HH21 ARG C 83 58.015 -5.137 13.099 1.00 0.00 H new ATOM 0 HH22 ARG C 83 59.591 -5.034 13.890 1.00 0.00 H new ATOM 1279 N CYS C 84 53.589 -0.731 7.980 1.00 0.00 N ATOM 1280 CA CYS C 84 52.696 0.440 7.747 1.00 0.00 C ATOM 1281 C CYS C 84 51.421 -0.004 7.026 1.00 0.00 C ATOM 1282 O CYS C 84 50.811 0.755 6.299 1.00 0.00 O ATOM 1283 CB CYS C 84 53.509 1.389 6.866 1.00 0.00 C ATOM 1284 SG CYS C 84 55.067 1.797 7.692 1.00 0.00 S ATOM 0 H CYS C 84 54.045 -1.102 7.147 1.00 0.00 H new ATOM 0 HA CYS C 84 52.385 0.915 8.678 1.00 0.00 H new ATOM 0 HB2 CYS C 84 53.708 0.924 5.900 1.00 0.00 H new ATOM 0 HB3 CYS C 84 52.940 2.298 6.671 1.00 0.00 H new ATOM 0 HG CYS C 84 55.758 2.602 6.941 1.00 0.00 H new ATOM 1290 N MET C 85 51.012 -1.229 7.223 1.00 0.00 N ATOM 1291 CA MET C 85 49.775 -1.719 6.548 1.00 0.00 C ATOM 1292 C MET C 85 48.666 -0.670 6.655 1.00 0.00 C ATOM 1293 O MET C 85 48.450 0.114 5.753 1.00 0.00 O ATOM 1294 CB MET C 85 49.387 -2.989 7.307 1.00 0.00 C ATOM 1295 CG MET C 85 49.839 -4.217 6.516 1.00 0.00 C ATOM 1296 SD MET C 85 48.611 -4.599 5.243 1.00 0.00 S ATOM 1297 CE MET C 85 49.560 -3.995 3.824 1.00 0.00 C ATOM 0 H MET C 85 51.480 -1.910 7.821 1.00 0.00 H new ATOM 0 HA MET C 85 49.931 -1.910 5.486 1.00 0.00 H new ATOM 0 HB2 MET C 85 49.848 -2.990 8.295 1.00 0.00 H new ATOM 0 HB3 MET C 85 48.308 -3.019 7.459 1.00 0.00 H new ATOM 0 HG2 MET C 85 50.809 -4.030 6.056 1.00 0.00 H new ATOM 0 HG3 MET C 85 49.962 -5.069 7.185 1.00 0.00 H new ATOM 0 HE1 MET C 85 49.371 -4.634 2.961 1.00 0.00 H new ATOM 0 HE2 MET C 85 49.258 -2.974 3.593 1.00 0.00 H new ATOM 0 HE3 MET C 85 50.623 -4.014 4.063 1.00 0.00 H new ATOM 1411 N SER I 3 52.989 7.294 2.976 1.00 0.00 N ATOM 1412 CA SER I 3 51.861 7.903 2.215 1.00 0.00 C ATOM 1413 C SER I 3 51.327 6.908 1.181 1.00 0.00 C ATOM 1414 O SER I 3 51.488 7.086 -0.010 1.00 0.00 O ATOM 1415 CB SER I 3 52.463 9.125 1.524 1.00 0.00 C ATOM 1416 OG SER I 3 51.633 10.254 1.761 1.00 0.00 O ATOM 0 HA SER I 3 51.024 8.173 2.859 1.00 0.00 H new ATOM 0 HB2 SER I 3 53.468 9.312 1.902 1.00 0.00 H new ATOM 0 HB3 SER I 3 52.553 8.944 0.453 1.00 0.00 H new ATOM 0 HG SER I 3 52.064 11.058 1.403 1.00 0.00 H new ATOM 1422 N ALA I 4 50.694 5.859 1.630 1.00 0.00 N ATOM 1423 CA ALA I 4 50.151 4.848 0.677 1.00 0.00 C ATOM 1424 C ALA I 4 49.299 5.528 -0.399 1.00 0.00 C ATOM 1425 O ALA I 4 49.259 5.098 -1.534 1.00 0.00 O ATOM 1426 CB ALA I 4 49.288 3.923 1.537 1.00 0.00 C ATOM 0 H ALA I 4 50.529 5.658 2.616 1.00 0.00 H new ATOM 0 HA ALA I 4 50.941 4.308 0.156 1.00 0.00 H new ATOM 0 HB1 ALA I 4 48.849 3.147 0.910 1.00 0.00 H new ATOM 0 HB2 ALA I 4 49.906 3.461 2.307 1.00 0.00 H new ATOM 0 HB3 ALA I 4 48.493 4.501 2.008 1.00 0.00 H new ATOM 1432 N ASP I 5 48.614 6.583 -0.050 1.00 0.00 N ATOM 1433 CA ASP I 5 47.762 7.284 -1.054 1.00 0.00 C ATOM 1434 C ASP I 5 48.618 8.176 -1.958 1.00 0.00 C ATOM 1435 O ASP I 5 48.410 8.246 -3.153 1.00 0.00 O ATOM 1436 CB ASP I 5 46.795 8.132 -0.226 1.00 0.00 C ATOM 1437 CG ASP I 5 47.589 9.033 0.721 1.00 0.00 C ATOM 1438 OD1 ASP I 5 48.333 8.501 1.529 1.00 0.00 O ATOM 1439 OD2 ASP I 5 47.437 10.240 0.626 1.00 0.00 O ATOM 0 H ASP I 5 48.607 6.990 0.885 1.00 0.00 H new ATOM 0 HA ASP I 5 47.240 6.585 -1.708 1.00 0.00 H new ATOM 0 HB2 ASP I 5 46.171 8.738 -0.883 1.00 0.00 H new ATOM 0 HB3 ASP I 5 46.126 7.487 0.344 1.00 0.00 H new ATOM 1444 N ALA I 6 49.576 8.859 -1.397 1.00 0.00 N ATOM 1445 CA ALA I 6 50.440 9.749 -2.226 1.00 0.00 C ATOM 1446 C ALA I 6 51.571 8.945 -2.875 1.00 0.00 C ATOM 1447 O ALA I 6 52.339 9.462 -3.661 1.00 0.00 O ATOM 1448 CB ALA I 6 51.006 10.776 -1.245 1.00 0.00 C ATOM 0 H ALA I 6 49.799 8.841 -0.402 1.00 0.00 H new ATOM 0 HA ALA I 6 49.885 10.220 -3.037 1.00 0.00 H new ATOM 0 HB1 ALA I 6 51.655 11.470 -1.779 1.00 0.00 H new ATOM 0 HB2 ALA I 6 50.187 11.327 -0.783 1.00 0.00 H new ATOM 0 HB3 ALA I 6 51.580 10.264 -0.473 1.00 0.00 H new ATOM 1454 N MET I 7 51.682 7.686 -2.551 1.00 0.00 N ATOM 1455 CA MET I 7 52.767 6.856 -3.152 1.00 0.00 C ATOM 1456 C MET I 7 52.452 6.551 -4.619 1.00 0.00 C ATOM 1457 O MET I 7 53.252 6.799 -5.500 1.00 0.00 O ATOM 1458 CB MET I 7 52.786 5.569 -2.328 1.00 0.00 C ATOM 1459 CG MET I 7 54.229 5.225 -1.953 1.00 0.00 C ATOM 1460 SD MET I 7 54.689 3.644 -2.706 1.00 0.00 S ATOM 1461 CE MET I 7 55.999 4.274 -3.784 1.00 0.00 C ATOM 0 H MET I 7 51.071 7.196 -1.898 1.00 0.00 H new ATOM 0 HA MET I 7 53.731 7.364 -3.135 1.00 0.00 H new ATOM 0 HB2 MET I 7 52.184 5.692 -1.427 1.00 0.00 H new ATOM 0 HB3 MET I 7 52.343 4.753 -2.898 1.00 0.00 H new ATOM 0 HG2 MET I 7 54.902 6.012 -2.294 1.00 0.00 H new ATOM 0 HG3 MET I 7 54.330 5.167 -0.869 1.00 0.00 H new ATOM 0 HE1 MET I 7 56.196 3.552 -4.577 1.00 0.00 H new ATOM 0 HE2 MET I 7 55.684 5.220 -4.225 1.00 0.00 H new ATOM 0 HE3 MET I 7 56.907 4.430 -3.201 1.00 0.00 H new ATOM 1471 N MET I 8 51.295 6.009 -4.889 1.00 0.00 N ATOM 1472 CA MET I 8 50.935 5.685 -6.300 1.00 0.00 C ATOM 1473 C MET I 8 50.516 6.955 -7.047 1.00 0.00 C ATOM 1474 O MET I 8 50.691 7.068 -8.244 1.00 0.00 O ATOM 1475 CB MET I 8 49.760 4.711 -6.196 1.00 0.00 C ATOM 1476 CG MET I 8 50.288 3.278 -6.130 1.00 0.00 C ATOM 1477 SD MET I 8 50.994 2.972 -4.493 1.00 0.00 S ATOM 1478 CE MET I 8 52.724 3.259 -4.938 1.00 0.00 C ATOM 0 H MET I 8 50.584 5.777 -4.195 1.00 0.00 H new ATOM 0 HA MET I 8 51.772 5.256 -6.851 1.00 0.00 H new ATOM 0 HB2 MET I 8 49.168 4.933 -5.308 1.00 0.00 H new ATOM 0 HB3 MET I 8 49.101 4.827 -7.056 1.00 0.00 H new ATOM 0 HG2 MET I 8 49.481 2.572 -6.328 1.00 0.00 H new ATOM 0 HG3 MET I 8 51.044 3.122 -6.899 1.00 0.00 H new ATOM 0 HE1 MET I 8 53.331 2.420 -4.598 1.00 0.00 H new ATOM 0 HE2 MET I 8 52.810 3.354 -6.020 1.00 0.00 H new ATOM 0 HE3 MET I 8 53.074 4.176 -4.464 1.00 0.00 H new ATOM 1488 N GLN I 9 49.961 7.910 -6.352 1.00 0.00 N ATOM 1489 CA GLN I 9 49.528 9.168 -7.024 1.00 0.00 C ATOM 1490 C GLN I 9 50.744 9.943 -7.543 1.00 0.00 C ATOM 1491 O GLN I 9 50.675 10.624 -8.546 1.00 0.00 O ATOM 1492 CB GLN I 9 48.807 9.969 -5.939 1.00 0.00 C ATOM 1493 CG GLN I 9 47.455 10.449 -6.470 1.00 0.00 C ATOM 1494 CD GLN I 9 46.357 10.095 -5.465 1.00 0.00 C ATOM 1495 OE1 GLN I 9 45.846 10.958 -4.778 1.00 0.00 O ATOM 1496 NE2 GLN I 9 45.968 8.854 -5.349 1.00 0.00 N ATOM 0 H GLN I 9 49.789 7.873 -5.347 1.00 0.00 H new ATOM 0 HA GLN I 9 48.887 8.974 -7.884 1.00 0.00 H new ATOM 0 HB2 GLN I 9 48.663 9.352 -5.052 1.00 0.00 H new ATOM 0 HB3 GLN I 9 49.415 10.822 -5.638 1.00 0.00 H new ATOM 0 HG2 GLN I 9 47.479 11.526 -6.634 1.00 0.00 H new ATOM 0 HG3 GLN I 9 47.245 9.984 -7.433 1.00 0.00 H new ATOM 0 HE21 GLN I 9 46.396 8.129 -5.925 1.00 0.00 H new ATOM 0 HE22 GLN I 9 45.236 8.609 -4.682 1.00 0.00 H new ATOM 1505 N ALA I 10 51.857 9.846 -6.866 1.00 0.00 N ATOM 1506 CA ALA I 10 53.072 10.582 -7.322 1.00 0.00 C ATOM 1507 C ALA I 10 53.828 9.762 -8.373 1.00 0.00 C ATOM 1508 O ALA I 10 54.087 10.226 -9.465 1.00 0.00 O ATOM 1509 CB ALA I 10 53.923 10.760 -6.065 1.00 0.00 C ATOM 0 H ALA I 10 51.977 9.290 -6.019 1.00 0.00 H new ATOM 0 HA ALA I 10 52.825 11.537 -7.785 1.00 0.00 H new ATOM 0 HB1 ALA I 10 54.838 11.295 -6.318 1.00 0.00 H new ATOM 0 HB2 ALA I 10 53.363 11.330 -5.324 1.00 0.00 H new ATOM 0 HB3 ALA I 10 54.176 9.782 -5.655 1.00 0.00 H new ATOM 1515 N LEU I 11 54.183 8.548 -8.052 1.00 0.00 N ATOM 1516 CA LEU I 11 54.921 7.703 -9.037 1.00 0.00 C ATOM 1517 C LEU I 11 54.199 6.369 -9.232 1.00 0.00 C ATOM 1518 O LEU I 11 53.055 6.210 -8.856 1.00 0.00 O ATOM 1519 CB LEU I 11 56.311 7.480 -8.428 1.00 0.00 C ATOM 1520 CG LEU I 11 56.193 7.256 -6.918 1.00 0.00 C ATOM 1521 CD1 LEU I 11 57.419 6.490 -6.416 1.00 0.00 C ATOM 1522 CD2 LEU I 11 56.118 8.610 -6.211 1.00 0.00 C ATOM 0 H LEU I 11 53.995 8.104 -7.153 1.00 0.00 H new ATOM 0 HA LEU I 11 54.984 8.179 -10.016 1.00 0.00 H new ATOM 0 HB2 LEU I 11 56.788 6.618 -8.895 1.00 0.00 H new ATOM 0 HB3 LEU I 11 56.947 8.343 -8.627 1.00 0.00 H new ATOM 0 HG LEU I 11 55.293 6.679 -6.705 1.00 0.00 H new ATOM 0 HD11 LEU I 11 57.334 6.331 -5.341 1.00 0.00 H new ATOM 0 HD12 LEU I 11 57.478 5.526 -6.922 1.00 0.00 H new ATOM 0 HD13 LEU I 11 58.320 7.066 -6.627 1.00 0.00 H new ATOM 0 HD21 LEU I 11 56.034 8.455 -5.135 1.00 0.00 H new ATOM 0 HD22 LEU I 11 57.020 9.183 -6.425 1.00 0.00 H new ATOM 0 HD23 LEU I 11 55.246 9.159 -6.568 1.00 0.00 H new ATOM 1534 N LEU I 12 54.857 5.408 -9.823 1.00 0.00 N ATOM 1535 CA LEU I 12 54.203 4.087 -10.045 1.00 0.00 C ATOM 1536 C LEU I 12 52.879 4.276 -10.789 1.00 0.00 C ATOM 1537 O LEU I 12 51.945 3.516 -10.621 1.00 0.00 O ATOM 1538 CB LEU I 12 53.961 3.525 -8.644 1.00 0.00 C ATOM 1539 CG LEU I 12 55.295 3.105 -8.026 1.00 0.00 C ATOM 1540 CD1 LEU I 12 55.905 4.290 -7.275 1.00 0.00 C ATOM 1541 CD2 LEU I 12 55.065 1.950 -7.051 1.00 0.00 C ATOM 0 H LEU I 12 55.817 5.481 -10.161 1.00 0.00 H new ATOM 0 HA LEU I 12 54.814 3.417 -10.650 1.00 0.00 H new ATOM 0 HB2 LEU I 12 53.478 4.275 -8.018 1.00 0.00 H new ATOM 0 HB3 LEU I 12 53.286 2.670 -8.695 1.00 0.00 H new ATOM 0 HG LEU I 12 55.975 2.785 -8.815 1.00 0.00 H new ATOM 0 HD11 LEU I 12 56.856 3.991 -6.834 1.00 0.00 H new ATOM 0 HD12 LEU I 12 56.070 5.114 -7.969 1.00 0.00 H new ATOM 0 HD13 LEU I 12 55.224 4.610 -6.486 1.00 0.00 H new ATOM 0 HD21 LEU I 12 56.016 1.651 -6.611 1.00 0.00 H new ATOM 0 HD22 LEU I 12 54.384 2.270 -6.262 1.00 0.00 H new ATOM 0 HD23 LEU I 12 54.630 1.105 -7.584 1.00 0.00 H new