USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=17 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 -92:sc= 0.152 USER MOD Set 1.2: C 71 THR OG1 : rot 180:sc= 0.0043 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= -1.63 K(o=-1.6,f=-11!) USER MOD Single : C 13 THR OG1 : rot 180:sc= -0.535 USER MOD Single : C 16 GLN : amide:sc= -0.0739 X(o=-0.074,f=0) USER MOD Single : C 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 18 ASN : amide:sc= -0.783 K(o=-0.78,f=-1.7!) USER MOD Single : C 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 35 CYS SG : rot 180:sc= 0 USER MOD Single : C 37 SER OG : rot 180:sc= -0.0102 USER MOD Single : C 38 THR OG1 : rot -79:sc= -0.0014 USER MOD Single : C 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 45 MET CE :methyl -149:sc= -9.98! (180deg=-11.6!) USER MOD Single : C 47 MET CE :methyl 179:sc= -11.1! (180deg=-11.2!) USER MOD Single : C 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 51 ASN : amide:sc= -2.23! C(o=-2.2!,f=-4.6!) USER MOD Single : C 53 THR OG1 : rot -160:sc= -0.0602 USER MOD Single : C 58 GLN : amide:sc= -0.82 X(o=-0.82,f=-1) USER MOD Single : C 60 MET CE :methyl -148:sc= -0.611 (180deg=-2.64!) USER MOD Single : C 80 MET CE :methyl 164:sc= -0.0177 (180deg=-0.535) USER MOD Single : C 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 84 CYS SG : rot -0:sc= 1.17 USER MOD Single : C 85 MET CE :methyl -150:sc= -0.757 (180deg=-3.03!) USER MOD Single : I 3 SER OG : rot -38:sc= 0.0308 USER MOD Single : I 7 MET CE :methyl 156:sc= -6.93! (180deg=-7.82!) USER MOD Single : I 8 MET CE :methyl 140:sc= -14! (180deg=-21.8!) USER MOD Single : I 9 GLN : amide:sc= 0 X(o=0,f=-0.081) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE C 4 57.758 -11.378 13.805 1.00 0.00 N ATOM 45 CA ILE C 4 56.277 -11.324 13.642 1.00 0.00 C ATOM 46 C ILE C 4 55.912 -10.738 12.274 1.00 0.00 C ATOM 47 O ILE C 4 54.907 -11.088 11.688 1.00 0.00 O ATOM 48 CB ILE C 4 55.791 -10.411 14.769 1.00 0.00 C ATOM 49 CG1 ILE C 4 55.899 -11.153 16.104 1.00 0.00 C ATOM 50 CG2 ILE C 4 54.334 -10.022 14.519 1.00 0.00 C ATOM 51 CD1 ILE C 4 56.435 -10.204 17.176 1.00 0.00 C ATOM 0 HA ILE C 4 55.819 -12.312 13.691 1.00 0.00 H new ATOM 0 HB ILE C 4 56.406 -9.511 14.800 1.00 0.00 H new ATOM 0 HG12 ILE C 4 54.922 -11.536 16.399 1.00 0.00 H new ATOM 0 HG13 ILE C 4 56.561 -12.013 16.001 1.00 0.00 H new ATOM 0 HG21 ILE C 4 53.988 -9.371 15.322 1.00 0.00 H new ATOM 0 HG22 ILE C 4 54.256 -9.496 13.567 1.00 0.00 H new ATOM 0 HG23 ILE C 4 53.718 -10.920 14.489 1.00 0.00 H new ATOM 0 HD11 ILE C 4 56.511 -10.734 18.126 1.00 0.00 H new ATOM 0 HD12 ILE C 4 57.420 -9.842 16.882 1.00 0.00 H new ATOM 0 HD13 ILE C 4 55.756 -9.358 17.286 1.00 0.00 H new ATOM 63 N TYR C 5 56.721 -9.852 11.760 1.00 0.00 N ATOM 64 CA TYR C 5 56.418 -9.248 10.429 1.00 0.00 C ATOM 65 C TYR C 5 56.669 -10.268 9.314 1.00 0.00 C ATOM 66 O TYR C 5 55.856 -10.445 8.428 1.00 0.00 O ATOM 67 CB TYR C 5 57.383 -8.071 10.298 1.00 0.00 C ATOM 68 CG TYR C 5 56.958 -6.962 11.232 1.00 0.00 C ATOM 69 CD1 TYR C 5 57.433 -6.936 12.548 1.00 0.00 C ATOM 70 CD2 TYR C 5 56.091 -5.960 10.780 1.00 0.00 C ATOM 71 CE1 TYR C 5 57.042 -5.908 13.414 1.00 0.00 C ATOM 72 CE2 TYR C 5 55.699 -4.932 11.645 1.00 0.00 C ATOM 73 CZ TYR C 5 56.174 -4.906 12.962 1.00 0.00 C ATOM 74 OH TYR C 5 55.788 -3.892 13.815 1.00 0.00 O ATOM 0 H TYR C 5 57.578 -9.520 12.203 1.00 0.00 H new ATOM 0 HA TYR C 5 55.377 -8.935 10.348 1.00 0.00 H new ATOM 0 HB2 TYR C 5 58.398 -8.391 10.535 1.00 0.00 H new ATOM 0 HB3 TYR C 5 57.395 -7.710 9.270 1.00 0.00 H new ATOM 0 HD1 TYR C 5 58.102 -7.710 12.896 1.00 0.00 H new ATOM 0 HD2 TYR C 5 55.725 -5.980 9.764 1.00 0.00 H new ATOM 0 HE1 TYR C 5 57.409 -5.888 14.429 1.00 0.00 H new ATOM 0 HE2 TYR C 5 55.030 -4.159 11.297 1.00 0.00 H new ATOM 0 HH TYR C 5 55.186 -3.279 13.344 1.00 0.00 H new ATOM 84 N LYS C 6 57.790 -10.935 9.350 1.00 0.00 N ATOM 85 CA LYS C 6 58.096 -11.940 8.292 1.00 0.00 C ATOM 86 C LYS C 6 56.852 -12.773 7.974 1.00 0.00 C ATOM 87 O LYS C 6 56.704 -13.294 6.885 1.00 0.00 O ATOM 88 CB LYS C 6 59.193 -12.824 8.885 1.00 0.00 C ATOM 89 CG LYS C 6 60.459 -12.708 8.034 1.00 0.00 C ATOM 90 CD LYS C 6 60.957 -14.106 7.662 1.00 0.00 C ATOM 91 CE LYS C 6 60.813 -14.314 6.152 1.00 0.00 C ATOM 92 NZ LYS C 6 62.083 -14.967 5.728 1.00 0.00 N ATOM 0 H LYS C 6 58.508 -10.828 10.067 1.00 0.00 H new ATOM 0 HA LYS C 6 58.411 -11.470 7.360 1.00 0.00 H new ATOM 0 HB2 LYS C 6 59.403 -12.522 9.911 1.00 0.00 H new ATOM 0 HB3 LYS C 6 58.860 -13.861 8.920 1.00 0.00 H new ATOM 0 HG2 LYS C 6 60.251 -12.133 7.132 1.00 0.00 H new ATOM 0 HG3 LYS C 6 61.231 -12.170 8.584 1.00 0.00 H new ATOM 0 HD2 LYS C 6 61.999 -14.223 7.958 1.00 0.00 H new ATOM 0 HD3 LYS C 6 60.386 -14.862 8.200 1.00 0.00 H new ATOM 0 HE2 LYS C 6 59.951 -14.940 5.921 1.00 0.00 H new ATOM 0 HE3 LYS C 6 60.666 -13.365 5.636 1.00 0.00 H new ATOM 0 HZ1 LYS C 6 62.058 -15.141 4.703 1.00 0.00 H new ATOM 0 HZ2 LYS C 6 62.885 -14.345 5.954 1.00 0.00 H new ATOM 0 HZ3 LYS C 6 62.193 -15.871 6.230 1.00 0.00 H new ATOM 106 N ALA C 7 55.955 -12.906 8.912 1.00 0.00 N ATOM 107 CA ALA C 7 54.724 -13.706 8.656 1.00 0.00 C ATOM 108 C ALA C 7 53.865 -13.020 7.591 1.00 0.00 C ATOM 109 O ALA C 7 53.640 -13.554 6.523 1.00 0.00 O ATOM 110 CB ALA C 7 53.989 -13.744 9.995 1.00 0.00 C ATOM 0 H ALA C 7 56.021 -12.496 9.844 1.00 0.00 H new ATOM 0 HA ALA C 7 54.949 -14.707 8.289 1.00 0.00 H new ATOM 0 HB1 ALA C 7 53.068 -14.317 9.888 1.00 0.00 H new ATOM 0 HB2 ALA C 7 54.624 -14.214 10.746 1.00 0.00 H new ATOM 0 HB3 ALA C 7 53.749 -12.728 10.308 1.00 0.00 H new ATOM 116 N ALA C 8 53.383 -11.842 7.875 1.00 0.00 N ATOM 117 CA ALA C 8 52.538 -11.124 6.878 1.00 0.00 C ATOM 118 C ALA C 8 53.194 -11.176 5.495 1.00 0.00 C ATOM 119 O ALA C 8 52.560 -11.495 4.509 1.00 0.00 O ATOM 120 CB ALA C 8 52.466 -9.684 7.386 1.00 0.00 C ATOM 0 H ALA C 8 53.537 -11.345 8.753 1.00 0.00 H new ATOM 0 HA ALA C 8 51.548 -11.569 6.776 1.00 0.00 H new ATOM 0 HB1 ALA C 8 51.859 -9.088 6.705 1.00 0.00 H new ATOM 0 HB2 ALA C 8 52.016 -9.670 8.379 1.00 0.00 H new ATOM 0 HB3 ALA C 8 53.471 -9.266 7.437 1.00 0.00 H new ATOM 126 N VAL C 9 54.460 -10.868 5.416 1.00 0.00 N ATOM 127 CA VAL C 9 55.152 -10.905 4.095 1.00 0.00 C ATOM 128 C VAL C 9 54.897 -12.248 3.407 1.00 0.00 C ATOM 129 O VAL C 9 54.380 -12.305 2.308 1.00 0.00 O ATOM 130 CB VAL C 9 56.635 -10.736 4.420 1.00 0.00 C ATOM 131 CG1 VAL C 9 57.428 -10.564 3.123 1.00 0.00 C ATOM 132 CG2 VAL C 9 56.823 -9.498 5.299 1.00 0.00 C ATOM 0 H VAL C 9 55.044 -10.593 6.206 1.00 0.00 H new ATOM 0 HA VAL C 9 54.796 -10.129 3.417 1.00 0.00 H new ATOM 0 HB VAL C 9 56.994 -11.619 4.949 1.00 0.00 H new ATOM 0 HG11 VAL C 9 58.486 -10.444 3.357 1.00 0.00 H new ATOM 0 HG12 VAL C 9 57.293 -11.444 2.495 1.00 0.00 H new ATOM 0 HG13 VAL C 9 57.071 -9.681 2.592 1.00 0.00 H new ATOM 0 HG21 VAL C 9 57.881 -9.375 5.533 1.00 0.00 H new ATOM 0 HG22 VAL C 9 56.464 -8.617 4.768 1.00 0.00 H new ATOM 0 HG23 VAL C 9 56.259 -9.619 6.224 1.00 0.00 H new ATOM 142 N GLU C 10 55.253 -13.328 4.045 1.00 0.00 N ATOM 143 CA GLU C 10 55.027 -14.668 3.430 1.00 0.00 C ATOM 144 C GLU C 10 53.529 -14.897 3.200 1.00 0.00 C ATOM 145 O GLU C 10 53.133 -15.756 2.438 1.00 0.00 O ATOM 146 CB GLU C 10 55.569 -15.669 4.451 1.00 0.00 C ATOM 147 CG GLU C 10 57.006 -16.051 4.087 1.00 0.00 C ATOM 148 CD GLU C 10 57.697 -16.656 5.311 1.00 0.00 C ATOM 149 OE1 GLU C 10 57.194 -16.465 6.405 1.00 0.00 O ATOM 150 OE2 GLU C 10 58.718 -17.299 5.132 1.00 0.00 O ATOM 0 H GLU C 10 55.691 -13.342 4.966 1.00 0.00 H new ATOM 0 HA GLU C 10 55.518 -14.766 2.462 1.00 0.00 H new ATOM 0 HB2 GLU C 10 55.540 -15.235 5.451 1.00 0.00 H new ATOM 0 HB3 GLU C 10 54.940 -16.559 4.471 1.00 0.00 H new ATOM 0 HG2 GLU C 10 57.007 -16.767 3.265 1.00 0.00 H new ATOM 0 HG3 GLU C 10 57.552 -15.172 3.745 1.00 0.00 H new ATOM 157 N GLN C 11 52.696 -14.136 3.857 1.00 0.00 N ATOM 158 CA GLN C 11 51.225 -14.312 3.680 1.00 0.00 C ATOM 159 C GLN C 11 50.682 -13.290 2.677 1.00 0.00 C ATOM 160 O GLN C 11 49.506 -12.984 2.666 1.00 0.00 O ATOM 161 CB GLN C 11 50.632 -14.061 5.068 1.00 0.00 C ATOM 162 CG GLN C 11 50.136 -15.382 5.658 1.00 0.00 C ATOM 163 CD GLN C 11 51.331 -16.220 6.113 1.00 0.00 C ATOM 164 OE1 GLN C 11 52.396 -16.147 5.530 1.00 0.00 O ATOM 165 NE2 GLN C 11 51.202 -17.019 7.136 1.00 0.00 N ATOM 0 H GLN C 11 52.970 -13.400 4.508 1.00 0.00 H new ATOM 0 HA GLN C 11 50.971 -15.299 3.294 1.00 0.00 H new ATOM 0 HB2 GLN C 11 51.384 -13.618 5.721 1.00 0.00 H new ATOM 0 HB3 GLN C 11 49.809 -13.349 5.000 1.00 0.00 H new ATOM 0 HG2 GLN C 11 49.472 -15.189 6.501 1.00 0.00 H new ATOM 0 HG3 GLN C 11 49.557 -15.930 4.914 1.00 0.00 H new ATOM 0 HE21 GLN C 11 50.309 -17.081 7.625 1.00 0.00 H new ATOM 0 HE22 GLN C 11 51.994 -17.582 7.446 1.00 0.00 H new ATOM 174 N LEU C 12 51.527 -12.758 1.837 1.00 0.00 N ATOM 175 CA LEU C 12 51.053 -11.752 0.842 1.00 0.00 C ATOM 176 C LEU C 12 50.286 -12.439 -0.292 1.00 0.00 C ATOM 177 O LEU C 12 50.043 -13.629 -0.260 1.00 0.00 O ATOM 178 CB LEU C 12 52.324 -11.093 0.309 1.00 0.00 C ATOM 179 CG LEU C 12 52.861 -10.109 1.350 1.00 0.00 C ATOM 180 CD1 LEU C 12 54.185 -9.519 0.863 1.00 0.00 C ATOM 181 CD2 LEU C 12 51.845 -8.982 1.554 1.00 0.00 C ATOM 0 H LEU C 12 52.523 -12.975 1.796 1.00 0.00 H new ATOM 0 HA LEU C 12 50.372 -11.026 1.286 1.00 0.00 H new ATOM 0 HB2 LEU C 12 53.075 -11.852 0.088 1.00 0.00 H new ATOM 0 HB3 LEU C 12 52.113 -10.572 -0.625 1.00 0.00 H new ATOM 0 HG LEU C 12 53.023 -10.631 2.293 1.00 0.00 H new ATOM 0 HD11 LEU C 12 54.566 -8.818 1.606 1.00 0.00 H new ATOM 0 HD12 LEU C 12 54.908 -10.321 0.716 1.00 0.00 H new ATOM 0 HD13 LEU C 12 54.025 -8.997 -0.080 1.00 0.00 H new ATOM 0 HD21 LEU C 12 52.225 -8.279 2.295 1.00 0.00 H new ATOM 0 HD22 LEU C 12 51.684 -8.462 0.610 1.00 0.00 H new ATOM 0 HD23 LEU C 12 50.901 -9.402 1.902 1.00 0.00 H new ATOM 193 N THR C 13 49.903 -11.696 -1.295 1.00 0.00 N ATOM 194 CA THR C 13 49.153 -12.303 -2.432 1.00 0.00 C ATOM 195 C THR C 13 49.826 -11.944 -3.759 1.00 0.00 C ATOM 196 O THR C 13 50.835 -11.267 -3.792 1.00 0.00 O ATOM 197 CB THR C 13 47.754 -11.687 -2.357 1.00 0.00 C ATOM 198 OG1 THR C 13 47.815 -10.329 -2.770 1.00 0.00 O ATOM 199 CG2 THR C 13 47.236 -11.765 -0.920 1.00 0.00 C ATOM 0 H THR C 13 50.077 -10.694 -1.376 1.00 0.00 H new ATOM 0 HA THR C 13 49.123 -13.391 -2.374 1.00 0.00 H new ATOM 0 HB THR C 13 47.078 -12.236 -3.013 1.00 0.00 H new ATOM 0 HG1 THR C 13 46.920 -9.933 -2.724 1.00 0.00 H new ATOM 0 HG21 THR C 13 46.240 -11.326 -0.868 1.00 0.00 H new ATOM 0 HG22 THR C 13 47.190 -12.808 -0.606 1.00 0.00 H new ATOM 0 HG23 THR C 13 47.909 -11.217 -0.260 1.00 0.00 H new ATOM 207 N GLU C 14 49.277 -12.392 -4.854 1.00 0.00 N ATOM 208 CA GLU C 14 49.886 -12.078 -6.178 1.00 0.00 C ATOM 209 C GLU C 14 49.682 -10.598 -6.521 1.00 0.00 C ATOM 210 O GLU C 14 50.545 -9.959 -7.088 1.00 0.00 O ATOM 211 CB GLU C 14 49.137 -12.963 -7.173 1.00 0.00 C ATOM 212 CG GLU C 14 47.713 -12.432 -7.357 1.00 0.00 C ATOM 213 CD GLU C 14 46.958 -13.323 -8.344 1.00 0.00 C ATOM 214 OE1 GLU C 14 47.547 -14.282 -8.817 1.00 0.00 O ATOM 215 OE2 GLU C 14 45.804 -13.031 -8.612 1.00 0.00 O ATOM 0 H GLU C 14 48.432 -12.963 -4.890 1.00 0.00 H new ATOM 0 HA GLU C 14 50.960 -12.261 -6.192 1.00 0.00 H new ATOM 0 HB2 GLU C 14 49.659 -12.975 -8.130 1.00 0.00 H new ATOM 0 HB3 GLU C 14 49.109 -13.991 -6.812 1.00 0.00 H new ATOM 0 HG2 GLU C 14 47.194 -12.413 -6.398 1.00 0.00 H new ATOM 0 HG3 GLU C 14 47.741 -11.406 -7.725 1.00 0.00 H new ATOM 222 N GLU C 15 48.546 -10.052 -6.185 1.00 0.00 N ATOM 223 CA GLU C 15 48.286 -8.617 -6.499 1.00 0.00 C ATOM 224 C GLU C 15 49.005 -7.710 -5.495 1.00 0.00 C ATOM 225 O GLU C 15 49.334 -6.580 -5.794 1.00 0.00 O ATOM 226 CB GLU C 15 46.771 -8.456 -6.374 1.00 0.00 C ATOM 227 CG GLU C 15 46.154 -8.326 -7.769 1.00 0.00 C ATOM 228 CD GLU C 15 44.642 -8.534 -7.680 1.00 0.00 C ATOM 229 OE1 GLU C 15 44.226 -9.676 -7.572 1.00 0.00 O ATOM 230 OE2 GLU C 15 43.923 -7.549 -7.722 1.00 0.00 O ATOM 0 H GLU C 15 47.786 -10.536 -5.707 1.00 0.00 H new ATOM 0 HA GLU C 15 48.649 -8.341 -7.489 1.00 0.00 H new ATOM 0 HB2 GLU C 15 46.345 -9.315 -5.855 1.00 0.00 H new ATOM 0 HB3 GLU C 15 46.536 -7.574 -5.777 1.00 0.00 H new ATOM 0 HG2 GLU C 15 46.372 -7.342 -8.185 1.00 0.00 H new ATOM 0 HG3 GLU C 15 46.594 -9.061 -8.443 1.00 0.00 H new ATOM 237 N GLN C 16 49.248 -8.194 -4.308 1.00 0.00 N ATOM 238 CA GLN C 16 49.944 -7.355 -3.290 1.00 0.00 C ATOM 239 C GLN C 16 51.408 -7.145 -3.683 1.00 0.00 C ATOM 240 O GLN C 16 51.832 -6.042 -3.967 1.00 0.00 O ATOM 241 CB GLN C 16 49.844 -8.148 -1.987 1.00 0.00 C ATOM 242 CG GLN C 16 50.220 -7.247 -0.810 1.00 0.00 C ATOM 243 CD GLN C 16 49.107 -7.283 0.238 1.00 0.00 C ATOM 244 OE1 GLN C 16 48.574 -6.257 0.612 1.00 0.00 O ATOM 245 NE2 GLN C 16 48.728 -8.431 0.731 1.00 0.00 N ATOM 0 H GLN C 16 48.995 -9.133 -3.999 1.00 0.00 H new ATOM 0 HA GLN C 16 49.498 -6.364 -3.199 1.00 0.00 H new ATOM 0 HB2 GLN C 16 48.831 -8.529 -1.858 1.00 0.00 H new ATOM 0 HB3 GLN C 16 50.507 -9.012 -2.023 1.00 0.00 H new ATOM 0 HG2 GLN C 16 51.160 -7.580 -0.369 1.00 0.00 H new ATOM 0 HG3 GLN C 16 50.375 -6.225 -1.156 1.00 0.00 H new ATOM 0 HE21 GLN C 16 49.175 -9.293 0.418 1.00 0.00 H new ATOM 0 HE22 GLN C 16 47.985 -8.466 1.429 1.00 0.00 H new ATOM 254 N LYS C 17 52.185 -8.194 -3.705 1.00 0.00 N ATOM 255 CA LYS C 17 53.617 -8.046 -4.085 1.00 0.00 C ATOM 256 C LYS C 17 53.717 -7.312 -5.428 1.00 0.00 C ATOM 257 O LYS C 17 54.560 -6.458 -5.618 1.00 0.00 O ATOM 258 CB LYS C 17 54.145 -9.488 -4.174 1.00 0.00 C ATOM 259 CG LYS C 17 55.175 -9.621 -5.300 1.00 0.00 C ATOM 260 CD LYS C 17 54.464 -10.060 -6.579 1.00 0.00 C ATOM 261 CE LYS C 17 55.248 -11.200 -7.235 1.00 0.00 C ATOM 262 NZ LYS C 17 54.646 -12.448 -6.689 1.00 0.00 N ATOM 0 H LYS C 17 51.890 -9.144 -3.477 1.00 0.00 H new ATOM 0 HA LYS C 17 54.198 -7.460 -3.373 1.00 0.00 H new ATOM 0 HB2 LYS C 17 54.598 -9.773 -3.225 1.00 0.00 H new ATOM 0 HB3 LYS C 17 53.316 -10.173 -4.350 1.00 0.00 H new ATOM 0 HG2 LYS C 17 55.683 -8.670 -5.460 1.00 0.00 H new ATOM 0 HG3 LYS C 17 55.939 -10.348 -5.026 1.00 0.00 H new ATOM 0 HD2 LYS C 17 53.450 -10.387 -6.350 1.00 0.00 H new ATOM 0 HD3 LYS C 17 54.380 -9.219 -7.268 1.00 0.00 H new ATOM 0 HE2 LYS C 17 55.163 -11.163 -8.321 1.00 0.00 H new ATOM 0 HE3 LYS C 17 56.310 -11.137 -6.996 1.00 0.00 H new ATOM 0 HZ1 LYS C 17 55.132 -13.274 -7.093 1.00 0.00 H new ATOM 0 HZ2 LYS C 17 54.748 -12.459 -5.654 1.00 0.00 H new ATOM 0 HZ3 LYS C 17 53.637 -12.484 -6.938 1.00 0.00 H new ATOM 276 N ASN C 18 52.856 -7.632 -6.356 1.00 0.00 N ATOM 277 CA ASN C 18 52.900 -6.945 -7.677 1.00 0.00 C ATOM 278 C ASN C 18 52.938 -5.429 -7.471 1.00 0.00 C ATOM 279 O ASN C 18 53.560 -4.704 -8.222 1.00 0.00 O ATOM 280 CB ASN C 18 51.609 -7.359 -8.384 1.00 0.00 C ATOM 281 CG ASN C 18 51.917 -8.445 -9.417 1.00 0.00 C ATOM 282 OD1 ASN C 18 52.967 -8.439 -10.028 1.00 0.00 O ATOM 283 ND2 ASN C 18 51.038 -9.385 -9.640 1.00 0.00 N ATOM 0 H ASN C 18 52.126 -8.338 -6.256 1.00 0.00 H new ATOM 0 HA ASN C 18 53.782 -7.214 -8.258 1.00 0.00 H new ATOM 0 HB2 ASN C 18 50.886 -7.729 -7.657 1.00 0.00 H new ATOM 0 HB3 ASN C 18 51.157 -6.496 -8.872 1.00 0.00 H new ATOM 0 HD21 ASN C 18 51.233 -10.113 -10.327 1.00 0.00 H new ATOM 0 HD22 ASN C 18 50.156 -9.391 -9.127 1.00 0.00 H new ATOM 290 N GLU C 19 52.280 -4.947 -6.451 1.00 0.00 N ATOM 291 CA GLU C 19 52.279 -3.482 -6.187 1.00 0.00 C ATOM 292 C GLU C 19 53.637 -3.050 -5.632 1.00 0.00 C ATOM 293 O GLU C 19 54.234 -2.097 -6.095 1.00 0.00 O ATOM 294 CB GLU C 19 51.181 -3.269 -5.144 1.00 0.00 C ATOM 295 CG GLU C 19 50.229 -2.172 -5.620 1.00 0.00 C ATOM 296 CD GLU C 19 49.333 -2.721 -6.731 1.00 0.00 C ATOM 297 OE1 GLU C 19 49.731 -2.636 -7.881 1.00 0.00 O ATOM 298 OE2 GLU C 19 48.266 -3.218 -6.413 1.00 0.00 O ATOM 0 H GLU C 19 51.743 -5.507 -5.789 1.00 0.00 H new ATOM 0 HA GLU C 19 52.101 -2.897 -7.089 1.00 0.00 H new ATOM 0 HB2 GLU C 19 50.632 -4.197 -4.984 1.00 0.00 H new ATOM 0 HB3 GLU C 19 51.623 -2.991 -4.187 1.00 0.00 H new ATOM 0 HG2 GLU C 19 49.620 -1.818 -4.788 1.00 0.00 H new ATOM 0 HG3 GLU C 19 50.797 -1.316 -5.986 1.00 0.00 H new ATOM 305 N PHE C 20 54.131 -3.744 -4.644 1.00 0.00 N ATOM 306 CA PHE C 20 55.453 -3.374 -4.061 1.00 0.00 C ATOM 307 C PHE C 20 56.541 -3.453 -5.132 1.00 0.00 C ATOM 308 O PHE C 20 57.421 -2.618 -5.200 1.00 0.00 O ATOM 309 CB PHE C 20 55.705 -4.408 -2.963 1.00 0.00 C ATOM 310 CG PHE C 20 54.548 -4.406 -1.993 1.00 0.00 C ATOM 311 CD1 PHE C 20 53.843 -3.222 -1.747 1.00 0.00 C ATOM 312 CD2 PHE C 20 54.181 -5.589 -1.340 1.00 0.00 C ATOM 313 CE1 PHE C 20 52.770 -3.220 -0.847 1.00 0.00 C ATOM 314 CE2 PHE C 20 53.108 -5.587 -0.440 1.00 0.00 C ATOM 315 CZ PHE C 20 52.402 -4.403 -0.194 1.00 0.00 C ATOM 0 H PHE C 20 53.677 -4.551 -4.215 1.00 0.00 H new ATOM 0 HA PHE C 20 55.463 -2.356 -3.672 1.00 0.00 H new ATOM 0 HB2 PHE C 20 55.823 -5.399 -3.402 1.00 0.00 H new ATOM 0 HB3 PHE C 20 56.633 -4.179 -2.439 1.00 0.00 H new ATOM 0 HD1 PHE C 20 54.127 -2.310 -2.251 1.00 0.00 H new ATOM 0 HD2 PHE C 20 54.725 -6.502 -1.530 1.00 0.00 H new ATOM 0 HE1 PHE C 20 52.226 -2.306 -0.657 1.00 0.00 H new ATOM 0 HE2 PHE C 20 52.825 -6.499 0.065 1.00 0.00 H new ATOM 0 HZ PHE C 20 51.574 -4.402 0.499 1.00 0.00 H new ATOM 325 N LYS C 21 56.490 -4.452 -5.973 1.00 0.00 N ATOM 326 CA LYS C 21 57.524 -4.580 -7.039 1.00 0.00 C ATOM 327 C LYS C 21 57.796 -3.213 -7.673 1.00 0.00 C ATOM 328 O LYS C 21 58.927 -2.778 -7.770 1.00 0.00 O ATOM 329 CB LYS C 21 56.920 -5.542 -8.064 1.00 0.00 C ATOM 330 CG LYS C 21 57.426 -6.961 -7.793 1.00 0.00 C ATOM 331 CD LYS C 21 58.737 -7.190 -8.547 1.00 0.00 C ATOM 332 CE LYS C 21 59.378 -8.498 -8.076 1.00 0.00 C ATOM 333 NZ LYS C 21 59.106 -9.474 -9.168 1.00 0.00 N ATOM 0 H LYS C 21 55.778 -5.183 -5.967 1.00 0.00 H new ATOM 0 HA LYS C 21 58.476 -4.946 -6.654 1.00 0.00 H new ATOM 0 HB2 LYS C 21 55.832 -5.515 -8.006 1.00 0.00 H new ATOM 0 HB3 LYS C 21 57.193 -5.234 -9.073 1.00 0.00 H new ATOM 0 HG2 LYS C 21 57.580 -7.105 -6.724 1.00 0.00 H new ATOM 0 HG3 LYS C 21 56.680 -7.691 -8.109 1.00 0.00 H new ATOM 0 HD2 LYS C 21 58.549 -7.231 -9.620 1.00 0.00 H new ATOM 0 HD3 LYS C 21 59.418 -6.357 -8.374 1.00 0.00 H new ATOM 0 HE2 LYS C 21 60.449 -8.377 -7.912 1.00 0.00 H new ATOM 0 HE3 LYS C 21 58.947 -8.831 -7.132 1.00 0.00 H new ATOM 0 HZ1 LYS C 21 59.515 -10.397 -8.919 1.00 0.00 H new ATOM 0 HZ2 LYS C 21 58.079 -9.574 -9.296 1.00 0.00 H new ATOM 0 HZ3 LYS C 21 59.534 -9.133 -10.053 1.00 0.00 H new ATOM 347 N ALA C 22 56.769 -2.529 -8.101 1.00 0.00 N ATOM 348 CA ALA C 22 56.979 -1.188 -8.722 1.00 0.00 C ATOM 349 C ALA C 22 57.890 -0.338 -7.835 1.00 0.00 C ATOM 350 O ALA C 22 58.995 0.002 -8.207 1.00 0.00 O ATOM 351 CB ALA C 22 55.584 -0.567 -8.809 1.00 0.00 C ATOM 0 H ALA C 22 55.798 -2.838 -8.048 1.00 0.00 H new ATOM 0 HA ALA C 22 57.455 -1.254 -9.700 1.00 0.00 H new ATOM 0 HB1 ALA C 22 55.654 0.424 -9.257 1.00 0.00 H new ATOM 0 HB2 ALA C 22 54.942 -1.198 -9.424 1.00 0.00 H new ATOM 0 HB3 ALA C 22 55.160 -0.484 -7.808 1.00 0.00 H new ATOM 357 N ALA C 23 57.437 0.003 -6.659 1.00 0.00 N ATOM 358 CA ALA C 23 58.281 0.824 -5.746 1.00 0.00 C ATOM 359 C ALA C 23 59.675 0.204 -5.631 1.00 0.00 C ATOM 360 O ALA C 23 60.670 0.826 -5.942 1.00 0.00 O ATOM 361 CB ALA C 23 57.562 0.786 -4.399 1.00 0.00 C ATOM 0 H ALA C 23 56.520 -0.251 -6.292 1.00 0.00 H new ATOM 0 HA ALA C 23 58.412 1.845 -6.104 1.00 0.00 H new ATOM 0 HB1 ALA C 23 58.124 1.370 -3.670 1.00 0.00 H new ATOM 0 HB2 ALA C 23 56.562 1.206 -4.508 1.00 0.00 H new ATOM 0 HB3 ALA C 23 57.486 -0.246 -4.056 1.00 0.00 H new ATOM 367 N PHE C 24 59.751 -1.021 -5.191 1.00 0.00 N ATOM 368 CA PHE C 24 61.079 -1.685 -5.061 1.00 0.00 C ATOM 369 C PHE C 24 61.925 -1.413 -6.308 1.00 0.00 C ATOM 370 O PHE C 24 63.136 -1.348 -6.246 1.00 0.00 O ATOM 371 CB PHE C 24 60.765 -3.177 -4.942 1.00 0.00 C ATOM 372 CG PHE C 24 62.040 -3.975 -5.079 1.00 0.00 C ATOM 373 CD1 PHE C 24 63.056 -3.842 -4.125 1.00 0.00 C ATOM 374 CD2 PHE C 24 62.204 -4.849 -6.160 1.00 0.00 C ATOM 375 CE1 PHE C 24 64.238 -4.583 -4.253 1.00 0.00 C ATOM 376 CE2 PHE C 24 63.385 -5.591 -6.287 1.00 0.00 C ATOM 377 CZ PHE C 24 64.402 -5.458 -5.334 1.00 0.00 C ATOM 0 H PHE C 24 58.951 -1.591 -4.916 1.00 0.00 H new ATOM 0 HA PHE C 24 61.645 -1.318 -4.204 1.00 0.00 H new ATOM 0 HB2 PHE C 24 60.296 -3.385 -3.980 1.00 0.00 H new ATOM 0 HB3 PHE C 24 60.054 -3.472 -5.714 1.00 0.00 H new ATOM 0 HD1 PHE C 24 62.929 -3.168 -3.291 1.00 0.00 H new ATOM 0 HD2 PHE C 24 61.420 -4.951 -6.896 1.00 0.00 H new ATOM 0 HE1 PHE C 24 65.023 -4.479 -3.518 1.00 0.00 H new ATOM 0 HE2 PHE C 24 63.511 -6.266 -7.120 1.00 0.00 H new ATOM 0 HZ PHE C 24 65.313 -6.030 -5.433 1.00 0.00 H new ATOM 387 N ASP C 25 61.293 -1.251 -7.440 1.00 0.00 N ATOM 388 CA ASP C 25 62.058 -0.979 -8.691 1.00 0.00 C ATOM 389 C ASP C 25 62.626 0.442 -8.661 1.00 0.00 C ATOM 390 O ASP C 25 63.824 0.643 -8.640 1.00 0.00 O ATOM 391 CB ASP C 25 61.036 -1.128 -9.819 1.00 0.00 C ATOM 392 CG ASP C 25 61.488 -2.225 -10.785 1.00 0.00 C ATOM 393 OD1 ASP C 25 62.457 -2.898 -10.479 1.00 0.00 O ATOM 394 OD2 ASP C 25 60.855 -2.373 -11.819 1.00 0.00 O ATOM 0 H ASP C 25 60.280 -1.295 -7.552 1.00 0.00 H new ATOM 0 HA ASP C 25 62.903 -1.656 -8.817 1.00 0.00 H new ATOM 0 HB2 ASP C 25 60.058 -1.375 -9.406 1.00 0.00 H new ATOM 0 HB3 ASP C 25 60.928 -0.183 -10.352 1.00 0.00 H new ATOM 399 N ILE C 26 61.773 1.431 -8.656 1.00 0.00 N ATOM 400 CA ILE C 26 62.264 2.840 -8.623 1.00 0.00 C ATOM 401 C ILE C 26 63.233 3.030 -7.454 1.00 0.00 C ATOM 402 O ILE C 26 64.064 3.916 -7.459 1.00 0.00 O ATOM 403 CB ILE C 26 61.015 3.692 -8.413 1.00 0.00 C ATOM 404 CG1 ILE C 26 60.205 3.741 -9.708 1.00 0.00 C ATOM 405 CG2 ILE C 26 61.424 5.111 -8.012 1.00 0.00 C ATOM 406 CD1 ILE C 26 59.138 2.648 -9.675 1.00 0.00 C ATOM 0 H ILE C 26 60.759 1.325 -8.673 1.00 0.00 H new ATOM 0 HA ILE C 26 62.797 3.111 -9.534 1.00 0.00 H new ATOM 0 HB ILE C 26 60.407 3.253 -7.622 1.00 0.00 H new ATOM 0 HG12 ILE C 26 59.737 4.719 -9.822 1.00 0.00 H new ATOM 0 HG13 ILE C 26 60.861 3.600 -10.567 1.00 0.00 H new ATOM 0 HG21 ILE C 26 60.531 5.718 -7.862 1.00 0.00 H new ATOM 0 HG22 ILE C 26 61.999 5.076 -7.086 1.00 0.00 H new ATOM 0 HG23 ILE C 26 62.034 5.551 -8.801 1.00 0.00 H new ATOM 0 HD11 ILE C 26 58.557 2.679 -10.597 1.00 0.00 H new ATOM 0 HD12 ILE C 26 59.618 1.674 -9.581 1.00 0.00 H new ATOM 0 HD13 ILE C 26 58.477 2.811 -8.824 1.00 0.00 H new ATOM 418 N PHE C 27 63.122 2.208 -6.448 1.00 0.00 N ATOM 419 CA PHE C 27 64.024 2.341 -5.270 1.00 0.00 C ATOM 420 C PHE C 27 65.431 1.830 -5.599 1.00 0.00 C ATOM 421 O PHE C 27 66.315 1.841 -4.765 1.00 0.00 O ATOM 422 CB PHE C 27 63.379 1.473 -4.190 1.00 0.00 C ATOM 423 CG PHE C 27 62.358 2.286 -3.432 1.00 0.00 C ATOM 424 CD1 PHE C 27 61.437 3.078 -4.128 1.00 0.00 C ATOM 425 CD2 PHE C 27 62.333 2.249 -2.032 1.00 0.00 C ATOM 426 CE1 PHE C 27 60.490 3.832 -3.424 1.00 0.00 C ATOM 427 CE2 PHE C 27 61.387 3.003 -1.329 1.00 0.00 C ATOM 428 CZ PHE C 27 60.465 3.795 -2.024 1.00 0.00 C ATOM 0 H PHE C 27 62.444 1.448 -6.391 1.00 0.00 H new ATOM 0 HA PHE C 27 64.139 3.379 -4.957 1.00 0.00 H new ATOM 0 HB2 PHE C 27 62.903 0.604 -4.644 1.00 0.00 H new ATOM 0 HB3 PHE C 27 64.141 1.099 -3.507 1.00 0.00 H new ATOM 0 HD1 PHE C 27 61.457 3.107 -5.207 1.00 0.00 H new ATOM 0 HD2 PHE C 27 63.044 1.638 -1.495 1.00 0.00 H new ATOM 0 HE1 PHE C 27 59.779 4.442 -3.961 1.00 0.00 H new ATOM 0 HE2 PHE C 27 61.368 2.974 -0.250 1.00 0.00 H new ATOM 0 HZ PHE C 27 59.735 4.377 -1.481 1.00 0.00 H new ATOM 438 N VAL C 28 65.651 1.374 -6.804 1.00 0.00 N ATOM 439 CA VAL C 28 66.999 0.859 -7.167 1.00 0.00 C ATOM 440 C VAL C 28 67.334 1.198 -8.622 1.00 0.00 C ATOM 441 O VAL C 28 68.273 0.674 -9.188 1.00 0.00 O ATOM 442 CB VAL C 28 66.884 -0.649 -6.992 1.00 0.00 C ATOM 443 CG1 VAL C 28 66.645 -0.977 -5.517 1.00 0.00 C ATOM 444 CG2 VAL C 28 65.711 -1.165 -7.829 1.00 0.00 C ATOM 0 H VAL C 28 64.956 1.337 -7.549 1.00 0.00 H new ATOM 0 HA VAL C 28 67.788 1.297 -6.555 1.00 0.00 H new ATOM 0 HB VAL C 28 67.807 -1.127 -7.321 1.00 0.00 H new ATOM 0 HG11 VAL C 28 66.563 -2.057 -5.393 1.00 0.00 H new ATOM 0 HG12 VAL C 28 67.479 -0.606 -4.922 1.00 0.00 H new ATOM 0 HG13 VAL C 28 65.722 -0.502 -5.184 1.00 0.00 H new ATOM 0 HG21 VAL C 28 65.624 -2.245 -7.707 1.00 0.00 H new ATOM 0 HG22 VAL C 28 64.789 -0.687 -7.497 1.00 0.00 H new ATOM 0 HG23 VAL C 28 65.883 -0.931 -8.880 1.00 0.00 H new ATOM 454 N LEU C 29 66.574 2.062 -9.236 1.00 0.00 N ATOM 455 CA LEU C 29 66.854 2.421 -10.655 1.00 0.00 C ATOM 456 C LEU C 29 68.334 2.773 -10.838 1.00 0.00 C ATOM 457 O LEU C 29 69.009 2.232 -11.691 1.00 0.00 O ATOM 458 CB LEU C 29 65.976 3.640 -10.939 1.00 0.00 C ATOM 459 CG LEU C 29 65.281 3.467 -12.290 1.00 0.00 C ATOM 460 CD1 LEU C 29 63.849 3.993 -12.196 1.00 0.00 C ATOM 461 CD2 LEU C 29 66.041 4.255 -13.359 1.00 0.00 C ATOM 0 H LEU C 29 65.773 2.534 -8.818 1.00 0.00 H new ATOM 0 HA LEU C 29 66.640 1.596 -11.334 1.00 0.00 H new ATOM 0 HB2 LEU C 29 65.234 3.758 -10.149 1.00 0.00 H new ATOM 0 HB3 LEU C 29 66.583 4.545 -10.944 1.00 0.00 H new ATOM 0 HG LEU C 29 65.265 2.411 -12.558 1.00 0.00 H new ATOM 0 HD11 LEU C 29 63.352 3.870 -13.159 1.00 0.00 H new ATOM 0 HD12 LEU C 29 63.306 3.435 -11.434 1.00 0.00 H new ATOM 0 HD13 LEU C 29 63.866 5.050 -11.929 1.00 0.00 H new ATOM 0 HD21 LEU C 29 65.546 4.132 -14.322 1.00 0.00 H new ATOM 0 HD22 LEU C 29 66.056 5.311 -13.091 1.00 0.00 H new ATOM 0 HD23 LEU C 29 67.064 3.884 -13.427 1.00 0.00 H new ATOM 473 N GLY C 30 68.843 3.677 -10.046 1.00 0.00 N ATOM 474 CA GLY C 30 70.276 4.062 -10.179 1.00 0.00 C ATOM 475 C GLY C 30 71.166 2.922 -9.679 1.00 0.00 C ATOM 476 O GLY C 30 72.336 2.851 -9.998 1.00 0.00 O ATOM 0 H GLY C 30 68.328 4.165 -9.313 1.00 0.00 H new ATOM 0 HA2 GLY C 30 70.507 4.286 -11.220 1.00 0.00 H new ATOM 0 HA3 GLY C 30 70.474 4.968 -9.606 1.00 0.00 H new ATOM 480 N ALA C 31 70.621 2.031 -8.897 1.00 0.00 N ATOM 481 CA ALA C 31 71.439 0.897 -8.378 1.00 0.00 C ATOM 482 C ALA C 31 71.625 -0.164 -9.466 1.00 0.00 C ATOM 483 O ALA C 31 70.694 -0.528 -10.156 1.00 0.00 O ATOM 484 CB ALA C 31 70.634 0.330 -7.208 1.00 0.00 C ATOM 0 H ALA C 31 69.647 2.038 -8.595 1.00 0.00 H new ATOM 0 HA ALA C 31 72.436 1.214 -8.071 1.00 0.00 H new ATOM 0 HB1 ALA C 31 71.171 -0.512 -6.771 1.00 0.00 H new ATOM 0 HB2 ALA C 31 70.495 1.104 -6.453 1.00 0.00 H new ATOM 0 HB3 ALA C 31 69.661 -0.007 -7.565 1.00 0.00 H new ATOM 490 N GLU C 32 72.821 -0.663 -9.623 1.00 0.00 N ATOM 491 CA GLU C 32 73.066 -1.701 -10.665 1.00 0.00 C ATOM 492 C GLU C 32 73.032 -3.098 -10.037 1.00 0.00 C ATOM 493 O GLU C 32 73.054 -4.099 -10.725 1.00 0.00 O ATOM 494 CB GLU C 32 74.461 -1.393 -11.209 1.00 0.00 C ATOM 495 CG GLU C 32 74.394 -1.236 -12.728 1.00 0.00 C ATOM 496 CD GLU C 32 75.806 -1.304 -13.312 1.00 0.00 C ATOM 497 OE1 GLU C 32 76.513 -2.246 -12.994 1.00 0.00 O ATOM 498 OE2 GLU C 32 76.157 -0.412 -14.067 1.00 0.00 O ATOM 0 H GLU C 32 73.639 -0.397 -9.075 1.00 0.00 H new ATOM 0 HA GLU C 32 72.309 -1.686 -11.450 1.00 0.00 H new ATOM 0 HB2 GLU C 32 74.846 -0.480 -10.755 1.00 0.00 H new ATOM 0 HB3 GLU C 32 75.151 -2.195 -10.946 1.00 0.00 H new ATOM 0 HG2 GLU C 32 73.773 -2.022 -13.158 1.00 0.00 H new ATOM 0 HG3 GLU C 32 73.928 -0.285 -12.986 1.00 0.00 H new ATOM 505 N ASP C 33 72.980 -3.171 -8.735 1.00 0.00 N ATOM 506 CA ASP C 33 72.946 -4.501 -8.063 1.00 0.00 C ATOM 507 C ASP C 33 71.516 -4.841 -7.636 1.00 0.00 C ATOM 508 O ASP C 33 71.036 -5.935 -7.857 1.00 0.00 O ATOM 509 CB ASP C 33 73.851 -4.348 -6.840 1.00 0.00 C ATOM 510 CG ASP C 33 74.391 -5.719 -6.428 1.00 0.00 C ATOM 511 OD1 ASP C 33 74.625 -6.531 -7.309 1.00 0.00 O ATOM 512 OD2 ASP C 33 74.560 -5.935 -5.239 1.00 0.00 O ATOM 0 H ASP C 33 72.960 -2.367 -8.108 1.00 0.00 H new ATOM 0 HA ASP C 33 73.280 -5.305 -8.719 1.00 0.00 H new ATOM 0 HB2 ASP C 33 74.677 -3.674 -7.068 1.00 0.00 H new ATOM 0 HB3 ASP C 33 73.294 -3.902 -6.016 1.00 0.00 H new ATOM 517 N GLY C 34 70.832 -3.912 -7.028 1.00 0.00 N ATOM 518 CA GLY C 34 69.433 -4.184 -6.590 1.00 0.00 C ATOM 519 C GLY C 34 69.297 -3.889 -5.095 1.00 0.00 C ATOM 520 O GLY C 34 68.781 -4.689 -4.340 1.00 0.00 O ATOM 0 H GLY C 34 71.180 -2.977 -6.815 1.00 0.00 H new ATOM 0 HA2 GLY C 34 68.737 -3.566 -7.158 1.00 0.00 H new ATOM 0 HA3 GLY C 34 69.174 -5.223 -6.791 1.00 0.00 H new ATOM 524 N CYS C 35 69.751 -2.745 -4.662 1.00 0.00 N ATOM 525 CA CYS C 35 69.644 -2.398 -3.216 1.00 0.00 C ATOM 526 C CYS C 35 69.283 -0.918 -3.063 1.00 0.00 C ATOM 527 O CYS C 35 69.275 -0.172 -4.022 1.00 0.00 O ATOM 528 CB CYS C 35 71.030 -2.678 -2.636 1.00 0.00 C ATOM 529 SG CYS C 35 72.214 -1.482 -3.303 1.00 0.00 S ATOM 0 H CYS C 35 70.192 -2.035 -5.247 1.00 0.00 H new ATOM 0 HA CYS C 35 68.870 -2.971 -2.705 1.00 0.00 H new ATOM 0 HB2 CYS C 35 71.002 -2.610 -1.548 1.00 0.00 H new ATOM 0 HB3 CYS C 35 71.342 -3.692 -2.884 1.00 0.00 H new ATOM 0 HG CYS C 35 73.393 -1.717 -2.809 1.00 0.00 H new ATOM 535 N ILE C 36 68.979 -0.487 -1.871 1.00 0.00 N ATOM 536 CA ILE C 36 68.615 0.945 -1.674 1.00 0.00 C ATOM 537 C ILE C 36 69.587 1.621 -0.705 1.00 0.00 C ATOM 538 O ILE C 36 70.264 0.976 0.071 1.00 0.00 O ATOM 539 CB ILE C 36 67.208 0.919 -1.083 1.00 0.00 C ATOM 540 CG1 ILE C 36 66.235 0.364 -2.122 1.00 0.00 C ATOM 541 CG2 ILE C 36 66.788 2.339 -0.699 1.00 0.00 C ATOM 542 CD1 ILE C 36 65.166 -0.477 -1.423 1.00 0.00 C ATOM 0 H ILE C 36 68.967 -1.061 -1.028 1.00 0.00 H new ATOM 0 HA ILE C 36 68.659 1.508 -2.607 1.00 0.00 H new ATOM 0 HB ILE C 36 67.197 0.286 -0.196 1.00 0.00 H new ATOM 0 HG12 ILE C 36 65.768 1.181 -2.671 1.00 0.00 H new ATOM 0 HG13 ILE C 36 66.772 -0.244 -2.850 1.00 0.00 H new ATOM 0 HG21 ILE C 36 65.783 2.320 -0.277 1.00 0.00 H new ATOM 0 HG22 ILE C 36 67.484 2.737 0.039 1.00 0.00 H new ATOM 0 HG23 ILE C 36 66.797 2.973 -1.585 1.00 0.00 H new ATOM 0 HD11 ILE C 36 64.472 -0.873 -2.165 1.00 0.00 H new ATOM 0 HD12 ILE C 36 65.641 -1.303 -0.894 1.00 0.00 H new ATOM 0 HD13 ILE C 36 64.622 0.144 -0.712 1.00 0.00 H new ATOM 554 N SER C 37 69.656 2.921 -0.753 1.00 0.00 N ATOM 555 CA SER C 37 70.574 3.665 0.153 1.00 0.00 C ATOM 556 C SER C 37 70.095 5.107 0.281 1.00 0.00 C ATOM 557 O SER C 37 70.878 6.029 0.367 1.00 0.00 O ATOM 558 CB SER C 37 71.922 3.624 -0.548 1.00 0.00 C ATOM 559 OG SER C 37 72.855 2.919 0.261 1.00 0.00 O ATOM 0 H SER C 37 69.111 3.505 -1.387 1.00 0.00 H new ATOM 0 HA SER C 37 70.619 3.239 1.155 1.00 0.00 H new ATOM 0 HB2 SER C 37 71.825 3.137 -1.518 1.00 0.00 H new ATOM 0 HB3 SER C 37 72.278 4.637 -0.734 1.00 0.00 H new ATOM 0 HG SER C 37 73.724 2.891 -0.191 1.00 0.00 H new ATOM 565 N THR C 38 68.806 5.294 0.265 1.00 0.00 N ATOM 566 CA THR C 38 68.206 6.665 0.354 1.00 0.00 C ATOM 567 C THR C 38 68.376 7.384 -0.986 1.00 0.00 C ATOM 568 O THR C 38 67.431 7.903 -1.544 1.00 0.00 O ATOM 569 CB THR C 38 68.941 7.417 1.478 1.00 0.00 C ATOM 570 OG1 THR C 38 70.093 8.063 0.953 1.00 0.00 O ATOM 571 CG2 THR C 38 69.347 6.446 2.591 1.00 0.00 C ATOM 0 H THR C 38 68.123 4.540 0.192 1.00 0.00 H new ATOM 0 HA THR C 38 67.140 6.618 0.575 1.00 0.00 H new ATOM 0 HB THR C 38 68.270 8.167 1.897 1.00 0.00 H new ATOM 0 HG1 THR C 38 70.815 7.409 0.848 1.00 0.00 H new ATOM 0 HG21 THR C 38 69.866 6.992 3.379 1.00 0.00 H new ATOM 0 HG22 THR C 38 68.456 5.973 3.004 1.00 0.00 H new ATOM 0 HG23 THR C 38 70.008 5.681 2.183 1.00 0.00 H new ATOM 579 N LYS C 39 69.567 7.407 -1.522 1.00 0.00 N ATOM 580 CA LYS C 39 69.769 8.077 -2.838 1.00 0.00 C ATOM 581 C LYS C 39 68.676 7.620 -3.807 1.00 0.00 C ATOM 582 O LYS C 39 68.041 8.419 -4.468 1.00 0.00 O ATOM 583 CB LYS C 39 71.144 7.609 -3.318 1.00 0.00 C ATOM 584 CG LYS C 39 71.682 8.587 -4.365 1.00 0.00 C ATOM 585 CD LYS C 39 72.610 7.845 -5.327 1.00 0.00 C ATOM 586 CE LYS C 39 73.274 8.850 -6.271 1.00 0.00 C ATOM 587 NZ LYS C 39 74.714 8.843 -5.892 1.00 0.00 N ATOM 0 H LYS C 39 70.403 6.994 -1.109 1.00 0.00 H new ATOM 0 HA LYS C 39 69.718 9.164 -2.772 1.00 0.00 H new ATOM 0 HB2 LYS C 39 71.833 7.547 -2.476 1.00 0.00 H new ATOM 0 HB3 LYS C 39 71.071 6.608 -3.744 1.00 0.00 H new ATOM 0 HG2 LYS C 39 70.856 9.038 -4.915 1.00 0.00 H new ATOM 0 HG3 LYS C 39 72.221 9.399 -3.877 1.00 0.00 H new ATOM 0 HD2 LYS C 39 73.369 7.298 -4.768 1.00 0.00 H new ATOM 0 HD3 LYS C 39 72.045 7.110 -5.900 1.00 0.00 H new ATOM 0 HE2 LYS C 39 73.139 8.561 -7.313 1.00 0.00 H new ATOM 0 HE3 LYS C 39 72.841 9.844 -6.157 1.00 0.00 H new ATOM 0 HZ1 LYS C 39 75.235 9.509 -6.497 1.00 0.00 H new ATOM 0 HZ2 LYS C 39 74.812 9.129 -4.897 1.00 0.00 H new ATOM 0 HZ3 LYS C 39 75.101 7.886 -6.017 1.00 0.00 H new ATOM 601 N GLU C 40 68.441 6.338 -3.879 1.00 0.00 N ATOM 602 CA GLU C 40 67.376 5.818 -4.786 1.00 0.00 C ATOM 603 C GLU C 40 66.033 5.849 -4.059 1.00 0.00 C ATOM 604 O GLU C 40 64.985 5.953 -4.663 1.00 0.00 O ATOM 605 CB GLU C 40 67.776 4.374 -5.093 1.00 0.00 C ATOM 606 CG GLU C 40 69.267 4.314 -5.422 1.00 0.00 C ATOM 607 CD GLU C 40 69.559 5.214 -6.622 1.00 0.00 C ATOM 608 OE1 GLU C 40 69.815 6.388 -6.410 1.00 0.00 O ATOM 609 OE2 GLU C 40 69.518 4.716 -7.734 1.00 0.00 O ATOM 0 H GLU C 40 68.942 5.626 -3.348 1.00 0.00 H new ATOM 0 HA GLU C 40 67.277 6.411 -5.695 1.00 0.00 H new ATOM 0 HB2 GLU C 40 67.556 3.735 -4.237 1.00 0.00 H new ATOM 0 HB3 GLU C 40 67.193 3.995 -5.932 1.00 0.00 H new ATOM 0 HG2 GLU C 40 69.854 4.635 -4.561 1.00 0.00 H new ATOM 0 HG3 GLU C 40 69.561 3.288 -5.643 1.00 0.00 H new ATOM 616 N LEU C 41 66.066 5.758 -2.758 1.00 0.00 N ATOM 617 CA LEU C 41 64.806 5.779 -1.968 1.00 0.00 C ATOM 618 C LEU C 41 64.311 7.223 -1.815 1.00 0.00 C ATOM 619 O LEU C 41 63.271 7.589 -2.324 1.00 0.00 O ATOM 620 CB LEU C 41 65.200 5.161 -0.615 1.00 0.00 C ATOM 621 CG LEU C 41 64.392 5.787 0.526 1.00 0.00 C ATOM 622 CD1 LEU C 41 62.912 5.808 0.152 1.00 0.00 C ATOM 623 CD2 LEU C 41 64.584 4.961 1.798 1.00 0.00 C ATOM 0 H LEU C 41 66.919 5.669 -2.206 1.00 0.00 H new ATOM 0 HA LEU C 41 63.990 5.229 -2.436 1.00 0.00 H new ATOM 0 HB2 LEU C 41 65.030 4.085 -0.639 1.00 0.00 H new ATOM 0 HB3 LEU C 41 66.265 5.312 -0.438 1.00 0.00 H new ATOM 0 HG LEU C 41 64.737 6.807 0.698 1.00 0.00 H new ATOM 0 HD11 LEU C 41 62.338 6.254 0.964 1.00 0.00 H new ATOM 0 HD12 LEU C 41 62.774 6.397 -0.755 1.00 0.00 H new ATOM 0 HD13 LEU C 41 62.566 4.789 -0.021 1.00 0.00 H new ATOM 0 HD21 LEU C 41 64.009 5.406 2.611 1.00 0.00 H new ATOM 0 HD22 LEU C 41 64.239 3.941 1.625 1.00 0.00 H new ATOM 0 HD23 LEU C 41 65.640 4.946 2.066 1.00 0.00 H new ATOM 635 N GLY C 42 65.048 8.044 -1.119 1.00 0.00 N ATOM 636 CA GLY C 42 64.618 9.459 -0.936 1.00 0.00 C ATOM 637 C GLY C 42 64.168 10.036 -2.280 1.00 0.00 C ATOM 638 O GLY C 42 63.217 10.788 -2.357 1.00 0.00 O ATOM 0 H GLY C 42 65.929 7.796 -0.669 1.00 0.00 H new ATOM 0 HA2 GLY C 42 63.802 9.512 -0.215 1.00 0.00 H new ATOM 0 HA3 GLY C 42 65.440 10.050 -0.532 1.00 0.00 H new ATOM 642 N LYS C 43 64.842 9.689 -3.343 1.00 0.00 N ATOM 643 CA LYS C 43 64.448 10.219 -4.679 1.00 0.00 C ATOM 644 C LYS C 43 62.939 10.067 -4.887 1.00 0.00 C ATOM 645 O LYS C 43 62.325 10.816 -5.621 1.00 0.00 O ATOM 646 CB LYS C 43 65.218 9.367 -5.688 1.00 0.00 C ATOM 647 CG LYS C 43 66.509 10.088 -6.083 1.00 0.00 C ATOM 648 CD LYS C 43 66.218 11.070 -7.218 1.00 0.00 C ATOM 649 CE LYS C 43 66.416 10.369 -8.562 1.00 0.00 C ATOM 650 NZ LYS C 43 65.258 10.802 -9.393 1.00 0.00 N ATOM 0 H LYS C 43 65.647 9.063 -3.344 1.00 0.00 H new ATOM 0 HA LYS C 43 64.676 11.280 -4.784 1.00 0.00 H new ATOM 0 HB2 LYS C 43 65.450 8.393 -5.256 1.00 0.00 H new ATOM 0 HB3 LYS C 43 64.605 9.186 -6.571 1.00 0.00 H new ATOM 0 HG2 LYS C 43 66.919 10.620 -5.224 1.00 0.00 H new ATOM 0 HG3 LYS C 43 67.261 9.364 -6.398 1.00 0.00 H new ATOM 0 HD2 LYS C 43 65.197 11.443 -7.137 1.00 0.00 H new ATOM 0 HD3 LYS C 43 66.880 11.933 -7.145 1.00 0.00 H new ATOM 0 HE2 LYS C 43 67.362 10.656 -9.022 1.00 0.00 H new ATOM 0 HE3 LYS C 43 66.435 9.286 -8.444 1.00 0.00 H new ATOM 0 HZ1 LYS C 43 65.322 10.362 -10.333 1.00 0.00 H new ATOM 0 HZ2 LYS C 43 64.372 10.510 -8.933 1.00 0.00 H new ATOM 0 HZ3 LYS C 43 65.271 11.837 -9.493 1.00 0.00 H new ATOM 664 N VAL C 44 62.335 9.102 -4.248 1.00 0.00 N ATOM 665 CA VAL C 44 60.868 8.906 -4.409 1.00 0.00 C ATOM 666 C VAL C 44 60.104 9.906 -3.538 1.00 0.00 C ATOM 667 O VAL C 44 59.003 10.308 -3.857 1.00 0.00 O ATOM 668 CB VAL C 44 60.607 7.476 -3.937 1.00 0.00 C ATOM 669 CG1 VAL C 44 59.101 7.236 -3.844 1.00 0.00 C ATOM 670 CG2 VAL C 44 61.221 6.490 -4.933 1.00 0.00 C ATOM 0 H VAL C 44 62.795 8.441 -3.622 1.00 0.00 H new ATOM 0 HA VAL C 44 60.539 9.063 -5.436 1.00 0.00 H new ATOM 0 HB VAL C 44 61.059 7.330 -2.956 1.00 0.00 H new ATOM 0 HG11 VAL C 44 58.915 6.216 -3.507 1.00 0.00 H new ATOM 0 HG12 VAL C 44 58.664 7.938 -3.134 1.00 0.00 H new ATOM 0 HG13 VAL C 44 58.648 7.383 -4.824 1.00 0.00 H new ATOM 0 HG21 VAL C 44 61.035 5.470 -4.597 1.00 0.00 H new ATOM 0 HG22 VAL C 44 60.770 6.636 -5.915 1.00 0.00 H new ATOM 0 HG23 VAL C 44 62.296 6.660 -4.998 1.00 0.00 H new ATOM 680 N MET C 45 60.681 10.314 -2.440 1.00 0.00 N ATOM 681 CA MET C 45 59.985 11.289 -1.552 1.00 0.00 C ATOM 682 C MET C 45 59.617 12.548 -2.339 1.00 0.00 C ATOM 683 O MET C 45 58.631 13.200 -2.063 1.00 0.00 O ATOM 684 CB MET C 45 60.995 11.617 -0.452 1.00 0.00 C ATOM 685 CG MET C 45 60.864 10.598 0.682 1.00 0.00 C ATOM 686 SD MET C 45 61.123 8.929 0.029 1.00 0.00 S ATOM 687 CE MET C 45 59.388 8.546 -0.312 1.00 0.00 C ATOM 0 H MET C 45 61.602 10.015 -2.120 1.00 0.00 H new ATOM 0 HA MET C 45 59.058 10.888 -1.144 1.00 0.00 H new ATOM 0 HB2 MET C 45 62.007 11.599 -0.856 1.00 0.00 H new ATOM 0 HB3 MET C 45 60.821 12.624 -0.072 1.00 0.00 H new ATOM 0 HG2 MET C 45 61.594 10.812 1.463 1.00 0.00 H new ATOM 0 HG3 MET C 45 59.877 10.672 1.139 1.00 0.00 H new ATOM 0 HE1 MET C 45 59.221 7.476 -0.192 1.00 0.00 H new ATOM 0 HE2 MET C 45 58.751 9.093 0.384 1.00 0.00 H new ATOM 0 HE3 MET C 45 59.145 8.839 -1.333 1.00 0.00 H new ATOM 697 N ARG C 46 60.403 12.893 -3.321 1.00 0.00 N ATOM 698 CA ARG C 46 60.097 14.107 -4.127 1.00 0.00 C ATOM 699 C ARG C 46 58.835 13.876 -4.961 1.00 0.00 C ATOM 700 O ARG C 46 58.008 14.752 -5.111 1.00 0.00 O ATOM 701 CB ARG C 46 61.312 14.298 -5.035 1.00 0.00 C ATOM 702 CG ARG C 46 62.176 15.443 -4.500 1.00 0.00 C ATOM 703 CD ARG C 46 62.035 16.660 -5.416 1.00 0.00 C ATOM 704 NE ARG C 46 62.781 16.301 -6.653 1.00 0.00 N ATOM 705 CZ ARG C 46 62.186 16.358 -7.813 1.00 0.00 C ATOM 706 NH1 ARG C 46 62.135 17.489 -8.466 1.00 0.00 N ATOM 707 NH2 ARG C 46 61.641 15.287 -8.322 1.00 0.00 N ATOM 0 H ARG C 46 61.243 12.387 -3.600 1.00 0.00 H new ATOM 0 HA ARG C 46 59.914 14.983 -3.505 1.00 0.00 H new ATOM 0 HB2 ARG C 46 61.895 13.378 -5.078 1.00 0.00 H new ATOM 0 HB3 ARG C 46 60.988 14.518 -6.052 1.00 0.00 H new ATOM 0 HG2 ARG C 46 61.870 15.700 -3.486 1.00 0.00 H new ATOM 0 HG3 ARG C 46 63.219 15.132 -4.449 1.00 0.00 H new ATOM 0 HD2 ARG C 46 60.988 16.871 -5.634 1.00 0.00 H new ATOM 0 HD3 ARG C 46 62.450 17.554 -4.951 1.00 0.00 H new ATOM 0 HE ARG C 46 63.757 16.011 -6.594 1.00 0.00 H new ATOM 0 HH11 ARG C 46 62.560 18.327 -8.069 1.00 0.00 H new ATOM 0 HH12 ARG C 46 61.670 17.534 -9.373 1.00 0.00 H new ATOM 0 HH21 ARG C 46 61.680 14.404 -7.813 1.00 0.00 H new ATOM 0 HH22 ARG C 46 61.176 15.333 -9.229 1.00 0.00 H new ATOM 721 N MET C 47 58.683 12.699 -5.505 1.00 0.00 N ATOM 722 CA MET C 47 57.475 12.412 -6.328 1.00 0.00 C ATOM 723 C MET C 47 56.236 12.323 -5.431 1.00 0.00 C ATOM 724 O MET C 47 55.156 12.732 -5.809 1.00 0.00 O ATOM 725 CB MET C 47 57.761 11.065 -6.994 1.00 0.00 C ATOM 726 CG MET C 47 58.404 11.301 -8.362 1.00 0.00 C ATOM 727 SD MET C 47 58.595 9.722 -9.229 1.00 0.00 S ATOM 728 CE MET C 47 59.089 8.729 -7.799 1.00 0.00 C ATOM 0 H MET C 47 59.342 11.926 -5.415 1.00 0.00 H new ATOM 0 HA MET C 47 57.277 13.192 -7.063 1.00 0.00 H new ATOM 0 HB2 MET C 47 58.424 10.470 -6.366 1.00 0.00 H new ATOM 0 HB3 MET C 47 56.836 10.499 -7.107 1.00 0.00 H new ATOM 0 HG2 MET C 47 57.787 11.978 -8.952 1.00 0.00 H new ATOM 0 HG3 MET C 47 59.376 11.779 -8.240 1.00 0.00 H new ATOM 0 HE1 MET C 47 59.244 7.696 -8.110 1.00 0.00 H new ATOM 0 HE2 MET C 47 60.015 9.126 -7.383 1.00 0.00 H new ATOM 0 HE3 MET C 47 58.306 8.767 -7.042 1.00 0.00 H new ATOM 738 N LEU C 48 56.383 11.800 -4.244 1.00 0.00 N ATOM 739 CA LEU C 48 55.211 11.696 -3.325 1.00 0.00 C ATOM 740 C LEU C 48 54.749 13.091 -2.904 1.00 0.00 C ATOM 741 O LEU C 48 53.653 13.270 -2.410 1.00 0.00 O ATOM 742 CB LEU C 48 55.723 10.924 -2.107 1.00 0.00 C ATOM 743 CG LEU C 48 56.259 9.562 -2.547 1.00 0.00 C ATOM 744 CD1 LEU C 48 56.637 8.742 -1.312 1.00 0.00 C ATOM 745 CD2 LEU C 48 55.182 8.821 -3.340 1.00 0.00 C ATOM 0 H LEU C 48 57.261 11.441 -3.870 1.00 0.00 H new ATOM 0 HA LEU C 48 54.363 11.200 -3.798 1.00 0.00 H new ATOM 0 HB2 LEU C 48 56.509 11.491 -1.609 1.00 0.00 H new ATOM 0 HB3 LEU C 48 54.918 10.792 -1.384 1.00 0.00 H new ATOM 0 HG LEU C 48 57.139 9.703 -3.175 1.00 0.00 H new ATOM 0 HD11 LEU C 48 57.020 7.770 -1.624 1.00 0.00 H new ATOM 0 HD12 LEU C 48 57.405 9.270 -0.746 1.00 0.00 H new ATOM 0 HD13 LEU C 48 55.756 8.601 -0.685 1.00 0.00 H new ATOM 0 HD21 LEU C 48 55.565 7.850 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU C 48 54.302 8.679 -2.713 1.00 0.00 H new ATOM 0 HD23 LEU C 48 54.911 9.405 -4.219 1.00 0.00 H new ATOM 757 N GLY C 49 55.579 14.081 -3.088 1.00 0.00 N ATOM 758 CA GLY C 49 55.191 15.461 -2.690 1.00 0.00 C ATOM 759 C GLY C 49 55.718 15.743 -1.282 1.00 0.00 C ATOM 760 O GLY C 49 55.151 16.519 -0.539 1.00 0.00 O ATOM 0 H GLY C 49 56.509 13.992 -3.497 1.00 0.00 H new ATOM 0 HA2 GLY C 49 55.599 16.185 -3.396 1.00 0.00 H new ATOM 0 HA3 GLY C 49 54.107 15.568 -2.714 1.00 0.00 H new ATOM 764 N GLN C 50 56.798 15.114 -0.910 1.00 0.00 N ATOM 765 CA GLN C 50 57.367 15.337 0.451 1.00 0.00 C ATOM 766 C GLN C 50 58.895 15.387 0.376 1.00 0.00 C ATOM 767 O GLN C 50 59.488 15.042 -0.628 1.00 0.00 O ATOM 768 CB GLN C 50 56.907 14.132 1.273 1.00 0.00 C ATOM 769 CG GLN C 50 55.717 14.532 2.150 1.00 0.00 C ATOM 770 CD GLN C 50 55.416 13.411 3.148 1.00 0.00 C ATOM 771 OE1 GLN C 50 55.216 12.277 2.763 1.00 0.00 O ATOM 772 NE2 GLN C 50 55.376 13.682 4.424 1.00 0.00 N ATOM 0 H GLN C 50 57.313 14.453 -1.491 1.00 0.00 H new ATOM 0 HA GLN C 50 57.038 16.278 0.892 1.00 0.00 H new ATOM 0 HB2 GLN C 50 56.625 13.314 0.611 1.00 0.00 H new ATOM 0 HB3 GLN C 50 57.725 13.770 1.896 1.00 0.00 H new ATOM 0 HG2 GLN C 50 55.939 15.457 2.682 1.00 0.00 H new ATOM 0 HG3 GLN C 50 54.842 14.724 1.529 1.00 0.00 H new ATOM 0 HE21 GLN C 50 55.544 14.634 4.749 1.00 0.00 H new ATOM 0 HE22 GLN C 50 55.177 12.942 5.097 1.00 0.00 H new ATOM 781 N ASN C 51 59.539 15.816 1.427 1.00 0.00 N ATOM 782 CA ASN C 51 61.028 15.887 1.403 1.00 0.00 C ATOM 783 C ASN C 51 61.593 15.735 2.819 1.00 0.00 C ATOM 784 O ASN C 51 61.781 16.710 3.519 1.00 0.00 O ATOM 785 CB ASN C 51 61.348 17.276 0.849 1.00 0.00 C ATOM 786 CG ASN C 51 61.572 17.186 -0.663 1.00 0.00 C ATOM 787 OD1 ASN C 51 60.656 16.906 -1.408 1.00 0.00 O ATOM 788 ND2 ASN C 51 62.761 17.417 -1.149 1.00 0.00 N ATOM 0 H ASN C 51 59.101 16.119 2.297 1.00 0.00 H new ATOM 0 HA ASN C 51 61.467 15.092 0.800 1.00 0.00 H new ATOM 0 HB2 ASN C 51 60.529 17.962 1.065 1.00 0.00 H new ATOM 0 HB3 ASN C 51 62.237 17.677 1.335 1.00 0.00 H new ATOM 0 HD21 ASN C 51 62.920 17.362 -2.155 1.00 0.00 H new ATOM 0 HD22 ASN C 51 63.531 17.652 -0.523 1.00 0.00 H new ATOM 795 N PRO C 52 61.852 14.511 3.191 1.00 0.00 N ATOM 796 CA PRO C 52 62.410 14.229 4.535 1.00 0.00 C ATOM 797 C PRO C 52 63.884 14.639 4.591 1.00 0.00 C ATOM 798 O PRO C 52 64.352 15.414 3.779 1.00 0.00 O ATOM 799 CB PRO C 52 62.253 12.718 4.680 1.00 0.00 C ATOM 800 CG PRO C 52 62.216 12.193 3.279 1.00 0.00 C ATOM 801 CD PRO C 52 61.655 13.287 2.406 1.00 0.00 C ATOM 0 HA PRO C 52 61.912 14.778 5.334 1.00 0.00 H new ATOM 0 HB2 PRO C 52 63.083 12.288 5.240 1.00 0.00 H new ATOM 0 HB3 PRO C 52 61.340 12.467 5.219 1.00 0.00 H new ATOM 0 HG2 PRO C 52 63.215 11.911 2.948 1.00 0.00 H new ATOM 0 HG3 PRO C 52 61.596 11.298 3.220 1.00 0.00 H new ATOM 0 HD2 PRO C 52 62.175 13.339 1.450 1.00 0.00 H new ATOM 0 HD3 PRO C 52 60.600 13.120 2.187 1.00 0.00 H new ATOM 809 N THR C 53 64.620 14.128 5.538 1.00 0.00 N ATOM 810 CA THR C 53 66.062 14.493 5.637 1.00 0.00 C ATOM 811 C THR C 53 66.934 13.269 5.349 1.00 0.00 C ATOM 812 O THR C 53 66.492 12.146 5.491 1.00 0.00 O ATOM 813 CB THR C 53 66.254 14.961 7.081 1.00 0.00 C ATOM 814 OG1 THR C 53 65.553 14.087 7.956 1.00 0.00 O ATOM 815 CG2 THR C 53 65.715 16.383 7.236 1.00 0.00 C ATOM 0 H THR C 53 64.287 13.475 6.247 1.00 0.00 H new ATOM 0 HA THR C 53 66.345 15.263 4.919 1.00 0.00 H new ATOM 0 HB THR C 53 67.315 14.951 7.329 1.00 0.00 H new ATOM 0 HG1 THR C 53 65.401 14.536 8.814 1.00 0.00 H new ATOM 0 HG21 THR C 53 65.853 16.714 8.265 1.00 0.00 H new ATOM 0 HG22 THR C 53 66.254 17.052 6.564 1.00 0.00 H new ATOM 0 HG23 THR C 53 64.653 16.399 6.989 1.00 0.00 H new ATOM 823 N PRO C 54 68.152 13.528 4.959 1.00 0.00 N ATOM 824 CA PRO C 54 69.098 12.430 4.653 1.00 0.00 C ATOM 825 C PRO C 54 69.522 11.732 5.947 1.00 0.00 C ATOM 826 O PRO C 54 70.003 10.617 5.936 1.00 0.00 O ATOM 827 CB PRO C 54 70.277 13.142 3.996 1.00 0.00 C ATOM 828 CG PRO C 54 70.212 14.546 4.507 1.00 0.00 C ATOM 829 CD PRO C 54 68.759 14.850 4.769 1.00 0.00 C ATOM 0 HA PRO C 54 68.675 11.656 4.013 1.00 0.00 H new ATOM 0 HB2 PRO C 54 71.222 12.668 4.261 1.00 0.00 H new ATOM 0 HB3 PRO C 54 70.200 13.113 2.909 1.00 0.00 H new ATOM 0 HG2 PRO C 54 70.799 14.653 5.419 1.00 0.00 H new ATOM 0 HG3 PRO C 54 70.627 15.242 3.778 1.00 0.00 H new ATOM 0 HD2 PRO C 54 68.635 15.478 5.652 1.00 0.00 H new ATOM 0 HD3 PRO C 54 68.305 15.382 3.933 1.00 0.00 H new ATOM 837 N GLU C 55 69.332 12.379 7.065 1.00 0.00 N ATOM 838 CA GLU C 55 69.709 11.751 8.363 1.00 0.00 C ATOM 839 C GLU C 55 68.641 10.734 8.766 1.00 0.00 C ATOM 840 O GLU C 55 68.935 9.693 9.319 1.00 0.00 O ATOM 841 CB GLU C 55 69.759 12.906 9.364 1.00 0.00 C ATOM 842 CG GLU C 55 71.077 12.854 10.139 1.00 0.00 C ATOM 843 CD GLU C 55 71.433 14.255 10.638 1.00 0.00 C ATOM 844 OE1 GLU C 55 71.004 14.600 11.727 1.00 0.00 O ATOM 845 OE2 GLU C 55 72.127 14.959 9.924 1.00 0.00 O ATOM 0 H GLU C 55 68.932 13.315 7.135 1.00 0.00 H new ATOM 0 HA GLU C 55 70.660 11.221 8.314 1.00 0.00 H new ATOM 0 HB2 GLU C 55 69.670 13.858 8.841 1.00 0.00 H new ATOM 0 HB3 GLU C 55 68.917 12.841 10.053 1.00 0.00 H new ATOM 0 HG2 GLU C 55 70.988 12.168 10.982 1.00 0.00 H new ATOM 0 HG3 GLU C 55 71.872 12.472 9.499 1.00 0.00 H new ATOM 852 N GLU C 56 67.401 11.027 8.484 1.00 0.00 N ATOM 853 CA GLU C 56 66.311 10.077 8.841 1.00 0.00 C ATOM 854 C GLU C 56 66.230 8.965 7.793 1.00 0.00 C ATOM 855 O GLU C 56 65.924 7.831 8.102 1.00 0.00 O ATOM 856 CB GLU C 56 65.034 10.918 8.837 1.00 0.00 C ATOM 857 CG GLU C 56 64.994 11.789 10.094 1.00 0.00 C ATOM 858 CD GLU C 56 63.558 12.246 10.354 1.00 0.00 C ATOM 859 OE1 GLU C 56 62.744 12.117 9.454 1.00 0.00 O ATOM 860 OE2 GLU C 56 63.296 12.716 11.449 1.00 0.00 O ATOM 0 H GLU C 56 67.096 11.884 8.022 1.00 0.00 H new ATOM 0 HA GLU C 56 66.474 9.597 9.806 1.00 0.00 H new ATOM 0 HB2 GLU C 56 65.001 11.545 7.946 1.00 0.00 H new ATOM 0 HB3 GLU C 56 64.159 10.269 8.803 1.00 0.00 H new ATOM 0 HG2 GLU C 56 65.369 11.228 10.950 1.00 0.00 H new ATOM 0 HG3 GLU C 56 65.645 12.654 9.970 1.00 0.00 H new ATOM 867 N LEU C 57 66.510 9.279 6.556 1.00 0.00 N ATOM 868 CA LEU C 57 66.456 8.231 5.496 1.00 0.00 C ATOM 869 C LEU C 57 67.263 7.011 5.941 1.00 0.00 C ATOM 870 O LEU C 57 66.734 5.927 6.096 1.00 0.00 O ATOM 871 CB LEU C 57 67.088 8.876 4.261 1.00 0.00 C ATOM 872 CG LEU C 57 65.993 9.487 3.386 1.00 0.00 C ATOM 873 CD1 LEU C 57 66.634 10.280 2.246 1.00 0.00 C ATOM 874 CD2 LEU C 57 65.122 8.371 2.803 1.00 0.00 C ATOM 0 H LEU C 57 66.772 10.211 6.235 1.00 0.00 H new ATOM 0 HA LEU C 57 65.440 7.892 5.294 1.00 0.00 H new ATOM 0 HB2 LEU C 57 67.798 9.646 4.563 1.00 0.00 H new ATOM 0 HB3 LEU C 57 67.647 8.131 3.695 1.00 0.00 H new ATOM 0 HG LEU C 57 65.376 10.152 3.990 1.00 0.00 H new ATOM 0 HD11 LEU C 57 65.854 10.716 1.622 1.00 0.00 H new ATOM 0 HD12 LEU C 57 67.254 11.075 2.660 1.00 0.00 H new ATOM 0 HD13 LEU C 57 67.252 9.615 1.643 1.00 0.00 H new ATOM 0 HD21 LEU C 57 64.341 8.807 2.179 1.00 0.00 H new ATOM 0 HD22 LEU C 57 65.739 7.705 2.200 1.00 0.00 H new ATOM 0 HD23 LEU C 57 64.664 7.805 3.614 1.00 0.00 H new ATOM 886 N GLN C 58 68.539 7.180 6.162 1.00 0.00 N ATOM 887 CA GLN C 58 69.369 6.029 6.614 1.00 0.00 C ATOM 888 C GLN C 58 68.693 5.354 7.807 1.00 0.00 C ATOM 889 O GLN C 58 68.784 4.158 7.995 1.00 0.00 O ATOM 890 CB GLN C 58 70.707 6.644 7.027 1.00 0.00 C ATOM 891 CG GLN C 58 71.817 5.602 6.874 1.00 0.00 C ATOM 892 CD GLN C 58 71.717 4.580 8.007 1.00 0.00 C ATOM 893 OE1 GLN C 58 71.681 4.942 9.166 1.00 0.00 O ATOM 894 NE2 GLN C 58 71.669 3.308 7.719 1.00 0.00 N ATOM 0 H GLN C 58 69.040 8.061 6.049 1.00 0.00 H new ATOM 0 HA GLN C 58 69.498 5.271 5.842 1.00 0.00 H new ATOM 0 HB2 GLN C 58 70.924 7.516 6.410 1.00 0.00 H new ATOM 0 HB3 GLN C 58 70.657 6.989 8.060 1.00 0.00 H new ATOM 0 HG2 GLN C 58 71.730 5.101 5.910 1.00 0.00 H new ATOM 0 HG3 GLN C 58 72.792 6.088 6.894 1.00 0.00 H new ATOM 0 HE21 GLN C 58 71.699 3.004 6.746 1.00 0.00 H new ATOM 0 HE22 GLN C 58 71.601 2.618 8.467 1.00 0.00 H new ATOM 903 N GLU C 59 68.004 6.119 8.609 1.00 0.00 N ATOM 904 CA GLU C 59 67.305 5.531 9.786 1.00 0.00 C ATOM 905 C GLU C 59 66.130 4.677 9.307 1.00 0.00 C ATOM 906 O GLU C 59 65.799 3.669 9.897 1.00 0.00 O ATOM 907 CB GLU C 59 66.807 6.730 10.593 1.00 0.00 C ATOM 908 CG GLU C 59 67.092 6.500 12.078 1.00 0.00 C ATOM 909 CD GLU C 59 67.828 7.713 12.651 1.00 0.00 C ATOM 910 OE1 GLU C 59 67.411 8.824 12.366 1.00 0.00 O ATOM 911 OE2 GLU C 59 68.797 7.511 13.364 1.00 0.00 O ATOM 0 H GLU C 59 67.895 7.127 8.499 1.00 0.00 H new ATOM 0 HA GLU C 59 67.952 4.888 10.382 1.00 0.00 H new ATOM 0 HB2 GLU C 59 67.301 7.640 10.254 1.00 0.00 H new ATOM 0 HB3 GLU C 59 65.738 6.870 10.434 1.00 0.00 H new ATOM 0 HG2 GLU C 59 66.159 6.340 12.618 1.00 0.00 H new ATOM 0 HG3 GLU C 59 67.694 5.601 12.209 1.00 0.00 H new ATOM 918 N MET C 60 65.503 5.072 8.232 1.00 0.00 N ATOM 919 CA MET C 60 64.356 4.282 7.704 1.00 0.00 C ATOM 920 C MET C 60 64.850 2.913 7.231 1.00 0.00 C ATOM 921 O MET C 60 64.153 1.923 7.326 1.00 0.00 O ATOM 922 CB MET C 60 63.820 5.100 6.527 1.00 0.00 C ATOM 923 CG MET C 60 63.010 6.284 7.056 1.00 0.00 C ATOM 924 SD MET C 60 61.242 5.915 6.921 1.00 0.00 S ATOM 925 CE MET C 60 61.203 5.648 5.132 1.00 0.00 C ATOM 0 H MET C 60 65.736 5.908 7.697 1.00 0.00 H new ATOM 0 HA MET C 60 63.586 4.105 8.455 1.00 0.00 H new ATOM 0 HB2 MET C 60 64.646 5.457 5.912 1.00 0.00 H new ATOM 0 HB3 MET C 60 63.195 4.474 5.890 1.00 0.00 H new ATOM 0 HG2 MET C 60 63.273 6.483 8.095 1.00 0.00 H new ATOM 0 HG3 MET C 60 63.249 7.184 6.489 1.00 0.00 H new ATOM 0 HE1 MET C 60 60.236 5.960 4.738 1.00 0.00 H new ATOM 0 HE2 MET C 60 61.993 6.232 4.660 1.00 0.00 H new ATOM 0 HE3 MET C 60 61.357 4.590 4.919 1.00 0.00 H new ATOM 935 N ILE C 61 66.051 2.854 6.725 1.00 0.00 N ATOM 936 CA ILE C 61 66.598 1.552 6.250 1.00 0.00 C ATOM 937 C ILE C 61 67.047 0.705 7.447 1.00 0.00 C ATOM 938 O ILE C 61 66.942 -0.504 7.438 1.00 0.00 O ATOM 939 CB ILE C 61 67.794 1.926 5.371 1.00 0.00 C ATOM 940 CG1 ILE C 61 67.294 2.390 4.001 1.00 0.00 C ATOM 941 CG2 ILE C 61 68.705 0.709 5.192 1.00 0.00 C ATOM 942 CD1 ILE C 61 67.066 3.902 4.025 1.00 0.00 C ATOM 0 H ILE C 61 66.678 3.652 6.620 1.00 0.00 H new ATOM 0 HA ILE C 61 65.862 0.963 5.703 1.00 0.00 H new ATOM 0 HB ILE C 61 68.354 2.730 5.849 1.00 0.00 H new ATOM 0 HG12 ILE C 61 68.022 2.134 3.231 1.00 0.00 H new ATOM 0 HG13 ILE C 61 66.367 1.876 3.747 1.00 0.00 H new ATOM 0 HG21 ILE C 61 69.555 0.980 4.566 1.00 0.00 H new ATOM 0 HG22 ILE C 61 69.063 0.376 6.166 1.00 0.00 H new ATOM 0 HG23 ILE C 61 68.146 -0.097 4.717 1.00 0.00 H new ATOM 0 HD11 ILE C 61 66.710 4.232 3.049 1.00 0.00 H new ATOM 0 HD12 ILE C 61 66.323 4.146 4.784 1.00 0.00 H new ATOM 0 HD13 ILE C 61 68.003 4.408 4.259 1.00 0.00 H new ATOM 954 N ASP C 62 67.548 1.335 8.475 1.00 0.00 N ATOM 955 CA ASP C 62 68.006 0.570 9.673 1.00 0.00 C ATOM 956 C ASP C 62 66.806 -0.021 10.419 1.00 0.00 C ATOM 957 O ASP C 62 66.907 -1.050 11.057 1.00 0.00 O ATOM 958 CB ASP C 62 68.721 1.603 10.546 1.00 0.00 C ATOM 959 CG ASP C 62 69.918 0.948 11.237 1.00 0.00 C ATOM 960 OD1 ASP C 62 69.706 -0.008 11.965 1.00 0.00 O ATOM 961 OD2 ASP C 62 71.025 1.414 11.026 1.00 0.00 O ATOM 0 H ASP C 62 67.660 2.347 8.538 1.00 0.00 H new ATOM 0 HA ASP C 62 68.655 -0.265 9.407 1.00 0.00 H new ATOM 0 HB2 ASP C 62 69.055 2.442 9.935 1.00 0.00 H new ATOM 0 HB3 ASP C 62 68.033 2.004 11.290 1.00 0.00 H new ATOM 966 N GLU C 63 65.677 0.625 10.350 1.00 0.00 N ATOM 967 CA GLU C 63 64.473 0.105 11.060 1.00 0.00 C ATOM 968 C GLU C 63 64.095 -1.285 10.536 1.00 0.00 C ATOM 969 O GLU C 63 63.710 -2.157 11.291 1.00 0.00 O ATOM 970 CB GLU C 63 63.368 1.115 10.748 1.00 0.00 C ATOM 971 CG GLU C 63 62.569 1.408 12.019 1.00 0.00 C ATOM 972 CD GLU C 63 61.235 2.057 11.643 1.00 0.00 C ATOM 973 OE1 GLU C 63 60.698 1.701 10.607 1.00 0.00 O ATOM 974 OE2 GLU C 63 60.775 2.897 12.397 1.00 0.00 O ATOM 0 H GLU C 63 65.534 1.492 9.832 1.00 0.00 H new ATOM 0 HA GLU C 63 64.643 -0.002 12.131 1.00 0.00 H new ATOM 0 HB2 GLU C 63 63.802 2.036 10.359 1.00 0.00 H new ATOM 0 HB3 GLU C 63 62.709 0.721 9.974 1.00 0.00 H new ATOM 0 HG2 GLU C 63 62.394 0.485 12.572 1.00 0.00 H new ATOM 0 HG3 GLU C 63 63.136 2.070 12.674 1.00 0.00 H new ATOM 981 N VAL C 64 64.198 -1.499 9.254 1.00 0.00 N ATOM 982 CA VAL C 64 63.839 -2.833 8.691 1.00 0.00 C ATOM 983 C VAL C 64 65.097 -3.573 8.229 1.00 0.00 C ATOM 984 O VAL C 64 65.043 -4.435 7.375 1.00 0.00 O ATOM 985 CB VAL C 64 62.927 -2.529 7.502 1.00 0.00 C ATOM 986 CG1 VAL C 64 61.645 -1.859 8.000 1.00 0.00 C ATOM 987 CG2 VAL C 64 63.650 -1.589 6.535 1.00 0.00 C ATOM 0 H VAL C 64 64.515 -0.810 8.572 1.00 0.00 H new ATOM 0 HA VAL C 64 63.351 -3.472 9.427 1.00 0.00 H new ATOM 0 HB VAL C 64 62.676 -3.458 6.989 1.00 0.00 H new ATOM 0 HG11 VAL C 64 60.995 -1.642 7.152 1.00 0.00 H new ATOM 0 HG12 VAL C 64 61.130 -2.527 8.691 1.00 0.00 H new ATOM 0 HG13 VAL C 64 61.895 -0.930 8.512 1.00 0.00 H new ATOM 0 HG21 VAL C 64 63.002 -1.371 5.686 1.00 0.00 H new ATOM 0 HG22 VAL C 64 63.900 -0.661 7.049 1.00 0.00 H new ATOM 0 HG23 VAL C 64 64.564 -2.065 6.180 1.00 0.00 H new ATOM 997 N ASP C 65 66.230 -3.245 8.787 1.00 0.00 N ATOM 998 CA ASP C 65 67.488 -3.934 8.377 1.00 0.00 C ATOM 999 C ASP C 65 68.002 -4.817 9.517 1.00 0.00 C ATOM 1000 O ASP C 65 68.213 -4.360 10.623 1.00 0.00 O ATOM 1001 CB ASP C 65 68.478 -2.807 8.081 1.00 0.00 C ATOM 1002 CG ASP C 65 69.843 -3.404 7.735 1.00 0.00 C ATOM 1003 OD1 ASP C 65 70.395 -4.098 8.574 1.00 0.00 O ATOM 1004 OD2 ASP C 65 70.315 -3.159 6.637 1.00 0.00 O ATOM 0 H ASP C 65 66.340 -2.531 9.508 1.00 0.00 H new ATOM 0 HA ASP C 65 67.342 -4.584 7.514 1.00 0.00 H new ATOM 0 HB2 ASP C 65 68.115 -2.198 7.253 1.00 0.00 H new ATOM 0 HB3 ASP C 65 68.566 -2.149 8.946 1.00 0.00 H new ATOM 1009 N GLU C 66 68.208 -6.078 9.255 1.00 0.00 N ATOM 1010 CA GLU C 66 68.711 -6.990 10.321 1.00 0.00 C ATOM 1011 C GLU C 66 69.951 -7.741 9.831 1.00 0.00 C ATOM 1012 O GLU C 66 70.255 -8.825 10.287 1.00 0.00 O ATOM 1013 CB GLU C 66 67.561 -7.963 10.590 1.00 0.00 C ATOM 1014 CG GLU C 66 67.293 -8.800 9.337 1.00 0.00 C ATOM 1015 CD GLU C 66 65.859 -9.329 9.374 1.00 0.00 C ATOM 1016 OE1 GLU C 66 65.653 -10.388 9.945 1.00 0.00 O ATOM 1017 OE2 GLU C 66 64.989 -8.666 8.834 1.00 0.00 O ATOM 0 H GLU C 66 68.050 -6.517 8.348 1.00 0.00 H new ATOM 0 HA GLU C 66 69.003 -6.451 11.222 1.00 0.00 H new ATOM 0 HB2 GLU C 66 67.810 -8.614 11.428 1.00 0.00 H new ATOM 0 HB3 GLU C 66 66.663 -7.412 10.871 1.00 0.00 H new ATOM 0 HG2 GLU C 66 67.446 -8.195 8.443 1.00 0.00 H new ATOM 0 HG3 GLU C 66 67.997 -9.630 9.284 1.00 0.00 H new ATOM 1024 N ASP C 67 70.671 -7.167 8.907 1.00 0.00 N ATOM 1025 CA ASP C 67 71.895 -7.837 8.387 1.00 0.00 C ATOM 1026 C ASP C 67 73.083 -6.877 8.456 1.00 0.00 C ATOM 1027 O ASP C 67 74.160 -7.166 7.973 1.00 0.00 O ATOM 1028 CB ASP C 67 71.572 -8.185 6.932 1.00 0.00 C ATOM 1029 CG ASP C 67 71.536 -6.904 6.096 1.00 0.00 C ATOM 1030 OD1 ASP C 67 71.513 -5.836 6.684 1.00 0.00 O ATOM 1031 OD2 ASP C 67 71.535 -7.014 4.881 1.00 0.00 O ATOM 0 H ASP C 67 70.463 -6.260 8.489 1.00 0.00 H new ATOM 0 HA ASP C 67 72.161 -8.722 8.966 1.00 0.00 H new ATOM 0 HB2 ASP C 67 72.322 -8.869 6.536 1.00 0.00 H new ATOM 0 HB3 ASP C 67 70.611 -8.697 6.874 1.00 0.00 H new ATOM 1036 N GLY C 68 72.892 -5.732 9.054 1.00 0.00 N ATOM 1037 CA GLY C 68 74.005 -4.748 9.156 1.00 0.00 C ATOM 1038 C GLY C 68 74.658 -4.573 7.784 1.00 0.00 C ATOM 1039 O GLY C 68 75.857 -4.697 7.636 1.00 0.00 O ATOM 0 H GLY C 68 72.012 -5.436 9.476 1.00 0.00 H new ATOM 0 HA2 GLY C 68 73.627 -3.791 9.515 1.00 0.00 H new ATOM 0 HA3 GLY C 68 74.743 -5.091 9.881 1.00 0.00 H new ATOM 1043 N SER C 69 73.877 -4.282 6.779 1.00 0.00 N ATOM 1044 CA SER C 69 74.454 -4.097 5.416 1.00 0.00 C ATOM 1045 C SER C 69 74.456 -2.613 5.044 1.00 0.00 C ATOM 1046 O SER C 69 75.363 -2.125 4.402 1.00 0.00 O ATOM 1047 CB SER C 69 73.533 -4.884 4.486 1.00 0.00 C ATOM 1048 OG SER C 69 72.360 -4.123 4.231 1.00 0.00 O ATOM 0 H SER C 69 72.866 -4.164 6.842 1.00 0.00 H new ATOM 0 HA SER C 69 75.486 -4.442 5.352 1.00 0.00 H new ATOM 0 HB2 SER C 69 74.046 -5.107 3.551 1.00 0.00 H new ATOM 0 HB3 SER C 69 73.269 -5.839 4.940 1.00 0.00 H new ATOM 0 HG SER C 69 71.667 -4.362 4.881 1.00 0.00 H new ATOM 1054 N GLY C 70 73.444 -1.891 5.445 1.00 0.00 N ATOM 1055 CA GLY C 70 73.388 -0.438 5.116 1.00 0.00 C ATOM 1056 C GLY C 70 72.413 -0.210 3.961 1.00 0.00 C ATOM 1057 O GLY C 70 71.981 0.898 3.712 1.00 0.00 O ATOM 0 H GLY C 70 72.655 -2.245 5.986 1.00 0.00 H new ATOM 0 HA2 GLY C 70 73.071 0.131 5.990 1.00 0.00 H new ATOM 0 HA3 GLY C 70 74.380 -0.078 4.844 1.00 0.00 H new ATOM 1061 N THR C 71 72.062 -1.249 3.253 1.00 0.00 N ATOM 1062 CA THR C 71 71.114 -1.087 2.114 1.00 0.00 C ATOM 1063 C THR C 71 69.863 -1.942 2.338 1.00 0.00 C ATOM 1064 O THR C 71 69.816 -2.767 3.229 1.00 0.00 O ATOM 1065 CB THR C 71 71.883 -1.572 0.884 1.00 0.00 C ATOM 1066 OG1 THR C 71 72.496 -2.821 1.175 1.00 0.00 O ATOM 1067 CG2 THR C 71 72.957 -0.548 0.514 1.00 0.00 C ATOM 0 H THR C 71 72.390 -2.201 3.414 1.00 0.00 H new ATOM 0 HA THR C 71 70.777 -0.056 2.003 1.00 0.00 H new ATOM 0 HB THR C 71 71.195 -1.690 0.047 1.00 0.00 H new ATOM 0 HG1 THR C 71 72.988 -3.135 0.388 1.00 0.00 H new ATOM 0 HG21 THR C 71 73.504 -0.895 -0.363 1.00 0.00 H new ATOM 0 HG22 THR C 71 72.486 0.409 0.292 1.00 0.00 H new ATOM 0 HG23 THR C 71 73.648 -0.428 1.349 1.00 0.00 H new ATOM 1075 N VAL C 72 68.852 -1.753 1.535 1.00 0.00 N ATOM 1076 CA VAL C 72 67.607 -2.556 1.702 1.00 0.00 C ATOM 1077 C VAL C 72 67.327 -3.366 0.432 1.00 0.00 C ATOM 1078 O VAL C 72 67.507 -2.890 -0.671 1.00 0.00 O ATOM 1079 CB VAL C 72 66.501 -1.528 1.942 1.00 0.00 C ATOM 1080 CG1 VAL C 72 65.134 -2.180 1.722 1.00 0.00 C ATOM 1081 CG2 VAL C 72 66.593 -1.009 3.379 1.00 0.00 C ATOM 0 H VAL C 72 68.834 -1.078 0.771 1.00 0.00 H new ATOM 0 HA VAL C 72 67.681 -3.270 2.522 1.00 0.00 H new ATOM 0 HB VAL C 72 66.621 -0.699 1.245 1.00 0.00 H new ATOM 0 HG11 VAL C 72 64.348 -1.444 1.894 1.00 0.00 H new ATOM 0 HG12 VAL C 72 65.068 -2.550 0.699 1.00 0.00 H new ATOM 0 HG13 VAL C 72 65.011 -3.011 2.417 1.00 0.00 H new ATOM 0 HG21 VAL C 72 65.805 -0.276 3.552 1.00 0.00 H new ATOM 0 HG22 VAL C 72 66.475 -1.840 4.074 1.00 0.00 H new ATOM 0 HG23 VAL C 72 67.565 -0.541 3.535 1.00 0.00 H new ATOM 1091 N ASP C 73 66.894 -4.586 0.580 1.00 0.00 N ATOM 1092 CA ASP C 73 66.607 -5.428 -0.617 1.00 0.00 C ATOM 1093 C ASP C 73 65.132 -5.829 -0.643 1.00 0.00 C ATOM 1094 O ASP C 73 64.380 -5.526 0.262 1.00 0.00 O ATOM 1095 CB ASP C 73 67.497 -6.659 -0.451 1.00 0.00 C ATOM 1096 CG ASP C 73 67.234 -7.296 0.914 1.00 0.00 C ATOM 1097 OD1 ASP C 73 66.106 -7.221 1.372 1.00 0.00 O ATOM 1098 OD2 ASP C 73 68.164 -7.848 1.478 1.00 0.00 O ATOM 0 H ASP C 73 66.726 -5.038 1.479 1.00 0.00 H new ATOM 0 HA ASP C 73 66.805 -4.902 -1.551 1.00 0.00 H new ATOM 0 HB2 ASP C 73 67.294 -7.378 -1.245 1.00 0.00 H new ATOM 0 HB3 ASP C 73 68.546 -6.377 -0.537 1.00 0.00 H new ATOM 1103 N PHE C 74 64.713 -6.514 -1.672 1.00 0.00 N ATOM 1104 CA PHE C 74 63.287 -6.940 -1.752 1.00 0.00 C ATOM 1105 C PHE C 74 62.834 -7.511 -0.405 1.00 0.00 C ATOM 1106 O PHE C 74 61.663 -7.520 -0.085 1.00 0.00 O ATOM 1107 CB PHE C 74 63.260 -8.024 -2.830 1.00 0.00 C ATOM 1108 CG PHE C 74 61.871 -8.130 -3.411 1.00 0.00 C ATOM 1109 CD1 PHE C 74 61.207 -6.979 -3.856 1.00 0.00 C ATOM 1110 CD2 PHE C 74 61.246 -9.379 -3.504 1.00 0.00 C ATOM 1111 CE1 PHE C 74 59.919 -7.079 -4.395 1.00 0.00 C ATOM 1112 CE2 PHE C 74 59.958 -9.478 -4.042 1.00 0.00 C ATOM 1113 CZ PHE C 74 59.294 -8.329 -4.487 1.00 0.00 C ATOM 0 H PHE C 74 65.296 -6.797 -2.460 1.00 0.00 H new ATOM 0 HA PHE C 74 62.618 -6.113 -1.989 1.00 0.00 H new ATOM 0 HB2 PHE C 74 63.976 -7.786 -3.616 1.00 0.00 H new ATOM 0 HB3 PHE C 74 63.560 -8.981 -2.404 1.00 0.00 H new ATOM 0 HD1 PHE C 74 61.689 -6.015 -3.783 1.00 0.00 H new ATOM 0 HD2 PHE C 74 61.758 -10.266 -3.161 1.00 0.00 H new ATOM 0 HE1 PHE C 74 59.407 -6.193 -4.740 1.00 0.00 H new ATOM 0 HE2 PHE C 74 59.476 -10.442 -4.114 1.00 0.00 H new ATOM 0 HZ PHE C 74 58.300 -8.406 -4.901 1.00 0.00 H new ATOM 1123 N ASP C 75 63.758 -7.987 0.386 1.00 0.00 N ATOM 1124 CA ASP C 75 63.385 -8.558 1.712 1.00 0.00 C ATOM 1125 C ASP C 75 63.103 -7.436 2.716 1.00 0.00 C ATOM 1126 O ASP C 75 62.000 -7.289 3.204 1.00 0.00 O ATOM 1127 CB ASP C 75 64.605 -9.370 2.147 1.00 0.00 C ATOM 1128 CG ASP C 75 64.204 -10.833 2.349 1.00 0.00 C ATOM 1129 OD1 ASP C 75 63.704 -11.425 1.408 1.00 0.00 O ATOM 1130 OD2 ASP C 75 64.405 -11.335 3.443 1.00 0.00 O ATOM 0 H ASP C 75 64.755 -8.005 0.171 1.00 0.00 H new ATOM 0 HA ASP C 75 62.483 -9.168 1.659 1.00 0.00 H new ATOM 0 HB2 ASP C 75 65.389 -9.298 1.393 1.00 0.00 H new ATOM 0 HB3 ASP C 75 65.014 -8.964 3.072 1.00 0.00 H new ATOM 1135 N GLU C 76 64.092 -6.643 3.029 1.00 0.00 N ATOM 1136 CA GLU C 76 63.883 -5.534 4.004 1.00 0.00 C ATOM 1137 C GLU C 76 62.826 -4.555 3.483 1.00 0.00 C ATOM 1138 O GLU C 76 62.250 -3.794 4.233 1.00 0.00 O ATOM 1139 CB GLU C 76 65.242 -4.844 4.114 1.00 0.00 C ATOM 1140 CG GLU C 76 66.250 -5.795 4.760 1.00 0.00 C ATOM 1141 CD GLU C 76 67.645 -5.173 4.708 1.00 0.00 C ATOM 1142 OE1 GLU C 76 67.852 -4.174 5.379 1.00 0.00 O ATOM 1143 OE2 GLU C 76 68.483 -5.703 3.998 1.00 0.00 O ATOM 0 H GLU C 76 65.037 -6.715 2.651 1.00 0.00 H new ATOM 0 HA GLU C 76 63.528 -5.897 4.968 1.00 0.00 H new ATOM 0 HB2 GLU C 76 65.591 -4.546 3.125 1.00 0.00 H new ATOM 0 HB3 GLU C 76 65.152 -3.935 4.708 1.00 0.00 H new ATOM 0 HG2 GLU C 76 65.967 -5.994 5.794 1.00 0.00 H new ATOM 0 HG3 GLU C 76 66.248 -6.753 4.239 1.00 0.00 H new ATOM 1150 N PHE C 77 62.569 -4.567 2.204 1.00 0.00 N ATOM 1151 CA PHE C 77 61.552 -3.634 1.640 1.00 0.00 C ATOM 1152 C PHE C 77 60.140 -4.091 2.021 1.00 0.00 C ATOM 1153 O PHE C 77 59.453 -3.441 2.784 1.00 0.00 O ATOM 1154 CB PHE C 77 61.743 -3.705 0.124 1.00 0.00 C ATOM 1155 CG PHE C 77 60.851 -2.686 -0.543 1.00 0.00 C ATOM 1156 CD1 PHE C 77 61.278 -1.358 -0.672 1.00 0.00 C ATOM 1157 CD2 PHE C 77 59.595 -3.066 -1.030 1.00 0.00 C ATOM 1158 CE1 PHE C 77 60.449 -0.413 -1.287 1.00 0.00 C ATOM 1159 CE2 PHE C 77 58.766 -2.122 -1.646 1.00 0.00 C ATOM 1160 CZ PHE C 77 59.193 -0.795 -1.775 1.00 0.00 C ATOM 0 H PHE C 77 63.018 -5.182 1.525 1.00 0.00 H new ATOM 0 HA PHE C 77 61.672 -2.620 2.021 1.00 0.00 H new ATOM 0 HB2 PHE C 77 62.785 -3.514 -0.131 1.00 0.00 H new ATOM 0 HB3 PHE C 77 61.504 -4.705 -0.237 1.00 0.00 H new ATOM 0 HD1 PHE C 77 62.247 -1.063 -0.297 1.00 0.00 H new ATOM 0 HD2 PHE C 77 59.265 -4.090 -0.930 1.00 0.00 H new ATOM 0 HE1 PHE C 77 60.778 0.611 -1.385 1.00 0.00 H new ATOM 0 HE2 PHE C 77 57.797 -2.417 -2.022 1.00 0.00 H new ATOM 0 HZ PHE C 77 58.554 -0.066 -2.251 1.00 0.00 H new ATOM 1170 N LEU C 78 59.704 -5.201 1.492 1.00 0.00 N ATOM 1171 CA LEU C 78 58.337 -5.703 1.816 1.00 0.00 C ATOM 1172 C LEU C 78 58.032 -5.511 3.305 1.00 0.00 C ATOM 1173 O LEU C 78 56.900 -5.305 3.694 1.00 0.00 O ATOM 1174 CB LEU C 78 58.368 -7.190 1.465 1.00 0.00 C ATOM 1175 CG LEU C 78 58.369 -7.355 -0.056 1.00 0.00 C ATOM 1176 CD1 LEU C 78 58.464 -8.839 -0.410 1.00 0.00 C ATOM 1177 CD2 LEU C 78 57.074 -6.775 -0.631 1.00 0.00 C ATOM 0 H LEU C 78 60.237 -5.784 0.847 1.00 0.00 H new ATOM 0 HA LEU C 78 57.564 -5.167 1.266 1.00 0.00 H new ATOM 0 HB2 LEU C 78 59.255 -7.657 1.893 1.00 0.00 H new ATOM 0 HB3 LEU C 78 57.503 -7.694 1.896 1.00 0.00 H new ATOM 0 HG LEU C 78 59.224 -6.827 -0.478 1.00 0.00 H new ATOM 0 HD11 LEU C 78 58.465 -8.955 -1.494 1.00 0.00 H new ATOM 0 HD12 LEU C 78 59.385 -9.253 -0.000 1.00 0.00 H new ATOM 0 HD13 LEU C 78 57.610 -9.369 0.011 1.00 0.00 H new ATOM 0 HD21 LEU C 78 57.073 -6.892 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU C 78 56.219 -7.303 -0.208 1.00 0.00 H new ATOM 0 HD23 LEU C 78 57.006 -5.716 -0.380 1.00 0.00 H new ATOM 1189 N VAL C 79 59.033 -5.578 4.141 1.00 0.00 N ATOM 1190 CA VAL C 79 58.797 -5.401 5.603 1.00 0.00 C ATOM 1191 C VAL C 79 58.412 -3.950 5.907 1.00 0.00 C ATOM 1192 O VAL C 79 57.494 -3.686 6.658 1.00 0.00 O ATOM 1193 CB VAL C 79 60.130 -5.751 6.264 1.00 0.00 C ATOM 1194 CG1 VAL C 79 60.054 -5.444 7.760 1.00 0.00 C ATOM 1195 CG2 VAL C 79 60.423 -7.240 6.064 1.00 0.00 C ATOM 0 H VAL C 79 60.003 -5.747 3.875 1.00 0.00 H new ATOM 0 HA VAL C 79 57.983 -6.028 5.968 1.00 0.00 H new ATOM 0 HB VAL C 79 60.926 -5.159 5.812 1.00 0.00 H new ATOM 0 HG11 VAL C 79 61.005 -5.694 8.231 1.00 0.00 H new ATOM 0 HG12 VAL C 79 59.845 -4.384 7.904 1.00 0.00 H new ATOM 0 HG13 VAL C 79 59.258 -6.035 8.213 1.00 0.00 H new ATOM 0 HG21 VAL C 79 61.374 -7.490 6.535 1.00 0.00 H new ATOM 0 HG22 VAL C 79 59.627 -7.831 6.516 1.00 0.00 H new ATOM 0 HG23 VAL C 79 60.477 -7.460 4.998 1.00 0.00 H new ATOM 1205 N MET C 80 59.109 -3.009 5.333 1.00 0.00 N ATOM 1206 CA MET C 80 58.785 -1.576 5.593 1.00 0.00 C ATOM 1207 C MET C 80 57.293 -1.314 5.363 1.00 0.00 C ATOM 1208 O MET C 80 56.676 -0.539 6.066 1.00 0.00 O ATOM 1209 CB MET C 80 59.628 -0.792 4.586 1.00 0.00 C ATOM 1210 CG MET C 80 60.396 0.314 5.314 1.00 0.00 C ATOM 1211 SD MET C 80 61.815 0.821 4.311 1.00 0.00 S ATOM 1212 CE MET C 80 60.877 1.483 2.912 1.00 0.00 C ATOM 0 H MET C 80 59.889 -3.169 4.695 1.00 0.00 H new ATOM 0 HA MET C 80 59.000 -1.286 6.622 1.00 0.00 H new ATOM 0 HB2 MET C 80 60.325 -1.461 4.080 1.00 0.00 H new ATOM 0 HB3 MET C 80 58.987 -0.359 3.818 1.00 0.00 H new ATOM 0 HG2 MET C 80 59.742 1.167 5.496 1.00 0.00 H new ATOM 0 HG3 MET C 80 60.733 -0.042 6.287 1.00 0.00 H new ATOM 0 HE1 MET C 80 61.529 2.105 2.298 1.00 0.00 H new ATOM 0 HE2 MET C 80 60.490 0.660 2.312 1.00 0.00 H new ATOM 0 HE3 MET C 80 60.046 2.084 3.283 1.00 0.00 H new ATOM 1222 N MET C 81 56.711 -1.947 4.381 1.00 0.00 N ATOM 1223 CA MET C 81 55.262 -1.726 4.106 1.00 0.00 C ATOM 1224 C MET C 81 54.400 -2.387 5.187 1.00 0.00 C ATOM 1225 O MET C 81 53.329 -1.914 5.514 1.00 0.00 O ATOM 1226 CB MET C 81 55.015 -2.384 2.748 1.00 0.00 C ATOM 1227 CG MET C 81 54.805 -1.301 1.688 1.00 0.00 C ATOM 1228 SD MET C 81 56.407 -0.610 1.206 1.00 0.00 S ATOM 1229 CE MET C 81 55.822 1.056 0.809 1.00 0.00 C ATOM 0 H MET C 81 57.176 -2.607 3.758 1.00 0.00 H new ATOM 0 HA MET C 81 55.002 -0.667 4.104 1.00 0.00 H new ATOM 0 HB2 MET C 81 55.863 -3.014 2.477 1.00 0.00 H new ATOM 0 HB3 MET C 81 54.140 -3.032 2.800 1.00 0.00 H new ATOM 0 HG2 MET C 81 54.302 -1.722 0.818 1.00 0.00 H new ATOM 0 HG3 MET C 81 54.160 -0.514 2.079 1.00 0.00 H new ATOM 0 HE1 MET C 81 56.662 1.668 0.482 1.00 0.00 H new ATOM 0 HE2 MET C 81 55.081 1.001 0.012 1.00 0.00 H new ATOM 0 HE3 MET C 81 55.370 1.504 1.694 1.00 0.00 H new ATOM 1239 N VAL C 82 54.853 -3.477 5.741 1.00 0.00 N ATOM 1240 CA VAL C 82 54.055 -4.165 6.797 1.00 0.00 C ATOM 1241 C VAL C 82 54.036 -3.331 8.081 1.00 0.00 C ATOM 1242 O VAL C 82 53.066 -3.319 8.812 1.00 0.00 O ATOM 1243 CB VAL C 82 54.772 -5.494 7.037 1.00 0.00 C ATOM 1244 CG1 VAL C 82 53.856 -6.438 7.817 1.00 0.00 C ATOM 1245 CG2 VAL C 82 55.131 -6.131 5.693 1.00 0.00 C ATOM 0 H VAL C 82 55.741 -3.922 5.509 1.00 0.00 H new ATOM 0 HA VAL C 82 53.017 -4.308 6.496 1.00 0.00 H new ATOM 0 HB VAL C 82 55.681 -5.315 7.610 1.00 0.00 H new ATOM 0 HG11 VAL C 82 54.369 -7.385 7.987 1.00 0.00 H new ATOM 0 HG12 VAL C 82 53.600 -5.987 8.776 1.00 0.00 H new ATOM 0 HG13 VAL C 82 52.945 -6.616 7.245 1.00 0.00 H new ATOM 0 HG21 VAL C 82 55.642 -7.078 5.864 1.00 0.00 H new ATOM 0 HG22 VAL C 82 54.221 -6.308 5.120 1.00 0.00 H new ATOM 0 HG23 VAL C 82 55.786 -5.461 5.136 1.00 0.00 H new ATOM 1255 N ARG C 83 55.106 -2.639 8.364 1.00 0.00 N ATOM 1256 CA ARG C 83 55.157 -1.812 9.604 1.00 0.00 C ATOM 1257 C ARG C 83 53.994 -0.817 9.640 1.00 0.00 C ATOM 1258 O ARG C 83 53.475 -0.493 10.689 1.00 0.00 O ATOM 1259 CB ARG C 83 56.494 -1.073 9.529 1.00 0.00 C ATOM 1260 CG ARG C 83 57.620 -2.006 9.976 1.00 0.00 C ATOM 1261 CD ARG C 83 58.678 -1.204 10.737 1.00 0.00 C ATOM 1262 NE ARG C 83 58.674 -1.772 12.113 1.00 0.00 N ATOM 1263 CZ ARG C 83 58.276 -1.042 13.119 1.00 0.00 C ATOM 1264 NH1 ARG C 83 57.001 -0.884 13.346 1.00 0.00 N ATOM 1265 NH2 ARG C 83 59.153 -0.470 13.897 1.00 0.00 N ATOM 0 H ARG C 83 55.948 -2.610 7.789 1.00 0.00 H new ATOM 0 HA ARG C 83 55.073 -2.420 10.505 1.00 0.00 H new ATOM 0 HB2 ARG C 83 56.675 -0.730 8.510 1.00 0.00 H new ATOM 0 HB3 ARG C 83 56.468 -0.187 10.164 1.00 0.00 H new ATOM 0 HG2 ARG C 83 57.221 -2.796 10.612 1.00 0.00 H new ATOM 0 HG3 ARG C 83 58.070 -2.491 9.110 1.00 0.00 H new ATOM 0 HD2 ARG C 83 59.659 -1.303 10.272 1.00 0.00 H new ATOM 0 HD3 ARG C 83 58.436 -0.141 10.748 1.00 0.00 H new ATOM 0 HE ARG C 83 58.982 -2.732 12.270 1.00 0.00 H new ATOM 0 HH11 ARG C 83 56.315 -1.331 12.737 1.00 0.00 H new ATOM 0 HH12 ARG C 83 56.690 -0.314 14.132 1.00 0.00 H new ATOM 0 HH21 ARG C 83 60.150 -0.593 13.719 1.00 0.00 H new ATOM 0 HH22 ARG C 83 58.842 0.101 14.683 1.00 0.00 H new ATOM 1279 N CYS C 84 53.582 -0.322 8.504 1.00 0.00 N ATOM 1280 CA CYS C 84 52.457 0.658 8.486 1.00 0.00 C ATOM 1281 C CYS C 84 51.193 0.020 7.903 1.00 0.00 C ATOM 1282 O CYS C 84 50.162 0.654 7.797 1.00 0.00 O ATOM 1283 CB CYS C 84 52.942 1.797 7.591 1.00 0.00 C ATOM 1284 SG CYS C 84 53.357 1.145 5.955 1.00 0.00 S ATOM 0 H CYS C 84 53.974 -0.552 7.591 1.00 0.00 H new ATOM 0 HA CYS C 84 52.199 1.002 9.488 1.00 0.00 H new ATOM 0 HB2 CYS C 84 52.169 2.560 7.504 1.00 0.00 H new ATOM 0 HB3 CYS C 84 53.814 2.276 8.035 1.00 0.00 H new ATOM 0 HG CYS C 84 53.148 -0.138 5.933 1.00 0.00 H new ATOM 1290 N MET C 85 51.259 -1.227 7.526 1.00 0.00 N ATOM 1291 CA MET C 85 50.054 -1.894 6.953 1.00 0.00 C ATOM 1292 C MET C 85 49.020 -2.155 8.052 1.00 0.00 C ATOM 1293 O MET C 85 48.868 -3.265 8.522 1.00 0.00 O ATOM 1294 CB MET C 85 50.564 -3.213 6.373 1.00 0.00 C ATOM 1295 CG MET C 85 50.926 -3.019 4.899 1.00 0.00 C ATOM 1296 SD MET C 85 49.613 -3.706 3.860 1.00 0.00 S ATOM 1297 CE MET C 85 49.628 -5.379 4.549 1.00 0.00 C ATOM 0 H MET C 85 52.092 -1.812 7.589 1.00 0.00 H new ATOM 0 HA MET C 85 49.566 -1.280 6.196 1.00 0.00 H new ATOM 0 HB2 MET C 85 51.436 -3.554 6.930 1.00 0.00 H new ATOM 0 HB3 MET C 85 49.801 -3.985 6.472 1.00 0.00 H new ATOM 0 HG2 MET C 85 51.059 -1.959 4.683 1.00 0.00 H new ATOM 0 HG3 MET C 85 51.874 -3.510 4.678 1.00 0.00 H new ATOM 0 HE1 MET C 85 49.329 -6.092 3.780 1.00 0.00 H new ATOM 0 HE2 MET C 85 50.632 -5.620 4.897 1.00 0.00 H new ATOM 0 HE3 MET C 85 48.931 -5.434 5.386 1.00 0.00 H new ATOM 1411 N SER I 3 53.937 6.358 3.963 1.00 0.00 N ATOM 1412 CA SER I 3 52.750 6.588 3.092 1.00 0.00 C ATOM 1413 C SER I 3 52.949 5.904 1.738 1.00 0.00 C ATOM 1414 O SER I 3 54.012 5.964 1.152 1.00 0.00 O ATOM 1415 CB SER I 3 52.675 8.104 2.917 1.00 0.00 C ATOM 1416 OG SER I 3 51.355 8.465 2.534 1.00 0.00 O ATOM 0 HA SER I 3 51.836 6.181 3.524 1.00 0.00 H new ATOM 0 HB2 SER I 3 52.946 8.603 3.847 1.00 0.00 H new ATOM 0 HB3 SER I 3 53.388 8.431 2.160 1.00 0.00 H new ATOM 0 HG SER I 3 50.998 7.792 1.917 1.00 0.00 H new ATOM 1422 N ALA I 4 51.934 5.257 1.236 1.00 0.00 N ATOM 1423 CA ALA I 4 52.063 4.572 -0.081 1.00 0.00 C ATOM 1424 C ALA I 4 50.869 4.915 -0.973 1.00 0.00 C ATOM 1425 O ALA I 4 51.000 5.077 -2.169 1.00 0.00 O ATOM 1426 CB ALA I 4 52.072 3.079 0.246 1.00 0.00 C ATOM 0 H ALA I 4 51.020 5.173 1.681 1.00 0.00 H new ATOM 0 HA ALA I 4 52.961 4.877 -0.618 1.00 0.00 H new ATOM 0 HB1 ALA I 4 52.165 2.505 -0.676 1.00 0.00 H new ATOM 0 HB2 ALA I 4 52.915 2.855 0.899 1.00 0.00 H new ATOM 0 HB3 ALA I 4 51.143 2.811 0.748 1.00 0.00 H new ATOM 1432 N ASP I 5 49.702 5.029 -0.398 1.00 0.00 N ATOM 1433 CA ASP I 5 48.500 5.365 -1.212 1.00 0.00 C ATOM 1434 C ASP I 5 48.831 6.487 -2.200 1.00 0.00 C ATOM 1435 O ASP I 5 48.359 6.501 -3.320 1.00 0.00 O ATOM 1436 CB ASP I 5 47.450 5.828 -0.200 1.00 0.00 C ATOM 1437 CG ASP I 5 48.085 6.802 0.796 1.00 0.00 C ATOM 1438 OD1 ASP I 5 49.220 7.191 0.579 1.00 0.00 O ATOM 1439 OD2 ASP I 5 47.422 7.144 1.762 1.00 0.00 O ATOM 0 H ASP I 5 49.530 4.904 0.600 1.00 0.00 H new ATOM 0 HA ASP I 5 48.148 4.518 -1.800 1.00 0.00 H new ATOM 0 HB2 ASP I 5 46.621 6.311 -0.717 1.00 0.00 H new ATOM 0 HB3 ASP I 5 47.038 4.969 0.329 1.00 0.00 H new ATOM 1444 N ALA I 6 49.641 7.425 -1.795 1.00 0.00 N ATOM 1445 CA ALA I 6 50.006 8.543 -2.712 1.00 0.00 C ATOM 1446 C ALA I 6 51.174 8.126 -3.607 1.00 0.00 C ATOM 1447 O ALA I 6 51.455 8.752 -4.610 1.00 0.00 O ATOM 1448 CB ALA I 6 50.419 9.692 -1.791 1.00 0.00 C ATOM 0 H ALA I 6 50.067 7.467 -0.869 1.00 0.00 H new ATOM 0 HA ALA I 6 49.184 8.825 -3.370 1.00 0.00 H new ATOM 0 HB1 ALA I 6 50.703 10.556 -2.392 1.00 0.00 H new ATOM 0 HB2 ALA I 6 49.583 9.959 -1.145 1.00 0.00 H new ATOM 0 HB3 ALA I 6 51.266 9.381 -1.179 1.00 0.00 H new ATOM 1454 N MET I 7 51.858 7.072 -3.254 1.00 0.00 N ATOM 1455 CA MET I 7 53.006 6.617 -4.088 1.00 0.00 C ATOM 1456 C MET I 7 52.493 5.910 -5.345 1.00 0.00 C ATOM 1457 O MET I 7 53.144 5.898 -6.369 1.00 0.00 O ATOM 1458 CB MET I 7 53.791 5.652 -3.196 1.00 0.00 C ATOM 1459 CG MET I 7 55.147 5.352 -3.839 1.00 0.00 C ATOM 1460 SD MET I 7 55.658 3.668 -3.419 1.00 0.00 S ATOM 1461 CE MET I 7 57.436 3.993 -3.322 1.00 0.00 C ATOM 0 H MET I 7 51.672 6.507 -2.425 1.00 0.00 H new ATOM 0 HA MET I 7 53.629 7.445 -4.426 1.00 0.00 H new ATOM 0 HB2 MET I 7 53.934 6.088 -2.207 1.00 0.00 H new ATOM 0 HB3 MET I 7 53.229 4.728 -3.059 1.00 0.00 H new ATOM 0 HG2 MET I 7 55.080 5.463 -4.921 1.00 0.00 H new ATOM 0 HG3 MET I 7 55.892 6.067 -3.490 1.00 0.00 H new ATOM 0 HE1 MET I 7 57.908 3.247 -2.683 1.00 0.00 H new ATOM 0 HE2 MET I 7 57.870 3.942 -4.321 1.00 0.00 H new ATOM 0 HE3 MET I 7 57.602 4.986 -2.904 1.00 0.00 H new ATOM 1471 N MET I 8 51.326 5.331 -5.278 1.00 0.00 N ATOM 1472 CA MET I 8 50.774 4.639 -6.478 1.00 0.00 C ATOM 1473 C MET I 8 50.562 5.651 -7.605 1.00 0.00 C ATOM 1474 O MET I 8 50.952 5.431 -8.736 1.00 0.00 O ATOM 1475 CB MET I 8 49.434 4.056 -6.022 1.00 0.00 C ATOM 1476 CG MET I 8 49.655 3.123 -4.829 1.00 0.00 C ATOM 1477 SD MET I 8 50.987 1.956 -5.207 1.00 0.00 S ATOM 1478 CE MET I 8 52.338 2.927 -4.499 1.00 0.00 C ATOM 0 H MET I 8 50.733 5.307 -4.449 1.00 0.00 H new ATOM 0 HA MET I 8 51.442 3.866 -6.858 1.00 0.00 H new ATOM 0 HB2 MET I 8 48.752 4.860 -5.745 1.00 0.00 H new ATOM 0 HB3 MET I 8 48.967 3.510 -6.841 1.00 0.00 H new ATOM 0 HG2 MET I 8 49.908 3.704 -3.942 1.00 0.00 H new ATOM 0 HG3 MET I 8 48.737 2.581 -4.603 1.00 0.00 H new ATOM 0 HE1 MET I 8 53.028 2.264 -3.977 1.00 0.00 H new ATOM 0 HE2 MET I 8 52.869 3.447 -5.296 1.00 0.00 H new ATOM 0 HE3 MET I 8 51.933 3.656 -3.797 1.00 0.00 H new ATOM 1488 N GLN I 9 49.950 6.765 -7.303 1.00 0.00 N ATOM 1489 CA GLN I 9 49.714 7.798 -8.352 1.00 0.00 C ATOM 1490 C GLN I 9 50.949 8.691 -8.497 1.00 0.00 C ATOM 1491 O GLN I 9 51.271 9.152 -9.574 1.00 0.00 O ATOM 1492 CB GLN I 9 48.523 8.613 -7.844 1.00 0.00 C ATOM 1493 CG GLN I 9 47.312 8.366 -8.746 1.00 0.00 C ATOM 1494 CD GLN I 9 46.093 8.036 -7.883 1.00 0.00 C ATOM 1495 OE1 GLN I 9 45.787 8.746 -6.945 1.00 0.00 O ATOM 1496 NE2 GLN I 9 45.377 6.981 -8.163 1.00 0.00 N ATOM 0 H GLN I 9 49.603 7.004 -6.374 1.00 0.00 H new ATOM 0 HA GLN I 9 49.520 7.358 -9.330 1.00 0.00 H new ATOM 0 HB2 GLN I 9 48.288 8.332 -6.817 1.00 0.00 H new ATOM 0 HB3 GLN I 9 48.772 9.674 -7.835 1.00 0.00 H new ATOM 0 HG2 GLN I 9 47.112 9.248 -9.354 1.00 0.00 H new ATOM 0 HG3 GLN I 9 47.518 7.545 -9.433 1.00 0.00 H new ATOM 0 HE21 GLN I 9 45.633 6.385 -8.950 1.00 0.00 H new ATOM 0 HE22 GLN I 9 44.561 6.753 -7.595 1.00 0.00 H new ATOM 1505 N ALA I 10 51.645 8.936 -7.420 1.00 0.00 N ATOM 1506 CA ALA I 10 52.861 9.796 -7.498 1.00 0.00 C ATOM 1507 C ALA I 10 53.904 9.143 -8.406 1.00 0.00 C ATOM 1508 O ALA I 10 54.495 9.784 -9.252 1.00 0.00 O ATOM 1509 CB ALA I 10 53.377 9.883 -6.061 1.00 0.00 C ATOM 0 H ALA I 10 51.425 8.578 -6.490 1.00 0.00 H new ATOM 0 HA ALA I 10 52.649 10.781 -7.912 1.00 0.00 H new ATOM 0 HB1 ALA I 10 54.274 10.501 -6.033 1.00 0.00 H new ATOM 0 HB2 ALA I 10 52.611 10.327 -5.425 1.00 0.00 H new ATOM 0 HB3 ALA I 10 53.614 8.883 -5.698 1.00 0.00 H new ATOM 1515 N LEU I 11 54.130 7.870 -8.238 1.00 0.00 N ATOM 1516 CA LEU I 11 55.131 7.167 -9.090 1.00 0.00 C ATOM 1517 C LEU I 11 54.755 5.687 -9.224 1.00 0.00 C ATOM 1518 O LEU I 11 53.593 5.334 -9.242 1.00 0.00 O ATOM 1519 CB LEU I 11 56.464 7.334 -8.358 1.00 0.00 C ATOM 1520 CG LEU I 11 56.367 6.729 -6.957 1.00 0.00 C ATOM 1521 CD1 LEU I 11 57.688 6.044 -6.605 1.00 0.00 C ATOM 1522 CD2 LEU I 11 56.087 7.841 -5.943 1.00 0.00 C ATOM 0 H LEU I 11 53.664 7.284 -7.546 1.00 0.00 H new ATOM 0 HA LEU I 11 55.179 7.571 -10.101 1.00 0.00 H new ATOM 0 HB2 LEU I 11 57.261 6.847 -8.920 1.00 0.00 H new ATOM 0 HB3 LEU I 11 56.722 8.391 -8.290 1.00 0.00 H new ATOM 0 HG LEU I 11 55.559 5.998 -6.931 1.00 0.00 H new ATOM 0 HD11 LEU I 11 57.619 5.613 -5.606 1.00 0.00 H new ATOM 0 HD12 LEU I 11 57.892 5.254 -7.328 1.00 0.00 H new ATOM 0 HD13 LEU I 11 58.495 6.776 -6.629 1.00 0.00 H new ATOM 0 HD21 LEU I 11 56.017 7.413 -4.943 1.00 0.00 H new ATOM 0 HD22 LEU I 11 56.897 8.570 -5.970 1.00 0.00 H new ATOM 0 HD23 LEU I 11 55.147 8.333 -6.193 1.00 0.00 H new ATOM 1534 N LEU I 12 55.725 4.819 -9.322 1.00 0.00 N ATOM 1535 CA LEU I 12 55.411 3.366 -9.459 1.00 0.00 C ATOM 1536 C LEU I 12 54.579 3.125 -10.720 1.00 0.00 C ATOM 1537 O LEU I 12 53.420 3.485 -10.790 1.00 0.00 O ATOM 1538 CB LEU I 12 54.606 3.010 -8.208 1.00 0.00 C ATOM 1539 CG LEU I 12 55.537 2.377 -7.176 1.00 0.00 C ATOM 1540 CD1 LEU I 12 56.365 3.470 -6.500 1.00 0.00 C ATOM 1541 CD2 LEU I 12 54.706 1.640 -6.121 1.00 0.00 C ATOM 0 H LEU I 12 56.718 5.051 -9.313 1.00 0.00 H new ATOM 0 HA LEU I 12 56.310 2.756 -9.548 1.00 0.00 H new ATOM 0 HB2 LEU I 12 54.139 3.904 -7.795 1.00 0.00 H new ATOM 0 HB3 LEU I 12 53.802 2.319 -8.462 1.00 0.00 H new ATOM 0 HG LEU I 12 56.202 1.670 -7.672 1.00 0.00 H new ATOM 0 HD11 LEU I 12 57.030 3.019 -5.763 1.00 0.00 H new ATOM 0 HD12 LEU I 12 56.957 3.995 -7.250 1.00 0.00 H new ATOM 0 HD13 LEU I 12 55.699 4.176 -6.004 1.00 0.00 H new ATOM 0 HD21 LEU I 12 55.371 1.188 -5.385 1.00 0.00 H new ATOM 0 HD22 LEU I 12 54.040 2.346 -5.624 1.00 0.00 H new ATOM 0 HD23 LEU I 12 54.115 0.861 -6.602 1.00 0.00 H new