USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 970 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 THR OG1 : rot 78:sc= 0.00242 USER MOD Set 1.2: A 36 THR OG1 : rot -150:sc= 0.00324 USER MOD Single : A 1 GLY N :NH3+ 134:sc= -2.3! (180deg=-5.58!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl -133:sc= -0.112 (180deg=-0.951) USER MOD Single : A 15 GLN : amide:sc= -2.27! K(o=-2.3!,f=-0.081) USER MOD Single : A 23 MET CE :methyl -158:sc= -0.0899 (180deg=-0.843) USER MOD Single : A 25 MET CE :methyl -178:sc= -0.764 (180deg=-0.781) USER MOD Single : A 26 LYS NZ :NH3+ -108:sc= 0.759 (180deg=-0.00726) USER MOD Single : A 33 CYS SG : rot 110:sc= -1.06 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0.41) USER MOD Single : A 41 ASN : amide:sc= -1.32! K(o=-1.3!,f=-0.031) USER MOD Single : A 43 GLN : amide:sc= -0.0241 K(o=-0.024,f=-1.8!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.68) USER MOD Single : A 51 HIS : no HE2:sc= -0.145 K(o=-0.15,f=-1.9!) USER MOD Single : A 53 LYS NZ :NH3+ -164:sc= -0.0342 (180deg=-0.384) USER MOD Single : A 55 GLN : amide:sc=-0.00884 K(o=-0.0088,f=-1.7!) USER MOD Single : A 56 HIS : no HD1:sc= 0.0194 K(o=0.019,f=-1.1) USER MOD Single : A 58 GLN : amide:sc= -4.22! K(o=-4.2!,f=-1.4) USER MOD Single : A 64 ASN : amide:sc= -0.614! C(o=-0.61!,f=-13!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 69 CYS SG : rot 180:sc= -1.75 USER MOD Single : A 71 GLN : amide:sc= -13.2! C(o=-13!,f=-8!) USER MOD Single : A 76 THR OG1 : rot 180:sc=-0.00562 USER MOD Single : A 83 SER OG : rot -73:sc= 1.06 USER MOD Single : A 84 ASN : amide:sc= -7.06! C(o=-7.1!,f=-8.2!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.258) USER MOD Single : A 92 GLN : amide:sc= -3.71 K(o=-3.7,f=-0.76) USER MOD Single : A 108 HIS : no HD1:sc= -0.0457 X(o=-0.046,f=-0.015) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -1.44 K(o=-1.4,f=-0.38) USER MOD Single : A 121 LYS NZ :NH3+ -168:sc=-0.00334 (180deg=-0.137) USER MOD Single : A 123 GLN : amide:sc= -1.66 K(o=-1.7,f=-3.2!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.185 -9.835 18.077 1.00 1.00 N ATOM 2 CA GLY A 1 -15.085 -8.757 19.103 1.00 1.00 C ATOM 3 C GLY A 1 -15.388 -7.409 18.456 1.00 1.00 C ATOM 4 O GLY A 1 -14.606 -6.465 18.572 1.00 1.00 O ATOM 0 H1 GLY A 1 -14.365 -10.469 18.159 1.00 1.00 H new ATOM 0 H2 GLY A 1 -16.059 -10.378 18.228 1.00 1.00 H new ATOM 0 H3 GLY A 1 -15.201 -9.410 17.128 1.00 1.00 H new ATOM 0 HA2 GLY A 1 -15.786 -8.948 19.916 1.00 1.00 H new ATOM 0 HA3 GLY A 1 -14.086 -8.747 19.539 1.00 1.00 H new ATOM 10 N PRO A 2 -16.503 -7.305 17.783 1.00 1.00 N ATOM 11 CA PRO A 2 -16.922 -6.041 17.100 1.00 1.00 C ATOM 12 C PRO A 2 -17.164 -4.906 18.097 1.00 1.00 C ATOM 13 O PRO A 2 -17.115 -3.730 17.734 1.00 1.00 O ATOM 14 CB PRO A 2 -18.215 -6.437 16.358 1.00 1.00 C ATOM 15 CG PRO A 2 -18.725 -7.646 17.077 1.00 1.00 C ATOM 16 CD PRO A 2 -17.489 -8.380 17.593 1.00 1.00 C ATOM 0 HA PRO A 2 -16.155 -5.656 16.428 1.00 1.00 H new ATOM 0 HB2 PRO A 2 -18.945 -5.628 16.380 1.00 1.00 H new ATOM 0 HB3 PRO A 2 -18.016 -6.657 15.309 1.00 1.00 H new ATOM 0 HG2 PRO A 2 -19.382 -7.363 17.899 1.00 1.00 H new ATOM 0 HG3 PRO A 2 -19.306 -8.282 16.409 1.00 1.00 H new ATOM 0 HD2 PRO A 2 -17.695 -8.905 18.526 1.00 1.00 H new ATOM 0 HD3 PRO A 2 -17.138 -9.125 16.879 1.00 1.00 H new ATOM 24 N LEU A 3 -17.417 -5.264 19.355 1.00 1.00 N ATOM 25 CA LEU A 3 -17.660 -4.268 20.404 1.00 1.00 C ATOM 26 C LEU A 3 -16.459 -4.175 21.338 1.00 1.00 C ATOM 27 O LEU A 3 -15.979 -5.186 21.852 1.00 1.00 O ATOM 28 CB LEU A 3 -18.901 -4.653 21.213 1.00 1.00 C ATOM 29 CG LEU A 3 -20.126 -4.745 20.291 1.00 1.00 C ATOM 30 CD1 LEU A 3 -21.336 -5.199 21.113 1.00 1.00 C ATOM 31 CD2 LEU A 3 -20.415 -3.371 19.656 1.00 1.00 C ATOM 0 H LEU A 3 -17.460 -6.232 19.674 1.00 1.00 H new ATOM 0 HA LEU A 3 -17.819 -3.300 19.929 1.00 1.00 H new ATOM 0 HB2 LEU A 3 -18.738 -5.609 21.710 1.00 1.00 H new ATOM 0 HB3 LEU A 3 -19.079 -3.914 21.994 1.00 1.00 H new ATOM 0 HG LEU A 3 -19.929 -5.464 19.496 1.00 1.00 H new ATOM 0 HD11 LEU A 3 -22.211 -5.267 20.466 1.00 1.00 H new ATOM 0 HD12 LEU A 3 -21.132 -6.176 21.551 1.00 1.00 H new ATOM 0 HD13 LEU A 3 -21.528 -4.478 21.907 1.00 1.00 H new ATOM 0 HD21 LEU A 3 -21.285 -3.447 19.004 1.00 1.00 H new ATOM 0 HD22 LEU A 3 -20.613 -2.642 20.441 1.00 1.00 H new ATOM 0 HD23 LEU A 3 -19.552 -3.051 19.073 1.00 1.00 H new ATOM 43 N GLY A 4 -15.979 -2.951 21.556 1.00 1.00 N ATOM 44 CA GLY A 4 -14.830 -2.724 22.435 1.00 1.00 C ATOM 45 C GLY A 4 -13.912 -1.653 21.856 1.00 1.00 C ATOM 46 O GLY A 4 -13.870 -1.446 20.644 1.00 1.00 O ATOM 0 H GLY A 4 -16.365 -2.104 21.139 1.00 1.00 H new ATOM 0 HA2 GLY A 4 -15.176 -2.418 23.422 1.00 1.00 H new ATOM 0 HA3 GLY A 4 -14.276 -3.654 22.565 1.00 1.00 H new ATOM 50 N SER A 5 -13.177 -0.974 22.733 1.00 1.00 N ATOM 51 CA SER A 5 -12.261 0.076 22.299 1.00 1.00 C ATOM 52 C SER A 5 -11.116 -0.516 21.484 1.00 1.00 C ATOM 53 O SER A 5 -10.604 -1.588 21.803 1.00 1.00 O ATOM 54 CB SER A 5 -11.694 0.805 23.517 1.00 1.00 C ATOM 55 OG SER A 5 -10.735 1.762 23.087 1.00 1.00 O ATOM 0 H SER A 5 -13.197 -1.131 23.741 1.00 1.00 H new ATOM 0 HA SER A 5 -12.812 0.779 21.675 1.00 1.00 H new ATOM 0 HB2 SER A 5 -12.496 1.298 24.066 1.00 1.00 H new ATOM 0 HB3 SER A 5 -11.232 0.092 24.200 1.00 1.00 H new ATOM 0 HG SER A 5 -10.371 2.233 23.866 1.00 1.00 H new ATOM 61 N MET A 6 -10.715 0.194 20.431 1.00 1.00 N ATOM 62 CA MET A 6 -9.623 -0.262 19.568 1.00 1.00 C ATOM 63 C MET A 6 -8.723 0.913 19.193 1.00 1.00 C ATOM 64 O MET A 6 -9.199 2.027 18.975 1.00 1.00 O ATOM 65 CB MET A 6 -10.196 -0.905 18.301 1.00 1.00 C ATOM 66 CG MET A 6 -9.059 -1.477 17.446 1.00 1.00 C ATOM 67 SD MET A 6 -9.743 -2.211 15.937 1.00 1.00 S ATOM 68 CE MET A 6 -10.576 -3.623 16.707 1.00 1.00 C ATOM 0 H MET A 6 -11.127 1.085 20.154 1.00 1.00 H new ATOM 0 HA MET A 6 -9.031 -1.001 20.108 1.00 1.00 H new ATOM 0 HB2 MET A 6 -10.895 -1.697 18.569 1.00 1.00 H new ATOM 0 HB3 MET A 6 -10.756 -0.166 17.729 1.00 1.00 H new ATOM 0 HG2 MET A 6 -8.351 -0.689 17.190 1.00 1.00 H new ATOM 0 HG3 MET A 6 -8.509 -2.229 18.011 1.00 1.00 H new ATOM 0 HE1 MET A 6 -10.343 -4.531 16.150 1.00 1.00 H new ATOM 0 HE2 MET A 6 -10.233 -3.731 17.736 1.00 1.00 H new ATOM 0 HE3 MET A 6 -11.653 -3.459 16.699 1.00 1.00 H new ATOM 78 N GLU A 7 -7.418 0.654 19.123 1.00 1.00 N ATOM 79 CA GLU A 7 -6.443 1.688 18.776 1.00 1.00 C ATOM 80 C GLU A 7 -5.380 1.115 17.830 1.00 1.00 C ATOM 81 O GLU A 7 -4.409 0.512 18.287 1.00 1.00 O ATOM 82 CB GLU A 7 -5.764 2.202 20.049 1.00 1.00 C ATOM 83 CG GLU A 7 -6.720 3.136 20.795 1.00 1.00 C ATOM 84 CD GLU A 7 -6.080 3.603 22.097 1.00 1.00 C ATOM 85 OE1 GLU A 7 -5.456 2.785 22.753 1.00 1.00 O ATOM 86 OE2 GLU A 7 -6.221 4.771 22.419 1.00 1.00 O ATOM 0 H GLU A 7 -7.011 -0.264 19.302 1.00 1.00 H new ATOM 0 HA GLU A 7 -6.960 2.508 18.279 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -5.484 1.365 20.688 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -4.845 2.731 19.796 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -6.963 3.996 20.171 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -7.657 2.619 21.005 1.00 1.00 H new ATOM 93 N PRO A 8 -5.539 1.274 16.534 1.00 1.00 N ATOM 94 CA PRO A 8 -4.562 0.740 15.544 1.00 1.00 C ATOM 95 C PRO A 8 -3.366 1.681 15.350 1.00 1.00 C ATOM 96 O PRO A 8 -3.448 2.869 15.656 1.00 1.00 O ATOM 97 CB PRO A 8 -5.401 0.625 14.266 1.00 1.00 C ATOM 98 CG PRO A 8 -6.414 1.728 14.367 1.00 1.00 C ATOM 99 CD PRO A 8 -6.653 1.973 15.868 1.00 1.00 C ATOM 0 HA PRO A 8 -4.116 -0.205 15.855 1.00 1.00 H new ATOM 0 HB2 PRO A 8 -4.782 0.738 13.376 1.00 1.00 H new ATOM 0 HB3 PRO A 8 -5.884 -0.350 14.197 1.00 1.00 H new ATOM 0 HG2 PRO A 8 -6.051 2.633 13.880 1.00 1.00 H new ATOM 0 HG3 PRO A 8 -7.342 1.448 13.868 1.00 1.00 H new ATOM 0 HD2 PRO A 8 -6.651 3.038 16.102 1.00 1.00 H new ATOM 0 HD3 PRO A 8 -7.618 1.578 16.187 1.00 1.00 H new ATOM 107 N PRO A 9 -2.265 1.167 14.856 1.00 1.00 N ATOM 108 CA PRO A 9 -1.029 1.979 14.624 1.00 1.00 C ATOM 109 C PRO A 9 -1.244 3.058 13.562 1.00 1.00 C ATOM 110 O PRO A 9 -0.645 4.133 13.624 1.00 1.00 O ATOM 111 CB PRO A 9 0.009 0.941 14.162 1.00 1.00 C ATOM 112 CG PRO A 9 -0.795 -0.200 13.626 1.00 1.00 C ATOM 113 CD PRO A 9 -2.076 -0.236 14.454 1.00 1.00 C ATOM 0 HA PRO A 9 -0.719 2.522 15.517 1.00 1.00 H new ATOM 0 HB2 PRO A 9 0.666 1.354 13.397 1.00 1.00 H new ATOM 0 HB3 PRO A 9 0.643 0.622 14.989 1.00 1.00 H new ATOM 0 HG2 PRO A 9 -1.018 -0.058 12.568 1.00 1.00 H new ATOM 0 HG3 PRO A 9 -0.247 -1.138 13.713 1.00 1.00 H new ATOM 0 HD2 PRO A 9 -2.920 -0.604 13.871 1.00 1.00 H new ATOM 0 HD3 PRO A 9 -1.976 -0.891 15.319 1.00 1.00 H new ATOM 121 N LEU A 10 -2.094 2.756 12.592 1.00 1.00 N ATOM 122 CA LEU A 10 -2.378 3.698 11.516 1.00 1.00 C ATOM 123 C LEU A 10 -2.818 5.046 12.104 1.00 1.00 C ATOM 124 O LEU A 10 -3.277 5.090 13.244 1.00 1.00 O ATOM 125 CB LEU A 10 -3.492 3.134 10.627 1.00 1.00 C ATOM 126 CG LEU A 10 -3.054 1.780 10.029 1.00 1.00 C ATOM 127 CD1 LEU A 10 -4.290 0.937 9.693 1.00 1.00 C ATOM 128 CD2 LEU A 10 -2.234 2.010 8.752 1.00 1.00 C ATOM 0 H LEU A 10 -2.598 1.871 12.526 1.00 1.00 H new ATOM 0 HA LEU A 10 -1.477 3.848 10.921 1.00 1.00 H new ATOM 0 HB2 LEU A 10 -4.404 3.006 11.210 1.00 1.00 H new ATOM 0 HB3 LEU A 10 -3.721 3.837 9.827 1.00 1.00 H new ATOM 0 HG LEU A 10 -2.441 1.254 10.761 1.00 1.00 H new ATOM 0 HD11 LEU A 10 -3.976 -0.018 9.271 1.00 1.00 H new ATOM 0 HD12 LEU A 10 -4.867 0.760 10.600 1.00 1.00 H new ATOM 0 HD13 LEU A 10 -4.907 1.468 8.968 1.00 1.00 H new ATOM 0 HD21 LEU A 10 -1.929 1.049 8.337 1.00 1.00 H new ATOM 0 HD22 LEU A 10 -2.841 2.545 8.021 1.00 1.00 H new ATOM 0 HD23 LEU A 10 -1.349 2.600 8.989 1.00 1.00 H new ATOM 140 N PRO A 11 -2.706 6.144 11.375 1.00 1.00 N ATOM 141 CA PRO A 11 -3.134 7.473 11.908 1.00 1.00 C ATOM 142 C PRO A 11 -4.616 7.483 12.275 1.00 1.00 C ATOM 143 O PRO A 11 -5.441 6.866 11.602 1.00 1.00 O ATOM 144 CB PRO A 11 -2.839 8.461 10.763 1.00 1.00 C ATOM 145 CG PRO A 11 -1.865 7.756 9.880 1.00 1.00 C ATOM 146 CD PRO A 11 -2.176 6.264 10.003 1.00 1.00 C ATOM 0 HA PRO A 11 -2.607 7.731 12.827 1.00 1.00 H new ATOM 0 HB2 PRO A 11 -3.749 8.718 10.220 1.00 1.00 H new ATOM 0 HB3 PRO A 11 -2.422 9.393 11.145 1.00 1.00 H new ATOM 0 HG2 PRO A 11 -1.964 8.090 8.847 1.00 1.00 H new ATOM 0 HG3 PRO A 11 -0.840 7.966 10.186 1.00 1.00 H new ATOM 0 HD2 PRO A 11 -2.905 5.942 9.260 1.00 1.00 H new ATOM 0 HD3 PRO A 11 -1.284 5.653 9.861 1.00 1.00 H new ATOM 154 N VAL A 12 -4.938 8.186 13.349 1.00 1.00 N ATOM 155 CA VAL A 12 -6.322 8.277 13.809 1.00 1.00 C ATOM 156 C VAL A 12 -7.186 9.035 12.802 1.00 1.00 C ATOM 157 O VAL A 12 -8.298 8.614 12.483 1.00 1.00 O ATOM 158 CB VAL A 12 -6.366 8.980 15.170 1.00 1.00 C ATOM 159 CG1 VAL A 12 -7.820 9.232 15.578 1.00 1.00 C ATOM 160 CG2 VAL A 12 -5.694 8.092 16.220 1.00 1.00 C ATOM 0 H VAL A 12 -4.267 8.701 13.919 1.00 1.00 H new ATOM 0 HA VAL A 12 -6.721 7.267 13.906 1.00 1.00 H new ATOM 0 HB VAL A 12 -5.841 9.933 15.100 1.00 1.00 H new ATOM 0 HG11 VAL A 12 -7.845 9.732 16.546 1.00 1.00 H new ATOM 0 HG12 VAL A 12 -8.303 9.862 14.832 1.00 1.00 H new ATOM 0 HG13 VAL A 12 -8.349 8.281 15.647 1.00 1.00 H new ATOM 0 HG21 VAL A 12 -5.723 8.589 17.190 1.00 1.00 H new ATOM 0 HG22 VAL A 12 -6.222 7.141 16.284 1.00 1.00 H new ATOM 0 HG23 VAL A 12 -4.657 7.913 15.935 1.00 1.00 H new ATOM 170 N GLY A 13 -6.669 10.154 12.312 1.00 1.00 N ATOM 171 CA GLY A 13 -7.401 10.969 11.348 1.00 1.00 C ATOM 172 C GLY A 13 -7.631 10.209 10.046 1.00 1.00 C ATOM 173 O GLY A 13 -8.622 10.431 9.353 1.00 1.00 O ATOM 0 H GLY A 13 -5.750 10.518 12.564 1.00 1.00 H new ATOM 0 HA2 GLY A 13 -8.360 11.266 11.773 1.00 1.00 H new ATOM 0 HA3 GLY A 13 -6.845 11.884 11.145 1.00 1.00 H new ATOM 177 N ALA A 14 -6.702 9.322 9.714 1.00 1.00 N ATOM 178 CA ALA A 14 -6.808 8.545 8.484 1.00 1.00 C ATOM 179 C ALA A 14 -7.997 7.594 8.535 1.00 1.00 C ATOM 180 O ALA A 14 -8.295 7.006 9.573 1.00 1.00 O ATOM 181 CB ALA A 14 -5.523 7.743 8.265 1.00 1.00 C ATOM 0 H ALA A 14 -5.873 9.123 10.273 1.00 1.00 H new ATOM 0 HA ALA A 14 -6.957 9.239 7.657 1.00 1.00 H new ATOM 0 HB1 ALA A 14 -5.607 7.164 7.345 1.00 1.00 H new ATOM 0 HB2 ALA A 14 -4.677 8.426 8.188 1.00 1.00 H new ATOM 0 HB3 ALA A 14 -5.368 7.067 9.106 1.00 1.00 H new ATOM 187 N GLN A 15 -8.664 7.441 7.391 1.00 1.00 N ATOM 188 CA GLN A 15 -9.818 6.547 7.277 1.00 1.00 C ATOM 189 C GLN A 15 -9.393 5.276 6.540 1.00 1.00 C ATOM 190 O GLN A 15 -9.630 5.163 5.341 1.00 1.00 O ATOM 191 CB GLN A 15 -10.924 7.235 6.468 1.00 1.00 C ATOM 192 CG GLN A 15 -11.292 8.578 7.118 1.00 1.00 C ATOM 193 CD GLN A 15 -12.274 8.360 8.268 1.00 1.00 C ATOM 194 OE1 GLN A 15 -12.862 9.315 8.773 1.00 1.00 O ATOM 195 NE2 GLN A 15 -12.481 7.151 8.715 1.00 1.00 N ATOM 0 H GLN A 15 -8.424 7.926 6.527 1.00 1.00 H new ATOM 0 HA GLN A 15 -10.187 6.303 8.273 1.00 1.00 H new ATOM 0 HB2 GLN A 15 -10.589 7.397 5.443 1.00 1.00 H new ATOM 0 HB3 GLN A 15 -11.803 6.592 6.418 1.00 1.00 H new ATOM 0 HG2 GLN A 15 -10.392 9.069 7.488 1.00 1.00 H new ATOM 0 HG3 GLN A 15 -11.734 9.241 6.374 1.00 1.00 H new ATOM 0 HE21 GLN A 15 -11.992 6.361 8.294 1.00 1.00 H new ATOM 0 HE22 GLN A 15 -13.132 6.996 9.485 1.00 1.00 H new ATOM 204 N PRO A 16 -8.753 4.338 7.201 1.00 1.00 N ATOM 205 CA PRO A 16 -8.266 3.089 6.531 1.00 1.00 C ATOM 206 C PRO A 16 -9.394 2.269 5.910 1.00 1.00 C ATOM 207 O PRO A 16 -10.075 1.506 6.594 1.00 1.00 O ATOM 208 CB PRO A 16 -7.552 2.320 7.660 1.00 1.00 C ATOM 209 CG PRO A 16 -8.138 2.862 8.920 1.00 1.00 C ATOM 210 CD PRO A 16 -8.423 4.334 8.641 1.00 1.00 C ATOM 0 HA PRO A 16 -7.611 3.310 5.688 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -7.720 1.246 7.575 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -6.474 2.477 7.625 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -9.051 2.330 9.188 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -7.446 2.748 9.755 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -9.249 4.707 9.246 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -7.559 4.961 8.859 1.00 1.00 H new ATOM 218 N LEU A 17 -9.569 2.427 4.600 1.00 1.00 N ATOM 219 CA LEU A 17 -10.601 1.691 3.878 1.00 1.00 C ATOM 220 C LEU A 17 -10.295 0.205 3.919 1.00 1.00 C ATOM 221 O LEU A 17 -11.179 -0.627 4.133 1.00 1.00 O ATOM 222 CB LEU A 17 -10.635 2.135 2.415 1.00 1.00 C ATOM 223 CG LEU A 17 -10.994 3.617 2.319 1.00 1.00 C ATOM 224 CD1 LEU A 17 -10.931 4.050 0.850 1.00 1.00 C ATOM 225 CD2 LEU A 17 -12.409 3.863 2.875 1.00 1.00 C ATOM 0 H LEU A 17 -9.012 3.055 4.020 1.00 1.00 H new ATOM 0 HA LEU A 17 -11.563 1.891 4.350 1.00 1.00 H new ATOM 0 HB2 LEU A 17 -9.664 1.958 1.952 1.00 1.00 H new ATOM 0 HB3 LEU A 17 -11.364 1.541 1.864 1.00 1.00 H new ATOM 0 HG LEU A 17 -10.285 4.199 2.908 1.00 1.00 H new ATOM 0 HD11 LEU A 17 -11.186 5.107 0.771 1.00 1.00 H new ATOM 0 HD12 LEU A 17 -9.923 3.890 0.466 1.00 1.00 H new ATOM 0 HD13 LEU A 17 -11.639 3.461 0.267 1.00 1.00 H new ATOM 0 HD21 LEU A 17 -12.650 4.923 2.800 1.00 1.00 H new ATOM 0 HD22 LEU A 17 -13.132 3.285 2.299 1.00 1.00 H new ATOM 0 HD23 LEU A 17 -12.448 3.555 3.920 1.00 1.00 H new ATOM 237 N ALA A 18 -9.025 -0.118 3.702 1.00 1.00 N ATOM 238 CA ALA A 18 -8.578 -1.511 3.702 1.00 1.00 C ATOM 239 C ALA A 18 -7.140 -1.605 4.190 1.00 1.00 C ATOM 240 O ALA A 18 -6.353 -0.681 3.994 1.00 1.00 O ATOM 241 CB ALA A 18 -8.677 -2.084 2.285 1.00 1.00 C ATOM 0 H ALA A 18 -8.286 0.562 3.524 1.00 1.00 H new ATOM 0 HA ALA A 18 -9.217 -2.085 4.374 1.00 1.00 H new ATOM 0 HB1 ALA A 18 -8.343 -3.122 2.288 1.00 1.00 H new ATOM 0 HB2 ALA A 18 -9.711 -2.036 1.945 1.00 1.00 H new ATOM 0 HB3 ALA A 18 -8.047 -1.502 1.612 1.00 1.00 H new ATOM 247 N THR A 19 -6.798 -2.728 4.823 1.00 1.00 N ATOM 248 CA THR A 19 -5.440 -2.934 5.339 1.00 1.00 C ATOM 249 C THR A 19 -4.953 -4.340 5.022 1.00 1.00 C ATOM 250 O THR A 19 -5.710 -5.305 5.119 1.00 1.00 O ATOM 251 CB THR A 19 -5.410 -2.704 6.852 1.00 1.00 C ATOM 252 OG1 THR A 19 -4.153 -3.120 7.366 1.00 1.00 O ATOM 253 CG2 THR A 19 -6.529 -3.503 7.521 1.00 1.00 C ATOM 0 H THR A 19 -7.436 -3.506 4.991 1.00 1.00 H new ATOM 0 HA THR A 19 -4.777 -2.217 4.854 1.00 1.00 H new ATOM 0 HB THR A 19 -5.557 -1.644 7.060 1.00 1.00 H new ATOM 0 HG1 THR A 19 -3.478 -2.436 7.173 1.00 1.00 H new ATOM 0 HG21 THR A 19 -6.502 -3.335 8.598 1.00 1.00 H new ATOM 0 HG22 THR A 19 -7.493 -3.180 7.127 1.00 1.00 H new ATOM 0 HG23 THR A 19 -6.391 -4.565 7.316 1.00 1.00 H new ATOM 261 N VAL A 20 -3.684 -4.449 4.625 1.00 1.00 N ATOM 262 CA VAL A 20 -3.109 -5.747 4.279 1.00 1.00 C ATOM 263 C VAL A 20 -1.659 -5.841 4.730 1.00 1.00 C ATOM 264 O VAL A 20 -0.943 -4.842 4.773 1.00 1.00 O ATOM 265 CB VAL A 20 -3.173 -5.951 2.762 1.00 1.00 C ATOM 266 CG1 VAL A 20 -2.586 -4.723 2.059 1.00 1.00 C ATOM 267 CG2 VAL A 20 -2.384 -7.215 2.361 1.00 1.00 C ATOM 0 H VAL A 20 -3.041 -3.662 4.536 1.00 1.00 H new ATOM 0 HA VAL A 20 -3.686 -6.519 4.788 1.00 1.00 H new ATOM 0 HB VAL A 20 -4.213 -6.079 2.461 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -2.630 -4.866 0.979 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -3.161 -3.838 2.332 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -1.548 -4.590 2.365 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -2.437 -7.349 1.281 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -1.342 -7.105 2.662 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -2.815 -8.085 2.856 1.00 1.00 H new ATOM 277 N GLU A 21 -1.220 -7.063 5.031 1.00 1.00 N ATOM 278 CA GLU A 21 0.161 -7.299 5.435 1.00 1.00 C ATOM 279 C GLU A 21 0.908 -7.949 4.280 1.00 1.00 C ATOM 280 O GLU A 21 0.521 -9.014 3.802 1.00 1.00 O ATOM 281 CB GLU A 21 0.206 -8.219 6.657 1.00 1.00 C ATOM 282 CG GLU A 21 -0.380 -7.486 7.864 1.00 1.00 C ATOM 283 CD GLU A 21 -0.403 -8.409 9.074 1.00 1.00 C ATOM 284 OE1 GLU A 21 0.049 -9.536 8.944 1.00 1.00 O ATOM 285 OE2 GLU A 21 -0.870 -7.978 10.116 1.00 1.00 O ATOM 0 H GLU A 21 -1.801 -7.901 5.002 1.00 1.00 H new ATOM 0 HA GLU A 21 0.629 -6.349 5.695 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -0.359 -9.130 6.461 1.00 1.00 H new ATOM 0 HB3 GLU A 21 1.233 -8.519 6.863 1.00 1.00 H new ATOM 0 HG2 GLU A 21 0.214 -6.599 8.084 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -1.390 -7.145 7.637 1.00 1.00 H new ATOM 292 N GLY A 22 1.974 -7.296 3.825 1.00 1.00 N ATOM 293 CA GLY A 22 2.770 -7.808 2.708 1.00 1.00 C ATOM 294 C GLY A 22 4.249 -7.821 3.059 1.00 1.00 C ATOM 295 O GLY A 22 4.630 -7.574 4.201 1.00 1.00 O ATOM 0 H GLY A 22 2.308 -6.413 4.210 1.00 1.00 H new ATOM 0 HA2 GLY A 22 2.443 -8.817 2.455 1.00 1.00 H new ATOM 0 HA3 GLY A 22 2.607 -7.189 1.826 1.00 1.00 H new ATOM 299 N MET A 23 5.083 -8.124 2.067 1.00 1.00 N ATOM 300 CA MET A 23 6.528 -8.181 2.268 1.00 1.00 C ATOM 301 C MET A 23 7.224 -7.182 1.351 1.00 1.00 C ATOM 302 O MET A 23 7.005 -7.177 0.139 1.00 1.00 O ATOM 303 CB MET A 23 7.019 -9.595 1.959 1.00 1.00 C ATOM 304 CG MET A 23 6.176 -10.606 2.745 1.00 1.00 C ATOM 305 SD MET A 23 6.339 -10.300 4.522 1.00 1.00 S ATOM 306 CE MET A 23 8.039 -10.889 4.713 1.00 1.00 C ATOM 0 H MET A 23 4.782 -8.334 1.115 1.00 1.00 H new ATOM 0 HA MET A 23 6.761 -7.928 3.302 1.00 1.00 H new ATOM 0 HB2 MET A 23 6.943 -9.793 0.890 1.00 1.00 H new ATOM 0 HB3 MET A 23 8.071 -9.694 2.227 1.00 1.00 H new ATOM 0 HG2 MET A 23 5.130 -10.528 2.449 1.00 1.00 H new ATOM 0 HG3 MET A 23 6.499 -11.621 2.511 1.00 1.00 H new ATOM 0 HE1 MET A 23 8.216 -11.158 5.754 1.00 1.00 H new ATOM 0 HE2 MET A 23 8.194 -11.763 4.081 1.00 1.00 H new ATOM 0 HE3 MET A 23 8.732 -10.101 4.419 1.00 1.00 H new ATOM 316 N GLU A 24 8.066 -6.335 1.934 1.00 1.00 N ATOM 317 CA GLU A 24 8.795 -5.330 1.165 1.00 1.00 C ATOM 318 C GLU A 24 10.130 -5.890 0.690 1.00 1.00 C ATOM 319 O GLU A 24 10.971 -6.277 1.499 1.00 1.00 O ATOM 320 CB GLU A 24 9.030 -4.092 2.037 1.00 1.00 C ATOM 321 CG GLU A 24 9.750 -3.010 1.232 1.00 1.00 C ATOM 322 CD GLU A 24 9.910 -1.754 2.083 1.00 1.00 C ATOM 323 OE1 GLU A 24 9.684 -1.842 3.280 1.00 1.00 O ATOM 324 OE2 GLU A 24 10.250 -0.723 1.527 1.00 1.00 O ATOM 0 H GLU A 24 8.261 -6.324 2.935 1.00 1.00 H new ATOM 0 HA GLU A 24 8.204 -5.054 0.292 1.00 1.00 H new ATOM 0 HB2 GLU A 24 8.077 -3.710 2.403 1.00 1.00 H new ATOM 0 HB3 GLU A 24 9.623 -4.361 2.911 1.00 1.00 H new ATOM 0 HG2 GLU A 24 10.728 -3.371 0.913 1.00 1.00 H new ATOM 0 HG3 GLU A 24 9.185 -2.779 0.329 1.00 1.00 H new ATOM 331 N MET A 25 10.323 -5.932 -0.628 1.00 1.00 N ATOM 332 CA MET A 25 11.567 -6.452 -1.205 1.00 1.00 C ATOM 333 C MET A 25 12.374 -5.320 -1.833 1.00 1.00 C ATOM 334 O MET A 25 11.829 -4.466 -2.530 1.00 1.00 O ATOM 335 CB MET A 25 11.255 -7.512 -2.275 1.00 1.00 C ATOM 336 CG MET A 25 10.049 -8.346 -1.842 1.00 1.00 C ATOM 337 SD MET A 25 8.526 -7.425 -2.165 1.00 1.00 S ATOM 338 CE MET A 25 8.314 -7.941 -3.885 1.00 1.00 C ATOM 0 H MET A 25 9.639 -5.615 -1.315 1.00 1.00 H new ATOM 0 HA MET A 25 12.151 -6.908 -0.406 1.00 1.00 H new ATOM 0 HB2 MET A 25 11.050 -7.028 -3.230 1.00 1.00 H new ATOM 0 HB3 MET A 25 12.121 -8.158 -2.424 1.00 1.00 H new ATOM 0 HG2 MET A 25 10.035 -9.292 -2.383 1.00 1.00 H new ATOM 0 HG3 MET A 25 10.122 -8.586 -0.781 1.00 1.00 H new ATOM 0 HE1 MET A 25 7.434 -7.453 -4.305 1.00 1.00 H new ATOM 0 HE2 MET A 25 9.195 -7.659 -4.461 1.00 1.00 H new ATOM 0 HE3 MET A 25 8.184 -9.022 -3.927 1.00 1.00 H new ATOM 348 N LYS A 26 13.682 -5.330 -1.592 1.00 1.00 N ATOM 349 CA LYS A 26 14.570 -4.313 -2.148 1.00 1.00 C ATOM 350 C LYS A 26 15.889 -4.947 -2.571 1.00 1.00 C ATOM 351 O LYS A 26 16.328 -5.942 -1.994 1.00 1.00 O ATOM 352 CB LYS A 26 14.831 -3.210 -1.121 1.00 1.00 C ATOM 353 CG LYS A 26 13.529 -2.460 -0.834 1.00 1.00 C ATOM 354 CD LYS A 26 13.785 -1.307 0.147 1.00 1.00 C ATOM 355 CE LYS A 26 14.027 -1.847 1.560 1.00 1.00 C ATOM 356 NZ LYS A 26 13.934 -0.724 2.533 1.00 1.00 N ATOM 0 H LYS A 26 14.150 -6.030 -1.016 1.00 1.00 H new ATOM 0 HA LYS A 26 14.088 -3.872 -3.020 1.00 1.00 H new ATOM 0 HB2 LYS A 26 15.225 -3.641 -0.201 1.00 1.00 H new ATOM 0 HB3 LYS A 26 15.585 -2.519 -1.498 1.00 1.00 H new ATOM 0 HG2 LYS A 26 13.113 -2.071 -1.763 1.00 1.00 H new ATOM 0 HG3 LYS A 26 12.791 -3.145 -0.417 1.00 1.00 H new ATOM 0 HD2 LYS A 26 14.649 -0.729 -0.180 1.00 1.00 H new ATOM 0 HD3 LYS A 26 12.931 -0.630 0.152 1.00 1.00 H new ATOM 0 HE2 LYS A 26 13.291 -2.615 1.800 1.00 1.00 H new ATOM 0 HE3 LYS A 26 15.009 -2.316 1.620 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 14.883 -0.495 2.891 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 13.531 0.111 2.062 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 13.322 -1.002 3.327 1.00 1.00 H new ATOM 370 N GLY A 27 16.513 -4.362 -3.583 1.00 1.00 N ATOM 371 CA GLY A 27 17.782 -4.862 -4.098 1.00 1.00 C ATOM 372 C GLY A 27 18.688 -5.423 -2.996 1.00 1.00 C ATOM 373 O GLY A 27 19.006 -6.612 -2.996 1.00 1.00 O ATOM 0 H GLY A 27 16.160 -3.536 -4.067 1.00 1.00 H new ATOM 0 HA2 GLY A 27 17.588 -5.641 -4.835 1.00 1.00 H new ATOM 0 HA3 GLY A 27 18.302 -4.056 -4.615 1.00 1.00 H new ATOM 377 N PRO A 28 19.135 -4.592 -2.083 1.00 1.00 N ATOM 378 CA PRO A 28 20.060 -5.020 -0.982 1.00 1.00 C ATOM 379 C PRO A 28 19.469 -6.105 -0.068 1.00 1.00 C ATOM 380 O PRO A 28 20.202 -6.966 0.418 1.00 1.00 O ATOM 381 CB PRO A 28 20.343 -3.711 -0.213 1.00 1.00 C ATOM 382 CG PRO A 28 19.209 -2.800 -0.562 1.00 1.00 C ATOM 383 CD PRO A 28 18.807 -3.161 -1.989 1.00 1.00 C ATOM 0 HA PRO A 28 20.961 -5.490 -1.377 1.00 1.00 H new ATOM 0 HB2 PRO A 28 20.390 -3.888 0.862 1.00 1.00 H new ATOM 0 HB3 PRO A 28 21.300 -3.280 -0.508 1.00 1.00 H new ATOM 0 HG2 PRO A 28 18.374 -2.935 0.125 1.00 1.00 H new ATOM 0 HG3 PRO A 28 19.512 -1.755 -0.494 1.00 1.00 H new ATOM 0 HD2 PRO A 28 17.747 -2.979 -2.166 1.00 1.00 H new ATOM 0 HD3 PRO A 28 19.358 -2.573 -2.723 1.00 1.00 H new ATOM 391 N LEU A 29 18.155 -6.067 0.164 1.00 1.00 N ATOM 392 CA LEU A 29 17.511 -7.069 1.023 1.00 1.00 C ATOM 393 C LEU A 29 16.015 -6.795 1.148 1.00 1.00 C ATOM 394 O LEU A 29 15.520 -5.792 0.640 1.00 1.00 O ATOM 395 CB LEU A 29 18.148 -7.084 2.426 1.00 1.00 C ATOM 396 CG LEU A 29 18.367 -5.655 2.952 1.00 1.00 C ATOM 397 CD1 LEU A 29 17.023 -4.928 3.112 1.00 1.00 C ATOM 398 CD2 LEU A 29 19.072 -5.731 4.311 1.00 1.00 C ATOM 0 H LEU A 29 17.523 -5.366 -0.223 1.00 1.00 H new ATOM 0 HA LEU A 29 17.658 -8.043 0.557 1.00 1.00 H new ATOM 0 HB2 LEU A 29 17.506 -7.633 3.114 1.00 1.00 H new ATOM 0 HB3 LEU A 29 19.101 -7.611 2.390 1.00 1.00 H new ATOM 0 HG LEU A 29 18.978 -5.101 2.240 1.00 1.00 H new ATOM 0 HD11 LEU A 29 17.197 -3.919 3.485 1.00 1.00 H new ATOM 0 HD12 LEU A 29 16.520 -4.876 2.146 1.00 1.00 H new ATOM 0 HD13 LEU A 29 16.397 -5.473 3.818 1.00 1.00 H new ATOM 0 HD21 LEU A 29 19.233 -4.723 4.694 1.00 1.00 H new ATOM 0 HD22 LEU A 29 18.453 -6.291 5.011 1.00 1.00 H new ATOM 0 HD23 LEU A 29 20.033 -6.233 4.195 1.00 1.00 H new ATOM 410 N ARG A 30 15.289 -7.696 1.827 1.00 1.00 N ATOM 411 CA ARG A 30 13.847 -7.532 2.013 1.00 1.00 C ATOM 412 C ARG A 30 13.512 -7.390 3.492 1.00 1.00 C ATOM 413 O ARG A 30 14.354 -7.619 4.359 1.00 1.00 O ATOM 414 CB ARG A 30 13.091 -8.728 1.427 1.00 1.00 C ATOM 415 CG ARG A 30 13.536 -10.026 2.106 1.00 1.00 C ATOM 416 CD ARG A 30 12.647 -11.164 1.620 1.00 1.00 C ATOM 417 NE ARG A 30 12.794 -11.347 0.178 1.00 1.00 N ATOM 418 CZ ARG A 30 12.054 -12.233 -0.484 1.00 1.00 C ATOM 419 NH1 ARG A 30 11.225 -13.009 0.162 1.00 1.00 N ATOM 420 NH2 ARG A 30 12.164 -12.335 -1.780 1.00 1.00 N ATOM 0 H ARG A 30 15.677 -8.538 2.252 1.00 1.00 H new ATOM 0 HA ARG A 30 13.539 -6.626 1.491 1.00 1.00 H new ATOM 0 HB2 ARG A 30 12.018 -8.589 1.561 1.00 1.00 H new ATOM 0 HB3 ARG A 30 13.273 -8.791 0.354 1.00 1.00 H new ATOM 0 HG2 ARG A 30 14.580 -10.236 1.872 1.00 1.00 H new ATOM 0 HG3 ARG A 30 13.466 -9.929 3.189 1.00 1.00 H new ATOM 0 HD2 ARG A 30 12.910 -12.086 2.138 1.00 1.00 H new ATOM 0 HD3 ARG A 30 11.606 -10.949 1.861 1.00 1.00 H new ATOM 0 HE ARG A 30 13.477 -10.785 -0.331 1.00 1.00 H new ATOM 0 HH11 ARG A 30 11.144 -12.937 1.176 1.00 1.00 H new ATOM 0 HH12 ARG A 30 10.659 -13.687 -0.348 1.00 1.00 H new ATOM 0 HH21 ARG A 30 12.817 -11.736 -2.285 1.00 1.00 H new ATOM 0 HH22 ARG A 30 11.597 -13.014 -2.288 1.00 1.00 H new ATOM 434 N GLU A 31 12.271 -7.012 3.764 1.00 1.00 N ATOM 435 CA GLU A 31 11.812 -6.834 5.135 1.00 1.00 C ATOM 436 C GLU A 31 10.281 -6.875 5.175 1.00 1.00 C ATOM 437 O GLU A 31 9.633 -6.364 4.265 1.00 1.00 O ATOM 438 CB GLU A 31 12.298 -5.481 5.666 1.00 1.00 C ATOM 439 CG GLU A 31 11.657 -4.356 4.845 1.00 1.00 C ATOM 440 CD GLU A 31 12.310 -3.020 5.174 1.00 1.00 C ATOM 441 OE1 GLU A 31 12.949 -2.933 6.211 1.00 1.00 O ATOM 442 OE2 GLU A 31 12.159 -2.099 4.388 1.00 1.00 O ATOM 0 H GLU A 31 11.564 -6.823 3.054 1.00 1.00 H new ATOM 0 HA GLU A 31 12.213 -7.635 5.756 1.00 1.00 H new ATOM 0 HB2 GLU A 31 12.035 -5.374 6.718 1.00 1.00 H new ATOM 0 HB3 GLU A 31 13.384 -5.421 5.601 1.00 1.00 H new ATOM 0 HG2 GLU A 31 11.763 -4.568 3.781 1.00 1.00 H new ATOM 0 HG3 GLU A 31 10.589 -4.307 5.055 1.00 1.00 H new ATOM 449 N PRO A 32 9.682 -7.450 6.194 1.00 1.00 N ATOM 450 CA PRO A 32 8.194 -7.514 6.289 1.00 1.00 C ATOM 451 C PRO A 32 7.584 -6.115 6.378 1.00 1.00 C ATOM 452 O PRO A 32 8.180 -5.203 6.952 1.00 1.00 O ATOM 453 CB PRO A 32 7.927 -8.344 7.559 1.00 1.00 C ATOM 454 CG PRO A 32 9.191 -8.258 8.360 1.00 1.00 C ATOM 455 CD PRO A 32 10.331 -8.092 7.351 1.00 1.00 C ATOM 0 HA PRO A 32 7.737 -7.965 5.408 1.00 1.00 H new ATOM 0 HB2 PRO A 32 7.079 -7.947 8.118 1.00 1.00 H new ATOM 0 HB3 PRO A 32 7.688 -9.378 7.310 1.00 1.00 H new ATOM 0 HG2 PRO A 32 9.157 -7.415 9.050 1.00 1.00 H new ATOM 0 HG3 PRO A 32 9.332 -9.156 8.961 1.00 1.00 H new ATOM 0 HD2 PRO A 32 11.135 -7.475 7.753 1.00 1.00 H new ATOM 0 HD3 PRO A 32 10.771 -9.052 7.082 1.00 1.00 H new ATOM 463 N CYS A 33 6.405 -5.951 5.787 1.00 1.00 N ATOM 464 CA CYS A 33 5.733 -4.658 5.785 1.00 1.00 C ATOM 465 C CYS A 33 4.225 -4.840 5.622 1.00 1.00 C ATOM 466 O CYS A 33 3.716 -5.958 5.659 1.00 1.00 O ATOM 467 CB CYS A 33 6.275 -3.806 4.635 1.00 1.00 C ATOM 468 SG CYS A 33 5.582 -4.392 3.067 1.00 1.00 S ATOM 0 H CYS A 33 5.898 -6.694 5.306 1.00 1.00 H new ATOM 0 HA CYS A 33 5.924 -4.159 6.735 1.00 1.00 H new ATOM 0 HB2 CYS A 33 6.015 -2.759 4.791 1.00 1.00 H new ATOM 0 HB3 CYS A 33 7.363 -3.864 4.608 1.00 1.00 H new ATOM 0 HG CYS A 33 4.743 -3.512 2.607 1.00 1.00 H new ATOM 474 N ALA A 34 3.520 -3.730 5.433 1.00 1.00 N ATOM 475 CA ALA A 34 2.074 -3.774 5.253 1.00 1.00 C ATOM 476 C ALA A 34 1.595 -2.541 4.496 1.00 1.00 C ATOM 477 O ALA A 34 2.119 -1.442 4.684 1.00 1.00 O ATOM 478 CB ALA A 34 1.378 -3.846 6.613 1.00 1.00 C ATOM 0 H ALA A 34 3.924 -2.794 5.401 1.00 1.00 H new ATOM 0 HA ALA A 34 1.824 -4.663 4.674 1.00 1.00 H new ATOM 0 HB1 ALA A 34 0.298 -3.878 6.468 1.00 1.00 H new ATOM 0 HB2 ALA A 34 1.701 -4.744 7.140 1.00 1.00 H new ATOM 0 HB3 ALA A 34 1.639 -2.967 7.202 1.00 1.00 H new ATOM 484 N LEU A 35 0.594 -2.729 3.638 1.00 1.00 N ATOM 485 CA LEU A 35 0.037 -1.630 2.850 1.00 1.00 C ATOM 486 C LEU A 35 -1.393 -1.351 3.284 1.00 1.00 C ATOM 487 O LEU A 35 -2.208 -2.267 3.388 1.00 1.00 O ATOM 488 CB LEU A 35 0.061 -1.993 1.363 1.00 1.00 C ATOM 489 CG LEU A 35 1.486 -2.380 0.945 1.00 1.00 C ATOM 490 CD1 LEU A 35 1.492 -2.763 -0.538 1.00 1.00 C ATOM 491 CD2 LEU A 35 2.444 -1.199 1.178 1.00 1.00 C ATOM 0 H LEU A 35 0.151 -3.633 3.470 1.00 1.00 H new ATOM 0 HA LEU A 35 0.641 -0.737 3.013 1.00 1.00 H new ATOM 0 HB2 LEU A 35 -0.622 -2.821 1.170 1.00 1.00 H new ATOM 0 HB3 LEU A 35 -0.286 -1.148 0.767 1.00 1.00 H new ATOM 0 HG LEU A 35 1.818 -3.228 1.544 1.00 1.00 H new ATOM 0 HD11 LEU A 35 2.503 -3.039 -0.839 1.00 1.00 H new ATOM 0 HD12 LEU A 35 0.823 -3.608 -0.698 1.00 1.00 H new ATOM 0 HD13 LEU A 35 1.155 -1.915 -1.134 1.00 1.00 H new ATOM 0 HD21 LEU A 35 3.452 -1.484 0.878 1.00 1.00 H new ATOM 0 HD22 LEU A 35 2.118 -0.344 0.586 1.00 1.00 H new ATOM 0 HD23 LEU A 35 2.442 -0.932 2.235 1.00 1.00 H new ATOM 503 N THR A 36 -1.691 -0.078 3.551 1.00 1.00 N ATOM 504 CA THR A 36 -3.030 0.314 3.992 1.00 1.00 C ATOM 505 C THR A 36 -3.564 1.486 3.183 1.00 1.00 C ATOM 506 O THR A 36 -2.917 2.524 3.064 1.00 1.00 O ATOM 507 CB THR A 36 -2.993 0.686 5.476 1.00 1.00 C ATOM 508 OG1 THR A 36 -2.592 -0.446 6.232 1.00 1.00 O ATOM 509 CG2 THR A 36 -4.380 1.143 5.931 1.00 1.00 C ATOM 0 H THR A 36 -1.029 0.693 3.470 1.00 1.00 H new ATOM 0 HA THR A 36 -3.698 -0.533 3.837 1.00 1.00 H new ATOM 0 HB THR A 36 -2.283 1.499 5.629 1.00 1.00 H new ATOM 0 HG1 THR A 36 -2.999 -0.405 7.123 1.00 1.00 H new ATOM 0 HG21 THR A 36 -4.348 1.407 6.988 1.00 1.00 H new ATOM 0 HG22 THR A 36 -4.685 2.013 5.349 1.00 1.00 H new ATOM 0 HG23 THR A 36 -5.097 0.336 5.780 1.00 1.00 H new ATOM 517 N LEU A 37 -4.773 1.312 2.655 1.00 1.00 N ATOM 518 CA LEU A 37 -5.428 2.358 1.878 1.00 1.00 C ATOM 519 C LEU A 37 -6.347 3.149 2.790 1.00 1.00 C ATOM 520 O LEU A 37 -7.212 2.579 3.455 1.00 1.00 O ATOM 521 CB LEU A 37 -6.237 1.727 0.738 1.00 1.00 C ATOM 522 CG LEU A 37 -7.002 2.807 -0.051 1.00 1.00 C ATOM 523 CD1 LEU A 37 -6.022 3.861 -0.592 1.00 1.00 C ATOM 524 CD2 LEU A 37 -7.766 2.146 -1.220 1.00 1.00 C ATOM 0 H LEU A 37 -5.318 0.455 2.752 1.00 1.00 H new ATOM 0 HA LEU A 37 -4.678 3.024 1.450 1.00 1.00 H new ATOM 0 HB2 LEU A 37 -5.569 1.185 0.068 1.00 1.00 H new ATOM 0 HB3 LEU A 37 -6.940 1.000 1.144 1.00 1.00 H new ATOM 0 HG LEU A 37 -7.713 3.300 0.612 1.00 1.00 H new ATOM 0 HD11 LEU A 37 -6.574 4.619 -1.148 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -5.497 4.331 0.240 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -5.299 3.381 -1.252 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -8.307 2.909 -1.779 1.00 1.00 H new ATOM 0 HD22 LEU A 37 -7.058 1.646 -1.881 1.00 1.00 H new ATOM 0 HD23 LEU A 37 -8.472 1.415 -0.826 1.00 1.00 H new ATOM 536 N ALA A 38 -6.153 4.465 2.836 1.00 1.00 N ATOM 537 CA ALA A 38 -6.974 5.314 3.698 1.00 1.00 C ATOM 538 C ALA A 38 -7.362 6.609 2.993 1.00 1.00 C ATOM 539 O ALA A 38 -6.629 7.115 2.144 1.00 1.00 O ATOM 540 CB ALA A 38 -6.216 5.634 4.989 1.00 1.00 C ATOM 0 H ALA A 38 -5.445 4.962 2.295 1.00 1.00 H new ATOM 0 HA ALA A 38 -7.888 4.770 3.936 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -6.834 6.267 5.626 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -5.984 4.707 5.514 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -5.290 6.156 4.747 1.00 1.00 H new ATOM 546 N GLN A 39 -8.529 7.133 3.363 1.00 1.00 N ATOM 547 CA GLN A 39 -9.046 8.373 2.782 1.00 1.00 C ATOM 548 C GLN A 39 -8.962 9.505 3.806 1.00 1.00 C ATOM 549 O GLN A 39 -9.544 9.416 4.886 1.00 1.00 O ATOM 550 CB GLN A 39 -10.506 8.164 2.361 1.00 1.00 C ATOM 551 CG GLN A 39 -11.024 9.408 1.636 1.00 1.00 C ATOM 552 CD GLN A 39 -12.490 9.214 1.256 1.00 1.00 C ATOM 553 OE1 GLN A 39 -12.794 8.823 0.128 1.00 1.00 O ATOM 554 NE2 GLN A 39 -13.423 9.464 2.135 1.00 1.00 N ATOM 0 H GLN A 39 -9.138 6.716 4.067 1.00 1.00 H new ATOM 0 HA GLN A 39 -8.448 8.640 1.911 1.00 1.00 H new ATOM 0 HB2 GLN A 39 -10.584 7.294 1.709 1.00 1.00 H new ATOM 0 HB3 GLN A 39 -11.121 7.962 3.238 1.00 1.00 H new ATOM 0 HG2 GLN A 39 -10.918 10.284 2.276 1.00 1.00 H new ATOM 0 HG3 GLN A 39 -10.429 9.593 0.742 1.00 1.00 H new ATOM 0 HE21 GLN A 39 -13.170 9.788 3.069 1.00 1.00 H new ATOM 0 HE22 GLN A 39 -14.404 9.336 1.888 1.00 1.00 H new ATOM 563 N ARG A 40 -8.231 10.569 3.470 1.00 1.00 N ATOM 564 CA ARG A 40 -8.082 11.705 4.385 1.00 1.00 C ATOM 565 C ARG A 40 -8.311 13.026 3.654 1.00 1.00 C ATOM 566 O ARG A 40 -7.819 13.227 2.544 1.00 1.00 O ATOM 567 CB ARG A 40 -6.685 11.684 5.014 1.00 1.00 C ATOM 568 CG ARG A 40 -6.579 12.788 6.068 1.00 1.00 C ATOM 569 CD ARG A 40 -5.281 12.616 6.860 1.00 1.00 C ATOM 570 NE ARG A 40 -4.121 12.852 6.006 1.00 1.00 N ATOM 571 CZ ARG A 40 -2.890 12.593 6.437 1.00 1.00 C ATOM 572 NH1 ARG A 40 -2.708 12.089 7.627 1.00 1.00 N ATOM 573 NH2 ARG A 40 -1.862 12.839 5.670 1.00 1.00 N ATOM 0 H ARG A 40 -7.738 10.669 2.583 1.00 1.00 H new ATOM 0 HA ARG A 40 -8.832 11.618 5.171 1.00 1.00 H new ATOM 0 HB2 ARG A 40 -6.495 10.712 5.470 1.00 1.00 H new ATOM 0 HB3 ARG A 40 -5.927 11.828 4.244 1.00 1.00 H new ATOM 0 HG2 ARG A 40 -6.597 13.766 5.588 1.00 1.00 H new ATOM 0 HG3 ARG A 40 -7.436 12.747 6.740 1.00 1.00 H new ATOM 0 HD2 ARG A 40 -5.267 13.310 7.701 1.00 1.00 H new ATOM 0 HD3 ARG A 40 -5.234 11.610 7.276 1.00 1.00 H new ATOM 0 HE ARG A 40 -4.257 13.221 5.065 1.00 1.00 H new ATOM 0 HH11 ARG A 40 -3.510 11.894 8.226 1.00 1.00 H new ATOM 0 HH12 ARG A 40 -1.764 11.890 7.958 1.00 1.00 H new ATOM 0 HH21 ARG A 40 -2.003 13.230 4.739 1.00 1.00 H new ATOM 0 HH22 ARG A 40 -0.918 12.640 6.002 1.00 1.00 H new ATOM 587 N ASN A 41 -9.068 13.911 4.298 1.00 1.00 N ATOM 588 CA ASN A 41 -9.381 15.223 3.733 1.00 1.00 C ATOM 589 C ASN A 41 -10.107 15.096 2.395 1.00 1.00 C ATOM 590 O ASN A 41 -9.922 15.922 1.501 1.00 1.00 O ATOM 591 CB ASN A 41 -8.098 16.041 3.545 1.00 1.00 C ATOM 592 CG ASN A 41 -7.485 16.387 4.900 1.00 1.00 C ATOM 593 OD1 ASN A 41 -6.291 16.676 4.984 1.00 1.00 O ATOM 594 ND2 ASN A 41 -8.229 16.374 5.973 1.00 1.00 N ATOM 0 H ASN A 41 -9.478 13.743 5.217 1.00 1.00 H new ATOM 0 HA ASN A 41 -10.040 15.735 4.434 1.00 1.00 H new ATOM 0 HB2 ASN A 41 -7.382 15.475 2.949 1.00 1.00 H new ATOM 0 HB3 ASN A 41 -8.319 16.955 2.994 1.00 1.00 H new ATOM 0 HD21 ASN A 41 -7.821 16.603 6.879 1.00 1.00 H new ATOM 0 HD22 ASN A 41 -9.218 16.135 5.905 1.00 1.00 H new ATOM 601 N GLY A 42 -10.941 14.067 2.261 1.00 1.00 N ATOM 602 CA GLY A 42 -11.692 13.867 1.022 1.00 1.00 C ATOM 603 C GLY A 42 -10.767 13.455 -0.117 1.00 1.00 C ATOM 604 O GLY A 42 -11.080 13.654 -1.291 1.00 1.00 O ATOM 0 H GLY A 42 -11.113 13.368 2.983 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.452 13.101 1.173 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -12.214 14.786 0.757 1.00 1.00 H new ATOM 608 N GLN A 43 -9.623 12.885 0.245 1.00 1.00 N ATOM 609 CA GLN A 43 -8.630 12.444 -0.731 1.00 1.00 C ATOM 610 C GLN A 43 -8.145 11.043 -0.379 1.00 1.00 C ATOM 611 O GLN A 43 -8.229 10.626 0.768 1.00 1.00 O ATOM 612 CB GLN A 43 -7.454 13.427 -0.722 1.00 1.00 C ATOM 613 CG GLN A 43 -6.288 12.868 -1.538 1.00 1.00 C ATOM 614 CD GLN A 43 -5.221 13.944 -1.716 1.00 1.00 C ATOM 615 OE1 GLN A 43 -5.499 15.128 -1.530 1.00 1.00 O ATOM 616 NE2 GLN A 43 -4.011 13.603 -2.065 1.00 1.00 N ATOM 0 H GLN A 43 -9.358 12.716 1.215 1.00 1.00 H new ATOM 0 HA GLN A 43 -9.076 12.418 -1.725 1.00 1.00 H new ATOM 0 HB2 GLN A 43 -7.769 14.385 -1.135 1.00 1.00 H new ATOM 0 HB3 GLN A 43 -7.134 13.612 0.303 1.00 1.00 H new ATOM 0 HG2 GLN A 43 -5.862 12.000 -1.034 1.00 1.00 H new ATOM 0 HG3 GLN A 43 -6.642 12.529 -2.512 1.00 1.00 H new ATOM 0 HE21 GLN A 43 -3.782 12.621 -2.219 1.00 1.00 H new ATOM 0 HE22 GLN A 43 -3.294 14.318 -2.184 1.00 1.00 H new ATOM 625 N TYR A 44 -7.626 10.324 -1.371 1.00 1.00 N ATOM 626 CA TYR A 44 -7.120 8.970 -1.143 1.00 1.00 C ATOM 627 C TYR A 44 -5.608 9.010 -0.940 1.00 1.00 C ATOM 628 O TYR A 44 -4.891 9.658 -1.701 1.00 1.00 O ATOM 629 CB TYR A 44 -7.444 8.081 -2.346 1.00 1.00 C ATOM 630 CG TYR A 44 -8.940 7.934 -2.482 1.00 1.00 C ATOM 631 CD1 TYR A 44 -9.675 8.901 -3.176 1.00 1.00 C ATOM 632 CD2 TYR A 44 -9.590 6.828 -1.920 1.00 1.00 C ATOM 633 CE1 TYR A 44 -11.062 8.765 -3.308 1.00 1.00 C ATOM 634 CE2 TYR A 44 -10.979 6.692 -2.051 1.00 1.00 C ATOM 635 CZ TYR A 44 -11.714 7.661 -2.745 1.00 1.00 C ATOM 636 OH TYR A 44 -13.082 7.529 -2.875 1.00 1.00 O ATOM 0 H TYR A 44 -7.544 10.651 -2.334 1.00 1.00 H new ATOM 0 HA TYR A 44 -7.597 8.562 -0.252 1.00 1.00 H new ATOM 0 HB2 TYR A 44 -7.028 8.516 -3.255 1.00 1.00 H new ATOM 0 HB3 TYR A 44 -6.983 7.101 -2.221 1.00 1.00 H new ATOM 0 HD1 TYR A 44 -9.172 9.753 -3.610 1.00 1.00 H new ATOM 0 HD2 TYR A 44 -9.022 6.081 -1.386 1.00 1.00 H new ATOM 0 HE1 TYR A 44 -11.629 9.512 -3.844 1.00 1.00 H new ATOM 0 HE2 TYR A 44 -11.482 5.840 -1.617 1.00 1.00 H new ATOM 0 HH TYR A 44 -13.375 6.708 -2.428 1.00 1.00 H new ATOM 646 N GLU A 45 -5.128 8.311 0.088 1.00 1.00 N ATOM 647 CA GLU A 45 -3.693 8.268 0.379 1.00 1.00 C ATOM 648 C GLU A 45 -3.278 6.854 0.776 1.00 1.00 C ATOM 649 O GLU A 45 -4.052 6.117 1.390 1.00 1.00 O ATOM 650 CB GLU A 45 -3.350 9.259 1.501 1.00 1.00 C ATOM 651 CG GLU A 45 -4.030 8.847 2.811 1.00 1.00 C ATOM 652 CD GLU A 45 -3.677 9.849 3.906 1.00 1.00 C ATOM 653 OE1 GLU A 45 -2.827 10.688 3.660 1.00 1.00 O ATOM 654 OE2 GLU A 45 -4.256 9.756 4.976 1.00 1.00 O ATOM 0 H GLU A 45 -5.706 7.770 0.730 1.00 1.00 H new ATOM 0 HA GLU A 45 -3.144 8.553 -0.518 1.00 1.00 H new ATOM 0 HB2 GLU A 45 -2.270 9.297 1.642 1.00 1.00 H new ATOM 0 HB3 GLU A 45 -3.670 10.262 1.218 1.00 1.00 H new ATOM 0 HG2 GLU A 45 -5.111 8.807 2.675 1.00 1.00 H new ATOM 0 HG3 GLU A 45 -3.708 7.847 3.101 1.00 1.00 H new ATOM 661 N LEU A 46 -2.052 6.480 0.414 1.00 1.00 N ATOM 662 CA LEU A 46 -1.523 5.149 0.721 1.00 1.00 C ATOM 663 C LEU A 46 -0.512 5.258 1.855 1.00 1.00 C ATOM 664 O LEU A 46 0.358 6.129 1.847 1.00 1.00 O ATOM 665 CB LEU A 46 -0.848 4.564 -0.533 1.00 1.00 C ATOM 666 CG LEU A 46 -0.883 3.016 -0.528 1.00 1.00 C ATOM 667 CD1 LEU A 46 -0.369 2.435 0.793 1.00 1.00 C ATOM 668 CD2 LEU A 46 -2.320 2.512 -0.791 1.00 1.00 C ATOM 0 H LEU A 46 -1.403 7.081 -0.094 1.00 1.00 H new ATOM 0 HA LEU A 46 -2.336 4.491 1.028 1.00 1.00 H new ATOM 0 HB2 LEU A 46 -1.351 4.937 -1.425 1.00 1.00 H new ATOM 0 HB3 LEU A 46 0.186 4.905 -0.583 1.00 1.00 H new ATOM 0 HG LEU A 46 -0.222 2.676 -1.325 1.00 1.00 H new ATOM 0 HD11 LEU A 46 -0.411 1.347 0.753 1.00 1.00 H new ATOM 0 HD12 LEU A 46 0.661 2.753 0.954 1.00 1.00 H new ATOM 0 HD13 LEU A 46 -0.991 2.792 1.614 1.00 1.00 H new ATOM 0 HD21 LEU A 46 -2.330 1.422 -0.785 1.00 1.00 H new ATOM 0 HD22 LEU A 46 -2.985 2.886 -0.012 1.00 1.00 H new ATOM 0 HD23 LEU A 46 -2.660 2.872 -1.762 1.00 1.00 H new ATOM 680 N ILE A 47 -0.630 4.359 2.820 1.00 1.00 N ATOM 681 CA ILE A 47 0.281 4.333 3.965 1.00 1.00 C ATOM 682 C ILE A 47 1.108 3.058 3.928 1.00 1.00 C ATOM 683 O ILE A 47 0.560 1.956 3.898 1.00 1.00 O ATOM 684 CB ILE A 47 -0.510 4.368 5.274 1.00 1.00 C ATOM 685 CG1 ILE A 47 -1.379 5.629 5.327 1.00 1.00 C ATOM 686 CG2 ILE A 47 0.469 4.386 6.450 1.00 1.00 C ATOM 687 CD1 ILE A 47 -2.360 5.523 6.501 1.00 1.00 C ATOM 0 H ILE A 47 -1.348 3.634 2.837 1.00 1.00 H new ATOM 0 HA ILE A 47 0.932 5.206 3.912 1.00 1.00 H new ATOM 0 HB ILE A 47 -1.150 3.487 5.331 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -0.751 6.512 5.442 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -1.926 5.747 4.391 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -0.088 4.411 7.387 1.00 1.00 H new ATOM 0 HG22 ILE A 47 1.090 3.490 6.421 1.00 1.00 H new ATOM 0 HG23 ILE A 47 1.104 5.270 6.382 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -2.979 6.419 6.540 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -2.996 4.648 6.366 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -1.803 5.426 7.433 1.00 1.00 H new ATOM 699 N ILE A 48 2.429 3.205 3.942 1.00 1.00 N ATOM 700 CA ILE A 48 3.322 2.049 3.925 1.00 1.00 C ATOM 701 C ILE A 48 3.916 1.847 5.310 1.00 1.00 C ATOM 702 O ILE A 48 4.577 2.735 5.847 1.00 1.00 O ATOM 703 CB ILE A 48 4.447 2.276 2.915 1.00 1.00 C ATOM 704 CG1 ILE A 48 3.852 2.512 1.524 1.00 1.00 C ATOM 705 CG2 ILE A 48 5.349 1.042 2.874 1.00 1.00 C ATOM 706 CD1 ILE A 48 4.950 3.003 0.578 1.00 1.00 C ATOM 0 H ILE A 48 2.904 4.107 3.965 1.00 1.00 H new ATOM 0 HA ILE A 48 2.756 1.163 3.637 1.00 1.00 H new ATOM 0 HB ILE A 48 5.029 3.148 3.214 1.00 1.00 H new ATOM 0 HG12 ILE A 48 3.414 1.590 1.143 1.00 1.00 H new ATOM 0 HG13 ILE A 48 3.049 3.247 1.580 1.00 1.00 H new ATOM 0 HG21 ILE A 48 6.152 1.202 2.154 1.00 1.00 H new ATOM 0 HG22 ILE A 48 5.776 0.871 3.862 1.00 1.00 H new ATOM 0 HG23 ILE A 48 4.763 0.173 2.576 1.00 1.00 H new ATOM 0 HD11 ILE A 48 4.528 3.171 -0.413 1.00 1.00 H new ATOM 0 HD12 ILE A 48 5.368 3.935 0.958 1.00 1.00 H new ATOM 0 HD13 ILE A 48 5.738 2.252 0.514 1.00 1.00 H new ATOM 718 N GLN A 49 3.666 0.677 5.896 1.00 1.00 N ATOM 719 CA GLN A 49 4.169 0.368 7.236 1.00 1.00 C ATOM 720 C GLN A 49 5.219 -0.730 7.188 1.00 1.00 C ATOM 721 O GLN A 49 4.978 -1.807 6.655 1.00 1.00 O ATOM 722 CB GLN A 49 3.021 -0.090 8.129 1.00 1.00 C ATOM 723 CG GLN A 49 2.091 1.087 8.404 1.00 1.00 C ATOM 724 CD GLN A 49 1.018 0.675 9.403 1.00 1.00 C ATOM 725 OE1 GLN A 49 0.116 -0.094 9.070 1.00 1.00 O ATOM 726 NE2 GLN A 49 1.081 1.128 10.622 1.00 1.00 N ATOM 0 H GLN A 49 3.121 -0.071 5.467 1.00 1.00 H new ATOM 0 HA GLN A 49 4.622 1.274 7.639 1.00 1.00 H new ATOM 0 HB2 GLN A 49 2.470 -0.897 7.646 1.00 1.00 H new ATOM 0 HB3 GLN A 49 3.411 -0.486 9.067 1.00 1.00 H new ATOM 0 HG2 GLN A 49 2.661 1.929 8.796 1.00 1.00 H new ATOM 0 HG3 GLN A 49 1.627 1.421 7.476 1.00 1.00 H new ATOM 0 HE21 GLN A 49 1.831 1.765 10.891 1.00 1.00 H new ATOM 0 HE22 GLN A 49 0.380 0.846 11.308 1.00 1.00 H new ATOM 735 N LEU A 50 6.380 -0.459 7.775 1.00 1.00 N ATOM 736 CA LEU A 50 7.463 -1.445 7.820 1.00 1.00 C ATOM 737 C LEU A 50 7.538 -2.051 9.219 1.00 1.00 C ATOM 738 O LEU A 50 7.678 -1.332 10.210 1.00 1.00 O ATOM 739 CB LEU A 50 8.805 -0.775 7.467 1.00 1.00 C ATOM 740 CG LEU A 50 8.988 -0.722 5.947 1.00 1.00 C ATOM 741 CD1 LEU A 50 7.832 0.047 5.305 1.00 1.00 C ATOM 742 CD2 LEU A 50 10.309 -0.023 5.623 1.00 1.00 C ATOM 0 H LEU A 50 6.598 0.430 8.225 1.00 1.00 H new ATOM 0 HA LEU A 50 7.263 -2.232 7.093 1.00 1.00 H new ATOM 0 HB2 LEU A 50 8.836 0.234 7.879 1.00 1.00 H new ATOM 0 HB3 LEU A 50 9.627 -1.330 7.920 1.00 1.00 H new ATOM 0 HG LEU A 50 9.000 -1.737 5.551 1.00 1.00 H new ATOM 0 HD11 LEU A 50 7.972 0.079 4.224 1.00 1.00 H new ATOM 0 HD12 LEU A 50 6.891 -0.452 5.535 1.00 1.00 H new ATOM 0 HD13 LEU A 50 7.809 1.063 5.698 1.00 1.00 H new ATOM 0 HD21 LEU A 50 10.444 0.017 4.542 1.00 1.00 H new ATOM 0 HD22 LEU A 50 10.293 0.990 6.025 1.00 1.00 H new ATOM 0 HD23 LEU A 50 11.134 -0.578 6.071 1.00 1.00 H new ATOM 754 N HIS A 51 7.438 -3.372 9.292 1.00 1.00 N ATOM 755 CA HIS A 51 7.493 -4.058 10.577 1.00 1.00 C ATOM 756 C HIS A 51 8.937 -4.177 11.054 1.00 1.00 C ATOM 757 O HIS A 51 9.437 -5.278 11.290 1.00 1.00 O ATOM 758 CB HIS A 51 6.869 -5.450 10.455 1.00 1.00 C ATOM 759 CG HIS A 51 5.436 -5.326 10.018 1.00 1.00 C ATOM 760 ND1 HIS A 51 4.470 -4.723 10.806 1.00 1.00 N ATOM 761 CD2 HIS A 51 4.788 -5.731 8.876 1.00 1.00 C ATOM 762 CE1 HIS A 51 3.303 -4.780 10.136 1.00 1.00 C ATOM 763 NE2 HIS A 51 3.442 -5.385 8.954 1.00 1.00 N ATOM 0 H HIS A 51 7.320 -3.985 8.485 1.00 1.00 H new ATOM 0 HA HIS A 51 6.929 -3.476 11.306 1.00 1.00 H new ATOM 0 HB2 HIS A 51 7.428 -6.048 9.736 1.00 1.00 H new ATOM 0 HB3 HIS A 51 6.924 -5.969 11.412 1.00 1.00 H new ATOM 0 HD1 HIS A 51 4.616 -4.310 11.727 1.00 1.00 H new ATOM 0 HD2 HIS A 51 5.252 -6.240 8.044 1.00 1.00 H new ATOM 0 HE1 HIS A 51 2.370 -4.385 10.509 1.00 1.00 H new ATOM 771 N GLU A 52 9.599 -3.034 11.193 1.00 1.00 N ATOM 772 CA GLU A 52 10.986 -3.008 11.642 1.00 1.00 C ATOM 773 C GLU A 52 11.127 -3.749 12.969 1.00 1.00 C ATOM 774 O GLU A 52 10.161 -3.881 13.721 1.00 1.00 O ATOM 775 CB GLU A 52 11.450 -1.559 11.815 1.00 1.00 C ATOM 776 CG GLU A 52 11.402 -0.835 10.468 1.00 1.00 C ATOM 777 CD GLU A 52 12.406 -1.451 9.499 1.00 1.00 C ATOM 778 OE1 GLU A 52 13.313 -2.123 9.964 1.00 1.00 O ATOM 779 OE2 GLU A 52 12.252 -1.245 8.307 1.00 1.00 O ATOM 0 H GLU A 52 9.199 -2.115 11.002 1.00 1.00 H new ATOM 0 HA GLU A 52 11.604 -3.501 10.892 1.00 1.00 H new ATOM 0 HB2 GLU A 52 10.813 -1.047 12.536 1.00 1.00 H new ATOM 0 HB3 GLU A 52 12.464 -1.537 12.214 1.00 1.00 H new ATOM 0 HG2 GLU A 52 10.397 -0.897 10.050 1.00 1.00 H new ATOM 0 HG3 GLU A 52 11.624 0.223 10.608 1.00 1.00 H new ATOM 786 N LYS A 53 12.333 -4.234 13.250 1.00 1.00 N ATOM 787 CA LYS A 53 12.578 -4.962 14.489 1.00 1.00 C ATOM 788 C LYS A 53 12.332 -4.056 15.695 1.00 1.00 C ATOM 789 O LYS A 53 11.753 -4.480 16.693 1.00 1.00 O ATOM 790 CB LYS A 53 14.018 -5.478 14.519 1.00 1.00 C ATOM 791 CG LYS A 53 14.214 -6.514 13.409 1.00 1.00 C ATOM 792 CD LYS A 53 15.653 -7.035 13.444 1.00 1.00 C ATOM 793 CE LYS A 53 15.893 -7.973 12.259 1.00 1.00 C ATOM 794 NZ LYS A 53 14.961 -9.133 12.340 1.00 1.00 N ATOM 0 H LYS A 53 13.147 -4.137 12.643 1.00 1.00 H new ATOM 0 HA LYS A 53 11.892 -5.808 14.535 1.00 1.00 H new ATOM 0 HB2 LYS A 53 14.715 -4.650 14.385 1.00 1.00 H new ATOM 0 HB3 LYS A 53 14.235 -5.924 15.490 1.00 1.00 H new ATOM 0 HG2 LYS A 53 13.514 -7.339 13.540 1.00 1.00 H new ATOM 0 HG3 LYS A 53 14.002 -6.067 12.438 1.00 1.00 H new ATOM 0 HD2 LYS A 53 16.353 -6.200 13.406 1.00 1.00 H new ATOM 0 HD3 LYS A 53 15.836 -7.562 14.380 1.00 1.00 H new ATOM 0 HE2 LYS A 53 15.741 -7.437 11.322 1.00 1.00 H new ATOM 0 HE3 LYS A 53 16.925 -8.323 12.263 1.00 1.00 H new ATOM 0 HZ1 LYS A 53 15.294 -9.891 11.711 1.00 1.00 H new ATOM 0 HZ2 LYS A 53 14.929 -9.485 13.318 1.00 1.00 H new ATOM 0 HZ3 LYS A 53 14.009 -8.834 12.048 1.00 1.00 H new ATOM 808 N GLU A 54 12.780 -2.808 15.593 1.00 1.00 N ATOM 809 CA GLU A 54 12.601 -1.854 16.683 1.00 1.00 C ATOM 810 C GLU A 54 11.134 -1.464 16.818 1.00 1.00 C ATOM 811 O GLU A 54 10.411 -1.993 17.662 1.00 1.00 O ATOM 812 CB GLU A 54 13.429 -0.596 16.417 1.00 1.00 C ATOM 813 CG GLU A 54 14.913 -0.945 16.483 1.00 1.00 C ATOM 814 CD GLU A 54 15.758 0.279 16.146 1.00 1.00 C ATOM 815 OE1 GLU A 54 15.181 1.325 15.900 1.00 1.00 O ATOM 816 OE2 GLU A 54 16.972 0.151 16.137 1.00 1.00 O ATOM 0 H GLU A 54 13.265 -2.436 14.776 1.00 1.00 H new ATOM 0 HA GLU A 54 12.933 -2.326 17.608 1.00 1.00 H new ATOM 0 HB2 GLU A 54 13.183 -0.186 15.437 1.00 1.00 H new ATOM 0 HB3 GLU A 54 13.191 0.172 17.153 1.00 1.00 H new ATOM 0 HG2 GLU A 54 15.165 -1.306 17.480 1.00 1.00 H new ATOM 0 HG3 GLU A 54 15.135 -1.753 15.786 1.00 1.00 H new ATOM 823 N GLN A 55 10.703 -0.529 15.975 1.00 1.00 N ATOM 824 CA GLN A 55 9.315 -0.058 15.994 1.00 1.00 C ATOM 825 C GLN A 55 8.812 0.198 14.577 1.00 1.00 C ATOM 826 O GLN A 55 9.585 0.555 13.689 1.00 1.00 O ATOM 827 CB GLN A 55 9.217 1.238 16.807 1.00 1.00 C ATOM 828 CG GLN A 55 7.764 1.720 16.836 1.00 1.00 C ATOM 829 CD GLN A 55 7.632 2.915 17.775 1.00 1.00 C ATOM 830 OE1 GLN A 55 8.458 3.098 18.668 1.00 1.00 O ATOM 831 NE2 GLN A 55 6.642 3.751 17.617 1.00 1.00 N ATOM 0 H GLN A 55 11.290 -0.082 15.271 1.00 1.00 H new ATOM 0 HA GLN A 55 8.698 -0.830 16.453 1.00 1.00 H new ATOM 0 HB2 GLN A 55 9.575 1.069 17.823 1.00 1.00 H new ATOM 0 HB3 GLN A 55 9.856 2.004 16.367 1.00 1.00 H new ATOM 0 HG2 GLN A 55 7.444 1.998 15.832 1.00 1.00 H new ATOM 0 HG3 GLN A 55 7.110 0.913 17.167 1.00 1.00 H new ATOM 0 HE21 GLN A 55 5.958 3.597 16.876 1.00 1.00 H new ATOM 0 HE22 GLN A 55 6.552 4.558 18.235 1.00 1.00 H new ATOM 840 N HIS A 56 7.509 0.024 14.379 1.00 1.00 N ATOM 841 CA HIS A 56 6.907 0.246 13.068 1.00 1.00 C ATOM 842 C HIS A 56 6.966 1.726 12.702 1.00 1.00 C ATOM 843 O HIS A 56 6.784 2.592 13.558 1.00 1.00 O ATOM 844 CB HIS A 56 5.449 -0.222 13.079 1.00 1.00 C ATOM 845 CG HIS A 56 4.652 0.644 14.016 1.00 1.00 C ATOM 846 ND1 HIS A 56 4.616 0.418 15.382 1.00 1.00 N ATOM 847 CD2 HIS A 56 3.860 1.745 13.797 1.00 1.00 C ATOM 848 CE1 HIS A 56 3.829 1.363 15.929 1.00 1.00 C ATOM 849 NE2 HIS A 56 3.342 2.197 15.007 1.00 1.00 N ATOM 0 H HIS A 56 6.853 -0.268 15.104 1.00 1.00 H new ATOM 0 HA HIS A 56 7.465 -0.325 12.326 1.00 1.00 H new ATOM 0 HB2 HIS A 56 5.031 -0.169 12.074 1.00 1.00 H new ATOM 0 HB3 HIS A 56 5.393 -1.264 13.393 1.00 1.00 H new ATOM 0 HD2 HIS A 56 3.669 2.192 12.833 1.00 1.00 H new ATOM 0 HE1 HIS A 56 3.617 1.438 16.985 1.00 1.00 H new ATOM 0 HE2 HIS A 56 2.723 2.994 15.157 1.00 1.00 H new ATOM 857 N VAL A 57 7.222 2.009 11.425 1.00 1.00 N ATOM 858 CA VAL A 57 7.308 3.394 10.945 1.00 1.00 C ATOM 859 C VAL A 57 6.178 3.696 9.966 1.00 1.00 C ATOM 860 O VAL A 57 5.912 2.922 9.047 1.00 1.00 O ATOM 861 CB VAL A 57 8.657 3.625 10.257 1.00 1.00 C ATOM 862 CG1 VAL A 57 9.762 3.700 11.310 1.00 1.00 C ATOM 863 CG2 VAL A 57 8.951 2.470 9.295 1.00 1.00 C ATOM 0 H VAL A 57 7.373 1.303 10.704 1.00 1.00 H new ATOM 0 HA VAL A 57 7.217 4.061 11.802 1.00 1.00 H new ATOM 0 HB VAL A 57 8.619 4.561 9.699 1.00 1.00 H new ATOM 0 HG11 VAL A 57 10.721 3.864 10.820 1.00 1.00 H new ATOM 0 HG12 VAL A 57 9.558 4.524 11.993 1.00 1.00 H new ATOM 0 HG13 VAL A 57 9.796 2.765 11.869 1.00 1.00 H new ATOM 0 HG21 VAL A 57 9.911 2.638 8.808 1.00 1.00 H new ATOM 0 HG22 VAL A 57 8.985 1.533 9.851 1.00 1.00 H new ATOM 0 HG23 VAL A 57 8.166 2.416 8.541 1.00 1.00 H new ATOM 873 N GLN A 58 5.516 4.833 10.177 1.00 1.00 N ATOM 874 CA GLN A 58 4.409 5.246 9.320 1.00 1.00 C ATOM 875 C GLN A 58 4.891 6.188 8.226 1.00 1.00 C ATOM 876 O GLN A 58 5.521 7.210 8.496 1.00 1.00 O ATOM 877 CB GLN A 58 3.344 5.957 10.151 1.00 1.00 C ATOM 878 CG GLN A 58 2.629 4.939 11.038 1.00 1.00 C ATOM 879 CD GLN A 58 1.628 5.654 11.939 1.00 1.00 C ATOM 880 OE1 GLN A 58 2.017 6.469 12.776 1.00 1.00 O ATOM 881 NE2 GLN A 58 0.354 5.401 11.814 1.00 1.00 N ATOM 0 H GLN A 58 5.728 5.483 10.934 1.00 1.00 H new ATOM 0 HA GLN A 58 3.988 4.352 8.860 1.00 1.00 H new ATOM 0 HB2 GLN A 58 3.803 6.732 10.765 1.00 1.00 H new ATOM 0 HB3 GLN A 58 2.627 6.452 9.496 1.00 1.00 H new ATOM 0 HG2 GLN A 58 2.115 4.202 10.421 1.00 1.00 H new ATOM 0 HG3 GLN A 58 3.355 4.397 11.644 1.00 1.00 H new ATOM 0 HE21 GLN A 58 0.034 4.726 11.120 1.00 1.00 H new ATOM 0 HE22 GLN A 58 -0.322 5.879 12.410 1.00 1.00 H new ATOM 890 N ASP A 59 4.569 5.835 6.988 1.00 1.00 N ATOM 891 CA ASP A 59 4.941 6.645 5.828 1.00 1.00 C ATOM 892 C ASP A 59 3.685 7.071 5.083 1.00 1.00 C ATOM 893 O ASP A 59 2.939 6.231 4.581 1.00 1.00 O ATOM 894 CB ASP A 59 5.845 5.843 4.894 1.00 1.00 C ATOM 895 CG ASP A 59 7.223 5.670 5.523 1.00 1.00 C ATOM 896 OD1 ASP A 59 7.508 6.371 6.480 1.00 1.00 O ATOM 897 OD2 ASP A 59 7.973 4.840 5.038 1.00 1.00 O ATOM 0 H ASP A 59 4.048 4.989 6.758 1.00 1.00 H new ATOM 0 HA ASP A 59 5.481 7.528 6.169 1.00 1.00 H new ATOM 0 HB2 ASP A 59 5.402 4.867 4.695 1.00 1.00 H new ATOM 0 HB3 ASP A 59 5.935 6.353 3.935 1.00 1.00 H new ATOM 902 N ILE A 60 3.445 8.378 5.020 1.00 1.00 N ATOM 903 CA ILE A 60 2.261 8.896 4.338 1.00 1.00 C ATOM 904 C ILE A 60 2.598 9.236 2.891 1.00 1.00 C ATOM 905 O ILE A 60 3.295 10.212 2.618 1.00 1.00 O ATOM 906 CB ILE A 60 1.772 10.159 5.054 1.00 1.00 C ATOM 907 CG1 ILE A 60 1.555 9.861 6.547 1.00 1.00 C ATOM 908 CG2 ILE A 60 0.460 10.638 4.424 1.00 1.00 C ATOM 909 CD1 ILE A 60 0.603 8.671 6.735 1.00 1.00 C ATOM 0 H ILE A 60 4.048 9.092 5.428 1.00 1.00 H new ATOM 0 HA ILE A 60 1.480 8.136 4.355 1.00 1.00 H new ATOM 0 HB ILE A 60 2.524 10.941 4.952 1.00 1.00 H new ATOM 0 HG12 ILE A 60 2.512 9.645 7.022 1.00 1.00 H new ATOM 0 HG13 ILE A 60 1.145 10.741 7.042 1.00 1.00 H new ATOM 0 HG21 ILE A 60 0.117 11.536 4.937 1.00 1.00 H new ATOM 0 HG22 ILE A 60 0.623 10.862 3.370 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -0.294 9.857 4.516 1.00 1.00 H new ATOM 0 HD11 ILE A 60 0.465 8.480 7.799 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -0.361 8.900 6.280 1.00 1.00 H new ATOM 0 HD13 ILE A 60 1.027 7.787 6.259 1.00 1.00 H new ATOM 921 N ILE A 61 2.092 8.420 1.967 1.00 1.00 N ATOM 922 CA ILE A 61 2.334 8.623 0.536 1.00 1.00 C ATOM 923 C ILE A 61 1.010 8.959 -0.169 1.00 1.00 C ATOM 924 O ILE A 61 0.068 8.171 -0.095 1.00 1.00 O ATOM 925 CB ILE A 61 2.913 7.341 -0.071 1.00 1.00 C ATOM 926 CG1 ILE A 61 4.110 6.862 0.765 1.00 1.00 C ATOM 927 CG2 ILE A 61 3.359 7.606 -1.510 1.00 1.00 C ATOM 928 CD1 ILE A 61 5.144 7.986 0.920 1.00 1.00 C ATOM 0 H ILE A 61 1.511 7.610 2.183 1.00 1.00 H new ATOM 0 HA ILE A 61 3.038 9.445 0.404 1.00 1.00 H new ATOM 0 HB ILE A 61 2.145 6.567 -0.070 1.00 1.00 H new ATOM 0 HG12 ILE A 61 3.768 6.537 1.748 1.00 1.00 H new ATOM 0 HG13 ILE A 61 4.572 5.998 0.287 1.00 1.00 H new ATOM 0 HG21 ILE A 61 3.770 6.692 -1.938 1.00 1.00 H new ATOM 0 HG22 ILE A 61 2.503 7.931 -2.102 1.00 1.00 H new ATOM 0 HG23 ILE A 61 4.122 8.385 -1.517 1.00 1.00 H new ATOM 0 HD11 ILE A 61 5.984 7.628 1.515 1.00 1.00 H new ATOM 0 HD12 ILE A 61 5.500 8.291 -0.064 1.00 1.00 H new ATOM 0 HD13 ILE A 61 4.683 8.838 1.419 1.00 1.00 H new ATOM 940 N PRO A 62 0.892 10.090 -0.837 1.00 1.00 N ATOM 941 CA PRO A 62 -0.378 10.468 -1.525 1.00 1.00 C ATOM 942 C PRO A 62 -0.609 9.674 -2.810 1.00 1.00 C ATOM 943 O PRO A 62 0.338 9.271 -3.486 1.00 1.00 O ATOM 944 CB PRO A 62 -0.199 11.967 -1.801 1.00 1.00 C ATOM 945 CG PRO A 62 1.274 12.151 -1.958 1.00 1.00 C ATOM 946 CD PRO A 62 1.934 11.123 -1.029 1.00 1.00 C ATOM 0 HA PRO A 62 -1.258 10.248 -0.921 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -0.734 12.270 -2.701 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -0.588 12.570 -0.980 1.00 1.00 H new ATOM 0 HG2 PRO A 62 1.578 11.993 -2.993 1.00 1.00 H new ATOM 0 HG3 PRO A 62 1.571 13.165 -1.690 1.00 1.00 H new ATOM 0 HD2 PRO A 62 2.835 10.702 -1.476 1.00 1.00 H new ATOM 0 HD3 PRO A 62 2.229 11.573 -0.081 1.00 1.00 H new ATOM 954 N ILE A 63 -1.883 9.460 -3.143 1.00 1.00 N ATOM 955 CA ILE A 63 -2.252 8.721 -4.350 1.00 1.00 C ATOM 956 C ILE A 63 -2.547 9.693 -5.490 1.00 1.00 C ATOM 957 O ILE A 63 -3.493 10.478 -5.424 1.00 1.00 O ATOM 958 CB ILE A 63 -3.479 7.850 -4.066 1.00 1.00 C ATOM 959 CG1 ILE A 63 -3.086 6.742 -3.082 1.00 1.00 C ATOM 960 CG2 ILE A 63 -3.983 7.219 -5.367 1.00 1.00 C ATOM 961 CD1 ILE A 63 -4.340 6.066 -2.523 1.00 1.00 C ATOM 0 H ILE A 63 -2.677 9.789 -2.593 1.00 1.00 H new ATOM 0 HA ILE A 63 -1.422 8.080 -4.646 1.00 1.00 H new ATOM 0 HB ILE A 63 -4.271 8.465 -3.639 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -2.459 6.005 -3.584 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -2.495 7.161 -2.267 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -4.856 6.601 -5.157 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -4.256 8.005 -6.071 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -3.196 6.601 -5.800 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -4.050 5.281 -1.825 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -4.951 6.805 -2.004 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -4.914 5.631 -3.341 1.00 1.00 H new ATOM 973 N ASN A 64 -1.721 9.633 -6.530 1.00 1.00 N ATOM 974 CA ASN A 64 -1.885 10.513 -7.681 1.00 1.00 C ATOM 975 C ASN A 64 -0.978 10.066 -8.825 1.00 1.00 C ATOM 976 O ASN A 64 -0.552 8.915 -8.877 1.00 1.00 O ATOM 977 CB ASN A 64 -1.553 11.954 -7.286 1.00 1.00 C ATOM 978 CG ASN A 64 -0.106 12.044 -6.812 1.00 1.00 C ATOM 979 OD1 ASN A 64 0.670 11.109 -7.001 1.00 1.00 O ATOM 980 ND2 ASN A 64 0.304 13.122 -6.201 1.00 1.00 N ATOM 0 H ASN A 64 -0.935 8.987 -6.599 1.00 1.00 H new ATOM 0 HA ASN A 64 -2.921 10.462 -8.016 1.00 1.00 H new ATOM 0 HB2 ASN A 64 -1.708 12.618 -8.136 1.00 1.00 H new ATOM 0 HB3 ASN A 64 -2.225 12.287 -6.495 1.00 1.00 H new ATOM 0 HD21 ASN A 64 1.270 13.190 -5.879 1.00 1.00 H new ATOM 0 HD22 ASN A 64 -0.341 13.897 -6.045 1.00 1.00 H new ATOM 987 N SER A 65 -0.692 10.981 -9.746 1.00 1.00 N ATOM 988 CA SER A 65 0.160 10.660 -10.886 1.00 1.00 C ATOM 989 C SER A 65 1.544 10.201 -10.429 1.00 1.00 C ATOM 990 O SER A 65 2.106 9.258 -10.982 1.00 1.00 O ATOM 991 CB SER A 65 0.301 11.882 -11.793 1.00 1.00 C ATOM 992 OG SER A 65 -0.969 12.203 -12.346 1.00 1.00 O ATOM 0 H SER A 65 -1.034 11.942 -9.727 1.00 1.00 H new ATOM 0 HA SER A 65 -0.309 9.845 -11.438 1.00 1.00 H new ATOM 0 HB2 SER A 65 0.688 12.728 -11.225 1.00 1.00 H new ATOM 0 HB3 SER A 65 1.017 11.678 -12.589 1.00 1.00 H new ATOM 0 HG SER A 65 -0.884 12.987 -12.927 1.00 1.00 H new ATOM 998 N HIS A 66 2.091 10.878 -9.424 1.00 1.00 N ATOM 999 CA HIS A 66 3.413 10.527 -8.912 1.00 1.00 C ATOM 1000 C HIS A 66 3.399 9.144 -8.265 1.00 1.00 C ATOM 1001 O HIS A 66 4.357 8.382 -8.392 1.00 1.00 O ATOM 1002 CB HIS A 66 3.879 11.568 -7.892 1.00 1.00 C ATOM 1003 CG HIS A 66 4.147 12.873 -8.591 1.00 1.00 C ATOM 1004 ND1 HIS A 66 5.196 13.030 -9.483 1.00 1.00 N ATOM 1005 CD2 HIS A 66 3.517 14.092 -8.534 1.00 1.00 C ATOM 1006 CE1 HIS A 66 5.167 14.302 -9.924 1.00 1.00 C ATOM 1007 NE2 HIS A 66 4.162 14.993 -9.377 1.00 1.00 N ATOM 0 H HIS A 66 1.646 11.665 -8.952 1.00 1.00 H new ATOM 0 HA HIS A 66 4.106 10.510 -9.753 1.00 1.00 H new ATOM 0 HB2 HIS A 66 3.118 11.705 -7.123 1.00 1.00 H new ATOM 0 HB3 HIS A 66 4.782 11.221 -7.389 1.00 1.00 H new ATOM 0 HD2 HIS A 66 2.652 14.317 -7.927 1.00 1.00 H new ATOM 0 HE1 HIS A 66 5.870 14.714 -10.633 1.00 1.00 H new ATOM 0 HE2 HIS A 66 3.920 15.970 -9.542 1.00 1.00 H new ATOM 1015 N PHE A 67 2.309 8.820 -7.572 1.00 1.00 N ATOM 1016 CA PHE A 67 2.178 7.523 -6.909 1.00 1.00 C ATOM 1017 C PHE A 67 1.416 6.553 -7.804 1.00 1.00 C ATOM 1018 O PHE A 67 0.287 6.824 -8.210 1.00 1.00 O ATOM 1019 CB PHE A 67 1.433 7.701 -5.577 1.00 1.00 C ATOM 1020 CG PHE A 67 0.984 6.358 -5.035 1.00 1.00 C ATOM 1021 CD1 PHE A 67 -0.227 5.800 -5.466 1.00 1.00 C ATOM 1022 CD2 PHE A 67 1.772 5.674 -4.100 1.00 1.00 C ATOM 1023 CE1 PHE A 67 -0.648 4.564 -4.965 1.00 1.00 C ATOM 1024 CE2 PHE A 67 1.350 4.437 -3.599 1.00 1.00 C ATOM 1025 CZ PHE A 67 0.139 3.882 -4.031 1.00 1.00 C ATOM 0 H PHE A 67 1.505 9.436 -7.455 1.00 1.00 H new ATOM 0 HA PHE A 67 3.171 7.117 -6.716 1.00 1.00 H new ATOM 0 HB2 PHE A 67 2.083 8.193 -4.853 1.00 1.00 H new ATOM 0 HB3 PHE A 67 0.568 8.349 -5.721 1.00 1.00 H new ATOM 0 HD1 PHE A 67 -0.836 6.325 -6.186 1.00 1.00 H new ATOM 0 HD2 PHE A 67 2.706 6.102 -3.766 1.00 1.00 H new ATOM 0 HE1 PHE A 67 -1.581 4.136 -5.299 1.00 1.00 H new ATOM 0 HE2 PHE A 67 1.959 3.910 -2.879 1.00 1.00 H new ATOM 0 HZ PHE A 67 -0.187 2.928 -3.643 1.00 1.00 H new ATOM 1035 N ARG A 68 2.029 5.414 -8.095 1.00 1.00 N ATOM 1036 CA ARG A 68 1.388 4.402 -8.932 1.00 1.00 C ATOM 1037 C ARG A 68 1.673 3.008 -8.394 1.00 1.00 C ATOM 1038 O ARG A 68 2.764 2.728 -7.903 1.00 1.00 O ATOM 1039 CB ARG A 68 1.890 4.510 -10.375 1.00 1.00 C ATOM 1040 CG ARG A 68 3.399 4.252 -10.429 1.00 1.00 C ATOM 1041 CD ARG A 68 3.871 4.329 -11.878 1.00 1.00 C ATOM 1042 NE ARG A 68 5.302 4.064 -11.950 1.00 1.00 N ATOM 1043 CZ ARG A 68 6.000 4.327 -13.049 1.00 1.00 C ATOM 1044 NH1 ARG A 68 5.403 4.792 -14.112 1.00 1.00 N ATOM 1045 NH2 ARG A 68 7.286 4.111 -13.064 1.00 1.00 N ATOM 0 H ARG A 68 2.963 5.166 -7.768 1.00 1.00 H new ATOM 0 HA ARG A 68 0.312 4.575 -8.914 1.00 1.00 H new ATOM 0 HB2 ARG A 68 1.367 3.790 -11.005 1.00 1.00 H new ATOM 0 HB3 ARG A 68 1.668 5.501 -10.772 1.00 1.00 H new ATOM 0 HG2 ARG A 68 3.927 4.988 -9.823 1.00 1.00 H new ATOM 0 HG3 ARG A 68 3.627 3.271 -10.011 1.00 1.00 H new ATOM 0 HD2 ARG A 68 3.328 3.605 -12.485 1.00 1.00 H new ATOM 0 HD3 ARG A 68 3.654 5.315 -12.288 1.00 1.00 H new ATOM 0 HE ARG A 68 5.778 3.668 -11.139 1.00 1.00 H new ATOM 0 HH11 ARG A 68 4.396 4.955 -14.101 1.00 1.00 H new ATOM 0 HH12 ARG A 68 5.943 4.993 -14.954 1.00 1.00 H new ATOM 0 HH21 ARG A 68 7.751 3.742 -12.235 1.00 1.00 H new ATOM 0 HH22 ARG A 68 7.827 4.311 -13.905 1.00 1.00 H new ATOM 1059 N CYS A 69 0.682 2.135 -8.513 1.00 1.00 N ATOM 1060 CA CYS A 69 0.812 0.752 -8.059 1.00 1.00 C ATOM 1061 C CYS A 69 0.697 -0.168 -9.263 1.00 1.00 C ATOM 1062 O CYS A 69 -0.406 -0.444 -9.731 1.00 1.00 O ATOM 1063 CB CYS A 69 -0.301 0.436 -7.051 1.00 1.00 C ATOM 1064 SG CYS A 69 -0.410 -1.355 -6.800 1.00 1.00 S ATOM 0 H CYS A 69 -0.225 2.359 -8.921 1.00 1.00 H new ATOM 0 HA CYS A 69 1.778 0.606 -7.575 1.00 1.00 H new ATOM 0 HB2 CYS A 69 -0.098 0.934 -6.103 1.00 1.00 H new ATOM 0 HB3 CYS A 69 -1.254 0.820 -7.415 1.00 1.00 H new ATOM 0 HG CYS A 69 -1.353 -1.617 -5.944 1.00 1.00 H new ATOM 1070 N VAL A 70 1.839 -0.634 -9.776 1.00 1.00 N ATOM 1071 CA VAL A 70 1.832 -1.511 -10.955 1.00 1.00 C ATOM 1072 C VAL A 70 2.105 -2.954 -10.557 1.00 1.00 C ATOM 1073 O VAL A 70 3.108 -3.252 -9.916 1.00 1.00 O ATOM 1074 CB VAL A 70 2.889 -1.039 -11.960 1.00 1.00 C ATOM 1075 CG1 VAL A 70 2.549 0.376 -12.433 1.00 1.00 C ATOM 1076 CG2 VAL A 70 4.266 -1.025 -11.292 1.00 1.00 C ATOM 0 H VAL A 70 2.765 -0.425 -9.404 1.00 1.00 H new ATOM 0 HA VAL A 70 0.846 -1.462 -11.416 1.00 1.00 H new ATOM 0 HB VAL A 70 2.902 -1.720 -12.811 1.00 1.00 H new ATOM 0 HG11 VAL A 70 3.301 0.711 -13.148 1.00 1.00 H new ATOM 0 HG12 VAL A 70 1.569 0.374 -12.911 1.00 1.00 H new ATOM 0 HG13 VAL A 70 2.534 1.052 -11.578 1.00 1.00 H new ATOM 0 HG21 VAL A 70 5.015 -0.689 -12.009 1.00 1.00 H new ATOM 0 HG22 VAL A 70 4.250 -0.346 -10.439 1.00 1.00 H new ATOM 0 HG23 VAL A 70 4.515 -2.030 -10.951 1.00 1.00 H new ATOM 1086 N GLN A 71 1.195 -3.842 -10.946 1.00 1.00 N ATOM 1087 CA GLN A 71 1.332 -5.258 -10.627 1.00 1.00 C ATOM 1088 C GLN A 71 2.346 -5.917 -11.554 1.00 1.00 C ATOM 1089 O GLN A 71 2.054 -6.183 -12.721 1.00 1.00 O ATOM 1090 CB GLN A 71 -0.024 -5.956 -10.776 1.00 1.00 C ATOM 1091 CG GLN A 71 0.004 -7.303 -10.046 1.00 1.00 C ATOM 1092 CD GLN A 71 -0.114 -7.082 -8.543 1.00 1.00 C ATOM 1093 OE1 GLN A 71 -1.012 -6.373 -8.089 1.00 1.00 O ATOM 1094 NE2 GLN A 71 0.745 -7.643 -7.739 1.00 1.00 N ATOM 0 H GLN A 71 0.359 -3.607 -11.480 1.00 1.00 H new ATOM 0 HA GLN A 71 1.681 -5.351 -9.598 1.00 1.00 H new ATOM 0 HB2 GLN A 71 -0.814 -5.327 -10.367 1.00 1.00 H new ATOM 0 HB3 GLN A 71 -0.251 -6.108 -11.831 1.00 1.00 H new ATOM 0 HG2 GLN A 71 -0.815 -7.932 -10.395 1.00 1.00 H new ATOM 0 HG3 GLN A 71 0.931 -7.830 -10.273 1.00 1.00 H new ATOM 0 HE21 GLN A 71 1.489 -8.230 -8.116 1.00 1.00 H new ATOM 0 HE22 GLN A 71 0.674 -7.495 -6.732 1.00 1.00 H new ATOM 1103 N GLU A 72 3.537 -6.180 -11.023 1.00 1.00 N ATOM 1104 CA GLU A 72 4.607 -6.815 -11.795 1.00 1.00 C ATOM 1105 C GLU A 72 4.606 -6.307 -13.238 1.00 1.00 C ATOM 1106 O GLU A 72 4.491 -7.082 -14.186 1.00 1.00 O ATOM 1107 CB GLU A 72 4.426 -8.332 -11.783 1.00 1.00 C ATOM 1108 CG GLU A 72 5.697 -9.007 -12.304 1.00 1.00 C ATOM 1109 CD GLU A 72 5.553 -10.523 -12.219 1.00 1.00 C ATOM 1110 OE1 GLU A 72 4.444 -10.981 -11.998 1.00 1.00 O ATOM 1111 OE2 GLU A 72 6.554 -11.204 -12.376 1.00 1.00 O ATOM 0 H GLU A 72 3.788 -5.963 -10.058 1.00 1.00 H new ATOM 0 HA GLU A 72 5.562 -6.560 -11.336 1.00 1.00 H new ATOM 0 HB2 GLU A 72 4.210 -8.674 -10.771 1.00 1.00 H new ATOM 0 HB3 GLU A 72 3.574 -8.611 -12.403 1.00 1.00 H new ATOM 0 HG2 GLU A 72 5.881 -8.708 -13.336 1.00 1.00 H new ATOM 0 HG3 GLU A 72 6.558 -8.682 -11.720 1.00 1.00 H new ATOM 1118 N ALA A 73 4.721 -4.996 -13.390 1.00 1.00 N ATOM 1119 CA ALA A 73 4.726 -4.386 -14.716 1.00 1.00 C ATOM 1120 C ALA A 73 4.948 -2.881 -14.620 1.00 1.00 C ATOM 1121 O ALA A 73 5.049 -2.325 -13.526 1.00 1.00 O ATOM 1122 CB ALA A 73 3.395 -4.656 -15.421 1.00 1.00 C ATOM 0 H ALA A 73 4.812 -4.335 -12.618 1.00 1.00 H new ATOM 0 HA ALA A 73 5.542 -4.827 -15.289 1.00 1.00 H new ATOM 0 HB1 ALA A 73 3.407 -4.197 -16.410 1.00 1.00 H new ATOM 0 HB2 ALA A 73 3.248 -5.731 -15.522 1.00 1.00 H new ATOM 0 HB3 ALA A 73 2.580 -4.232 -14.834 1.00 1.00 H new ATOM 1128 N GLU A 74 5.026 -2.231 -15.778 1.00 1.00 N ATOM 1129 CA GLU A 74 5.235 -0.786 -15.831 1.00 1.00 C ATOM 1130 C GLU A 74 3.900 -0.051 -15.758 1.00 1.00 C ATOM 1131 O GLU A 74 3.862 1.167 -15.585 1.00 1.00 O ATOM 1132 CB GLU A 74 5.952 -0.409 -17.127 1.00 1.00 C ATOM 1133 CG GLU A 74 7.386 -0.941 -17.094 1.00 1.00 C ATOM 1134 CD GLU A 74 8.081 -0.653 -18.420 1.00 1.00 C ATOM 1135 OE1 GLU A 74 7.449 -0.064 -19.282 1.00 1.00 O ATOM 1136 OE2 GLU A 74 9.234 -1.027 -18.555 1.00 1.00 O ATOM 0 H GLU A 74 4.948 -2.680 -16.690 1.00 1.00 H new ATOM 0 HA GLU A 74 5.848 -0.495 -14.978 1.00 1.00 H new ATOM 0 HB2 GLU A 74 5.419 -0.823 -17.983 1.00 1.00 H new ATOM 0 HB3 GLU A 74 5.958 0.674 -17.249 1.00 1.00 H new ATOM 0 HG2 GLU A 74 7.937 -0.475 -16.277 1.00 1.00 H new ATOM 0 HG3 GLU A 74 7.380 -2.014 -16.903 1.00 1.00 H new ATOM 1143 N GLU A 75 2.804 -0.799 -15.893 1.00 1.00 N ATOM 1144 CA GLU A 75 1.466 -0.209 -15.844 1.00 1.00 C ATOM 1145 C GLU A 75 0.472 -1.175 -15.211 1.00 1.00 C ATOM 1146 O GLU A 75 0.302 -1.198 -13.993 1.00 1.00 O ATOM 1147 CB GLU A 75 1.012 0.167 -17.258 1.00 1.00 C ATOM 1148 CG GLU A 75 -0.363 0.841 -17.197 1.00 1.00 C ATOM 1149 CD GLU A 75 -0.800 1.265 -18.595 1.00 1.00 C ATOM 1150 OE1 GLU A 75 0.042 1.282 -19.477 1.00 1.00 O ATOM 1151 OE2 GLU A 75 -1.970 1.564 -18.762 1.00 1.00 O ATOM 0 H GLU A 75 2.816 -1.809 -16.036 1.00 1.00 H new ATOM 0 HA GLU A 75 1.505 0.690 -15.229 1.00 1.00 H new ATOM 0 HB2 GLU A 75 1.737 0.839 -17.716 1.00 1.00 H new ATOM 0 HB3 GLU A 75 0.963 -0.724 -17.884 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -1.095 0.155 -16.771 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -0.322 1.710 -16.541 1.00 1.00 H new ATOM 1158 N THR A 76 -0.185 -1.964 -16.046 1.00 1.00 N ATOM 1159 CA THR A 76 -1.166 -2.929 -15.564 1.00 1.00 C ATOM 1160 C THR A 76 -2.047 -2.311 -14.478 1.00 1.00 C ATOM 1161 O THR A 76 -2.600 -3.009 -13.634 1.00 1.00 O ATOM 1162 CB THR A 76 -0.440 -4.161 -15.012 1.00 1.00 C ATOM 1163 OG1 THR A 76 0.374 -4.720 -16.036 1.00 1.00 O ATOM 1164 CG2 THR A 76 -1.452 -5.212 -14.531 1.00 1.00 C ATOM 0 H THR A 76 -0.059 -1.957 -17.058 1.00 1.00 H new ATOM 0 HA THR A 76 -1.807 -3.224 -16.395 1.00 1.00 H new ATOM 0 HB THR A 76 0.178 -3.859 -14.166 1.00 1.00 H new ATOM 0 HG1 THR A 76 0.842 -5.508 -15.688 1.00 1.00 H new ATOM 0 HG21 THR A 76 -0.919 -6.080 -14.142 1.00 1.00 H new ATOM 0 HG22 THR A 76 -2.073 -4.785 -13.744 1.00 1.00 H new ATOM 0 HG23 THR A 76 -2.083 -5.518 -15.365 1.00 1.00 H new ATOM 1172 N LEU A 77 -2.158 -0.990 -14.507 1.00 1.00 N ATOM 1173 CA LEU A 77 -2.959 -0.269 -13.525 1.00 1.00 C ATOM 1174 C LEU A 77 -4.443 -0.608 -13.660 1.00 1.00 C ATOM 1175 O LEU A 77 -5.145 -0.755 -12.660 1.00 1.00 O ATOM 1176 CB LEU A 77 -2.763 1.241 -13.704 1.00 1.00 C ATOM 1177 CG LEU A 77 -1.297 1.620 -13.446 1.00 1.00 C ATOM 1178 CD1 LEU A 77 -1.110 3.116 -13.718 1.00 1.00 C ATOM 1179 CD2 LEU A 77 -0.908 1.306 -11.991 1.00 1.00 C ATOM 0 H LEU A 77 -1.704 -0.395 -15.200 1.00 1.00 H new ATOM 0 HA LEU A 77 -2.627 -0.572 -12.532 1.00 1.00 H new ATOM 0 HB2 LEU A 77 -3.050 1.535 -14.714 1.00 1.00 H new ATOM 0 HB3 LEU A 77 -3.413 1.783 -13.017 1.00 1.00 H new ATOM 0 HG LEU A 77 -0.656 1.039 -14.109 1.00 1.00 H new ATOM 0 HD11 LEU A 77 -0.071 3.392 -13.537 1.00 1.00 H new ATOM 0 HD12 LEU A 77 -1.367 3.332 -14.755 1.00 1.00 H new ATOM 0 HD13 LEU A 77 -1.759 3.690 -13.056 1.00 1.00 H new ATOM 0 HD21 LEU A 77 0.134 1.581 -11.826 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -1.545 1.874 -11.313 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -1.037 0.240 -11.802 1.00 1.00 H new ATOM 1191 N LEU A 78 -4.918 -0.716 -14.894 1.00 1.00 N ATOM 1192 CA LEU A 78 -6.320 -1.021 -15.139 1.00 1.00 C ATOM 1193 C LEU A 78 -6.674 -2.408 -14.622 1.00 1.00 C ATOM 1194 O LEU A 78 -7.749 -2.606 -14.056 1.00 1.00 O ATOM 1195 CB LEU A 78 -6.626 -0.930 -16.640 1.00 1.00 C ATOM 1196 CG LEU A 78 -6.524 0.530 -17.113 1.00 1.00 C ATOM 1197 CD1 LEU A 78 -6.619 0.567 -18.642 1.00 1.00 C ATOM 1198 CD2 LEU A 78 -7.659 1.380 -16.502 1.00 1.00 C ATOM 0 H LEU A 78 -4.356 -0.597 -15.737 1.00 1.00 H new ATOM 0 HA LEU A 78 -6.925 -0.289 -14.604 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -5.927 -1.551 -17.200 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -7.626 -1.316 -16.839 1.00 1.00 H new ATOM 0 HG LEU A 78 -5.570 0.944 -16.787 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -6.548 1.599 -18.986 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -5.804 -0.016 -19.071 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -7.573 0.145 -18.958 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -7.569 2.410 -16.849 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -8.623 0.976 -16.811 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -7.587 1.356 -15.415 1.00 1.00 H new ATOM 1210 N ILE A 79 -5.772 -3.371 -14.822 1.00 1.00 N ATOM 1211 CA ILE A 79 -6.014 -4.746 -14.372 1.00 1.00 C ATOM 1212 C ILE A 79 -5.116 -5.108 -13.196 1.00 1.00 C ATOM 1213 O ILE A 79 -3.906 -4.907 -13.237 1.00 1.00 O ATOM 1214 CB ILE A 79 -5.760 -5.732 -15.511 1.00 1.00 C ATOM 1215 CG1 ILE A 79 -6.692 -5.412 -16.681 1.00 1.00 C ATOM 1216 CG2 ILE A 79 -6.026 -7.158 -15.017 1.00 1.00 C ATOM 1217 CD1 ILE A 79 -6.276 -6.231 -17.906 1.00 1.00 C ATOM 0 H ILE A 79 -4.876 -3.228 -15.288 1.00 1.00 H new ATOM 0 HA ILE A 79 -7.055 -4.807 -14.055 1.00 1.00 H new ATOM 0 HB ILE A 79 -4.725 -5.649 -15.842 1.00 1.00 H new ATOM 0 HG12 ILE A 79 -7.723 -5.640 -16.411 1.00 1.00 H new ATOM 0 HG13 ILE A 79 -6.651 -4.347 -16.911 1.00 1.00 H new ATOM 0 HG21 ILE A 79 -5.845 -7.864 -15.828 1.00 1.00 H new ATOM 0 HG22 ILE A 79 -5.361 -7.385 -14.184 1.00 1.00 H new ATOM 0 HG23 ILE A 79 -7.062 -7.242 -14.687 1.00 1.00 H new ATOM 0 HD11 ILE A 79 -6.941 -6.002 -18.739 1.00 1.00 H new ATOM 0 HD12 ILE A 79 -5.251 -5.981 -18.180 1.00 1.00 H new ATOM 0 HD13 ILE A 79 -6.340 -7.294 -17.672 1.00 1.00 H new ATOM 1229 N ASP A 80 -5.722 -5.653 -12.148 1.00 1.00 N ATOM 1230 CA ASP A 80 -4.982 -6.057 -10.954 1.00 1.00 C ATOM 1231 C ASP A 80 -5.590 -7.321 -10.353 1.00 1.00 C ATOM 1232 O ASP A 80 -4.881 -8.163 -9.803 1.00 1.00 O ATOM 1233 CB ASP A 80 -5.017 -4.934 -9.919 1.00 1.00 C ATOM 1234 CG ASP A 80 -6.459 -4.628 -9.530 1.00 1.00 C ATOM 1235 OD1 ASP A 80 -7.345 -4.994 -10.285 1.00 1.00 O ATOM 1236 OD2 ASP A 80 -6.656 -4.024 -8.487 1.00 1.00 O ATOM 0 H ASP A 80 -6.726 -5.826 -12.099 1.00 1.00 H new ATOM 0 HA ASP A 80 -3.949 -6.261 -11.237 1.00 1.00 H new ATOM 0 HB2 ASP A 80 -4.447 -5.224 -9.036 1.00 1.00 H new ATOM 0 HB3 ASP A 80 -4.543 -4.040 -10.324 1.00 1.00 H new ATOM 1241 N ILE A 81 -6.907 -7.442 -10.469 1.00 1.00 N ATOM 1242 CA ILE A 81 -7.611 -8.606 -9.940 1.00 1.00 C ATOM 1243 C ILE A 81 -7.242 -9.860 -10.730 1.00 1.00 C ATOM 1244 O ILE A 81 -7.331 -10.975 -10.217 1.00 1.00 O ATOM 1245 CB ILE A 81 -9.121 -8.364 -10.013 1.00 1.00 C ATOM 1246 CG1 ILE A 81 -9.501 -7.245 -9.040 1.00 1.00 C ATOM 1247 CG2 ILE A 81 -9.874 -9.644 -9.639 1.00 1.00 C ATOM 1248 CD1 ILE A 81 -10.919 -6.763 -9.347 1.00 1.00 C ATOM 0 H ILE A 81 -7.507 -6.753 -10.922 1.00 1.00 H new ATOM 0 HA ILE A 81 -7.317 -8.757 -8.901 1.00 1.00 H new ATOM 0 HB ILE A 81 -9.391 -8.076 -11.029 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -9.442 -7.606 -8.013 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -8.797 -6.417 -9.128 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -10.948 -9.464 -9.693 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -9.604 -10.441 -10.332 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -9.607 -9.940 -8.625 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -11.190 -5.966 -8.655 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -10.962 -6.386 -10.369 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -11.617 -7.593 -9.237 1.00 1.00 H new ATOM 1260 N ALA A 82 -6.834 -9.668 -11.980 1.00 1.00 N ATOM 1261 CA ALA A 82 -6.459 -10.792 -12.831 1.00 1.00 C ATOM 1262 C ALA A 82 -5.213 -11.495 -12.297 1.00 1.00 C ATOM 1263 O ALA A 82 -5.115 -12.721 -12.341 1.00 1.00 O ATOM 1264 CB ALA A 82 -6.197 -10.301 -14.256 1.00 1.00 C ATOM 0 H ALA A 82 -6.755 -8.753 -12.424 1.00 1.00 H new ATOM 0 HA ALA A 82 -7.284 -11.505 -12.833 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -5.917 -11.145 -14.886 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -7.100 -9.836 -14.652 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -5.387 -9.572 -14.246 1.00 1.00 H new ATOM 1270 N SER A 83 -4.260 -10.709 -11.796 1.00 1.00 N ATOM 1271 CA SER A 83 -3.015 -11.261 -11.261 1.00 1.00 C ATOM 1272 C SER A 83 -3.100 -11.386 -9.747 1.00 1.00 C ATOM 1273 O SER A 83 -2.444 -10.651 -9.009 1.00 1.00 O ATOM 1274 CB SER A 83 -1.845 -10.352 -11.638 1.00 1.00 C ATOM 1275 OG SER A 83 -0.795 -10.513 -10.692 1.00 1.00 O ATOM 0 H SER A 83 -4.325 -9.692 -11.749 1.00 1.00 H new ATOM 0 HA SER A 83 -2.857 -12.252 -11.687 1.00 1.00 H new ATOM 0 HB2 SER A 83 -1.488 -10.597 -12.638 1.00 1.00 H new ATOM 0 HB3 SER A 83 -2.171 -9.312 -11.662 1.00 1.00 H new ATOM 0 HG SER A 83 -1.047 -10.085 -9.847 1.00 1.00 H new ATOM 1281 N ASN A 84 -3.914 -12.330 -9.294 1.00 1.00 N ATOM 1282 CA ASN A 84 -4.097 -12.573 -7.863 1.00 1.00 C ATOM 1283 C ASN A 84 -3.238 -13.747 -7.415 1.00 1.00 C ATOM 1284 O ASN A 84 -2.369 -14.211 -8.155 1.00 1.00 O ATOM 1285 CB ASN A 84 -5.567 -12.872 -7.574 1.00 1.00 C ATOM 1286 CG ASN A 84 -6.406 -11.602 -7.710 1.00 1.00 C ATOM 1287 OD1 ASN A 84 -7.606 -11.681 -7.973 1.00 1.00 O ATOM 1288 ND2 ASN A 84 -5.854 -10.431 -7.539 1.00 1.00 N ATOM 0 H ASN A 84 -4.462 -12.944 -9.897 1.00 1.00 H new ATOM 0 HA ASN A 84 -3.794 -11.682 -7.313 1.00 1.00 H new ATOM 0 HB2 ASN A 84 -5.932 -13.632 -8.264 1.00 1.00 H new ATOM 0 HB3 ASN A 84 -5.671 -13.278 -6.568 1.00 1.00 H new ATOM 0 HD21 ASN A 84 -6.417 -9.585 -7.623 1.00 1.00 H new ATOM 0 HD22 ASN A 84 -4.860 -10.363 -7.321 1.00 1.00 H new ATOM 1295 N SER A 85 -3.473 -14.215 -6.195 1.00 1.00 N ATOM 1296 CA SER A 85 -2.699 -15.326 -5.659 1.00 1.00 C ATOM 1297 C SER A 85 -1.230 -14.931 -5.572 1.00 1.00 C ATOM 1298 O SER A 85 -0.452 -15.193 -6.487 1.00 1.00 O ATOM 1299 CB SER A 85 -2.856 -16.556 -6.558 1.00 1.00 C ATOM 1300 OG SER A 85 -4.211 -16.666 -6.972 1.00 1.00 O ATOM 0 H SER A 85 -4.185 -13.847 -5.565 1.00 1.00 H new ATOM 0 HA SER A 85 -3.066 -15.569 -4.662 1.00 1.00 H new ATOM 0 HB2 SER A 85 -2.204 -16.471 -7.427 1.00 1.00 H new ATOM 0 HB3 SER A 85 -2.554 -17.455 -6.020 1.00 1.00 H new ATOM 0 HG SER A 85 -4.314 -17.452 -7.549 1.00 1.00 H new ATOM 1306 N GLY A 86 -0.864 -14.276 -4.476 1.00 1.00 N ATOM 1307 CA GLY A 86 0.513 -13.826 -4.302 1.00 1.00 C ATOM 1308 C GLY A 86 0.829 -12.749 -5.332 1.00 1.00 C ATOM 1309 O GLY A 86 1.476 -13.013 -6.344 1.00 1.00 O ATOM 0 H GLY A 86 -1.491 -14.047 -3.705 1.00 1.00 H new ATOM 0 HA2 GLY A 86 0.654 -13.434 -3.295 1.00 1.00 H new ATOM 0 HA3 GLY A 86 1.199 -14.666 -4.416 1.00 1.00 H new ATOM 1313 N CYS A 87 0.329 -11.539 -5.085 1.00 1.00 N ATOM 1314 CA CYS A 87 0.520 -10.422 -6.018 1.00 1.00 C ATOM 1315 C CYS A 87 1.739 -9.572 -5.646 1.00 1.00 C ATOM 1316 O CYS A 87 2.000 -9.321 -4.470 1.00 1.00 O ATOM 1317 CB CYS A 87 -0.749 -9.525 -6.026 1.00 1.00 C ATOM 1318 SG CYS A 87 -2.131 -10.384 -5.225 1.00 1.00 S ATOM 0 H CYS A 87 -0.210 -11.304 -4.251 1.00 1.00 H new ATOM 0 HA CYS A 87 0.691 -10.843 -7.009 1.00 1.00 H new ATOM 0 HB2 CYS A 87 -0.544 -8.589 -5.507 1.00 1.00 H new ATOM 0 HB3 CYS A 87 -1.016 -9.270 -7.052 1.00 1.00 H new ATOM 1323 N LYS A 88 2.452 -9.093 -6.671 1.00 1.00 N ATOM 1324 CA LYS A 88 3.612 -8.222 -6.468 1.00 1.00 C ATOM 1325 C LYS A 88 3.341 -6.881 -7.130 1.00 1.00 C ATOM 1326 O LYS A 88 2.987 -6.828 -8.309 1.00 1.00 O ATOM 1327 CB LYS A 88 4.869 -8.827 -7.096 1.00 1.00 C ATOM 1328 CG LYS A 88 5.216 -10.155 -6.417 1.00 1.00 C ATOM 1329 CD LYS A 88 6.318 -10.866 -7.213 1.00 1.00 C ATOM 1330 CE LYS A 88 7.626 -10.070 -7.129 1.00 1.00 C ATOM 1331 NZ LYS A 88 8.759 -10.929 -7.572 1.00 1.00 N ATOM 0 H LYS A 88 2.245 -9.295 -7.649 1.00 1.00 H new ATOM 0 HA LYS A 88 3.774 -8.105 -5.396 1.00 1.00 H new ATOM 0 HB2 LYS A 88 4.710 -8.987 -8.162 1.00 1.00 H new ATOM 0 HB3 LYS A 88 5.703 -8.132 -6.998 1.00 1.00 H new ATOM 0 HG2 LYS A 88 5.549 -9.976 -5.395 1.00 1.00 H new ATOM 0 HG3 LYS A 88 4.330 -10.787 -6.358 1.00 1.00 H new ATOM 0 HD2 LYS A 88 6.469 -11.872 -6.821 1.00 1.00 H new ATOM 0 HD3 LYS A 88 6.014 -10.972 -8.254 1.00 1.00 H new ATOM 0 HE2 LYS A 88 7.564 -9.180 -7.756 1.00 1.00 H new ATOM 0 HE3 LYS A 88 7.792 -9.729 -6.107 1.00 1.00 H new ATOM 0 HZ1 LYS A 88 9.659 -10.486 -7.297 1.00 1.00 H new ATOM 0 HZ2 LYS A 88 8.682 -11.864 -7.123 1.00 1.00 H new ATOM 0 HZ3 LYS A 88 8.729 -11.038 -8.606 1.00 1.00 H new ATOM 1345 N ILE A 89 3.515 -5.795 -6.379 1.00 1.00 N ATOM 1346 CA ILE A 89 3.291 -4.452 -6.918 1.00 1.00 C ATOM 1347 C ILE A 89 4.508 -3.579 -6.657 1.00 1.00 C ATOM 1348 O ILE A 89 5.347 -3.909 -5.818 1.00 1.00 O ATOM 1349 CB ILE A 89 2.046 -3.810 -6.286 1.00 1.00 C ATOM 1350 CG1 ILE A 89 2.246 -3.629 -4.773 1.00 1.00 C ATOM 1351 CG2 ILE A 89 0.837 -4.715 -6.530 1.00 1.00 C ATOM 1352 CD1 ILE A 89 1.114 -2.778 -4.192 1.00 1.00 C ATOM 0 H ILE A 89 3.808 -5.816 -5.402 1.00 1.00 H new ATOM 0 HA ILE A 89 3.129 -4.537 -7.993 1.00 1.00 H new ATOM 0 HB ILE A 89 1.882 -2.833 -6.740 1.00 1.00 H new ATOM 0 HG12 ILE A 89 2.269 -4.602 -4.282 1.00 1.00 H new ATOM 0 HG13 ILE A 89 3.207 -3.152 -4.580 1.00 1.00 H new ATOM 0 HG21 ILE A 89 -0.050 -4.265 -6.084 1.00 1.00 H new ATOM 0 HG22 ILE A 89 0.683 -4.835 -7.602 1.00 1.00 H new ATOM 0 HG23 ILE A 89 1.016 -5.691 -6.078 1.00 1.00 H new ATOM 0 HD11 ILE A 89 1.265 -2.655 -3.119 1.00 1.00 H new ATOM 0 HD12 ILE A 89 1.111 -1.799 -4.672 1.00 1.00 H new ATOM 0 HD13 ILE A 89 0.159 -3.272 -4.370 1.00 1.00 H new ATOM 1364 N ARG A 90 4.598 -2.458 -7.367 1.00 1.00 N ATOM 1365 CA ARG A 90 5.718 -1.536 -7.191 1.00 1.00 C ATOM 1366 C ARG A 90 5.191 -0.121 -7.016 1.00 1.00 C ATOM 1367 O ARG A 90 4.206 0.264 -7.647 1.00 1.00 O ATOM 1368 CB ARG A 90 6.636 -1.599 -8.404 1.00 1.00 C ATOM 1369 CG ARG A 90 7.058 -3.049 -8.622 1.00 1.00 C ATOM 1370 CD ARG A 90 8.011 -3.119 -9.804 1.00 1.00 C ATOM 1371 NE ARG A 90 8.335 -4.509 -10.105 1.00 1.00 N ATOM 1372 CZ ARG A 90 9.155 -4.833 -11.100 1.00 1.00 C ATOM 1373 NH1 ARG A 90 9.738 -3.901 -11.803 1.00 1.00 N ATOM 1374 NH2 ARG A 90 9.387 -6.089 -11.366 1.00 1.00 N ATOM 0 H ARG A 90 3.914 -2.166 -8.065 1.00 1.00 H new ATOM 0 HA ARG A 90 6.283 -1.822 -6.304 1.00 1.00 H new ATOM 0 HB2 ARG A 90 6.123 -1.218 -9.287 1.00 1.00 H new ATOM 0 HB3 ARG A 90 7.512 -0.970 -8.248 1.00 1.00 H new ATOM 0 HG2 ARG A 90 7.541 -3.438 -7.726 1.00 1.00 H new ATOM 0 HG3 ARG A 90 6.183 -3.671 -8.808 1.00 1.00 H new ATOM 0 HD2 ARG A 90 7.558 -2.646 -10.675 1.00 1.00 H new ATOM 0 HD3 ARG A 90 8.923 -2.565 -9.579 1.00 1.00 H new ATOM 0 HE ARG A 90 7.923 -5.250 -9.538 1.00 1.00 H new ATOM 0 HH11 ARG A 90 9.565 -2.918 -11.590 1.00 1.00 H new ATOM 0 HH12 ARG A 90 10.366 -4.155 -12.565 1.00 1.00 H new ATOM 0 HH21 ARG A 90 8.940 -6.819 -10.811 1.00 1.00 H new ATOM 0 HH22 ARG A 90 10.016 -6.341 -12.129 1.00 1.00 H new ATOM 1388 N VAL A 91 5.840 0.643 -6.142 1.00 1.00 N ATOM 1389 CA VAL A 91 5.418 2.021 -5.870 1.00 1.00 C ATOM 1390 C VAL A 91 6.550 2.996 -6.168 1.00 1.00 C ATOM 1391 O VAL A 91 7.700 2.767 -5.796 1.00 1.00 O ATOM 1392 CB VAL A 91 5.000 2.151 -4.402 1.00 1.00 C ATOM 1393 CG1 VAL A 91 4.713 3.618 -4.061 1.00 1.00 C ATOM 1394 CG2 VAL A 91 3.749 1.303 -4.149 1.00 1.00 C ATOM 0 H VAL A 91 6.656 0.337 -5.611 1.00 1.00 H new ATOM 0 HA VAL A 91 4.572 2.261 -6.514 1.00 1.00 H new ATOM 0 HB VAL A 91 5.812 1.797 -3.767 1.00 1.00 H new ATOM 0 HG11 VAL A 91 4.417 3.697 -3.015 1.00 1.00 H new ATOM 0 HG12 VAL A 91 5.610 4.213 -4.230 1.00 1.00 H new ATOM 0 HG13 VAL A 91 3.907 3.988 -4.695 1.00 1.00 H new ATOM 0 HG21 VAL A 91 3.452 1.396 -3.104 1.00 1.00 H new ATOM 0 HG22 VAL A 91 2.938 1.651 -4.789 1.00 1.00 H new ATOM 0 HG23 VAL A 91 3.966 0.259 -4.373 1.00 1.00 H new ATOM 1404 N GLN A 92 6.205 4.094 -6.836 1.00 1.00 N ATOM 1405 CA GLN A 92 7.182 5.127 -7.186 1.00 1.00 C ATOM 1406 C GLN A 92 6.790 6.457 -6.557 1.00 1.00 C ATOM 1407 O GLN A 92 5.653 6.647 -6.130 1.00 1.00 O ATOM 1408 CB GLN A 92 7.250 5.294 -8.704 1.00 1.00 C ATOM 1409 CG GLN A 92 7.791 4.015 -9.339 1.00 1.00 C ATOM 1410 CD GLN A 92 9.243 3.796 -8.934 1.00 1.00 C ATOM 1411 OE1 GLN A 92 10.064 4.707 -9.044 1.00 1.00 O ATOM 1412 NE2 GLN A 92 9.614 2.633 -8.476 1.00 1.00 N ATOM 0 H GLN A 92 5.254 4.293 -7.147 1.00 1.00 H new ATOM 0 HA GLN A 92 8.157 4.820 -6.808 1.00 1.00 H new ATOM 0 HB2 GLN A 92 6.259 5.517 -9.100 1.00 1.00 H new ATOM 0 HB3 GLN A 92 7.892 6.137 -8.958 1.00 1.00 H new ATOM 0 HG2 GLN A 92 7.187 3.163 -9.027 1.00 1.00 H new ATOM 0 HG3 GLN A 92 7.715 4.080 -10.424 1.00 1.00 H new ATOM 0 HE21 GLN A 92 8.933 1.879 -8.386 1.00 1.00 H new ATOM 0 HE22 GLN A 92 10.586 2.477 -8.208 1.00 1.00 H new ATOM 1421 N GLY A 93 7.746 7.373 -6.509 1.00 1.00 N ATOM 1422 CA GLY A 93 7.501 8.691 -5.934 1.00 1.00 C ATOM 1423 C GLY A 93 8.787 9.506 -5.874 1.00 1.00 C ATOM 1424 O GLY A 93 9.871 8.954 -5.747 1.00 1.00 O ATOM 0 H GLY A 93 8.694 7.231 -6.859 1.00 1.00 H new ATOM 0 HA2 GLY A 93 6.758 9.220 -6.531 1.00 1.00 H new ATOM 0 HA3 GLY A 93 7.087 8.583 -4.932 1.00 1.00 H new ATOM 1428 N ASP A 94 8.661 10.820 -5.977 1.00 1.00 N ATOM 1429 CA ASP A 94 9.830 11.690 -5.932 1.00 1.00 C ATOM 1430 C ASP A 94 10.501 11.648 -4.557 1.00 1.00 C ATOM 1431 O ASP A 94 11.727 11.666 -4.457 1.00 1.00 O ATOM 1432 CB ASP A 94 9.422 13.126 -6.266 1.00 1.00 C ATOM 1433 CG ASP A 94 9.099 13.246 -7.752 1.00 1.00 C ATOM 1434 OD1 ASP A 94 9.423 12.327 -8.487 1.00 1.00 O ATOM 1435 OD2 ASP A 94 8.528 14.255 -8.133 1.00 1.00 O ATOM 0 H ASP A 94 7.771 11.305 -6.091 1.00 1.00 H new ATOM 0 HA ASP A 94 10.547 11.332 -6.671 1.00 1.00 H new ATOM 0 HB2 ASP A 94 8.554 13.413 -5.673 1.00 1.00 H new ATOM 0 HB3 ASP A 94 10.228 13.812 -6.004 1.00 1.00 H new ATOM 1440 N TRP A 95 9.688 11.612 -3.502 1.00 1.00 N ATOM 1441 CA TRP A 95 10.209 11.591 -2.133 1.00 1.00 C ATOM 1442 C TRP A 95 10.662 10.187 -1.709 1.00 1.00 C ATOM 1443 O TRP A 95 11.316 10.031 -0.677 1.00 1.00 O ATOM 1444 CB TRP A 95 9.141 12.129 -1.165 1.00 1.00 C ATOM 1445 CG TRP A 95 7.788 11.665 -1.604 1.00 1.00 C ATOM 1446 CD1 TRP A 95 7.117 10.611 -1.084 1.00 1.00 C ATOM 1447 CD2 TRP A 95 6.930 12.228 -2.639 1.00 1.00 C ATOM 1448 NE1 TRP A 95 5.906 10.488 -1.740 1.00 1.00 N ATOM 1449 CE2 TRP A 95 5.744 11.460 -2.707 1.00 1.00 C ATOM 1450 CE3 TRP A 95 7.066 13.317 -3.518 1.00 1.00 C ATOM 1451 CZ2 TRP A 95 4.730 11.760 -3.617 1.00 1.00 C ATOM 1452 CZ3 TRP A 95 6.047 13.623 -4.435 1.00 1.00 C ATOM 1453 CH2 TRP A 95 4.881 12.846 -4.483 1.00 1.00 C ATOM 0 H TRP A 95 8.670 11.597 -3.567 1.00 1.00 H new ATOM 0 HA TRP A 95 11.089 12.233 -2.099 1.00 1.00 H new ATOM 0 HB2 TRP A 95 9.345 11.781 -0.152 1.00 1.00 H new ATOM 0 HB3 TRP A 95 9.173 13.218 -1.141 1.00 1.00 H new ATOM 0 HD1 TRP A 95 7.469 9.972 -0.288 1.00 1.00 H new ATOM 0 HE1 TRP A 95 5.215 9.766 -1.534 1.00 1.00 H new ATOM 0 HE3 TRP A 95 7.960 13.922 -3.488 1.00 1.00 H new ATOM 0 HZ2 TRP A 95 3.835 11.157 -3.652 1.00 1.00 H new ATOM 0 HZ3 TRP A 95 6.162 14.461 -5.106 1.00 1.00 H new ATOM 0 HH2 TRP A 95 4.100 13.087 -5.189 1.00 1.00 H new ATOM 1464 N ILE A 96 10.317 9.169 -2.501 1.00 1.00 N ATOM 1465 CA ILE A 96 10.702 7.783 -2.188 1.00 1.00 C ATOM 1466 C ILE A 96 11.382 7.127 -3.389 1.00 1.00 C ATOM 1467 O ILE A 96 11.175 7.531 -4.526 1.00 1.00 O ATOM 1468 CB ILE A 96 9.457 6.983 -1.791 1.00 1.00 C ATOM 1469 CG1 ILE A 96 8.337 7.267 -2.797 1.00 1.00 C ATOM 1470 CG2 ILE A 96 9.005 7.386 -0.376 1.00 1.00 C ATOM 1471 CD1 ILE A 96 7.210 6.250 -2.608 1.00 1.00 C ATOM 0 H ILE A 96 9.775 9.273 -3.359 1.00 1.00 H new ATOM 0 HA ILE A 96 11.408 7.794 -1.358 1.00 1.00 H new ATOM 0 HB ILE A 96 9.690 5.918 -1.795 1.00 1.00 H new ATOM 0 HG12 ILE A 96 7.956 8.278 -2.657 1.00 1.00 H new ATOM 0 HG13 ILE A 96 8.725 7.211 -3.814 1.00 1.00 H new ATOM 0 HG21 ILE A 96 8.119 6.813 -0.100 1.00 1.00 H new ATOM 0 HG22 ILE A 96 9.806 7.180 0.334 1.00 1.00 H new ATOM 0 HG23 ILE A 96 8.769 8.450 -0.359 1.00 1.00 H new ATOM 0 HD11 ILE A 96 6.413 6.452 -3.324 1.00 1.00 H new ATOM 0 HD12 ILE A 96 7.597 5.244 -2.770 1.00 1.00 H new ATOM 0 HD13 ILE A 96 6.816 6.328 -1.595 1.00 1.00 H new ATOM 1483 N ARG A 97 12.201 6.108 -3.134 1.00 1.00 N ATOM 1484 CA ARG A 97 12.905 5.412 -4.216 1.00 1.00 C ATOM 1485 C ARG A 97 12.142 4.159 -4.630 1.00 1.00 C ATOM 1486 O ARG A 97 11.131 3.810 -4.022 1.00 1.00 O ATOM 1487 CB ARG A 97 14.312 5.019 -3.765 1.00 1.00 C ATOM 1488 CG ARG A 97 15.146 6.279 -3.533 1.00 1.00 C ATOM 1489 CD ARG A 97 16.530 5.881 -3.018 1.00 1.00 C ATOM 1490 NE ARG A 97 17.233 5.101 -4.030 1.00 1.00 N ATOM 1491 CZ ARG A 97 18.424 4.564 -3.782 1.00 1.00 C ATOM 1492 NH1 ARG A 97 19.007 4.775 -2.634 1.00 1.00 N ATOM 1493 NH2 ARG A 97 19.013 3.836 -4.690 1.00 1.00 N ATOM 0 H ARG A 97 12.394 5.747 -2.200 1.00 1.00 H new ATOM 0 HA ARG A 97 12.973 6.089 -5.068 1.00 1.00 H new ATOM 0 HB2 ARG A 97 14.260 4.431 -2.849 1.00 1.00 H new ATOM 0 HB3 ARG A 97 14.785 4.391 -4.520 1.00 1.00 H new ATOM 0 HG2 ARG A 97 15.239 6.843 -4.461 1.00 1.00 H new ATOM 0 HG3 ARG A 97 14.650 6.930 -2.812 1.00 1.00 H new ATOM 0 HD2 ARG A 97 17.105 6.773 -2.770 1.00 1.00 H new ATOM 0 HD3 ARG A 97 16.433 5.299 -2.101 1.00 1.00 H new ATOM 0 HE ARG A 97 16.803 4.965 -4.945 1.00 1.00 H new ATOM 0 HH11 ARG A 97 18.549 5.351 -1.928 1.00 1.00 H new ATOM 0 HH12 ARG A 97 19.921 4.364 -2.443 1.00 1.00 H new ATOM 0 HH21 ARG A 97 18.560 3.679 -5.590 1.00 1.00 H new ATOM 0 HH22 ARG A 97 19.927 3.424 -4.500 1.00 1.00 H new ATOM 1507 N GLU A 98 12.628 3.490 -5.672 1.00 1.00 N ATOM 1508 CA GLU A 98 11.977 2.279 -6.152 1.00 1.00 C ATOM 1509 C GLU A 98 11.939 1.220 -5.056 1.00 1.00 C ATOM 1510 O GLU A 98 12.974 0.727 -4.611 1.00 1.00 O ATOM 1511 CB GLU A 98 12.720 1.736 -7.380 1.00 1.00 C ATOM 1512 CG GLU A 98 12.015 0.477 -7.897 1.00 1.00 C ATOM 1513 CD GLU A 98 12.680 0.001 -9.184 1.00 1.00 C ATOM 1514 OE1 GLU A 98 13.751 0.499 -9.495 1.00 1.00 O ATOM 1515 OE2 GLU A 98 12.109 -0.851 -9.843 1.00 1.00 O ATOM 0 H GLU A 98 13.461 3.763 -6.194 1.00 1.00 H new ATOM 0 HA GLU A 98 10.953 2.524 -6.433 1.00 1.00 H new ATOM 0 HB2 GLU A 98 12.751 2.494 -8.163 1.00 1.00 H new ATOM 0 HB3 GLU A 98 13.753 1.505 -7.119 1.00 1.00 H new ATOM 0 HG2 GLU A 98 12.057 -0.309 -7.143 1.00 1.00 H new ATOM 0 HG3 GLU A 98 10.961 0.688 -8.079 1.00 1.00 H new ATOM 1522 N ARG A 99 10.723 0.871 -4.635 1.00 1.00 N ATOM 1523 CA ARG A 99 10.514 -0.140 -3.596 1.00 1.00 C ATOM 1524 C ARG A 99 9.502 -1.169 -4.092 1.00 1.00 C ATOM 1525 O ARG A 99 8.502 -0.809 -4.715 1.00 1.00 O ATOM 1526 CB ARG A 99 9.986 0.531 -2.320 1.00 1.00 C ATOM 1527 CG ARG A 99 11.082 1.401 -1.696 1.00 1.00 C ATOM 1528 CD ARG A 99 10.519 2.125 -0.469 1.00 1.00 C ATOM 1529 NE ARG A 99 11.547 2.955 0.150 1.00 1.00 N ATOM 1530 CZ ARG A 99 11.367 3.480 1.359 1.00 1.00 C ATOM 1531 NH1 ARG A 99 10.255 3.261 2.006 1.00 1.00 N ATOM 1532 NH2 ARG A 99 12.300 4.215 1.899 1.00 1.00 N ATOM 0 H ARG A 99 9.861 1.277 -5.000 1.00 1.00 H new ATOM 0 HA ARG A 99 11.459 -0.635 -3.374 1.00 1.00 H new ATOM 0 HB2 ARG A 99 9.114 1.142 -2.554 1.00 1.00 H new ATOM 0 HB3 ARG A 99 9.662 -0.227 -1.607 1.00 1.00 H new ATOM 0 HG2 ARG A 99 11.933 0.783 -1.409 1.00 1.00 H new ATOM 0 HG3 ARG A 99 11.446 2.126 -2.425 1.00 1.00 H new ATOM 0 HD2 ARG A 99 9.671 2.744 -0.762 1.00 1.00 H new ATOM 0 HD3 ARG A 99 10.148 1.397 0.252 1.00 1.00 H new ATOM 0 HE ARG A 99 12.417 3.135 -0.352 1.00 1.00 H new ATOM 0 HH11 ARG A 99 9.524 2.687 1.585 1.00 1.00 H new ATOM 0 HH12 ARG A 99 10.117 3.663 2.933 1.00 1.00 H new ATOM 0 HH21 ARG A 99 13.169 4.388 1.394 1.00 1.00 H new ATOM 0 HH22 ARG A 99 12.160 4.617 2.826 1.00 1.00 H new ATOM 1546 N ARG A 100 9.764 -2.452 -3.831 1.00 1.00 N ATOM 1547 CA ARG A 100 8.861 -3.520 -4.278 1.00 1.00 C ATOM 1548 C ARG A 100 8.081 -4.094 -3.101 1.00 1.00 C ATOM 1549 O ARG A 100 8.557 -4.084 -1.966 1.00 1.00 O ATOM 1550 CB ARG A 100 9.666 -4.628 -4.959 1.00 1.00 C ATOM 1551 CG ARG A 100 10.396 -4.045 -6.168 1.00 1.00 C ATOM 1552 CD ARG A 100 11.251 -5.131 -6.818 1.00 1.00 C ATOM 1553 NE ARG A 100 10.401 -6.184 -7.363 1.00 1.00 N ATOM 1554 CZ ARG A 100 10.924 -7.226 -7.999 1.00 1.00 C ATOM 1555 NH1 ARG A 100 12.195 -7.236 -8.298 1.00 1.00 N ATOM 1556 NH2 ARG A 100 10.159 -8.224 -8.355 1.00 1.00 N ATOM 0 H ARG A 100 10.584 -2.776 -3.318 1.00 1.00 H new ATOM 0 HA ARG A 100 8.151 -3.099 -4.990 1.00 1.00 H new ATOM 0 HB2 ARG A 100 10.382 -5.057 -4.258 1.00 1.00 H new ATOM 0 HB3 ARG A 100 9.004 -5.435 -5.273 1.00 1.00 H new ATOM 0 HG2 ARG A 100 9.676 -3.654 -6.887 1.00 1.00 H new ATOM 0 HG3 ARG A 100 11.024 -3.209 -5.859 1.00 1.00 H new ATOM 0 HD2 ARG A 100 11.860 -4.698 -7.612 1.00 1.00 H new ATOM 0 HD3 ARG A 100 11.937 -5.552 -6.083 1.00 1.00 H new ATOM 0 HE ARG A 100 9.389 -6.119 -7.254 1.00 1.00 H new ATOM 0 HH11 ARG A 100 12.785 -6.444 -8.043 1.00 1.00 H new ATOM 0 HH12 ARG A 100 12.598 -8.036 -8.786 1.00 1.00 H new ATOM 0 HH21 ARG A 100 9.161 -8.202 -8.144 1.00 1.00 H new ATOM 0 HH22 ARG A 100 10.560 -9.025 -8.844 1.00 1.00 H new ATOM 1570 N PHE A 101 6.874 -4.591 -3.379 1.00 1.00 N ATOM 1571 CA PHE A 101 6.018 -5.166 -2.330 1.00 1.00 C ATOM 1572 C PHE A 101 5.362 -6.452 -2.822 1.00 1.00 C ATOM 1573 O PHE A 101 5.186 -6.645 -4.025 1.00 1.00 O ATOM 1574 CB PHE A 101 4.923 -4.170 -1.941 1.00 1.00 C ATOM 1575 CG PHE A 101 5.535 -2.870 -1.474 1.00 1.00 C ATOM 1576 CD1 PHE A 101 5.960 -1.921 -2.410 1.00 1.00 C ATOM 1577 CD2 PHE A 101 5.674 -2.613 -0.108 1.00 1.00 C ATOM 1578 CE1 PHE A 101 6.524 -0.714 -1.976 1.00 1.00 C ATOM 1579 CE2 PHE A 101 6.235 -1.406 0.328 1.00 1.00 C ATOM 1580 CZ PHE A 101 6.661 -0.456 -0.607 1.00 1.00 C ATOM 0 H PHE A 101 6.466 -4.609 -4.314 1.00 1.00 H new ATOM 0 HA PHE A 101 6.642 -5.386 -1.464 1.00 1.00 H new ATOM 0 HB2 PHE A 101 4.270 -3.986 -2.794 1.00 1.00 H new ATOM 0 HB3 PHE A 101 4.303 -4.592 -1.150 1.00 1.00 H new ATOM 0 HD1 PHE A 101 5.853 -2.119 -3.466 1.00 1.00 H new ATOM 0 HD2 PHE A 101 5.348 -3.347 0.614 1.00 1.00 H new ATOM 0 HE1 PHE A 101 6.853 0.018 -2.698 1.00 1.00 H new ATOM 0 HE2 PHE A 101 6.339 -1.209 1.385 1.00 1.00 H new ATOM 0 HZ PHE A 101 7.095 0.475 -0.273 1.00 1.00 H new ATOM 1590 N GLU A 102 4.997 -7.328 -1.886 1.00 1.00 N ATOM 1591 CA GLU A 102 4.352 -8.596 -2.240 1.00 1.00 C ATOM 1592 C GLU A 102 3.359 -9.032 -1.170 1.00 1.00 C ATOM 1593 O GLU A 102 3.706 -9.156 0.001 1.00 1.00 O ATOM 1594 CB GLU A 102 5.419 -9.680 -2.430 1.00 1.00 C ATOM 1595 CG GLU A 102 4.758 -11.000 -2.843 1.00 1.00 C ATOM 1596 CD GLU A 102 5.826 -12.054 -3.109 1.00 1.00 C ATOM 1597 OE1 GLU A 102 6.970 -11.812 -2.757 1.00 1.00 O ATOM 1598 OE2 GLU A 102 5.487 -13.086 -3.662 1.00 1.00 O ATOM 0 H GLU A 102 5.134 -7.187 -0.885 1.00 1.00 H new ATOM 0 HA GLU A 102 3.803 -8.450 -3.170 1.00 1.00 H new ATOM 0 HB2 GLU A 102 6.134 -9.368 -3.191 1.00 1.00 H new ATOM 0 HB3 GLU A 102 5.978 -9.818 -1.504 1.00 1.00 H new ATOM 0 HG2 GLU A 102 4.085 -11.342 -2.056 1.00 1.00 H new ATOM 0 HG3 GLU A 102 4.153 -10.850 -3.737 1.00 1.00 H new ATOM 1605 N ILE A 103 2.119 -9.291 -1.593 1.00 1.00 N ATOM 1606 CA ILE A 103 1.070 -9.745 -0.677 1.00 1.00 C ATOM 1607 C ILE A 103 0.868 -11.258 -0.861 1.00 1.00 C ATOM 1608 O ILE A 103 0.196 -11.670 -1.804 1.00 1.00 O ATOM 1609 CB ILE A 103 -0.253 -9.006 -0.985 1.00 1.00 C ATOM 1610 CG1 ILE A 103 -0.173 -7.521 -0.515 1.00 1.00 C ATOM 1611 CG2 ILE A 103 -1.414 -9.708 -0.260 1.00 1.00 C ATOM 1612 CD1 ILE A 103 0.199 -6.605 -1.683 1.00 1.00 C ATOM 0 H ILE A 103 1.817 -9.194 -2.563 1.00 1.00 H new ATOM 0 HA ILE A 103 1.365 -9.531 0.350 1.00 1.00 H new ATOM 0 HB ILE A 103 -0.422 -9.026 -2.062 1.00 1.00 H new ATOM 0 HG12 ILE A 103 -1.132 -7.214 -0.097 1.00 1.00 H new ATOM 0 HG13 ILE A 103 0.567 -7.425 0.279 1.00 1.00 H new ATOM 0 HG21 ILE A 103 -2.347 -9.187 -0.477 1.00 1.00 H new ATOM 0 HG22 ILE A 103 -1.486 -10.740 -0.603 1.00 1.00 H new ATOM 0 HG23 ILE A 103 -1.233 -9.695 0.815 1.00 1.00 H new ATOM 0 HD11 ILE A 103 0.250 -5.573 -1.335 1.00 1.00 H new ATOM 0 HD12 ILE A 103 1.169 -6.901 -2.083 1.00 1.00 H new ATOM 0 HD13 ILE A 103 -0.556 -6.687 -2.465 1.00 1.00 H new ATOM 1624 N PRO A 104 1.428 -12.099 -0.011 1.00 1.00 N ATOM 1625 CA PRO A 104 1.270 -13.577 -0.160 1.00 1.00 C ATOM 1626 C PRO A 104 -0.135 -14.055 0.210 1.00 1.00 C ATOM 1627 O PRO A 104 -0.489 -15.208 -0.039 1.00 1.00 O ATOM 1628 CB PRO A 104 2.339 -14.160 0.775 1.00 1.00 C ATOM 1629 CG PRO A 104 2.550 -13.119 1.828 1.00 1.00 C ATOM 1630 CD PRO A 104 2.260 -11.761 1.170 1.00 1.00 C ATOM 0 HA PRO A 104 1.397 -13.900 -1.193 1.00 1.00 H new ATOM 0 HB2 PRO A 104 2.008 -15.102 1.213 1.00 1.00 H new ATOM 0 HB3 PRO A 104 3.263 -14.367 0.236 1.00 1.00 H new ATOM 0 HG2 PRO A 104 1.887 -13.287 2.677 1.00 1.00 H new ATOM 0 HG3 PRO A 104 3.571 -13.155 2.209 1.00 1.00 H new ATOM 0 HD2 PRO A 104 1.732 -11.093 1.851 1.00 1.00 H new ATOM 0 HD3 PRO A 104 3.180 -11.256 0.877 1.00 1.00 H new ATOM 1638 N ASP A 105 -0.936 -13.167 0.795 1.00 1.00 N ATOM 1639 CA ASP A 105 -2.303 -13.513 1.182 1.00 1.00 C ATOM 1640 C ASP A 105 -3.276 -13.065 0.097 1.00 1.00 C ATOM 1641 O ASP A 105 -3.520 -11.876 -0.080 1.00 1.00 O ATOM 1642 CB ASP A 105 -2.650 -12.844 2.514 1.00 1.00 C ATOM 1643 CG ASP A 105 -1.909 -13.537 3.651 1.00 1.00 C ATOM 1644 OD1 ASP A 105 -1.389 -14.619 3.424 1.00 1.00 O ATOM 1645 OD2 ASP A 105 -1.872 -12.978 4.733 1.00 1.00 O ATOM 0 H ASP A 105 -0.665 -12.208 1.011 1.00 1.00 H new ATOM 0 HA ASP A 105 -2.381 -14.594 1.300 1.00 1.00 H new ATOM 0 HB2 ASP A 105 -2.380 -11.789 2.482 1.00 1.00 H new ATOM 0 HB3 ASP A 105 -3.725 -12.893 2.686 1.00 1.00 H new ATOM 1650 N GLU A 106 -3.806 -14.036 -0.638 1.00 1.00 N ATOM 1651 CA GLU A 106 -4.730 -13.759 -1.737 1.00 1.00 C ATOM 1652 C GLU A 106 -5.974 -13.002 -1.268 1.00 1.00 C ATOM 1653 O GLU A 106 -6.320 -11.967 -1.829 1.00 1.00 O ATOM 1654 CB GLU A 106 -5.157 -15.079 -2.386 1.00 1.00 C ATOM 1655 CG GLU A 106 -6.006 -14.797 -3.628 1.00 1.00 C ATOM 1656 CD GLU A 106 -6.381 -16.111 -4.308 1.00 1.00 C ATOM 1657 OE1 GLU A 106 -6.186 -17.148 -3.697 1.00 1.00 O ATOM 1658 OE2 GLU A 106 -6.857 -16.059 -5.430 1.00 1.00 O ATOM 0 H GLU A 106 -3.612 -15.027 -0.494 1.00 1.00 H new ATOM 0 HA GLU A 106 -4.208 -13.128 -2.456 1.00 1.00 H new ATOM 0 HB2 GLU A 106 -4.277 -15.661 -2.660 1.00 1.00 H new ATOM 0 HB3 GLU A 106 -5.726 -15.677 -1.674 1.00 1.00 H new ATOM 0 HG2 GLU A 106 -6.907 -14.252 -3.347 1.00 1.00 H new ATOM 0 HG3 GLU A 106 -5.453 -14.163 -4.321 1.00 1.00 H new ATOM 1665 N GLU A 107 -6.648 -13.526 -0.251 1.00 1.00 N ATOM 1666 CA GLU A 107 -7.860 -12.881 0.249 1.00 1.00 C ATOM 1667 C GLU A 107 -7.591 -11.410 0.558 1.00 1.00 C ATOM 1668 O GLU A 107 -8.386 -10.539 0.209 1.00 1.00 O ATOM 1669 CB GLU A 107 -8.384 -13.599 1.507 1.00 1.00 C ATOM 1670 CG GLU A 107 -7.220 -13.998 2.426 1.00 1.00 C ATOM 1671 CD GLU A 107 -6.555 -15.274 1.918 1.00 1.00 C ATOM 1672 OE1 GLU A 107 -7.267 -16.139 1.438 1.00 1.00 O ATOM 1673 OE2 GLU A 107 -5.342 -15.366 2.017 1.00 1.00 O ATOM 0 H GLU A 107 -6.383 -14.381 0.238 1.00 1.00 H new ATOM 0 HA GLU A 107 -8.623 -12.945 -0.527 1.00 1.00 H new ATOM 0 HB2 GLU A 107 -9.072 -12.946 2.045 1.00 1.00 H new ATOM 0 HB3 GLU A 107 -8.947 -14.487 1.218 1.00 1.00 H new ATOM 0 HG2 GLU A 107 -6.488 -13.191 2.468 1.00 1.00 H new ATOM 0 HG3 GLU A 107 -7.586 -14.150 3.441 1.00 1.00 H new ATOM 1680 N HIS A 108 -6.464 -11.145 1.200 1.00 1.00 N ATOM 1681 CA HIS A 108 -6.094 -9.778 1.536 1.00 1.00 C ATOM 1682 C HIS A 108 -5.738 -9.000 0.276 1.00 1.00 C ATOM 1683 O HIS A 108 -5.983 -7.799 0.183 1.00 1.00 O ATOM 1684 CB HIS A 108 -4.892 -9.783 2.476 1.00 1.00 C ATOM 1685 CG HIS A 108 -5.271 -10.367 3.813 1.00 1.00 C ATOM 1686 ND1 HIS A 108 -4.324 -10.886 4.681 1.00 1.00 N ATOM 1687 CD2 HIS A 108 -6.480 -10.514 4.449 1.00 1.00 C ATOM 1688 CE1 HIS A 108 -4.970 -11.318 5.779 1.00 1.00 C ATOM 1689 NE2 HIS A 108 -6.287 -11.115 5.690 1.00 1.00 N ATOM 0 H HIS A 108 -5.793 -11.853 1.498 1.00 1.00 H new ATOM 0 HA HIS A 108 -6.943 -9.300 2.025 1.00 1.00 H new ATOM 0 HB2 HIS A 108 -4.081 -10.363 2.036 1.00 1.00 H new ATOM 0 HB3 HIS A 108 -4.522 -8.766 2.608 1.00 1.00 H new ATOM 0 HD2 HIS A 108 -7.435 -10.210 4.047 1.00 1.00 H new ATOM 0 HE1 HIS A 108 -4.483 -11.773 6.629 1.00 1.00 H new ATOM 0 HE2 HIS A 108 -6.998 -11.350 6.382 1.00 1.00 H new ATOM 1697 N CYS A 109 -5.143 -9.696 -0.688 1.00 1.00 N ATOM 1698 CA CYS A 109 -4.740 -9.062 -1.935 1.00 1.00 C ATOM 1699 C CYS A 109 -5.957 -8.558 -2.709 1.00 1.00 C ATOM 1700 O CYS A 109 -5.900 -7.513 -3.348 1.00 1.00 O ATOM 1701 CB CYS A 109 -3.931 -10.062 -2.794 1.00 1.00 C ATOM 1702 SG CYS A 109 -2.596 -9.192 -3.658 1.00 1.00 S ATOM 0 H CYS A 109 -4.931 -10.692 -0.629 1.00 1.00 H new ATOM 0 HA CYS A 109 -4.111 -8.203 -1.700 1.00 1.00 H new ATOM 0 HB2 CYS A 109 -3.516 -10.846 -2.161 1.00 1.00 H new ATOM 0 HB3 CYS A 109 -4.587 -10.549 -3.516 1.00 1.00 H new ATOM 1707 N LEU A 110 -7.049 -9.308 -2.665 1.00 1.00 N ATOM 1708 CA LEU A 110 -8.247 -8.908 -3.392 1.00 1.00 C ATOM 1709 C LEU A 110 -8.818 -7.607 -2.860 1.00 1.00 C ATOM 1710 O LEU A 110 -9.148 -6.708 -3.633 1.00 1.00 O ATOM 1711 CB LEU A 110 -9.319 -9.985 -3.266 1.00 1.00 C ATOM 1712 CG LEU A 110 -8.852 -11.288 -3.918 1.00 1.00 C ATOM 1713 CD1 LEU A 110 -9.914 -12.363 -3.676 1.00 1.00 C ATOM 1714 CD2 LEU A 110 -8.647 -11.085 -5.430 1.00 1.00 C ATOM 0 H LEU A 110 -7.132 -10.181 -2.144 1.00 1.00 H new ATOM 0 HA LEU A 110 -7.959 -8.770 -4.434 1.00 1.00 H new ATOM 0 HB2 LEU A 110 -9.545 -10.159 -2.214 1.00 1.00 H new ATOM 0 HB3 LEU A 110 -10.241 -9.645 -3.739 1.00 1.00 H new ATOM 0 HG LEU A 110 -7.902 -11.596 -3.481 1.00 1.00 H new ATOM 0 HD11 LEU A 110 -9.596 -13.299 -4.135 1.00 1.00 H new ATOM 0 HD12 LEU A 110 -10.044 -12.511 -2.604 1.00 1.00 H new ATOM 0 HD13 LEU A 110 -10.859 -12.046 -4.116 1.00 1.00 H new ATOM 0 HD21 LEU A 110 -8.315 -12.020 -5.881 1.00 1.00 H new ATOM 0 HD22 LEU A 110 -9.587 -10.776 -5.886 1.00 1.00 H new ATOM 0 HD23 LEU A 110 -7.893 -10.315 -5.595 1.00 1.00 H new ATOM 1726 N LYS A 111 -8.949 -7.509 -1.547 1.00 1.00 N ATOM 1727 CA LYS A 111 -9.497 -6.301 -0.965 1.00 1.00 C ATOM 1728 C LYS A 111 -8.537 -5.138 -1.169 1.00 1.00 C ATOM 1729 O LYS A 111 -8.939 -4.032 -1.533 1.00 1.00 O ATOM 1730 CB LYS A 111 -9.761 -6.495 0.532 1.00 1.00 C ATOM 1731 CG LYS A 111 -10.914 -7.477 0.722 1.00 1.00 C ATOM 1732 CD LYS A 111 -11.159 -7.692 2.215 1.00 1.00 C ATOM 1733 CE LYS A 111 -12.315 -8.676 2.402 1.00 1.00 C ATOM 1734 NZ LYS A 111 -12.545 -8.907 3.855 1.00 1.00 N ATOM 0 H LYS A 111 -8.689 -8.235 -0.879 1.00 1.00 H new ATOM 0 HA LYS A 111 -10.441 -6.080 -1.463 1.00 1.00 H new ATOM 0 HB2 LYS A 111 -8.864 -6.871 1.025 1.00 1.00 H new ATOM 0 HB3 LYS A 111 -10.003 -5.539 0.996 1.00 1.00 H new ATOM 0 HG2 LYS A 111 -11.816 -7.092 0.246 1.00 1.00 H new ATOM 0 HG3 LYS A 111 -10.680 -8.427 0.240 1.00 1.00 H new ATOM 0 HD2 LYS A 111 -10.258 -8.078 2.691 1.00 1.00 H new ATOM 0 HD3 LYS A 111 -11.393 -6.743 2.697 1.00 1.00 H new ATOM 0 HE2 LYS A 111 -13.220 -8.282 1.939 1.00 1.00 H new ATOM 0 HE3 LYS A 111 -12.087 -9.619 1.905 1.00 1.00 H new ATOM 0 HZ1 LYS A 111 -13.331 -9.576 3.980 1.00 1.00 H new ATOM 0 HZ2 LYS A 111 -11.684 -9.301 4.285 1.00 1.00 H new ATOM 0 HZ3 LYS A 111 -12.781 -8.006 4.317 1.00 1.00 H new ATOM 1748 N PHE A 112 -7.265 -5.408 -0.918 1.00 1.00 N ATOM 1749 CA PHE A 112 -6.224 -4.400 -1.056 1.00 1.00 C ATOM 1750 C PHE A 112 -6.127 -3.889 -2.491 1.00 1.00 C ATOM 1751 O PHE A 112 -6.092 -2.680 -2.725 1.00 1.00 O ATOM 1752 CB PHE A 112 -4.888 -5.019 -0.620 1.00 1.00 C ATOM 1753 CG PHE A 112 -3.724 -4.139 -1.027 1.00 1.00 C ATOM 1754 CD1 PHE A 112 -3.568 -2.871 -0.453 1.00 1.00 C ATOM 1755 CD2 PHE A 112 -2.802 -4.597 -1.976 1.00 1.00 C ATOM 1756 CE1 PHE A 112 -2.489 -2.062 -0.833 1.00 1.00 C ATOM 1757 CE2 PHE A 112 -1.728 -3.791 -2.353 1.00 1.00 C ATOM 1758 CZ PHE A 112 -1.568 -2.524 -1.784 1.00 1.00 C ATOM 0 H PHE A 112 -6.927 -6.322 -0.616 1.00 1.00 H new ATOM 0 HA PHE A 112 -6.469 -3.545 -0.425 1.00 1.00 H new ATOM 0 HB2 PHE A 112 -4.883 -5.158 0.461 1.00 1.00 H new ATOM 0 HB3 PHE A 112 -4.777 -6.006 -1.069 1.00 1.00 H new ATOM 0 HD1 PHE A 112 -4.278 -2.518 0.281 1.00 1.00 H new ATOM 0 HD2 PHE A 112 -2.923 -5.576 -2.417 1.00 1.00 H new ATOM 0 HE1 PHE A 112 -2.367 -1.083 -0.394 1.00 1.00 H new ATOM 0 HE2 PHE A 112 -1.019 -4.146 -3.086 1.00 1.00 H new ATOM 0 HZ PHE A 112 -0.735 -1.901 -2.077 1.00 1.00 H new ATOM 1768 N LEU A 113 -6.063 -4.808 -3.446 1.00 1.00 N ATOM 1769 CA LEU A 113 -5.949 -4.417 -4.842 1.00 1.00 C ATOM 1770 C LEU A 113 -7.220 -3.725 -5.326 1.00 1.00 C ATOM 1771 O LEU A 113 -7.162 -2.735 -6.055 1.00 1.00 O ATOM 1772 CB LEU A 113 -5.646 -5.650 -5.693 1.00 1.00 C ATOM 1773 CG LEU A 113 -4.234 -6.172 -5.364 1.00 1.00 C ATOM 1774 CD1 LEU A 113 -4.035 -7.538 -6.030 1.00 1.00 C ATOM 1775 CD2 LEU A 113 -3.156 -5.180 -5.857 1.00 1.00 C ATOM 0 H LEU A 113 -6.088 -5.814 -3.282 1.00 1.00 H new ATOM 0 HA LEU A 113 -5.131 -3.703 -4.941 1.00 1.00 H new ATOM 0 HB2 LEU A 113 -6.386 -6.427 -5.501 1.00 1.00 H new ATOM 0 HB3 LEU A 113 -5.714 -5.399 -6.752 1.00 1.00 H new ATOM 0 HG LEU A 113 -4.134 -6.272 -4.283 1.00 1.00 H new ATOM 0 HD11 LEU A 113 -3.037 -7.913 -5.801 1.00 1.00 H new ATOM 0 HD12 LEU A 113 -4.781 -8.238 -5.654 1.00 1.00 H new ATOM 0 HD13 LEU A 113 -4.145 -7.436 -7.110 1.00 1.00 H new ATOM 0 HD21 LEU A 113 -2.167 -5.568 -5.615 1.00 1.00 H new ATOM 0 HD22 LEU A 113 -3.243 -5.055 -6.936 1.00 1.00 H new ATOM 0 HD23 LEU A 113 -3.298 -4.216 -5.368 1.00 1.00 H new ATOM 1787 N SER A 114 -8.370 -4.257 -4.927 1.00 1.00 N ATOM 1788 CA SER A 114 -9.648 -3.684 -5.337 1.00 1.00 C ATOM 1789 C SER A 114 -9.820 -2.262 -4.808 1.00 1.00 C ATOM 1790 O SER A 114 -10.240 -1.365 -5.540 1.00 1.00 O ATOM 1791 CB SER A 114 -10.792 -4.557 -4.826 1.00 1.00 C ATOM 1792 OG SER A 114 -12.013 -3.837 -4.926 1.00 1.00 O ATOM 0 H SER A 114 -8.445 -5.077 -4.325 1.00 1.00 H new ATOM 0 HA SER A 114 -9.664 -3.647 -6.426 1.00 1.00 H new ATOM 0 HB2 SER A 114 -10.850 -5.477 -5.408 1.00 1.00 H new ATOM 0 HB3 SER A 114 -10.610 -4.845 -3.791 1.00 1.00 H new ATOM 0 HG SER A 114 -12.750 -4.395 -4.600 1.00 1.00 H new ATOM 1798 N ALA A 115 -9.509 -2.064 -3.531 1.00 1.00 N ATOM 1799 CA ALA A 115 -9.651 -0.749 -2.912 1.00 1.00 C ATOM 1800 C ALA A 115 -8.678 0.264 -3.520 1.00 1.00 C ATOM 1801 O ALA A 115 -9.063 1.387 -3.844 1.00 1.00 O ATOM 1802 CB ALA A 115 -9.427 -0.868 -1.397 1.00 1.00 C ATOM 0 H ALA A 115 -9.159 -2.791 -2.907 1.00 1.00 H new ATOM 0 HA ALA A 115 -10.661 -0.386 -3.102 1.00 1.00 H new ATOM 0 HB1 ALA A 115 -9.533 0.114 -0.935 1.00 1.00 H new ATOM 0 HB2 ALA A 115 -10.164 -1.550 -0.973 1.00 1.00 H new ATOM 0 HB3 ALA A 115 -8.425 -1.252 -1.206 1.00 1.00 H new ATOM 1808 N VAL A 116 -7.419 -0.140 -3.667 1.00 1.00 N ATOM 1809 CA VAL A 116 -6.399 0.743 -4.233 1.00 1.00 C ATOM 1810 C VAL A 116 -6.721 1.086 -5.687 1.00 1.00 C ATOM 1811 O VAL A 116 -6.611 2.240 -6.098 1.00 1.00 O ATOM 1812 CB VAL A 116 -5.025 0.073 -4.153 1.00 1.00 C ATOM 1813 CG1 VAL A 116 -3.989 0.907 -4.915 1.00 1.00 C ATOM 1814 CG2 VAL A 116 -4.605 -0.034 -2.687 1.00 1.00 C ATOM 0 H VAL A 116 -7.081 -1.066 -3.405 1.00 1.00 H new ATOM 0 HA VAL A 116 -6.387 1.666 -3.654 1.00 1.00 H new ATOM 0 HB VAL A 116 -5.083 -0.920 -4.599 1.00 1.00 H new ATOM 0 HG11 VAL A 116 -3.015 0.422 -4.852 1.00 1.00 H new ATOM 0 HG12 VAL A 116 -4.286 0.990 -5.960 1.00 1.00 H new ATOM 0 HG13 VAL A 116 -3.928 1.902 -4.475 1.00 1.00 H new ATOM 0 HG21 VAL A 116 -3.627 -0.511 -2.623 1.00 1.00 H new ATOM 0 HG22 VAL A 116 -4.552 0.963 -2.250 1.00 1.00 H new ATOM 0 HG23 VAL A 116 -5.336 -0.631 -2.142 1.00 1.00 H new ATOM 1824 N LEU A 117 -7.111 0.079 -6.455 1.00 1.00 N ATOM 1825 CA LEU A 117 -7.439 0.296 -7.859 1.00 1.00 C ATOM 1826 C LEU A 117 -8.595 1.273 -7.985 1.00 1.00 C ATOM 1827 O LEU A 117 -8.567 2.183 -8.809 1.00 1.00 O ATOM 1828 CB LEU A 117 -7.821 -1.037 -8.510 1.00 1.00 C ATOM 1829 CG LEU A 117 -8.299 -0.814 -9.953 1.00 1.00 C ATOM 1830 CD1 LEU A 117 -7.213 -0.096 -10.763 1.00 1.00 C ATOM 1831 CD2 LEU A 117 -8.602 -2.173 -10.586 1.00 1.00 C ATOM 0 H LEU A 117 -7.208 -0.885 -6.136 1.00 1.00 H new ATOM 0 HA LEU A 117 -6.567 0.713 -8.364 1.00 1.00 H new ATOM 0 HB2 LEU A 117 -6.964 -1.710 -8.505 1.00 1.00 H new ATOM 0 HB3 LEU A 117 -8.608 -1.519 -7.930 1.00 1.00 H new ATOM 0 HG LEU A 117 -9.197 -0.196 -9.950 1.00 1.00 H new ATOM 0 HD11 LEU A 117 -7.562 0.057 -11.784 1.00 1.00 H new ATOM 0 HD12 LEU A 117 -6.996 0.869 -10.305 1.00 1.00 H new ATOM 0 HD13 LEU A 117 -6.308 -0.703 -10.776 1.00 1.00 H new ATOM 0 HD21 LEU A 117 -8.943 -2.029 -11.611 1.00 1.00 H new ATOM 0 HD22 LEU A 117 -7.699 -2.784 -10.586 1.00 1.00 H new ATOM 0 HD23 LEU A 117 -9.380 -2.676 -10.012 1.00 1.00 H new ATOM 1843 N ALA A 118 -9.611 1.071 -7.164 1.00 1.00 N ATOM 1844 CA ALA A 118 -10.783 1.933 -7.188 1.00 1.00 C ATOM 1845 C ALA A 118 -10.399 3.372 -6.860 1.00 1.00 C ATOM 1846 O ALA A 118 -10.935 4.314 -7.442 1.00 1.00 O ATOM 1847 CB ALA A 118 -11.814 1.433 -6.174 1.00 1.00 C ATOM 0 H ALA A 118 -9.650 0.321 -6.474 1.00 1.00 H new ATOM 0 HA ALA A 118 -11.212 1.906 -8.189 1.00 1.00 H new ATOM 0 HB1 ALA A 118 -12.690 2.082 -6.196 1.00 1.00 H new ATOM 0 HB2 ALA A 118 -12.110 0.415 -6.428 1.00 1.00 H new ATOM 0 HB3 ALA A 118 -11.378 1.446 -5.175 1.00 1.00 H new ATOM 1853 N ALA A 119 -9.472 3.536 -5.923 1.00 1.00 N ATOM 1854 CA ALA A 119 -9.035 4.872 -5.535 1.00 1.00 C ATOM 1855 C ALA A 119 -8.373 5.591 -6.707 1.00 1.00 C ATOM 1856 O ALA A 119 -8.705 6.735 -7.004 1.00 1.00 O ATOM 1857 CB ALA A 119 -8.053 4.782 -4.363 1.00 1.00 C ATOM 0 H ALA A 119 -9.014 2.773 -5.424 1.00 1.00 H new ATOM 0 HA ALA A 119 -9.913 5.442 -5.231 1.00 1.00 H new ATOM 0 HB1 ALA A 119 -7.732 5.784 -4.080 1.00 1.00 H new ATOM 0 HB2 ALA A 119 -8.542 4.304 -3.514 1.00 1.00 H new ATOM 0 HB3 ALA A 119 -7.185 4.193 -4.660 1.00 1.00 H new ATOM 1863 N GLN A 120 -7.444 4.914 -7.373 1.00 1.00 N ATOM 1864 CA GLN A 120 -6.752 5.514 -8.514 1.00 1.00 C ATOM 1865 C GLN A 120 -7.691 5.659 -9.706 1.00 1.00 C ATOM 1866 O GLN A 120 -7.624 6.641 -10.443 1.00 1.00 O ATOM 1867 CB GLN A 120 -5.531 4.667 -8.899 1.00 1.00 C ATOM 1868 CG GLN A 120 -4.432 4.857 -7.848 1.00 1.00 C ATOM 1869 CD GLN A 120 -3.230 3.979 -8.180 1.00 1.00 C ATOM 1870 OE1 GLN A 120 -3.389 2.793 -8.472 1.00 1.00 O ATOM 1871 NE2 GLN A 120 -2.027 4.492 -8.151 1.00 1.00 N ATOM 0 H GLN A 120 -7.154 3.962 -7.149 1.00 1.00 H new ATOM 0 HA GLN A 120 -6.415 6.509 -8.224 1.00 1.00 H new ATOM 0 HB2 GLN A 120 -5.810 3.615 -8.965 1.00 1.00 H new ATOM 0 HB3 GLN A 120 -5.165 4.962 -9.882 1.00 1.00 H new ATOM 0 HG2 GLN A 120 -4.129 5.903 -7.813 1.00 1.00 H new ATOM 0 HG3 GLN A 120 -4.816 4.603 -6.860 1.00 1.00 H new ATOM 0 HE21 GLN A 120 -1.897 5.474 -7.909 1.00 1.00 H new ATOM 0 HE22 GLN A 120 -1.219 3.910 -8.370 1.00 1.00 H new ATOM 1880 N LYS A 121 -8.569 4.680 -9.880 1.00 1.00 N ATOM 1881 CA LYS A 121 -9.527 4.702 -10.972 1.00 1.00 C ATOM 1882 C LYS A 121 -10.412 5.935 -10.868 1.00 1.00 C ATOM 1883 O LYS A 121 -10.656 6.625 -11.857 1.00 1.00 O ATOM 1884 CB LYS A 121 -10.390 3.447 -10.884 1.00 1.00 C ATOM 1885 CG LYS A 121 -11.382 3.394 -12.044 1.00 1.00 C ATOM 1886 CD LYS A 121 -12.231 2.139 -11.883 1.00 1.00 C ATOM 1887 CE LYS A 121 -13.217 2.029 -13.042 1.00 1.00 C ATOM 1888 NZ LYS A 121 -14.270 3.075 -12.912 1.00 1.00 N ATOM 0 H LYS A 121 -8.636 3.860 -9.277 1.00 1.00 H new ATOM 0 HA LYS A 121 -8.998 4.732 -11.924 1.00 1.00 H new ATOM 0 HB2 LYS A 121 -9.755 2.561 -10.900 1.00 1.00 H new ATOM 0 HB3 LYS A 121 -10.929 3.436 -9.937 1.00 1.00 H new ATOM 0 HG2 LYS A 121 -12.013 4.283 -12.046 1.00 1.00 H new ATOM 0 HG3 LYS A 121 -10.853 3.376 -12.997 1.00 1.00 H new ATOM 0 HD2 LYS A 121 -11.591 1.257 -11.853 1.00 1.00 H new ATOM 0 HD3 LYS A 121 -12.771 2.173 -10.937 1.00 1.00 H new ATOM 0 HE2 LYS A 121 -12.692 2.145 -13.990 1.00 1.00 H new ATOM 0 HE3 LYS A 121 -13.674 1.039 -13.050 1.00 1.00 H new ATOM 0 HZ1 LYS A 121 -15.044 2.873 -13.577 1.00 1.00 H new ATOM 0 HZ2 LYS A 121 -14.640 3.076 -11.940 1.00 1.00 H new ATOM 0 HZ3 LYS A 121 -13.862 4.007 -13.128 1.00 1.00 H new ATOM 1902 N ALA A 122 -10.897 6.198 -9.662 1.00 1.00 N ATOM 1903 CA ALA A 122 -11.764 7.349 -9.434 1.00 1.00 C ATOM 1904 C ALA A 122 -11.031 8.660 -9.713 1.00 1.00 C ATOM 1905 O ALA A 122 -11.606 9.589 -10.281 1.00 1.00 O ATOM 1906 CB ALA A 122 -12.262 7.344 -7.989 1.00 1.00 C ATOM 0 H ALA A 122 -10.708 5.636 -8.832 1.00 1.00 H new ATOM 0 HA ALA A 122 -12.609 7.275 -10.119 1.00 1.00 H new ATOM 0 HB1 ALA A 122 -12.909 8.206 -7.824 1.00 1.00 H new ATOM 0 HB2 ALA A 122 -12.822 6.428 -7.800 1.00 1.00 H new ATOM 0 HB3 ALA A 122 -11.410 7.395 -7.310 1.00 1.00 H new ATOM 1912 N GLN A 123 -9.764 8.737 -9.310 1.00 1.00 N ATOM 1913 CA GLN A 123 -8.984 9.951 -9.528 1.00 1.00 C ATOM 1914 C GLN A 123 -8.783 10.205 -11.017 1.00 1.00 C ATOM 1915 O GLN A 123 -8.853 11.344 -11.478 1.00 1.00 O ATOM 1916 CB GLN A 123 -7.620 9.842 -8.840 1.00 1.00 C ATOM 1917 CG GLN A 123 -7.812 9.855 -7.322 1.00 1.00 C ATOM 1918 CD GLN A 123 -6.466 9.701 -6.624 1.00 1.00 C ATOM 1919 OE1 GLN A 123 -5.424 9.681 -7.280 1.00 1.00 O ATOM 1920 NE2 GLN A 123 -6.424 9.592 -5.324 1.00 1.00 N ATOM 0 H GLN A 123 -9.263 7.985 -8.838 1.00 1.00 H new ATOM 0 HA GLN A 123 -9.537 10.786 -9.099 1.00 1.00 H new ATOM 0 HB2 GLN A 123 -7.119 8.924 -9.146 1.00 1.00 H new ATOM 0 HB3 GLN A 123 -6.980 10.671 -9.144 1.00 1.00 H new ATOM 0 HG2 GLN A 123 -8.285 10.788 -7.015 1.00 1.00 H new ATOM 0 HG3 GLN A 123 -8.479 9.046 -7.025 1.00 1.00 H new ATOM 0 HE21 GLN A 123 -7.288 9.609 -4.783 1.00 1.00 H new ATOM 0 HE22 GLN A 123 -5.527 9.490 -4.849 1.00 1.00 H new ATOM 1929 N SER A 124 -8.532 9.136 -11.767 1.00 1.00 N ATOM 1930 CA SER A 124 -8.325 9.255 -13.206 1.00 1.00 C ATOM 1931 C SER A 124 -9.663 9.308 -13.938 1.00 1.00 C ATOM 1932 O SER A 124 -10.445 8.388 -13.768 1.00 1.00 O ATOM 1933 CB SER A 124 -7.512 8.065 -13.714 1.00 1.00 C ATOM 1934 OG SER A 124 -6.175 8.176 -13.245 1.00 1.00 O ATOM 1935 OXT SER A 124 -9.886 10.270 -14.654 1.00 1.00 O ATOM 0 H SER A 124 -8.467 8.184 -11.405 1.00 1.00 H new ATOM 0 HA SER A 124 -7.780 10.179 -13.401 1.00 1.00 H new ATOM 0 HB2 SER A 124 -7.955 7.132 -13.366 1.00 1.00 H new ATOM 0 HB3 SER A 124 -7.526 8.038 -14.804 1.00 1.00 H new ATOM 0 HG SER A 124 -5.651 7.413 -13.567 1.00 1.00 H new TER 1941 SER A 124