USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 1024 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 1 MET CE :methyl -136:sc= -2.27 (180deg=-2.49!) USER MOD Set 1.2: A 32 LYS NZ :NH3+ 155:sc= -0.644 (180deg=0) USER MOD Set 1.3: A 33 GLN : amide:sc= -0.463 K(o=-3.4,f=-4.3) USER MOD Set 2.1: A 15 GLN : amide:sc= 0.496 K(o=0.85,f=-0.51!) USER MOD Set 2.2: A 17 THR OG1 : rot -148:sc= 0.356 USER MOD Set 3.1: A 8 LYS NZ :NH3+ 179:sc= -0.594 (180deg=-0.601) USER MOD Set 3.2: A 35 THR OG1 : rot -170:sc= 0 USER MOD Set 3.3: A 50 ASN : amide:sc= -3.99! C(o=-4.6!,f=-6.5!) USER MOD Set 4.1: A 6 LYS NZ :NH3+ 147:sc= -0.116 (180deg=-0.287) USER MOD Set 4.2: A 81 LYS NZ :NH3+ -177:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 145:sc= 1.04 (180deg=-1.81!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0033 X(o=-0.0033,f=0) USER MOD Single : A 28 GLN : amide:sc= -0.0908 X(o=-0.091,f=-0.58) USER MOD Single : A 42 GLN : amide:sc= -0.0659 K(o=-0.066,f=-1.5) USER MOD Single : A 44 MET CE :methyl 140:sc= -0.464 (180deg=-1.01) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 163:sc= -9.82! (180deg=-12.1!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 HIS : no HE2:sc= -14.2! C(o=-14!,f=-21!) USER MOD Single : A 53 HIS : no HD1:sc= -0.35 X(o=-0.35,f=-0.76) USER MOD Single : A 57 SER OG : rot 84:sc= -0.165! USER MOD Single : A 60 ASN : amide:sc= -0.14 K(o=-0.14,f=-4!) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc=-0.00556 X(o=-0.0056,f=-0.12) USER MOD Single : A 76 ASN : amide:sc= -0.231 K(o=-0.23,f=-1) USER MOD Single : A 79 THR OG1 : rot 159:sc= -1.58! USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.683 USER MOD Single : A 90 GLN : amide:sc=-0.00891 X(o=-0.0089,f=-0.026) USER MOD Single : A 97 GLN : amide:sc= -0.142 X(o=-0.14,f=-0.006) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.0621 X(o=-0.062,f=0) USER MOD Single : A 106 ASN : amide:sc= -10.6! C(o=-11!,f=-19!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0.0269 USER MOD Single : A 116 LYS NZ :NH3+ 147:sc= -0.0841 (180deg=-0.647) USER MOD Single : A 117 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.484) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.093 -14.119 -11.690 1.00 0.00 N ATOM 2 CA MET A 1 -5.038 -14.829 -12.535 1.00 0.00 C ATOM 3 C MET A 1 -4.312 -15.758 -13.510 1.00 0.00 C ATOM 4 O MET A 1 -4.042 -16.914 -13.187 1.00 0.00 O ATOM 5 CB MET A 1 -5.878 -13.820 -13.321 1.00 0.00 C ATOM 6 CG MET A 1 -5.079 -12.546 -13.606 1.00 0.00 C ATOM 7 SD MET A 1 -5.263 -11.396 -12.254 1.00 0.00 S ATOM 8 CE MET A 1 -6.444 -10.264 -12.968 1.00 0.00 C ATOM 0 H1 MET A 1 -4.451 -13.162 -11.497 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.976 -14.632 -10.793 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.175 -14.054 -12.174 1.00 0.00 H new ATOM 0 HA MET A 1 -5.683 -15.434 -11.898 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.205 -14.267 -14.260 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.777 -13.571 -12.757 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.026 -12.791 -13.746 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.426 -12.089 -14.533 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.141 -9.239 -12.754 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.484 -10.413 -14.047 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.429 -10.448 -12.539 1.00 0.00 H new ATOM 18 N SER A 2 -4.017 -15.219 -14.684 1.00 0.00 N ATOM 19 CA SER A 2 -3.329 -15.985 -15.707 1.00 0.00 C ATOM 20 C SER A 2 -2.000 -16.512 -15.161 1.00 0.00 C ATOM 21 O SER A 2 -1.609 -17.642 -15.453 1.00 0.00 O ATOM 22 CB SER A 2 -3.089 -15.141 -16.961 1.00 0.00 C ATOM 23 OG SER A 2 -2.480 -13.890 -16.653 1.00 0.00 O ATOM 0 H SER A 2 -4.243 -14.260 -14.949 1.00 0.00 H new ATOM 0 HA SER A 2 -3.961 -16.828 -15.985 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.454 -15.693 -17.654 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.038 -14.967 -17.468 1.00 0.00 H new ATOM 0 HG SER A 2 -2.342 -13.381 -17.479 1.00 0.00 H new ATOM 29 N LEU A 3 -1.342 -15.668 -14.380 1.00 0.00 N ATOM 30 CA LEU A 3 -0.065 -16.035 -13.790 1.00 0.00 C ATOM 31 C LEU A 3 0.040 -15.426 -12.390 1.00 0.00 C ATOM 32 O LEU A 3 -0.961 -14.993 -11.822 1.00 0.00 O ATOM 33 CB LEU A 3 1.086 -15.644 -14.718 1.00 0.00 C ATOM 34 CG LEU A 3 1.383 -14.146 -14.824 1.00 0.00 C ATOM 35 CD1 LEU A 3 2.677 -13.791 -14.090 1.00 0.00 C ATOM 36 CD2 LEU A 3 1.411 -13.694 -16.286 1.00 0.00 C ATOM 0 H LEU A 3 -1.669 -14.732 -14.142 1.00 0.00 H new ATOM 0 HA LEU A 3 0.003 -17.117 -13.673 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.989 -16.150 -14.377 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.866 -16.022 -15.716 1.00 0.00 H new ATOM 0 HG LEU A 3 0.575 -13.602 -14.335 1.00 0.00 H new ATOM 0 HD11 LEU A 3 2.865 -12.721 -14.181 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.582 -14.055 -13.037 1.00 0.00 H new ATOM 0 HD13 LEU A 3 3.508 -14.344 -14.529 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.624 -12.626 -16.333 1.00 0.00 H new ATOM 0 HD22 LEU A 3 2.186 -14.242 -16.822 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.443 -13.891 -16.746 1.00 0.00 H new ATOM 48 N ALA A 4 1.260 -15.411 -11.875 1.00 0.00 N ATOM 49 CA ALA A 4 1.509 -14.862 -10.554 1.00 0.00 C ATOM 50 C ALA A 4 0.941 -13.443 -10.481 1.00 0.00 C ATOM 51 O ALA A 4 0.683 -12.929 -9.393 1.00 0.00 O ATOM 52 CB ALA A 4 3.008 -14.907 -10.255 1.00 0.00 C ATOM 0 H ALA A 4 2.088 -15.771 -12.350 1.00 0.00 H new ATOM 0 HA ALA A 4 1.008 -15.457 -9.791 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.194 -14.495 -9.263 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.355 -15.940 -10.289 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.545 -14.319 -10.999 1.00 0.00 H new ATOM 58 N GLU A 5 0.763 -12.850 -11.652 1.00 0.00 N ATOM 59 CA GLU A 5 0.231 -11.500 -11.735 1.00 0.00 C ATOM 60 C GLU A 5 -0.721 -11.233 -10.567 1.00 0.00 C ATOM 61 O GLU A 5 -0.409 -10.444 -9.676 1.00 0.00 O ATOM 62 CB GLU A 5 -0.468 -11.268 -13.076 1.00 0.00 C ATOM 63 CG GLU A 5 -0.303 -9.818 -13.536 1.00 0.00 C ATOM 64 CD GLU A 5 0.810 -9.697 -14.579 1.00 0.00 C ATOM 65 OE1 GLU A 5 1.986 -9.683 -14.154 1.00 0.00 O ATOM 66 OE2 GLU A 5 0.460 -9.619 -15.776 1.00 0.00 O ATOM 0 H GLU A 5 0.978 -13.280 -12.552 1.00 0.00 H new ATOM 0 HA GLU A 5 1.062 -10.798 -11.670 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.054 -11.941 -13.827 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -1.528 -11.506 -12.984 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -1.241 -9.457 -13.957 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -0.074 -9.185 -12.679 1.00 0.00 H new ATOM 73 N LYS A 6 -1.862 -11.905 -10.609 1.00 0.00 N ATOM 74 CA LYS A 6 -2.861 -11.748 -9.566 1.00 0.00 C ATOM 75 C LYS A 6 -2.840 -10.305 -9.057 1.00 0.00 C ATOM 76 O LYS A 6 -2.629 -10.066 -7.868 1.00 0.00 O ATOM 77 CB LYS A 6 -2.654 -12.791 -8.466 1.00 0.00 C ATOM 78 CG LYS A 6 -1.597 -12.327 -7.461 1.00 0.00 C ATOM 79 CD LYS A 6 -0.749 -13.504 -6.975 1.00 0.00 C ATOM 80 CE LYS A 6 0.693 -13.068 -6.711 1.00 0.00 C ATOM 81 NZ LYS A 6 1.634 -14.167 -7.022 1.00 0.00 N ATOM 0 H LYS A 6 -2.117 -12.559 -11.349 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.859 -11.931 -9.964 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.597 -12.972 -7.950 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.347 -13.738 -8.911 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.955 -11.578 -7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.083 -11.849 -6.611 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.181 -13.916 -6.063 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.762 -14.299 -7.721 1.00 0.00 H new ATOM 0 HE2 LYS A 6 0.932 -12.195 -7.318 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.804 -12.771 -5.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 2.525 -13.770 -7.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.823 -14.717 -6.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.216 -14.788 -7.744 1.00 0.00 H new ATOM 95 N ILE A 7 -3.061 -9.382 -9.981 1.00 0.00 N ATOM 96 CA ILE A 7 -3.069 -7.969 -9.641 1.00 0.00 C ATOM 97 C ILE A 7 -4.235 -7.686 -8.690 1.00 0.00 C ATOM 98 O ILE A 7 -5.382 -8.005 -8.996 1.00 0.00 O ATOM 99 CB ILE A 7 -3.088 -7.114 -10.908 1.00 0.00 C ATOM 100 CG1 ILE A 7 -2.284 -7.776 -12.029 1.00 0.00 C ATOM 101 CG2 ILE A 7 -2.600 -5.693 -10.618 1.00 0.00 C ATOM 102 CD1 ILE A 7 -3.209 -8.473 -13.030 1.00 0.00 C ATOM 0 H ILE A 7 -3.236 -9.585 -10.965 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.154 -7.697 -9.115 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.119 -7.038 -11.252 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.685 -7.025 -12.544 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.590 -8.501 -11.604 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.623 -5.106 -11.536 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.249 -5.230 -9.875 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.580 -5.729 -10.237 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.612 -8.935 -13.816 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.789 -9.240 -12.517 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.886 -7.741 -13.471 1.00 0.00 H new ATOM 114 N LYS A 8 -3.899 -7.089 -7.556 1.00 0.00 N ATOM 115 CA LYS A 8 -4.902 -6.758 -6.559 1.00 0.00 C ATOM 116 C LYS A 8 -4.427 -5.554 -5.744 1.00 0.00 C ATOM 117 O LYS A 8 -3.245 -5.443 -5.426 1.00 0.00 O ATOM 118 CB LYS A 8 -5.236 -7.985 -5.708 1.00 0.00 C ATOM 119 CG LYS A 8 -6.661 -8.471 -5.982 1.00 0.00 C ATOM 120 CD LYS A 8 -7.692 -7.519 -5.373 1.00 0.00 C ATOM 121 CE LYS A 8 -7.609 -7.525 -3.845 1.00 0.00 C ATOM 122 NZ LYS A 8 -8.858 -8.061 -3.260 1.00 0.00 N ATOM 0 H LYS A 8 -2.946 -6.826 -7.306 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.836 -6.468 -7.040 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.527 -8.785 -5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.129 -7.739 -4.651 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -6.822 -8.548 -7.057 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.794 -9.470 -5.568 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.524 -6.509 -5.746 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.694 -7.812 -5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.761 -8.130 -3.523 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.435 -6.513 -3.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.778 -8.074 -2.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -9.658 -7.458 -3.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -9.017 -9.029 -3.607 1.00 0.00 H new ATOM 136 N VAL A 9 -5.374 -4.682 -5.428 1.00 0.00 N ATOM 137 CA VAL A 9 -5.068 -3.491 -4.656 1.00 0.00 C ATOM 138 C VAL A 9 -5.978 -3.435 -3.428 1.00 0.00 C ATOM 139 O VAL A 9 -7.192 -3.602 -3.542 1.00 0.00 O ATOM 140 CB VAL A 9 -5.184 -2.249 -5.542 1.00 0.00 C ATOM 141 CG1 VAL A 9 -3.806 -1.788 -6.023 1.00 0.00 C ATOM 142 CG2 VAL A 9 -6.120 -2.504 -6.724 1.00 0.00 C ATOM 0 H VAL A 9 -6.354 -4.778 -5.693 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.039 -3.524 -4.297 1.00 0.00 H new ATOM 0 HB VAL A 9 -5.614 -1.448 -4.941 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.917 -0.904 -6.651 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.182 -1.546 -5.162 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.336 -2.585 -6.599 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.185 -1.605 -7.337 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.732 -3.326 -7.325 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.112 -2.762 -6.353 1.00 0.00 H new ATOM 152 N LEU A 10 -5.358 -3.203 -2.280 1.00 0.00 N ATOM 153 CA LEU A 10 -6.097 -3.124 -1.032 1.00 0.00 C ATOM 154 C LEU A 10 -6.034 -1.692 -0.497 1.00 0.00 C ATOM 155 O LEU A 10 -4.950 -1.160 -0.264 1.00 0.00 O ATOM 156 CB LEU A 10 -5.590 -4.174 -0.041 1.00 0.00 C ATOM 157 CG LEU A 10 -5.474 -3.721 1.416 1.00 0.00 C ATOM 158 CD1 LEU A 10 -4.213 -2.883 1.631 1.00 0.00 C ATOM 159 CD2 LEU A 10 -6.738 -2.981 1.861 1.00 0.00 C ATOM 0 H LEU A 10 -4.351 -3.067 -2.188 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.149 -3.357 -1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.258 -5.035 -0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.610 -4.515 -0.374 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.381 -4.607 2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.155 -2.574 2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.334 -3.477 1.379 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.250 -2.000 0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.630 -2.669 2.900 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.886 -2.103 1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.599 -3.643 1.768 1.00 0.00 H new ATOM 171 N ILE A 11 -7.210 -1.110 -0.316 1.00 0.00 N ATOM 172 CA ILE A 11 -7.302 0.251 0.188 1.00 0.00 C ATOM 173 C ILE A 11 -8.013 0.241 1.543 1.00 0.00 C ATOM 174 O ILE A 11 -9.237 0.345 1.606 1.00 0.00 O ATOM 175 CB ILE A 11 -7.963 1.163 -0.848 1.00 0.00 C ATOM 176 CG1 ILE A 11 -9.291 0.574 -1.327 1.00 0.00 C ATOM 177 CG2 ILE A 11 -7.011 1.453 -2.009 1.00 0.00 C ATOM 178 CD1 ILE A 11 -9.066 -0.451 -2.441 1.00 0.00 C ATOM 0 H ILE A 11 -8.107 -1.555 -0.509 1.00 0.00 H new ATOM 0 HA ILE A 11 -6.307 0.665 0.353 1.00 0.00 H new ATOM 0 HB ILE A 11 -8.188 2.117 -0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -9.806 0.101 -0.491 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -9.938 1.373 -1.688 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -7.505 2.103 -2.731 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.115 1.946 -1.631 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -6.733 0.517 -2.494 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.026 -0.854 -2.764 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -8.573 0.031 -3.285 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -8.439 -1.261 -2.069 1.00 0.00 H new ATOM 190 N VAL A 12 -7.216 0.114 2.593 1.00 0.00 N ATOM 191 CA VAL A 12 -7.755 0.089 3.942 1.00 0.00 C ATOM 192 C VAL A 12 -7.065 1.167 4.782 1.00 0.00 C ATOM 193 O VAL A 12 -5.851 1.344 4.696 1.00 0.00 O ATOM 194 CB VAL A 12 -7.613 -1.313 4.537 1.00 0.00 C ATOM 195 CG1 VAL A 12 -6.172 -1.578 4.979 1.00 0.00 C ATOM 196 CG2 VAL A 12 -8.588 -1.518 5.697 1.00 0.00 C ATOM 0 H VAL A 12 -6.201 0.027 2.537 1.00 0.00 H new ATOM 0 HA VAL A 12 -8.821 0.317 3.931 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.863 -2.034 3.758 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -6.099 -2.581 5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.507 -1.494 4.120 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.883 -0.847 5.734 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.466 -2.523 6.102 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.384 -0.785 6.478 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.610 -1.392 5.340 1.00 0.00 H new ATOM 206 N ASP A 13 -7.870 1.859 5.575 1.00 0.00 N ATOM 207 CA ASP A 13 -7.353 2.915 6.429 1.00 0.00 C ATOM 208 C ASP A 13 -8.181 2.977 7.713 1.00 0.00 C ATOM 209 O ASP A 13 -9.211 2.314 7.825 1.00 0.00 O ATOM 210 CB ASP A 13 -7.445 4.277 5.738 1.00 0.00 C ATOM 211 CG ASP A 13 -6.898 4.318 4.311 1.00 0.00 C ATOM 212 OD1 ASP A 13 -7.249 3.397 3.542 1.00 0.00 O ATOM 213 OD2 ASP A 13 -6.140 5.269 4.021 1.00 0.00 O ATOM 0 H ASP A 13 -8.877 1.709 5.644 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.308 2.692 6.647 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.490 4.588 5.719 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.905 5.009 6.339 1.00 0.00 H new ATOM 218 N ASP A 14 -7.699 3.781 8.652 1.00 0.00 N ATOM 219 CA ASP A 14 -8.383 3.939 9.923 1.00 0.00 C ATOM 220 C ASP A 14 -9.560 4.901 9.750 1.00 0.00 C ATOM 221 O ASP A 14 -10.381 5.053 10.653 1.00 0.00 O ATOM 222 CB ASP A 14 -7.447 4.524 10.983 1.00 0.00 C ATOM 223 CG ASP A 14 -7.708 4.043 12.412 1.00 0.00 C ATOM 224 OD1 ASP A 14 -8.868 3.665 12.681 1.00 0.00 O ATOM 225 OD2 ASP A 14 -6.741 4.067 13.204 1.00 0.00 O ATOM 0 H ASP A 14 -6.844 4.329 8.556 1.00 0.00 H new ATOM 0 HA ASP A 14 -8.725 2.955 10.245 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.420 4.278 10.715 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.531 5.611 10.960 1.00 0.00 H new ATOM 230 N GLN A 15 -9.605 5.525 8.582 1.00 0.00 N ATOM 231 CA GLN A 15 -10.668 6.467 8.277 1.00 0.00 C ATOM 232 C GLN A 15 -10.972 6.459 6.778 1.00 0.00 C ATOM 233 O GLN A 15 -10.059 6.512 5.956 1.00 0.00 O ATOM 234 CB GLN A 15 -10.305 7.875 8.755 1.00 0.00 C ATOM 235 CG GLN A 15 -11.540 8.611 9.281 1.00 0.00 C ATOM 236 CD GLN A 15 -11.151 9.945 9.921 1.00 0.00 C ATOM 237 OE1 GLN A 15 -10.947 10.947 9.255 1.00 0.00 O ATOM 238 NE2 GLN A 15 -11.060 9.902 11.247 1.00 0.00 N ATOM 0 H GLN A 15 -8.922 5.396 7.835 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.566 6.157 8.811 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.552 7.813 9.541 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.863 8.439 7.934 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.239 8.786 8.463 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.055 7.989 10.013 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.244 9.030 11.743 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -10.806 10.741 11.768 1.00 0.00 H new ATOM 247 N VAL A 16 -12.258 6.391 6.468 1.00 0.00 N ATOM 248 CA VAL A 16 -12.695 6.375 5.082 1.00 0.00 C ATOM 249 C VAL A 16 -12.036 7.535 4.331 1.00 0.00 C ATOM 250 O VAL A 16 -11.433 7.333 3.278 1.00 0.00 O ATOM 251 CB VAL A 16 -14.222 6.410 5.014 1.00 0.00 C ATOM 252 CG1 VAL A 16 -14.803 4.994 4.989 1.00 0.00 C ATOM 253 CG2 VAL A 16 -14.805 7.220 6.174 1.00 0.00 C ATOM 0 H VAL A 16 -13.012 6.346 7.153 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.383 5.452 4.594 1.00 0.00 H new ATOM 0 HB VAL A 16 -14.504 6.905 4.085 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.891 5.048 4.941 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.427 4.462 4.115 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.506 4.463 5.893 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -15.893 7.229 6.101 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.508 6.767 7.120 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -14.430 8.243 6.128 1.00 0.00 H new ATOM 263 N THR A 17 -12.175 8.722 4.902 1.00 0.00 N ATOM 264 CA THR A 17 -11.601 9.913 4.300 1.00 0.00 C ATOM 265 C THR A 17 -10.215 9.607 3.730 1.00 0.00 C ATOM 266 O THR A 17 -9.946 9.877 2.560 1.00 0.00 O ATOM 267 CB THR A 17 -11.593 11.020 5.356 1.00 0.00 C ATOM 268 OG1 THR A 17 -10.801 10.486 6.413 1.00 0.00 O ATOM 269 CG2 THR A 17 -12.969 11.233 5.991 1.00 0.00 C ATOM 0 H THR A 17 -12.677 8.885 5.775 1.00 0.00 H new ATOM 0 HA THR A 17 -12.197 10.255 3.454 1.00 0.00 H new ATOM 0 HB THR A 17 -11.255 11.952 4.903 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.121 10.836 7.271 1.00 0.00 H new ATOM 0 HG21 THR A 17 -12.908 12.029 6.733 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.687 11.511 5.219 1.00 0.00 H new ATOM 0 HG23 THR A 17 -13.294 10.311 6.474 1.00 0.00 H new ATOM 277 N SER A 18 -9.369 9.048 4.583 1.00 0.00 N ATOM 278 CA SER A 18 -8.016 8.703 4.179 1.00 0.00 C ATOM 279 C SER A 18 -8.054 7.622 3.096 1.00 0.00 C ATOM 280 O SER A 18 -7.449 7.778 2.037 1.00 0.00 O ATOM 281 CB SER A 18 -7.189 8.228 5.375 1.00 0.00 C ATOM 282 OG SER A 18 -6.866 9.299 6.259 1.00 0.00 O ATOM 0 H SER A 18 -9.594 8.825 5.553 1.00 0.00 H new ATOM 0 HA SER A 18 -7.540 9.597 3.775 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.744 7.464 5.919 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.270 7.762 5.019 1.00 0.00 H new ATOM 0 HG SER A 18 -6.339 8.955 7.011 1.00 0.00 H new ATOM 288 N ARG A 19 -8.770 6.549 3.401 1.00 0.00 N ATOM 289 CA ARG A 19 -8.893 5.443 2.467 1.00 0.00 C ATOM 290 C ARG A 19 -9.622 5.895 1.200 1.00 0.00 C ATOM 291 O ARG A 19 -9.013 6.019 0.140 1.00 0.00 O ATOM 292 CB ARG A 19 -9.655 4.275 3.096 1.00 0.00 C ATOM 293 CG ARG A 19 -9.576 3.029 2.210 1.00 0.00 C ATOM 294 CD ARG A 19 -10.818 2.907 1.324 1.00 0.00 C ATOM 295 NE ARG A 19 -12.031 2.803 2.165 1.00 0.00 N ATOM 296 CZ ARG A 19 -12.319 1.749 2.941 1.00 0.00 C ATOM 297 NH1 ARG A 19 -11.484 0.703 2.988 1.00 0.00 N ATOM 298 NH2 ARG A 19 -13.444 1.741 3.670 1.00 0.00 N ATOM 0 H ARG A 19 -9.270 6.423 4.281 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.887 5.111 2.211 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.241 4.053 4.080 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.698 4.554 3.245 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -8.683 3.078 1.586 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.481 2.140 2.834 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.894 3.774 0.668 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -10.733 2.029 0.683 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.689 3.582 2.153 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.628 0.708 2.433 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.704 -0.099 3.579 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.081 2.537 3.634 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.663 0.939 4.261 1.00 0.00 H new ATOM 312 N LEU A 20 -10.917 6.131 1.354 1.00 0.00 N ATOM 313 CA LEU A 20 -11.735 6.569 0.236 1.00 0.00 C ATOM 314 C LEU A 20 -10.949 7.577 -0.603 1.00 0.00 C ATOM 315 O LEU A 20 -11.129 7.655 -1.818 1.00 0.00 O ATOM 316 CB LEU A 20 -13.082 7.099 0.733 1.00 0.00 C ATOM 317 CG LEU A 20 -13.380 8.567 0.423 1.00 0.00 C ATOM 318 CD1 LEU A 20 -14.774 8.959 0.916 1.00 0.00 C ATOM 319 CD2 LEU A 20 -12.292 9.479 0.993 1.00 0.00 C ATOM 0 H LEU A 20 -11.419 6.027 2.236 1.00 0.00 H new ATOM 0 HA LEU A 20 -11.970 5.728 -0.416 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.873 6.488 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -13.129 6.959 1.813 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.374 8.696 -0.659 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -14.961 10.007 0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.522 8.339 0.422 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -14.834 8.811 1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.528 10.517 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.242 9.353 2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.330 9.217 0.552 1.00 0.00 H new ATOM 331 N LEU A 21 -10.093 8.326 0.078 1.00 0.00 N ATOM 332 CA LEU A 21 -9.277 9.326 -0.589 1.00 0.00 C ATOM 333 C LEU A 21 -8.287 8.630 -1.525 1.00 0.00 C ATOM 334 O LEU A 21 -8.199 8.969 -2.703 1.00 0.00 O ATOM 335 CB LEU A 21 -8.614 10.247 0.436 1.00 0.00 C ATOM 336 CG LEU A 21 -9.404 11.498 0.827 1.00 0.00 C ATOM 337 CD1 LEU A 21 -8.906 12.067 2.157 1.00 0.00 C ATOM 338 CD2 LEU A 21 -9.370 12.540 -0.292 1.00 0.00 C ATOM 0 H LEU A 21 -9.947 8.260 1.085 1.00 0.00 H new ATOM 0 HA LEU A 21 -9.898 9.973 -1.208 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.417 9.670 1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -7.648 10.561 0.041 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.447 11.213 0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.484 12.955 2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -9.026 11.319 2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -7.853 12.333 2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -9.939 13.419 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -8.337 12.827 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -9.809 12.118 -1.196 1.00 0.00 H new ATOM 350 N LEU A 22 -7.567 7.671 -0.963 1.00 0.00 N ATOM 351 CA LEU A 22 -6.586 6.924 -1.732 1.00 0.00 C ATOM 352 C LEU A 22 -7.308 6.014 -2.727 1.00 0.00 C ATOM 353 O LEU A 22 -6.934 5.948 -3.896 1.00 0.00 O ATOM 354 CB LEU A 22 -5.629 6.178 -0.799 1.00 0.00 C ATOM 355 CG LEU A 22 -6.281 5.243 0.222 1.00 0.00 C ATOM 356 CD1 LEU A 22 -6.858 4.002 -0.462 1.00 0.00 C ATOM 357 CD2 LEU A 22 -5.299 4.879 1.336 1.00 0.00 C ATOM 0 H LEU A 22 -7.643 7.394 0.016 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.963 7.602 -2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.940 5.594 -1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.032 6.913 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.114 5.771 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.315 3.354 0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.611 4.305 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.059 3.462 -0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.787 4.214 2.048 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.432 4.378 0.907 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.977 5.786 1.848 1.00 0.00 H new ATOM 369 N GLY A 23 -8.331 5.338 -2.226 1.00 0.00 N ATOM 370 CA GLY A 23 -9.110 4.435 -3.057 1.00 0.00 C ATOM 371 C GLY A 23 -9.696 5.170 -4.264 1.00 0.00 C ATOM 372 O GLY A 23 -9.880 4.577 -5.326 1.00 0.00 O ATOM 0 H GLY A 23 -8.639 5.397 -1.255 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.480 3.613 -3.398 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.915 3.996 -2.468 1.00 0.00 H new ATOM 376 N ASP A 24 -9.973 6.449 -4.060 1.00 0.00 N ATOM 377 CA ASP A 24 -10.535 7.271 -5.120 1.00 0.00 C ATOM 378 C ASP A 24 -9.435 7.627 -6.122 1.00 0.00 C ATOM 379 O ASP A 24 -9.626 7.500 -7.329 1.00 0.00 O ATOM 380 CB ASP A 24 -11.106 8.576 -4.560 1.00 0.00 C ATOM 381 CG ASP A 24 -12.616 8.571 -4.320 1.00 0.00 C ATOM 382 OD1 ASP A 24 -13.106 7.540 -3.809 1.00 0.00 O ATOM 383 OD2 ASP A 24 -13.247 9.598 -4.651 1.00 0.00 O ATOM 0 H ASP A 24 -9.819 6.937 -3.178 1.00 0.00 H new ATOM 0 HA ASP A 24 -11.333 6.704 -5.599 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -10.605 8.800 -3.618 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.866 9.385 -5.249 1.00 0.00 H new ATOM 388 N ALA A 25 -8.307 8.065 -5.581 1.00 0.00 N ATOM 389 CA ALA A 25 -7.175 8.439 -6.413 1.00 0.00 C ATOM 390 C ALA A 25 -6.611 7.190 -7.091 1.00 0.00 C ATOM 391 O ALA A 25 -6.367 7.190 -8.297 1.00 0.00 O ATOM 392 CB ALA A 25 -6.131 9.161 -5.559 1.00 0.00 C ATOM 0 H ALA A 25 -8.153 8.169 -4.578 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.487 9.127 -7.198 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.282 9.442 -6.182 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.574 10.057 -5.124 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.793 8.499 -4.762 1.00 0.00 H new ATOM 398 N LEU A 26 -6.418 6.154 -6.287 1.00 0.00 N ATOM 399 CA LEU A 26 -5.886 4.901 -6.796 1.00 0.00 C ATOM 400 C LEU A 26 -6.761 4.413 -7.952 1.00 0.00 C ATOM 401 O LEU A 26 -6.255 4.095 -9.027 1.00 0.00 O ATOM 402 CB LEU A 26 -5.739 3.884 -5.663 1.00 0.00 C ATOM 403 CG LEU A 26 -4.451 3.975 -4.843 1.00 0.00 C ATOM 404 CD1 LEU A 26 -3.242 4.223 -5.746 1.00 0.00 C ATOM 405 CD2 LEU A 26 -4.573 5.033 -3.745 1.00 0.00 C ATOM 0 H LEU A 26 -6.620 6.157 -5.287 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.882 5.046 -7.196 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.586 3.999 -4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.805 2.883 -6.089 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.293 3.016 -4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.340 4.283 -5.137 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.145 3.403 -6.458 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.378 5.159 -6.287 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.644 5.077 -3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.769 6.005 -4.197 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.394 4.772 -3.077 1.00 0.00 H new ATOM 417 N GLN A 27 -8.059 4.367 -7.691 1.00 0.00 N ATOM 418 CA GLN A 27 -9.010 3.923 -8.696 1.00 0.00 C ATOM 419 C GLN A 27 -8.957 4.840 -9.920 1.00 0.00 C ATOM 420 O GLN A 27 -9.167 4.392 -11.046 1.00 0.00 O ATOM 421 CB GLN A 27 -10.426 3.857 -8.122 1.00 0.00 C ATOM 422 CG GLN A 27 -11.005 5.260 -7.929 1.00 0.00 C ATOM 423 CD GLN A 27 -12.530 5.212 -7.801 1.00 0.00 C ATOM 424 OE1 GLN A 27 -13.265 5.526 -8.722 1.00 0.00 O ATOM 425 NE2 GLN A 27 -12.960 4.802 -6.611 1.00 0.00 N ATOM 0 H GLN A 27 -8.475 4.630 -6.797 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.733 2.916 -9.008 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -11.067 3.284 -8.792 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.411 3.331 -7.167 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.576 5.715 -7.036 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.727 5.891 -8.773 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.289 4.554 -5.884 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.961 4.735 -6.426 1.00 0.00 H new ATOM 434 N GLN A 28 -8.675 6.107 -9.658 1.00 0.00 N ATOM 435 CA GLN A 28 -8.591 7.091 -10.723 1.00 0.00 C ATOM 436 C GLN A 28 -7.282 6.925 -11.499 1.00 0.00 C ATOM 437 O GLN A 28 -7.118 7.495 -12.576 1.00 0.00 O ATOM 438 CB GLN A 28 -8.722 8.512 -10.169 1.00 0.00 C ATOM 439 CG GLN A 28 -9.348 9.448 -11.205 1.00 0.00 C ATOM 440 CD GLN A 28 -8.498 10.708 -11.389 1.00 0.00 C ATOM 441 OE1 GLN A 28 -7.842 11.183 -10.477 1.00 0.00 O ATOM 442 NE2 GLN A 28 -8.550 11.221 -12.614 1.00 0.00 N ATOM 0 H GLN A 28 -8.502 6.475 -8.723 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.421 6.925 -11.409 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.334 8.500 -9.267 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.739 8.886 -9.882 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -9.446 8.928 -12.158 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.353 9.726 -10.889 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.120 10.772 -13.331 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.020 12.063 -12.837 1.00 0.00 H new ATOM 451 N LEU A 29 -6.385 6.140 -10.920 1.00 0.00 N ATOM 452 CA LEU A 29 -5.097 5.890 -11.544 1.00 0.00 C ATOM 453 C LEU A 29 -5.253 4.808 -12.614 1.00 0.00 C ATOM 454 O LEU A 29 -4.804 4.979 -13.746 1.00 0.00 O ATOM 455 CB LEU A 29 -4.044 5.560 -10.483 1.00 0.00 C ATOM 456 CG LEU A 29 -3.747 4.073 -10.275 1.00 0.00 C ATOM 457 CD1 LEU A 29 -2.824 3.539 -11.370 1.00 0.00 C ATOM 458 CD2 LEU A 29 -3.182 3.818 -8.875 1.00 0.00 C ATOM 0 H LEU A 29 -6.525 5.669 -10.026 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.738 6.787 -12.049 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.115 6.062 -10.753 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.370 5.982 -9.532 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.686 3.524 -10.350 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.629 2.480 -11.198 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.301 3.667 -12.342 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.883 4.088 -11.352 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.979 2.754 -8.753 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.257 4.380 -8.748 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.907 4.138 -8.126 1.00 0.00 H new ATOM 470 N GLY A 30 -5.892 3.717 -12.218 1.00 0.00 N ATOM 471 CA GLY A 30 -6.114 2.607 -13.129 1.00 0.00 C ATOM 472 C GLY A 30 -5.743 1.276 -12.472 1.00 0.00 C ATOM 473 O GLY A 30 -4.957 0.506 -13.022 1.00 0.00 O ATOM 0 H GLY A 30 -6.263 3.578 -11.278 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.160 2.587 -13.435 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.520 2.749 -14.032 1.00 0.00 H new ATOM 477 N PHE A 31 -6.325 1.047 -11.303 1.00 0.00 N ATOM 478 CA PHE A 31 -6.065 -0.178 -10.565 1.00 0.00 C ATOM 479 C PHE A 31 -6.806 -1.361 -11.190 1.00 0.00 C ATOM 480 O PHE A 31 -7.763 -1.174 -11.940 1.00 0.00 O ATOM 481 CB PHE A 31 -6.582 0.039 -9.143 1.00 0.00 C ATOM 482 CG PHE A 31 -5.501 0.455 -8.144 1.00 0.00 C ATOM 483 CD1 PHE A 31 -4.269 0.821 -8.589 1.00 0.00 C ATOM 484 CD2 PHE A 31 -5.771 0.460 -6.811 1.00 0.00 C ATOM 485 CE1 PHE A 31 -3.265 1.208 -7.661 1.00 0.00 C ATOM 486 CE2 PHE A 31 -4.768 0.846 -5.884 1.00 0.00 C ATOM 487 CZ PHE A 31 -3.535 1.212 -6.328 1.00 0.00 C ATOM 0 H PHE A 31 -6.975 1.689 -10.849 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.999 -0.403 -10.580 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.358 0.804 -9.162 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -7.050 -0.881 -8.793 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.054 0.817 -9.647 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.749 0.170 -6.458 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.287 1.499 -8.014 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -4.984 0.849 -4.826 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.772 1.505 -5.623 1.00 0.00 H new ATOM 497 N LYS A 32 -6.335 -2.555 -10.858 1.00 0.00 N ATOM 498 CA LYS A 32 -6.941 -3.769 -11.377 1.00 0.00 C ATOM 499 C LYS A 32 -8.201 -4.090 -10.570 1.00 0.00 C ATOM 500 O LYS A 32 -9.307 -4.081 -11.109 1.00 0.00 O ATOM 501 CB LYS A 32 -5.920 -4.909 -11.404 1.00 0.00 C ATOM 502 CG LYS A 32 -6.231 -5.898 -12.528 1.00 0.00 C ATOM 503 CD LYS A 32 -7.439 -6.767 -12.175 1.00 0.00 C ATOM 504 CE LYS A 32 -7.137 -7.665 -10.974 1.00 0.00 C ATOM 505 NZ LYS A 32 -8.178 -8.707 -10.831 1.00 0.00 N ATOM 0 H LYS A 32 -5.541 -2.707 -10.236 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.252 -3.627 -12.412 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.918 -4.501 -11.540 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.925 -5.429 -10.446 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.427 -5.354 -13.452 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.363 -6.532 -12.710 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -8.296 -6.131 -11.952 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.713 -7.381 -13.033 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.161 -8.133 -11.099 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.089 -7.064 -10.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.782 -9.527 -10.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.980 -8.325 -10.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.505 -9.003 -11.773 1.00 0.00 H new ATOM 519 N GLN A 33 -7.991 -4.367 -9.292 1.00 0.00 N ATOM 520 CA GLN A 33 -9.096 -4.691 -8.405 1.00 0.00 C ATOM 521 C GLN A 33 -8.913 -3.998 -7.053 1.00 0.00 C ATOM 522 O GLN A 33 -8.012 -4.345 -6.292 1.00 0.00 O ATOM 523 CB GLN A 33 -9.234 -6.205 -8.232 1.00 0.00 C ATOM 524 CG GLN A 33 -10.706 -6.623 -8.212 1.00 0.00 C ATOM 525 CD GLN A 33 -11.311 -6.565 -9.617 1.00 0.00 C ATOM 526 OE1 GLN A 33 -11.146 -7.460 -10.429 1.00 0.00 O ATOM 527 NE2 GLN A 33 -12.018 -5.464 -9.856 1.00 0.00 N ATOM 0 H GLN A 33 -7.072 -4.374 -8.849 1.00 0.00 H new ATOM 0 HA GLN A 33 -10.018 -4.325 -8.856 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.718 -6.716 -9.045 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.752 -6.514 -7.305 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.795 -7.634 -7.815 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.265 -5.968 -7.544 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.116 -4.754 -9.131 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.462 -5.330 -10.764 1.00 0.00 H new ATOM 536 N ILE A 34 -9.782 -3.032 -6.797 1.00 0.00 N ATOM 537 CA ILE A 34 -9.727 -2.288 -5.551 1.00 0.00 C ATOM 538 C ILE A 34 -10.486 -3.057 -4.468 1.00 0.00 C ATOM 539 O ILE A 34 -11.602 -3.521 -4.699 1.00 0.00 O ATOM 540 CB ILE A 34 -10.232 -0.858 -5.758 1.00 0.00 C ATOM 541 CG1 ILE A 34 -9.066 0.110 -5.970 1.00 0.00 C ATOM 542 CG2 ILE A 34 -11.135 -0.423 -4.601 1.00 0.00 C ATOM 543 CD1 ILE A 34 -9.537 1.563 -5.882 1.00 0.00 C ATOM 0 H ILE A 34 -10.528 -2.747 -7.431 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.696 -2.192 -5.211 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.837 -0.837 -6.665 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.296 -0.073 -5.220 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.611 -0.070 -6.944 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.480 0.597 -4.772 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.994 -1.091 -4.539 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.575 -0.464 -3.667 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.689 2.230 -6.036 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -10.289 1.749 -6.649 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.969 1.747 -4.898 1.00 0.00 H new ATOM 555 N THR A 35 -9.852 -3.169 -3.310 1.00 0.00 N ATOM 556 CA THR A 35 -10.454 -3.874 -2.192 1.00 0.00 C ATOM 557 C THR A 35 -10.236 -3.097 -0.892 1.00 0.00 C ATOM 558 O THR A 35 -9.107 -2.977 -0.418 1.00 0.00 O ATOM 559 CB THR A 35 -9.874 -5.290 -2.159 1.00 0.00 C ATOM 560 OG1 THR A 35 -11.004 -6.122 -1.913 1.00 0.00 O ATOM 561 CG2 THR A 35 -8.969 -5.523 -0.947 1.00 0.00 C ATOM 0 H THR A 35 -8.927 -2.783 -3.122 1.00 0.00 H new ATOM 0 HA THR A 35 -11.535 -3.953 -2.309 1.00 0.00 H new ATOM 0 HB THR A 35 -9.311 -5.473 -3.074 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.703 -7.034 -1.719 1.00 0.00 H new ATOM 0 HG21 THR A 35 -8.584 -6.542 -0.971 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.137 -4.820 -0.974 1.00 0.00 H new ATOM 0 HG23 THR A 35 -9.541 -5.373 -0.031 1.00 0.00 H new ATOM 569 N ALA A 36 -11.335 -2.590 -0.352 1.00 0.00 N ATOM 570 CA ALA A 36 -11.278 -1.828 0.883 1.00 0.00 C ATOM 571 C ALA A 36 -11.614 -2.746 2.060 1.00 0.00 C ATOM 572 O ALA A 36 -12.358 -3.714 1.904 1.00 0.00 O ATOM 573 CB ALA A 36 -12.225 -0.630 0.789 1.00 0.00 C ATOM 0 H ALA A 36 -12.270 -2.692 -0.748 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.274 -1.437 1.046 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.182 -0.058 1.716 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.925 0.006 -0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -13.244 -0.983 0.628 1.00 0.00 H new ATOM 579 N ALA A 37 -11.050 -2.412 3.211 1.00 0.00 N ATOM 580 CA ALA A 37 -11.282 -3.195 4.413 1.00 0.00 C ATOM 581 C ALA A 37 -11.474 -2.251 5.602 1.00 0.00 C ATOM 582 O ALA A 37 -11.457 -1.031 5.440 1.00 0.00 O ATOM 583 CB ALA A 37 -10.118 -4.165 4.622 1.00 0.00 C ATOM 0 H ALA A 37 -10.433 -1.610 3.337 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.190 -3.790 4.314 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -10.291 -4.753 5.524 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.041 -4.832 3.763 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.190 -3.603 4.728 1.00 0.00 H new ATOM 589 N GLY A 38 -11.652 -2.850 6.770 1.00 0.00 N ATOM 590 CA GLY A 38 -11.848 -2.079 7.985 1.00 0.00 C ATOM 591 C GLY A 38 -10.634 -1.192 8.272 1.00 0.00 C ATOM 592 O GLY A 38 -10.763 0.026 8.387 1.00 0.00 O ATOM 0 H GLY A 38 -11.665 -3.862 6.901 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -12.740 -1.460 7.888 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -12.017 -2.753 8.825 1.00 0.00 H new ATOM 596 N ASP A 39 -9.482 -1.838 8.382 1.00 0.00 N ATOM 597 CA ASP A 39 -8.247 -1.124 8.653 1.00 0.00 C ATOM 598 C ASP A 39 -7.102 -2.129 8.795 1.00 0.00 C ATOM 599 O ASP A 39 -7.336 -3.332 8.882 1.00 0.00 O ATOM 600 CB ASP A 39 -8.344 -0.332 9.960 1.00 0.00 C ATOM 601 CG ASP A 39 -9.414 -0.823 10.935 1.00 0.00 C ATOM 602 OD1 ASP A 39 -9.138 -1.831 11.622 1.00 0.00 O ATOM 603 OD2 ASP A 39 -10.487 -0.181 10.973 1.00 0.00 O ATOM 0 H ASP A 39 -9.379 -2.848 8.288 1.00 0.00 H new ATOM 0 HA ASP A 39 -8.067 -0.437 7.826 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.376 -0.365 10.460 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.544 0.712 9.720 1.00 0.00 H new ATOM 608 N GLY A 40 -5.889 -1.596 8.812 1.00 0.00 N ATOM 609 CA GLY A 40 -4.706 -2.432 8.941 1.00 0.00 C ATOM 610 C GLY A 40 -5.017 -3.882 8.568 1.00 0.00 C ATOM 611 O GLY A 40 -5.292 -4.185 7.408 1.00 0.00 O ATOM 0 H GLY A 40 -5.699 -0.596 8.739 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.914 -2.049 8.298 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.335 -2.388 9.965 1.00 0.00 H new ATOM 615 N GLU A 41 -4.964 -4.743 9.575 1.00 0.00 N ATOM 616 CA GLU A 41 -5.237 -6.155 9.367 1.00 0.00 C ATOM 617 C GLU A 41 -6.576 -6.337 8.649 1.00 0.00 C ATOM 618 O GLU A 41 -6.649 -7.020 7.628 1.00 0.00 O ATOM 619 CB GLU A 41 -5.219 -6.917 10.694 1.00 0.00 C ATOM 620 CG GLU A 41 -6.524 -6.708 11.464 1.00 0.00 C ATOM 621 CD GLU A 41 -6.514 -7.488 12.781 1.00 0.00 C ATOM 622 OE1 GLU A 41 -5.506 -8.188 13.018 1.00 0.00 O ATOM 623 OE2 GLU A 41 -7.515 -7.366 13.520 1.00 0.00 O ATOM 0 H GLU A 41 -4.736 -4.490 10.536 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.450 -6.569 8.736 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -5.070 -7.980 10.505 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.377 -6.580 11.299 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.665 -5.646 11.667 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.367 -7.030 10.853 1.00 0.00 H new ATOM 630 N GLN A 42 -7.602 -5.714 9.210 1.00 0.00 N ATOM 631 CA GLN A 42 -8.934 -5.800 8.636 1.00 0.00 C ATOM 632 C GLN A 42 -8.856 -5.784 7.108 1.00 0.00 C ATOM 633 O GLN A 42 -9.710 -6.354 6.433 1.00 0.00 O ATOM 634 CB GLN A 42 -9.827 -4.669 9.151 1.00 0.00 C ATOM 635 CG GLN A 42 -10.894 -5.204 10.107 1.00 0.00 C ATOM 636 CD GLN A 42 -12.214 -5.449 9.373 1.00 0.00 C ATOM 637 OE1 GLN A 42 -12.261 -5.616 8.166 1.00 0.00 O ATOM 638 NE2 GLN A 42 -13.280 -5.462 10.168 1.00 0.00 N ATOM 0 H GLN A 42 -7.538 -5.148 10.056 1.00 0.00 H new ATOM 0 HA GLN A 42 -9.382 -6.743 8.948 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.217 -3.923 9.662 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.306 -4.168 8.310 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -10.548 -6.133 10.561 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -11.051 -4.492 10.918 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -13.170 -5.315 11.171 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.208 -5.619 9.774 1.00 0.00 H new ATOM 647 N GLY A 43 -7.820 -5.124 6.608 1.00 0.00 N ATOM 648 CA GLY A 43 -7.619 -5.026 5.172 1.00 0.00 C ATOM 649 C GLY A 43 -6.426 -5.875 4.727 1.00 0.00 C ATOM 650 O GLY A 43 -6.512 -6.603 3.739 1.00 0.00 O ATOM 0 H GLY A 43 -7.112 -4.653 7.171 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.519 -5.355 4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.453 -3.985 4.894 1.00 0.00 H new ATOM 654 N MET A 44 -5.341 -5.754 5.478 1.00 0.00 N ATOM 655 CA MET A 44 -4.134 -6.501 5.173 1.00 0.00 C ATOM 656 C MET A 44 -4.421 -8.001 5.097 1.00 0.00 C ATOM 657 O MET A 44 -4.049 -8.660 4.127 1.00 0.00 O ATOM 658 CB MET A 44 -3.083 -6.236 6.254 1.00 0.00 C ATOM 659 CG MET A 44 -2.268 -7.496 6.546 1.00 0.00 C ATOM 660 SD MET A 44 -1.474 -8.072 5.055 1.00 0.00 S ATOM 661 CE MET A 44 -0.045 -8.879 5.754 1.00 0.00 C ATOM 0 H MET A 44 -5.273 -5.150 6.297 1.00 0.00 H new ATOM 0 HA MET A 44 -3.762 -6.173 4.203 1.00 0.00 H new ATOM 0 HB2 MET A 44 -2.418 -5.435 5.931 1.00 0.00 H new ATOM 0 HB3 MET A 44 -3.572 -5.896 7.166 1.00 0.00 H new ATOM 0 HG2 MET A 44 -1.518 -7.285 7.308 1.00 0.00 H new ATOM 0 HG3 MET A 44 -2.918 -8.275 6.945 1.00 0.00 H new ATOM 0 HE1 MET A 44 0.152 -9.804 5.212 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.820 -8.221 5.674 1.00 0.00 H new ATOM 0 HE3 MET A 44 -0.232 -9.106 6.804 1.00 0.00 H new ATOM 671 N LYS A 45 -5.080 -8.498 6.133 1.00 0.00 N ATOM 672 CA LYS A 45 -5.421 -9.909 6.197 1.00 0.00 C ATOM 673 C LYS A 45 -6.238 -10.288 4.959 1.00 0.00 C ATOM 674 O LYS A 45 -6.077 -11.379 4.415 1.00 0.00 O ATOM 675 CB LYS A 45 -6.123 -10.232 7.518 1.00 0.00 C ATOM 676 CG LYS A 45 -5.471 -9.482 8.682 1.00 0.00 C ATOM 677 CD LYS A 45 -5.143 -10.435 9.833 1.00 0.00 C ATOM 678 CE LYS A 45 -6.421 -10.949 10.500 1.00 0.00 C ATOM 679 NZ LYS A 45 -6.092 -11.892 11.592 1.00 0.00 N ATOM 0 H LYS A 45 -5.387 -7.948 6.936 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.518 -10.520 6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -7.177 -9.961 7.450 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.082 -11.305 7.703 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.559 -8.993 8.339 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.141 -8.697 9.034 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.560 -11.277 9.458 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.525 -9.922 10.570 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.994 -10.111 10.896 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.050 -11.445 9.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.970 -12.231 12.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.564 -12.700 11.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.510 -11.408 12.305 1.00 0.00 H new ATOM 693 N ILE A 46 -7.096 -9.365 4.550 1.00 0.00 N ATOM 694 CA ILE A 46 -7.938 -9.588 3.388 1.00 0.00 C ATOM 695 C ILE A 46 -7.053 -9.858 2.167 1.00 0.00 C ATOM 696 O ILE A 46 -7.334 -10.760 1.380 1.00 0.00 O ATOM 697 CB ILE A 46 -8.908 -8.421 3.196 1.00 0.00 C ATOM 698 CG1 ILE A 46 -10.246 -8.703 3.884 1.00 0.00 C ATOM 699 CG2 ILE A 46 -9.085 -8.092 1.713 1.00 0.00 C ATOM 700 CD1 ILE A 46 -10.035 -9.408 5.226 1.00 0.00 C ATOM 0 H ILE A 46 -7.226 -8.461 5.003 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.562 -10.470 3.534 1.00 0.00 H new ATOM 0 HB ILE A 46 -8.479 -7.539 3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -10.782 -7.767 4.041 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -10.868 -9.322 3.238 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -9.780 -7.259 1.606 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.121 -7.819 1.283 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.481 -8.964 1.192 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -11.001 -9.597 5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -9.520 -10.355 5.063 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -9.433 -8.775 5.879 1.00 0.00 H new ATOM 712 N MET A 47 -6.003 -9.060 2.050 1.00 0.00 N ATOM 713 CA MET A 47 -5.075 -9.201 0.940 1.00 0.00 C ATOM 714 C MET A 47 -4.301 -10.517 1.037 1.00 0.00 C ATOM 715 O MET A 47 -3.971 -11.124 0.019 1.00 0.00 O ATOM 716 CB MET A 47 -4.094 -8.028 0.943 1.00 0.00 C ATOM 717 CG MET A 47 -4.759 -6.755 0.416 1.00 0.00 C ATOM 718 SD MET A 47 -4.938 -6.849 -1.357 1.00 0.00 S ATOM 719 CE MET A 47 -3.400 -6.096 -1.865 1.00 0.00 C ATOM 0 H MET A 47 -5.773 -8.313 2.705 1.00 0.00 H new ATOM 0 HA MET A 47 -5.645 -9.205 0.011 1.00 0.00 H new ATOM 0 HB2 MET A 47 -3.727 -7.859 1.955 1.00 0.00 H new ATOM 0 HB3 MET A 47 -3.228 -8.272 0.327 1.00 0.00 H new ATOM 0 HG2 MET A 47 -5.736 -6.625 0.882 1.00 0.00 H new ATOM 0 HG3 MET A 47 -4.160 -5.884 0.684 1.00 0.00 H new ATOM 0 HE1 MET A 47 -3.204 -6.338 -2.910 1.00 0.00 H new ATOM 0 HE2 MET A 47 -3.469 -5.014 -1.750 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.587 -6.476 -1.246 1.00 0.00 H new ATOM 729 N ALA A 48 -4.031 -10.918 2.271 1.00 0.00 N ATOM 730 CA ALA A 48 -3.301 -12.150 2.514 1.00 0.00 C ATOM 731 C ALA A 48 -4.099 -13.329 1.954 1.00 0.00 C ATOM 732 O ALA A 48 -3.549 -14.179 1.255 1.00 0.00 O ATOM 733 CB ALA A 48 -3.023 -12.293 4.012 1.00 0.00 C ATOM 0 H ALA A 48 -4.305 -10.411 3.113 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.338 -12.132 2.005 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.475 -13.218 4.194 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.429 -11.446 4.354 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.967 -12.317 4.557 1.00 0.00 H new ATOM 739 N GLN A 49 -5.382 -13.343 2.283 1.00 0.00 N ATOM 740 CA GLN A 49 -6.261 -14.405 1.821 1.00 0.00 C ATOM 741 C GLN A 49 -6.388 -14.363 0.298 1.00 0.00 C ATOM 742 O GLN A 49 -5.985 -15.301 -0.389 1.00 0.00 O ATOM 743 CB GLN A 49 -7.634 -14.309 2.490 1.00 0.00 C ATOM 744 CG GLN A 49 -7.496 -14.138 4.003 1.00 0.00 C ATOM 745 CD GLN A 49 -7.850 -15.434 4.736 1.00 0.00 C ATOM 746 OE1 GLN A 49 -7.086 -16.385 4.774 1.00 0.00 O ATOM 747 NE2 GLN A 49 -9.048 -15.420 5.314 1.00 0.00 N ATOM 0 H GLN A 49 -5.834 -12.637 2.864 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.823 -15.362 2.102 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.187 -13.467 2.074 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.212 -15.208 2.273 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.475 -13.845 4.248 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.149 -13.334 4.343 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -9.638 -14.591 5.244 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.376 -16.238 5.827 1.00 0.00 H new ATOM 756 N ASN A 50 -6.952 -13.266 -0.187 1.00 0.00 N ATOM 757 CA ASN A 50 -7.138 -13.090 -1.618 1.00 0.00 C ATOM 758 C ASN A 50 -5.814 -12.657 -2.250 1.00 0.00 C ATOM 759 O ASN A 50 -4.792 -12.583 -1.570 1.00 0.00 O ATOM 760 CB ASN A 50 -8.179 -12.006 -1.908 1.00 0.00 C ATOM 761 CG ASN A 50 -9.061 -11.752 -0.685 1.00 0.00 C ATOM 762 OD1 ASN A 50 -9.303 -12.626 0.131 1.00 0.00 O ATOM 763 ND2 ASN A 50 -9.529 -10.509 -0.604 1.00 0.00 N ATOM 0 H ASN A 50 -7.286 -12.491 0.385 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.479 -14.038 -2.034 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -7.677 -11.083 -2.197 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.799 -12.309 -2.752 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.129 -10.240 0.176 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -9.288 -9.825 -1.322 1.00 0.00 H new ATOM 770 N PRO A 51 -5.878 -12.373 -3.579 1.00 0.00 N ATOM 771 CA PRO A 51 -4.696 -11.948 -4.311 1.00 0.00 C ATOM 772 C PRO A 51 -4.340 -10.497 -3.982 1.00 0.00 C ATOM 773 O PRO A 51 -5.226 -9.661 -3.810 1.00 0.00 O ATOM 774 CB PRO A 51 -5.045 -12.157 -5.775 1.00 0.00 C ATOM 775 CG PRO A 51 -6.561 -12.250 -5.835 1.00 0.00 C ATOM 776 CD PRO A 51 -7.071 -12.449 -4.416 1.00 0.00 C ATOM 0 HA PRO A 51 -3.806 -12.518 -4.042 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -4.680 -11.330 -6.385 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -4.583 -13.066 -6.160 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -6.982 -11.343 -6.269 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -6.868 -13.080 -6.471 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.795 -11.681 -4.144 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -7.571 -13.411 -4.306 1.00 0.00 H new ATOM 784 N HIS A 52 -3.042 -10.242 -3.906 1.00 0.00 N ATOM 785 CA HIS A 52 -2.558 -8.906 -3.602 1.00 0.00 C ATOM 786 C HIS A 52 -1.346 -8.588 -4.479 1.00 0.00 C ATOM 787 O HIS A 52 -0.532 -9.466 -4.763 1.00 0.00 O ATOM 788 CB HIS A 52 -2.264 -8.763 -2.107 1.00 0.00 C ATOM 789 CG HIS A 52 -1.460 -9.902 -1.528 1.00 0.00 C ATOM 790 ND1 HIS A 52 -1.830 -11.229 -1.669 1.00 0.00 N ATOM 791 CD2 HIS A 52 -0.303 -9.900 -0.805 1.00 0.00 C ATOM 792 CE1 HIS A 52 -0.930 -11.982 -1.055 1.00 0.00 C ATOM 793 NE2 HIS A 52 0.016 -11.157 -0.520 1.00 0.00 N ATOM 0 H HIS A 52 -2.310 -10.938 -4.050 1.00 0.00 H new ATOM 0 HA HIS A 52 -3.331 -8.173 -3.833 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.725 -7.830 -1.941 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.208 -8.687 -1.567 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.656 -11.569 -2.162 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.258 -9.024 -0.514 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.943 -13.060 -0.989 1.00 0.00 H new ATOM 802 N HIS A 53 -1.262 -7.329 -4.883 1.00 0.00 N ATOM 803 CA HIS A 53 -0.163 -6.883 -5.722 1.00 0.00 C ATOM 804 C HIS A 53 0.329 -5.517 -5.240 1.00 0.00 C ATOM 805 O HIS A 53 1.529 -5.245 -5.251 1.00 0.00 O ATOM 806 CB HIS A 53 -0.571 -6.881 -7.196 1.00 0.00 C ATOM 807 CG HIS A 53 0.594 -6.936 -8.155 1.00 0.00 C ATOM 808 ND1 HIS A 53 0.478 -7.416 -9.448 1.00 0.00 N ATOM 809 CD2 HIS A 53 1.897 -6.566 -7.997 1.00 0.00 C ATOM 810 CE1 HIS A 53 1.664 -7.334 -10.033 1.00 0.00 C ATOM 811 NE2 HIS A 53 2.543 -6.808 -9.132 1.00 0.00 N ATOM 0 H HIS A 53 -1.938 -6.603 -4.645 1.00 0.00 H new ATOM 0 HA HIS A 53 0.670 -7.580 -5.637 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.223 -7.734 -7.383 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -1.154 -5.983 -7.400 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.330 -6.147 -7.101 1.00 0.00 H new ATOM 0 HE1 HIS A 53 1.894 -7.631 -11.045 1.00 0.00 H new ATOM 0 HE2 HIS A 53 3.533 -6.630 -9.302 1.00 0.00 H new ATOM 820 N LEU A 54 -0.623 -4.692 -4.829 1.00 0.00 N ATOM 821 CA LEU A 54 -0.302 -3.360 -4.345 1.00 0.00 C ATOM 822 C LEU A 54 -1.232 -3.007 -3.182 1.00 0.00 C ATOM 823 O LEU A 54 -2.442 -2.881 -3.367 1.00 0.00 O ATOM 824 CB LEU A 54 -0.340 -2.349 -5.492 1.00 0.00 C ATOM 825 CG LEU A 54 0.171 -0.945 -5.165 1.00 0.00 C ATOM 826 CD1 LEU A 54 1.480 -0.652 -5.901 1.00 0.00 C ATOM 827 CD2 LEU A 54 -0.898 0.110 -5.458 1.00 0.00 C ATOM 0 H LEU A 54 -1.617 -4.920 -4.821 1.00 0.00 H new ATOM 0 HA LEU A 54 0.717 -3.330 -3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.249 -2.745 -6.319 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.368 -2.267 -5.844 1.00 0.00 H new ATOM 0 HG LEU A 54 0.384 -0.900 -4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.821 0.353 -5.651 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.236 -1.377 -5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.316 -0.722 -6.976 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.509 1.099 -5.217 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.166 0.073 -6.514 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.782 -0.090 -4.852 1.00 0.00 H new ATOM 839 N VAL A 55 -0.633 -2.857 -2.011 1.00 0.00 N ATOM 840 CA VAL A 55 -1.392 -2.521 -0.819 1.00 0.00 C ATOM 841 C VAL A 55 -1.297 -1.015 -0.566 1.00 0.00 C ATOM 842 O VAL A 55 -0.222 -0.429 -0.686 1.00 0.00 O ATOM 843 CB VAL A 55 -0.905 -3.358 0.366 1.00 0.00 C ATOM 844 CG1 VAL A 55 -1.221 -2.665 1.693 1.00 0.00 C ATOM 845 CG2 VAL A 55 -1.504 -4.765 0.326 1.00 0.00 C ATOM 0 H VAL A 55 0.371 -2.962 -1.862 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.446 -2.762 -0.958 1.00 0.00 H new ATOM 0 HB VAL A 55 0.178 -3.453 0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.865 -3.281 2.519 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.726 -1.695 1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.298 -2.525 1.783 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.142 -5.339 1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.591 -4.699 0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.206 -5.261 -0.598 1.00 0.00 H new ATOM 855 N ILE A 56 -2.434 -0.432 -0.219 1.00 0.00 N ATOM 856 CA ILE A 56 -2.493 0.995 0.051 1.00 0.00 C ATOM 857 C ILE A 56 -3.373 1.241 1.278 1.00 0.00 C ATOM 858 O ILE A 56 -4.558 0.911 1.271 1.00 0.00 O ATOM 859 CB ILE A 56 -2.946 1.759 -1.195 1.00 0.00 C ATOM 860 CG1 ILE A 56 -4.067 1.011 -1.918 1.00 0.00 C ATOM 861 CG2 ILE A 56 -1.762 2.050 -2.119 1.00 0.00 C ATOM 862 CD1 ILE A 56 -3.529 -0.232 -2.630 1.00 0.00 C ATOM 0 H ILE A 56 -3.323 -0.922 -0.118 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.501 1.379 0.288 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.352 2.720 -0.879 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.835 0.720 -1.202 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -4.541 1.673 -2.643 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.111 2.594 -2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.025 2.653 -1.588 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.305 1.111 -2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -4.347 -0.745 -3.136 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.779 0.065 -3.363 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.077 -0.903 -1.899 1.00 0.00 H new ATOM 874 N SER A 57 -2.761 1.821 2.299 1.00 0.00 N ATOM 875 CA SER A 57 -3.474 2.115 3.530 1.00 0.00 C ATOM 876 C SER A 57 -2.997 3.450 4.105 1.00 0.00 C ATOM 877 O SER A 57 -2.189 4.141 3.489 1.00 0.00 O ATOM 878 CB SER A 57 -3.287 0.997 4.558 1.00 0.00 C ATOM 879 OG SER A 57 -3.499 1.454 5.891 1.00 0.00 O ATOM 0 H SER A 57 -1.779 2.096 2.299 1.00 0.00 H new ATOM 0 HA SER A 57 -4.537 2.184 3.300 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.980 0.184 4.339 1.00 0.00 H new ATOM 0 HB3 SER A 57 -2.280 0.589 4.471 1.00 0.00 H new ATOM 0 HG SER A 57 -4.457 1.432 6.096 1.00 0.00 H new ATOM 885 N ASP A 58 -3.517 3.771 5.281 1.00 0.00 N ATOM 886 CA ASP A 58 -3.154 5.011 5.946 1.00 0.00 C ATOM 887 C ASP A 58 -1.856 4.804 6.727 1.00 0.00 C ATOM 888 O ASP A 58 -1.429 3.670 6.940 1.00 0.00 O ATOM 889 CB ASP A 58 -4.238 5.443 6.935 1.00 0.00 C ATOM 890 CG ASP A 58 -4.649 4.376 7.952 1.00 0.00 C ATOM 891 OD1 ASP A 58 -4.184 3.227 7.787 1.00 0.00 O ATOM 892 OD2 ASP A 58 -5.420 4.731 8.869 1.00 0.00 O ATOM 0 H ASP A 58 -4.187 3.194 5.790 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.035 5.781 5.183 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.886 6.322 7.475 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.121 5.747 6.373 1.00 0.00 H new ATOM 897 N PHE A 59 -1.264 5.917 7.135 1.00 0.00 N ATOM 898 CA PHE A 59 -0.022 5.872 7.888 1.00 0.00 C ATOM 899 C PHE A 59 -0.290 5.610 9.371 1.00 0.00 C ATOM 900 O PHE A 59 0.627 5.285 10.124 1.00 0.00 O ATOM 901 CB PHE A 59 0.643 7.242 7.737 1.00 0.00 C ATOM 902 CG PHE A 59 2.005 7.198 7.041 1.00 0.00 C ATOM 903 CD1 PHE A 59 2.861 6.171 7.286 1.00 0.00 C ATOM 904 CD2 PHE A 59 2.359 8.188 6.176 1.00 0.00 C ATOM 905 CE1 PHE A 59 4.125 6.131 6.639 1.00 0.00 C ATOM 906 CE2 PHE A 59 3.622 8.147 5.530 1.00 0.00 C ATOM 907 CZ PHE A 59 4.479 7.120 5.776 1.00 0.00 C ATOM 0 H PHE A 59 -1.622 6.856 6.958 1.00 0.00 H new ATOM 0 HA PHE A 59 0.612 5.068 7.513 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -0.021 7.897 7.173 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.765 7.686 8.725 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.580 5.386 7.972 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.679 9.004 5.982 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.805 5.315 6.833 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.903 8.932 4.843 1.00 0.00 H new ATOM 0 HZ PHE A 59 5.441 7.090 5.286 1.00 0.00 H new ATOM 917 N ASN A 60 -1.552 5.760 9.747 1.00 0.00 N ATOM 918 CA ASN A 60 -1.953 5.545 11.127 1.00 0.00 C ATOM 919 C ASN A 60 -1.304 4.260 11.646 1.00 0.00 C ATOM 920 O ASN A 60 -0.640 3.547 10.895 1.00 0.00 O ATOM 921 CB ASN A 60 -3.470 5.387 11.242 1.00 0.00 C ATOM 922 CG ASN A 60 -4.186 6.679 10.845 1.00 0.00 C ATOM 923 OD1 ASN A 60 -3.747 7.425 9.985 1.00 0.00 O ATOM 924 ND2 ASN A 60 -5.312 6.902 11.518 1.00 0.00 N ATOM 0 H ASN A 60 -2.310 6.028 9.120 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.636 6.410 11.709 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.804 4.570 10.602 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.735 5.119 12.265 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.864 7.738 11.326 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.623 6.237 12.226 1.00 0.00 H new ATOM 931 N MET A 61 -1.518 4.002 12.929 1.00 0.00 N ATOM 932 CA MET A 61 -0.962 2.816 13.557 1.00 0.00 C ATOM 933 C MET A 61 -2.059 1.796 13.868 1.00 0.00 C ATOM 934 O MET A 61 -2.362 1.539 15.032 1.00 0.00 O ATOM 935 CB MET A 61 -0.250 3.212 14.853 1.00 0.00 C ATOM 936 CG MET A 61 -1.257 3.630 15.926 1.00 0.00 C ATOM 937 SD MET A 61 -0.614 5.007 16.862 1.00 0.00 S ATOM 938 CE MET A 61 -1.773 5.029 18.219 1.00 0.00 C ATOM 0 H MET A 61 -2.069 4.595 13.550 1.00 0.00 H new ATOM 0 HA MET A 61 -0.253 2.360 12.867 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.346 2.374 15.215 1.00 0.00 H new ATOM 0 HB3 MET A 61 0.440 4.033 14.657 1.00 0.00 H new ATOM 0 HG2 MET A 61 -2.203 3.906 15.461 1.00 0.00 H new ATOM 0 HG3 MET A 61 -1.462 2.791 16.591 1.00 0.00 H new ATOM 0 HE1 MET A 61 -1.515 5.836 18.905 1.00 0.00 H new ATOM 0 HE2 MET A 61 -2.781 5.187 17.834 1.00 0.00 H new ATOM 0 HE3 MET A 61 -1.732 4.077 18.748 1.00 0.00 H new ATOM 948 N PRO A 62 -2.638 1.226 12.778 1.00 0.00 N ATOM 949 CA PRO A 62 -3.695 0.239 12.922 1.00 0.00 C ATOM 950 C PRO A 62 -3.128 -1.110 13.367 1.00 0.00 C ATOM 951 O PRO A 62 -2.027 -1.175 13.911 1.00 0.00 O ATOM 952 CB PRO A 62 -4.367 0.180 11.559 1.00 0.00 C ATOM 953 CG PRO A 62 -3.376 0.787 10.579 1.00 0.00 C ATOM 954 CD PRO A 62 -2.306 1.505 11.384 1.00 0.00 C ATOM 0 HA PRO A 62 -4.416 0.504 13.696 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.607 -0.848 11.286 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.304 0.736 11.561 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.930 0.011 9.957 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.880 1.482 9.908 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -1.310 1.139 11.134 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.312 2.576 11.183 1.00 0.00 H new ATOM 962 N LYS A 63 -3.906 -2.154 13.121 1.00 0.00 N ATOM 963 CA LYS A 63 -3.495 -3.497 13.490 1.00 0.00 C ATOM 964 C LYS A 63 -2.200 -3.851 12.756 1.00 0.00 C ATOM 965 O LYS A 63 -1.377 -4.604 13.271 1.00 0.00 O ATOM 966 CB LYS A 63 -4.632 -4.492 13.245 1.00 0.00 C ATOM 967 CG LYS A 63 -5.560 -4.574 14.458 1.00 0.00 C ATOM 968 CD LYS A 63 -5.299 -5.849 15.262 1.00 0.00 C ATOM 969 CE LYS A 63 -3.826 -6.256 15.182 1.00 0.00 C ATOM 970 NZ LYS A 63 -3.417 -6.963 16.416 1.00 0.00 N ATOM 0 H LYS A 63 -4.819 -2.096 12.670 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.281 -3.549 14.557 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.202 -4.189 12.367 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.218 -5.478 13.032 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.411 -3.702 15.094 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.599 -4.554 14.128 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.580 -5.691 16.303 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.924 -6.657 14.882 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.667 -6.900 14.317 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.205 -5.371 15.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.415 -7.232 16.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.551 -6.337 17.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.998 -7.818 16.535 1.00 0.00 H new ATOM 984 N MET A 64 -2.061 -3.287 11.565 1.00 0.00 N ATOM 985 CA MET A 64 -0.880 -3.533 10.754 1.00 0.00 C ATOM 986 C MET A 64 -0.592 -2.348 9.831 1.00 0.00 C ATOM 987 O MET A 64 -1.437 -1.968 9.021 1.00 0.00 O ATOM 988 CB MET A 64 -1.090 -4.795 9.915 1.00 0.00 C ATOM 989 CG MET A 64 -1.774 -5.891 10.734 1.00 0.00 C ATOM 990 SD MET A 64 -1.809 -7.415 9.807 1.00 0.00 S ATOM 991 CE MET A 64 -0.776 -8.434 10.846 1.00 0.00 C ATOM 0 H MET A 64 -2.746 -2.661 11.142 1.00 0.00 H new ATOM 0 HA MET A 64 -0.027 -3.666 11.419 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.696 -4.558 9.041 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.129 -5.156 9.548 1.00 0.00 H new ATOM 0 HG2 MET A 64 -1.242 -6.040 11.674 1.00 0.00 H new ATOM 0 HG3 MET A 64 -2.790 -5.587 10.987 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.691 -9.429 10.410 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.215 -7.986 10.925 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.220 -8.509 11.839 1.00 0.00 H new ATOM 1001 N ASP A 65 0.602 -1.796 9.983 1.00 0.00 N ATOM 1002 CA ASP A 65 1.011 -0.661 9.173 1.00 0.00 C ATOM 1003 C ASP A 65 2.312 -1.004 8.443 1.00 0.00 C ATOM 1004 O ASP A 65 2.931 -2.030 8.720 1.00 0.00 O ATOM 1005 CB ASP A 65 1.268 0.572 10.041 1.00 0.00 C ATOM 1006 CG ASP A 65 1.216 1.908 9.298 1.00 0.00 C ATOM 1007 OD1 ASP A 65 0.399 2.003 8.357 1.00 0.00 O ATOM 1008 OD2 ASP A 65 1.996 2.805 9.688 1.00 0.00 O ATOM 0 H ASP A 65 1.300 -2.114 10.655 1.00 0.00 H new ATOM 0 HA ASP A 65 0.209 -0.444 8.467 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.532 0.592 10.845 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.248 0.471 10.508 1.00 0.00 H new ATOM 1013 N GLY A 66 2.687 -0.125 7.524 1.00 0.00 N ATOM 1014 CA GLY A 66 3.902 -0.322 6.753 1.00 0.00 C ATOM 1015 C GLY A 66 4.920 -1.152 7.536 1.00 0.00 C ATOM 1016 O GLY A 66 5.623 -1.982 6.962 1.00 0.00 O ATOM 0 H GLY A 66 2.170 0.725 7.297 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.664 -0.823 5.815 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.335 0.645 6.497 1.00 0.00 H new ATOM 1020 N LEU A 67 4.967 -0.901 8.836 1.00 0.00 N ATOM 1021 CA LEU A 67 5.888 -1.615 9.704 1.00 0.00 C ATOM 1022 C LEU A 67 5.398 -3.053 9.887 1.00 0.00 C ATOM 1023 O LEU A 67 6.070 -3.998 9.476 1.00 0.00 O ATOM 1024 CB LEU A 67 6.078 -0.858 11.020 1.00 0.00 C ATOM 1025 CG LEU A 67 6.608 0.572 10.901 1.00 0.00 C ATOM 1026 CD1 LEU A 67 7.991 0.593 10.247 1.00 0.00 C ATOM 1027 CD2 LEU A 67 5.610 1.465 10.161 1.00 0.00 C ATOM 0 H LEU A 67 4.382 -0.213 9.310 1.00 0.00 H new ATOM 0 HA LEU A 67 6.877 -1.670 9.248 1.00 0.00 H new ATOM 0 HB2 LEU A 67 5.120 -0.827 11.540 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.763 -1.427 11.648 1.00 0.00 H new ATOM 0 HG LEU A 67 6.722 0.979 11.906 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.344 1.622 10.175 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.688 0.012 10.851 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.928 0.160 9.249 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.010 2.476 10.090 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.441 1.070 9.159 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.666 1.486 10.706 1.00 0.00 H new ATOM 1039 N GLY A 68 4.232 -3.173 10.504 1.00 0.00 N ATOM 1040 CA GLY A 68 3.645 -4.480 10.746 1.00 0.00 C ATOM 1041 C GLY A 68 3.388 -5.218 9.431 1.00 0.00 C ATOM 1042 O GLY A 68 3.613 -6.424 9.337 1.00 0.00 O ATOM 0 H GLY A 68 3.678 -2.387 10.844 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.311 -5.071 11.375 1.00 0.00 H new ATOM 0 HA3 GLY A 68 2.709 -4.366 11.292 1.00 0.00 H new ATOM 1046 N LEU A 69 2.920 -4.464 8.448 1.00 0.00 N ATOM 1047 CA LEU A 69 2.630 -5.030 7.141 1.00 0.00 C ATOM 1048 C LEU A 69 3.884 -5.720 6.600 1.00 0.00 C ATOM 1049 O LEU A 69 3.818 -6.853 6.126 1.00 0.00 O ATOM 1050 CB LEU A 69 2.064 -3.960 6.206 1.00 0.00 C ATOM 1051 CG LEU A 69 0.631 -4.184 5.721 1.00 0.00 C ATOM 1052 CD1 LEU A 69 -0.351 -4.186 6.894 1.00 0.00 C ATOM 1053 CD2 LEU A 69 0.246 -3.157 4.654 1.00 0.00 C ATOM 0 H LEU A 69 2.734 -3.464 8.530 1.00 0.00 H new ATOM 0 HA LEU A 69 1.855 -5.792 7.219 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.107 -2.999 6.718 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.714 -3.886 5.334 1.00 0.00 H new ATOM 0 HG LEU A 69 0.579 -5.168 5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.363 -4.347 6.521 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.088 -4.985 7.587 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.303 -3.227 7.410 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.778 -3.339 4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.320 -2.153 5.072 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.921 -3.247 3.803 1.00 0.00 H new ATOM 1065 N LEU A 70 4.998 -5.007 6.688 1.00 0.00 N ATOM 1066 CA LEU A 70 6.265 -5.536 6.213 1.00 0.00 C ATOM 1067 C LEU A 70 6.552 -6.866 6.913 1.00 0.00 C ATOM 1068 O LEU A 70 6.519 -7.923 6.284 1.00 0.00 O ATOM 1069 CB LEU A 70 7.376 -4.499 6.383 1.00 0.00 C ATOM 1070 CG LEU A 70 8.749 -4.889 5.834 1.00 0.00 C ATOM 1071 CD1 LEU A 70 9.817 -3.878 6.254 1.00 0.00 C ATOM 1072 CD2 LEU A 70 9.118 -6.316 6.246 1.00 0.00 C ATOM 0 H LEU A 70 5.049 -4.067 7.081 1.00 0.00 H new ATOM 0 HA LEU A 70 6.215 -5.743 5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.061 -3.576 5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.481 -4.279 7.445 1.00 0.00 H new ATOM 0 HG LEU A 70 8.699 -4.869 4.745 1.00 0.00 H new ATOM 0 HD11 LEU A 70 10.783 -4.180 5.850 1.00 0.00 H new ATOM 0 HD12 LEU A 70 9.556 -2.892 5.870 1.00 0.00 H new ATOM 0 HD13 LEU A 70 9.875 -3.840 7.342 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.099 -6.569 5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 70 9.144 -6.386 7.333 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.375 -7.011 5.855 1.00 0.00 H new ATOM 1084 N GLN A 71 6.829 -6.770 8.206 1.00 0.00 N ATOM 1085 CA GLN A 71 7.122 -7.952 8.997 1.00 0.00 C ATOM 1086 C GLN A 71 6.136 -9.072 8.664 1.00 0.00 C ATOM 1087 O GLN A 71 6.488 -10.250 8.718 1.00 0.00 O ATOM 1088 CB GLN A 71 7.099 -7.629 10.493 1.00 0.00 C ATOM 1089 CG GLN A 71 8.016 -6.447 10.813 1.00 0.00 C ATOM 1090 CD GLN A 71 8.598 -6.569 12.223 1.00 0.00 C ATOM 1091 OE1 GLN A 71 9.198 -7.566 12.589 1.00 0.00 O ATOM 1092 NE2 GLN A 71 8.389 -5.503 12.989 1.00 0.00 N ATOM 0 H GLN A 71 6.856 -5.892 8.724 1.00 0.00 H new ATOM 0 HA GLN A 71 8.127 -8.293 8.747 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.080 -7.398 10.803 1.00 0.00 H new ATOM 0 HB3 GLN A 71 7.415 -8.503 11.062 1.00 0.00 H new ATOM 0 HG2 GLN A 71 8.825 -6.403 10.084 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.457 -5.515 10.726 1.00 0.00 H new ATOM 0 HE21 GLN A 71 7.878 -4.701 12.619 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.739 -5.487 13.947 1.00 0.00 H new ATOM 1101 N ALA A 72 4.921 -8.667 8.326 1.00 0.00 N ATOM 1102 CA ALA A 72 3.881 -9.623 7.983 1.00 0.00 C ATOM 1103 C ALA A 72 4.269 -10.352 6.695 1.00 0.00 C ATOM 1104 O ALA A 72 4.232 -11.579 6.637 1.00 0.00 O ATOM 1105 CB ALA A 72 2.540 -8.896 7.862 1.00 0.00 C ATOM 0 H ALA A 72 4.633 -7.690 8.282 1.00 0.00 H new ATOM 0 HA ALA A 72 3.775 -10.374 8.766 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.760 -9.612 7.605 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.297 -8.420 8.812 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.607 -8.137 7.083 1.00 0.00 H new ATOM 1111 N VAL A 73 4.632 -9.563 5.694 1.00 0.00 N ATOM 1112 CA VAL A 73 5.026 -10.118 4.410 1.00 0.00 C ATOM 1113 C VAL A 73 6.218 -11.055 4.608 1.00 0.00 C ATOM 1114 O VAL A 73 6.201 -12.195 4.148 1.00 0.00 O ATOM 1115 CB VAL A 73 5.311 -8.989 3.418 1.00 0.00 C ATOM 1116 CG1 VAL A 73 4.440 -7.767 3.712 1.00 0.00 C ATOM 1117 CG2 VAL A 73 6.796 -8.618 3.421 1.00 0.00 C ATOM 0 H VAL A 73 4.662 -8.545 5.746 1.00 0.00 H new ATOM 0 HA VAL A 73 4.215 -10.710 3.985 1.00 0.00 H new ATOM 0 HB VAL A 73 5.057 -9.348 2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.663 -6.980 2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.388 -8.043 3.634 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.647 -7.407 4.720 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.971 -7.813 2.707 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.087 -8.288 4.418 1.00 0.00 H new ATOM 0 HG23 VAL A 73 7.389 -9.488 3.140 1.00 0.00 H new ATOM 1127 N ARG A 74 7.227 -10.540 5.296 1.00 0.00 N ATOM 1128 CA ARG A 74 8.426 -11.316 5.561 1.00 0.00 C ATOM 1129 C ARG A 74 8.062 -12.775 5.846 1.00 0.00 C ATOM 1130 O ARG A 74 8.845 -13.680 5.563 1.00 0.00 O ATOM 1131 CB ARG A 74 9.197 -10.749 6.755 1.00 0.00 C ATOM 1132 CG ARG A 74 9.586 -9.289 6.513 1.00 0.00 C ATOM 1133 CD ARG A 74 9.870 -9.036 5.031 1.00 0.00 C ATOM 1134 NE ARG A 74 10.985 -9.896 4.575 1.00 0.00 N ATOM 1135 CZ ARG A 74 12.262 -9.728 4.944 1.00 0.00 C ATOM 1136 NH1 ARG A 74 12.595 -8.731 5.775 1.00 0.00 N ATOM 1137 NH2 ARG A 74 13.208 -10.557 4.481 1.00 0.00 N ATOM 0 H ARG A 74 7.238 -9.594 5.678 1.00 0.00 H new ATOM 0 HA ARG A 74 9.058 -11.261 4.675 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.586 -10.822 7.655 1.00 0.00 H new ATOM 0 HB3 ARG A 74 10.094 -11.344 6.929 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.782 -8.634 6.850 1.00 0.00 H new ATOM 0 HG3 ARG A 74 10.468 -9.041 7.104 1.00 0.00 H new ATOM 0 HD2 ARG A 74 8.977 -9.241 4.441 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.121 -7.987 4.874 1.00 0.00 H new ATOM 0 HE ARG A 74 10.768 -10.664 3.940 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.876 -8.099 6.127 1.00 0.00 H new ATOM 0 HH12 ARG A 74 13.567 -8.604 6.055 1.00 0.00 H new ATOM 0 HH21 ARG A 74 12.956 -11.316 3.848 1.00 0.00 H new ATOM 0 HH22 ARG A 74 14.180 -10.429 4.762 1.00 0.00 H new ATOM 1151 N ALA A 75 6.874 -12.957 6.402 1.00 0.00 N ATOM 1152 CA ALA A 75 6.396 -14.290 6.727 1.00 0.00 C ATOM 1153 C ALA A 75 5.768 -14.920 5.483 1.00 0.00 C ATOM 1154 O ALA A 75 6.123 -16.034 5.101 1.00 0.00 O ATOM 1155 CB ALA A 75 5.414 -14.209 7.898 1.00 0.00 C ATOM 0 H ALA A 75 6.228 -12.203 6.636 1.00 0.00 H new ATOM 0 HA ALA A 75 7.223 -14.928 7.038 1.00 0.00 H new ATOM 0 HB1 ALA A 75 5.055 -15.209 8.142 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.917 -13.782 8.766 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.569 -13.578 7.622 1.00 0.00 H new ATOM 1161 N ASN A 76 4.845 -14.180 4.885 1.00 0.00 N ATOM 1162 CA ASN A 76 4.165 -14.653 3.691 1.00 0.00 C ATOM 1163 C ASN A 76 4.836 -14.052 2.455 1.00 0.00 C ATOM 1164 O ASN A 76 4.944 -12.833 2.334 1.00 0.00 O ATOM 1165 CB ASN A 76 2.696 -14.224 3.689 1.00 0.00 C ATOM 1166 CG ASN A 76 1.770 -15.438 3.788 1.00 0.00 C ATOM 1167 OD1 ASN A 76 2.117 -16.472 4.334 1.00 0.00 O ATOM 1168 ND2 ASN A 76 0.575 -15.253 3.232 1.00 0.00 N ATOM 0 H ASN A 76 4.552 -13.257 5.205 1.00 0.00 H new ATOM 0 HA ASN A 76 4.223 -15.741 3.678 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.509 -13.550 4.525 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.477 -13.668 2.777 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.116 -16.003 3.247 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.350 -14.361 2.791 1.00 0.00 H new ATOM 1175 N PRO A 77 5.281 -14.958 1.544 1.00 0.00 N ATOM 1176 CA PRO A 77 5.939 -14.530 0.322 1.00 0.00 C ATOM 1177 C PRO A 77 4.926 -13.970 -0.679 1.00 0.00 C ATOM 1178 O PRO A 77 5.303 -13.323 -1.654 1.00 0.00 O ATOM 1179 CB PRO A 77 6.659 -15.766 -0.191 1.00 0.00 C ATOM 1180 CG PRO A 77 6.005 -16.949 0.504 1.00 0.00 C ATOM 1181 CD PRO A 77 5.170 -16.410 1.655 1.00 0.00 C ATOM 0 HA PRO A 77 6.643 -13.715 0.487 1.00 0.00 H new ATOM 0 HB2 PRO A 77 6.567 -15.850 -1.274 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.724 -15.720 0.036 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.379 -17.504 -0.195 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.762 -17.641 0.873 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.132 -16.735 1.578 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.544 -16.764 2.616 1.00 0.00 H new ATOM 1189 N ALA A 78 3.658 -14.240 -0.402 1.00 0.00 N ATOM 1190 CA ALA A 78 2.587 -13.771 -1.266 1.00 0.00 C ATOM 1191 C ALA A 78 2.563 -12.241 -1.256 1.00 0.00 C ATOM 1192 O ALA A 78 2.491 -11.612 -2.310 1.00 0.00 O ATOM 1193 CB ALA A 78 1.260 -14.380 -0.809 1.00 0.00 C ATOM 0 H ALA A 78 3.349 -14.777 0.408 1.00 0.00 H new ATOM 0 HA ALA A 78 2.754 -14.090 -2.295 1.00 0.00 H new ATOM 0 HB1 ALA A 78 0.456 -14.029 -1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 78 1.321 -15.467 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 78 1.056 -14.079 0.218 1.00 0.00 H new ATOM 1199 N THR A 79 2.623 -11.688 -0.053 1.00 0.00 N ATOM 1200 CA THR A 79 2.608 -10.245 0.108 1.00 0.00 C ATOM 1201 C THR A 79 4.032 -9.688 0.062 1.00 0.00 C ATOM 1202 O THR A 79 4.235 -8.514 -0.241 1.00 0.00 O ATOM 1203 CB THR A 79 1.870 -9.921 1.408 1.00 0.00 C ATOM 1204 OG1 THR A 79 2.422 -8.673 1.819 1.00 0.00 O ATOM 1205 CG2 THR A 79 2.236 -10.882 2.543 1.00 0.00 C ATOM 0 H THR A 79 2.682 -12.214 0.819 1.00 0.00 H new ATOM 0 HA THR A 79 2.077 -9.762 -0.712 1.00 0.00 H new ATOM 0 HB THR A 79 0.795 -9.956 1.234 1.00 0.00 H new ATOM 0 HG1 THR A 79 1.802 -8.227 2.433 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.685 -10.609 3.443 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.977 -11.901 2.255 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.306 -10.821 2.740 1.00 0.00 H new ATOM 1213 N LYS A 80 4.983 -10.558 0.369 1.00 0.00 N ATOM 1214 CA LYS A 80 6.383 -10.169 0.367 1.00 0.00 C ATOM 1215 C LYS A 80 6.761 -9.645 -1.020 1.00 0.00 C ATOM 1216 O LYS A 80 7.767 -8.955 -1.174 1.00 0.00 O ATOM 1217 CB LYS A 80 7.262 -11.325 0.848 1.00 0.00 C ATOM 1218 CG LYS A 80 7.937 -12.028 -0.332 1.00 0.00 C ATOM 1219 CD LYS A 80 9.094 -11.190 -0.881 1.00 0.00 C ATOM 1220 CE LYS A 80 10.360 -12.035 -1.033 1.00 0.00 C ATOM 1221 NZ LYS A 80 11.362 -11.656 -0.012 1.00 0.00 N ATOM 0 H LYS A 80 4.811 -11.531 0.621 1.00 0.00 H new ATOM 0 HA LYS A 80 6.552 -9.356 1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.021 -10.949 1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.656 -12.040 1.404 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.308 -13.003 -0.015 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.206 -12.206 -1.121 1.00 0.00 H new ATOM 0 HD2 LYS A 80 8.816 -10.768 -1.847 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.290 -10.352 -0.212 1.00 0.00 H new ATOM 0 HE2 LYS A 80 10.113 -13.092 -0.934 1.00 0.00 H new ATOM 0 HE3 LYS A 80 10.778 -11.898 -2.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.215 -12.239 -0.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.610 -10.652 -0.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.966 -11.810 0.937 1.00 0.00 H new ATOM 1235 N LYS A 81 5.932 -9.994 -1.994 1.00 0.00 N ATOM 1236 CA LYS A 81 6.167 -9.566 -3.363 1.00 0.00 C ATOM 1237 C LYS A 81 5.216 -8.417 -3.704 1.00 0.00 C ATOM 1238 O LYS A 81 5.263 -7.875 -4.808 1.00 0.00 O ATOM 1239 CB LYS A 81 6.061 -10.756 -4.321 1.00 0.00 C ATOM 1240 CG LYS A 81 4.689 -10.797 -4.995 1.00 0.00 C ATOM 1241 CD LYS A 81 4.443 -12.155 -5.656 1.00 0.00 C ATOM 1242 CE LYS A 81 3.825 -13.145 -4.665 1.00 0.00 C ATOM 1243 NZ LYS A 81 4.198 -14.533 -5.019 1.00 0.00 N ATOM 0 H LYS A 81 5.099 -10.567 -1.862 1.00 0.00 H new ATOM 0 HA LYS A 81 7.182 -9.184 -3.474 1.00 0.00 H new ATOM 0 HB2 LYS A 81 6.841 -10.687 -5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.229 -11.684 -3.774 1.00 0.00 H new ATOM 0 HG2 LYS A 81 3.911 -10.602 -4.257 1.00 0.00 H new ATOM 0 HG3 LYS A 81 4.624 -10.007 -5.743 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.781 -12.032 -6.513 1.00 0.00 H new ATOM 0 HD3 LYS A 81 5.384 -12.554 -6.035 1.00 0.00 H new ATOM 0 HE2 LYS A 81 4.165 -12.917 -3.655 1.00 0.00 H new ATOM 0 HE3 LYS A 81 2.740 -13.042 -4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 3.730 -15.195 -4.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 3.898 -14.735 -5.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.229 -14.645 -4.944 1.00 0.00 H new ATOM 1257 N ALA A 82 4.377 -8.079 -2.738 1.00 0.00 N ATOM 1258 CA ALA A 82 3.417 -7.003 -2.922 1.00 0.00 C ATOM 1259 C ALA A 82 3.940 -5.737 -2.242 1.00 0.00 C ATOM 1260 O ALA A 82 4.625 -5.813 -1.222 1.00 0.00 O ATOM 1261 CB ALA A 82 2.054 -7.437 -2.377 1.00 0.00 C ATOM 0 H ALA A 82 4.341 -8.531 -1.824 1.00 0.00 H new ATOM 0 HA ALA A 82 3.289 -6.779 -3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.334 -6.631 -2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.713 -8.323 -2.913 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.143 -7.667 -1.315 1.00 0.00 H new ATOM 1267 N ALA A 83 3.599 -4.602 -2.833 1.00 0.00 N ATOM 1268 CA ALA A 83 4.027 -3.321 -2.299 1.00 0.00 C ATOM 1269 C ALA A 83 2.968 -2.801 -1.323 1.00 0.00 C ATOM 1270 O ALA A 83 1.888 -3.380 -1.209 1.00 0.00 O ATOM 1271 CB ALA A 83 4.287 -2.346 -3.449 1.00 0.00 C ATOM 0 H ALA A 83 3.030 -4.543 -3.678 1.00 0.00 H new ATOM 0 HA ALA A 83 4.961 -3.430 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 83 4.608 -1.385 -3.046 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.067 -2.747 -4.097 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.372 -2.210 -4.025 1.00 0.00 H new ATOM 1277 N PHE A 84 3.315 -1.716 -0.645 1.00 0.00 N ATOM 1278 CA PHE A 84 2.408 -1.113 0.316 1.00 0.00 C ATOM 1279 C PHE A 84 2.631 0.397 0.406 1.00 0.00 C ATOM 1280 O PHE A 84 3.769 0.858 0.468 1.00 0.00 O ATOM 1281 CB PHE A 84 2.713 -1.744 1.675 1.00 0.00 C ATOM 1282 CG PHE A 84 3.556 -3.018 1.596 1.00 0.00 C ATOM 1283 CD1 PHE A 84 2.982 -4.192 1.220 1.00 0.00 C ATOM 1284 CD2 PHE A 84 4.882 -2.976 1.899 1.00 0.00 C ATOM 1285 CE1 PHE A 84 3.765 -5.375 1.146 1.00 0.00 C ATOM 1286 CE2 PHE A 84 5.665 -4.158 1.824 1.00 0.00 C ATOM 1287 CZ PHE A 84 5.090 -5.332 1.450 1.00 0.00 C ATOM 0 H PHE A 84 4.212 -1.240 -0.743 1.00 0.00 H new ATOM 0 HA PHE A 84 1.375 -1.283 0.011 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.234 -1.014 2.294 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.773 -1.974 2.176 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.930 -4.225 0.977 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.339 -2.044 2.196 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.309 -6.308 0.849 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.717 -4.125 2.064 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.686 -6.231 1.394 1.00 0.00 H new ATOM 1297 N ILE A 85 1.525 1.127 0.413 1.00 0.00 N ATOM 1298 CA ILE A 85 1.584 2.577 0.494 1.00 0.00 C ATOM 1299 C ILE A 85 1.060 3.028 1.859 1.00 0.00 C ATOM 1300 O ILE A 85 0.002 2.581 2.300 1.00 0.00 O ATOM 1301 CB ILE A 85 0.849 3.211 -0.688 1.00 0.00 C ATOM 1302 CG1 ILE A 85 1.303 2.593 -2.012 1.00 0.00 C ATOM 1303 CG2 ILE A 85 1.011 4.733 -0.681 1.00 0.00 C ATOM 1304 CD1 ILE A 85 0.615 3.270 -3.198 1.00 0.00 C ATOM 0 H ILE A 85 0.582 0.741 0.364 1.00 0.00 H new ATOM 0 HA ILE A 85 2.615 2.921 0.418 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.215 2.999 -0.582 1.00 0.00 H new ATOM 0 HG12 ILE A 85 2.384 2.690 -2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.077 1.527 -2.016 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.479 5.159 -1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 85 0.601 5.138 0.244 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.069 4.987 -0.750 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.956 2.812 -4.126 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.465 3.150 -3.109 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.863 4.331 -3.205 1.00 0.00 H new ATOM 1316 N ILE A 86 1.823 3.909 2.489 1.00 0.00 N ATOM 1317 CA ILE A 86 1.448 4.425 3.795 1.00 0.00 C ATOM 1318 C ILE A 86 1.448 5.955 3.751 1.00 0.00 C ATOM 1319 O ILE A 86 2.506 6.578 3.684 1.00 0.00 O ATOM 1320 CB ILE A 86 2.352 3.841 4.882 1.00 0.00 C ATOM 1321 CG1 ILE A 86 3.214 2.705 4.326 1.00 0.00 C ATOM 1322 CG2 ILE A 86 1.533 3.397 6.095 1.00 0.00 C ATOM 1323 CD1 ILE A 86 4.514 2.566 5.121 1.00 0.00 C ATOM 0 H ILE A 86 2.699 4.279 2.120 1.00 0.00 H new ATOM 0 HA ILE A 86 0.436 4.112 4.053 1.00 0.00 H new ATOM 0 HB ILE A 86 3.030 4.624 5.220 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.658 1.769 4.365 1.00 0.00 H new ATOM 0 HG13 ILE A 86 3.443 2.897 3.278 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.199 2.986 6.853 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.999 4.254 6.507 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.816 2.635 5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.109 1.752 4.706 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.079 3.496 5.060 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.281 2.351 6.164 1.00 0.00 H new ATOM 1335 N LEU A 87 0.248 6.516 3.793 1.00 0.00 N ATOM 1336 CA LEU A 87 0.096 7.960 3.760 1.00 0.00 C ATOM 1337 C LEU A 87 -0.766 8.405 4.943 1.00 0.00 C ATOM 1338 O LEU A 87 -1.471 7.594 5.543 1.00 0.00 O ATOM 1339 CB LEU A 87 -0.443 8.412 2.402 1.00 0.00 C ATOM 1340 CG LEU A 87 -1.962 8.576 2.304 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -2.679 7.270 2.653 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -2.443 9.744 3.167 1.00 0.00 C ATOM 0 H LEU A 87 -0.628 5.996 3.850 1.00 0.00 H new ATOM 0 HA LEU A 87 1.065 8.447 3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.023 9.364 2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.126 7.690 1.649 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.214 8.814 1.271 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.757 7.415 2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.367 6.488 1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.425 6.976 3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.525 9.839 3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.178 9.561 4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.969 10.666 2.829 1.00 0.00 H new ATOM 1354 N THR A 88 -0.684 9.694 5.243 1.00 0.00 N ATOM 1355 CA THR A 88 -1.449 10.255 6.344 1.00 0.00 C ATOM 1356 C THR A 88 -2.053 11.602 5.939 1.00 0.00 C ATOM 1357 O THR A 88 -1.780 12.107 4.851 1.00 0.00 O ATOM 1358 CB THR A 88 -0.528 10.344 7.563 1.00 0.00 C ATOM 1359 OG1 THR A 88 -1.177 11.279 8.419 1.00 0.00 O ATOM 1360 CG2 THR A 88 0.813 11.004 7.237 1.00 0.00 C ATOM 0 H THR A 88 -0.100 10.365 4.743 1.00 0.00 H new ATOM 0 HA THR A 88 -2.295 9.619 6.604 1.00 0.00 H new ATOM 0 HB THR A 88 -0.352 9.344 7.960 1.00 0.00 H new ATOM 0 HG1 THR A 88 -0.649 11.396 9.236 1.00 0.00 H new ATOM 0 HG21 THR A 88 1.428 11.042 8.136 1.00 0.00 H new ATOM 0 HG22 THR A 88 1.327 10.424 6.470 1.00 0.00 H new ATOM 0 HG23 THR A 88 0.641 12.017 6.872 1.00 0.00 H new ATOM 1368 N ALA A 89 -2.863 12.144 6.837 1.00 0.00 N ATOM 1369 CA ALA A 89 -3.508 13.422 6.588 1.00 0.00 C ATOM 1370 C ALA A 89 -2.439 14.489 6.342 1.00 0.00 C ATOM 1371 O ALA A 89 -2.741 15.571 5.841 1.00 0.00 O ATOM 1372 CB ALA A 89 -4.421 13.771 7.765 1.00 0.00 C ATOM 0 H ALA A 89 -3.087 11.721 7.738 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.132 13.370 5.696 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.905 14.730 7.578 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.180 12.997 7.878 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.829 13.835 8.678 1.00 0.00 H new ATOM 1378 N GLN A 90 -1.212 14.146 6.705 1.00 0.00 N ATOM 1379 CA GLN A 90 -0.097 15.061 6.531 1.00 0.00 C ATOM 1380 C GLN A 90 0.928 14.469 5.563 1.00 0.00 C ATOM 1381 O GLN A 90 0.887 14.744 4.365 1.00 0.00 O ATOM 1382 CB GLN A 90 0.550 15.400 7.876 1.00 0.00 C ATOM 1383 CG GLN A 90 -0.325 16.366 8.677 1.00 0.00 C ATOM 1384 CD GLN A 90 0.463 17.614 9.079 1.00 0.00 C ATOM 1385 OE1 GLN A 90 1.010 18.327 8.252 1.00 0.00 O ATOM 1386 NE2 GLN A 90 0.491 17.839 10.389 1.00 0.00 N ATOM 0 H GLN A 90 -0.965 13.247 7.119 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.477 15.989 6.104 1.00 0.00 H new ATOM 0 HB2 GLN A 90 0.707 14.486 8.449 1.00 0.00 H new ATOM 0 HB3 GLN A 90 1.531 15.845 7.710 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.192 16.655 8.083 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.702 15.866 9.569 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.012 17.203 11.026 1.00 0.00 H new ATOM 0 HE22 GLN A 90 0.991 18.648 10.757 1.00 0.00 H new ATOM 1395 N GLY A 91 1.827 13.668 6.118 1.00 0.00 N ATOM 1396 CA GLY A 91 2.862 13.035 5.318 1.00 0.00 C ATOM 1397 C GLY A 91 4.056 12.634 6.186 1.00 0.00 C ATOM 1398 O GLY A 91 4.498 13.408 7.034 1.00 0.00 O ATOM 0 H GLY A 91 1.860 13.443 7.112 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.456 12.153 4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 91 3.190 13.718 4.535 1.00 0.00 H new ATOM 1402 N ASP A 92 4.545 11.428 5.943 1.00 0.00 N ATOM 1403 CA ASP A 92 5.680 10.915 6.691 1.00 0.00 C ATOM 1404 C ASP A 92 6.598 10.137 5.747 1.00 0.00 C ATOM 1405 O ASP A 92 6.567 8.907 5.717 1.00 0.00 O ATOM 1406 CB ASP A 92 5.225 9.962 7.799 1.00 0.00 C ATOM 1407 CG ASP A 92 4.291 10.581 8.841 1.00 0.00 C ATOM 1408 OD1 ASP A 92 4.238 11.829 8.884 1.00 0.00 O ATOM 1409 OD2 ASP A 92 3.653 9.793 9.570 1.00 0.00 O ATOM 0 H ASP A 92 4.176 10.790 5.238 1.00 0.00 H new ATOM 0 HA ASP A 92 6.201 11.763 7.136 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.721 9.111 7.341 1.00 0.00 H new ATOM 0 HB3 ASP A 92 6.107 9.574 8.309 1.00 0.00 H new ATOM 1414 N ARG A 93 7.395 10.885 4.998 1.00 0.00 N ATOM 1415 CA ARG A 93 8.320 10.282 4.054 1.00 0.00 C ATOM 1416 C ARG A 93 9.281 9.339 4.783 1.00 0.00 C ATOM 1417 O ARG A 93 9.636 8.284 4.260 1.00 0.00 O ATOM 1418 CB ARG A 93 9.128 11.350 3.314 1.00 0.00 C ATOM 1419 CG ARG A 93 8.321 11.945 2.158 1.00 0.00 C ATOM 1420 CD ARG A 93 9.150 12.969 1.382 1.00 0.00 C ATOM 1421 NE ARG A 93 9.612 14.041 2.292 1.00 0.00 N ATOM 1422 CZ ARG A 93 8.845 15.060 2.703 1.00 0.00 C ATOM 1423 NH1 ARG A 93 7.574 15.154 2.286 1.00 0.00 N ATOM 1424 NH2 ARG A 93 9.349 15.987 3.529 1.00 0.00 N ATOM 0 H ARG A 93 7.419 11.904 5.026 1.00 0.00 H new ATOM 0 HA ARG A 93 7.733 9.720 3.328 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.414 12.141 4.008 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.050 10.913 2.931 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.999 11.149 1.487 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.420 12.420 2.545 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.007 12.480 0.919 1.00 0.00 H new ATOM 0 HD3 ARG A 93 8.553 13.397 0.576 1.00 0.00 H new ATOM 0 HE ARG A 93 10.575 14.002 2.627 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.191 14.450 1.656 1.00 0.00 H new ATOM 0 HH12 ARG A 93 6.991 15.930 2.599 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.316 15.917 3.845 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.765 16.763 3.842 1.00 0.00 H new ATOM 1438 N ALA A 94 9.674 9.754 5.978 1.00 0.00 N ATOM 1439 CA ALA A 94 10.586 8.961 6.783 1.00 0.00 C ATOM 1440 C ALA A 94 9.913 7.638 7.155 1.00 0.00 C ATOM 1441 O ALA A 94 10.546 6.584 7.122 1.00 0.00 O ATOM 1442 CB ALA A 94 11.012 9.764 8.014 1.00 0.00 C ATOM 0 H ALA A 94 9.377 10.630 6.408 1.00 0.00 H new ATOM 0 HA ALA A 94 11.489 8.725 6.219 1.00 0.00 H new ATOM 0 HB1 ALA A 94 11.697 9.168 8.618 1.00 0.00 H new ATOM 0 HB2 ALA A 94 11.511 10.680 7.696 1.00 0.00 H new ATOM 0 HB3 ALA A 94 10.132 10.017 8.606 1.00 0.00 H new ATOM 1448 N LEU A 95 8.637 7.737 7.500 1.00 0.00 N ATOM 1449 CA LEU A 95 7.871 6.561 7.878 1.00 0.00 C ATOM 1450 C LEU A 95 7.889 5.555 6.726 1.00 0.00 C ATOM 1451 O LEU A 95 8.161 4.372 6.935 1.00 0.00 O ATOM 1452 CB LEU A 95 6.462 6.960 8.324 1.00 0.00 C ATOM 1453 CG LEU A 95 6.350 7.575 9.720 1.00 0.00 C ATOM 1454 CD1 LEU A 95 6.002 6.509 10.761 1.00 0.00 C ATOM 1455 CD2 LEU A 95 7.623 8.340 10.086 1.00 0.00 C ATOM 0 H LEU A 95 8.115 8.613 7.526 1.00 0.00 H new ATOM 0 HA LEU A 95 8.326 6.070 8.738 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.062 7.672 7.602 1.00 0.00 H new ATOM 0 HB3 LEU A 95 5.826 6.075 8.286 1.00 0.00 H new ATOM 0 HG LEU A 95 5.533 8.296 9.712 1.00 0.00 H new ATOM 0 HD11 LEU A 95 5.928 6.972 11.745 1.00 0.00 H new ATOM 0 HD12 LEU A 95 5.048 6.048 10.505 1.00 0.00 H new ATOM 0 HD13 LEU A 95 6.781 5.747 10.776 1.00 0.00 H new ATOM 0 HD21 LEU A 95 7.517 8.767 11.083 1.00 0.00 H new ATOM 0 HD22 LEU A 95 8.474 7.659 10.072 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.787 9.140 9.364 1.00 0.00 H new ATOM 1467 N VAL A 96 7.597 6.059 5.537 1.00 0.00 N ATOM 1468 CA VAL A 96 7.577 5.218 4.352 1.00 0.00 C ATOM 1469 C VAL A 96 8.978 4.654 4.107 1.00 0.00 C ATOM 1470 O VAL A 96 9.166 3.439 4.081 1.00 0.00 O ATOM 1471 CB VAL A 96 7.035 6.008 3.159 1.00 0.00 C ATOM 1472 CG1 VAL A 96 7.786 5.650 1.875 1.00 0.00 C ATOM 1473 CG2 VAL A 96 5.530 5.785 2.993 1.00 0.00 C ATOM 0 H VAL A 96 7.372 7.039 5.368 1.00 0.00 H new ATOM 0 HA VAL A 96 6.906 4.371 4.497 1.00 0.00 H new ATOM 0 HB VAL A 96 7.198 7.067 3.358 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.380 6.226 1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.844 5.883 1.995 1.00 0.00 H new ATOM 0 HG13 VAL A 96 7.670 4.586 1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.169 6.357 2.138 1.00 0.00 H new ATOM 0 HG22 VAL A 96 5.335 4.725 2.828 1.00 0.00 H new ATOM 0 HG23 VAL A 96 5.012 6.113 3.894 1.00 0.00 H new ATOM 1483 N GLN A 97 9.925 5.564 3.935 1.00 0.00 N ATOM 1484 CA GLN A 97 11.304 5.172 3.694 1.00 0.00 C ATOM 1485 C GLN A 97 11.767 4.178 4.760 1.00 0.00 C ATOM 1486 O GLN A 97 12.652 3.360 4.510 1.00 0.00 O ATOM 1487 CB GLN A 97 12.222 6.396 3.650 1.00 0.00 C ATOM 1488 CG GLN A 97 11.905 7.275 2.438 1.00 0.00 C ATOM 1489 CD GLN A 97 13.162 7.535 1.606 1.00 0.00 C ATOM 1490 OE1 GLN A 97 13.573 8.664 1.391 1.00 0.00 O ATOM 1491 NE2 GLN A 97 13.747 6.432 1.151 1.00 0.00 N ATOM 0 H GLN A 97 9.765 6.571 3.958 1.00 0.00 H new ATOM 0 HA GLN A 97 11.358 4.683 2.721 1.00 0.00 H new ATOM 0 HB2 GLN A 97 12.105 6.976 4.565 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.262 6.074 3.608 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.149 6.790 1.820 1.00 0.00 H new ATOM 0 HG3 GLN A 97 11.483 8.223 2.772 1.00 0.00 H new ATOM 0 HE21 GLN A 97 13.350 5.518 1.368 1.00 0.00 H new ATOM 0 HE22 GLN A 97 14.593 6.500 0.585 1.00 0.00 H new ATOM 1500 N LYS A 98 11.150 4.281 5.928 1.00 0.00 N ATOM 1501 CA LYS A 98 11.489 3.401 7.034 1.00 0.00 C ATOM 1502 C LYS A 98 11.014 1.982 6.715 1.00 0.00 C ATOM 1503 O LYS A 98 11.771 1.023 6.858 1.00 0.00 O ATOM 1504 CB LYS A 98 10.933 3.954 8.348 1.00 0.00 C ATOM 1505 CG LYS A 98 12.015 4.700 9.130 1.00 0.00 C ATOM 1506 CD LYS A 98 11.402 5.534 10.257 1.00 0.00 C ATOM 1507 CE LYS A 98 12.482 6.297 11.026 1.00 0.00 C ATOM 1508 NZ LYS A 98 12.094 6.455 12.446 1.00 0.00 N ATOM 0 H LYS A 98 10.417 4.960 6.133 1.00 0.00 H new ATOM 0 HA LYS A 98 12.570 3.354 7.166 1.00 0.00 H new ATOM 0 HB2 LYS A 98 10.100 4.626 8.140 1.00 0.00 H new ATOM 0 HB3 LYS A 98 10.540 3.137 8.953 1.00 0.00 H new ATOM 0 HG2 LYS A 98 12.725 3.986 9.547 1.00 0.00 H new ATOM 0 HG3 LYS A 98 12.574 5.349 8.456 1.00 0.00 H new ATOM 0 HD2 LYS A 98 10.681 6.238 9.842 1.00 0.00 H new ATOM 0 HD3 LYS A 98 10.856 4.883 10.940 1.00 0.00 H new ATOM 0 HE2 LYS A 98 13.430 5.763 10.959 1.00 0.00 H new ATOM 0 HE3 LYS A 98 12.635 7.277 10.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 12.838 6.975 12.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 11.200 6.984 12.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 11.971 5.517 12.879 1.00 0.00 H new ATOM 1522 N ALA A 99 9.763 1.893 6.287 1.00 0.00 N ATOM 1523 CA ALA A 99 9.178 0.607 5.946 1.00 0.00 C ATOM 1524 C ALA A 99 10.033 -0.067 4.870 1.00 0.00 C ATOM 1525 O ALA A 99 10.430 -1.221 5.020 1.00 0.00 O ATOM 1526 CB ALA A 99 7.730 0.807 5.499 1.00 0.00 C ATOM 0 H ALA A 99 9.138 2.691 6.169 1.00 0.00 H new ATOM 0 HA ALA A 99 9.162 -0.050 6.815 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.292 -0.158 5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 99 7.159 1.262 6.308 1.00 0.00 H new ATOM 0 HB3 ALA A 99 7.705 1.459 4.626 1.00 0.00 H new ATOM 1532 N ALA A 100 10.290 0.683 3.808 1.00 0.00 N ATOM 1533 CA ALA A 100 11.089 0.172 2.707 1.00 0.00 C ATOM 1534 C ALA A 100 12.424 -0.344 3.248 1.00 0.00 C ATOM 1535 O ALA A 100 12.837 -1.460 2.934 1.00 0.00 O ATOM 1536 CB ALA A 100 11.272 1.269 1.656 1.00 0.00 C ATOM 0 H ALA A 100 9.959 1.640 3.687 1.00 0.00 H new ATOM 0 HA ALA A 100 10.584 -0.663 2.222 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.871 0.885 0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.297 1.581 1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.778 2.123 2.106 1.00 0.00 H new ATOM 1542 N ALA A 101 13.063 0.493 4.054 1.00 0.00 N ATOM 1543 CA ALA A 101 14.342 0.135 4.643 1.00 0.00 C ATOM 1544 C ALA A 101 14.154 -1.067 5.571 1.00 0.00 C ATOM 1545 O ALA A 101 14.936 -2.014 5.533 1.00 0.00 O ATOM 1546 CB ALA A 101 14.927 1.348 5.369 1.00 0.00 C ATOM 0 H ALA A 101 12.718 1.418 4.312 1.00 0.00 H new ATOM 0 HA ALA A 101 15.053 -0.155 3.869 1.00 0.00 H new ATOM 0 HB1 ALA A 101 15.887 1.080 5.811 1.00 0.00 H new ATOM 0 HB2 ALA A 101 15.070 2.163 4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 101 14.242 1.667 6.155 1.00 0.00 H new ATOM 1552 N LEU A 102 13.111 -0.988 6.385 1.00 0.00 N ATOM 1553 CA LEU A 102 12.809 -2.056 7.322 1.00 0.00 C ATOM 1554 C LEU A 102 13.048 -3.407 6.643 1.00 0.00 C ATOM 1555 O LEU A 102 13.775 -4.249 7.167 1.00 0.00 O ATOM 1556 CB LEU A 102 11.396 -1.893 7.885 1.00 0.00 C ATOM 1557 CG LEU A 102 11.184 -0.707 8.828 1.00 0.00 C ATOM 1558 CD1 LEU A 102 10.475 -1.148 10.111 1.00 0.00 C ATOM 1559 CD2 LEU A 102 12.506 0.005 9.120 1.00 0.00 C ATOM 0 H LEU A 102 12.464 -0.200 6.415 1.00 0.00 H new ATOM 0 HA LEU A 102 13.477 -2.007 8.182 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.702 -1.797 7.050 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.130 -2.807 8.417 1.00 0.00 H new ATOM 0 HG LEU A 102 10.534 0.013 8.331 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.336 -0.287 10.764 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.503 -1.575 9.862 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.080 -1.897 10.622 1.00 0.00 H new ATOM 0 HD21 LEU A 102 12.327 0.844 9.793 1.00 0.00 H new ATOM 0 HD22 LEU A 102 13.200 -0.693 9.588 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.935 0.373 8.188 1.00 0.00 H new ATOM 1571 N GLY A 103 12.423 -3.570 5.486 1.00 0.00 N ATOM 1572 CA GLY A 103 12.559 -4.803 4.730 1.00 0.00 C ATOM 1573 C GLY A 103 11.296 -5.088 3.914 1.00 0.00 C ATOM 1574 O GLY A 103 10.862 -6.234 3.815 1.00 0.00 O ATOM 0 H GLY A 103 11.821 -2.869 5.054 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.419 -4.732 4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 103 12.751 -5.632 5.411 1.00 0.00 H new ATOM 1578 N ALA A 104 10.741 -4.025 3.351 1.00 0.00 N ATOM 1579 CA ALA A 104 9.537 -4.145 2.547 1.00 0.00 C ATOM 1580 C ALA A 104 9.924 -4.284 1.074 1.00 0.00 C ATOM 1581 O ALA A 104 11.017 -3.883 0.675 1.00 0.00 O ATOM 1582 CB ALA A 104 8.630 -2.940 2.801 1.00 0.00 C ATOM 0 H ALA A 104 11.104 -3.075 3.436 1.00 0.00 H new ATOM 0 HA ALA A 104 8.977 -5.038 2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.727 -3.031 2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.359 -2.904 3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.157 -2.025 2.531 1.00 0.00 H new ATOM 1588 N ASN A 105 9.008 -4.853 0.305 1.00 0.00 N ATOM 1589 CA ASN A 105 9.239 -5.051 -1.116 1.00 0.00 C ATOM 1590 C ASN A 105 9.204 -3.696 -1.826 1.00 0.00 C ATOM 1591 O ASN A 105 10.097 -3.378 -2.610 1.00 0.00 O ATOM 1592 CB ASN A 105 8.155 -5.936 -1.733 1.00 0.00 C ATOM 1593 CG ASN A 105 8.597 -6.471 -3.097 1.00 0.00 C ATOM 1594 OD1 ASN A 105 8.048 -6.134 -4.133 1.00 0.00 O ATOM 1595 ND2 ASN A 105 9.617 -7.324 -3.040 1.00 0.00 N ATOM 0 H ASN A 105 8.103 -5.184 0.639 1.00 0.00 H new ATOM 0 HA ASN A 105 10.209 -5.534 -1.236 1.00 0.00 H new ATOM 0 HB2 ASN A 105 7.936 -6.769 -1.065 1.00 0.00 H new ATOM 0 HB3 ASN A 105 7.233 -5.365 -1.843 1.00 0.00 H new ATOM 0 HD21 ASN A 105 9.984 -7.738 -3.897 1.00 0.00 H new ATOM 0 HD22 ASN A 105 10.031 -7.564 -2.139 1.00 0.00 H new ATOM 1602 N ASN A 106 8.163 -2.932 -1.527 1.00 0.00 N ATOM 1603 CA ASN A 106 7.999 -1.620 -2.126 1.00 0.00 C ATOM 1604 C ASN A 106 6.935 -0.839 -1.353 1.00 0.00 C ATOM 1605 O ASN A 106 5.767 -1.224 -1.335 1.00 0.00 O ATOM 1606 CB ASN A 106 7.538 -1.732 -3.581 1.00 0.00 C ATOM 1607 CG ASN A 106 8.625 -1.241 -4.540 1.00 0.00 C ATOM 1608 OD1 ASN A 106 9.617 -1.906 -4.788 1.00 0.00 O ATOM 1609 ND2 ASN A 106 8.383 -0.043 -5.063 1.00 0.00 N ATOM 0 H ASN A 106 7.424 -3.198 -0.876 1.00 0.00 H new ATOM 0 HA ASN A 106 8.962 -1.112 -2.090 1.00 0.00 H new ATOM 0 HB2 ASN A 106 7.288 -2.768 -3.808 1.00 0.00 H new ATOM 0 HB3 ASN A 106 6.630 -1.147 -3.725 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.048 0.373 -5.715 1.00 0.00 H new ATOM 0 HD22 ASN A 106 7.532 0.460 -4.812 1.00 0.00 H new ATOM 1616 N VAL A 107 7.377 0.245 -0.731 1.00 0.00 N ATOM 1617 CA VAL A 107 6.477 1.083 0.043 1.00 0.00 C ATOM 1618 C VAL A 107 6.581 2.527 -0.451 1.00 0.00 C ATOM 1619 O VAL A 107 7.679 3.070 -0.569 1.00 0.00 O ATOM 1620 CB VAL A 107 6.781 0.939 1.536 1.00 0.00 C ATOM 1621 CG1 VAL A 107 8.228 1.331 1.841 1.00 0.00 C ATOM 1622 CG2 VAL A 107 5.802 1.760 2.377 1.00 0.00 C ATOM 0 H VAL A 107 8.346 0.562 -0.748 1.00 0.00 H new ATOM 0 HA VAL A 107 5.444 0.765 -0.097 1.00 0.00 H new ATOM 0 HB VAL A 107 6.654 -0.110 1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.418 1.220 2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 107 8.905 0.685 1.283 1.00 0.00 H new ATOM 0 HG13 VAL A 107 8.393 2.368 1.549 1.00 0.00 H new ATOM 0 HG21 VAL A 107 6.040 1.640 3.434 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.882 2.812 2.104 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.785 1.414 2.193 1.00 0.00 H new ATOM 1632 N LEU A 108 5.423 3.109 -0.728 1.00 0.00 N ATOM 1633 CA LEU A 108 5.370 4.480 -1.206 1.00 0.00 C ATOM 1634 C LEU A 108 4.511 5.314 -0.255 1.00 0.00 C ATOM 1635 O LEU A 108 3.562 4.805 0.341 1.00 0.00 O ATOM 1636 CB LEU A 108 4.894 4.520 -2.660 1.00 0.00 C ATOM 1637 CG LEU A 108 5.943 4.171 -3.718 1.00 0.00 C ATOM 1638 CD1 LEU A 108 7.298 4.792 -3.373 1.00 0.00 C ATOM 1639 CD2 LEU A 108 6.039 2.658 -3.916 1.00 0.00 C ATOM 0 H LEU A 108 4.514 2.656 -0.630 1.00 0.00 H new ATOM 0 HA LEU A 108 6.366 4.923 -1.207 1.00 0.00 H new ATOM 0 HB2 LEU A 108 4.056 3.831 -2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 108 4.514 5.520 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 108 5.626 4.600 -4.668 1.00 0.00 H new ATOM 0 HD11 LEU A 108 8.025 4.528 -4.141 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.199 5.876 -3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 108 7.636 4.414 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 108 6.792 2.437 -4.673 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.321 2.185 -2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 108 5.073 2.272 -4.241 1.00 0.00 H new ATOM 1651 N ALA A 109 4.874 6.584 -0.142 1.00 0.00 N ATOM 1652 CA ALA A 109 4.148 7.495 0.728 1.00 0.00 C ATOM 1653 C ALA A 109 3.294 8.435 -0.126 1.00 0.00 C ATOM 1654 O ALA A 109 3.407 8.443 -1.350 1.00 0.00 O ATOM 1655 CB ALA A 109 5.137 8.250 1.616 1.00 0.00 C ATOM 0 H ALA A 109 5.661 7.003 -0.638 1.00 0.00 H new ATOM 0 HA ALA A 109 3.475 6.945 1.386 1.00 0.00 H new ATOM 0 HB1 ALA A 109 4.593 8.933 2.268 1.00 0.00 H new ATOM 0 HB2 ALA A 109 5.698 7.539 2.222 1.00 0.00 H new ATOM 0 HB3 ALA A 109 5.827 8.817 0.991 1.00 0.00 H new ATOM 1661 N LYS A 110 2.459 9.206 0.556 1.00 0.00 N ATOM 1662 CA LYS A 110 1.587 10.149 -0.124 1.00 0.00 C ATOM 1663 C LYS A 110 1.565 11.468 0.651 1.00 0.00 C ATOM 1664 O LYS A 110 0.520 11.883 1.149 1.00 0.00 O ATOM 1665 CB LYS A 110 0.201 9.538 -0.337 1.00 0.00 C ATOM 1666 CG LYS A 110 -0.286 9.769 -1.769 1.00 0.00 C ATOM 1667 CD LYS A 110 -1.777 9.453 -1.900 1.00 0.00 C ATOM 1668 CE LYS A 110 -2.626 10.704 -1.660 1.00 0.00 C ATOM 1669 NZ LYS A 110 -3.438 11.015 -2.857 1.00 0.00 N ATOM 0 H LYS A 110 2.368 9.197 1.572 1.00 0.00 H new ATOM 0 HA LYS A 110 1.969 10.371 -1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.235 8.469 -0.129 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.506 9.977 0.367 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.104 10.805 -2.056 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.284 9.143 -2.456 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.982 9.055 -2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.053 8.679 -1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -3.278 10.549 -0.801 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -1.980 11.549 -1.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -4.008 11.866 -2.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.810 11.183 -3.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.068 10.214 -3.067 1.00 0.00 H new ATOM 1683 N PRO A 111 2.764 12.107 0.731 1.00 0.00 N ATOM 1684 CA PRO A 111 2.891 13.370 1.438 1.00 0.00 C ATOM 1685 C PRO A 111 2.294 14.518 0.621 1.00 0.00 C ATOM 1686 O PRO A 111 1.484 14.291 -0.276 1.00 0.00 O ATOM 1687 CB PRO A 111 4.382 13.532 1.688 1.00 0.00 C ATOM 1688 CG PRO A 111 5.072 12.593 0.711 1.00 0.00 C ATOM 1689 CD PRO A 111 4.022 11.647 0.154 1.00 0.00 C ATOM 0 HA PRO A 111 2.339 13.384 2.378 1.00 0.00 H new ATOM 0 HB2 PRO A 111 4.695 14.563 1.526 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.635 13.280 2.718 1.00 0.00 H new ATOM 0 HG2 PRO A 111 5.542 13.158 -0.094 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.862 12.034 1.212 1.00 0.00 H new ATOM 0 HD2 PRO A 111 3.995 11.683 -0.935 1.00 0.00 H new ATOM 0 HD3 PRO A 111 4.231 10.614 0.433 1.00 0.00 H new ATOM 1697 N PHE A 112 2.718 15.727 0.961 1.00 0.00 N ATOM 1698 CA PHE A 112 2.235 16.910 0.270 1.00 0.00 C ATOM 1699 C PHE A 112 3.153 17.277 -0.897 1.00 0.00 C ATOM 1700 O PHE A 112 3.136 18.411 -1.374 1.00 0.00 O ATOM 1701 CB PHE A 112 2.240 18.054 1.286 1.00 0.00 C ATOM 1702 CG PHE A 112 0.894 18.279 1.977 1.00 0.00 C ATOM 1703 CD1 PHE A 112 -0.137 18.842 1.291 1.00 0.00 C ATOM 1704 CD2 PHE A 112 0.728 17.917 3.277 1.00 0.00 C ATOM 1705 CE1 PHE A 112 -1.386 19.052 1.933 1.00 0.00 C ATOM 1706 CE2 PHE A 112 -0.522 18.126 3.918 1.00 0.00 C ATOM 1707 CZ PHE A 112 -1.552 18.689 3.233 1.00 0.00 C ATOM 0 H PHE A 112 3.390 15.912 1.705 1.00 0.00 H new ATOM 0 HA PHE A 112 1.238 16.725 -0.131 1.00 0.00 H new ATOM 0 HB2 PHE A 112 2.996 17.850 2.044 1.00 0.00 H new ATOM 0 HB3 PHE A 112 2.536 18.974 0.781 1.00 0.00 H new ATOM 0 HD1 PHE A 112 -0.006 19.129 0.258 1.00 0.00 H new ATOM 0 HD2 PHE A 112 1.547 17.471 3.822 1.00 0.00 H new ATOM 0 HE1 PHE A 112 -2.204 19.500 1.389 1.00 0.00 H new ATOM 0 HE2 PHE A 112 -0.654 17.837 4.950 1.00 0.00 H new ATOM 0 HZ PHE A 112 -2.502 18.848 3.721 1.00 0.00 H new ATOM 1717 N THR A 113 3.933 16.296 -1.325 1.00 0.00 N ATOM 1718 CA THR A 113 4.857 16.501 -2.429 1.00 0.00 C ATOM 1719 C THR A 113 4.563 15.514 -3.561 1.00 0.00 C ATOM 1720 O THR A 113 5.025 14.374 -3.531 1.00 0.00 O ATOM 1721 CB THR A 113 6.280 16.390 -1.881 1.00 0.00 C ATOM 1722 OG1 THR A 113 7.086 16.198 -3.041 1.00 0.00 O ATOM 1723 CG2 THR A 113 6.495 15.114 -1.063 1.00 0.00 C ATOM 0 H THR A 113 3.945 15.357 -0.928 1.00 0.00 H new ATOM 0 HA THR A 113 4.738 17.493 -2.866 1.00 0.00 H new ATOM 0 HB THR A 113 6.498 17.260 -1.262 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.026 16.118 -2.776 1.00 0.00 H new ATOM 0 HG21 THR A 113 7.521 15.085 -0.697 1.00 0.00 H new ATOM 0 HG22 THR A 113 5.808 15.104 -0.217 1.00 0.00 H new ATOM 0 HG23 THR A 113 6.309 14.243 -1.692 1.00 0.00 H new ATOM 1731 N ILE A 114 3.796 15.988 -4.531 1.00 0.00 N ATOM 1732 CA ILE A 114 3.434 15.162 -5.671 1.00 0.00 C ATOM 1733 C ILE A 114 4.701 14.550 -6.273 1.00 0.00 C ATOM 1734 O ILE A 114 4.650 13.480 -6.880 1.00 0.00 O ATOM 1735 CB ILE A 114 2.603 15.964 -6.673 1.00 0.00 C ATOM 1736 CG1 ILE A 114 3.428 17.099 -7.286 1.00 0.00 C ATOM 1737 CG2 ILE A 114 1.313 16.478 -6.029 1.00 0.00 C ATOM 1738 CD1 ILE A 114 3.691 16.845 -8.772 1.00 0.00 C ATOM 0 H ILE A 114 3.415 16.934 -4.552 1.00 0.00 H new ATOM 0 HA ILE A 114 2.798 14.335 -5.355 1.00 0.00 H new ATOM 0 HB ILE A 114 2.315 15.299 -7.487 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.900 18.045 -7.163 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.376 17.192 -6.756 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.741 17.045 -6.763 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.719 15.633 -5.680 1.00 0.00 H new ATOM 0 HG23 ILE A 114 1.559 17.122 -5.185 1.00 0.00 H new ATOM 0 HD11 ILE A 114 4.279 17.666 -9.183 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.240 15.911 -8.890 1.00 0.00 H new ATOM 0 HD13 ILE A 114 2.742 16.777 -9.303 1.00 0.00 H new ATOM 1750 N GLU A 115 5.807 15.254 -6.086 1.00 0.00 N ATOM 1751 CA GLU A 115 7.084 14.793 -6.603 1.00 0.00 C ATOM 1752 C GLU A 115 7.482 13.474 -5.938 1.00 0.00 C ATOM 1753 O GLU A 115 7.984 12.567 -6.600 1.00 0.00 O ATOM 1754 CB GLU A 115 8.170 15.854 -6.408 1.00 0.00 C ATOM 1755 CG GLU A 115 8.660 16.390 -7.754 1.00 0.00 C ATOM 1756 CD GLU A 115 7.513 17.025 -8.542 1.00 0.00 C ATOM 1757 OE1 GLU A 115 6.937 18.002 -8.018 1.00 0.00 O ATOM 1758 OE2 GLU A 115 7.238 16.517 -9.651 1.00 0.00 O ATOM 0 H GLU A 115 5.845 16.141 -5.583 1.00 0.00 H new ATOM 0 HA GLU A 115 6.978 14.620 -7.674 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.778 16.674 -5.807 1.00 0.00 H new ATOM 0 HB3 GLU A 115 9.007 15.426 -5.856 1.00 0.00 H new ATOM 0 HG2 GLU A 115 9.446 17.127 -7.591 1.00 0.00 H new ATOM 0 HG3 GLU A 115 9.099 15.579 -8.334 1.00 0.00 H new ATOM 1765 N LYS A 116 7.241 13.407 -4.637 1.00 0.00 N ATOM 1766 CA LYS A 116 7.567 12.214 -3.875 1.00 0.00 C ATOM 1767 C LYS A 116 6.541 11.122 -4.183 1.00 0.00 C ATOM 1768 O LYS A 116 6.902 10.034 -4.629 1.00 0.00 O ATOM 1769 CB LYS A 116 7.686 12.544 -2.386 1.00 0.00 C ATOM 1770 CG LYS A 116 8.768 11.691 -1.720 1.00 0.00 C ATOM 1771 CD LYS A 116 10.139 12.360 -1.832 1.00 0.00 C ATOM 1772 CE LYS A 116 11.237 11.456 -1.267 1.00 0.00 C ATOM 1773 NZ LYS A 116 12.227 12.254 -0.511 1.00 0.00 N ATOM 0 H LYS A 116 6.823 14.161 -4.091 1.00 0.00 H new ATOM 0 HA LYS A 116 8.543 11.828 -4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 116 7.923 13.601 -2.262 1.00 0.00 H new ATOM 0 HB3 LYS A 116 6.729 12.372 -1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 116 8.519 11.536 -0.670 1.00 0.00 H new ATOM 0 HG3 LYS A 116 8.800 10.707 -2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 116 10.352 12.588 -2.876 1.00 0.00 H new ATOM 0 HD3 LYS A 116 10.130 13.308 -1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 116 10.796 10.701 -0.616 1.00 0.00 H new ATOM 0 HE3 LYS A 116 11.733 10.925 -2.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 12.598 11.689 0.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.009 12.524 -1.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 11.771 13.111 -0.139 1.00 0.00 H new ATOM 1787 N MET A 117 5.282 11.450 -3.930 1.00 0.00 N ATOM 1788 CA MET A 117 4.201 10.509 -4.174 1.00 0.00 C ATOM 1789 C MET A 117 4.220 10.016 -5.622 1.00 0.00 C ATOM 1790 O MET A 117 4.255 8.812 -5.872 1.00 0.00 O ATOM 1791 CB MET A 117 2.861 11.186 -3.883 1.00 0.00 C ATOM 1792 CG MET A 117 1.696 10.348 -4.413 1.00 0.00 C ATOM 1793 SD MET A 117 1.339 10.798 -6.103 1.00 0.00 S ATOM 1794 CE MET A 117 0.193 12.138 -5.832 1.00 0.00 C ATOM 0 H MET A 117 4.986 12.353 -3.559 1.00 0.00 H new ATOM 0 HA MET A 117 4.335 9.651 -3.516 1.00 0.00 H new ATOM 0 HB2 MET A 117 2.749 11.332 -2.809 1.00 0.00 H new ATOM 0 HB3 MET A 117 2.841 12.174 -4.343 1.00 0.00 H new ATOM 0 HG2 MET A 117 1.944 9.288 -4.355 1.00 0.00 H new ATOM 0 HG3 MET A 117 0.814 10.504 -3.792 1.00 0.00 H new ATOM 0 HE1 MET A 117 -0.133 12.538 -6.792 1.00 0.00 H new ATOM 0 HE2 MET A 117 -0.672 11.771 -5.280 1.00 0.00 H new ATOM 0 HE3 MET A 117 0.683 12.925 -5.258 1.00 0.00 H new ATOM 1804 N LYS A 118 4.197 10.971 -6.540 1.00 0.00 N ATOM 1805 CA LYS A 118 4.210 10.649 -7.957 1.00 0.00 C ATOM 1806 C LYS A 118 5.438 9.790 -8.267 1.00 0.00 C ATOM 1807 O LYS A 118 5.307 8.671 -8.761 1.00 0.00 O ATOM 1808 CB LYS A 118 4.124 11.924 -8.797 1.00 0.00 C ATOM 1809 CG LYS A 118 3.769 11.601 -10.249 1.00 0.00 C ATOM 1810 CD LYS A 118 4.958 11.861 -11.176 1.00 0.00 C ATOM 1811 CE LYS A 118 4.529 11.817 -12.644 1.00 0.00 C ATOM 1812 NZ LYS A 118 5.231 12.863 -13.421 1.00 0.00 N ATOM 0 H LYS A 118 4.169 11.969 -6.330 1.00 0.00 H new ATOM 0 HA LYS A 118 3.332 10.061 -8.223 1.00 0.00 H new ATOM 0 HB2 LYS A 118 3.373 12.592 -8.375 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.077 12.453 -8.761 1.00 0.00 H new ATOM 0 HG2 LYS A 118 3.463 10.558 -10.329 1.00 0.00 H new ATOM 0 HG3 LYS A 118 2.919 12.208 -10.563 1.00 0.00 H new ATOM 0 HD2 LYS A 118 5.394 12.834 -10.950 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.733 11.115 -10.997 1.00 0.00 H new ATOM 0 HE2 LYS A 118 4.748 10.835 -13.064 1.00 0.00 H new ATOM 0 HE3 LYS A 118 3.451 11.962 -12.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 4.928 12.819 -14.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 5.001 13.799 -13.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 6.258 12.707 -13.365 1.00 0.00 H new ATOM 1826 N ALA A 119 6.602 10.345 -7.966 1.00 0.00 N ATOM 1827 CA ALA A 119 7.851 9.644 -8.206 1.00 0.00 C ATOM 1828 C ALA A 119 7.816 8.289 -7.495 1.00 0.00 C ATOM 1829 O ALA A 119 8.339 7.302 -8.008 1.00 0.00 O ATOM 1830 CB ALA A 119 9.023 10.514 -7.747 1.00 0.00 C ATOM 0 H ALA A 119 6.706 11.274 -7.557 1.00 0.00 H new ATOM 0 HA ALA A 119 7.985 9.454 -9.271 1.00 0.00 H new ATOM 0 HB1 ALA A 119 9.960 9.987 -7.928 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.021 11.451 -8.304 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.925 10.725 -6.682 1.00 0.00 H new ATOM 1836 N ALA A 120 7.193 8.288 -6.326 1.00 0.00 N ATOM 1837 CA ALA A 120 7.083 7.072 -5.538 1.00 0.00 C ATOM 1838 C ALA A 120 6.380 5.995 -6.367 1.00 0.00 C ATOM 1839 O ALA A 120 6.918 4.907 -6.564 1.00 0.00 O ATOM 1840 CB ALA A 120 6.349 7.374 -4.231 1.00 0.00 C ATOM 0 H ALA A 120 6.759 9.110 -5.905 1.00 0.00 H new ATOM 0 HA ALA A 120 8.071 6.694 -5.276 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.267 6.461 -3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.905 8.123 -3.666 1.00 0.00 H new ATOM 0 HB3 ALA A 120 5.352 7.753 -4.453 1.00 0.00 H new ATOM 1846 N ILE A 121 5.186 6.336 -6.831 1.00 0.00 N ATOM 1847 CA ILE A 121 4.403 5.412 -7.633 1.00 0.00 C ATOM 1848 C ILE A 121 5.211 5.005 -8.868 1.00 0.00 C ATOM 1849 O ILE A 121 5.211 3.837 -9.257 1.00 0.00 O ATOM 1850 CB ILE A 121 3.037 6.015 -7.966 1.00 0.00 C ATOM 1851 CG1 ILE A 121 3.029 6.613 -9.373 1.00 0.00 C ATOM 1852 CG2 ILE A 121 2.617 7.037 -6.907 1.00 0.00 C ATOM 1853 CD1 ILE A 121 1.598 6.815 -9.875 1.00 0.00 C ATOM 0 H ILE A 121 4.742 7.240 -6.666 1.00 0.00 H new ATOM 0 HA ILE A 121 4.196 4.502 -7.071 1.00 0.00 H new ATOM 0 HB ILE A 121 2.298 5.214 -7.953 1.00 0.00 H new ATOM 0 HG12 ILE A 121 3.555 7.568 -9.369 1.00 0.00 H new ATOM 0 HG13 ILE A 121 3.568 5.955 -10.055 1.00 0.00 H new ATOM 0 HG21 ILE A 121 1.643 7.451 -7.167 1.00 0.00 H new ATOM 0 HG22 ILE A 121 2.556 6.549 -5.934 1.00 0.00 H new ATOM 0 HG23 ILE A 121 3.353 7.840 -6.864 1.00 0.00 H new ATOM 0 HD11 ILE A 121 1.621 7.241 -10.878 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.083 5.855 -9.901 1.00 0.00 H new ATOM 0 HD13 ILE A 121 1.069 7.493 -9.205 1.00 0.00 H new ATOM 1865 N GLU A 122 5.881 5.989 -9.449 1.00 0.00 N ATOM 1866 CA GLU A 122 6.691 5.747 -10.630 1.00 0.00 C ATOM 1867 C GLU A 122 7.731 4.660 -10.348 1.00 0.00 C ATOM 1868 O GLU A 122 8.266 4.052 -11.274 1.00 0.00 O ATOM 1869 CB GLU A 122 7.362 7.037 -11.107 1.00 0.00 C ATOM 1870 CG GLU A 122 6.326 8.035 -11.626 1.00 0.00 C ATOM 1871 CD GLU A 122 6.879 8.841 -12.802 1.00 0.00 C ATOM 1872 OE1 GLU A 122 7.846 9.597 -12.567 1.00 0.00 O ATOM 1873 OE2 GLU A 122 6.324 8.683 -13.910 1.00 0.00 O ATOM 0 H GLU A 122 5.879 6.956 -9.124 1.00 0.00 H new ATOM 0 HA GLU A 122 6.038 5.398 -11.430 1.00 0.00 H new ATOM 0 HB2 GLU A 122 7.923 7.484 -10.286 1.00 0.00 H new ATOM 0 HB3 GLU A 122 8.079 6.808 -11.896 1.00 0.00 H new ATOM 0 HG2 GLU A 122 5.427 7.502 -11.937 1.00 0.00 H new ATOM 0 HG3 GLU A 122 6.034 8.711 -10.823 1.00 0.00 H new ATOM 1880 N ALA A 123 7.985 4.449 -9.065 1.00 0.00 N ATOM 1881 CA ALA A 123 8.951 3.446 -8.649 1.00 0.00 C ATOM 1882 C ALA A 123 8.245 2.097 -8.498 1.00 0.00 C ATOM 1883 O ALA A 123 8.724 1.081 -9.001 1.00 0.00 O ATOM 1884 CB ALA A 123 9.631 3.897 -7.355 1.00 0.00 C ATOM 0 H ALA A 123 7.539 4.955 -8.300 1.00 0.00 H new ATOM 0 HA ALA A 123 9.730 3.328 -9.402 1.00 0.00 H new ATOM 0 HB1 ALA A 123 10.355 3.145 -7.043 1.00 0.00 H new ATOM 0 HB2 ALA A 123 10.142 4.845 -7.524 1.00 0.00 H new ATOM 0 HB3 ALA A 123 8.881 4.023 -6.575 1.00 0.00 H new ATOM 1890 N VAL A 124 7.119 2.130 -7.801 1.00 0.00 N ATOM 1891 CA VAL A 124 6.342 0.922 -7.577 1.00 0.00 C ATOM 1892 C VAL A 124 5.918 0.336 -8.925 1.00 0.00 C ATOM 1893 O VAL A 124 5.867 -0.882 -9.088 1.00 0.00 O ATOM 1894 CB VAL A 124 5.158 1.225 -6.657 1.00 0.00 C ATOM 1895 CG1 VAL A 124 3.870 1.406 -7.462 1.00 0.00 C ATOM 1896 CG2 VAL A 124 4.992 0.132 -5.598 1.00 0.00 C ATOM 0 H VAL A 124 6.726 2.974 -7.384 1.00 0.00 H new ATOM 0 HA VAL A 124 6.945 0.168 -7.071 1.00 0.00 H new ATOM 0 HB VAL A 124 5.367 2.163 -6.142 1.00 0.00 H new ATOM 0 HG11 VAL A 124 3.044 1.620 -6.784 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.991 2.234 -8.160 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.656 0.492 -8.017 1.00 0.00 H new ATOM 0 HG21 VAL A 124 4.143 0.372 -4.957 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.817 -0.826 -6.088 1.00 0.00 H new ATOM 0 HG23 VAL A 124 5.897 0.071 -4.994 1.00 0.00 H new ATOM 1906 N PHE A 125 5.622 1.231 -9.856 1.00 0.00 N ATOM 1907 CA PHE A 125 5.204 0.817 -11.185 1.00 0.00 C ATOM 1908 C PHE A 125 6.413 0.556 -12.085 1.00 0.00 C ATOM 1909 O PHE A 125 6.270 0.030 -13.188 1.00 0.00 O ATOM 1910 CB PHE A 125 4.385 1.967 -11.774 1.00 0.00 C ATOM 1911 CG PHE A 125 3.030 2.179 -11.092 1.00 0.00 C ATOM 1912 CD1 PHE A 125 2.119 1.170 -11.063 1.00 0.00 C ATOM 1913 CD2 PHE A 125 2.739 3.376 -10.517 1.00 0.00 C ATOM 1914 CE1 PHE A 125 0.863 1.366 -10.431 1.00 0.00 C ATOM 1915 CE2 PHE A 125 1.482 3.573 -9.885 1.00 0.00 C ATOM 1916 CZ PHE A 125 0.571 2.563 -9.856 1.00 0.00 C ATOM 0 H PHE A 125 5.663 2.241 -9.717 1.00 0.00 H new ATOM 0 HA PHE A 125 4.626 -0.105 -11.122 1.00 0.00 H new ATOM 0 HB2 PHE A 125 4.965 2.887 -11.701 1.00 0.00 H new ATOM 0 HB3 PHE A 125 4.221 1.777 -12.835 1.00 0.00 H new ATOM 0 HD1 PHE A 125 2.351 0.220 -11.521 1.00 0.00 H new ATOM 0 HD2 PHE A 125 3.463 4.177 -10.541 1.00 0.00 H new ATOM 0 HE1 PHE A 125 0.140 0.564 -10.407 1.00 0.00 H new ATOM 0 HE2 PHE A 125 1.250 4.524 -9.428 1.00 0.00 H new ATOM 0 HZ PHE A 125 -0.385 2.712 -9.376 1.00 0.00 H new ATOM 1926 N GLY A 126 7.578 0.935 -11.580 1.00 0.00 N ATOM 1927 CA GLY A 126 8.812 0.748 -12.324 1.00 0.00 C ATOM 1928 C GLY A 126 9.968 0.387 -11.388 1.00 0.00 C ATOM 1929 O GLY A 126 10.298 -0.787 -11.229 1.00 0.00 O ATOM 0 H GLY A 126 7.693 1.371 -10.665 1.00 0.00 H new ATOM 0 HA2 GLY A 126 8.679 -0.041 -13.064 1.00 0.00 H new ATOM 0 HA3 GLY A 126 9.053 1.660 -12.870 1.00 0.00 H new ATOM 1933 N ALA A 127 10.551 1.418 -10.795 1.00 0.00 N ATOM 1934 CA ALA A 127 11.662 1.224 -9.878 1.00 0.00 C ATOM 1935 C ALA A 127 11.128 0.733 -8.532 1.00 0.00 C ATOM 1936 O ALA A 127 10.652 1.528 -7.723 1.00 0.00 O ATOM 1937 CB ALA A 127 12.453 2.527 -9.753 1.00 0.00 C ATOM 0 H ALA A 127 10.275 2.391 -10.931 1.00 0.00 H new ATOM 0 HA ALA A 127 12.345 0.464 -10.257 1.00 0.00 H new ATOM 0 HB1 ALA A 127 13.286 2.382 -9.065 1.00 0.00 H new ATOM 0 HB2 ALA A 127 12.836 2.815 -10.732 1.00 0.00 H new ATOM 0 HB3 ALA A 127 11.801 3.313 -9.372 1.00 0.00 H new ATOM 1943 N LEU A 128 11.224 -0.573 -8.333 1.00 0.00 N ATOM 1944 CA LEU A 128 10.757 -1.178 -7.098 1.00 0.00 C ATOM 1945 C LEU A 128 11.519 -0.574 -5.917 1.00 0.00 C ATOM 1946 O LEU A 128 10.950 0.169 -5.121 1.00 0.00 O ATOM 1947 CB LEU A 128 10.855 -2.703 -7.178 1.00 0.00 C ATOM 1948 CG LEU A 128 10.718 -3.312 -8.575 1.00 0.00 C ATOM 1949 CD1 LEU A 128 10.643 -4.839 -8.503 1.00 0.00 C ATOM 1950 CD2 LEU A 128 9.520 -2.714 -9.317 1.00 0.00 C ATOM 0 H LEU A 128 11.619 -1.229 -9.007 1.00 0.00 H new ATOM 0 HA LEU A 128 9.701 -0.957 -6.942 1.00 0.00 H new ATOM 0 HB2 LEU A 128 11.816 -3.008 -6.763 1.00 0.00 H new ATOM 0 HB3 LEU A 128 10.082 -3.131 -6.539 1.00 0.00 H new ATOM 0 HG LEU A 128 11.611 -3.060 -9.147 1.00 0.00 H new ATOM 0 HD11 LEU A 128 10.546 -5.246 -9.509 1.00 0.00 H new ATOM 0 HD12 LEU A 128 11.551 -5.226 -8.041 1.00 0.00 H new ATOM 0 HD13 LEU A 128 9.779 -5.133 -7.908 1.00 0.00 H new ATOM 0 HD21 LEU A 128 9.444 -3.163 -10.307 1.00 0.00 H new ATOM 0 HD22 LEU A 128 8.607 -2.916 -8.756 1.00 0.00 H new ATOM 0 HD23 LEU A 128 9.654 -1.637 -9.416 1.00 0.00 H new ATOM 1962 N LYS A 129 12.797 -0.917 -5.843 1.00 0.00 N ATOM 1963 CA LYS A 129 13.645 -0.417 -4.773 1.00 0.00 C ATOM 1964 C LYS A 129 13.602 1.113 -4.767 1.00 0.00 C ATOM 1965 O LYS A 129 14.308 1.760 -5.540 1.00 0.00 O ATOM 1966 CB LYS A 129 15.056 -0.992 -4.894 1.00 0.00 C ATOM 1967 CG LYS A 129 15.069 -2.487 -4.566 1.00 0.00 C ATOM 1968 CD LYS A 129 16.461 -3.084 -4.785 1.00 0.00 C ATOM 1969 CE LYS A 129 16.752 -3.266 -6.275 1.00 0.00 C ATOM 1970 NZ LYS A 129 17.627 -2.180 -6.769 1.00 0.00 N ATOM 0 H LYS A 129 13.266 -1.535 -6.506 1.00 0.00 H new ATOM 0 HA LYS A 129 13.273 -0.751 -3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 129 15.431 -0.835 -5.905 1.00 0.00 H new ATOM 0 HB3 LYS A 129 15.728 -0.462 -4.219 1.00 0.00 H new ATOM 0 HG2 LYS A 129 14.763 -2.639 -3.531 1.00 0.00 H new ATOM 0 HG3 LYS A 129 14.344 -3.007 -5.192 1.00 0.00 H new ATOM 0 HD2 LYS A 129 17.214 -2.433 -4.341 1.00 0.00 H new ATOM 0 HD3 LYS A 129 16.532 -4.046 -4.277 1.00 0.00 H new ATOM 0 HE2 LYS A 129 17.230 -4.231 -6.443 1.00 0.00 H new ATOM 0 HE3 LYS A 129 15.817 -3.272 -6.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 17.364 -1.940 -7.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 17.515 -1.341 -6.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 18.618 -2.494 -6.744 1.00 0.00 H new TER 1984 LYS A 129