USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 831 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 99 MET CE :methyl -154:sc= -2.32 (180deg=-3.47!) USER MOD Set 1.2: A 150 SER OG : rot -36:sc= 0.841 USER MOD Set 2.1: A 137 TYR OH : rot -15:sc= -1.09! USER MOD Set 2.2: A 139 TYR OH : rot -115:sc= -4.6! USER MOD Set 3.1: A 56 LYS NZ :NH3+ -137:sc= -4.8! (180deg=-11.3!) USER MOD Set 3.2: A 61 THR OG1 : rot 180:sc= -1.33! USER MOD Set 4.1: A 28 ASN : amide:sc= -10.2! C(o=-16!,f=-14!) USER MOD Set 4.2: A 54 SER OG : rot -100:sc= -6.02! USER MOD Set 5.1: A 2 TYR OH : rot 129:sc= 0.26 USER MOD Set 5.2: A 3 GLN : amide:sc= -0.0408 K(o=0.22,f=-0.47) USER MOD Single : A 1 GLU N :NH3+ 150:sc= -1.06 (180deg=-3.66!) USER MOD Single : A 7 ASN : amide:sc= -0.0431 K(o=-0.043,f=-2.1!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -7.22! C(o=-7.2!,f=-3.8!) USER MOD Single : A 15 SER OG : rot -152:sc= -0.956! USER MOD Single : A 18 TYR OH : rot 180:sc= -1.88! USER MOD Single : A 20 SER OG : rot 180:sc= -0.477 USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.97! USER MOD Single : A 32 SER OG : rot -179:sc= -1.45! USER MOD Single : A 38 THR OG1 : rot 72:sc= -1.68! USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -0.0536 X(o=-0.054,f=-0.0017) USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.71! USER MOD Single : A 57 THR OG1 : rot -57:sc= 0.547 USER MOD Single : A 58 GLN : amide:sc= -0.0979 K(o=-0.098,f=-1.1) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= -6.42! C(o=-6.4!,f=-17!) USER MOD Single : A 67 GLN : amide:sc= -3.09! X(o=-3.1!,f=-2.7) USER MOD Single : A 68 CYS SG : rot 33:sc= 0.935 USER MOD Single : A 72 SER OG : rot 80:sc= -1.11! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HE2:sc= -19.8! C(o=-20!,f=-23!) USER MOD Single : A 98 TYR OH : rot -65:sc= -2.62! USER MOD Single : A 136 TYR OH : rot 121:sc= -6.72! USER MOD Single : A 140 SER OG : rot -62:sc= 1.03 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 SER OG : rot 56:sc= 0.155 USER MOD Single : B 165 SER OG : rot 34:sc= 0.0553 USER MOD Single : B 166 THR OG1 : rot 180:sc= -0.142 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -6.979 -23.754 7.301 1.00 0.00 N ATOM 2 CA GLU A 1 -6.424 -22.601 8.068 1.00 0.00 C ATOM 3 C GLU A 1 -6.124 -21.429 7.128 1.00 0.00 C ATOM 4 O GLU A 1 -6.442 -20.293 7.417 1.00 0.00 O ATOM 5 CB GLU A 1 -5.134 -23.122 8.711 1.00 0.00 C ATOM 6 CG GLU A 1 -4.396 -24.042 7.734 1.00 0.00 C ATOM 7 CD GLU A 1 -2.972 -23.526 7.519 1.00 0.00 C ATOM 8 OE1 GLU A 1 -2.569 -22.637 8.251 1.00 0.00 O ATOM 9 OE2 GLU A 1 -2.309 -24.028 6.626 1.00 0.00 O ATOM 0 H1 GLU A 1 -6.714 -24.643 7.771 1.00 0.00 H new ATOM 0 H2 GLU A 1 -8.015 -23.678 7.262 1.00 0.00 H new ATOM 0 H3 GLU A 1 -6.595 -23.745 6.335 1.00 0.00 H new ATOM 0 HA GLU A 1 -7.127 -22.234 8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -4.493 -22.285 8.990 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -5.368 -23.664 9.627 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -4.370 -25.059 8.126 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -4.927 -24.080 6.783 1.00 0.00 H new ATOM 15 N TYR A 2 -5.514 -21.695 6.004 1.00 0.00 N ATOM 16 CA TYR A 2 -5.197 -20.594 5.049 1.00 0.00 C ATOM 17 C TYR A 2 -6.487 -19.930 4.559 1.00 0.00 C ATOM 18 O TYR A 2 -6.538 -18.736 4.343 1.00 0.00 O ATOM 19 CB TYR A 2 -4.469 -21.273 3.889 1.00 0.00 C ATOM 20 CG TYR A 2 -5.455 -22.077 3.076 1.00 0.00 C ATOM 21 CD1 TYR A 2 -5.733 -23.403 3.424 1.00 0.00 C ATOM 22 CD2 TYR A 2 -6.092 -21.495 1.974 1.00 0.00 C ATOM 23 CE1 TYR A 2 -6.647 -24.148 2.671 1.00 0.00 C ATOM 24 CE2 TYR A 2 -7.007 -22.240 1.220 1.00 0.00 C ATOM 25 CZ TYR A 2 -7.284 -23.567 1.568 1.00 0.00 C ATOM 26 OH TYR A 2 -8.185 -24.301 0.825 1.00 0.00 O ATOM 0 H TYR A 2 -5.222 -22.626 5.706 1.00 0.00 H new ATOM 0 HA TYR A 2 -4.592 -19.811 5.507 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -3.988 -20.524 3.260 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -3.681 -21.923 4.271 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -5.242 -23.852 4.275 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -5.878 -20.471 1.705 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -6.861 -25.172 2.941 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -7.499 -21.791 0.370 1.00 0.00 H new ATOM 0 HH TYR A 2 -9.018 -23.794 0.727 1.00 0.00 H new ATOM 36 N GLN A 3 -7.529 -20.695 4.382 1.00 0.00 N ATOM 37 CA GLN A 3 -8.813 -20.106 3.905 1.00 0.00 C ATOM 38 C GLN A 3 -9.242 -18.960 4.825 1.00 0.00 C ATOM 39 O GLN A 3 -9.826 -17.988 4.391 1.00 0.00 O ATOM 40 CB GLN A 3 -9.824 -21.251 3.966 1.00 0.00 C ATOM 41 CG GLN A 3 -11.006 -20.937 3.048 1.00 0.00 C ATOM 42 CD GLN A 3 -10.552 -21.003 1.589 1.00 0.00 C ATOM 43 OE1 GLN A 3 -10.172 -22.050 1.105 1.00 0.00 O ATOM 44 NE2 GLN A 3 -10.576 -19.919 0.861 1.00 0.00 N ATOM 0 H GLN A 3 -7.547 -21.701 4.547 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.729 -19.692 2.900 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -9.351 -22.185 3.661 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -10.172 -21.389 4.990 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -11.813 -21.649 3.221 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -11.401 -19.946 3.272 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -10.895 -19.039 1.267 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -10.276 -19.952 -0.113 1.00 0.00 H new ATOM 53 N LEU A 4 -8.955 -19.067 6.094 1.00 0.00 N ATOM 54 CA LEU A 4 -9.346 -17.981 7.038 1.00 0.00 C ATOM 55 C LEU A 4 -8.743 -16.649 6.584 1.00 0.00 C ATOM 56 O LEU A 4 -9.416 -15.638 6.531 1.00 0.00 O ATOM 57 CB LEU A 4 -8.766 -18.402 8.387 1.00 0.00 C ATOM 58 CG LEU A 4 -9.777 -18.099 9.492 1.00 0.00 C ATOM 59 CD1 LEU A 4 -10.498 -19.388 9.894 1.00 0.00 C ATOM 60 CD2 LEU A 4 -9.049 -17.524 10.708 1.00 0.00 C ATOM 0 H LEU A 4 -8.468 -19.857 6.517 1.00 0.00 H new ATOM 0 HA LEU A 4 -10.426 -17.841 7.086 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.530 -19.466 8.377 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.834 -17.870 8.576 1.00 0.00 H new ATOM 0 HG LEU A 4 -10.504 -17.374 9.127 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.219 -19.171 10.682 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.019 -19.799 9.029 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.770 -20.114 10.258 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.771 -17.308 11.496 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.320 -18.248 11.072 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.536 -16.605 10.424 1.00 0.00 H new ATOM 72 N VAL A 5 -7.482 -16.642 6.253 1.00 0.00 N ATOM 73 CA VAL A 5 -6.837 -15.378 5.799 1.00 0.00 C ATOM 74 C VAL A 5 -7.545 -14.851 4.547 1.00 0.00 C ATOM 75 O VAL A 5 -7.830 -13.676 4.432 1.00 0.00 O ATOM 76 CB VAL A 5 -5.383 -15.765 5.496 1.00 0.00 C ATOM 77 CG1 VAL A 5 -5.151 -15.808 3.983 1.00 0.00 C ATOM 78 CG2 VAL A 5 -4.445 -14.736 6.124 1.00 0.00 C ATOM 0 H VAL A 5 -6.870 -17.457 6.277 1.00 0.00 H new ATOM 0 HA VAL A 5 -6.892 -14.584 6.544 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.183 -16.752 5.913 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.116 -16.084 3.781 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -5.817 -16.545 3.534 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -5.355 -14.826 3.556 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.411 -15.008 5.911 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -4.654 -13.751 5.707 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.599 -14.714 7.203 1.00 0.00 H new ATOM 88 N VAL A 6 -7.835 -15.713 3.613 1.00 0.00 N ATOM 89 CA VAL A 6 -8.530 -15.263 2.373 1.00 0.00 C ATOM 90 C VAL A 6 -9.870 -14.617 2.734 1.00 0.00 C ATOM 91 O VAL A 6 -10.173 -13.519 2.315 1.00 0.00 O ATOM 92 CB VAL A 6 -8.748 -16.536 1.555 1.00 0.00 C ATOM 93 CG1 VAL A 6 -9.611 -16.217 0.333 1.00 0.00 C ATOM 94 CG2 VAL A 6 -7.395 -17.083 1.094 1.00 0.00 C ATOM 0 H VAL A 6 -7.621 -16.710 3.654 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.955 -14.521 1.819 1.00 0.00 H new ATOM 0 HB VAL A 6 -9.252 -17.281 2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.766 -17.125 -0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.575 -15.827 0.660 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.108 -15.472 -0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.549 -17.991 0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.892 -16.337 0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.779 -17.311 1.964 1.00 0.00 H new ATOM 104 N ASN A 7 -10.672 -15.289 3.516 1.00 0.00 N ATOM 105 CA ASN A 7 -11.986 -14.705 3.909 1.00 0.00 C ATOM 106 C ASN A 7 -11.760 -13.386 4.651 1.00 0.00 C ATOM 107 O ASN A 7 -12.400 -12.390 4.379 1.00 0.00 O ATOM 108 CB ASN A 7 -12.623 -15.743 4.833 1.00 0.00 C ATOM 109 CG ASN A 7 -13.074 -16.951 4.010 1.00 0.00 C ATOM 110 OD1 ASN A 7 -12.832 -17.014 2.821 1.00 0.00 O ATOM 111 ND2 ASN A 7 -13.722 -17.920 4.596 1.00 0.00 N ATOM 0 H ASN A 7 -10.475 -16.214 3.898 1.00 0.00 H new ATOM 0 HA ASN A 7 -12.622 -14.488 3.051 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -11.908 -16.055 5.594 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -13.475 -15.307 5.355 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -14.025 -18.730 4.056 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -13.925 -17.867 5.594 1.00 0.00 H new ATOM 118 N ALA A 8 -10.843 -13.373 5.580 1.00 0.00 N ATOM 119 CA ALA A 8 -10.560 -12.118 6.333 1.00 0.00 C ATOM 120 C ALA A 8 -10.039 -11.050 5.374 1.00 0.00 C ATOM 121 O ALA A 8 -10.436 -9.904 5.424 1.00 0.00 O ATOM 122 CB ALA A 8 -9.477 -12.501 7.336 1.00 0.00 C ATOM 0 H ALA A 8 -10.277 -14.178 5.850 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.446 -11.713 6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.210 -11.629 7.933 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.849 -13.289 7.990 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.597 -12.859 6.802 1.00 0.00 H new ATOM 128 N VAL A 9 -9.155 -11.428 4.493 1.00 0.00 N ATOM 129 CA VAL A 9 -8.609 -10.449 3.516 1.00 0.00 C ATOM 130 C VAL A 9 -9.758 -9.835 2.721 1.00 0.00 C ATOM 131 O VAL A 9 -9.769 -8.657 2.430 1.00 0.00 O ATOM 132 CB VAL A 9 -7.695 -11.265 2.601 1.00 0.00 C ATOM 133 CG1 VAL A 9 -7.384 -10.459 1.339 1.00 0.00 C ATOM 134 CG2 VAL A 9 -6.392 -11.585 3.336 1.00 0.00 C ATOM 0 H VAL A 9 -8.787 -12.376 4.408 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.069 -9.632 3.994 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.194 -12.194 2.324 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.732 -11.041 0.687 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.312 -10.231 0.815 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.885 -9.530 1.614 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.740 -12.167 2.684 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.893 -10.656 3.613 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.613 -12.160 4.235 1.00 0.00 H new ATOM 144 N ARG A 10 -10.730 -10.631 2.372 1.00 0.00 N ATOM 145 CA ARG A 10 -11.887 -10.098 1.598 1.00 0.00 C ATOM 146 C ARG A 10 -12.518 -8.923 2.348 1.00 0.00 C ATOM 147 O ARG A 10 -12.887 -7.925 1.760 1.00 0.00 O ATOM 148 CB ARG A 10 -12.870 -11.266 1.500 1.00 0.00 C ATOM 149 CG ARG A 10 -14.231 -10.752 1.028 1.00 0.00 C ATOM 150 CD ARG A 10 -14.155 -10.388 -0.456 1.00 0.00 C ATOM 151 NE ARG A 10 -15.561 -10.460 -0.941 1.00 0.00 N ATOM 152 CZ ARG A 10 -15.822 -10.320 -2.212 1.00 0.00 C ATOM 153 NH1 ARG A 10 -14.853 -10.118 -3.062 1.00 0.00 N ATOM 154 NH2 ARG A 10 -17.056 -10.384 -2.635 1.00 0.00 N ATOM 0 H ARG A 10 -10.774 -11.627 2.589 1.00 0.00 H new ATOM 0 HA ARG A 10 -11.597 -9.730 0.614 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.492 -12.016 0.805 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -12.970 -11.753 2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -14.994 -11.514 1.187 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.524 -9.880 1.612 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -13.739 -9.390 -0.597 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -13.513 -11.081 -1.000 1.00 0.00 H new ATOM 0 HE ARG A 10 -16.321 -10.619 -0.279 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -13.889 -10.069 -2.734 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -15.060 -10.009 -4.055 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -17.815 -10.543 -1.972 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.261 -10.275 -3.628 1.00 0.00 H new ATOM 168 N LYS A 11 -12.638 -9.029 3.643 1.00 0.00 N ATOM 169 CA LYS A 11 -13.236 -7.913 4.429 1.00 0.00 C ATOM 170 C LYS A 11 -12.203 -6.799 4.618 1.00 0.00 C ATOM 171 O LYS A 11 -12.507 -5.629 4.499 1.00 0.00 O ATOM 172 CB LYS A 11 -13.614 -8.532 5.776 1.00 0.00 C ATOM 173 CG LYS A 11 -14.509 -9.751 5.544 1.00 0.00 C ATOM 174 CD LYS A 11 -15.614 -9.783 6.603 1.00 0.00 C ATOM 175 CE LYS A 11 -15.614 -11.144 7.302 1.00 0.00 C ATOM 176 NZ LYS A 11 -17.027 -11.611 7.236 1.00 0.00 N ATOM 0 H LYS A 11 -12.348 -9.839 4.190 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.099 -7.470 3.933 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.715 -8.825 6.318 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.133 -7.798 6.393 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.947 -9.709 4.547 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.917 -10.665 5.593 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.456 -8.988 7.332 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -16.583 -9.601 6.138 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.943 -11.844 6.803 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.275 -11.058 8.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.107 -12.540 7.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.641 -10.929 7.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -17.320 -11.691 6.241 1.00 0.00 H new ATOM 190 N LEU A 12 -10.981 -7.157 4.908 1.00 0.00 N ATOM 191 CA LEU A 12 -9.923 -6.123 5.100 1.00 0.00 C ATOM 192 C LEU A 12 -9.552 -5.500 3.750 1.00 0.00 C ATOM 193 O LEU A 12 -9.321 -4.312 3.646 1.00 0.00 O ATOM 194 CB LEU A 12 -8.737 -6.885 5.703 1.00 0.00 C ATOM 195 CG LEU A 12 -7.416 -6.298 5.196 1.00 0.00 C ATOM 196 CD1 LEU A 12 -7.254 -4.867 5.714 1.00 0.00 C ATOM 197 CD2 LEU A 12 -6.253 -7.153 5.703 1.00 0.00 C ATOM 0 H LEU A 12 -10.669 -8.122 5.020 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.243 -5.304 5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.774 -6.828 6.791 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.800 -7.940 5.437 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.420 -6.290 4.106 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.313 -4.453 5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.082 -4.255 5.356 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.251 -4.873 6.804 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.312 -6.737 5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.254 -7.159 6.793 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.363 -8.173 5.334 1.00 0.00 H new ATOM 209 N GLN A 13 -9.495 -6.294 2.716 1.00 0.00 N ATOM 210 CA GLN A 13 -9.140 -5.747 1.375 1.00 0.00 C ATOM 211 C GLN A 13 -10.230 -4.789 0.891 1.00 0.00 C ATOM 212 O GLN A 13 -9.960 -3.812 0.221 1.00 0.00 O ATOM 213 CB GLN A 13 -9.045 -6.968 0.458 1.00 0.00 C ATOM 214 CG GLN A 13 -10.451 -7.435 0.072 1.00 0.00 C ATOM 215 CD GLN A 13 -10.350 -8.562 -0.956 1.00 0.00 C ATOM 216 OE1 GLN A 13 -11.216 -8.714 -1.794 1.00 0.00 O ATOM 217 NE2 GLN A 13 -9.321 -9.365 -0.928 1.00 0.00 N ATOM 0 H GLN A 13 -9.679 -7.297 2.741 1.00 0.00 H new ATOM 0 HA GLN A 13 -8.208 -5.182 1.392 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.476 -6.719 -0.437 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.510 -7.773 0.962 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.986 -7.782 0.956 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -11.022 -6.603 -0.340 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.594 -9.238 -0.224 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -9.244 -10.120 -1.610 1.00 0.00 H new ATOM 226 N GLU A 14 -11.462 -5.060 1.226 1.00 0.00 N ATOM 227 CA GLU A 14 -12.566 -4.161 0.786 1.00 0.00 C ATOM 228 C GLU A 14 -12.314 -2.739 1.291 1.00 0.00 C ATOM 229 O GLU A 14 -12.874 -1.783 0.789 1.00 0.00 O ATOM 230 CB GLU A 14 -13.829 -4.743 1.423 1.00 0.00 C ATOM 231 CG GLU A 14 -14.957 -4.769 0.389 1.00 0.00 C ATOM 232 CD GLU A 14 -15.136 -6.195 -0.134 1.00 0.00 C ATOM 233 OE1 GLU A 14 -14.135 -6.867 -0.321 1.00 0.00 O ATOM 234 OE2 GLU A 14 -16.272 -6.591 -0.339 1.00 0.00 O ATOM 0 H GLU A 14 -11.751 -5.863 1.784 1.00 0.00 H new ATOM 0 HA GLU A 14 -12.649 -4.104 -0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.633 -5.751 1.789 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -14.124 -4.143 2.284 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -15.885 -4.416 0.839 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -14.725 -4.094 -0.435 1.00 0.00 H new ATOM 241 N SER A 15 -11.476 -2.591 2.280 1.00 0.00 N ATOM 242 CA SER A 15 -11.188 -1.230 2.814 1.00 0.00 C ATOM 243 C SER A 15 -10.682 -0.321 1.691 1.00 0.00 C ATOM 244 O SER A 15 -11.092 0.817 1.570 1.00 0.00 O ATOM 245 CB SER A 15 -10.102 -1.442 3.866 1.00 0.00 C ATOM 246 OG SER A 15 -10.331 -0.565 4.962 1.00 0.00 O ATOM 0 H SER A 15 -10.979 -3.353 2.741 1.00 0.00 H new ATOM 0 HA SER A 15 -12.073 -0.752 3.234 1.00 0.00 H new ATOM 0 HB2 SER A 15 -10.107 -2.477 4.207 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.119 -1.253 3.434 1.00 0.00 H new ATOM 0 HG SER A 15 -9.478 -0.355 5.396 1.00 0.00 H new ATOM 252 N GLY A 16 -9.805 -0.815 0.860 1.00 0.00 N ATOM 253 CA GLY A 16 -9.293 0.023 -0.262 1.00 0.00 C ATOM 254 C GLY A 16 -7.791 0.277 -0.105 1.00 0.00 C ATOM 255 O GLY A 16 -7.285 1.299 -0.527 1.00 0.00 O ATOM 0 H GLY A 16 -9.422 -1.759 0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.485 -0.475 -1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.827 0.973 -0.286 1.00 0.00 H new ATOM 259 N PHE A 17 -7.063 -0.638 0.478 1.00 0.00 N ATOM 260 CA PHE A 17 -5.593 -0.416 0.626 1.00 0.00 C ATOM 261 C PHE A 17 -4.855 -1.739 0.859 1.00 0.00 C ATOM 262 O PHE A 17 -3.858 -1.787 1.551 1.00 0.00 O ATOM 263 CB PHE A 17 -5.431 0.516 1.831 1.00 0.00 C ATOM 264 CG PHE A 17 -6.226 0.000 3.009 1.00 0.00 C ATOM 265 CD1 PHE A 17 -5.948 -1.261 3.550 1.00 0.00 C ATOM 266 CD2 PHE A 17 -7.235 0.794 3.567 1.00 0.00 C ATOM 267 CE1 PHE A 17 -6.681 -1.728 4.648 1.00 0.00 C ATOM 268 CE2 PHE A 17 -7.968 0.327 4.664 1.00 0.00 C ATOM 269 CZ PHE A 17 -7.691 -0.934 5.205 1.00 0.00 C ATOM 0 H PHE A 17 -7.415 -1.518 0.854 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.166 0.018 -0.278 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.378 0.592 2.101 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.766 1.520 1.570 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.169 -1.873 3.121 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -7.448 1.768 3.151 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.467 -2.701 5.065 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -8.747 0.939 5.093 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.256 -1.294 6.052 1.00 0.00 H new ATOM 279 N TYR A 18 -5.319 -2.810 0.273 1.00 0.00 N ATOM 280 CA TYR A 18 -4.621 -4.115 0.457 1.00 0.00 C ATOM 281 C TYR A 18 -3.577 -4.301 -0.643 1.00 0.00 C ATOM 282 O TYR A 18 -3.837 -4.066 -1.805 1.00 0.00 O ATOM 283 CB TYR A 18 -5.710 -5.181 0.342 1.00 0.00 C ATOM 284 CG TYR A 18 -5.107 -6.546 0.590 1.00 0.00 C ATOM 285 CD1 TYR A 18 -4.092 -7.033 -0.247 1.00 0.00 C ATOM 286 CD2 TYR A 18 -5.561 -7.325 1.662 1.00 0.00 C ATOM 287 CE1 TYR A 18 -3.534 -8.294 -0.011 1.00 0.00 C ATOM 288 CE2 TYR A 18 -5.002 -8.588 1.897 1.00 0.00 C ATOM 289 CZ TYR A 18 -3.989 -9.071 1.061 1.00 0.00 C ATOM 290 OH TYR A 18 -3.438 -10.315 1.293 1.00 0.00 O ATOM 0 H TYR A 18 -6.147 -2.838 -0.322 1.00 0.00 H new ATOM 0 HA TYR A 18 -4.103 -4.173 1.414 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -6.503 -4.985 1.064 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -6.164 -5.147 -0.648 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -3.741 -6.434 -1.074 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -6.342 -6.952 2.308 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -2.752 -8.668 -0.656 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -5.353 -9.189 2.723 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.866 -10.721 2.075 1.00 0.00 H new ATOM 300 N TRP A 19 -2.399 -4.726 -0.285 1.00 0.00 N ATOM 301 CA TRP A 19 -1.340 -4.928 -1.313 1.00 0.00 C ATOM 302 C TRP A 19 -0.804 -6.359 -1.250 1.00 0.00 C ATOM 303 O TRP A 19 -0.763 -6.972 -0.204 1.00 0.00 O ATOM 304 CB TRP A 19 -0.247 -3.928 -0.956 1.00 0.00 C ATOM 305 CG TRP A 19 -0.644 -2.570 -1.437 1.00 0.00 C ATOM 306 CD1 TRP A 19 -1.657 -1.834 -0.927 1.00 0.00 C ATOM 307 CD2 TRP A 19 -0.057 -1.776 -2.507 1.00 0.00 C ATOM 308 NE1 TRP A 19 -1.731 -0.638 -1.616 1.00 0.00 N ATOM 309 CE2 TRP A 19 -0.766 -0.555 -2.600 1.00 0.00 C ATOM 310 CE3 TRP A 19 1.009 -1.994 -3.398 1.00 0.00 C ATOM 311 CZ2 TRP A 19 -0.428 0.416 -3.544 1.00 0.00 C ATOM 312 CZ3 TRP A 19 1.352 -1.019 -4.349 1.00 0.00 C ATOM 313 CH2 TRP A 19 0.634 0.184 -4.421 1.00 0.00 C ATOM 0 H TRP A 19 -2.123 -4.942 0.673 1.00 0.00 H new ATOM 0 HA TRP A 19 -1.714 -4.777 -2.326 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -0.090 -3.913 0.123 1.00 0.00 H new ATOM 0 HB3 TRP A 19 0.697 -4.226 -1.411 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -2.303 -2.132 -0.114 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -2.415 0.094 -1.421 1.00 0.00 H new ATOM 0 HE3 TRP A 19 1.568 -2.917 -3.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -0.984 1.340 -3.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.173 -1.196 -5.028 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.902 0.930 -5.154 1.00 0.00 H new ATOM 324 N SER A 20 -0.394 -6.893 -2.364 1.00 0.00 N ATOM 325 CA SER A 20 0.142 -8.283 -2.380 1.00 0.00 C ATOM 326 C SER A 20 1.212 -8.401 -3.461 1.00 0.00 C ATOM 327 O SER A 20 1.483 -9.468 -3.976 1.00 0.00 O ATOM 328 CB SER A 20 -1.054 -9.157 -2.725 1.00 0.00 C ATOM 329 OG SER A 20 -1.357 -10.002 -1.622 1.00 0.00 O ATOM 0 H SER A 20 -0.407 -6.425 -3.270 1.00 0.00 H new ATOM 0 HA SER A 20 0.598 -8.571 -1.433 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.915 -8.534 -2.967 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.836 -9.758 -3.608 1.00 0.00 H new ATOM 0 HG SER A 20 -2.129 -10.564 -1.843 1.00 0.00 H new ATOM 335 N ALA A 21 1.808 -7.303 -3.818 1.00 0.00 N ATOM 336 CA ALA A 21 2.853 -7.328 -4.881 1.00 0.00 C ATOM 337 C ALA A 21 4.222 -6.942 -4.314 1.00 0.00 C ATOM 338 O ALA A 21 5.207 -6.905 -5.025 1.00 0.00 O ATOM 339 CB ALA A 21 2.393 -6.295 -5.909 1.00 0.00 C ATOM 0 H ALA A 21 1.618 -6.383 -3.420 1.00 0.00 H new ATOM 0 HA ALA A 21 2.967 -8.322 -5.313 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.111 -6.252 -6.728 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.415 -6.579 -6.298 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.324 -5.316 -5.435 1.00 0.00 H new ATOM 345 N VAL A 22 4.302 -6.658 -3.043 1.00 0.00 N ATOM 346 CA VAL A 22 5.617 -6.285 -2.454 1.00 0.00 C ATOM 347 C VAL A 22 6.138 -7.431 -1.589 1.00 0.00 C ATOM 348 O VAL A 22 5.741 -8.569 -1.743 1.00 0.00 O ATOM 349 CB VAL A 22 5.360 -5.033 -1.603 1.00 0.00 C ATOM 350 CG1 VAL A 22 5.972 -3.818 -2.299 1.00 0.00 C ATOM 351 CG2 VAL A 22 3.855 -4.806 -1.430 1.00 0.00 C ATOM 0 H VAL A 22 3.518 -6.668 -2.391 1.00 0.00 H new ATOM 0 HA VAL A 22 6.367 -6.089 -3.220 1.00 0.00 H new ATOM 0 HB VAL A 22 5.814 -5.173 -0.622 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.792 -2.926 -1.699 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.046 -3.967 -2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.515 -3.693 -3.281 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.689 -3.915 -0.825 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.393 -4.672 -2.408 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.411 -5.669 -0.934 1.00 0.00 H new ATOM 361 N THR A 23 7.024 -7.143 -0.680 1.00 0.00 N ATOM 362 CA THR A 23 7.570 -8.221 0.193 1.00 0.00 C ATOM 363 C THR A 23 6.898 -8.176 1.566 1.00 0.00 C ATOM 364 O THR A 23 6.174 -7.253 1.884 1.00 0.00 O ATOM 365 CB THR A 23 9.064 -7.919 0.313 1.00 0.00 C ATOM 366 OG1 THR A 23 9.468 -7.090 -0.768 1.00 0.00 O ATOM 367 CG2 THR A 23 9.857 -9.227 0.278 1.00 0.00 C ATOM 0 H THR A 23 7.395 -6.210 -0.502 1.00 0.00 H new ATOM 0 HA THR A 23 7.391 -9.215 -0.216 1.00 0.00 H new ATOM 0 HB THR A 23 9.255 -7.406 1.256 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.425 -6.895 -0.691 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.922 -9.009 0.364 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.548 -9.862 1.109 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.667 -9.743 -0.663 1.00 0.00 H new ATOM 375 N GLY A 24 7.131 -9.166 2.382 1.00 0.00 N ATOM 376 CA GLY A 24 6.504 -9.182 3.732 1.00 0.00 C ATOM 377 C GLY A 24 6.582 -7.785 4.351 1.00 0.00 C ATOM 378 O GLY A 24 5.621 -7.042 4.357 1.00 0.00 O ATOM 0 H GLY A 24 7.729 -9.965 2.172 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.464 -9.500 3.657 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.013 -9.903 4.372 1.00 0.00 H new ATOM 382 N GLY A 25 7.720 -7.426 4.876 1.00 0.00 N ATOM 383 CA GLY A 25 7.869 -6.083 5.503 1.00 0.00 C ATOM 384 C GLY A 25 8.072 -5.017 4.429 1.00 0.00 C ATOM 385 O GLY A 25 7.693 -3.876 4.601 1.00 0.00 O ATOM 0 H GLY A 25 8.557 -8.008 4.898 1.00 0.00 H new ATOM 0 HA2 GLY A 25 6.983 -5.850 6.094 1.00 0.00 H new ATOM 0 HA3 GLY A 25 8.717 -6.086 6.187 1.00 0.00 H new ATOM 389 N GLU A 26 8.682 -5.366 3.331 1.00 0.00 N ATOM 390 CA GLU A 26 8.920 -4.349 2.271 1.00 0.00 C ATOM 391 C GLU A 26 7.593 -3.746 1.816 1.00 0.00 C ATOM 392 O GLU A 26 7.497 -2.562 1.562 1.00 0.00 O ATOM 393 CB GLU A 26 9.589 -5.109 1.126 1.00 0.00 C ATOM 394 CG GLU A 26 10.390 -4.131 0.264 1.00 0.00 C ATOM 395 CD GLU A 26 11.561 -3.574 1.077 1.00 0.00 C ATOM 396 OE1 GLU A 26 12.591 -4.225 1.118 1.00 0.00 O ATOM 397 OE2 GLU A 26 11.406 -2.504 1.643 1.00 0.00 O ATOM 0 H GLU A 26 9.024 -6.304 3.123 1.00 0.00 H new ATOM 0 HA GLU A 26 9.540 -3.525 2.622 1.00 0.00 H new ATOM 0 HB2 GLU A 26 10.246 -5.882 1.524 1.00 0.00 H new ATOM 0 HB3 GLU A 26 8.835 -5.612 0.520 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.761 -4.636 -0.628 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.748 -3.317 -0.073 1.00 0.00 H new ATOM 404 N ALA A 27 6.562 -4.536 1.732 1.00 0.00 N ATOM 405 CA ALA A 27 5.250 -3.972 1.319 1.00 0.00 C ATOM 406 C ALA A 27 4.820 -2.920 2.344 1.00 0.00 C ATOM 407 O ALA A 27 4.484 -1.803 2.002 1.00 0.00 O ATOM 408 CB ALA A 27 4.281 -5.159 1.313 1.00 0.00 C ATOM 0 H ALA A 27 6.569 -5.537 1.929 1.00 0.00 H new ATOM 0 HA ALA A 27 5.282 -3.489 0.342 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.289 -4.818 1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.632 -5.911 0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.232 -5.594 2.311 1.00 0.00 H new ATOM 414 N ASN A 28 4.845 -3.267 3.606 1.00 0.00 N ATOM 415 CA ASN A 28 4.454 -2.287 4.664 1.00 0.00 C ATOM 416 C ASN A 28 5.506 -1.177 4.785 1.00 0.00 C ATOM 417 O ASN A 28 5.194 -0.003 4.810 1.00 0.00 O ATOM 418 CB ASN A 28 4.384 -3.099 5.959 1.00 0.00 C ATOM 419 CG ASN A 28 3.754 -4.464 5.676 1.00 0.00 C ATOM 420 OD1 ASN A 28 2.607 -4.551 5.287 1.00 0.00 O ATOM 421 ND2 ASN A 28 4.466 -5.542 5.857 1.00 0.00 N ATOM 0 H ASN A 28 5.120 -4.187 3.949 1.00 0.00 H new ATOM 0 HA ASN A 28 3.506 -1.800 4.436 1.00 0.00 H new ATOM 0 HB2 ASN A 28 5.384 -3.228 6.374 1.00 0.00 H new ATOM 0 HB3 ASN A 28 3.796 -2.563 6.704 1.00 0.00 H new ATOM 0 HD21 ASN A 28 4.059 -6.459 5.672 1.00 0.00 H new ATOM 0 HD22 ASN A 28 5.429 -5.468 6.184 1.00 0.00 H new ATOM 428 N LEU A 29 6.753 -1.554 4.877 1.00 0.00 N ATOM 429 CA LEU A 29 7.851 -0.550 5.017 1.00 0.00 C ATOM 430 C LEU A 29 7.882 0.409 3.822 1.00 0.00 C ATOM 431 O LEU A 29 8.247 1.560 3.952 1.00 0.00 O ATOM 432 CB LEU A 29 9.133 -1.378 5.093 1.00 0.00 C ATOM 433 CG LEU A 29 9.449 -1.701 6.559 1.00 0.00 C ATOM 434 CD1 LEU A 29 8.148 -1.929 7.338 1.00 0.00 C ATOM 435 CD2 LEU A 29 10.307 -2.967 6.625 1.00 0.00 C ATOM 0 H LEU A 29 7.063 -2.526 4.861 1.00 0.00 H new ATOM 0 HA LEU A 29 7.718 0.079 5.898 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.017 -2.300 4.523 1.00 0.00 H new ATOM 0 HB3 LEU A 29 9.960 -0.828 4.644 1.00 0.00 H new ATOM 0 HG LEU A 29 9.989 -0.864 7.001 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.382 -2.158 8.378 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.535 -1.029 7.293 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.601 -2.763 6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.533 -3.199 7.666 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.763 -3.799 6.178 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.236 -2.806 6.079 1.00 0.00 H new ATOM 447 N LEU A 30 7.509 -0.050 2.660 1.00 0.00 N ATOM 448 CA LEU A 30 7.527 0.846 1.467 1.00 0.00 C ATOM 449 C LEU A 30 6.717 2.106 1.762 1.00 0.00 C ATOM 450 O LEU A 30 6.913 3.140 1.154 1.00 0.00 O ATOM 451 CB LEU A 30 6.892 0.017 0.343 1.00 0.00 C ATOM 452 CG LEU A 30 5.818 0.835 -0.377 1.00 0.00 C ATOM 453 CD1 LEU A 30 6.473 2.006 -1.111 1.00 0.00 C ATOM 454 CD2 LEU A 30 5.092 -0.057 -1.388 1.00 0.00 C ATOM 0 H LEU A 30 7.193 -1.004 2.484 1.00 0.00 H new ATOM 0 HA LEU A 30 8.529 1.177 1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.659 -0.294 -0.367 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.452 -0.891 0.755 1.00 0.00 H new ATOM 0 HG LEU A 30 5.104 1.218 0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.707 2.588 -1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.992 2.641 -0.393 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.188 1.624 -1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.326 0.524 -1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.808 -0.439 -2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.624 -0.892 -0.866 1.00 0.00 H new ATOM 466 N LEU A 31 5.819 2.038 2.703 1.00 0.00 N ATOM 467 CA LEU A 31 5.020 3.246 3.040 1.00 0.00 C ATOM 468 C LEU A 31 5.965 4.360 3.495 1.00 0.00 C ATOM 469 O LEU A 31 5.751 5.524 3.220 1.00 0.00 O ATOM 470 CB LEU A 31 4.104 2.809 4.183 1.00 0.00 C ATOM 471 CG LEU A 31 3.266 1.614 3.733 1.00 0.00 C ATOM 472 CD1 LEU A 31 2.414 1.113 4.900 1.00 0.00 C ATOM 473 CD2 LEU A 31 2.355 2.043 2.583 1.00 0.00 C ATOM 0 H LEU A 31 5.605 1.204 3.250 1.00 0.00 H new ATOM 0 HA LEU A 31 4.447 3.628 2.195 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.697 2.542 5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.454 3.633 4.478 1.00 0.00 H new ATOM 0 HG LEU A 31 3.925 0.812 3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.817 0.260 4.575 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.064 0.810 5.721 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.753 1.911 5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.755 1.193 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.697 2.845 2.919 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.963 2.398 1.750 1.00 0.00 H new ATOM 485 N SER A 32 7.019 4.003 4.176 1.00 0.00 N ATOM 486 CA SER A 32 7.997 5.028 4.641 1.00 0.00 C ATOM 487 C SER A 32 8.757 5.609 3.448 1.00 0.00 C ATOM 488 O SER A 32 9.140 6.762 3.447 1.00 0.00 O ATOM 489 CB SER A 32 8.959 4.280 5.561 1.00 0.00 C ATOM 490 OG SER A 32 9.350 5.136 6.627 1.00 0.00 O ATOM 0 H SER A 32 7.246 3.042 4.432 1.00 0.00 H new ATOM 0 HA SER A 32 7.507 5.858 5.150 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.480 3.384 5.956 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.835 3.953 5.001 1.00 0.00 H new ATOM 0 HG SER A 32 9.979 4.664 7.212 1.00 0.00 H new ATOM 496 N ALA A 33 8.986 4.818 2.435 1.00 0.00 N ATOM 497 CA ALA A 33 9.732 5.330 1.251 1.00 0.00 C ATOM 498 C ALA A 33 8.794 6.134 0.351 1.00 0.00 C ATOM 499 O ALA A 33 9.227 6.953 -0.434 1.00 0.00 O ATOM 500 CB ALA A 33 10.231 4.079 0.525 1.00 0.00 C ATOM 0 H ALA A 33 8.690 3.844 2.376 1.00 0.00 H new ATOM 0 HA ALA A 33 10.552 5.991 1.531 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.792 4.373 -0.362 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.877 3.506 1.190 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.380 3.466 0.229 1.00 0.00 H new ATOM 506 N GLU A 34 7.512 5.923 0.469 1.00 0.00 N ATOM 507 CA GLU A 34 6.562 6.702 -0.378 1.00 0.00 C ATOM 508 C GLU A 34 5.433 7.298 0.485 1.00 0.00 C ATOM 509 O GLU A 34 5.525 8.442 0.886 1.00 0.00 O ATOM 510 CB GLU A 34 6.038 5.712 -1.419 1.00 0.00 C ATOM 511 CG GLU A 34 7.016 5.643 -2.592 1.00 0.00 C ATOM 512 CD GLU A 34 6.237 5.619 -3.908 1.00 0.00 C ATOM 513 OE1 GLU A 34 5.091 5.199 -3.887 1.00 0.00 O ATOM 514 OE2 GLU A 34 6.798 6.021 -4.915 1.00 0.00 O ATOM 0 H GLU A 34 7.083 5.253 1.107 1.00 0.00 H new ATOM 0 HA GLU A 34 7.039 7.553 -0.864 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.920 4.725 -0.971 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.054 6.023 -1.770 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.687 6.502 -2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.637 4.751 -2.509 1.00 0.00 H new ATOM 521 N PRO A 35 4.401 6.529 0.757 1.00 0.00 N ATOM 522 CA PRO A 35 3.287 7.053 1.585 1.00 0.00 C ATOM 523 C PRO A 35 3.684 7.075 3.067 1.00 0.00 C ATOM 524 O PRO A 35 3.162 6.331 3.870 1.00 0.00 O ATOM 525 CB PRO A 35 2.158 6.058 1.342 1.00 0.00 C ATOM 526 CG PRO A 35 2.832 4.782 0.952 1.00 0.00 C ATOM 527 CD PRO A 35 4.162 5.141 0.334 1.00 0.00 C ATOM 0 HA PRO A 35 3.010 8.076 1.329 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.552 5.924 2.238 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.490 6.406 0.554 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.974 4.142 1.823 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.218 4.225 0.244 1.00 0.00 H new ATOM 0 HD2 PRO A 35 4.954 4.478 0.683 1.00 0.00 H new ATOM 0 HD3 PRO A 35 4.131 5.057 -0.752 1.00 0.00 H new ATOM 535 N ALA A 36 4.607 7.923 3.433 1.00 0.00 N ATOM 536 CA ALA A 36 5.035 7.993 4.864 1.00 0.00 C ATOM 537 C ALA A 36 3.821 8.140 5.786 1.00 0.00 C ATOM 538 O ALA A 36 2.870 8.826 5.469 1.00 0.00 O ATOM 539 CB ALA A 36 5.921 9.231 4.953 1.00 0.00 C ATOM 0 H ALA A 36 5.084 8.570 2.805 1.00 0.00 H new ATOM 0 HA ALA A 36 5.558 7.089 5.176 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.276 9.351 5.976 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.774 9.117 4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.347 10.111 4.662 1.00 0.00 H new ATOM 545 N GLY A 37 3.844 7.496 6.924 1.00 0.00 N ATOM 546 CA GLY A 37 2.687 7.596 7.862 1.00 0.00 C ATOM 547 C GLY A 37 1.516 6.806 7.285 1.00 0.00 C ATOM 548 O GLY A 37 0.365 7.081 7.559 1.00 0.00 O ATOM 0 H GLY A 37 4.612 6.906 7.244 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.960 7.204 8.842 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.405 8.639 8.004 1.00 0.00 H new ATOM 552 N THR A 38 1.810 5.832 6.474 1.00 0.00 N ATOM 553 CA THR A 38 0.730 5.012 5.850 1.00 0.00 C ATOM 554 C THR A 38 0.872 3.542 6.244 1.00 0.00 C ATOM 555 O THR A 38 1.961 3.053 6.472 1.00 0.00 O ATOM 556 CB THR A 38 0.917 5.184 4.343 1.00 0.00 C ATOM 557 OG1 THR A 38 0.859 6.567 4.018 1.00 0.00 O ATOM 558 CG2 THR A 38 -0.192 4.437 3.600 1.00 0.00 C ATOM 0 H THR A 38 2.759 5.564 6.212 1.00 0.00 H new ATOM 0 HA THR A 38 -0.260 5.328 6.177 1.00 0.00 H new ATOM 0 HB THR A 38 1.885 4.779 4.047 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.674 7.011 4.332 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.057 4.561 2.525 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.149 3.377 3.852 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.162 4.840 3.893 1.00 0.00 H new ATOM 566 N PHE A 39 -0.221 2.832 6.332 1.00 0.00 N ATOM 567 CA PHE A 39 -0.146 1.392 6.714 1.00 0.00 C ATOM 568 C PHE A 39 -0.748 0.538 5.596 1.00 0.00 C ATOM 569 O PHE A 39 -1.742 0.892 4.994 1.00 0.00 O ATOM 570 CB PHE A 39 -0.970 1.275 8.001 1.00 0.00 C ATOM 571 CG PHE A 39 -2.413 0.970 7.670 1.00 0.00 C ATOM 572 CD1 PHE A 39 -2.784 -0.324 7.282 1.00 0.00 C ATOM 573 CD2 PHE A 39 -3.380 1.979 7.753 1.00 0.00 C ATOM 574 CE1 PHE A 39 -4.121 -0.607 6.977 1.00 0.00 C ATOM 575 CE2 PHE A 39 -4.717 1.695 7.448 1.00 0.00 C ATOM 576 CZ PHE A 39 -5.087 0.402 7.060 1.00 0.00 C ATOM 0 H PHE A 39 -1.161 3.186 6.156 1.00 0.00 H new ATOM 0 HA PHE A 39 0.877 1.047 6.867 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.560 0.488 8.634 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.908 2.204 8.567 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.039 -1.103 7.218 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.095 2.977 8.052 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -4.407 -1.605 6.678 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.463 2.474 7.512 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.118 0.183 6.825 1.00 0.00 H new ATOM 586 N LEU A 40 -0.127 -0.568 5.293 1.00 0.00 N ATOM 587 CA LEU A 40 -0.629 -1.433 4.190 1.00 0.00 C ATOM 588 C LEU A 40 -0.656 -2.903 4.616 1.00 0.00 C ATOM 589 O LEU A 40 0.006 -3.304 5.553 1.00 0.00 O ATOM 590 CB LEU A 40 0.372 -1.211 3.055 1.00 0.00 C ATOM 591 CG LEU A 40 0.518 -2.483 2.220 1.00 0.00 C ATOM 592 CD1 LEU A 40 1.141 -2.124 0.871 1.00 0.00 C ATOM 593 CD2 LEU A 40 1.432 -3.471 2.949 1.00 0.00 C ATOM 0 H LEU A 40 0.710 -0.911 5.764 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.650 -1.187 3.899 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.038 -0.389 2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.340 -0.924 3.466 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.461 -2.937 2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.249 -3.026 0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.498 -1.415 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.121 -1.675 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.536 -4.378 2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.413 -3.019 3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.999 -3.721 3.918 1.00 0.00 H new ATOM 605 N ILE A 41 -1.417 -3.707 3.925 1.00 0.00 N ATOM 606 CA ILE A 41 -1.494 -5.154 4.273 1.00 0.00 C ATOM 607 C ILE A 41 -0.896 -5.991 3.136 1.00 0.00 C ATOM 608 O ILE A 41 -1.179 -5.772 1.976 1.00 0.00 O ATOM 609 CB ILE A 41 -2.992 -5.434 4.432 1.00 0.00 C ATOM 610 CG1 ILE A 41 -3.308 -5.682 5.909 1.00 0.00 C ATOM 611 CG2 ILE A 41 -3.387 -6.668 3.613 1.00 0.00 C ATOM 612 CD1 ILE A 41 -2.667 -6.999 6.353 1.00 0.00 C ATOM 0 H ILE A 41 -1.991 -3.423 3.131 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.938 -5.405 5.176 1.00 0.00 H new ATOM 0 HB ILE A 41 -3.556 -4.573 4.073 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.931 -4.859 6.516 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.387 -5.721 6.060 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.454 -6.858 3.733 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.166 -6.492 2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -2.823 -7.533 3.963 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.891 -7.176 7.405 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.065 -7.818 5.754 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.587 -6.942 6.217 1.00 0.00 H new ATOM 624 N ARG A 42 -0.068 -6.948 3.462 1.00 0.00 N ATOM 625 CA ARG A 42 0.548 -7.794 2.398 1.00 0.00 C ATOM 626 C ARG A 42 0.366 -9.279 2.727 1.00 0.00 C ATOM 627 O ARG A 42 0.370 -9.675 3.876 1.00 0.00 O ATOM 628 CB ARG A 42 2.029 -7.420 2.407 1.00 0.00 C ATOM 629 CG ARG A 42 2.766 -8.222 1.333 1.00 0.00 C ATOM 630 CD ARG A 42 3.977 -8.923 1.955 1.00 0.00 C ATOM 631 NE ARG A 42 3.409 -10.083 2.700 1.00 0.00 N ATOM 632 CZ ARG A 42 3.255 -10.028 3.998 1.00 0.00 C ATOM 633 NH1 ARG A 42 3.606 -8.959 4.662 1.00 0.00 N ATOM 634 NH2 ARG A 42 2.752 -11.051 4.634 1.00 0.00 N ATOM 0 H ARG A 42 0.208 -7.180 4.416 1.00 0.00 H new ATOM 0 HA ARG A 42 0.090 -7.629 1.423 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.146 -6.352 2.223 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.460 -7.623 3.387 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.095 -8.958 0.890 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.089 -7.561 0.529 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.680 -9.251 1.189 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.521 -8.254 2.621 1.00 0.00 H new ATOM 0 HE ARG A 42 3.138 -10.926 2.194 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.003 -8.160 4.168 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.483 -8.924 5.674 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.481 -11.889 4.119 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.630 -11.013 5.646 1.00 0.00 H new ATOM 648 N ASP A 43 0.205 -10.102 1.728 1.00 0.00 N ATOM 649 CA ASP A 43 0.021 -11.560 1.982 1.00 0.00 C ATOM 650 C ASP A 43 1.343 -12.304 1.779 1.00 0.00 C ATOM 651 O ASP A 43 2.078 -12.041 0.847 1.00 0.00 O ATOM 652 CB ASP A 43 -1.012 -12.015 0.950 1.00 0.00 C ATOM 653 CG ASP A 43 -1.881 -13.123 1.551 1.00 0.00 C ATOM 654 OD1 ASP A 43 -1.536 -13.606 2.616 1.00 0.00 O ATOM 655 OD2 ASP A 43 -2.875 -13.469 0.934 1.00 0.00 O ATOM 0 H ASP A 43 0.193 -9.828 0.745 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.304 -11.762 3.002 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.635 -11.173 0.648 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.510 -12.378 0.053 1.00 0.00 H new ATOM 660 N SER A 44 1.653 -13.232 2.644 1.00 0.00 N ATOM 661 CA SER A 44 2.929 -13.990 2.500 1.00 0.00 C ATOM 662 C SER A 44 3.126 -14.421 1.044 1.00 0.00 C ATOM 663 O SER A 44 2.213 -14.380 0.245 1.00 0.00 O ATOM 664 CB SER A 44 2.766 -15.212 3.403 1.00 0.00 C ATOM 665 OG SER A 44 3.954 -15.394 4.164 1.00 0.00 O ATOM 0 H SER A 44 1.078 -13.498 3.444 1.00 0.00 H new ATOM 0 HA SER A 44 3.798 -13.393 2.775 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.912 -15.077 4.067 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.566 -16.099 2.802 1.00 0.00 H new ATOM 0 HG SER A 44 3.853 -16.176 4.746 1.00 0.00 H new ATOM 735 N HIS A 49 -0.459 -19.182 2.769 1.00 0.00 N ATOM 736 CA HIS A 49 0.073 -18.557 4.015 1.00 0.00 C ATOM 737 C HIS A 49 -0.841 -17.414 4.465 1.00 0.00 C ATOM 738 O HIS A 49 -1.745 -17.015 3.757 1.00 0.00 O ATOM 739 CB HIS A 49 1.452 -18.021 3.632 1.00 0.00 C ATOM 740 CG HIS A 49 2.426 -19.163 3.540 1.00 0.00 C ATOM 741 ND1 HIS A 49 3.357 -19.261 2.518 1.00 0.00 N ATOM 742 CD2 HIS A 49 2.626 -20.264 4.336 1.00 0.00 C ATOM 743 CE1 HIS A 49 4.069 -20.385 2.724 1.00 0.00 C ATOM 744 NE2 HIS A 49 3.664 -21.034 3.819 1.00 0.00 N ATOM 0 HA HIS A 49 0.126 -19.265 4.842 1.00 0.00 H new ATOM 0 HB2 HIS A 49 1.398 -17.497 2.678 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.792 -17.298 4.374 1.00 0.00 H new ATOM 0 HD2 HIS A 49 2.063 -20.497 5.228 1.00 0.00 H new ATOM 0 HE1 HIS A 49 4.870 -20.721 2.082 1.00 0.00 H new ATOM 0 HE2 HIS A 49 4.035 -21.906 4.195 1.00 0.00 H new ATOM 752 N PHE A 50 -0.615 -16.884 5.635 1.00 0.00 N ATOM 753 CA PHE A 50 -1.473 -15.767 6.125 1.00 0.00 C ATOM 754 C PHE A 50 -0.887 -14.421 5.691 1.00 0.00 C ATOM 755 O PHE A 50 0.114 -14.362 5.006 1.00 0.00 O ATOM 756 CB PHE A 50 -1.457 -15.895 7.649 1.00 0.00 C ATOM 757 CG PHE A 50 -0.032 -15.835 8.145 1.00 0.00 C ATOM 758 CD1 PHE A 50 0.626 -14.603 8.237 1.00 0.00 C ATOM 759 CD2 PHE A 50 0.630 -17.012 8.514 1.00 0.00 C ATOM 760 CE1 PHE A 50 1.947 -14.549 8.697 1.00 0.00 C ATOM 761 CE2 PHE A 50 1.951 -16.957 8.975 1.00 0.00 C ATOM 762 CZ PHE A 50 2.610 -15.725 9.067 1.00 0.00 C ATOM 0 H PHE A 50 0.126 -17.175 6.273 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.485 -15.816 5.723 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.044 -15.093 8.098 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.919 -16.835 7.950 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.115 -13.695 7.953 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.122 -17.962 8.443 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.455 -13.599 8.767 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.462 -17.865 9.260 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.629 -15.682 9.423 1.00 0.00 H new ATOM 772 N PHE A 51 -1.503 -13.338 6.083 1.00 0.00 N ATOM 773 CA PHE A 51 -0.975 -12.001 5.686 1.00 0.00 C ATOM 774 C PHE A 51 -0.527 -11.214 6.918 1.00 0.00 C ATOM 775 O PHE A 51 -0.991 -11.440 8.017 1.00 0.00 O ATOM 776 CB PHE A 51 -2.140 -11.293 4.992 1.00 0.00 C ATOM 777 CG PHE A 51 -3.304 -11.158 5.948 1.00 0.00 C ATOM 778 CD1 PHE A 51 -3.212 -10.308 7.062 1.00 0.00 C ATOM 779 CD2 PHE A 51 -4.483 -11.878 5.715 1.00 0.00 C ATOM 780 CE1 PHE A 51 -4.297 -10.185 7.937 1.00 0.00 C ATOM 781 CE2 PHE A 51 -5.566 -11.752 6.590 1.00 0.00 C ATOM 782 CZ PHE A 51 -5.474 -10.905 7.702 1.00 0.00 C ATOM 0 H PHE A 51 -2.345 -13.321 6.658 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.106 -12.087 5.033 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.825 -10.308 4.648 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.446 -11.856 4.110 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.305 -9.750 7.243 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -4.555 -12.531 4.858 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.226 -9.533 8.795 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.474 -12.308 6.409 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.311 -10.808 8.378 1.00 0.00 H new ATOM 792 N THR A 52 0.369 -10.284 6.737 1.00 0.00 N ATOM 793 CA THR A 52 0.849 -9.470 7.888 1.00 0.00 C ATOM 794 C THR A 52 0.687 -7.984 7.570 1.00 0.00 C ATOM 795 O THR A 52 0.668 -7.585 6.422 1.00 0.00 O ATOM 796 CB THR A 52 2.328 -9.830 8.043 1.00 0.00 C ATOM 797 OG1 THR A 52 2.440 -11.097 8.678 1.00 0.00 O ATOM 798 CG2 THR A 52 3.030 -8.769 8.891 1.00 0.00 C ATOM 0 H THR A 52 0.791 -10.052 5.838 1.00 0.00 H new ATOM 0 HA THR A 52 0.290 -9.668 8.802 1.00 0.00 H new ATOM 0 HB THR A 52 2.796 -9.872 7.060 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.387 -11.331 8.777 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.083 -9.028 9.000 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.944 -7.798 8.403 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.564 -8.723 9.875 1.00 0.00 H new ATOM 806 N LEU A 53 0.565 -7.158 8.571 1.00 0.00 N ATOM 807 CA LEU A 53 0.399 -5.702 8.309 1.00 0.00 C ATOM 808 C LEU A 53 1.303 -4.886 9.239 1.00 0.00 C ATOM 809 O LEU A 53 1.332 -5.089 10.437 1.00 0.00 O ATOM 810 CB LEU A 53 -1.087 -5.427 8.576 1.00 0.00 C ATOM 811 CG LEU A 53 -1.263 -4.112 9.342 1.00 0.00 C ATOM 812 CD1 LEU A 53 -0.528 -2.989 8.612 1.00 0.00 C ATOM 813 CD2 LEU A 53 -2.752 -3.772 9.423 1.00 0.00 C ATOM 0 H LEU A 53 0.573 -7.427 9.555 1.00 0.00 H new ATOM 0 HA LEU A 53 0.682 -5.420 7.295 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.629 -5.379 7.631 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.517 -6.248 9.149 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.853 -4.219 10.346 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.655 -2.055 9.159 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.533 -3.230 8.548 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.937 -2.879 7.608 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.883 -2.837 9.967 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.156 -3.665 8.416 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.280 -4.571 9.943 1.00 0.00 H new ATOM 825 N SER A 54 2.038 -3.963 8.685 1.00 0.00 N ATOM 826 CA SER A 54 2.947 -3.119 9.513 1.00 0.00 C ATOM 827 C SER A 54 2.838 -1.658 9.071 1.00 0.00 C ATOM 828 O SER A 54 2.498 -1.367 7.942 1.00 0.00 O ATOM 829 CB SER A 54 4.350 -3.659 9.244 1.00 0.00 C ATOM 830 OG SER A 54 4.305 -4.571 8.154 1.00 0.00 O ATOM 0 H SER A 54 2.049 -3.755 7.687 1.00 0.00 H new ATOM 0 HA SER A 54 2.700 -3.156 10.574 1.00 0.00 H new ATOM 0 HB2 SER A 54 5.030 -2.838 9.017 1.00 0.00 H new ATOM 0 HB3 SER A 54 4.736 -4.157 10.133 1.00 0.00 H new ATOM 0 HG SER A 54 4.302 -5.489 8.496 1.00 0.00 H new ATOM 836 N VAL A 55 3.118 -0.737 9.949 1.00 0.00 N ATOM 837 CA VAL A 55 3.023 0.703 9.568 1.00 0.00 C ATOM 838 C VAL A 55 4.321 1.431 9.907 1.00 0.00 C ATOM 839 O VAL A 55 5.198 0.896 10.556 1.00 0.00 O ATOM 840 CB VAL A 55 1.861 1.267 10.391 1.00 0.00 C ATOM 841 CG1 VAL A 55 2.389 1.844 11.707 1.00 0.00 C ATOM 842 CG2 VAL A 55 1.174 2.378 9.595 1.00 0.00 C ATOM 0 H VAL A 55 3.408 -0.916 10.911 1.00 0.00 H new ATOM 0 HA VAL A 55 2.859 0.829 8.498 1.00 0.00 H new ATOM 0 HB VAL A 55 1.150 0.469 10.606 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.558 2.244 12.288 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.885 1.058 12.276 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.101 2.642 11.495 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.346 2.783 10.176 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.891 3.171 9.384 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.795 1.972 8.657 1.00 0.00 H new ATOM 852 N LYS A 56 4.448 2.652 9.470 1.00 0.00 N ATOM 853 CA LYS A 56 5.685 3.425 9.760 1.00 0.00 C ATOM 854 C LYS A 56 5.344 4.680 10.564 1.00 0.00 C ATOM 855 O LYS A 56 4.399 5.384 10.264 1.00 0.00 O ATOM 856 CB LYS A 56 6.237 3.797 8.386 1.00 0.00 C ATOM 857 CG LYS A 56 7.569 3.079 8.162 1.00 0.00 C ATOM 858 CD LYS A 56 7.369 1.933 7.169 1.00 0.00 C ATOM 859 CE LYS A 56 6.375 0.923 7.745 1.00 0.00 C ATOM 860 NZ LYS A 56 6.989 0.471 9.024 1.00 0.00 N ATOM 0 H LYS A 56 3.745 3.149 8.923 1.00 0.00 H new ATOM 0 HA LYS A 56 6.405 2.859 10.351 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.526 3.518 7.609 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.377 4.876 8.318 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.312 3.779 7.781 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.950 2.693 9.108 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.000 2.321 6.220 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.322 1.445 6.965 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.400 1.380 7.914 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.221 0.087 7.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.885 -0.560 9.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.999 0.719 9.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.512 0.938 9.822 1.00 0.00 H new ATOM 874 N THR A 57 6.104 4.967 11.583 1.00 0.00 N ATOM 875 CA THR A 57 5.823 6.178 12.406 1.00 0.00 C ATOM 876 C THR A 57 7.085 7.035 12.529 1.00 0.00 C ATOM 877 O THR A 57 7.591 7.260 13.610 1.00 0.00 O ATOM 878 CB THR A 57 5.404 5.638 13.774 1.00 0.00 C ATOM 879 OG1 THR A 57 5.231 6.722 14.675 1.00 0.00 O ATOM 880 CG2 THR A 57 6.486 4.698 14.307 1.00 0.00 C ATOM 0 H THR A 57 6.908 4.416 11.883 1.00 0.00 H new ATOM 0 HA THR A 57 5.052 6.810 11.965 1.00 0.00 H new ATOM 0 HB THR A 57 4.466 5.091 13.678 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.060 7.243 14.724 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.186 4.314 15.282 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.619 3.867 13.615 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.425 5.243 14.405 1.00 0.00 H new ATOM 888 N GLN A 58 7.596 7.514 11.429 1.00 0.00 N ATOM 889 CA GLN A 58 8.826 8.356 11.481 1.00 0.00 C ATOM 890 C GLN A 58 10.024 7.514 11.924 1.00 0.00 C ATOM 891 O GLN A 58 11.020 7.423 11.234 1.00 0.00 O ATOM 892 CB GLN A 58 8.522 9.443 12.515 1.00 0.00 C ATOM 893 CG GLN A 58 8.592 10.818 11.846 1.00 0.00 C ATOM 894 CD GLN A 58 9.246 11.817 12.801 1.00 0.00 C ATOM 895 OE1 GLN A 58 9.210 11.640 14.003 1.00 0.00 O ATOM 896 NE2 GLN A 58 9.847 12.868 12.315 1.00 0.00 N ATOM 0 H GLN A 58 7.216 7.359 10.495 1.00 0.00 H new ATOM 0 HA GLN A 58 9.077 8.779 10.508 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.532 9.285 12.944 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.237 9.389 13.336 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.164 10.755 10.921 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.591 11.156 11.579 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.878 13.017 11.306 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.286 13.541 12.944 1.00 0.00 H new ATOM 905 N SER A 59 9.937 6.896 13.070 1.00 0.00 N ATOM 906 CA SER A 59 11.072 6.059 13.554 1.00 0.00 C ATOM 907 C SER A 59 10.544 4.854 14.338 1.00 0.00 C ATOM 908 O SER A 59 11.013 4.550 15.417 1.00 0.00 O ATOM 909 CB SER A 59 11.882 6.979 14.465 1.00 0.00 C ATOM 910 OG SER A 59 13.224 7.037 14.000 1.00 0.00 O ATOM 0 H SER A 59 9.130 6.934 13.692 1.00 0.00 H new ATOM 0 HA SER A 59 11.674 5.665 12.735 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.445 7.977 14.474 1.00 0.00 H new ATOM 0 HB3 SER A 59 11.856 6.610 15.490 1.00 0.00 H new ATOM 0 HG SER A 59 13.746 7.628 14.581 1.00 0.00 H new ATOM 916 N GLY A 60 9.571 4.166 13.805 1.00 0.00 N ATOM 917 CA GLY A 60 9.015 2.984 14.524 1.00 0.00 C ATOM 918 C GLY A 60 8.418 2.002 13.513 1.00 0.00 C ATOM 919 O GLY A 60 7.215 1.886 13.383 1.00 0.00 O ATOM 0 H GLY A 60 9.138 4.371 12.905 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.799 2.495 15.102 1.00 0.00 H new ATOM 0 HA3 GLY A 60 8.250 3.303 15.232 1.00 0.00 H new ATOM 923 N THR A 61 9.248 1.291 12.799 1.00 0.00 N ATOM 924 CA THR A 61 8.728 0.315 11.800 1.00 0.00 C ATOM 925 C THR A 61 8.678 -1.089 12.413 1.00 0.00 C ATOM 926 O THR A 61 9.695 -1.713 12.640 1.00 0.00 O ATOM 927 CB THR A 61 9.733 0.361 10.648 1.00 0.00 C ATOM 928 OG1 THR A 61 9.490 1.515 9.855 1.00 0.00 O ATOM 929 CG2 THR A 61 9.586 -0.894 9.785 1.00 0.00 C ATOM 0 H THR A 61 10.264 1.344 12.865 1.00 0.00 H new ATOM 0 HA THR A 61 7.717 0.555 11.471 1.00 0.00 H new ATOM 0 HB THR A 61 10.745 0.403 11.052 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.134 1.547 9.117 1.00 0.00 H new ATOM 0 HG21 THR A 61 10.303 -0.858 8.965 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.775 -1.778 10.394 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.575 -0.941 9.380 1.00 0.00 H new ATOM 937 N LYS A 62 7.503 -1.591 12.681 1.00 0.00 N ATOM 938 CA LYS A 62 7.395 -2.956 13.275 1.00 0.00 C ATOM 939 C LYS A 62 6.411 -3.805 12.466 1.00 0.00 C ATOM 940 O LYS A 62 5.533 -3.289 11.804 1.00 0.00 O ATOM 941 CB LYS A 62 6.871 -2.731 14.694 1.00 0.00 C ATOM 942 CG LYS A 62 7.964 -3.090 15.703 1.00 0.00 C ATOM 943 CD LYS A 62 9.270 -2.399 15.308 1.00 0.00 C ATOM 944 CE LYS A 62 10.073 -2.067 16.568 1.00 0.00 C ATOM 945 NZ LYS A 62 10.941 -0.921 16.177 1.00 0.00 N ATOM 0 H LYS A 62 6.615 -1.117 12.515 1.00 0.00 H new ATOM 0 HA LYS A 62 8.348 -3.485 13.273 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.570 -1.691 14.822 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.986 -3.342 14.868 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.665 -2.781 16.704 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.106 -4.170 15.732 1.00 0.00 H new ATOM 0 HD2 LYS A 62 9.853 -3.046 14.653 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.057 -1.488 14.749 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.417 -1.801 17.396 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.668 -2.920 16.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.524 -0.634 16.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.559 -1.206 15.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 10.347 -0.122 15.878 1.00 0.00 H new ATOM 959 N ASN A 63 6.550 -5.104 12.512 1.00 0.00 N ATOM 960 CA ASN A 63 5.619 -5.977 11.738 1.00 0.00 C ATOM 961 C ASN A 63 5.246 -7.216 12.558 1.00 0.00 C ATOM 962 O ASN A 63 6.022 -7.700 13.357 1.00 0.00 O ATOM 963 CB ASN A 63 6.399 -6.381 10.485 1.00 0.00 C ATOM 964 CG ASN A 63 7.278 -5.215 10.024 1.00 0.00 C ATOM 965 OD1 ASN A 63 6.798 -4.116 9.830 1.00 0.00 O ATOM 966 ND2 ASN A 63 8.555 -5.409 9.841 1.00 0.00 N ATOM 0 H ASN A 63 7.264 -5.596 13.049 1.00 0.00 H new ATOM 0 HA ASN A 63 4.688 -5.466 11.492 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.017 -7.254 10.696 1.00 0.00 H new ATOM 0 HB3 ASN A 63 5.708 -6.664 9.691 1.00 0.00 H new ATOM 0 HD21 ASN A 63 9.149 -4.638 9.535 1.00 0.00 H new ATOM 0 HD22 ASN A 63 8.959 -6.331 10.004 1.00 0.00 H new ATOM 973 N LEU A 64 4.064 -7.734 12.361 1.00 0.00 N ATOM 974 CA LEU A 64 3.640 -8.943 13.125 1.00 0.00 C ATOM 975 C LEU A 64 2.979 -9.955 12.184 1.00 0.00 C ATOM 976 O LEU A 64 2.333 -9.591 11.221 1.00 0.00 O ATOM 977 CB LEU A 64 2.630 -8.430 14.153 1.00 0.00 C ATOM 978 CG LEU A 64 3.162 -7.149 14.796 1.00 0.00 C ATOM 979 CD1 LEU A 64 2.191 -6.683 15.882 1.00 0.00 C ATOM 980 CD2 LEU A 64 4.530 -7.423 15.423 1.00 0.00 C ATOM 0 H LEU A 64 3.373 -7.372 11.704 1.00 0.00 H new ATOM 0 HA LEU A 64 4.482 -9.449 13.599 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.671 -8.237 13.671 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.456 -9.188 14.917 1.00 0.00 H new ATOM 0 HG LEU A 64 3.258 -6.374 14.035 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.570 -5.770 16.341 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.215 -6.488 15.438 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.096 -7.458 16.642 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.910 -6.510 15.881 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.433 -8.198 16.184 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.224 -7.757 14.651 1.00 0.00 H new ATOM 992 N ARG A 65 3.135 -11.223 12.452 1.00 0.00 N ATOM 993 CA ARG A 65 2.516 -12.254 11.569 1.00 0.00 C ATOM 994 C ARG A 65 1.338 -12.926 12.281 1.00 0.00 C ATOM 995 O ARG A 65 1.285 -12.986 13.493 1.00 0.00 O ATOM 996 CB ARG A 65 3.629 -13.266 11.299 1.00 0.00 C ATOM 997 CG ARG A 65 4.212 -13.751 12.626 1.00 0.00 C ATOM 998 CD ARG A 65 4.557 -15.238 12.519 1.00 0.00 C ATOM 999 NE ARG A 65 4.360 -15.779 13.893 1.00 0.00 N ATOM 1000 CZ ARG A 65 4.890 -16.924 14.226 1.00 0.00 C ATOM 1001 NH1 ARG A 65 5.591 -17.599 13.357 1.00 0.00 N ATOM 1002 NH2 ARG A 65 4.717 -17.395 15.431 1.00 0.00 N ATOM 0 H ARG A 65 3.664 -11.590 13.243 1.00 0.00 H new ATOM 0 HA ARG A 65 2.124 -11.825 10.647 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.237 -14.110 10.732 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.411 -12.809 10.692 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.104 -13.177 12.875 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.495 -13.590 13.431 1.00 0.00 H new ATOM 0 HD2 ARG A 65 3.911 -15.742 11.800 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.583 -15.382 12.182 1.00 0.00 H new ATOM 0 HE ARG A 65 3.811 -15.254 14.574 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.726 -17.232 12.415 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.004 -18.494 13.620 1.00 0.00 H new ATOM 0 HH21 ARG A 65 4.168 -16.868 16.111 1.00 0.00 H new ATOM 0 HH22 ARG A 65 5.131 -18.290 15.693 1.00 0.00 H new ATOM 1016 N ILE A 66 0.392 -13.431 11.536 1.00 0.00 N ATOM 1017 CA ILE A 66 -0.782 -14.097 12.170 1.00 0.00 C ATOM 1018 C ILE A 66 -0.499 -15.586 12.387 1.00 0.00 C ATOM 1019 O ILE A 66 0.176 -16.220 11.601 1.00 0.00 O ATOM 1020 CB ILE A 66 -1.925 -13.913 11.173 1.00 0.00 C ATOM 1021 CG1 ILE A 66 -2.046 -12.433 10.803 1.00 0.00 C ATOM 1022 CG2 ILE A 66 -3.234 -14.387 11.807 1.00 0.00 C ATOM 1023 CD1 ILE A 66 -2.572 -11.645 12.004 1.00 0.00 C ATOM 0 H ILE A 66 0.381 -13.411 10.516 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.016 -13.674 13.147 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.722 -14.497 10.275 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.075 -12.044 10.497 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.719 -12.314 9.954 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -4.050 -14.256 11.097 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.149 -15.441 12.072 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.436 -13.802 12.704 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.657 -10.591 11.739 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.552 -12.028 12.290 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.882 -11.754 12.841 1.00 0.00 H new ATOM 1035 N GLN A 67 -1.012 -16.147 13.448 1.00 0.00 N ATOM 1036 CA GLN A 67 -0.776 -17.595 13.715 1.00 0.00 C ATOM 1037 C GLN A 67 -2.112 -18.338 13.815 1.00 0.00 C ATOM 1038 O GLN A 67 -3.025 -17.903 14.488 1.00 0.00 O ATOM 1039 CB GLN A 67 -0.036 -17.636 15.053 1.00 0.00 C ATOM 1040 CG GLN A 67 1.405 -17.162 14.855 1.00 0.00 C ATOM 1041 CD GLN A 67 2.054 -17.959 13.723 1.00 0.00 C ATOM 1042 OE1 GLN A 67 2.427 -19.101 13.903 1.00 0.00 O ATOM 1043 NE2 GLN A 67 2.204 -17.402 12.551 1.00 0.00 N ATOM 0 H GLN A 67 -1.584 -15.666 14.142 1.00 0.00 H new ATOM 0 HA GLN A 67 -0.205 -18.075 12.920 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -0.542 -17.001 15.780 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.045 -18.649 15.454 1.00 0.00 H new ATOM 0 HG2 GLN A 67 1.420 -16.098 14.619 1.00 0.00 H new ATOM 0 HG3 GLN A 67 1.972 -17.292 15.777 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.891 -16.443 12.398 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.634 -17.926 11.789 1.00 0.00 H new ATOM 1052 N CYS A 68 -2.232 -19.456 13.153 1.00 0.00 N ATOM 1053 CA CYS A 68 -3.510 -20.225 13.213 1.00 0.00 C ATOM 1054 C CYS A 68 -3.484 -21.200 14.395 1.00 0.00 C ATOM 1055 O CYS A 68 -2.586 -22.008 14.525 1.00 0.00 O ATOM 1056 CB CYS A 68 -3.576 -20.988 11.890 1.00 0.00 C ATOM 1057 SG CYS A 68 -2.155 -22.102 11.764 1.00 0.00 S ATOM 0 H CYS A 68 -1.502 -19.871 12.574 1.00 0.00 H new ATOM 0 HA CYS A 68 -4.376 -19.578 13.353 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -4.504 -21.557 11.832 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -3.578 -20.288 11.054 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.839 -22.538 12.947 1.00 0.00 H new ATOM 1063 N GLU A 69 -4.462 -21.129 15.258 1.00 0.00 N ATOM 1064 CA GLU A 69 -4.487 -22.051 16.429 1.00 0.00 C ATOM 1065 C GLU A 69 -5.879 -22.669 16.593 1.00 0.00 C ATOM 1066 O GLU A 69 -6.833 -21.994 16.920 1.00 0.00 O ATOM 1067 CB GLU A 69 -4.148 -21.170 17.632 1.00 0.00 C ATOM 1068 CG GLU A 69 -3.253 -21.947 18.599 1.00 0.00 C ATOM 1069 CD GLU A 69 -3.985 -22.145 19.927 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -5.064 -22.714 19.906 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -3.455 -21.724 20.942 1.00 0.00 O ATOM 0 H GLU A 69 -5.242 -20.474 15.203 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.786 -22.878 16.316 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.642 -20.263 17.301 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.062 -20.858 18.137 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.989 -22.914 18.170 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.321 -21.406 18.763 1.00 0.00 H new ATOM 1078 N GLY A 70 -6.000 -23.950 16.373 1.00 0.00 N ATOM 1079 CA GLY A 70 -7.327 -24.614 16.523 1.00 0.00 C ATOM 1080 C GLY A 70 -8.371 -23.880 15.678 1.00 0.00 C ATOM 1081 O GLY A 70 -9.299 -23.293 16.197 1.00 0.00 O ATOM 0 H GLY A 70 -5.236 -24.566 16.095 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -7.260 -25.656 16.211 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.628 -24.614 17.571 1.00 0.00 H new ATOM 1085 N GLY A 71 -8.230 -23.912 14.382 1.00 0.00 N ATOM 1086 CA GLY A 71 -9.217 -23.218 13.507 1.00 0.00 C ATOM 1087 C GLY A 71 -9.341 -21.753 13.927 1.00 0.00 C ATOM 1088 O GLY A 71 -10.292 -21.078 13.587 1.00 0.00 O ATOM 0 H GLY A 71 -7.474 -24.389 13.890 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -8.902 -23.282 12.466 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -10.187 -23.709 13.577 1.00 0.00 H new ATOM 1092 N SER A 72 -8.385 -21.253 14.661 1.00 0.00 N ATOM 1093 CA SER A 72 -8.448 -19.829 15.099 1.00 0.00 C ATOM 1094 C SER A 72 -7.204 -19.080 14.615 1.00 0.00 C ATOM 1095 O SER A 72 -6.215 -19.680 14.244 1.00 0.00 O ATOM 1096 CB SER A 72 -8.487 -19.882 16.625 1.00 0.00 C ATOM 1097 OG SER A 72 -8.988 -21.147 17.038 1.00 0.00 O ATOM 0 H SER A 72 -7.563 -21.768 14.976 1.00 0.00 H new ATOM 0 HA SER A 72 -9.314 -19.307 14.693 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.488 -19.723 17.032 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.120 -19.083 17.012 1.00 0.00 H new ATOM 0 HG SER A 72 -8.274 -21.816 16.982 1.00 0.00 H new ATOM 1103 N PHE A 73 -7.244 -17.776 14.611 1.00 0.00 N ATOM 1104 CA PHE A 73 -6.058 -17.001 14.143 1.00 0.00 C ATOM 1105 C PHE A 73 -5.718 -15.889 15.139 1.00 0.00 C ATOM 1106 O PHE A 73 -6.588 -15.234 15.675 1.00 0.00 O ATOM 1107 CB PHE A 73 -6.479 -16.409 12.797 1.00 0.00 C ATOM 1108 CG PHE A 73 -6.059 -17.338 11.682 1.00 0.00 C ATOM 1109 CD1 PHE A 73 -6.621 -18.616 11.587 1.00 0.00 C ATOM 1110 CD2 PHE A 73 -5.107 -16.921 10.744 1.00 0.00 C ATOM 1111 CE1 PHE A 73 -6.233 -19.478 10.554 1.00 0.00 C ATOM 1112 CE2 PHE A 73 -4.718 -17.783 9.712 1.00 0.00 C ATOM 1113 CZ PHE A 73 -5.280 -19.061 9.618 1.00 0.00 C ATOM 0 H PHE A 73 -8.042 -17.215 14.910 1.00 0.00 H new ATOM 0 HA PHE A 73 -5.168 -17.624 14.055 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -7.559 -16.262 12.775 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.021 -15.429 12.660 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.355 -18.938 12.311 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.673 -15.935 10.817 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.669 -20.463 10.480 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -3.984 -17.462 8.988 1.00 0.00 H new ATOM 0 HZ PHE A 73 -4.978 -19.726 8.822 1.00 0.00 H new ATOM 1123 N SER A 74 -4.454 -15.672 15.386 1.00 0.00 N ATOM 1124 CA SER A 74 -4.053 -14.601 16.344 1.00 0.00 C ATOM 1125 C SER A 74 -2.721 -13.980 15.912 1.00 0.00 C ATOM 1126 O SER A 74 -1.812 -14.669 15.493 1.00 0.00 O ATOM 1127 CB SER A 74 -3.903 -15.309 17.690 1.00 0.00 C ATOM 1128 OG SER A 74 -3.857 -14.339 18.728 1.00 0.00 O ATOM 0 H SER A 74 -3.682 -16.190 14.966 1.00 0.00 H new ATOM 0 HA SER A 74 -4.782 -13.792 16.389 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.738 -15.991 17.850 1.00 0.00 H new ATOM 0 HB3 SER A 74 -2.994 -15.911 17.698 1.00 0.00 H new ATOM 0 HG SER A 74 -3.763 -14.790 19.593 1.00 0.00 H new ATOM 1134 N LEU A 75 -2.598 -12.685 16.012 1.00 0.00 N ATOM 1135 CA LEU A 75 -1.324 -12.025 15.606 1.00 0.00 C ATOM 1136 C LEU A 75 -0.307 -12.093 16.748 1.00 0.00 C ATOM 1137 O LEU A 75 -0.001 -11.101 17.379 1.00 0.00 O ATOM 1138 CB LEU A 75 -1.705 -10.573 15.311 1.00 0.00 C ATOM 1139 CG LEU A 75 -0.593 -9.906 14.500 1.00 0.00 C ATOM 1140 CD1 LEU A 75 -1.133 -9.497 13.128 1.00 0.00 C ATOM 1141 CD2 LEU A 75 -0.096 -8.663 15.242 1.00 0.00 C ATOM 0 H LEU A 75 -3.323 -12.056 16.357 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.865 -12.508 14.743 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.644 -10.538 14.758 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.864 -10.031 16.243 1.00 0.00 H new ATOM 0 HG LEU A 75 0.231 -10.608 14.371 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.339 -9.022 12.551 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.487 -10.381 12.598 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.958 -8.796 13.256 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.697 -8.187 14.665 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.921 -7.963 15.372 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.291 -8.953 16.219 1.00 0.00 H new ATOM 1384 N VAL A 91 -8.744 -14.020 10.606 1.00 0.00 N ATOM 1385 CA VAL A 91 -7.564 -13.211 11.016 1.00 0.00 C ATOM 1386 C VAL A 91 -7.937 -11.732 11.009 1.00 0.00 C ATOM 1387 O VAL A 91 -7.284 -10.907 11.616 1.00 0.00 O ATOM 1388 CB VAL A 91 -6.491 -13.503 9.967 1.00 0.00 C ATOM 1389 CG1 VAL A 91 -7.078 -13.314 8.568 1.00 0.00 C ATOM 1390 CG2 VAL A 91 -5.316 -12.540 10.158 1.00 0.00 C ATOM 0 HA VAL A 91 -7.216 -13.455 12.020 1.00 0.00 H new ATOM 0 HB VAL A 91 -6.144 -14.530 10.080 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -6.312 -13.522 7.821 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -7.916 -13.998 8.429 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -7.425 -12.287 8.455 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.550 -12.747 9.410 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.665 -11.514 10.045 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.895 -12.673 11.155 1.00 0.00 H new ATOM 1400 N LEU A 92 -8.969 -11.390 10.290 1.00 0.00 N ATOM 1401 CA LEU A 92 -9.377 -9.959 10.195 1.00 0.00 C ATOM 1402 C LEU A 92 -9.578 -9.353 11.589 1.00 0.00 C ATOM 1403 O LEU A 92 -9.282 -8.198 11.811 1.00 0.00 O ATOM 1404 CB LEU A 92 -10.698 -9.979 9.415 1.00 0.00 C ATOM 1405 CG LEU A 92 -11.880 -9.935 10.388 1.00 0.00 C ATOM 1406 CD1 LEU A 92 -12.123 -8.492 10.831 1.00 0.00 C ATOM 1407 CD2 LEU A 92 -13.134 -10.475 9.700 1.00 0.00 C ATOM 0 H LEU A 92 -9.550 -12.041 9.762 1.00 0.00 H new ATOM 0 HA LEU A 92 -8.618 -9.349 9.705 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.743 -9.127 8.737 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.754 -10.878 8.801 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.653 -10.550 11.259 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -12.964 -8.461 11.523 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -11.231 -8.108 11.326 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -12.347 -7.877 9.960 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -13.973 -10.442 10.395 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -13.362 -9.863 8.827 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.962 -11.505 9.387 1.00 0.00 H new ATOM 1419 N LYS A 93 -10.065 -10.107 12.537 1.00 0.00 N ATOM 1420 CA LYS A 93 -10.251 -9.526 13.897 1.00 0.00 C ATOM 1421 C LYS A 93 -8.904 -9.017 14.411 1.00 0.00 C ATOM 1422 O LYS A 93 -8.819 -8.007 15.080 1.00 0.00 O ATOM 1423 CB LYS A 93 -10.756 -10.674 14.773 1.00 0.00 C ATOM 1424 CG LYS A 93 -10.486 -10.342 16.242 1.00 0.00 C ATOM 1425 CD LYS A 93 -11.145 -9.006 16.593 1.00 0.00 C ATOM 1426 CE LYS A 93 -12.032 -9.181 17.827 1.00 0.00 C ATOM 1427 NZ LYS A 93 -12.039 -7.846 18.488 1.00 0.00 N ATOM 0 H LYS A 93 -10.338 -11.084 12.432 1.00 0.00 H new ATOM 0 HA LYS A 93 -10.951 -8.690 13.901 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -11.823 -10.827 14.613 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.256 -11.603 14.500 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -10.878 -11.132 16.882 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -9.412 -10.289 16.422 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -10.382 -8.252 16.785 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -11.740 -8.650 15.752 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -13.040 -9.489 17.548 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -11.636 -9.949 18.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -12.628 -7.886 19.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.067 -7.582 18.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -12.427 -7.137 17.834 1.00 0.00 H new ATOM 1441 N LEU A 94 -7.848 -9.708 14.083 1.00 0.00 N ATOM 1442 CA LEU A 94 -6.496 -9.271 14.528 1.00 0.00 C ATOM 1443 C LEU A 94 -6.175 -7.906 13.919 1.00 0.00 C ATOM 1444 O LEU A 94 -5.527 -7.079 14.528 1.00 0.00 O ATOM 1445 CB LEU A 94 -5.541 -10.339 13.999 1.00 0.00 C ATOM 1446 CG LEU A 94 -5.979 -11.712 14.511 1.00 0.00 C ATOM 1447 CD1 LEU A 94 -4.976 -12.772 14.056 1.00 0.00 C ATOM 1448 CD2 LEU A 94 -6.040 -11.690 16.040 1.00 0.00 C ATOM 0 H LEU A 94 -7.864 -10.561 13.523 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.421 -9.167 15.610 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.536 -10.330 12.909 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.523 -10.125 14.324 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.964 -11.951 14.111 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.289 -13.750 14.422 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.933 -12.788 12.967 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.990 -12.535 14.455 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.352 -12.668 16.406 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.055 -11.450 16.440 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.757 -10.936 16.365 1.00 0.00 H new ATOM 1460 N VAL A 95 -6.626 -7.666 12.717 1.00 0.00 N ATOM 1461 CA VAL A 95 -6.348 -6.356 12.066 1.00 0.00 C ATOM 1462 C VAL A 95 -6.817 -5.215 12.973 1.00 0.00 C ATOM 1463 O VAL A 95 -6.181 -4.185 13.066 1.00 0.00 O ATOM 1464 CB VAL A 95 -7.139 -6.387 10.753 1.00 0.00 C ATOM 1465 CG1 VAL A 95 -8.543 -5.816 10.967 1.00 0.00 C ATOM 1466 CG2 VAL A 95 -6.408 -5.552 9.701 1.00 0.00 C ATOM 0 H VAL A 95 -7.174 -8.321 12.159 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.286 -6.193 11.884 1.00 0.00 H new ATOM 0 HB VAL A 95 -7.223 -7.420 10.414 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -9.094 -5.844 10.027 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.068 -6.412 11.713 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.468 -4.785 11.313 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.969 -5.572 8.766 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.321 -4.523 10.049 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.413 -5.965 9.536 1.00 0.00 H new ATOM 1476 N HIS A 96 -7.916 -5.393 13.657 1.00 0.00 N ATOM 1477 CA HIS A 96 -8.399 -4.316 14.565 1.00 0.00 C ATOM 1478 C HIS A 96 -7.274 -3.929 15.526 1.00 0.00 C ATOM 1479 O HIS A 96 -7.155 -2.792 15.939 1.00 0.00 O ATOM 1480 CB HIS A 96 -9.575 -4.931 15.325 1.00 0.00 C ATOM 1481 CG HIS A 96 -10.726 -3.963 15.332 1.00 0.00 C ATOM 1482 ND1 HIS A 96 -11.733 -4.005 14.380 1.00 0.00 N ATOM 1483 CD2 HIS A 96 -11.045 -2.922 16.169 1.00 0.00 C ATOM 1484 CE1 HIS A 96 -12.601 -3.017 14.664 1.00 0.00 C ATOM 1485 NE2 HIS A 96 -12.229 -2.325 15.745 1.00 0.00 N ATOM 0 H HIS A 96 -8.495 -6.232 13.626 1.00 0.00 H new ATOM 0 HA HIS A 96 -8.700 -3.414 14.032 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -9.876 -5.868 14.855 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -9.278 -5.168 16.347 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -10.465 -2.613 17.026 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -13.491 -2.808 14.088 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -12.709 -1.531 16.168 1.00 0.00 H new ATOM 1493 N HIS A 97 -6.437 -4.871 15.871 1.00 0.00 N ATOM 1494 CA HIS A 97 -5.303 -4.570 16.789 1.00 0.00 C ATOM 1495 C HIS A 97 -4.331 -3.608 16.099 1.00 0.00 C ATOM 1496 O HIS A 97 -3.751 -2.740 16.720 1.00 0.00 O ATOM 1497 CB HIS A 97 -4.645 -5.927 17.069 1.00 0.00 C ATOM 1498 CG HIS A 97 -3.344 -6.038 16.320 1.00 0.00 C ATOM 1499 ND1 HIS A 97 -3.235 -6.732 15.126 1.00 0.00 N ATOM 1500 CD2 HIS A 97 -2.089 -5.548 16.584 1.00 0.00 C ATOM 1501 CE1 HIS A 97 -1.956 -6.643 14.720 1.00 0.00 C ATOM 1502 NE2 HIS A 97 -1.213 -5.931 15.573 1.00 0.00 N ATOM 0 H HIS A 97 -6.491 -5.839 15.555 1.00 0.00 H new ATOM 0 HA HIS A 97 -5.620 -4.090 17.715 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -4.468 -6.040 18.139 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -5.315 -6.733 16.770 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -3.988 -7.222 14.643 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -1.822 -4.955 17.446 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -1.575 -7.092 13.815 1.00 0.00 H new ATOM 1510 N TYR A 98 -4.157 -3.759 14.813 1.00 0.00 N ATOM 1511 CA TYR A 98 -3.230 -2.857 14.072 1.00 0.00 C ATOM 1512 C TYR A 98 -3.741 -1.417 14.142 1.00 0.00 C ATOM 1513 O TYR A 98 -3.057 -0.485 13.770 1.00 0.00 O ATOM 1514 CB TYR A 98 -3.271 -3.353 12.626 1.00 0.00 C ATOM 1515 CG TYR A 98 -2.234 -4.429 12.418 1.00 0.00 C ATOM 1516 CD1 TYR A 98 -0.979 -4.317 13.023 1.00 0.00 C ATOM 1517 CD2 TYR A 98 -2.528 -5.534 11.610 1.00 0.00 C ATOM 1518 CE1 TYR A 98 -0.014 -5.312 12.820 1.00 0.00 C ATOM 1519 CE2 TYR A 98 -1.564 -6.531 11.406 1.00 0.00 C ATOM 1520 CZ TYR A 98 -0.307 -6.418 12.011 1.00 0.00 C ATOM 1521 OH TYR A 98 0.645 -7.398 11.812 1.00 0.00 O ATOM 0 H TYR A 98 -4.618 -4.469 14.244 1.00 0.00 H new ATOM 0 HA TYR A 98 -2.221 -2.869 14.485 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -4.262 -3.743 12.395 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.088 -2.523 11.943 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.753 -3.464 13.646 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -3.498 -5.618 11.143 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.956 -5.227 13.287 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -1.791 -7.384 10.784 1.00 0.00 H new ATOM 0 HH TYR A 98 1.404 -7.021 11.320 1.00 0.00 H new ATOM 1531 N MET A 99 -4.944 -1.239 14.614 1.00 0.00 N ATOM 1532 CA MET A 99 -5.530 0.133 14.719 1.00 0.00 C ATOM 1533 C MET A 99 -6.029 0.601 13.350 1.00 0.00 C ATOM 1534 O MET A 99 -5.375 1.375 12.681 1.00 0.00 O ATOM 1535 CB MET A 99 -4.391 1.027 15.213 1.00 0.00 C ATOM 1536 CG MET A 99 -4.969 2.205 16.000 1.00 0.00 C ATOM 1537 SD MET A 99 -4.335 3.757 15.319 1.00 0.00 S ATOM 1538 CE MET A 99 -5.782 4.778 15.689 1.00 0.00 C ATOM 0 H MET A 99 -5.554 -1.991 14.935 1.00 0.00 H new ATOM 0 HA MET A 99 -6.384 0.162 15.396 1.00 0.00 H new ATOM 0 HB2 MET A 99 -3.712 0.453 15.844 1.00 0.00 H new ATOM 0 HB3 MET A 99 -3.809 1.392 14.367 1.00 0.00 H new ATOM 0 HG2 MET A 99 -6.058 2.191 15.948 1.00 0.00 H new ATOM 0 HG3 MET A 99 -4.699 2.120 17.053 1.00 0.00 H new ATOM 0 HE1 MET A 99 -5.829 5.611 14.988 1.00 0.00 H new ATOM 0 HE2 MET A 99 -6.686 4.175 15.597 1.00 0.00 H new ATOM 0 HE3 MET A 99 -5.705 5.164 16.706 1.00 0.00 H new ATOM 2022 N ARG A 134 -7.204 4.450 20.372 1.00 0.00 N ATOM 2023 CA ARG A 134 -6.466 3.184 20.100 1.00 0.00 C ATOM 2024 C ARG A 134 -5.037 3.277 20.641 1.00 0.00 C ATOM 2025 O ARG A 134 -4.714 4.154 21.418 1.00 0.00 O ATOM 2026 CB ARG A 134 -6.457 3.050 18.578 1.00 0.00 C ATOM 2027 CG ARG A 134 -7.892 3.111 18.051 1.00 0.00 C ATOM 2028 CD ARG A 134 -8.441 1.690 17.898 1.00 0.00 C ATOM 2029 NE ARG A 134 -9.893 1.868 17.616 1.00 0.00 N ATOM 2030 CZ ARG A 134 -10.713 2.187 18.581 1.00 0.00 C ATOM 2031 NH1 ARG A 134 -10.261 2.357 19.793 1.00 0.00 N ATOM 2032 NH2 ARG A 134 -11.984 2.340 18.331 1.00 0.00 N ATOM 0 HA ARG A 134 -6.931 2.324 20.581 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -5.862 3.849 18.136 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -5.992 2.108 18.288 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -8.518 3.682 18.736 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -7.917 3.627 17.091 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -7.943 1.159 17.086 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -8.283 1.106 18.805 1.00 0.00 H new ATOM 0 HE ARG A 134 -10.247 1.741 16.668 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -9.266 2.241 19.987 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -10.902 2.606 20.546 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -12.336 2.210 17.383 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -12.625 2.589 19.084 1.00 0.00 H new ATOM 2046 N ALA A 135 -4.178 2.378 20.236 1.00 0.00 N ATOM 2047 CA ALA A 135 -2.767 2.409 20.723 1.00 0.00 C ATOM 2048 C ALA A 135 -2.094 1.064 20.454 1.00 0.00 C ATOM 2049 O ALA A 135 -1.902 0.270 21.352 1.00 0.00 O ATOM 2050 CB ALA A 135 -2.856 2.658 22.230 1.00 0.00 C ATOM 0 H ALA A 135 -4.394 1.621 19.587 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.181 3.178 20.220 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -1.852 2.693 22.653 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -3.360 3.607 22.413 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -3.420 1.852 22.699 1.00 0.00 H new ATOM 2056 N TYR A 136 -1.730 0.799 19.232 1.00 0.00 N ATOM 2057 CA TYR A 136 -1.065 -0.497 18.930 1.00 0.00 C ATOM 2058 C TYR A 136 0.443 -0.268 18.768 1.00 0.00 C ATOM 2059 O TYR A 136 0.878 0.550 17.984 1.00 0.00 O ATOM 2060 CB TYR A 136 -1.724 -0.978 17.627 1.00 0.00 C ATOM 2061 CG TYR A 136 -0.818 -0.724 16.445 1.00 0.00 C ATOM 2062 CD1 TYR A 136 -0.607 0.583 15.995 1.00 0.00 C ATOM 2063 CD2 TYR A 136 -0.192 -1.798 15.800 1.00 0.00 C ATOM 2064 CE1 TYR A 136 0.231 0.816 14.897 1.00 0.00 C ATOM 2065 CE2 TYR A 136 0.645 -1.565 14.703 1.00 0.00 C ATOM 2066 CZ TYR A 136 0.857 -0.259 14.253 1.00 0.00 C ATOM 2067 OH TYR A 136 1.683 -0.031 13.173 1.00 0.00 O ATOM 0 H TYR A 136 -1.863 1.420 18.433 1.00 0.00 H new ATOM 0 HA TYR A 136 -1.178 -1.241 19.719 1.00 0.00 H new ATOM 0 HB2 TYR A 136 -1.948 -2.042 17.698 1.00 0.00 H new ATOM 0 HB3 TYR A 136 -2.673 -0.462 17.482 1.00 0.00 H new ATOM 0 HD1 TYR A 136 -1.089 1.411 16.493 1.00 0.00 H new ATOM 0 HD2 TYR A 136 -0.355 -2.807 16.149 1.00 0.00 H new ATOM 0 HE1 TYR A 136 0.394 1.825 14.547 1.00 0.00 H new ATOM 0 HE2 TYR A 136 1.127 -2.393 14.205 1.00 0.00 H new ATOM 0 HH TYR A 136 2.580 -0.375 13.368 1.00 0.00 H new ATOM 2077 N TYR A 137 1.245 -0.976 19.519 1.00 0.00 N ATOM 2078 CA TYR A 137 2.716 -0.786 19.417 1.00 0.00 C ATOM 2079 C TYR A 137 3.464 -2.041 19.875 1.00 0.00 C ATOM 2080 O TYR A 137 2.892 -2.942 20.453 1.00 0.00 O ATOM 2081 CB TYR A 137 3.023 0.429 20.295 1.00 0.00 C ATOM 2082 CG TYR A 137 3.034 0.069 21.761 1.00 0.00 C ATOM 2083 CD1 TYR A 137 4.123 -0.611 22.322 1.00 0.00 C ATOM 2084 CD2 TYR A 137 1.955 0.448 22.567 1.00 0.00 C ATOM 2085 CE1 TYR A 137 4.129 -0.910 23.687 1.00 0.00 C ATOM 2086 CE2 TYR A 137 1.957 0.146 23.930 1.00 0.00 C ATOM 2087 CZ TYR A 137 3.045 -0.533 24.494 1.00 0.00 C ATOM 2088 OH TYR A 137 3.053 -0.823 25.843 1.00 0.00 O ATOM 0 H TYR A 137 0.943 -1.676 20.197 1.00 0.00 H new ATOM 0 HA TYR A 137 3.043 -0.619 18.391 1.00 0.00 H new ATOM 0 HB2 TYR A 137 3.991 0.845 20.015 1.00 0.00 H new ATOM 0 HB3 TYR A 137 2.279 1.205 20.116 1.00 0.00 H new ATOM 0 HD1 TYR A 137 4.956 -0.904 21.701 1.00 0.00 H new ATOM 0 HD2 TYR A 137 1.118 0.976 22.134 1.00 0.00 H new ATOM 0 HE1 TYR A 137 4.969 -1.432 24.121 1.00 0.00 H new ATOM 0 HE2 TYR A 137 1.121 0.435 24.549 1.00 0.00 H new ATOM 0 HH TYR A 137 3.749 -1.487 26.031 1.00 0.00 H new ATOM 2098 N ILE A 138 4.738 -2.111 19.597 1.00 0.00 N ATOM 2099 CA ILE A 138 5.534 -3.312 19.979 1.00 0.00 C ATOM 2100 C ILE A 138 6.385 -3.037 21.219 1.00 0.00 C ATOM 2101 O ILE A 138 6.802 -1.923 21.470 1.00 0.00 O ATOM 2102 CB ILE A 138 6.425 -3.594 18.770 1.00 0.00 C ATOM 2103 CG1 ILE A 138 5.599 -4.281 17.679 1.00 0.00 C ATOM 2104 CG2 ILE A 138 7.580 -4.509 19.183 1.00 0.00 C ATOM 2105 CD1 ILE A 138 4.832 -3.227 16.878 1.00 0.00 C ATOM 0 H ILE A 138 5.265 -1.381 19.118 1.00 0.00 H new ATOM 0 HA ILE A 138 4.894 -4.158 20.229 1.00 0.00 H new ATOM 0 HB ILE A 138 6.826 -2.654 18.390 1.00 0.00 H new ATOM 0 HG12 ILE A 138 6.252 -4.851 17.018 1.00 0.00 H new ATOM 0 HG13 ILE A 138 4.903 -4.990 18.127 1.00 0.00 H new ATOM 0 HG21 ILE A 138 8.213 -4.708 18.319 1.00 0.00 H new ATOM 0 HG22 ILE A 138 8.169 -4.023 19.960 1.00 0.00 H new ATOM 0 HG23 ILE A 138 7.181 -5.449 19.565 1.00 0.00 H new ATOM 0 HD11 ILE A 138 4.244 -3.717 16.102 1.00 0.00 H new ATOM 0 HD12 ILE A 138 4.167 -2.677 17.544 1.00 0.00 H new ATOM 0 HD13 ILE A 138 5.538 -2.536 16.417 1.00 0.00 H new ATOM 2117 N TYR A 139 6.633 -4.050 21.998 1.00 0.00 N ATOM 2118 CA TYR A 139 7.445 -3.873 23.233 1.00 0.00 C ATOM 2119 C TYR A 139 8.901 -4.260 22.993 1.00 0.00 C ATOM 2120 O TYR A 139 9.202 -5.289 22.423 1.00 0.00 O ATOM 2121 CB TYR A 139 6.803 -4.797 24.255 1.00 0.00 C ATOM 2122 CG TYR A 139 5.440 -4.259 24.581 1.00 0.00 C ATOM 2123 CD1 TYR A 139 4.436 -4.281 23.610 1.00 0.00 C ATOM 2124 CD2 TYR A 139 5.188 -3.726 25.845 1.00 0.00 C ATOM 2125 CE1 TYR A 139 3.169 -3.772 23.904 1.00 0.00 C ATOM 2126 CE2 TYR A 139 3.919 -3.216 26.145 1.00 0.00 C ATOM 2127 CZ TYR A 139 2.908 -3.241 25.174 1.00 0.00 C ATOM 2128 OH TYR A 139 1.658 -2.739 25.469 1.00 0.00 O ATOM 0 H TYR A 139 6.305 -5.001 21.831 1.00 0.00 H new ATOM 0 HA TYR A 139 7.459 -2.835 23.566 1.00 0.00 H new ATOM 0 HB2 TYR A 139 6.727 -5.809 23.858 1.00 0.00 H new ATOM 0 HB3 TYR A 139 7.415 -4.853 25.155 1.00 0.00 H new ATOM 0 HD1 TYR A 139 4.639 -4.692 22.632 1.00 0.00 H new ATOM 0 HD2 TYR A 139 5.969 -3.707 26.590 1.00 0.00 H new ATOM 0 HE1 TYR A 139 2.392 -3.788 23.154 1.00 0.00 H new ATOM 0 HE2 TYR A 139 3.719 -2.804 27.123 1.00 0.00 H new ATOM 0 HH TYR A 139 1.722 -1.774 25.627 1.00 0.00 H new ATOM 2138 N SER A 140 9.805 -3.433 23.430 1.00 0.00 N ATOM 2139 CA SER A 140 11.252 -3.733 23.237 1.00 0.00 C ATOM 2140 C SER A 140 11.768 -4.605 24.384 1.00 0.00 C ATOM 2141 O SER A 140 12.761 -4.296 25.014 1.00 0.00 O ATOM 2142 CB SER A 140 11.943 -2.371 23.244 1.00 0.00 C ATOM 2143 OG SER A 140 13.315 -2.542 23.575 1.00 0.00 O ATOM 0 H SER A 140 9.606 -2.558 23.915 1.00 0.00 H new ATOM 0 HA SER A 140 11.442 -4.280 22.313 1.00 0.00 H new ATOM 0 HB2 SER A 140 11.849 -1.898 22.267 1.00 0.00 H new ATOM 0 HB3 SER A 140 11.463 -1.710 23.966 1.00 0.00 H new ATOM 0 HG SER A 140 13.389 -2.926 24.474 1.00 0.00 H new ATOM 2149 N GLY A 141 11.104 -5.694 24.661 1.00 0.00 N ATOM 2150 CA GLY A 141 11.557 -6.584 25.767 1.00 0.00 C ATOM 2151 C GLY A 141 11.931 -5.738 26.985 1.00 0.00 C ATOM 2152 O GLY A 141 12.752 -6.126 27.792 1.00 0.00 O ATOM 0 H GLY A 141 10.267 -6.006 24.169 1.00 0.00 H new ATOM 0 HA2 GLY A 141 10.766 -7.287 26.029 1.00 0.00 H new ATOM 0 HA3 GLY A 141 12.415 -7.174 25.444 1.00 0.00 H new ATOM 2156 N GLY A 142 11.334 -4.587 27.126 1.00 0.00 N ATOM 2157 CA GLY A 142 11.657 -3.719 28.294 1.00 0.00 C ATOM 2158 C GLY A 142 11.120 -2.307 28.048 1.00 0.00 C ATOM 2159 O GLY A 142 10.721 -1.616 28.964 1.00 0.00 O ATOM 0 H GLY A 142 10.637 -4.210 26.484 1.00 0.00 H new ATOM 0 HA2 GLY A 142 11.217 -4.134 29.201 1.00 0.00 H new ATOM 0 HA3 GLY A 142 12.735 -3.687 28.449 1.00 0.00 H new ATOM 2163 N GLU A 143 11.106 -1.873 26.818 1.00 0.00 N ATOM 2164 CA GLU A 143 10.594 -0.506 26.515 1.00 0.00 C ATOM 2165 C GLU A 143 9.404 -0.587 25.556 1.00 0.00 C ATOM 2166 O GLU A 143 9.505 -1.119 24.468 1.00 0.00 O ATOM 2167 CB GLU A 143 11.767 0.222 25.857 1.00 0.00 C ATOM 2168 CG GLU A 143 11.337 1.638 25.469 1.00 0.00 C ATOM 2169 CD GLU A 143 11.211 2.496 26.729 1.00 0.00 C ATOM 2170 OE1 GLU A 143 12.191 2.609 27.446 1.00 0.00 O ATOM 2171 OE2 GLU A 143 10.136 3.026 26.955 1.00 0.00 O ATOM 0 H GLU A 143 11.427 -2.405 26.009 1.00 0.00 H new ATOM 0 HA GLU A 143 10.245 0.011 27.409 1.00 0.00 H new ATOM 0 HB2 GLU A 143 12.614 0.263 26.542 1.00 0.00 H new ATOM 0 HB3 GLU A 143 12.098 -0.324 24.973 1.00 0.00 H new ATOM 0 HG2 GLU A 143 12.066 2.077 24.788 1.00 0.00 H new ATOM 0 HG3 GLU A 143 10.385 1.608 24.940 1.00 0.00 H new ATOM 2178 N LYS A 144 8.275 -0.067 25.954 1.00 0.00 N ATOM 2179 CA LYS A 144 7.076 -0.115 25.068 1.00 0.00 C ATOM 2180 C LYS A 144 7.241 0.851 23.896 1.00 0.00 C ATOM 2181 O LYS A 144 7.114 2.050 24.042 1.00 0.00 O ATOM 2182 CB LYS A 144 5.912 0.320 25.960 1.00 0.00 C ATOM 2183 CG LYS A 144 6.225 1.684 26.579 1.00 0.00 C ATOM 2184 CD LYS A 144 5.888 1.658 28.070 1.00 0.00 C ATOM 2185 CE LYS A 144 4.376 1.813 28.256 1.00 0.00 C ATOM 2186 NZ LYS A 144 4.209 2.273 29.664 1.00 0.00 N ATOM 0 H LYS A 144 8.131 0.389 26.855 1.00 0.00 H new ATOM 0 HA LYS A 144 6.919 -1.105 24.640 1.00 0.00 H new ATOM 0 HB2 LYS A 144 4.994 0.376 25.376 1.00 0.00 H new ATOM 0 HB3 LYS A 144 5.746 -0.418 26.745 1.00 0.00 H new ATOM 0 HG2 LYS A 144 7.278 1.926 26.438 1.00 0.00 H new ATOM 0 HG3 LYS A 144 5.649 2.463 26.079 1.00 0.00 H new ATOM 0 HD2 LYS A 144 6.225 0.721 28.513 1.00 0.00 H new ATOM 0 HD3 LYS A 144 6.413 2.462 28.586 1.00 0.00 H new ATOM 0 HE2 LYS A 144 3.963 2.536 27.552 1.00 0.00 H new ATOM 0 HE3 LYS A 144 3.858 0.870 28.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 3.198 2.402 29.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 4.605 1.562 30.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 4.707 3.176 29.796 1.00 0.00 H new ATOM 2200 N ILE A 145 7.505 0.332 22.730 1.00 0.00 N ATOM 2201 CA ILE A 145 7.659 1.211 21.538 1.00 0.00 C ATOM 2202 C ILE A 145 6.275 1.483 20.948 1.00 0.00 C ATOM 2203 O ILE A 145 5.649 0.588 20.423 1.00 0.00 O ATOM 2204 CB ILE A 145 8.522 0.404 20.567 1.00 0.00 C ATOM 2205 CG1 ILE A 145 9.995 0.750 20.790 1.00 0.00 C ATOM 2206 CG2 ILE A 145 8.131 0.738 19.128 1.00 0.00 C ATOM 2207 CD1 ILE A 145 10.436 0.233 22.160 1.00 0.00 C ATOM 0 H ILE A 145 7.621 -0.665 22.551 1.00 0.00 H new ATOM 0 HA ILE A 145 8.115 2.175 21.764 1.00 0.00 H new ATOM 0 HB ILE A 145 8.366 -0.660 20.743 1.00 0.00 H new ATOM 0 HG12 ILE A 145 10.607 0.304 20.006 1.00 0.00 H new ATOM 0 HG13 ILE A 145 10.139 1.829 20.732 1.00 0.00 H new ATOM 0 HG21 ILE A 145 8.748 0.161 18.440 1.00 0.00 H new ATOM 0 HG22 ILE A 145 7.082 0.490 18.969 1.00 0.00 H new ATOM 0 HG23 ILE A 145 8.284 1.802 18.947 1.00 0.00 H new ATOM 0 HD11 ILE A 145 11.486 0.479 22.321 1.00 0.00 H new ATOM 0 HD12 ILE A 145 9.831 0.700 22.937 1.00 0.00 H new ATOM 0 HD13 ILE A 145 10.306 -0.849 22.200 1.00 0.00 H new ATOM 2219 N PRO A 146 5.836 2.705 21.078 1.00 0.00 N ATOM 2220 CA PRO A 146 4.494 3.091 20.573 1.00 0.00 C ATOM 2221 C PRO A 146 4.478 3.231 19.047 1.00 0.00 C ATOM 2222 O PRO A 146 5.295 3.918 18.465 1.00 0.00 O ATOM 2223 CB PRO A 146 4.240 4.440 21.237 1.00 0.00 C ATOM 2224 CG PRO A 146 5.599 4.996 21.529 1.00 0.00 C ATOM 2225 CD PRO A 146 6.538 3.830 21.704 1.00 0.00 C ATOM 0 HA PRO A 146 3.735 2.343 20.803 1.00 0.00 H new ATOM 0 HB2 PRO A 146 3.676 5.102 20.580 1.00 0.00 H new ATOM 0 HB3 PRO A 146 3.657 4.326 22.151 1.00 0.00 H new ATOM 0 HG2 PRO A 146 5.933 5.639 20.714 1.00 0.00 H new ATOM 0 HG3 PRO A 146 5.577 5.609 22.430 1.00 0.00 H new ATOM 0 HD2 PRO A 146 7.499 4.017 21.224 1.00 0.00 H new ATOM 0 HD3 PRO A 146 6.741 3.636 22.757 1.00 0.00 H new ATOM 2233 N LEU A 147 3.532 2.601 18.399 1.00 0.00 N ATOM 2234 CA LEU A 147 3.429 2.709 16.915 1.00 0.00 C ATOM 2235 C LEU A 147 2.035 3.211 16.538 1.00 0.00 C ATOM 2236 O LEU A 147 1.042 2.741 17.055 1.00 0.00 O ATOM 2237 CB LEU A 147 3.642 1.291 16.385 1.00 0.00 C ATOM 2238 CG LEU A 147 5.126 0.938 16.456 1.00 0.00 C ATOM 2239 CD1 LEU A 147 5.340 -0.112 17.543 1.00 0.00 C ATOM 2240 CD2 LEU A 147 5.581 0.377 15.108 1.00 0.00 C ATOM 0 H LEU A 147 2.823 2.013 18.838 1.00 0.00 H new ATOM 0 HA LEU A 147 4.158 3.405 16.499 1.00 0.00 H new ATOM 0 HB2 LEU A 147 3.060 0.581 16.972 1.00 0.00 H new ATOM 0 HB3 LEU A 147 3.289 1.219 15.356 1.00 0.00 H new ATOM 0 HG LEU A 147 5.705 1.831 16.690 1.00 0.00 H new ATOM 0 HD11 LEU A 147 6.398 -0.368 17.598 1.00 0.00 H new ATOM 0 HD12 LEU A 147 5.012 0.286 18.503 1.00 0.00 H new ATOM 0 HD13 LEU A 147 4.763 -1.005 17.305 1.00 0.00 H new ATOM 0 HD21 LEU A 147 6.640 0.125 15.158 1.00 0.00 H new ATOM 0 HD22 LEU A 147 5.005 -0.518 14.874 1.00 0.00 H new ATOM 0 HD23 LEU A 147 5.422 1.124 14.331 1.00 0.00 H new ATOM 2252 N VAL A 148 1.943 4.159 15.649 1.00 0.00 N ATOM 2253 CA VAL A 148 0.598 4.668 15.268 1.00 0.00 C ATOM 2254 C VAL A 148 0.221 4.194 13.862 1.00 0.00 C ATOM 2255 O VAL A 148 0.865 4.530 12.888 1.00 0.00 O ATOM 2256 CB VAL A 148 0.730 6.191 15.300 1.00 0.00 C ATOM 2257 CG1 VAL A 148 0.849 6.662 16.751 1.00 0.00 C ATOM 2258 CG2 VAL A 148 1.981 6.609 14.524 1.00 0.00 C ATOM 0 H VAL A 148 2.731 4.599 15.174 1.00 0.00 H new ATOM 0 HA VAL A 148 -0.181 4.308 15.940 1.00 0.00 H new ATOM 0 HB VAL A 148 -0.150 6.643 14.843 1.00 0.00 H new ATOM 0 HG11 VAL A 148 0.943 7.748 16.775 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -0.041 6.363 17.305 1.00 0.00 H new ATOM 0 HG13 VAL A 148 1.730 6.211 17.209 1.00 0.00 H new ATOM 0 HG21 VAL A 148 2.077 7.695 14.546 1.00 0.00 H new ATOM 0 HG22 VAL A 148 2.861 6.158 14.982 1.00 0.00 H new ATOM 0 HG23 VAL A 148 1.897 6.273 13.491 1.00 0.00 H new ATOM 2268 N LEU A 149 -0.828 3.423 13.749 1.00 0.00 N ATOM 2269 CA LEU A 149 -1.256 2.939 12.406 1.00 0.00 C ATOM 2270 C LEU A 149 -2.721 3.313 12.163 1.00 0.00 C ATOM 2271 O LEU A 149 -3.610 2.841 12.842 1.00 0.00 O ATOM 2272 CB LEU A 149 -1.095 1.419 12.459 1.00 0.00 C ATOM 2273 CG LEU A 149 -1.573 0.806 11.142 1.00 0.00 C ATOM 2274 CD1 LEU A 149 -0.991 -0.601 10.990 1.00 0.00 C ATOM 2275 CD2 LEU A 149 -3.101 0.726 11.143 1.00 0.00 C ATOM 0 H LEU A 149 -1.406 3.108 14.528 1.00 0.00 H new ATOM 0 HA LEU A 149 -0.670 3.380 11.599 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -0.051 1.160 12.635 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -1.669 1.011 13.291 1.00 0.00 H new ATOM 0 HG LEU A 149 -1.240 1.428 10.311 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -1.333 -1.037 10.051 1.00 0.00 H new ATOM 0 HD12 LEU A 149 0.098 -0.546 10.990 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -1.323 -1.224 11.821 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -3.443 0.289 10.205 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -3.432 0.104 11.975 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -3.518 1.727 11.250 1.00 0.00 H new ATOM 2287 N SER A 150 -2.983 4.161 11.206 1.00 0.00 N ATOM 2288 CA SER A 150 -4.397 4.559 10.937 1.00 0.00 C ATOM 2289 C SER A 150 -4.506 5.316 9.608 1.00 0.00 C ATOM 2290 O SER A 150 -5.458 6.034 9.373 1.00 0.00 O ATOM 2291 CB SER A 150 -4.777 5.471 12.103 1.00 0.00 C ATOM 2292 OG SER A 150 -6.137 5.860 11.970 1.00 0.00 O ATOM 0 H SER A 150 -2.285 4.594 10.601 1.00 0.00 H new ATOM 0 HA SER A 150 -5.055 3.694 10.857 1.00 0.00 H new ATOM 0 HB2 SER A 150 -4.626 4.952 13.050 1.00 0.00 H new ATOM 0 HB3 SER A 150 -4.134 6.351 12.116 1.00 0.00 H new ATOM 0 HG SER A 150 -6.351 5.983 11.022 1.00 0.00 H new ATOM 2298 N ARG A 151 -3.548 5.159 8.737 1.00 0.00 N ATOM 2299 CA ARG A 151 -3.614 5.871 7.427 1.00 0.00 C ATOM 2300 C ARG A 151 -3.822 4.863 6.293 1.00 0.00 C ATOM 2301 O ARG A 151 -3.060 3.928 6.147 1.00 0.00 O ATOM 2302 CB ARG A 151 -2.262 6.571 7.286 1.00 0.00 C ATOM 2303 CG ARG A 151 -2.459 8.086 7.386 1.00 0.00 C ATOM 2304 CD ARG A 151 -1.305 8.801 6.679 1.00 0.00 C ATOM 2305 NE ARG A 151 -1.957 9.822 5.815 1.00 0.00 N ATOM 2306 CZ ARG A 151 -1.235 10.731 5.219 1.00 0.00 C ATOM 2307 NH1 ARG A 151 0.060 10.748 5.381 1.00 0.00 N ATOM 2308 NH2 ARG A 151 -1.808 11.626 4.460 1.00 0.00 N ATOM 0 H ARG A 151 -2.725 4.572 8.873 1.00 0.00 H new ATOM 0 HA ARG A 151 -4.442 6.579 7.380 1.00 0.00 H new ATOM 0 HB2 ARG A 151 -1.581 6.230 8.065 1.00 0.00 H new ATOM 0 HB3 ARG A 151 -1.806 6.315 6.330 1.00 0.00 H new ATOM 0 HG2 ARG A 151 -3.409 8.370 6.933 1.00 0.00 H new ATOM 0 HG3 ARG A 151 -2.502 8.389 8.432 1.00 0.00 H new ATOM 0 HD2 ARG A 151 -0.629 9.265 7.397 1.00 0.00 H new ATOM 0 HD3 ARG A 151 -0.712 8.104 6.087 1.00 0.00 H new ATOM 0 HE ARG A 151 -2.969 9.811 5.689 1.00 0.00 H new ATOM 0 HH11 ARG A 151 0.509 10.050 5.974 1.00 0.00 H new ATOM 0 HH12 ARG A 151 0.623 11.459 4.914 1.00 0.00 H new ATOM 0 HH21 ARG A 151 -2.820 11.615 4.333 1.00 0.00 H new ATOM 0 HH22 ARG A 151 -1.244 12.337 3.994 1.00 0.00 H new ATOM 2322 N PRO A 152 -4.855 5.087 5.528 1.00 0.00 N ATOM 2323 CA PRO A 152 -5.175 4.184 4.396 1.00 0.00 C ATOM 2324 C PRO A 152 -4.171 4.370 3.255 1.00 0.00 C ATOM 2325 O PRO A 152 -3.791 5.476 2.923 1.00 0.00 O ATOM 2326 CB PRO A 152 -6.573 4.627 3.969 1.00 0.00 C ATOM 2327 CG PRO A 152 -6.683 6.048 4.420 1.00 0.00 C ATOM 2328 CD PRO A 152 -5.813 6.193 5.642 1.00 0.00 C ATOM 0 HA PRO A 152 -5.130 3.129 4.666 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -6.701 4.544 2.890 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -7.342 4.006 4.429 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -6.358 6.728 3.633 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -7.718 6.300 4.652 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -5.308 7.159 5.660 1.00 0.00 H new ATOM 0 HD3 PRO A 152 -6.398 6.122 6.559 1.00 0.00 H new ATOM 2336 N LEU A 153 -3.740 3.296 2.653 1.00 0.00 N ATOM 2337 CA LEU A 153 -2.762 3.407 1.534 1.00 0.00 C ATOM 2338 C LEU A 153 -3.502 3.493 0.196 1.00 0.00 C ATOM 2339 O LEU A 153 -4.543 2.895 0.011 1.00 0.00 O ATOM 2340 CB LEU A 153 -1.930 2.125 1.611 1.00 0.00 C ATOM 2341 CG LEU A 153 -1.318 1.825 0.241 1.00 0.00 C ATOM 2342 CD1 LEU A 153 -0.521 3.039 -0.240 1.00 0.00 C ATOM 2343 CD2 LEU A 153 -0.386 0.615 0.352 1.00 0.00 C ATOM 0 H LEU A 153 -4.023 2.345 2.888 1.00 0.00 H new ATOM 0 HA LEU A 153 -2.141 4.300 1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 153 -1.142 2.236 2.356 1.00 0.00 H new ATOM 0 HB3 LEU A 153 -2.556 1.292 1.931 1.00 0.00 H new ATOM 0 HG LEU A 153 -2.114 1.607 -0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 153 -0.085 2.825 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 153 -1.184 3.901 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 153 0.274 3.258 0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 153 0.050 0.401 -0.624 1.00 0.00 H new ATOM 0 HD22 LEU A 153 0.409 0.832 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 153 -0.953 -0.251 0.694 1.00 0.00 H new ATOM 2355 N SER A 154 -2.972 4.234 -0.738 1.00 0.00 N ATOM 2356 CA SER A 154 -3.645 4.357 -2.064 1.00 0.00 C ATOM 2357 C SER A 154 -3.277 3.170 -2.957 1.00 0.00 C ATOM 2358 O SER A 154 -2.287 3.195 -3.661 1.00 0.00 O ATOM 2359 CB SER A 154 -3.113 5.660 -2.658 1.00 0.00 C ATOM 2360 OG SER A 154 -1.779 5.868 -2.214 1.00 0.00 O ATOM 0 H SER A 154 -2.103 4.759 -0.641 1.00 0.00 H new ATOM 0 HA SER A 154 -4.731 4.362 -1.977 1.00 0.00 H new ATOM 0 HB2 SER A 154 -3.143 5.616 -3.747 1.00 0.00 H new ATOM 0 HB3 SER A 154 -3.744 6.496 -2.355 1.00 0.00 H new ATOM 0 HG SER A 154 -1.230 5.092 -2.453 1.00 0.00 H new ATOM 2510 N SER B 165 6.850 -8.899 17.111 1.00 0.00 N ATOM 2511 CA SER B 165 6.837 -8.705 18.589 1.00 0.00 C ATOM 2512 C SER B 165 5.410 -8.442 19.075 1.00 0.00 C ATOM 2513 O SER B 165 5.192 -8.033 20.199 1.00 0.00 O ATOM 2514 CB SER B 165 7.722 -7.484 18.837 1.00 0.00 C ATOM 2515 OG SER B 165 9.072 -7.814 18.540 1.00 0.00 O ATOM 0 HA SER B 165 7.197 -9.584 19.124 1.00 0.00 H new ATOM 0 HB2 SER B 165 7.394 -6.651 18.216 1.00 0.00 H new ATOM 0 HB3 SER B 165 7.634 -7.162 19.875 1.00 0.00 H new ATOM 0 HG SER B 165 9.097 -8.450 17.795 1.00 0.00 H new ATOM 2521 N THR B 166 4.437 -8.671 18.237 1.00 0.00 N ATOM 2522 CA THR B 166 3.024 -8.432 18.651 1.00 0.00 C ATOM 2523 C THR B 166 2.836 -6.972 19.070 1.00 0.00 C ATOM 2524 O THR B 166 3.763 -6.319 19.508 1.00 0.00 O ATOM 2525 CB THR B 166 2.795 -9.366 19.840 1.00 0.00 C ATOM 2526 OG1 THR B 166 3.539 -10.561 19.651 1.00 0.00 O ATOM 2527 CG2 THR B 166 1.307 -9.700 19.951 1.00 0.00 C ATOM 0 H THR B 166 4.558 -9.013 17.284 1.00 0.00 H new ATOM 0 HA THR B 166 2.319 -8.623 17.842 1.00 0.00 H new ATOM 0 HB THR B 166 3.123 -8.875 20.756 1.00 0.00 H new ATOM 0 HG1 THR B 166 3.395 -11.160 20.413 1.00 0.00 H new ATOM 0 HG21 THR B 166 1.146 -10.366 20.799 1.00 0.00 H new ATOM 0 HG22 THR B 166 0.738 -8.782 20.097 1.00 0.00 H new ATOM 0 HG23 THR B 166 0.975 -10.191 19.036 1.00 0.00 H new ATOM 2535 N VAL B 167 1.645 -6.455 18.940 1.00 0.00 N ATOM 2536 CA VAL B 167 1.404 -5.037 19.334 1.00 0.00 C ATOM 2537 C VAL B 167 0.557 -4.984 20.613 1.00 0.00 C ATOM 2538 O VAL B 167 -0.227 -5.871 20.886 1.00 0.00 O ATOM 2539 CB VAL B 167 0.662 -4.421 18.142 1.00 0.00 C ATOM 2540 CG1 VAL B 167 -0.172 -3.226 18.603 1.00 0.00 C ATOM 2541 CG2 VAL B 167 1.681 -3.944 17.105 1.00 0.00 C ATOM 0 H VAL B 167 0.830 -6.951 18.579 1.00 0.00 H new ATOM 0 HA VAL B 167 2.324 -4.495 19.553 1.00 0.00 H new ATOM 0 HB VAL B 167 0.005 -5.173 17.706 1.00 0.00 H new ATOM 0 HG11 VAL B 167 -0.695 -2.796 17.749 1.00 0.00 H new ATOM 0 HG12 VAL B 167 -0.899 -3.555 19.346 1.00 0.00 H new ATOM 0 HG13 VAL B 167 0.482 -2.474 19.044 1.00 0.00 H new ATOM 0 HG21 VAL B 167 1.158 -3.505 16.256 1.00 0.00 H new ATOM 0 HG22 VAL B 167 2.334 -3.196 17.554 1.00 0.00 H new ATOM 0 HG23 VAL B 167 2.278 -4.790 16.765 1.00 0.00 H new ATOM 2551 N VAL B 168 0.719 -3.955 21.406 1.00 0.00 N ATOM 2552 CA VAL B 168 -0.065 -3.851 22.674 1.00 0.00 C ATOM 2553 C VAL B 168 -1.565 -4.029 22.407 1.00 0.00 C ATOM 2554 O VAL B 168 -2.337 -4.279 23.310 1.00 0.00 O ATOM 2555 CB VAL B 168 0.223 -2.446 23.211 1.00 0.00 C ATOM 2556 CG1 VAL B 168 -0.121 -1.400 22.150 1.00 0.00 C ATOM 2557 CG2 VAL B 168 -0.626 -2.196 24.459 1.00 0.00 C ATOM 0 H VAL B 168 1.361 -3.182 21.230 1.00 0.00 H new ATOM 0 HA VAL B 168 0.216 -4.627 23.386 1.00 0.00 H new ATOM 0 HB VAL B 168 1.281 -2.370 23.461 1.00 0.00 H new ATOM 0 HG11 VAL B 168 0.087 -0.404 22.540 1.00 0.00 H new ATOM 0 HG12 VAL B 168 0.482 -1.574 21.259 1.00 0.00 H new ATOM 0 HG13 VAL B 168 -1.178 -1.476 21.893 1.00 0.00 H new ATOM 0 HG21 VAL B 168 -0.423 -1.196 24.843 1.00 0.00 H new ATOM 0 HG22 VAL B 168 -1.682 -2.278 24.203 1.00 0.00 H new ATOM 0 HG23 VAL B 168 -0.379 -2.935 25.221 1.00 0.00 H new