USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 704 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 85 GLN : amide:sc= -0.805 K(o=-2.9,f=-5.2!) USER MOD Set 1.2: A 88 GLN : amide:sc= -2.06 K(o=-2.9,f=-4.4!) USER MOD Set 2.1: A 71 TYR OH : rot 180:sc= 0.00455 USER MOD Set 2.2: A 75 SER OG : rot 100:sc= 0.045 USER MOD Set 3.1: A 36 THR OG1 : rot -140:sc= 0.069 USER MOD Set 3.2: A 38 ASN : amide:sc= -0.643 X(o=-0.69,f=-1) USER MOD Set 3.3: A 82 LYS NZ :NH3+ -147:sc= -0.118 (180deg=0) USER MOD Set 4.1: A 27 GLN : amide:sc= -0.275 K(o=-0.28,f=-3.1!) USER MOD Set 4.2: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 5.1: A 17 GLN : amide:sc= 0 K(o=0,f=0.9) USER MOD Set 5.2: A 20 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 1 GLY N :NH3+ -138:sc= 0.0466 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 ASN : amide:sc= -0.714 K(o=-0.71,f=-9.8!) USER MOD Single : A 14 GLN : amide:sc= -0.886 X(o=-0.89,f=-0.56) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.838 K(o=-0.84,f=-0.16) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 TYR OH : rot 180:sc= -1.33 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -41:sc= 1.18 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -53:sc= 1.15 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 95:sc= 0.811 USER MOD Single : A 48 MET CE :methyl -119:sc= -0.911 (180deg=-4.48!) USER MOD Single : A 55 GLN : amide:sc= 0.0571 X(o=0.057,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= -0.0561 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 70 HIS : no HD1:sc= -0.0439 X(o=-0.044,f=-0.25) USER MOD Single : A 72 LYS NZ :NH3+ 148:sc= -0.0948 (180deg=-0.442) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -0.0133 X(o=-0.013,f=-0.0067) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.668 0.135 -16.841 1.00 0.00 N ATOM 2 CA GLY A 1 -23.731 -0.224 -15.396 1.00 0.00 C ATOM 3 C GLY A 1 -25.155 -0.403 -14.906 1.00 0.00 C ATOM 4 O GLY A 1 -26.047 -0.713 -15.692 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.900 -0.397 -17.298 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.572 -0.101 -17.297 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.488 1.155 -16.938 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.174 -1.146 -15.229 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.243 0.554 -14.809 1.00 0.00 H new ATOM 10 N PRO A 2 -25.401 -0.216 -13.597 1.00 0.00 N ATOM 11 CA PRO A 2 -26.739 -0.365 -13.011 1.00 0.00 C ATOM 12 C PRO A 2 -27.681 0.793 -13.353 1.00 0.00 C ATOM 13 O PRO A 2 -28.784 0.880 -12.816 1.00 0.00 O ATOM 14 CB PRO A 2 -26.460 -0.397 -11.509 1.00 0.00 C ATOM 15 CG PRO A 2 -25.204 0.389 -11.341 1.00 0.00 C ATOM 16 CD PRO A 2 -24.390 0.150 -12.585 1.00 0.00 C ATOM 0 HA PRO A 2 -27.246 -1.251 -13.393 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -27.282 0.044 -10.944 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -26.339 -1.419 -11.150 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -25.422 1.450 -11.216 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -24.660 0.069 -10.452 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -23.834 1.041 -12.878 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -23.661 -0.647 -12.440 1.00 0.00 H new ATOM 24 N LEU A 3 -27.242 1.681 -14.243 1.00 0.00 N ATOM 25 CA LEU A 3 -28.056 2.827 -14.643 1.00 0.00 C ATOM 26 C LEU A 3 -29.084 2.440 -15.706 1.00 0.00 C ATOM 27 O LEU A 3 -30.289 2.583 -15.495 1.00 0.00 O ATOM 28 CB LEU A 3 -27.170 3.966 -15.164 1.00 0.00 C ATOM 29 CG LEU A 3 -25.992 3.537 -16.050 1.00 0.00 C ATOM 30 CD1 LEU A 3 -26.067 4.213 -17.412 1.00 0.00 C ATOM 31 CD2 LEU A 3 -24.670 3.856 -15.368 1.00 0.00 C ATOM 0 H LEU A 3 -26.331 1.630 -14.699 1.00 0.00 H new ATOM 0 HA LEU A 3 -28.593 3.170 -13.758 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -27.794 4.658 -15.730 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -26.777 4.517 -14.309 1.00 0.00 H new ATOM 0 HG LEU A 3 -26.052 2.459 -16.201 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -25.223 3.895 -18.023 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -26.998 3.934 -17.906 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -26.034 5.295 -17.284 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -23.845 3.545 -16.010 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -24.604 4.929 -15.186 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -24.612 3.323 -14.419 1.00 0.00 H new ATOM 43 N GLY A 4 -28.606 1.958 -16.851 1.00 0.00 N ATOM 44 CA GLY A 4 -29.504 1.573 -17.926 1.00 0.00 C ATOM 45 C GLY A 4 -29.600 0.070 -18.106 1.00 0.00 C ATOM 46 O GLY A 4 -29.814 -0.414 -19.218 1.00 0.00 O ATOM 0 H GLY A 4 -27.615 1.828 -17.053 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -30.497 1.974 -17.724 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -29.162 2.024 -18.857 1.00 0.00 H new ATOM 50 N SER A 5 -29.449 -0.672 -17.015 1.00 0.00 N ATOM 51 CA SER A 5 -29.527 -2.128 -17.068 1.00 0.00 C ATOM 52 C SER A 5 -30.906 -2.607 -16.618 1.00 0.00 C ATOM 53 O SER A 5 -31.373 -2.241 -15.539 1.00 0.00 O ATOM 54 CB SER A 5 -28.443 -2.753 -16.186 1.00 0.00 C ATOM 55 OG SER A 5 -28.165 -4.084 -16.586 1.00 0.00 O ATOM 0 H SER A 5 -29.272 -0.291 -16.085 1.00 0.00 H new ATOM 0 HA SER A 5 -29.366 -2.442 -18.099 1.00 0.00 H new ATOM 0 HB2 SER A 5 -27.533 -2.155 -16.244 1.00 0.00 H new ATOM 0 HB3 SER A 5 -28.766 -2.743 -15.145 1.00 0.00 H new ATOM 0 HG SER A 5 -27.468 -4.460 -16.009 1.00 0.00 H new ATOM 61 N PRO A 6 -31.582 -3.433 -17.437 1.00 0.00 N ATOM 62 CA PRO A 6 -32.914 -3.951 -17.108 1.00 0.00 C ATOM 63 C PRO A 6 -32.895 -4.863 -15.883 1.00 0.00 C ATOM 64 O PRO A 6 -33.602 -4.621 -14.907 1.00 0.00 O ATOM 65 CB PRO A 6 -33.322 -4.739 -18.358 1.00 0.00 C ATOM 66 CG PRO A 6 -32.044 -5.055 -19.055 1.00 0.00 C ATOM 67 CD PRO A 6 -31.107 -3.921 -18.745 1.00 0.00 C ATOM 0 HA PRO A 6 -33.607 -3.148 -16.856 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -33.861 -5.648 -18.092 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -33.983 -4.152 -18.995 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -31.635 -6.004 -18.708 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -32.199 -5.149 -20.130 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -30.071 -4.257 -18.696 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -31.154 -3.142 -19.506 1.00 0.00 H new ATOM 75 N ARG A 7 -32.080 -5.912 -15.944 1.00 0.00 N ATOM 76 CA ARG A 7 -31.969 -6.860 -14.839 1.00 0.00 C ATOM 77 C ARG A 7 -30.886 -6.426 -13.856 1.00 0.00 C ATOM 78 O ARG A 7 -29.738 -6.203 -14.239 1.00 0.00 O ATOM 79 CB ARG A 7 -31.662 -8.264 -15.369 1.00 0.00 C ATOM 80 CG ARG A 7 -30.396 -8.335 -16.207 1.00 0.00 C ATOM 81 CD ARG A 7 -30.039 -9.769 -16.568 1.00 0.00 C ATOM 82 NE ARG A 7 -29.886 -9.946 -18.009 1.00 0.00 N ATOM 83 CZ ARG A 7 -28.989 -9.294 -18.745 1.00 0.00 C ATOM 84 NH1 ARG A 7 -28.144 -8.443 -18.175 1.00 0.00 N ATOM 85 NH2 ARG A 7 -28.931 -9.500 -20.053 1.00 0.00 N ATOM 0 H ARG A 7 -31.487 -6.127 -16.746 1.00 0.00 H new ATOM 0 HA ARG A 7 -32.924 -6.880 -14.314 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -31.569 -8.949 -14.526 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -32.504 -8.609 -15.969 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -30.530 -7.753 -17.119 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -29.571 -7.882 -15.658 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -29.112 -10.049 -16.067 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -30.815 -10.440 -16.200 1.00 0.00 H new ATOM 0 HE ARG A 7 -30.503 -10.608 -18.479 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -28.180 -8.286 -17.168 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -27.459 -7.946 -18.744 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -29.573 -10.158 -20.495 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -28.244 -9.001 -20.618 1.00 0.00 H new ATOM 99 N ASN A 8 -31.260 -6.305 -12.586 1.00 0.00 N ATOM 100 CA ASN A 8 -30.319 -5.899 -11.549 1.00 0.00 C ATOM 101 C ASN A 8 -29.975 -7.073 -10.641 1.00 0.00 C ATOM 102 O ASN A 8 -30.801 -7.955 -10.409 1.00 0.00 O ATOM 103 CB ASN A 8 -30.900 -4.750 -10.720 1.00 0.00 C ATOM 104 CG ASN A 8 -29.827 -3.804 -10.218 1.00 0.00 C ATOM 105 OD1 ASN A 8 -29.641 -2.714 -10.759 1.00 0.00 O ATOM 106 ND2 ASN A 8 -29.114 -4.218 -9.178 1.00 0.00 N ATOM 0 H ASN A 8 -32.207 -6.482 -12.251 1.00 0.00 H new ATOM 0 HA ASN A 8 -29.406 -5.558 -12.036 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -31.617 -4.195 -11.325 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -31.448 -5.158 -9.871 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -28.378 -3.625 -8.796 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -29.303 -5.129 -8.761 1.00 0.00 H new ATOM 113 N ALA A 9 -28.748 -7.079 -10.132 1.00 0.00 N ATOM 114 CA ALA A 9 -28.290 -8.145 -9.252 1.00 0.00 C ATOM 115 C ALA A 9 -28.995 -8.085 -7.903 1.00 0.00 C ATOM 116 O ALA A 9 -29.289 -7.005 -7.391 1.00 0.00 O ATOM 117 CB ALA A 9 -26.784 -8.062 -9.067 1.00 0.00 C ATOM 0 H ALA A 9 -28.052 -6.356 -10.315 1.00 0.00 H new ATOM 0 HA ALA A 9 -28.537 -9.099 -9.718 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -26.454 -8.864 -8.407 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -26.292 -8.163 -10.035 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -26.524 -7.100 -8.626 1.00 0.00 H new ATOM 123 N ASN A 10 -29.263 -9.254 -7.329 1.00 0.00 N ATOM 124 CA ASN A 10 -29.932 -9.334 -6.037 1.00 0.00 C ATOM 125 C ASN A 10 -28.949 -9.070 -4.902 1.00 0.00 C ATOM 126 O ASN A 10 -29.155 -8.174 -4.085 1.00 0.00 O ATOM 127 CB ASN A 10 -30.584 -10.707 -5.854 1.00 0.00 C ATOM 128 CG ASN A 10 -31.988 -10.768 -6.427 1.00 0.00 C ATOM 129 OD1 ASN A 10 -32.173 -10.891 -7.637 1.00 0.00 O ATOM 130 ND2 ASN A 10 -32.988 -10.685 -5.555 1.00 0.00 N ATOM 0 H ASN A 10 -29.027 -10.158 -7.739 1.00 0.00 H new ATOM 0 HA ASN A 10 -30.708 -8.569 -6.011 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -29.966 -11.465 -6.335 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -30.618 -10.950 -4.792 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -33.954 -10.723 -5.881 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -32.790 -10.584 -4.560 1.00 0.00 H new ATOM 137 N ASP A 11 -27.877 -9.855 -4.860 1.00 0.00 N ATOM 138 CA ASP A 11 -26.861 -9.703 -3.825 1.00 0.00 C ATOM 139 C ASP A 11 -25.827 -8.659 -4.232 1.00 0.00 C ATOM 140 O ASP A 11 -25.277 -8.710 -5.332 1.00 0.00 O ATOM 141 CB ASP A 11 -26.172 -11.041 -3.551 1.00 0.00 C ATOM 142 CG ASP A 11 -27.160 -12.134 -3.192 1.00 0.00 C ATOM 143 OD1 ASP A 11 -28.071 -12.398 -4.002 1.00 0.00 O ATOM 144 OD2 ASP A 11 -27.021 -12.724 -2.099 1.00 0.00 O ATOM 0 H ASP A 11 -27.690 -10.601 -5.529 1.00 0.00 H new ATOM 0 HA ASP A 11 -27.355 -9.367 -2.913 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -25.605 -11.342 -4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -25.457 -10.919 -2.737 1.00 0.00 H new ATOM 149 N ASN A 12 -25.568 -7.712 -3.337 1.00 0.00 N ATOM 150 CA ASN A 12 -24.603 -6.653 -3.601 1.00 0.00 C ATOM 151 C ASN A 12 -23.202 -7.075 -3.171 1.00 0.00 C ATOM 152 O ASN A 12 -22.741 -6.720 -2.086 1.00 0.00 O ATOM 153 CB ASN A 12 -25.010 -5.374 -2.870 1.00 0.00 C ATOM 154 CG ASN A 12 -26.084 -4.603 -3.610 1.00 0.00 C ATOM 155 OD1 ASN A 12 -27.252 -4.993 -3.619 1.00 0.00 O ATOM 156 ND2 ASN A 12 -25.692 -3.500 -4.237 1.00 0.00 N ATOM 0 H ASN A 12 -26.014 -7.657 -2.421 1.00 0.00 H new ATOM 0 HA ASN A 12 -24.592 -6.463 -4.674 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -25.370 -5.627 -1.873 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -24.134 -4.738 -2.740 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -26.370 -2.938 -4.753 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -24.713 -3.214 -4.203 1.00 0.00 H new ATOM 163 N ASN A 13 -22.529 -7.833 -4.031 1.00 0.00 N ATOM 164 CA ASN A 13 -21.178 -8.305 -3.744 1.00 0.00 C ATOM 165 C ASN A 13 -20.135 -7.380 -4.363 1.00 0.00 C ATOM 166 O ASN A 13 -19.848 -7.462 -5.556 1.00 0.00 O ATOM 167 CB ASN A 13 -20.990 -9.728 -4.274 1.00 0.00 C ATOM 168 CG ASN A 13 -19.678 -10.344 -3.828 1.00 0.00 C ATOM 169 OD1 ASN A 13 -18.661 -9.660 -3.720 1.00 0.00 O ATOM 170 ND2 ASN A 13 -19.693 -11.648 -3.569 1.00 0.00 N ATOM 0 H ASN A 13 -22.897 -8.134 -4.933 1.00 0.00 H new ATOM 0 HA ASN A 13 -21.042 -8.305 -2.662 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -21.816 -10.352 -3.932 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -21.030 -9.715 -5.363 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -18.839 -12.118 -3.268 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -20.558 -12.178 -3.671 1.00 0.00 H new ATOM 177 N GLN A 14 -19.571 -6.498 -3.542 1.00 0.00 N ATOM 178 CA GLN A 14 -18.559 -5.557 -4.011 1.00 0.00 C ATOM 179 C GLN A 14 -17.247 -6.271 -4.330 1.00 0.00 C ATOM 180 O GLN A 14 -16.416 -5.752 -5.074 1.00 0.00 O ATOM 181 CB GLN A 14 -18.323 -4.467 -2.964 1.00 0.00 C ATOM 182 CG GLN A 14 -17.783 -4.993 -1.646 1.00 0.00 C ATOM 183 CD GLN A 14 -18.874 -5.216 -0.617 1.00 0.00 C ATOM 184 OE1 GLN A 14 -18.989 -6.297 -0.041 1.00 0.00 O ATOM 185 NE2 GLN A 14 -19.680 -4.188 -0.379 1.00 0.00 N ATOM 0 H GLN A 14 -19.797 -6.416 -2.551 1.00 0.00 H new ATOM 0 HA GLN A 14 -18.927 -5.097 -4.928 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -17.624 -3.734 -3.367 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -19.261 -3.944 -2.779 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -17.257 -5.931 -1.822 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -17.053 -4.288 -1.249 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -19.548 -3.310 -0.880 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -20.431 -4.277 0.305 1.00 0.00 H new ATOM 194 N PHE A 15 -17.067 -7.465 -3.770 1.00 0.00 N ATOM 195 CA PHE A 15 -15.855 -8.244 -4.004 1.00 0.00 C ATOM 196 C PHE A 15 -15.984 -9.084 -5.275 1.00 0.00 C ATOM 197 O PHE A 15 -15.630 -10.262 -5.292 1.00 0.00 O ATOM 198 CB PHE A 15 -15.568 -9.151 -2.806 1.00 0.00 C ATOM 199 CG PHE A 15 -14.692 -8.516 -1.764 1.00 0.00 C ATOM 200 CD1 PHE A 15 -15.240 -7.731 -0.762 1.00 0.00 C ATOM 201 CD2 PHE A 15 -13.320 -8.706 -1.785 1.00 0.00 C ATOM 202 CE1 PHE A 15 -14.437 -7.147 0.198 1.00 0.00 C ATOM 203 CE2 PHE A 15 -12.510 -8.124 -0.827 1.00 0.00 C ATOM 204 CZ PHE A 15 -13.070 -7.344 0.165 1.00 0.00 C ATOM 0 H PHE A 15 -17.744 -7.913 -3.152 1.00 0.00 H new ATOM 0 HA PHE A 15 -15.025 -7.549 -4.132 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -16.513 -9.441 -2.346 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -15.092 -10.066 -3.160 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -16.308 -7.574 -0.731 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -12.878 -9.316 -2.559 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -14.877 -6.537 0.973 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.442 -8.279 -0.855 1.00 0.00 H new ATOM 0 HZ PHE A 15 -12.440 -6.888 0.915 1.00 0.00 H new ATOM 214 N TYR A 16 -16.492 -8.468 -6.338 1.00 0.00 N ATOM 215 CA TYR A 16 -16.668 -9.155 -7.612 1.00 0.00 C ATOM 216 C TYR A 16 -15.367 -9.168 -8.405 1.00 0.00 C ATOM 217 O TYR A 16 -14.781 -10.226 -8.639 1.00 0.00 O ATOM 218 CB TYR A 16 -17.769 -8.477 -8.431 1.00 0.00 C ATOM 219 CG TYR A 16 -18.528 -9.425 -9.332 1.00 0.00 C ATOM 220 CD1 TYR A 16 -17.987 -9.848 -10.540 1.00 0.00 C ATOM 221 CD2 TYR A 16 -19.787 -9.894 -8.978 1.00 0.00 C ATOM 222 CE1 TYR A 16 -18.679 -10.710 -11.369 1.00 0.00 C ATOM 223 CE2 TYR A 16 -20.485 -10.757 -9.800 1.00 0.00 C ATOM 224 CZ TYR A 16 -19.928 -11.162 -10.995 1.00 0.00 C ATOM 225 OH TYR A 16 -20.622 -12.021 -11.818 1.00 0.00 O ATOM 0 H TYR A 16 -16.789 -7.492 -6.342 1.00 0.00 H new ATOM 0 HA TYR A 16 -16.958 -10.185 -7.405 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -18.472 -7.996 -7.751 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -17.324 -7.689 -9.039 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -17.009 -9.497 -10.836 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -20.228 -9.578 -8.044 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -18.245 -11.028 -12.305 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -21.462 -11.113 -9.508 1.00 0.00 H new ATOM 0 HH TYR A 16 -21.483 -12.244 -11.407 1.00 0.00 H new ATOM 235 N GLN A 17 -14.918 -7.987 -8.816 1.00 0.00 N ATOM 236 CA GLN A 17 -13.686 -7.862 -9.587 1.00 0.00 C ATOM 237 C GLN A 17 -12.463 -7.866 -8.671 1.00 0.00 C ATOM 238 O GLN A 17 -11.817 -6.834 -8.483 1.00 0.00 O ATOM 239 CB GLN A 17 -13.708 -6.579 -10.422 1.00 0.00 C ATOM 240 CG GLN A 17 -14.785 -6.566 -11.495 1.00 0.00 C ATOM 241 CD GLN A 17 -15.605 -5.289 -11.484 1.00 0.00 C ATOM 242 OE1 GLN A 17 -15.088 -4.204 -11.748 1.00 0.00 O ATOM 243 NE2 GLN A 17 -16.890 -5.413 -11.176 1.00 0.00 N ATOM 0 H GLN A 17 -15.389 -7.102 -8.628 1.00 0.00 H new ATOM 0 HA GLN A 17 -13.619 -8.721 -10.255 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -13.858 -5.727 -9.759 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -12.735 -6.447 -10.895 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -14.319 -6.686 -12.473 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -15.447 -7.420 -11.350 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -17.277 -6.333 -10.964 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -17.490 -4.589 -11.151 1.00 0.00 H new ATOM 252 N GLN A 18 -12.149 -9.030 -8.107 1.00 0.00 N ATOM 253 CA GLN A 18 -11.000 -9.161 -7.216 1.00 0.00 C ATOM 254 C GLN A 18 -9.698 -8.978 -7.987 1.00 0.00 C ATOM 255 O GLN A 18 -8.706 -8.493 -7.442 1.00 0.00 O ATOM 256 CB GLN A 18 -11.007 -10.529 -6.529 1.00 0.00 C ATOM 257 CG GLN A 18 -9.966 -10.666 -5.429 1.00 0.00 C ATOM 258 CD GLN A 18 -10.506 -11.366 -4.197 1.00 0.00 C ATOM 259 OE1 GLN A 18 -9.894 -12.299 -3.678 1.00 0.00 O ATOM 260 NE2 GLN A 18 -11.664 -10.917 -3.724 1.00 0.00 N ATOM 0 H GLN A 18 -12.673 -9.893 -8.251 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.071 -8.383 -6.456 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.995 -10.708 -6.106 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.836 -11.303 -7.278 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -9.110 -11.222 -5.812 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -9.605 -9.676 -5.151 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -12.137 -10.141 -4.186 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -12.080 -11.349 -2.899 1.00 0.00 H new ATOM 269 N LYS A 19 -9.708 -9.368 -9.257 1.00 0.00 N ATOM 270 CA LYS A 19 -8.526 -9.245 -10.097 1.00 0.00 C ATOM 271 C LYS A 19 -8.165 -7.781 -10.308 1.00 0.00 C ATOM 272 O LYS A 19 -7.004 -7.445 -10.538 1.00 0.00 O ATOM 273 CB LYS A 19 -8.751 -9.935 -11.441 1.00 0.00 C ATOM 274 CG LYS A 19 -7.639 -10.898 -11.818 1.00 0.00 C ATOM 275 CD LYS A 19 -8.001 -12.331 -11.463 1.00 0.00 C ATOM 276 CE LYS A 19 -7.354 -13.322 -12.418 1.00 0.00 C ATOM 277 NZ LYS A 19 -8.346 -14.283 -12.974 1.00 0.00 N ATOM 0 H LYS A 19 -10.520 -9.771 -9.725 1.00 0.00 H new ATOM 0 HA LYS A 19 -7.695 -9.734 -9.589 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.696 -10.477 -11.409 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.845 -9.177 -12.219 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.440 -10.826 -12.887 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -6.721 -10.615 -11.303 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.682 -12.546 -10.443 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -9.084 -12.451 -11.491 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.876 -12.781 -13.234 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.570 -13.870 -11.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.867 -14.942 -13.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.785 -14.818 -12.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.081 -13.762 -13.494 1.00 0.00 H new ATOM 291 N GLN A 20 -9.166 -6.917 -10.218 1.00 0.00 N ATOM 292 CA GLN A 20 -8.960 -5.484 -10.386 1.00 0.00 C ATOM 293 C GLN A 20 -8.518 -4.858 -9.069 1.00 0.00 C ATOM 294 O GLN A 20 -7.636 -4.000 -9.041 1.00 0.00 O ATOM 295 CB GLN A 20 -10.246 -4.814 -10.876 1.00 0.00 C ATOM 296 CG GLN A 20 -10.324 -4.668 -12.388 1.00 0.00 C ATOM 297 CD GLN A 20 -11.609 -4.000 -12.842 1.00 0.00 C ATOM 298 OE1 GLN A 20 -12.262 -3.299 -12.068 1.00 0.00 O ATOM 299 NE2 GLN A 20 -11.979 -4.215 -14.099 1.00 0.00 N ATOM 0 H GLN A 20 -10.132 -7.184 -10.029 1.00 0.00 H new ATOM 0 HA GLN A 20 -8.179 -5.332 -11.131 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.101 -5.395 -10.532 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.327 -3.827 -10.420 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.472 -4.085 -12.738 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.248 -5.653 -12.849 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.407 -4.803 -14.705 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.835 -3.792 -14.458 1.00 0.00 H new ATOM 308 N ARG A 21 -9.138 -5.304 -7.980 1.00 0.00 N ATOM 309 CA ARG A 21 -8.825 -4.805 -6.645 1.00 0.00 C ATOM 310 C ARG A 21 -7.326 -4.871 -6.365 1.00 0.00 C ATOM 311 O ARG A 21 -6.694 -3.850 -6.090 1.00 0.00 O ATOM 312 CB ARG A 21 -9.598 -5.605 -5.600 1.00 0.00 C ATOM 313 CG ARG A 21 -11.084 -5.278 -5.586 1.00 0.00 C ATOM 314 CD ARG A 21 -11.666 -5.338 -4.183 1.00 0.00 C ATOM 315 NE ARG A 21 -13.089 -5.001 -4.173 1.00 0.00 N ATOM 316 CZ ARG A 21 -13.721 -4.456 -3.132 1.00 0.00 C ATOM 317 NH1 ARG A 21 -13.073 -4.232 -1.996 1.00 0.00 N ATOM 318 NH2 ARG A 21 -15.007 -4.147 -3.225 1.00 0.00 N ATOM 0 H ARG A 21 -9.867 -6.017 -7.998 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.125 -3.759 -6.591 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.467 -6.670 -5.794 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -9.178 -5.407 -4.614 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -11.240 -4.282 -6.001 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -11.616 -5.979 -6.230 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.526 -6.338 -3.773 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.124 -4.649 -3.535 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.632 -5.195 -5.014 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.086 -4.477 -1.915 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.562 -3.815 -1.204 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.513 -4.326 -4.092 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -15.490 -3.730 -2.429 1.00 0.00 H new ATOM 332 N GLN A 22 -6.761 -6.070 -6.445 1.00 0.00 N ATOM 333 CA GLN A 22 -5.335 -6.254 -6.208 1.00 0.00 C ATOM 334 C GLN A 22 -4.513 -5.659 -7.348 1.00 0.00 C ATOM 335 O GLN A 22 -3.323 -5.383 -7.190 1.00 0.00 O ATOM 336 CB GLN A 22 -5.008 -7.741 -6.049 1.00 0.00 C ATOM 337 CG GLN A 22 -3.939 -8.018 -5.002 1.00 0.00 C ATOM 338 CD GLN A 22 -4.463 -8.839 -3.841 1.00 0.00 C ATOM 339 OE1 GLN A 22 -4.729 -8.310 -2.762 1.00 0.00 O ATOM 340 NE2 GLN A 22 -4.616 -10.140 -4.057 1.00 0.00 N ATOM 0 H GLN A 22 -7.267 -6.926 -6.671 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.076 -5.733 -5.286 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.917 -8.278 -5.780 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.677 -8.137 -7.009 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -3.106 -8.544 -5.468 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -3.549 -7.072 -4.627 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.383 -10.537 -4.967 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -4.967 -10.743 -3.313 1.00 0.00 H new ATOM 349 N ALA A 23 -5.154 -5.461 -8.497 1.00 0.00 N ATOM 350 CA ALA A 23 -4.474 -4.897 -9.660 1.00 0.00 C ATOM 351 C ALA A 23 -3.940 -3.501 -9.366 1.00 0.00 C ATOM 352 O ALA A 23 -2.736 -3.305 -9.207 1.00 0.00 O ATOM 353 CB ALA A 23 -5.410 -4.863 -10.859 1.00 0.00 C ATOM 0 H ALA A 23 -6.138 -5.681 -8.648 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.625 -5.539 -9.894 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.887 -4.440 -11.717 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.735 -5.876 -11.096 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.279 -4.249 -10.625 1.00 0.00 H new ATOM 359 N LEU A 24 -4.845 -2.531 -9.289 1.00 0.00 N ATOM 360 CA LEU A 24 -4.458 -1.159 -9.010 1.00 0.00 C ATOM 361 C LEU A 24 -3.838 -1.056 -7.619 1.00 0.00 C ATOM 362 O LEU A 24 -2.961 -0.229 -7.380 1.00 0.00 O ATOM 363 CB LEU A 24 -5.667 -0.235 -9.138 1.00 0.00 C ATOM 364 CG LEU A 24 -5.943 0.277 -10.553 1.00 0.00 C ATOM 365 CD1 LEU A 24 -4.754 1.058 -11.089 1.00 0.00 C ATOM 366 CD2 LEU A 24 -6.282 -0.883 -11.477 1.00 0.00 C ATOM 0 H LEU A 24 -5.847 -2.672 -9.416 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.710 -0.847 -9.739 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.550 -0.765 -8.781 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.522 0.622 -8.480 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.798 0.952 -10.512 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.975 1.411 -12.096 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.557 1.911 -10.440 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.876 0.412 -11.115 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.476 -0.504 -12.480 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.445 -1.580 -11.508 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.169 -1.397 -11.106 1.00 0.00 H new ATOM 378 N GLY A 25 -4.288 -1.911 -6.705 1.00 0.00 N ATOM 379 CA GLY A 25 -3.741 -1.894 -5.360 1.00 0.00 C ATOM 380 C GLY A 25 -2.257 -2.193 -5.371 1.00 0.00 C ATOM 381 O GLY A 25 -1.475 -1.551 -4.665 1.00 0.00 O ATOM 0 H GLY A 25 -5.014 -2.608 -6.869 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.915 -0.919 -4.906 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.259 -2.630 -4.744 1.00 0.00 H new ATOM 385 N GLU A 26 -1.862 -3.156 -6.200 1.00 0.00 N ATOM 386 CA GLU A 26 -0.461 -3.518 -6.324 1.00 0.00 C ATOM 387 C GLU A 26 0.343 -2.313 -6.799 1.00 0.00 C ATOM 388 O GLU A 26 1.526 -2.184 -6.489 1.00 0.00 O ATOM 389 CB GLU A 26 -0.287 -4.695 -7.290 1.00 0.00 C ATOM 390 CG GLU A 26 -0.174 -6.039 -6.589 1.00 0.00 C ATOM 391 CD GLU A 26 1.227 -6.312 -6.076 1.00 0.00 C ATOM 392 OE1 GLU A 26 2.197 -5.938 -6.768 1.00 0.00 O ATOM 393 OE2 GLU A 26 1.353 -6.896 -4.980 1.00 0.00 O ATOM 0 H GLU A 26 -2.493 -3.696 -6.792 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.092 -3.828 -5.347 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.134 -4.721 -7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.606 -4.532 -7.893 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.875 -6.070 -5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.465 -6.831 -7.279 1.00 0.00 H new ATOM 400 N GLN A 27 -0.316 -1.420 -7.540 1.00 0.00 N ATOM 401 CA GLN A 27 0.337 -0.216 -8.037 1.00 0.00 C ATOM 402 C GLN A 27 0.841 0.620 -6.865 1.00 0.00 C ATOM 403 O GLN A 27 1.871 1.287 -6.957 1.00 0.00 O ATOM 404 CB GLN A 27 -0.625 0.600 -8.903 1.00 0.00 C ATOM 405 CG GLN A 27 -0.260 0.621 -10.377 1.00 0.00 C ATOM 406 CD GLN A 27 0.454 1.896 -10.784 1.00 0.00 C ATOM 407 OE1 GLN A 27 0.459 2.880 -10.046 1.00 0.00 O ATOM 408 NE2 GLN A 27 1.061 1.885 -11.965 1.00 0.00 N ATOM 0 H GLN A 27 -1.297 -1.510 -7.806 1.00 0.00 H new ATOM 0 HA GLN A 27 1.186 -0.506 -8.655 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.630 0.193 -8.794 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.653 1.624 -8.531 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.376 -0.235 -10.602 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.166 0.510 -10.973 1.00 0.00 H new ATOM 0 HE21 GLN A 27 1.032 1.047 -12.546 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.556 2.715 -12.292 1.00 0.00 H new ATOM 417 N LEU A 28 0.111 0.559 -5.752 1.00 0.00 N ATOM 418 CA LEU A 28 0.488 1.288 -4.546 1.00 0.00 C ATOM 419 C LEU A 28 1.865 0.829 -4.077 1.00 0.00 C ATOM 420 O LEU A 28 2.729 1.637 -3.734 1.00 0.00 O ATOM 421 CB LEU A 28 -0.547 1.045 -3.436 1.00 0.00 C ATOM 422 CG LEU A 28 -0.534 2.050 -2.277 1.00 0.00 C ATOM 423 CD1 LEU A 28 -0.926 3.434 -2.767 1.00 0.00 C ATOM 424 CD2 LEU A 28 -1.469 1.595 -1.159 1.00 0.00 C ATOM 0 H LEU A 28 -0.745 0.011 -5.662 1.00 0.00 H new ATOM 0 HA LEU A 28 0.520 2.354 -4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.540 1.050 -3.885 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.386 0.047 -3.028 1.00 0.00 H new ATOM 0 HG LEU A 28 0.479 2.099 -1.878 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.911 4.134 -1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.220 3.764 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.929 3.399 -3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.445 2.321 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.485 1.515 -1.545 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.145 0.623 -0.786 1.00 0.00 H new ATOM 436 N TYR A 29 2.053 -0.486 -4.066 1.00 0.00 N ATOM 437 CA TYR A 29 3.311 -1.087 -3.632 1.00 0.00 C ATOM 438 C TYR A 29 4.461 -0.831 -4.612 1.00 0.00 C ATOM 439 O TYR A 29 5.526 -0.361 -4.213 1.00 0.00 O ATOM 440 CB TYR A 29 3.122 -2.592 -3.437 1.00 0.00 C ATOM 441 CG TYR A 29 4.401 -3.329 -3.108 1.00 0.00 C ATOM 442 CD1 TYR A 29 5.178 -2.958 -2.018 1.00 0.00 C ATOM 443 CD2 TYR A 29 4.832 -4.390 -3.892 1.00 0.00 C ATOM 444 CE1 TYR A 29 6.350 -3.625 -1.719 1.00 0.00 C ATOM 445 CE2 TYR A 29 6.003 -5.063 -3.600 1.00 0.00 C ATOM 446 CZ TYR A 29 6.759 -4.677 -2.513 1.00 0.00 C ATOM 447 OH TYR A 29 7.927 -5.342 -2.218 1.00 0.00 O ATOM 0 H TYR A 29 1.345 -1.161 -4.355 1.00 0.00 H new ATOM 0 HA TYR A 29 3.585 -0.614 -2.689 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.402 -2.758 -2.636 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.692 -3.016 -4.345 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.861 -2.135 -1.395 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.243 -4.695 -4.744 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.943 -3.325 -0.868 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.325 -5.887 -4.220 1.00 0.00 H new ATOM 0 HH TYR A 29 8.071 -6.057 -2.873 1.00 0.00 H new ATOM 457 N LYS A 30 4.255 -1.160 -5.886 1.00 0.00 N ATOM 458 CA LYS A 30 5.296 -0.979 -6.898 1.00 0.00 C ATOM 459 C LYS A 30 5.701 0.488 -7.035 1.00 0.00 C ATOM 460 O LYS A 30 6.852 0.793 -7.353 1.00 0.00 O ATOM 461 CB LYS A 30 4.839 -1.535 -8.249 1.00 0.00 C ATOM 462 CG LYS A 30 3.695 -0.759 -8.877 1.00 0.00 C ATOM 463 CD LYS A 30 3.003 -1.576 -9.958 1.00 0.00 C ATOM 464 CE LYS A 30 3.906 -1.791 -11.163 1.00 0.00 C ATOM 465 NZ LYS A 30 3.352 -1.159 -12.392 1.00 0.00 N ATOM 0 H LYS A 30 3.383 -1.551 -6.241 1.00 0.00 H new ATOM 0 HA LYS A 30 6.173 -1.536 -6.568 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.685 -1.536 -8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.533 -2.573 -8.119 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.973 -0.484 -8.108 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.074 0.169 -9.305 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.704 -2.542 -9.550 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.092 -1.067 -10.272 1.00 0.00 H new ATOM 0 HE2 LYS A 30 4.893 -1.377 -10.955 1.00 0.00 H new ATOM 0 HE3 LYS A 30 4.037 -2.860 -11.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.997 -1.328 -13.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 2.421 -1.571 -12.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.250 -0.135 -12.240 1.00 0.00 H new ATOM 479 N LYS A 31 4.759 1.395 -6.786 1.00 0.00 N ATOM 480 CA LYS A 31 5.043 2.825 -6.877 1.00 0.00 C ATOM 481 C LYS A 31 6.117 3.214 -5.865 1.00 0.00 C ATOM 482 O LYS A 31 6.941 4.094 -6.119 1.00 0.00 O ATOM 483 CB LYS A 31 3.775 3.643 -6.638 1.00 0.00 C ATOM 484 CG LYS A 31 3.955 5.128 -6.913 1.00 0.00 C ATOM 485 CD LYS A 31 2.903 5.652 -7.881 1.00 0.00 C ATOM 486 CE LYS A 31 3.416 5.660 -9.314 1.00 0.00 C ATOM 487 NZ LYS A 31 2.315 5.865 -10.299 1.00 0.00 N ATOM 0 H LYS A 31 3.800 1.168 -6.522 1.00 0.00 H new ATOM 0 HA LYS A 31 5.408 3.040 -7.881 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.977 3.257 -7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.454 3.508 -5.605 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.896 5.682 -5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.949 5.304 -7.325 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.008 5.033 -7.817 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.613 6.662 -7.592 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.158 6.450 -9.429 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.920 4.717 -9.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.707 5.864 -11.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.620 5.097 -10.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 1.850 6.777 -10.115 1.00 0.00 H new ATOM 501 N VAL A 32 6.109 2.527 -4.726 1.00 0.00 N ATOM 502 CA VAL A 32 7.091 2.767 -3.673 1.00 0.00 C ATOM 503 C VAL A 32 8.411 2.088 -4.013 1.00 0.00 C ATOM 504 O VAL A 32 9.476 2.698 -3.923 1.00 0.00 O ATOM 505 CB VAL A 32 6.606 2.244 -2.311 1.00 0.00 C ATOM 506 CG1 VAL A 32 7.554 2.693 -1.211 1.00 0.00 C ATOM 507 CG2 VAL A 32 5.185 2.709 -2.028 1.00 0.00 C ATOM 0 H VAL A 32 5.431 1.797 -4.508 1.00 0.00 H new ATOM 0 HA VAL A 32 7.229 3.846 -3.606 1.00 0.00 H new ATOM 0 HB VAL A 32 6.600 1.154 -2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.201 2.317 -0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.552 2.302 -1.409 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.590 3.782 -1.183 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.863 2.327 -1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.154 3.799 -2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.518 2.335 -2.805 1.00 0.00 H new ATOM 517 N SER A 33 8.330 0.820 -4.407 1.00 0.00 N ATOM 518 CA SER A 33 9.513 0.047 -4.770 1.00 0.00 C ATOM 519 C SER A 33 10.049 0.450 -6.144 1.00 0.00 C ATOM 520 O SER A 33 10.991 -0.161 -6.648 1.00 0.00 O ATOM 521 CB SER A 33 9.186 -1.447 -4.756 1.00 0.00 C ATOM 522 OG SER A 33 9.939 -2.125 -3.766 1.00 0.00 O ATOM 0 H SER A 33 7.453 0.305 -4.483 1.00 0.00 H new ATOM 0 HA SER A 33 10.288 0.258 -4.033 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.122 -1.588 -4.567 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.396 -1.877 -5.735 1.00 0.00 H new ATOM 0 HG SER A 33 10.858 -1.785 -3.764 1.00 0.00 H new ATOM 528 N ALA A 34 9.449 1.473 -6.751 1.00 0.00 N ATOM 529 CA ALA A 34 9.879 1.933 -8.065 1.00 0.00 C ATOM 530 C ALA A 34 11.358 2.313 -8.070 1.00 0.00 C ATOM 531 O ALA A 34 11.971 2.424 -9.132 1.00 0.00 O ATOM 532 CB ALA A 34 9.032 3.117 -8.513 1.00 0.00 C ATOM 0 H ALA A 34 8.668 1.995 -6.354 1.00 0.00 H new ATOM 0 HA ALA A 34 9.743 1.109 -8.766 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.364 3.451 -9.496 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.986 2.816 -8.566 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.139 3.933 -7.798 1.00 0.00 H new ATOM 538 N LYS A 35 11.935 2.507 -6.885 1.00 0.00 N ATOM 539 CA LYS A 35 13.347 2.867 -6.777 1.00 0.00 C ATOM 540 C LYS A 35 14.193 1.673 -6.323 1.00 0.00 C ATOM 541 O LYS A 35 15.421 1.741 -6.322 1.00 0.00 O ATOM 542 CB LYS A 35 13.521 4.031 -5.803 1.00 0.00 C ATOM 543 CG LYS A 35 12.781 3.834 -4.493 1.00 0.00 C ATOM 544 CD LYS A 35 13.438 4.605 -3.359 1.00 0.00 C ATOM 545 CE LYS A 35 14.778 3.999 -2.969 1.00 0.00 C ATOM 546 NZ LYS A 35 15.452 4.790 -1.902 1.00 0.00 N ATOM 0 H LYS A 35 11.450 2.422 -5.992 1.00 0.00 H new ATOM 0 HA LYS A 35 13.692 3.170 -7.765 1.00 0.00 H new ATOM 0 HB2 LYS A 35 14.582 4.166 -5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.169 4.948 -6.277 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.747 4.161 -4.605 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.754 2.773 -4.245 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.582 5.643 -3.660 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.776 4.613 -2.493 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.628 2.976 -2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.423 3.948 -3.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.362 4.346 -1.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 15.618 5.759 -2.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 14.848 4.818 -1.056 1.00 0.00 H new ATOM 560 N THR A 36 13.533 0.580 -5.943 1.00 0.00 N ATOM 561 CA THR A 36 14.232 -0.621 -5.494 1.00 0.00 C ATOM 562 C THR A 36 13.238 -1.726 -5.150 1.00 0.00 C ATOM 563 O THR A 36 12.080 -1.453 -4.836 1.00 0.00 O ATOM 564 CB THR A 36 15.110 -0.306 -4.279 1.00 0.00 C ATOM 565 OG1 THR A 36 15.650 -1.496 -3.723 1.00 0.00 O ATOM 566 CG2 THR A 36 14.368 0.433 -3.184 1.00 0.00 C ATOM 0 H THR A 36 12.516 0.502 -5.937 1.00 0.00 H new ATOM 0 HA THR A 36 14.869 -0.968 -6.307 1.00 0.00 H new ATOM 0 HB THR A 36 15.904 0.341 -4.652 1.00 0.00 H new ATOM 0 HG1 THR A 36 15.631 -1.438 -2.745 1.00 0.00 H new ATOM 0 HG21 THR A 36 15.045 0.626 -2.352 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.993 1.379 -3.574 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.532 -0.174 -2.838 1.00 0.00 H new ATOM 574 N SER A 37 13.694 -2.974 -5.214 1.00 0.00 N ATOM 575 CA SER A 37 12.837 -4.121 -4.913 1.00 0.00 C ATOM 576 C SER A 37 12.931 -4.511 -3.437 1.00 0.00 C ATOM 577 O SER A 37 12.937 -5.692 -3.096 1.00 0.00 O ATOM 578 CB SER A 37 13.218 -5.314 -5.794 1.00 0.00 C ATOM 579 OG SER A 37 12.494 -6.477 -5.425 1.00 0.00 O ATOM 0 H SER A 37 14.650 -3.218 -5.471 1.00 0.00 H new ATOM 0 HA SER A 37 11.807 -3.833 -5.124 1.00 0.00 H new ATOM 0 HB2 SER A 37 13.020 -5.076 -6.839 1.00 0.00 H new ATOM 0 HB3 SER A 37 14.288 -5.506 -5.708 1.00 0.00 H new ATOM 0 HG SER A 37 12.603 -6.640 -4.465 1.00 0.00 H new ATOM 585 N ASN A 38 12.984 -3.509 -2.566 1.00 0.00 N ATOM 586 CA ASN A 38 13.053 -3.754 -1.132 1.00 0.00 C ATOM 587 C ASN A 38 11.672 -4.093 -0.582 1.00 0.00 C ATOM 588 O ASN A 38 10.861 -3.204 -0.327 1.00 0.00 O ATOM 589 CB ASN A 38 13.631 -2.544 -0.399 1.00 0.00 C ATOM 590 CG ASN A 38 15.100 -2.716 -0.083 1.00 0.00 C ATOM 591 OD1 ASN A 38 15.951 -2.010 -0.623 1.00 0.00 O ATOM 592 ND2 ASN A 38 15.400 -3.662 0.798 1.00 0.00 N ATOM 0 H ASN A 38 12.980 -2.523 -2.828 1.00 0.00 H new ATOM 0 HA ASN A 38 13.715 -4.604 -0.966 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.495 -1.652 -1.010 1.00 0.00 H new ATOM 0 HB3 ASN A 38 13.078 -2.384 0.527 1.00 0.00 H new ATOM 0 HD21 ASN A 38 16.373 -3.830 1.055 1.00 0.00 H new ATOM 0 HD22 ASN A 38 14.658 -4.221 1.218 1.00 0.00 H new ATOM 599 N GLU A 39 11.407 -5.380 -0.402 1.00 0.00 N ATOM 600 CA GLU A 39 10.118 -5.829 0.112 1.00 0.00 C ATOM 601 C GLU A 39 9.838 -5.239 1.491 1.00 0.00 C ATOM 602 O GLU A 39 8.682 -5.050 1.872 1.00 0.00 O ATOM 603 CB GLU A 39 10.077 -7.356 0.173 1.00 0.00 C ATOM 604 CG GLU A 39 10.164 -8.019 -1.192 1.00 0.00 C ATOM 605 CD GLU A 39 10.470 -9.502 -1.107 1.00 0.00 C ATOM 606 OE1 GLU A 39 9.514 -10.298 -0.999 1.00 0.00 O ATOM 607 OE2 GLU A 39 11.663 -9.865 -1.151 1.00 0.00 O ATOM 0 H GLU A 39 12.066 -6.132 -0.604 1.00 0.00 H new ATOM 0 HA GLU A 39 9.342 -5.479 -0.569 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.901 -7.709 0.793 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.154 -7.668 0.662 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.221 -7.877 -1.720 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.937 -7.526 -1.781 1.00 0.00 H new ATOM 614 N GLU A 40 10.900 -4.944 2.232 1.00 0.00 N ATOM 615 CA GLU A 40 10.765 -4.368 3.563 1.00 0.00 C ATOM 616 C GLU A 40 10.574 -2.859 3.480 1.00 0.00 C ATOM 617 O GLU A 40 9.998 -2.243 4.377 1.00 0.00 O ATOM 618 CB GLU A 40 11.999 -4.683 4.407 1.00 0.00 C ATOM 619 CG GLU A 40 12.188 -6.166 4.682 1.00 0.00 C ATOM 620 CD GLU A 40 11.402 -6.639 5.890 1.00 0.00 C ATOM 621 OE1 GLU A 40 11.790 -6.289 7.024 1.00 0.00 O ATOM 622 OE2 GLU A 40 10.400 -7.363 5.702 1.00 0.00 O ATOM 0 H GLU A 40 11.863 -5.094 1.933 1.00 0.00 H new ATOM 0 HA GLU A 40 9.887 -4.809 4.034 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.884 -4.301 3.898 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.924 -4.153 5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.879 -6.737 3.806 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.247 -6.371 4.839 1.00 0.00 H new ATOM 629 N ALA A 41 11.063 -2.272 2.397 1.00 0.00 N ATOM 630 CA ALA A 41 10.956 -0.837 2.186 1.00 0.00 C ATOM 631 C ALA A 41 9.547 -0.437 1.776 1.00 0.00 C ATOM 632 O ALA A 41 8.821 0.200 2.538 1.00 0.00 O ATOM 633 CB ALA A 41 11.933 -0.399 1.117 1.00 0.00 C ATOM 0 H ALA A 41 11.540 -2.772 1.647 1.00 0.00 H new ATOM 0 HA ALA A 41 11.191 -0.344 3.129 1.00 0.00 H new ATOM 0 HB1 ALA A 41 11.847 0.677 0.964 1.00 0.00 H new ATOM 0 HB2 ALA A 41 12.948 -0.641 1.431 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.708 -0.917 0.185 1.00 0.00 H new ATOM 639 N ALA A 42 9.175 -0.806 0.557 1.00 0.00 N ATOM 640 CA ALA A 42 7.862 -0.481 0.030 1.00 0.00 C ATOM 641 C ALA A 42 6.774 -1.081 0.905 1.00 0.00 C ATOM 642 O ALA A 42 5.683 -0.521 1.023 1.00 0.00 O ATOM 643 CB ALA A 42 7.736 -0.953 -1.410 1.00 0.00 C ATOM 0 H ALA A 42 9.768 -1.332 -0.085 1.00 0.00 H new ATOM 0 HA ALA A 42 7.739 0.602 0.040 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.746 -0.702 -1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.494 -0.463 -2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.878 -2.033 -1.453 1.00 0.00 H new ATOM 649 N GLY A 43 7.086 -2.205 1.547 1.00 0.00 N ATOM 650 CA GLY A 43 6.129 -2.833 2.430 1.00 0.00 C ATOM 651 C GLY A 43 5.840 -1.964 3.631 1.00 0.00 C ATOM 652 O GLY A 43 4.763 -2.041 4.222 1.00 0.00 O ATOM 0 H GLY A 43 7.982 -2.687 1.469 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.204 -3.028 1.888 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.514 -3.798 2.760 1.00 0.00 H new ATOM 656 N LYS A 44 6.804 -1.117 3.986 1.00 0.00 N ATOM 657 CA LYS A 44 6.637 -0.211 5.117 1.00 0.00 C ATOM 658 C LYS A 44 5.669 0.908 4.757 1.00 0.00 C ATOM 659 O LYS A 44 4.663 1.123 5.436 1.00 0.00 O ATOM 660 CB LYS A 44 7.980 0.388 5.539 1.00 0.00 C ATOM 661 CG LYS A 44 8.739 -0.452 6.551 1.00 0.00 C ATOM 662 CD LYS A 44 7.934 -0.675 7.820 1.00 0.00 C ATOM 663 CE LYS A 44 7.965 -2.136 8.235 1.00 0.00 C ATOM 664 NZ LYS A 44 7.046 -2.415 9.370 1.00 0.00 N ATOM 0 H LYS A 44 7.703 -1.040 3.510 1.00 0.00 H new ATOM 0 HA LYS A 44 6.233 -0.784 5.951 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.601 0.521 4.653 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.808 1.379 5.960 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.991 -1.415 6.107 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.679 0.040 6.799 1.00 0.00 H new ATOM 0 HD2 LYS A 44 8.335 -0.057 8.623 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.903 -0.360 7.661 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.690 -2.760 7.385 1.00 0.00 H new ATOM 0 HE3 LYS A 44 8.982 -2.411 8.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.099 -3.423 9.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.323 -1.840 10.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.072 -2.178 9.094 1.00 0.00 H new ATOM 678 N ILE A 45 5.986 1.616 3.680 1.00 0.00 N ATOM 679 CA ILE A 45 5.163 2.722 3.207 1.00 0.00 C ATOM 680 C ILE A 45 3.795 2.230 2.753 1.00 0.00 C ATOM 681 O ILE A 45 2.779 2.881 2.994 1.00 0.00 O ATOM 682 CB ILE A 45 5.849 3.448 2.038 1.00 0.00 C ATOM 683 CG1 ILE A 45 7.193 4.025 2.486 1.00 0.00 C ATOM 684 CG2 ILE A 45 4.956 4.540 1.464 1.00 0.00 C ATOM 685 CD1 ILE A 45 8.020 4.531 1.339 1.00 0.00 C ATOM 0 H ILE A 45 6.816 1.441 3.113 1.00 0.00 H new ATOM 0 HA ILE A 45 5.035 3.414 4.040 1.00 0.00 H new ATOM 0 HB ILE A 45 6.029 2.720 1.247 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.017 4.840 3.189 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.753 3.258 3.021 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.470 5.034 0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.028 4.098 1.101 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.730 5.271 2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.962 4.929 1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.223 3.713 0.648 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.476 5.319 0.818 1.00 0.00 H new ATOM 697 N THR A 46 3.773 1.074 2.096 1.00 0.00 N ATOM 698 CA THR A 46 2.522 0.501 1.617 1.00 0.00 C ATOM 699 C THR A 46 1.521 0.390 2.762 1.00 0.00 C ATOM 700 O THR A 46 0.335 0.665 2.588 1.00 0.00 O ATOM 701 CB THR A 46 2.759 -0.873 0.987 1.00 0.00 C ATOM 702 OG1 THR A 46 3.578 -0.762 -0.164 1.00 0.00 O ATOM 703 CG2 THR A 46 1.482 -1.573 0.572 1.00 0.00 C ATOM 0 H THR A 46 4.603 0.519 1.885 1.00 0.00 H new ATOM 0 HA THR A 46 2.113 1.162 0.853 1.00 0.00 H new ATOM 0 HB THR A 46 3.243 -1.465 1.764 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.513 -0.922 0.083 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.724 -2.541 0.133 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.847 -1.719 1.446 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.955 -0.963 -0.162 1.00 0.00 H new ATOM 711 N GLY A 47 2.013 -0.003 3.934 1.00 0.00 N ATOM 712 CA GLY A 47 1.151 -0.129 5.090 1.00 0.00 C ATOM 713 C GLY A 47 0.552 1.202 5.493 1.00 0.00 C ATOM 714 O GLY A 47 -0.576 1.263 5.983 1.00 0.00 O ATOM 0 H GLY A 47 2.992 -0.235 4.101 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.351 -0.836 4.871 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.720 -0.539 5.924 1.00 0.00 H new ATOM 718 N MET A 48 1.308 2.275 5.277 1.00 0.00 N ATOM 719 CA MET A 48 0.843 3.614 5.608 1.00 0.00 C ATOM 720 C MET A 48 -0.237 4.050 4.631 1.00 0.00 C ATOM 721 O MET A 48 -1.320 4.476 5.031 1.00 0.00 O ATOM 722 CB MET A 48 2.009 4.602 5.581 1.00 0.00 C ATOM 723 CG MET A 48 3.188 4.164 6.433 1.00 0.00 C ATOM 724 SD MET A 48 3.355 5.123 7.945 1.00 0.00 S ATOM 725 CE MET A 48 5.118 5.437 7.943 1.00 0.00 C ATOM 0 H MET A 48 2.245 2.241 4.874 1.00 0.00 H new ATOM 0 HA MET A 48 0.422 3.599 6.613 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.342 4.732 4.551 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.660 5.575 5.928 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.074 3.110 6.688 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.104 4.253 5.849 1.00 0.00 H new ATOM 0 HE1 MET A 48 5.567 4.998 8.834 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.566 4.992 7.054 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.296 6.512 7.940 1.00 0.00 H new ATOM 735 N ILE A 49 0.063 3.920 3.342 1.00 0.00 N ATOM 736 CA ILE A 49 -0.884 4.276 2.296 1.00 0.00 C ATOM 737 C ILE A 49 -1.990 3.228 2.190 1.00 0.00 C ATOM 738 O ILE A 49 -2.907 3.355 1.378 1.00 0.00 O ATOM 739 CB ILE A 49 -0.188 4.407 0.930 1.00 0.00 C ATOM 740 CG1 ILE A 49 1.087 5.245 1.054 1.00 0.00 C ATOM 741 CG2 ILE A 49 -1.137 5.022 -0.082 1.00 0.00 C ATOM 742 CD1 ILE A 49 2.183 4.816 0.106 1.00 0.00 C ATOM 0 H ILE A 49 0.957 3.570 2.999 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.316 5.239 2.568 1.00 0.00 H new ATOM 0 HB ILE A 49 0.093 3.412 0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.845 6.291 0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.457 5.181 2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.634 5.110 -1.045 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.017 4.387 -0.188 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.442 6.011 0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.057 5.452 0.248 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.453 3.779 0.307 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.831 4.907 -0.922 1.00 0.00 H new ATOM 754 N LEU A 50 -1.903 2.200 3.032 1.00 0.00 N ATOM 755 CA LEU A 50 -2.897 1.139 3.050 1.00 0.00 C ATOM 756 C LEU A 50 -4.177 1.608 3.744 1.00 0.00 C ATOM 757 O LEU A 50 -5.098 0.822 3.959 1.00 0.00 O ATOM 758 CB LEU A 50 -2.338 -0.096 3.761 1.00 0.00 C ATOM 759 CG LEU A 50 -2.557 -1.426 3.035 1.00 0.00 C ATOM 760 CD1 LEU A 50 -4.014 -1.846 3.129 1.00 0.00 C ATOM 761 CD2 LEU A 50 -2.125 -1.324 1.579 1.00 0.00 C ATOM 0 H LEU A 50 -1.151 2.083 3.711 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.138 0.878 2.020 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.268 0.045 3.911 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.792 -0.162 4.750 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.944 -2.186 3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.154 -2.793 2.608 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.292 -1.963 4.176 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.643 -1.083 2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.290 -2.280 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.709 -0.551 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.067 -1.068 1.531 1.00 0.00 H new ATOM 773 N ASP A 51 -4.232 2.894 4.085 1.00 0.00 N ATOM 774 CA ASP A 51 -5.399 3.456 4.741 1.00 0.00 C ATOM 775 C ASP A 51 -6.544 3.624 3.744 1.00 0.00 C ATOM 776 O ASP A 51 -7.711 3.669 4.132 1.00 0.00 O ATOM 777 CB ASP A 51 -5.048 4.801 5.385 1.00 0.00 C ATOM 778 CG ASP A 51 -5.268 4.800 6.885 1.00 0.00 C ATOM 779 OD1 ASP A 51 -5.042 3.746 7.517 1.00 0.00 O ATOM 780 OD2 ASP A 51 -5.665 5.853 7.429 1.00 0.00 O ATOM 0 H ASP A 51 -3.480 3.562 3.916 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.723 2.769 5.523 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.006 5.041 5.174 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -5.654 5.586 4.932 1.00 0.00 H new ATOM 785 N LEU A 52 -6.208 3.702 2.454 1.00 0.00 N ATOM 786 CA LEU A 52 -7.224 3.851 1.417 1.00 0.00 C ATOM 787 C LEU A 52 -7.729 2.481 0.970 1.00 0.00 C ATOM 788 O LEU A 52 -6.937 1.611 0.615 1.00 0.00 O ATOM 789 CB LEU A 52 -6.658 4.617 0.220 1.00 0.00 C ATOM 790 CG LEU A 52 -6.427 6.113 0.454 1.00 0.00 C ATOM 791 CD1 LEU A 52 -5.592 6.340 1.706 1.00 0.00 C ATOM 792 CD2 LEU A 52 -5.752 6.739 -0.757 1.00 0.00 C ATOM 0 H LEU A 52 -5.249 3.665 2.108 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.059 4.417 1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.711 4.160 -0.069 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.339 4.498 -0.622 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.395 6.592 0.599 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.440 7.409 1.853 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.111 5.925 2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.626 5.848 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.594 7.802 -0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.791 6.254 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.386 6.610 -1.634 1.00 0.00 H new ATOM 804 N PRO A 53 -9.059 2.263 0.984 1.00 0.00 N ATOM 805 CA PRO A 53 -9.643 0.982 0.582 1.00 0.00 C ATOM 806 C PRO A 53 -9.073 0.472 -0.741 1.00 0.00 C ATOM 807 O PRO A 53 -8.379 1.200 -1.450 1.00 0.00 O ATOM 808 CB PRO A 53 -11.136 1.292 0.444 1.00 0.00 C ATOM 809 CG PRO A 53 -11.377 2.464 1.336 1.00 0.00 C ATOM 810 CD PRO A 53 -10.085 3.239 1.400 1.00 0.00 C ATOM 0 HA PRO A 53 -9.428 0.194 1.304 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.396 1.523 -0.589 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -11.745 0.438 0.742 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.182 3.087 0.946 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.680 2.137 2.330 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.105 4.103 0.736 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.894 3.614 2.406 1.00 0.00 H new ATOM 818 N PRO A 54 -9.352 -0.795 -1.085 1.00 0.00 N ATOM 819 CA PRO A 54 -8.861 -1.408 -2.324 1.00 0.00 C ATOM 820 C PRO A 54 -9.099 -0.532 -3.551 1.00 0.00 C ATOM 821 O PRO A 54 -8.158 -0.136 -4.230 1.00 0.00 O ATOM 822 CB PRO A 54 -9.672 -2.700 -2.411 1.00 0.00 C ATOM 823 CG PRO A 54 -9.952 -3.046 -0.990 1.00 0.00 C ATOM 824 CD PRO A 54 -10.167 -1.734 -0.292 1.00 0.00 C ATOM 0 HA PRO A 54 -7.782 -1.562 -2.307 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.593 -2.556 -2.976 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -9.112 -3.490 -2.911 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -10.832 -3.683 -0.908 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.120 -3.594 -0.548 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.219 -1.449 -0.286 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.841 -1.772 0.747 1.00 0.00 H new ATOM 832 N GLN A 55 -10.357 -0.228 -3.831 1.00 0.00 N ATOM 833 CA GLN A 55 -10.690 0.608 -4.981 1.00 0.00 C ATOM 834 C GLN A 55 -10.397 2.082 -4.704 1.00 0.00 C ATOM 835 O GLN A 55 -9.937 2.807 -5.587 1.00 0.00 O ATOM 836 CB GLN A 55 -12.156 0.435 -5.374 1.00 0.00 C ATOM 837 CG GLN A 55 -12.634 -1.008 -5.345 1.00 0.00 C ATOM 838 CD GLN A 55 -13.175 -1.472 -6.686 1.00 0.00 C ATOM 839 OE1 GLN A 55 -14.387 -1.591 -6.870 1.00 0.00 O ATOM 840 NE2 GLN A 55 -12.280 -1.739 -7.630 1.00 0.00 N ATOM 0 H GLN A 55 -11.159 -0.543 -3.285 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.061 0.283 -5.810 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.775 1.026 -4.700 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.303 0.836 -6.377 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.808 -1.654 -5.047 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.411 -1.114 -4.588 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -11.285 -1.627 -7.436 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -12.588 -2.056 -8.549 1.00 0.00 H new ATOM 849 N GLU A 56 -10.675 2.524 -3.479 1.00 0.00 N ATOM 850 CA GLU A 56 -10.453 3.917 -3.096 1.00 0.00 C ATOM 851 C GLU A 56 -8.976 4.294 -3.190 1.00 0.00 C ATOM 852 O GLU A 56 -8.632 5.475 -3.236 1.00 0.00 O ATOM 853 CB GLU A 56 -10.964 4.174 -1.676 1.00 0.00 C ATOM 854 CG GLU A 56 -12.267 4.953 -1.632 1.00 0.00 C ATOM 855 CD GLU A 56 -12.046 6.452 -1.670 1.00 0.00 C ATOM 856 OE1 GLU A 56 -11.396 6.979 -0.742 1.00 0.00 O ATOM 857 OE2 GLU A 56 -12.522 7.099 -2.626 1.00 0.00 O ATOM 0 H GLU A 56 -11.054 1.938 -2.735 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.010 4.540 -3.795 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -11.104 3.219 -1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.204 4.721 -1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.891 4.659 -2.476 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.813 4.692 -0.725 1.00 0.00 H new ATOM 864 N VAL A 57 -8.104 3.295 -3.217 1.00 0.00 N ATOM 865 CA VAL A 57 -6.676 3.551 -3.308 1.00 0.00 C ATOM 866 C VAL A 57 -6.250 3.722 -4.765 1.00 0.00 C ATOM 867 O VAL A 57 -5.258 4.389 -5.051 1.00 0.00 O ATOM 868 CB VAL A 57 -5.850 2.421 -2.646 1.00 0.00 C ATOM 869 CG1 VAL A 57 -5.962 1.124 -3.430 1.00 0.00 C ATOM 870 CG2 VAL A 57 -4.392 2.838 -2.495 1.00 0.00 C ATOM 0 H VAL A 57 -8.359 2.308 -3.177 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.478 4.477 -2.768 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.261 2.244 -1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.371 0.350 -2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.006 0.812 -3.471 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.590 1.278 -4.443 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.829 2.030 -2.028 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.971 3.053 -3.477 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.331 3.730 -1.872 1.00 0.00 H new ATOM 880 N PHE A 58 -7.004 3.106 -5.678 1.00 0.00 N ATOM 881 CA PHE A 58 -6.699 3.175 -7.110 1.00 0.00 C ATOM 882 C PHE A 58 -6.403 4.610 -7.575 1.00 0.00 C ATOM 883 O PHE A 58 -5.353 4.870 -8.166 1.00 0.00 O ATOM 884 CB PHE A 58 -7.852 2.603 -7.962 1.00 0.00 C ATOM 885 CG PHE A 58 -8.066 1.117 -7.853 1.00 0.00 C ATOM 886 CD1 PHE A 58 -7.464 0.376 -6.854 1.00 0.00 C ATOM 887 CD2 PHE A 58 -8.883 0.463 -8.767 1.00 0.00 C ATOM 888 CE1 PHE A 58 -7.668 -0.988 -6.766 1.00 0.00 C ATOM 889 CE2 PHE A 58 -9.089 -0.897 -8.684 1.00 0.00 C ATOM 890 CZ PHE A 58 -8.483 -1.622 -7.683 1.00 0.00 C ATOM 0 H PHE A 58 -7.831 2.553 -5.452 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.804 2.570 -7.254 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -8.775 3.107 -7.677 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.664 2.849 -9.007 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -6.827 0.868 -6.134 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -9.363 1.028 -9.553 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.191 -1.557 -5.982 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -9.724 -1.393 -9.403 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.645 -2.688 -7.615 1.00 0.00 H new ATOM 900 N PRO A 59 -7.331 5.560 -7.338 1.00 0.00 N ATOM 901 CA PRO A 59 -7.165 6.961 -7.765 1.00 0.00 C ATOM 902 C PRO A 59 -5.930 7.627 -7.175 1.00 0.00 C ATOM 903 O PRO A 59 -5.392 8.580 -7.742 1.00 0.00 O ATOM 904 CB PRO A 59 -8.429 7.650 -7.247 1.00 0.00 C ATOM 905 CG PRO A 59 -9.419 6.553 -7.064 1.00 0.00 C ATOM 906 CD PRO A 59 -8.621 5.352 -6.656 1.00 0.00 C ATOM 0 HA PRO A 59 -7.030 7.028 -8.845 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -8.238 8.170 -6.308 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -8.791 8.394 -7.956 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -10.154 6.812 -6.302 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -9.969 6.363 -7.986 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.501 5.297 -5.574 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -9.099 4.424 -6.971 1.00 0.00 H new ATOM 914 N LEU A 60 -5.486 7.127 -6.035 1.00 0.00 N ATOM 915 CA LEU A 60 -4.317 7.679 -5.369 1.00 0.00 C ATOM 916 C LEU A 60 -3.041 7.074 -5.937 1.00 0.00 C ATOM 917 O LEU A 60 -2.099 7.789 -6.286 1.00 0.00 O ATOM 918 CB LEU A 60 -4.411 7.408 -3.862 1.00 0.00 C ATOM 919 CG LEU A 60 -3.095 7.528 -3.081 1.00 0.00 C ATOM 920 CD1 LEU A 60 -3.149 8.691 -2.111 1.00 0.00 C ATOM 921 CD2 LEU A 60 -2.787 6.237 -2.334 1.00 0.00 C ATOM 0 H LEU A 60 -5.917 6.340 -5.550 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.287 8.755 -5.540 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.133 8.102 -3.431 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.808 6.404 -3.716 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.296 7.711 -3.800 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.206 8.757 -1.569 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.316 9.617 -2.662 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.964 8.537 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.850 6.347 -1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.593 6.022 -1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.698 5.417 -3.046 1.00 0.00 H new ATOM 933 N LEU A 61 -3.019 5.752 -6.024 1.00 0.00 N ATOM 934 CA LEU A 61 -1.855 5.037 -6.530 1.00 0.00 C ATOM 935 C LEU A 61 -1.569 5.354 -8.000 1.00 0.00 C ATOM 936 O LEU A 61 -0.535 4.945 -8.531 1.00 0.00 O ATOM 937 CB LEU A 61 -2.036 3.524 -6.376 1.00 0.00 C ATOM 938 CG LEU A 61 -3.416 2.979 -6.757 1.00 0.00 C ATOM 939 CD1 LEU A 61 -3.432 2.515 -8.204 1.00 0.00 C ATOM 940 CD2 LEU A 61 -3.811 1.839 -5.825 1.00 0.00 C ATOM 0 H LEU A 61 -3.796 5.151 -5.750 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.006 5.374 -5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.286 3.023 -6.988 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.833 3.256 -5.339 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.144 3.783 -6.651 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.422 2.132 -8.452 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.193 3.354 -8.858 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.693 1.726 -8.341 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.794 1.462 -6.108 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.078 1.036 -5.902 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.844 2.203 -4.798 1.00 0.00 H new ATOM 952 N GLU A 62 -2.475 6.066 -8.664 1.00 0.00 N ATOM 953 CA GLU A 62 -2.281 6.397 -10.072 1.00 0.00 C ATOM 954 C GLU A 62 -1.883 7.857 -10.262 1.00 0.00 C ATOM 955 O GLU A 62 -1.489 8.256 -11.358 1.00 0.00 O ATOM 956 CB GLU A 62 -3.546 6.096 -10.877 1.00 0.00 C ATOM 957 CG GLU A 62 -4.799 6.779 -10.350 1.00 0.00 C ATOM 958 CD GLU A 62 -5.263 7.917 -11.240 1.00 0.00 C ATOM 959 OE1 GLU A 62 -5.862 7.634 -12.299 1.00 0.00 O ATOM 960 OE2 GLU A 62 -5.029 9.090 -10.880 1.00 0.00 O ATOM 0 H GLU A 62 -3.340 6.421 -8.256 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.465 5.774 -10.438 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.387 6.402 -11.911 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.710 5.018 -10.886 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.599 6.044 -10.261 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.605 7.162 -9.348 1.00 0.00 H new ATOM 967 N SER A 63 -1.990 8.656 -9.204 1.00 0.00 N ATOM 968 CA SER A 63 -1.638 10.068 -9.290 1.00 0.00 C ATOM 969 C SER A 63 -0.346 10.359 -8.534 1.00 0.00 C ATOM 970 O SER A 63 -0.222 10.058 -7.346 1.00 0.00 O ATOM 971 CB SER A 63 -2.780 10.931 -8.753 1.00 0.00 C ATOM 972 OG SER A 63 -2.365 12.275 -8.559 1.00 0.00 O ATOM 0 H SER A 63 -2.315 8.353 -8.286 1.00 0.00 H new ATOM 0 HA SER A 63 -1.475 10.315 -10.339 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.618 10.904 -9.450 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.137 10.519 -7.809 1.00 0.00 H new ATOM 0 HG SER A 63 -3.116 12.803 -8.217 1.00 0.00 H new ATOM 978 N ASP A 64 0.615 10.942 -9.243 1.00 0.00 N ATOM 979 CA ASP A 64 1.911 11.276 -8.665 1.00 0.00 C ATOM 980 C ASP A 64 1.762 12.225 -7.479 1.00 0.00 C ATOM 981 O ASP A 64 2.333 11.995 -6.413 1.00 0.00 O ATOM 982 CB ASP A 64 2.816 11.898 -9.732 1.00 0.00 C ATOM 983 CG ASP A 64 4.103 11.119 -9.921 1.00 0.00 C ATOM 984 OD1 ASP A 64 4.990 11.216 -9.047 1.00 0.00 O ATOM 985 OD2 ASP A 64 4.224 10.412 -10.944 1.00 0.00 O ATOM 0 H ASP A 64 0.519 11.194 -10.227 1.00 0.00 H new ATOM 0 HA ASP A 64 2.367 10.355 -8.301 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.279 11.943 -10.679 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.053 12.924 -9.451 1.00 0.00 H new ATOM 990 N GLU A 65 0.992 13.292 -7.667 1.00 0.00 N ATOM 991 CA GLU A 65 0.775 14.272 -6.606 1.00 0.00 C ATOM 992 C GLU A 65 0.092 13.629 -5.403 1.00 0.00 C ATOM 993 O GLU A 65 0.490 13.845 -4.259 1.00 0.00 O ATOM 994 CB GLU A 65 -0.066 15.442 -7.120 1.00 0.00 C ATOM 995 CG GLU A 65 0.727 16.439 -7.951 1.00 0.00 C ATOM 996 CD GLU A 65 -0.001 16.860 -9.212 1.00 0.00 C ATOM 997 OE1 GLU A 65 -1.204 17.185 -9.124 1.00 0.00 O ATOM 998 OE2 GLU A 65 0.631 16.860 -10.290 1.00 0.00 O ATOM 0 H GLU A 65 0.509 13.501 -8.541 1.00 0.00 H new ATOM 0 HA GLU A 65 1.749 14.648 -6.292 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.888 15.052 -7.721 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.510 15.961 -6.271 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.939 17.321 -7.347 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.687 15.999 -8.221 1.00 0.00 H new ATOM 1005 N LEU A 66 -0.939 12.841 -5.675 1.00 0.00 N ATOM 1006 CA LEU A 66 -1.684 12.162 -4.623 1.00 0.00 C ATOM 1007 C LEU A 66 -0.784 11.216 -3.833 1.00 0.00 C ATOM 1008 O LEU A 66 -1.010 10.974 -2.646 1.00 0.00 O ATOM 1009 CB LEU A 66 -2.852 11.390 -5.237 1.00 0.00 C ATOM 1010 CG LEU A 66 -4.244 11.906 -4.872 1.00 0.00 C ATOM 1011 CD1 LEU A 66 -4.622 11.453 -3.471 1.00 0.00 C ATOM 1012 CD2 LEU A 66 -4.307 13.424 -4.986 1.00 0.00 C ATOM 0 H LEU A 66 -1.280 12.656 -6.618 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.068 12.913 -3.932 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.749 11.411 -6.322 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.778 10.347 -4.929 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.963 11.488 -5.577 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.615 11.827 -3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.623 10.364 -3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.899 11.843 -2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.307 13.768 -4.721 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.579 13.870 -4.309 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.080 13.722 -6.010 1.00 0.00 H new ATOM 1024 N PHE A 67 0.235 10.681 -4.499 1.00 0.00 N ATOM 1025 CA PHE A 67 1.166 9.759 -3.857 1.00 0.00 C ATOM 1026 C PHE A 67 2.172 10.513 -2.998 1.00 0.00 C ATOM 1027 O PHE A 67 2.366 10.186 -1.833 1.00 0.00 O ATOM 1028 CB PHE A 67 1.907 8.918 -4.900 1.00 0.00 C ATOM 1029 CG PHE A 67 2.239 7.531 -4.422 1.00 0.00 C ATOM 1030 CD1 PHE A 67 1.286 6.526 -4.467 1.00 0.00 C ATOM 1031 CD2 PHE A 67 3.502 7.229 -3.924 1.00 0.00 C ATOM 1032 CE1 PHE A 67 1.581 5.251 -4.026 1.00 0.00 C ATOM 1033 CE2 PHE A 67 3.800 5.956 -3.480 1.00 0.00 C ATOM 1034 CZ PHE A 67 2.840 4.965 -3.535 1.00 0.00 C ATOM 0 H PHE A 67 0.437 10.870 -5.481 1.00 0.00 H new ATOM 0 HA PHE A 67 0.584 9.095 -3.217 1.00 0.00 H new ATOM 0 HB2 PHE A 67 1.296 8.848 -5.800 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.829 9.428 -5.179 1.00 0.00 H new ATOM 0 HD1 PHE A 67 0.300 6.743 -4.852 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.258 7.999 -3.884 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.828 4.478 -4.065 1.00 0.00 H new ATOM 0 HE2 PHE A 67 4.783 5.736 -3.090 1.00 0.00 H new ATOM 0 HZ PHE A 67 3.073 3.967 -3.194 1.00 0.00 H new ATOM 1044 N GLU A 68 2.812 11.519 -3.586 1.00 0.00 N ATOM 1045 CA GLU A 68 3.811 12.317 -2.877 1.00 0.00 C ATOM 1046 C GLU A 68 3.353 12.687 -1.469 1.00 0.00 C ATOM 1047 O GLU A 68 4.091 12.500 -0.506 1.00 0.00 O ATOM 1048 CB GLU A 68 4.138 13.584 -3.669 1.00 0.00 C ATOM 1049 CG GLU A 68 5.104 13.348 -4.819 1.00 0.00 C ATOM 1050 CD GLU A 68 5.354 14.598 -5.639 1.00 0.00 C ATOM 1051 OE1 GLU A 68 4.403 15.085 -6.288 1.00 0.00 O ATOM 1052 OE2 GLU A 68 6.501 15.090 -5.634 1.00 0.00 O ATOM 0 H GLU A 68 2.657 11.803 -4.553 1.00 0.00 H new ATOM 0 HA GLU A 68 4.708 11.705 -2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.213 14.006 -4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.564 14.325 -2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.052 12.983 -4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.707 12.567 -5.467 1.00 0.00 H new ATOM 1059 N GLN A 69 2.135 13.215 -1.358 1.00 0.00 N ATOM 1060 CA GLN A 69 1.585 13.617 -0.062 1.00 0.00 C ATOM 1061 C GLN A 69 1.505 12.432 0.901 1.00 0.00 C ATOM 1062 O GLN A 69 2.112 12.446 1.973 1.00 0.00 O ATOM 1063 CB GLN A 69 0.196 14.233 -0.247 1.00 0.00 C ATOM 1064 CG GLN A 69 0.154 15.733 0.000 1.00 0.00 C ATOM 1065 CD GLN A 69 -0.444 16.081 1.349 1.00 0.00 C ATOM 1066 OE1 GLN A 69 -0.119 15.464 2.365 1.00 0.00 O ATOM 1067 NE2 GLN A 69 -1.325 17.077 1.368 1.00 0.00 N ATOM 0 H GLN A 69 1.510 13.375 -2.148 1.00 0.00 H new ATOM 0 HA GLN A 69 2.256 14.360 0.370 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.149 14.031 -1.261 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.502 13.742 0.431 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.165 16.137 -0.061 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.429 16.212 -0.787 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.566 17.561 0.503 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.760 17.356 2.247 1.00 0.00 H new ATOM 1076 N HIS A 70 0.743 11.414 0.515 1.00 0.00 N ATOM 1077 CA HIS A 70 0.576 10.233 1.356 1.00 0.00 C ATOM 1078 C HIS A 70 1.918 9.536 1.550 1.00 0.00 C ATOM 1079 O HIS A 70 2.338 9.280 2.680 1.00 0.00 O ATOM 1080 CB HIS A 70 -0.440 9.269 0.736 1.00 0.00 C ATOM 1081 CG HIS A 70 -1.781 9.297 1.408 1.00 0.00 C ATOM 1082 ND1 HIS A 70 -2.043 8.661 2.604 1.00 0.00 N ATOM 1083 CD2 HIS A 70 -2.941 9.894 1.044 1.00 0.00 C ATOM 1084 CE1 HIS A 70 -3.304 8.865 2.947 1.00 0.00 C ATOM 1085 NE2 HIS A 70 -3.870 9.611 2.016 1.00 0.00 N ATOM 0 H HIS A 70 0.234 11.382 -0.368 1.00 0.00 H new ATOM 0 HA HIS A 70 0.199 10.549 2.329 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.566 9.515 -0.318 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.041 8.256 0.781 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -3.105 10.484 0.154 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.787 8.487 3.836 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.840 9.926 2.018 1.00 0.00 H new ATOM 1093 N TYR A 71 2.595 9.244 0.447 1.00 0.00 N ATOM 1094 CA TYR A 71 3.896 8.595 0.501 1.00 0.00 C ATOM 1095 C TYR A 71 4.934 9.508 1.167 1.00 0.00 C ATOM 1096 O TYR A 71 6.025 9.060 1.515 1.00 0.00 O ATOM 1097 CB TYR A 71 4.337 8.188 -0.914 1.00 0.00 C ATOM 1098 CG TYR A 71 5.835 8.119 -1.121 1.00 0.00 C ATOM 1099 CD1 TYR A 71 6.565 7.015 -0.701 1.00 0.00 C ATOM 1100 CD2 TYR A 71 6.515 9.159 -1.742 1.00 0.00 C ATOM 1101 CE1 TYR A 71 7.931 6.950 -0.895 1.00 0.00 C ATOM 1102 CE2 TYR A 71 7.881 9.099 -1.942 1.00 0.00 C ATOM 1103 CZ TYR A 71 8.586 7.994 -1.516 1.00 0.00 C ATOM 1104 OH TYR A 71 9.946 7.934 -1.717 1.00 0.00 O ATOM 0 H TYR A 71 2.263 9.447 -0.496 1.00 0.00 H new ATOM 0 HA TYR A 71 3.816 7.694 1.109 1.00 0.00 H new ATOM 0 HB2 TYR A 71 3.908 7.213 -1.146 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.919 8.898 -1.627 1.00 0.00 H new ATOM 0 HD1 TYR A 71 6.057 6.195 -0.215 1.00 0.00 H new ATOM 0 HD2 TYR A 71 5.967 10.029 -2.074 1.00 0.00 H new ATOM 0 HE1 TYR A 71 8.485 6.085 -0.562 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.394 9.915 -2.430 1.00 0.00 H new ATOM 0 HH TYR A 71 10.246 8.751 -2.168 1.00 0.00 H new ATOM 1114 N LYS A 72 4.589 10.789 1.349 1.00 0.00 N ATOM 1115 CA LYS A 72 5.503 11.739 1.984 1.00 0.00 C ATOM 1116 C LYS A 72 5.835 11.292 3.402 1.00 0.00 C ATOM 1117 O LYS A 72 6.976 10.944 3.705 1.00 0.00 O ATOM 1118 CB LYS A 72 4.897 13.147 2.032 1.00 0.00 C ATOM 1119 CG LYS A 72 5.895 14.250 1.709 1.00 0.00 C ATOM 1120 CD LYS A 72 5.199 15.572 1.426 1.00 0.00 C ATOM 1121 CE LYS A 72 5.386 16.010 -0.019 1.00 0.00 C ATOM 1122 NZ LYS A 72 4.085 16.142 -0.731 1.00 0.00 N ATOM 0 H LYS A 72 3.692 11.186 1.068 1.00 0.00 H new ATOM 0 HA LYS A 72 6.413 11.767 1.385 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.067 13.201 1.327 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.483 13.322 3.025 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.585 14.373 2.544 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.491 13.960 0.844 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.135 15.476 1.642 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.592 16.340 2.092 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.912 16.964 -0.044 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.013 15.286 -0.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.153 16.898 -1.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.855 15.244 -1.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.337 16.376 -0.047 1.00 0.00 H new ATOM 1136 N GLU A 73 4.822 11.314 4.267 1.00 0.00 N ATOM 1137 CA GLU A 73 4.993 10.915 5.660 1.00 0.00 C ATOM 1138 C GLU A 73 5.644 9.540 5.747 1.00 0.00 C ATOM 1139 O GLU A 73 6.513 9.303 6.585 1.00 0.00 O ATOM 1140 CB GLU A 73 3.642 10.906 6.382 1.00 0.00 C ATOM 1141 CG GLU A 73 3.541 11.950 7.485 1.00 0.00 C ATOM 1142 CD GLU A 73 2.119 12.430 7.708 1.00 0.00 C ATOM 1143 OE1 GLU A 73 1.299 11.641 8.221 1.00 0.00 O ATOM 1144 OE2 GLU A 73 1.828 13.598 7.374 1.00 0.00 O ATOM 0 H GLU A 73 3.874 11.604 4.026 1.00 0.00 H new ATOM 0 HA GLU A 73 5.646 11.640 6.147 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.848 11.078 5.655 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.473 9.918 6.810 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.928 11.530 8.413 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.172 12.802 7.232 1.00 0.00 H new ATOM 1151 N ALA A 74 5.217 8.641 4.868 1.00 0.00 N ATOM 1152 CA ALA A 74 5.757 7.292 4.838 1.00 0.00 C ATOM 1153 C ALA A 74 7.194 7.289 4.335 1.00 0.00 C ATOM 1154 O ALA A 74 8.001 6.453 4.743 1.00 0.00 O ATOM 1155 CB ALA A 74 4.892 6.400 3.966 1.00 0.00 C ATOM 0 H ALA A 74 4.498 8.824 4.168 1.00 0.00 H new ATOM 0 HA ALA A 74 5.754 6.902 5.856 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.307 5.392 3.952 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.879 6.370 4.368 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.868 6.797 2.951 1.00 0.00 H new ATOM 1161 N SER A 75 7.514 8.228 3.450 1.00 0.00 N ATOM 1162 CA SER A 75 8.861 8.322 2.905 1.00 0.00 C ATOM 1163 C SER A 75 9.871 8.529 4.029 1.00 0.00 C ATOM 1164 O SER A 75 10.835 7.777 4.153 1.00 0.00 O ATOM 1165 CB SER A 75 8.956 9.463 1.891 1.00 0.00 C ATOM 1166 OG SER A 75 10.216 9.464 1.242 1.00 0.00 O ATOM 0 H SER A 75 6.863 8.930 3.098 1.00 0.00 H new ATOM 0 HA SER A 75 9.091 7.388 2.393 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.162 9.363 1.151 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.803 10.417 2.396 1.00 0.00 H new ATOM 0 HG SER A 75 10.129 9.048 0.359 1.00 0.00 H new ATOM 1172 N ALA A 76 9.644 9.552 4.851 1.00 0.00 N ATOM 1173 CA ALA A 76 10.537 9.841 5.970 1.00 0.00 C ATOM 1174 C ALA A 76 10.851 8.559 6.740 1.00 0.00 C ATOM 1175 O ALA A 76 11.983 8.339 7.171 1.00 0.00 O ATOM 1176 CB ALA A 76 9.912 10.880 6.890 1.00 0.00 C ATOM 0 H ALA A 76 8.854 10.191 4.764 1.00 0.00 H new ATOM 0 HA ALA A 76 11.470 10.246 5.579 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.589 11.086 7.719 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.732 11.799 6.332 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.967 10.501 7.278 1.00 0.00 H new ATOM 1182 N ALA A 77 9.839 7.708 6.884 1.00 0.00 N ATOM 1183 CA ALA A 77 10.000 6.434 7.573 1.00 0.00 C ATOM 1184 C ALA A 77 10.802 5.463 6.714 1.00 0.00 C ATOM 1185 O ALA A 77 11.520 4.602 7.223 1.00 0.00 O ATOM 1186 CB ALA A 77 8.643 5.843 7.907 1.00 0.00 C ATOM 0 H ALA A 77 8.897 7.879 6.531 1.00 0.00 H new ATOM 0 HA ALA A 77 10.544 6.607 8.501 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.777 4.891 8.421 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.096 6.530 8.552 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.080 5.682 6.988 1.00 0.00 H new ATOM 1192 N TYR A 78 10.678 5.629 5.401 1.00 0.00 N ATOM 1193 CA TYR A 78 11.389 4.797 4.437 1.00 0.00 C ATOM 1194 C TYR A 78 12.864 4.688 4.817 1.00 0.00 C ATOM 1195 O TYR A 78 13.382 3.594 5.028 1.00 0.00 O ATOM 1196 CB TYR A 78 11.257 5.400 3.030 1.00 0.00 C ATOM 1197 CG TYR A 78 11.552 4.438 1.894 1.00 0.00 C ATOM 1198 CD1 TYR A 78 12.485 3.418 2.039 1.00 0.00 C ATOM 1199 CD2 TYR A 78 10.896 4.553 0.672 1.00 0.00 C ATOM 1200 CE1 TYR A 78 12.754 2.544 1.009 1.00 0.00 C ATOM 1201 CE2 TYR A 78 11.159 3.681 -0.369 1.00 0.00 C ATOM 1202 CZ TYR A 78 12.089 2.678 -0.197 1.00 0.00 C ATOM 1203 OH TYR A 78 12.353 1.809 -1.234 1.00 0.00 O ATOM 0 H TYR A 78 10.084 6.341 4.977 1.00 0.00 H new ATOM 0 HA TYR A 78 10.950 3.799 4.444 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.244 5.784 2.908 1.00 0.00 H new ATOM 0 HB3 TYR A 78 11.932 6.252 2.950 1.00 0.00 H new ATOM 0 HD1 TYR A 78 13.009 3.309 2.977 1.00 0.00 H new ATOM 0 HD2 TYR A 78 10.168 5.338 0.534 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.481 1.757 1.142 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.639 3.785 -1.310 1.00 0.00 H new ATOM 0 HH TYR A 78 11.798 2.044 -2.007 1.00 0.00 H new ATOM 1213 N GLU A 79 13.526 5.834 4.896 1.00 0.00 N ATOM 1214 CA GLU A 79 14.946 5.883 5.233 1.00 0.00 C ATOM 1215 C GLU A 79 15.225 5.308 6.619 1.00 0.00 C ATOM 1216 O GLU A 79 16.117 4.478 6.785 1.00 0.00 O ATOM 1217 CB GLU A 79 15.457 7.323 5.153 1.00 0.00 C ATOM 1218 CG GLU A 79 15.452 7.885 3.740 1.00 0.00 C ATOM 1219 CD GLU A 79 14.524 9.073 3.585 1.00 0.00 C ATOM 1220 OE1 GLU A 79 14.880 10.171 4.063 1.00 0.00 O ATOM 1221 OE2 GLU A 79 13.441 8.906 2.984 1.00 0.00 O ATOM 0 H GLU A 79 13.102 6.747 4.731 1.00 0.00 H new ATOM 0 HA GLU A 79 15.475 5.266 4.507 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.840 7.956 5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 79 16.472 7.364 5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 79 16.465 8.183 3.469 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.152 7.102 3.043 1.00 0.00 H new ATOM 1228 N SER A 80 14.472 5.763 7.615 1.00 0.00 N ATOM 1229 CA SER A 80 14.657 5.306 8.984 1.00 0.00 C ATOM 1230 C SER A 80 14.498 3.793 9.101 1.00 0.00 C ATOM 1231 O SER A 80 15.318 3.121 9.725 1.00 0.00 O ATOM 1232 CB SER A 80 13.660 6.007 9.907 1.00 0.00 C ATOM 1233 OG SER A 80 13.884 7.405 9.925 1.00 0.00 O ATOM 0 H SER A 80 13.727 6.449 7.497 1.00 0.00 H new ATOM 0 HA SER A 80 15.674 5.558 9.284 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.643 5.802 9.573 1.00 0.00 H new ATOM 0 HB3 SER A 80 13.750 5.607 10.917 1.00 0.00 H new ATOM 0 HG SER A 80 13.234 7.833 10.520 1.00 0.00 H new ATOM 1239 N PHE A 81 13.435 3.264 8.507 1.00 0.00 N ATOM 1240 CA PHE A 81 13.169 1.833 8.559 1.00 0.00 C ATOM 1241 C PHE A 81 14.172 1.047 7.718 1.00 0.00 C ATOM 1242 O PHE A 81 14.640 -0.013 8.132 1.00 0.00 O ATOM 1243 CB PHE A 81 11.742 1.537 8.091 1.00 0.00 C ATOM 1244 CG PHE A 81 10.792 1.251 9.219 1.00 0.00 C ATOM 1245 CD1 PHE A 81 10.085 2.277 9.823 1.00 0.00 C ATOM 1246 CD2 PHE A 81 10.609 -0.044 9.678 1.00 0.00 C ATOM 1247 CE1 PHE A 81 9.211 2.018 10.862 1.00 0.00 C ATOM 1248 CE2 PHE A 81 9.738 -0.310 10.717 1.00 0.00 C ATOM 1249 CZ PHE A 81 9.037 0.722 11.311 1.00 0.00 C ATOM 0 H PHE A 81 12.745 3.804 7.985 1.00 0.00 H new ATOM 0 HA PHE A 81 13.277 1.514 9.596 1.00 0.00 H new ATOM 0 HB2 PHE A 81 11.371 2.388 7.520 1.00 0.00 H new ATOM 0 HB3 PHE A 81 11.759 0.682 7.415 1.00 0.00 H new ATOM 0 HD1 PHE A 81 10.218 3.292 9.478 1.00 0.00 H new ATOM 0 HD2 PHE A 81 11.154 -0.855 9.218 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.664 2.827 11.323 1.00 0.00 H new ATOM 0 HE2 PHE A 81 9.605 -1.324 11.065 1.00 0.00 H new ATOM 0 HZ PHE A 81 8.355 0.517 12.123 1.00 0.00 H new ATOM 1259 N LYS A 82 14.496 1.567 6.538 1.00 0.00 N ATOM 1260 CA LYS A 82 15.442 0.896 5.652 1.00 0.00 C ATOM 1261 C LYS A 82 16.879 1.046 6.147 1.00 0.00 C ATOM 1262 O LYS A 82 17.735 0.218 5.843 1.00 0.00 O ATOM 1263 CB LYS A 82 15.320 1.418 4.227 1.00 0.00 C ATOM 1264 CG LYS A 82 14.473 0.518 3.345 1.00 0.00 C ATOM 1265 CD LYS A 82 15.313 -0.563 2.675 1.00 0.00 C ATOM 1266 CE LYS A 82 15.428 -1.813 3.538 1.00 0.00 C ATOM 1267 NZ LYS A 82 16.689 -2.562 3.272 1.00 0.00 N ATOM 0 H LYS A 82 14.121 2.443 6.175 1.00 0.00 H new ATOM 0 HA LYS A 82 15.192 -0.165 5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.883 2.417 4.246 1.00 0.00 H new ATOM 0 HB3 LYS A 82 16.315 1.513 3.793 1.00 0.00 H new ATOM 0 HG2 LYS A 82 13.691 0.052 3.944 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.976 1.118 2.583 1.00 0.00 H new ATOM 0 HD2 LYS A 82 14.868 -0.825 1.715 1.00 0.00 H new ATOM 0 HD3 LYS A 82 16.309 -0.172 2.469 1.00 0.00 H new ATOM 0 HE2 LYS A 82 15.389 -1.532 4.590 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.574 -2.463 3.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 16.520 -3.581 3.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 17.004 -2.377 2.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 17.425 -2.251 3.938 1.00 0.00 H new ATOM 1281 N LYS A 83 17.141 2.102 6.913 1.00 0.00 N ATOM 1282 CA LYS A 83 18.479 2.337 7.447 1.00 0.00 C ATOM 1283 C LYS A 83 18.653 1.644 8.793 1.00 0.00 C ATOM 1284 O LYS A 83 19.584 0.860 8.985 1.00 0.00 O ATOM 1285 CB LYS A 83 18.747 3.831 7.602 1.00 0.00 C ATOM 1286 CG LYS A 83 19.060 4.528 6.289 1.00 0.00 C ATOM 1287 CD LYS A 83 20.249 5.461 6.432 1.00 0.00 C ATOM 1288 CE LYS A 83 20.107 6.689 5.550 1.00 0.00 C ATOM 1289 NZ LYS A 83 21.431 7.276 5.209 1.00 0.00 N ATOM 0 H LYS A 83 16.449 2.804 7.176 1.00 0.00 H new ATOM 0 HA LYS A 83 19.196 1.921 6.739 1.00 0.00 H new ATOM 0 HB2 LYS A 83 17.876 4.303 8.057 1.00 0.00 H new ATOM 0 HB3 LYS A 83 19.582 3.973 8.288 1.00 0.00 H new ATOM 0 HG2 LYS A 83 19.269 3.784 5.520 1.00 0.00 H new ATOM 0 HG3 LYS A 83 18.189 5.093 5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 83 20.347 5.770 7.473 1.00 0.00 H new ATOM 0 HD3 LYS A 83 21.163 4.928 6.170 1.00 0.00 H new ATOM 0 HE2 LYS A 83 19.581 6.421 4.634 1.00 0.00 H new ATOM 0 HE3 LYS A 83 19.498 7.435 6.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 21.295 8.112 4.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 21.922 7.555 6.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 22.002 6.572 4.700 1.00 0.00 H new ATOM 1303 N GLU A 84 17.749 1.938 9.724 1.00 0.00 N ATOM 1304 CA GLU A 84 17.799 1.346 11.054 1.00 0.00 C ATOM 1305 C GLU A 84 17.034 0.028 11.090 1.00 0.00 C ATOM 1306 O GLU A 84 16.264 -0.231 12.017 1.00 0.00 O ATOM 1307 CB GLU A 84 17.215 2.308 12.089 1.00 0.00 C ATOM 1308 CG GLU A 84 18.215 3.325 12.614 1.00 0.00 C ATOM 1309 CD GLU A 84 17.838 3.848 13.986 1.00 0.00 C ATOM 1310 OE1 GLU A 84 17.353 3.048 14.813 1.00 0.00 O ATOM 1311 OE2 GLU A 84 18.027 5.058 14.233 1.00 0.00 O ATOM 0 H GLU A 84 16.973 2.584 9.580 1.00 0.00 H new ATOM 0 HA GLU A 84 18.844 1.151 11.296 1.00 0.00 H new ATOM 0 HB2 GLU A 84 16.372 2.837 11.645 1.00 0.00 H new ATOM 0 HB3 GLU A 84 16.823 1.731 12.927 1.00 0.00 H new ATOM 0 HG2 GLU A 84 19.204 2.868 12.661 1.00 0.00 H new ATOM 0 HG3 GLU A 84 18.282 4.159 11.916 1.00 0.00 H new ATOM 1318 N GLN A 85 17.249 -0.805 10.077 1.00 0.00 N ATOM 1319 CA GLN A 85 16.581 -2.097 9.999 1.00 0.00 C ATOM 1320 C GLN A 85 17.355 -3.147 10.785 1.00 0.00 C ATOM 1321 O GLN A 85 17.686 -4.212 10.262 1.00 0.00 O ATOM 1322 CB GLN A 85 16.436 -2.540 8.541 1.00 0.00 C ATOM 1323 CG GLN A 85 17.720 -2.422 7.738 1.00 0.00 C ATOM 1324 CD GLN A 85 18.057 -3.696 6.987 1.00 0.00 C ATOM 1325 OE1 GLN A 85 17.168 -4.429 6.552 1.00 0.00 O ATOM 1326 NE2 GLN A 85 19.348 -3.967 6.836 1.00 0.00 N ATOM 0 H GLN A 85 17.880 -0.608 9.300 1.00 0.00 H new ATOM 0 HA GLN A 85 15.588 -1.992 10.435 1.00 0.00 H new ATOM 0 HB2 GLN A 85 16.096 -3.575 8.517 1.00 0.00 H new ATOM 0 HB3 GLN A 85 15.662 -1.939 8.063 1.00 0.00 H new ATOM 0 HG2 GLN A 85 17.626 -1.600 7.028 1.00 0.00 H new ATOM 0 HG3 GLN A 85 18.542 -2.172 8.409 1.00 0.00 H new ATOM 0 HE21 GLN A 85 20.050 -3.331 7.213 1.00 0.00 H new ATOM 0 HE22 GLN A 85 19.638 -4.812 6.343 1.00 0.00 H new ATOM 1335 N GLU A 86 17.635 -2.842 12.047 1.00 0.00 N ATOM 1336 CA GLU A 86 18.364 -3.758 12.914 1.00 0.00 C ATOM 1337 C GLU A 86 17.459 -4.893 13.396 1.00 0.00 C ATOM 1338 O GLU A 86 17.903 -5.789 14.115 1.00 0.00 O ATOM 1339 CB GLU A 86 18.947 -3.001 14.109 1.00 0.00 C ATOM 1340 CG GLU A 86 20.098 -2.078 13.739 1.00 0.00 C ATOM 1341 CD GLU A 86 20.192 -0.870 14.651 1.00 0.00 C ATOM 1342 OE1 GLU A 86 19.156 -0.204 14.862 1.00 0.00 O ATOM 1343 OE2 GLU A 86 21.301 -0.589 15.154 1.00 0.00 O ATOM 0 H GLU A 86 17.367 -1.965 12.493 1.00 0.00 H new ATOM 0 HA GLU A 86 19.180 -4.196 12.339 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.157 -2.414 14.578 1.00 0.00 H new ATOM 0 HB3 GLU A 86 19.293 -3.720 14.851 1.00 0.00 H new ATOM 0 HG2 GLU A 86 21.034 -2.635 13.782 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.974 -1.743 12.709 1.00 0.00 H new ATOM 1350 N GLN A 87 16.191 -4.852 12.991 1.00 0.00 N ATOM 1351 CA GLN A 87 15.230 -5.875 13.372 1.00 0.00 C ATOM 1352 C GLN A 87 15.220 -7.005 12.349 1.00 0.00 C ATOM 1353 O GLN A 87 14.936 -8.155 12.682 1.00 0.00 O ATOM 1354 CB GLN A 87 13.829 -5.269 13.487 1.00 0.00 C ATOM 1355 CG GLN A 87 12.980 -5.893 14.582 1.00 0.00 C ATOM 1356 CD GLN A 87 11.493 -5.755 14.316 1.00 0.00 C ATOM 1357 OE1 GLN A 87 10.940 -4.656 14.372 1.00 0.00 O ATOM 1358 NE2 GLN A 87 10.837 -6.873 14.028 1.00 0.00 N ATOM 0 H GLN A 87 15.808 -4.117 12.397 1.00 0.00 H new ATOM 0 HA GLN A 87 15.525 -6.279 14.341 1.00 0.00 H new ATOM 0 HB2 GLN A 87 13.920 -4.199 13.676 1.00 0.00 H new ATOM 0 HB3 GLN A 87 13.315 -5.382 12.533 1.00 0.00 H new ATOM 0 HG2 GLN A 87 13.232 -6.949 14.675 1.00 0.00 H new ATOM 0 HG3 GLN A 87 13.220 -5.423 15.536 1.00 0.00 H new ATOM 0 HE21 GLN A 87 11.336 -7.762 13.992 1.00 0.00 H new ATOM 0 HE22 GLN A 87 9.834 -6.843 13.842 1.00 0.00 H new ATOM 1367 N GLN A 88 15.530 -6.666 11.102 1.00 0.00 N ATOM 1368 CA GLN A 88 15.555 -7.651 10.027 1.00 0.00 C ATOM 1369 C GLN A 88 16.854 -8.457 10.035 1.00 0.00 C ATOM 1370 O GLN A 88 17.014 -9.393 9.253 1.00 0.00 O ATOM 1371 CB GLN A 88 15.378 -6.964 8.671 1.00 0.00 C ATOM 1372 CG GLN A 88 14.847 -7.888 7.588 1.00 0.00 C ATOM 1373 CD GLN A 88 15.108 -7.361 6.190 1.00 0.00 C ATOM 1374 OE1 GLN A 88 15.437 -6.189 6.008 1.00 0.00 O ATOM 1375 NE2 GLN A 88 14.966 -8.228 5.193 1.00 0.00 N ATOM 0 H GLN A 88 15.767 -5.718 10.811 1.00 0.00 H new ATOM 0 HA GLN A 88 14.727 -8.340 10.193 1.00 0.00 H new ATOM 0 HB2 GLN A 88 14.696 -6.122 8.786 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.337 -6.556 8.351 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.310 -8.869 7.694 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.774 -8.025 7.726 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.692 -9.191 5.389 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.131 -7.931 4.231 1.00 0.00 H new ATOM 1384 N THR A 89 17.777 -8.092 10.920 1.00 0.00 N ATOM 1385 CA THR A 89 19.053 -8.790 11.021 1.00 0.00 C ATOM 1386 C THR A 89 18.949 -9.960 11.993 1.00 0.00 C ATOM 1387 O THR A 89 19.177 -9.808 13.193 1.00 0.00 O ATOM 1388 CB THR A 89 20.149 -7.822 11.471 1.00 0.00 C ATOM 1389 OG1 THR A 89 21.400 -8.486 11.565 1.00 0.00 O ATOM 1390 CG2 THR A 89 19.868 -7.183 12.813 1.00 0.00 C ATOM 0 H THR A 89 17.665 -7.319 11.576 1.00 0.00 H new ATOM 0 HA THR A 89 19.312 -9.182 10.038 1.00 0.00 H new ATOM 0 HB THR A 89 20.173 -7.041 10.711 1.00 0.00 H new ATOM 0 HG1 THR A 89 22.087 -7.849 11.853 1.00 0.00 H new ATOM 0 HG21 THR A 89 20.684 -6.508 13.073 1.00 0.00 H new ATOM 0 HG22 THR A 89 18.935 -6.621 12.760 1.00 0.00 H new ATOM 0 HG23 THR A 89 19.782 -7.958 13.574 1.00 0.00 H new ATOM 1398 N GLU A 90 18.595 -11.128 11.464 1.00 0.00 N ATOM 1399 CA GLU A 90 18.449 -12.327 12.280 1.00 0.00 C ATOM 1400 C GLU A 90 19.790 -12.757 12.863 1.00 0.00 C ATOM 1401 O GLU A 90 20.772 -12.919 12.139 1.00 0.00 O ATOM 1402 CB GLU A 90 17.851 -13.464 11.446 1.00 0.00 C ATOM 1403 CG GLU A 90 16.816 -14.286 12.198 1.00 0.00 C ATOM 1404 CD GLU A 90 15.516 -13.534 12.408 1.00 0.00 C ATOM 1405 OE1 GLU A 90 15.566 -12.393 12.913 1.00 0.00 O ATOM 1406 OE2 GLU A 90 14.449 -14.085 12.066 1.00 0.00 O ATOM 0 H GLU A 90 18.404 -11.268 10.472 1.00 0.00 H new ATOM 0 HA GLU A 90 17.775 -12.096 13.105 1.00 0.00 H new ATOM 0 HB2 GLU A 90 17.391 -13.045 10.551 1.00 0.00 H new ATOM 0 HB3 GLU A 90 18.654 -14.122 11.113 1.00 0.00 H new ATOM 0 HG2 GLU A 90 16.615 -15.204 11.646 1.00 0.00 H new ATOM 0 HG3 GLU A 90 17.223 -14.579 13.166 1.00 0.00 H new ATOM 1413 N GLN A 91 19.822 -12.940 14.180 1.00 0.00 N ATOM 1414 CA GLN A 91 21.042 -13.349 14.865 1.00 0.00 C ATOM 1415 C GLN A 91 21.166 -14.867 14.899 1.00 0.00 C ATOM 1416 O GLN A 91 20.189 -15.586 14.684 1.00 0.00 O ATOM 1417 CB GLN A 91 21.061 -12.794 16.291 1.00 0.00 C ATOM 1418 CG GLN A 91 19.867 -13.229 17.128 1.00 0.00 C ATOM 1419 CD GLN A 91 20.273 -13.976 18.384 1.00 0.00 C ATOM 1420 OE1 GLN A 91 20.974 -13.437 19.241 1.00 0.00 O ATOM 1421 NE2 GLN A 91 19.832 -15.223 18.501 1.00 0.00 N ATOM 0 H GLN A 91 19.017 -12.811 14.793 1.00 0.00 H new ATOM 0 HA GLN A 91 21.890 -12.946 14.312 1.00 0.00 H new ATOM 0 HB2 GLN A 91 21.978 -13.116 16.785 1.00 0.00 H new ATOM 0 HB3 GLN A 91 21.087 -11.705 16.248 1.00 0.00 H new ATOM 0 HG2 GLN A 91 19.284 -12.351 17.405 1.00 0.00 H new ATOM 0 HG3 GLN A 91 19.219 -13.865 16.525 1.00 0.00 H new ATOM 0 HE21 GLN A 91 19.253 -15.630 17.766 1.00 0.00 H new ATOM 0 HE22 GLN A 91 20.072 -15.774 19.325 1.00 0.00 H new ATOM 1430 N ALA A 92 22.373 -15.349 15.173 1.00 0.00 N ATOM 1431 CA ALA A 92 22.628 -16.782 15.238 1.00 0.00 C ATOM 1432 C ALA A 92 22.685 -17.262 16.683 1.00 0.00 C ATOM 1433 O ALA A 92 23.123 -18.411 16.909 1.00 0.00 O ATOM 1434 CB ALA A 92 23.923 -17.119 14.515 1.00 0.00 C ATOM 1435 OXT ALA A 92 22.291 -16.486 17.580 1.00 0.00 O ATOM 0 H ALA A 92 23.191 -14.767 15.354 1.00 0.00 H new ATOM 0 HA ALA A 92 21.805 -17.298 14.744 1.00 0.00 H new ATOM 0 HB1 ALA A 92 24.102 -18.193 14.571 1.00 0.00 H new ATOM 0 HB2 ALA A 92 23.845 -16.818 13.470 1.00 0.00 H new ATOM 0 HB3 ALA A 92 24.751 -16.588 14.985 1.00 0.00 H new TER 1441 ALA A 92