USER MOD reduce.3.24.130724 H: found=0, std=0, add=1086, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1081 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 ASN : amide:sc= -0.0895 K(o=-0.09,f=-1.6) USER MOD Set 1.2: A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 101 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.7!) USER MOD Set 2.2: A 102 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 73 THR OG1 : rot 101:sc= 0.419 USER MOD Set 3.2: A 76 GLN : amide:sc= 0.443 X(o=0.86,f=0.4) USER MOD Set 4.1: A 40 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 43 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 1 GLU N :NH3+ 147:sc= 0.0459 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 158:sc= -0.0317 (180deg=-0.515) USER MOD Single : A 10 THR OG1 : rot -150:sc= -0.0593 USER MOD Single : A 12 GLN : amide:sc= -0.198 K(o=-0.2,f=-2.3!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0328 USER MOD Single : A 20 SER OG : rot -155:sc= 0.00738 USER MOD Single : A 22 THR OG1 : rot -150:sc= -0.644 USER MOD Single : A 24 GLN : amide:sc= -0.25 K(o=-0.25,f=-2.7!) USER MOD Single : A 25 LYS NZ :NH3+ -140:sc= -3.69! (180deg=-6.77!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.675 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.00433 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 82:sc= 0.672 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.101 K(o=-0.1,f=-0.68) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.613 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= -1.75 K(o=-1.8,f=-3.9!) USER MOD Single : A 63 HIS : no HE2:sc= -2.53 K(o=-2.5,f=-4.8) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.00673 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.049 X(o=-0.049,f=-0.52) USER MOD Single : A 80 HIS : no HE2:sc= -0.247 K(o=-0.25,f=-2.6!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0217) USER MOD Single : A 93 ASN : amide:sc= -0.576 K(o=-0.58,f=-2.7!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.39) USER MOD Single : A 111 SER OG : rot 180:sc= -0.322 USER MOD Single : A 112 THR OG1 : rot 28:sc= 0.0281 USER MOD Single : A 115 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 THR OG1 : rot -170:sc= -2 USER MOD Single : A 124 MET CE :methyl 133:sc= -8.09! (180deg=-14.4!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 57:sc= 0.521 USER MOD Single : A 130 LYS NZ :NH3+ -156:sc= 0.776 (180deg=0.422) USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= -0.0165 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -17.799 21.154 1.460 1.00 7.24 N ATOM 2 CA GLU A 1 -17.470 20.025 0.545 1.00 7.27 C ATOM 3 C GLU A 1 -18.613 19.009 0.555 1.00 6.90 C ATOM 4 O GLU A 1 -19.571 19.147 1.290 1.00 6.20 O ATOM 5 CB GLU A 1 -16.181 19.346 1.013 1.00 6.65 C ATOM 6 CG GLU A 1 -15.056 19.644 0.020 1.00 7.82 C ATOM 7 CD GLU A 1 -13.985 18.557 0.121 1.00 7.81 C ATOM 8 OE1 GLU A 1 -14.325 17.451 0.508 1.00 6.96 O ATOM 9 OE2 GLU A 1 -12.842 18.848 -0.190 1.00 8.85 O ATOM 0 H1 GLU A 1 -16.925 21.516 1.892 1.00 7.24 H new ATOM 0 H2 GLU A 1 -18.260 21.915 0.921 1.00 7.24 H new ATOM 0 H3 GLU A 1 -18.442 20.820 2.206 1.00 7.24 H new ATOM 0 HA GLU A 1 -17.333 20.407 -0.466 1.00 7.27 H new ATOM 0 HB2 GLU A 1 -15.908 19.705 2.006 1.00 6.65 H new ATOM 0 HB3 GLU A 1 -16.333 18.270 1.094 1.00 6.65 H new ATOM 0 HG2 GLU A 1 -15.453 19.685 -0.994 1.00 7.82 H new ATOM 0 HG3 GLU A 1 -14.619 20.620 0.231 1.00 7.82 H new ATOM 18 N ALA A 2 -18.522 17.990 -0.253 1.00 7.54 N ATOM 19 CA ALA A 2 -19.603 16.966 -0.288 1.00 7.39 C ATOM 20 C ALA A 2 -19.584 16.160 1.013 1.00 6.14 C ATOM 21 O ALA A 2 -18.880 15.177 1.135 1.00 6.23 O ATOM 22 CB ALA A 2 -19.381 16.027 -1.474 1.00 8.58 C ATOM 0 H ALA A 2 -17.745 17.822 -0.892 1.00 7.54 H new ATOM 0 HA ALA A 2 -20.568 17.461 -0.395 1.00 7.39 H new ATOM 0 HB1 ALA A 2 -20.173 15.278 -1.498 1.00 8.58 H new ATOM 0 HB2 ALA A 2 -19.396 16.601 -2.400 1.00 8.58 H new ATOM 0 HB3 ALA A 2 -18.416 15.531 -1.370 1.00 8.58 H new ATOM 28 N GLU A 3 -20.353 16.567 1.985 1.00 5.27 N ATOM 29 CA GLU A 3 -20.382 15.823 3.276 1.00 4.44 C ATOM 30 C GLU A 3 -21.117 14.496 3.080 1.00 3.50 C ATOM 31 O GLU A 3 -22.240 14.462 2.616 1.00 3.59 O ATOM 32 CB GLU A 3 -21.111 16.662 4.329 1.00 4.58 C ATOM 33 CG GLU A 3 -20.887 16.055 5.715 1.00 4.00 C ATOM 34 CD GLU A 3 -21.912 16.630 6.694 1.00 4.42 C ATOM 35 OE1 GLU A 3 -22.926 17.130 6.234 1.00 4.57 O ATOM 36 OE2 GLU A 3 -21.666 16.563 7.887 1.00 4.99 O ATOM 0 H GLU A 3 -20.963 17.383 1.941 1.00 5.27 H new ATOM 0 HA GLU A 3 -19.363 15.628 3.609 1.00 4.44 H new ATOM 0 HB2 GLU A 3 -20.745 17.689 4.307 1.00 4.58 H new ATOM 0 HB3 GLU A 3 -22.177 16.699 4.105 1.00 4.58 H new ATOM 0 HG2 GLU A 3 -20.981 14.970 5.668 1.00 4.00 H new ATOM 0 HG3 GLU A 3 -19.876 16.273 6.060 1.00 4.00 H new ATOM 43 N ALA A 4 -20.494 13.402 3.424 1.00 2.81 N ATOM 44 CA ALA A 4 -21.164 12.083 3.248 1.00 1.99 C ATOM 45 C ALA A 4 -20.364 10.996 3.973 1.00 1.41 C ATOM 46 O ALA A 4 -19.559 11.277 4.839 1.00 2.40 O ATOM 47 CB ALA A 4 -21.243 11.751 1.757 1.00 2.80 C ATOM 0 H ALA A 4 -19.554 13.365 3.818 1.00 2.81 H new ATOM 0 HA ALA A 4 -22.169 12.128 3.667 1.00 1.99 H new ATOM 0 HB1 ALA A 4 -21.733 10.786 1.625 1.00 2.80 H new ATOM 0 HB2 ALA A 4 -21.816 12.522 1.242 1.00 2.80 H new ATOM 0 HB3 ALA A 4 -20.237 11.707 1.340 1.00 2.80 H new ATOM 53 N HIS A 5 -20.582 9.756 3.627 1.00 0.51 N ATOM 54 CA HIS A 5 -19.839 8.650 4.297 1.00 0.94 C ATOM 55 C HIS A 5 -18.389 8.634 3.807 1.00 0.95 C ATOM 56 O HIS A 5 -18.097 9.006 2.687 1.00 0.74 O ATOM 57 CB HIS A 5 -20.505 7.314 3.957 1.00 1.55 C ATOM 58 CG HIS A 5 -20.236 6.324 5.055 1.00 2.98 C ATOM 59 ND1 HIS A 5 -21.077 6.185 6.149 1.00 3.85 N ATOM 60 CD2 HIS A 5 -19.226 5.413 5.242 1.00 4.20 C ATOM 61 CE1 HIS A 5 -20.562 5.224 6.938 1.00 5.14 C ATOM 62 NE2 HIS A 5 -19.433 4.720 6.430 1.00 5.48 N ATOM 0 H HIS A 5 -21.243 9.461 2.909 1.00 0.51 H new ATOM 0 HA HIS A 5 -19.854 8.804 5.376 1.00 0.94 H new ATOM 0 HB2 HIS A 5 -21.579 7.452 3.833 1.00 1.55 H new ATOM 0 HB3 HIS A 5 -20.121 6.935 3.010 1.00 1.55 H new ATOM 0 HD2 HIS A 5 -18.396 5.258 4.568 1.00 4.20 H new ATOM 0 HE1 HIS A 5 -21.006 4.900 7.867 1.00 5.14 H new ATOM 0 HE2 HIS A 5 -18.849 3.985 6.828 1.00 5.48 H new ATOM 70 N LYS A 6 -17.478 8.201 4.637 1.00 1.89 N ATOM 71 CA LYS A 6 -16.048 8.157 4.219 1.00 2.04 C ATOM 72 C LYS A 6 -15.743 6.790 3.602 1.00 1.94 C ATOM 73 O LYS A 6 -14.988 6.007 4.145 1.00 2.54 O ATOM 74 CB LYS A 6 -15.153 8.378 5.439 1.00 3.11 C ATOM 75 CG LYS A 6 -15.286 9.826 5.916 1.00 3.79 C ATOM 76 CD LYS A 6 -15.292 9.864 7.446 1.00 4.71 C ATOM 77 CE LYS A 6 -15.109 11.306 7.921 1.00 5.81 C ATOM 78 NZ LYS A 6 -16.068 12.192 7.203 1.00 5.59 N ATOM 0 H LYS A 6 -17.663 7.876 5.586 1.00 1.89 H new ATOM 0 HA LYS A 6 -15.858 8.939 3.484 1.00 2.04 H new ATOM 0 HB2 LYS A 6 -15.435 7.693 6.239 1.00 3.11 H new ATOM 0 HB3 LYS A 6 -14.115 8.162 5.186 1.00 3.11 H new ATOM 0 HG2 LYS A 6 -14.460 10.424 5.531 1.00 3.79 H new ATOM 0 HG3 LYS A 6 -16.205 10.264 5.528 1.00 3.79 H new ATOM 0 HD2 LYS A 6 -16.230 9.461 7.827 1.00 4.71 H new ATOM 0 HD3 LYS A 6 -14.492 9.236 7.839 1.00 4.71 H new ATOM 0 HE2 LYS A 6 -15.274 11.369 8.997 1.00 5.81 H new ATOM 0 HE3 LYS A 6 -14.086 11.634 7.736 1.00 5.81 H new ATOM 0 HZ1 LYS A 6 -16.218 13.061 7.755 1.00 5.59 H new ATOM 0 HZ2 LYS A 6 -15.682 12.437 6.269 1.00 5.59 H new ATOM 0 HZ3 LYS A 6 -16.975 11.697 7.083 1.00 5.59 H new ATOM 92 N CYS A 7 -16.327 6.495 2.473 1.00 1.53 N ATOM 93 CA CYS A 7 -16.075 5.178 1.822 1.00 2.17 C ATOM 94 C CYS A 7 -15.475 5.398 0.432 1.00 2.49 C ATOM 95 O CYS A 7 -14.411 4.902 0.117 1.00 2.99 O ATOM 96 CB CYS A 7 -17.395 4.415 1.691 1.00 2.43 C ATOM 97 SG CYS A 7 -17.176 3.016 0.562 1.00 2.89 S ATOM 0 H CYS A 7 -16.969 7.110 1.973 1.00 1.53 H new ATOM 0 HA CYS A 7 -15.378 4.601 2.430 1.00 2.17 H new ATOM 0 HB2 CYS A 7 -17.720 4.059 2.669 1.00 2.43 H new ATOM 0 HB3 CYS A 7 -18.175 5.078 1.318 1.00 2.43 H new ATOM 102 N ASP A 8 -16.153 6.137 -0.404 1.00 2.43 N ATOM 103 CA ASP A 8 -15.626 6.385 -1.776 1.00 3.02 C ATOM 104 C ASP A 8 -14.728 7.626 -1.770 1.00 2.59 C ATOM 105 O ASP A 8 -13.819 7.747 -2.567 1.00 2.48 O ATOM 106 CB ASP A 8 -16.800 6.611 -2.733 1.00 3.67 C ATOM 107 CG ASP A 8 -16.280 6.688 -4.170 1.00 4.06 C ATOM 108 OD1 ASP A 8 -15.789 7.739 -4.546 1.00 3.45 O ATOM 109 OD2 ASP A 8 -16.384 5.695 -4.870 1.00 5.18 O ATOM 0 H ASP A 8 -17.048 6.579 -0.196 1.00 2.43 H new ATOM 0 HA ASP A 8 -15.044 5.523 -2.102 1.00 3.02 H new ATOM 0 HB2 ASP A 8 -17.521 5.799 -2.639 1.00 3.67 H new ATOM 0 HB3 ASP A 8 -17.322 7.532 -2.474 1.00 3.67 H new ATOM 114 N ILE A 9 -14.976 8.549 -0.881 1.00 2.41 N ATOM 115 CA ILE A 9 -14.137 9.780 -0.833 1.00 2.11 C ATOM 116 C ILE A 9 -12.727 9.427 -0.350 1.00 1.68 C ATOM 117 O ILE A 9 -11.742 9.741 -0.993 1.00 1.50 O ATOM 118 CB ILE A 9 -14.764 10.789 0.133 1.00 2.32 C ATOM 119 CG1 ILE A 9 -16.232 11.014 -0.242 1.00 3.12 C ATOM 120 CG2 ILE A 9 -14.010 12.118 0.045 1.00 1.95 C ATOM 121 CD1 ILE A 9 -16.330 11.405 -1.718 1.00 3.86 C ATOM 0 H ILE A 9 -15.722 8.504 -0.187 1.00 2.41 H new ATOM 0 HA ILE A 9 -14.080 10.214 -1.831 1.00 2.11 H new ATOM 0 HB ILE A 9 -14.703 10.401 1.150 1.00 2.32 H new ATOM 0 HG12 ILE A 9 -16.808 10.108 -0.056 1.00 3.12 H new ATOM 0 HG13 ILE A 9 -16.661 11.798 0.382 1.00 3.12 H new ATOM 0 HG21 ILE A 9 -14.457 12.836 0.733 1.00 1.95 H new ATOM 0 HG22 ILE A 9 -12.965 11.962 0.312 1.00 1.95 H new ATOM 0 HG23 ILE A 9 -14.071 12.504 -0.972 1.00 1.95 H new ATOM 0 HD11 ILE A 9 -17.375 11.565 -1.983 1.00 3.86 H new ATOM 0 HD12 ILE A 9 -15.768 12.323 -1.889 1.00 3.86 H new ATOM 0 HD13 ILE A 9 -15.917 10.606 -2.334 1.00 3.86 H new ATOM 133 N THR A 10 -12.621 8.784 0.781 1.00 1.56 N ATOM 134 CA THR A 10 -11.275 8.420 1.309 1.00 1.18 C ATOM 135 C THR A 10 -10.558 7.503 0.315 1.00 0.98 C ATOM 136 O THR A 10 -9.372 7.628 0.096 1.00 0.70 O ATOM 137 CB THR A 10 -11.429 7.698 2.650 1.00 1.23 C ATOM 138 OG1 THR A 10 -12.326 8.425 3.477 1.00 1.56 O ATOM 139 CG2 THR A 10 -10.065 7.597 3.338 1.00 0.69 C ATOM 0 H THR A 10 -13.408 8.495 1.362 1.00 1.56 H new ATOM 0 HA THR A 10 -10.688 9.328 1.449 1.00 1.18 H new ATOM 0 HB THR A 10 -11.822 6.696 2.480 1.00 1.23 H new ATOM 0 HG1 THR A 10 -12.087 8.289 4.418 1.00 1.56 H new ATOM 0 HG21 THR A 10 -10.176 7.083 4.293 1.00 0.69 H new ATOM 0 HG22 THR A 10 -9.378 7.038 2.703 1.00 0.69 H new ATOM 0 HG23 THR A 10 -9.669 8.598 3.509 1.00 0.69 H new ATOM 147 N LEU A 11 -11.263 6.583 -0.288 1.00 1.17 N ATOM 148 CA LEU A 11 -10.604 5.667 -1.266 1.00 1.08 C ATOM 149 C LEU A 11 -10.202 6.445 -2.522 1.00 0.83 C ATOM 150 O LEU A 11 -9.316 6.043 -3.248 1.00 0.79 O ATOM 151 CB LEU A 11 -11.573 4.555 -1.668 1.00 1.38 C ATOM 152 CG LEU A 11 -11.143 3.237 -1.027 1.00 1.35 C ATOM 153 CD1 LEU A 11 -12.380 2.439 -0.608 1.00 2.07 C ATOM 154 CD2 LEU A 11 -10.329 2.419 -2.033 1.00 2.88 C ATOM 0 H LEU A 11 -12.261 6.426 -0.147 1.00 1.17 H new ATOM 0 HA LEU A 11 -9.718 5.237 -0.799 1.00 1.08 H new ATOM 0 HB2 LEU A 11 -12.585 4.810 -1.353 1.00 1.38 H new ATOM 0 HB3 LEU A 11 -11.593 4.453 -2.753 1.00 1.38 H new ATOM 0 HG LEU A 11 -10.533 3.448 -0.149 1.00 1.35 H new ATOM 0 HD11 LEU A 11 -12.069 1.499 -0.151 1.00 2.07 H new ATOM 0 HD12 LEU A 11 -12.960 3.018 0.111 1.00 2.07 H new ATOM 0 HD13 LEU A 11 -12.993 2.231 -1.485 1.00 2.07 H new ATOM 0 HD21 LEU A 11 -10.023 1.479 -1.574 1.00 2.88 H new ATOM 0 HD22 LEU A 11 -10.939 2.212 -2.912 1.00 2.88 H new ATOM 0 HD23 LEU A 11 -9.445 2.983 -2.330 1.00 2.88 H new ATOM 166 N GLN A 12 -10.851 7.545 -2.797 1.00 0.71 N ATOM 167 CA GLN A 12 -10.501 8.328 -4.016 1.00 0.48 C ATOM 168 C GLN A 12 -9.135 8.987 -3.832 1.00 0.33 C ATOM 169 O GLN A 12 -8.216 8.756 -4.592 1.00 0.28 O ATOM 170 CB GLN A 12 -11.559 9.406 -4.252 1.00 0.59 C ATOM 171 CG GLN A 12 -12.550 8.924 -5.314 1.00 2.26 C ATOM 172 CD GLN A 12 -13.059 10.123 -6.116 1.00 1.80 C ATOM 173 OE1 GLN A 12 -12.775 11.256 -5.783 1.00 0.40 O ATOM 174 NE2 GLN A 12 -13.803 9.920 -7.169 1.00 2.97 N ATOM 0 H GLN A 12 -11.606 7.934 -2.232 1.00 0.71 H new ATOM 0 HA GLN A 12 -10.465 7.658 -4.875 1.00 0.48 H new ATOM 0 HB2 GLN A 12 -12.084 9.625 -3.322 1.00 0.59 H new ATOM 0 HB3 GLN A 12 -11.084 10.332 -4.576 1.00 0.59 H new ATOM 0 HG2 GLN A 12 -12.068 8.207 -5.978 1.00 2.26 H new ATOM 0 HG3 GLN A 12 -13.385 8.408 -4.840 1.00 2.26 H new ATOM 0 HE21 GLN A 12 -14.042 8.969 -7.449 1.00 2.97 H new ATOM 0 HE22 GLN A 12 -14.146 10.713 -7.712 1.00 2.97 H new ATOM 183 N GLU A 13 -8.995 9.809 -2.833 1.00 0.32 N ATOM 184 CA GLU A 13 -7.684 10.485 -2.606 1.00 0.32 C ATOM 185 C GLU A 13 -6.597 9.434 -2.357 1.00 0.24 C ATOM 186 O GLU A 13 -5.454 9.606 -2.737 1.00 0.37 O ATOM 187 CB GLU A 13 -7.781 11.417 -1.393 1.00 0.42 C ATOM 188 CG GLU A 13 -8.427 10.686 -0.209 1.00 2.65 C ATOM 189 CD GLU A 13 -9.604 11.509 0.317 1.00 3.53 C ATOM 190 OE1 GLU A 13 -10.402 11.949 -0.492 1.00 3.95 O ATOM 191 OE2 GLU A 13 -9.687 11.684 1.522 1.00 4.22 O ATOM 0 H GLU A 13 -9.728 10.044 -2.163 1.00 0.32 H new ATOM 0 HA GLU A 13 -7.428 11.070 -3.489 1.00 0.32 H new ATOM 0 HB2 GLU A 13 -6.787 11.767 -1.114 1.00 0.42 H new ATOM 0 HB3 GLU A 13 -8.369 12.298 -1.649 1.00 0.42 H new ATOM 0 HG2 GLU A 13 -8.770 9.699 -0.520 1.00 2.65 H new ATOM 0 HG3 GLU A 13 -7.693 10.534 0.582 1.00 2.65 H new ATOM 198 N ILE A 14 -6.944 8.350 -1.723 1.00 0.16 N ATOM 199 CA ILE A 14 -5.937 7.288 -1.445 1.00 0.34 C ATOM 200 C ILE A 14 -5.567 6.571 -2.749 1.00 0.33 C ATOM 201 O ILE A 14 -4.478 6.052 -2.891 1.00 0.45 O ATOM 202 CB ILE A 14 -6.523 6.286 -0.447 1.00 0.46 C ATOM 203 CG1 ILE A 14 -5.969 6.577 0.950 1.00 0.61 C ATOM 204 CG2 ILE A 14 -6.150 4.862 -0.859 1.00 0.76 C ATOM 205 CD1 ILE A 14 -6.752 7.731 1.578 1.00 1.96 C ATOM 0 H ILE A 14 -7.885 8.152 -1.384 1.00 0.16 H new ATOM 0 HA ILE A 14 -5.039 7.738 -1.022 1.00 0.34 H new ATOM 0 HB ILE A 14 -7.609 6.381 -0.437 1.00 0.46 H new ATOM 0 HG12 ILE A 14 -6.046 5.688 1.576 1.00 0.61 H new ATOM 0 HG13 ILE A 14 -4.911 6.832 0.888 1.00 0.61 H new ATOM 0 HG21 ILE A 14 -6.570 4.155 -0.144 1.00 0.76 H new ATOM 0 HG22 ILE A 14 -6.548 4.654 -1.852 1.00 0.76 H new ATOM 0 HG23 ILE A 14 -5.065 4.760 -0.875 1.00 0.76 H new ATOM 0 HD11 ILE A 14 -6.358 7.939 2.573 1.00 1.96 H new ATOM 0 HD12 ILE A 14 -6.652 8.620 0.955 1.00 1.96 H new ATOM 0 HD13 ILE A 14 -7.804 7.458 1.654 1.00 1.96 H new ATOM 217 N ILE A 15 -6.458 6.543 -3.702 1.00 0.23 N ATOM 218 CA ILE A 15 -6.146 5.865 -4.994 1.00 0.25 C ATOM 219 C ILE A 15 -5.110 6.699 -5.745 1.00 0.21 C ATOM 220 O ILE A 15 -4.141 6.183 -6.273 1.00 0.29 O ATOM 221 CB ILE A 15 -7.419 5.741 -5.833 1.00 0.29 C ATOM 222 CG1 ILE A 15 -8.075 4.376 -5.580 1.00 0.51 C ATOM 223 CG2 ILE A 15 -7.063 5.870 -7.317 1.00 0.25 C ATOM 224 CD1 ILE A 15 -9.387 4.288 -6.360 1.00 1.13 C ATOM 0 H ILE A 15 -7.387 6.959 -3.643 1.00 0.23 H new ATOM 0 HA ILE A 15 -5.752 4.867 -4.805 1.00 0.25 H new ATOM 0 HB ILE A 15 -8.115 6.532 -5.554 1.00 0.29 H new ATOM 0 HG12 ILE A 15 -7.403 3.575 -5.887 1.00 0.51 H new ATOM 0 HG13 ILE A 15 -8.263 4.243 -4.515 1.00 0.51 H new ATOM 0 HG21 ILE A 15 -7.968 5.782 -7.917 1.00 0.25 H new ATOM 0 HG22 ILE A 15 -6.601 6.841 -7.497 1.00 0.25 H new ATOM 0 HG23 ILE A 15 -6.366 5.079 -7.594 1.00 0.25 H new ATOM 0 HD11 ILE A 15 -9.853 3.319 -6.180 1.00 1.13 H new ATOM 0 HD12 ILE A 15 -10.060 5.080 -6.031 1.00 1.13 H new ATOM 0 HD13 ILE A 15 -9.185 4.402 -7.425 1.00 1.13 H new ATOM 236 N LYS A 16 -5.298 7.988 -5.785 1.00 0.16 N ATOM 237 CA LYS A 16 -4.314 8.860 -6.484 1.00 0.25 C ATOM 238 C LYS A 16 -2.937 8.616 -5.869 1.00 0.32 C ATOM 239 O LYS A 16 -1.975 8.328 -6.556 1.00 0.30 O ATOM 240 CB LYS A 16 -4.706 10.328 -6.299 1.00 0.24 C ATOM 241 CG LYS A 16 -4.878 10.999 -7.665 1.00 0.51 C ATOM 242 CD LYS A 16 -6.181 11.805 -7.679 1.00 0.69 C ATOM 243 CE LYS A 16 -6.154 12.843 -6.555 1.00 0.84 C ATOM 244 NZ LYS A 16 -7.445 13.586 -6.534 1.00 1.10 N ATOM 0 H LYS A 16 -6.089 8.475 -5.365 1.00 0.16 H new ATOM 0 HA LYS A 16 -4.297 8.631 -7.549 1.00 0.25 H new ATOM 0 HB2 LYS A 16 -5.634 10.397 -5.731 1.00 0.24 H new ATOM 0 HB3 LYS A 16 -3.941 10.848 -5.723 1.00 0.24 H new ATOM 0 HG2 LYS A 16 -4.031 11.654 -7.869 1.00 0.51 H new ATOM 0 HG3 LYS A 16 -4.896 10.245 -8.452 1.00 0.51 H new ATOM 0 HD2 LYS A 16 -6.304 12.300 -8.642 1.00 0.69 H new ATOM 0 HD3 LYS A 16 -7.034 11.139 -7.552 1.00 0.69 H new ATOM 0 HE2 LYS A 16 -5.989 12.352 -5.596 1.00 0.84 H new ATOM 0 HE3 LYS A 16 -5.326 13.536 -6.705 1.00 0.84 H new ATOM 0 HZ1 LYS A 16 -7.427 14.292 -5.770 1.00 1.10 H new ATOM 0 HZ2 LYS A 16 -7.584 14.066 -7.446 1.00 1.10 H new ATOM 0 HZ3 LYS A 16 -8.227 12.919 -6.371 1.00 1.10 H new ATOM 258 N THR A 17 -2.846 8.709 -4.571 1.00 0.43 N ATOM 259 CA THR A 17 -1.542 8.463 -3.896 1.00 0.50 C ATOM 260 C THR A 17 -1.033 7.084 -4.308 1.00 0.55 C ATOM 261 O THR A 17 0.155 6.859 -4.428 1.00 0.55 O ATOM 262 CB THR A 17 -1.738 8.501 -2.380 1.00 0.47 C ATOM 263 OG1 THR A 17 -2.587 9.589 -2.039 1.00 0.41 O ATOM 264 CG2 THR A 17 -0.384 8.672 -1.692 1.00 0.56 C ATOM 0 H THR A 17 -3.619 8.945 -3.949 1.00 0.43 H new ATOM 0 HA THR A 17 -0.822 9.229 -4.184 1.00 0.50 H new ATOM 0 HB THR A 17 -2.194 7.568 -2.050 1.00 0.47 H new ATOM 0 HG1 THR A 17 -2.714 9.613 -1.068 1.00 0.41 H new ATOM 0 HG21 THR A 17 -0.526 8.699 -0.612 1.00 0.56 H new ATOM 0 HG22 THR A 17 0.265 7.835 -1.952 1.00 0.56 H new ATOM 0 HG23 THR A 17 0.076 9.604 -2.021 1.00 0.56 H new ATOM 272 N LEU A 18 -1.928 6.160 -4.534 1.00 0.59 N ATOM 273 CA LEU A 18 -1.504 4.794 -4.948 1.00 0.64 C ATOM 274 C LEU A 18 -0.597 4.900 -6.178 1.00 0.70 C ATOM 275 O LEU A 18 0.520 4.423 -6.183 1.00 0.83 O ATOM 276 CB LEU A 18 -2.735 3.958 -5.306 1.00 0.80 C ATOM 277 CG LEU A 18 -2.499 2.489 -4.933 1.00 0.63 C ATOM 278 CD1 LEU A 18 -3.455 1.604 -5.732 1.00 1.34 C ATOM 279 CD2 LEU A 18 -1.059 2.083 -5.264 1.00 1.63 C ATOM 0 H LEU A 18 -2.936 6.294 -4.449 1.00 0.59 H new ATOM 0 HA LEU A 18 -0.967 4.318 -4.128 1.00 0.64 H new ATOM 0 HB2 LEU A 18 -3.610 4.339 -4.779 1.00 0.80 H new ATOM 0 HB3 LEU A 18 -2.944 4.042 -6.373 1.00 0.80 H new ATOM 0 HG LEU A 18 -2.674 2.365 -3.864 1.00 0.63 H new ATOM 0 HD11 LEU A 18 -3.289 0.559 -5.469 1.00 1.34 H new ATOM 0 HD12 LEU A 18 -4.484 1.878 -5.500 1.00 1.34 H new ATOM 0 HD13 LEU A 18 -3.274 1.743 -6.798 1.00 1.34 H new ATOM 0 HD21 LEU A 18 -0.904 1.038 -4.994 1.00 1.63 H new ATOM 0 HD22 LEU A 18 -0.881 2.213 -6.331 1.00 1.63 H new ATOM 0 HD23 LEU A 18 -0.366 2.709 -4.702 1.00 1.63 H new ATOM 291 N ASN A 19 -1.078 5.523 -7.221 1.00 0.66 N ATOM 292 CA ASN A 19 -0.256 5.662 -8.459 1.00 0.73 C ATOM 293 C ASN A 19 1.042 6.411 -8.143 1.00 0.67 C ATOM 294 O ASN A 19 2.049 6.224 -8.796 1.00 0.75 O ATOM 295 CB ASN A 19 -1.045 6.448 -9.509 1.00 0.81 C ATOM 296 CG ASN A 19 -1.789 5.476 -10.427 1.00 0.46 C ATOM 297 OD1 ASN A 19 -1.216 4.521 -10.913 1.00 0.92 O ATOM 298 ND2 ASN A 19 -3.052 5.681 -10.688 1.00 1.35 N ATOM 0 H ASN A 19 -2.007 5.942 -7.269 1.00 0.66 H new ATOM 0 HA ASN A 19 -0.017 4.669 -8.841 1.00 0.73 H new ATOM 0 HB2 ASN A 19 -1.754 7.117 -9.020 1.00 0.81 H new ATOM 0 HB3 ASN A 19 -0.369 7.072 -10.094 1.00 0.81 H new ATOM 0 HD21 ASN A 19 -3.557 5.040 -11.300 1.00 1.35 H new ATOM 0 HD22 ASN A 19 -3.533 6.482 -10.280 1.00 1.35 H new ATOM 305 N SER A 20 1.028 7.262 -7.155 1.00 0.55 N ATOM 306 CA SER A 20 2.266 8.021 -6.815 1.00 0.54 C ATOM 307 C SER A 20 3.359 7.050 -6.359 1.00 0.54 C ATOM 308 O SER A 20 4.513 7.190 -6.717 1.00 0.56 O ATOM 309 CB SER A 20 1.968 9.018 -5.696 1.00 0.43 C ATOM 310 OG SER A 20 0.954 9.918 -6.125 1.00 1.10 O ATOM 0 H SER A 20 0.217 7.465 -6.570 1.00 0.55 H new ATOM 0 HA SER A 20 2.609 8.561 -7.698 1.00 0.54 H new ATOM 0 HB2 SER A 20 1.645 8.489 -4.799 1.00 0.43 H new ATOM 0 HB3 SER A 20 2.872 9.568 -5.434 1.00 0.43 H new ATOM 0 HG SER A 20 1.028 10.757 -5.624 1.00 1.10 H new ATOM 316 N LEU A 21 3.011 6.069 -5.570 1.00 0.52 N ATOM 317 CA LEU A 21 4.037 5.098 -5.091 1.00 0.52 C ATOM 318 C LEU A 21 4.512 4.204 -6.244 1.00 0.55 C ATOM 319 O LEU A 21 5.509 3.526 -6.131 1.00 0.47 O ATOM 320 CB LEU A 21 3.436 4.218 -3.990 1.00 0.48 C ATOM 321 CG LEU A 21 3.414 4.994 -2.676 1.00 0.53 C ATOM 322 CD1 LEU A 21 2.106 5.778 -2.569 1.00 1.60 C ATOM 323 CD2 LEU A 21 3.516 4.012 -1.510 1.00 0.78 C ATOM 0 H LEU A 21 2.062 5.898 -5.237 1.00 0.52 H new ATOM 0 HA LEU A 21 4.888 5.657 -4.700 1.00 0.52 H new ATOM 0 HB2 LEU A 21 2.425 3.915 -4.263 1.00 0.48 H new ATOM 0 HB3 LEU A 21 4.023 3.306 -3.877 1.00 0.48 H new ATOM 0 HG LEU A 21 4.255 5.687 -2.646 1.00 0.53 H new ATOM 0 HD11 LEU A 21 2.090 6.332 -1.631 1.00 1.60 H new ATOM 0 HD12 LEU A 21 2.030 6.475 -3.404 1.00 1.60 H new ATOM 0 HD13 LEU A 21 1.264 5.086 -2.596 1.00 1.60 H new ATOM 0 HD21 LEU A 21 3.501 4.562 -0.569 1.00 0.78 H new ATOM 0 HD22 LEU A 21 2.673 3.322 -1.541 1.00 0.78 H new ATOM 0 HD23 LEU A 21 4.447 3.451 -1.587 1.00 0.78 H new ATOM 335 N THR A 22 3.810 4.181 -7.346 1.00 0.65 N ATOM 336 CA THR A 22 4.238 3.311 -8.480 1.00 0.68 C ATOM 337 C THR A 22 5.361 3.979 -9.283 1.00 0.71 C ATOM 338 O THR A 22 6.093 3.324 -9.998 1.00 0.83 O ATOM 339 CB THR A 22 3.044 3.052 -9.402 1.00 0.77 C ATOM 340 OG1 THR A 22 1.836 3.328 -8.705 1.00 1.05 O ATOM 341 CG2 THR A 22 3.052 1.590 -9.846 1.00 0.55 C ATOM 0 H THR A 22 2.962 4.724 -7.510 1.00 0.65 H new ATOM 0 HA THR A 22 4.609 2.370 -8.075 1.00 0.68 H new ATOM 0 HB THR A 22 3.114 3.699 -10.276 1.00 0.77 H new ATOM 0 HG1 THR A 22 1.120 2.756 -9.052 1.00 1.05 H new ATOM 0 HG21 THR A 22 2.202 1.405 -10.503 1.00 0.55 H new ATOM 0 HG22 THR A 22 3.977 1.377 -10.381 1.00 0.55 H new ATOM 0 HG23 THR A 22 2.982 0.944 -8.971 1.00 0.55 H new ATOM 349 N GLU A 23 5.504 5.273 -9.184 1.00 0.72 N ATOM 350 CA GLU A 23 6.578 5.962 -9.957 1.00 0.73 C ATOM 351 C GLU A 23 7.938 5.325 -9.657 1.00 0.76 C ATOM 352 O GLU A 23 8.739 5.105 -10.544 1.00 0.68 O ATOM 353 CB GLU A 23 6.611 7.442 -9.572 1.00 0.74 C ATOM 354 CG GLU A 23 6.612 8.298 -10.839 1.00 1.07 C ATOM 355 CD GLU A 23 5.174 8.518 -11.309 1.00 1.85 C ATOM 356 OE1 GLU A 23 4.290 8.522 -10.468 1.00 2.22 O ATOM 357 OE2 GLU A 23 4.979 8.680 -12.503 1.00 2.88 O ATOM 0 H GLU A 23 4.926 5.881 -8.604 1.00 0.72 H new ATOM 0 HA GLU A 23 6.369 5.863 -11.022 1.00 0.73 H new ATOM 0 HB2 GLU A 23 5.747 7.688 -8.955 1.00 0.74 H new ATOM 0 HB3 GLU A 23 7.499 7.654 -8.976 1.00 0.74 H new ATOM 0 HG2 GLU A 23 7.092 9.257 -10.642 1.00 1.07 H new ATOM 0 HG3 GLU A 23 7.190 7.807 -11.622 1.00 1.07 H new ATOM 364 N GLN A 24 8.209 5.036 -8.415 1.00 0.91 N ATOM 365 CA GLN A 24 9.523 4.422 -8.056 1.00 1.00 C ATOM 366 C GLN A 24 9.294 3.066 -7.392 1.00 1.14 C ATOM 367 O GLN A 24 9.865 2.765 -6.361 1.00 1.33 O ATOM 368 CB GLN A 24 10.264 5.346 -7.089 1.00 1.23 C ATOM 369 CG GLN A 24 10.201 6.785 -7.607 1.00 2.56 C ATOM 370 CD GLN A 24 11.332 7.601 -6.981 1.00 2.74 C ATOM 371 OE1 GLN A 24 12.280 7.047 -6.459 1.00 2.22 O ATOM 372 NE2 GLN A 24 11.273 8.905 -7.007 1.00 3.72 N ATOM 0 H GLN A 24 7.578 5.198 -7.630 1.00 0.91 H new ATOM 0 HA GLN A 24 10.118 4.283 -8.959 1.00 1.00 H new ATOM 0 HB2 GLN A 24 9.817 5.286 -6.097 1.00 1.23 H new ATOM 0 HB3 GLN A 24 11.302 5.029 -6.990 1.00 1.23 H new ATOM 0 HG2 GLN A 24 10.288 6.796 -8.693 1.00 2.56 H new ATOM 0 HG3 GLN A 24 9.237 7.230 -7.360 1.00 2.56 H new ATOM 0 HE21 GLN A 24 10.478 9.371 -7.445 1.00 3.72 H new ATOM 0 HE22 GLN A 24 12.022 9.458 -6.590 1.00 3.72 H new ATOM 381 N LYS A 25 8.476 2.240 -7.979 1.00 1.16 N ATOM 382 CA LYS A 25 8.227 0.899 -7.385 1.00 1.38 C ATOM 383 C LYS A 25 8.528 -0.175 -8.429 1.00 1.16 C ATOM 384 O LYS A 25 7.651 -0.828 -8.957 1.00 1.55 O ATOM 385 CB LYS A 25 6.774 0.801 -6.912 1.00 2.10 C ATOM 386 CG LYS A 25 6.742 0.596 -5.390 1.00 3.77 C ATOM 387 CD LYS A 25 7.531 1.707 -4.689 1.00 5.33 C ATOM 388 CE LYS A 25 7.161 1.735 -3.204 1.00 6.83 C ATOM 389 NZ LYS A 25 6.176 2.824 -2.948 1.00 7.46 N ATOM 0 H LYS A 25 7.970 2.435 -8.843 1.00 1.16 H new ATOM 0 HA LYS A 25 8.878 0.749 -6.524 1.00 1.38 H new ATOM 0 HB2 LYS A 25 6.232 1.708 -7.179 1.00 2.10 H new ATOM 0 HB3 LYS A 25 6.273 -0.028 -7.412 1.00 2.10 H new ATOM 0 HG2 LYS A 25 5.711 0.595 -5.038 1.00 3.77 H new ATOM 0 HG3 LYS A 25 7.166 -0.376 -5.138 1.00 3.77 H new ATOM 0 HD2 LYS A 25 8.601 1.537 -4.805 1.00 5.33 H new ATOM 0 HD3 LYS A 25 7.310 2.670 -5.148 1.00 5.33 H new ATOM 0 HE2 LYS A 25 6.740 0.775 -2.907 1.00 6.83 H new ATOM 0 HE3 LYS A 25 8.055 1.892 -2.600 1.00 6.83 H new ATOM 0 HZ1 LYS A 25 6.406 3.296 -2.050 1.00 7.46 H new ATOM 0 HZ2 LYS A 25 6.215 3.517 -3.723 1.00 7.46 H new ATOM 0 HZ3 LYS A 25 5.219 2.420 -2.892 1.00 7.46 H new ATOM 403 N THR A 26 9.785 -0.350 -8.716 1.00 0.76 N ATOM 404 CA THR A 26 10.215 -1.373 -9.709 1.00 0.96 C ATOM 405 C THR A 26 11.531 -1.972 -9.216 1.00 0.84 C ATOM 406 O THR A 26 11.708 -3.172 -9.168 1.00 1.09 O ATOM 407 CB THR A 26 10.424 -0.712 -11.074 1.00 1.10 C ATOM 408 OG1 THR A 26 10.870 0.624 -10.887 1.00 1.19 O ATOM 409 CG2 THR A 26 9.103 -0.709 -11.846 1.00 2.39 C ATOM 0 H THR A 26 10.548 0.182 -8.297 1.00 0.76 H new ATOM 0 HA THR A 26 9.457 -2.149 -9.814 1.00 0.96 H new ATOM 0 HB THR A 26 11.172 -1.268 -11.639 1.00 1.10 H new ATOM 0 HG1 THR A 26 11.006 1.049 -11.760 1.00 1.19 H new ATOM 0 HG21 THR A 26 9.251 -0.239 -12.818 1.00 2.39 H new ATOM 0 HG22 THR A 26 8.762 -1.735 -11.987 1.00 2.39 H new ATOM 0 HG23 THR A 26 8.354 -0.152 -11.283 1.00 2.39 H new ATOM 417 N LEU A 27 12.446 -1.128 -8.828 1.00 0.61 N ATOM 418 CA LEU A 27 13.752 -1.608 -8.306 1.00 0.81 C ATOM 419 C LEU A 27 13.606 -1.873 -6.805 1.00 0.67 C ATOM 420 O LEU A 27 14.204 -2.780 -6.259 1.00 0.75 O ATOM 421 CB LEU A 27 14.803 -0.518 -8.539 1.00 0.94 C ATOM 422 CG LEU A 27 16.180 -1.156 -8.733 1.00 1.13 C ATOM 423 CD1 LEU A 27 16.509 -2.043 -7.532 1.00 2.26 C ATOM 424 CD2 LEU A 27 16.174 -2.006 -10.006 1.00 3.38 C ATOM 0 H LEU A 27 12.341 -0.114 -8.851 1.00 0.61 H new ATOM 0 HA LEU A 27 14.058 -2.523 -8.813 1.00 0.81 H new ATOM 0 HB2 LEU A 27 14.539 0.072 -9.416 1.00 0.94 H new ATOM 0 HB3 LEU A 27 14.825 0.165 -7.690 1.00 0.94 H new ATOM 0 HG LEU A 27 16.932 -0.372 -8.821 1.00 1.13 H new ATOM 0 HD11 LEU A 27 17.490 -2.496 -7.672 1.00 2.26 H new ATOM 0 HD12 LEU A 27 16.515 -1.439 -6.625 1.00 2.26 H new ATOM 0 HD13 LEU A 27 15.757 -2.827 -7.442 1.00 2.26 H new ATOM 0 HD21 LEU A 27 17.155 -2.461 -10.145 1.00 3.38 H new ATOM 0 HD22 LEU A 27 15.421 -2.789 -9.917 1.00 3.38 H new ATOM 0 HD23 LEU A 27 15.942 -1.375 -10.864 1.00 3.38 H new ATOM 436 N CYS A 28 12.802 -1.090 -6.139 1.00 0.50 N ATOM 437 CA CYS A 28 12.601 -1.293 -4.677 1.00 0.44 C ATOM 438 C CYS A 28 11.585 -2.418 -4.449 1.00 0.32 C ATOM 439 O CYS A 28 11.565 -3.044 -3.407 1.00 0.46 O ATOM 440 CB CYS A 28 12.082 0.002 -4.047 1.00 0.41 C ATOM 441 SG CYS A 28 13.045 0.381 -2.562 1.00 0.49 S ATOM 0 H CYS A 28 12.275 -0.317 -6.545 1.00 0.50 H new ATOM 0 HA CYS A 28 13.550 -1.565 -4.216 1.00 0.44 H new ATOM 0 HB2 CYS A 28 12.158 0.822 -4.761 1.00 0.41 H new ATOM 0 HB3 CYS A 28 11.027 -0.102 -3.792 1.00 0.41 H new ATOM 446 N THR A 29 10.745 -2.690 -5.416 1.00 0.23 N ATOM 447 CA THR A 29 9.742 -3.782 -5.248 1.00 0.21 C ATOM 448 C THR A 29 10.437 -5.152 -5.266 1.00 0.28 C ATOM 449 O THR A 29 9.828 -6.164 -4.978 1.00 0.59 O ATOM 450 CB THR A 29 8.719 -3.716 -6.382 1.00 0.28 C ATOM 451 OG1 THR A 29 9.381 -3.887 -7.626 1.00 0.55 O ATOM 452 CG2 THR A 29 8.020 -2.358 -6.353 1.00 0.25 C ATOM 0 H THR A 29 10.711 -2.204 -6.312 1.00 0.23 H new ATOM 0 HA THR A 29 9.238 -3.653 -4.290 1.00 0.21 H new ATOM 0 HB THR A 29 7.980 -4.507 -6.256 1.00 0.28 H new ATOM 0 HG1 THR A 29 8.726 -3.846 -8.354 1.00 0.55 H new ATOM 0 HG21 THR A 29 7.290 -2.307 -7.161 1.00 0.25 H new ATOM 0 HG22 THR A 29 7.513 -2.230 -5.397 1.00 0.25 H new ATOM 0 HG23 THR A 29 8.758 -1.566 -6.481 1.00 0.25 H new ATOM 460 N GLU A 30 11.703 -5.199 -5.595 1.00 0.35 N ATOM 461 CA GLU A 30 12.427 -6.499 -5.621 1.00 0.33 C ATOM 462 C GLU A 30 12.464 -7.127 -4.213 1.00 0.42 C ATOM 463 O GLU A 30 12.786 -8.288 -4.057 1.00 1.16 O ATOM 464 CB GLU A 30 13.853 -6.248 -6.118 1.00 0.30 C ATOM 465 CG GLU A 30 14.627 -5.456 -5.064 1.00 1.32 C ATOM 466 CD GLU A 30 16.022 -5.124 -5.600 1.00 1.54 C ATOM 467 OE1 GLU A 30 16.191 -5.144 -6.808 1.00 1.49 O ATOM 468 OE2 GLU A 30 16.897 -4.858 -4.793 1.00 2.34 O ATOM 0 H GLU A 30 12.266 -4.387 -5.847 1.00 0.35 H new ATOM 0 HA GLU A 30 11.912 -7.191 -6.287 1.00 0.33 H new ATOM 0 HB2 GLU A 30 14.353 -7.196 -6.316 1.00 0.30 H new ATOM 0 HB3 GLU A 30 13.830 -5.697 -7.058 1.00 0.30 H new ATOM 0 HG2 GLU A 30 14.092 -4.539 -4.817 1.00 1.32 H new ATOM 0 HG3 GLU A 30 14.707 -6.035 -4.144 1.00 1.32 H new ATOM 475 N LEU A 31 12.131 -6.378 -3.187 1.00 0.49 N ATOM 476 CA LEU A 31 12.142 -6.939 -1.810 1.00 0.57 C ATOM 477 C LEU A 31 10.788 -7.590 -1.531 1.00 0.85 C ATOM 478 O LEU A 31 9.908 -6.984 -0.952 1.00 1.73 O ATOM 479 CB LEU A 31 12.390 -5.816 -0.798 1.00 0.66 C ATOM 480 CG LEU A 31 13.685 -5.081 -1.150 1.00 0.79 C ATOM 481 CD1 LEU A 31 13.527 -3.590 -0.849 1.00 1.30 C ATOM 482 CD2 LEU A 31 14.834 -5.646 -0.311 1.00 0.95 C ATOM 0 H LEU A 31 11.852 -5.399 -3.251 1.00 0.49 H new ATOM 0 HA LEU A 31 12.935 -7.681 -1.720 1.00 0.57 H new ATOM 0 HB2 LEU A 31 11.552 -5.119 -0.802 1.00 0.66 H new ATOM 0 HB3 LEU A 31 12.457 -6.229 0.209 1.00 0.66 H new ATOM 0 HG LEU A 31 13.901 -5.217 -2.210 1.00 0.79 H new ATOM 0 HD11 LEU A 31 14.450 -3.068 -1.100 1.00 1.30 H new ATOM 0 HD12 LEU A 31 12.708 -3.184 -1.442 1.00 1.30 H new ATOM 0 HD13 LEU A 31 13.310 -3.454 0.210 1.00 1.30 H new ATOM 0 HD21 LEU A 31 15.758 -5.124 -0.560 1.00 0.95 H new ATOM 0 HD22 LEU A 31 14.614 -5.508 0.748 1.00 0.95 H new ATOM 0 HD23 LEU A 31 14.950 -6.709 -0.522 1.00 0.95 H new ATOM 494 N THR A 32 10.641 -8.814 -1.970 1.00 0.52 N ATOM 495 CA THR A 32 9.365 -9.598 -1.792 1.00 0.61 C ATOM 496 C THR A 32 8.650 -9.231 -0.482 1.00 0.55 C ATOM 497 O THR A 32 9.276 -8.973 0.528 1.00 0.47 O ATOM 498 CB THR A 32 9.708 -11.092 -1.773 1.00 0.70 C ATOM 499 OG1 THR A 32 10.972 -11.274 -1.148 1.00 0.69 O ATOM 500 CG2 THR A 32 9.767 -11.624 -3.207 1.00 0.90 C ATOM 0 H THR A 32 11.374 -9.325 -2.462 1.00 0.52 H new ATOM 0 HA THR A 32 8.696 -9.359 -2.619 1.00 0.61 H new ATOM 0 HB THR A 32 8.942 -11.635 -1.219 1.00 0.70 H new ATOM 0 HG1 THR A 32 11.195 -12.228 -1.132 1.00 0.69 H new ATOM 0 HG21 THR A 32 10.011 -12.686 -3.191 1.00 0.90 H new ATOM 0 HG22 THR A 32 8.799 -11.481 -3.688 1.00 0.90 H new ATOM 0 HG23 THR A 32 10.533 -11.084 -3.764 1.00 0.90 H new ATOM 508 N VAL A 33 7.340 -9.196 -0.498 1.00 0.68 N ATOM 509 CA VAL A 33 6.582 -8.835 0.734 1.00 0.67 C ATOM 510 C VAL A 33 5.545 -9.937 1.057 1.00 0.64 C ATOM 511 O VAL A 33 5.914 -11.035 1.425 1.00 1.11 O ATOM 512 CB VAL A 33 5.905 -7.477 0.514 1.00 0.66 C ATOM 513 CG1 VAL A 33 6.940 -6.361 0.667 1.00 0.78 C ATOM 514 CG2 VAL A 33 5.313 -7.427 -0.897 1.00 0.73 C ATOM 0 H VAL A 33 6.764 -9.403 -1.314 1.00 0.68 H new ATOM 0 HA VAL A 33 7.257 -8.758 1.586 1.00 0.67 H new ATOM 0 HB VAL A 33 5.112 -7.343 1.249 1.00 0.66 H new ATOM 0 HG11 VAL A 33 6.459 -5.395 0.511 1.00 0.78 H new ATOM 0 HG12 VAL A 33 7.367 -6.396 1.669 1.00 0.78 H new ATOM 0 HG13 VAL A 33 7.732 -6.496 -0.070 1.00 0.78 H new ATOM 0 HG21 VAL A 33 4.831 -6.462 -1.055 1.00 0.73 H new ATOM 0 HG22 VAL A 33 6.108 -7.560 -1.630 1.00 0.73 H new ATOM 0 HG23 VAL A 33 4.577 -8.223 -1.011 1.00 0.73 H new ATOM 524 N THR A 34 4.258 -9.677 0.937 1.00 0.94 N ATOM 525 CA THR A 34 3.258 -10.736 1.259 1.00 0.80 C ATOM 526 C THR A 34 2.165 -10.755 0.185 1.00 0.61 C ATOM 527 O THR A 34 1.932 -9.774 -0.493 1.00 0.82 O ATOM 528 CB THR A 34 2.638 -10.441 2.633 1.00 0.97 C ATOM 529 OG1 THR A 34 2.912 -11.522 3.512 1.00 0.99 O ATOM 530 CG2 THR A 34 1.121 -10.259 2.508 1.00 1.03 C ATOM 0 H THR A 34 3.867 -8.785 0.633 1.00 0.94 H new ATOM 0 HA THR A 34 3.747 -11.710 1.283 1.00 0.80 H new ATOM 0 HB THR A 34 3.071 -9.521 3.026 1.00 0.97 H new ATOM 0 HG1 THR A 34 2.519 -11.337 4.391 1.00 0.99 H new ATOM 0 HG21 THR A 34 0.697 -10.051 3.490 1.00 1.03 H new ATOM 0 HG22 THR A 34 0.908 -9.427 1.837 1.00 1.03 H new ATOM 0 HG23 THR A 34 0.677 -11.170 2.107 1.00 1.03 H new ATOM 538 N ASP A 35 1.490 -11.861 0.033 1.00 0.48 N ATOM 539 CA ASP A 35 0.408 -11.942 -0.990 1.00 0.36 C ATOM 540 C ASP A 35 -0.951 -11.968 -0.286 1.00 0.41 C ATOM 541 O ASP A 35 -1.356 -12.974 0.261 1.00 0.44 O ATOM 542 CB ASP A 35 0.576 -13.220 -1.813 1.00 0.36 C ATOM 543 CG ASP A 35 0.116 -12.966 -3.250 1.00 0.26 C ATOM 544 OD1 ASP A 35 -1.066 -12.727 -3.440 1.00 1.07 O ATOM 545 OD2 ASP A 35 0.952 -13.015 -4.136 1.00 1.01 O ATOM 0 H ASP A 35 1.641 -12.713 0.573 1.00 0.48 H new ATOM 0 HA ASP A 35 0.465 -11.076 -1.649 1.00 0.36 H new ATOM 0 HB2 ASP A 35 1.619 -13.536 -1.804 1.00 0.36 H new ATOM 0 HB3 ASP A 35 -0.006 -14.029 -1.371 1.00 0.36 H new ATOM 550 N ILE A 36 -1.657 -10.871 -0.291 1.00 0.45 N ATOM 551 CA ILE A 36 -2.986 -10.842 0.381 1.00 0.52 C ATOM 552 C ILE A 36 -4.100 -11.057 -0.651 1.00 0.47 C ATOM 553 O ILE A 36 -5.239 -10.693 -0.433 1.00 0.64 O ATOM 554 CB ILE A 36 -3.173 -9.491 1.077 1.00 0.58 C ATOM 555 CG1 ILE A 36 -3.552 -8.426 0.044 1.00 0.54 C ATOM 556 CG2 ILE A 36 -1.865 -9.088 1.762 1.00 0.58 C ATOM 557 CD1 ILE A 36 -3.424 -7.037 0.673 1.00 0.61 C ATOM 0 H ILE A 36 -1.372 -9.996 -0.730 1.00 0.45 H new ATOM 0 HA ILE A 36 -3.034 -11.641 1.121 1.00 0.52 H new ATOM 0 HB ILE A 36 -3.967 -9.574 1.819 1.00 0.58 H new ATOM 0 HG12 ILE A 36 -2.903 -8.503 -0.828 1.00 0.54 H new ATOM 0 HG13 ILE A 36 -4.573 -8.587 -0.303 1.00 0.54 H new ATOM 0 HG21 ILE A 36 -1.995 -8.126 2.258 1.00 0.58 H new ATOM 0 HG22 ILE A 36 -1.593 -9.843 2.500 1.00 0.58 H new ATOM 0 HG23 ILE A 36 -1.074 -9.007 1.017 1.00 0.58 H new ATOM 0 HD11 ILE A 36 -3.694 -6.279 -0.062 1.00 0.61 H new ATOM 0 HD12 ILE A 36 -4.091 -6.964 1.532 1.00 0.61 H new ATOM 0 HD13 ILE A 36 -2.396 -6.878 0.998 1.00 0.61 H new ATOM 569 N PHE A 37 -3.787 -11.653 -1.772 1.00 0.32 N ATOM 570 CA PHE A 37 -4.831 -11.895 -2.808 1.00 0.30 C ATOM 571 C PHE A 37 -4.814 -13.371 -3.206 1.00 0.27 C ATOM 572 O PHE A 37 -4.978 -13.714 -4.359 1.00 0.12 O ATOM 573 CB PHE A 37 -4.538 -11.034 -4.039 1.00 0.31 C ATOM 574 CG PHE A 37 -4.385 -9.591 -3.621 1.00 0.23 C ATOM 575 CD1 PHE A 37 -5.498 -8.871 -3.172 1.00 0.29 C ATOM 576 CD2 PHE A 37 -3.131 -8.975 -3.685 1.00 0.14 C ATOM 577 CE1 PHE A 37 -5.356 -7.533 -2.784 1.00 0.24 C ATOM 578 CE2 PHE A 37 -2.989 -7.637 -3.298 1.00 0.06 C ATOM 579 CZ PHE A 37 -4.101 -6.916 -2.847 1.00 0.10 C ATOM 0 H PHE A 37 -2.852 -11.982 -2.014 1.00 0.32 H new ATOM 0 HA PHE A 37 -5.810 -11.634 -2.407 1.00 0.30 H new ATOM 0 HB2 PHE A 37 -3.628 -11.380 -4.529 1.00 0.31 H new ATOM 0 HB3 PHE A 37 -5.347 -11.130 -4.764 1.00 0.31 H new ATOM 0 HD1 PHE A 37 -6.466 -9.347 -3.125 1.00 0.29 H new ATOM 0 HD2 PHE A 37 -2.273 -9.531 -4.033 1.00 0.14 H new ATOM 0 HE1 PHE A 37 -6.214 -6.977 -2.436 1.00 0.24 H new ATOM 0 HE2 PHE A 37 -2.021 -7.161 -3.347 1.00 0.06 H new ATOM 0 HZ PHE A 37 -3.991 -5.884 -2.548 1.00 0.10 H new ATOM 589 N ALA A 38 -4.605 -14.249 -2.262 1.00 0.45 N ATOM 590 CA ALA A 38 -4.566 -15.701 -2.593 1.00 0.44 C ATOM 591 C ALA A 38 -5.877 -16.373 -2.177 1.00 0.50 C ATOM 592 O ALA A 38 -6.284 -17.362 -2.752 1.00 0.53 O ATOM 593 CB ALA A 38 -3.401 -16.361 -1.852 1.00 0.49 C ATOM 0 H ALA A 38 -4.460 -14.023 -1.278 1.00 0.45 H new ATOM 0 HA ALA A 38 -4.433 -15.816 -3.669 1.00 0.44 H new ATOM 0 HB1 ALA A 38 -3.371 -17.424 -2.093 1.00 0.49 H new ATOM 0 HB2 ALA A 38 -2.465 -15.894 -2.156 1.00 0.49 H new ATOM 0 HB3 ALA A 38 -3.536 -16.237 -0.778 1.00 0.49 H new ATOM 599 N ALA A 39 -6.541 -15.853 -1.181 1.00 0.55 N ATOM 600 CA ALA A 39 -7.818 -16.482 -0.738 1.00 0.60 C ATOM 601 C ALA A 39 -8.856 -15.398 -0.428 1.00 0.57 C ATOM 602 O ALA A 39 -8.804 -14.750 0.598 1.00 0.66 O ATOM 603 CB ALA A 39 -7.566 -17.314 0.520 1.00 0.78 C ATOM 0 H ALA A 39 -6.257 -15.025 -0.658 1.00 0.55 H new ATOM 0 HA ALA A 39 -8.195 -17.123 -1.535 1.00 0.60 H new ATOM 0 HB1 ALA A 39 -8.499 -17.774 0.845 1.00 0.78 H new ATOM 0 HB2 ALA A 39 -6.834 -18.092 0.301 1.00 0.78 H new ATOM 0 HB3 ALA A 39 -7.184 -16.670 1.312 1.00 0.78 H new ATOM 609 N SER A 40 -9.805 -15.208 -1.303 1.00 0.70 N ATOM 610 CA SER A 40 -10.854 -14.178 -1.056 1.00 0.80 C ATOM 611 C SER A 40 -12.186 -14.879 -0.787 1.00 0.86 C ATOM 612 O SER A 40 -12.846 -15.346 -1.696 1.00 1.28 O ATOM 613 CB SER A 40 -10.989 -13.279 -2.286 1.00 1.30 C ATOM 614 OG SER A 40 -11.152 -11.931 -1.868 1.00 1.32 O ATOM 0 H SER A 40 -9.900 -15.722 -2.179 1.00 0.70 H new ATOM 0 HA SER A 40 -10.577 -13.569 -0.195 1.00 0.80 H new ATOM 0 HB2 SER A 40 -10.105 -13.372 -2.917 1.00 1.30 H new ATOM 0 HB3 SER A 40 -11.843 -13.591 -2.887 1.00 1.30 H new ATOM 0 HG SER A 40 -11.237 -11.353 -2.655 1.00 1.32 H new ATOM 620 N LYS A 41 -12.585 -14.967 0.453 1.00 0.75 N ATOM 621 CA LYS A 41 -13.870 -15.650 0.772 1.00 1.11 C ATOM 622 C LYS A 41 -14.806 -14.690 1.510 1.00 1.11 C ATOM 623 O LYS A 41 -15.917 -14.444 1.083 1.00 1.06 O ATOM 624 CB LYS A 41 -13.592 -16.867 1.657 1.00 1.39 C ATOM 625 CG LYS A 41 -13.044 -18.007 0.797 1.00 1.34 C ATOM 626 CD LYS A 41 -14.205 -18.730 0.109 1.00 0.73 C ATOM 627 CE LYS A 41 -13.777 -20.152 -0.257 1.00 1.13 C ATOM 628 NZ LYS A 41 -13.436 -20.209 -1.707 1.00 1.32 N ATOM 0 H LYS A 41 -12.078 -14.596 1.257 1.00 0.75 H new ATOM 0 HA LYS A 41 -14.344 -15.968 -0.156 1.00 1.11 H new ATOM 0 HB2 LYS A 41 -12.875 -16.608 2.436 1.00 1.39 H new ATOM 0 HB3 LYS A 41 -14.507 -17.182 2.158 1.00 1.39 H new ATOM 0 HG2 LYS A 41 -12.353 -17.614 0.051 1.00 1.34 H new ATOM 0 HG3 LYS A 41 -12.482 -18.706 1.416 1.00 1.34 H new ATOM 0 HD2 LYS A 41 -15.072 -18.759 0.769 1.00 0.73 H new ATOM 0 HD3 LYS A 41 -14.505 -18.187 -0.787 1.00 0.73 H new ATOM 0 HE2 LYS A 41 -12.917 -20.450 0.342 1.00 1.13 H new ATOM 0 HE3 LYS A 41 -14.580 -20.854 -0.033 1.00 1.13 H new ATOM 0 HZ1 LYS A 41 -13.145 -21.175 -1.957 1.00 1.32 H new ATOM 0 HZ2 LYS A 41 -14.268 -19.941 -2.270 1.00 1.32 H new ATOM 0 HZ3 LYS A 41 -12.657 -19.550 -1.907 1.00 1.32 H new ATOM 642 N ASP A 42 -14.375 -14.153 2.620 1.00 1.23 N ATOM 643 CA ASP A 42 -15.254 -13.219 3.381 1.00 1.28 C ATOM 644 C ASP A 42 -14.517 -11.906 3.652 1.00 0.98 C ATOM 645 O ASP A 42 -14.781 -11.228 4.624 1.00 1.03 O ATOM 646 CB ASP A 42 -15.649 -13.864 4.713 1.00 1.59 C ATOM 647 CG ASP A 42 -14.900 -15.186 4.884 1.00 2.24 C ATOM 648 OD1 ASP A 42 -13.752 -15.145 5.295 1.00 3.32 O ATOM 649 OD2 ASP A 42 -15.486 -16.217 4.601 1.00 2.56 O ATOM 0 H ASP A 42 -13.457 -14.320 3.031 1.00 1.23 H new ATOM 0 HA ASP A 42 -16.147 -13.011 2.792 1.00 1.28 H new ATOM 0 HB2 ASP A 42 -15.414 -13.192 5.538 1.00 1.59 H new ATOM 0 HB3 ASP A 42 -16.725 -14.038 4.740 1.00 1.59 H new ATOM 654 N THR A 43 -13.599 -11.535 2.802 1.00 0.79 N ATOM 655 CA THR A 43 -12.858 -10.260 3.020 1.00 0.50 C ATOM 656 C THR A 43 -13.429 -9.180 2.099 1.00 0.31 C ATOM 657 O THR A 43 -13.501 -9.350 0.899 1.00 0.27 O ATOM 658 CB THR A 43 -11.373 -10.465 2.709 1.00 0.43 C ATOM 659 OG1 THR A 43 -11.238 -11.375 1.627 1.00 0.82 O ATOM 660 CG2 THR A 43 -10.666 -11.027 3.943 1.00 0.53 C ATOM 0 H THR A 43 -13.330 -12.058 1.968 1.00 0.79 H new ATOM 0 HA THR A 43 -12.967 -9.950 4.059 1.00 0.50 H new ATOM 0 HB THR A 43 -10.922 -9.510 2.438 1.00 0.43 H new ATOM 0 HG1 THR A 43 -10.288 -11.506 1.426 1.00 0.82 H new ATOM 0 HG21 THR A 43 -9.609 -11.173 3.722 1.00 0.53 H new ATOM 0 HG22 THR A 43 -10.770 -10.327 4.772 1.00 0.53 H new ATOM 0 HG23 THR A 43 -11.115 -11.982 4.216 1.00 0.53 H new ATOM 668 N THR A 44 -13.839 -8.071 2.652 1.00 0.51 N ATOM 669 CA THR A 44 -14.409 -6.985 1.805 1.00 0.55 C ATOM 670 C THR A 44 -13.299 -6.022 1.391 1.00 0.49 C ATOM 671 O THR A 44 -12.131 -6.351 1.437 1.00 0.45 O ATOM 672 CB THR A 44 -15.479 -6.228 2.596 1.00 0.67 C ATOM 673 OG1 THR A 44 -15.936 -7.038 3.671 1.00 0.95 O ATOM 674 CG2 THR A 44 -16.653 -5.890 1.676 1.00 1.05 C ATOM 0 H THR A 44 -13.804 -7.870 3.651 1.00 0.51 H new ATOM 0 HA THR A 44 -14.859 -7.420 0.913 1.00 0.55 H new ATOM 0 HB THR A 44 -15.052 -5.306 2.992 1.00 0.67 H new ATOM 0 HG1 THR A 44 -16.620 -6.553 4.178 1.00 0.95 H new ATOM 0 HG21 THR A 44 -17.414 -5.351 2.240 1.00 1.05 H new ATOM 0 HG22 THR A 44 -16.303 -5.267 0.853 1.00 1.05 H new ATOM 0 HG23 THR A 44 -17.080 -6.810 1.278 1.00 1.05 H new ATOM 682 N GLU A 45 -13.651 -4.834 0.981 1.00 0.69 N ATOM 683 CA GLU A 45 -12.613 -3.855 0.561 1.00 0.77 C ATOM 684 C GLU A 45 -11.930 -3.275 1.802 1.00 0.75 C ATOM 685 O GLU A 45 -10.729 -3.108 1.837 1.00 0.81 O ATOM 686 CB GLU A 45 -13.266 -2.727 -0.242 1.00 0.84 C ATOM 687 CG GLU A 45 -14.217 -1.934 0.658 1.00 0.85 C ATOM 688 CD GLU A 45 -15.069 -0.997 -0.201 1.00 0.83 C ATOM 689 OE1 GLU A 45 -14.951 -1.065 -1.414 1.00 1.57 O ATOM 690 OE2 GLU A 45 -15.826 -0.227 0.368 1.00 0.88 O ATOM 0 H GLU A 45 -14.613 -4.501 0.919 1.00 0.69 H new ATOM 0 HA GLU A 45 -11.871 -4.356 -0.061 1.00 0.77 H new ATOM 0 HB2 GLU A 45 -12.500 -2.067 -0.648 1.00 0.84 H new ATOM 0 HB3 GLU A 45 -13.813 -3.141 -1.089 1.00 0.84 H new ATOM 0 HG2 GLU A 45 -14.858 -2.615 1.218 1.00 0.85 H new ATOM 0 HG3 GLU A 45 -13.648 -1.359 1.389 1.00 0.85 H new ATOM 697 N LYS A 46 -12.686 -2.972 2.821 1.00 0.74 N ATOM 698 CA LYS A 46 -12.077 -2.404 4.057 1.00 0.79 C ATOM 699 C LYS A 46 -11.134 -3.435 4.680 1.00 0.74 C ATOM 700 O LYS A 46 -10.123 -3.093 5.260 1.00 0.77 O ATOM 701 CB LYS A 46 -13.185 -2.058 5.055 1.00 0.80 C ATOM 702 CG LYS A 46 -13.758 -3.345 5.650 1.00 0.62 C ATOM 703 CD LYS A 46 -15.044 -3.026 6.412 1.00 0.74 C ATOM 704 CE LYS A 46 -15.875 -4.300 6.570 1.00 1.61 C ATOM 705 NZ LYS A 46 -17.314 -3.940 6.720 1.00 1.78 N ATOM 0 H LYS A 46 -13.698 -3.093 2.851 1.00 0.74 H new ATOM 0 HA LYS A 46 -11.516 -1.503 3.807 1.00 0.79 H new ATOM 0 HB2 LYS A 46 -12.789 -1.423 5.848 1.00 0.80 H new ATOM 0 HB3 LYS A 46 -13.973 -1.493 4.558 1.00 0.80 H new ATOM 0 HG2 LYS A 46 -13.961 -4.065 4.858 1.00 0.62 H new ATOM 0 HG3 LYS A 46 -13.030 -3.804 6.319 1.00 0.62 H new ATOM 0 HD2 LYS A 46 -14.805 -2.612 7.391 1.00 0.74 H new ATOM 0 HD3 LYS A 46 -15.618 -2.269 5.877 1.00 0.74 H new ATOM 0 HE2 LYS A 46 -15.739 -4.945 5.702 1.00 1.61 H new ATOM 0 HE3 LYS A 46 -15.537 -4.862 7.441 1.00 1.61 H new ATOM 0 HZ1 LYS A 46 -17.879 -4.806 6.827 1.00 1.78 H new ATOM 0 HZ2 LYS A 46 -17.436 -3.340 7.561 1.00 1.78 H new ATOM 0 HZ3 LYS A 46 -17.632 -3.422 5.876 1.00 1.78 H new ATOM 719 N GLU A 47 -11.458 -4.693 4.566 1.00 0.68 N ATOM 720 CA GLU A 47 -10.582 -5.744 5.153 1.00 0.63 C ATOM 721 C GLU A 47 -9.322 -5.895 4.298 1.00 0.61 C ATOM 722 O GLU A 47 -8.231 -6.063 4.807 1.00 0.59 O ATOM 723 CB GLU A 47 -11.335 -7.075 5.187 1.00 0.58 C ATOM 724 CG GLU A 47 -12.335 -7.069 6.344 1.00 1.31 C ATOM 725 CD GLU A 47 -11.910 -8.099 7.392 1.00 0.56 C ATOM 726 OE1 GLU A 47 -10.820 -7.958 7.923 1.00 1.58 O ATOM 727 OE2 GLU A 47 -12.679 -9.010 7.646 1.00 1.21 O ATOM 0 H GLU A 47 -12.292 -5.038 4.091 1.00 0.68 H new ATOM 0 HA GLU A 47 -10.302 -5.458 6.167 1.00 0.63 H new ATOM 0 HB2 GLU A 47 -11.857 -7.234 4.243 1.00 0.58 H new ATOM 0 HB3 GLU A 47 -10.632 -7.899 5.305 1.00 0.58 H new ATOM 0 HG2 GLU A 47 -12.382 -6.077 6.792 1.00 1.31 H new ATOM 0 HG3 GLU A 47 -13.335 -7.300 5.976 1.00 1.31 H new ATOM 734 N THR A 48 -9.464 -5.843 3.001 1.00 0.63 N ATOM 735 CA THR A 48 -8.273 -5.990 2.117 1.00 0.63 C ATOM 736 C THR A 48 -7.333 -4.794 2.302 1.00 0.64 C ATOM 737 O THR A 48 -6.142 -4.894 2.082 1.00 0.64 O ATOM 738 CB THR A 48 -8.727 -6.063 0.656 1.00 0.64 C ATOM 739 OG1 THR A 48 -9.520 -7.227 0.467 1.00 0.64 O ATOM 740 CG2 THR A 48 -7.503 -6.123 -0.260 1.00 0.62 C ATOM 0 H THR A 48 -10.351 -5.705 2.517 1.00 0.63 H new ATOM 0 HA THR A 48 -7.743 -6.905 2.381 1.00 0.63 H new ATOM 0 HB THR A 48 -9.315 -5.178 0.413 1.00 0.64 H new ATOM 0 HG1 THR A 48 -10.437 -7.050 0.765 1.00 0.64 H new ATOM 0 HG21 THR A 48 -7.828 -6.175 -1.299 1.00 0.62 H new ATOM 0 HG22 THR A 48 -6.895 -5.230 -0.114 1.00 0.62 H new ATOM 0 HG23 THR A 48 -6.912 -7.007 -0.020 1.00 0.62 H new ATOM 748 N PHE A 49 -7.851 -3.664 2.705 1.00 0.67 N ATOM 749 CA PHE A 49 -6.971 -2.475 2.900 1.00 0.70 C ATOM 750 C PHE A 49 -6.283 -2.568 4.263 1.00 0.66 C ATOM 751 O PHE A 49 -5.151 -2.159 4.422 1.00 0.60 O ATOM 752 CB PHE A 49 -7.805 -1.191 2.835 1.00 0.87 C ATOM 753 CG PHE A 49 -8.356 -1.004 1.438 1.00 0.94 C ATOM 754 CD1 PHE A 49 -7.532 -1.195 0.320 1.00 1.52 C ATOM 755 CD2 PHE A 49 -9.697 -0.643 1.261 1.00 0.90 C ATOM 756 CE1 PHE A 49 -8.050 -1.024 -0.968 1.00 1.68 C ATOM 757 CE2 PHE A 49 -10.214 -0.473 -0.028 1.00 0.93 C ATOM 758 CZ PHE A 49 -9.391 -0.664 -1.142 1.00 1.20 C ATOM 0 H PHE A 49 -8.839 -3.513 2.907 1.00 0.67 H new ATOM 0 HA PHE A 49 -6.219 -2.453 2.111 1.00 0.70 H new ATOM 0 HB2 PHE A 49 -8.623 -1.242 3.554 1.00 0.87 H new ATOM 0 HB3 PHE A 49 -7.191 -0.334 3.111 1.00 0.87 H new ATOM 0 HD1 PHE A 49 -6.497 -1.474 0.453 1.00 1.52 H new ATOM 0 HD2 PHE A 49 -10.334 -0.495 2.121 1.00 0.90 H new ATOM 0 HE1 PHE A 49 -7.414 -1.170 -1.829 1.00 1.68 H new ATOM 0 HE2 PHE A 49 -11.249 -0.194 -0.162 1.00 0.93 H new ATOM 0 HZ PHE A 49 -9.790 -0.534 -2.137 1.00 1.20 H new ATOM 768 N CYS A 50 -6.951 -3.109 5.246 1.00 0.72 N ATOM 769 CA CYS A 50 -6.322 -3.232 6.592 1.00 0.73 C ATOM 770 C CYS A 50 -5.197 -4.270 6.521 1.00 0.65 C ATOM 771 O CYS A 50 -4.204 -4.175 7.218 1.00 0.61 O ATOM 772 CB CYS A 50 -7.382 -3.656 7.615 1.00 0.85 C ATOM 773 SG CYS A 50 -7.199 -5.412 8.011 1.00 1.61 S ATOM 0 H CYS A 50 -7.902 -3.470 5.175 1.00 0.72 H new ATOM 0 HA CYS A 50 -5.905 -2.274 6.902 1.00 0.73 H new ATOM 0 HB2 CYS A 50 -7.283 -3.059 8.521 1.00 0.85 H new ATOM 0 HB3 CYS A 50 -8.379 -3.467 7.216 1.00 0.85 H new ATOM 778 N ARG A 51 -5.334 -5.252 5.667 1.00 0.72 N ATOM 779 CA ARG A 51 -4.263 -6.277 5.542 1.00 0.65 C ATOM 780 C ARG A 51 -3.075 -5.644 4.822 1.00 0.55 C ATOM 781 O ARG A 51 -1.955 -5.687 5.291 1.00 0.50 O ATOM 782 CB ARG A 51 -4.781 -7.468 4.733 1.00 0.66 C ATOM 783 CG ARG A 51 -5.138 -8.611 5.686 1.00 0.54 C ATOM 784 CD ARG A 51 -6.507 -9.181 5.309 1.00 0.85 C ATOM 785 NE ARG A 51 -6.469 -10.680 5.375 1.00 0.75 N ATOM 786 CZ ARG A 51 -5.568 -11.383 4.729 1.00 1.17 C ATOM 787 NH1 ARG A 51 -4.787 -10.833 3.831 1.00 2.73 N ATOM 788 NH2 ARG A 51 -5.492 -12.669 4.940 1.00 1.23 N ATOM 0 H ARG A 51 -6.139 -5.385 5.055 1.00 0.72 H new ATOM 0 HA ARG A 51 -3.961 -6.627 6.529 1.00 0.65 H new ATOM 0 HB2 ARG A 51 -5.657 -7.175 4.154 1.00 0.66 H new ATOM 0 HB3 ARG A 51 -4.023 -7.796 4.021 1.00 0.66 H new ATOM 0 HG2 ARG A 51 -4.380 -9.392 5.634 1.00 0.54 H new ATOM 0 HG3 ARG A 51 -5.153 -8.250 6.714 1.00 0.54 H new ATOM 0 HD2 ARG A 51 -7.270 -8.797 5.986 1.00 0.85 H new ATOM 0 HD3 ARG A 51 -6.781 -8.859 4.304 1.00 0.85 H new ATOM 0 HE ARG A 51 -7.165 -11.168 5.939 1.00 0.75 H new ATOM 0 HH11 ARG A 51 -4.872 -9.838 3.622 1.00 2.73 H new ATOM 0 HH12 ARG A 51 -4.094 -11.400 3.342 1.00 2.73 H new ATOM 0 HH21 ARG A 51 -6.128 -13.116 5.600 1.00 1.23 H new ATOM 0 HH22 ARG A 51 -4.796 -13.227 4.445 1.00 1.23 H new ATOM 802 N ALA A 52 -3.318 -5.037 3.693 1.00 0.53 N ATOM 803 CA ALA A 52 -2.213 -4.377 2.949 1.00 0.44 C ATOM 804 C ALA A 52 -1.608 -3.269 3.821 1.00 0.32 C ATOM 805 O ALA A 52 -0.492 -2.842 3.605 1.00 0.26 O ATOM 806 CB ALA A 52 -2.758 -3.770 1.656 1.00 0.48 C ATOM 0 H ALA A 52 -4.236 -4.971 3.254 1.00 0.53 H new ATOM 0 HA ALA A 52 -1.445 -5.112 2.706 1.00 0.44 H new ATOM 0 HB1 ALA A 52 -1.947 -3.286 1.111 1.00 0.48 H new ATOM 0 HB2 ALA A 52 -3.191 -4.557 1.039 1.00 0.48 H new ATOM 0 HB3 ALA A 52 -3.525 -3.033 1.895 1.00 0.48 H new ATOM 812 N ALA A 53 -2.333 -2.802 4.808 1.00 0.31 N ATOM 813 CA ALA A 53 -1.790 -1.734 5.690 1.00 0.23 C ATOM 814 C ALA A 53 -0.704 -2.332 6.581 1.00 0.27 C ATOM 815 O ALA A 53 0.371 -1.783 6.714 1.00 0.30 O ATOM 816 CB ALA A 53 -2.914 -1.170 6.562 1.00 0.23 C ATOM 0 H ALA A 53 -3.276 -3.117 5.037 1.00 0.31 H new ATOM 0 HA ALA A 53 -1.370 -0.932 5.083 1.00 0.23 H new ATOM 0 HB1 ALA A 53 -2.516 -0.388 7.208 1.00 0.23 H new ATOM 0 HB2 ALA A 53 -3.694 -0.753 5.925 1.00 0.23 H new ATOM 0 HB3 ALA A 53 -3.334 -1.968 7.175 1.00 0.23 H new ATOM 822 N THR A 54 -0.970 -3.457 7.189 1.00 0.36 N ATOM 823 CA THR A 54 0.060 -4.089 8.062 1.00 0.40 C ATOM 824 C THR A 54 1.294 -4.410 7.216 1.00 0.42 C ATOM 825 O THR A 54 2.413 -4.090 7.577 1.00 0.42 O ATOM 826 CB THR A 54 -0.498 -5.379 8.666 1.00 0.48 C ATOM 827 OG1 THR A 54 -1.133 -5.084 9.903 1.00 0.36 O ATOM 828 CG2 THR A 54 0.643 -6.368 8.899 1.00 0.58 C ATOM 0 H THR A 54 -1.852 -3.964 7.119 1.00 0.36 H new ATOM 0 HA THR A 54 0.330 -3.407 8.868 1.00 0.40 H new ATOM 0 HB THR A 54 -1.223 -5.819 7.981 1.00 0.48 H new ATOM 0 HG1 THR A 54 -1.493 -5.909 10.291 1.00 0.36 H new ATOM 0 HG21 THR A 54 0.246 -7.287 9.329 1.00 0.58 H new ATOM 0 HG22 THR A 54 1.129 -6.592 7.950 1.00 0.58 H new ATOM 0 HG23 THR A 54 1.369 -5.931 9.584 1.00 0.58 H new ATOM 836 N VAL A 55 1.098 -5.028 6.083 1.00 0.44 N ATOM 837 CA VAL A 55 2.253 -5.354 5.203 1.00 0.46 C ATOM 838 C VAL A 55 2.924 -4.051 4.755 1.00 0.43 C ATOM 839 O VAL A 55 4.098 -4.021 4.447 1.00 0.51 O ATOM 840 CB VAL A 55 1.762 -6.127 3.977 1.00 0.48 C ATOM 841 CG1 VAL A 55 2.905 -6.264 2.968 1.00 0.49 C ATOM 842 CG2 VAL A 55 1.297 -7.521 4.405 1.00 0.40 C ATOM 0 H VAL A 55 0.187 -5.321 5.730 1.00 0.44 H new ATOM 0 HA VAL A 55 2.970 -5.967 5.749 1.00 0.46 H new ATOM 0 HB VAL A 55 0.932 -5.589 3.519 1.00 0.48 H new ATOM 0 HG11 VAL A 55 2.555 -6.815 2.095 1.00 0.49 H new ATOM 0 HG12 VAL A 55 3.241 -5.273 2.662 1.00 0.49 H new ATOM 0 HG13 VAL A 55 3.734 -6.802 3.428 1.00 0.49 H new ATOM 0 HG21 VAL A 55 0.947 -8.072 3.532 1.00 0.40 H new ATOM 0 HG22 VAL A 55 2.128 -8.057 4.863 1.00 0.40 H new ATOM 0 HG23 VAL A 55 0.484 -7.428 5.125 1.00 0.40 H new ATOM 852 N LEU A 56 2.186 -2.971 4.724 1.00 0.34 N ATOM 853 CA LEU A 56 2.781 -1.670 4.308 1.00 0.31 C ATOM 854 C LEU A 56 3.709 -1.176 5.415 1.00 0.30 C ATOM 855 O LEU A 56 4.709 -0.535 5.162 1.00 0.37 O ATOM 856 CB LEU A 56 1.664 -0.648 4.081 1.00 0.24 C ATOM 857 CG LEU A 56 1.650 -0.223 2.612 1.00 0.19 C ATOM 858 CD1 LEU A 56 0.914 -1.276 1.784 1.00 0.17 C ATOM 859 CD2 LEU A 56 0.933 1.123 2.477 1.00 0.59 C ATOM 0 H LEU A 56 1.197 -2.936 4.969 1.00 0.34 H new ATOM 0 HA LEU A 56 3.344 -1.797 3.383 1.00 0.31 H new ATOM 0 HB2 LEU A 56 0.701 -1.079 4.355 1.00 0.24 H new ATOM 0 HB3 LEU A 56 1.817 0.221 4.720 1.00 0.24 H new ATOM 0 HG LEU A 56 2.674 -0.128 2.252 1.00 0.19 H new ATOM 0 HD11 LEU A 56 0.904 -0.974 0.737 1.00 0.17 H new ATOM 0 HD12 LEU A 56 1.423 -2.235 1.880 1.00 0.17 H new ATOM 0 HD13 LEU A 56 -0.110 -1.371 2.144 1.00 0.17 H new ATOM 0 HD21 LEU A 56 0.923 1.426 1.430 1.00 0.59 H new ATOM 0 HD22 LEU A 56 -0.091 1.027 2.837 1.00 0.59 H new ATOM 0 HD23 LEU A 56 1.456 1.875 3.068 1.00 0.59 H new ATOM 871 N ARG A 57 3.389 -1.479 6.644 1.00 0.26 N ATOM 872 CA ARG A 57 4.254 -1.041 7.773 1.00 0.33 C ATOM 873 C ARG A 57 5.592 -1.772 7.676 1.00 0.51 C ATOM 874 O ARG A 57 6.643 -1.195 7.871 1.00 0.64 O ATOM 875 CB ARG A 57 3.576 -1.384 9.100 1.00 0.22 C ATOM 876 CG ARG A 57 4.380 -0.785 10.257 1.00 0.58 C ATOM 877 CD ARG A 57 3.479 -0.639 11.483 1.00 0.28 C ATOM 878 NE ARG A 57 3.400 0.804 11.880 1.00 1.12 N ATOM 879 CZ ARG A 57 4.479 1.530 12.067 1.00 2.61 C ATOM 880 NH1 ARG A 57 5.666 0.981 12.149 1.00 3.87 N ATOM 881 NH2 ARG A 57 4.357 2.817 12.247 1.00 3.36 N ATOM 0 H ARG A 57 2.563 -2.013 6.914 1.00 0.26 H new ATOM 0 HA ARG A 57 4.415 0.036 7.724 1.00 0.33 H new ATOM 0 HB2 ARG A 57 2.558 -0.995 9.111 1.00 0.22 H new ATOM 0 HB3 ARG A 57 3.505 -2.466 9.215 1.00 0.22 H new ATOM 0 HG2 ARG A 57 5.231 -1.425 10.492 1.00 0.58 H new ATOM 0 HG3 ARG A 57 4.782 0.187 9.970 1.00 0.58 H new ATOM 0 HD2 ARG A 57 2.482 -1.021 11.262 1.00 0.28 H new ATOM 0 HD3 ARG A 57 3.872 -1.233 12.308 1.00 0.28 H new ATOM 0 HE ARG A 57 2.484 1.234 12.008 1.00 1.12 H new ATOM 0 HH11 ARG A 57 5.767 -0.031 12.067 1.00 3.87 H new ATOM 0 HH12 ARG A 57 6.489 1.565 12.294 1.00 3.87 H new ATOM 0 HH21 ARG A 57 3.432 3.247 12.241 1.00 3.36 H new ATOM 0 HH22 ARG A 57 5.186 3.392 12.393 1.00 3.36 H new ATOM 895 N GLN A 58 5.561 -3.040 7.366 1.00 0.57 N ATOM 896 CA GLN A 58 6.835 -3.805 7.243 1.00 0.76 C ATOM 897 C GLN A 58 7.596 -3.320 6.005 1.00 0.85 C ATOM 898 O GLN A 58 8.809 -3.345 5.960 1.00 0.97 O ATOM 899 CB GLN A 58 6.529 -5.297 7.103 1.00 0.83 C ATOM 900 CG GLN A 58 6.854 -6.011 8.416 1.00 0.95 C ATOM 901 CD GLN A 58 6.013 -5.413 9.543 1.00 2.33 C ATOM 902 OE1 GLN A 58 6.447 -4.508 10.227 1.00 3.13 O ATOM 903 NE2 GLN A 58 4.816 -5.883 9.767 1.00 3.64 N ATOM 0 H GLN A 58 4.712 -3.578 7.193 1.00 0.57 H new ATOM 0 HA GLN A 58 7.443 -3.646 8.134 1.00 0.76 H new ATOM 0 HB2 GLN A 58 5.479 -5.441 6.849 1.00 0.83 H new ATOM 0 HB3 GLN A 58 7.115 -5.724 6.290 1.00 0.83 H new ATOM 0 HG2 GLN A 58 6.650 -7.078 8.322 1.00 0.95 H new ATOM 0 HG3 GLN A 58 7.915 -5.908 8.645 1.00 0.95 H new ATOM 0 HE21 GLN A 58 4.451 -6.643 9.193 1.00 3.64 H new ATOM 0 HE22 GLN A 58 4.246 -5.490 10.516 1.00 3.64 H new ATOM 912 N PHE A 59 6.890 -2.875 5.002 1.00 0.79 N ATOM 913 CA PHE A 59 7.562 -2.381 3.765 1.00 0.87 C ATOM 914 C PHE A 59 7.950 -0.900 3.937 1.00 0.90 C ATOM 915 O PHE A 59 8.680 -0.347 3.140 1.00 1.19 O ATOM 916 CB PHE A 59 6.593 -2.553 2.582 1.00 1.25 C ATOM 917 CG PHE A 59 6.658 -1.358 1.655 1.00 0.73 C ATOM 918 CD1 PHE A 59 5.856 -0.234 1.898 1.00 1.64 C ATOM 919 CD2 PHE A 59 7.516 -1.377 0.548 1.00 0.34 C ATOM 920 CE1 PHE A 59 5.915 0.866 1.037 1.00 2.11 C ATOM 921 CE2 PHE A 59 7.574 -0.274 -0.312 1.00 0.92 C ATOM 922 CZ PHE A 59 6.773 0.847 -0.067 1.00 1.74 C ATOM 0 H PHE A 59 5.871 -2.832 4.985 1.00 0.79 H new ATOM 0 HA PHE A 59 8.472 -2.951 3.576 1.00 0.87 H new ATOM 0 HB2 PHE A 59 6.842 -3.460 2.031 1.00 1.25 H new ATOM 0 HB3 PHE A 59 5.576 -2.675 2.954 1.00 1.25 H new ATOM 0 HD1 PHE A 59 5.193 -0.218 2.750 1.00 1.64 H new ATOM 0 HD2 PHE A 59 8.133 -2.243 0.358 1.00 0.34 H new ATOM 0 HE1 PHE A 59 5.297 1.732 1.225 1.00 2.11 H new ATOM 0 HE2 PHE A 59 8.237 -0.288 -1.165 1.00 0.92 H new ATOM 0 HZ PHE A 59 6.818 1.698 -0.731 1.00 1.74 H new ATOM 932 N TYR A 60 7.471 -0.251 4.970 1.00 0.92 N ATOM 933 CA TYR A 60 7.810 1.187 5.179 1.00 0.93 C ATOM 934 C TYR A 60 9.069 1.323 6.045 1.00 0.82 C ATOM 935 O TYR A 60 10.048 1.917 5.639 1.00 1.57 O ATOM 936 CB TYR A 60 6.624 1.869 5.873 1.00 1.30 C ATOM 937 CG TYR A 60 7.103 2.912 6.858 1.00 0.46 C ATOM 938 CD1 TYR A 60 7.854 4.011 6.419 1.00 1.05 C ATOM 939 CD2 TYR A 60 6.778 2.785 8.215 1.00 0.83 C ATOM 940 CE1 TYR A 60 8.278 4.980 7.336 1.00 1.56 C ATOM 941 CE2 TYR A 60 7.205 3.753 9.131 1.00 1.43 C ATOM 942 CZ TYR A 60 7.954 4.851 8.692 1.00 1.70 C ATOM 943 OH TYR A 60 8.372 5.807 9.596 1.00 2.60 O ATOM 0 H TYR A 60 6.859 -0.658 5.677 1.00 0.92 H new ATOM 0 HA TYR A 60 8.007 1.659 4.217 1.00 0.93 H new ATOM 0 HB2 TYR A 60 5.980 2.336 5.127 1.00 1.30 H new ATOM 0 HB3 TYR A 60 6.022 1.122 6.391 1.00 1.30 H new ATOM 0 HD1 TYR A 60 8.106 4.110 5.373 1.00 1.05 H new ATOM 0 HD2 TYR A 60 6.198 1.940 8.554 1.00 0.83 H new ATOM 0 HE1 TYR A 60 8.855 5.828 6.997 1.00 1.56 H new ATOM 0 HE2 TYR A 60 6.956 3.653 10.177 1.00 1.43 H new ATOM 0 HH TYR A 60 8.062 5.566 10.494 1.00 2.60 H new ATOM 953 N SER A 61 9.042 0.802 7.240 1.00 0.17 N ATOM 954 CA SER A 61 10.226 0.929 8.141 1.00 0.68 C ATOM 955 C SER A 61 11.416 0.125 7.604 1.00 0.88 C ATOM 956 O SER A 61 12.550 0.378 7.961 1.00 1.06 O ATOM 957 CB SER A 61 9.858 0.413 9.532 1.00 0.91 C ATOM 958 OG SER A 61 11.015 0.430 10.359 1.00 2.07 O ATOM 0 H SER A 61 8.251 0.293 7.634 1.00 0.17 H new ATOM 0 HA SER A 61 10.512 1.980 8.189 1.00 0.68 H new ATOM 0 HB2 SER A 61 9.076 1.034 9.968 1.00 0.91 H new ATOM 0 HB3 SER A 61 9.460 -0.599 9.464 1.00 0.91 H new ATOM 0 HG SER A 61 10.783 0.101 11.253 1.00 2.07 H new ATOM 964 N HIS A 62 11.181 -0.847 6.765 1.00 1.06 N ATOM 965 CA HIS A 62 12.322 -1.655 6.240 1.00 1.41 C ATOM 966 C HIS A 62 12.897 -1.006 4.977 1.00 1.37 C ATOM 967 O HIS A 62 14.090 -0.793 4.870 1.00 1.41 O ATOM 968 CB HIS A 62 11.841 -3.069 5.913 1.00 1.78 C ATOM 969 CG HIS A 62 12.930 -4.057 6.233 1.00 2.52 C ATOM 970 ND1 HIS A 62 14.268 -3.696 6.274 1.00 2.94 N ATOM 971 CD2 HIS A 62 12.895 -5.396 6.531 1.00 3.50 C ATOM 972 CE1 HIS A 62 14.976 -4.797 6.588 1.00 3.80 C ATOM 973 NE2 HIS A 62 14.187 -5.862 6.755 1.00 4.13 N ATOM 0 H HIS A 62 10.259 -1.116 6.422 1.00 1.06 H new ATOM 0 HA HIS A 62 13.101 -1.699 7.001 1.00 1.41 H new ATOM 0 HB2 HIS A 62 10.944 -3.301 6.488 1.00 1.78 H new ATOM 0 HB3 HIS A 62 11.571 -3.138 4.859 1.00 1.78 H new ATOM 0 HD2 HIS A 62 12.000 -5.998 6.584 1.00 3.50 H new ATOM 0 HE1 HIS A 62 16.051 -4.817 6.692 1.00 3.80 H new ATOM 0 HE2 HIS A 62 14.470 -6.812 6.995 1.00 4.13 H new ATOM 981 N HIS A 63 12.068 -0.695 4.019 1.00 1.37 N ATOM 982 CA HIS A 63 12.584 -0.068 2.766 1.00 1.42 C ATOM 983 C HIS A 63 13.297 1.243 3.104 1.00 0.87 C ATOM 984 O HIS A 63 14.255 1.622 2.459 1.00 0.94 O ATOM 985 CB HIS A 63 11.421 0.216 1.815 1.00 1.89 C ATOM 986 CG HIS A 63 11.068 -1.038 1.063 1.00 2.23 C ATOM 987 ND1 HIS A 63 10.657 -1.016 -0.260 1.00 3.83 N ATOM 988 CD2 HIS A 63 11.065 -2.361 1.435 1.00 1.40 C ATOM 989 CE1 HIS A 63 10.426 -2.288 -0.635 1.00 3.81 C ATOM 990 NE2 HIS A 63 10.659 -3.147 0.361 1.00 2.36 N ATOM 0 H HIS A 63 11.060 -0.846 4.047 1.00 1.37 H new ATOM 0 HA HIS A 63 13.286 -0.750 2.286 1.00 1.42 H new ATOM 0 HB2 HIS A 63 10.557 0.571 2.377 1.00 1.89 H new ATOM 0 HB3 HIS A 63 11.694 1.007 1.116 1.00 1.89 H new ATOM 0 HD1 HIS A 63 10.549 -0.187 -0.844 1.00 3.83 H new ATOM 0 HD2 HIS A 63 11.336 -2.734 2.412 1.00 1.40 H new ATOM 0 HE1 HIS A 63 10.093 -2.578 -1.620 1.00 3.81 H new ATOM 998 N GLU A 64 12.837 1.941 4.106 1.00 0.78 N ATOM 999 CA GLU A 64 13.490 3.229 4.475 1.00 0.50 C ATOM 1000 C GLU A 64 14.832 2.948 5.156 1.00 0.63 C ATOM 1001 O GLU A 64 15.758 3.731 5.070 1.00 1.22 O ATOM 1002 CB GLU A 64 12.587 4.002 5.436 1.00 0.50 C ATOM 1003 CG GLU A 64 13.263 5.321 5.819 1.00 0.84 C ATOM 1004 CD GLU A 64 13.450 5.382 7.336 1.00 1.09 C ATOM 1005 OE1 GLU A 64 13.675 4.338 7.929 1.00 2.02 O ATOM 1006 OE2 GLU A 64 13.365 6.470 7.880 1.00 1.39 O ATOM 0 H GLU A 64 12.039 1.676 4.684 1.00 0.78 H new ATOM 0 HA GLU A 64 13.656 3.820 3.574 1.00 0.50 H new ATOM 0 HB2 GLU A 64 11.622 4.198 4.968 1.00 0.50 H new ATOM 0 HB3 GLU A 64 12.394 3.407 6.329 1.00 0.50 H new ATOM 0 HG2 GLU A 64 14.229 5.404 5.320 1.00 0.84 H new ATOM 0 HG3 GLU A 64 12.657 6.162 5.483 1.00 0.84 H new ATOM 1013 N LYS A 65 14.944 1.840 5.834 1.00 0.93 N ATOM 1014 CA LYS A 65 16.226 1.515 6.519 1.00 1.68 C ATOM 1015 C LYS A 65 16.876 0.307 5.841 1.00 1.74 C ATOM 1016 O LYS A 65 17.433 -0.557 6.489 1.00 2.37 O ATOM 1017 CB LYS A 65 15.949 1.190 7.991 1.00 2.36 C ATOM 1018 CG LYS A 65 16.882 2.017 8.878 1.00 2.61 C ATOM 1019 CD LYS A 65 16.278 3.405 9.100 1.00 2.03 C ATOM 1020 CE LYS A 65 17.344 4.344 9.668 1.00 1.67 C ATOM 1021 NZ LYS A 65 17.788 5.294 8.607 1.00 1.19 N ATOM 0 H LYS A 65 14.204 1.146 5.943 1.00 0.93 H new ATOM 0 HA LYS A 65 16.899 2.370 6.456 1.00 1.68 H new ATOM 0 HB2 LYS A 65 14.909 1.409 8.234 1.00 2.36 H new ATOM 0 HB3 LYS A 65 16.102 0.127 8.175 1.00 2.36 H new ATOM 0 HG2 LYS A 65 17.030 1.516 9.835 1.00 2.61 H new ATOM 0 HG3 LYS A 65 17.862 2.106 8.410 1.00 2.61 H new ATOM 0 HD2 LYS A 65 15.895 3.800 8.159 1.00 2.03 H new ATOM 0 HD3 LYS A 65 15.434 3.340 9.786 1.00 2.03 H new ATOM 0 HE2 LYS A 65 16.943 4.894 10.519 1.00 1.67 H new ATOM 0 HE3 LYS A 65 18.194 3.768 10.034 1.00 1.67 H new ATOM 0 HZ1 LYS A 65 18.513 5.932 8.993 1.00 1.19 H new ATOM 0 HZ2 LYS A 65 18.187 4.761 7.808 1.00 1.19 H new ATOM 0 HZ3 LYS A 65 16.974 5.853 8.279 1.00 1.19 H new ATOM 1035 N ASP A 66 16.811 0.240 4.539 1.00 1.14 N ATOM 1036 CA ASP A 66 17.425 -0.912 3.819 1.00 1.32 C ATOM 1037 C ASP A 66 18.532 -0.403 2.893 1.00 1.10 C ATOM 1038 O ASP A 66 18.340 0.523 2.130 1.00 0.89 O ATOM 1039 CB ASP A 66 16.356 -1.626 2.992 1.00 1.30 C ATOM 1040 CG ASP A 66 15.762 -2.775 3.807 1.00 1.97 C ATOM 1041 OD1 ASP A 66 16.519 -3.440 4.496 1.00 1.16 O ATOM 1042 OD2 ASP A 66 14.560 -2.971 3.730 1.00 3.53 O ATOM 0 H ASP A 66 16.359 0.933 3.943 1.00 1.14 H new ATOM 0 HA ASP A 66 17.848 -1.609 4.543 1.00 1.32 H new ATOM 0 HB2 ASP A 66 15.572 -0.924 2.708 1.00 1.30 H new ATOM 0 HB3 ASP A 66 16.791 -2.008 2.068 1.00 1.30 H new ATOM 1047 N THR A 67 19.689 -1.002 2.953 1.00 1.21 N ATOM 1048 CA THR A 67 20.809 -0.555 2.076 1.00 1.16 C ATOM 1049 C THR A 67 20.619 -1.110 0.658 1.00 0.94 C ATOM 1050 O THR A 67 21.168 -0.595 -0.296 1.00 0.90 O ATOM 1051 CB THR A 67 22.133 -1.068 2.648 1.00 1.42 C ATOM 1052 OG1 THR A 67 22.064 -1.075 4.067 1.00 2.17 O ATOM 1053 CG2 THR A 67 23.273 -0.155 2.196 1.00 0.66 C ATOM 0 H THR A 67 19.908 -1.783 3.572 1.00 1.21 H new ATOM 0 HA THR A 67 20.820 0.534 2.035 1.00 1.16 H new ATOM 0 HB THR A 67 22.316 -2.080 2.288 1.00 1.42 H new ATOM 0 HG1 THR A 67 22.911 -1.405 4.434 1.00 2.17 H new ATOM 0 HG21 THR A 67 24.215 -0.521 2.604 1.00 0.66 H new ATOM 0 HG22 THR A 67 23.326 -0.151 1.107 1.00 0.66 H new ATOM 0 HG23 THR A 67 23.092 0.858 2.554 1.00 0.66 H new ATOM 1061 N ARG A 68 19.854 -2.160 0.509 1.00 0.92 N ATOM 1062 CA ARG A 68 19.640 -2.746 -0.846 1.00 0.85 C ATOM 1063 C ARG A 68 19.032 -1.697 -1.783 1.00 0.85 C ATOM 1064 O ARG A 68 19.439 -1.560 -2.919 1.00 0.95 O ATOM 1065 CB ARG A 68 18.690 -3.940 -0.735 1.00 0.92 C ATOM 1066 CG ARG A 68 19.494 -5.207 -0.431 1.00 1.07 C ATOM 1067 CD ARG A 68 19.685 -5.337 1.081 1.00 1.28 C ATOM 1068 NE ARG A 68 21.140 -5.301 1.404 1.00 2.30 N ATOM 1069 CZ ARG A 68 21.556 -5.098 2.633 1.00 3.45 C ATOM 1070 NH1 ARG A 68 20.709 -4.909 3.617 1.00 3.96 N ATOM 1071 NH2 ARG A 68 22.837 -5.083 2.881 1.00 4.53 N ATOM 0 H ARG A 68 19.368 -2.637 1.268 1.00 0.92 H new ATOM 0 HA ARG A 68 20.598 -3.071 -1.251 1.00 0.85 H new ATOM 0 HB2 ARG A 68 17.958 -3.764 0.053 1.00 0.92 H new ATOM 0 HB3 ARG A 68 18.134 -4.064 -1.665 1.00 0.92 H new ATOM 0 HG2 ARG A 68 18.974 -6.083 -0.820 1.00 1.07 H new ATOM 0 HG3 ARG A 68 20.463 -5.164 -0.929 1.00 1.07 H new ATOM 0 HD2 ARG A 68 19.168 -4.527 1.594 1.00 1.28 H new ATOM 0 HD3 ARG A 68 19.246 -6.270 1.435 1.00 1.28 H new ATOM 0 HE ARG A 68 21.823 -5.436 0.659 1.00 2.30 H new ATOM 0 HH11 ARG A 68 19.705 -4.918 3.435 1.00 3.96 H new ATOM 0 HH12 ARG A 68 21.054 -4.753 4.564 1.00 3.96 H new ATOM 0 HH21 ARG A 68 23.505 -5.228 2.124 1.00 4.53 H new ATOM 0 HH22 ARG A 68 23.171 -4.926 3.832 1.00 4.53 H new ATOM 1085 N CYS A 69 18.056 -0.964 -1.322 1.00 0.79 N ATOM 1086 CA CYS A 69 17.420 0.065 -2.196 1.00 0.87 C ATOM 1087 C CYS A 69 18.168 1.403 -2.089 1.00 0.88 C ATOM 1088 O CYS A 69 17.995 2.277 -2.914 1.00 0.96 O ATOM 1089 CB CYS A 69 15.963 0.262 -1.768 1.00 0.88 C ATOM 1090 SG CYS A 69 14.942 0.566 -3.233 1.00 1.19 S ATOM 0 H CYS A 69 17.671 -1.032 -0.380 1.00 0.79 H new ATOM 0 HA CYS A 69 17.463 -0.278 -3.230 1.00 0.87 H new ATOM 0 HB2 CYS A 69 15.605 -0.621 -1.239 1.00 0.88 H new ATOM 0 HB3 CYS A 69 15.886 1.101 -1.077 1.00 0.88 H new ATOM 1095 N LEU A 70 18.989 1.578 -1.085 1.00 0.94 N ATOM 1096 CA LEU A 70 19.730 2.865 -0.946 1.00 1.09 C ATOM 1097 C LEU A 70 20.491 3.164 -2.241 1.00 1.00 C ATOM 1098 O LEU A 70 20.066 3.967 -3.049 1.00 0.96 O ATOM 1099 CB LEU A 70 20.721 2.761 0.214 1.00 1.30 C ATOM 1100 CG LEU A 70 20.162 3.503 1.431 1.00 1.23 C ATOM 1101 CD1 LEU A 70 21.023 3.197 2.658 1.00 1.99 C ATOM 1102 CD2 LEU A 70 20.183 5.010 1.161 1.00 1.34 C ATOM 0 H LEU A 70 19.177 0.887 -0.358 1.00 0.94 H new ATOM 0 HA LEU A 70 19.021 3.669 -0.749 1.00 1.09 H new ATOM 0 HB2 LEU A 70 20.898 1.715 0.462 1.00 1.30 H new ATOM 0 HB3 LEU A 70 21.682 3.187 -0.075 1.00 1.30 H new ATOM 0 HG LEU A 70 19.138 3.177 1.615 1.00 1.23 H new ATOM 0 HD11 LEU A 70 20.624 3.726 3.524 1.00 1.99 H new ATOM 0 HD12 LEU A 70 21.012 2.124 2.852 1.00 1.99 H new ATOM 0 HD13 LEU A 70 22.047 3.522 2.474 1.00 1.99 H new ATOM 0 HD21 LEU A 70 19.785 5.540 2.026 1.00 1.34 H new ATOM 0 HD22 LEU A 70 21.208 5.332 0.977 1.00 1.34 H new ATOM 0 HD23 LEU A 70 19.571 5.232 0.287 1.00 1.34 H new ATOM 1114 N GLY A 71 21.610 2.527 -2.446 1.00 1.01 N ATOM 1115 CA GLY A 71 22.394 2.778 -3.690 1.00 1.01 C ATOM 1116 C GLY A 71 23.779 3.314 -3.323 1.00 1.18 C ATOM 1117 O GLY A 71 24.461 2.771 -2.476 1.00 1.30 O ATOM 0 H GLY A 71 22.016 1.844 -1.807 1.00 1.01 H new ATOM 0 HA2 GLY A 71 22.490 1.856 -4.264 1.00 1.01 H new ATOM 0 HA3 GLY A 71 21.871 3.495 -4.323 1.00 1.01 H new ATOM 1121 N ALA A 72 24.202 4.378 -3.952 1.00 1.28 N ATOM 1122 CA ALA A 72 25.541 4.947 -3.635 1.00 1.47 C ATOM 1123 C ALA A 72 25.676 6.329 -4.277 1.00 1.44 C ATOM 1124 O ALA A 72 26.711 6.678 -4.809 1.00 1.49 O ATOM 1125 CB ALA A 72 26.632 4.024 -4.184 1.00 1.74 C ATOM 0 H ALA A 72 23.677 4.876 -4.671 1.00 1.28 H new ATOM 0 HA ALA A 72 25.648 5.036 -2.554 1.00 1.47 H new ATOM 0 HB1 ALA A 72 27.612 4.441 -3.952 1.00 1.74 H new ATOM 0 HB2 ALA A 72 26.539 3.039 -3.727 1.00 1.74 H new ATOM 0 HB3 ALA A 72 26.523 3.934 -5.265 1.00 1.74 H new ATOM 1131 N THR A 73 24.638 7.120 -4.232 1.00 1.42 N ATOM 1132 CA THR A 73 24.713 8.479 -4.839 1.00 1.38 C ATOM 1133 C THR A 73 24.164 9.510 -3.850 1.00 1.57 C ATOM 1134 O THR A 73 23.425 9.184 -2.943 1.00 1.65 O ATOM 1135 CB THR A 73 23.882 8.511 -6.125 1.00 1.17 C ATOM 1136 OG1 THR A 73 23.692 7.185 -6.597 1.00 1.27 O ATOM 1137 CG2 THR A 73 24.613 9.334 -7.185 1.00 1.95 C ATOM 0 H THR A 73 23.744 6.884 -3.802 1.00 1.42 H new ATOM 0 HA THR A 73 25.751 8.716 -5.072 1.00 1.38 H new ATOM 0 HB THR A 73 22.912 8.966 -5.921 1.00 1.17 H new ATOM 0 HG1 THR A 73 22.794 6.877 -6.354 1.00 1.27 H new ATOM 0 HG21 THR A 73 24.021 9.357 -8.100 1.00 1.95 H new ATOM 0 HG22 THR A 73 24.757 10.351 -6.821 1.00 1.95 H new ATOM 0 HG23 THR A 73 25.583 8.882 -7.391 1.00 1.95 H new ATOM 1145 N ALA A 74 24.521 10.755 -4.018 1.00 1.65 N ATOM 1146 CA ALA A 74 24.020 11.806 -3.087 1.00 1.84 C ATOM 1147 C ALA A 74 22.621 12.250 -3.520 1.00 1.91 C ATOM 1148 O ALA A 74 21.816 12.667 -2.711 1.00 2.03 O ATOM 1149 CB ALA A 74 24.968 13.006 -3.119 1.00 1.95 C ATOM 0 H ALA A 74 25.137 11.089 -4.759 1.00 1.65 H new ATOM 0 HA ALA A 74 23.975 11.403 -2.075 1.00 1.84 H new ATOM 0 HB1 ALA A 74 24.604 13.776 -2.439 1.00 1.95 H new ATOM 0 HB2 ALA A 74 25.965 12.691 -2.810 1.00 1.95 H new ATOM 0 HB3 ALA A 74 25.012 13.408 -4.131 1.00 1.95 H new ATOM 1155 N GLN A 75 22.324 12.165 -4.788 1.00 1.86 N ATOM 1156 CA GLN A 75 20.978 12.584 -5.269 1.00 1.94 C ATOM 1157 C GLN A 75 19.975 11.451 -5.036 1.00 1.72 C ATOM 1158 O GLN A 75 18.813 11.684 -4.766 1.00 1.60 O ATOM 1159 CB GLN A 75 21.044 12.904 -6.764 1.00 2.12 C ATOM 1160 CG GLN A 75 21.175 14.417 -6.959 1.00 2.70 C ATOM 1161 CD GLN A 75 20.944 14.764 -8.432 1.00 2.51 C ATOM 1162 OE1 GLN A 75 21.884 14.987 -9.169 1.00 2.94 O ATOM 1163 NE2 GLN A 75 19.725 14.820 -8.893 1.00 2.53 N ATOM 0 H GLN A 75 22.956 11.823 -5.512 1.00 1.86 H new ATOM 0 HA GLN A 75 20.660 13.471 -4.721 1.00 1.94 H new ATOM 0 HB2 GLN A 75 21.893 12.394 -7.219 1.00 2.12 H new ATOM 0 HB3 GLN A 75 20.147 12.539 -7.265 1.00 2.12 H new ATOM 0 HG2 GLN A 75 20.451 14.939 -6.334 1.00 2.70 H new ATOM 0 HG3 GLN A 75 22.165 14.750 -6.647 1.00 2.70 H new ATOM 0 HE21 GLN A 75 18.936 14.633 -8.274 1.00 2.53 H new ATOM 0 HE22 GLN A 75 19.560 15.051 -9.873 1.00 2.53 H new ATOM 1172 N GLN A 76 20.413 10.226 -5.140 1.00 1.68 N ATOM 1173 CA GLN A 76 19.482 9.081 -4.926 1.00 1.49 C ATOM 1174 C GLN A 76 18.988 9.086 -3.478 1.00 1.28 C ATOM 1175 O GLN A 76 17.894 8.644 -3.185 1.00 1.14 O ATOM 1176 CB GLN A 76 20.213 7.768 -5.211 1.00 1.50 C ATOM 1177 CG GLN A 76 19.444 6.972 -6.266 1.00 1.18 C ATOM 1178 CD GLN A 76 20.108 5.610 -6.464 1.00 1.80 C ATOM 1179 OE1 GLN A 76 21.318 5.504 -6.456 1.00 2.84 O ATOM 1180 NE2 GLN A 76 19.362 4.553 -6.642 1.00 1.54 N ATOM 0 H GLN A 76 21.374 9.968 -5.364 1.00 1.68 H new ATOM 0 HA GLN A 76 18.630 9.176 -5.600 1.00 1.49 H new ATOM 0 HB2 GLN A 76 21.225 7.972 -5.561 1.00 1.50 H new ATOM 0 HB3 GLN A 76 20.304 7.184 -4.295 1.00 1.50 H new ATOM 0 HG2 GLN A 76 18.408 6.841 -5.954 1.00 1.18 H new ATOM 0 HG3 GLN A 76 19.426 7.520 -7.208 1.00 1.18 H new ATOM 0 HE21 GLN A 76 18.346 4.641 -6.649 1.00 1.54 H new ATOM 0 HE22 GLN A 76 19.795 3.639 -6.774 1.00 1.54 H new ATOM 1189 N PHE A 77 19.782 9.580 -2.569 1.00 1.30 N ATOM 1190 CA PHE A 77 19.354 9.609 -1.143 1.00 1.15 C ATOM 1191 C PHE A 77 18.145 10.535 -0.992 1.00 1.14 C ATOM 1192 O PHE A 77 17.136 10.167 -0.423 1.00 0.91 O ATOM 1193 CB PHE A 77 20.505 10.124 -0.276 1.00 1.27 C ATOM 1194 CG PHE A 77 20.680 9.216 0.917 1.00 1.32 C ATOM 1195 CD1 PHE A 77 19.630 9.047 1.827 1.00 1.44 C ATOM 1196 CD2 PHE A 77 21.892 8.542 1.112 1.00 1.62 C ATOM 1197 CE1 PHE A 77 19.792 8.204 2.933 1.00 1.78 C ATOM 1198 CE2 PHE A 77 22.054 7.699 2.218 1.00 1.76 C ATOM 1199 CZ PHE A 77 21.003 7.530 3.129 1.00 1.81 C ATOM 0 H PHE A 77 20.709 9.965 -2.752 1.00 1.30 H new ATOM 0 HA PHE A 77 19.082 8.603 -0.824 1.00 1.15 H new ATOM 0 HB2 PHE A 77 21.426 10.159 -0.858 1.00 1.27 H new ATOM 0 HB3 PHE A 77 20.298 11.142 0.055 1.00 1.27 H new ATOM 0 HD1 PHE A 77 18.695 9.567 1.676 1.00 1.44 H new ATOM 0 HD2 PHE A 77 22.702 8.673 0.409 1.00 1.62 H new ATOM 0 HE1 PHE A 77 18.982 8.074 3.635 1.00 1.78 H new ATOM 0 HE2 PHE A 77 22.989 7.179 2.369 1.00 1.76 H new ATOM 0 HZ PHE A 77 21.127 6.880 3.982 1.00 1.81 H new ATOM 1209 N HIS A 78 18.238 11.734 -1.497 1.00 1.39 N ATOM 1210 CA HIS A 78 17.093 12.682 -1.382 1.00 1.39 C ATOM 1211 C HIS A 78 15.864 12.084 -2.070 1.00 1.29 C ATOM 1212 O HIS A 78 14.748 12.248 -1.619 1.00 1.16 O ATOM 1213 CB HIS A 78 17.459 14.007 -2.054 1.00 1.59 C ATOM 1214 CG HIS A 78 16.361 15.007 -1.820 1.00 1.59 C ATOM 1215 ND1 HIS A 78 15.267 15.115 -2.666 1.00 1.02 N ATOM 1216 CD2 HIS A 78 16.173 15.951 -0.842 1.00 2.10 C ATOM 1217 CE1 HIS A 78 14.478 16.092 -2.184 1.00 1.19 C ATOM 1218 NE2 HIS A 78 14.983 16.636 -1.074 1.00 1.85 N ATOM 0 H HIS A 78 19.057 12.099 -1.984 1.00 1.39 H new ATOM 0 HA HIS A 78 16.871 12.857 -0.329 1.00 1.39 H new ATOM 0 HB2 HIS A 78 18.400 14.383 -1.652 1.00 1.59 H new ATOM 0 HB3 HIS A 78 17.607 13.856 -3.123 1.00 1.59 H new ATOM 0 HD2 HIS A 78 16.846 16.135 -0.017 1.00 2.10 H new ATOM 0 HE1 HIS A 78 13.548 16.399 -2.640 1.00 1.19 H new ATOM 0 HE2 HIS A 78 14.583 17.391 -0.516 1.00 1.85 H new ATOM 1226 N ARG A 79 16.060 11.392 -3.157 1.00 1.35 N ATOM 1227 CA ARG A 79 14.901 10.784 -3.871 1.00 1.30 C ATOM 1228 C ARG A 79 14.238 9.742 -2.969 1.00 1.13 C ATOM 1229 O ARG A 79 13.039 9.556 -2.996 1.00 1.12 O ATOM 1230 CB ARG A 79 15.389 10.113 -5.157 1.00 1.43 C ATOM 1231 CG ARG A 79 14.427 10.443 -6.300 1.00 0.85 C ATOM 1232 CD ARG A 79 15.077 11.461 -7.239 1.00 2.07 C ATOM 1233 NE ARG A 79 14.042 12.020 -8.158 1.00 1.56 N ATOM 1234 CZ ARG A 79 14.276 13.104 -8.862 1.00 2.30 C ATOM 1235 NH1 ARG A 79 15.430 13.726 -8.792 1.00 3.45 N ATOM 1236 NH2 ARG A 79 13.346 13.569 -9.650 1.00 2.27 N ATOM 0 H ARG A 79 16.971 11.221 -3.582 1.00 1.35 H new ATOM 0 HA ARG A 79 14.178 11.561 -4.120 1.00 1.30 H new ATOM 0 HB2 ARG A 79 16.394 10.458 -5.402 1.00 1.43 H new ATOM 0 HB3 ARG A 79 15.448 9.034 -5.017 1.00 1.43 H new ATOM 0 HG2 ARG A 79 14.174 9.536 -6.849 1.00 0.85 H new ATOM 0 HG3 ARG A 79 13.496 10.844 -5.901 1.00 0.85 H new ATOM 0 HD2 ARG A 79 15.537 12.263 -6.661 1.00 2.07 H new ATOM 0 HD3 ARG A 79 15.872 10.986 -7.814 1.00 2.07 H new ATOM 0 HE ARG A 79 13.139 11.553 -8.241 1.00 1.56 H new ATOM 0 HH11 ARG A 79 16.166 13.369 -8.182 1.00 3.45 H new ATOM 0 HH12 ARG A 79 15.591 14.566 -9.347 1.00 3.45 H new ATOM 0 HH21 ARG A 79 12.447 13.091 -9.715 1.00 2.27 H new ATOM 0 HH22 ARG A 79 13.518 14.410 -10.201 1.00 2.27 H new ATOM 1250 N HIS A 80 15.012 9.063 -2.166 1.00 1.04 N ATOM 1251 CA HIS A 80 14.426 8.036 -1.259 1.00 0.89 C ATOM 1252 C HIS A 80 13.610 8.733 -0.168 1.00 0.76 C ATOM 1253 O HIS A 80 12.618 8.217 0.305 1.00 0.69 O ATOM 1254 CB HIS A 80 15.553 7.227 -0.614 1.00 0.92 C ATOM 1255 CG HIS A 80 15.220 5.761 -0.677 1.00 0.59 C ATOM 1256 ND1 HIS A 80 14.150 5.217 0.014 1.00 0.62 N ATOM 1257 CD2 HIS A 80 15.807 4.715 -1.343 1.00 1.72 C ATOM 1258 CE1 HIS A 80 14.125 3.898 -0.249 1.00 0.83 C ATOM 1259 NE2 HIS A 80 15.115 3.539 -1.073 1.00 2.00 N ATOM 0 H HIS A 80 16.024 9.175 -2.099 1.00 1.04 H new ATOM 0 HA HIS A 80 13.779 7.369 -1.829 1.00 0.89 H new ATOM 0 HB2 HIS A 80 16.494 7.419 -1.130 1.00 0.92 H new ATOM 0 HB3 HIS A 80 15.689 7.535 0.423 1.00 0.92 H new ATOM 0 HD1 HIS A 80 13.499 5.724 0.613 1.00 0.62 H new ATOM 0 HD2 HIS A 80 16.675 4.793 -1.981 1.00 1.72 H new ATOM 0 HE1 HIS A 80 13.395 3.213 0.156 1.00 0.83 H new ATOM 1267 N LYS A 81 14.025 9.903 0.234 1.00 0.74 N ATOM 1268 CA LYS A 81 13.280 10.636 1.295 1.00 0.64 C ATOM 1269 C LYS A 81 11.832 10.853 0.850 1.00 0.51 C ATOM 1270 O LYS A 81 10.917 10.822 1.648 1.00 0.38 O ATOM 1271 CB LYS A 81 13.944 11.993 1.538 1.00 0.63 C ATOM 1272 CG LYS A 81 14.087 12.231 3.042 1.00 0.81 C ATOM 1273 CD LYS A 81 14.176 13.734 3.315 1.00 1.15 C ATOM 1274 CE LYS A 81 14.230 13.975 4.825 1.00 1.78 C ATOM 1275 NZ LYS A 81 15.650 13.974 5.277 1.00 1.37 N ATOM 0 H LYS A 81 14.849 10.383 -0.127 1.00 0.74 H new ATOM 0 HA LYS A 81 13.293 10.052 2.215 1.00 0.64 H new ATOM 0 HB2 LYS A 81 14.923 12.021 1.060 1.00 0.63 H new ATOM 0 HB3 LYS A 81 13.347 12.787 1.089 1.00 0.63 H new ATOM 0 HG2 LYS A 81 13.235 11.804 3.571 1.00 0.81 H new ATOM 0 HG3 LYS A 81 14.979 11.729 3.417 1.00 0.81 H new ATOM 0 HD2 LYS A 81 15.063 14.149 2.838 1.00 1.15 H new ATOM 0 HD3 LYS A 81 13.314 14.244 2.885 1.00 1.15 H new ATOM 0 HE2 LYS A 81 13.760 14.928 5.069 1.00 1.78 H new ATOM 0 HE3 LYS A 81 13.670 13.200 5.348 1.00 1.78 H new ATOM 0 HZ1 LYS A 81 15.688 14.138 6.303 1.00 1.37 H new ATOM 0 HZ2 LYS A 81 16.084 13.055 5.057 1.00 1.37 H new ATOM 0 HZ3 LYS A 81 16.171 14.729 4.787 1.00 1.37 H new ATOM 1289 N GLN A 82 11.618 11.078 -0.417 1.00 0.57 N ATOM 1290 CA GLN A 82 10.230 11.304 -0.913 1.00 0.50 C ATOM 1291 C GLN A 82 9.494 9.966 -1.047 1.00 0.57 C ATOM 1292 O GLN A 82 8.283 9.911 -0.995 1.00 0.61 O ATOM 1293 CB GLN A 82 10.284 11.993 -2.278 1.00 0.63 C ATOM 1294 CG GLN A 82 9.977 13.482 -2.112 1.00 0.86 C ATOM 1295 CD GLN A 82 8.535 13.758 -2.541 1.00 0.92 C ATOM 1296 OE1 GLN A 82 7.603 13.275 -1.928 1.00 1.98 O ATOM 1297 NE2 GLN A 82 8.309 14.520 -3.576 1.00 0.70 N ATOM 0 H GLN A 82 12.345 11.115 -1.132 1.00 0.57 H new ATOM 0 HA GLN A 82 9.696 11.935 -0.202 1.00 0.50 H new ATOM 0 HB2 GLN A 82 11.270 11.862 -2.724 1.00 0.63 H new ATOM 0 HB3 GLN A 82 9.564 11.536 -2.956 1.00 0.63 H new ATOM 0 HG2 GLN A 82 10.122 13.780 -1.074 1.00 0.86 H new ATOM 0 HG3 GLN A 82 10.666 14.075 -2.713 1.00 0.86 H new ATOM 0 HE21 GLN A 82 9.090 14.926 -4.091 1.00 0.70 H new ATOM 0 HE22 GLN A 82 7.351 14.710 -3.870 1.00 0.70 H new ATOM 1306 N LEU A 83 10.211 8.888 -1.222 1.00 0.72 N ATOM 1307 CA LEU A 83 9.541 7.563 -1.359 1.00 0.79 C ATOM 1308 C LEU A 83 8.897 7.175 -0.024 1.00 0.56 C ATOM 1309 O LEU A 83 7.723 6.874 0.048 1.00 0.60 O ATOM 1310 CB LEU A 83 10.579 6.506 -1.746 1.00 0.98 C ATOM 1311 CG LEU A 83 9.939 5.455 -2.658 1.00 1.31 C ATOM 1312 CD1 LEU A 83 10.998 4.437 -3.087 1.00 2.15 C ATOM 1313 CD2 LEU A 83 8.821 4.731 -1.905 1.00 1.14 C ATOM 0 H LEU A 83 11.229 8.868 -1.276 1.00 0.72 H new ATOM 0 HA LEU A 83 8.773 7.623 -2.130 1.00 0.79 H new ATOM 0 HB2 LEU A 83 11.419 6.978 -2.255 1.00 0.98 H new ATOM 0 HB3 LEU A 83 10.976 6.029 -0.850 1.00 0.98 H new ATOM 0 HG LEU A 83 9.526 5.948 -3.538 1.00 1.31 H new ATOM 0 HD11 LEU A 83 10.542 3.689 -3.736 1.00 2.15 H new ATOM 0 HD12 LEU A 83 11.796 4.947 -3.626 1.00 2.15 H new ATOM 0 HD13 LEU A 83 11.411 3.948 -2.205 1.00 2.15 H new ATOM 0 HD21 LEU A 83 8.368 3.984 -2.557 1.00 1.14 H new ATOM 0 HD22 LEU A 83 9.234 4.241 -1.024 1.00 1.14 H new ATOM 0 HD23 LEU A 83 8.063 5.452 -1.598 1.00 1.14 H new ATOM 1325 N ILE A 84 9.663 7.178 1.032 1.00 0.44 N ATOM 1326 CA ILE A 84 9.107 6.806 2.364 1.00 0.25 C ATOM 1327 C ILE A 84 8.075 7.843 2.801 1.00 0.33 C ATOM 1328 O ILE A 84 7.131 7.535 3.495 1.00 0.32 O ATOM 1329 CB ILE A 84 10.237 6.756 3.388 1.00 0.39 C ATOM 1330 CG1 ILE A 84 11.408 5.947 2.819 1.00 0.40 C ATOM 1331 CG2 ILE A 84 9.732 6.090 4.669 1.00 0.59 C ATOM 1332 CD1 ILE A 84 10.876 4.708 2.095 1.00 0.38 C ATOM 0 H ILE A 84 10.653 7.423 1.030 1.00 0.44 H new ATOM 0 HA ILE A 84 8.629 5.829 2.294 1.00 0.25 H new ATOM 0 HB ILE A 84 10.571 7.769 3.611 1.00 0.39 H new ATOM 0 HG12 ILE A 84 11.987 6.562 2.130 1.00 0.40 H new ATOM 0 HG13 ILE A 84 12.081 5.649 3.623 1.00 0.40 H new ATOM 0 HG21 ILE A 84 10.538 6.053 5.402 1.00 0.59 H new ATOM 0 HG22 ILE A 84 8.899 6.665 5.074 1.00 0.59 H new ATOM 0 HG23 ILE A 84 9.399 5.077 4.445 1.00 0.59 H new ATOM 0 HD11 ILE A 84 11.711 4.135 1.692 1.00 0.38 H new ATOM 0 HD12 ILE A 84 10.317 4.089 2.796 1.00 0.38 H new ATOM 0 HD13 ILE A 84 10.221 5.016 1.280 1.00 0.38 H new ATOM 1344 N ARG A 85 8.248 9.071 2.403 1.00 0.49 N ATOM 1345 CA ARG A 85 7.268 10.122 2.798 1.00 0.62 C ATOM 1346 C ARG A 85 5.910 9.806 2.167 1.00 0.68 C ATOM 1347 O ARG A 85 4.870 9.986 2.772 1.00 0.81 O ATOM 1348 CB ARG A 85 7.754 11.485 2.301 1.00 0.79 C ATOM 1349 CG ARG A 85 7.601 12.522 3.414 1.00 0.47 C ATOM 1350 CD ARG A 85 8.892 12.577 4.233 1.00 1.58 C ATOM 1351 NE ARG A 85 8.664 13.397 5.468 1.00 1.92 N ATOM 1352 CZ ARG A 85 8.246 14.636 5.405 1.00 1.53 C ATOM 1353 NH1 ARG A 85 8.263 15.299 4.275 1.00 1.05 N ATOM 1354 NH2 ARG A 85 7.883 15.248 6.499 1.00 2.09 N ATOM 0 H ARG A 85 9.023 9.393 1.823 1.00 0.49 H new ATOM 0 HA ARG A 85 7.173 10.145 3.884 1.00 0.62 H new ATOM 0 HB2 ARG A 85 8.797 11.420 1.992 1.00 0.79 H new ATOM 0 HB3 ARG A 85 7.181 11.789 1.425 1.00 0.79 H new ATOM 0 HG2 ARG A 85 7.385 13.502 2.987 1.00 0.47 H new ATOM 0 HG3 ARG A 85 6.760 12.262 4.056 1.00 0.47 H new ATOM 0 HD2 ARG A 85 9.206 11.569 4.505 1.00 1.58 H new ATOM 0 HD3 ARG A 85 9.695 13.012 3.638 1.00 1.58 H new ATOM 0 HE ARG A 85 8.839 12.978 6.381 1.00 1.92 H new ATOM 0 HH11 ARG A 85 8.606 14.850 3.426 1.00 1.05 H new ATOM 0 HH12 ARG A 85 7.933 16.264 4.245 1.00 1.05 H new ATOM 0 HH21 ARG A 85 7.926 14.761 7.394 1.00 2.09 H new ATOM 0 HH22 ARG A 85 7.556 16.213 6.459 1.00 2.09 H new ATOM 1368 N PHE A 86 5.917 9.337 0.950 1.00 0.67 N ATOM 1369 CA PHE A 86 4.638 9.009 0.262 1.00 0.73 C ATOM 1370 C PHE A 86 3.965 7.824 0.957 1.00 0.64 C ATOM 1371 O PHE A 86 2.850 7.922 1.423 1.00 0.74 O ATOM 1372 CB PHE A 86 4.924 8.647 -1.196 1.00 0.76 C ATOM 1373 CG PHE A 86 4.213 9.618 -2.106 1.00 0.85 C ATOM 1374 CD1 PHE A 86 2.841 9.848 -1.950 1.00 0.76 C ATOM 1375 CD2 PHE A 86 4.927 10.290 -3.104 1.00 1.39 C ATOM 1376 CE1 PHE A 86 2.183 10.750 -2.793 1.00 0.85 C ATOM 1377 CE2 PHE A 86 4.269 11.192 -3.947 1.00 1.47 C ATOM 1378 CZ PHE A 86 2.897 11.423 -3.791 1.00 1.04 C ATOM 0 H PHE A 86 6.759 9.166 0.400 1.00 0.67 H new ATOM 0 HA PHE A 86 3.976 9.874 0.302 1.00 0.73 H new ATOM 0 HB2 PHE A 86 5.997 8.675 -1.385 1.00 0.76 H new ATOM 0 HB3 PHE A 86 4.591 7.630 -1.401 1.00 0.76 H new ATOM 0 HD1 PHE A 86 2.291 9.329 -1.179 1.00 0.76 H new ATOM 0 HD2 PHE A 86 5.986 10.113 -3.224 1.00 1.39 H new ATOM 0 HE1 PHE A 86 1.124 10.927 -2.674 1.00 0.85 H new ATOM 0 HE2 PHE A 86 4.820 11.710 -4.718 1.00 1.47 H new ATOM 0 HZ PHE A 86 2.390 12.121 -4.441 1.00 1.04 H new ATOM 1388 N LEU A 87 4.628 6.703 1.021 1.00 0.71 N ATOM 1389 CA LEU A 87 4.019 5.509 1.680 1.00 0.71 C ATOM 1390 C LEU A 87 3.742 5.792 3.163 1.00 0.69 C ATOM 1391 O LEU A 87 2.968 5.101 3.797 1.00 0.66 O ATOM 1392 CB LEU A 87 4.972 4.317 1.557 1.00 1.00 C ATOM 1393 CG LEU A 87 6.329 4.662 2.167 1.00 1.82 C ATOM 1394 CD1 LEU A 87 6.320 4.318 3.655 1.00 2.15 C ATOM 1395 CD2 LEU A 87 7.412 3.845 1.461 1.00 2.88 C ATOM 0 H LEU A 87 5.566 6.560 0.646 1.00 0.71 H new ATOM 0 HA LEU A 87 3.075 5.281 1.186 1.00 0.71 H new ATOM 0 HB2 LEU A 87 4.548 3.449 2.062 1.00 1.00 H new ATOM 0 HB3 LEU A 87 5.095 4.047 0.508 1.00 1.00 H new ATOM 0 HG LEU A 87 6.530 5.726 2.045 1.00 1.82 H new ATOM 0 HD11 LEU A 87 7.288 4.564 4.091 1.00 2.15 H new ATOM 0 HD12 LEU A 87 5.540 4.891 4.156 1.00 2.15 H new ATOM 0 HD13 LEU A 87 6.125 3.253 3.781 1.00 2.15 H new ATOM 0 HD21 LEU A 87 8.385 4.084 1.889 1.00 2.88 H new ATOM 0 HD22 LEU A 87 7.209 2.782 1.592 1.00 2.88 H new ATOM 0 HD23 LEU A 87 7.414 4.086 0.398 1.00 2.88 H new ATOM 1407 N LYS A 88 4.355 6.799 3.724 1.00 0.82 N ATOM 1408 CA LYS A 88 4.110 7.107 5.161 1.00 0.89 C ATOM 1409 C LYS A 88 2.708 7.691 5.317 1.00 0.77 C ATOM 1410 O LYS A 88 1.926 7.244 6.133 1.00 0.80 O ATOM 1411 CB LYS A 88 5.150 8.117 5.653 1.00 1.07 C ATOM 1412 CG LYS A 88 6.305 7.372 6.326 1.00 0.94 C ATOM 1413 CD LYS A 88 7.457 8.342 6.597 1.00 1.75 C ATOM 1414 CE LYS A 88 7.540 8.627 8.097 1.00 0.92 C ATOM 1415 NZ LYS A 88 6.461 9.580 8.482 1.00 0.62 N ATOM 0 H LYS A 88 5.012 7.419 3.251 1.00 0.82 H new ATOM 0 HA LYS A 88 4.191 6.195 5.752 1.00 0.89 H new ATOM 0 HB2 LYS A 88 5.523 8.708 4.817 1.00 1.07 H new ATOM 0 HB3 LYS A 88 4.693 8.813 6.356 1.00 1.07 H new ATOM 0 HG2 LYS A 88 5.966 6.925 7.260 1.00 0.94 H new ATOM 0 HG3 LYS A 88 6.646 6.557 5.687 1.00 0.94 H new ATOM 0 HD2 LYS A 88 8.396 7.916 6.244 1.00 1.75 H new ATOM 0 HD3 LYS A 88 7.302 9.270 6.047 1.00 1.75 H new ATOM 0 HE2 LYS A 88 7.439 7.699 8.660 1.00 0.92 H new ATOM 0 HE3 LYS A 88 8.515 9.046 8.345 1.00 0.92 H new ATOM 0 HZ1 LYS A 88 6.568 9.840 9.483 1.00 0.62 H new ATOM 0 HZ2 LYS A 88 6.527 10.435 7.893 1.00 0.62 H new ATOM 0 HZ3 LYS A 88 5.534 9.131 8.338 1.00 0.62 H new ATOM 1429 N ARG A 89 2.376 8.678 4.534 1.00 0.73 N ATOM 1430 CA ARG A 89 1.018 9.277 4.635 1.00 0.76 C ATOM 1431 C ARG A 89 -0.017 8.240 4.189 1.00 0.77 C ATOM 1432 O ARG A 89 -1.113 8.174 4.708 1.00 0.77 O ATOM 1433 CB ARG A 89 0.934 10.505 3.725 1.00 0.92 C ATOM 1434 CG ARG A 89 -0.475 10.614 3.140 1.00 0.23 C ATOM 1435 CD ARG A 89 -0.690 12.026 2.591 1.00 0.49 C ATOM 1436 NE ARG A 89 0.151 12.218 1.374 1.00 1.15 N ATOM 1437 CZ ARG A 89 -0.058 13.226 0.558 1.00 1.28 C ATOM 1438 NH1 ARG A 89 -1.015 14.096 0.782 1.00 0.91 N ATOM 1439 NH2 ARG A 89 0.699 13.365 -0.495 1.00 2.26 N ATOM 0 H ARG A 89 2.985 9.095 3.830 1.00 0.73 H new ATOM 0 HA ARG A 89 0.821 9.577 5.664 1.00 0.76 H new ATOM 0 HB2 ARG A 89 1.175 11.406 4.289 1.00 0.92 H new ATOM 0 HB3 ARG A 89 1.667 10.426 2.922 1.00 0.92 H new ATOM 0 HG2 ARG A 89 -0.609 9.879 2.346 1.00 0.23 H new ATOM 0 HG3 ARG A 89 -1.217 10.393 3.907 1.00 0.23 H new ATOM 0 HD2 ARG A 89 -1.742 12.177 2.347 1.00 0.49 H new ATOM 0 HD3 ARG A 89 -0.429 12.766 3.348 1.00 0.49 H new ATOM 0 HE ARG A 89 0.900 11.556 1.172 1.00 1.15 H new ATOM 0 HH11 ARG A 89 -1.613 13.996 1.602 1.00 0.91 H new ATOM 0 HH12 ARG A 89 -1.161 14.872 0.136 1.00 0.91 H new ATOM 0 HH21 ARG A 89 1.445 12.694 -0.679 1.00 2.26 H new ATOM 0 HH22 ARG A 89 0.545 14.144 -1.135 1.00 2.26 H new ATOM 1453 N LEU A 90 0.331 7.429 3.229 1.00 0.82 N ATOM 1454 CA LEU A 90 -0.619 6.393 2.735 1.00 0.89 C ATOM 1455 C LEU A 90 -0.649 5.191 3.687 1.00 0.86 C ATOM 1456 O LEU A 90 -1.487 4.323 3.565 1.00 0.95 O ATOM 1457 CB LEU A 90 -0.180 5.924 1.347 1.00 1.07 C ATOM 1458 CG LEU A 90 -1.248 4.999 0.758 1.00 0.69 C ATOM 1459 CD1 LEU A 90 -1.784 5.599 -0.542 1.00 1.10 C ATOM 1460 CD2 LEU A 90 -0.631 3.629 0.468 1.00 0.62 C ATOM 0 H LEU A 90 1.238 7.439 2.763 1.00 0.82 H new ATOM 0 HA LEU A 90 -1.617 6.829 2.686 1.00 0.89 H new ATOM 0 HB2 LEU A 90 -0.027 6.783 0.693 1.00 1.07 H new ATOM 0 HB3 LEU A 90 0.773 5.400 1.413 1.00 1.07 H new ATOM 0 HG LEU A 90 -2.065 4.889 1.471 1.00 0.69 H new ATOM 0 HD11 LEU A 90 -2.544 4.940 -0.961 1.00 1.10 H new ATOM 0 HD12 LEU A 90 -2.223 6.576 -0.338 1.00 1.10 H new ATOM 0 HD13 LEU A 90 -0.967 5.710 -1.255 1.00 1.10 H new ATOM 0 HD21 LEU A 90 -1.391 2.969 0.049 1.00 0.62 H new ATOM 0 HD22 LEU A 90 0.186 3.741 -0.245 1.00 0.62 H new ATOM 0 HD23 LEU A 90 -0.248 3.199 1.394 1.00 0.62 H new ATOM 1472 N ASP A 91 0.253 5.117 4.631 1.00 0.79 N ATOM 1473 CA ASP A 91 0.238 3.958 5.565 1.00 0.87 C ATOM 1474 C ASP A 91 -1.009 4.039 6.452 1.00 0.83 C ATOM 1475 O ASP A 91 -1.694 3.058 6.664 1.00 0.94 O ATOM 1476 CB ASP A 91 1.496 3.984 6.443 1.00 0.82 C ATOM 1477 CG ASP A 91 1.441 2.828 7.443 1.00 0.49 C ATOM 1478 OD1 ASP A 91 1.141 1.722 7.025 1.00 1.59 O ATOM 1479 OD2 ASP A 91 1.700 3.069 8.612 1.00 0.87 O ATOM 0 H ASP A 91 0.991 5.802 4.793 1.00 0.79 H new ATOM 0 HA ASP A 91 0.220 3.031 4.993 1.00 0.87 H new ATOM 0 HB2 ASP A 91 2.388 3.900 5.822 1.00 0.82 H new ATOM 0 HB3 ASP A 91 1.564 4.934 6.972 1.00 0.82 H new ATOM 1484 N ARG A 92 -1.302 5.198 6.983 1.00 0.71 N ATOM 1485 CA ARG A 92 -2.498 5.337 7.866 1.00 0.70 C ATOM 1486 C ARG A 92 -3.740 5.739 7.056 1.00 0.67 C ATOM 1487 O ARG A 92 -4.854 5.445 7.438 1.00 0.76 O ATOM 1488 CB ARG A 92 -2.220 6.406 8.926 1.00 0.62 C ATOM 1489 CG ARG A 92 -2.335 5.786 10.321 1.00 0.85 C ATOM 1490 CD ARG A 92 -3.773 5.922 10.825 1.00 1.08 C ATOM 1491 NE ARG A 92 -4.010 7.323 11.277 1.00 1.71 N ATOM 1492 CZ ARG A 92 -5.228 7.775 11.477 1.00 2.94 C ATOM 1493 NH1 ARG A 92 -6.278 7.012 11.284 1.00 3.63 N ATOM 1494 NH2 ARG A 92 -5.397 9.006 11.875 1.00 3.65 N ATOM 0 H ARG A 92 -0.765 6.054 6.843 1.00 0.71 H new ATOM 0 HA ARG A 92 -2.691 4.374 8.339 1.00 0.70 H new ATOM 0 HB2 ARG A 92 -1.223 6.824 8.783 1.00 0.62 H new ATOM 0 HB3 ARG A 92 -2.928 7.228 8.823 1.00 0.62 H new ATOM 0 HG2 ARG A 92 -2.048 4.735 10.288 1.00 0.85 H new ATOM 0 HG3 ARG A 92 -1.649 6.282 11.008 1.00 0.85 H new ATOM 0 HD2 ARG A 92 -4.474 5.661 10.032 1.00 1.08 H new ATOM 0 HD3 ARG A 92 -3.949 5.228 11.647 1.00 1.08 H new ATOM 0 HE ARG A 92 -3.214 7.941 11.434 1.00 1.71 H new ATOM 0 HH11 ARG A 92 -6.158 6.048 10.973 1.00 3.63 H new ATOM 0 HH12 ARG A 92 -7.214 7.383 11.445 1.00 3.63 H new ATOM 0 HH21 ARG A 92 -4.588 9.608 12.028 1.00 3.65 H new ATOM 0 HH22 ARG A 92 -6.338 9.366 12.033 1.00 3.65 H new ATOM 1508 N ASN A 93 -3.567 6.425 5.957 1.00 0.64 N ATOM 1509 CA ASN A 93 -4.757 6.854 5.156 1.00 0.69 C ATOM 1510 C ASN A 93 -5.302 5.685 4.331 1.00 0.94 C ATOM 1511 O ASN A 93 -6.472 5.639 4.005 1.00 1.11 O ATOM 1512 CB ASN A 93 -4.356 7.989 4.213 1.00 0.77 C ATOM 1513 CG ASN A 93 -5.104 9.266 4.602 1.00 0.53 C ATOM 1514 OD1 ASN A 93 -5.802 9.846 3.794 1.00 1.52 O ATOM 1515 ND2 ASN A 93 -4.986 9.731 5.816 1.00 1.08 N ATOM 0 H ASN A 93 -2.662 6.706 5.580 1.00 0.64 H new ATOM 0 HA ASN A 93 -5.532 7.194 5.842 1.00 0.69 H new ATOM 0 HB2 ASN A 93 -3.280 8.155 4.264 1.00 0.77 H new ATOM 0 HB3 ASN A 93 -4.588 7.719 3.183 1.00 0.77 H new ATOM 0 HD21 ASN A 93 -5.480 10.581 6.087 1.00 1.08 H new ATOM 0 HD22 ASN A 93 -4.400 9.244 6.494 1.00 1.08 H new ATOM 1522 N LEU A 94 -4.471 4.746 3.982 1.00 0.98 N ATOM 1523 CA LEU A 94 -4.955 3.592 3.170 1.00 1.22 C ATOM 1524 C LEU A 94 -6.009 2.817 3.962 1.00 1.31 C ATOM 1525 O LEU A 94 -7.150 2.709 3.559 1.00 1.59 O ATOM 1526 CB LEU A 94 -3.778 2.668 2.844 1.00 1.11 C ATOM 1527 CG LEU A 94 -4.306 1.368 2.236 1.00 0.54 C ATOM 1528 CD1 LEU A 94 -3.354 0.896 1.135 1.00 1.46 C ATOM 1529 CD2 LEU A 94 -4.397 0.297 3.324 1.00 1.00 C ATOM 0 H LEU A 94 -3.480 4.725 4.222 1.00 0.98 H new ATOM 0 HA LEU A 94 -5.396 3.959 2.243 1.00 1.22 H new ATOM 0 HB2 LEU A 94 -3.098 3.159 2.147 1.00 1.11 H new ATOM 0 HB3 LEU A 94 -3.208 2.454 3.748 1.00 1.11 H new ATOM 0 HG LEU A 94 -5.295 1.541 1.812 1.00 0.54 H new ATOM 0 HD11 LEU A 94 -3.730 -0.031 0.701 1.00 1.46 H new ATOM 0 HD12 LEU A 94 -3.288 1.659 0.359 1.00 1.46 H new ATOM 0 HD13 LEU A 94 -2.365 0.723 1.559 1.00 1.46 H new ATOM 0 HD21 LEU A 94 -4.773 -0.630 2.891 1.00 1.00 H new ATOM 0 HD22 LEU A 94 -3.408 0.124 3.748 1.00 1.00 H new ATOM 0 HD23 LEU A 94 -5.075 0.632 4.109 1.00 1.00 H new ATOM 1541 N TRP A 95 -5.632 2.277 5.086 1.00 1.13 N ATOM 1542 CA TRP A 95 -6.602 1.506 5.914 1.00 1.34 C ATOM 1543 C TRP A 95 -7.410 2.460 6.811 1.00 1.35 C ATOM 1544 O TRP A 95 -8.395 2.077 7.411 1.00 1.43 O ATOM 1545 CB TRP A 95 -5.816 0.512 6.768 1.00 1.29 C ATOM 1546 CG TRP A 95 -6.452 0.361 8.111 1.00 1.71 C ATOM 1547 CD1 TRP A 95 -7.555 -0.374 8.382 1.00 3.21 C ATOM 1548 CD2 TRP A 95 -6.038 0.955 9.369 1.00 1.42 C ATOM 1549 NE1 TRP A 95 -7.842 -0.267 9.733 1.00 3.50 N ATOM 1550 CE2 TRP A 95 -6.933 0.545 10.383 1.00 2.15 C ATOM 1551 CE3 TRP A 95 -4.981 1.802 9.718 1.00 2.22 C ATOM 1552 CZ2 TRP A 95 -6.778 0.969 11.704 1.00 1.96 C ATOM 1553 CZ3 TRP A 95 -4.819 2.232 11.045 1.00 2.68 C ATOM 1554 CH2 TRP A 95 -5.718 1.815 12.037 1.00 1.86 C ATOM 0 H TRP A 95 -4.689 2.336 5.470 1.00 1.13 H new ATOM 0 HA TRP A 95 -7.303 0.973 5.272 1.00 1.34 H new ATOM 0 HB2 TRP A 95 -5.776 -0.455 6.267 1.00 1.29 H new ATOM 0 HB3 TRP A 95 -4.788 0.855 6.882 1.00 1.29 H new ATOM 0 HD1 TRP A 95 -8.119 -0.950 7.663 1.00 3.21 H new ATOM 0 HE1 TRP A 95 -8.627 -0.730 10.191 1.00 3.50 H new ATOM 0 HE3 TRP A 95 -4.284 2.128 8.961 1.00 2.22 H new ATOM 0 HZ2 TRP A 95 -7.474 0.645 12.464 1.00 1.96 H new ATOM 0 HZ3 TRP A 95 -3.999 2.886 11.302 1.00 2.68 H new ATOM 0 HH2 TRP A 95 -5.591 2.147 13.057 1.00 1.86 H new ATOM 1565 N GLY A 96 -7.008 3.700 6.906 1.00 1.28 N ATOM 1566 CA GLY A 96 -7.759 4.671 7.756 1.00 1.29 C ATOM 1567 C GLY A 96 -9.243 4.660 7.368 1.00 1.44 C ATOM 1568 O GLY A 96 -10.110 4.870 8.192 1.00 1.53 O ATOM 0 H GLY A 96 -6.191 4.083 6.431 1.00 1.28 H new ATOM 0 HA2 GLY A 96 -7.647 4.410 8.808 1.00 1.29 H new ATOM 0 HA3 GLY A 96 -7.348 5.673 7.630 1.00 1.29 H new ATOM 1572 N LEU A 97 -9.541 4.411 6.120 1.00 1.47 N ATOM 1573 CA LEU A 97 -10.970 4.381 5.687 1.00 1.61 C ATOM 1574 C LEU A 97 -11.666 3.192 6.349 1.00 1.47 C ATOM 1575 O LEU A 97 -12.793 3.290 6.791 1.00 1.59 O ATOM 1576 CB LEU A 97 -11.043 4.228 4.166 1.00 1.54 C ATOM 1577 CG LEU A 97 -12.446 3.767 3.765 1.00 1.64 C ATOM 1578 CD1 LEU A 97 -12.849 4.441 2.454 1.00 2.58 C ATOM 1579 CD2 LEU A 97 -12.451 2.248 3.578 1.00 2.10 C ATOM 0 H LEU A 97 -8.860 4.228 5.384 1.00 1.47 H new ATOM 0 HA LEU A 97 -11.461 5.309 5.980 1.00 1.61 H new ATOM 0 HB2 LEU A 97 -10.809 5.177 3.683 1.00 1.54 H new ATOM 0 HB3 LEU A 97 -10.301 3.506 3.827 1.00 1.54 H new ATOM 0 HG LEU A 97 -13.154 4.040 4.547 1.00 1.64 H new ATOM 0 HD11 LEU A 97 -13.848 4.113 2.168 1.00 2.58 H new ATOM 0 HD12 LEU A 97 -12.846 5.523 2.585 1.00 2.58 H new ATOM 0 HD13 LEU A 97 -12.140 4.169 1.672 1.00 2.58 H new ATOM 0 HD21 LEU A 97 -13.450 1.920 3.292 1.00 2.10 H new ATOM 0 HD22 LEU A 97 -11.742 1.975 2.796 1.00 2.10 H new ATOM 0 HD23 LEU A 97 -12.164 1.765 4.512 1.00 2.10 H new ATOM 1591 N ALA A 98 -10.989 2.074 6.412 1.00 1.33 N ATOM 1592 CA ALA A 98 -11.572 0.854 7.043 1.00 1.31 C ATOM 1593 C ALA A 98 -12.195 1.220 8.391 1.00 1.66 C ATOM 1594 O ALA A 98 -13.328 0.884 8.677 1.00 1.74 O ATOM 1595 CB ALA A 98 -10.454 -0.170 7.263 1.00 1.10 C ATOM 0 H ALA A 98 -10.044 1.954 6.048 1.00 1.33 H new ATOM 0 HA ALA A 98 -12.341 0.435 6.394 1.00 1.31 H new ATOM 0 HB1 ALA A 98 -10.868 -1.067 7.724 1.00 1.10 H new ATOM 0 HB2 ALA A 98 -10.004 -0.429 6.305 1.00 1.10 H new ATOM 0 HB3 ALA A 98 -9.694 0.256 7.917 1.00 1.10 H new ATOM 1601 N GLY A 99 -11.465 1.916 9.213 1.00 1.92 N ATOM 1602 CA GLY A 99 -12.011 2.322 10.540 1.00 2.32 C ATOM 1603 C GLY A 99 -12.161 1.096 11.442 1.00 2.48 C ATOM 1604 O GLY A 99 -12.986 1.068 12.333 1.00 2.91 O ATOM 0 H GLY A 99 -10.511 2.223 9.025 1.00 1.92 H new ATOM 0 HA2 GLY A 99 -11.348 3.049 11.008 1.00 2.32 H new ATOM 0 HA3 GLY A 99 -12.978 2.809 10.411 1.00 2.32 H new ATOM 1608 N LEU A 100 -11.370 0.081 11.222 1.00 2.31 N ATOM 1609 CA LEU A 100 -11.472 -1.137 12.073 1.00 2.59 C ATOM 1610 C LEU A 100 -10.208 -1.263 12.924 1.00 2.41 C ATOM 1611 O LEU A 100 -9.379 -0.379 12.948 1.00 2.58 O ATOM 1612 CB LEU A 100 -11.616 -2.371 11.178 1.00 2.75 C ATOM 1613 CG LEU A 100 -13.091 -2.580 10.829 1.00 3.76 C ATOM 1614 CD1 LEU A 100 -13.224 -3.747 9.849 1.00 3.39 C ATOM 1615 CD2 LEU A 100 -13.877 -2.895 12.104 1.00 4.40 C ATOM 0 H LEU A 100 -10.659 0.043 10.491 1.00 2.31 H new ATOM 0 HA LEU A 100 -12.343 -1.060 12.724 1.00 2.59 H new ATOM 0 HB2 LEU A 100 -11.031 -2.243 10.267 1.00 2.75 H new ATOM 0 HB3 LEU A 100 -11.224 -3.251 11.688 1.00 2.75 H new ATOM 0 HG LEU A 100 -13.487 -1.674 10.371 1.00 3.76 H new ATOM 0 HD11 LEU A 100 -14.275 -3.896 9.601 1.00 3.39 H new ATOM 0 HD12 LEU A 100 -12.664 -3.525 8.940 1.00 3.39 H new ATOM 0 HD13 LEU A 100 -12.828 -4.653 10.307 1.00 3.39 H new ATOM 0 HD21 LEU A 100 -14.928 -3.044 11.856 1.00 4.40 H new ATOM 0 HD22 LEU A 100 -13.480 -3.801 12.562 1.00 4.40 H new ATOM 0 HD23 LEU A 100 -13.784 -2.064 12.804 1.00 4.40 H new ATOM 1627 N ASN A 101 -10.054 -2.353 13.625 1.00 2.16 N ATOM 1628 CA ASN A 101 -8.840 -2.525 14.469 1.00 1.99 C ATOM 1629 C ASN A 101 -7.735 -3.179 13.639 1.00 2.07 C ATOM 1630 O ASN A 101 -7.941 -3.554 12.501 1.00 2.81 O ATOM 1631 CB ASN A 101 -9.177 -3.413 15.670 1.00 1.82 C ATOM 1632 CG ASN A 101 -8.714 -4.845 15.398 1.00 2.39 C ATOM 1633 OD1 ASN A 101 -9.147 -5.467 14.447 1.00 3.44 O ATOM 1634 ND2 ASN A 101 -7.846 -5.400 16.199 1.00 2.42 N ATOM 0 H ASN A 101 -10.715 -3.129 13.649 1.00 2.16 H new ATOM 0 HA ASN A 101 -8.499 -1.552 14.824 1.00 1.99 H new ATOM 0 HB2 ASN A 101 -8.692 -3.028 16.567 1.00 1.82 H new ATOM 0 HB3 ASN A 101 -10.251 -3.397 15.857 1.00 1.82 H new ATOM 0 HD21 ASN A 101 -7.531 -6.355 16.027 1.00 2.42 H new ATOM 0 HD22 ASN A 101 -7.482 -4.879 16.997 1.00 2.42 H new ATOM 1641 N SER A 102 -6.563 -3.317 14.197 1.00 1.90 N ATOM 1642 CA SER A 102 -5.446 -3.944 13.438 1.00 2.37 C ATOM 1643 C SER A 102 -5.888 -5.313 12.917 1.00 1.42 C ATOM 1644 O SER A 102 -6.964 -5.786 13.225 1.00 0.99 O ATOM 1645 CB SER A 102 -4.238 -4.116 14.358 1.00 3.14 C ATOM 1646 OG SER A 102 -4.624 -4.865 15.503 1.00 2.18 O ATOM 0 H SER A 102 -6.332 -3.022 15.146 1.00 1.90 H new ATOM 0 HA SER A 102 -5.175 -3.305 12.597 1.00 2.37 H new ATOM 0 HB2 SER A 102 -3.433 -4.627 13.829 1.00 3.14 H new ATOM 0 HB3 SER A 102 -3.854 -3.141 14.659 1.00 3.14 H new ATOM 0 HG SER A 102 -3.851 -4.979 16.095 1.00 2.18 H new ATOM 1652 N CYS A 103 -5.068 -5.951 12.130 1.00 1.29 N ATOM 1653 CA CYS A 103 -5.439 -7.285 11.590 1.00 0.63 C ATOM 1654 C CYS A 103 -4.163 -8.041 11.217 1.00 0.74 C ATOM 1655 O CYS A 103 -3.742 -8.010 10.078 1.00 1.13 O ATOM 1656 CB CYS A 103 -6.302 -7.105 10.340 1.00 1.37 C ATOM 1657 SG CYS A 103 -6.102 -5.423 9.705 1.00 0.68 S ATOM 0 H CYS A 103 -4.155 -5.604 11.838 1.00 1.29 H new ATOM 0 HA CYS A 103 -5.998 -7.845 12.340 1.00 0.63 H new ATOM 0 HB2 CYS A 103 -6.013 -7.829 9.578 1.00 1.37 H new ATOM 0 HB3 CYS A 103 -7.349 -7.293 10.578 1.00 1.37 H new ATOM 1662 N PRO A 104 -3.577 -8.697 12.186 1.00 1.19 N ATOM 1663 CA PRO A 104 -2.342 -9.460 11.965 1.00 1.52 C ATOM 1664 C PRO A 104 -2.524 -10.409 10.781 1.00 0.94 C ATOM 1665 O PRO A 104 -3.170 -11.433 10.890 1.00 1.21 O ATOM 1666 CB PRO A 104 -2.118 -10.230 13.274 1.00 2.33 C ATOM 1667 CG PRO A 104 -3.170 -9.727 14.296 1.00 2.69 C ATOM 1668 CD PRO A 104 -4.096 -8.742 13.564 1.00 1.88 C ATOM 0 HA PRO A 104 -1.487 -8.827 11.725 1.00 1.52 H new ATOM 0 HB2 PRO A 104 -2.224 -11.303 13.111 1.00 2.33 H new ATOM 0 HB3 PRO A 104 -1.108 -10.063 13.649 1.00 2.33 H new ATOM 0 HG2 PRO A 104 -3.742 -10.563 14.699 1.00 2.69 H new ATOM 0 HG3 PRO A 104 -2.682 -9.239 15.139 1.00 2.69 H new ATOM 0 HD2 PRO A 104 -5.132 -9.081 13.586 1.00 1.88 H new ATOM 0 HD3 PRO A 104 -4.073 -7.756 14.029 1.00 1.88 H new ATOM 1676 N VAL A 105 -1.967 -10.056 9.650 1.00 0.64 N ATOM 1677 CA VAL A 105 -2.097 -10.911 8.430 1.00 0.59 C ATOM 1678 C VAL A 105 -1.807 -12.373 8.778 1.00 1.12 C ATOM 1679 O VAL A 105 -0.722 -12.719 9.199 1.00 1.23 O ATOM 1680 CB VAL A 105 -1.100 -10.436 7.371 1.00 0.70 C ATOM 1681 CG1 VAL A 105 -0.774 -11.589 6.422 1.00 2.26 C ATOM 1682 CG2 VAL A 105 -1.714 -9.280 6.577 1.00 1.42 C ATOM 0 H VAL A 105 -1.422 -9.204 9.518 1.00 0.64 H new ATOM 0 HA VAL A 105 -3.114 -10.831 8.045 1.00 0.59 H new ATOM 0 HB VAL A 105 -0.185 -10.099 7.858 1.00 0.70 H new ATOM 0 HG11 VAL A 105 -0.064 -11.250 5.668 1.00 2.26 H new ATOM 0 HG12 VAL A 105 -0.338 -12.413 6.987 1.00 2.26 H new ATOM 0 HG13 VAL A 105 -1.688 -11.928 5.934 1.00 2.26 H new ATOM 0 HG21 VAL A 105 -1.005 -8.940 5.822 1.00 1.42 H new ATOM 0 HG22 VAL A 105 -2.628 -9.618 6.090 1.00 1.42 H new ATOM 0 HG23 VAL A 105 -1.946 -8.457 7.253 1.00 1.42 H new ATOM 1692 N LYS A 106 -2.775 -13.231 8.609 1.00 1.54 N ATOM 1693 CA LYS A 106 -2.565 -14.670 8.932 1.00 2.11 C ATOM 1694 C LYS A 106 -2.203 -15.430 7.655 1.00 1.50 C ATOM 1695 O LYS A 106 -1.128 -15.985 7.537 1.00 0.82 O ATOM 1696 CB LYS A 106 -3.852 -15.252 9.525 1.00 2.91 C ATOM 1697 CG LYS A 106 -4.610 -14.157 10.279 1.00 4.59 C ATOM 1698 CD LYS A 106 -5.731 -14.787 11.106 1.00 5.80 C ATOM 1699 CE LYS A 106 -6.577 -13.682 11.744 1.00 7.21 C ATOM 1700 NZ LYS A 106 -8.012 -14.082 11.728 1.00 8.84 N ATOM 0 H LYS A 106 -3.704 -12.997 8.260 1.00 1.54 H new ATOM 0 HA LYS A 106 -1.755 -14.767 9.655 1.00 2.11 H new ATOM 0 HB2 LYS A 106 -4.477 -15.661 8.732 1.00 2.91 H new ATOM 0 HB3 LYS A 106 -3.614 -16.074 10.200 1.00 2.91 H new ATOM 0 HG2 LYS A 106 -3.928 -13.610 10.930 1.00 4.59 H new ATOM 0 HG3 LYS A 106 -5.025 -13.436 9.574 1.00 4.59 H new ATOM 0 HD2 LYS A 106 -6.355 -15.417 10.472 1.00 5.80 H new ATOM 0 HD3 LYS A 106 -5.310 -15.430 11.879 1.00 5.80 H new ATOM 0 HE2 LYS A 106 -6.250 -13.504 12.768 1.00 7.21 H new ATOM 0 HE3 LYS A 106 -6.443 -12.747 11.200 1.00 7.21 H new ATOM 0 HZ1 LYS A 106 -8.587 -13.331 12.161 1.00 8.84 H new ATOM 0 HZ2 LYS A 106 -8.320 -14.230 10.746 1.00 8.84 H new ATOM 0 HZ3 LYS A 106 -8.133 -14.964 12.266 1.00 8.84 H new ATOM 1714 N GLU A 107 -3.088 -15.457 6.698 1.00 1.84 N ATOM 1715 CA GLU A 107 -2.792 -16.179 5.430 1.00 1.31 C ATOM 1716 C GLU A 107 -1.949 -15.281 4.521 1.00 1.36 C ATOM 1717 O GLU A 107 -2.445 -14.344 3.928 1.00 1.94 O ATOM 1718 CB GLU A 107 -4.101 -16.534 4.723 1.00 1.51 C ATOM 1719 CG GLU A 107 -3.793 -17.138 3.352 1.00 1.90 C ATOM 1720 CD GLU A 107 -4.659 -18.381 3.138 1.00 2.84 C ATOM 1721 OE1 GLU A 107 -5.722 -18.448 3.730 1.00 2.73 O ATOM 1722 OE2 GLU A 107 -4.242 -19.246 2.384 1.00 3.97 O ATOM 0 H GLU A 107 -4.004 -15.010 6.739 1.00 1.84 H new ATOM 0 HA GLU A 107 -2.243 -17.094 5.653 1.00 1.31 H new ATOM 0 HB2 GLU A 107 -4.671 -17.242 5.324 1.00 1.51 H new ATOM 0 HB3 GLU A 107 -4.718 -15.643 4.609 1.00 1.51 H new ATOM 0 HG2 GLU A 107 -3.988 -16.406 2.568 1.00 1.90 H new ATOM 0 HG3 GLU A 107 -2.737 -17.401 3.287 1.00 1.90 H new ATOM 1729 N ALA A 108 -0.680 -15.559 4.407 1.00 1.16 N ATOM 1730 CA ALA A 108 0.191 -14.717 3.538 1.00 1.59 C ATOM 1731 C ALA A 108 1.582 -15.348 3.446 1.00 1.45 C ATOM 1732 O ALA A 108 2.182 -15.696 4.444 1.00 1.35 O ATOM 1733 CB ALA A 108 0.304 -13.314 4.138 1.00 2.27 C ATOM 0 H ALA A 108 -0.208 -16.332 4.877 1.00 1.16 H new ATOM 0 HA ALA A 108 -0.244 -14.651 2.541 1.00 1.59 H new ATOM 0 HB1 ALA A 108 0.941 -12.697 3.504 1.00 2.27 H new ATOM 0 HB2 ALA A 108 -0.687 -12.865 4.203 1.00 2.27 H new ATOM 0 HB3 ALA A 108 0.739 -13.379 5.135 1.00 2.27 H new ATOM 1739 N ASP A 109 2.100 -15.495 2.257 1.00 1.51 N ATOM 1740 CA ASP A 109 3.451 -16.097 2.101 1.00 1.38 C ATOM 1741 C ASP A 109 4.390 -15.067 1.470 1.00 1.07 C ATOM 1742 O ASP A 109 4.006 -13.944 1.211 1.00 1.16 O ATOM 1743 CB ASP A 109 3.360 -17.328 1.194 1.00 1.43 C ATOM 1744 CG ASP A 109 3.932 -18.546 1.923 1.00 1.54 C ATOM 1745 OD1 ASP A 109 4.980 -18.411 2.532 1.00 2.15 O ATOM 1746 OD2 ASP A 109 3.311 -19.596 1.858 1.00 1.45 O ATOM 0 H ASP A 109 1.644 -15.223 1.386 1.00 1.51 H new ATOM 0 HA ASP A 109 3.835 -16.395 3.077 1.00 1.38 H new ATOM 0 HB2 ASP A 109 2.322 -17.512 0.917 1.00 1.43 H new ATOM 0 HB3 ASP A 109 3.911 -17.153 0.270 1.00 1.43 H new ATOM 1751 N GLN A 110 5.615 -15.436 1.218 1.00 0.96 N ATOM 1752 CA GLN A 110 6.567 -14.470 0.605 1.00 0.64 C ATOM 1753 C GLN A 110 6.154 -14.196 -0.840 1.00 0.66 C ATOM 1754 O GLN A 110 6.386 -14.993 -1.727 1.00 0.85 O ATOM 1755 CB GLN A 110 7.981 -15.053 0.623 1.00 0.36 C ATOM 1756 CG GLN A 110 8.947 -14.050 1.259 1.00 0.82 C ATOM 1757 CD GLN A 110 9.316 -14.517 2.669 1.00 1.00 C ATOM 1758 OE1 GLN A 110 9.664 -15.664 2.870 1.00 0.71 O ATOM 1759 NE2 GLN A 110 9.257 -13.670 3.661 1.00 1.79 N ATOM 0 H GLN A 110 5.997 -16.362 1.410 1.00 0.96 H new ATOM 0 HA GLN A 110 6.551 -13.541 1.175 1.00 0.64 H new ATOM 0 HB2 GLN A 110 7.992 -15.988 1.183 1.00 0.36 H new ATOM 0 HB3 GLN A 110 8.301 -15.286 -0.392 1.00 0.36 H new ATOM 0 HG2 GLN A 110 9.845 -13.958 0.649 1.00 0.82 H new ATOM 0 HG3 GLN A 110 8.487 -13.063 1.301 1.00 0.82 H new ATOM 0 HE21 GLN A 110 8.965 -12.707 3.493 1.00 1.79 H new ATOM 0 HE22 GLN A 110 9.503 -13.971 4.604 1.00 1.79 H new ATOM 1768 N SER A 111 5.552 -13.068 -1.084 1.00 0.74 N ATOM 1769 CA SER A 111 5.130 -12.730 -2.470 1.00 0.75 C ATOM 1770 C SER A 111 6.088 -11.683 -3.032 1.00 0.43 C ATOM 1771 O SER A 111 7.059 -11.324 -2.403 1.00 0.48 O ATOM 1772 CB SER A 111 3.710 -12.163 -2.446 1.00 1.02 C ATOM 1773 OG SER A 111 3.768 -10.751 -2.607 1.00 1.53 O ATOM 0 H SER A 111 5.333 -12.363 -0.381 1.00 0.74 H new ATOM 0 HA SER A 111 5.149 -13.624 -3.094 1.00 0.75 H new ATOM 0 HB2 SER A 111 3.114 -12.608 -3.243 1.00 1.02 H new ATOM 0 HB3 SER A 111 3.221 -12.414 -1.505 1.00 1.02 H new ATOM 0 HG SER A 111 2.860 -10.383 -2.594 1.00 1.53 H new ATOM 1779 N THR A 112 5.825 -11.184 -4.206 1.00 0.78 N ATOM 1780 CA THR A 112 6.728 -10.156 -4.789 1.00 0.64 C ATOM 1781 C THR A 112 6.037 -8.793 -4.735 1.00 0.55 C ATOM 1782 O THR A 112 4.864 -8.673 -5.025 1.00 0.62 O ATOM 1783 CB THR A 112 7.048 -10.517 -6.240 1.00 0.84 C ATOM 1784 OG1 THR A 112 5.843 -10.584 -6.988 1.00 1.00 O ATOM 1785 CG2 THR A 112 7.757 -11.872 -6.279 1.00 0.95 C ATOM 0 H THR A 112 5.026 -11.443 -4.785 1.00 0.78 H new ATOM 0 HA THR A 112 7.656 -10.117 -4.219 1.00 0.64 H new ATOM 0 HB THR A 112 7.697 -9.756 -6.673 1.00 0.84 H new ATOM 0 HG1 THR A 112 5.178 -9.983 -6.592 1.00 1.00 H new ATOM 0 HG21 THR A 112 7.987 -12.133 -7.312 1.00 0.95 H new ATOM 0 HG22 THR A 112 8.682 -11.815 -5.705 1.00 0.95 H new ATOM 0 HG23 THR A 112 7.108 -12.635 -5.848 1.00 0.95 H new ATOM 1793 N LEU A 113 6.751 -7.767 -4.359 1.00 0.46 N ATOM 1794 CA LEU A 113 6.127 -6.416 -4.280 1.00 0.45 C ATOM 1795 C LEU A 113 5.729 -5.931 -5.683 1.00 0.42 C ATOM 1796 O LEU A 113 4.951 -5.010 -5.824 1.00 0.49 O ATOM 1797 CB LEU A 113 7.118 -5.429 -3.655 1.00 0.41 C ATOM 1798 CG LEU A 113 6.386 -4.143 -3.250 1.00 0.58 C ATOM 1799 CD1 LEU A 113 5.370 -4.448 -2.147 1.00 0.80 C ATOM 1800 CD2 LEU A 113 7.401 -3.125 -2.725 1.00 0.69 C ATOM 0 H LEU A 113 7.738 -7.806 -4.104 1.00 0.46 H new ATOM 0 HA LEU A 113 5.232 -6.475 -3.661 1.00 0.45 H new ATOM 0 HB2 LEU A 113 7.592 -5.879 -2.782 1.00 0.41 H new ATOM 0 HB3 LEU A 113 7.912 -5.198 -4.365 1.00 0.41 H new ATOM 0 HG LEU A 113 5.868 -3.738 -4.119 1.00 0.58 H new ATOM 0 HD11 LEU A 113 4.854 -3.531 -1.864 1.00 0.80 H new ATOM 0 HD12 LEU A 113 4.644 -5.175 -2.512 1.00 0.80 H new ATOM 0 HD13 LEU A 113 5.887 -4.856 -1.279 1.00 0.80 H new ATOM 0 HD21 LEU A 113 6.883 -2.210 -2.437 1.00 0.69 H new ATOM 0 HD22 LEU A 113 7.916 -3.539 -1.858 1.00 0.69 H new ATOM 0 HD23 LEU A 113 8.128 -2.900 -3.506 1.00 0.69 H new ATOM 1812 N GLU A 114 6.246 -6.537 -6.724 1.00 0.37 N ATOM 1813 CA GLU A 114 5.861 -6.079 -8.100 1.00 0.37 C ATOM 1814 C GLU A 114 4.416 -6.502 -8.387 1.00 0.37 C ATOM 1815 O GLU A 114 3.579 -5.691 -8.736 1.00 0.41 O ATOM 1816 CB GLU A 114 6.799 -6.646 -9.189 1.00 0.38 C ATOM 1817 CG GLU A 114 7.394 -8.001 -8.785 1.00 2.09 C ATOM 1818 CD GLU A 114 8.010 -8.674 -10.013 1.00 2.12 C ATOM 1819 OE1 GLU A 114 7.929 -8.096 -11.084 1.00 1.52 O ATOM 1820 OE2 GLU A 114 8.550 -9.758 -9.861 1.00 2.89 O ATOM 0 H GLU A 114 6.905 -7.314 -6.686 1.00 0.37 H new ATOM 0 HA GLU A 114 5.952 -4.993 -8.129 1.00 0.37 H new ATOM 0 HB2 GLU A 114 6.247 -6.756 -10.122 1.00 0.38 H new ATOM 0 HB3 GLU A 114 7.606 -5.937 -9.378 1.00 0.38 H new ATOM 0 HG2 GLU A 114 8.152 -7.862 -8.014 1.00 2.09 H new ATOM 0 HG3 GLU A 114 6.619 -8.638 -8.358 1.00 2.09 H new ATOM 1827 N ASN A 115 4.107 -7.759 -8.221 1.00 0.32 N ATOM 1828 CA ASN A 115 2.711 -8.218 -8.464 1.00 0.32 C ATOM 1829 C ASN A 115 1.808 -7.683 -7.349 1.00 0.31 C ATOM 1830 O ASN A 115 0.614 -7.556 -7.517 1.00 0.30 O ATOM 1831 CB ASN A 115 2.666 -9.748 -8.467 1.00 0.31 C ATOM 1832 CG ASN A 115 1.954 -10.234 -9.730 1.00 0.96 C ATOM 1833 OD1 ASN A 115 2.580 -10.459 -10.748 1.00 1.71 O ATOM 1834 ND2 ASN A 115 0.660 -10.409 -9.710 1.00 1.63 N ATOM 0 H ASN A 115 4.760 -8.486 -7.928 1.00 0.32 H new ATOM 0 HA ASN A 115 2.366 -7.847 -9.429 1.00 0.32 H new ATOM 0 HB2 ASN A 115 3.677 -10.152 -8.428 1.00 0.31 H new ATOM 0 HB3 ASN A 115 2.144 -10.109 -7.581 1.00 0.31 H new ATOM 0 HD21 ASN A 115 0.176 -10.734 -10.547 1.00 1.63 H new ATOM 0 HD22 ASN A 115 0.133 -10.221 -8.857 1.00 1.63 H new ATOM 1841 N PHE A 116 2.371 -7.361 -6.212 1.00 0.32 N ATOM 1842 CA PHE A 116 1.547 -6.825 -5.096 1.00 0.35 C ATOM 1843 C PHE A 116 0.962 -5.478 -5.519 1.00 0.42 C ATOM 1844 O PHE A 116 -0.229 -5.250 -5.432 1.00 0.35 O ATOM 1845 CB PHE A 116 2.432 -6.633 -3.863 1.00 0.54 C ATOM 1846 CG PHE A 116 1.613 -6.050 -2.737 1.00 0.38 C ATOM 1847 CD1 PHE A 116 0.765 -6.875 -1.990 1.00 0.19 C ATOM 1848 CD2 PHE A 116 1.702 -4.685 -2.441 1.00 0.67 C ATOM 1849 CE1 PHE A 116 0.005 -6.335 -0.946 1.00 0.16 C ATOM 1850 CE2 PHE A 116 0.943 -4.145 -1.396 1.00 0.60 C ATOM 1851 CZ PHE A 116 0.095 -4.970 -0.649 1.00 0.22 C ATOM 0 H PHE A 116 3.367 -7.448 -6.012 1.00 0.32 H new ATOM 0 HA PHE A 116 0.741 -7.520 -4.858 1.00 0.35 H new ATOM 0 HB2 PHE A 116 2.860 -7.588 -3.558 1.00 0.54 H new ATOM 0 HB3 PHE A 116 3.265 -5.971 -4.100 1.00 0.54 H new ATOM 0 HD1 PHE A 116 0.697 -7.928 -2.219 1.00 0.19 H new ATOM 0 HD2 PHE A 116 2.356 -4.049 -3.019 1.00 0.67 H new ATOM 0 HE1 PHE A 116 -0.651 -6.971 -0.370 1.00 0.16 H new ATOM 0 HE2 PHE A 116 1.012 -3.092 -1.166 1.00 0.60 H new ATOM 0 HZ PHE A 116 -0.490 -4.553 0.157 1.00 0.22 H new ATOM 1861 N LEU A 117 1.791 -4.586 -5.993 1.00 0.61 N ATOM 1862 CA LEU A 117 1.282 -3.262 -6.436 1.00 0.75 C ATOM 1863 C LEU A 117 0.312 -3.474 -7.598 1.00 0.71 C ATOM 1864 O LEU A 117 -0.642 -2.742 -7.766 1.00 0.77 O ATOM 1865 CB LEU A 117 2.452 -2.387 -6.890 1.00 0.99 C ATOM 1866 CG LEU A 117 2.934 -1.536 -5.714 1.00 0.73 C ATOM 1867 CD1 LEU A 117 4.438 -1.734 -5.521 1.00 1.38 C ATOM 1868 CD2 LEU A 117 2.646 -0.061 -6.002 1.00 1.83 C ATOM 0 H LEU A 117 2.797 -4.720 -6.091 1.00 0.61 H new ATOM 0 HA LEU A 117 0.769 -2.765 -5.612 1.00 0.75 H new ATOM 0 HB2 LEU A 117 3.266 -3.011 -7.260 1.00 0.99 H new ATOM 0 HB3 LEU A 117 2.142 -1.745 -7.715 1.00 0.99 H new ATOM 0 HG LEU A 117 2.410 -1.839 -4.808 1.00 0.73 H new ATOM 0 HD11 LEU A 117 4.780 -1.127 -4.683 1.00 1.38 H new ATOM 0 HD12 LEU A 117 4.643 -2.785 -5.316 1.00 1.38 H new ATOM 0 HD13 LEU A 117 4.964 -1.432 -6.427 1.00 1.38 H new ATOM 0 HD21 LEU A 117 2.989 0.547 -5.165 1.00 1.83 H new ATOM 0 HD22 LEU A 117 3.170 0.242 -6.909 1.00 1.83 H new ATOM 0 HD23 LEU A 117 1.574 0.081 -6.138 1.00 1.83 H new ATOM 1880 N GLU A 118 0.547 -4.479 -8.396 1.00 0.68 N ATOM 1881 CA GLU A 118 -0.367 -4.752 -9.540 1.00 0.79 C ATOM 1882 C GLU A 118 -1.797 -4.907 -9.012 1.00 0.64 C ATOM 1883 O GLU A 118 -2.687 -4.158 -9.361 1.00 0.60 O ATOM 1884 CB GLU A 118 0.070 -6.043 -10.236 1.00 0.93 C ATOM 1885 CG GLU A 118 -0.735 -6.238 -11.521 1.00 0.89 C ATOM 1886 CD GLU A 118 -0.177 -5.329 -12.618 1.00 0.83 C ATOM 1887 OE1 GLU A 118 0.623 -4.467 -12.295 1.00 1.46 O ATOM 1888 OE2 GLU A 118 -0.561 -5.511 -13.761 1.00 1.48 O ATOM 0 H GLU A 118 1.333 -5.123 -8.305 1.00 0.68 H new ATOM 0 HA GLU A 118 -0.330 -3.928 -10.252 1.00 0.79 H new ATOM 0 HB2 GLU A 118 1.135 -6.000 -10.466 1.00 0.93 H new ATOM 0 HB3 GLU A 118 -0.078 -6.894 -9.571 1.00 0.93 H new ATOM 0 HG2 GLU A 118 -0.687 -7.280 -11.838 1.00 0.89 H new ATOM 0 HG3 GLU A 118 -1.785 -6.008 -11.343 1.00 0.89 H new ATOM 1895 N ARG A 119 -2.012 -5.875 -8.163 1.00 0.59 N ATOM 1896 CA ARG A 119 -3.374 -6.093 -7.590 1.00 0.54 C ATOM 1897 C ARG A 119 -3.734 -4.954 -6.625 1.00 0.35 C ATOM 1898 O ARG A 119 -4.861 -4.842 -6.190 1.00 0.50 O ATOM 1899 CB ARG A 119 -3.392 -7.418 -6.828 1.00 0.57 C ATOM 1900 CG ARG A 119 -2.735 -8.507 -7.680 1.00 0.36 C ATOM 1901 CD ARG A 119 -3.182 -8.355 -9.136 1.00 1.19 C ATOM 1902 NE ARG A 119 -3.122 -9.682 -9.816 1.00 0.96 N ATOM 1903 CZ ARG A 119 -3.724 -9.882 -10.966 1.00 1.69 C ATOM 1904 NH1 ARG A 119 -4.393 -8.921 -11.559 1.00 2.77 N ATOM 1905 NH2 ARG A 119 -3.655 -11.056 -11.532 1.00 1.68 N ATOM 0 H ARG A 119 -1.299 -6.529 -7.839 1.00 0.59 H new ATOM 0 HA ARG A 119 -4.101 -6.116 -8.402 1.00 0.54 H new ATOM 0 HB2 ARG A 119 -2.862 -7.313 -5.882 1.00 0.57 H new ATOM 0 HB3 ARG A 119 -4.418 -7.698 -6.589 1.00 0.57 H new ATOM 0 HG2 ARG A 119 -1.650 -8.432 -7.612 1.00 0.36 H new ATOM 0 HG3 ARG A 119 -3.010 -9.493 -7.305 1.00 0.36 H new ATOM 0 HD2 ARG A 119 -4.197 -7.959 -9.177 1.00 1.19 H new ATOM 0 HD3 ARG A 119 -2.540 -7.641 -9.652 1.00 1.19 H new ATOM 0 HE ARG A 119 -2.605 -10.446 -9.381 1.00 0.96 H new ATOM 0 HH11 ARG A 119 -4.452 -7.999 -11.127 1.00 2.77 H new ATOM 0 HH12 ARG A 119 -4.854 -9.096 -12.452 1.00 2.77 H new ATOM 0 HH21 ARG A 119 -3.136 -11.810 -11.081 1.00 1.68 H new ATOM 0 HH22 ARG A 119 -4.120 -11.220 -12.425 1.00 1.68 H new ATOM 1919 N LEU A 120 -2.799 -4.109 -6.279 1.00 0.21 N ATOM 1920 CA LEU A 120 -3.122 -2.994 -5.347 1.00 0.07 C ATOM 1921 C LEU A 120 -3.913 -1.927 -6.107 1.00 0.17 C ATOM 1922 O LEU A 120 -4.856 -1.360 -5.595 1.00 0.36 O ATOM 1923 CB LEU A 120 -1.827 -2.388 -4.803 1.00 0.35 C ATOM 1924 CG LEU A 120 -2.020 -2.003 -3.335 1.00 0.70 C ATOM 1925 CD1 LEU A 120 -0.656 -1.836 -2.663 1.00 0.94 C ATOM 1926 CD2 LEU A 120 -2.790 -0.683 -3.255 1.00 1.20 C ATOM 0 H LEU A 120 -1.832 -4.144 -6.600 1.00 0.21 H new ATOM 0 HA LEU A 120 -3.716 -3.368 -4.513 1.00 0.07 H new ATOM 0 HB2 LEU A 120 -1.010 -3.104 -4.898 1.00 0.35 H new ATOM 0 HB3 LEU A 120 -1.551 -1.510 -5.387 1.00 0.35 H new ATOM 0 HG LEU A 120 -2.580 -2.787 -2.826 1.00 0.70 H new ATOM 0 HD11 LEU A 120 -0.797 -1.562 -1.617 1.00 0.94 H new ATOM 0 HD12 LEU A 120 -0.104 -2.774 -2.721 1.00 0.94 H new ATOM 0 HD13 LEU A 120 -0.094 -1.053 -3.171 1.00 0.94 H new ATOM 0 HD21 LEU A 120 -2.929 -0.406 -2.210 1.00 1.20 H new ATOM 0 HD22 LEU A 120 -2.227 0.098 -3.766 1.00 1.20 H new ATOM 0 HD23 LEU A 120 -3.763 -0.800 -3.732 1.00 1.20 H new ATOM 1938 N LYS A 121 -3.542 -1.657 -7.329 1.00 0.44 N ATOM 1939 CA LYS A 121 -4.279 -0.636 -8.126 1.00 0.61 C ATOM 1940 C LYS A 121 -5.573 -1.249 -8.646 1.00 0.69 C ATOM 1941 O LYS A 121 -6.643 -0.693 -8.502 1.00 0.87 O ATOM 1942 CB LYS A 121 -3.423 -0.197 -9.315 1.00 0.79 C ATOM 1943 CG LYS A 121 -3.880 1.183 -9.792 1.00 1.02 C ATOM 1944 CD LYS A 121 -2.887 1.723 -10.824 1.00 0.65 C ATOM 1945 CE LYS A 121 -3.006 0.919 -12.121 1.00 0.36 C ATOM 1946 NZ LYS A 121 -2.600 1.773 -13.272 1.00 0.89 N ATOM 0 H LYS A 121 -2.759 -2.100 -7.810 1.00 0.44 H new ATOM 0 HA LYS A 121 -4.500 0.226 -7.497 1.00 0.61 H new ATOM 0 HB2 LYS A 121 -2.372 -0.164 -9.028 1.00 0.79 H new ATOM 0 HB3 LYS A 121 -3.509 -0.921 -10.126 1.00 0.79 H new ATOM 0 HG2 LYS A 121 -4.876 1.116 -10.230 1.00 1.02 H new ATOM 0 HG3 LYS A 121 -3.949 1.867 -8.946 1.00 1.02 H new ATOM 0 HD2 LYS A 121 -3.086 2.777 -11.018 1.00 0.65 H new ATOM 0 HD3 LYS A 121 -1.871 1.657 -10.435 1.00 0.65 H new ATOM 0 HE2 LYS A 121 -2.374 0.032 -12.071 1.00 0.36 H new ATOM 0 HE3 LYS A 121 -4.031 0.573 -12.255 1.00 0.36 H new ATOM 0 HZ1 LYS A 121 -2.680 1.228 -14.154 1.00 0.89 H new ATOM 0 HZ2 LYS A 121 -3.221 2.606 -13.322 1.00 0.89 H new ATOM 0 HZ3 LYS A 121 -1.615 2.082 -13.145 1.00 0.89 H new ATOM 1960 N THR A 122 -5.474 -2.393 -9.255 1.00 0.63 N ATOM 1961 CA THR A 122 -6.691 -3.063 -9.801 1.00 0.72 C ATOM 1962 C THR A 122 -7.749 -3.189 -8.702 1.00 0.68 C ATOM 1963 O THR A 122 -8.894 -2.826 -8.880 1.00 0.82 O ATOM 1964 CB THR A 122 -6.334 -4.464 -10.320 1.00 0.71 C ATOM 1965 OG1 THR A 122 -5.014 -4.813 -9.933 1.00 0.65 O ATOM 1966 CG2 THR A 122 -6.434 -4.479 -11.844 1.00 0.81 C ATOM 0 H THR A 122 -4.600 -2.899 -9.401 1.00 0.63 H new ATOM 0 HA THR A 122 -7.083 -2.463 -10.622 1.00 0.72 H new ATOM 0 HB THR A 122 -7.030 -5.186 -9.894 1.00 0.71 H new ATOM 0 HG1 THR A 122 -4.742 -5.631 -10.398 1.00 0.65 H new ATOM 0 HG21 THR A 122 -6.181 -5.472 -12.215 1.00 0.81 H new ATOM 0 HG22 THR A 122 -7.451 -4.227 -12.144 1.00 0.81 H new ATOM 0 HG23 THR A 122 -5.741 -3.748 -12.261 1.00 0.81 H new ATOM 1974 N ILE A 123 -7.373 -3.715 -7.575 1.00 0.55 N ATOM 1975 CA ILE A 123 -8.346 -3.891 -6.456 1.00 0.62 C ATOM 1976 C ILE A 123 -8.824 -2.531 -5.936 1.00 0.75 C ATOM 1977 O ILE A 123 -9.969 -2.365 -5.579 1.00 0.88 O ATOM 1978 CB ILE A 123 -7.671 -4.654 -5.314 1.00 0.58 C ATOM 1979 CG1 ILE A 123 -7.377 -6.094 -5.753 1.00 0.50 C ATOM 1980 CG2 ILE A 123 -8.591 -4.670 -4.093 1.00 0.78 C ATOM 1981 CD1 ILE A 123 -8.679 -6.794 -6.150 1.00 0.57 C ATOM 0 H ILE A 123 -6.425 -4.035 -7.375 1.00 0.55 H new ATOM 0 HA ILE A 123 -9.206 -4.449 -6.826 1.00 0.62 H new ATOM 0 HB ILE A 123 -6.735 -4.158 -5.057 1.00 0.58 H new ATOM 0 HG12 ILE A 123 -6.684 -6.093 -6.594 1.00 0.50 H new ATOM 0 HG13 ILE A 123 -6.894 -6.639 -4.942 1.00 0.50 H new ATOM 0 HG21 ILE A 123 -8.108 -5.214 -3.281 1.00 0.78 H new ATOM 0 HG22 ILE A 123 -8.792 -3.647 -3.775 1.00 0.78 H new ATOM 0 HG23 ILE A 123 -9.529 -5.161 -4.351 1.00 0.78 H new ATOM 0 HD11 ILE A 123 -8.462 -7.816 -6.461 1.00 0.57 H new ATOM 0 HD12 ILE A 123 -9.358 -6.810 -5.298 1.00 0.57 H new ATOM 0 HD13 ILE A 123 -9.145 -6.255 -6.975 1.00 0.57 H new ATOM 1993 N MET A 124 -7.963 -1.561 -5.870 1.00 0.72 N ATOM 1994 CA MET A 124 -8.391 -0.230 -5.349 1.00 0.87 C ATOM 1995 C MET A 124 -9.440 0.391 -6.270 1.00 1.06 C ATOM 1996 O MET A 124 -10.251 1.176 -5.832 1.00 1.20 O ATOM 1997 CB MET A 124 -7.175 0.690 -5.246 1.00 0.70 C ATOM 1998 CG MET A 124 -6.358 0.296 -4.015 1.00 0.83 C ATOM 1999 SD MET A 124 -6.745 1.417 -2.652 1.00 0.64 S ATOM 2000 CE MET A 124 -5.966 2.883 -3.364 1.00 0.63 C ATOM 0 H MET A 124 -6.985 -1.627 -6.152 1.00 0.72 H new ATOM 0 HA MET A 124 -8.833 -0.360 -4.361 1.00 0.87 H new ATOM 0 HB2 MET A 124 -6.564 0.609 -6.145 1.00 0.70 H new ATOM 0 HB3 MET A 124 -7.494 1.729 -5.170 1.00 0.70 H new ATOM 0 HG2 MET A 124 -6.583 -0.732 -3.730 1.00 0.83 H new ATOM 0 HG3 MET A 124 -5.293 0.338 -4.243 1.00 0.83 H new ATOM 0 HE1 MET A 124 -6.643 3.733 -3.278 1.00 0.63 H new ATOM 0 HE2 MET A 124 -5.041 3.100 -2.829 1.00 0.63 H new ATOM 0 HE3 MET A 124 -5.743 2.702 -4.416 1.00 0.63 H new ATOM 2010 N ARG A 125 -9.437 0.056 -7.531 1.00 1.29 N ATOM 2011 CA ARG A 125 -10.443 0.655 -8.460 1.00 1.56 C ATOM 2012 C ARG A 125 -11.711 -0.205 -8.521 1.00 1.82 C ATOM 2013 O ARG A 125 -12.776 0.208 -8.106 1.00 2.55 O ATOM 2014 CB ARG A 125 -9.839 0.766 -9.864 1.00 1.64 C ATOM 2015 CG ARG A 125 -10.653 1.765 -10.688 1.00 2.02 C ATOM 2016 CD ARG A 125 -10.524 1.431 -12.175 1.00 2.26 C ATOM 2017 NE ARG A 125 -11.545 0.410 -12.550 1.00 4.00 N ATOM 2018 CZ ARG A 125 -11.848 0.183 -13.810 1.00 4.76 C ATOM 2019 NH1 ARG A 125 -11.274 0.854 -14.781 1.00 4.16 N ATOM 2020 NH2 ARG A 125 -12.739 -0.726 -14.099 1.00 6.31 N ATOM 0 H ARG A 125 -8.786 -0.603 -7.959 1.00 1.29 H new ATOM 0 HA ARG A 125 -10.710 1.644 -8.088 1.00 1.56 H new ATOM 0 HB2 ARG A 125 -8.800 1.090 -9.801 1.00 1.64 H new ATOM 0 HB3 ARG A 125 -9.839 -0.209 -10.350 1.00 1.64 H new ATOM 0 HG2 ARG A 125 -11.700 1.732 -10.387 1.00 2.02 H new ATOM 0 HG3 ARG A 125 -10.300 2.779 -10.501 1.00 2.02 H new ATOM 0 HD2 ARG A 125 -10.659 2.332 -12.773 1.00 2.26 H new ATOM 0 HD3 ARG A 125 -9.523 1.054 -12.388 1.00 2.26 H new ATOM 0 HE ARG A 125 -12.016 -0.121 -11.817 1.00 4.00 H new ATOM 0 HH11 ARG A 125 -10.578 1.568 -14.566 1.00 4.16 H new ATOM 0 HH12 ARG A 125 -11.524 0.662 -15.751 1.00 4.16 H new ATOM 0 HH21 ARG A 125 -13.192 -1.252 -13.352 1.00 6.31 H new ATOM 0 HH22 ARG A 125 -12.982 -0.911 -15.072 1.00 6.31 H new ATOM 2034 N GLU A 126 -11.610 -1.386 -9.058 1.00 1.34 N ATOM 2035 CA GLU A 126 -12.808 -2.267 -9.176 1.00 1.54 C ATOM 2036 C GLU A 126 -13.480 -2.459 -7.813 1.00 1.65 C ATOM 2037 O GLU A 126 -14.656 -2.751 -7.733 1.00 2.13 O ATOM 2038 CB GLU A 126 -12.374 -3.632 -9.717 1.00 1.37 C ATOM 2039 CG GLU A 126 -13.336 -4.079 -10.820 1.00 1.61 C ATOM 2040 CD GLU A 126 -13.314 -5.605 -10.927 1.00 2.06 C ATOM 2041 OE1 GLU A 126 -12.503 -6.115 -11.682 1.00 1.54 O ATOM 2042 OE2 GLU A 126 -14.108 -6.238 -10.251 1.00 3.13 O ATOM 0 H GLU A 126 -10.745 -1.784 -9.423 1.00 1.34 H new ATOM 0 HA GLU A 126 -13.521 -1.798 -9.854 1.00 1.54 H new ATOM 0 HB2 GLU A 126 -11.359 -3.573 -10.109 1.00 1.37 H new ATOM 0 HB3 GLU A 126 -12.362 -4.366 -8.912 1.00 1.37 H new ATOM 0 HG2 GLU A 126 -14.346 -3.734 -10.599 1.00 1.61 H new ATOM 0 HG3 GLU A 126 -13.048 -3.633 -11.772 1.00 1.61 H new ATOM 2049 N LYS A 127 -12.749 -2.326 -6.740 1.00 1.32 N ATOM 2050 CA LYS A 127 -13.368 -2.535 -5.399 1.00 1.67 C ATOM 2051 C LYS A 127 -13.911 -1.220 -4.820 1.00 1.77 C ATOM 2052 O LYS A 127 -15.029 -1.171 -4.347 1.00 1.90 O ATOM 2053 CB LYS A 127 -12.339 -3.140 -4.445 1.00 1.59 C ATOM 2054 CG LYS A 127 -13.048 -4.077 -3.468 1.00 2.18 C ATOM 2055 CD LYS A 127 -13.587 -5.291 -4.229 1.00 1.36 C ATOM 2056 CE LYS A 127 -12.829 -6.546 -3.796 1.00 2.12 C ATOM 2057 NZ LYS A 127 -13.441 -7.743 -4.441 1.00 2.00 N ATOM 0 H LYS A 127 -11.758 -2.084 -6.732 1.00 1.32 H new ATOM 0 HA LYS A 127 -14.207 -3.221 -5.516 1.00 1.67 H new ATOM 0 HB2 LYS A 127 -11.582 -3.687 -5.007 1.00 1.59 H new ATOM 0 HB3 LYS A 127 -11.823 -2.350 -3.900 1.00 1.59 H new ATOM 0 HG2 LYS A 127 -12.357 -4.399 -2.689 1.00 2.18 H new ATOM 0 HG3 LYS A 127 -13.865 -3.553 -2.972 1.00 2.18 H new ATOM 0 HD2 LYS A 127 -14.652 -5.412 -4.033 1.00 1.36 H new ATOM 0 HD3 LYS A 127 -13.475 -5.139 -5.303 1.00 1.36 H new ATOM 0 HE2 LYS A 127 -11.779 -6.465 -4.077 1.00 2.12 H new ATOM 0 HE3 LYS A 127 -12.862 -6.647 -2.711 1.00 2.12 H new ATOM 0 HZ1 LYS A 127 -12.926 -8.597 -4.147 1.00 2.00 H new ATOM 0 HZ2 LYS A 127 -14.437 -7.822 -4.152 1.00 2.00 H new ATOM 0 HZ3 LYS A 127 -13.388 -7.645 -5.475 1.00 2.00 H new ATOM 2071 N TYR A 128 -13.148 -0.152 -4.833 1.00 1.71 N ATOM 2072 CA TYR A 128 -13.678 1.122 -4.254 1.00 1.83 C ATOM 2073 C TYR A 128 -14.762 1.723 -5.162 1.00 2.04 C ATOM 2074 O TYR A 128 -15.409 2.687 -4.801 1.00 2.33 O ATOM 2075 CB TYR A 128 -12.539 2.129 -4.068 1.00 1.53 C ATOM 2076 CG TYR A 128 -12.594 3.183 -5.150 1.00 0.83 C ATOM 2077 CD1 TYR A 128 -12.328 2.836 -6.476 1.00 1.58 C ATOM 2078 CD2 TYR A 128 -12.898 4.510 -4.824 1.00 2.45 C ATOM 2079 CE1 TYR A 128 -12.367 3.808 -7.479 1.00 3.29 C ATOM 2080 CE2 TYR A 128 -12.936 5.485 -5.826 1.00 3.83 C ATOM 2081 CZ TYR A 128 -12.669 5.134 -7.155 1.00 4.20 C ATOM 2082 OH TYR A 128 -12.706 6.097 -8.144 1.00 5.97 O ATOM 0 H TYR A 128 -12.202 -0.107 -5.211 1.00 1.71 H new ATOM 0 HA TYR A 128 -14.122 0.899 -3.284 1.00 1.83 H new ATOM 0 HB2 TYR A 128 -12.616 2.599 -3.088 1.00 1.53 H new ATOM 0 HB3 TYR A 128 -11.579 1.614 -4.100 1.00 1.53 H new ATOM 0 HD1 TYR A 128 -12.091 1.813 -6.727 1.00 1.58 H new ATOM 0 HD2 TYR A 128 -13.103 4.781 -3.799 1.00 2.45 H new ATOM 0 HE1 TYR A 128 -12.164 3.535 -8.504 1.00 3.29 H new ATOM 0 HE2 TYR A 128 -13.171 6.509 -5.575 1.00 3.83 H new ATOM 0 HH TYR A 128 -12.932 6.964 -7.748 1.00 5.97 H new ATOM 2092 N SER A 129 -14.982 1.172 -6.331 1.00 1.95 N ATOM 2093 CA SER A 129 -16.034 1.731 -7.228 1.00 2.19 C ATOM 2094 C SER A 129 -17.381 1.040 -6.963 1.00 2.55 C ATOM 2095 O SER A 129 -18.266 1.060 -7.795 1.00 2.85 O ATOM 2096 CB SER A 129 -15.631 1.507 -8.686 1.00 1.87 C ATOM 2097 OG SER A 129 -15.013 2.685 -9.189 1.00 1.85 O ATOM 0 H SER A 129 -14.480 0.364 -6.699 1.00 1.95 H new ATOM 0 HA SER A 129 -16.136 2.798 -7.031 1.00 2.19 H new ATOM 0 HB2 SER A 129 -14.946 0.663 -8.760 1.00 1.87 H new ATOM 0 HB3 SER A 129 -16.508 1.259 -9.284 1.00 1.87 H new ATOM 0 HG SER A 129 -14.245 2.917 -8.626 1.00 1.85 H new ATOM 2103 N LYS A 130 -17.551 0.429 -5.817 1.00 2.65 N ATOM 2104 CA LYS A 130 -18.842 -0.251 -5.521 1.00 3.06 C ATOM 2105 C LYS A 130 -19.466 0.364 -4.267 1.00 2.98 C ATOM 2106 O LYS A 130 -20.142 -0.302 -3.508 1.00 3.39 O ATOM 2107 CB LYS A 130 -18.591 -1.742 -5.285 1.00 3.43 C ATOM 2108 CG LYS A 130 -17.926 -2.353 -6.521 1.00 3.63 C ATOM 2109 CD LYS A 130 -18.763 -3.529 -7.028 1.00 3.64 C ATOM 2110 CE LYS A 130 -17.840 -4.685 -7.419 1.00 4.46 C ATOM 2111 NZ LYS A 130 -17.023 -4.293 -8.603 1.00 4.53 N ATOM 0 H LYS A 130 -16.851 0.374 -5.077 1.00 2.65 H new ATOM 0 HA LYS A 130 -19.520 -0.125 -6.365 1.00 3.06 H new ATOM 0 HB2 LYS A 130 -17.954 -1.880 -4.411 1.00 3.43 H new ATOM 0 HB3 LYS A 130 -19.532 -2.251 -5.077 1.00 3.43 H new ATOM 0 HG2 LYS A 130 -17.828 -1.600 -7.303 1.00 3.63 H new ATOM 0 HG3 LYS A 130 -16.919 -2.690 -6.275 1.00 3.63 H new ATOM 0 HD2 LYS A 130 -19.460 -3.852 -6.255 1.00 3.64 H new ATOM 0 HD3 LYS A 130 -19.360 -3.220 -7.886 1.00 3.64 H new ATOM 0 HE2 LYS A 130 -17.189 -4.942 -6.584 1.00 4.46 H new ATOM 0 HE3 LYS A 130 -18.429 -5.573 -7.649 1.00 4.46 H new ATOM 0 HZ1 LYS A 130 -16.716 -5.147 -9.111 1.00 4.53 H new ATOM 0 HZ2 LYS A 130 -17.594 -3.699 -9.237 1.00 4.53 H new ATOM 0 HZ3 LYS A 130 -16.188 -3.759 -8.287 1.00 4.53 H new ATOM 2125 N CYS A 131 -19.245 1.630 -4.043 1.00 2.52 N ATOM 2126 CA CYS A 131 -19.824 2.287 -2.837 1.00 2.50 C ATOM 2127 C CYS A 131 -20.858 3.327 -3.273 1.00 2.24 C ATOM 2128 O CYS A 131 -21.886 3.496 -2.647 1.00 2.45 O ATOM 2129 CB CYS A 131 -18.708 2.975 -2.047 1.00 2.39 C ATOM 2130 SG CYS A 131 -19.000 2.760 -0.273 1.00 2.93 S ATOM 0 H CYS A 131 -18.688 2.238 -4.643 1.00 2.52 H new ATOM 0 HA CYS A 131 -20.305 1.538 -2.208 1.00 2.50 H new ATOM 0 HB2 CYS A 131 -17.741 2.553 -2.321 1.00 2.39 H new ATOM 0 HB3 CYS A 131 -18.674 4.036 -2.294 1.00 2.39 H new ATOM 2135 N SER A 132 -20.594 4.025 -4.344 1.00 1.85 N ATOM 2136 CA SER A 132 -21.562 5.055 -4.820 1.00 1.67 C ATOM 2137 C SER A 132 -22.165 4.607 -6.154 1.00 1.53 C ATOM 2138 O SER A 132 -21.879 3.534 -6.646 1.00 1.88 O ATOM 2139 CB SER A 132 -20.837 6.387 -5.010 1.00 1.32 C ATOM 2140 OG SER A 132 -20.306 6.815 -3.763 1.00 2.24 O ATOM 0 H SER A 132 -19.751 3.927 -4.910 1.00 1.85 H new ATOM 0 HA SER A 132 -22.356 5.177 -4.083 1.00 1.67 H new ATOM 0 HB2 SER A 132 -20.036 6.277 -5.741 1.00 1.32 H new ATOM 0 HB3 SER A 132 -21.525 7.136 -5.402 1.00 1.32 H new ATOM 0 HG SER A 132 -19.839 7.668 -3.882 1.00 2.24 H new ATOM 2146 N SER A 133 -22.999 5.421 -6.742 1.00 1.40 N ATOM 2147 CA SER A 133 -23.618 5.040 -8.042 1.00 1.55 C ATOM 2148 C SER A 133 -23.818 6.291 -8.901 1.00 1.79 C ATOM 2149 O SER A 133 -24.121 7.330 -8.337 1.00 2.28 O ATOM 2150 CB SER A 133 -24.973 4.377 -7.788 1.00 2.34 C ATOM 2151 OG SER A 133 -24.792 3.248 -6.942 1.00 2.57 O ATOM 2152 OXT SER A 133 -23.663 6.189 -10.106 1.00 2.54 O ATOM 0 H SER A 133 -23.278 6.332 -6.378 1.00 1.40 H new ATOM 0 HA SER A 133 -22.963 4.342 -8.563 1.00 1.55 H new ATOM 0 HB2 SER A 133 -25.657 5.087 -7.324 1.00 2.34 H new ATOM 0 HB3 SER A 133 -25.423 4.070 -8.732 1.00 2.34 H new ATOM 0 HG SER A 133 -25.659 2.822 -6.776 1.00 2.57 H new TER 2158 SER A 133