USER MOD reduce.3.24.130724 H: found=0, std=0, add=867, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 870 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 57 THR OG1 : rot 108:sc= 1.34 USER MOD Set 1.2: A 128 HIS : no HD1:sc= -2.86 X(o=-1.5,f=-2) USER MOD Set 2.1: A 73 THR OG1 : rot 180:sc= 0.0828 USER MOD Set 2.2: A 76 HIS : no HD1:sc= -2.5! K(o=-2.4!,f=-1.6) USER MOD Single : A 29 MET CE :methyl 159:sc= -0.113 (180deg=-0.641) USER MOD Single : A 31 CYS SG : rot -2:sc= 0.159 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0241 USER MOD Single : A 42 LYS NZ :NH3+ -156:sc= 0.386 (180deg=0.0153) USER MOD Single : A 44 MET CE :methyl -125:sc= -0.0131 (180deg=-2.18!) USER MOD Single : A 45 MET CE :methyl 127:sc= -7.42! (180deg=-10.2!) USER MOD Single : A 46 SER OG : rot -147:sc= 0.948 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 50 LYS NZ :NH3+ 162:sc= 1.28 (180deg=1.09) USER MOD Single : A 52 THR OG1 : rot -39:sc= 0.208 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 169:sc= -0.034 (180deg=-0.181) USER MOD Single : A 60 GLN : amide:sc= -7.17! C(o=-7.2!,f=-6.7!) USER MOD Single : A 61 GLN : amide:sc= -1.38 K(o=-1.4,f=-0.13) USER MOD Single : A 67 LYS NZ :NH3+ 172:sc= 0.578 (180deg=0.541) USER MOD Single : A 71 GLN : amide:sc= -10! C(o=-10!,f=-8.9!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -160:sc= -0.289 (180deg=-1) USER MOD Single : A 86 ASN : amide:sc= -2.23! K(o=-2.2!,f=-1.2) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.838 X(o=-0.84,f=-0.52) USER MOD Single : A 97 LYS NZ :NH3+ -162:sc= -0.135 (180deg=-0.483) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -111:sc= -1.62 (180deg=-2.48!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot -19:sc= -1.51! USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD Single : A 133 GLN : amide:sc= -2.19! X(o=-2.2!,f=-2.2) USER MOD Single : A 134 LYS NZ :NH3+ -120:sc= 0.616 (180deg=-0.0918) USER MOD Single : A 138 LYS NZ :NH3+ -166:sc= -0.0367 (180deg=-0.244) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 29 -29.968 4.868 -7.495 1.00 15.50 N ATOM 2 CA MET A 29 -30.636 3.580 -7.203 1.00 14.89 C ATOM 3 C MET A 29 -30.852 3.438 -5.705 1.00 14.63 C ATOM 4 O MET A 29 -29.925 3.647 -4.923 1.00 14.97 O ATOM 5 CB MET A 29 -29.792 2.411 -7.713 1.00 14.83 C ATOM 6 CG MET A 29 -30.469 1.059 -7.550 1.00 15.02 C ATOM 7 SD MET A 29 -29.426 -0.316 -8.070 1.00 15.45 S ATOM 8 CE MET A 29 -28.098 -0.206 -6.873 1.00 15.28 C ATOM 0 HA MET A 29 -31.600 3.566 -7.712 1.00 14.89 H new ATOM 0 HB2 MET A 29 -29.564 2.570 -8.767 1.00 14.83 H new ATOM 0 HB3 MET A 29 -28.841 2.399 -7.180 1.00 14.83 H new ATOM 0 HG2 MET A 29 -30.748 0.922 -6.505 1.00 15.02 H new ATOM 0 HG3 MET A 29 -31.392 1.048 -8.130 1.00 15.02 H new ATOM 0 HE1 MET A 29 -27.585 -1.165 -6.810 1.00 15.28 H new ATOM 0 HE2 MET A 29 -27.391 0.564 -7.183 1.00 15.28 H new ATOM 0 HE3 MET A 29 -28.509 0.051 -5.896 1.00 15.28 H new ATOM 20 N GLU A 30 -32.073 3.075 -5.318 1.00 14.20 N ATOM 21 CA GLU A 30 -32.441 2.956 -3.908 1.00 14.13 C ATOM 22 C GLU A 30 -32.130 4.262 -3.172 1.00 14.36 C ATOM 23 O GLU A 30 -32.445 5.351 -3.662 1.00 14.15 O ATOM 24 CB GLU A 30 -31.696 1.786 -3.247 1.00 13.38 C ATOM 25 CG GLU A 30 -31.870 0.446 -3.950 1.00 12.84 C ATOM 26 CD GLU A 30 -33.321 0.020 -4.069 1.00 13.13 C ATOM 27 OE1 GLU A 30 -33.888 -0.480 -3.073 1.00 13.36 O ATOM 28 OE2 GLU A 30 -33.908 0.182 -5.157 1.00 13.30 O ATOM 0 H GLU A 30 -32.830 2.857 -5.966 1.00 14.20 H new ATOM 0 HA GLU A 30 -33.511 2.759 -3.847 1.00 14.13 H new ATOM 0 HB2 GLU A 30 -30.633 2.025 -3.207 1.00 13.38 H new ATOM 0 HB3 GLU A 30 -32.040 1.689 -2.217 1.00 13.38 H new ATOM 0 HG2 GLU A 30 -31.432 0.506 -4.946 1.00 12.84 H new ATOM 0 HG3 GLU A 30 -31.317 -0.318 -3.404 1.00 12.84 H new ATOM 35 N CYS A 31 -31.516 4.149 -2.003 1.00 14.95 N ATOM 36 CA CYS A 31 -31.083 5.310 -1.240 1.00 15.43 C ATOM 37 C CYS A 31 -29.784 4.987 -0.509 1.00 15.40 C ATOM 38 O CYS A 31 -29.374 3.828 -0.474 1.00 15.27 O ATOM 39 CB CYS A 31 -32.159 5.732 -0.235 1.00 16.40 C ATOM 40 SG CYS A 31 -33.761 6.112 -0.980 1.00 17.05 S ATOM 0 H CYS A 31 -31.305 3.255 -1.559 1.00 14.95 H new ATOM 0 HA CYS A 31 -30.916 6.138 -1.929 1.00 15.43 H new ATOM 0 HB2 CYS A 31 -32.291 4.934 0.495 1.00 16.40 H new ATOM 0 HB3 CYS A 31 -31.808 6.608 0.310 1.00 16.40 H new ATOM 0 HG CYS A 31 -33.681 5.982 -2.271 1.00 17.05 H new ATOM 46 N ALA A 32 -29.146 5.989 0.080 1.00 15.67 N ATOM 47 CA ALA A 32 -27.913 5.770 0.832 1.00 15.86 C ATOM 48 C ALA A 32 -28.183 4.913 2.065 1.00 15.04 C ATOM 49 O ALA A 32 -27.331 4.137 2.508 1.00 15.00 O ATOM 50 CB ALA A 32 -27.291 7.100 1.233 1.00 16.57 C ATOM 0 H ALA A 32 -29.459 6.960 0.053 1.00 15.67 H new ATOM 0 HA ALA A 32 -27.209 5.239 0.192 1.00 15.86 H new ATOM 0 HB1 ALA A 32 -26.373 6.919 1.792 1.00 16.57 H new ATOM 0 HB2 ALA A 32 -27.062 7.679 0.338 1.00 16.57 H new ATOM 0 HB3 ALA A 32 -27.992 7.656 1.856 1.00 16.57 H new ATOM 56 N ASP A 33 -29.386 5.055 2.607 1.00 14.54 N ATOM 57 CA ASP A 33 -29.810 4.283 3.773 1.00 13.85 C ATOM 58 C ASP A 33 -30.254 2.882 3.378 1.00 12.87 C ATOM 59 O ASP A 33 -30.476 2.027 4.234 1.00 12.61 O ATOM 60 CB ASP A 33 -30.956 4.989 4.498 1.00 14.29 C ATOM 61 CG ASP A 33 -30.503 6.210 5.266 1.00 14.46 C ATOM 62 OD1 ASP A 33 -30.209 7.241 4.626 1.00 14.55 O ATOM 63 OD2 ASP A 33 -30.428 6.144 6.508 1.00 14.65 O ATOM 0 H ASP A 33 -30.092 5.702 2.256 1.00 14.54 H new ATOM 0 HA ASP A 33 -28.951 4.204 4.440 1.00 13.85 H new ATOM 0 HB2 ASP A 33 -31.713 5.284 3.771 1.00 14.29 H new ATOM 0 HB3 ASP A 33 -31.430 4.289 5.186 1.00 14.29 H new ATOM 68 N VAL A 34 -30.385 2.653 2.081 1.00 12.51 N ATOM 69 CA VAL A 34 -30.830 1.365 1.575 1.00 11.75 C ATOM 70 C VAL A 34 -29.630 0.536 1.132 1.00 10.55 C ATOM 71 O VAL A 34 -28.772 1.020 0.392 1.00 10.22 O ATOM 72 CB VAL A 34 -31.814 1.532 0.396 1.00 12.12 C ATOM 73 CG1 VAL A 34 -32.255 0.177 -0.134 1.00 12.06 C ATOM 74 CG2 VAL A 34 -33.018 2.358 0.820 1.00 12.37 C ATOM 0 H VAL A 34 -30.189 3.345 1.358 1.00 12.51 H new ATOM 0 HA VAL A 34 -31.352 0.850 2.382 1.00 11.75 H new ATOM 0 HB VAL A 34 -31.299 2.060 -0.407 1.00 12.12 H new ATOM 0 HG11 VAL A 34 -32.948 0.319 -0.964 1.00 12.06 H new ATOM 0 HG12 VAL A 34 -31.384 -0.380 -0.479 1.00 12.06 H new ATOM 0 HG13 VAL A 34 -32.750 -0.381 0.661 1.00 12.06 H new ATOM 0 HG21 VAL A 34 -33.701 2.466 -0.023 1.00 12.37 H new ATOM 0 HG22 VAL A 34 -33.531 1.858 1.641 1.00 12.37 H new ATOM 0 HG23 VAL A 34 -32.686 3.344 1.146 1.00 12.37 H new ATOM 84 N PRO A 35 -29.535 -0.711 1.615 1.00 10.03 N ATOM 85 CA PRO A 35 -28.432 -1.610 1.275 1.00 8.95 C ATOM 86 C PRO A 35 -28.340 -1.897 -0.216 1.00 8.28 C ATOM 87 O PRO A 35 -29.299 -2.354 -0.842 1.00 8.57 O ATOM 88 CB PRO A 35 -28.755 -2.892 2.047 1.00 9.02 C ATOM 89 CG PRO A 35 -29.657 -2.448 3.140 1.00 10.14 C ATOM 90 CD PRO A 35 -30.475 -1.336 2.556 1.00 10.65 C ATOM 0 HA PRO A 35 -27.468 -1.172 1.534 1.00 8.95 H new ATOM 0 HB2 PRO A 35 -29.239 -3.630 1.407 1.00 9.02 H new ATOM 0 HB3 PRO A 35 -27.851 -3.357 2.442 1.00 9.02 H new ATOM 0 HG2 PRO A 35 -30.292 -3.265 3.481 1.00 10.14 H new ATOM 0 HG3 PRO A 35 -29.088 -2.105 4.004 1.00 10.14 H new ATOM 0 HD2 PRO A 35 -31.366 -1.709 2.052 1.00 10.65 H new ATOM 0 HD3 PRO A 35 -30.811 -0.635 3.320 1.00 10.65 H new ATOM 98 N LEU A 36 -27.171 -1.622 -0.763 1.00 7.62 N ATOM 99 CA LEU A 36 -26.897 -1.847 -2.175 1.00 7.19 C ATOM 100 C LEU A 36 -25.409 -2.113 -2.397 1.00 6.10 C ATOM 101 O LEU A 36 -24.928 -2.147 -3.533 1.00 6.10 O ATOM 102 CB LEU A 36 -27.382 -0.654 -3.011 1.00 7.86 C ATOM 103 CG LEU A 36 -27.036 0.738 -2.467 1.00 8.90 C ATOM 104 CD1 LEU A 36 -25.590 1.108 -2.761 1.00 9.33 C ATOM 105 CD2 LEU A 36 -27.982 1.775 -3.046 1.00 9.55 C ATOM 0 H LEU A 36 -26.383 -1.236 -0.243 1.00 7.62 H new ATOM 0 HA LEU A 36 -27.445 -2.731 -2.502 1.00 7.19 H new ATOM 0 HB2 LEU A 36 -26.963 -0.744 -4.013 1.00 7.86 H new ATOM 0 HB3 LEU A 36 -28.465 -0.723 -3.111 1.00 7.86 H new ATOM 0 HG LEU A 36 -27.155 0.716 -1.384 1.00 8.90 H new ATOM 0 HD11 LEU A 36 -25.380 2.100 -2.361 1.00 9.33 H new ATOM 0 HD12 LEU A 36 -24.926 0.381 -2.294 1.00 9.33 H new ATOM 0 HD13 LEU A 36 -25.427 1.109 -3.839 1.00 9.33 H new ATOM 0 HD21 LEU A 36 -27.727 2.759 -2.653 1.00 9.55 H new ATOM 0 HD22 LEU A 36 -27.892 1.783 -4.132 1.00 9.55 H new ATOM 0 HD23 LEU A 36 -29.007 1.528 -2.769 1.00 9.55 H new ATOM 117 N LEU A 37 -24.688 -2.291 -1.296 1.00 5.42 N ATOM 118 CA LEU A 37 -23.262 -2.596 -1.329 1.00 4.46 C ATOM 119 C LEU A 37 -22.896 -3.533 -0.190 1.00 3.64 C ATOM 120 O LEU A 37 -23.605 -3.614 0.814 1.00 3.66 O ATOM 121 CB LEU A 37 -22.423 -1.319 -1.207 1.00 4.57 C ATOM 122 CG LEU A 37 -22.341 -0.451 -2.462 1.00 4.91 C ATOM 123 CD1 LEU A 37 -21.576 0.828 -2.165 1.00 5.34 C ATOM 124 CD2 LEU A 37 -21.676 -1.216 -3.596 1.00 5.26 C ATOM 0 H LEU A 37 -25.076 -2.228 -0.355 1.00 5.42 H new ATOM 0 HA LEU A 37 -23.049 -3.074 -2.285 1.00 4.46 H new ATOM 0 HB2 LEU A 37 -22.832 -0.715 -0.397 1.00 4.57 H new ATOM 0 HB3 LEU A 37 -21.411 -1.599 -0.916 1.00 4.57 H new ATOM 0 HG LEU A 37 -23.353 -0.189 -2.771 1.00 4.91 H new ATOM 0 HD11 LEU A 37 -21.524 1.438 -3.066 1.00 5.34 H new ATOM 0 HD12 LEU A 37 -22.088 1.384 -1.379 1.00 5.34 H new ATOM 0 HD13 LEU A 37 -20.567 0.580 -1.836 1.00 5.34 H new ATOM 0 HD21 LEU A 37 -21.626 -0.583 -4.482 1.00 5.26 H new ATOM 0 HD22 LEU A 37 -20.668 -1.504 -3.298 1.00 5.26 H new ATOM 0 HD23 LEU A 37 -22.257 -2.110 -3.822 1.00 5.26 H new ATOM 136 N THR A 38 -21.797 -4.244 -0.352 1.00 3.22 N ATOM 137 CA THR A 38 -21.262 -5.066 0.713 1.00 2.61 C ATOM 138 C THR A 38 -19.740 -4.993 0.719 1.00 1.98 C ATOM 139 O THR A 38 -19.073 -5.558 -0.153 1.00 2.04 O ATOM 140 CB THR A 38 -21.724 -6.529 0.572 1.00 2.96 C ATOM 141 OG1 THR A 38 -23.156 -6.588 0.635 1.00 3.50 O ATOM 142 CG2 THR A 38 -21.130 -7.408 1.666 1.00 3.43 C ATOM 0 H THR A 38 -21.256 -4.268 -1.216 1.00 3.22 H new ATOM 0 HA THR A 38 -21.641 -4.682 1.660 1.00 2.61 H new ATOM 0 HB THR A 38 -21.376 -6.903 -0.391 1.00 2.96 H new ATOM 0 HG1 THR A 38 -23.449 -7.519 0.544 1.00 3.50 H new ATOM 0 HG21 THR A 38 -21.476 -8.433 1.537 1.00 3.43 H new ATOM 0 HG22 THR A 38 -20.042 -7.382 1.603 1.00 3.43 H new ATOM 0 HG23 THR A 38 -21.446 -7.038 2.641 1.00 3.43 H new ATOM 150 N PRO A 39 -19.176 -4.266 1.693 1.00 1.65 N ATOM 151 CA PRO A 39 -17.734 -4.193 1.875 1.00 1.21 C ATOM 152 C PRO A 39 -17.167 -5.529 2.313 1.00 1.17 C ATOM 153 O PRO A 39 -17.492 -6.023 3.393 1.00 1.62 O ATOM 154 CB PRO A 39 -17.546 -3.149 2.979 1.00 1.47 C ATOM 155 CG PRO A 39 -18.858 -3.055 3.674 1.00 1.97 C ATOM 156 CD PRO A 39 -19.907 -3.445 2.671 1.00 2.07 C ATOM 0 HA PRO A 39 -17.218 -3.932 0.951 1.00 1.21 H new ATOM 0 HB2 PRO A 39 -16.758 -3.448 3.670 1.00 1.47 H new ATOM 0 HB3 PRO A 39 -17.255 -2.185 2.561 1.00 1.47 H new ATOM 0 HG2 PRO A 39 -18.886 -3.717 4.540 1.00 1.97 H new ATOM 0 HG3 PRO A 39 -19.030 -2.043 4.040 1.00 1.97 H new ATOM 0 HD2 PRO A 39 -20.716 -4.006 3.138 1.00 2.07 H new ATOM 0 HD3 PRO A 39 -20.356 -2.570 2.201 1.00 2.07 H new ATOM 164 N SER A 40 -16.350 -6.134 1.470 1.00 0.90 N ATOM 165 CA SER A 40 -15.751 -7.400 1.825 1.00 0.95 C ATOM 166 C SER A 40 -14.258 -7.411 1.503 1.00 0.90 C ATOM 167 O SER A 40 -13.431 -7.547 2.403 1.00 0.97 O ATOM 168 CB SER A 40 -16.481 -8.539 1.104 1.00 1.11 C ATOM 169 OG SER A 40 -16.133 -9.806 1.639 1.00 1.74 O ATOM 0 H SER A 40 -16.091 -5.774 0.551 1.00 0.90 H new ATOM 0 HA SER A 40 -15.852 -7.546 2.900 1.00 0.95 H new ATOM 0 HB2 SER A 40 -17.558 -8.392 1.188 1.00 1.11 H new ATOM 0 HB3 SER A 40 -16.237 -8.513 0.042 1.00 1.11 H new ATOM 0 HG SER A 40 -16.618 -10.509 1.157 1.00 1.74 H new ATOM 175 N SER A 41 -13.901 -7.266 0.230 1.00 0.87 N ATOM 176 CA SER A 41 -12.496 -7.293 -0.145 1.00 0.90 C ATOM 177 C SER A 41 -11.847 -5.902 -0.163 1.00 0.76 C ATOM 178 O SER A 41 -11.021 -5.584 0.692 1.00 0.83 O ATOM 179 CB SER A 41 -12.345 -7.971 -1.508 1.00 1.08 C ATOM 180 OG SER A 41 -13.290 -7.463 -2.438 1.00 1.76 O ATOM 0 H SER A 41 -14.552 -7.131 -0.543 1.00 0.87 H new ATOM 0 HA SER A 41 -11.969 -7.864 0.620 1.00 0.90 H new ATOM 0 HB2 SER A 41 -11.335 -7.812 -1.887 1.00 1.08 H new ATOM 0 HB3 SER A 41 -12.479 -9.047 -1.399 1.00 1.08 H new ATOM 0 HG SER A 41 -13.172 -7.911 -3.302 1.00 1.76 H new ATOM 186 N LYS A 42 -12.242 -5.062 -1.119 1.00 0.66 N ATOM 187 CA LYS A 42 -11.567 -3.782 -1.315 1.00 0.58 C ATOM 188 C LYS A 42 -12.196 -2.652 -0.521 1.00 0.51 C ATOM 189 O LYS A 42 -11.524 -1.679 -0.201 1.00 0.55 O ATOM 190 CB LYS A 42 -11.499 -3.385 -2.790 1.00 0.62 C ATOM 191 CG LYS A 42 -10.490 -2.268 -3.051 1.00 0.61 C ATOM 192 CD LYS A 42 -10.615 -1.705 -4.457 1.00 0.86 C ATOM 193 CE LYS A 42 -9.999 -2.633 -5.492 1.00 1.40 C ATOM 194 NZ LYS A 42 -8.513 -2.661 -5.402 1.00 1.90 N ATOM 0 H LYS A 42 -13.014 -5.241 -1.761 1.00 0.66 H new ATOM 0 HA LYS A 42 -10.555 -3.937 -0.941 1.00 0.58 H new ATOM 0 HB2 LYS A 42 -11.232 -4.258 -3.386 1.00 0.62 H new ATOM 0 HB3 LYS A 42 -12.486 -3.063 -3.122 1.00 0.62 H new ATOM 0 HG2 LYS A 42 -10.639 -1.468 -2.326 1.00 0.61 H new ATOM 0 HG3 LYS A 42 -9.480 -2.650 -2.902 1.00 0.61 H new ATOM 0 HD2 LYS A 42 -11.667 -1.545 -4.692 1.00 0.86 H new ATOM 0 HD3 LYS A 42 -10.126 -0.732 -4.504 1.00 0.86 H new ATOM 0 HE2 LYS A 42 -10.390 -3.641 -5.353 1.00 1.40 H new ATOM 0 HE3 LYS A 42 -10.296 -2.311 -6.490 1.00 1.40 H new ATOM 0 HZ1 LYS A 42 -8.115 -2.947 -6.319 1.00 1.90 H new ATOM 0 HZ2 LYS A 42 -8.162 -1.714 -5.153 1.00 1.90 H new ATOM 0 HZ3 LYS A 42 -8.222 -3.341 -4.671 1.00 1.90 H new ATOM 208 N GLU A 43 -13.477 -2.755 -0.201 1.00 0.48 N ATOM 209 CA GLU A 43 -14.176 -1.625 0.400 1.00 0.47 C ATOM 210 C GLU A 43 -13.549 -1.261 1.743 1.00 0.41 C ATOM 211 O GLU A 43 -13.639 -0.120 2.192 1.00 0.42 O ATOM 212 CB GLU A 43 -15.665 -1.921 0.558 1.00 0.57 C ATOM 213 CG GLU A 43 -16.517 -0.673 0.747 1.00 1.04 C ATOM 214 CD GLU A 43 -16.420 0.274 -0.433 1.00 1.57 C ATOM 215 OE1 GLU A 43 -16.614 -0.171 -1.586 1.00 1.68 O ATOM 216 OE2 GLU A 43 -16.165 1.476 -0.211 1.00 2.23 O ATOM 0 H GLU A 43 -14.046 -3.590 -0.343 1.00 0.48 H new ATOM 0 HA GLU A 43 -14.076 -0.770 -0.269 1.00 0.47 H new ATOM 0 HB2 GLU A 43 -16.015 -2.460 -0.322 1.00 0.57 H new ATOM 0 HB3 GLU A 43 -15.807 -2.581 1.414 1.00 0.57 H new ATOM 0 HG2 GLU A 43 -17.557 -0.964 0.892 1.00 1.04 H new ATOM 0 HG3 GLU A 43 -16.202 -0.155 1.653 1.00 1.04 H new ATOM 223 N MET A 44 -12.894 -2.234 2.365 1.00 0.41 N ATOM 224 CA MET A 44 -12.119 -1.981 3.568 1.00 0.41 C ATOM 225 C MET A 44 -11.009 -0.968 3.292 1.00 0.31 C ATOM 226 O MET A 44 -10.909 0.038 3.980 1.00 0.28 O ATOM 227 CB MET A 44 -11.533 -3.283 4.119 1.00 0.50 C ATOM 228 CG MET A 44 -12.538 -4.123 4.896 1.00 0.82 C ATOM 229 SD MET A 44 -13.963 -4.617 3.906 1.00 1.59 S ATOM 230 CE MET A 44 -14.976 -5.411 5.152 1.00 1.62 C ATOM 0 H MET A 44 -12.886 -3.205 2.054 1.00 0.41 H new ATOM 0 HA MET A 44 -12.787 -1.561 4.320 1.00 0.41 H new ATOM 0 HB2 MET A 44 -11.141 -3.874 3.291 1.00 0.50 H new ATOM 0 HB3 MET A 44 -10.691 -3.046 4.769 1.00 0.50 H new ATOM 0 HG2 MET A 44 -12.040 -5.015 5.276 1.00 0.82 H new ATOM 0 HG3 MET A 44 -12.883 -3.558 5.762 1.00 0.82 H new ATOM 0 HE1 MET A 44 -15.221 -6.423 4.831 1.00 1.62 H new ATOM 0 HE2 MET A 44 -14.429 -5.451 6.094 1.00 1.62 H new ATOM 0 HE3 MET A 44 -15.895 -4.842 5.290 1.00 1.62 H new ATOM 240 N MET A 45 -10.182 -1.223 2.276 1.00 0.28 N ATOM 241 CA MET A 45 -9.132 -0.270 1.904 1.00 0.22 C ATOM 242 C MET A 45 -9.746 1.025 1.399 1.00 0.20 C ATOM 243 O MET A 45 -9.199 2.104 1.603 1.00 0.20 O ATOM 244 CB MET A 45 -8.202 -0.817 0.819 1.00 0.24 C ATOM 245 CG MET A 45 -8.808 -0.776 -0.572 1.00 0.32 C ATOM 246 SD MET A 45 -7.649 -0.259 -1.842 1.00 0.98 S ATOM 247 CE MET A 45 -6.332 -1.437 -1.605 1.00 0.22 C ATOM 0 H MET A 45 -10.216 -2.067 1.704 1.00 0.28 H new ATOM 0 HA MET A 45 -8.545 -0.092 2.805 1.00 0.22 H new ATOM 0 HB2 MET A 45 -7.276 -0.242 0.821 1.00 0.24 H new ATOM 0 HB3 MET A 45 -7.938 -1.846 1.062 1.00 0.24 H new ATOM 0 HG2 MET A 45 -9.192 -1.765 -0.822 1.00 0.32 H new ATOM 0 HG3 MET A 45 -9.659 -0.095 -0.569 1.00 0.32 H new ATOM 0 HE1 MET A 45 -6.105 -1.925 -2.553 1.00 0.22 H new ATOM 0 HE2 MET A 45 -5.444 -0.921 -1.240 1.00 0.22 H new ATOM 0 HE3 MET A 45 -6.641 -2.187 -0.876 1.00 0.22 H new ATOM 257 N SER A 46 -10.870 0.897 0.711 1.00 0.24 N ATOM 258 CA SER A 46 -11.586 2.037 0.178 1.00 0.30 C ATOM 259 C SER A 46 -11.804 3.072 1.272 1.00 0.27 C ATOM 260 O SER A 46 -11.444 4.239 1.117 1.00 0.30 O ATOM 261 CB SER A 46 -12.913 1.551 -0.407 1.00 0.39 C ATOM 262 OG SER A 46 -13.705 2.613 -0.915 1.00 0.53 O ATOM 0 H SER A 46 -11.308 -0.001 0.508 1.00 0.24 H new ATOM 0 HA SER A 46 -11.007 2.514 -0.613 1.00 0.30 H new ATOM 0 HB2 SER A 46 -12.714 0.836 -1.206 1.00 0.39 H new ATOM 0 HB3 SER A 46 -13.473 1.021 0.363 1.00 0.39 H new ATOM 0 HG SER A 46 -14.654 2.406 -0.782 1.00 0.53 H new ATOM 268 N GLN A 47 -12.390 2.638 2.376 1.00 0.25 N ATOM 269 CA GLN A 47 -12.569 3.511 3.521 1.00 0.27 C ATOM 270 C GLN A 47 -11.271 3.697 4.322 1.00 0.24 C ATOM 271 O GLN A 47 -10.877 4.826 4.610 1.00 0.29 O ATOM 272 CB GLN A 47 -13.707 3.007 4.422 1.00 0.30 C ATOM 273 CG GLN A 47 -13.547 1.567 4.886 1.00 0.33 C ATOM 274 CD GLN A 47 -14.745 1.060 5.663 1.00 0.43 C ATOM 275 OE1 GLN A 47 -15.878 1.493 5.442 1.00 1.10 O ATOM 276 NE2 GLN A 47 -14.505 0.134 6.574 1.00 1.11 N ATOM 0 H GLN A 47 -12.748 1.691 2.502 1.00 0.25 H new ATOM 0 HA GLN A 47 -12.845 4.492 3.135 1.00 0.27 H new ATOM 0 HB2 GLN A 47 -13.775 3.653 5.297 1.00 0.30 H new ATOM 0 HB3 GLN A 47 -14.650 3.100 3.883 1.00 0.30 H new ATOM 0 HG2 GLN A 47 -13.386 0.927 4.018 1.00 0.33 H new ATOM 0 HG3 GLN A 47 -12.656 1.489 5.510 1.00 0.33 H new ATOM 0 HE21 GLN A 47 -13.552 -0.197 6.726 1.00 1.11 H new ATOM 0 HE22 GLN A 47 -15.272 -0.250 7.126 1.00 1.11 H new ATOM 285 N ALA A 48 -10.615 2.594 4.689 1.00 0.21 N ATOM 286 CA ALA A 48 -9.468 2.653 5.593 1.00 0.22 C ATOM 287 C ALA A 48 -8.217 3.211 4.929 1.00 0.20 C ATOM 288 O ALA A 48 -7.659 4.189 5.409 1.00 0.22 O ATOM 289 CB ALA A 48 -9.162 1.280 6.174 1.00 0.24 C ATOM 0 H ALA A 48 -10.858 1.654 4.375 1.00 0.21 H new ATOM 0 HA ALA A 48 -9.751 3.337 6.393 1.00 0.22 H new ATOM 0 HB1 ALA A 48 -8.305 1.351 6.843 1.00 0.24 H new ATOM 0 HB2 ALA A 48 -10.027 0.919 6.730 1.00 0.24 H new ATOM 0 HB3 ALA A 48 -8.935 0.585 5.365 1.00 0.24 H new ATOM 295 N LEU A 49 -7.795 2.629 3.811 1.00 0.18 N ATOM 296 CA LEU A 49 -6.507 2.966 3.214 1.00 0.18 C ATOM 297 C LEU A 49 -6.494 4.380 2.692 1.00 0.19 C ATOM 298 O LEU A 49 -5.635 5.183 3.048 1.00 0.21 O ATOM 299 CB LEU A 49 -6.188 2.041 2.040 1.00 0.23 C ATOM 300 CG LEU A 49 -5.066 1.043 2.273 1.00 0.19 C ATOM 301 CD1 LEU A 49 -4.717 0.375 0.963 1.00 0.47 C ATOM 302 CD2 LEU A 49 -3.838 1.711 2.882 1.00 0.58 C ATOM 0 H LEU A 49 -8.325 1.923 3.301 1.00 0.18 H new ATOM 0 HA LEU A 49 -5.763 2.852 4.003 1.00 0.18 H new ATOM 0 HB2 LEU A 49 -7.092 1.490 1.780 1.00 0.23 H new ATOM 0 HB3 LEU A 49 -5.930 2.655 1.177 1.00 0.23 H new ATOM 0 HG LEU A 49 -5.408 0.293 2.986 1.00 0.19 H new ATOM 0 HD11 LEU A 49 -3.912 -0.342 1.123 1.00 0.47 H new ATOM 0 HD12 LEU A 49 -5.593 -0.144 0.574 1.00 0.47 H new ATOM 0 HD13 LEU A 49 -4.393 1.129 0.245 1.00 0.47 H new ATOM 0 HD21 LEU A 49 -3.057 0.966 3.034 1.00 0.58 H new ATOM 0 HD22 LEU A 49 -3.474 2.486 2.208 1.00 0.58 H new ATOM 0 HD23 LEU A 49 -4.104 2.158 3.840 1.00 0.58 H new ATOM 314 N LYS A 50 -7.442 4.665 1.827 1.00 0.19 N ATOM 315 CA LYS A 50 -7.466 5.921 1.113 1.00 0.21 C ATOM 316 C LYS A 50 -7.558 7.100 2.088 1.00 0.23 C ATOM 317 O LYS A 50 -7.029 8.181 1.830 1.00 0.27 O ATOM 318 CB LYS A 50 -8.614 5.907 0.106 1.00 0.22 C ATOM 319 CG LYS A 50 -8.663 4.613 -0.702 1.00 0.20 C ATOM 320 CD LYS A 50 -7.339 4.342 -1.423 1.00 0.21 C ATOM 321 CE LYS A 50 -7.083 5.348 -2.531 1.00 0.24 C ATOM 322 NZ LYS A 50 -7.853 5.022 -3.757 1.00 0.55 N ATOM 0 H LYS A 50 -8.213 4.037 1.600 1.00 0.19 H new ATOM 0 HA LYS A 50 -6.535 6.049 0.561 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -9.558 6.039 0.634 1.00 0.22 H new ATOM 0 HB3 LYS A 50 -8.508 6.753 -0.573 1.00 0.22 H new ATOM 0 HG2 LYS A 50 -8.893 3.779 -0.039 1.00 0.20 H new ATOM 0 HG3 LYS A 50 -9.470 4.671 -1.433 1.00 0.20 H new ATOM 0 HD2 LYS A 50 -6.520 4.377 -0.704 1.00 0.21 H new ATOM 0 HD3 LYS A 50 -7.353 3.336 -1.842 1.00 0.21 H new ATOM 0 HE2 LYS A 50 -7.353 6.346 -2.186 1.00 0.24 H new ATOM 0 HE3 LYS A 50 -6.019 5.369 -2.765 1.00 0.24 H new ATOM 0 HZ1 LYS A 50 -7.902 5.861 -4.369 1.00 0.55 H new ATOM 0 HZ2 LYS A 50 -7.382 4.248 -4.267 1.00 0.55 H new ATOM 0 HZ3 LYS A 50 -8.816 4.728 -3.495 1.00 0.55 H new ATOM 336 N ALA A 51 -8.217 6.868 3.216 1.00 0.22 N ATOM 337 CA ALA A 51 -8.274 7.848 4.292 1.00 0.23 C ATOM 338 C ALA A 51 -6.984 7.858 5.117 1.00 0.23 C ATOM 339 O ALA A 51 -6.468 8.921 5.467 1.00 0.26 O ATOM 340 CB ALA A 51 -9.470 7.579 5.188 1.00 0.25 C ATOM 0 H ALA A 51 -8.723 6.004 3.410 1.00 0.22 H new ATOM 0 HA ALA A 51 -8.384 8.832 3.837 1.00 0.23 H new ATOM 0 HB1 ALA A 51 -9.499 8.319 5.988 1.00 0.25 H new ATOM 0 HB2 ALA A 51 -10.386 7.642 4.601 1.00 0.25 H new ATOM 0 HB3 ALA A 51 -9.384 6.582 5.620 1.00 0.25 H new ATOM 346 N THR A 52 -6.460 6.669 5.412 1.00 0.21 N ATOM 347 CA THR A 52 -5.366 6.515 6.371 1.00 0.22 C ATOM 348 C THR A 52 -4.032 7.030 5.839 1.00 0.21 C ATOM 349 O THR A 52 -3.073 7.152 6.599 1.00 0.23 O ATOM 350 CB THR A 52 -5.195 5.035 6.798 1.00 0.22 C ATOM 351 OG1 THR A 52 -4.389 4.948 7.979 1.00 0.27 O ATOM 352 CG2 THR A 52 -4.547 4.209 5.689 1.00 0.18 C ATOM 0 H THR A 52 -6.778 5.793 4.998 1.00 0.21 H new ATOM 0 HA THR A 52 -5.646 7.121 7.233 1.00 0.22 H new ATOM 0 HB THR A 52 -6.189 4.635 6.999 1.00 0.22 H new ATOM 0 HG1 THR A 52 -3.664 5.606 7.930 1.00 0.27 H new ATOM 0 HG21 THR A 52 -4.441 3.176 6.020 1.00 0.18 H new ATOM 0 HG22 THR A 52 -5.173 4.242 4.797 1.00 0.18 H new ATOM 0 HG23 THR A 52 -3.564 4.619 5.457 1.00 0.18 H new ATOM 360 N PHE A 53 -3.974 7.359 4.553 1.00 0.23 N ATOM 361 CA PHE A 53 -2.706 7.699 3.912 1.00 0.27 C ATOM 362 C PHE A 53 -1.980 8.838 4.612 1.00 0.32 C ATOM 363 O PHE A 53 -0.763 8.972 4.474 1.00 0.34 O ATOM 364 CB PHE A 53 -2.907 8.053 2.443 1.00 0.31 C ATOM 365 CG PHE A 53 -3.305 6.887 1.599 1.00 0.32 C ATOM 366 CD1 PHE A 53 -2.716 5.650 1.784 1.00 0.30 C ATOM 367 CD2 PHE A 53 -4.273 7.024 0.626 1.00 0.36 C ATOM 368 CE1 PHE A 53 -3.083 4.571 1.009 1.00 0.34 C ATOM 369 CE2 PHE A 53 -4.644 5.948 -0.149 1.00 0.39 C ATOM 370 CZ PHE A 53 -4.048 4.720 0.040 1.00 0.38 C ATOM 0 H PHE A 53 -4.785 7.398 3.935 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.083 6.808 3.989 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -3.672 8.826 2.365 1.00 0.31 H new ATOM 0 HB3 PHE A 53 -1.983 8.478 2.050 1.00 0.31 H new ATOM 0 HD1 PHE A 53 -1.959 5.528 2.545 1.00 0.30 H new ATOM 0 HD2 PHE A 53 -4.744 7.983 0.471 1.00 0.36 H new ATOM 0 HE1 PHE A 53 -2.614 3.610 1.162 1.00 0.34 H new ATOM 0 HE2 PHE A 53 -5.404 6.067 -0.907 1.00 0.39 H new ATOM 0 HZ PHE A 53 -4.338 3.877 -0.571 1.00 0.38 H new ATOM 380 N SER A 54 -2.721 9.641 5.359 1.00 0.36 N ATOM 381 CA SER A 54 -2.145 10.740 6.115 1.00 0.44 C ATOM 382 C SER A 54 -1.106 10.233 7.119 1.00 0.39 C ATOM 383 O SER A 54 -0.209 10.967 7.507 1.00 0.46 O ATOM 384 CB SER A 54 -3.259 11.493 6.839 1.00 0.55 C ATOM 385 OG SER A 54 -4.290 11.860 5.938 1.00 1.37 O ATOM 0 H SER A 54 -3.732 9.550 5.458 1.00 0.36 H new ATOM 0 HA SER A 54 -1.638 11.414 5.424 1.00 0.44 H new ATOM 0 HB2 SER A 54 -3.669 10.869 7.633 1.00 0.55 H new ATOM 0 HB3 SER A 54 -2.851 12.385 7.314 1.00 0.55 H new ATOM 0 HG SER A 54 -4.993 12.339 6.424 1.00 1.37 H new ATOM 391 N GLY A 55 -1.238 8.977 7.537 1.00 0.31 N ATOM 392 CA GLY A 55 -0.305 8.400 8.489 1.00 0.28 C ATOM 393 C GLY A 55 1.135 8.338 7.998 1.00 0.22 C ATOM 394 O GLY A 55 2.000 9.045 8.516 1.00 0.25 O ATOM 0 H GLY A 55 -1.979 8.346 7.231 1.00 0.31 H new ATOM 0 HA2 GLY A 55 -0.338 8.982 9.410 1.00 0.28 H new ATOM 0 HA3 GLY A 55 -0.635 7.391 8.738 1.00 0.28 H new ATOM 398 N PHE A 56 1.402 7.517 6.984 1.00 0.15 N ATOM 399 CA PHE A 56 2.778 7.292 6.551 1.00 0.12 C ATOM 400 C PHE A 56 3.273 8.431 5.698 1.00 0.13 C ATOM 401 O PHE A 56 4.352 8.936 5.917 1.00 0.17 O ATOM 402 CB PHE A 56 2.931 5.993 5.761 1.00 0.13 C ATOM 403 CG PHE A 56 4.349 5.734 5.334 1.00 0.16 C ATOM 404 CD1 PHE A 56 5.250 5.125 6.196 1.00 0.23 C ATOM 405 CD2 PHE A 56 4.774 6.071 4.060 1.00 0.20 C ATOM 406 CE1 PHE A 56 6.543 4.861 5.796 1.00 0.28 C ATOM 407 CE2 PHE A 56 6.069 5.812 3.655 1.00 0.26 C ATOM 408 CZ PHE A 56 6.986 5.304 4.565 1.00 0.28 C ATOM 0 H PHE A 56 0.696 7.005 6.455 1.00 0.15 H new ATOM 0 HA PHE A 56 3.373 7.223 7.462 1.00 0.12 H new ATOM 0 HB2 PHE A 56 2.582 5.159 6.370 1.00 0.13 H new ATOM 0 HB3 PHE A 56 2.292 6.032 4.879 1.00 0.13 H new ATOM 0 HD1 PHE A 56 4.935 4.854 7.193 1.00 0.23 H new ATOM 0 HD2 PHE A 56 4.085 6.542 3.375 1.00 0.20 H new ATOM 0 HE1 PHE A 56 7.208 4.309 6.444 1.00 0.28 H new ATOM 0 HE2 PHE A 56 6.367 6.004 2.635 1.00 0.26 H new ATOM 0 HZ PHE A 56 8.035 5.256 4.313 1.00 0.28 H new ATOM 418 N THR A 57 2.465 8.833 4.736 1.00 0.16 N ATOM 419 CA THR A 57 2.861 9.848 3.762 1.00 0.24 C ATOM 420 C THR A 57 3.302 11.143 4.459 1.00 0.26 C ATOM 421 O THR A 57 4.131 11.895 3.945 1.00 0.35 O ATOM 422 CB THR A 57 1.695 10.158 2.815 1.00 0.32 C ATOM 423 OG1 THR A 57 0.992 8.944 2.498 1.00 0.39 O ATOM 424 CG2 THR A 57 2.186 10.811 1.532 1.00 0.46 C ATOM 0 H THR A 57 1.520 8.472 4.603 1.00 0.16 H new ATOM 0 HA THR A 57 3.702 9.451 3.193 1.00 0.24 H new ATOM 0 HB THR A 57 1.024 10.854 3.319 1.00 0.32 H new ATOM 0 HG1 THR A 57 0.126 8.938 2.958 1.00 0.39 H new ATOM 0 HG21 THR A 57 1.337 11.019 0.881 1.00 0.46 H new ATOM 0 HG22 THR A 57 2.697 11.744 1.771 1.00 0.46 H new ATOM 0 HG23 THR A 57 2.877 10.139 1.023 1.00 0.46 H new ATOM 432 N LYS A 58 2.759 11.368 5.650 1.00 0.24 N ATOM 433 CA LYS A 58 3.075 12.556 6.431 1.00 0.31 C ATOM 434 C LYS A 58 4.406 12.381 7.161 1.00 0.29 C ATOM 435 O LYS A 58 5.254 13.274 7.156 1.00 0.31 O ATOM 436 CB LYS A 58 1.955 12.845 7.427 1.00 0.39 C ATOM 437 CG LYS A 58 2.246 13.990 8.375 1.00 0.50 C ATOM 438 CD LYS A 58 1.057 14.268 9.275 1.00 1.34 C ATOM 439 CE LYS A 58 1.387 15.309 10.328 1.00 1.93 C ATOM 440 NZ LYS A 58 1.902 16.567 9.725 1.00 2.52 N ATOM 0 H LYS A 58 2.093 10.738 6.097 1.00 0.24 H new ATOM 0 HA LYS A 58 3.166 13.403 5.752 1.00 0.31 H new ATOM 0 HB2 LYS A 58 1.042 13.068 6.875 1.00 0.39 H new ATOM 0 HB3 LYS A 58 1.762 11.945 8.011 1.00 0.39 H new ATOM 0 HG2 LYS A 58 3.118 13.750 8.983 1.00 0.50 H new ATOM 0 HG3 LYS A 58 2.492 14.886 7.804 1.00 0.50 H new ATOM 0 HD2 LYS A 58 0.216 14.612 8.673 1.00 1.34 H new ATOM 0 HD3 LYS A 58 0.744 13.344 9.761 1.00 1.34 H new ATOM 0 HE2 LYS A 58 0.495 15.527 10.915 1.00 1.93 H new ATOM 0 HE3 LYS A 58 2.130 14.906 11.016 1.00 1.93 H new ATOM 0 HZ1 LYS A 58 1.939 17.310 10.451 1.00 2.52 H new ATOM 0 HZ2 LYS A 58 2.857 16.405 9.347 1.00 2.52 H new ATOM 0 HZ3 LYS A 58 1.271 16.867 8.955 1.00 2.52 H new ATOM 454 N GLU A 59 4.595 11.212 7.767 1.00 0.26 N ATOM 455 CA GLU A 59 5.804 10.948 8.534 1.00 0.25 C ATOM 456 C GLU A 59 6.926 10.507 7.600 1.00 0.21 C ATOM 457 O GLU A 59 8.101 10.570 7.943 1.00 0.24 O ATOM 458 CB GLU A 59 5.539 9.917 9.642 1.00 0.31 C ATOM 459 CG GLU A 59 6.475 8.728 9.637 1.00 0.43 C ATOM 460 CD GLU A 59 6.502 8.026 10.975 1.00 0.76 C ATOM 461 OE1 GLU A 59 7.136 8.556 11.913 1.00 0.98 O ATOM 462 OE2 GLU A 59 5.879 6.953 11.104 1.00 0.97 O ATOM 0 H GLU A 59 3.930 10.439 7.741 1.00 0.26 H new ATOM 0 HA GLU A 59 6.119 11.867 9.028 1.00 0.25 H new ATOM 0 HB2 GLU A 59 5.612 10.416 10.608 1.00 0.31 H new ATOM 0 HB3 GLU A 59 4.515 9.556 9.546 1.00 0.31 H new ATOM 0 HG2 GLU A 59 6.164 8.025 8.864 1.00 0.43 H new ATOM 0 HG3 GLU A 59 7.481 9.059 9.381 1.00 0.43 H new ATOM 469 N GLN A 60 6.541 10.069 6.417 1.00 0.19 N ATOM 470 CA GLN A 60 7.468 9.777 5.338 1.00 0.19 C ATOM 471 C GLN A 60 8.344 10.990 5.095 1.00 0.22 C ATOM 472 O GLN A 60 9.564 10.894 5.023 1.00 0.23 O ATOM 473 CB GLN A 60 6.671 9.446 4.078 1.00 0.21 C ATOM 474 CG GLN A 60 7.498 9.051 2.879 1.00 0.28 C ATOM 475 CD GLN A 60 6.626 8.835 1.666 1.00 0.40 C ATOM 476 OE1 GLN A 60 5.574 9.458 1.525 1.00 0.90 O ATOM 477 NE2 GLN A 60 7.051 7.961 0.783 1.00 0.26 N ATOM 0 H GLN A 60 5.564 9.904 6.174 1.00 0.19 H new ATOM 0 HA GLN A 60 8.099 8.927 5.600 1.00 0.19 H new ATOM 0 HB2 GLN A 60 5.981 8.634 4.307 1.00 0.21 H new ATOM 0 HB3 GLN A 60 6.066 10.313 3.812 1.00 0.21 H new ATOM 0 HG2 GLN A 60 8.233 9.827 2.669 1.00 0.28 H new ATOM 0 HG3 GLN A 60 8.052 8.139 3.100 1.00 0.28 H new ATOM 0 HE21 GLN A 60 7.929 7.466 0.938 1.00 0.26 H new ATOM 0 HE22 GLN A 60 6.503 7.778 -0.058 1.00 0.26 H new ATOM 486 N GLN A 61 7.688 12.138 5.016 1.00 0.28 N ATOM 487 CA GLN A 61 8.369 13.418 4.869 1.00 0.34 C ATOM 488 C GLN A 61 9.303 13.660 6.059 1.00 0.34 C ATOM 489 O GLN A 61 10.411 14.175 5.911 1.00 0.37 O ATOM 490 CB GLN A 61 7.339 14.542 4.798 1.00 0.45 C ATOM 491 CG GLN A 61 6.298 14.353 3.703 1.00 0.58 C ATOM 492 CD GLN A 61 6.913 14.245 2.321 1.00 0.77 C ATOM 493 OE1 GLN A 61 7.112 15.249 1.640 1.00 1.23 O ATOM 494 NE2 GLN A 61 7.210 13.028 1.894 1.00 1.12 N ATOM 0 H GLN A 61 6.671 12.210 5.052 1.00 0.28 H new ATOM 0 HA GLN A 61 8.957 13.400 3.951 1.00 0.34 H new ATOM 0 HB2 GLN A 61 6.832 14.618 5.760 1.00 0.45 H new ATOM 0 HB3 GLN A 61 7.857 15.487 4.635 1.00 0.45 H new ATOM 0 HG2 GLN A 61 5.719 13.453 3.910 1.00 0.58 H new ATOM 0 HG3 GLN A 61 5.601 15.191 3.721 1.00 0.58 H new ATOM 0 HE21 GLN A 61 7.029 12.220 2.490 1.00 1.12 H new ATOM 0 HE22 GLN A 61 7.620 12.898 0.969 1.00 1.12 H new ATOM 503 N ARG A 62 8.829 13.262 7.238 1.00 0.34 N ATOM 504 CA ARG A 62 9.559 13.424 8.499 1.00 0.39 C ATOM 505 C ARG A 62 10.806 12.547 8.514 1.00 0.36 C ATOM 506 O ARG A 62 11.896 12.996 8.863 1.00 0.41 O ATOM 507 CB ARG A 62 8.617 13.050 9.662 1.00 0.44 C ATOM 508 CG ARG A 62 9.221 13.116 11.066 1.00 0.58 C ATOM 509 CD ARG A 62 10.097 11.906 11.374 1.00 1.13 C ATOM 510 NE ARG A 62 10.682 11.959 12.712 1.00 1.93 N ATOM 511 CZ ARG A 62 11.961 11.684 12.976 1.00 2.74 C ATOM 512 NH1 ARG A 62 12.806 11.414 11.989 1.00 2.99 N ATOM 513 NH2 ARG A 62 12.399 11.684 14.227 1.00 3.73 N ATOM 0 H ARG A 62 7.919 12.814 7.349 1.00 0.34 H new ATOM 0 HA ARG A 62 9.883 14.459 8.607 1.00 0.39 H new ATOM 0 HB2 ARG A 62 7.752 13.712 9.629 1.00 0.44 H new ATOM 0 HB3 ARG A 62 8.250 12.038 9.494 1.00 0.44 H new ATOM 0 HG2 ARG A 62 9.814 14.026 11.162 1.00 0.58 H new ATOM 0 HG3 ARG A 62 8.419 13.179 11.802 1.00 0.58 H new ATOM 0 HD2 ARG A 62 9.502 10.998 11.278 1.00 1.13 H new ATOM 0 HD3 ARG A 62 10.896 11.843 10.635 1.00 1.13 H new ATOM 0 HE ARG A 62 10.077 12.222 13.490 1.00 1.93 H new ATOM 0 HH11 ARG A 62 12.479 11.416 11.023 1.00 2.99 H new ATOM 0 HH12 ARG A 62 13.782 11.205 12.197 1.00 2.99 H new ATOM 0 HH21 ARG A 62 11.758 11.895 14.992 1.00 3.73 H new ATOM 0 HH22 ARG A 62 13.377 11.473 14.425 1.00 3.73 H new ATOM 527 N LEU A 63 10.620 11.289 8.140 1.00 0.30 N ATOM 528 CA LEU A 63 11.689 10.295 8.145 1.00 0.32 C ATOM 529 C LEU A 63 12.680 10.533 7.025 1.00 0.31 C ATOM 530 O LEU A 63 13.567 9.713 6.781 1.00 0.37 O ATOM 531 CB LEU A 63 11.085 8.896 8.038 1.00 0.33 C ATOM 532 CG LEU A 63 10.131 8.520 9.172 1.00 0.40 C ATOM 533 CD1 LEU A 63 9.353 7.265 8.818 1.00 1.01 C ATOM 534 CD2 LEU A 63 10.894 8.321 10.471 1.00 0.65 C ATOM 0 H LEU A 63 9.721 10.926 7.823 1.00 0.30 H new ATOM 0 HA LEU A 63 12.235 10.385 9.084 1.00 0.32 H new ATOM 0 HB2 LEU A 63 10.550 8.818 7.091 1.00 0.33 H new ATOM 0 HB3 LEU A 63 11.895 8.167 8.007 1.00 0.33 H new ATOM 0 HG LEU A 63 9.425 9.339 9.310 1.00 0.40 H new ATOM 0 HD11 LEU A 63 8.679 7.012 9.636 1.00 1.01 H new ATOM 0 HD12 LEU A 63 8.774 7.440 7.911 1.00 1.01 H new ATOM 0 HD13 LEU A 63 10.047 6.441 8.652 1.00 1.01 H new ATOM 0 HD21 LEU A 63 10.197 8.054 11.265 1.00 0.65 H new ATOM 0 HD22 LEU A 63 11.624 7.522 10.345 1.00 0.65 H new ATOM 0 HD23 LEU A 63 11.409 9.244 10.736 1.00 0.65 H new ATOM 546 N GLY A 64 12.529 11.662 6.353 1.00 0.28 N ATOM 547 CA GLY A 64 13.384 11.979 5.237 1.00 0.30 C ATOM 548 C GLY A 64 13.199 10.979 4.130 1.00 0.27 C ATOM 549 O GLY A 64 14.070 10.814 3.274 1.00 0.33 O ATOM 0 H GLY A 64 11.823 12.368 6.565 1.00 0.28 H new ATOM 0 HA2 GLY A 64 13.158 12.981 4.871 1.00 0.30 H new ATOM 0 HA3 GLY A 64 14.425 11.985 5.559 1.00 0.30 H new ATOM 553 N ILE A 65 12.063 10.294 4.163 1.00 0.22 N ATOM 554 CA ILE A 65 11.763 9.305 3.167 1.00 0.20 C ATOM 555 C ILE A 65 11.137 9.992 1.967 1.00 0.21 C ATOM 556 O ILE A 65 10.152 10.720 2.105 1.00 0.23 O ATOM 557 CB ILE A 65 10.804 8.195 3.665 1.00 0.18 C ATOM 558 CG1 ILE A 65 11.394 7.471 4.874 1.00 0.20 C ATOM 559 CG2 ILE A 65 10.522 7.193 2.544 1.00 0.19 C ATOM 560 CD1 ILE A 65 10.554 6.301 5.346 1.00 0.20 C ATOM 0 H ILE A 65 11.342 10.414 4.874 1.00 0.22 H new ATOM 0 HA ILE A 65 12.704 8.819 2.910 1.00 0.20 H new ATOM 0 HB ILE A 65 9.868 8.665 3.965 1.00 0.18 H new ATOM 0 HG12 ILE A 65 12.392 7.113 4.622 1.00 0.20 H new ATOM 0 HG13 ILE A 65 11.507 8.181 5.693 1.00 0.20 H new ATOM 0 HG21 ILE A 65 9.847 6.419 2.909 1.00 0.19 H new ATOM 0 HG22 ILE A 65 10.061 7.709 1.702 1.00 0.19 H new ATOM 0 HG23 ILE A 65 11.457 6.736 2.221 1.00 0.19 H new ATOM 0 HD11 ILE A 65 11.032 5.834 6.207 1.00 0.20 H new ATOM 0 HD12 ILE A 65 9.563 6.655 5.629 1.00 0.20 H new ATOM 0 HD13 ILE A 65 10.462 5.571 4.542 1.00 0.20 H new ATOM 572 N PRO A 66 11.726 9.808 0.791 1.00 0.24 N ATOM 573 CA PRO A 66 11.165 10.332 -0.447 1.00 0.27 C ATOM 574 C PRO A 66 9.741 9.823 -0.651 1.00 0.22 C ATOM 575 O PRO A 66 9.460 8.661 -0.371 1.00 0.23 O ATOM 576 CB PRO A 66 12.079 9.783 -1.536 1.00 0.35 C ATOM 577 CG PRO A 66 13.291 9.227 -0.856 1.00 0.26 C ATOM 578 CD PRO A 66 12.980 9.075 0.597 1.00 0.31 C ATOM 0 HA PRO A 66 11.112 11.421 -0.449 1.00 0.27 H new ATOM 0 HB2 PRO A 66 11.571 9.009 -2.111 1.00 0.35 H new ATOM 0 HB3 PRO A 66 12.358 10.569 -2.237 1.00 0.35 H new ATOM 0 HG2 PRO A 66 13.563 8.265 -1.290 1.00 0.26 H new ATOM 0 HG3 PRO A 66 14.144 9.891 -0.995 1.00 0.26 H new ATOM 0 HD2 PRO A 66 12.871 8.025 0.870 1.00 0.31 H new ATOM 0 HD3 PRO A 66 13.777 9.485 1.217 1.00 0.31 H new ATOM 586 N LYS A 67 8.849 10.685 -1.130 1.00 0.25 N ATOM 587 CA LYS A 67 7.429 10.337 -1.234 1.00 0.27 C ATOM 588 C LYS A 67 7.133 9.432 -2.436 1.00 0.25 C ATOM 589 O LYS A 67 5.996 9.012 -2.639 1.00 0.36 O ATOM 590 CB LYS A 67 6.571 11.602 -1.297 1.00 0.43 C ATOM 591 CG LYS A 67 6.887 12.506 -2.475 1.00 1.04 C ATOM 592 CD LYS A 67 5.961 13.713 -2.519 1.00 1.15 C ATOM 593 CE LYS A 67 5.927 14.356 -3.898 1.00 1.67 C ATOM 594 NZ LYS A 67 7.285 14.680 -4.413 1.00 2.42 N ATOM 0 H LYS A 67 9.079 11.625 -1.452 1.00 0.25 H new ATOM 0 HA LYS A 67 7.173 9.773 -0.337 1.00 0.27 H new ATOM 0 HB2 LYS A 67 5.521 11.314 -1.345 1.00 0.43 H new ATOM 0 HB3 LYS A 67 6.705 12.166 -0.374 1.00 0.43 H new ATOM 0 HG2 LYS A 67 7.922 12.843 -2.409 1.00 1.04 H new ATOM 0 HG3 LYS A 67 6.794 11.941 -3.403 1.00 1.04 H new ATOM 0 HD2 LYS A 67 4.954 13.407 -2.237 1.00 1.15 H new ATOM 0 HD3 LYS A 67 6.289 14.448 -1.784 1.00 1.15 H new ATOM 0 HE2 LYS A 67 5.429 13.683 -4.596 1.00 1.67 H new ATOM 0 HE3 LYS A 67 5.332 15.268 -3.855 1.00 1.67 H new ATOM 0 HZ1 LYS A 67 7.216 14.988 -5.404 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 7.700 15.443 -3.841 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 7.889 13.835 -4.355 1.00 2.42 H new ATOM 608 N ASP A 68 8.156 9.133 -3.221 1.00 0.28 N ATOM 609 CA ASP A 68 8.023 8.241 -4.368 1.00 0.28 C ATOM 610 C ASP A 68 8.479 6.855 -3.940 1.00 0.21 C ATOM 611 O ASP A 68 9.182 6.739 -2.947 1.00 0.23 O ATOM 612 CB ASP A 68 8.899 8.796 -5.505 1.00 0.39 C ATOM 613 CG ASP A 68 8.713 8.089 -6.829 1.00 1.12 C ATOM 614 OD1 ASP A 68 9.327 7.026 -7.039 1.00 1.88 O ATOM 615 OD2 ASP A 68 7.938 8.581 -7.665 1.00 1.65 O ATOM 0 H ASP A 68 9.098 9.498 -3.084 1.00 0.28 H new ATOM 0 HA ASP A 68 6.994 8.176 -4.720 1.00 0.28 H new ATOM 0 HB2 ASP A 68 8.677 9.855 -5.636 1.00 0.39 H new ATOM 0 HB3 ASP A 68 9.946 8.724 -5.211 1.00 0.39 H new ATOM 620 N PRO A 69 8.050 5.776 -4.615 1.00 0.19 N ATOM 621 CA PRO A 69 8.554 4.438 -4.329 1.00 0.20 C ATOM 622 C PRO A 69 9.686 3.964 -5.249 1.00 0.26 C ATOM 623 O PRO A 69 10.426 3.084 -4.872 1.00 0.65 O ATOM 624 CB PRO A 69 7.314 3.588 -4.540 1.00 0.40 C ATOM 625 CG PRO A 69 6.530 4.286 -5.607 1.00 0.37 C ATOM 626 CD PRO A 69 6.968 5.735 -5.613 1.00 0.22 C ATOM 0 HA PRO A 69 9.004 4.386 -3.338 1.00 0.20 H new ATOM 0 HB2 PRO A 69 7.579 2.576 -4.846 1.00 0.40 H new ATOM 0 HB3 PRO A 69 6.736 3.502 -3.620 1.00 0.40 H new ATOM 0 HG2 PRO A 69 6.710 3.826 -6.579 1.00 0.37 H new ATOM 0 HG3 PRO A 69 5.461 4.209 -5.411 1.00 0.37 H new ATOM 0 HD2 PRO A 69 7.319 6.043 -6.598 1.00 0.22 H new ATOM 0 HD3 PRO A 69 6.149 6.402 -5.344 1.00 0.22 H new ATOM 634 N ARG A 70 9.852 4.582 -6.416 1.00 0.20 N ATOM 635 CA ARG A 70 10.770 4.080 -7.466 1.00 0.26 C ATOM 636 C ARG A 70 12.248 4.351 -7.164 1.00 0.19 C ATOM 637 O ARG A 70 13.111 4.135 -8.013 1.00 0.27 O ATOM 638 CB ARG A 70 10.425 4.690 -8.831 1.00 0.46 C ATOM 639 CG ARG A 70 9.217 4.063 -9.511 1.00 0.96 C ATOM 640 CD ARG A 70 7.917 4.378 -8.792 1.00 0.87 C ATOM 641 NE ARG A 70 7.588 5.800 -8.870 1.00 1.06 N ATOM 642 CZ ARG A 70 6.671 6.314 -9.686 1.00 1.29 C ATOM 643 NH1 ARG A 70 6.007 5.526 -10.526 1.00 1.89 N ATOM 644 NH2 ARG A 70 6.421 7.616 -9.653 1.00 1.79 N ATOM 0 H ARG A 70 9.363 5.440 -6.671 1.00 0.20 H new ATOM 0 HA ARG A 70 10.628 2.999 -7.485 1.00 0.26 H new ATOM 0 HB2 ARG A 70 10.242 5.757 -8.703 1.00 0.46 H new ATOM 0 HB3 ARG A 70 11.289 4.592 -9.488 1.00 0.46 H new ATOM 0 HG2 ARG A 70 9.156 4.421 -10.539 1.00 0.96 H new ATOM 0 HG3 ARG A 70 9.350 2.982 -9.557 1.00 0.96 H new ATOM 0 HD2 ARG A 70 7.108 3.793 -9.229 1.00 0.87 H new ATOM 0 HD3 ARG A 70 7.998 4.080 -7.747 1.00 0.87 H new ATOM 0 HE ARG A 70 8.095 6.440 -8.259 1.00 1.06 H new ATOM 0 HH11 ARG A 70 6.200 4.525 -10.546 1.00 1.89 H new ATOM 0 HH12 ARG A 70 5.305 5.923 -11.150 1.00 1.89 H new ATOM 0 HH21 ARG A 70 6.930 8.217 -9.005 1.00 1.79 H new ATOM 0 HH22 ARG A 70 5.719 8.017 -10.276 1.00 1.79 H new ATOM 658 N GLN A 71 12.530 4.813 -5.965 1.00 0.16 N ATOM 659 CA GLN A 71 13.883 5.215 -5.587 1.00 0.16 C ATOM 660 C GLN A 71 14.141 4.953 -4.109 1.00 0.15 C ATOM 661 O GLN A 71 15.086 5.484 -3.525 1.00 0.18 O ATOM 662 CB GLN A 71 14.140 6.704 -5.915 1.00 0.20 C ATOM 663 CG GLN A 71 13.046 7.676 -5.488 1.00 0.38 C ATOM 664 CD GLN A 71 12.318 7.238 -4.247 1.00 0.26 C ATOM 665 OE1 GLN A 71 12.750 7.493 -3.137 1.00 0.89 O ATOM 666 NE2 GLN A 71 11.208 6.565 -4.436 1.00 0.29 N ATOM 0 H GLN A 71 11.838 4.923 -5.223 1.00 0.16 H new ATOM 0 HA GLN A 71 14.575 4.610 -6.173 1.00 0.16 H new ATOM 0 HB2 GLN A 71 15.073 7.005 -5.439 1.00 0.20 H new ATOM 0 HB3 GLN A 71 14.285 6.800 -6.991 1.00 0.20 H new ATOM 0 HG2 GLN A 71 13.488 8.657 -5.315 1.00 0.38 H new ATOM 0 HG3 GLN A 71 12.330 7.787 -6.302 1.00 0.38 H new ATOM 0 HE21 GLN A 71 10.883 6.374 -5.384 1.00 0.29 H new ATOM 0 HE22 GLN A 71 10.670 6.233 -3.635 1.00 0.29 H new ATOM 675 N TRP A 72 13.300 4.128 -3.512 1.00 0.12 N ATOM 676 CA TRP A 72 13.379 3.843 -2.096 1.00 0.11 C ATOM 677 C TRP A 72 14.485 2.845 -1.795 1.00 0.12 C ATOM 678 O TRP A 72 14.952 2.134 -2.677 1.00 0.14 O ATOM 679 CB TRP A 72 12.046 3.236 -1.654 1.00 0.11 C ATOM 680 CG TRP A 72 11.045 4.216 -1.157 1.00 0.09 C ATOM 681 CD1 TRP A 72 11.240 5.529 -0.853 1.00 0.10 C ATOM 682 CD2 TRP A 72 9.677 3.937 -0.890 1.00 0.08 C ATOM 683 NE1 TRP A 72 10.062 6.081 -0.418 1.00 0.10 N ATOM 684 CE2 TRP A 72 9.085 5.119 -0.436 1.00 0.08 C ATOM 685 CE3 TRP A 72 8.898 2.792 -1.000 1.00 0.09 C ATOM 686 CZ2 TRP A 72 7.738 5.188 -0.092 1.00 0.09 C ATOM 687 CZ3 TRP A 72 7.568 2.859 -0.661 1.00 0.10 C ATOM 688 CH2 TRP A 72 6.999 4.048 -0.212 1.00 0.10 C ATOM 0 H TRP A 72 12.546 3.640 -3.996 1.00 0.12 H new ATOM 0 HA TRP A 72 13.593 4.770 -1.564 1.00 0.11 H new ATOM 0 HB2 TRP A 72 11.614 2.693 -2.495 1.00 0.11 H new ATOM 0 HB3 TRP A 72 12.239 2.506 -0.868 1.00 0.11 H new ATOM 0 HD1 TRP A 72 12.179 6.055 -0.941 1.00 0.10 H new ATOM 0 HE1 TRP A 72 9.934 7.050 -0.128 1.00 0.10 H new ATOM 0 HE3 TRP A 72 9.330 1.865 -1.346 1.00 0.09 H new ATOM 0 HZ2 TRP A 72 7.295 6.109 0.257 1.00 0.09 H new ATOM 0 HZ3 TRP A 72 6.954 1.975 -0.744 1.00 0.10 H new ATOM 0 HH2 TRP A 72 5.951 4.068 0.047 1.00 0.10 H new ATOM 699 N THR A 73 14.949 2.839 -0.561 1.00 0.14 N ATOM 700 CA THR A 73 15.787 1.765 -0.083 1.00 0.15 C ATOM 701 C THR A 73 14.902 0.607 0.349 1.00 0.15 C ATOM 702 O THR A 73 13.682 0.778 0.443 1.00 0.16 O ATOM 703 CB THR A 73 16.648 2.222 1.109 1.00 0.18 C ATOM 704 OG1 THR A 73 15.798 2.694 2.165 1.00 0.19 O ATOM 705 CG2 THR A 73 17.600 3.334 0.697 1.00 0.21 C ATOM 0 H THR A 73 14.758 3.568 0.127 1.00 0.14 H new ATOM 0 HA THR A 73 16.455 1.456 -0.887 1.00 0.15 H new ATOM 0 HB THR A 73 17.234 1.370 1.454 1.00 0.18 H new ATOM 0 HG1 THR A 73 16.348 2.983 2.923 1.00 0.19 H new ATOM 0 HG21 THR A 73 18.197 3.639 1.557 1.00 0.21 H new ATOM 0 HG22 THR A 73 18.259 2.975 -0.093 1.00 0.21 H new ATOM 0 HG23 THR A 73 17.027 4.187 0.332 1.00 0.21 H new ATOM 713 N GLU A 74 15.483 -0.554 0.617 1.00 0.17 N ATOM 714 CA GLU A 74 14.698 -1.678 1.119 1.00 0.20 C ATOM 715 C GLU A 74 13.972 -1.279 2.403 1.00 0.19 C ATOM 716 O GLU A 74 12.862 -1.737 2.677 1.00 0.28 O ATOM 717 CB GLU A 74 15.584 -2.896 1.386 1.00 0.29 C ATOM 718 CG GLU A 74 16.663 -2.651 2.427 1.00 1.25 C ATOM 719 CD GLU A 74 17.200 -3.935 3.017 1.00 1.79 C ATOM 720 OE1 GLU A 74 16.639 -4.400 4.031 1.00 1.99 O ATOM 721 OE2 GLU A 74 18.180 -4.481 2.478 1.00 2.67 O ATOM 0 H GLU A 74 16.478 -0.743 0.499 1.00 0.17 H new ATOM 0 HA GLU A 74 13.968 -1.945 0.355 1.00 0.20 H new ATOM 0 HB2 GLU A 74 14.957 -3.725 1.714 1.00 0.29 H new ATOM 0 HB3 GLU A 74 16.056 -3.203 0.452 1.00 0.29 H new ATOM 0 HG2 GLU A 74 17.482 -2.093 1.973 1.00 1.25 H new ATOM 0 HG3 GLU A 74 16.258 -2.029 3.226 1.00 1.25 H new ATOM 728 N THR A 75 14.600 -0.387 3.160 1.00 0.18 N ATOM 729 CA THR A 75 14.071 0.057 4.431 1.00 0.21 C ATOM 730 C THR A 75 12.887 0.997 4.227 1.00 0.17 C ATOM 731 O THR A 75 11.904 0.929 4.956 1.00 0.20 O ATOM 732 CB THR A 75 15.162 0.775 5.245 1.00 0.29 C ATOM 733 OG1 THR A 75 16.396 0.055 5.131 1.00 0.47 O ATOM 734 CG2 THR A 75 14.769 0.886 6.712 1.00 0.47 C ATOM 0 H THR A 75 15.488 0.044 2.905 1.00 0.18 H new ATOM 0 HA THR A 75 13.733 -0.822 4.979 1.00 0.21 H new ATOM 0 HB THR A 75 15.281 1.782 4.846 1.00 0.29 H new ATOM 0 HG1 THR A 75 17.091 0.513 5.648 1.00 0.47 H new ATOM 0 HG21 THR A 75 15.559 1.397 7.262 1.00 0.47 H new ATOM 0 HG22 THR A 75 13.841 1.452 6.798 1.00 0.47 H new ATOM 0 HG23 THR A 75 14.625 -0.112 7.127 1.00 0.47 H new ATOM 742 N HIS A 76 12.967 1.846 3.201 1.00 0.14 N ATOM 743 CA HIS A 76 11.906 2.817 2.939 1.00 0.12 C ATOM 744 C HIS A 76 10.680 2.100 2.386 1.00 0.10 C ATOM 745 O HIS A 76 9.539 2.438 2.717 1.00 0.10 O ATOM 746 CB HIS A 76 12.381 3.921 1.975 1.00 0.14 C ATOM 747 CG HIS A 76 13.382 4.857 2.576 1.00 0.15 C ATOM 748 ND1 HIS A 76 14.299 5.561 1.828 1.00 0.20 N ATOM 749 CD2 HIS A 76 13.598 5.215 3.861 1.00 0.16 C ATOM 750 CE1 HIS A 76 15.038 6.303 2.625 1.00 0.22 C ATOM 751 NE2 HIS A 76 14.636 6.113 3.867 1.00 0.19 N ATOM 0 H HIS A 76 13.747 1.881 2.545 1.00 0.14 H new ATOM 0 HA HIS A 76 11.640 3.302 3.878 1.00 0.12 H new ATOM 0 HB2 HIS A 76 12.817 3.456 1.091 1.00 0.14 H new ATOM 0 HB3 HIS A 76 11.517 4.494 1.640 1.00 0.14 H new ATOM 0 HD2 HIS A 76 13.054 4.860 4.724 1.00 0.16 H new ATOM 0 HE1 HIS A 76 15.839 6.958 2.314 1.00 0.22 H new ATOM 0 HE2 HIS A 76 15.031 6.559 4.695 1.00 0.19 H new ATOM 760 N VAL A 77 10.930 1.084 1.565 1.00 0.09 N ATOM 761 CA VAL A 77 9.878 0.262 1.018 1.00 0.07 C ATOM 762 C VAL A 77 9.190 -0.508 2.135 1.00 0.08 C ATOM 763 O VAL A 77 7.987 -0.393 2.315 1.00 0.08 O ATOM 764 CB VAL A 77 10.430 -0.720 -0.040 1.00 0.08 C ATOM 765 CG1 VAL A 77 9.383 -1.758 -0.411 1.00 0.09 C ATOM 766 CG2 VAL A 77 10.899 0.037 -1.280 1.00 0.08 C ATOM 0 H VAL A 77 11.868 0.815 1.267 1.00 0.09 H new ATOM 0 HA VAL A 77 9.155 0.914 0.529 1.00 0.07 H new ATOM 0 HB VAL A 77 11.286 -1.240 0.391 1.00 0.08 H new ATOM 0 HG11 VAL A 77 9.794 -2.438 -1.157 1.00 0.09 H new ATOM 0 HG12 VAL A 77 9.099 -2.322 0.477 1.00 0.09 H new ATOM 0 HG13 VAL A 77 8.505 -1.259 -0.820 1.00 0.09 H new ATOM 0 HG21 VAL A 77 11.284 -0.671 -2.014 1.00 0.08 H new ATOM 0 HG22 VAL A 77 10.061 0.586 -1.710 1.00 0.08 H new ATOM 0 HG23 VAL A 77 11.687 0.737 -1.002 1.00 0.08 H new ATOM 776 N ARG A 78 9.971 -1.257 2.911 1.00 0.09 N ATOM 777 CA ARG A 78 9.423 -2.057 4.003 1.00 0.11 C ATOM 778 C ARG A 78 8.732 -1.193 5.048 1.00 0.10 C ATOM 779 O ARG A 78 7.772 -1.630 5.680 1.00 0.14 O ATOM 780 CB ARG A 78 10.508 -2.902 4.658 1.00 0.18 C ATOM 781 CG ARG A 78 10.861 -4.142 3.852 1.00 0.37 C ATOM 782 CD ARG A 78 11.670 -5.133 4.670 1.00 0.40 C ATOM 783 NE ARG A 78 13.061 -4.717 4.844 1.00 1.11 N ATOM 784 CZ ARG A 78 13.673 -4.649 6.027 1.00 1.43 C ATOM 785 NH1 ARG A 78 12.979 -4.768 7.149 1.00 1.57 N ATOM 786 NH2 ARG A 78 14.978 -4.419 6.091 1.00 2.21 N ATOM 0 H ARG A 78 10.983 -1.326 2.804 1.00 0.09 H new ATOM 0 HA ARG A 78 8.675 -2.719 3.567 1.00 0.11 H new ATOM 0 HB2 ARG A 78 11.403 -2.295 4.791 1.00 0.18 H new ATOM 0 HB3 ARG A 78 10.176 -3.203 5.652 1.00 0.18 H new ATOM 0 HG2 ARG A 78 9.947 -4.621 3.501 1.00 0.37 H new ATOM 0 HG3 ARG A 78 11.428 -3.852 2.968 1.00 0.37 H new ATOM 0 HD2 ARG A 78 11.206 -5.255 5.649 1.00 0.40 H new ATOM 0 HD3 ARG A 78 11.645 -6.107 4.182 1.00 0.40 H new ATOM 0 HE ARG A 78 13.594 -4.464 4.012 1.00 1.11 H new ATOM 0 HH11 ARG A 78 11.970 -4.913 7.112 1.00 1.57 H new ATOM 0 HH12 ARG A 78 13.454 -4.715 8.050 1.00 1.57 H new ATOM 0 HH21 ARG A 78 15.516 -4.294 5.234 1.00 2.21 H new ATOM 0 HH22 ARG A 78 15.443 -4.368 6.997 1.00 2.21 H new ATOM 800 N ASP A 79 9.224 0.027 5.217 1.00 0.11 N ATOM 801 CA ASP A 79 8.595 1.003 6.103 1.00 0.12 C ATOM 802 C ASP A 79 7.146 1.191 5.710 1.00 0.11 C ATOM 803 O ASP A 79 6.219 0.983 6.503 1.00 0.12 O ATOM 804 CB ASP A 79 9.309 2.348 5.993 1.00 0.16 C ATOM 805 CG ASP A 79 9.984 2.764 7.286 1.00 0.57 C ATOM 806 OD1 ASP A 79 9.294 2.838 8.323 1.00 1.05 O ATOM 807 OD2 ASP A 79 11.210 3.007 7.276 1.00 0.95 O ATOM 0 H ASP A 79 10.064 0.368 4.749 1.00 0.11 H new ATOM 0 HA ASP A 79 8.660 0.635 7.127 1.00 0.12 H new ATOM 0 HB2 ASP A 79 10.055 2.294 5.200 1.00 0.16 H new ATOM 0 HB3 ASP A 79 8.589 3.113 5.702 1.00 0.16 H new ATOM 812 N TRP A 80 6.964 1.528 4.450 1.00 0.10 N ATOM 813 CA TRP A 80 5.657 1.794 3.899 1.00 0.09 C ATOM 814 C TRP A 80 4.878 0.489 3.740 1.00 0.09 C ATOM 815 O TRP A 80 3.649 0.462 3.855 1.00 0.09 O ATOM 816 CB TRP A 80 5.870 2.494 2.560 1.00 0.09 C ATOM 817 CG TRP A 80 4.796 2.279 1.563 1.00 0.09 C ATOM 818 CD1 TRP A 80 3.699 3.050 1.351 1.00 0.10 C ATOM 819 CD2 TRP A 80 4.735 1.212 0.623 1.00 0.09 C ATOM 820 NE1 TRP A 80 2.962 2.527 0.320 1.00 0.10 N ATOM 821 CE2 TRP A 80 3.580 1.394 -0.135 1.00 0.09 C ATOM 822 CE3 TRP A 80 5.556 0.116 0.354 1.00 0.10 C ATOM 823 CZ2 TRP A 80 3.223 0.523 -1.147 1.00 0.09 C ATOM 824 CZ3 TRP A 80 5.196 -0.750 -0.651 1.00 0.11 C ATOM 825 CH2 TRP A 80 4.039 -0.542 -1.395 1.00 0.10 C ATOM 0 H TRP A 80 7.725 1.625 3.778 1.00 0.10 H new ATOM 0 HA TRP A 80 5.068 2.431 4.559 1.00 0.09 H new ATOM 0 HB2 TRP A 80 5.970 3.565 2.739 1.00 0.09 H new ATOM 0 HB3 TRP A 80 6.814 2.152 2.135 1.00 0.09 H new ATOM 0 HD1 TRP A 80 3.446 3.939 1.909 1.00 0.10 H new ATOM 0 HE1 TRP A 80 2.095 2.918 -0.048 1.00 0.10 H new ATOM 0 HE3 TRP A 80 6.458 -0.049 0.925 1.00 0.10 H new ATOM 0 HZ2 TRP A 80 2.324 0.681 -1.725 1.00 0.09 H new ATOM 0 HZ3 TRP A 80 5.821 -1.604 -0.866 1.00 0.11 H new ATOM 0 HH2 TRP A 80 3.782 -1.235 -2.182 1.00 0.10 H new ATOM 836 N VAL A 81 5.628 -0.584 3.516 1.00 0.10 N ATOM 837 CA VAL A 81 5.079 -1.912 3.334 1.00 0.11 C ATOM 838 C VAL A 81 4.326 -2.340 4.584 1.00 0.11 C ATOM 839 O VAL A 81 3.128 -2.617 4.549 1.00 0.11 O ATOM 840 CB VAL A 81 6.227 -2.911 3.014 1.00 0.13 C ATOM 841 CG1 VAL A 81 5.946 -4.312 3.522 1.00 0.14 C ATOM 842 CG2 VAL A 81 6.500 -2.951 1.520 1.00 0.14 C ATOM 0 H VAL A 81 6.646 -0.550 3.456 1.00 0.10 H new ATOM 0 HA VAL A 81 4.379 -1.904 2.499 1.00 0.11 H new ATOM 0 HB VAL A 81 7.110 -2.546 3.539 1.00 0.13 H new ATOM 0 HG11 VAL A 81 6.782 -4.965 3.270 1.00 0.14 H new ATOM 0 HG12 VAL A 81 5.818 -4.288 4.604 1.00 0.14 H new ATOM 0 HG13 VAL A 81 5.036 -4.692 3.058 1.00 0.14 H new ATOM 0 HG21 VAL A 81 7.306 -3.656 1.316 1.00 0.14 H new ATOM 0 HG22 VAL A 81 5.600 -3.268 0.994 1.00 0.14 H new ATOM 0 HG23 VAL A 81 6.790 -1.958 1.176 1.00 0.14 H new ATOM 852 N MET A 82 5.028 -2.363 5.695 1.00 0.11 N ATOM 853 CA MET A 82 4.417 -2.744 6.945 1.00 0.12 C ATOM 854 C MET A 82 3.485 -1.663 7.474 1.00 0.11 C ATOM 855 O MET A 82 2.711 -1.930 8.379 1.00 0.12 O ATOM 856 CB MET A 82 5.457 -3.138 7.988 1.00 0.15 C ATOM 857 CG MET A 82 6.340 -2.000 8.462 1.00 0.13 C ATOM 858 SD MET A 82 7.609 -2.553 9.619 1.00 0.49 S ATOM 859 CE MET A 82 6.611 -3.451 10.805 1.00 0.42 C ATOM 0 H MET A 82 6.018 -2.123 5.757 1.00 0.11 H new ATOM 0 HA MET A 82 3.809 -3.626 6.742 1.00 0.12 H new ATOM 0 HB2 MET A 82 4.944 -3.565 8.850 1.00 0.15 H new ATOM 0 HB3 MET A 82 6.090 -3.922 7.572 1.00 0.15 H new ATOM 0 HG2 MET A 82 6.816 -1.530 7.601 1.00 0.13 H new ATOM 0 HG3 MET A 82 5.723 -1.239 8.940 1.00 0.13 H new ATOM 0 HE1 MET A 82 7.159 -3.548 11.742 1.00 0.42 H new ATOM 0 HE2 MET A 82 5.682 -2.910 10.983 1.00 0.42 H new ATOM 0 HE3 MET A 82 6.384 -4.442 10.413 1.00 0.42 H new ATOM 869 N TRP A 83 3.553 -0.439 6.944 1.00 0.09 N ATOM 870 CA TRP A 83 2.654 0.600 7.427 1.00 0.09 C ATOM 871 C TRP A 83 1.211 0.321 7.009 1.00 0.09 C ATOM 872 O TRP A 83 0.340 0.183 7.860 1.00 0.11 O ATOM 873 CB TRP A 83 3.075 2.000 6.961 1.00 0.09 C ATOM 874 CG TRP A 83 2.114 3.049 7.411 1.00 0.10 C ATOM 875 CD1 TRP A 83 2.106 3.702 8.608 1.00 0.12 C ATOM 876 CD2 TRP A 83 1.002 3.553 6.669 1.00 0.11 C ATOM 877 NE1 TRP A 83 1.054 4.578 8.654 1.00 0.14 N ATOM 878 CE2 TRP A 83 0.363 4.506 7.475 1.00 0.13 C ATOM 879 CE3 TRP A 83 0.489 3.290 5.397 1.00 0.12 C ATOM 880 CZ2 TRP A 83 -0.764 5.196 7.049 1.00 0.15 C ATOM 881 CZ3 TRP A 83 -0.629 3.974 4.977 1.00 0.14 C ATOM 882 CH2 TRP A 83 -1.243 4.919 5.800 1.00 0.15 C ATOM 0 H TRP A 83 4.198 -0.154 6.207 1.00 0.09 H new ATOM 0 HA TRP A 83 2.717 0.580 8.515 1.00 0.09 H new ATOM 0 HB2 TRP A 83 4.068 2.228 7.348 1.00 0.09 H new ATOM 0 HB3 TRP A 83 3.145 2.015 5.873 1.00 0.09 H new ATOM 0 HD1 TRP A 83 2.823 3.551 9.402 1.00 0.12 H new ATOM 0 HE1 TRP A 83 0.823 5.186 9.440 1.00 0.14 H new ATOM 0 HE3 TRP A 83 0.962 2.562 4.754 1.00 0.12 H new ATOM 0 HZ2 TRP A 83 -1.245 5.926 7.683 1.00 0.15 H new ATOM 0 HZ3 TRP A 83 -1.037 3.777 3.997 1.00 0.14 H new ATOM 0 HH2 TRP A 83 -2.117 5.443 5.441 1.00 0.15 H new ATOM 893 N ALA A 84 0.943 0.226 5.711 1.00 0.09 N ATOM 894 CA ALA A 84 -0.425 -0.034 5.264 1.00 0.10 C ATOM 895 C ALA A 84 -0.900 -1.341 5.885 1.00 0.10 C ATOM 896 O ALA A 84 -2.043 -1.477 6.329 1.00 0.12 O ATOM 897 CB ALA A 84 -0.510 -0.087 3.744 1.00 0.12 C ATOM 0 H ALA A 84 1.633 0.322 4.966 1.00 0.09 H new ATOM 0 HA ALA A 84 -1.072 0.781 5.588 1.00 0.10 H new ATOM 0 HB1 ALA A 84 -1.540 -0.282 3.444 1.00 0.12 H new ATOM 0 HB2 ALA A 84 -0.185 0.867 3.328 1.00 0.12 H new ATOM 0 HB3 ALA A 84 0.134 -0.884 3.371 1.00 0.12 H new ATOM 903 N VAL A 85 0.033 -2.274 5.949 1.00 0.10 N ATOM 904 CA VAL A 85 -0.151 -3.539 6.627 1.00 0.11 C ATOM 905 C VAL A 85 -0.523 -3.359 8.108 1.00 0.13 C ATOM 906 O VAL A 85 -1.520 -3.912 8.562 1.00 0.14 O ATOM 907 CB VAL A 85 1.142 -4.385 6.479 1.00 0.12 C ATOM 908 CG1 VAL A 85 1.305 -5.411 7.593 1.00 0.15 C ATOM 909 CG2 VAL A 85 1.159 -5.073 5.127 1.00 0.14 C ATOM 0 H VAL A 85 0.954 -2.170 5.523 1.00 0.10 H new ATOM 0 HA VAL A 85 -0.988 -4.059 6.162 1.00 0.11 H new ATOM 0 HB VAL A 85 1.985 -3.698 6.555 1.00 0.12 H new ATOM 0 HG11 VAL A 85 2.226 -5.973 7.438 1.00 0.15 H new ATOM 0 HG12 VAL A 85 1.349 -4.900 8.555 1.00 0.15 H new ATOM 0 HG13 VAL A 85 0.456 -6.095 7.585 1.00 0.15 H new ATOM 0 HG21 VAL A 85 2.070 -5.665 5.031 1.00 0.14 H new ATOM 0 HG22 VAL A 85 0.291 -5.727 5.040 1.00 0.14 H new ATOM 0 HG23 VAL A 85 1.129 -4.323 4.337 1.00 0.14 H new ATOM 919 N ASN A 86 0.258 -2.593 8.862 1.00 0.15 N ATOM 920 CA ASN A 86 0.036 -2.488 10.305 1.00 0.19 C ATOM 921 C ASN A 86 -1.199 -1.658 10.650 1.00 0.23 C ATOM 922 O ASN A 86 -1.769 -1.820 11.725 1.00 0.27 O ATOM 923 CB ASN A 86 1.290 -1.985 11.049 1.00 0.23 C ATOM 924 CG ASN A 86 1.358 -0.480 11.277 1.00 0.34 C ATOM 925 OD1 ASN A 86 1.896 -0.026 12.286 1.00 0.61 O ATOM 926 ND2 ASN A 86 0.841 0.299 10.355 1.00 0.32 N ATOM 0 H ASN A 86 1.040 -2.042 8.508 1.00 0.15 H new ATOM 0 HA ASN A 86 -0.162 -3.500 10.657 1.00 0.19 H new ATOM 0 HB2 ASN A 86 1.342 -2.484 12.017 1.00 0.23 H new ATOM 0 HB3 ASN A 86 2.172 -2.290 10.486 1.00 0.23 H new ATOM 0 HD21 ASN A 86 0.879 1.312 10.464 1.00 0.32 H new ATOM 0 HD22 ASN A 86 0.402 -0.109 9.530 1.00 0.32 H new ATOM 933 N GLU A 87 -1.635 -0.794 9.734 1.00 0.24 N ATOM 934 CA GLU A 87 -2.825 0.014 9.970 1.00 0.31 C ATOM 935 C GLU A 87 -4.037 -0.876 9.824 1.00 0.28 C ATOM 936 O GLU A 87 -5.022 -0.758 10.553 1.00 0.35 O ATOM 937 CB GLU A 87 -2.907 1.175 8.980 1.00 0.38 C ATOM 938 CG GLU A 87 -1.801 2.197 9.154 1.00 1.23 C ATOM 939 CD GLU A 87 -1.840 2.868 10.511 1.00 1.35 C ATOM 940 OE1 GLU A 87 -2.849 3.531 10.822 1.00 1.08 O ATOM 941 OE2 GLU A 87 -0.862 2.729 11.279 1.00 2.15 O ATOM 0 H GLU A 87 -1.186 -0.638 8.832 1.00 0.24 H new ATOM 0 HA GLU A 87 -2.781 0.438 10.973 1.00 0.31 H new ATOM 0 HB2 GLU A 87 -2.869 0.780 7.965 1.00 0.38 H new ATOM 0 HB3 GLU A 87 -3.871 1.671 9.093 1.00 0.38 H new ATOM 0 HG2 GLU A 87 -0.835 1.709 9.021 1.00 1.23 H new ATOM 0 HG3 GLU A 87 -1.885 2.955 8.375 1.00 1.23 H new ATOM 948 N PHE A 88 -3.923 -1.788 8.877 1.00 0.23 N ATOM 949 CA PHE A 88 -4.920 -2.814 8.660 1.00 0.23 C ATOM 950 C PHE A 88 -4.754 -3.950 9.659 1.00 0.25 C ATOM 951 O PHE A 88 -5.517 -4.916 9.656 1.00 0.30 O ATOM 952 CB PHE A 88 -4.788 -3.348 7.243 1.00 0.24 C ATOM 953 CG PHE A 88 -5.622 -2.601 6.251 1.00 0.28 C ATOM 954 CD1 PHE A 88 -6.965 -2.884 6.099 1.00 0.41 C ATOM 955 CD2 PHE A 88 -5.054 -1.614 5.464 1.00 0.42 C ATOM 956 CE1 PHE A 88 -7.727 -2.197 5.179 1.00 0.47 C ATOM 957 CE2 PHE A 88 -5.812 -0.922 4.543 1.00 0.50 C ATOM 958 CZ PHE A 88 -7.185 -1.220 4.426 1.00 0.45 C ATOM 0 H PHE A 88 -3.132 -1.836 8.235 1.00 0.23 H new ATOM 0 HA PHE A 88 -5.910 -2.379 8.801 1.00 0.23 H new ATOM 0 HB2 PHE A 88 -3.742 -3.299 6.939 1.00 0.24 H new ATOM 0 HB3 PHE A 88 -5.074 -4.400 7.230 1.00 0.24 H new ATOM 0 HD1 PHE A 88 -7.422 -3.651 6.707 1.00 0.41 H new ATOM 0 HD2 PHE A 88 -4.005 -1.383 5.573 1.00 0.42 H new ATOM 0 HE1 PHE A 88 -8.771 -2.445 5.060 1.00 0.47 H new ATOM 0 HE2 PHE A 88 -5.361 -0.163 3.921 1.00 0.50 H new ATOM 0 HZ PHE A 88 -7.802 -0.666 3.734 1.00 0.45 H new ATOM 968 N SER A 89 -3.757 -3.800 10.530 1.00 0.27 N ATOM 969 CA SER A 89 -3.383 -4.829 11.488 1.00 0.34 C ATOM 970 C SER A 89 -3.149 -6.173 10.799 1.00 0.36 C ATOM 971 O SER A 89 -3.463 -7.225 11.353 1.00 0.48 O ATOM 972 CB SER A 89 -4.460 -4.957 12.568 1.00 0.45 C ATOM 973 OG SER A 89 -4.695 -3.704 13.191 1.00 1.07 O ATOM 0 H SER A 89 -3.186 -2.957 10.588 1.00 0.27 H new ATOM 0 HA SER A 89 -2.445 -4.532 11.957 1.00 0.34 H new ATOM 0 HB2 SER A 89 -5.384 -5.328 12.125 1.00 0.45 H new ATOM 0 HB3 SER A 89 -4.149 -5.688 13.315 1.00 0.45 H new ATOM 0 HG SER A 89 -5.387 -3.805 13.877 1.00 1.07 H new ATOM 979 N LEU A 90 -2.569 -6.139 9.598 1.00 0.31 N ATOM 980 CA LEU A 90 -2.342 -7.356 8.842 1.00 0.40 C ATOM 981 C LEU A 90 -1.233 -8.135 9.511 1.00 0.59 C ATOM 982 O LEU A 90 -1.359 -9.333 9.747 1.00 1.23 O ATOM 983 CB LEU A 90 -1.949 -7.007 7.402 1.00 0.33 C ATOM 984 CG LEU A 90 -2.867 -5.994 6.719 1.00 0.24 C ATOM 985 CD1 LEU A 90 -2.387 -5.703 5.311 1.00 0.29 C ATOM 986 CD2 LEU A 90 -4.297 -6.515 6.690 1.00 0.27 C ATOM 0 H LEU A 90 -2.253 -5.286 9.137 1.00 0.31 H new ATOM 0 HA LEU A 90 -3.251 -7.957 8.815 1.00 0.40 H new ATOM 0 HB2 LEU A 90 -0.932 -6.614 7.402 1.00 0.33 H new ATOM 0 HB3 LEU A 90 -1.937 -7.923 6.811 1.00 0.33 H new ATOM 0 HG LEU A 90 -2.842 -5.066 7.291 1.00 0.24 H new ATOM 0 HD11 LEU A 90 -3.054 -4.980 4.842 1.00 0.29 H new ATOM 0 HD12 LEU A 90 -1.377 -5.295 5.348 1.00 0.29 H new ATOM 0 HD13 LEU A 90 -2.385 -6.625 4.730 1.00 0.29 H new ATOM 0 HD21 LEU A 90 -4.941 -5.784 6.201 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -4.331 -7.455 6.139 1.00 0.27 H new ATOM 0 HD23 LEU A 90 -4.645 -6.680 7.710 1.00 0.27 H new ATOM 998 N LYS A 91 -0.170 -7.397 9.844 1.00 0.24 N ATOM 999 CA LYS A 91 0.952 -7.873 10.656 1.00 0.39 C ATOM 1000 C LYS A 91 1.324 -9.334 10.398 1.00 0.26 C ATOM 1001 O LYS A 91 1.688 -10.061 11.322 1.00 0.39 O ATOM 1002 CB LYS A 91 0.642 -7.634 12.134 1.00 0.78 C ATOM 1003 CG LYS A 91 0.504 -6.155 12.464 1.00 1.31 C ATOM 1004 CD LYS A 91 0.082 -5.924 13.906 1.00 1.49 C ATOM 1005 CE LYS A 91 0.077 -4.441 14.251 1.00 1.91 C ATOM 1006 NZ LYS A 91 -0.362 -4.191 15.649 1.00 2.48 N ATOM 0 H LYS A 91 -0.064 -6.427 9.548 1.00 0.24 H new ATOM 0 HA LYS A 91 1.831 -7.299 10.361 1.00 0.39 H new ATOM 0 HB2 LYS A 91 -0.281 -8.150 12.397 1.00 0.78 H new ATOM 0 HB3 LYS A 91 1.435 -8.068 12.744 1.00 0.78 H new ATOM 0 HG2 LYS A 91 1.454 -5.654 12.281 1.00 1.31 H new ATOM 0 HG3 LYS A 91 -0.229 -5.703 11.796 1.00 1.31 H new ATOM 0 HD2 LYS A 91 -0.912 -6.340 14.067 1.00 1.49 H new ATOM 0 HD3 LYS A 91 0.761 -6.453 14.575 1.00 1.49 H new ATOM 0 HE2 LYS A 91 1.078 -4.033 14.108 1.00 1.91 H new ATOM 0 HE3 LYS A 91 -0.584 -3.912 13.564 1.00 1.91 H new ATOM 0 HZ1 LYS A 91 -0.350 -3.169 15.839 1.00 2.48 H new ATOM 0 HZ2 LYS A 91 -1.327 -4.556 15.780 1.00 2.48 H new ATOM 0 HZ3 LYS A 91 0.283 -4.673 16.307 1.00 2.48 H new ATOM 1020 N GLY A 92 1.247 -9.758 9.145 1.00 0.26 N ATOM 1021 CA GLY A 92 1.659 -11.094 8.775 1.00 0.31 C ATOM 1022 C GLY A 92 2.280 -11.079 7.400 1.00 0.31 C ATOM 1023 O GLY A 92 2.002 -11.931 6.556 1.00 0.47 O ATOM 0 H GLY A 92 0.902 -9.192 8.370 1.00 0.26 H new ATOM 0 HA2 GLY A 92 2.375 -11.478 9.502 1.00 0.31 H new ATOM 0 HA3 GLY A 92 0.800 -11.765 8.788 1.00 0.31 H new ATOM 1027 N VAL A 93 3.109 -10.075 7.183 1.00 0.21 N ATOM 1028 CA VAL A 93 3.769 -9.869 5.917 1.00 0.21 C ATOM 1029 C VAL A 93 5.166 -10.453 5.982 1.00 0.20 C ATOM 1030 O VAL A 93 5.869 -10.285 6.983 1.00 0.22 O ATOM 1031 CB VAL A 93 3.795 -8.358 5.563 1.00 0.21 C ATOM 1032 CG1 VAL A 93 5.188 -7.865 5.213 1.00 0.21 C ATOM 1033 CG2 VAL A 93 2.850 -8.086 4.412 1.00 0.23 C ATOM 0 H VAL A 93 3.342 -9.377 7.889 1.00 0.21 H new ATOM 0 HA VAL A 93 3.219 -10.378 5.125 1.00 0.21 H new ATOM 0 HB VAL A 93 3.474 -7.812 6.450 1.00 0.21 H new ATOM 0 HG11 VAL A 93 5.148 -6.802 4.974 1.00 0.21 H new ATOM 0 HG12 VAL A 93 5.853 -8.021 6.062 1.00 0.21 H new ATOM 0 HG13 VAL A 93 5.564 -8.417 4.351 1.00 0.21 H new ATOM 0 HG21 VAL A 93 2.871 -7.024 4.167 1.00 0.23 H new ATOM 0 HG22 VAL A 93 3.160 -8.666 3.542 1.00 0.23 H new ATOM 0 HG23 VAL A 93 1.838 -8.372 4.697 1.00 0.23 H new ATOM 1043 N ASP A 94 5.556 -11.169 4.940 1.00 0.21 N ATOM 1044 CA ASP A 94 6.883 -11.736 4.906 1.00 0.24 C ATOM 1045 C ASP A 94 7.834 -10.644 4.484 1.00 0.21 C ATOM 1046 O ASP A 94 7.954 -10.337 3.299 1.00 0.20 O ATOM 1047 CB ASP A 94 6.963 -12.928 3.952 1.00 0.32 C ATOM 1048 CG ASP A 94 8.262 -13.698 4.104 1.00 1.02 C ATOM 1049 OD1 ASP A 94 9.316 -13.203 3.655 1.00 1.94 O ATOM 1050 OD2 ASP A 94 8.236 -14.805 4.678 1.00 1.10 O ATOM 0 H ASP A 94 4.980 -11.366 4.122 1.00 0.21 H new ATOM 0 HA ASP A 94 7.148 -12.114 5.893 1.00 0.24 H new ATOM 0 HB2 ASP A 94 6.122 -13.597 4.138 1.00 0.32 H new ATOM 0 HB3 ASP A 94 6.869 -12.576 2.925 1.00 0.32 H new ATOM 1055 N PHE A 95 8.480 -10.032 5.465 1.00 0.23 N ATOM 1056 CA PHE A 95 9.309 -8.862 5.221 1.00 0.24 C ATOM 1057 C PHE A 95 10.434 -9.180 4.244 1.00 0.23 C ATOM 1058 O PHE A 95 11.021 -8.282 3.643 1.00 0.28 O ATOM 1059 CB PHE A 95 9.899 -8.328 6.529 1.00 0.29 C ATOM 1060 CG PHE A 95 8.866 -7.896 7.530 1.00 0.37 C ATOM 1061 CD1 PHE A 95 8.003 -6.851 7.245 1.00 0.55 C ATOM 1062 CD2 PHE A 95 8.759 -8.533 8.756 1.00 0.41 C ATOM 1063 CE1 PHE A 95 7.049 -6.452 8.162 1.00 0.66 C ATOM 1064 CE2 PHE A 95 7.808 -8.138 9.677 1.00 0.52 C ATOM 1065 CZ PHE A 95 6.956 -7.095 9.383 1.00 0.61 C ATOM 0 H PHE A 95 8.446 -10.328 6.441 1.00 0.23 H new ATOM 0 HA PHE A 95 8.670 -8.096 4.782 1.00 0.24 H new ATOM 0 HB2 PHE A 95 10.524 -9.101 6.977 1.00 0.29 H new ATOM 0 HB3 PHE A 95 10.549 -7.483 6.305 1.00 0.29 H new ATOM 0 HD1 PHE A 95 8.076 -6.342 6.295 1.00 0.55 H new ATOM 0 HD2 PHE A 95 9.427 -9.348 8.994 1.00 0.41 H new ATOM 0 HE1 PHE A 95 6.378 -5.640 7.926 1.00 0.66 H new ATOM 0 HE2 PHE A 95 7.732 -8.646 10.627 1.00 0.52 H new ATOM 0 HZ PHE A 95 6.217 -6.780 10.105 1.00 0.61 H new ATOM 1075 N GLN A 96 10.733 -10.461 4.095 1.00 0.21 N ATOM 1076 CA GLN A 96 11.794 -10.894 3.199 1.00 0.24 C ATOM 1077 C GLN A 96 11.266 -11.128 1.798 1.00 0.21 C ATOM 1078 O GLN A 96 12.017 -11.065 0.827 1.00 0.25 O ATOM 1079 CB GLN A 96 12.484 -12.145 3.730 1.00 0.33 C ATOM 1080 CG GLN A 96 13.273 -11.886 5.002 1.00 1.06 C ATOM 1081 CD GLN A 96 14.253 -10.737 4.841 1.00 1.50 C ATOM 1082 OE1 GLN A 96 15.401 -10.934 4.456 1.00 2.08 O ATOM 1083 NE2 GLN A 96 13.798 -9.526 5.127 1.00 1.93 N ATOM 0 H GLN A 96 10.256 -11.219 4.583 1.00 0.21 H new ATOM 0 HA GLN A 96 12.532 -10.094 3.152 1.00 0.24 H new ATOM 0 HB2 GLN A 96 11.735 -12.914 3.922 1.00 0.33 H new ATOM 0 HB3 GLN A 96 13.154 -12.537 2.965 1.00 0.33 H new ATOM 0 HG2 GLN A 96 12.584 -11.663 5.817 1.00 1.06 H new ATOM 0 HG3 GLN A 96 13.816 -12.789 5.282 1.00 1.06 H new ATOM 0 HE21 GLN A 96 12.836 -9.404 5.444 1.00 1.93 H new ATOM 0 HE22 GLN A 96 14.409 -8.715 5.030 1.00 1.93 H new ATOM 1092 N LYS A 97 9.975 -11.396 1.685 1.00 0.18 N ATOM 1093 CA LYS A 97 9.342 -11.457 0.386 1.00 0.19 C ATOM 1094 C LYS A 97 9.178 -10.030 -0.094 1.00 0.17 C ATOM 1095 O LYS A 97 9.237 -9.739 -1.284 1.00 0.20 O ATOM 1096 CB LYS A 97 7.975 -12.147 0.468 1.00 0.23 C ATOM 1097 CG LYS A 97 7.666 -13.056 -0.715 1.00 0.26 C ATOM 1098 CD LYS A 97 7.677 -12.305 -2.039 1.00 0.25 C ATOM 1099 CE LYS A 97 7.459 -13.246 -3.212 1.00 0.38 C ATOM 1100 NZ LYS A 97 8.453 -14.351 -3.235 1.00 1.43 N ATOM 0 H LYS A 97 9.352 -11.573 2.473 1.00 0.18 H new ATOM 0 HA LYS A 97 9.953 -12.038 -0.304 1.00 0.19 H new ATOM 0 HB2 LYS A 97 7.931 -12.734 1.385 1.00 0.23 H new ATOM 0 HB3 LYS A 97 7.199 -11.385 0.540 1.00 0.23 H new ATOM 0 HG2 LYS A 97 8.398 -13.863 -0.751 1.00 0.26 H new ATOM 0 HG3 LYS A 97 6.689 -13.518 -0.570 1.00 0.26 H new ATOM 0 HD2 LYS A 97 6.898 -11.542 -2.033 1.00 0.25 H new ATOM 0 HD3 LYS A 97 8.629 -11.788 -2.158 1.00 0.25 H new ATOM 0 HE2 LYS A 97 6.454 -13.664 -3.159 1.00 0.38 H new ATOM 0 HE3 LYS A 97 7.521 -12.684 -4.144 1.00 0.38 H new ATOM 0 HZ1 LYS A 97 8.472 -14.781 -4.182 1.00 1.43 H new ATOM 0 HZ2 LYS A 97 9.395 -13.975 -3.006 1.00 1.43 H new ATOM 0 HZ3 LYS A 97 8.188 -15.071 -2.533 1.00 1.43 H new ATOM 1114 N PHE A 98 9.035 -9.139 0.879 1.00 0.16 N ATOM 1115 CA PHE A 98 8.898 -7.719 0.626 1.00 0.16 C ATOM 1116 C PHE A 98 10.262 -7.054 0.503 1.00 0.20 C ATOM 1117 O PHE A 98 10.412 -5.859 0.763 1.00 0.22 O ATOM 1118 CB PHE A 98 8.092 -7.067 1.740 1.00 0.15 C ATOM 1119 CG PHE A 98 6.624 -7.143 1.496 1.00 0.11 C ATOM 1120 CD1 PHE A 98 5.960 -6.147 0.807 1.00 0.11 C ATOM 1121 CD2 PHE A 98 5.904 -8.216 1.977 1.00 0.13 C ATOM 1122 CE1 PHE A 98 4.601 -6.226 0.605 1.00 0.11 C ATOM 1123 CE2 PHE A 98 4.550 -8.306 1.773 1.00 0.13 C ATOM 1124 CZ PHE A 98 3.907 -7.262 1.001 1.00 0.12 C ATOM 0 H PHE A 98 9.011 -9.387 1.868 1.00 0.16 H new ATOM 0 HA PHE A 98 8.371 -7.588 -0.319 1.00 0.16 H new ATOM 0 HB2 PHE A 98 8.326 -7.553 2.687 1.00 0.15 H new ATOM 0 HB3 PHE A 98 8.388 -6.022 1.836 1.00 0.15 H new ATOM 0 HD1 PHE A 98 6.511 -5.301 0.424 1.00 0.11 H new ATOM 0 HD2 PHE A 98 6.413 -8.997 2.522 1.00 0.13 H new ATOM 0 HE1 PHE A 98 4.095 -5.412 0.107 1.00 0.11 H new ATOM 0 HE2 PHE A 98 3.981 -9.131 2.176 1.00 0.13 H new ATOM 0 HZ PHE A 98 2.859 -7.339 0.753 1.00 0.12 H new ATOM 1134 N CYS A 99 11.254 -7.839 0.113 1.00 0.26 N ATOM 1135 CA CYS A 99 12.596 -7.332 -0.084 1.00 0.31 C ATOM 1136 C CYS A 99 12.674 -6.565 -1.395 1.00 0.23 C ATOM 1137 O CYS A 99 13.137 -7.089 -2.410 1.00 0.27 O ATOM 1138 CB CYS A 99 13.586 -8.490 -0.128 1.00 0.45 C ATOM 1139 SG CYS A 99 15.322 -7.999 0.005 1.00 1.20 S ATOM 0 H CYS A 99 11.150 -8.836 -0.074 1.00 0.26 H new ATOM 0 HA CYS A 99 12.844 -6.668 0.744 1.00 0.31 H new ATOM 0 HB2 CYS A 99 13.354 -9.181 0.683 1.00 0.45 H new ATOM 0 HB3 CYS A 99 13.446 -9.035 -1.061 1.00 0.45 H new ATOM 0 HG CYS A 99 16.077 -9.056 -0.041 1.00 1.20 H new ATOM 1145 N MET A 100 12.213 -5.333 -1.381 1.00 0.19 N ATOM 1146 CA MET A 100 12.339 -4.486 -2.543 1.00 0.16 C ATOM 1147 C MET A 100 13.127 -3.246 -2.225 1.00 0.17 C ATOM 1148 O MET A 100 12.892 -2.582 -1.218 1.00 0.20 O ATOM 1149 CB MET A 100 10.982 -4.053 -3.107 1.00 0.22 C ATOM 1150 CG MET A 100 10.242 -5.132 -3.866 1.00 0.22 C ATOM 1151 SD MET A 100 9.351 -6.250 -2.773 1.00 0.13 S ATOM 1152 CE MET A 100 8.215 -5.113 -1.979 1.00 0.18 C ATOM 0 H MET A 100 11.750 -4.899 -0.582 1.00 0.19 H new ATOM 0 HA MET A 100 12.857 -5.087 -3.291 1.00 0.16 H new ATOM 0 HB2 MET A 100 10.354 -3.710 -2.285 1.00 0.22 H new ATOM 0 HB3 MET A 100 11.134 -3.200 -3.769 1.00 0.22 H new ATOM 0 HG2 MET A 100 9.539 -4.669 -4.559 1.00 0.22 H new ATOM 0 HG3 MET A 100 10.951 -5.703 -4.465 1.00 0.22 H new ATOM 0 HE1 MET A 100 8.489 -4.998 -0.930 1.00 0.18 H new ATOM 0 HE2 MET A 100 8.264 -4.144 -2.475 1.00 0.18 H new ATOM 0 HE3 MET A 100 7.200 -5.505 -2.048 1.00 0.18 H new ATOM 1162 N SER A 101 14.073 -2.957 -3.082 1.00 0.16 N ATOM 1163 CA SER A 101 14.580 -1.620 -3.187 1.00 0.18 C ATOM 1164 C SER A 101 13.483 -0.848 -3.896 1.00 0.14 C ATOM 1165 O SER A 101 12.710 -1.460 -4.615 1.00 0.15 O ATOM 1166 CB SER A 101 15.878 -1.609 -3.995 1.00 0.24 C ATOM 1167 OG SER A 101 16.714 -2.691 -3.612 1.00 1.26 O ATOM 0 H SER A 101 14.505 -3.631 -3.715 1.00 0.16 H new ATOM 0 HA SER A 101 14.819 -1.182 -2.218 1.00 0.18 H new ATOM 0 HB2 SER A 101 15.651 -1.677 -5.059 1.00 0.24 H new ATOM 0 HB3 SER A 101 16.401 -0.665 -3.840 1.00 0.24 H new ATOM 0 HG SER A 101 17.539 -2.670 -4.140 1.00 1.26 H new ATOM 1173 N GLY A 102 13.354 0.436 -3.673 1.00 0.13 N ATOM 1174 CA GLY A 102 12.259 1.174 -4.260 1.00 0.14 C ATOM 1175 C GLY A 102 12.086 0.943 -5.756 1.00 0.14 C ATOM 1176 O GLY A 102 10.962 0.772 -6.236 1.00 0.16 O ATOM 0 H GLY A 102 13.986 0.990 -3.095 1.00 0.13 H new ATOM 0 HA2 GLY A 102 11.335 0.899 -3.751 1.00 0.14 H new ATOM 0 HA3 GLY A 102 12.416 2.238 -4.083 1.00 0.14 H new ATOM 1180 N ALA A 103 13.187 0.935 -6.494 1.00 0.17 N ATOM 1181 CA ALA A 103 13.132 0.659 -7.924 1.00 0.21 C ATOM 1182 C ALA A 103 12.528 -0.722 -8.166 1.00 0.21 C ATOM 1183 O ALA A 103 11.760 -0.926 -9.105 1.00 0.25 O ATOM 1184 CB ALA A 103 14.521 0.756 -8.533 1.00 0.26 C ATOM 0 H ALA A 103 14.123 1.115 -6.131 1.00 0.17 H new ATOM 0 HA ALA A 103 12.497 1.403 -8.406 1.00 0.21 H new ATOM 0 HB1 ALA A 103 14.465 0.548 -9.601 1.00 0.26 H new ATOM 0 HB2 ALA A 103 14.916 1.760 -8.379 1.00 0.26 H new ATOM 0 HB3 ALA A 103 15.179 0.030 -8.056 1.00 0.26 H new ATOM 1190 N ALA A 104 12.864 -1.651 -7.279 1.00 0.19 N ATOM 1191 CA ALA A 104 12.329 -3.000 -7.321 1.00 0.20 C ATOM 1192 C ALA A 104 10.867 -3.006 -6.897 1.00 0.16 C ATOM 1193 O ALA A 104 10.055 -3.727 -7.477 1.00 0.17 O ATOM 1194 CB ALA A 104 13.143 -3.916 -6.421 1.00 0.22 C ATOM 0 H ALA A 104 13.515 -1.487 -6.511 1.00 0.19 H new ATOM 0 HA ALA A 104 12.393 -3.368 -8.345 1.00 0.20 H new ATOM 0 HB1 ALA A 104 12.732 -4.925 -6.461 1.00 0.22 H new ATOM 0 HB2 ALA A 104 14.179 -3.933 -6.760 1.00 0.22 H new ATOM 0 HB3 ALA A 104 13.103 -3.548 -5.396 1.00 0.22 H new ATOM 1200 N LEU A 105 10.539 -2.223 -5.858 1.00 0.12 N ATOM 1201 CA LEU A 105 9.162 -2.033 -5.421 1.00 0.09 C ATOM 1202 C LEU A 105 8.245 -1.716 -6.580 1.00 0.12 C ATOM 1203 O LEU A 105 7.137 -2.203 -6.670 1.00 0.13 O ATOM 1204 CB LEU A 105 9.082 -0.881 -4.416 1.00 0.09 C ATOM 1205 CG LEU A 105 7.686 -0.654 -3.864 1.00 0.11 C ATOM 1206 CD1 LEU A 105 7.237 -1.850 -3.050 1.00 0.11 C ATOM 1207 CD2 LEU A 105 7.626 0.601 -3.033 1.00 0.14 C ATOM 0 H LEU A 105 11.224 -1.709 -5.304 1.00 0.12 H new ATOM 0 HA LEU A 105 8.841 -2.967 -4.960 1.00 0.09 H new ATOM 0 HB2 LEU A 105 9.763 -1.083 -3.589 1.00 0.09 H new ATOM 0 HB3 LEU A 105 9.427 0.034 -4.897 1.00 0.09 H new ATOM 0 HG LEU A 105 7.007 -0.531 -4.708 1.00 0.11 H new ATOM 0 HD11 LEU A 105 6.234 -1.670 -2.662 1.00 0.11 H new ATOM 0 HD12 LEU A 105 7.228 -2.738 -3.682 1.00 0.11 H new ATOM 0 HD13 LEU A 105 7.926 -2.004 -2.219 1.00 0.11 H new ATOM 0 HD21 LEU A 105 6.614 0.737 -2.652 1.00 0.14 H new ATOM 0 HD22 LEU A 105 8.321 0.518 -2.197 1.00 0.14 H new ATOM 0 HD23 LEU A 105 7.900 1.458 -3.648 1.00 0.14 H new ATOM 1219 N CYS A 106 8.692 -0.819 -7.400 1.00 0.21 N ATOM 1220 CA CYS A 106 8.009 -0.491 -8.627 1.00 0.31 C ATOM 1221 C CYS A 106 8.059 -1.638 -9.634 1.00 0.34 C ATOM 1222 O CYS A 106 7.023 -2.063 -10.152 1.00 0.40 O ATOM 1223 CB CYS A 106 8.645 0.746 -9.220 1.00 0.39 C ATOM 1224 SG CYS A 106 7.891 1.304 -10.767 1.00 0.74 S ATOM 0 H CYS A 106 9.547 -0.285 -7.243 1.00 0.21 H new ATOM 0 HA CYS A 106 6.959 -0.309 -8.400 1.00 0.31 H new ATOM 0 HB2 CYS A 106 8.589 1.554 -8.490 1.00 0.39 H new ATOM 0 HB3 CYS A 106 9.702 0.548 -9.396 1.00 0.39 H new ATOM 0 HG CYS A 106 7.206 0.331 -11.292 1.00 0.74 H new ATOM 1230 N ALA A 107 9.268 -2.130 -9.906 1.00 0.33 N ATOM 1231 CA ALA A 107 9.501 -3.134 -10.943 1.00 0.41 C ATOM 1232 C ALA A 107 8.590 -4.356 -10.838 1.00 0.38 C ATOM 1233 O ALA A 107 8.246 -4.948 -11.861 1.00 0.46 O ATOM 1234 CB ALA A 107 10.957 -3.567 -10.915 1.00 0.47 C ATOM 0 H ALA A 107 10.114 -1.843 -9.413 1.00 0.33 H new ATOM 0 HA ALA A 107 9.259 -2.659 -11.894 1.00 0.41 H new ATOM 0 HB1 ALA A 107 11.129 -4.315 -11.689 1.00 0.47 H new ATOM 0 HB2 ALA A 107 11.597 -2.704 -11.097 1.00 0.47 H new ATOM 0 HB3 ALA A 107 11.191 -3.993 -9.939 1.00 0.47 H new ATOM 1240 N LEU A 108 8.192 -4.743 -9.631 1.00 0.29 N ATOM 1241 CA LEU A 108 7.320 -5.903 -9.478 1.00 0.26 C ATOM 1242 C LEU A 108 6.000 -5.725 -10.238 1.00 0.26 C ATOM 1243 O LEU A 108 5.513 -6.657 -10.875 1.00 0.28 O ATOM 1244 CB LEU A 108 7.076 -6.244 -7.989 1.00 0.21 C ATOM 1245 CG LEU A 108 6.851 -5.071 -7.022 1.00 0.18 C ATOM 1246 CD1 LEU A 108 5.502 -4.384 -7.248 1.00 0.21 C ATOM 1247 CD2 LEU A 108 6.975 -5.564 -5.589 1.00 0.19 C ATOM 0 H LEU A 108 8.453 -4.281 -8.760 1.00 0.29 H new ATOM 0 HA LEU A 108 7.838 -6.752 -9.923 1.00 0.26 H new ATOM 0 HB2 LEU A 108 6.207 -6.899 -7.932 1.00 0.21 H new ATOM 0 HB3 LEU A 108 7.931 -6.817 -7.630 1.00 0.21 H new ATOM 0 HG LEU A 108 7.618 -4.321 -7.216 1.00 0.18 H new ATOM 0 HD11 LEU A 108 5.389 -3.562 -6.541 1.00 0.21 H new ATOM 0 HD12 LEU A 108 5.457 -3.996 -8.266 1.00 0.21 H new ATOM 0 HD13 LEU A 108 4.697 -5.104 -7.098 1.00 0.21 H new ATOM 0 HD21 LEU A 108 6.815 -4.732 -4.903 1.00 0.19 H new ATOM 0 HD22 LEU A 108 6.228 -6.336 -5.404 1.00 0.19 H new ATOM 0 HD23 LEU A 108 7.971 -5.978 -5.432 1.00 0.19 H new ATOM 1259 N GLY A 109 5.450 -4.521 -10.210 1.00 0.27 N ATOM 1260 CA GLY A 109 4.162 -4.284 -10.829 1.00 0.32 C ATOM 1261 C GLY A 109 3.034 -4.871 -10.004 1.00 0.27 C ATOM 1262 O GLY A 109 3.283 -5.627 -9.063 1.00 0.23 O ATOM 0 H GLY A 109 5.872 -3.703 -9.770 1.00 0.27 H new ATOM 0 HA2 GLY A 109 4.007 -3.212 -10.949 1.00 0.32 H new ATOM 0 HA3 GLY A 109 4.150 -4.722 -11.827 1.00 0.32 H new ATOM 1266 N LYS A 110 1.802 -4.506 -10.341 1.00 0.33 N ATOM 1267 CA LYS A 110 0.628 -5.017 -9.634 1.00 0.36 C ATOM 1268 C LYS A 110 0.713 -6.532 -9.444 1.00 0.26 C ATOM 1269 O LYS A 110 0.672 -7.013 -8.314 1.00 0.30 O ATOM 1270 CB LYS A 110 -0.675 -4.609 -10.373 1.00 0.56 C ATOM 1271 CG LYS A 110 -1.640 -5.758 -10.692 1.00 0.63 C ATOM 1272 CD LYS A 110 -2.317 -6.327 -9.457 1.00 0.42 C ATOM 1273 CE LYS A 110 -2.656 -7.809 -9.641 1.00 0.39 C ATOM 1274 NZ LYS A 110 -3.778 -8.015 -10.592 1.00 0.67 N ATOM 0 H LYS A 110 1.588 -3.858 -11.099 1.00 0.33 H new ATOM 0 HA LYS A 110 0.605 -4.567 -8.641 1.00 0.36 H new ATOM 0 HB2 LYS A 110 -1.202 -3.873 -9.765 1.00 0.56 H new ATOM 0 HB3 LYS A 110 -0.404 -4.116 -11.306 1.00 0.56 H new ATOM 0 HG2 LYS A 110 -2.402 -5.403 -11.386 1.00 0.63 H new ATOM 0 HG3 LYS A 110 -1.094 -6.553 -11.199 1.00 0.63 H new ATOM 0 HD2 LYS A 110 -1.663 -6.206 -8.593 1.00 0.42 H new ATOM 0 HD3 LYS A 110 -3.228 -5.766 -9.248 1.00 0.42 H new ATOM 0 HE2 LYS A 110 -1.775 -8.339 -10.002 1.00 0.39 H new ATOM 0 HE3 LYS A 110 -2.916 -8.243 -8.676 1.00 0.39 H new ATOM 0 HZ1 LYS A 110 -3.972 -9.033 -10.685 1.00 0.67 H new ATOM 0 HZ2 LYS A 110 -4.628 -7.532 -10.237 1.00 0.67 H new ATOM 0 HZ3 LYS A 110 -3.521 -7.625 -11.521 1.00 0.67 H new ATOM 1288 N GLU A 111 0.844 -7.273 -10.541 1.00 0.25 N ATOM 1289 CA GLU A 111 0.774 -8.728 -10.494 1.00 0.31 C ATOM 1290 C GLU A 111 1.773 -9.302 -9.496 1.00 0.27 C ATOM 1291 O GLU A 111 1.384 -9.963 -8.538 1.00 0.39 O ATOM 1292 CB GLU A 111 1.009 -9.318 -11.884 1.00 0.48 C ATOM 1293 CG GLU A 111 0.504 -10.744 -12.030 1.00 1.39 C ATOM 1294 CD GLU A 111 -0.994 -10.852 -11.802 1.00 1.95 C ATOM 1295 OE1 GLU A 111 -1.767 -10.527 -12.728 1.00 2.46 O ATOM 1296 OE2 GLU A 111 -1.410 -11.265 -10.700 1.00 2.54 O ATOM 0 H GLU A 111 0.999 -6.888 -11.473 1.00 0.25 H new ATOM 0 HA GLU A 111 -0.226 -9.003 -10.159 1.00 0.31 H new ATOM 0 HB2 GLU A 111 0.516 -8.689 -12.625 1.00 0.48 H new ATOM 0 HB3 GLU A 111 2.076 -9.294 -12.104 1.00 0.48 H new ATOM 0 HG2 GLU A 111 0.745 -11.112 -13.027 1.00 1.39 H new ATOM 0 HG3 GLU A 111 1.025 -11.386 -11.319 1.00 1.39 H new ATOM 1303 N CYS A 112 3.047 -9.010 -9.707 1.00 0.21 N ATOM 1304 CA CYS A 112 4.106 -9.570 -8.882 1.00 0.18 C ATOM 1305 C CYS A 112 3.940 -9.171 -7.421 1.00 0.15 C ATOM 1306 O CYS A 112 4.138 -9.995 -6.542 1.00 0.17 O ATOM 1307 CB CYS A 112 5.480 -9.152 -9.406 1.00 0.21 C ATOM 1308 SG CYS A 112 6.876 -9.885 -8.523 1.00 1.36 S ATOM 0 H CYS A 112 3.373 -8.386 -10.445 1.00 0.21 H new ATOM 0 HA CYS A 112 4.033 -10.656 -8.940 1.00 0.18 H new ATOM 0 HB2 CYS A 112 5.551 -9.423 -10.459 1.00 0.21 H new ATOM 0 HB3 CYS A 112 5.561 -8.066 -9.350 1.00 0.21 H new ATOM 0 HG CYS A 112 7.989 -9.467 -9.048 1.00 1.36 H new ATOM 1314 N PHE A 113 3.587 -7.913 -7.156 1.00 0.13 N ATOM 1315 CA PHE A 113 3.325 -7.476 -5.788 1.00 0.12 C ATOM 1316 C PHE A 113 2.259 -8.350 -5.115 1.00 0.13 C ATOM 1317 O PHE A 113 2.418 -8.783 -3.977 1.00 0.14 O ATOM 1318 CB PHE A 113 2.890 -6.004 -5.752 1.00 0.12 C ATOM 1319 CG PHE A 113 3.164 -5.349 -4.427 1.00 0.10 C ATOM 1320 CD1 PHE A 113 2.407 -5.650 -3.298 1.00 0.11 C ATOM 1321 CD2 PHE A 113 4.162 -4.403 -4.320 1.00 0.11 C ATOM 1322 CE1 PHE A 113 2.654 -5.015 -2.102 1.00 0.12 C ATOM 1323 CE2 PHE A 113 4.404 -3.763 -3.128 1.00 0.13 C ATOM 1324 CZ PHE A 113 3.686 -4.217 -1.952 1.00 0.10 C ATOM 0 H PHE A 113 3.477 -7.187 -7.864 1.00 0.13 H new ATOM 0 HA PHE A 113 4.258 -7.581 -5.233 1.00 0.12 H new ATOM 0 HB2 PHE A 113 3.411 -5.456 -6.538 1.00 0.12 H new ATOM 0 HB3 PHE A 113 1.824 -5.939 -5.971 1.00 0.12 H new ATOM 0 HD1 PHE A 113 1.620 -6.387 -3.361 1.00 0.11 H new ATOM 0 HD2 PHE A 113 4.762 -4.162 -5.185 1.00 0.11 H new ATOM 0 HE1 PHE A 113 1.985 -5.176 -1.270 1.00 0.12 H new ATOM 0 HE2 PHE A 113 5.108 -2.946 -3.069 1.00 0.13 H new ATOM 0 HZ PHE A 113 3.996 -3.903 -0.966 1.00 0.10 H new ATOM 1334 N LEU A 114 1.165 -8.615 -5.800 1.00 0.14 N ATOM 1335 CA LEU A 114 0.092 -9.382 -5.175 1.00 0.17 C ATOM 1336 C LEU A 114 0.449 -10.856 -5.171 1.00 0.22 C ATOM 1337 O LEU A 114 -0.122 -11.650 -4.428 1.00 0.27 O ATOM 1338 CB LEU A 114 -1.256 -9.162 -5.852 1.00 0.19 C ATOM 1339 CG LEU A 114 -1.514 -7.763 -6.412 1.00 0.24 C ATOM 1340 CD1 LEU A 114 -3.001 -7.504 -6.491 1.00 0.54 C ATOM 1341 CD2 LEU A 114 -0.862 -6.669 -5.598 1.00 0.50 C ATOM 0 H LEU A 114 0.992 -8.323 -6.762 1.00 0.14 H new ATOM 0 HA LEU A 114 -0.010 -9.026 -4.150 1.00 0.17 H new ATOM 0 HB2 LEU A 114 -1.350 -9.879 -6.667 1.00 0.19 H new ATOM 0 HB3 LEU A 114 -2.042 -9.392 -5.132 1.00 0.19 H new ATOM 0 HG LEU A 114 -1.067 -7.740 -7.406 1.00 0.24 H new ATOM 0 HD11 LEU A 114 -3.176 -6.505 -6.891 1.00 0.54 H new ATOM 0 HD12 LEU A 114 -3.465 -8.243 -7.145 1.00 0.54 H new ATOM 0 HD13 LEU A 114 -3.436 -7.577 -5.494 1.00 0.54 H new ATOM 0 HD21 LEU A 114 -1.083 -5.701 -6.047 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -1.249 -6.693 -4.579 1.00 0.50 H new ATOM 0 HD23 LEU A 114 0.217 -6.823 -5.580 1.00 0.50 H new ATOM 1353 N GLU A 115 1.390 -11.215 -6.031 1.00 0.22 N ATOM 1354 CA GLU A 115 1.989 -12.534 -6.001 1.00 0.28 C ATOM 1355 C GLU A 115 3.004 -12.599 -4.861 1.00 0.27 C ATOM 1356 O GLU A 115 3.427 -13.671 -4.427 1.00 0.37 O ATOM 1357 CB GLU A 115 2.705 -12.825 -7.319 1.00 0.37 C ATOM 1358 CG GLU A 115 1.782 -12.931 -8.519 1.00 0.48 C ATOM 1359 CD GLU A 115 1.042 -14.246 -8.575 1.00 1.33 C ATOM 1360 OE1 GLU A 115 -0.022 -14.362 -7.937 1.00 1.81 O ATOM 1361 OE2 GLU A 115 1.526 -15.174 -9.262 1.00 2.21 O ATOM 0 H GLU A 115 1.755 -10.604 -6.762 1.00 0.22 H new ATOM 0 HA GLU A 115 1.203 -13.274 -5.851 1.00 0.28 H new ATOM 0 HB2 GLU A 115 3.435 -12.037 -7.505 1.00 0.37 H new ATOM 0 HB3 GLU A 115 3.261 -13.757 -7.219 1.00 0.37 H new ATOM 0 HG2 GLU A 115 1.060 -12.115 -8.490 1.00 0.48 H new ATOM 0 HG3 GLU A 115 2.365 -12.808 -9.432 1.00 0.48 H new ATOM 1368 N LEU A 116 3.382 -11.416 -4.399 1.00 0.20 N ATOM 1369 CA LEU A 116 4.446 -11.229 -3.422 1.00 0.19 C ATOM 1370 C LEU A 116 3.911 -11.265 -1.991 1.00 0.22 C ATOM 1371 O LEU A 116 4.624 -11.617 -1.050 1.00 0.26 O ATOM 1372 CB LEU A 116 5.143 -9.899 -3.742 1.00 0.15 C ATOM 1373 CG LEU A 116 5.636 -9.062 -2.564 1.00 0.13 C ATOM 1374 CD1 LEU A 116 6.974 -8.442 -2.895 1.00 0.20 C ATOM 1375 CD2 LEU A 116 4.641 -7.972 -2.235 1.00 0.16 C ATOM 0 H LEU A 116 2.950 -10.542 -4.698 1.00 0.20 H new ATOM 0 HA LEU A 116 5.163 -12.047 -3.488 1.00 0.19 H new ATOM 0 HB2 LEU A 116 5.997 -10.113 -4.384 1.00 0.15 H new ATOM 0 HB3 LEU A 116 4.452 -9.288 -4.323 1.00 0.15 H new ATOM 0 HG LEU A 116 5.743 -9.715 -1.698 1.00 0.13 H new ATOM 0 HD11 LEU A 116 7.318 -7.847 -2.049 1.00 0.20 H new ATOM 0 HD12 LEU A 116 7.698 -9.229 -3.103 1.00 0.20 H new ATOM 0 HD13 LEU A 116 6.872 -7.802 -3.771 1.00 0.20 H new ATOM 0 HD21 LEU A 116 5.009 -7.386 -1.393 1.00 0.16 H new ATOM 0 HD22 LEU A 116 4.513 -7.323 -3.101 1.00 0.16 H new ATOM 0 HD23 LEU A 116 3.683 -8.421 -1.973 1.00 0.16 H new ATOM 1387 N ALA A 117 2.655 -10.899 -1.836 1.00 0.21 N ATOM 1388 CA ALA A 117 1.992 -10.949 -0.542 1.00 0.22 C ATOM 1389 C ALA A 117 0.666 -11.674 -0.680 1.00 0.23 C ATOM 1390 O ALA A 117 0.361 -12.179 -1.761 1.00 0.26 O ATOM 1391 CB ALA A 117 1.770 -9.536 -0.021 1.00 0.22 C ATOM 0 H ALA A 117 2.065 -10.560 -2.596 1.00 0.21 H new ATOM 0 HA ALA A 117 2.619 -11.488 0.168 1.00 0.22 H new ATOM 0 HB1 ALA A 117 1.273 -9.579 0.948 1.00 0.22 H new ATOM 0 HB2 ALA A 117 2.731 -9.033 0.086 1.00 0.22 H new ATOM 0 HB3 ALA A 117 1.147 -8.983 -0.724 1.00 0.22 H new ATOM 1397 N PRO A 118 -0.128 -11.797 0.400 1.00 0.24 N ATOM 1398 CA PRO A 118 -1.538 -12.137 0.256 1.00 0.25 C ATOM 1399 C PRO A 118 -2.167 -11.196 -0.766 1.00 0.22 C ATOM 1400 O PRO A 118 -1.968 -9.984 -0.704 1.00 0.18 O ATOM 1401 CB PRO A 118 -2.104 -11.895 1.655 1.00 0.28 C ATOM 1402 CG PRO A 118 -0.947 -12.103 2.575 1.00 0.32 C ATOM 1403 CD PRO A 118 0.280 -11.678 1.815 1.00 0.29 C ATOM 0 HA PRO A 118 -1.724 -13.154 -0.091 1.00 0.25 H new ATOM 0 HB2 PRO A 118 -2.508 -10.887 1.749 1.00 0.28 H new ATOM 0 HB3 PRO A 118 -2.916 -12.587 1.878 1.00 0.28 H new ATOM 0 HG2 PRO A 118 -1.064 -11.515 3.485 1.00 0.32 H new ATOM 0 HG3 PRO A 118 -0.874 -13.148 2.878 1.00 0.32 H new ATOM 0 HD2 PRO A 118 0.572 -10.658 2.063 1.00 0.29 H new ATOM 0 HD3 PRO A 118 1.133 -12.318 2.041 1.00 0.29 H new ATOM 1411 N ASP A 119 -2.895 -11.764 -1.717 1.00 0.28 N ATOM 1412 CA ASP A 119 -3.317 -11.034 -2.915 1.00 0.32 C ATOM 1413 C ASP A 119 -4.012 -9.702 -2.626 1.00 0.31 C ATOM 1414 O ASP A 119 -3.907 -8.777 -3.431 1.00 0.41 O ATOM 1415 CB ASP A 119 -4.195 -11.903 -3.823 1.00 0.41 C ATOM 1416 CG ASP A 119 -5.554 -12.245 -3.235 1.00 0.81 C ATOM 1417 OD1 ASP A 119 -5.667 -13.293 -2.560 1.00 0.95 O ATOM 1418 OD2 ASP A 119 -6.522 -11.494 -3.476 1.00 1.26 O ATOM 0 H ASP A 119 -3.210 -12.734 -1.686 1.00 0.28 H new ATOM 0 HA ASP A 119 -2.390 -10.790 -3.435 1.00 0.32 H new ATOM 0 HB2 ASP A 119 -4.342 -11.385 -4.771 1.00 0.41 H new ATOM 0 HB3 ASP A 119 -3.664 -12.829 -4.044 1.00 0.41 H new ATOM 1423 N PHE A 120 -4.695 -9.566 -1.492 1.00 0.27 N ATOM 1424 CA PHE A 120 -5.382 -8.315 -1.235 1.00 0.32 C ATOM 1425 C PHE A 120 -4.514 -7.376 -0.438 1.00 0.22 C ATOM 1426 O PHE A 120 -4.680 -6.165 -0.491 1.00 0.22 O ATOM 1427 CB PHE A 120 -6.756 -8.489 -0.605 1.00 0.46 C ATOM 1428 CG PHE A 120 -7.789 -7.787 -1.434 1.00 0.90 C ATOM 1429 CD1 PHE A 120 -8.030 -6.435 -1.260 1.00 1.53 C ATOM 1430 CD2 PHE A 120 -8.556 -8.489 -2.352 1.00 1.04 C ATOM 1431 CE1 PHE A 120 -9.009 -5.793 -1.992 1.00 1.97 C ATOM 1432 CE2 PHE A 120 -9.539 -7.853 -3.081 1.00 1.45 C ATOM 1433 CZ PHE A 120 -9.639 -6.473 -3.032 1.00 1.86 C ATOM 0 H PHE A 120 -4.784 -10.278 -0.767 1.00 0.27 H new ATOM 0 HA PHE A 120 -5.569 -7.865 -2.210 1.00 0.32 H new ATOM 0 HB2 PHE A 120 -6.998 -9.549 -0.527 1.00 0.46 H new ATOM 0 HB3 PHE A 120 -6.755 -8.087 0.408 1.00 0.46 H new ATOM 0 HD1 PHE A 120 -7.446 -5.876 -0.544 1.00 1.53 H new ATOM 0 HD2 PHE A 120 -8.382 -9.545 -2.497 1.00 1.04 H new ATOM 0 HE1 PHE A 120 -9.283 -4.774 -1.761 1.00 1.97 H new ATOM 0 HE2 PHE A 120 -10.226 -8.427 -3.686 1.00 1.45 H new ATOM 0 HZ PHE A 120 -10.195 -5.934 -3.785 1.00 1.86 H new ATOM 1443 N VAL A 121 -3.577 -7.943 0.287 1.00 0.19 N ATOM 1444 CA VAL A 121 -2.609 -7.173 1.028 1.00 0.17 C ATOM 1445 C VAL A 121 -1.605 -6.585 0.073 1.00 0.15 C ATOM 1446 O VAL A 121 -1.143 -5.458 0.247 1.00 0.14 O ATOM 1447 CB VAL A 121 -1.904 -8.060 2.048 1.00 0.18 C ATOM 1448 CG1 VAL A 121 -0.849 -7.283 2.815 1.00 0.19 C ATOM 1449 CG2 VAL A 121 -2.953 -8.642 2.961 1.00 0.22 C ATOM 0 H VAL A 121 -3.466 -8.953 0.379 1.00 0.19 H new ATOM 0 HA VAL A 121 -3.117 -6.369 1.560 1.00 0.17 H new ATOM 0 HB VAL A 121 -1.375 -8.868 1.543 1.00 0.18 H new ATOM 0 HG11 VAL A 121 -0.363 -7.942 3.535 1.00 0.19 H new ATOM 0 HG12 VAL A 121 -0.105 -6.895 2.119 1.00 0.19 H new ATOM 0 HG13 VAL A 121 -1.320 -6.453 3.343 1.00 0.19 H new ATOM 0 HG21 VAL A 121 -2.475 -9.282 3.702 1.00 0.22 H new ATOM 0 HG22 VAL A 121 -3.484 -7.835 3.466 1.00 0.22 H new ATOM 0 HG23 VAL A 121 -3.660 -9.230 2.375 1.00 0.22 H new ATOM 1459 N GLY A 122 -1.277 -7.367 -0.944 1.00 0.17 N ATOM 1460 CA GLY A 122 -0.485 -6.866 -2.024 1.00 0.19 C ATOM 1461 C GLY A 122 -1.161 -5.694 -2.689 1.00 0.16 C ATOM 1462 O GLY A 122 -0.515 -4.712 -2.979 1.00 0.14 O ATOM 0 H GLY A 122 -1.552 -8.345 -1.032 1.00 0.17 H new ATOM 0 HA2 GLY A 122 0.494 -6.563 -1.652 1.00 0.19 H new ATOM 0 HA3 GLY A 122 -0.318 -7.657 -2.755 1.00 0.19 H new ATOM 1466 N ASP A 123 -2.474 -5.794 -2.911 1.00 0.18 N ATOM 1467 CA ASP A 123 -3.227 -4.740 -3.590 1.00 0.19 C ATOM 1468 C ASP A 123 -3.452 -3.566 -2.651 1.00 0.13 C ATOM 1469 O ASP A 123 -3.436 -2.420 -3.070 1.00 0.13 O ATOM 1470 CB ASP A 123 -4.568 -5.279 -4.110 1.00 0.30 C ATOM 1471 CG ASP A 123 -5.440 -4.210 -4.748 1.00 0.57 C ATOM 1472 OD1 ASP A 123 -5.189 -3.851 -5.923 1.00 0.68 O ATOM 1473 OD2 ASP A 123 -6.399 -3.744 -4.097 1.00 1.07 O ATOM 0 H ASP A 123 -3.037 -6.596 -2.629 1.00 0.18 H new ATOM 0 HA ASP A 123 -2.645 -4.396 -4.445 1.00 0.19 H new ATOM 0 HB2 ASP A 123 -4.377 -6.065 -4.840 1.00 0.30 H new ATOM 0 HB3 ASP A 123 -5.112 -5.737 -3.284 1.00 0.30 H new ATOM 1478 N ILE A 124 -3.676 -3.868 -1.379 1.00 0.12 N ATOM 1479 CA ILE A 124 -3.700 -2.850 -0.338 1.00 0.10 C ATOM 1480 C ILE A 124 -2.416 -2.032 -0.363 1.00 0.09 C ATOM 1481 O ILE A 124 -2.438 -0.812 -0.564 1.00 0.10 O ATOM 1482 CB ILE A 124 -3.925 -3.488 1.058 1.00 0.14 C ATOM 1483 CG1 ILE A 124 -5.423 -3.692 1.295 1.00 0.20 C ATOM 1484 CG2 ILE A 124 -3.317 -2.637 2.171 1.00 0.16 C ATOM 1485 CD1 ILE A 124 -5.749 -4.347 2.620 1.00 0.22 C ATOM 0 H ILE A 124 -3.845 -4.816 -1.042 1.00 0.12 H new ATOM 0 HA ILE A 124 -4.536 -2.179 -0.535 1.00 0.10 H new ATOM 0 HB ILE A 124 -3.421 -4.454 1.077 1.00 0.14 H new ATOM 0 HG12 ILE A 124 -5.924 -2.725 1.245 1.00 0.20 H new ATOM 0 HG13 ILE A 124 -5.829 -4.303 0.489 1.00 0.20 H new ATOM 0 HG21 ILE A 124 -3.495 -3.116 3.134 1.00 0.16 H new ATOM 0 HG22 ILE A 124 -2.244 -2.537 2.008 1.00 0.16 H new ATOM 0 HG23 ILE A 124 -3.778 -1.649 2.167 1.00 0.16 H new ATOM 0 HD11 ILE A 124 -6.829 -4.458 2.715 1.00 0.22 H new ATOM 0 HD12 ILE A 124 -5.278 -5.329 2.666 1.00 0.22 H new ATOM 0 HD13 ILE A 124 -5.375 -3.727 3.434 1.00 0.22 H new ATOM 1497 N LEU A 125 -1.299 -2.703 -0.174 1.00 0.08 N ATOM 1498 CA LEU A 125 -0.016 -2.065 -0.295 1.00 0.08 C ATOM 1499 C LEU A 125 0.172 -1.468 -1.676 1.00 0.09 C ATOM 1500 O LEU A 125 0.646 -0.352 -1.801 1.00 0.10 O ATOM 1501 CB LEU A 125 1.079 -3.061 0.035 1.00 0.08 C ATOM 1502 CG LEU A 125 1.494 -3.037 1.492 1.00 0.08 C ATOM 1503 CD1 LEU A 125 2.370 -4.225 1.823 1.00 0.09 C ATOM 1504 CD2 LEU A 125 2.219 -1.739 1.785 1.00 0.09 C ATOM 0 H LEU A 125 -1.260 -3.694 0.065 1.00 0.08 H new ATOM 0 HA LEU A 125 0.038 -1.240 0.416 1.00 0.08 H new ATOM 0 HB2 LEU A 125 0.737 -4.064 -0.221 1.00 0.08 H new ATOM 0 HB3 LEU A 125 1.950 -2.852 -0.587 1.00 0.08 H new ATOM 0 HG LEU A 125 0.603 -3.100 2.117 1.00 0.08 H new ATOM 0 HD11 LEU A 125 2.655 -4.185 2.874 1.00 0.09 H new ATOM 0 HD12 LEU A 125 1.821 -5.147 1.630 1.00 0.09 H new ATOM 0 HD13 LEU A 125 3.266 -4.200 1.203 1.00 0.09 H new ATOM 0 HD21 LEU A 125 2.519 -1.718 2.833 1.00 0.09 H new ATOM 0 HD22 LEU A 125 3.104 -1.666 1.153 1.00 0.09 H new ATOM 0 HD23 LEU A 125 1.556 -0.898 1.581 1.00 0.09 H new ATOM 1516 N TRP A 126 -0.253 -2.187 -2.701 1.00 0.09 N ATOM 1517 CA TRP A 126 -0.125 -1.713 -4.070 1.00 0.10 C ATOM 1518 C TRP A 126 -0.902 -0.416 -4.276 1.00 0.11 C ATOM 1519 O TRP A 126 -0.445 0.467 -4.996 1.00 0.14 O ATOM 1520 CB TRP A 126 -0.585 -2.772 -5.081 1.00 0.11 C ATOM 1521 CG TRP A 126 -0.650 -2.236 -6.471 1.00 0.15 C ATOM 1522 CD1 TRP A 126 -1.774 -1.918 -7.165 1.00 0.22 C ATOM 1523 CD2 TRP A 126 0.457 -1.920 -7.319 1.00 0.16 C ATOM 1524 NE1 TRP A 126 -1.434 -1.401 -8.396 1.00 0.25 N ATOM 1525 CE2 TRP A 126 -0.067 -1.394 -8.510 1.00 0.21 C ATOM 1526 CE3 TRP A 126 1.841 -2.021 -7.178 1.00 0.17 C ATOM 1527 CZ2 TRP A 126 0.749 -0.975 -9.558 1.00 0.25 C ATOM 1528 CZ3 TRP A 126 2.650 -1.608 -8.218 1.00 0.22 C ATOM 1529 CH2 TRP A 126 2.101 -1.084 -9.394 1.00 0.25 C ATOM 0 H TRP A 126 -0.691 -3.104 -2.611 1.00 0.09 H new ATOM 0 HA TRP A 126 0.933 -1.517 -4.244 1.00 0.10 H new ATOM 0 HB2 TRP A 126 0.099 -3.620 -5.052 1.00 0.11 H new ATOM 0 HB3 TRP A 126 -1.567 -3.145 -4.791 1.00 0.11 H new ATOM 0 HD1 TRP A 126 -2.784 -2.051 -6.805 1.00 0.22 H new ATOM 0 HE1 TRP A 126 -2.091 -1.077 -9.106 1.00 0.25 H new ATOM 0 HE3 TRP A 126 2.273 -2.416 -6.270 1.00 0.17 H new ATOM 0 HZ2 TRP A 126 0.327 -0.577 -10.469 1.00 0.25 H new ATOM 0 HZ3 TRP A 126 3.723 -1.691 -8.123 1.00 0.22 H new ATOM 0 HH2 TRP A 126 2.759 -0.760 -10.187 1.00 0.25 H new ATOM 1540 N GLU A 127 -2.071 -0.295 -3.657 1.00 0.11 N ATOM 1541 CA GLU A 127 -2.815 0.952 -3.716 1.00 0.12 C ATOM 1542 C GLU A 127 -1.979 2.073 -3.172 1.00 0.12 C ATOM 1543 O GLU A 127 -1.717 3.027 -3.878 1.00 0.14 O ATOM 1544 CB GLU A 127 -4.132 0.890 -2.958 1.00 0.14 C ATOM 1545 CG GLU A 127 -5.339 0.880 -3.878 1.00 0.21 C ATOM 1546 CD GLU A 127 -5.431 2.105 -4.768 1.00 0.75 C ATOM 1547 OE1 GLU A 127 -4.804 2.110 -5.847 1.00 0.84 O ATOM 1548 OE2 GLU A 127 -6.109 3.081 -4.382 1.00 1.43 O ATOM 0 H GLU A 127 -2.517 -1.036 -3.116 1.00 0.11 H new ATOM 0 HA GLU A 127 -3.051 1.129 -4.765 1.00 0.12 H new ATOM 0 HB2 GLU A 127 -4.147 -0.005 -2.337 1.00 0.14 H new ATOM 0 HB3 GLU A 127 -4.200 1.745 -2.286 1.00 0.14 H new ATOM 0 HG2 GLU A 127 -5.302 -0.012 -4.503 1.00 0.21 H new ATOM 0 HG3 GLU A 127 -6.245 0.809 -3.276 1.00 0.21 H new ATOM 1555 N HIS A 128 -1.538 1.968 -1.928 1.00 0.11 N ATOM 1556 CA HIS A 128 -0.695 3.021 -1.385 1.00 0.11 C ATOM 1557 C HIS A 128 0.572 3.145 -2.205 1.00 0.10 C ATOM 1558 O HIS A 128 1.062 4.246 -2.376 1.00 0.11 O ATOM 1559 CB HIS A 128 -0.358 2.814 0.093 1.00 0.11 C ATOM 1560 CG HIS A 128 0.185 4.061 0.745 1.00 0.12 C ATOM 1561 ND1 HIS A 128 0.646 4.101 2.044 1.00 0.14 N ATOM 1562 CD2 HIS A 128 0.316 5.328 0.266 1.00 0.14 C ATOM 1563 CE1 HIS A 128 1.031 5.333 2.338 1.00 0.15 C ATOM 1564 NE2 HIS A 128 0.843 6.093 1.278 1.00 0.15 N ATOM 0 H HIS A 128 -1.740 1.194 -1.295 1.00 0.11 H new ATOM 0 HA HIS A 128 -1.264 3.949 -1.446 1.00 0.11 H new ATOM 0 HB2 HIS A 128 -1.253 2.491 0.624 1.00 0.11 H new ATOM 0 HB3 HIS A 128 0.374 2.012 0.186 1.00 0.11 H new ATOM 0 HD2 HIS A 128 0.054 5.669 -0.725 1.00 0.14 H new ATOM 0 HE1 HIS A 128 1.431 5.660 3.286 1.00 0.15 H new ATOM 0 HE2 HIS A 128 1.055 7.089 1.219 1.00 0.15 H new ATOM 1573 N LEU A 129 1.089 2.034 -2.717 1.00 0.10 N ATOM 1574 CA LEU A 129 2.212 2.071 -3.636 1.00 0.12 C ATOM 1575 C LEU A 129 1.895 3.017 -4.761 1.00 0.15 C ATOM 1576 O LEU A 129 2.671 3.922 -5.076 1.00 0.18 O ATOM 1577 CB LEU A 129 2.505 0.664 -4.188 1.00 0.11 C ATOM 1578 CG LEU A 129 3.676 0.553 -5.165 1.00 0.12 C ATOM 1579 CD1 LEU A 129 4.752 1.554 -4.816 1.00 0.15 C ATOM 1580 CD2 LEU A 129 4.264 -0.843 -5.111 1.00 0.13 C ATOM 0 H LEU A 129 0.745 1.097 -2.509 1.00 0.10 H new ATOM 0 HA LEU A 129 3.100 2.418 -3.107 1.00 0.12 H new ATOM 0 HB2 LEU A 129 2.697 -0.001 -3.346 1.00 0.11 H new ATOM 0 HB3 LEU A 129 1.607 0.297 -4.686 1.00 0.11 H new ATOM 0 HG LEU A 129 3.305 0.759 -6.169 1.00 0.12 H new ATOM 0 HD11 LEU A 129 5.578 1.461 -5.521 1.00 0.15 H new ATOM 0 HD12 LEU A 129 4.342 2.562 -4.868 1.00 0.15 H new ATOM 0 HD13 LEU A 129 5.114 1.362 -3.806 1.00 0.15 H new ATOM 0 HD21 LEU A 129 5.098 -0.914 -5.810 1.00 0.13 H new ATOM 0 HD22 LEU A 129 4.618 -1.050 -4.101 1.00 0.13 H new ATOM 0 HD23 LEU A 129 3.499 -1.571 -5.383 1.00 0.13 H new ATOM 1592 N GLU A 130 0.734 2.822 -5.334 1.00 0.17 N ATOM 1593 CA GLU A 130 0.293 3.645 -6.414 1.00 0.23 C ATOM 1594 C GLU A 130 0.035 5.058 -5.915 1.00 0.25 C ATOM 1595 O GLU A 130 0.464 6.021 -6.529 1.00 0.37 O ATOM 1596 CB GLU A 130 -0.959 3.043 -7.059 1.00 0.27 C ATOM 1597 CG GLU A 130 -1.073 3.328 -8.545 1.00 0.69 C ATOM 1598 CD GLU A 130 -2.344 2.767 -9.143 1.00 1.22 C ATOM 1599 OE1 GLU A 130 -2.415 1.538 -9.341 1.00 1.80 O ATOM 1600 OE2 GLU A 130 -3.281 3.546 -9.411 1.00 1.73 O ATOM 0 H GLU A 130 0.077 2.091 -5.062 1.00 0.17 H new ATOM 0 HA GLU A 130 1.071 3.691 -7.176 1.00 0.23 H new ATOM 0 HB2 GLU A 130 -0.955 1.964 -6.904 1.00 0.27 H new ATOM 0 HB3 GLU A 130 -1.842 3.434 -6.554 1.00 0.27 H new ATOM 0 HG2 GLU A 130 -1.042 4.405 -8.709 1.00 0.69 H new ATOM 0 HG3 GLU A 130 -0.213 2.902 -9.061 1.00 0.69 H new ATOM 1607 N ILE A 131 -0.648 5.159 -4.781 1.00 0.20 N ATOM 1608 CA ILE A 131 -0.967 6.437 -4.144 1.00 0.21 C ATOM 1609 C ILE A 131 0.286 7.301 -3.960 1.00 0.22 C ATOM 1610 O ILE A 131 0.238 8.518 -4.149 1.00 0.27 O ATOM 1611 CB ILE A 131 -1.660 6.209 -2.777 1.00 0.21 C ATOM 1612 CG1 ILE A 131 -3.183 6.063 -2.917 1.00 0.23 C ATOM 1613 CG2 ILE A 131 -1.371 7.358 -1.824 1.00 0.23 C ATOM 1614 CD1 ILE A 131 -3.651 5.159 -4.031 1.00 0.23 C ATOM 0 H ILE A 131 -1.001 4.350 -4.270 1.00 0.20 H new ATOM 0 HA ILE A 131 -1.652 6.969 -4.804 1.00 0.21 H new ATOM 0 HB ILE A 131 -1.253 5.280 -2.378 1.00 0.21 H new ATOM 0 HG12 ILE A 131 -3.582 5.686 -1.975 1.00 0.23 H new ATOM 0 HG13 ILE A 131 -3.612 7.053 -3.072 1.00 0.23 H new ATOM 0 HG21 ILE A 131 -1.868 7.175 -0.872 1.00 0.23 H new ATOM 0 HG22 ILE A 131 -0.296 7.435 -1.663 1.00 0.23 H new ATOM 0 HG23 ILE A 131 -1.741 8.289 -2.253 1.00 0.23 H new ATOM 0 HD11 ILE A 131 -4.740 5.127 -4.040 1.00 0.23 H new ATOM 0 HD12 ILE A 131 -3.291 5.542 -4.986 1.00 0.23 H new ATOM 0 HD13 ILE A 131 -3.260 4.154 -3.872 1.00 0.23 H new ATOM 1626 N LEU A 132 1.403 6.664 -3.591 1.00 0.18 N ATOM 1627 CA LEU A 132 2.684 7.366 -3.457 1.00 0.20 C ATOM 1628 C LEU A 132 2.999 8.098 -4.745 1.00 0.25 C ATOM 1629 O LEU A 132 3.548 9.200 -4.752 1.00 0.29 O ATOM 1630 CB LEU A 132 3.825 6.391 -3.171 1.00 0.21 C ATOM 1631 CG LEU A 132 3.548 5.367 -2.085 1.00 0.21 C ATOM 1632 CD1 LEU A 132 4.414 4.143 -2.310 1.00 0.23 C ATOM 1633 CD2 LEU A 132 3.804 5.936 -0.691 1.00 0.25 C ATOM 0 H LEU A 132 1.446 5.667 -3.380 1.00 0.18 H new ATOM 0 HA LEU A 132 2.594 8.064 -2.625 1.00 0.20 H new ATOM 0 HB2 LEU A 132 4.068 5.862 -4.092 1.00 0.21 H new ATOM 0 HB3 LEU A 132 4.709 6.964 -2.890 1.00 0.21 H new ATOM 0 HG LEU A 132 2.495 5.093 -2.141 1.00 0.21 H new ATOM 0 HD11 LEU A 132 4.215 3.408 -1.530 1.00 0.23 H new ATOM 0 HD12 LEU A 132 4.186 3.710 -3.284 1.00 0.23 H new ATOM 0 HD13 LEU A 132 5.465 4.430 -2.278 1.00 0.23 H new ATOM 0 HD21 LEU A 132 3.594 5.172 0.058 1.00 0.25 H new ATOM 0 HD22 LEU A 132 4.846 6.247 -0.611 1.00 0.25 H new ATOM 0 HD23 LEU A 132 3.155 6.796 -0.524 1.00 0.25 H new ATOM 1645 N GLN A 133 2.618 7.463 -5.833 1.00 0.28 N ATOM 1646 CA GLN A 133 2.843 7.994 -7.153 1.00 0.38 C ATOM 1647 C GLN A 133 1.791 9.035 -7.458 1.00 0.37 C ATOM 1648 O GLN A 133 2.122 10.092 -7.966 1.00 0.47 O ATOM 1649 CB GLN A 133 2.810 6.877 -8.188 1.00 0.58 C ATOM 1650 CG GLN A 133 3.616 5.673 -7.753 1.00 0.79 C ATOM 1651 CD GLN A 133 3.176 4.397 -8.424 1.00 0.65 C ATOM 1652 OE1 GLN A 133 2.812 4.379 -9.600 1.00 1.22 O ATOM 1653 NE2 GLN A 133 3.144 3.335 -7.646 1.00 0.31 N ATOM 0 H GLN A 133 2.142 6.561 -5.823 1.00 0.28 H new ATOM 0 HA GLN A 133 3.828 8.459 -7.192 1.00 0.38 H new ATOM 0 HB2 GLN A 133 1.777 6.577 -8.364 1.00 0.58 H new ATOM 0 HB3 GLN A 133 3.199 7.250 -9.135 1.00 0.58 H new ATOM 0 HG2 GLN A 133 4.669 5.849 -7.973 1.00 0.79 H new ATOM 0 HG3 GLN A 133 3.531 5.557 -6.673 1.00 0.79 H new ATOM 0 HE21 GLN A 133 3.457 3.403 -6.678 1.00 0.31 H new ATOM 0 HE22 GLN A 133 2.806 2.445 -8.012 1.00 0.31 H new ATOM 1662 N LYS A 134 0.523 8.745 -7.121 1.00 0.36 N ATOM 1663 CA LYS A 134 -0.588 9.694 -7.303 1.00 0.44 C ATOM 1664 C LYS A 134 -0.200 11.114 -6.933 1.00 0.50 C ATOM 1665 O LYS A 134 -0.420 12.056 -7.697 1.00 0.61 O ATOM 1666 CB LYS A 134 -1.790 9.285 -6.438 1.00 0.49 C ATOM 1667 CG LYS A 134 -2.734 8.307 -7.096 1.00 1.04 C ATOM 1668 CD LYS A 134 -2.073 6.967 -7.303 1.00 1.77 C ATOM 1669 CE LYS A 134 -3.085 5.848 -7.224 1.00 2.51 C ATOM 1670 NZ LYS A 134 -4.192 5.993 -8.209 1.00 3.42 N ATOM 0 H LYS A 134 0.241 7.852 -6.717 1.00 0.36 H new ATOM 0 HA LYS A 134 -0.847 9.666 -8.361 1.00 0.44 H new ATOM 0 HB2 LYS A 134 -1.421 8.846 -5.511 1.00 0.49 H new ATOM 0 HB3 LYS A 134 -2.348 10.181 -6.167 1.00 0.49 H new ATOM 0 HG2 LYS A 134 -3.624 8.185 -6.479 1.00 1.04 H new ATOM 0 HG3 LYS A 134 -3.064 8.705 -8.056 1.00 1.04 H new ATOM 0 HD2 LYS A 134 -1.578 6.947 -8.274 1.00 1.77 H new ATOM 0 HD3 LYS A 134 -1.300 6.818 -6.549 1.00 1.77 H new ATOM 0 HE2 LYS A 134 -2.580 4.897 -7.391 1.00 2.51 H new ATOM 0 HE3 LYS A 134 -3.503 5.815 -6.218 1.00 2.51 H new ATOM 0 HZ1 LYS A 134 -5.099 6.057 -7.705 1.00 3.42 H new ATOM 0 HZ2 LYS A 134 -4.046 6.856 -8.770 1.00 3.42 H new ATOM 0 HZ3 LYS A 134 -4.205 5.167 -8.841 1.00 3.42 H new ATOM 1684 N GLU A 135 0.378 11.249 -5.758 1.00 0.57 N ATOM 1685 CA GLU A 135 0.750 12.546 -5.210 1.00 0.78 C ATOM 1686 C GLU A 135 1.723 13.314 -6.119 1.00 0.87 C ATOM 1687 O GLU A 135 1.638 14.538 -6.230 1.00 1.08 O ATOM 1688 CB GLU A 135 1.373 12.336 -3.832 1.00 0.91 C ATOM 1689 CG GLU A 135 1.595 13.616 -3.042 1.00 1.30 C ATOM 1690 CD GLU A 135 0.324 14.420 -2.856 1.00 1.73 C ATOM 1691 OE1 GLU A 135 -0.601 13.940 -2.167 1.00 2.15 O ATOM 1692 OE2 GLU A 135 0.241 15.538 -3.405 1.00 2.31 O ATOM 0 H GLU A 135 0.606 10.462 -5.150 1.00 0.57 H new ATOM 0 HA GLU A 135 -0.152 13.153 -5.135 1.00 0.78 H new ATOM 0 HB2 GLU A 135 0.730 11.673 -3.253 1.00 0.91 H new ATOM 0 HB3 GLU A 135 2.329 11.827 -3.953 1.00 0.91 H new ATOM 0 HG2 GLU A 135 2.008 13.367 -2.065 1.00 1.30 H new ATOM 0 HG3 GLU A 135 2.336 14.230 -3.554 1.00 1.30 H new ATOM 1699 N ASP A 136 2.633 12.602 -6.776 1.00 0.86 N ATOM 1700 CA ASP A 136 3.697 13.254 -7.546 1.00 1.09 C ATOM 1701 C ASP A 136 3.547 12.985 -9.044 1.00 1.29 C ATOM 1702 O ASP A 136 4.347 13.442 -9.858 1.00 1.78 O ATOM 1703 CB ASP A 136 5.065 12.759 -7.060 1.00 1.62 C ATOM 1704 CG ASP A 136 6.218 13.606 -7.568 1.00 1.94 C ATOM 1705 OD1 ASP A 136 6.377 14.750 -7.097 1.00 2.14 O ATOM 1706 OD2 ASP A 136 6.948 13.137 -8.466 1.00 2.53 O ATOM 0 H ASP A 136 2.659 11.582 -6.794 1.00 0.86 H new ATOM 0 HA ASP A 136 3.619 14.330 -7.389 1.00 1.09 H new ATOM 0 HB2 ASP A 136 5.077 12.755 -5.970 1.00 1.62 H new ATOM 0 HB3 ASP A 136 5.208 11.728 -7.384 1.00 1.62 H new ATOM 1711 N VAL A 137 2.514 12.242 -9.404 1.00 1.29 N ATOM 1712 CA VAL A 137 2.305 11.842 -10.789 1.00 1.83 C ATOM 1713 C VAL A 137 1.407 12.844 -11.514 1.00 2.01 C ATOM 1714 O VAL A 137 1.344 12.869 -12.744 1.00 2.52 O ATOM 1715 CB VAL A 137 1.687 10.422 -10.868 1.00 2.28 C ATOM 1716 CG1 VAL A 137 0.219 10.434 -10.465 1.00 2.82 C ATOM 1717 CG2 VAL A 137 1.870 9.824 -12.255 1.00 2.60 C ATOM 0 H VAL A 137 1.804 11.902 -8.756 1.00 1.29 H new ATOM 0 HA VAL A 137 3.278 11.825 -11.280 1.00 1.83 H new ATOM 0 HB VAL A 137 2.218 9.789 -10.157 1.00 2.28 H new ATOM 0 HG11 VAL A 137 -0.185 9.424 -10.531 1.00 2.82 H new ATOM 0 HG12 VAL A 137 0.126 10.796 -9.441 1.00 2.82 H new ATOM 0 HG13 VAL A 137 -0.337 11.091 -11.134 1.00 2.82 H new ATOM 0 HG21 VAL A 137 1.428 8.828 -12.283 1.00 2.60 H new ATOM 0 HG22 VAL A 137 1.380 10.460 -12.993 1.00 2.60 H new ATOM 0 HG23 VAL A 137 2.933 9.755 -12.484 1.00 2.60 H new ATOM 1727 N LYS A 138 0.722 13.672 -10.740 1.00 2.28 N ATOM 1728 CA LYS A 138 -0.179 14.664 -11.299 1.00 2.78 C ATOM 1729 C LYS A 138 0.586 15.928 -11.660 1.00 3.41 C ATOM 1730 O LYS A 138 0.820 16.761 -10.760 1.00 4.06 O ATOM 1731 CB LYS A 138 -1.299 14.987 -10.308 1.00 3.26 C ATOM 1732 CG LYS A 138 -2.133 13.779 -9.915 1.00 3.81 C ATOM 1733 CD LYS A 138 -3.223 14.156 -8.927 1.00 4.63 C ATOM 1734 CE LYS A 138 -4.056 12.949 -8.525 1.00 5.26 C ATOM 1735 NZ LYS A 138 -4.726 12.321 -9.695 1.00 5.57 N ATOM 1736 OXT LYS A 138 0.955 16.084 -12.840 1.00 3.77 O ATOM 0 H LYS A 138 0.774 13.675 -9.721 1.00 2.28 H new ATOM 0 HA LYS A 138 -0.625 14.255 -12.205 1.00 2.78 H new ATOM 0 HB2 LYS A 138 -0.863 15.424 -9.410 1.00 3.26 H new ATOM 0 HB3 LYS A 138 -1.952 15.742 -10.745 1.00 3.26 H new ATOM 0 HG2 LYS A 138 -2.583 13.340 -10.806 1.00 3.81 H new ATOM 0 HG3 LYS A 138 -1.489 13.018 -9.475 1.00 3.81 H new ATOM 0 HD2 LYS A 138 -2.773 14.600 -8.039 1.00 4.63 H new ATOM 0 HD3 LYS A 138 -3.869 14.914 -9.369 1.00 4.63 H new ATOM 0 HE2 LYS A 138 -3.417 12.214 -8.035 1.00 5.26 H new ATOM 0 HE3 LYS A 138 -4.808 13.253 -7.797 1.00 5.26 H new ATOM 0 HZ1 LYS A 138 -5.460 11.663 -9.363 1.00 5.57 H new ATOM 0 HZ2 LYS A 138 -5.163 13.060 -10.282 1.00 5.57 H new ATOM 0 HZ3 LYS A 138 -4.024 11.801 -10.259 1.00 5.57 H new TER 1750 LYS A 138