USER MOD reduce.3.24.130724 H: found=0, std=0, add=915, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 916 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 55 THR OG1 : rot 33:sc= 0.353 USER MOD Set 1.2: A 95 LYS NZ :NH3+ -176:sc= 1.42 (180deg=0.328) USER MOD Set 2.1: A 84 GLN : amide:sc= -0.713 K(o=-0.11,f=-2.4!) USER MOD Set 2.2: A 87 CYS SG : rot -10:sc= 0.604 USER MOD Set 3.1: A 69 LYS NZ :NH3+ 162:sc= 0.35 (180deg=-1.27) USER MOD Set 3.2: A 76 THR OG1 : rot -178:sc= 0.401 USER MOD Set 4.1: A 39 ASN : amide:sc= -0.254 K(o=-0.18,f=-4.9!) USER MOD Set 4.2: A 40 SER OG : rot 72:sc= 0.074 USER MOD Set 5.1: A 25 SER OG : rot 160:sc= 0 USER MOD Set 5.2: B 207 SER OG : rot 180:sc= -0.0674 USER MOD Set 6.1: A 3 LYS NZ :NH3+ -157:sc= 2.31 (180deg=1.07) USER MOD Set 6.2: A 9 GLN : amide:sc= 1.46 K(o=3.8,f=-4.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 175:sc= -0.126 (180deg=-0.173) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 MET CE :methyl 178:sc= 0 (180deg=-0.00756) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0144 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -130:sc= 0.129 USER MOD Single : A 19 SER OG : rot 143:sc= -0.61 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HE2:sc= -0.598 K(o=1.4,f=-9.5!) USER MOD Single : A 26 ASN : amide:sc= -0.116 K(o=-0.12,f=-0.93) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 72:sc= -0.554 USER MOD Single : A 36 GLN : amide:sc= -0.0243 K(o=-0.024,f=-1) USER MOD Single : A 37 GLN : amide:sc= -0.0676 K(o=-0.068,f=-0.71) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 49 GLN : amide:sc= -1.59 K(o=-1.6,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.586 X(o=-0.59,f=-0.97) USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= -0.104 (180deg=-0.481) USER MOD Single : A 67 LYS NZ :NH3+ 154:sc= 2.48 (180deg=1.46) USER MOD Single : A 70 SER OG : rot 97:sc= 0.418 USER MOD Single : A 72 LYS NZ :NH3+ 177:sc= 1.2 (180deg=1.19) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0.128 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -2.4! C(o=-2.4!,f=-5.2!) USER MOD Single : A 90 MET CE :methyl 163:sc= -0.0431 (180deg=-0.417) USER MOD Single : A 96 SER OG : rot 180:sc=0.000338 USER MOD Single : A 97 ASN : amide:sc= -0.115 X(o=-0.11,f=-0.31) USER MOD Single : B 192 TYR OH : rot 180:sc= 0 USER MOD Single : B 196 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : B 199 LYS NZ :NH3+ -179:sc= 0 (180deg=-4.34e-05) USER MOD Single : B 201 LYS NZ :NH3+ -163:sc= -0.0163 (180deg=-0.262) USER MOD Single : B 204 MET CE :methyl -118:sc= -0.342 (180deg=-1.87!) USER MOD Single : B 205 THR OG1 : rot 156:sc= 0.795 USER MOD Single : B 206 ASN : amide:sc= -0.784 K(o=-0.78,f=0) USER MOD Single : B 208 HIS : no HE2:sc= 0.458 K(o=0.46,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.304 -14.768 -10.167 1.00 1.79 N ATOM 2 CA MET A 1 -5.571 -13.553 -9.740 1.00 1.50 C ATOM 3 C MET A 1 -6.508 -12.346 -9.681 1.00 1.45 C ATOM 4 O MET A 1 -6.059 -11.207 -9.564 1.00 2.06 O ATOM 5 CB MET A 1 -4.402 -13.272 -10.698 1.00 1.78 C ATOM 6 CG MET A 1 -4.838 -12.830 -12.085 1.00 2.07 C ATOM 7 SD MET A 1 -3.444 -12.534 -13.193 1.00 2.89 S ATOM 8 CE MET A 1 -4.273 -11.816 -14.610 1.00 2.97 C ATOM 0 H1 MET A 1 -5.634 -15.555 -10.282 1.00 1.79 H new ATOM 0 H2 MET A 1 -7.011 -15.018 -9.447 1.00 1.79 H new ATOM 0 H3 MET A 1 -6.782 -14.585 -11.072 1.00 1.79 H new ATOM 0 HA MET A 1 -5.173 -13.727 -8.740 1.00 1.50 H new ATOM 0 HB2 MET A 1 -3.766 -12.500 -10.264 1.00 1.78 H new ATOM 0 HB3 MET A 1 -3.794 -14.172 -10.788 1.00 1.78 H new ATOM 0 HG2 MET A 1 -5.485 -13.593 -12.518 1.00 2.07 H new ATOM 0 HG3 MET A 1 -5.430 -11.919 -12.002 1.00 2.07 H new ATOM 0 HE1 MET A 1 -3.539 -11.580 -15.380 1.00 2.97 H new ATOM 0 HE2 MET A 1 -4.998 -12.527 -15.006 1.00 2.97 H new ATOM 0 HE3 MET A 1 -4.787 -10.904 -14.307 1.00 2.97 H new ATOM 20 N ALA A 2 -7.813 -12.592 -9.749 1.00 1.41 N ATOM 21 CA ALA A 2 -8.784 -11.513 -9.707 1.00 1.47 C ATOM 22 C ALA A 2 -9.177 -11.197 -8.269 1.00 1.31 C ATOM 23 O ALA A 2 -9.923 -11.949 -7.641 1.00 1.40 O ATOM 24 CB ALA A 2 -10.015 -11.864 -10.531 1.00 1.83 C ATOM 0 H ALA A 2 -8.217 -13.525 -9.833 1.00 1.41 H new ATOM 0 HA ALA A 2 -8.323 -10.625 -10.140 1.00 1.47 H new ATOM 0 HB1 ALA A 2 -10.730 -11.042 -10.486 1.00 1.83 H new ATOM 0 HB2 ALA A 2 -9.723 -12.034 -11.567 1.00 1.83 H new ATOM 0 HB3 ALA A 2 -10.475 -12.767 -10.131 1.00 1.83 H new ATOM 30 N LYS A 3 -8.674 -10.077 -7.758 1.00 1.21 N ATOM 31 CA LYS A 3 -8.968 -9.643 -6.392 1.00 1.10 C ATOM 32 C LYS A 3 -10.350 -8.984 -6.329 1.00 1.05 C ATOM 33 O LYS A 3 -10.522 -7.898 -5.772 1.00 1.21 O ATOM 34 CB LYS A 3 -7.885 -8.668 -5.913 1.00 1.11 C ATOM 35 CG LYS A 3 -7.679 -8.661 -4.406 1.00 1.22 C ATOM 36 CD LYS A 3 -7.037 -9.954 -3.928 1.00 1.18 C ATOM 37 CE LYS A 3 -7.010 -10.040 -2.410 1.00 1.23 C ATOM 38 NZ LYS A 3 -6.769 -11.430 -1.934 1.00 1.47 N ATOM 0 H LYS A 3 -8.057 -9.448 -8.272 1.00 1.21 H new ATOM 0 HA LYS A 3 -8.974 -10.513 -5.736 1.00 1.10 H new ATOM 0 HB2 LYS A 3 -6.942 -8.923 -6.397 1.00 1.11 H new ATOM 0 HB3 LYS A 3 -8.148 -7.661 -6.238 1.00 1.11 H new ATOM 0 HG2 LYS A 3 -7.050 -7.816 -4.127 1.00 1.22 H new ATOM 0 HG3 LYS A 3 -8.638 -8.523 -3.907 1.00 1.22 H new ATOM 0 HD2 LYS A 3 -7.587 -10.804 -4.331 1.00 1.18 H new ATOM 0 HD3 LYS A 3 -6.020 -10.020 -4.315 1.00 1.18 H new ATOM 0 HE2 LYS A 3 -6.230 -9.384 -2.024 1.00 1.23 H new ATOM 0 HE3 LYS A 3 -7.957 -9.679 -2.010 1.00 1.23 H new ATOM 0 HZ1 LYS A 3 -7.132 -11.533 -0.965 1.00 1.47 H new ATOM 0 HZ2 LYS A 3 -7.258 -12.101 -2.560 1.00 1.47 H new ATOM 0 HZ3 LYS A 3 -5.748 -11.628 -1.944 1.00 1.47 H new ATOM 52 N THR A 4 -11.333 -9.657 -6.906 1.00 1.06 N ATOM 53 CA THR A 4 -12.701 -9.158 -6.952 1.00 1.06 C ATOM 54 C THR A 4 -13.706 -10.283 -6.711 1.00 1.13 C ATOM 55 O THR A 4 -14.847 -10.046 -6.309 1.00 1.27 O ATOM 56 CB THR A 4 -12.979 -8.506 -8.325 1.00 1.12 C ATOM 57 OG1 THR A 4 -11.915 -7.600 -8.654 1.00 1.22 O ATOM 58 CG2 THR A 4 -14.307 -7.763 -8.326 1.00 1.23 C ATOM 0 H THR A 4 -11.207 -10.564 -7.356 1.00 1.06 H new ATOM 0 HA THR A 4 -12.815 -8.416 -6.162 1.00 1.06 H new ATOM 0 HB THR A 4 -13.034 -9.297 -9.073 1.00 1.12 H new ATOM 0 HG1 THR A 4 -12.093 -7.189 -9.526 1.00 1.22 H new ATOM 0 HG21 THR A 4 -14.473 -7.316 -9.306 1.00 1.23 H new ATOM 0 HG22 THR A 4 -15.114 -8.461 -8.104 1.00 1.23 H new ATOM 0 HG23 THR A 4 -14.286 -6.980 -7.568 1.00 1.23 H new ATOM 66 N GLU A 5 -13.264 -11.513 -6.919 1.00 1.20 N ATOM 67 CA GLU A 5 -14.131 -12.667 -6.766 1.00 1.33 C ATOM 68 C GLU A 5 -13.979 -13.311 -5.390 1.00 1.31 C ATOM 69 O GLU A 5 -14.260 -14.498 -5.219 1.00 1.58 O ATOM 70 CB GLU A 5 -13.810 -13.693 -7.854 1.00 1.56 C ATOM 71 CG GLU A 5 -13.562 -13.080 -9.224 1.00 1.73 C ATOM 72 CD GLU A 5 -14.831 -12.567 -9.868 1.00 1.94 C ATOM 73 OE1 GLU A 5 -15.518 -13.360 -10.545 1.00 2.37 O ATOM 74 OE2 GLU A 5 -15.151 -11.376 -9.694 1.00 2.15 O ATOM 0 H GLU A 5 -12.308 -11.737 -7.195 1.00 1.20 H new ATOM 0 HA GLU A 5 -15.163 -12.328 -6.862 1.00 1.33 H new ATOM 0 HB2 GLU A 5 -12.929 -14.261 -7.556 1.00 1.56 H new ATOM 0 HB3 GLU A 5 -14.636 -14.401 -7.927 1.00 1.56 H new ATOM 0 HG2 GLU A 5 -12.850 -12.260 -9.128 1.00 1.73 H new ATOM 0 HG3 GLU A 5 -13.104 -13.825 -9.874 1.00 1.73 H new ATOM 81 N GLU A 6 -13.555 -12.538 -4.402 1.00 1.20 N ATOM 82 CA GLU A 6 -13.366 -13.077 -3.063 1.00 1.19 C ATOM 83 C GLU A 6 -14.355 -12.477 -2.062 1.00 1.14 C ATOM 84 O GLU A 6 -15.369 -13.096 -1.741 1.00 1.26 O ATOM 85 CB GLU A 6 -11.935 -12.828 -2.592 1.00 1.16 C ATOM 86 CG GLU A 6 -10.883 -13.471 -3.480 1.00 1.41 C ATOM 87 CD GLU A 6 -9.601 -12.671 -3.530 1.00 1.47 C ATOM 88 OE1 GLU A 6 -9.579 -11.628 -4.208 1.00 1.83 O ATOM 89 OE2 GLU A 6 -8.607 -13.078 -2.894 1.00 1.64 O ATOM 0 H GLU A 6 -13.337 -11.546 -4.499 1.00 1.20 H new ATOM 0 HA GLU A 6 -13.552 -14.150 -3.113 1.00 1.19 H new ATOM 0 HB2 GLU A 6 -11.757 -11.754 -2.551 1.00 1.16 H new ATOM 0 HB3 GLU A 6 -11.824 -13.209 -1.577 1.00 1.16 H new ATOM 0 HG2 GLU A 6 -10.667 -14.475 -3.114 1.00 1.41 H new ATOM 0 HG3 GLU A 6 -11.280 -13.578 -4.489 1.00 1.41 H new ATOM 96 N MET A 7 -14.051 -11.267 -1.585 1.00 1.05 N ATOM 97 CA MET A 7 -14.877 -10.571 -0.587 1.00 1.09 C ATOM 98 C MET A 7 -14.888 -11.350 0.729 1.00 1.12 C ATOM 99 O MET A 7 -15.780 -11.193 1.558 1.00 1.32 O ATOM 100 CB MET A 7 -16.304 -10.344 -1.104 1.00 1.22 C ATOM 101 CG MET A 7 -17.010 -9.167 -0.447 1.00 1.44 C ATOM 102 SD MET A 7 -18.554 -8.729 -1.273 1.00 1.75 S ATOM 103 CE MET A 7 -19.607 -10.080 -0.749 1.00 2.16 C ATOM 0 H MET A 7 -13.228 -10.741 -1.877 1.00 1.05 H new ATOM 0 HA MET A 7 -14.436 -9.591 -0.405 1.00 1.09 H new ATOM 0 HB2 MET A 7 -16.270 -10.181 -2.181 1.00 1.22 H new ATOM 0 HB3 MET A 7 -16.890 -11.248 -0.937 1.00 1.22 H new ATOM 0 HG2 MET A 7 -17.217 -9.409 0.596 1.00 1.44 H new ATOM 0 HG3 MET A 7 -16.345 -8.303 -0.448 1.00 1.44 H new ATOM 0 HE1 MET A 7 -20.611 -9.935 -1.149 1.00 2.16 H new ATOM 0 HE2 MET A 7 -19.201 -11.022 -1.119 1.00 2.16 H new ATOM 0 HE3 MET A 7 -19.651 -10.106 0.340 1.00 2.16 H new ATOM 113 N VAL A 8 -13.873 -12.187 0.901 1.00 1.13 N ATOM 114 CA VAL A 8 -13.725 -13.001 2.097 1.00 1.22 C ATOM 115 C VAL A 8 -12.294 -12.911 2.629 1.00 1.14 C ATOM 116 O VAL A 8 -11.562 -13.900 2.672 1.00 1.34 O ATOM 117 CB VAL A 8 -14.087 -14.483 1.833 1.00 1.45 C ATOM 118 CG1 VAL A 8 -15.592 -14.684 1.868 1.00 1.70 C ATOM 119 CG2 VAL A 8 -13.517 -14.956 0.501 1.00 1.49 C ATOM 0 H VAL A 8 -13.130 -12.320 0.215 1.00 1.13 H new ATOM 0 HA VAL A 8 -14.418 -12.610 2.842 1.00 1.22 H new ATOM 0 HB VAL A 8 -13.640 -15.083 2.626 1.00 1.45 H new ATOM 0 HG11 VAL A 8 -15.824 -15.732 1.680 1.00 1.70 H new ATOM 0 HG12 VAL A 8 -15.975 -14.398 2.848 1.00 1.70 H new ATOM 0 HG13 VAL A 8 -16.060 -14.066 1.101 1.00 1.70 H new ATOM 0 HG21 VAL A 8 -13.786 -16.000 0.340 1.00 1.49 H new ATOM 0 HG22 VAL A 8 -13.925 -14.348 -0.306 1.00 1.49 H new ATOM 0 HG23 VAL A 8 -12.431 -14.859 0.515 1.00 1.49 H new ATOM 129 N GLN A 9 -11.891 -11.708 3.001 1.00 0.97 N ATOM 130 CA GLN A 9 -10.556 -11.469 3.530 1.00 0.93 C ATOM 131 C GLN A 9 -10.633 -11.000 4.986 1.00 0.91 C ATOM 132 O GLN A 9 -11.472 -11.479 5.746 1.00 0.98 O ATOM 133 CB GLN A 9 -9.849 -10.434 2.661 1.00 0.89 C ATOM 134 CG GLN A 9 -9.774 -10.832 1.195 1.00 1.00 C ATOM 135 CD GLN A 9 -8.770 -11.938 0.939 1.00 1.20 C ATOM 136 OE1 GLN A 9 -7.622 -11.676 0.593 1.00 1.49 O ATOM 137 NE2 GLN A 9 -9.192 -13.180 1.117 1.00 1.43 N ATOM 0 H GLN A 9 -12.475 -10.873 2.946 1.00 0.97 H new ATOM 0 HA GLN A 9 -9.986 -12.398 3.510 1.00 0.93 H new ATOM 0 HB2 GLN A 9 -10.371 -9.481 2.746 1.00 0.89 H new ATOM 0 HB3 GLN A 9 -8.839 -10.279 3.041 1.00 0.89 H new ATOM 0 HG2 GLN A 9 -10.759 -11.157 0.860 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -9.507 -9.959 0.599 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -10.155 -13.355 1.405 1.00 1.43 H new ATOM 0 HE22 GLN A 9 -8.555 -13.962 0.966 1.00 1.43 H new ATOM 146 N THR A 10 -9.766 -10.068 5.368 1.00 0.91 N ATOM 147 CA THR A 10 -9.749 -9.549 6.731 1.00 0.91 C ATOM 148 C THR A 10 -11.035 -8.781 7.046 1.00 0.88 C ATOM 149 O THR A 10 -11.367 -7.803 6.375 1.00 0.82 O ATOM 150 CB THR A 10 -8.534 -8.631 6.948 1.00 0.89 C ATOM 151 OG1 THR A 10 -7.390 -9.185 6.282 1.00 0.98 O ATOM 152 CG2 THR A 10 -8.229 -8.468 8.429 1.00 0.96 C ATOM 0 H THR A 10 -9.065 -9.656 4.752 1.00 0.91 H new ATOM 0 HA THR A 10 -9.678 -10.402 7.406 1.00 0.91 H new ATOM 0 HB THR A 10 -8.767 -7.650 6.535 1.00 0.89 H new ATOM 0 HG1 THR A 10 -6.616 -8.599 6.419 1.00 0.98 H new ATOM 0 HG21 THR A 10 -7.366 -7.814 8.553 1.00 0.96 H new ATOM 0 HG22 THR A 10 -9.091 -8.030 8.932 1.00 0.96 H new ATOM 0 HG23 THR A 10 -8.011 -9.443 8.865 1.00 0.96 H new ATOM 160 N GLU A 11 -11.757 -9.237 8.060 1.00 0.99 N ATOM 161 CA GLU A 11 -13.012 -8.605 8.449 1.00 1.04 C ATOM 162 C GLU A 11 -12.804 -7.582 9.560 1.00 1.02 C ATOM 163 O GLU A 11 -11.827 -7.648 10.308 1.00 1.03 O ATOM 164 CB GLU A 11 -14.012 -9.666 8.909 1.00 1.19 C ATOM 165 CG GLU A 11 -15.463 -9.240 8.757 1.00 1.29 C ATOM 166 CD GLU A 11 -16.433 -10.276 9.277 1.00 1.51 C ATOM 167 OE1 GLU A 11 -16.310 -11.459 8.904 1.00 1.58 O ATOM 168 OE2 GLU A 11 -17.324 -9.908 10.068 1.00 1.89 O ATOM 0 H GLU A 11 -11.496 -10.042 8.629 1.00 0.99 H new ATOM 0 HA GLU A 11 -13.404 -8.083 7.576 1.00 1.04 H new ATOM 0 HB2 GLU A 11 -13.848 -10.580 8.338 1.00 1.19 H new ATOM 0 HB3 GLU A 11 -13.820 -9.905 9.955 1.00 1.19 H new ATOM 0 HG2 GLU A 11 -15.620 -8.302 9.290 1.00 1.29 H new ATOM 0 HG3 GLU A 11 -15.673 -9.048 7.705 1.00 1.29 H new ATOM 175 N GLU A 12 -13.735 -6.643 9.652 1.00 1.07 N ATOM 176 CA GLU A 12 -13.702 -5.602 10.666 1.00 1.10 C ATOM 177 C GLU A 12 -15.127 -5.244 11.076 1.00 1.22 C ATOM 178 O GLU A 12 -16.076 -5.923 10.677 1.00 1.54 O ATOM 179 CB GLU A 12 -12.974 -4.360 10.143 1.00 1.07 C ATOM 180 CG GLU A 12 -11.748 -3.985 10.960 1.00 1.18 C ATOM 181 CD GLU A 12 -12.072 -3.754 12.417 1.00 1.74 C ATOM 182 OE1 GLU A 12 -12.963 -2.928 12.706 1.00 2.22 O ATOM 183 OE2 GLU A 12 -11.449 -4.409 13.276 1.00 2.23 O ATOM 0 H GLU A 12 -14.536 -6.583 9.023 1.00 1.07 H new ATOM 0 HA GLU A 12 -13.159 -5.974 11.535 1.00 1.10 H new ATOM 0 HB2 GLU A 12 -12.673 -4.534 9.110 1.00 1.07 H new ATOM 0 HB3 GLU A 12 -13.667 -3.519 10.136 1.00 1.07 H new ATOM 0 HG2 GLU A 12 -11.004 -4.778 10.878 1.00 1.18 H new ATOM 0 HG3 GLU A 12 -11.300 -3.083 10.543 1.00 1.18 H new ATOM 190 N MET A 13 -15.272 -4.183 11.860 1.00 1.20 N ATOM 191 CA MET A 13 -16.585 -3.737 12.324 1.00 1.31 C ATOM 192 C MET A 13 -17.502 -3.404 11.152 1.00 1.28 C ATOM 193 O MET A 13 -18.671 -3.792 11.132 1.00 1.46 O ATOM 194 CB MET A 13 -16.441 -2.514 13.232 1.00 1.40 C ATOM 195 CG MET A 13 -15.695 -2.796 14.522 1.00 1.63 C ATOM 196 SD MET A 13 -15.455 -1.313 15.517 1.00 1.83 S ATOM 197 CE MET A 13 -14.600 -1.996 16.933 1.00 2.25 C ATOM 0 H MET A 13 -14.494 -3.611 12.190 1.00 1.20 H new ATOM 0 HA MET A 13 -17.033 -4.554 12.889 1.00 1.31 H new ATOM 0 HB2 MET A 13 -15.920 -1.727 12.686 1.00 1.40 H new ATOM 0 HB3 MET A 13 -17.433 -2.132 13.473 1.00 1.40 H new ATOM 0 HG2 MET A 13 -16.247 -3.535 15.103 1.00 1.63 H new ATOM 0 HG3 MET A 13 -14.725 -3.234 14.289 1.00 1.63 H new ATOM 0 HE1 MET A 13 -14.380 -1.200 17.644 1.00 2.25 H new ATOM 0 HE2 MET A 13 -15.230 -2.746 17.411 1.00 2.25 H new ATOM 0 HE3 MET A 13 -13.669 -2.459 16.607 1.00 2.25 H new ATOM 207 N GLU A 14 -16.967 -2.691 10.172 1.00 1.19 N ATOM 208 CA GLU A 14 -17.744 -2.305 9.004 1.00 1.18 C ATOM 209 C GLU A 14 -17.269 -3.053 7.764 1.00 1.09 C ATOM 210 O GLU A 14 -18.078 -3.578 6.997 1.00 1.18 O ATOM 211 CB GLU A 14 -17.648 -0.795 8.776 1.00 1.19 C ATOM 212 CG GLU A 14 -18.248 -0.343 7.452 1.00 1.29 C ATOM 213 CD GLU A 14 -18.469 1.153 7.379 1.00 1.54 C ATOM 214 OE1 GLU A 14 -18.553 1.799 8.440 1.00 2.13 O ATOM 215 OE2 GLU A 14 -18.574 1.687 6.253 1.00 2.02 O ATOM 0 H GLU A 14 -15.999 -2.368 10.162 1.00 1.19 H new ATOM 0 HA GLU A 14 -18.785 -2.570 9.187 1.00 1.18 H new ATOM 0 HB2 GLU A 14 -18.156 -0.279 9.591 1.00 1.19 H new ATOM 0 HB3 GLU A 14 -16.601 -0.496 8.813 1.00 1.19 H new ATOM 0 HG2 GLU A 14 -17.589 -0.647 6.639 1.00 1.29 H new ATOM 0 HG3 GLU A 14 -19.199 -0.853 7.298 1.00 1.29 H new ATOM 222 N THR A 15 -15.956 -3.092 7.580 1.00 0.98 N ATOM 223 CA THR A 15 -15.345 -3.759 6.441 1.00 0.90 C ATOM 224 C THR A 15 -15.708 -5.248 6.404 1.00 0.94 C ATOM 225 O THR A 15 -15.284 -6.020 7.267 1.00 0.98 O ATOM 226 CB THR A 15 -13.821 -3.600 6.509 1.00 0.84 C ATOM 227 OG1 THR A 15 -13.494 -2.517 7.397 1.00 0.83 O ATOM 228 CG2 THR A 15 -13.245 -3.316 5.134 1.00 0.91 C ATOM 0 H THR A 15 -15.286 -2.662 8.217 1.00 0.98 H new ATOM 0 HA THR A 15 -15.726 -3.296 5.531 1.00 0.90 H new ATOM 0 HB THR A 15 -13.391 -4.531 6.879 1.00 0.84 H new ATOM 0 HG1 THR A 15 -12.863 -1.911 6.955 1.00 0.83 H new ATOM 0 HG21 THR A 15 -12.163 -3.207 5.208 1.00 0.91 H new ATOM 0 HG22 THR A 15 -13.482 -4.142 4.463 1.00 0.91 H new ATOM 0 HG23 THR A 15 -13.676 -2.395 4.742 1.00 0.91 H new ATOM 236 N PRO A 16 -16.494 -5.675 5.398 1.00 0.97 N ATOM 237 CA PRO A 16 -16.925 -7.063 5.258 1.00 1.04 C ATOM 238 C PRO A 16 -15.865 -7.940 4.609 1.00 0.96 C ATOM 239 O PRO A 16 -15.953 -8.254 3.421 1.00 0.96 O ATOM 240 CB PRO A 16 -18.160 -6.978 4.348 1.00 1.12 C ATOM 241 CG PRO A 16 -18.321 -5.535 3.983 1.00 1.07 C ATOM 242 CD PRO A 16 -17.023 -4.855 4.309 1.00 0.98 C ATOM 0 HA PRO A 16 -17.123 -7.515 6.230 1.00 1.04 H new ATOM 0 HB2 PRO A 16 -18.028 -7.591 3.457 1.00 1.12 H new ATOM 0 HB3 PRO A 16 -19.047 -7.349 4.862 1.00 1.12 H new ATOM 0 HG2 PRO A 16 -18.557 -5.429 2.924 1.00 1.07 H new ATOM 0 HG3 PRO A 16 -19.143 -5.085 4.540 1.00 1.07 H new ATOM 0 HD2 PRO A 16 -16.349 -4.837 3.452 1.00 0.98 H new ATOM 0 HD3 PRO A 16 -17.174 -3.821 4.618 1.00 0.98 H new ATOM 250 N ARG A 17 -14.860 -8.320 5.396 1.00 0.95 N ATOM 251 CA ARG A 17 -13.776 -9.172 4.917 1.00 0.92 C ATOM 252 C ARG A 17 -13.123 -8.561 3.680 1.00 0.82 C ATOM 253 O ARG A 17 -13.065 -9.182 2.617 1.00 0.83 O ATOM 254 CB ARG A 17 -14.305 -10.576 4.607 1.00 1.01 C ATOM 255 CG ARG A 17 -15.094 -11.189 5.747 1.00 1.13 C ATOM 256 CD ARG A 17 -14.777 -12.665 5.929 1.00 1.19 C ATOM 257 NE ARG A 17 -15.318 -13.179 7.185 1.00 1.38 N ATOM 258 CZ ARG A 17 -15.255 -14.450 7.568 1.00 1.67 C ATOM 259 NH1 ARG A 17 -14.652 -15.351 6.808 1.00 1.84 N ATOM 260 NH2 ARG A 17 -15.787 -14.816 8.726 1.00 1.94 N ATOM 0 H ARG A 17 -14.775 -8.048 6.375 1.00 0.95 H new ATOM 0 HA ARG A 17 -13.021 -9.249 5.700 1.00 0.92 H new ATOM 0 HB2 ARG A 17 -14.938 -10.530 3.721 1.00 1.01 H new ATOM 0 HB3 ARG A 17 -13.465 -11.227 4.365 1.00 1.01 H new ATOM 0 HG2 ARG A 17 -14.872 -10.654 6.670 1.00 1.13 H new ATOM 0 HG3 ARG A 17 -16.160 -11.068 5.556 1.00 1.13 H new ATOM 0 HD2 ARG A 17 -15.190 -13.232 5.095 1.00 1.19 H new ATOM 0 HD3 ARG A 17 -13.697 -12.811 5.910 1.00 1.19 H new ATOM 0 HE ARG A 17 -15.776 -12.517 7.811 1.00 1.38 H new ATOM 0 HH11 ARG A 17 -14.232 -15.071 5.922 1.00 1.84 H new ATOM 0 HH12 ARG A 17 -14.608 -16.325 7.109 1.00 1.84 H new ATOM 0 HH21 ARG A 17 -16.243 -14.123 9.320 1.00 1.94 H new ATOM 0 HH22 ARG A 17 -15.741 -15.791 9.023 1.00 1.94 H new ATOM 274 N LEU A 18 -12.611 -7.350 3.835 1.00 0.75 N ATOM 275 CA LEU A 18 -11.994 -6.633 2.732 1.00 0.67 C ATOM 276 C LEU A 18 -10.588 -6.151 3.079 1.00 0.63 C ATOM 277 O LEU A 18 -10.415 -5.262 3.916 1.00 0.66 O ATOM 278 CB LEU A 18 -12.868 -5.433 2.351 1.00 0.65 C ATOM 279 CG LEU A 18 -13.481 -5.475 0.953 1.00 0.64 C ATOM 280 CD1 LEU A 18 -14.482 -6.612 0.841 1.00 0.78 C ATOM 281 CD2 LEU A 18 -14.148 -4.147 0.625 1.00 0.66 C ATOM 0 H LEU A 18 -12.611 -6.842 4.719 1.00 0.75 H new ATOM 0 HA LEU A 18 -11.910 -7.322 1.892 1.00 0.67 H new ATOM 0 HB2 LEU A 18 -13.675 -5.350 3.079 1.00 0.65 H new ATOM 0 HB3 LEU A 18 -12.267 -4.528 2.437 1.00 0.65 H new ATOM 0 HG LEU A 18 -12.681 -5.649 0.233 1.00 0.64 H new ATOM 0 HD11 LEU A 18 -14.907 -6.625 -0.162 1.00 0.78 H new ATOM 0 HD12 LEU A 18 -13.979 -7.560 1.034 1.00 0.78 H new ATOM 0 HD13 LEU A 18 -15.279 -6.469 1.571 1.00 0.78 H new ATOM 0 HD21 LEU A 18 -14.580 -4.194 -0.375 1.00 0.66 H new ATOM 0 HD22 LEU A 18 -14.936 -3.946 1.351 1.00 0.66 H new ATOM 0 HD23 LEU A 18 -13.407 -3.348 0.663 1.00 0.66 H new ATOM 293 N SER A 19 -9.589 -6.744 2.441 1.00 0.63 N ATOM 294 CA SER A 19 -8.206 -6.352 2.654 1.00 0.64 C ATOM 295 C SER A 19 -7.571 -6.019 1.307 1.00 0.61 C ATOM 296 O SER A 19 -8.056 -6.457 0.264 1.00 0.70 O ATOM 297 CB SER A 19 -7.418 -7.451 3.373 1.00 0.77 C ATOM 298 OG SER A 19 -7.380 -8.648 2.617 1.00 1.44 O ATOM 0 H SER A 19 -9.713 -7.501 1.769 1.00 0.63 H new ATOM 0 HA SER A 19 -8.182 -5.471 3.295 1.00 0.64 H new ATOM 0 HB2 SER A 19 -6.401 -7.106 3.560 1.00 0.77 H new ATOM 0 HB3 SER A 19 -7.872 -7.648 4.344 1.00 0.77 H new ATOM 0 HG SER A 19 -6.501 -9.069 2.715 1.00 1.44 H new ATOM 304 N VAL A 20 -6.503 -5.243 1.329 1.00 0.55 N ATOM 305 CA VAL A 20 -5.836 -4.833 0.106 1.00 0.56 C ATOM 306 C VAL A 20 -4.410 -5.378 0.024 1.00 0.67 C ATOM 307 O VAL A 20 -3.728 -5.549 1.039 1.00 0.73 O ATOM 308 CB VAL A 20 -5.800 -3.293 0.002 1.00 0.49 C ATOM 309 CG1 VAL A 20 -4.865 -2.705 1.045 1.00 0.55 C ATOM 310 CG2 VAL A 20 -5.400 -2.846 -1.395 1.00 0.53 C ATOM 0 H VAL A 20 -6.077 -4.883 2.183 1.00 0.55 H new ATOM 0 HA VAL A 20 -6.408 -5.246 -0.725 1.00 0.56 H new ATOM 0 HB VAL A 20 -6.806 -2.921 0.196 1.00 0.49 H new ATOM 0 HG11 VAL A 20 -4.855 -1.619 0.954 1.00 0.55 H new ATOM 0 HG12 VAL A 20 -5.211 -2.982 2.041 1.00 0.55 H new ATOM 0 HG13 VAL A 20 -3.858 -3.091 0.890 1.00 0.55 H new ATOM 0 HG21 VAL A 20 -5.383 -1.757 -1.438 1.00 0.53 H new ATOM 0 HG22 VAL A 20 -4.409 -3.234 -1.631 1.00 0.53 H new ATOM 0 HG23 VAL A 20 -6.120 -3.227 -2.119 1.00 0.53 H new ATOM 320 N ILE A 21 -3.968 -5.653 -1.194 1.00 0.73 N ATOM 321 CA ILE A 21 -2.626 -6.152 -1.422 1.00 0.86 C ATOM 322 C ILE A 21 -1.667 -4.989 -1.651 1.00 0.87 C ATOM 323 O ILE A 21 -1.592 -4.436 -2.752 1.00 0.88 O ATOM 324 CB ILE A 21 -2.569 -7.108 -2.635 1.00 0.96 C ATOM 325 CG1 ILE A 21 -3.480 -8.319 -2.411 1.00 0.98 C ATOM 326 CG2 ILE A 21 -1.138 -7.560 -2.894 1.00 1.11 C ATOM 327 CD1 ILE A 21 -3.504 -9.282 -3.579 1.00 1.10 C ATOM 0 H ILE A 21 -4.524 -5.537 -2.041 1.00 0.73 H new ATOM 0 HA ILE A 21 -2.329 -6.710 -0.534 1.00 0.86 H new ATOM 0 HB ILE A 21 -2.924 -6.568 -3.512 1.00 0.96 H new ATOM 0 HG12 ILE A 21 -3.151 -8.851 -1.519 1.00 0.98 H new ATOM 0 HG13 ILE A 21 -4.494 -7.970 -2.218 1.00 0.98 H new ATOM 0 HG21 ILE A 21 -1.118 -8.232 -3.752 1.00 1.11 H new ATOM 0 HG22 ILE A 21 -0.514 -6.691 -3.100 1.00 1.11 H new ATOM 0 HG23 ILE A 21 -0.756 -8.081 -2.016 1.00 1.11 H new ATOM 0 HD11 ILE A 21 -4.169 -10.115 -3.350 1.00 1.10 H new ATOM 0 HD12 ILE A 21 -3.862 -8.765 -4.469 1.00 1.10 H new ATOM 0 HD13 ILE A 21 -2.498 -9.660 -3.759 1.00 1.10 H new ATOM 339 N VAL A 22 -0.967 -4.596 -0.599 1.00 0.89 N ATOM 340 CA VAL A 22 -0.002 -3.514 -0.694 1.00 0.93 C ATOM 341 C VAL A 22 1.298 -4.049 -1.267 1.00 1.07 C ATOM 342 O VAL A 22 1.912 -4.949 -0.695 1.00 1.15 O ATOM 343 CB VAL A 22 0.272 -2.861 0.677 1.00 0.92 C ATOM 344 CG1 VAL A 22 1.101 -1.594 0.517 1.00 0.97 C ATOM 345 CG2 VAL A 22 -1.028 -2.565 1.407 1.00 0.80 C ATOM 0 H VAL A 22 -1.049 -5.010 0.330 1.00 0.89 H new ATOM 0 HA VAL A 22 -0.421 -2.749 -1.348 1.00 0.93 H new ATOM 0 HB VAL A 22 0.844 -3.568 1.278 1.00 0.92 H new ATOM 0 HG11 VAL A 22 1.282 -1.151 1.497 1.00 0.97 H new ATOM 0 HG12 VAL A 22 2.054 -1.840 0.049 1.00 0.97 H new ATOM 0 HG13 VAL A 22 0.562 -0.883 -0.109 1.00 0.97 H new ATOM 0 HG21 VAL A 22 -0.808 -2.105 2.370 1.00 0.80 H new ATOM 0 HG22 VAL A 22 -1.634 -1.884 0.810 1.00 0.80 H new ATOM 0 HG23 VAL A 22 -1.576 -3.494 1.565 1.00 0.80 H new ATOM 355 N THR A 23 1.704 -3.510 -2.405 1.00 1.12 N ATOM 356 CA THR A 23 2.920 -3.947 -3.060 1.00 1.26 C ATOM 357 C THR A 23 3.916 -2.797 -3.196 1.00 1.32 C ATOM 358 O THR A 23 3.548 -1.679 -3.562 1.00 1.28 O ATOM 359 CB THR A 23 2.612 -4.526 -4.454 1.00 1.33 C ATOM 360 OG1 THR A 23 1.355 -5.217 -4.420 1.00 1.89 O ATOM 361 CG2 THR A 23 3.712 -5.481 -4.901 1.00 1.63 C ATOM 0 H THR A 23 1.205 -2.766 -2.894 1.00 1.12 H new ATOM 0 HA THR A 23 3.364 -4.725 -2.439 1.00 1.26 H new ATOM 0 HB THR A 23 2.561 -3.703 -5.167 1.00 1.33 H new ATOM 0 HG1 THR A 23 1.159 -5.583 -5.308 1.00 1.89 H new ATOM 0 HG21 THR A 23 3.472 -5.877 -5.888 1.00 1.63 H new ATOM 0 HG22 THR A 23 4.661 -4.947 -4.945 1.00 1.63 H new ATOM 0 HG23 THR A 23 3.791 -6.303 -4.190 1.00 1.63 H new ATOM 369 N HIS A 24 5.172 -3.080 -2.887 1.00 1.45 N ATOM 370 CA HIS A 24 6.234 -2.086 -2.977 1.00 1.54 C ATOM 371 C HIS A 24 7.500 -2.731 -3.540 1.00 1.61 C ATOM 372 O HIS A 24 8.459 -2.979 -2.808 1.00 1.63 O ATOM 373 CB HIS A 24 6.491 -1.459 -1.593 1.00 1.58 C ATOM 374 CG HIS A 24 7.622 -0.472 -1.546 1.00 1.68 C ATOM 375 ND1 HIS A 24 8.582 -0.473 -0.552 1.00 1.78 N ATOM 376 CD2 HIS A 24 7.946 0.549 -2.373 1.00 1.75 C ATOM 377 CE1 HIS A 24 9.441 0.503 -0.774 1.00 1.88 C ATOM 378 NE2 HIS A 24 9.079 1.134 -1.869 1.00 1.86 N ATOM 0 H HIS A 24 5.484 -3.998 -2.569 1.00 1.45 H new ATOM 0 HA HIS A 24 5.929 -1.288 -3.654 1.00 1.54 H new ATOM 0 HB2 HIS A 24 5.580 -0.961 -1.261 1.00 1.58 H new ATOM 0 HB3 HIS A 24 6.696 -2.258 -0.881 1.00 1.58 H new ATOM 0 HD1 HIS A 24 8.620 -1.126 0.231 1.00 1.78 H new ATOM 0 HD2 HIS A 24 7.412 0.847 -3.263 1.00 1.75 H new ATOM 0 HE1 HIS A 24 10.297 0.743 -0.160 1.00 1.88 H new ATOM 387 N SER A 25 7.470 -3.023 -4.841 1.00 1.68 N ATOM 388 CA SER A 25 8.593 -3.644 -5.551 1.00 1.77 C ATOM 389 C SER A 25 8.824 -5.087 -5.083 1.00 1.80 C ATOM 390 O SER A 25 8.549 -6.042 -5.807 1.00 1.90 O ATOM 391 CB SER A 25 9.869 -2.805 -5.391 1.00 1.78 C ATOM 392 OG SER A 25 10.936 -3.341 -6.151 1.00 1.90 O ATOM 0 H SER A 25 6.663 -2.835 -5.436 1.00 1.68 H new ATOM 0 HA SER A 25 8.337 -3.679 -6.610 1.00 1.77 H new ATOM 0 HB2 SER A 25 9.674 -1.780 -5.706 1.00 1.78 H new ATOM 0 HB3 SER A 25 10.152 -2.767 -4.339 1.00 1.78 H new ATOM 0 HG SER A 25 11.615 -2.649 -6.296 1.00 1.90 H new ATOM 398 N ASN A 26 9.326 -5.243 -3.869 1.00 1.77 N ATOM 399 CA ASN A 26 9.587 -6.564 -3.311 1.00 1.82 C ATOM 400 C ASN A 26 8.957 -6.673 -1.932 1.00 1.75 C ATOM 401 O ASN A 26 9.248 -7.589 -1.165 1.00 1.87 O ATOM 402 CB ASN A 26 11.091 -6.813 -3.223 1.00 1.95 C ATOM 403 CG ASN A 26 11.582 -7.851 -4.215 1.00 2.06 C ATOM 404 OD1 ASN A 26 12.471 -8.643 -3.908 1.00 2.28 O ATOM 405 ND2 ASN A 26 11.022 -7.845 -5.414 1.00 2.32 N ATOM 0 H ASN A 26 9.562 -4.470 -3.247 1.00 1.77 H new ATOM 0 HA ASN A 26 9.148 -7.318 -3.964 1.00 1.82 H new ATOM 0 HB2 ASN A 26 11.619 -5.875 -3.396 1.00 1.95 H new ATOM 0 HB3 ASN A 26 11.341 -7.138 -2.213 1.00 1.95 H new ATOM 0 HD21 ASN A 26 11.325 -8.514 -6.122 1.00 2.32 H new ATOM 0 HD22 ASN A 26 10.287 -7.172 -5.630 1.00 2.32 H new ATOM 412 N GLU A 27 8.097 -5.716 -1.631 1.00 1.66 N ATOM 413 CA GLU A 27 7.409 -5.663 -0.351 1.00 1.60 C ATOM 414 C GLU A 27 5.958 -6.089 -0.509 1.00 1.47 C ATOM 415 O GLU A 27 5.320 -5.775 -1.519 1.00 1.48 O ATOM 416 CB GLU A 27 7.453 -4.241 0.191 1.00 1.63 C ATOM 417 CG GLU A 27 7.832 -4.132 1.651 1.00 1.89 C ATOM 418 CD GLU A 27 7.813 -2.692 2.111 1.00 1.91 C ATOM 419 OE1 GLU A 27 8.695 -1.918 1.676 1.00 2.14 O ATOM 420 OE2 GLU A 27 6.900 -2.318 2.867 1.00 2.24 O ATOM 0 H GLU A 27 7.855 -4.954 -2.265 1.00 1.66 H new ATOM 0 HA GLU A 27 7.907 -6.343 0.341 1.00 1.60 H new ATOM 0 HB2 GLU A 27 8.165 -3.664 -0.399 1.00 1.63 H new ATOM 0 HB3 GLU A 27 6.475 -3.782 0.049 1.00 1.63 H new ATOM 0 HG2 GLU A 27 7.140 -4.719 2.255 1.00 1.89 H new ATOM 0 HG3 GLU A 27 8.825 -4.553 1.805 1.00 1.89 H new ATOM 427 N ARG A 28 5.440 -6.778 0.494 1.00 1.44 N ATOM 428 CA ARG A 28 4.064 -7.243 0.475 1.00 1.33 C ATOM 429 C ARG A 28 3.410 -6.999 1.829 1.00 1.28 C ATOM 430 O ARG A 28 3.939 -7.405 2.861 1.00 1.36 O ATOM 431 CB ARG A 28 4.014 -8.731 0.123 1.00 1.41 C ATOM 432 CG ARG A 28 3.196 -9.037 -1.119 1.00 1.45 C ATOM 433 CD ARG A 28 1.723 -8.718 -0.912 1.00 1.48 C ATOM 434 NE ARG A 28 1.082 -9.656 0.007 1.00 1.48 N ATOM 435 CZ ARG A 28 -0.105 -9.455 0.583 1.00 1.51 C ATOM 436 NH1 ARG A 28 -0.763 -8.320 0.391 1.00 1.47 N ATOM 437 NH2 ARG A 28 -0.628 -10.378 1.371 1.00 1.92 N ATOM 0 H ARG A 28 5.956 -7.029 1.337 1.00 1.44 H new ATOM 0 HA ARG A 28 3.515 -6.686 -0.285 1.00 1.33 H new ATOM 0 HB2 ARG A 28 5.031 -9.095 -0.024 1.00 1.41 H new ATOM 0 HB3 ARG A 28 3.597 -9.281 0.967 1.00 1.41 H new ATOM 0 HG2 ARG A 28 3.579 -8.459 -1.960 1.00 1.45 H new ATOM 0 HG3 ARG A 28 3.308 -10.090 -1.379 1.00 1.45 H new ATOM 0 HD2 ARG A 28 1.623 -7.705 -0.523 1.00 1.48 H new ATOM 0 HD3 ARG A 28 1.208 -8.743 -1.873 1.00 1.48 H new ATOM 0 HE ARG A 28 1.575 -10.523 0.223 1.00 1.48 H new ATOM 0 HH11 ARG A 28 -0.363 -7.592 -0.201 1.00 1.47 H new ATOM 0 HH12 ARG A 28 -1.670 -8.175 0.835 1.00 1.47 H new ATOM 0 HH21 ARG A 28 -0.124 -11.248 1.541 1.00 1.92 H new ATOM 0 HH22 ARG A 28 -1.535 -10.220 1.809 1.00 1.92 H new ATOM 451 N TYR A 29 2.281 -6.309 1.827 1.00 1.17 N ATOM 452 CA TYR A 29 1.564 -6.021 3.061 1.00 1.13 C ATOM 453 C TYR A 29 0.062 -6.172 2.860 1.00 1.01 C ATOM 454 O TYR A 29 -0.467 -5.819 1.808 1.00 1.00 O ATOM 455 CB TYR A 29 1.889 -4.607 3.544 1.00 1.13 C ATOM 456 CG TYR A 29 2.650 -4.575 4.848 1.00 1.30 C ATOM 457 CD1 TYR A 29 1.979 -4.616 6.063 1.00 1.52 C ATOM 458 CD2 TYR A 29 4.036 -4.499 4.863 1.00 1.60 C ATOM 459 CE1 TYR A 29 2.668 -4.589 7.260 1.00 1.82 C ATOM 460 CE2 TYR A 29 4.734 -4.472 6.055 1.00 1.88 C ATOM 461 CZ TYR A 29 4.046 -4.512 7.251 1.00 1.91 C ATOM 462 OH TYR A 29 4.742 -4.487 8.437 1.00 2.29 O ATOM 0 H TYR A 29 1.840 -5.938 0.985 1.00 1.17 H new ATOM 0 HA TYR A 29 1.885 -6.737 3.818 1.00 1.13 H new ATOM 0 HB2 TYR A 29 2.473 -4.096 2.779 1.00 1.13 H new ATOM 0 HB3 TYR A 29 0.960 -4.049 3.661 1.00 1.13 H new ATOM 0 HD1 TYR A 29 0.900 -4.670 6.072 1.00 1.52 H new ATOM 0 HD2 TYR A 29 4.577 -4.460 3.929 1.00 1.60 H new ATOM 0 HE1 TYR A 29 2.132 -4.628 8.197 1.00 1.82 H new ATOM 0 HE2 TYR A 29 5.813 -4.420 6.051 1.00 1.88 H new ATOM 0 HH TYR A 29 5.703 -4.432 8.251 1.00 2.29 H new ATOM 472 N ASP A 30 -0.618 -6.708 3.864 1.00 0.98 N ATOM 473 CA ASP A 30 -2.062 -6.896 3.801 1.00 0.90 C ATOM 474 C ASP A 30 -2.748 -5.897 4.720 1.00 0.84 C ATOM 475 O ASP A 30 -2.765 -6.072 5.939 1.00 0.96 O ATOM 476 CB ASP A 30 -2.437 -8.325 4.204 1.00 0.97 C ATOM 477 CG ASP A 30 -3.420 -8.963 3.242 1.00 1.07 C ATOM 478 OD1 ASP A 30 -2.978 -9.450 2.178 1.00 1.28 O ATOM 479 OD2 ASP A 30 -4.629 -9.005 3.552 1.00 1.34 O ATOM 0 H ASP A 30 -0.191 -7.022 4.736 1.00 0.98 H new ATOM 0 HA ASP A 30 -2.394 -6.730 2.776 1.00 0.90 H new ATOM 0 HB2 ASP A 30 -1.534 -8.934 4.252 1.00 0.97 H new ATOM 0 HB3 ASP A 30 -2.868 -8.315 5.205 1.00 0.97 H new ATOM 484 N LEU A 31 -3.284 -4.835 4.140 1.00 0.71 N ATOM 485 CA LEU A 31 -3.954 -3.800 4.916 1.00 0.66 C ATOM 486 C LEU A 31 -5.466 -3.930 4.781 1.00 0.58 C ATOM 487 O LEU A 31 -5.958 -4.534 3.837 1.00 0.59 O ATOM 488 CB LEU A 31 -3.490 -2.410 4.453 1.00 0.66 C ATOM 489 CG LEU A 31 -3.018 -1.452 5.558 1.00 0.77 C ATOM 490 CD1 LEU A 31 -4.196 -0.707 6.164 1.00 0.95 C ATOM 491 CD2 LEU A 31 -2.248 -2.199 6.639 1.00 0.98 C ATOM 0 H LEU A 31 -3.269 -4.666 3.134 1.00 0.71 H new ATOM 0 HA LEU A 31 -3.691 -3.924 5.967 1.00 0.66 H new ATOM 0 HB2 LEU A 31 -2.675 -2.540 3.741 1.00 0.66 H new ATOM 0 HB3 LEU A 31 -4.311 -1.936 3.915 1.00 0.66 H new ATOM 0 HG LEU A 31 -2.345 -0.724 5.104 1.00 0.77 H new ATOM 0 HD11 LEU A 31 -3.839 -0.035 6.944 1.00 0.95 H new ATOM 0 HD12 LEU A 31 -4.699 -0.129 5.389 1.00 0.95 H new ATOM 0 HD13 LEU A 31 -4.896 -1.423 6.595 1.00 0.95 H new ATOM 0 HD21 LEU A 31 -1.926 -1.497 7.408 1.00 0.98 H new ATOM 0 HD22 LEU A 31 -2.891 -2.957 7.086 1.00 0.98 H new ATOM 0 HD23 LEU A 31 -1.375 -2.679 6.198 1.00 0.98 H new ATOM 503 N LEU A 32 -6.197 -3.372 5.730 1.00 0.55 N ATOM 504 CA LEU A 32 -7.650 -3.431 5.709 1.00 0.52 C ATOM 505 C LEU A 32 -8.229 -2.200 5.022 1.00 0.43 C ATOM 506 O LEU A 32 -7.684 -1.106 5.141 1.00 0.43 O ATOM 507 CB LEU A 32 -8.188 -3.539 7.135 1.00 0.60 C ATOM 508 CG LEU A 32 -9.709 -3.492 7.258 1.00 0.73 C ATOM 509 CD1 LEU A 32 -10.267 -4.875 7.551 1.00 0.94 C ATOM 510 CD2 LEU A 32 -10.119 -2.501 8.335 1.00 0.85 C ATOM 0 H LEU A 32 -5.807 -2.871 6.528 1.00 0.55 H new ATOM 0 HA LEU A 32 -7.953 -4.313 5.145 1.00 0.52 H new ATOM 0 HB2 LEU A 32 -7.832 -4.472 7.571 1.00 0.60 H new ATOM 0 HB3 LEU A 32 -7.766 -2.728 7.729 1.00 0.60 H new ATOM 0 HG LEU A 32 -10.125 -3.158 6.308 1.00 0.73 H new ATOM 0 HD11 LEU A 32 -11.352 -4.819 7.635 1.00 0.94 H new ATOM 0 HD12 LEU A 32 -10.000 -5.554 6.741 1.00 0.94 H new ATOM 0 HD13 LEU A 32 -9.849 -5.245 8.487 1.00 0.94 H new ATOM 0 HD21 LEU A 32 -11.206 -2.477 8.413 1.00 0.85 H new ATOM 0 HD22 LEU A 32 -9.694 -2.806 9.291 1.00 0.85 H new ATOM 0 HD23 LEU A 32 -9.752 -1.508 8.075 1.00 0.85 H new ATOM 522 N VAL A 33 -9.328 -2.394 4.302 1.00 0.41 N ATOM 523 CA VAL A 33 -9.990 -1.303 3.593 1.00 0.36 C ATOM 524 C VAL A 33 -10.561 -0.278 4.571 1.00 0.41 C ATOM 525 O VAL A 33 -11.128 -0.640 5.606 1.00 0.51 O ATOM 526 CB VAL A 33 -11.114 -1.842 2.677 1.00 0.39 C ATOM 527 CG1 VAL A 33 -11.996 -0.718 2.151 1.00 0.49 C ATOM 528 CG2 VAL A 33 -10.515 -2.627 1.524 1.00 0.56 C ATOM 0 H VAL A 33 -9.782 -3.301 4.193 1.00 0.41 H new ATOM 0 HA VAL A 33 -9.240 -0.811 2.974 1.00 0.36 H new ATOM 0 HB VAL A 33 -11.743 -2.503 3.273 1.00 0.39 H new ATOM 0 HG11 VAL A 33 -12.774 -1.135 1.511 1.00 0.49 H new ATOM 0 HG12 VAL A 33 -12.457 -0.195 2.989 1.00 0.49 H new ATOM 0 HG13 VAL A 33 -11.390 -0.019 1.576 1.00 0.49 H new ATOM 0 HG21 VAL A 33 -11.314 -3.002 0.885 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -9.861 -1.977 0.943 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -9.939 -3.466 1.915 1.00 0.56 H new ATOM 538 N THR A 34 -10.403 0.995 4.231 1.00 0.39 N ATOM 539 CA THR A 34 -10.881 2.088 5.063 1.00 0.48 C ATOM 540 C THR A 34 -12.409 2.186 5.025 1.00 0.59 C ATOM 541 O THR A 34 -12.997 2.463 3.977 1.00 0.65 O ATOM 542 CB THR A 34 -10.264 3.422 4.605 1.00 0.51 C ATOM 543 OG1 THR A 34 -8.941 3.198 4.093 1.00 0.49 O ATOM 544 CG2 THR A 34 -10.201 4.413 5.755 1.00 0.64 C ATOM 0 H THR A 34 -9.941 1.297 3.373 1.00 0.39 H new ATOM 0 HA THR A 34 -10.573 1.883 6.088 1.00 0.48 H new ATOM 0 HB THR A 34 -10.896 3.838 3.820 1.00 0.51 H new ATOM 0 HG1 THR A 34 -8.998 2.746 3.225 1.00 0.49 H new ATOM 0 HG21 THR A 34 -9.761 5.347 5.406 1.00 0.64 H new ATOM 0 HG22 THR A 34 -11.208 4.602 6.128 1.00 0.64 H new ATOM 0 HG23 THR A 34 -9.589 4.001 6.557 1.00 0.64 H new ATOM 552 N PRO A 35 -13.068 1.953 6.173 1.00 0.73 N ATOM 553 CA PRO A 35 -14.526 1.998 6.284 1.00 0.89 C ATOM 554 C PRO A 35 -15.059 3.404 6.582 1.00 0.93 C ATOM 555 O PRO A 35 -14.477 4.398 6.146 1.00 0.93 O ATOM 556 CB PRO A 35 -14.771 1.058 7.461 1.00 1.07 C ATOM 557 CG PRO A 35 -13.604 1.282 8.361 1.00 1.07 C ATOM 558 CD PRO A 35 -12.436 1.623 7.467 1.00 0.82 C ATOM 0 HA PRO A 35 -15.033 1.717 5.361 1.00 0.89 H new ATOM 0 HB2 PRO A 35 -15.711 1.287 7.964 1.00 1.07 H new ATOM 0 HB3 PRO A 35 -14.828 0.019 7.135 1.00 1.07 H new ATOM 0 HG2 PRO A 35 -13.805 2.091 9.063 1.00 1.07 H new ATOM 0 HG3 PRO A 35 -13.393 0.391 8.953 1.00 1.07 H new ATOM 0 HD2 PRO A 35 -11.864 2.464 7.859 1.00 0.82 H new ATOM 0 HD3 PRO A 35 -11.746 0.785 7.373 1.00 0.82 H new ATOM 566 N GLN A 36 -16.175 3.465 7.319 1.00 1.02 N ATOM 567 CA GLN A 36 -16.817 4.727 7.703 1.00 1.13 C ATOM 568 C GLN A 36 -17.496 5.378 6.508 1.00 1.16 C ATOM 569 O GLN A 36 -17.511 6.604 6.381 1.00 1.24 O ATOM 570 CB GLN A 36 -15.817 5.705 8.332 1.00 1.16 C ATOM 571 CG GLN A 36 -15.259 5.245 9.669 1.00 1.38 C ATOM 572 CD GLN A 36 -14.458 6.331 10.363 1.00 1.95 C ATOM 573 OE1 GLN A 36 -14.741 7.519 10.219 1.00 2.47 O ATOM 574 NE2 GLN A 36 -13.450 5.934 11.122 1.00 2.33 N ATOM 0 H GLN A 36 -16.659 2.637 7.667 1.00 1.02 H new ATOM 0 HA GLN A 36 -17.572 4.486 8.451 1.00 1.13 H new ATOM 0 HB2 GLN A 36 -14.990 5.859 7.639 1.00 1.16 H new ATOM 0 HB3 GLN A 36 -16.304 6.671 8.466 1.00 1.16 H new ATOM 0 HG2 GLN A 36 -16.080 4.933 10.315 1.00 1.38 H new ATOM 0 HG3 GLN A 36 -14.625 4.372 9.515 1.00 1.38 H new ATOM 0 HE21 GLN A 36 -13.245 4.939 11.218 1.00 2.33 H new ATOM 0 HE22 GLN A 36 -12.878 6.622 11.611 1.00 2.33 H new ATOM 583 N GLN A 37 -18.080 4.560 5.644 1.00 1.15 N ATOM 584 CA GLN A 37 -18.762 5.069 4.463 1.00 1.23 C ATOM 585 C GLN A 37 -19.868 4.119 4.027 1.00 1.30 C ATOM 586 O GLN A 37 -21.046 4.365 4.287 1.00 1.64 O ATOM 587 CB GLN A 37 -17.770 5.280 3.320 1.00 1.16 C ATOM 588 CG GLN A 37 -17.742 6.703 2.787 1.00 1.33 C ATOM 589 CD GLN A 37 -19.049 7.124 2.138 1.00 1.52 C ATOM 590 OE1 GLN A 37 -19.801 6.297 1.619 1.00 1.79 O ATOM 591 NE2 GLN A 37 -19.321 8.419 2.152 1.00 1.82 N ATOM 0 H GLN A 37 -18.095 3.544 5.738 1.00 1.15 H new ATOM 0 HA GLN A 37 -19.211 6.029 4.719 1.00 1.23 H new ATOM 0 HB2 GLN A 37 -16.771 5.011 3.664 1.00 1.16 H new ATOM 0 HB3 GLN A 37 -18.020 4.601 2.504 1.00 1.16 H new ATOM 0 HG2 GLN A 37 -17.513 7.386 3.605 1.00 1.33 H new ATOM 0 HG3 GLN A 37 -16.936 6.796 2.059 1.00 1.33 H new ATOM 0 HE21 GLN A 37 -18.672 9.072 2.592 1.00 1.82 H new ATOM 0 HE22 GLN A 37 -20.179 8.764 1.723 1.00 1.82 H new ATOM 600 N GLY A 38 -19.489 3.037 3.366 1.00 1.14 N ATOM 601 CA GLY A 38 -20.472 2.081 2.909 1.00 1.21 C ATOM 602 C GLY A 38 -19.905 0.689 2.798 1.00 1.14 C ATOM 603 O GLY A 38 -20.083 0.037 1.771 1.00 1.17 O ATOM 0 H GLY A 38 -18.522 2.805 3.139 1.00 1.14 H new ATOM 0 HA2 GLY A 38 -21.316 2.073 3.598 1.00 1.21 H new ATOM 0 HA3 GLY A 38 -20.856 2.393 1.938 1.00 1.21 H new ATOM 607 N ASN A 39 -19.228 0.246 3.866 1.00 1.13 N ATOM 608 CA ASN A 39 -18.601 -1.087 3.961 1.00 1.11 C ATOM 609 C ASN A 39 -17.772 -1.454 2.721 1.00 0.97 C ATOM 610 O ASN A 39 -16.556 -1.269 2.718 1.00 0.89 O ATOM 611 CB ASN A 39 -19.621 -2.197 4.315 1.00 1.30 C ATOM 612 CG ASN A 39 -20.913 -2.168 3.510 1.00 1.40 C ATOM 613 OD1 ASN A 39 -20.993 -2.737 2.426 1.00 1.84 O ATOM 614 ND2 ASN A 39 -21.937 -1.518 4.046 1.00 1.70 N ATOM 0 H ASN A 39 -19.096 0.811 4.705 1.00 1.13 H new ATOM 0 HA ASN A 39 -17.899 -1.019 4.792 1.00 1.11 H new ATOM 0 HB2 ASN A 39 -19.144 -3.166 4.172 1.00 1.30 H new ATOM 0 HB3 ASN A 39 -19.869 -2.117 5.373 1.00 1.30 H new ATOM 0 HD21 ASN A 39 -22.830 -1.479 3.555 1.00 1.70 H new ATOM 0 HD22 ASN A 39 -21.832 -1.057 4.950 1.00 1.70 H new ATOM 621 N SER A 40 -18.415 -1.979 1.683 1.00 1.02 N ATOM 622 CA SER A 40 -17.721 -2.346 0.453 1.00 0.95 C ATOM 623 C SER A 40 -17.292 -1.097 -0.325 1.00 0.87 C ATOM 624 O SER A 40 -16.524 -1.181 -1.285 1.00 0.82 O ATOM 625 CB SER A 40 -18.623 -3.230 -0.411 1.00 1.07 C ATOM 626 OG SER A 40 -19.147 -4.317 0.341 1.00 1.30 O ATOM 0 H SER A 40 -19.419 -2.160 1.669 1.00 1.02 H new ATOM 0 HA SER A 40 -16.823 -2.905 0.715 1.00 0.95 H new ATOM 0 HB2 SER A 40 -19.442 -2.635 -0.814 1.00 1.07 H new ATOM 0 HB3 SER A 40 -18.057 -3.611 -1.261 1.00 1.07 H new ATOM 0 HG SER A 40 -19.817 -3.984 0.974 1.00 1.30 H new ATOM 632 N GLU A 41 -17.809 0.056 0.091 1.00 0.92 N ATOM 633 CA GLU A 41 -17.478 1.329 -0.535 1.00 0.88 C ATOM 634 C GLU A 41 -16.474 2.088 0.330 1.00 0.81 C ATOM 635 O GLU A 41 -16.836 2.647 1.369 1.00 0.90 O ATOM 636 CB GLU A 41 -18.744 2.165 -0.734 1.00 1.02 C ATOM 637 CG GLU A 41 -19.775 1.506 -1.638 1.00 1.34 C ATOM 638 CD GLU A 41 -21.097 2.247 -1.650 1.00 1.49 C ATOM 639 OE1 GLU A 41 -21.272 3.149 -2.492 1.00 1.73 O ATOM 640 OE2 GLU A 41 -21.971 1.928 -0.821 1.00 1.83 O ATOM 0 H GLU A 41 -18.466 0.132 0.868 1.00 0.92 H new ATOM 0 HA GLU A 41 -17.031 1.138 -1.510 1.00 0.88 H new ATOM 0 HB2 GLU A 41 -19.197 2.359 0.238 1.00 1.02 H new ATOM 0 HB3 GLU A 41 -18.468 3.131 -1.156 1.00 1.02 H new ATOM 0 HG2 GLU A 41 -19.382 1.454 -2.654 1.00 1.34 H new ATOM 0 HG3 GLU A 41 -19.940 0.481 -1.307 1.00 1.34 H new ATOM 647 N PRO A 42 -15.194 2.089 -0.073 1.00 0.69 N ATOM 648 CA PRO A 42 -14.124 2.769 0.661 1.00 0.67 C ATOM 649 C PRO A 42 -14.169 4.286 0.493 1.00 0.69 C ATOM 650 O PRO A 42 -14.628 4.794 -0.531 1.00 0.77 O ATOM 651 CB PRO A 42 -12.836 2.211 0.037 1.00 0.60 C ATOM 652 CG PRO A 42 -13.263 1.116 -0.888 1.00 0.62 C ATOM 653 CD PRO A 42 -14.679 1.418 -1.270 1.00 0.64 C ATOM 0 HA PRO A 42 -14.207 2.594 1.734 1.00 0.67 H new ATOM 0 HB2 PRO A 42 -12.296 2.989 -0.503 1.00 0.60 H new ATOM 0 HB3 PRO A 42 -12.163 1.831 0.806 1.00 0.60 H new ATOM 0 HG2 PRO A 42 -12.622 1.079 -1.769 1.00 0.62 H new ATOM 0 HG3 PRO A 42 -13.191 0.144 -0.400 1.00 0.62 H new ATOM 0 HD2 PRO A 42 -14.734 2.059 -2.150 1.00 0.64 H new ATOM 0 HD3 PRO A 42 -15.239 0.512 -1.500 1.00 0.64 H new ATOM 661 N VAL A 43 -13.677 5.002 1.500 1.00 0.67 N ATOM 662 CA VAL A 43 -13.652 6.462 1.472 1.00 0.72 C ATOM 663 C VAL A 43 -12.653 6.974 0.438 1.00 0.65 C ATOM 664 O VAL A 43 -11.831 6.214 -0.077 1.00 0.58 O ATOM 665 CB VAL A 43 -13.295 7.058 2.853 1.00 0.76 C ATOM 666 CG1 VAL A 43 -14.387 6.765 3.868 1.00 0.90 C ATOM 667 CG2 VAL A 43 -11.955 6.531 3.344 1.00 0.67 C ATOM 0 H VAL A 43 -13.288 4.593 2.350 1.00 0.67 H new ATOM 0 HA VAL A 43 -14.657 6.785 1.200 1.00 0.72 H new ATOM 0 HB VAL A 43 -13.215 8.139 2.739 1.00 0.76 H new ATOM 0 HG11 VAL A 43 -14.113 7.194 4.832 1.00 0.90 H new ATOM 0 HG12 VAL A 43 -15.326 7.203 3.529 1.00 0.90 H new ATOM 0 HG13 VAL A 43 -14.507 5.687 3.972 1.00 0.90 H new ATOM 0 HG21 VAL A 43 -11.728 6.966 4.317 1.00 0.67 H new ATOM 0 HG22 VAL A 43 -12.002 5.446 3.433 1.00 0.67 H new ATOM 0 HG23 VAL A 43 -11.174 6.803 2.634 1.00 0.67 H new ATOM 677 N VAL A 44 -12.703 8.271 0.162 1.00 0.72 N ATOM 678 CA VAL A 44 -11.810 8.888 -0.822 1.00 0.71 C ATOM 679 C VAL A 44 -10.364 8.957 -0.329 1.00 0.66 C ATOM 680 O VAL A 44 -9.473 9.350 -1.078 1.00 0.68 O ATOM 681 CB VAL A 44 -12.278 10.307 -1.209 1.00 0.85 C ATOM 682 CG1 VAL A 44 -13.504 10.239 -2.112 1.00 1.06 C ATOM 683 CG2 VAL A 44 -12.564 11.140 0.034 1.00 0.98 C ATOM 0 H VAL A 44 -13.353 8.921 0.605 1.00 0.72 H new ATOM 0 HA VAL A 44 -11.849 8.245 -1.701 1.00 0.71 H new ATOM 0 HB VAL A 44 -11.475 10.794 -1.762 1.00 0.85 H new ATOM 0 HG11 VAL A 44 -13.819 11.249 -2.374 1.00 1.06 H new ATOM 0 HG12 VAL A 44 -13.257 9.689 -3.020 1.00 1.06 H new ATOM 0 HG13 VAL A 44 -14.314 9.731 -1.589 1.00 1.06 H new ATOM 0 HG21 VAL A 44 -12.892 12.136 -0.263 1.00 0.98 H new ATOM 0 HG22 VAL A 44 -13.347 10.660 0.621 1.00 0.98 H new ATOM 0 HG23 VAL A 44 -11.658 11.221 0.634 1.00 0.98 H new ATOM 693 N GLN A 45 -10.133 8.572 0.921 1.00 0.66 N ATOM 694 CA GLN A 45 -8.791 8.595 1.494 1.00 0.65 C ATOM 695 C GLN A 45 -8.267 7.178 1.685 1.00 0.57 C ATOM 696 O GLN A 45 -7.166 6.977 2.195 1.00 0.62 O ATOM 697 CB GLN A 45 -8.789 9.325 2.841 1.00 0.74 C ATOM 698 CG GLN A 45 -9.606 10.601 2.840 1.00 1.07 C ATOM 699 CD GLN A 45 -9.125 11.611 3.863 1.00 1.44 C ATOM 700 OE1 GLN A 45 -8.624 11.252 4.931 1.00 1.88 O ATOM 701 NE2 GLN A 45 -9.263 12.880 3.533 1.00 1.94 N ATOM 0 H GLN A 45 -10.857 8.240 1.558 1.00 0.66 H new ATOM 0 HA GLN A 45 -8.140 9.127 0.800 1.00 0.65 H new ATOM 0 HB2 GLN A 45 -9.177 8.655 3.608 1.00 0.74 H new ATOM 0 HB3 GLN A 45 -7.761 9.562 3.115 1.00 0.74 H new ATOM 0 HG2 GLN A 45 -9.567 11.050 1.848 1.00 1.07 H new ATOM 0 HG3 GLN A 45 -10.650 10.358 3.040 1.00 1.07 H new ATOM 0 HE21 GLN A 45 -9.683 13.131 2.638 1.00 1.94 H new ATOM 0 HE22 GLN A 45 -8.949 13.610 4.172 1.00 1.94 H new ATOM 710 N ASP A 46 -9.062 6.204 1.255 1.00 0.49 N ATOM 711 CA ASP A 46 -8.712 4.789 1.390 1.00 0.42 C ATOM 712 C ASP A 46 -7.399 4.457 0.691 1.00 0.41 C ATOM 713 O ASP A 46 -6.475 3.939 1.312 1.00 0.46 O ATOM 714 CB ASP A 46 -9.831 3.916 0.821 1.00 0.38 C ATOM 715 CG ASP A 46 -9.445 2.451 0.736 1.00 0.31 C ATOM 716 OD1 ASP A 46 -9.406 1.787 1.792 1.00 0.32 O ATOM 717 OD2 ASP A 46 -9.187 1.968 -0.393 1.00 0.31 O ATOM 0 H ASP A 46 -9.963 6.368 0.805 1.00 0.49 H new ATOM 0 HA ASP A 46 -8.586 4.584 2.453 1.00 0.42 H new ATOM 0 HB2 ASP A 46 -10.719 4.018 1.445 1.00 0.38 H new ATOM 0 HB3 ASP A 46 -10.097 4.276 -0.173 1.00 0.38 H new ATOM 722 N LEU A 47 -7.321 4.789 -0.590 1.00 0.46 N ATOM 723 CA LEU A 47 -6.133 4.520 -1.406 1.00 0.54 C ATOM 724 C LEU A 47 -4.849 5.024 -0.739 1.00 0.56 C ATOM 725 O LEU A 47 -3.795 4.399 -0.850 1.00 0.65 O ATOM 726 CB LEU A 47 -6.281 5.170 -2.788 1.00 0.66 C ATOM 727 CG LEU A 47 -6.221 6.701 -2.805 1.00 0.88 C ATOM 728 CD1 LEU A 47 -5.691 7.200 -4.137 1.00 1.41 C ATOM 729 CD2 LEU A 47 -7.591 7.300 -2.531 1.00 1.00 C ATOM 0 H LEU A 47 -8.075 5.252 -1.097 1.00 0.46 H new ATOM 0 HA LEU A 47 -6.054 3.438 -1.511 1.00 0.54 H new ATOM 0 HB2 LEU A 47 -5.495 4.785 -3.438 1.00 0.66 H new ATOM 0 HB3 LEU A 47 -7.232 4.856 -3.218 1.00 0.66 H new ATOM 0 HG LEU A 47 -5.540 7.019 -2.015 1.00 0.88 H new ATOM 0 HD11 LEU A 47 -5.656 8.289 -4.130 1.00 1.41 H new ATOM 0 HD12 LEU A 47 -4.688 6.806 -4.300 1.00 1.41 H new ATOM 0 HD13 LEU A 47 -6.348 6.864 -4.939 1.00 1.41 H new ATOM 0 HD21 LEU A 47 -7.523 8.388 -2.548 1.00 1.00 H new ATOM 0 HD22 LEU A 47 -8.293 6.968 -3.296 1.00 1.00 H new ATOM 0 HD23 LEU A 47 -7.941 6.974 -1.552 1.00 1.00 H new ATOM 741 N ALA A 48 -4.945 6.152 -0.049 1.00 0.58 N ATOM 742 CA ALA A 48 -3.792 6.731 0.619 1.00 0.69 C ATOM 743 C ALA A 48 -3.532 6.050 1.955 1.00 0.67 C ATOM 744 O ALA A 48 -2.393 5.716 2.279 1.00 0.76 O ATOM 745 CB ALA A 48 -4.002 8.223 0.817 1.00 0.83 C ATOM 0 H ALA A 48 -5.809 6.682 0.062 1.00 0.58 H new ATOM 0 HA ALA A 48 -2.917 6.575 -0.012 1.00 0.69 H new ATOM 0 HB1 ALA A 48 -3.133 8.649 1.318 1.00 0.83 H new ATOM 0 HB2 ALA A 48 -4.134 8.704 -0.152 1.00 0.83 H new ATOM 0 HB3 ALA A 48 -4.890 8.388 1.427 1.00 0.83 H new ATOM 751 N GLN A 49 -4.600 5.835 2.713 1.00 0.60 N ATOM 752 CA GLN A 49 -4.510 5.208 4.026 1.00 0.62 C ATOM 753 C GLN A 49 -3.967 3.786 3.931 1.00 0.59 C ATOM 754 O GLN A 49 -3.188 3.361 4.783 1.00 0.66 O ATOM 755 CB GLN A 49 -5.884 5.203 4.703 1.00 0.62 C ATOM 756 CG GLN A 49 -5.860 4.710 6.144 1.00 0.95 C ATOM 757 CD GLN A 49 -5.632 5.820 7.158 1.00 1.27 C ATOM 758 OE1 GLN A 49 -6.119 5.746 8.285 1.00 1.86 O ATOM 759 NE2 GLN A 49 -4.890 6.850 6.775 1.00 1.43 N ATOM 0 H GLN A 49 -5.549 6.089 2.437 1.00 0.60 H new ATOM 0 HA GLN A 49 -3.814 5.792 4.628 1.00 0.62 H new ATOM 0 HB2 GLN A 49 -6.292 6.213 4.682 1.00 0.62 H new ATOM 0 HB3 GLN A 49 -6.561 4.573 4.125 1.00 0.62 H new ATOM 0 HG2 GLN A 49 -6.805 4.213 6.366 1.00 0.95 H new ATOM 0 HG3 GLN A 49 -5.074 3.963 6.252 1.00 0.95 H new ATOM 0 HE21 GLN A 49 -4.503 6.877 5.832 1.00 1.43 H new ATOM 0 HE22 GLN A 49 -4.707 7.616 7.424 1.00 1.43 H new ATOM 768 N LEU A 50 -4.369 3.062 2.892 1.00 0.52 N ATOM 769 CA LEU A 50 -3.926 1.683 2.692 1.00 0.53 C ATOM 770 C LEU A 50 -2.407 1.584 2.647 1.00 0.65 C ATOM 771 O LEU A 50 -1.808 0.743 3.313 1.00 0.72 O ATOM 772 CB LEU A 50 -4.509 1.121 1.397 1.00 0.46 C ATOM 773 CG LEU A 50 -6.032 1.018 1.355 1.00 0.36 C ATOM 774 CD1 LEU A 50 -6.488 0.391 0.050 1.00 0.35 C ATOM 775 CD2 LEU A 50 -6.548 0.219 2.538 1.00 0.40 C ATOM 0 H LEU A 50 -5.003 3.407 2.172 1.00 0.52 H new ATOM 0 HA LEU A 50 -4.284 1.099 3.540 1.00 0.53 H new ATOM 0 HB2 LEU A 50 -4.181 1.749 0.568 1.00 0.46 H new ATOM 0 HB3 LEU A 50 -4.090 0.129 1.230 1.00 0.46 H new ATOM 0 HG LEU A 50 -6.444 2.025 1.416 1.00 0.36 H new ATOM 0 HD11 LEU A 50 -7.576 0.326 0.038 1.00 0.35 H new ATOM 0 HD12 LEU A 50 -6.152 1.005 -0.786 1.00 0.35 H new ATOM 0 HD13 LEU A 50 -6.064 -0.609 -0.041 1.00 0.35 H new ATOM 0 HD21 LEU A 50 -7.635 0.158 2.489 1.00 0.40 H new ATOM 0 HD22 LEU A 50 -6.126 -0.786 2.510 1.00 0.40 H new ATOM 0 HD23 LEU A 50 -6.254 0.711 3.465 1.00 0.40 H new ATOM 787 N VAL A 51 -1.791 2.449 1.861 1.00 0.70 N ATOM 788 CA VAL A 51 -0.343 2.453 1.718 1.00 0.84 C ATOM 789 C VAL A 51 0.329 3.088 2.933 1.00 0.90 C ATOM 790 O VAL A 51 1.376 2.627 3.395 1.00 1.01 O ATOM 791 CB VAL A 51 0.081 3.205 0.441 1.00 0.90 C ATOM 792 CG1 VAL A 51 1.593 3.234 0.304 1.00 1.56 C ATOM 793 CG2 VAL A 51 -0.555 2.566 -0.783 1.00 1.37 C ATOM 0 H VAL A 51 -2.271 3.160 1.310 1.00 0.70 H new ATOM 0 HA VAL A 51 -0.020 1.415 1.642 1.00 0.84 H new ATOM 0 HB VAL A 51 -0.269 4.234 0.518 1.00 0.90 H new ATOM 0 HG11 VAL A 51 1.866 3.770 -0.605 1.00 1.56 H new ATOM 0 HG12 VAL A 51 2.027 3.739 1.167 1.00 1.56 H new ATOM 0 HG13 VAL A 51 1.973 2.214 0.251 1.00 1.56 H new ATOM 0 HG21 VAL A 51 -0.247 3.107 -1.678 1.00 1.37 H new ATOM 0 HG22 VAL A 51 -0.234 1.527 -0.859 1.00 1.37 H new ATOM 0 HG23 VAL A 51 -1.640 2.605 -0.691 1.00 1.37 H new ATOM 803 N GLU A 52 -0.293 4.134 3.452 1.00 0.86 N ATOM 804 CA GLU A 52 0.237 4.851 4.602 1.00 0.93 C ATOM 805 C GLU A 52 0.273 3.968 5.849 1.00 0.95 C ATOM 806 O GLU A 52 1.336 3.740 6.427 1.00 1.07 O ATOM 807 CB GLU A 52 -0.610 6.095 4.868 1.00 0.91 C ATOM 808 CG GLU A 52 -0.125 6.934 6.035 1.00 1.13 C ATOM 809 CD GLU A 52 -0.874 8.241 6.152 1.00 1.17 C ATOM 810 OE1 GLU A 52 -2.106 8.209 6.340 1.00 1.37 O ATOM 811 OE2 GLU A 52 -0.229 9.310 6.071 1.00 1.40 O ATOM 0 H GLU A 52 -1.171 4.508 3.093 1.00 0.86 H new ATOM 0 HA GLU A 52 1.262 5.145 4.373 1.00 0.93 H new ATOM 0 HB2 GLU A 52 -0.622 6.713 3.970 1.00 0.91 H new ATOM 0 HB3 GLU A 52 -1.639 5.788 5.057 1.00 0.91 H new ATOM 0 HG2 GLU A 52 -0.240 6.368 6.959 1.00 1.13 H new ATOM 0 HG3 GLU A 52 0.939 7.137 5.916 1.00 1.13 H new ATOM 818 N GLU A 53 -0.885 3.438 6.228 1.00 0.86 N ATOM 819 CA GLU A 53 -1.012 2.603 7.422 1.00 0.89 C ATOM 820 C GLU A 53 -0.335 1.242 7.237 1.00 0.93 C ATOM 821 O GLU A 53 -0.210 0.466 8.179 1.00 1.01 O ATOM 822 CB GLU A 53 -2.497 2.422 7.767 1.00 0.85 C ATOM 823 CG GLU A 53 -2.755 1.759 9.114 1.00 1.33 C ATOM 824 CD GLU A 53 -3.688 2.559 10.001 1.00 1.45 C ATOM 825 OE1 GLU A 53 -3.243 3.574 10.579 1.00 1.99 O ATOM 826 OE2 GLU A 53 -4.866 2.170 10.141 1.00 1.81 O ATOM 0 H GLU A 53 -1.759 3.573 5.720 1.00 0.86 H new ATOM 0 HA GLU A 53 -0.505 3.107 8.245 1.00 0.89 H new ATOM 0 HB2 GLU A 53 -2.981 3.399 7.758 1.00 0.85 H new ATOM 0 HB3 GLU A 53 -2.969 1.825 6.986 1.00 0.85 H new ATOM 0 HG2 GLU A 53 -3.180 0.769 8.949 1.00 1.33 H new ATOM 0 HG3 GLU A 53 -1.806 1.617 9.630 1.00 1.33 H new ATOM 833 N ALA A 54 0.120 0.962 6.023 1.00 0.93 N ATOM 834 CA ALA A 54 0.783 -0.305 5.732 1.00 1.00 C ATOM 835 C ALA A 54 2.176 -0.375 6.352 1.00 1.15 C ATOM 836 O ALA A 54 2.811 -1.427 6.328 1.00 1.28 O ATOM 837 CB ALA A 54 0.870 -0.531 4.233 1.00 1.06 C ATOM 0 H ALA A 54 0.043 1.592 5.225 1.00 0.93 H new ATOM 0 HA ALA A 54 0.179 -1.094 6.179 1.00 1.00 H new ATOM 0 HB1 ALA A 54 1.367 -1.481 4.037 1.00 1.06 H new ATOM 0 HB2 ALA A 54 -0.134 -0.553 3.809 1.00 1.06 H new ATOM 0 HB3 ALA A 54 1.439 0.278 3.775 1.00 1.06 H new ATOM 843 N THR A 55 2.652 0.745 6.893 1.00 1.21 N ATOM 844 CA THR A 55 3.979 0.798 7.512 1.00 1.38 C ATOM 845 C THR A 55 4.178 2.079 8.324 1.00 1.40 C ATOM 846 O THR A 55 4.961 2.107 9.274 1.00 1.55 O ATOM 847 CB THR A 55 5.097 0.726 6.451 1.00 1.60 C ATOM 848 OG1 THR A 55 4.559 1.005 5.148 1.00 1.81 O ATOM 849 CG2 THR A 55 5.769 -0.638 6.447 1.00 1.77 C ATOM 0 H THR A 55 2.141 1.628 6.916 1.00 1.21 H new ATOM 0 HA THR A 55 4.037 -0.065 8.175 1.00 1.38 H new ATOM 0 HB THR A 55 5.847 1.475 6.704 1.00 1.60 H new ATOM 0 HG1 THR A 55 3.826 1.651 5.228 1.00 1.81 H new ATOM 0 HG21 THR A 55 6.552 -0.656 5.689 1.00 1.77 H new ATOM 0 HG22 THR A 55 6.208 -0.830 7.426 1.00 1.77 H new ATOM 0 HG23 THR A 55 5.030 -1.407 6.224 1.00 1.77 H new ATOM 857 N GLY A 56 3.458 3.125 7.949 1.00 1.30 N ATOM 858 CA GLY A 56 3.592 4.405 8.616 1.00 1.34 C ATOM 859 C GLY A 56 4.319 5.392 7.729 1.00 1.42 C ATOM 860 O GLY A 56 5.204 6.123 8.176 1.00 1.55 O ATOM 0 H GLY A 56 2.778 3.110 7.189 1.00 1.30 H new ATOM 0 HA2 GLY A 56 2.606 4.794 8.871 1.00 1.34 H new ATOM 0 HA3 GLY A 56 4.136 4.279 9.552 1.00 1.34 H new ATOM 864 N VAL A 57 3.936 5.402 6.458 1.00 1.37 N ATOM 865 CA VAL A 57 4.555 6.273 5.471 1.00 1.46 C ATOM 866 C VAL A 57 3.604 7.383 5.050 1.00 1.37 C ATOM 867 O VAL A 57 2.561 7.112 4.457 1.00 1.26 O ATOM 868 CB VAL A 57 4.971 5.490 4.209 1.00 1.55 C ATOM 869 CG1 VAL A 57 6.133 6.178 3.508 1.00 1.70 C ATOM 870 CG2 VAL A 57 5.321 4.052 4.552 1.00 1.63 C ATOM 0 H VAL A 57 3.193 4.811 6.086 1.00 1.37 H new ATOM 0 HA VAL A 57 5.440 6.700 5.943 1.00 1.46 H new ATOM 0 HB VAL A 57 4.122 5.474 3.525 1.00 1.55 H new ATOM 0 HG11 VAL A 57 6.411 5.609 2.621 1.00 1.70 H new ATOM 0 HG12 VAL A 57 5.837 7.185 3.216 1.00 1.70 H new ATOM 0 HG13 VAL A 57 6.985 6.233 4.185 1.00 1.70 H new ATOM 0 HG21 VAL A 57 5.611 3.522 3.645 1.00 1.63 H new ATOM 0 HG22 VAL A 57 6.149 4.038 5.261 1.00 1.63 H new ATOM 0 HG23 VAL A 57 4.454 3.563 4.997 1.00 1.63 H new ATOM 880 N PRO A 58 3.950 8.644 5.343 1.00 1.45 N ATOM 881 CA PRO A 58 3.116 9.790 4.972 1.00 1.41 C ATOM 882 C PRO A 58 2.976 9.908 3.456 1.00 1.35 C ATOM 883 O PRO A 58 3.849 9.457 2.714 1.00 1.39 O ATOM 884 CB PRO A 58 3.873 10.995 5.539 1.00 1.56 C ATOM 885 CG PRO A 58 5.274 10.520 5.736 1.00 1.67 C ATOM 886 CD PRO A 58 5.176 9.054 6.047 1.00 1.63 C ATOM 0 HA PRO A 58 2.100 9.705 5.358 1.00 1.41 H new ATOM 0 HB2 PRO A 58 3.837 11.841 4.853 1.00 1.56 H new ATOM 0 HB3 PRO A 58 3.434 11.329 6.479 1.00 1.56 H new ATOM 0 HG2 PRO A 58 5.873 10.689 4.841 1.00 1.67 H new ATOM 0 HG3 PRO A 58 5.758 11.060 6.550 1.00 1.67 H new ATOM 0 HD2 PRO A 58 6.048 8.507 5.689 1.00 1.63 H new ATOM 0 HD3 PRO A 58 5.104 8.873 7.120 1.00 1.63 H new ATOM 894 N LEU A 59 1.887 10.528 3.009 1.00 1.29 N ATOM 895 CA LEU A 59 1.607 10.700 1.578 1.00 1.26 C ATOM 896 C LEU A 59 2.816 11.215 0.777 1.00 1.34 C ATOM 897 O LEU A 59 3.179 10.606 -0.225 1.00 1.35 O ATOM 898 CB LEU A 59 0.403 11.629 1.368 1.00 1.25 C ATOM 899 CG LEU A 59 -0.949 10.925 1.207 1.00 1.25 C ATOM 900 CD1 LEU A 59 -2.035 11.926 0.849 1.00 1.27 C ATOM 901 CD2 LEU A 59 -0.869 9.834 0.149 1.00 1.54 C ATOM 0 H LEU A 59 1.174 10.925 3.621 1.00 1.29 H new ATOM 0 HA LEU A 59 1.375 9.706 1.195 1.00 1.26 H new ATOM 0 HB2 LEU A 59 0.340 12.311 2.216 1.00 1.25 H new ATOM 0 HB3 LEU A 59 0.585 12.237 0.482 1.00 1.25 H new ATOM 0 HG LEU A 59 -1.203 10.462 2.160 1.00 1.25 H new ATOM 0 HD11 LEU A 59 -2.987 11.406 0.739 1.00 1.27 H new ATOM 0 HD12 LEU A 59 -2.118 12.672 1.640 1.00 1.27 H new ATOM 0 HD13 LEU A 59 -1.780 12.419 -0.089 1.00 1.27 H new ATOM 0 HD21 LEU A 59 -1.840 9.349 0.053 1.00 1.54 H new ATOM 0 HD22 LEU A 59 -0.587 10.275 -0.807 1.00 1.54 H new ATOM 0 HD23 LEU A 59 -0.122 9.096 0.443 1.00 1.54 H new ATOM 913 N PRO A 60 3.465 12.328 1.189 1.00 1.42 N ATOM 914 CA PRO A 60 4.626 12.882 0.463 1.00 1.52 C ATOM 915 C PRO A 60 5.866 11.973 0.459 1.00 1.60 C ATOM 916 O PRO A 60 6.891 12.328 -0.121 1.00 1.79 O ATOM 917 CB PRO A 60 4.930 14.182 1.216 1.00 1.61 C ATOM 918 CG PRO A 60 4.346 13.985 2.568 1.00 1.56 C ATOM 919 CD PRO A 60 3.113 13.161 2.355 1.00 1.46 C ATOM 0 HA PRO A 60 4.390 13.009 -0.594 1.00 1.52 H new ATOM 0 HB2 PRO A 60 6.003 14.365 1.272 1.00 1.61 H new ATOM 0 HB3 PRO A 60 4.486 15.042 0.715 1.00 1.61 H new ATOM 0 HG2 PRO A 60 5.048 13.477 3.229 1.00 1.56 H new ATOM 0 HG3 PRO A 60 4.104 14.940 3.034 1.00 1.56 H new ATOM 0 HD2 PRO A 60 2.878 12.553 3.229 1.00 1.46 H new ATOM 0 HD3 PRO A 60 2.241 13.784 2.157 1.00 1.46 H new ATOM 927 N PHE A 61 5.786 10.816 1.105 1.00 1.55 N ATOM 928 CA PHE A 61 6.918 9.895 1.144 1.00 1.63 C ATOM 929 C PHE A 61 6.663 8.675 0.268 1.00 1.59 C ATOM 930 O PHE A 61 7.572 7.885 0.002 1.00 1.70 O ATOM 931 CB PHE A 61 7.205 9.456 2.578 1.00 1.66 C ATOM 932 CG PHE A 61 8.234 10.300 3.278 1.00 1.80 C ATOM 933 CD1 PHE A 61 8.043 11.664 3.429 1.00 1.95 C ATOM 934 CD2 PHE A 61 9.392 9.730 3.780 1.00 2.00 C ATOM 935 CE1 PHE A 61 8.981 12.441 4.078 1.00 2.23 C ATOM 936 CE2 PHE A 61 10.335 10.502 4.430 1.00 2.25 C ATOM 937 CZ PHE A 61 10.131 11.861 4.575 1.00 2.34 C ATOM 0 H PHE A 61 4.957 10.494 1.605 1.00 1.55 H new ATOM 0 HA PHE A 61 7.789 10.423 0.755 1.00 1.63 H new ATOM 0 HB2 PHE A 61 6.277 9.484 3.149 1.00 1.66 H new ATOM 0 HB3 PHE A 61 7.543 8.420 2.570 1.00 1.66 H new ATOM 0 HD1 PHE A 61 7.150 12.125 3.034 1.00 1.95 H new ATOM 0 HD2 PHE A 61 9.560 8.670 3.662 1.00 2.00 H new ATOM 0 HE1 PHE A 61 8.816 13.502 4.197 1.00 2.23 H new ATOM 0 HE2 PHE A 61 11.230 10.044 4.824 1.00 2.25 H new ATOM 0 HZ PHE A 61 10.870 12.468 5.076 1.00 2.34 H new ATOM 947 N GLN A 62 5.428 8.526 -0.177 1.00 1.47 N ATOM 948 CA GLN A 62 5.056 7.401 -1.019 1.00 1.44 C ATOM 949 C GLN A 62 4.549 7.893 -2.366 1.00 1.40 C ATOM 950 O GLN A 62 4.566 9.092 -2.645 1.00 1.55 O ATOM 951 CB GLN A 62 3.984 6.544 -0.332 1.00 1.38 C ATOM 952 CG GLN A 62 2.985 7.353 0.484 1.00 1.35 C ATOM 953 CD GLN A 62 1.556 6.887 0.297 1.00 1.64 C ATOM 954 OE1 GLN A 62 1.153 6.493 -0.799 1.00 2.14 O ATOM 955 NE2 GLN A 62 0.782 6.920 1.372 1.00 1.66 N ATOM 0 H GLN A 62 4.665 9.170 0.030 1.00 1.47 H new ATOM 0 HA GLN A 62 5.941 6.786 -1.180 1.00 1.44 H new ATOM 0 HB2 GLN A 62 3.445 5.975 -1.090 1.00 1.38 H new ATOM 0 HB3 GLN A 62 4.473 5.821 0.321 1.00 1.38 H new ATOM 0 HG2 GLN A 62 3.248 7.287 1.540 1.00 1.35 H new ATOM 0 HG3 GLN A 62 3.059 8.403 0.202 1.00 1.35 H new ATOM 0 HE21 GLN A 62 1.157 7.254 2.260 1.00 1.66 H new ATOM 0 HE22 GLN A 62 -0.188 6.612 1.311 1.00 1.66 H new ATOM 964 N LYS A 63 4.114 6.962 -3.199 1.00 1.42 N ATOM 965 CA LYS A 63 3.596 7.294 -4.513 1.00 1.38 C ATOM 966 C LYS A 63 2.656 6.196 -4.989 1.00 1.27 C ATOM 967 O LYS A 63 3.025 5.361 -5.816 1.00 1.31 O ATOM 968 CB LYS A 63 4.740 7.490 -5.512 1.00 1.51 C ATOM 969 CG LYS A 63 4.338 8.270 -6.754 1.00 1.64 C ATOM 970 CD LYS A 63 5.494 8.398 -7.732 1.00 1.73 C ATOM 971 CE LYS A 63 5.184 9.390 -8.841 1.00 1.94 C ATOM 972 NZ LYS A 63 4.980 10.766 -8.317 1.00 2.29 N ATOM 0 H LYS A 63 4.110 5.965 -2.985 1.00 1.42 H new ATOM 0 HA LYS A 63 3.042 8.230 -4.445 1.00 1.38 H new ATOM 0 HB2 LYS A 63 5.559 8.011 -5.016 1.00 1.51 H new ATOM 0 HB3 LYS A 63 5.119 6.513 -5.813 1.00 1.51 H new ATOM 0 HG2 LYS A 63 3.501 7.771 -7.242 1.00 1.64 H new ATOM 0 HG3 LYS A 63 3.993 9.263 -6.465 1.00 1.64 H new ATOM 0 HD2 LYS A 63 6.389 8.717 -7.198 1.00 1.73 H new ATOM 0 HD3 LYS A 63 5.713 7.423 -8.167 1.00 1.73 H new ATOM 0 HE2 LYS A 63 6.001 9.394 -9.562 1.00 1.94 H new ATOM 0 HE3 LYS A 63 4.289 9.069 -9.375 1.00 1.94 H new ATOM 0 HZ1 LYS A 63 5.092 11.452 -9.091 1.00 2.29 H new ATOM 0 HZ2 LYS A 63 4.023 10.847 -7.918 1.00 2.29 H new ATOM 0 HZ3 LYS A 63 5.682 10.963 -7.576 1.00 2.29 H new ATOM 986 N LEU A 64 1.453 6.182 -4.428 1.00 1.16 N ATOM 987 CA LEU A 64 0.449 5.192 -4.786 1.00 1.06 C ATOM 988 C LEU A 64 -0.120 5.485 -6.168 1.00 1.05 C ATOM 989 O LEU A 64 -0.693 6.549 -6.402 1.00 1.06 O ATOM 990 CB LEU A 64 -0.673 5.183 -3.732 1.00 0.98 C ATOM 991 CG LEU A 64 -1.736 4.079 -3.871 1.00 0.91 C ATOM 992 CD1 LEU A 64 -2.900 4.547 -4.731 1.00 0.99 C ATOM 993 CD2 LEU A 64 -1.133 2.805 -4.445 1.00 1.06 C ATOM 0 H LEU A 64 1.149 6.850 -3.719 1.00 1.16 H new ATOM 0 HA LEU A 64 0.917 4.208 -4.812 1.00 1.06 H new ATOM 0 HB2 LEU A 64 -0.215 5.094 -2.747 1.00 0.98 H new ATOM 0 HB3 LEU A 64 -1.178 6.149 -3.763 1.00 0.98 H new ATOM 0 HG LEU A 64 -2.113 3.859 -2.872 1.00 0.91 H new ATOM 0 HD11 LEU A 64 -3.636 3.748 -4.813 1.00 0.99 H new ATOM 0 HD12 LEU A 64 -3.363 5.421 -4.273 1.00 0.99 H new ATOM 0 HD13 LEU A 64 -2.536 4.808 -5.725 1.00 0.99 H new ATOM 0 HD21 LEU A 64 -1.907 2.043 -4.532 1.00 1.06 H new ATOM 0 HD22 LEU A 64 -0.716 3.012 -5.430 1.00 1.06 H new ATOM 0 HD23 LEU A 64 -0.344 2.446 -3.785 1.00 1.06 H new ATOM 1005 N ILE A 65 0.064 4.548 -7.085 1.00 1.07 N ATOM 1006 CA ILE A 65 -0.452 4.691 -8.436 1.00 1.08 C ATOM 1007 C ILE A 65 -1.174 3.412 -8.845 1.00 1.05 C ATOM 1008 O ILE A 65 -0.672 2.627 -9.648 1.00 1.15 O ATOM 1009 CB ILE A 65 0.657 5.006 -9.465 1.00 1.22 C ATOM 1010 CG1 ILE A 65 1.778 5.841 -8.834 1.00 1.27 C ATOM 1011 CG2 ILE A 65 0.056 5.742 -10.656 1.00 1.42 C ATOM 1012 CD1 ILE A 65 2.963 6.056 -9.750 1.00 1.42 C ATOM 0 H ILE A 65 0.569 3.678 -6.917 1.00 1.07 H new ATOM 0 HA ILE A 65 -1.142 5.535 -8.431 1.00 1.08 H new ATOM 0 HB ILE A 65 1.092 4.065 -9.803 1.00 1.22 H new ATOM 0 HG12 ILE A 65 1.376 6.811 -8.540 1.00 1.27 H new ATOM 0 HG13 ILE A 65 2.118 5.348 -7.923 1.00 1.27 H new ATOM 0 HG21 ILE A 65 0.840 5.963 -11.380 1.00 1.42 H new ATOM 0 HG22 ILE A 65 -0.705 5.117 -11.124 1.00 1.42 H new ATOM 0 HG23 ILE A 65 -0.398 6.673 -10.317 1.00 1.42 H new ATOM 0 HD11 ILE A 65 3.716 6.654 -9.237 1.00 1.42 H new ATOM 0 HD12 ILE A 65 3.391 5.092 -10.024 1.00 1.42 H new ATOM 0 HD13 ILE A 65 2.637 6.577 -10.650 1.00 1.42 H new ATOM 1024 N PHE A 66 -2.345 3.200 -8.261 1.00 0.93 N ATOM 1025 CA PHE A 66 -3.150 2.020 -8.542 1.00 0.91 C ATOM 1026 C PHE A 66 -4.617 2.315 -8.255 1.00 0.84 C ATOM 1027 O PHE A 66 -4.962 3.439 -7.885 1.00 0.81 O ATOM 1028 CB PHE A 66 -2.674 0.824 -7.710 1.00 0.89 C ATOM 1029 CG PHE A 66 -2.487 -0.434 -8.513 1.00 0.97 C ATOM 1030 CD1 PHE A 66 -1.318 -0.655 -9.219 1.00 1.20 C ATOM 1031 CD2 PHE A 66 -3.482 -1.397 -8.559 1.00 1.24 C ATOM 1032 CE1 PHE A 66 -1.142 -1.811 -9.957 1.00 1.28 C ATOM 1033 CE2 PHE A 66 -3.313 -2.555 -9.293 1.00 1.32 C ATOM 1034 CZ PHE A 66 -2.141 -2.763 -9.994 1.00 1.16 C ATOM 0 H PHE A 66 -2.762 3.837 -7.583 1.00 0.93 H new ATOM 0 HA PHE A 66 -3.037 1.765 -9.596 1.00 0.91 H new ATOM 0 HB2 PHE A 66 -1.731 1.080 -7.228 1.00 0.89 H new ATOM 0 HB3 PHE A 66 -3.397 0.634 -6.916 1.00 0.89 H new ATOM 0 HD1 PHE A 66 -0.532 0.085 -9.193 1.00 1.20 H new ATOM 0 HD2 PHE A 66 -4.401 -1.240 -8.014 1.00 1.24 H new ATOM 0 HE1 PHE A 66 -0.224 -1.969 -10.504 1.00 1.28 H new ATOM 0 HE2 PHE A 66 -4.097 -3.297 -9.319 1.00 1.32 H new ATOM 0 HZ PHE A 66 -2.007 -3.667 -10.569 1.00 1.16 H new ATOM 1044 N LYS A 67 -5.473 1.308 -8.449 1.00 0.87 N ATOM 1045 CA LYS A 67 -6.921 1.434 -8.229 1.00 0.89 C ATOM 1046 C LYS A 67 -7.555 2.362 -9.263 1.00 0.84 C ATOM 1047 O LYS A 67 -8.753 2.641 -9.207 1.00 0.84 O ATOM 1048 CB LYS A 67 -7.235 1.955 -6.817 1.00 1.00 C ATOM 1049 CG LYS A 67 -7.134 0.911 -5.715 1.00 0.69 C ATOM 1050 CD LYS A 67 -7.747 1.421 -4.415 1.00 0.72 C ATOM 1051 CE LYS A 67 -7.729 0.361 -3.326 1.00 0.72 C ATOM 1052 NZ LYS A 67 -8.952 0.404 -2.480 1.00 0.54 N ATOM 0 H LYS A 67 -5.184 0.381 -8.763 1.00 0.87 H new ATOM 0 HA LYS A 67 -7.345 0.436 -8.335 1.00 0.89 H new ATOM 0 HB2 LYS A 67 -6.553 2.773 -6.587 1.00 1.00 H new ATOM 0 HB3 LYS A 67 -8.243 2.370 -6.814 1.00 1.00 H new ATOM 0 HG2 LYS A 67 -7.643 -0.001 -6.027 1.00 0.69 H new ATOM 0 HG3 LYS A 67 -6.088 0.652 -5.550 1.00 0.69 H new ATOM 0 HD2 LYS A 67 -7.199 2.300 -4.075 1.00 0.72 H new ATOM 0 HD3 LYS A 67 -8.774 1.737 -4.597 1.00 0.72 H new ATOM 0 HE2 LYS A 67 -7.639 -0.625 -3.782 1.00 0.72 H new ATOM 0 HE3 LYS A 67 -6.850 0.503 -2.698 1.00 0.72 H new ATOM 0 HZ1 LYS A 67 -9.124 -0.537 -2.071 1.00 0.54 H new ATOM 0 HZ2 LYS A 67 -8.820 1.096 -1.715 1.00 0.54 H new ATOM 0 HZ3 LYS A 67 -9.767 0.683 -3.062 1.00 0.54 H new ATOM 1066 N GLY A 68 -6.748 2.826 -10.211 1.00 0.89 N ATOM 1067 CA GLY A 68 -7.234 3.737 -11.227 1.00 0.93 C ATOM 1068 C GLY A 68 -7.173 5.172 -10.746 1.00 0.94 C ATOM 1069 O GLY A 68 -7.821 6.061 -11.301 1.00 1.05 O ATOM 0 H GLY A 68 -5.760 2.585 -10.293 1.00 0.89 H new ATOM 0 HA2 GLY A 68 -6.638 3.628 -12.133 1.00 0.93 H new ATOM 0 HA3 GLY A 68 -8.261 3.481 -11.488 1.00 0.93 H new ATOM 1073 N LYS A 69 -6.382 5.392 -9.702 1.00 0.89 N ATOM 1074 CA LYS A 69 -6.230 6.712 -9.105 1.00 0.93 C ATOM 1075 C LYS A 69 -4.776 6.959 -8.711 1.00 0.96 C ATOM 1076 O LYS A 69 -3.901 6.133 -8.983 1.00 1.05 O ATOM 1077 CB LYS A 69 -7.121 6.831 -7.860 1.00 0.92 C ATOM 1078 CG LYS A 69 -7.979 5.598 -7.594 1.00 1.07 C ATOM 1079 CD LYS A 69 -8.432 5.515 -6.144 1.00 0.93 C ATOM 1080 CE LYS A 69 -9.320 6.688 -5.759 1.00 1.24 C ATOM 1081 NZ LYS A 69 -10.551 6.748 -6.587 1.00 1.50 N ATOM 0 H LYS A 69 -5.831 4.664 -9.248 1.00 0.89 H new ATOM 0 HA LYS A 69 -6.529 7.457 -9.842 1.00 0.93 H new ATOM 0 HB2 LYS A 69 -6.491 7.017 -6.991 1.00 0.92 H new ATOM 0 HB3 LYS A 69 -7.773 7.698 -7.973 1.00 0.92 H new ATOM 0 HG2 LYS A 69 -8.853 5.618 -8.245 1.00 1.07 H new ATOM 0 HG3 LYS A 69 -7.413 4.702 -7.848 1.00 1.07 H new ATOM 0 HD2 LYS A 69 -8.974 4.582 -5.986 1.00 0.93 H new ATOM 0 HD3 LYS A 69 -7.559 5.491 -5.492 1.00 0.93 H new ATOM 0 HE2 LYS A 69 -9.594 6.606 -4.707 1.00 1.24 H new ATOM 0 HE3 LYS A 69 -8.762 7.618 -5.871 1.00 1.24 H new ATOM 0 HZ1 LYS A 69 -11.258 7.347 -6.115 1.00 1.50 H new ATOM 0 HZ2 LYS A 69 -10.323 7.149 -7.519 1.00 1.50 H new ATOM 0 HZ3 LYS A 69 -10.935 5.789 -6.708 1.00 1.50 H new ATOM 1095 N SER A 70 -4.532 8.099 -8.078 1.00 0.95 N ATOM 1096 CA SER A 70 -3.200 8.465 -7.623 1.00 1.00 C ATOM 1097 C SER A 70 -3.254 8.929 -6.171 1.00 0.93 C ATOM 1098 O SER A 70 -4.276 9.451 -5.727 1.00 0.89 O ATOM 1099 CB SER A 70 -2.620 9.567 -8.509 1.00 1.17 C ATOM 1100 OG SER A 70 -3.581 10.023 -9.447 1.00 1.46 O ATOM 0 H SER A 70 -5.250 8.792 -7.867 1.00 0.95 H new ATOM 0 HA SER A 70 -2.553 7.590 -7.690 1.00 1.00 H new ATOM 0 HB2 SER A 70 -2.288 10.400 -7.889 1.00 1.17 H new ATOM 0 HB3 SER A 70 -1.742 9.191 -9.035 1.00 1.17 H new ATOM 0 HG SER A 70 -4.010 10.836 -9.107 1.00 1.46 H new ATOM 1106 N LEU A 71 -2.155 8.722 -5.444 1.00 1.01 N ATOM 1107 CA LEU A 71 -2.053 9.098 -4.031 1.00 0.99 C ATOM 1108 C LEU A 71 -2.553 10.521 -3.769 1.00 1.00 C ATOM 1109 O LEU A 71 -1.971 11.502 -4.239 1.00 1.13 O ATOM 1110 CB LEU A 71 -0.607 8.948 -3.537 1.00 1.11 C ATOM 1111 CG LEU A 71 0.409 9.935 -4.123 1.00 1.24 C ATOM 1112 CD1 LEU A 71 1.553 10.158 -3.153 1.00 1.35 C ATOM 1113 CD2 LEU A 71 0.941 9.439 -5.457 1.00 1.28 C ATOM 0 H LEU A 71 -1.310 8.289 -5.817 1.00 1.01 H new ATOM 0 HA LEU A 71 -2.698 8.418 -3.474 1.00 0.99 H new ATOM 0 HB2 LEU A 71 -0.602 9.053 -2.452 1.00 1.11 H new ATOM 0 HB3 LEU A 71 -0.271 7.936 -3.761 1.00 1.11 H new ATOM 0 HG LEU A 71 -0.100 10.884 -4.289 1.00 1.24 H new ATOM 0 HD11 LEU A 71 2.265 10.861 -3.585 1.00 1.35 H new ATOM 0 HD12 LEU A 71 1.164 10.563 -2.219 1.00 1.35 H new ATOM 0 HD13 LEU A 71 2.054 9.210 -2.957 1.00 1.35 H new ATOM 0 HD21 LEU A 71 1.660 10.157 -5.852 1.00 1.28 H new ATOM 0 HD22 LEU A 71 1.430 8.475 -5.318 1.00 1.28 H new ATOM 0 HD23 LEU A 71 0.115 9.329 -6.160 1.00 1.28 H new ATOM 1125 N LYS A 72 -3.640 10.609 -3.017 1.00 0.95 N ATOM 1126 CA LYS A 72 -4.256 11.881 -2.662 1.00 0.99 C ATOM 1127 C LYS A 72 -5.220 11.665 -1.508 1.00 0.95 C ATOM 1128 O LYS A 72 -5.609 10.529 -1.229 1.00 0.92 O ATOM 1129 CB LYS A 72 -5.024 12.468 -3.853 1.00 1.02 C ATOM 1130 CG LYS A 72 -4.224 13.463 -4.675 1.00 1.22 C ATOM 1131 CD LYS A 72 -4.889 13.735 -6.009 1.00 1.29 C ATOM 1132 CE LYS A 72 -3.954 14.460 -6.958 1.00 1.62 C ATOM 1133 NZ LYS A 72 -4.515 14.531 -8.329 1.00 1.90 N ATOM 0 H LYS A 72 -4.123 9.796 -2.633 1.00 0.95 H new ATOM 0 HA LYS A 72 -3.470 12.579 -2.375 1.00 0.99 H new ATOM 0 HB2 LYS A 72 -5.346 11.653 -4.501 1.00 1.02 H new ATOM 0 HB3 LYS A 72 -5.925 12.958 -3.485 1.00 1.02 H new ATOM 0 HG2 LYS A 72 -4.120 14.396 -4.121 1.00 1.22 H new ATOM 0 HG3 LYS A 72 -3.218 13.077 -4.840 1.00 1.22 H new ATOM 0 HD2 LYS A 72 -5.206 12.793 -6.457 1.00 1.29 H new ATOM 0 HD3 LYS A 72 -5.787 14.333 -5.854 1.00 1.29 H new ATOM 0 HE2 LYS A 72 -3.769 15.468 -6.587 1.00 1.62 H new ATOM 0 HE3 LYS A 72 -2.992 13.948 -6.984 1.00 1.62 H new ATOM 0 HZ1 LYS A 72 -3.873 15.077 -8.939 1.00 1.90 H new ATOM 0 HZ2 LYS A 72 -4.621 13.569 -8.711 1.00 1.90 H new ATOM 0 HZ3 LYS A 72 -5.445 14.997 -8.300 1.00 1.90 H new ATOM 1147 N GLU A 73 -5.591 12.740 -0.833 1.00 1.00 N ATOM 1148 CA GLU A 73 -6.537 12.655 0.272 1.00 1.01 C ATOM 1149 C GLU A 73 -7.957 12.615 -0.280 1.00 0.98 C ATOM 1150 O GLU A 73 -8.907 12.275 0.426 1.00 1.01 O ATOM 1151 CB GLU A 73 -6.366 13.841 1.227 1.00 1.14 C ATOM 1152 CG GLU A 73 -5.024 13.861 1.943 1.00 1.33 C ATOM 1153 CD GLU A 73 -4.082 14.915 1.396 1.00 1.55 C ATOM 1154 OE1 GLU A 73 -4.119 15.180 0.178 1.00 1.66 O ATOM 1155 OE2 GLU A 73 -3.300 15.490 2.187 1.00 1.98 O ATOM 0 H GLU A 73 -5.253 13.682 -1.029 1.00 1.00 H new ATOM 0 HA GLU A 73 -6.343 11.742 0.835 1.00 1.01 H new ATOM 0 HB2 GLU A 73 -6.482 14.768 0.665 1.00 1.14 H new ATOM 0 HB3 GLU A 73 -7.164 13.816 1.969 1.00 1.14 H new ATOM 0 HG2 GLU A 73 -5.187 14.042 3.005 1.00 1.33 H new ATOM 0 HG3 GLU A 73 -4.556 12.881 1.855 1.00 1.33 H new ATOM 1162 N MET A 74 -8.086 12.983 -1.552 1.00 1.01 N ATOM 1163 CA MET A 74 -9.369 12.988 -2.242 1.00 1.03 C ATOM 1164 C MET A 74 -9.173 13.275 -3.729 1.00 1.05 C ATOM 1165 O MET A 74 -8.813 14.386 -4.117 1.00 1.16 O ATOM 1166 CB MET A 74 -10.331 14.020 -1.627 1.00 1.15 C ATOM 1167 CG MET A 74 -9.706 15.385 -1.376 1.00 1.26 C ATOM 1168 SD MET A 74 -10.908 16.601 -0.801 1.00 1.65 S ATOM 1169 CE MET A 74 -9.845 18.007 -0.488 1.00 1.77 C ATOM 0 H MET A 74 -7.303 13.286 -2.132 1.00 1.01 H new ATOM 0 HA MET A 74 -9.813 11.999 -2.126 1.00 1.03 H new ATOM 0 HB2 MET A 74 -11.187 14.142 -2.290 1.00 1.15 H new ATOM 0 HB3 MET A 74 -10.711 13.628 -0.684 1.00 1.15 H new ATOM 0 HG2 MET A 74 -8.912 15.287 -0.636 1.00 1.26 H new ATOM 0 HG3 MET A 74 -9.243 15.743 -2.295 1.00 1.26 H new ATOM 0 HE1 MET A 74 -10.444 18.842 -0.125 1.00 1.77 H new ATOM 0 HE2 MET A 74 -9.101 17.741 0.263 1.00 1.77 H new ATOM 0 HE3 MET A 74 -9.342 18.295 -1.411 1.00 1.77 H new ATOM 1179 N GLU A 75 -9.382 12.263 -4.558 1.00 1.07 N ATOM 1180 CA GLU A 75 -9.247 12.423 -6.003 1.00 1.14 C ATOM 1181 C GLU A 75 -10.502 11.911 -6.710 1.00 1.13 C ATOM 1182 O GLU A 75 -11.527 12.590 -6.729 1.00 1.31 O ATOM 1183 CB GLU A 75 -7.994 11.709 -6.522 1.00 1.16 C ATOM 1184 CG GLU A 75 -7.693 12.007 -7.987 1.00 1.28 C ATOM 1185 CD GLU A 75 -6.400 11.383 -8.471 1.00 1.49 C ATOM 1186 OE1 GLU A 75 -6.254 10.149 -8.369 1.00 1.89 O ATOM 1187 OE2 GLU A 75 -5.529 12.128 -8.967 1.00 1.65 O ATOM 0 H GLU A 75 -9.645 11.324 -4.259 1.00 1.07 H new ATOM 0 HA GLU A 75 -9.135 13.485 -6.223 1.00 1.14 H new ATOM 0 HB2 GLU A 75 -7.138 12.005 -5.915 1.00 1.16 H new ATOM 0 HB3 GLU A 75 -8.118 10.634 -6.395 1.00 1.16 H new ATOM 0 HG2 GLU A 75 -8.516 11.643 -8.601 1.00 1.28 H new ATOM 0 HG3 GLU A 75 -7.643 13.087 -8.128 1.00 1.28 H new ATOM 1194 N THR A 76 -10.431 10.711 -7.267 1.00 1.06 N ATOM 1195 CA THR A 76 -11.570 10.132 -7.960 1.00 1.09 C ATOM 1196 C THR A 76 -12.587 9.592 -6.953 1.00 1.04 C ATOM 1197 O THR A 76 -12.205 9.137 -5.870 1.00 0.98 O ATOM 1198 CB THR A 76 -11.118 9.008 -8.908 1.00 1.13 C ATOM 1199 OG1 THR A 76 -9.842 8.508 -8.489 1.00 1.07 O ATOM 1200 CG2 THR A 76 -11.025 9.508 -10.341 1.00 1.29 C ATOM 0 H THR A 76 -9.599 10.121 -7.252 1.00 1.06 H new ATOM 0 HA THR A 76 -12.042 10.915 -8.553 1.00 1.09 H new ATOM 0 HB THR A 76 -11.858 8.209 -8.870 1.00 1.13 H new ATOM 0 HG1 THR A 76 -9.542 7.813 -9.112 1.00 1.07 H new ATOM 0 HG21 THR A 76 -10.703 8.694 -10.990 1.00 1.29 H new ATOM 0 HG22 THR A 76 -12.002 9.867 -10.665 1.00 1.29 H new ATOM 0 HG23 THR A 76 -10.303 10.323 -10.396 1.00 1.29 H new ATOM 1208 N PRO A 77 -13.886 9.631 -7.305 1.00 1.12 N ATOM 1209 CA PRO A 77 -14.989 9.172 -6.434 1.00 1.14 C ATOM 1210 C PRO A 77 -14.828 7.743 -5.906 1.00 1.01 C ATOM 1211 O PRO A 77 -13.932 6.996 -6.322 1.00 0.94 O ATOM 1212 CB PRO A 77 -16.218 9.261 -7.340 1.00 1.26 C ATOM 1213 CG PRO A 77 -15.868 10.280 -8.361 1.00 1.36 C ATOM 1214 CD PRO A 77 -14.392 10.141 -8.595 1.00 1.24 C ATOM 0 HA PRO A 77 -15.040 9.781 -5.531 1.00 1.14 H new ATOM 0 HB2 PRO A 77 -16.439 8.299 -7.802 1.00 1.26 H new ATOM 0 HB3 PRO A 77 -17.104 9.555 -6.776 1.00 1.26 H new ATOM 0 HG2 PRO A 77 -16.426 10.117 -9.283 1.00 1.36 H new ATOM 0 HG3 PRO A 77 -16.115 11.283 -8.012 1.00 1.36 H new ATOM 0 HD2 PRO A 77 -14.178 9.451 -9.411 1.00 1.24 H new ATOM 0 HD3 PRO A 77 -13.935 11.096 -8.856 1.00 1.24 H new ATOM 1222 N LEU A 78 -15.736 7.368 -5.006 1.00 1.03 N ATOM 1223 CA LEU A 78 -15.735 6.050 -4.376 1.00 0.97 C ATOM 1224 C LEU A 78 -15.963 4.952 -5.405 1.00 0.95 C ATOM 1225 O LEU A 78 -15.495 3.825 -5.239 1.00 0.87 O ATOM 1226 CB LEU A 78 -16.818 5.967 -3.295 1.00 1.07 C ATOM 1227 CG LEU A 78 -16.553 6.774 -2.017 1.00 1.18 C ATOM 1228 CD1 LEU A 78 -16.763 8.262 -2.249 1.00 1.65 C ATOM 1229 CD2 LEU A 78 -17.453 6.285 -0.892 1.00 1.22 C ATOM 0 H LEU A 78 -16.495 7.973 -4.693 1.00 1.03 H new ATOM 0 HA LEU A 78 -14.757 5.905 -3.917 1.00 0.97 H new ATOM 0 HB2 LEU A 78 -17.761 6.305 -3.726 1.00 1.07 H new ATOM 0 HB3 LEU A 78 -16.950 4.921 -3.020 1.00 1.07 H new ATOM 0 HG LEU A 78 -15.512 6.622 -1.733 1.00 1.18 H new ATOM 0 HD11 LEU A 78 -16.567 8.806 -1.325 1.00 1.65 H new ATOM 0 HD12 LEU A 78 -16.081 8.609 -3.025 1.00 1.65 H new ATOM 0 HD13 LEU A 78 -17.791 8.440 -2.564 1.00 1.65 H new ATOM 0 HD21 LEU A 78 -17.256 6.865 0.010 1.00 1.22 H new ATOM 0 HD22 LEU A 78 -18.497 6.408 -1.182 1.00 1.22 H new ATOM 0 HD23 LEU A 78 -17.252 5.232 -0.697 1.00 1.22 H new ATOM 1241 N SER A 79 -16.677 5.291 -6.471 1.00 1.07 N ATOM 1242 CA SER A 79 -16.959 4.348 -7.544 1.00 1.12 C ATOM 1243 C SER A 79 -15.659 3.863 -8.183 1.00 1.00 C ATOM 1244 O SER A 79 -15.607 2.800 -8.800 1.00 1.04 O ATOM 1245 CB SER A 79 -17.846 5.021 -8.592 1.00 1.31 C ATOM 1246 OG SER A 79 -17.973 6.409 -8.324 1.00 1.68 O ATOM 0 H SER A 79 -17.074 6.220 -6.615 1.00 1.07 H new ATOM 0 HA SER A 79 -17.480 3.484 -7.132 1.00 1.12 H new ATOM 0 HB2 SER A 79 -17.420 4.875 -9.585 1.00 1.31 H new ATOM 0 HB3 SER A 79 -18.831 4.554 -8.596 1.00 1.31 H new ATOM 0 HG SER A 79 -18.542 6.823 -9.006 1.00 1.68 H new ATOM 1252 N ALA A 80 -14.606 4.654 -8.016 1.00 0.93 N ATOM 1253 CA ALA A 80 -13.302 4.322 -8.559 1.00 0.88 C ATOM 1254 C ALA A 80 -12.307 4.064 -7.433 1.00 0.74 C ATOM 1255 O ALA A 80 -11.101 4.239 -7.601 1.00 0.81 O ATOM 1256 CB ALA A 80 -12.808 5.437 -9.467 1.00 1.02 C ATOM 0 H ALA A 80 -14.635 5.536 -7.504 1.00 0.93 H new ATOM 0 HA ALA A 80 -13.393 3.411 -9.151 1.00 0.88 H new ATOM 0 HB1 ALA A 80 -11.829 5.174 -9.867 1.00 1.02 H new ATOM 0 HB2 ALA A 80 -13.510 5.575 -10.289 1.00 1.02 H new ATOM 0 HB3 ALA A 80 -12.730 6.363 -8.897 1.00 1.02 H new ATOM 1262 N LEU A 81 -12.818 3.673 -6.273 1.00 0.66 N ATOM 1263 CA LEU A 81 -11.968 3.378 -5.121 1.00 0.55 C ATOM 1264 C LEU A 81 -11.655 1.887 -5.080 1.00 0.52 C ATOM 1265 O LEU A 81 -10.999 1.393 -4.159 1.00 0.56 O ATOM 1266 CB LEU A 81 -12.651 3.803 -3.813 1.00 0.59 C ATOM 1267 CG LEU A 81 -11.900 4.838 -2.967 1.00 0.59 C ATOM 1268 CD1 LEU A 81 -10.435 4.461 -2.797 1.00 0.49 C ATOM 1269 CD2 LEU A 81 -12.031 6.225 -3.573 1.00 0.75 C ATOM 0 H LEU A 81 -13.816 3.552 -6.102 1.00 0.66 H new ATOM 0 HA LEU A 81 -11.041 3.942 -5.223 1.00 0.55 H new ATOM 0 HB2 LEU A 81 -13.635 4.205 -4.054 1.00 0.59 H new ATOM 0 HB3 LEU A 81 -12.811 2.913 -3.204 1.00 0.59 H new ATOM 0 HG LEU A 81 -12.356 4.849 -1.977 1.00 0.59 H new ATOM 0 HD11 LEU A 81 -9.933 5.216 -2.192 1.00 0.49 H new ATOM 0 HD12 LEU A 81 -10.364 3.493 -2.301 1.00 0.49 H new ATOM 0 HD13 LEU A 81 -9.958 4.404 -3.775 1.00 0.49 H new ATOM 0 HD21 LEU A 81 -11.491 6.944 -2.957 1.00 0.75 H new ATOM 0 HD22 LEU A 81 -11.613 6.223 -4.580 1.00 0.75 H new ATOM 0 HD23 LEU A 81 -13.084 6.504 -3.618 1.00 0.75 H new ATOM 1281 N GLY A 82 -12.119 1.183 -6.098 1.00 0.59 N ATOM 1282 CA GLY A 82 -11.905 -0.239 -6.173 1.00 0.62 C ATOM 1283 C GLY A 82 -13.110 -1.005 -5.688 1.00 0.63 C ATOM 1284 O GLY A 82 -13.144 -1.454 -4.542 1.00 0.64 O ATOM 0 H GLY A 82 -12.644 1.578 -6.878 1.00 0.59 H new ATOM 0 HA2 GLY A 82 -11.683 -0.521 -7.202 1.00 0.62 H new ATOM 0 HA3 GLY A 82 -11.035 -0.509 -5.574 1.00 0.62 H new ATOM 1288 N MET A 83 -14.106 -1.144 -6.558 1.00 0.84 N ATOM 1289 CA MET A 83 -15.335 -1.862 -6.221 1.00 1.01 C ATOM 1290 C MET A 83 -15.097 -3.371 -6.223 1.00 0.98 C ATOM 1291 O MET A 83 -15.732 -4.125 -6.963 1.00 1.26 O ATOM 1292 CB MET A 83 -16.461 -1.492 -7.195 1.00 1.34 C ATOM 1293 CG MET A 83 -16.069 -1.583 -8.661 1.00 1.54 C ATOM 1294 SD MET A 83 -17.426 -1.163 -9.770 1.00 2.03 S ATOM 1295 CE MET A 83 -16.556 -1.074 -11.331 1.00 2.27 C ATOM 0 H MET A 83 -14.087 -0.768 -7.506 1.00 0.84 H new ATOM 0 HA MET A 83 -15.639 -1.566 -5.217 1.00 1.01 H new ATOM 0 HB2 MET A 83 -17.312 -2.149 -7.016 1.00 1.34 H new ATOM 0 HB3 MET A 83 -16.792 -0.476 -6.981 1.00 1.34 H new ATOM 0 HG2 MET A 83 -15.230 -0.914 -8.851 1.00 1.54 H new ATOM 0 HG3 MET A 83 -15.726 -2.594 -8.879 1.00 1.54 H new ATOM 0 HE1 MET A 83 -17.259 -0.822 -12.125 1.00 2.27 H new ATOM 0 HE2 MET A 83 -15.783 -0.308 -11.274 1.00 2.27 H new ATOM 0 HE3 MET A 83 -16.096 -2.038 -11.546 1.00 2.27 H new ATOM 1305 N GLN A 84 -14.173 -3.792 -5.380 1.00 0.89 N ATOM 1306 CA GLN A 84 -13.802 -5.183 -5.238 1.00 0.89 C ATOM 1307 C GLN A 84 -13.356 -5.418 -3.804 1.00 0.84 C ATOM 1308 O GLN A 84 -13.472 -4.519 -2.969 1.00 1.06 O ATOM 1309 CB GLN A 84 -12.691 -5.544 -6.229 1.00 0.92 C ATOM 1310 CG GLN A 84 -11.552 -4.542 -6.280 1.00 0.99 C ATOM 1311 CD GLN A 84 -10.604 -4.795 -7.441 1.00 1.05 C ATOM 1312 OE1 GLN A 84 -9.614 -5.511 -7.307 1.00 1.20 O ATOM 1313 NE2 GLN A 84 -10.895 -4.207 -8.590 1.00 1.38 N ATOM 0 H GLN A 84 -13.652 -3.166 -4.766 1.00 0.89 H new ATOM 0 HA GLN A 84 -14.656 -5.823 -5.460 1.00 0.89 H new ATOM 0 HB2 GLN A 84 -12.288 -6.522 -5.965 1.00 0.92 H new ATOM 0 HB3 GLN A 84 -13.124 -5.636 -7.225 1.00 0.92 H new ATOM 0 HG2 GLN A 84 -11.962 -3.535 -6.363 1.00 0.99 H new ATOM 0 HG3 GLN A 84 -10.994 -4.583 -5.344 1.00 0.99 H new ATOM 0 HE21 GLN A 84 -11.725 -3.619 -8.666 1.00 1.38 H new ATOM 0 HE22 GLN A 84 -10.289 -4.342 -9.400 1.00 1.38 H new ATOM 1322 N ASN A 85 -12.839 -6.596 -3.506 1.00 0.74 N ATOM 1323 CA ASN A 85 -12.410 -6.885 -2.146 1.00 0.78 C ATOM 1324 C ASN A 85 -11.030 -6.311 -1.851 1.00 0.72 C ATOM 1325 O ASN A 85 -10.025 -7.018 -1.888 1.00 0.98 O ATOM 1326 CB ASN A 85 -12.448 -8.384 -1.840 1.00 0.91 C ATOM 1327 CG ASN A 85 -11.855 -9.263 -2.922 1.00 0.91 C ATOM 1328 OD1 ASN A 85 -12.561 -9.719 -3.817 1.00 1.15 O ATOM 1329 ND2 ASN A 85 -10.563 -9.521 -2.838 1.00 1.09 N ATOM 0 H ASN A 85 -12.707 -7.357 -4.172 1.00 0.74 H new ATOM 0 HA ASN A 85 -13.124 -6.392 -1.486 1.00 0.78 H new ATOM 0 HB2 ASN A 85 -11.912 -8.565 -0.908 1.00 0.91 H new ATOM 0 HB3 ASN A 85 -13.483 -8.682 -1.675 1.00 0.91 H new ATOM 0 HD21 ASN A 85 -10.116 -10.119 -3.533 1.00 1.09 H new ATOM 0 HD22 ASN A 85 -10.012 -9.122 -2.078 1.00 1.09 H new ATOM 1336 N GLY A 86 -10.993 -5.012 -1.587 1.00 0.62 N ATOM 1337 CA GLY A 86 -9.747 -4.354 -1.251 1.00 0.57 C ATOM 1338 C GLY A 86 -8.964 -3.876 -2.457 1.00 0.51 C ATOM 1339 O GLY A 86 -8.508 -2.731 -2.475 1.00 0.49 O ATOM 0 H GLY A 86 -11.809 -4.400 -1.600 1.00 0.62 H new ATOM 0 HA2 GLY A 86 -9.959 -3.501 -0.606 1.00 0.57 H new ATOM 0 HA3 GLY A 86 -9.127 -5.042 -0.676 1.00 0.57 H new ATOM 1343 N CYS A 87 -8.822 -4.748 -3.456 1.00 0.59 N ATOM 1344 CA CYS A 87 -8.067 -4.444 -4.674 1.00 0.62 C ATOM 1345 C CYS A 87 -6.570 -4.507 -4.365 1.00 0.65 C ATOM 1346 O CYS A 87 -6.150 -5.222 -3.452 1.00 0.68 O ATOM 1347 CB CYS A 87 -8.462 -3.070 -5.250 1.00 0.62 C ATOM 1348 SG CYS A 87 -7.900 -2.767 -6.945 1.00 0.79 S ATOM 0 H CYS A 87 -9.226 -5.684 -3.444 1.00 0.59 H new ATOM 0 HA CYS A 87 -8.306 -5.186 -5.436 1.00 0.62 H new ATOM 0 HB2 CYS A 87 -9.548 -2.978 -5.220 1.00 0.62 H new ATOM 0 HB3 CYS A 87 -8.058 -2.291 -4.603 1.00 0.62 H new ATOM 0 HG CYS A 87 -7.069 -3.701 -7.300 1.00 0.79 H new ATOM 1354 N ARG A 88 -5.766 -3.783 -5.126 1.00 0.69 N ATOM 1355 CA ARG A 88 -4.327 -3.771 -4.914 1.00 0.77 C ATOM 1356 C ARG A 88 -3.802 -2.344 -4.918 1.00 0.75 C ATOM 1357 O ARG A 88 -4.371 -1.471 -5.574 1.00 0.72 O ATOM 1358 CB ARG A 88 -3.615 -4.591 -5.997 1.00 0.93 C ATOM 1359 CG ARG A 88 -3.923 -6.079 -5.941 1.00 1.03 C ATOM 1360 CD ARG A 88 -5.055 -6.457 -6.881 1.00 1.11 C ATOM 1361 NE ARG A 88 -4.640 -6.424 -8.282 1.00 1.27 N ATOM 1362 CZ ARG A 88 -5.482 -6.342 -9.310 1.00 1.47 C ATOM 1363 NH1 ARG A 88 -6.791 -6.277 -9.102 1.00 1.55 N ATOM 1364 NH2 ARG A 88 -5.009 -6.330 -10.549 1.00 1.74 N ATOM 0 H ARG A 88 -6.085 -3.196 -5.896 1.00 0.69 H new ATOM 0 HA ARG A 88 -4.123 -4.221 -3.942 1.00 0.77 H new ATOM 0 HB2 ARG A 88 -3.900 -4.207 -6.977 1.00 0.93 H new ATOM 0 HB3 ARG A 88 -2.539 -4.448 -5.899 1.00 0.93 H new ATOM 0 HG2 ARG A 88 -3.029 -6.645 -6.203 1.00 1.03 H new ATOM 0 HG3 ARG A 88 -4.189 -6.357 -4.921 1.00 1.03 H new ATOM 0 HD2 ARG A 88 -5.413 -7.456 -6.633 1.00 1.11 H new ATOM 0 HD3 ARG A 88 -5.891 -5.773 -6.735 1.00 1.11 H new ATOM 0 HE ARG A 88 -3.641 -6.467 -8.485 1.00 1.27 H new ATOM 0 HH11 ARG A 88 -7.157 -6.290 -8.150 1.00 1.55 H new ATOM 0 HH12 ARG A 88 -7.431 -6.214 -9.894 1.00 1.55 H new ATOM 0 HH21 ARG A 88 -4.003 -6.384 -10.712 1.00 1.74 H new ATOM 0 HH22 ARG A 88 -5.651 -6.267 -11.339 1.00 1.74 H new ATOM 1378 N VAL A 89 -2.733 -2.108 -4.175 1.00 0.78 N ATOM 1379 CA VAL A 89 -2.126 -0.789 -4.110 1.00 0.79 C ATOM 1380 C VAL A 89 -0.611 -0.906 -4.215 1.00 0.92 C ATOM 1381 O VAL A 89 0.041 -1.515 -3.365 1.00 0.99 O ATOM 1382 CB VAL A 89 -2.500 -0.019 -2.819 1.00 0.70 C ATOM 1383 CG1 VAL A 89 -3.882 0.602 -2.939 1.00 0.61 C ATOM 1384 CG2 VAL A 89 -2.425 -0.915 -1.594 1.00 0.69 C ATOM 0 H VAL A 89 -2.267 -2.815 -3.607 1.00 0.78 H new ATOM 0 HA VAL A 89 -2.519 -0.219 -4.952 1.00 0.79 H new ATOM 0 HB VAL A 89 -1.770 0.781 -2.694 1.00 0.70 H new ATOM 0 HG11 VAL A 89 -4.122 1.137 -2.020 1.00 0.61 H new ATOM 0 HG12 VAL A 89 -3.897 1.297 -3.778 1.00 0.61 H new ATOM 0 HG13 VAL A 89 -4.620 -0.183 -3.105 1.00 0.61 H new ATOM 0 HG21 VAL A 89 -2.694 -0.342 -0.707 1.00 0.69 H new ATOM 0 HG22 VAL A 89 -3.117 -1.749 -1.710 1.00 0.69 H new ATOM 0 HG23 VAL A 89 -1.410 -1.298 -1.485 1.00 0.69 H new ATOM 1394 N MET A 90 -0.058 -0.349 -5.281 1.00 0.97 N ATOM 1395 CA MET A 90 1.378 -0.380 -5.499 1.00 1.10 C ATOM 1396 C MET A 90 1.938 1.034 -5.496 1.00 1.14 C ATOM 1397 O MET A 90 1.513 1.881 -6.284 1.00 1.13 O ATOM 1398 CB MET A 90 1.709 -1.067 -6.826 1.00 1.21 C ATOM 1399 CG MET A 90 3.203 -1.198 -7.082 1.00 1.49 C ATOM 1400 SD MET A 90 3.576 -1.966 -8.670 1.00 1.66 S ATOM 1401 CE MET A 90 3.014 -0.694 -9.799 1.00 2.09 C ATOM 0 H MET A 90 -0.585 0.131 -6.011 1.00 0.97 H new ATOM 0 HA MET A 90 1.835 -0.949 -4.689 1.00 1.10 H new ATOM 0 HB2 MET A 90 1.258 -2.059 -6.835 1.00 1.21 H new ATOM 0 HB3 MET A 90 1.256 -0.503 -7.642 1.00 1.21 H new ATOM 0 HG2 MET A 90 3.661 -0.210 -7.045 1.00 1.49 H new ATOM 0 HG3 MET A 90 3.653 -1.788 -6.284 1.00 1.49 H new ATOM 0 HE1 MET A 90 3.439 -0.871 -10.787 1.00 2.09 H new ATOM 0 HE2 MET A 90 1.926 -0.719 -9.862 1.00 2.09 H new ATOM 0 HE3 MET A 90 3.334 0.282 -9.436 1.00 2.09 H new ATOM 1411 N LEU A 91 2.876 1.292 -4.602 1.00 1.21 N ATOM 1412 CA LEU A 91 3.484 2.609 -4.509 1.00 1.27 C ATOM 1413 C LEU A 91 4.953 2.558 -4.910 1.00 1.41 C ATOM 1414 O LEU A 91 5.668 1.602 -4.594 1.00 1.47 O ATOM 1415 CB LEU A 91 3.284 3.237 -3.101 1.00 1.22 C ATOM 1416 CG LEU A 91 4.097 2.680 -1.906 1.00 1.27 C ATOM 1417 CD1 LEU A 91 4.110 1.161 -1.870 1.00 1.25 C ATOM 1418 CD2 LEU A 91 5.513 3.239 -1.888 1.00 1.42 C ATOM 0 H LEU A 91 3.233 0.611 -3.932 1.00 1.21 H new ATOM 0 HA LEU A 91 2.974 3.263 -5.216 1.00 1.27 H new ATOM 0 HB2 LEU A 91 3.505 4.301 -3.181 1.00 1.22 H new ATOM 0 HB3 LEU A 91 2.227 3.149 -2.849 1.00 1.22 H new ATOM 0 HG LEU A 91 3.589 3.015 -1.002 1.00 1.27 H new ATOM 0 HD11 LEU A 91 4.693 0.822 -1.014 1.00 1.25 H new ATOM 0 HD12 LEU A 91 3.089 0.790 -1.783 1.00 1.25 H new ATOM 0 HD13 LEU A 91 4.558 0.779 -2.788 1.00 1.25 H new ATOM 0 HD21 LEU A 91 6.056 2.828 -1.037 1.00 1.42 H new ATOM 0 HD22 LEU A 91 6.024 2.965 -2.811 1.00 1.42 H new ATOM 0 HD23 LEU A 91 5.474 4.325 -1.803 1.00 1.42 H new ATOM 1430 N ILE A 92 5.386 3.581 -5.629 1.00 1.50 N ATOM 1431 CA ILE A 92 6.764 3.672 -6.082 1.00 1.65 C ATOM 1432 C ILE A 92 7.485 4.789 -5.342 1.00 1.71 C ATOM 1433 O ILE A 92 7.381 5.958 -5.708 1.00 1.89 O ATOM 1434 CB ILE A 92 6.844 3.930 -7.602 1.00 1.74 C ATOM 1435 CG1 ILE A 92 5.912 2.974 -8.354 1.00 1.66 C ATOM 1436 CG2 ILE A 92 8.277 3.773 -8.093 1.00 1.96 C ATOM 1437 CD1 ILE A 92 5.752 3.309 -9.822 1.00 1.79 C ATOM 0 H ILE A 92 4.798 4.365 -5.913 1.00 1.50 H new ATOM 0 HA ILE A 92 7.245 2.717 -5.870 1.00 1.65 H new ATOM 0 HB ILE A 92 6.523 4.953 -7.798 1.00 1.74 H new ATOM 0 HG12 ILE A 92 6.297 1.958 -8.262 1.00 1.66 H new ATOM 0 HG13 ILE A 92 4.931 2.988 -7.878 1.00 1.66 H new ATOM 0 HG21 ILE A 92 8.316 3.958 -9.166 1.00 1.96 H new ATOM 0 HG22 ILE A 92 8.919 4.488 -7.578 1.00 1.96 H new ATOM 0 HG23 ILE A 92 8.623 2.760 -7.887 1.00 1.96 H new ATOM 0 HD11 ILE A 92 5.079 2.590 -10.288 1.00 1.79 H new ATOM 0 HD12 ILE A 92 5.338 4.312 -9.923 1.00 1.79 H new ATOM 0 HD13 ILE A 92 6.724 3.267 -10.313 1.00 1.79 H new ATOM 1449 N GLY A 93 8.198 4.423 -4.292 1.00 1.73 N ATOM 1450 CA GLY A 93 8.919 5.399 -3.505 1.00 1.80 C ATOM 1451 C GLY A 93 9.459 4.800 -2.228 1.00 1.84 C ATOM 1452 O GLY A 93 9.900 3.650 -2.219 1.00 1.89 O ATOM 0 H GLY A 93 8.291 3.460 -3.968 1.00 1.73 H new ATOM 0 HA2 GLY A 93 9.742 5.804 -4.093 1.00 1.80 H new ATOM 0 HA3 GLY A 93 8.259 6.232 -3.265 1.00 1.80 H new ATOM 1456 N GLU A 94 9.400 5.557 -1.142 1.00 1.88 N ATOM 1457 CA GLU A 94 9.904 5.088 0.140 1.00 1.97 C ATOM 1458 C GLU A 94 8.847 4.302 0.902 1.00 1.80 C ATOM 1459 O GLU A 94 7.701 4.186 0.466 1.00 1.84 O ATOM 1460 CB GLU A 94 10.386 6.267 0.987 1.00 2.22 C ATOM 1461 CG GLU A 94 11.800 6.710 0.655 1.00 2.66 C ATOM 1462 CD GLU A 94 12.807 5.587 0.801 1.00 2.63 C ATOM 1463 OE1 GLU A 94 13.331 5.390 1.921 1.00 2.85 O ATOM 1464 OE2 GLU A 94 13.080 4.895 -0.195 1.00 3.03 O ATOM 0 H GLU A 94 9.008 6.499 -1.123 1.00 1.88 H new ATOM 0 HA GLU A 94 10.743 4.422 -0.060 1.00 1.97 H new ATOM 0 HB2 GLU A 94 9.707 7.108 0.846 1.00 2.22 H new ATOM 0 HB3 GLU A 94 10.337 5.992 2.041 1.00 2.22 H new ATOM 0 HG2 GLU A 94 11.829 7.089 -0.366 1.00 2.66 H new ATOM 0 HG3 GLU A 94 12.082 7.535 1.309 1.00 2.66 H new ATOM 1471 N LYS A 95 9.251 3.751 2.038 1.00 1.82 N ATOM 1472 CA LYS A 95 8.357 2.982 2.889 1.00 1.72 C ATOM 1473 C LYS A 95 8.886 2.984 4.319 1.00 1.77 C ATOM 1474 O LYS A 95 9.450 1.994 4.787 1.00 1.96 O ATOM 1475 CB LYS A 95 8.221 1.544 2.375 1.00 1.81 C ATOM 1476 CG LYS A 95 6.931 0.855 2.800 1.00 1.79 C ATOM 1477 CD LYS A 95 5.838 1.005 1.750 1.00 2.06 C ATOM 1478 CE LYS A 95 4.629 0.117 2.044 1.00 2.15 C ATOM 1479 NZ LYS A 95 4.846 -0.790 3.205 1.00 2.38 N ATOM 0 H LYS A 95 10.204 3.825 2.394 1.00 1.82 H new ATOM 0 HA LYS A 95 7.370 3.443 2.869 1.00 1.72 H new ATOM 0 HB2 LYS A 95 8.276 1.551 1.286 1.00 1.81 H new ATOM 0 HB3 LYS A 95 9.068 0.959 2.733 1.00 1.81 H new ATOM 0 HG2 LYS A 95 7.125 -0.203 2.975 1.00 1.79 H new ATOM 0 HG3 LYS A 95 6.588 1.276 3.745 1.00 1.79 H new ATOM 0 HD2 LYS A 95 5.519 2.046 1.706 1.00 2.06 H new ATOM 0 HD3 LYS A 95 6.242 0.753 0.769 1.00 2.06 H new ATOM 0 HE2 LYS A 95 3.761 0.747 2.238 1.00 2.15 H new ATOM 0 HE3 LYS A 95 4.399 -0.479 1.161 1.00 2.15 H new ATOM 0 HZ1 LYS A 95 4.022 -1.415 3.316 1.00 2.38 H new ATOM 0 HZ2 LYS A 95 5.697 -1.365 3.042 1.00 2.38 H new ATOM 0 HZ3 LYS A 95 4.971 -0.224 4.069 1.00 2.38 H new ATOM 1493 N SER A 96 8.740 4.122 4.982 1.00 1.80 N ATOM 1494 CA SER A 96 9.201 4.290 6.350 1.00 1.92 C ATOM 1495 C SER A 96 8.446 3.371 7.310 1.00 1.83 C ATOM 1496 O SER A 96 7.227 3.216 7.211 1.00 1.95 O ATOM 1497 CB SER A 96 9.026 5.750 6.762 1.00 2.15 C ATOM 1498 OG SER A 96 9.476 6.618 5.734 1.00 2.38 O ATOM 0 H SER A 96 8.299 4.953 4.587 1.00 1.80 H new ATOM 0 HA SER A 96 10.255 4.018 6.399 1.00 1.92 H new ATOM 0 HB2 SER A 96 7.976 5.949 6.979 1.00 2.15 H new ATOM 0 HB3 SER A 96 9.583 5.944 7.678 1.00 2.15 H new ATOM 0 HG SER A 96 9.354 7.549 6.015 1.00 2.38 H new ATOM 1504 N ASN A 97 9.183 2.760 8.227 1.00 1.89 N ATOM 1505 CA ASN A 97 8.605 1.855 9.208 1.00 1.93 C ATOM 1506 C ASN A 97 9.439 1.867 10.480 1.00 2.29 C ATOM 1507 O ASN A 97 10.675 1.726 10.378 1.00 2.53 O ATOM 1508 CB ASN A 97 8.534 0.431 8.651 1.00 1.89 C ATOM 1509 CG ASN A 97 7.801 -0.523 9.577 1.00 2.00 C ATOM 1510 OD1 ASN A 97 8.249 -1.644 9.805 1.00 2.24 O ATOM 1511 ND2 ASN A 97 6.662 -0.097 10.102 1.00 1.96 N ATOM 1512 OXT ASN A 97 8.862 2.037 11.571 1.00 2.61 O ATOM 0 H ASN A 97 10.193 2.877 8.311 1.00 1.89 H new ATOM 0 HA ASN A 97 7.594 2.193 9.435 1.00 1.93 H new ATOM 0 HB2 ASN A 97 8.033 0.448 7.683 1.00 1.89 H new ATOM 0 HB3 ASN A 97 9.545 0.061 8.480 1.00 1.89 H new ATOM 0 HD21 ASN A 97 6.125 -0.707 10.719 1.00 1.96 H new ATOM 0 HD22 ASN A 97 6.322 0.841 9.890 1.00 1.96 H new ATOM 1609 N ARG B 189 16.833 0.166 3.238 1.00 2.02 N ATOM 1610 CA ARG B 189 17.058 -0.804 2.156 1.00 1.77 C ATOM 1611 C ARG B 189 17.326 -0.134 0.809 1.00 1.33 C ATOM 1612 O ARG B 189 16.418 0.029 -0.009 1.00 1.67 O ATOM 1613 CB ARG B 189 15.860 -1.750 2.042 1.00 2.37 C ATOM 1614 CG ARG B 189 15.629 -2.593 3.287 1.00 3.12 C ATOM 1615 CD ARG B 189 14.191 -2.488 3.770 1.00 3.82 C ATOM 1616 NE ARG B 189 13.245 -2.760 2.693 1.00 4.33 N ATOM 1617 CZ ARG B 189 11.940 -2.499 2.746 1.00 4.83 C ATOM 1618 NH1 ARG B 189 11.394 -1.995 3.848 1.00 4.91 N ATOM 1619 NH2 ARG B 189 11.174 -2.753 1.694 1.00 5.48 N ATOM 0 HA ARG B 189 17.953 -1.369 2.415 1.00 1.77 H new ATOM 0 HB2 ARG B 189 14.963 -1.164 1.838 1.00 2.37 H new ATOM 0 HB3 ARG B 189 16.010 -2.411 1.188 1.00 2.37 H new ATOM 0 HG2 ARG B 189 15.867 -3.635 3.072 1.00 3.12 H new ATOM 0 HG3 ARG B 189 16.305 -2.269 4.078 1.00 3.12 H new ATOM 0 HD2 ARG B 189 14.028 -3.192 4.586 1.00 3.82 H new ATOM 0 HD3 ARG B 189 14.012 -1.490 4.170 1.00 3.82 H new ATOM 0 HE ARG B 189 13.609 -3.180 1.838 1.00 4.33 H new ATOM 0 HH11 ARG B 189 11.976 -1.804 4.664 1.00 4.91 H new ATOM 0 HH12 ARG B 189 10.393 -1.799 3.878 1.00 4.91 H new ATOM 0 HH21 ARG B 189 11.584 -3.147 0.847 1.00 5.48 H new ATOM 0 HH22 ARG B 189 10.174 -2.554 1.731 1.00 5.48 H new ATOM 1633 N GLY B 190 18.577 0.223 0.568 1.00 1.17 N ATOM 1634 CA GLY B 190 18.925 0.874 -0.675 1.00 1.54 C ATOM 1635 C GLY B 190 20.196 0.319 -1.278 1.00 1.70 C ATOM 1636 O GLY B 190 21.111 1.075 -1.614 1.00 1.97 O ATOM 0 H GLY B 190 19.356 0.074 1.210 1.00 1.17 H new ATOM 0 HA2 GLY B 190 18.107 0.756 -1.386 1.00 1.54 H new ATOM 0 HA3 GLY B 190 19.045 1.943 -0.501 1.00 1.54 H new ATOM 1640 N GLY B 191 20.262 -0.999 -1.390 1.00 1.91 N ATOM 1641 CA GLY B 191 21.429 -1.647 -1.956 1.00 2.36 C ATOM 1642 C GLY B 191 21.777 -2.912 -1.206 1.00 2.17 C ATOM 1643 O GLY B 191 20.945 -3.811 -1.082 1.00 2.71 O ATOM 0 H GLY B 191 19.522 -1.637 -1.097 1.00 1.91 H new ATOM 0 HA2 GLY B 191 21.243 -1.883 -3.004 1.00 2.36 H new ATOM 0 HA3 GLY B 191 22.276 -0.962 -1.929 1.00 2.36 H new ATOM 1647 N TYR B 192 23.011 -2.993 -0.721 1.00 1.71 N ATOM 1648 CA TYR B 192 23.454 -4.149 0.055 1.00 1.86 C ATOM 1649 C TYR B 192 22.603 -4.278 1.308 1.00 1.87 C ATOM 1650 O TYR B 192 22.289 -5.385 1.750 1.00 2.21 O ATOM 1651 CB TYR B 192 24.925 -4.004 0.445 1.00 1.91 C ATOM 1652 CG TYR B 192 25.696 -5.306 0.433 1.00 2.45 C ATOM 1653 CD1 TYR B 192 26.237 -5.803 -0.747 1.00 2.95 C ATOM 1654 CD2 TYR B 192 25.882 -6.038 1.598 1.00 2.80 C ATOM 1655 CE1 TYR B 192 26.945 -6.989 -0.765 1.00 3.62 C ATOM 1656 CE2 TYR B 192 26.589 -7.225 1.588 1.00 3.41 C ATOM 1657 CZ TYR B 192 27.117 -7.696 0.403 1.00 3.77 C ATOM 1658 OH TYR B 192 27.821 -8.877 0.390 1.00 4.48 O ATOM 0 H TYR B 192 23.723 -2.274 -0.850 1.00 1.71 H new ATOM 0 HA TYR B 192 23.343 -5.044 -0.557 1.00 1.86 H new ATOM 0 HB2 TYR B 192 25.404 -3.304 -0.239 1.00 1.91 H new ATOM 0 HB3 TYR B 192 24.985 -3.567 1.442 1.00 1.91 H new ATOM 0 HD1 TYR B 192 26.101 -5.252 -1.666 1.00 2.95 H new ATOM 0 HD2 TYR B 192 25.468 -5.674 2.526 1.00 2.80 H new ATOM 0 HE1 TYR B 192 27.361 -7.359 -1.690 1.00 3.62 H new ATOM 0 HE2 TYR B 192 26.728 -7.782 2.503 1.00 3.41 H new ATOM 0 HH TYR B 192 27.851 -9.250 1.296 1.00 4.48 H new ATOM 1668 N ASP B 193 22.222 -3.131 1.861 1.00 2.08 N ATOM 1669 CA ASP B 193 21.398 -3.076 3.058 1.00 2.57 C ATOM 1670 C ASP B 193 20.904 -1.645 3.269 1.00 2.39 C ATOM 1671 O ASP B 193 20.628 -0.935 2.299 1.00 2.59 O ATOM 1672 CB ASP B 193 22.184 -3.569 4.279 1.00 3.18 C ATOM 1673 CG ASP B 193 21.272 -4.015 5.406 1.00 3.84 C ATOM 1674 OD1 ASP B 193 20.707 -5.123 5.324 1.00 4.22 O ATOM 1675 OD2 ASP B 193 21.104 -3.245 6.371 1.00 4.14 O ATOM 0 H ASP B 193 22.477 -2.215 1.490 1.00 2.08 H new ATOM 0 HA ASP B 193 20.537 -3.733 2.931 1.00 2.57 H new ATOM 0 HB2 ASP B 193 22.827 -4.398 3.984 1.00 3.18 H new ATOM 0 HB3 ASP B 193 22.836 -2.771 4.635 1.00 3.18 H new ATOM 1680 N VAL B 194 20.797 -1.221 4.521 1.00 2.39 N ATOM 1681 CA VAL B 194 20.332 0.123 4.839 1.00 2.62 C ATOM 1682 C VAL B 194 21.384 1.178 4.478 1.00 2.80 C ATOM 1683 O VAL B 194 21.051 2.243 3.958 1.00 3.15 O ATOM 1684 CB VAL B 194 19.954 0.244 6.341 1.00 3.43 C ATOM 1685 CG1 VAL B 194 21.127 -0.134 7.233 1.00 3.97 C ATOM 1686 CG2 VAL B 194 19.456 1.644 6.673 1.00 3.78 C ATOM 0 H VAL B 194 21.027 -1.790 5.336 1.00 2.39 H new ATOM 0 HA VAL B 194 19.441 0.306 4.239 1.00 2.62 H new ATOM 0 HB VAL B 194 19.142 -0.457 6.533 1.00 3.43 H new ATOM 0 HG11 VAL B 194 20.834 -0.040 8.279 1.00 3.97 H new ATOM 0 HG12 VAL B 194 21.422 -1.164 7.030 1.00 3.97 H new ATOM 0 HG13 VAL B 194 21.967 0.530 7.031 1.00 3.97 H new ATOM 0 HG21 VAL B 194 19.199 1.697 7.731 1.00 3.78 H new ATOM 0 HG22 VAL B 194 20.238 2.370 6.452 1.00 3.78 H new ATOM 0 HG23 VAL B 194 18.573 1.868 6.074 1.00 3.78 H new ATOM 1696 N GLU B 195 22.651 0.860 4.719 1.00 2.75 N ATOM 1697 CA GLU B 195 23.742 1.788 4.445 1.00 3.12 C ATOM 1698 C GLU B 195 24.022 1.893 2.943 1.00 2.88 C ATOM 1699 O GLU B 195 23.590 1.044 2.159 1.00 2.39 O ATOM 1700 CB GLU B 195 25.004 1.354 5.203 1.00 3.40 C ATOM 1701 CG GLU B 195 26.056 2.450 5.339 1.00 4.16 C ATOM 1702 CD GLU B 195 25.459 3.799 5.693 1.00 4.65 C ATOM 1703 OE1 GLU B 195 25.067 4.538 4.766 1.00 4.87 O ATOM 1704 OE2 GLU B 195 25.381 4.126 6.897 1.00 5.02 O ATOM 0 H GLU B 195 22.949 -0.036 5.105 1.00 2.75 H new ATOM 0 HA GLU B 195 23.443 2.777 4.793 1.00 3.12 H new ATOM 0 HB2 GLU B 195 24.718 1.014 6.198 1.00 3.40 H new ATOM 0 HB3 GLU B 195 25.448 0.501 4.690 1.00 3.40 H new ATOM 0 HG2 GLU B 195 26.775 2.164 6.107 1.00 4.16 H new ATOM 0 HG3 GLU B 195 26.607 2.536 4.402 1.00 4.16 H new ATOM 1711 N ASN B 196 24.747 2.946 2.564 1.00 3.43 N ATOM 1712 CA ASN B 196 25.103 3.213 1.168 1.00 3.64 C ATOM 1713 C ASN B 196 25.919 2.072 0.564 1.00 3.41 C ATOM 1714 O ASN B 196 25.822 1.813 -0.636 1.00 3.56 O ATOM 1715 CB ASN B 196 25.892 4.521 1.071 1.00 4.47 C ATOM 1716 CG ASN B 196 26.243 4.895 -0.358 1.00 4.94 C ATOM 1717 OD1 ASN B 196 25.440 4.729 -1.278 1.00 5.26 O ATOM 1718 ND2 ASN B 196 27.449 5.399 -0.553 1.00 5.14 N ATOM 0 H ASN B 196 25.106 3.641 3.219 1.00 3.43 H new ATOM 0 HA ASN B 196 24.176 3.299 0.601 1.00 3.64 H new ATOM 0 HB2 ASN B 196 25.308 5.325 1.519 1.00 4.47 H new ATOM 0 HB3 ASN B 196 26.809 4.430 1.653 1.00 4.47 H new ATOM 0 HD21 ASN B 196 27.744 5.666 -1.492 1.00 5.14 H new ATOM 0 HD22 ASN B 196 28.085 5.521 0.235 1.00 5.14 H new ATOM 1725 N GLU B 197 26.730 1.424 1.405 1.00 3.29 N ATOM 1726 CA GLU B 197 27.574 0.289 1.007 1.00 3.26 C ATOM 1727 C GLU B 197 28.741 0.721 0.113 1.00 3.82 C ATOM 1728 O GLU B 197 28.818 1.868 -0.338 1.00 4.30 O ATOM 1729 CB GLU B 197 26.747 -0.814 0.315 1.00 2.93 C ATOM 1730 CG GLU B 197 26.861 -0.819 -1.205 1.00 3.10 C ATOM 1731 CD GLU B 197 26.013 -1.883 -1.855 1.00 3.38 C ATOM 1732 OE1 GLU B 197 24.838 -1.601 -2.166 1.00 3.83 O ATOM 1733 OE2 GLU B 197 26.525 -3.002 -2.058 1.00 3.60 O ATOM 0 H GLU B 197 26.821 1.673 2.390 1.00 3.29 H new ATOM 0 HA GLU B 197 27.995 -0.120 1.925 1.00 3.26 H new ATOM 0 HB2 GLU B 197 27.066 -1.784 0.695 1.00 2.93 H new ATOM 0 HB3 GLU B 197 25.699 -0.693 0.589 1.00 2.93 H new ATOM 0 HG2 GLU B 197 26.567 0.158 -1.589 1.00 3.10 H new ATOM 0 HG3 GLU B 197 27.903 -0.971 -1.485 1.00 3.10 H new ATOM 1740 N GLU B 198 29.657 -0.211 -0.117 1.00 3.91 N ATOM 1741 CA GLU B 198 30.822 0.023 -0.953 1.00 4.52 C ATOM 1742 C GLU B 198 31.125 -1.238 -1.764 1.00 4.64 C ATOM 1743 O GLU B 198 32.254 -1.729 -1.795 1.00 5.16 O ATOM 1744 CB GLU B 198 32.024 0.414 -0.087 1.00 4.90 C ATOM 1745 CG GLU B 198 32.927 1.458 -0.727 1.00 5.36 C ATOM 1746 CD GLU B 198 33.822 0.878 -1.802 1.00 5.99 C ATOM 1747 OE1 GLU B 198 34.719 0.078 -1.465 1.00 6.25 O ATOM 1748 OE2 GLU B 198 33.631 1.214 -2.990 1.00 6.45 O ATOM 0 H GLU B 198 29.611 -1.152 0.273 1.00 3.91 H new ATOM 0 HA GLU B 198 30.619 0.845 -1.640 1.00 4.52 H new ATOM 0 HB2 GLU B 198 31.663 0.795 0.868 1.00 4.90 H new ATOM 0 HB3 GLU B 198 32.611 -0.479 0.128 1.00 4.90 H new ATOM 0 HG2 GLU B 198 32.313 2.248 -1.159 1.00 5.36 H new ATOM 0 HG3 GLU B 198 33.544 1.920 0.044 1.00 5.36 H new ATOM 1755 N LYS B 199 30.091 -1.765 -2.409 1.00 4.32 N ATOM 1756 CA LYS B 199 30.211 -2.968 -3.222 1.00 4.64 C ATOM 1757 C LYS B 199 29.302 -2.881 -4.440 1.00 4.89 C ATOM 1758 O LYS B 199 29.775 -2.838 -5.575 1.00 5.53 O ATOM 1759 CB LYS B 199 29.857 -4.209 -2.400 1.00 4.38 C ATOM 1760 CG LYS B 199 31.042 -4.820 -1.677 1.00 4.54 C ATOM 1761 CD LYS B 199 30.607 -5.934 -0.741 1.00 4.53 C ATOM 1762 CE LYS B 199 30.322 -5.407 0.655 1.00 4.41 C ATOM 1763 NZ LYS B 199 31.573 -5.155 1.420 1.00 4.56 N ATOM 0 H LYS B 199 29.150 -1.372 -2.383 1.00 4.32 H new ATOM 0 HA LYS B 199 31.245 -3.050 -3.557 1.00 4.64 H new ATOM 0 HB2 LYS B 199 29.094 -3.944 -1.668 1.00 4.38 H new ATOM 0 HB3 LYS B 199 29.419 -4.958 -3.060 1.00 4.38 H new ATOM 0 HG2 LYS B 199 31.752 -5.212 -2.406 1.00 4.54 H new ATOM 0 HG3 LYS B 199 31.561 -4.048 -1.109 1.00 4.54 H new ATOM 0 HD2 LYS B 199 29.714 -6.417 -1.138 1.00 4.53 H new ATOM 0 HD3 LYS B 199 31.386 -6.695 -0.692 1.00 4.53 H new ATOM 0 HE2 LYS B 199 29.748 -4.483 0.584 1.00 4.41 H new ATOM 0 HE3 LYS B 199 29.705 -6.125 1.195 1.00 4.41 H new ATOM 0 HZ1 LYS B 199 31.334 -4.813 2.373 1.00 4.56 H new ATOM 0 HZ2 LYS B 199 32.117 -6.038 1.496 1.00 4.56 H new ATOM 0 HZ3 LYS B 199 32.143 -4.438 0.927 1.00 4.56 H new ATOM 1777 N VAL B 200 27.995 -2.842 -4.188 1.00 4.46 N ATOM 1778 CA VAL B 200 26.982 -2.758 -5.237 1.00 4.74 C ATOM 1779 C VAL B 200 27.010 -4.013 -6.107 1.00 5.32 C ATOM 1780 O VAL B 200 27.429 -3.983 -7.265 1.00 5.99 O ATOM 1781 CB VAL B 200 27.152 -1.491 -6.114 1.00 5.22 C ATOM 1782 CG1 VAL B 200 25.946 -1.292 -7.022 1.00 5.43 C ATOM 1783 CG2 VAL B 200 27.370 -0.255 -5.249 1.00 4.96 C ATOM 0 H VAL B 200 27.607 -2.868 -3.245 1.00 4.46 H new ATOM 0 HA VAL B 200 26.012 -2.685 -4.745 1.00 4.74 H new ATOM 0 HB VAL B 200 28.034 -1.635 -6.738 1.00 5.22 H new ATOM 0 HG11 VAL B 200 26.090 -0.397 -7.627 1.00 5.43 H new ATOM 0 HG12 VAL B 200 25.836 -2.158 -7.675 1.00 5.43 H new ATOM 0 HG13 VAL B 200 25.048 -1.179 -6.415 1.00 5.43 H new ATOM 0 HG21 VAL B 200 27.486 0.620 -5.888 1.00 4.96 H new ATOM 0 HG22 VAL B 200 26.511 -0.114 -4.593 1.00 4.96 H new ATOM 0 HG23 VAL B 200 28.269 -0.386 -4.646 1.00 4.96 H new ATOM 1793 N LYS B 201 26.583 -5.127 -5.524 1.00 5.18 N ATOM 1794 CA LYS B 201 26.556 -6.397 -6.239 1.00 5.84 C ATOM 1795 C LYS B 201 25.388 -7.268 -5.781 1.00 5.78 C ATOM 1796 O LYS B 201 25.252 -8.416 -6.209 1.00 6.37 O ATOM 1797 CB LYS B 201 27.880 -7.142 -6.037 1.00 6.17 C ATOM 1798 CG LYS B 201 28.262 -7.322 -4.574 1.00 5.81 C ATOM 1799 CD LYS B 201 29.712 -7.753 -4.417 1.00 6.12 C ATOM 1800 CE LYS B 201 29.921 -9.204 -4.816 1.00 6.82 C ATOM 1801 NZ LYS B 201 29.217 -10.145 -3.903 1.00 7.02 N ATOM 0 H LYS B 201 26.252 -5.177 -4.561 1.00 5.18 H new ATOM 0 HA LYS B 201 26.421 -6.184 -7.299 1.00 5.84 H new ATOM 0 HB2 LYS B 201 27.811 -8.122 -6.509 1.00 6.17 H new ATOM 0 HB3 LYS B 201 28.675 -6.598 -6.547 1.00 6.17 H new ATOM 0 HG2 LYS B 201 28.101 -6.386 -4.039 1.00 5.81 H new ATOM 0 HG3 LYS B 201 27.610 -8.067 -4.117 1.00 5.81 H new ATOM 0 HD2 LYS B 201 30.348 -7.114 -5.029 1.00 6.12 H new ATOM 0 HD3 LYS B 201 30.021 -7.614 -3.381 1.00 6.12 H new ATOM 0 HE2 LYS B 201 29.564 -9.354 -5.835 1.00 6.82 H new ATOM 0 HE3 LYS B 201 30.987 -9.429 -4.815 1.00 6.82 H new ATOM 0 HZ1 LYS B 201 29.606 -11.102 -4.024 1.00 7.02 H new ATOM 0 HZ2 LYS B 201 29.351 -9.839 -2.918 1.00 7.02 H new ATOM 0 HZ3 LYS B 201 28.202 -10.153 -4.128 1.00 7.02 H new ATOM 1815 N LEU B 202 24.540 -6.722 -4.917 1.00 5.18 N ATOM 1816 CA LEU B 202 23.393 -7.459 -4.402 1.00 5.23 C ATOM 1817 C LEU B 202 22.148 -6.584 -4.401 1.00 4.95 C ATOM 1818 O LEU B 202 22.098 -5.562 -3.721 1.00 4.37 O ATOM 1819 CB LEU B 202 23.669 -7.968 -2.982 1.00 4.91 C ATOM 1820 CG LEU B 202 24.537 -9.227 -2.889 1.00 5.32 C ATOM 1821 CD1 LEU B 202 24.668 -9.673 -1.443 1.00 5.10 C ATOM 1822 CD2 LEU B 202 23.951 -10.348 -3.738 1.00 6.12 C ATOM 0 H LEU B 202 24.626 -5.771 -4.558 1.00 5.18 H new ATOM 0 HA LEU B 202 23.223 -8.314 -5.057 1.00 5.23 H new ATOM 0 HB2 LEU B 202 24.153 -7.171 -2.417 1.00 4.91 H new ATOM 0 HB3 LEU B 202 22.715 -8.169 -2.495 1.00 4.91 H new ATOM 0 HG LEU B 202 25.529 -8.989 -3.272 1.00 5.32 H new ATOM 0 HD11 LEU B 202 25.287 -10.569 -1.393 1.00 5.10 H new ATOM 0 HD12 LEU B 202 25.131 -8.879 -0.858 1.00 5.10 H new ATOM 0 HD13 LEU B 202 23.680 -9.892 -1.039 1.00 5.10 H new ATOM 0 HD21 LEU B 202 24.582 -11.233 -3.658 1.00 6.12 H new ATOM 0 HD22 LEU B 202 22.947 -10.585 -3.385 1.00 6.12 H new ATOM 0 HD23 LEU B 202 23.903 -10.029 -4.779 1.00 6.12 H new ATOM 1834 N GLY B 203 21.148 -6.990 -5.167 1.00 5.44 N ATOM 1835 CA GLY B 203 19.916 -6.232 -5.239 1.00 5.30 C ATOM 1836 C GLY B 203 18.835 -6.816 -4.352 1.00 5.32 C ATOM 1837 O GLY B 203 17.689 -6.368 -4.385 1.00 5.33 O ATOM 0 H GLY B 203 21.167 -7.833 -5.742 1.00 5.44 H new ATOM 0 HA2 GLY B 203 20.108 -5.200 -4.944 1.00 5.30 H new ATOM 0 HA3 GLY B 203 19.565 -6.209 -6.271 1.00 5.30 H new ATOM 1841 N MET B 204 19.210 -7.801 -3.542 1.00 5.45 N ATOM 1842 CA MET B 204 18.268 -8.470 -2.640 1.00 5.69 C ATOM 1843 C MET B 204 17.705 -7.504 -1.595 1.00 5.11 C ATOM 1844 O MET B 204 16.610 -7.714 -1.072 1.00 5.36 O ATOM 1845 CB MET B 204 18.942 -9.661 -1.946 1.00 6.02 C ATOM 1846 CG MET B 204 20.129 -9.277 -1.076 1.00 5.50 C ATOM 1847 SD MET B 204 20.725 -10.639 -0.050 1.00 6.01 S ATOM 1848 CE MET B 204 21.315 -11.783 -1.295 1.00 6.67 C ATOM 0 H MET B 204 20.164 -8.158 -3.489 1.00 5.45 H new ATOM 0 HA MET B 204 17.437 -8.832 -3.245 1.00 5.69 H new ATOM 0 HB2 MET B 204 18.204 -10.175 -1.330 1.00 6.02 H new ATOM 0 HB3 MET B 204 19.274 -10.370 -2.704 1.00 6.02 H new ATOM 0 HG2 MET B 204 20.941 -8.928 -1.713 1.00 5.50 H new ATOM 0 HG3 MET B 204 19.846 -8.443 -0.434 1.00 5.50 H new ATOM 0 HE1 MET B 204 20.745 -12.710 -1.237 1.00 6.67 H new ATOM 0 HE2 MET B 204 21.189 -11.341 -2.284 1.00 6.67 H new ATOM 0 HE3 MET B 204 22.370 -11.995 -1.124 1.00 6.67 H new ATOM 1858 N THR B 205 18.454 -6.454 -1.296 1.00 4.40 N ATOM 1859 CA THR B 205 18.029 -5.463 -0.319 1.00 3.86 C ATOM 1860 C THR B 205 17.962 -4.077 -0.955 1.00 3.22 C ATOM 1861 O THR B 205 18.051 -3.057 -0.271 1.00 2.61 O ATOM 1862 CB THR B 205 18.993 -5.429 0.879 1.00 3.67 C ATOM 1863 OG1 THR B 205 20.024 -6.414 0.702 1.00 3.95 O ATOM 1864 CG2 THR B 205 18.255 -5.693 2.181 1.00 4.16 C ATOM 0 H THR B 205 19.363 -6.266 -1.718 1.00 4.40 H new ATOM 0 HA THR B 205 17.036 -5.746 0.032 1.00 3.86 H new ATOM 0 HB THR B 205 19.438 -4.435 0.930 1.00 3.67 H new ATOM 0 HG1 THR B 205 20.815 -6.156 1.219 1.00 3.95 H new ATOM 0 HG21 THR B 205 18.960 -5.663 3.012 1.00 4.16 H new ATOM 0 HG22 THR B 205 17.490 -4.930 2.327 1.00 4.16 H new ATOM 0 HG23 THR B 205 17.784 -6.675 2.140 1.00 4.16 H new ATOM 1872 N ASN B 206 17.815 -4.047 -2.275 1.00 3.55 N ATOM 1873 CA ASN B 206 17.737 -2.784 -3.007 1.00 3.31 C ATOM 1874 C ASN B 206 16.332 -2.209 -2.917 1.00 3.04 C ATOM 1875 O ASN B 206 16.107 -1.026 -3.164 1.00 2.62 O ATOM 1876 CB ASN B 206 18.124 -2.989 -4.473 1.00 4.07 C ATOM 1877 CG ASN B 206 18.514 -1.695 -5.162 1.00 4.18 C ATOM 1878 OD1 ASN B 206 17.672 -0.987 -5.711 1.00 4.40 O ATOM 1879 ND2 ASN B 206 19.802 -1.381 -5.142 1.00 4.21 N ATOM 0 H ASN B 206 17.747 -4.879 -2.861 1.00 3.55 H new ATOM 0 HA ASN B 206 18.437 -2.081 -2.555 1.00 3.31 H new ATOM 0 HB2 ASN B 206 18.956 -3.691 -4.530 1.00 4.07 H new ATOM 0 HB3 ASN B 206 17.287 -3.442 -5.005 1.00 4.07 H new ATOM 0 HD21 ASN B 206 20.125 -0.525 -5.593 1.00 4.21 H new ATOM 0 HD22 ASN B 206 20.470 -1.995 -4.676 1.00 4.21 H new ATOM 1886 N SER B 207 15.386 -3.069 -2.570 1.00 3.47 N ATOM 1887 CA SER B 207 13.991 -2.674 -2.439 1.00 3.42 C ATOM 1888 C SER B 207 13.286 -3.565 -1.418 1.00 3.82 C ATOM 1889 O SER B 207 12.309 -3.153 -0.785 1.00 4.01 O ATOM 1890 CB SER B 207 13.281 -2.757 -3.795 1.00 3.85 C ATOM 1891 OG SER B 207 13.961 -1.987 -4.775 1.00 3.99 O ATOM 0 H SER B 207 15.562 -4.054 -2.372 1.00 3.47 H new ATOM 0 HA SER B 207 13.953 -1.642 -2.091 1.00 3.42 H new ATOM 0 HB2 SER B 207 13.227 -3.797 -4.118 1.00 3.85 H new ATOM 0 HB3 SER B 207 12.256 -2.401 -3.695 1.00 3.85 H new ATOM 0 HG SER B 207 13.490 -2.057 -5.631 1.00 3.99 H new ATOM 1897 N HIS B 208 13.788 -4.783 -1.257 1.00 4.12 N ATOM 1898 CA HIS B 208 13.213 -5.726 -0.310 1.00 4.71 C ATOM 1899 C HIS B 208 13.809 -5.497 1.068 1.00 4.82 C ATOM 1900 O HIS B 208 13.079 -5.659 2.063 1.00 5.20 O ATOM 1901 CB HIS B 208 13.464 -7.172 -0.752 1.00 5.42 C ATOM 1902 CG HIS B 208 12.603 -8.177 -0.045 1.00 6.08 C ATOM 1903 ND1 HIS B 208 12.289 -8.089 1.293 1.00 6.30 N ATOM 1904 CD2 HIS B 208 11.984 -9.290 -0.499 1.00 6.75 C ATOM 1905 CE1 HIS B 208 11.519 -9.102 1.632 1.00 6.95 C ATOM 1906 NE2 HIS B 208 11.318 -9.845 0.563 1.00 7.22 N ATOM 1907 OXT HIS B 208 15.004 -5.165 1.149 1.00 4.71 O ATOM 0 H HIS B 208 14.593 -5.140 -1.771 1.00 4.12 H new ATOM 0 HA HIS B 208 12.136 -5.562 -0.274 1.00 4.71 H new ATOM 0 HB2 HIS B 208 13.291 -7.250 -1.825 1.00 5.42 H new ATOM 0 HB3 HIS B 208 14.512 -7.419 -0.579 1.00 5.42 H new ATOM 0 HD1 HIS B 208 12.604 -7.352 1.924 1.00 6.30 H new ATOM 0 HD2 HIS B 208 12.009 -9.671 -1.509 1.00 6.75 H new ATOM 0 HE1 HIS B 208 11.120 -9.291 2.618 1.00 6.95 H new