USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 586 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 116:sc= 0.145 USER MOD Set 1.2: A 57 SER OG : rot -78:sc= 1.37 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.17 K(o=1.2,f=-0.8) USER MOD Set 3.1: A 6 LYS NZ :NH3+ 175:sc= 2.36 (180deg=1.13) USER MOD Set 3.2: A 12 THR OG1 : rot 95:sc= 0.987 USER MOD Single : A 1 MET CE :methyl -166:sc= -0.155 (180deg=-0.304) USER MOD Single : A 1 MET N :NH3+ 180:sc= 2.29 (180deg=2.29) USER MOD Single : A 2 GLN : amide:sc= -0.431 K(o=-0.43,f=-1.2) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0723 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 162:sc= 0.685 (180deg=-0.346!) USER MOD Single : A 14 THR OG1 : rot -91:sc= 0.0212 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 1.83 (180deg=1.72) USER MOD Single : A 29 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.18) USER MOD Single : A 31 GLN : amide:sc= -0.572 X(o=-0.57,f=-1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.994 K(o=0.99,f=-6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.758 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 168:sc= -0.0378 (180deg=-0.328) USER MOD Single : A 65 SER OG : rot 74:sc= 1.22 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.504 -6.926 -5.108 1.00 9.67 N ATOM 2 CA MET A 1 11.446 -7.302 -3.667 1.00 10.38 C ATOM 3 C MET A 1 10.038 -7.521 -3.152 1.00 9.62 C ATOM 4 O MET A 1 9.077 -7.183 -3.854 1.00 9.62 O ATOM 5 CB MET A 1 12.264 -6.309 -2.755 1.00 13.77 C ATOM 6 CG MET A 1 11.588 -4.951 -2.524 1.00 16.29 C ATOM 7 SD MET A 1 12.469 -3.858 -1.471 1.00 17.17 S ATOM 8 CE MET A 1 10.992 -2.864 -1.032 1.00 16.11 C ATOM 0 H1 MET A 1 12.495 -6.792 -5.392 1.00 9.67 H new ATOM 0 H2 MET A 1 11.079 -7.682 -5.681 1.00 9.67 H new ATOM 0 H3 MET A 1 10.979 -6.041 -5.257 1.00 9.67 H new ATOM 0 HA MET A 1 11.936 -8.274 -3.603 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.438 -6.783 -1.789 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.241 -6.141 -3.208 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.443 -4.465 -3.489 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.598 -5.121 -2.101 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.307 -1.935 -0.556 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.426 -2.636 -1.935 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.364 -3.430 -0.343 1.00 16.11 H new ATOM 20 N GLN A 2 10.035 -8.204 -2.004 1.00 9.27 N ATOM 21 CA GLN A 2 8.817 -8.605 -1.289 1.00 9.07 C ATOM 22 C GLN A 2 8.377 -7.763 -0.169 1.00 8.72 C ATOM 23 O GLN A 2 9.219 -7.383 0.673 1.00 8.22 O ATOM 24 CB GLN A 2 8.961 -10.103 -0.809 1.00 14.46 C ATOM 25 CG GLN A 2 7.604 -10.742 -0.310 1.00 17.01 C ATOM 26 CD GLN A 2 7.777 -12.205 0.231 1.00 20.10 C ATOM 27 OE1 GLN A 2 6.955 -13.098 0.059 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.939 -12.501 0.882 1.00 19.49 N ATOM 0 H GLN A 2 10.892 -8.499 -1.536 1.00 9.27 H new ATOM 0 HA GLN A 2 8.026 -8.475 -2.027 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.355 -10.702 -1.630 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.692 -10.148 -0.002 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.182 -10.117 0.477 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.887 -10.747 -1.131 1.00 17.01 H new ATOM 0 HE21 GLN A 2 9.637 -11.773 1.036 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.110 -13.450 1.215 1.00 19.49 H new ATOM 37 N ILE A 3 7.080 -7.440 -0.067 1.00 5.87 N ATOM 38 CA ILE A 3 6.554 -6.794 1.129 1.00 5.07 C ATOM 39 C ILE A 3 5.244 -7.446 1.463 1.00 4.01 C ATOM 40 O ILE A 3 4.618 -8.099 0.643 1.00 4.61 O ATOM 41 CB ILE A 3 6.325 -5.271 1.042 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.590 -4.920 -0.302 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.677 -4.676 1.182 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.265 -3.421 -0.296 1.00 10.83 C ATOM 0 H ILE A 3 6.387 -7.616 -0.794 1.00 5.87 H new ATOM 0 HA ILE A 3 7.323 -6.922 1.891 1.00 5.07 H new ATOM 0 HB ILE A 3 5.673 -4.871 1.818 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.221 -5.168 -1.156 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.676 -5.506 -0.399 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.604 -3.590 1.131 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.105 -4.966 2.142 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.318 -5.035 0.376 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.754 -3.156 -1.221 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.621 -3.192 0.553 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.189 -2.849 -0.215 1.00 10.83 H new ATOM 56 N PHE A 4 4.749 -7.322 2.712 1.00 4.55 N ATOM 57 CA PHE A 4 3.483 -7.833 3.139 1.00 4.68 C ATOM 58 C PHE A 4 2.566 -6.659 3.495 1.00 5.30 C ATOM 59 O PHE A 4 3.006 -5.698 4.113 1.00 5.58 O ATOM 60 CB PHE A 4 3.565 -8.729 4.411 1.00 4.83 C ATOM 61 CG PHE A 4 4.664 -9.792 4.162 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.385 -10.798 3.239 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.990 -9.659 4.675 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.303 -11.740 2.849 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.911 -10.669 4.338 1.00 10.61 C ATOM 66 CZ PHE A 4 6.570 -11.671 3.408 1.00 8.90 C ATOM 0 H PHE A 4 5.257 -6.843 3.456 1.00 4.55 H new ATOM 0 HA PHE A 4 3.110 -8.437 2.312 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.805 -8.128 5.288 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.605 -9.208 4.605 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.395 -10.838 2.809 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.274 -8.821 5.294 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.048 -12.507 2.133 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.889 -10.676 4.797 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.313 -12.402 3.124 1.00 8.90 H new ATOM 76 N VAL A 5 1.248 -6.794 3.167 1.00 4.44 N ATOM 77 CA VAL A 5 0.247 -5.821 3.521 1.00 3.87 C ATOM 78 C VAL A 5 -0.837 -6.567 4.358 1.00 4.93 C ATOM 79 O VAL A 5 -1.261 -7.679 4.054 1.00 6.84 O ATOM 80 CB VAL A 5 -0.322 -5.219 2.277 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.450 -4.246 2.599 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.778 -4.450 1.470 1.00 9.13 C ATOM 0 H VAL A 5 0.880 -7.592 2.649 1.00 4.44 H new ATOM 0 HA VAL A 5 0.661 -5.003 4.110 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.711 -6.043 1.678 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.843 -3.825 1.673 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.246 -4.773 3.125 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.069 -3.443 3.230 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.337 -4.022 0.570 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.190 -3.651 2.087 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.574 -5.140 1.191 1.00 9.13 H new ATOM 92 N LYS A 6 -1.187 -5.941 5.498 1.00 6.04 N ATOM 93 CA LYS A 6 -2.122 -6.526 6.484 1.00 6.12 C ATOM 94 C LYS A 6 -3.401 -5.743 6.512 1.00 6.57 C ATOM 95 O LYS A 6 -3.287 -4.518 6.636 1.00 5.76 O ATOM 96 CB LYS A 6 -1.525 -6.547 7.898 1.00 7.45 C ATOM 97 CG LYS A 6 -2.132 -7.530 8.854 1.00 11.12 C ATOM 98 CD LYS A 6 -2.146 -8.978 8.346 1.00 14.54 C ATOM 99 CE LYS A 6 -2.336 -9.946 9.498 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.734 -11.282 8.979 1.00 20.55 N ATOM 0 H LYS A 6 -0.833 -5.021 5.762 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.313 -7.553 6.173 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.459 -6.760 7.818 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.620 -5.549 8.326 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.582 -7.492 9.794 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.155 -7.224 9.071 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.949 -9.107 7.620 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.211 -9.197 7.830 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -1.412 -10.029 10.070 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.099 -9.569 10.179 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -2.780 -11.961 9.766 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -3.667 -11.214 8.525 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -2.033 -11.607 8.282 1.00 20.55 H new ATOM 114 N THR A 7 -4.594 -6.359 6.463 1.00 7.41 N ATOM 115 CA THR A 7 -5.830 -5.644 6.430 1.00 7.48 C ATOM 116 C THR A 7 -6.486 -5.438 7.802 1.00 8.75 C ATOM 117 O THR A 7 -6.166 -6.150 8.778 1.00 8.58 O ATOM 118 CB THR A 7 -6.891 -6.181 5.444 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.512 -7.363 5.821 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.253 -6.443 4.063 1.00 9.17 C ATOM 0 H THR A 7 -4.702 -7.373 6.446 1.00 7.41 H new ATOM 0 HA THR A 7 -5.493 -4.678 6.053 1.00 7.48 H new ATOM 0 HB THR A 7 -7.649 -5.398 5.426 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.165 -7.622 5.138 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.012 -6.821 3.378 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.840 -5.514 3.671 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.456 -7.180 4.164 1.00 9.17 H new ATOM 128 N LEU A 8 -7.420 -4.458 7.932 1.00 9.84 N ATOM 129 CA LEU A 8 -8.194 -4.108 9.133 1.00 14.15 C ATOM 130 C LEU A 8 -8.833 -5.300 9.740 1.00 17.37 C ATOM 131 O LEU A 8 -8.634 -5.448 10.977 1.00 17.01 O ATOM 132 CB LEU A 8 -9.204 -2.962 8.831 1.00 16.63 C ATOM 133 CG LEU A 8 -9.547 -2.062 10.039 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.424 -2.784 11.109 1.00 19.31 C ATOM 135 CD2 LEU A 8 -8.293 -1.487 10.725 1.00 18.59 C ATOM 0 H LEU A 8 -7.661 -3.858 7.143 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.502 -3.726 9.884 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.796 -2.338 8.036 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.126 -3.401 8.450 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.125 -1.242 9.613 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.631 -2.100 11.932 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -11.363 -3.101 10.656 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.891 -3.656 11.488 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -8.593 -0.863 11.567 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.668 -2.304 11.084 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.730 -0.887 10.010 1.00 18.59 H new ATOM 147 N THR A 9 -9.570 -6.206 9.040 1.00 18.33 N ATOM 148 CA THR A 9 -10.197 -7.430 9.561 1.00 19.24 C ATOM 149 C THR A 9 -9.234 -8.621 9.517 1.00 19.48 C ATOM 150 O THR A 9 -9.597 -9.561 10.234 1.00 23.14 O ATOM 151 CB THR A 9 -11.514 -7.709 8.871 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.306 -7.835 7.455 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.435 -6.481 9.129 1.00 19.70 C ATOM 0 H THR A 9 -9.746 -6.085 8.043 1.00 18.33 H new ATOM 0 HA THR A 9 -10.428 -7.268 10.614 1.00 19.24 H new ATOM 0 HB THR A 9 -11.955 -8.631 9.250 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.162 -8.017 7.014 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.399 -6.642 8.647 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.582 -6.356 10.202 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.969 -5.585 8.720 1.00 19.70 H new ATOM 161 N GLY A 10 -8.086 -8.579 8.830 1.00 19.43 N ATOM 162 CA GLY A 10 -6.924 -9.404 9.235 1.00 18.74 C ATOM 163 C GLY A 10 -6.247 -10.170 8.108 1.00 17.62 C ATOM 164 O GLY A 10 -5.295 -10.923 8.361 1.00 19.74 O ATOM 0 H GLY A 10 -7.930 -7.998 8.007 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.185 -8.756 9.706 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.251 -10.117 9.992 1.00 18.74 H new ATOM 168 N LYS A 11 -6.663 -10.065 6.894 1.00 13.56 N ATOM 169 CA LYS A 11 -6.022 -10.769 5.801 1.00 11.91 C ATOM 170 C LYS A 11 -4.615 -10.281 5.505 1.00 10.18 C ATOM 171 O LYS A 11 -4.374 -9.057 5.601 1.00 9.10 O ATOM 172 CB LYS A 11 -6.917 -10.501 4.533 1.00 13.43 C ATOM 173 CG LYS A 11 -6.414 -11.085 3.214 1.00 16.69 C ATOM 174 CD LYS A 11 -7.326 -10.604 2.001 1.00 17.92 C ATOM 175 CE LYS A 11 -8.802 -10.974 2.227 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.464 -11.207 0.924 1.00 21.93 N ATOM 0 H LYS A 11 -7.458 -9.491 6.614 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.932 -11.822 6.066 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.913 -10.900 4.726 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.024 -9.423 4.411 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.382 -10.777 3.044 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.417 -12.174 3.268 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.234 -9.525 1.881 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.973 -11.059 1.076 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.872 -11.868 2.846 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -9.309 -10.173 2.765 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -10.344 -11.740 1.072 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.683 -10.294 0.478 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.830 -11.751 0.305 1.00 21.93 H new ATOM 190 N THR A 12 -3.676 -11.140 5.065 1.00 9.63 N ATOM 191 CA THR A 12 -2.361 -10.779 4.693 1.00 9.85 C ATOM 192 C THR A 12 -2.306 -10.906 3.145 1.00 11.66 C ATOM 193 O THR A 12 -2.677 -11.949 2.531 1.00 12.33 O ATOM 194 CB THR A 12 -1.187 -11.654 5.324 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.206 -11.876 6.708 1.00 10.91 O ATOM 196 CG2 THR A 12 0.144 -10.912 5.032 1.00 9.63 C ATOM 0 H THR A 12 -3.855 -12.139 4.967 1.00 9.63 H new ATOM 0 HA THR A 12 -2.181 -9.774 5.075 1.00 9.85 H new ATOM 0 HB THR A 12 -1.309 -12.636 4.868 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.643 -12.733 6.896 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.976 -11.480 5.449 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.276 -10.812 3.955 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.116 -9.922 5.487 1.00 9.63 H new ATOM 204 N ILE A 13 -1.765 -9.809 2.526 1.00 10.42 N ATOM 205 CA ILE A 13 -1.621 -9.753 1.080 1.00 11.84 C ATOM 206 C ILE A 13 -0.167 -9.660 0.825 1.00 10.55 C ATOM 207 O ILE A 13 0.509 -9.018 1.632 1.00 11.92 O ATOM 208 CB ILE A 13 -2.369 -8.617 0.344 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.786 -8.561 0.868 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.426 -8.925 -1.190 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.513 -7.363 0.266 1.00 16.46 C ATOM 0 H ILE A 13 -1.435 -8.979 3.018 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.093 -10.647 0.672 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.851 -7.672 0.510 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.313 -9.481 0.617 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.779 -8.485 1.955 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.954 -8.121 -1.703 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.412 -9.002 -1.583 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.951 -9.866 -1.353 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.534 -7.328 0.647 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.991 -6.446 0.540 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.534 -7.458 -0.820 1.00 16.46 H new ATOM 223 N THR A 14 0.414 -10.326 -0.190 1.00 9.39 N ATOM 224 CA THR A 14 1.832 -10.417 -0.446 1.00 9.63 C ATOM 225 C THR A 14 2.044 -9.729 -1.737 1.00 11.20 C ATOM 226 O THR A 14 1.260 -9.904 -2.656 1.00 11.63 O ATOM 227 CB THR A 14 2.418 -11.797 -0.416 1.00 10.38 C ATOM 228 OG1 THR A 14 2.213 -12.360 0.862 1.00 16.30 O ATOM 229 CG2 THR A 14 3.892 -11.743 -0.668 1.00 11.66 C ATOM 0 H THR A 14 -0.137 -10.836 -0.880 1.00 9.39 H new ATOM 0 HA THR A 14 2.374 -9.943 0.372 1.00 9.63 H new ATOM 0 HB THR A 14 1.935 -12.397 -1.187 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.983 -12.161 1.434 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.303 -12.752 -0.643 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.078 -11.300 -1.646 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.371 -11.137 0.102 1.00 11.66 H new ATOM 237 N LEU A 15 3.145 -8.970 -1.852 1.00 8.29 N ATOM 238 CA LEU A 15 3.384 -8.133 -2.963 1.00 9.03 C ATOM 239 C LEU A 15 4.801 -8.063 -3.445 1.00 8.59 C ATOM 240 O LEU A 15 5.722 -8.002 -2.620 1.00 7.79 O ATOM 241 CB LEU A 15 3.070 -6.671 -2.642 1.00 11.08 C ATOM 242 CG LEU A 15 1.638 -6.302 -2.235 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.758 -4.833 -1.727 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.618 -6.562 -3.359 1.00 15.27 C ATOM 0 H LEU A 15 3.884 -8.944 -1.149 1.00 8.29 H new ATOM 0 HA LEU A 15 2.745 -8.591 -3.718 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.734 -6.358 -1.836 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.329 -6.076 -3.518 1.00 11.08 H new ATOM 0 HG LEU A 15 1.227 -6.931 -1.445 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.778 -4.476 -1.411 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.448 -4.795 -0.884 1.00 15.88 H new ATOM 0 HD13 LEU A 15 2.133 -4.199 -2.531 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.379 -6.284 -3.017 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.881 -5.967 -4.234 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.629 -7.620 -3.623 1.00 15.27 H new ATOM 256 N GLU A 16 4.990 -8.007 -4.768 1.00 11.04 N ATOM 257 CA GLU A 16 6.333 -7.973 -5.336 1.00 11.50 C ATOM 258 C GLU A 16 6.371 -6.567 -5.954 1.00 10.13 C ATOM 259 O GLU A 16 5.415 -6.163 -6.609 1.00 9.83 O ATOM 260 CB GLU A 16 6.431 -9.049 -6.415 1.00 17.22 C ATOM 261 CG GLU A 16 7.721 -9.180 -7.259 1.00 23.33 C ATOM 262 CD GLU A 16 9.022 -9.236 -6.560 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.275 -10.288 -5.894 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.901 -8.293 -6.686 1.00 28.86 O ATOM 0 H GLU A 16 4.236 -7.985 -5.455 1.00 11.04 H new ATOM 0 HA GLU A 16 7.146 -8.156 -4.633 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.261 -10.011 -5.931 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.605 -8.890 -7.108 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.631 -10.083 -7.863 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.752 -8.337 -7.949 1.00 23.33 H new ATOM 271 N VAL A 17 7.479 -5.839 -5.714 1.00 8.99 N ATOM 272 CA VAL A 17 7.631 -4.379 -5.920 1.00 8.85 C ATOM 273 C VAL A 17 9.065 -4.102 -6.308 1.00 8.04 C ATOM 274 O VAL A 17 9.949 -4.940 -6.268 1.00 8.99 O ATOM 275 CB VAL A 17 7.356 -3.536 -4.654 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.900 -3.809 -4.257 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.309 -3.785 -3.431 1.00 10.54 C ATOM 0 H VAL A 17 8.332 -6.268 -5.355 1.00 8.99 H new ATOM 0 HA VAL A 17 6.904 -4.100 -6.683 1.00 8.85 H new ATOM 0 HB VAL A 17 7.550 -2.495 -4.912 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.653 -3.235 -3.364 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.239 -3.514 -5.072 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.772 -4.872 -4.052 1.00 12.05 H new ATOM 0 HG21 VAL A 17 8.017 -3.137 -2.605 1.00 10.54 H new ATOM 0 HG22 VAL A 17 8.235 -4.827 -3.119 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.337 -3.565 -3.720 1.00 10.54 H new ATOM 287 N GLU A 18 9.296 -2.815 -6.650 1.00 7.29 N ATOM 288 CA GLU A 18 10.616 -2.227 -6.908 1.00 7.08 C ATOM 289 C GLU A 18 10.721 -1.068 -5.898 1.00 6.45 C ATOM 290 O GLU A 18 9.675 -0.427 -5.779 1.00 5.28 O ATOM 291 CB GLU A 18 10.752 -1.747 -8.359 1.00 10.28 C ATOM 292 CG GLU A 18 12.118 -1.150 -8.882 1.00 12.65 C ATOM 293 CD GLU A 18 13.234 -2.171 -8.993 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.113 -3.305 -9.441 1.00 18.17 O ATOM 295 OE2 GLU A 18 14.382 -1.798 -8.584 1.00 14.33 O ATOM 0 H GLU A 18 8.539 -2.140 -6.756 1.00 7.29 H new ATOM 0 HA GLU A 18 11.423 -2.949 -6.784 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.503 -2.591 -9.002 1.00 10.28 H new ATOM 0 HB3 GLU A 18 9.987 -0.988 -8.520 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.954 -0.698 -9.860 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.435 -0.352 -8.211 1.00 12.65 H new ATOM 302 N PRO A 19 11.803 -0.646 -5.263 1.00 7.24 N ATOM 303 CA PRO A 19 11.810 0.532 -4.366 1.00 7.07 C ATOM 304 C PRO A 19 11.411 1.818 -5.076 1.00 6.65 C ATOM 305 O PRO A 19 11.212 2.882 -4.481 1.00 6.37 O ATOM 306 CB PRO A 19 13.228 0.651 -3.842 1.00 7.61 C ATOM 307 CG PRO A 19 13.771 -0.794 -4.007 1.00 8.16 C ATOM 308 CD PRO A 19 12.972 -1.486 -5.153 1.00 7.49 C ATOM 0 HA PRO A 19 11.078 0.392 -3.570 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.813 1.372 -4.414 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.250 0.976 -2.802 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.835 -0.776 -4.243 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.660 -1.350 -3.076 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.539 -1.517 -6.083 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.712 -2.515 -4.904 1.00 7.49 H new ATOM 316 N SER A 20 11.442 1.774 -6.433 1.00 6.80 N ATOM 317 CA SER A 20 11.108 2.891 -7.323 1.00 6.28 C ATOM 318 C SER A 20 9.616 2.892 -7.763 1.00 8.45 C ATOM 319 O SER A 20 9.227 3.751 -8.558 1.00 7.26 O ATOM 320 CB SER A 20 11.950 2.896 -8.585 1.00 8.57 C ATOM 321 OG SER A 20 13.352 2.949 -8.255 1.00 11.13 O ATOM 0 H SER A 20 11.709 0.931 -6.942 1.00 6.80 H new ATOM 0 HA SER A 20 11.315 3.780 -6.727 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.742 2.001 -9.172 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.683 3.753 -9.204 1.00 8.57 H new ATOM 0 HG SER A 20 13.882 2.950 -9.079 1.00 11.13 H new ATOM 327 N ASP A 21 8.778 1.985 -7.286 1.00 7.50 N ATOM 328 CA ASP A 21 7.344 2.064 -7.543 1.00 7.70 C ATOM 329 C ASP A 21 6.668 3.178 -6.743 1.00 7.08 C ATOM 330 O ASP A 21 6.864 3.329 -5.544 1.00 8.11 O ATOM 331 CB ASP A 21 6.554 0.751 -7.067 1.00 11.00 C ATOM 332 CG ASP A 21 6.569 -0.305 -8.092 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.195 -0.013 -9.247 1.00 18.03 O ATOM 334 OD2 ASP A 21 6.956 -1.459 -7.751 1.00 14.36 O ATOM 0 H ASP A 21 9.063 1.186 -6.720 1.00 7.50 H new ATOM 0 HA ASP A 21 7.292 2.220 -8.621 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.003 0.371 -6.149 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.522 1.014 -6.833 1.00 11.00 H new ATOM 339 N THR A 22 5.763 3.932 -7.414 1.00 5.37 N ATOM 340 CA THR A 22 4.873 4.881 -6.751 1.00 6.01 C ATOM 341 C THR A 22 3.873 4.239 -5.910 1.00 8.01 C ATOM 342 O THR A 22 3.494 3.096 -6.256 1.00 8.11 O ATOM 343 CB THR A 22 4.229 6.034 -7.619 1.00 8.92 C ATOM 344 OG1 THR A 22 3.302 5.468 -8.570 1.00 10.22 O ATOM 345 CG2 THR A 22 5.324 6.766 -8.459 1.00 9.65 C ATOM 0 H THR A 22 5.640 3.890 -8.426 1.00 5.37 H new ATOM 0 HA THR A 22 5.588 5.414 -6.124 1.00 6.01 H new ATOM 0 HB THR A 22 3.736 6.724 -6.935 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.904 6.186 -9.105 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.861 7.556 -9.050 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.066 7.201 -7.789 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.810 6.052 -9.125 1.00 9.65 H new ATOM 353 N ILE A 23 3.378 4.880 -4.812 1.00 8.32 N ATOM 354 CA ILE A 23 2.426 4.262 -3.931 1.00 9.92 C ATOM 355 C ILE A 23 1.115 3.900 -4.710 1.00 10.01 C ATOM 356 O ILE A 23 0.535 2.833 -4.586 1.00 8.71 O ATOM 357 CB ILE A 23 2.206 5.177 -2.695 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.502 5.632 -1.908 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.246 4.483 -1.677 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.449 4.520 -1.459 1.00 12.30 C ATOM 0 H ILE A 23 3.643 5.827 -4.542 1.00 8.32 H new ATOM 0 HA ILE A 23 2.806 3.313 -3.552 1.00 9.92 H new ATOM 0 HB ILE A 23 1.785 6.086 -3.125 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.061 6.322 -2.540 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.188 6.190 -1.026 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.099 5.133 -0.815 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.285 4.291 -2.155 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.683 3.540 -1.350 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.298 4.956 -0.932 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.920 3.838 -0.794 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.806 3.972 -2.331 1.00 12.30 H new ATOM 372 N GLU A 24 0.704 4.786 -5.667 1.00 9.54 N ATOM 373 CA GLU A 24 -0.257 4.530 -6.759 1.00 11.81 C ATOM 374 C GLU A 24 -0.111 3.144 -7.511 1.00 11.14 C ATOM 375 O GLU A 24 -1.096 2.396 -7.700 1.00 10.62 O ATOM 376 CB GLU A 24 -0.380 5.805 -7.529 1.00 19.24 C ATOM 377 CG GLU A 24 -1.561 5.712 -8.501 1.00 27.76 C ATOM 378 CD GLU A 24 -1.732 6.924 -9.364 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.818 7.769 -9.659 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.939 7.116 -9.819 1.00 34.80 O ATOM 0 H GLU A 24 1.058 5.742 -5.689 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.253 4.302 -6.381 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.525 6.641 -6.845 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.541 5.999 -8.079 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.426 4.839 -9.140 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.476 5.551 -7.931 1.00 27.76 H new ATOM 387 N ASN A 25 1.091 2.720 -7.945 1.00 9.43 N ATOM 388 CA ASN A 25 1.423 1.478 -8.623 1.00 10.96 C ATOM 389 C ASN A 25 1.112 0.278 -7.695 1.00 9.68 C ATOM 390 O ASN A 25 0.605 -0.815 -8.039 1.00 9.33 O ATOM 391 CB ASN A 25 2.965 1.383 -8.834 1.00 16.78 C ATOM 392 CG ASN A 25 3.461 2.321 -9.984 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.727 3.179 -10.475 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.701 2.051 -10.454 1.00 24.70 N ATOM 0 H ASN A 25 1.920 3.299 -7.812 1.00 9.43 H new ATOM 0 HA ASN A 25 0.861 1.459 -9.557 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.474 1.646 -7.907 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.236 0.353 -9.065 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.068 2.569 -11.252 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.269 1.329 -10.010 1.00 24.70 H new ATOM 401 N VAL A 26 1.531 0.435 -6.425 1.00 6.52 N ATOM 402 CA VAL A 26 1.324 -0.555 -5.409 1.00 5.53 C ATOM 403 C VAL A 26 -0.199 -0.770 -5.192 1.00 4.42 C ATOM 404 O VAL A 26 -0.749 -1.890 -5.169 1.00 3.40 O ATOM 405 CB VAL A 26 1.855 -0.251 -3.966 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.460 -1.309 -2.926 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.379 0.084 -3.947 1.00 8.12 C ATOM 0 H VAL A 26 2.023 1.266 -6.096 1.00 6.52 H new ATOM 0 HA VAL A 26 1.887 -1.399 -5.807 1.00 5.53 H new ATOM 0 HB VAL A 26 1.339 0.656 -3.652 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.863 -1.030 -1.952 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.373 -1.371 -2.865 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.863 -2.278 -3.222 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.694 0.286 -2.923 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.942 -0.762 -4.340 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.566 0.962 -4.565 1.00 8.12 H new ATOM 417 N LYS A 27 -0.962 0.317 -5.139 1.00 2.64 N ATOM 418 CA LYS A 27 -2.467 0.276 -5.157 1.00 4.14 C ATOM 419 C LYS A 27 -3.035 -0.484 -6.379 1.00 5.58 C ATOM 420 O LYS A 27 -4.011 -1.220 -6.234 1.00 4.11 O ATOM 421 CB LYS A 27 -3.149 1.662 -4.907 1.00 3.97 C ATOM 422 CG LYS A 27 -2.604 2.325 -3.688 1.00 7.45 C ATOM 423 CD LYS A 27 -3.315 3.650 -3.463 1.00 9.02 C ATOM 424 CE LYS A 27 -2.752 4.273 -2.229 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.407 5.433 -1.774 1.00 15.47 N ATOM 0 H LYS A 27 -0.581 1.261 -5.082 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.744 -0.318 -4.286 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.995 2.306 -5.773 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.225 1.525 -4.798 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.737 1.678 -2.821 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.533 2.491 -3.801 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.174 4.308 -4.320 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.388 3.493 -3.355 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.770 3.532 -1.430 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.706 4.518 -2.413 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.804 5.923 -1.083 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.595 6.064 -2.579 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.307 5.170 -1.324 1.00 15.47 H new ATOM 439 N ALA A 28 -2.477 -0.317 -7.598 1.00 6.61 N ATOM 440 CA ALA A 28 -2.871 -1.120 -8.745 1.00 7.74 C ATOM 441 C ALA A 28 -2.554 -2.613 -8.513 1.00 9.17 C ATOM 442 O ALA A 28 -3.356 -3.415 -8.953 1.00 11.45 O ATOM 443 CB ALA A 28 -2.141 -0.637 -10.010 1.00 7.68 C ATOM 0 H ALA A 28 -1.752 0.372 -7.799 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.947 -1.006 -8.877 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.445 -1.247 -10.861 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.395 0.406 -10.201 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.064 -0.727 -9.866 1.00 7.68 H new ATOM 449 N LYS A 29 -1.459 -3.047 -7.903 1.00 8.96 N ATOM 450 CA LYS A 29 -1.108 -4.413 -7.549 1.00 7.90 C ATOM 451 C LYS A 29 -2.123 -4.902 -6.550 1.00 6.92 C ATOM 452 O LYS A 29 -2.608 -6.022 -6.623 1.00 6.87 O ATOM 453 CB LYS A 29 0.292 -4.525 -6.842 1.00 10.28 C ATOM 454 CG LYS A 29 1.479 -4.023 -7.653 1.00 14.94 C ATOM 455 CD LYS A 29 2.771 -3.911 -6.809 1.00 19.69 C ATOM 456 CE LYS A 29 3.904 -3.251 -7.607 1.00 22.63 C ATOM 457 NZ LYS A 29 4.539 -4.322 -8.464 1.00 24.98 N ATOM 0 H LYS A 29 -0.730 -2.392 -7.619 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.081 -4.990 -8.473 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.252 -3.968 -5.906 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.466 -5.570 -6.584 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.654 -4.698 -8.491 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.239 -3.047 -8.075 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.571 -3.329 -5.909 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.083 -4.904 -6.484 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.516 -2.443 -8.228 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.641 -2.811 -6.935 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.325 -3.911 -9.007 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.900 -5.085 -7.856 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.830 -4.708 -9.119 1.00 24.98 H new ATOM 471 N ILE A 30 -2.483 -4.071 -5.549 1.00 4.57 N ATOM 472 CA ILE A 30 -3.514 -4.393 -4.557 1.00 5.58 C ATOM 473 C ILE A 30 -4.890 -4.544 -5.215 1.00 7.26 C ATOM 474 O ILE A 30 -5.678 -5.403 -4.863 1.00 9.46 O ATOM 475 CB ILE A 30 -3.433 -3.407 -3.389 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.111 -3.697 -2.639 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.612 -3.605 -2.454 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.818 -2.975 -1.287 1.00 2.00 C ATOM 0 H ILE A 30 -2.060 -3.153 -5.411 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.332 -5.374 -4.118 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.459 -2.379 -3.750 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.071 -4.770 -2.451 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.292 -3.462 -3.319 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.543 -2.898 -1.627 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.541 -3.437 -2.999 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.600 -4.623 -2.063 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.850 -3.298 -0.904 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.804 -1.897 -1.446 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.595 -3.225 -0.565 1.00 2.00 H new ATOM 490 N GLN A 31 -5.195 -3.676 -6.225 1.00 7.06 N ATOM 491 CA GLN A 31 -6.351 -3.857 -7.054 1.00 8.67 C ATOM 492 C GLN A 31 -6.589 -5.145 -7.722 1.00 10.90 C ATOM 493 O GLN A 31 -7.624 -5.804 -7.652 1.00 9.63 O ATOM 494 CB GLN A 31 -6.427 -2.718 -8.163 1.00 9.12 C ATOM 495 CG GLN A 31 -7.768 -2.676 -8.905 1.00 10.76 C ATOM 496 CD GLN A 31 -7.833 -1.467 -9.873 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.816 -0.853 -10.275 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.084 -0.973 -10.142 1.00 14.76 N ATOM 0 H GLN A 31 -4.636 -2.855 -6.457 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.136 -3.812 -6.300 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.251 -1.751 -7.692 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.625 -2.871 -8.886 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.907 -3.601 -9.464 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.584 -2.613 -8.185 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.911 -1.473 -9.815 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.187 -0.106 -10.669 1.00 14.76 H new ATOM 507 N ASP A 32 -5.591 -5.677 -8.358 1.00 10.93 N ATOM 508 CA ASP A 32 -5.645 -7.002 -8.882 1.00 14.01 C ATOM 509 C ASP A 32 -5.772 -8.150 -7.830 1.00 14.04 C ATOM 510 O ASP A 32 -6.526 -9.148 -7.922 1.00 13.39 O ATOM 511 CB ASP A 32 -4.415 -7.245 -9.753 1.00 18.01 C ATOM 512 CG ASP A 32 -4.407 -6.378 -11.052 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.401 -5.631 -11.297 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.384 -6.505 -11.781 1.00 26.29 O ATOM 0 H ASP A 32 -4.708 -5.196 -8.528 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.572 -7.045 -9.454 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.518 -7.029 -9.173 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -4.372 -8.299 -10.026 1.00 18.01 H new ATOM 519 N LYS A 33 -5.000 -7.969 -6.720 1.00 14.22 N ATOM 520 CA LYS A 33 -5.150 -8.825 -5.564 1.00 14.00 C ATOM 521 C LYS A 33 -6.500 -8.981 -4.920 1.00 12.37 C ATOM 522 O LYS A 33 -6.854 -10.122 -4.651 1.00 12.17 O ATOM 523 CB LYS A 33 -4.215 -8.390 -4.430 1.00 18.62 C ATOM 524 CG LYS A 33 -2.773 -8.712 -4.760 1.00 24.00 C ATOM 525 CD LYS A 33 -2.333 -10.198 -4.690 1.00 27.61 C ATOM 526 CE LYS A 33 -0.914 -10.384 -5.143 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.498 -11.778 -4.965 1.00 30.06 N ATOM 0 H LYS A 33 -4.288 -7.245 -6.626 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.921 -9.787 -6.023 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.321 -7.319 -4.257 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.501 -8.892 -3.506 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.570 -8.349 -5.768 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.138 -8.142 -4.082 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.438 -10.560 -3.667 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.994 -10.802 -5.311 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.821 -10.101 -6.192 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.256 -9.726 -4.576 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.486 -11.890 -5.283 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.568 -12.036 -3.960 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.116 -12.399 -5.526 1.00 30.06 H new ATOM 541 N GLU A 34 -7.260 -7.913 -4.694 1.00 10.11 N ATOM 542 CA GLU A 34 -8.501 -7.897 -3.940 1.00 10.07 C ATOM 543 C GLU A 34 -9.704 -7.217 -4.556 1.00 9.32 C ATOM 544 O GLU A 34 -10.775 -7.143 -4.012 1.00 11.61 O ATOM 545 CB GLU A 34 -8.231 -7.152 -2.638 1.00 14.77 C ATOM 546 CG GLU A 34 -7.446 -7.929 -1.569 1.00 18.75 C ATOM 547 CD GLU A 34 -8.295 -8.943 -0.966 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.241 -8.683 -0.185 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.985 -10.138 -1.173 1.00 21.95 O ATOM 0 H GLU A 34 -7.011 -6.991 -5.052 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.770 -8.950 -3.858 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.683 -6.239 -2.871 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.187 -6.849 -2.210 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.570 -8.397 -2.018 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.084 -7.244 -0.803 1.00 18.75 H new ATOM 556 N GLY A 35 -9.580 -6.649 -5.776 1.00 7.22 N ATOM 557 CA GLY A 35 -10.712 -5.986 -6.532 1.00 6.29 C ATOM 558 C GLY A 35 -11.128 -4.747 -5.916 1.00 6.93 C ATOM 559 O GLY A 35 -12.313 -4.483 -5.860 1.00 7.41 O ATOM 0 H GLY A 35 -8.695 -6.628 -6.283 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.397 -5.792 -7.557 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.561 -6.668 -6.583 1.00 6.29 H new ATOM 563 N ILE A 36 -10.271 -3.899 -5.389 1.00 5.86 N ATOM 564 CA ILE A 36 -10.623 -2.666 -4.686 1.00 6.07 C ATOM 565 C ILE A 36 -10.043 -1.589 -5.594 1.00 6.36 C ATOM 566 O ILE A 36 -8.838 -1.578 -5.785 1.00 6.18 O ATOM 567 CB ILE A 36 -9.924 -2.578 -3.369 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.103 -3.788 -2.471 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.307 -1.317 -2.600 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.130 -3.832 -1.293 1.00 9.49 C ATOM 0 H ILE A 36 -9.263 -4.049 -5.436 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.693 -2.590 -4.494 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.869 -2.540 -3.639 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.123 -3.796 -2.088 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.979 -4.692 -3.067 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.775 -1.295 -1.649 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.039 -0.438 -3.186 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.381 -1.316 -2.415 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.320 -4.725 -0.698 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.107 -3.856 -1.667 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.269 -2.946 -0.673 1.00 9.49 H new ATOM 582 N PRO A 37 -10.822 -0.703 -6.270 1.00 8.65 N ATOM 583 CA PRO A 37 -10.287 0.417 -7.015 1.00 9.18 C ATOM 584 C PRO A 37 -9.282 1.296 -6.232 1.00 9.85 C ATOM 585 O PRO A 37 -9.545 1.570 -5.042 1.00 8.51 O ATOM 586 CB PRO A 37 -11.554 1.126 -7.510 1.00 11.42 C ATOM 587 CG PRO A 37 -12.629 0.098 -7.546 1.00 9.27 C ATOM 588 CD PRO A 37 -12.319 -0.739 -6.320 1.00 8.33 C ATOM 0 HA PRO A 37 -9.642 0.114 -7.839 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.824 1.946 -6.845 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.396 1.556 -8.499 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.621 0.546 -7.492 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.595 -0.493 -8.461 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.765 -0.318 -5.419 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.697 -1.757 -6.418 1.00 8.33 H new ATOM 596 N PRO A 38 -8.148 1.779 -6.796 1.00 8.71 N ATOM 597 CA PRO A 38 -6.985 2.313 -6.006 1.00 9.08 C ATOM 598 C PRO A 38 -7.448 3.601 -5.226 1.00 9.28 C ATOM 599 O PRO A 38 -6.718 3.932 -4.276 1.00 6.50 O ATOM 600 CB PRO A 38 -5.960 2.699 -7.065 1.00 10.31 C ATOM 601 CG PRO A 38 -6.764 2.857 -8.310 1.00 10.81 C ATOM 602 CD PRO A 38 -7.841 1.804 -8.221 1.00 12.00 C ATOM 0 HA PRO A 38 -6.592 1.599 -5.283 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.445 3.623 -6.803 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.196 1.930 -7.179 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -7.195 3.856 -8.377 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -6.147 2.716 -9.198 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.714 2.066 -8.819 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.490 0.835 -8.577 1.00 12.00 H new ATOM 610 N ASP A 39 -8.543 4.286 -5.568 1.00 11.20 N ATOM 611 CA ASP A 39 -8.976 5.489 -4.914 1.00 14.96 C ATOM 612 C ASP A 39 -9.619 5.206 -3.528 1.00 13.99 C ATOM 613 O ASP A 39 -9.711 6.132 -2.737 1.00 13.75 O ATOM 614 CB ASP A 39 -9.886 6.286 -5.750 1.00 24.16 C ATOM 615 CG ASP A 39 -9.222 6.905 -6.945 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.675 6.150 -7.784 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.254 8.157 -7.099 1.00 34.22 O ATOM 0 H ASP A 39 -9.158 3.998 -6.329 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.074 6.079 -4.751 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.704 5.650 -6.089 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.327 7.075 -5.141 1.00 24.16 H new ATOM 622 N GLN A 40 -9.977 3.964 -3.275 1.00 11.60 N ATOM 623 CA GLN A 40 -10.685 3.470 -2.085 1.00 10.76 C ATOM 624 C GLN A 40 -9.656 2.742 -1.208 1.00 8.01 C ATOM 625 O GLN A 40 -10.013 2.174 -0.169 1.00 8.96 O ATOM 626 CB GLN A 40 -11.863 2.519 -2.291 1.00 11.14 C ATOM 627 CG GLN A 40 -12.974 3.200 -3.099 1.00 14.85 C ATOM 628 CD GLN A 40 -14.087 2.239 -3.531 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.705 1.562 -2.696 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.208 2.074 -4.818 1.00 18.16 N ATOM 0 H GLN A 40 -9.772 3.212 -3.933 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.132 4.363 -1.647 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.526 1.622 -2.811 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.253 2.200 -1.324 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.408 4.002 -2.502 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.538 3.662 -3.985 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -13.674 2.660 -5.460 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.836 1.359 -5.184 1.00 18.16 H new ATOM 639 N GLN A 41 -8.359 2.873 -1.621 1.00 6.52 N ATOM 640 CA GLN A 41 -7.314 2.267 -0.845 1.00 3.87 C ATOM 641 C GLN A 41 -6.460 3.315 -0.142 1.00 4.79 C ATOM 642 O GLN A 41 -5.929 4.231 -0.749 1.00 6.34 O ATOM 643 CB GLN A 41 -6.268 1.514 -1.755 1.00 4.20 C ATOM 644 CG GLN A 41 -6.975 0.324 -2.502 1.00 3.20 C ATOM 645 CD GLN A 41 -5.956 -0.403 -3.382 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.788 -0.380 -3.067 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.301 -0.990 -4.509 1.00 7.13 N ATOM 0 H GLN A 41 -8.054 3.376 -2.454 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.835 1.602 -0.156 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.837 2.206 -2.479 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.446 1.137 -1.146 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.407 -0.368 -1.779 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.796 0.700 -3.112 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.281 -1.019 -4.790 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.588 -1.416 -5.101 1.00 7.13 H new ATOM 656 N ARG A 42 -6.262 3.183 1.188 1.00 5.73 N ATOM 657 CA ARG A 42 -5.332 3.980 1.894 1.00 6.97 C ATOM 658 C ARG A 42 -4.241 3.188 2.611 1.00 7.15 C ATOM 659 O ARG A 42 -4.512 2.365 3.493 1.00 7.33 O ATOM 660 CB ARG A 42 -6.027 4.877 2.931 1.00 13.23 C ATOM 661 CG ARG A 42 -5.121 5.658 3.846 1.00 21.27 C ATOM 662 CD ARG A 42 -5.836 6.697 4.752 1.00 26.14 C ATOM 663 NE ARG A 42 -6.087 7.854 3.846 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.011 8.802 4.101 1.00 34.32 C ATOM 665 NH1 ARG A 42 -7.970 8.628 4.992 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.950 9.978 3.442 1.00 36.39 N ATOM 0 H ARG A 42 -6.761 2.510 1.770 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.856 4.580 1.118 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.668 5.581 2.401 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.677 4.253 3.544 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.580 4.957 4.481 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.379 6.177 3.240 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.766 6.299 5.158 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.214 6.982 5.600 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.533 7.932 2.993 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.029 7.754 5.514 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.652 9.368 5.158 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.210 10.142 2.759 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.644 10.703 3.627 1.00 36.39 H new ATOM 680 N LEU A 43 -3.004 3.516 2.267 1.00 4.65 N ATOM 681 CA LEU A 43 -1.860 2.747 2.598 1.00 3.51 C ATOM 682 C LEU A 43 -1.148 3.391 3.788 1.00 5.56 C ATOM 683 O LEU A 43 -0.793 4.536 3.863 1.00 4.19 O ATOM 684 CB LEU A 43 -1.000 2.553 1.333 1.00 3.74 C ATOM 685 CG LEU A 43 -1.708 1.622 0.360 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.758 1.392 -0.799 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.204 0.249 0.971 1.00 6.41 C ATOM 0 H LEU A 43 -2.784 4.356 1.732 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.120 1.741 2.929 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.815 3.516 0.858 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.029 2.139 1.604 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.634 2.106 0.049 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.225 0.727 -1.526 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.527 2.345 -1.275 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.162 0.938 -0.431 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.694 -0.339 0.195 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.350 -0.305 1.361 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.910 0.444 1.779 1.00 6.41 H new ATOM 699 N ILE A 44 -0.956 2.575 4.824 1.00 4.58 N ATOM 700 CA ILE A 44 -0.412 3.022 6.074 1.00 5.55 C ATOM 701 C ILE A 44 0.895 2.216 6.309 1.00 5.46 C ATOM 702 O ILE A 44 0.965 1.012 6.048 1.00 6.04 O ATOM 703 CB ILE A 44 -1.350 2.839 7.286 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.818 3.342 7.023 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.778 3.481 8.539 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.056 4.895 6.985 1.00 13.90 C ATOM 0 H ILE A 44 -1.180 1.580 4.804 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.247 4.097 6.000 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.414 1.763 7.446 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.150 2.927 6.071 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.461 2.922 7.796 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.466 3.332 9.371 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.183 3.024 8.776 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.640 4.549 8.370 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.110 5.097 6.796 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.769 5.331 7.942 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.454 5.336 6.191 1.00 13.90 H new ATOM 718 N PHE A 45 1.971 2.880 6.810 1.00 6.75 N ATOM 719 CA PHE A 45 3.194 2.175 7.155 1.00 4.70 C ATOM 720 C PHE A 45 3.594 2.653 8.508 1.00 6.34 C ATOM 721 O PHE A 45 3.939 3.789 8.733 1.00 5.45 O ATOM 722 CB PHE A 45 4.337 2.606 6.140 1.00 5.51 C ATOM 723 CG PHE A 45 5.605 1.839 6.377 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.662 0.483 6.643 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.807 2.595 6.366 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.838 -0.101 7.105 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.013 1.993 6.815 1.00 6.64 C ATOM 728 CZ PHE A 45 8.015 0.681 7.288 1.00 6.84 C ATOM 0 H PHE A 45 1.999 3.886 6.975 1.00 6.75 H new ATOM 0 HA PHE A 45 3.047 1.095 7.123 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.997 2.441 5.117 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.532 3.673 6.243 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.785 -0.129 6.491 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.804 3.618 6.020 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.859 -1.158 7.327 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.935 2.555 6.790 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.884 0.269 7.779 1.00 6.84 H new ATOM 738 N ALA A 46 3.536 1.798 9.496 1.00 6.53 N ATOM 739 CA ALA A 46 3.783 2.060 10.937 1.00 7.15 C ATOM 740 C ALA A 46 3.128 3.330 11.573 1.00 9.00 C ATOM 741 O ALA A 46 3.681 4.170 12.207 1.00 11.15 O ATOM 742 CB ALA A 46 5.265 1.785 11.272 1.00 8.99 C ATOM 0 H ALA A 46 3.299 0.820 9.328 1.00 6.53 H new ATOM 0 HA ALA A 46 3.187 1.333 11.488 1.00 7.15 H new ATOM 0 HB1 ALA A 46 5.441 1.979 12.330 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.501 0.744 11.049 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.901 2.437 10.673 1.00 8.99 H new ATOM 748 N GLY A 47 1.791 3.486 11.409 1.00 9.35 N ATOM 749 CA GLY A 47 0.891 4.522 11.880 1.00 11.68 C ATOM 750 C GLY A 47 0.932 5.738 11.040 1.00 11.14 C ATOM 751 O GLY A 47 0.237 6.667 11.371 1.00 13.93 O ATOM 0 H GLY A 47 1.272 2.791 10.873 1.00 9.35 H new ATOM 0 HA2 GLY A 47 -0.127 4.132 11.899 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.151 4.785 12.905 1.00 11.68 H new ATOM 755 N LYS A 48 1.669 5.756 9.880 1.00 10.47 N ATOM 756 CA LYS A 48 1.743 6.907 9.026 1.00 8.82 C ATOM 757 C LYS A 48 1.190 6.584 7.707 1.00 7.68 C ATOM 758 O LYS A 48 1.581 5.609 7.079 1.00 6.47 O ATOM 759 CB LYS A 48 3.187 7.255 8.849 1.00 9.74 C ATOM 760 CG LYS A 48 3.418 8.401 7.889 1.00 14.14 C ATOM 761 CD LYS A 48 4.849 8.878 7.776 1.00 16.32 C ATOM 762 CE LYS A 48 5.374 9.506 9.005 1.00 20.04 C ATOM 763 NZ LYS A 48 6.752 9.913 8.832 1.00 23.92 N ATOM 0 H LYS A 48 2.211 4.959 9.547 1.00 10.47 H new ATOM 0 HA LYS A 48 1.183 7.731 9.467 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.612 7.513 9.819 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.723 6.377 8.489 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.075 8.098 6.900 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.797 9.242 8.198 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.483 8.031 7.514 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.919 9.594 6.957 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.765 10.372 9.264 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.300 8.805 9.836 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.097 10.351 9.710 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.334 9.081 8.608 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.816 10.600 8.054 1.00 23.92 H new ATOM 777 N GLN A 49 0.295 7.455 7.082 1.00 8.89 N ATOM 778 CA GLN A 49 -0.306 7.291 5.760 1.00 7.18 C ATOM 779 C GLN A 49 0.701 7.641 4.647 1.00 8.23 C ATOM 780 O GLN A 49 1.525 8.523 4.600 1.00 9.70 O ATOM 781 CB GLN A 49 -1.619 8.077 5.541 1.00 11.67 C ATOM 782 CG GLN A 49 -1.466 9.658 5.431 1.00 15.82 C ATOM 783 CD GLN A 49 -2.835 10.252 5.616 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.460 10.191 6.691 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.422 10.750 4.481 1.00 20.67 N ATOM 0 H GLN A 49 -0.014 8.314 7.538 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.574 6.236 5.709 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.092 7.712 4.629 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.297 7.852 6.364 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -0.779 10.032 6.190 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.053 9.938 4.462 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.893 10.792 3.610 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.387 11.079 4.508 1.00 20.67 H new ATOM 794 N LEU A 50 0.568 6.902 3.534 1.00 6.51 N ATOM 795 CA LEU A 50 1.469 6.966 2.407 1.00 7.41 C ATOM 796 C LEU A 50 0.848 7.618 1.245 1.00 8.27 C ATOM 797 O LEU A 50 -0.197 7.219 0.734 1.00 8.34 O ATOM 798 CB LEU A 50 1.825 5.531 1.946 1.00 7.13 C ATOM 799 CG LEU A 50 2.525 4.720 3.056 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.733 3.313 2.452 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.876 5.278 3.402 1.00 9.11 C ATOM 0 H LEU A 50 -0.191 6.233 3.405 1.00 6.51 H new ATOM 0 HA LEU A 50 2.342 7.530 2.736 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.916 5.014 1.639 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.474 5.582 1.072 1.00 7.13 H new ATOM 0 HG LEU A 50 1.925 4.734 3.966 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.228 2.673 3.183 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.766 2.884 2.189 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.352 3.389 1.558 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.329 4.673 4.188 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.514 5.261 2.518 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.767 6.305 3.751 1.00 9.11 H new ATOM 813 N GLU A 51 1.487 8.749 0.782 1.00 9.43 N ATOM 814 CA GLU A 51 0.878 9.557 -0.287 1.00 11.90 C ATOM 815 C GLU A 51 1.091 8.952 -1.664 1.00 11.49 C ATOM 816 O GLU A 51 2.179 8.439 -1.872 1.00 9.88 O ATOM 817 CB GLU A 51 1.495 10.976 -0.254 1.00 16.56 C ATOM 818 CG GLU A 51 1.322 11.736 1.078 1.00 26.06 C ATOM 819 CD GLU A 51 -0.060 12.353 1.281 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.427 13.226 0.417 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.834 12.015 2.265 1.00 33.44 O ATOM 0 H GLU A 51 2.383 9.093 1.128 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.197 9.591 -0.108 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.560 10.897 -0.473 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.048 11.568 -1.053 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.524 11.051 1.901 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.070 12.527 1.130 1.00 26.06 H new ATOM 828 N ASP A 52 0.080 9.067 -2.546 1.00 12.71 N ATOM 829 CA ASP A 52 -0.187 8.364 -3.792 1.00 16.56 C ATOM 830 C ASP A 52 0.983 8.440 -4.788 1.00 15.83 C ATOM 831 O ASP A 52 1.474 7.457 -5.368 1.00 17.21 O ATOM 832 CB ASP A 52 -1.517 8.810 -4.530 1.00 21.05 C ATOM 833 CG ASP A 52 -2.793 8.391 -3.685 1.00 25.12 C ATOM 834 OD1 ASP A 52 -3.185 9.143 -2.770 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.254 7.220 -3.842 1.00 25.82 O ATOM 0 H ASP A 52 -0.659 9.747 -2.367 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.320 7.332 -3.466 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.512 9.890 -4.679 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.562 8.352 -5.518 1.00 21.05 H new ATOM 840 N GLY A 53 1.543 9.651 -4.979 1.00 15.00 N ATOM 841 CA GLY A 53 2.678 9.937 -5.820 1.00 11.77 C ATOM 842 C GLY A 53 3.944 10.271 -5.147 1.00 11.10 C ATOM 843 O GLY A 53 4.531 11.344 -5.376 1.00 11.25 O ATOM 0 H GLY A 53 1.182 10.486 -4.518 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.853 9.071 -6.459 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.413 10.768 -6.474 1.00 11.77 H new ATOM 847 N ARG A 54 4.415 9.237 -4.425 1.00 8.53 N ATOM 848 CA ARG A 54 5.809 9.214 -3.880 1.00 9.05 C ATOM 849 C ARG A 54 6.188 7.767 -4.116 1.00 8.96 C ATOM 850 O ARG A 54 5.369 6.954 -4.462 1.00 11.60 O ATOM 851 CB ARG A 54 5.952 9.405 -2.336 1.00 7.97 C ATOM 852 CG ARG A 54 5.184 10.596 -1.777 1.00 9.62 C ATOM 853 CD ARG A 54 5.802 11.927 -2.363 1.00 12.20 C ATOM 854 NE ARG A 54 4.953 13.036 -1.842 1.00 18.23 N ATOM 855 CZ ARG A 54 3.717 13.340 -2.254 1.00 22.08 C ATOM 856 NH1 ARG A 54 3.209 12.786 -3.334 1.00 25.50 N ATOM 857 NH2 ARG A 54 2.872 14.090 -1.560 1.00 23.38 N ATOM 0 H ARG A 54 3.866 8.408 -4.200 1.00 8.53 H new ATOM 0 HA ARG A 54 6.387 10.016 -4.339 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.608 8.499 -1.836 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.008 9.522 -2.093 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.129 10.522 -2.042 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.239 10.602 -0.688 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.839 12.048 -2.048 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.799 11.912 -3.453 1.00 12.20 H new ATOM 0 HE ARG A 54 5.351 13.616 -1.104 1.00 18.23 H new ATOM 0 HH11 ARG A 54 3.759 12.115 -3.870 1.00 25.50 H new ATOM 0 HH12 ARG A 54 2.265 13.028 -3.635 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.152 14.471 -0.656 1.00 23.38 H new ATOM 0 HH22 ARG A 54 1.942 14.286 -1.930 1.00 23.38 H new ATOM 871 N THR A 55 7.485 7.450 -3.951 1.00 9.05 N ATOM 872 CA THR A 55 7.873 6.043 -4.194 1.00 9.03 C ATOM 873 C THR A 55 8.134 5.396 -2.768 1.00 8.15 C ATOM 874 O THR A 55 8.270 5.982 -1.686 1.00 5.91 O ATOM 875 CB THR A 55 9.161 5.814 -5.018 1.00 11.15 C ATOM 876 OG1 THR A 55 10.319 6.508 -4.483 1.00 11.95 O ATOM 877 CG2 THR A 55 8.956 6.313 -6.450 1.00 11.71 C ATOM 0 H THR A 55 8.231 8.087 -3.673 1.00 9.05 H new ATOM 0 HA THR A 55 7.062 5.607 -4.778 1.00 9.03 H new ATOM 0 HB THR A 55 9.352 4.742 -4.979 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.991 5.853 -4.200 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.867 6.149 -7.026 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.132 5.768 -6.911 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.723 7.378 -6.434 1.00 11.71 H new ATOM 885 N LEU A 56 8.209 4.093 -2.820 1.00 6.91 N ATOM 886 CA LEU A 56 8.440 3.241 -1.666 1.00 8.29 C ATOM 887 C LEU A 56 9.768 3.556 -0.897 1.00 8.05 C ATOM 888 O LEU A 56 9.774 3.654 0.361 1.00 10.17 O ATOM 889 CB LEU A 56 8.608 1.743 -2.145 1.00 6.60 C ATOM 890 CG LEU A 56 7.331 0.966 -2.383 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.728 -0.476 -2.746 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.352 0.864 -1.226 1.00 8.64 C ATOM 0 H LEU A 56 8.109 3.571 -3.691 1.00 6.91 H new ATOM 0 HA LEU A 56 7.584 3.413 -1.013 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.186 1.742 -3.069 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.199 1.210 -1.400 1.00 6.60 H new ATOM 0 HG LEU A 56 6.810 1.525 -3.161 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.830 -1.067 -2.925 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.343 -0.469 -3.646 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.294 -0.915 -1.924 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.484 0.282 -1.534 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.836 0.374 -0.382 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.032 1.863 -0.931 1.00 8.64 H new ATOM 904 N SER A 57 10.871 3.791 -1.592 1.00 8.92 N ATOM 905 CA SER A 57 12.110 4.260 -1.124 1.00 9.00 C ATOM 906 C SER A 57 12.067 5.605 -0.448 1.00 9.44 C ATOM 907 O SER A 57 12.719 5.810 0.595 1.00 10.91 O ATOM 908 CB SER A 57 13.213 4.274 -2.178 1.00 10.32 C ATOM 909 OG SER A 57 12.774 4.829 -3.437 1.00 13.59 O ATOM 0 H SER A 57 10.892 3.632 -2.599 1.00 8.92 H new ATOM 0 HA SER A 57 12.356 3.513 -0.369 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.058 4.853 -1.806 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.569 3.256 -2.339 1.00 10.32 H new ATOM 0 HG SER A 57 12.248 4.161 -3.923 1.00 13.59 H new ATOM 915 N ASP A 58 11.281 6.556 -0.918 1.00 9.11 N ATOM 916 CA ASP A 58 11.053 7.873 -0.378 1.00 7.91 C ATOM 917 C ASP A 58 10.456 7.829 1.020 1.00 9.12 C ATOM 918 O ASP A 58 10.683 8.718 1.861 1.00 8.61 O ATOM 919 CB ASP A 58 10.063 8.826 -1.276 1.00 8.41 C ATOM 920 CG ASP A 58 10.547 9.099 -2.661 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.751 9.331 -2.788 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.707 9.204 -3.592 1.00 11.70 O ATOM 0 H ASP A 58 10.737 6.406 -1.768 1.00 9.11 H new ATOM 0 HA ASP A 58 12.054 8.305 -0.375 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.082 8.354 -1.335 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.929 9.776 -0.759 1.00 8.41 H new ATOM 927 N TYR A 59 9.687 6.750 1.322 1.00 7.97 N ATOM 928 CA TYR A 59 9.170 6.346 2.650 1.00 8.45 C ATOM 929 C TYR A 59 9.958 5.329 3.360 1.00 10.98 C ATOM 930 O TYR A 59 9.642 4.866 4.481 1.00 12.95 O ATOM 931 CB TYR A 59 7.706 5.844 2.662 1.00 7.94 C ATOM 932 CG TYR A 59 6.746 6.953 2.347 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.613 7.996 3.290 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.872 6.962 1.237 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.671 9.028 3.096 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.957 8.011 1.052 1.00 6.52 C ATOM 937 CZ TYR A 59 4.886 9.048 1.912 1.00 6.76 C ATOM 938 OH TYR A 59 3.863 9.987 1.885 1.00 7.63 O ATOM 0 H TYR A 59 9.394 6.098 0.594 1.00 7.97 H new ATOM 0 HA TYR A 59 9.248 7.300 3.171 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.589 5.041 1.934 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.471 5.424 3.640 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.240 8.004 4.170 1.00 4.59 H new ATOM 0 HD2 TYR A 59 5.908 6.153 0.523 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.547 9.798 3.843 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.294 7.987 0.200 1.00 6.52 H new ATOM 0 HH TYR A 59 4.118 10.764 2.425 1.00 7.63 H new ATOM 948 N ASN A 60 11.096 4.921 2.809 1.00 12.38 N ATOM 949 CA ASN A 60 12.106 4.016 3.373 1.00 13.94 C ATOM 950 C ASN A 60 11.510 2.699 3.809 1.00 14.16 C ATOM 951 O ASN A 60 11.617 2.303 4.989 1.00 14.26 O ATOM 952 CB ASN A 60 12.966 4.713 4.422 1.00 19.23 C ATOM 953 CG ASN A 60 13.636 5.934 3.792 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.724 5.863 3.160 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.195 7.197 4.045 1.00 24.09 N ATOM 0 H ASN A 60 11.363 5.239 1.877 1.00 12.38 H new ATOM 0 HA ASN A 60 12.801 3.746 2.578 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.352 5.017 5.270 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.721 4.026 4.805 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.738 8.000 3.727 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.322 7.340 4.552 1.00 24.09 H new ATOM 962 N ILE A 61 10.872 1.986 2.828 1.00 11.08 N ATOM 963 CA ILE A 61 10.192 0.766 3.133 1.00 11.78 C ATOM 964 C ILE A 61 11.069 -0.357 2.547 1.00 13.74 C ATOM 965 O ILE A 61 11.207 -0.360 1.321 1.00 14.60 O ATOM 966 CB ILE A 61 8.854 0.648 2.424 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.907 1.744 3.072 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.208 -0.743 2.575 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.678 2.071 2.214 1.00 11.42 C ATOM 0 H ILE A 61 10.836 2.262 1.847 1.00 11.08 H new ATOM 0 HA ILE A 61 10.026 0.719 4.209 1.00 11.78 H new ATOM 0 HB ILE A 61 9.002 0.796 1.354 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.576 1.395 4.050 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.479 2.657 3.236 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.255 -0.761 2.046 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.871 -1.500 2.155 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.040 -0.954 3.631 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.074 2.827 2.716 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.001 2.450 1.245 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.084 1.169 2.071 1.00 11.42 H new ATOM 981 N GLN A 62 11.646 -1.224 3.357 1.00 13.97 N ATOM 982 CA GLN A 62 12.581 -2.244 3.001 1.00 15.52 C ATOM 983 C GLN A 62 11.916 -3.522 2.524 1.00 13.94 C ATOM 984 O GLN A 62 10.709 -3.655 2.638 1.00 12.15 O ATOM 985 CB GLN A 62 13.480 -2.439 4.241 1.00 19.53 C ATOM 986 CG GLN A 62 14.161 -1.214 4.786 1.00 26.38 C ATOM 987 CD GLN A 62 14.897 -1.431 6.165 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.319 -1.524 7.272 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.278 -1.374 6.158 1.00 32.71 N ATOM 0 H GLN A 62 11.449 -1.223 4.358 1.00 13.97 H new ATOM 0 HA GLN A 62 13.177 -1.947 2.139 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.873 -2.872 5.036 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.248 -3.172 3.992 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.887 -0.861 4.053 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.419 -0.424 4.905 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.781 -1.298 5.274 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.794 -1.408 7.037 1.00 32.71 H new ATOM 998 N LYS A 63 12.663 -4.499 2.041 1.00 11.73 N ATOM 999 CA LYS A 63 12.332 -5.841 1.786 1.00 11.97 C ATOM 1000 C LYS A 63 11.810 -6.595 2.971 1.00 10.41 C ATOM 1001 O LYS A 63 12.508 -6.666 3.994 1.00 9.59 O ATOM 1002 CB LYS A 63 13.355 -6.726 0.979 1.00 13.73 C ATOM 1003 CG LYS A 63 14.671 -7.125 1.698 1.00 16.98 C ATOM 1004 CD LYS A 63 15.676 -7.875 0.767 1.00 20.19 C ATOM 1005 CE LYS A 63 16.257 -7.085 -0.357 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.851 -5.851 0.176 1.00 25.97 N ATOM 0 H LYS A 63 13.636 -4.318 1.796 1.00 11.73 H new ATOM 0 HA LYS A 63 11.514 -5.673 1.085 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.845 -7.641 0.677 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.618 -6.191 0.066 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.149 -6.228 2.091 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.433 -7.760 2.552 1.00 16.98 H new ATOM 0 HD2 LYS A 63 16.495 -8.249 1.381 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.169 -8.744 0.347 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.014 -7.672 -0.877 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.484 -6.845 -1.086 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.430 -5.398 -0.560 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.095 -5.201 0.470 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.449 -6.080 0.995 1.00 25.97 H new ATOM 1020 N GLU A 64 10.602 -7.143 2.938 1.00 10.04 N ATOM 1021 CA GLU A 64 9.935 -7.924 3.973 1.00 10.94 C ATOM 1022 C GLU A 64 9.356 -7.008 5.021 1.00 9.74 C ATOM 1023 O GLU A 64 9.238 -7.436 6.131 1.00 9.42 O ATOM 1024 CB GLU A 64 10.746 -9.091 4.501 1.00 18.31 C ATOM 1025 CG GLU A 64 10.904 -10.234 3.424 1.00 24.16 C ATOM 1026 CD GLU A 64 12.016 -11.213 3.789 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.839 -12.068 4.691 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.106 -11.102 3.222 1.00 31.72 O ATOM 0 H GLU A 64 10.011 -7.043 2.113 1.00 10.04 H new ATOM 0 HA GLU A 64 9.093 -8.441 3.511 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.732 -8.740 4.805 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.264 -9.495 5.391 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.962 -10.774 3.328 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.117 -9.789 2.452 1.00 24.16 H new ATOM 1035 N SER A 65 9.020 -5.748 4.670 1.00 6.85 N ATOM 1036 CA SER A 65 8.297 -4.896 5.548 1.00 6.90 C ATOM 1037 C SER A 65 6.870 -5.386 5.759 1.00 4.72 C ATOM 1038 O SER A 65 6.322 -6.018 4.866 1.00 3.91 O ATOM 1039 CB SER A 65 8.051 -3.455 5.056 1.00 7.28 C ATOM 1040 OG SER A 65 9.371 -2.860 4.814 1.00 10.56 O ATOM 0 H SER A 65 9.254 -5.326 3.772 1.00 6.85 H new ATOM 0 HA SER A 65 8.943 -4.910 6.426 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.453 -3.454 4.144 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.498 -2.881 5.800 1.00 7.28 H new ATOM 0 HG SER A 65 9.753 -3.234 3.993 1.00 10.56 H new ATOM 1046 N THR A 66 6.134 -5.128 6.875 1.00 4.48 N ATOM 1047 CA THR A 66 4.709 -5.199 7.013 1.00 3.80 C ATOM 1048 C THR A 66 4.146 -3.798 6.911 1.00 4.60 C ATOM 1049 O THR A 66 4.485 -2.885 7.666 1.00 5.33 O ATOM 1050 CB THR A 66 4.237 -5.817 8.353 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.875 -7.113 8.379 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.755 -5.982 8.308 1.00 3.40 C ATOM 0 H THR A 66 6.583 -4.847 7.747 1.00 4.48 H new ATOM 0 HA THR A 66 4.349 -5.852 6.218 1.00 3.80 H new ATOM 0 HB THR A 66 4.483 -5.212 9.225 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.631 -7.581 9.204 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.409 -6.416 9.246 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.285 -5.009 8.163 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.487 -6.641 7.482 1.00 3.40 H new ATOM 1060 N LEU A 67 3.196 -3.634 5.976 1.00 4.17 N ATOM 1061 CA LEU A 67 2.475 -2.483 5.655 1.00 3.85 C ATOM 1062 C LEU A 67 1.026 -2.692 6.032 1.00 3.80 C ATOM 1063 O LEU A 67 0.619 -3.782 6.392 1.00 5.54 O ATOM 1064 CB LEU A 67 2.506 -2.273 4.110 1.00 7.18 C ATOM 1065 CG LEU A 67 3.466 -1.170 3.713 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.925 -1.489 4.024 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.309 -0.777 2.197 1.00 11.66 C ATOM 0 H LEU A 67 2.916 -4.417 5.386 1.00 4.17 H new ATOM 0 HA LEU A 67 2.909 -1.632 6.180 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.798 -3.203 3.622 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.505 -2.029 3.756 1.00 7.18 H new ATOM 0 HG LEU A 67 3.189 -0.316 4.331 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.554 -0.655 3.713 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.042 -1.651 5.096 1.00 8.12 H new ATOM 0 HD13 LEU A 67 5.223 -2.389 3.486 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.015 0.017 1.952 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.511 -1.647 1.573 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.293 -0.428 2.015 1.00 11.66 H new ATOM 1079 N HIS A 68 0.189 -1.625 6.141 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.244 -1.713 6.427 1.00 4.17 C ATOM 1081 C HIS A 68 -2.137 -1.311 5.244 1.00 5.32 C ATOM 1082 O HIS A 68 -1.876 -0.233 4.710 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.511 -1.050 7.763 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.958 -1.846 8.943 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.377 -1.966 9.367 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.668 -2.672 9.730 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.430 -2.821 10.418 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.815 -3.337 10.657 1.00 16.30 N ATOM 0 H HIS A 68 0.513 -0.664 6.028 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.547 -2.754 6.542 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.068 -0.054 7.764 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.586 -0.921 7.890 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.737 -2.812 9.668 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.320 -3.059 10.981 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.075 -4.042 11.347 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.202 -2.068 4.994 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.334 -1.553 4.107 1.00 3.97 C ATOM 1098 C LEU A 69 -5.562 -1.219 4.907 1.00 5.07 C ATOM 1099 O LEU A 69 -6.010 -2.046 5.733 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.685 -2.672 3.136 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.887 -2.452 2.165 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.809 -1.169 1.361 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.985 -3.706 1.317 1.00 9.96 C ATOM 0 H LEU A 69 -3.339 -3.010 5.360 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.007 -0.645 3.600 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.802 -2.879 2.532 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.888 -3.569 3.721 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.806 -2.305 2.732 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.681 -1.093 0.712 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.785 -0.316 2.039 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.904 -1.175 0.753 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.814 -3.607 0.616 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.056 -3.845 0.764 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.156 -4.568 1.961 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.135 0.004 4.682 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.441 0.363 5.143 1.00 6.26 C ATOM 1117 C VAL A 70 -8.156 1.058 3.981 1.00 9.22 C ATOM 1118 O VAL A 70 -7.585 1.434 2.917 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.463 1.245 6.366 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.825 0.425 7.541 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.748 2.526 6.142 1.00 8.54 C ATOM 0 H VAL A 70 -5.667 0.749 4.166 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.942 -0.553 5.457 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.489 1.523 6.608 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.822 1.030 8.448 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.408 -0.480 7.711 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.801 0.155 7.282 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.789 3.129 7.049 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.708 2.322 5.889 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -7.221 3.069 5.324 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.459 1.265 4.130 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.294 2.142 3.332 1.00 16.06 C ATOM 1133 C LEU A 71 -9.860 3.615 3.122 1.00 18.09 C ATOM 1134 O LEU A 71 -9.201 4.219 4.003 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.733 2.098 3.935 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.863 2.539 2.977 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.903 1.682 1.701 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.123 2.406 3.749 1.00 19.57 C ATOM 0 H LEU A 71 -9.991 0.792 4.860 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.211 1.742 2.322 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.938 1.081 4.269 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.759 2.735 4.819 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.705 3.562 2.636 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.712 2.027 1.057 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.954 1.772 1.172 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.072 0.639 1.968 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -14.965 2.704 3.125 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -14.251 1.369 4.060 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.079 3.047 4.630 1.00 19.57 H new