USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 -81:sc= 1.96 USER MOD Set 1.2: A 57 SER OG : rot -49:sc= 0.786 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 137:sc= 1.24 (180deg=-0.59) USER MOD Set 2.2: A 12 THR OG1 : rot 136:sc= 1.01 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= 1.03 (180deg=0.899) USER MOD Single : A 2 GLN : amide:sc= 0.769 K(o=0.77,f=-0.8) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -138:sc= 0.841 (180deg=-0.132!) USER MOD Single : A 14 THR OG1 : rot -75:sc= 0.0566 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 27 LYS NZ :NH3+ -147:sc= 2.51 (180deg=2.16) USER MOD Single : A 29 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0729) USER MOD Single : A 31 GLN : amide:sc= -0.487 K(o=-0.49,f=-3.2!) USER MOD Single : A 33 LYS NZ :NH3+ -155:sc= -0.187 (180deg=-0.961) USER MOD Single : A 40 GLN : amide:sc= -0.0865 X(o=-0.087,f=-0.31) USER MOD Single : A 41 GLN : amide:sc= 1.81 K(o=1.8,f=-2.9!) 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) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.412 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -127:sc= 0.00427 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.139 X(o=-0.14,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.068 -7.927 -4.938 1.00 9.67 N ATOM 2 CA MET A 1 11.804 -8.216 -3.562 1.00 10.38 C ATOM 3 C MET A 1 10.323 -8.412 -3.305 1.00 9.62 C ATOM 4 O MET A 1 9.491 -8.514 -4.188 1.00 9.62 O ATOM 5 CB MET A 1 12.380 -7.050 -2.688 1.00 13.77 C ATOM 6 CG MET A 1 11.623 -5.677 -2.493 1.00 16.29 C ATOM 7 SD MET A 1 12.464 -4.493 -1.467 1.00 17.17 S ATOM 8 CE MET A 1 11.051 -3.353 -1.240 1.00 16.11 C ATOM 0 H1 MET A 1 13.045 -7.585 -5.040 1.00 9.67 H new ATOM 0 H2 MET A 1 11.943 -8.790 -5.504 1.00 9.67 H new ATOM 0 H3 MET A 1 11.409 -7.195 -5.272 1.00 9.67 H new ATOM 0 HA MET A 1 12.291 -9.153 -3.293 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.543 -7.460 -1.691 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.361 -6.809 -3.098 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.454 -5.231 -3.473 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.643 -5.878 -2.061 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.356 -2.515 -0.613 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.725 -2.980 -2.211 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.229 -3.884 -0.761 1.00 16.11 H new ATOM 20 N GLN A 2 9.901 -8.553 -2.033 1.00 9.27 N ATOM 21 CA GLN A 2 8.481 -8.676 -1.729 1.00 9.07 C ATOM 22 C GLN A 2 8.180 -8.078 -0.409 1.00 8.72 C ATOM 23 O GLN A 2 9.060 -7.910 0.436 1.00 8.22 O ATOM 24 CB GLN A 2 8.066 -10.198 -1.742 1.00 14.46 C ATOM 25 CG GLN A 2 8.713 -11.014 -0.579 1.00 17.01 C ATOM 26 CD GLN A 2 8.092 -12.401 -0.546 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.534 -12.903 -1.544 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.281 -13.166 0.592 1.00 19.49 N ATOM 0 H GLN A 2 10.517 -8.583 -1.221 1.00 9.27 H new ATOM 0 HA GLN A 2 7.910 -8.141 -2.488 1.00 9.07 H new ATOM 0 HB2 GLN A 2 6.981 -10.274 -1.673 1.00 14.46 H new ATOM 0 HB3 GLN A 2 8.356 -10.640 -2.695 1.00 14.46 H new ATOM 0 HG2 GLN A 2 9.791 -11.087 -0.724 1.00 17.01 H new ATOM 0 HG3 GLN A 2 8.553 -10.506 0.372 1.00 17.01 H new ATOM 0 HE21 GLN A 2 8.736 -12.760 1.410 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.965 -14.136 0.613 1.00 19.49 H new ATOM 37 N ILE A 3 6.915 -7.640 -0.243 1.00 5.87 N ATOM 38 CA ILE A 3 6.347 -6.944 0.894 1.00 5.07 C ATOM 39 C ILE A 3 5.000 -7.502 1.348 1.00 4.01 C ATOM 40 O ILE A 3 4.162 -8.101 0.633 1.00 4.61 O ATOM 41 CB ILE A 3 6.226 -5.450 0.656 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.395 -5.118 -0.641 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.577 -4.797 0.570 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.159 -3.623 -0.862 1.00 10.83 C ATOM 0 H ILE A 3 6.218 -7.785 -0.973 1.00 5.87 H new ATOM 0 HA ILE A 3 7.060 -7.118 1.700 1.00 5.07 H new ATOM 0 HB ILE A 3 5.690 -5.047 1.515 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.915 -5.525 -1.508 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.431 -5.623 -0.582 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.454 -3.728 0.399 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.118 -4.956 1.503 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.140 -5.234 -0.255 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.580 -3.477 -1.774 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.610 -3.212 -0.015 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.118 -3.113 -0.955 1.00 10.83 H new ATOM 56 N PHE A 4 4.777 -7.229 2.706 1.00 4.55 N ATOM 57 CA PHE A 4 3.570 -7.750 3.241 1.00 4.68 C ATOM 58 C PHE A 4 2.629 -6.588 3.413 1.00 5.30 C ATOM 59 O PHE A 4 2.903 -5.451 3.839 1.00 5.58 O ATOM 60 CB PHE A 4 3.834 -8.471 4.581 1.00 4.83 C ATOM 61 CG PHE A 4 4.798 -9.649 4.438 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.547 -10.649 3.442 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.936 -9.785 5.324 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.415 -11.714 3.332 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.834 -10.833 5.105 1.00 10.61 C ATOM 66 CZ PHE A 4 6.515 -11.877 4.192 1.00 8.90 C ATOM 0 H PHE A 4 5.382 -6.704 3.337 1.00 4.55 H new ATOM 0 HA PHE A 4 3.133 -8.492 2.573 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.242 -7.758 5.298 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.888 -8.828 4.989 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.691 -10.569 2.788 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.087 -9.091 6.137 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.244 -12.448 2.559 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.776 -10.851 5.632 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.108 -12.779 4.160 1.00 8.90 H new ATOM 76 N VAL A 5 1.332 -6.800 3.126 1.00 4.44 N ATOM 77 CA VAL A 5 0.234 -5.810 3.290 1.00 3.87 C ATOM 78 C VAL A 5 -0.764 -6.502 4.098 1.00 4.93 C ATOM 79 O VAL A 5 -1.355 -7.540 3.721 1.00 6.84 O ATOM 80 CB VAL A 5 -0.256 -5.302 1.958 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.545 -4.443 2.110 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.903 -4.504 1.359 1.00 9.13 C ATOM 0 H VAL A 5 1.001 -7.693 2.761 1.00 4.44 H new ATOM 0 HA VAL A 5 0.543 -4.893 3.792 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.540 -6.124 1.300 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.868 -4.095 1.129 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.334 -5.047 2.558 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.337 -3.585 2.749 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.608 -4.108 0.387 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.159 -3.680 2.024 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.769 -5.155 1.238 1.00 9.13 H new ATOM 92 N LYS A 6 -1.098 -5.926 5.277 1.00 6.04 N ATOM 93 CA LYS A 6 -2.072 -6.476 6.176 1.00 6.12 C ATOM 94 C LYS A 6 -3.252 -5.520 6.388 1.00 6.57 C ATOM 95 O LYS A 6 -3.096 -4.395 6.914 1.00 5.76 O ATOM 96 CB LYS A 6 -1.476 -6.817 7.576 1.00 7.45 C ATOM 97 CG LYS A 6 -0.418 -7.939 7.519 1.00 11.12 C ATOM 98 CD LYS A 6 -0.160 -8.488 8.876 1.00 14.54 C ATOM 99 CE LYS A 6 0.923 -9.528 9.007 1.00 18.84 C ATOM 100 NZ LYS A 6 0.526 -10.907 8.680 1.00 20.55 N ATOM 0 H LYS A 6 -0.679 -5.058 5.610 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.412 -7.395 5.698 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.026 -5.921 8.002 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.282 -7.118 8.245 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.761 -8.735 6.858 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.509 -7.551 7.096 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.090 -7.656 9.534 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.089 -8.920 9.247 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.753 -9.245 8.360 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.297 -9.510 10.031 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.271 -11.357 8.111 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.388 -11.446 9.559 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.362 -10.894 8.139 1.00 20.55 H new ATOM 114 N THR A 7 -4.486 -5.956 6.045 1.00 7.41 N ATOM 115 CA THR A 7 -5.727 -5.221 6.331 1.00 7.48 C ATOM 116 C THR A 7 -6.135 -5.331 7.778 1.00 8.75 C ATOM 117 O THR A 7 -5.701 -6.179 8.603 1.00 8.58 O ATOM 118 CB THR A 7 -6.944 -5.571 5.466 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.493 -6.899 5.707 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.438 -5.482 3.986 1.00 9.17 C ATOM 0 H THR A 7 -4.643 -6.838 5.557 1.00 7.41 H new ATOM 0 HA THR A 7 -5.446 -4.200 6.074 1.00 7.48 H new ATOM 0 HB THR A 7 -7.756 -4.883 5.702 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.264 -7.045 5.121 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.256 -5.720 3.307 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.081 -4.472 3.784 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.624 -6.191 3.836 1.00 9.17 H new ATOM 128 N LEU A 8 -7.095 -4.437 8.227 1.00 9.84 N ATOM 129 CA LEU A 8 -7.801 -4.365 9.509 1.00 14.15 C ATOM 130 C LEU A 8 -8.543 -5.639 9.885 1.00 17.37 C ATOM 131 O LEU A 8 -8.408 -6.104 11.014 1.00 17.01 O ATOM 132 CB LEU A 8 -8.756 -3.139 9.448 1.00 16.63 C ATOM 133 CG LEU A 8 -8.158 -1.696 9.541 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.367 -0.780 9.274 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.657 -1.405 11.011 1.00 18.59 C ATOM 0 H LEU A 8 -7.403 -3.683 7.613 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.063 -4.248 10.303 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.312 -3.203 8.513 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.479 -3.247 10.257 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.322 -1.555 8.855 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.051 0.262 9.318 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.775 -0.994 8.286 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.133 -0.959 10.029 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.243 -0.398 11.062 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.494 -1.489 11.704 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.887 -2.127 11.283 1.00 18.59 H new ATOM 147 N THR A 9 -9.208 -6.212 8.871 1.00 18.33 N ATOM 148 CA THR A 9 -10.080 -7.344 9.065 1.00 19.24 C ATOM 149 C THR A 9 -9.368 -8.678 8.750 1.00 19.48 C ATOM 150 O THR A 9 -9.978 -9.620 8.261 1.00 23.14 O ATOM 151 CB THR A 9 -11.424 -7.218 8.384 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.307 -6.961 6.978 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.267 -6.071 9.003 1.00 19.70 C ATOM 0 H THR A 9 -9.147 -5.894 7.904 1.00 18.33 H new ATOM 0 HA THR A 9 -10.318 -7.350 10.129 1.00 19.24 H new ATOM 0 HB THR A 9 -11.916 -8.179 8.535 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.201 -6.890 6.583 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.227 -6.008 8.491 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.433 -6.272 10.061 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.734 -5.127 8.892 1.00 19.70 H new ATOM 161 N GLY A 10 -8.078 -8.820 9.186 1.00 19.43 N ATOM 162 CA GLY A 10 -7.468 -10.092 9.384 1.00 18.74 C ATOM 163 C GLY A 10 -6.788 -10.666 8.181 1.00 17.62 C ATOM 164 O GLY A 10 -6.399 -11.812 8.169 1.00 19.74 O ATOM 0 H GLY A 10 -7.467 -8.031 9.398 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.737 -10.006 10.188 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.231 -10.794 9.720 1.00 18.74 H new ATOM 168 N LYS A 11 -6.740 -9.901 7.080 1.00 13.56 N ATOM 169 CA LYS A 11 -6.115 -10.365 5.871 1.00 11.91 C ATOM 170 C LYS A 11 -4.652 -10.059 5.709 1.00 10.18 C ATOM 171 O LYS A 11 -4.209 -9.063 6.266 1.00 9.10 O ATOM 172 CB LYS A 11 -6.904 -10.018 4.557 1.00 13.43 C ATOM 173 CG LYS A 11 -6.599 -10.835 3.329 1.00 16.69 C ATOM 174 CD LYS A 11 -7.452 -10.404 2.122 1.00 17.92 C ATOM 175 CE LYS A 11 -7.469 -11.422 1.057 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.550 -11.105 0.057 1.00 21.93 N ATOM 0 H LYS A 11 -7.132 -8.961 7.020 1.00 13.56 H new ATOM 0 HA LYS A 11 -6.168 -11.444 6.020 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.969 -10.113 4.769 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.718 -8.971 4.319 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.542 -10.735 3.080 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.778 -11.889 3.541 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.472 -10.210 2.452 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.063 -9.468 1.721 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.500 -11.455 0.559 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.639 -12.408 1.488 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.044 -11.981 -0.210 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.229 -10.439 0.479 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.125 -10.676 -0.790 1.00 21.93 H new ATOM 190 N THR A 12 -3.845 -10.911 5.030 1.00 9.63 N ATOM 191 CA THR A 12 -2.448 -10.619 4.759 1.00 9.85 C ATOM 192 C THR A 12 -2.225 -10.996 3.331 1.00 11.66 C ATOM 193 O THR A 12 -2.477 -12.152 2.956 1.00 12.33 O ATOM 194 CB THR A 12 -1.465 -11.426 5.607 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.661 -11.225 7.001 1.00 10.91 O ATOM 196 CG2 THR A 12 -0.011 -10.986 5.234 1.00 9.63 C ATOM 0 H THR A 12 -4.158 -11.810 4.664 1.00 9.63 H new ATOM 0 HA THR A 12 -2.267 -9.569 4.989 1.00 9.85 H new ATOM 0 HB THR A 12 -1.630 -12.483 5.399 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.622 -12.088 7.465 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.705 -11.552 5.830 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.167 -11.177 4.176 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.110 -9.922 5.436 1.00 9.63 H new ATOM 204 N ILE A 13 -1.721 -10.054 2.552 1.00 10.42 N ATOM 205 CA ILE A 13 -1.386 -10.180 1.119 1.00 11.84 C ATOM 206 C ILE A 13 0.098 -9.865 0.845 1.00 10.55 C ATOM 207 O ILE A 13 0.722 -8.962 1.372 1.00 11.92 O ATOM 208 CB ILE A 13 -2.295 -9.460 0.065 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.497 -7.956 0.343 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.663 -10.216 0.128 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.438 -7.286 -0.636 1.00 16.46 C ATOM 0 H ILE A 13 -1.518 -9.121 2.911 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.605 -11.234 0.950 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.827 -9.495 -0.919 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.885 -7.830 1.354 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.530 -7.454 0.308 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.358 -9.770 -0.584 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.510 -11.266 -0.122 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.075 -10.139 1.134 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.535 -6.230 -0.383 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.041 -7.382 -1.646 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.417 -7.763 -0.584 1.00 16.46 H new ATOM 223 N THR A 14 0.751 -10.686 0.008 1.00 9.39 N ATOM 224 CA THR A 14 2.167 -10.550 -0.245 1.00 9.63 C ATOM 225 C THR A 14 2.312 -10.082 -1.651 1.00 11.20 C ATOM 226 O THR A 14 1.769 -10.608 -2.601 1.00 11.63 O ATOM 227 CB THR A 14 2.855 -11.985 -0.131 1.00 10.38 C ATOM 228 OG1 THR A 14 2.627 -12.609 1.125 1.00 16.30 O ATOM 229 CG2 THR A 14 4.351 -11.610 -0.110 1.00 11.66 C ATOM 0 H THR A 14 0.306 -11.450 -0.500 1.00 9.39 H new ATOM 0 HA THR A 14 2.625 -9.860 0.464 1.00 9.63 H new ATOM 0 HB THR A 14 2.496 -12.652 -0.915 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.184 -12.181 1.809 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.952 -12.516 -0.033 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.607 -11.082 -1.029 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.553 -10.967 0.746 1.00 11.66 H new ATOM 237 N LEU A 15 2.949 -8.949 -1.858 1.00 8.29 N ATOM 238 CA LEU A 15 3.199 -8.382 -3.196 1.00 9.03 C ATOM 239 C LEU A 15 4.709 -8.451 -3.562 1.00 8.59 C ATOM 240 O LEU A 15 5.516 -7.957 -2.738 1.00 7.79 O ATOM 241 CB LEU A 15 2.801 -6.897 -3.091 1.00 11.08 C ATOM 242 CG LEU A 15 1.459 -6.525 -2.357 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.350 -4.999 -2.118 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.241 -6.843 -3.224 1.00 15.27 C ATOM 0 H LEU A 15 3.319 -8.376 -1.100 1.00 8.29 H new ATOM 0 HA LEU A 15 2.642 -8.931 -3.955 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.611 -6.373 -2.585 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.746 -6.497 -4.103 1.00 11.08 H new ATOM 0 HG LEU A 15 1.475 -7.096 -1.429 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.412 -4.776 -1.609 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.185 -4.667 -1.501 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.376 -4.478 -3.075 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.668 -6.574 -2.687 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.296 -6.274 -4.152 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.225 -7.909 -3.453 1.00 15.27 H new ATOM 256 N GLU A 16 5.005 -8.952 -4.750 1.00 11.04 N ATOM 257 CA GLU A 16 6.301 -8.922 -5.389 1.00 11.50 C ATOM 258 C GLU A 16 6.476 -7.548 -5.982 1.00 10.13 C ATOM 259 O GLU A 16 5.687 -6.993 -6.704 1.00 9.83 O ATOM 260 CB GLU A 16 6.402 -10.066 -6.385 1.00 17.22 C ATOM 261 CG GLU A 16 7.851 -10.165 -6.997 1.00 23.33 C ATOM 262 CD GLU A 16 7.892 -11.166 -8.156 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.636 -12.404 -7.915 1.00 28.86 O ATOM 264 OE2 GLU A 16 8.236 -10.803 -9.291 1.00 28.90 O ATOM 0 H GLU A 16 4.302 -9.417 -5.324 1.00 11.04 H new ATOM 0 HA GLU A 16 7.123 -9.082 -4.691 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.148 -11.004 -5.892 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.676 -9.920 -7.185 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.169 -9.183 -7.349 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.556 -10.470 -6.224 1.00 23.33 H new ATOM 271 N VAL A 17 7.669 -6.875 -5.585 1.00 8.99 N ATOM 272 CA VAL A 17 7.820 -5.434 -5.845 1.00 8.85 C ATOM 273 C VAL A 17 9.296 -5.092 -6.019 1.00 8.04 C ATOM 274 O VAL A 17 10.214 -5.932 -5.862 1.00 8.99 O ATOM 275 CB VAL A 17 7.308 -4.502 -4.756 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.782 -4.499 -4.751 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.873 -4.917 -3.380 1.00 10.54 C ATOM 0 H VAL A 17 8.460 -7.318 -5.118 1.00 8.99 H new ATOM 0 HA VAL A 17 7.214 -5.271 -6.736 1.00 8.85 H new ATOM 0 HB VAL A 17 7.651 -3.488 -4.962 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.422 -3.830 -3.969 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.416 -4.157 -5.719 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.417 -5.508 -4.561 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.497 -4.240 -2.613 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.560 -5.935 -3.150 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.962 -4.869 -3.404 1.00 10.54 H new ATOM 287 N GLU A 18 9.578 -3.826 -6.377 1.00 7.29 N ATOM 288 CA GLU A 18 10.914 -3.328 -6.469 1.00 7.08 C ATOM 289 C GLU A 18 11.003 -2.022 -5.698 1.00 6.45 C ATOM 290 O GLU A 18 9.978 -1.443 -5.558 1.00 5.28 O ATOM 291 CB GLU A 18 11.459 -3.156 -7.900 1.00 10.28 C ATOM 292 CG GLU A 18 11.523 -4.489 -8.679 1.00 12.65 C ATOM 293 CD GLU A 18 12.134 -4.386 -10.068 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.270 -3.794 -10.077 1.00 18.17 O ATOM 295 OE2 GLU A 18 11.613 -4.845 -11.084 1.00 14.33 O ATOM 0 H GLU A 18 8.863 -3.136 -6.607 1.00 7.29 H new ATOM 0 HA GLU A 18 11.556 -4.092 -6.031 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.827 -2.453 -8.443 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.456 -2.719 -7.854 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.099 -5.207 -8.096 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.513 -4.889 -8.770 1.00 12.65 H new ATOM 302 N PRO A 19 12.091 -1.501 -5.107 1.00 7.24 N ATOM 303 CA PRO A 19 12.072 -0.382 -4.147 1.00 7.07 C ATOM 304 C PRO A 19 11.835 0.945 -4.886 1.00 6.65 C ATOM 305 O PRO A 19 11.763 1.980 -4.215 1.00 6.37 O ATOM 306 CB PRO A 19 13.519 -0.317 -3.638 1.00 7.61 C ATOM 307 CG PRO A 19 14.279 -1.103 -4.609 1.00 8.16 C ATOM 308 CD PRO A 19 13.336 -2.195 -5.033 1.00 7.49 C ATOM 0 HA PRO A 19 11.307 -0.522 -3.383 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.878 0.711 -3.590 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.607 -0.732 -2.634 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.587 -0.493 -5.458 1.00 8.16 H new ATOM 0 HG3 PRO A 19 15.186 -1.513 -4.165 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.619 -2.628 -5.992 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.306 -3.011 -4.311 1.00 7.49 H new ATOM 316 N SER A 20 11.792 0.934 -6.259 1.00 6.80 N ATOM 317 CA SER A 20 11.467 2.106 -7.030 1.00 6.28 C ATOM 318 C SER A 20 10.017 2.158 -7.351 1.00 8.45 C ATOM 319 O SER A 20 9.529 3.116 -7.887 1.00 7.26 O ATOM 320 CB SER A 20 12.119 2.037 -8.416 1.00 8.57 C ATOM 321 OG SER A 20 13.525 1.960 -8.183 1.00 11.13 O ATOM 0 H SER A 20 11.985 0.106 -6.823 1.00 6.80 H new ATOM 0 HA SER A 20 11.801 2.952 -6.430 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.767 1.167 -8.971 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.869 2.916 -9.010 1.00 8.57 H new ATOM 0 HG SER A 20 13.997 1.912 -9.041 1.00 11.13 H new ATOM 327 N ASP A 21 9.216 1.112 -7.021 1.00 7.50 N ATOM 328 CA ASP A 21 7.798 1.138 -7.273 1.00 7.70 C ATOM 329 C ASP A 21 7.201 2.226 -6.360 1.00 7.08 C ATOM 330 O ASP A 21 7.475 2.281 -5.194 1.00 8.11 O ATOM 331 CB ASP A 21 7.202 -0.270 -7.023 1.00 11.00 C ATOM 332 CG ASP A 21 7.501 -1.232 -8.144 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.068 -0.832 -9.252 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.209 -2.410 -8.005 1.00 18.03 O ATOM 0 H ASP A 21 9.551 0.254 -6.582 1.00 7.50 H new ATOM 0 HA ASP A 21 7.561 1.384 -8.308 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.601 -0.669 -6.090 1.00 11.00 H new ATOM 0 HB3 ASP A 21 6.122 -0.187 -6.898 1.00 11.00 H new ATOM 339 N THR A 22 6.513 3.180 -6.998 1.00 5.37 N ATOM 340 CA THR A 22 5.686 4.135 -6.283 1.00 6.01 C ATOM 341 C THR A 22 4.465 3.575 -5.675 1.00 8.01 C ATOM 342 O THR A 22 3.905 2.546 -6.028 1.00 8.11 O ATOM 343 CB THR A 22 5.207 5.346 -7.131 1.00 8.92 C ATOM 344 OG1 THR A 22 4.674 4.930 -8.361 1.00 10.22 O ATOM 345 CG2 THR A 22 6.441 6.258 -7.433 1.00 9.65 C ATOM 0 H THR A 22 6.519 3.304 -8.010 1.00 5.37 H new ATOM 0 HA THR A 22 6.385 4.454 -5.510 1.00 6.01 H new ATOM 0 HB THR A 22 4.437 5.874 -6.569 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.380 5.713 -8.872 1.00 10.22 H new ATOM 0 HG21 THR A 22 6.124 7.114 -8.028 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.873 6.608 -6.495 1.00 9.65 H new ATOM 0 HG23 THR A 22 7.188 5.688 -7.986 1.00 9.65 H new ATOM 353 N ILE A 23 3.958 4.283 -4.647 1.00 8.32 N ATOM 354 CA ILE A 23 2.816 3.799 -3.892 1.00 9.92 C ATOM 355 C ILE A 23 1.522 3.673 -4.669 1.00 10.01 C ATOM 356 O ILE A 23 0.692 2.796 -4.476 1.00 8.71 O ATOM 357 CB ILE A 23 2.495 4.493 -2.557 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.778 4.511 -1.688 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.327 3.779 -1.836 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.330 3.188 -1.196 1.00 12.30 C ATOM 0 H ILE A 23 4.326 5.181 -4.333 1.00 8.32 H new ATOM 0 HA ILE A 23 3.207 2.809 -3.659 1.00 9.92 H new ATOM 0 HB ILE A 23 2.174 5.519 -2.738 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.562 5.006 -2.262 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.580 5.134 -0.816 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.116 4.286 -0.894 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.439 3.804 -2.468 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.601 2.743 -1.637 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.227 3.366 -0.603 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.582 2.688 -0.581 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.579 2.557 -2.050 1.00 12.30 H new ATOM 372 N GLU A 24 1.332 4.482 -5.732 1.00 9.54 N ATOM 373 CA GLU A 24 0.286 4.410 -6.766 1.00 11.81 C ATOM 374 C GLU A 24 0.345 3.118 -7.531 1.00 11.14 C ATOM 375 O GLU A 24 -0.626 2.405 -7.722 1.00 10.62 O ATOM 376 CB GLU A 24 0.579 5.578 -7.666 1.00 19.24 C ATOM 377 CG GLU A 24 -0.360 5.942 -8.861 1.00 27.76 C ATOM 378 CD GLU A 24 0.054 7.247 -9.458 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.341 8.329 -8.917 1.00 36.51 O ATOM 380 OE2 GLU A 24 0.905 7.231 -10.405 1.00 34.80 O ATOM 0 H GLU A 24 1.961 5.267 -5.900 1.00 9.54 H new ATOM 0 HA GLU A 24 -0.715 4.446 -6.336 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.639 6.461 -7.030 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.573 5.416 -8.082 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.320 5.158 -9.617 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.393 6.001 -8.518 1.00 27.76 H new ATOM 387 N ASN A 25 1.603 2.761 -7.983 1.00 9.43 N ATOM 388 CA ASN A 25 1.928 1.443 -8.539 1.00 10.96 C ATOM 389 C ASN A 25 1.584 0.299 -7.639 1.00 9.68 C ATOM 390 O ASN A 25 0.907 -0.646 -8.066 1.00 9.33 O ATOM 391 CB ASN A 25 3.415 1.493 -8.988 1.00 16.78 C ATOM 392 CG ASN A 25 3.757 0.558 -10.115 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.006 -0.305 -10.521 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.942 0.866 -10.690 1.00 24.70 N ATOM 0 H ASN A 25 2.400 3.398 -7.960 1.00 9.43 H new ATOM 0 HA ASN A 25 1.297 1.236 -9.403 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.656 2.512 -9.292 1.00 16.78 H new ATOM 0 HB3 ASN A 25 4.048 1.258 -8.132 1.00 16.78 H new ATOM 0 HD21 ASN A 25 5.254 0.360 -11.519 1.00 24.70 H new ATOM 0 HD22 ASN A 25 5.524 1.605 -10.295 1.00 24.70 H new ATOM 401 N VAL A 26 2.022 0.363 -6.338 1.00 6.52 N ATOM 402 CA VAL A 26 1.787 -0.666 -5.337 1.00 5.53 C ATOM 403 C VAL A 26 0.270 -0.879 -5.050 1.00 4.42 C ATOM 404 O VAL A 26 -0.282 -2.009 -4.963 1.00 3.40 O ATOM 405 CB VAL A 26 2.537 -0.402 -4.051 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.185 -1.442 -2.945 1.00 7.25 C ATOM 407 CG2 VAL A 26 4.065 -0.346 -4.246 1.00 8.12 C ATOM 0 H VAL A 26 2.554 1.155 -5.978 1.00 6.52 H new ATOM 0 HA VAL A 26 2.178 -1.589 -5.766 1.00 5.53 H new ATOM 0 HB VAL A 26 2.207 0.584 -3.724 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.747 -1.214 -2.039 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.117 -1.398 -2.731 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.445 -2.443 -3.291 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.547 -0.154 -3.288 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.416 -1.298 -4.644 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.314 0.453 -4.944 1.00 8.12 H new ATOM 417 N LYS A 27 -0.497 0.206 -4.922 1.00 2.64 N ATOM 418 CA LYS A 27 -1.950 0.096 -4.950 1.00 4.14 C ATOM 419 C LYS A 27 -2.662 -0.548 -6.102 1.00 5.58 C ATOM 420 O LYS A 27 -3.744 -1.156 -5.913 1.00 4.11 O ATOM 421 CB LYS A 27 -2.592 1.435 -4.708 1.00 3.97 C ATOM 422 CG LYS A 27 -2.482 1.888 -3.261 1.00 7.45 C ATOM 423 CD LYS A 27 -3.302 3.064 -2.908 1.00 9.02 C ATOM 424 CE LYS A 27 -2.731 4.415 -3.334 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.628 5.527 -3.186 1.00 15.47 N ATOM 0 H LYS A 27 -0.140 1.154 -4.800 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.080 -0.633 -4.150 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.125 2.179 -5.353 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.644 1.385 -4.989 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.767 1.058 -2.614 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.438 2.115 -3.046 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.287 2.947 -3.359 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.445 3.074 -1.828 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -1.832 4.613 -2.751 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.426 4.350 -4.378 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.447 6.221 -3.939 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.610 5.192 -3.253 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.477 5.974 -2.259 1.00 15.47 H new ATOM 439 N ALA A 28 -2.144 -0.448 -7.356 1.00 6.61 N ATOM 440 CA ALA A 28 -2.654 -1.174 -8.511 1.00 7.74 C ATOM 441 C ALA A 28 -2.495 -2.705 -8.341 1.00 9.17 C ATOM 442 O ALA A 28 -3.339 -3.545 -8.709 1.00 11.45 O ATOM 443 CB ALA A 28 -1.959 -0.696 -9.795 1.00 7.68 C ATOM 0 H ALA A 28 -1.350 0.152 -7.577 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.720 -0.963 -8.590 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.352 -1.249 -10.649 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.146 0.369 -9.935 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.886 -0.869 -9.714 1.00 7.68 H new ATOM 449 N LYS A 29 -1.451 -3.156 -7.628 1.00 8.96 N ATOM 450 CA LYS A 29 -1.257 -4.542 -7.276 1.00 7.90 C ATOM 451 C LYS A 29 -2.260 -5.042 -6.334 1.00 6.92 C ATOM 452 O LYS A 29 -2.894 -6.044 -6.554 1.00 6.87 O ATOM 453 CB LYS A 29 0.151 -4.759 -6.734 1.00 10.28 C ATOM 454 CG LYS A 29 1.172 -4.441 -7.875 1.00 14.94 C ATOM 455 CD LYS A 29 2.548 -4.771 -7.334 1.00 19.69 C ATOM 456 CE LYS A 29 3.742 -4.485 -8.255 1.00 22.63 C ATOM 457 NZ LYS A 29 3.515 -5.053 -9.562 1.00 24.98 N ATOM 0 H LYS A 29 -0.713 -2.544 -7.281 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.383 -5.120 -8.192 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.330 -4.114 -5.874 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.272 -5.787 -6.392 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.954 -5.032 -8.765 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.112 -3.392 -8.166 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.692 -4.213 -6.409 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.566 -5.829 -7.074 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.894 -3.409 -8.340 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.651 -4.902 -7.823 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.387 -4.987 -10.126 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.241 -6.052 -9.464 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.753 -4.531 -10.040 1.00 24.98 H new ATOM 471 N ILE A 30 -2.639 -4.192 -5.362 1.00 4.57 N ATOM 472 CA ILE A 30 -3.753 -4.438 -4.448 1.00 5.58 C ATOM 473 C ILE A 30 -5.075 -4.452 -5.165 1.00 7.26 C ATOM 474 O ILE A 30 -5.926 -5.254 -4.940 1.00 9.46 O ATOM 475 CB ILE A 30 -3.676 -3.538 -3.261 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.371 -3.748 -2.388 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.956 -3.725 -2.360 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.897 -2.516 -1.627 1.00 2.00 C ATOM 0 H ILE A 30 -2.168 -3.303 -5.193 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.667 -5.446 -4.043 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.629 -2.521 -3.650 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.556 -4.549 -1.672 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.566 -4.084 -3.041 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.892 -3.064 -1.495 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.847 -3.480 -2.938 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.015 -4.760 -2.022 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -0.999 -2.762 -1.060 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.673 -1.716 -2.333 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.679 -2.188 -0.943 1.00 2.00 H new ATOM 490 N GLN A 31 -5.323 -3.513 -6.109 1.00 7.06 N ATOM 491 CA GLN A 31 -6.480 -3.374 -6.888 1.00 8.67 C ATOM 492 C GLN A 31 -6.782 -4.614 -7.754 1.00 10.90 C ATOM 493 O GLN A 31 -7.878 -5.071 -7.846 1.00 9.63 O ATOM 494 CB GLN A 31 -6.371 -2.076 -7.778 1.00 9.12 C ATOM 495 CG GLN A 31 -7.723 -1.743 -8.537 1.00 10.76 C ATOM 496 CD GLN A 31 -7.471 -0.843 -9.712 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.401 -0.291 -9.784 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.539 -0.562 -10.544 1.00 14.76 N ATOM 0 H GLN A 31 -4.633 -2.795 -6.329 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.321 -3.277 -6.202 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.094 -1.230 -7.149 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.571 -2.206 -8.507 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.192 -2.667 -8.876 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.422 -1.264 -7.851 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.419 -1.065 -10.432 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.447 0.148 -11.270 1.00 14.76 H new ATOM 507 N ASP A 32 -5.793 -5.201 -8.395 1.00 10.93 N ATOM 508 CA ASP A 32 -5.863 -6.387 -9.145 1.00 14.01 C ATOM 509 C ASP A 32 -6.187 -7.585 -8.248 1.00 14.04 C ATOM 510 O ASP A 32 -7.021 -8.450 -8.574 1.00 13.39 O ATOM 511 CB ASP A 32 -4.538 -6.632 -9.874 1.00 18.01 C ATOM 512 CG ASP A 32 -4.787 -7.530 -11.041 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.610 -7.226 -11.948 1.00 25.17 O ATOM 514 OD2 ASP A 32 -4.010 -8.510 -11.151 1.00 26.29 O ATOM 0 H ASP A 32 -4.851 -4.809 -8.389 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.663 -6.275 -9.877 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.112 -5.687 -10.210 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.814 -7.085 -9.197 1.00 18.01 H new ATOM 519 N LYS A 33 -5.550 -7.691 -7.072 1.00 14.22 N ATOM 520 CA LYS A 33 -6.001 -8.592 -6.037 1.00 14.00 C ATOM 521 C LYS A 33 -7.379 -8.451 -5.508 1.00 12.37 C ATOM 522 O LYS A 33 -8.145 -9.393 -5.450 1.00 12.17 O ATOM 523 CB LYS A 33 -5.028 -8.666 -4.849 1.00 18.62 C ATOM 524 CG LYS A 33 -3.642 -9.286 -5.234 1.00 24.00 C ATOM 525 CD LYS A 33 -2.691 -9.264 -4.003 1.00 27.61 C ATOM 526 CE LYS A 33 -1.438 -10.111 -4.339 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.812 -11.516 -4.618 1.00 30.06 N ATOM 0 H LYS A 33 -4.718 -7.154 -6.827 1.00 14.22 H new ATOM 0 HA LYS A 33 -6.023 -9.520 -6.608 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.874 -7.664 -4.449 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.478 -9.260 -4.054 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.776 -10.310 -5.582 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.199 -8.725 -6.057 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.404 -8.240 -3.764 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.197 -9.667 -3.125 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.928 -9.687 -5.204 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.736 -10.075 -3.506 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -1.000 -12.136 -4.424 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -2.610 -11.790 -4.010 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.089 -11.610 -5.616 1.00 30.06 H new ATOM 541 N GLU A 34 -7.733 -7.233 -4.988 1.00 10.11 N ATOM 542 CA GLU A 34 -8.927 -7.087 -4.179 1.00 10.07 C ATOM 543 C GLU A 34 -10.095 -6.408 -4.864 1.00 9.32 C ATOM 544 O GLU A 34 -11.202 -6.403 -4.300 1.00 11.61 O ATOM 545 CB GLU A 34 -8.531 -6.269 -3.008 1.00 14.77 C ATOM 546 CG GLU A 34 -7.445 -6.965 -2.074 1.00 18.75 C ATOM 547 CD GLU A 34 -7.897 -8.321 -1.490 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.081 -8.463 -1.012 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.142 -9.269 -1.483 1.00 25.19 O ATOM 0 H GLU A 34 -7.203 -6.373 -5.126 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.283 -8.088 -3.934 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -8.137 -5.316 -3.360 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.418 -6.048 -2.415 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.530 -7.115 -2.647 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.201 -6.291 -1.253 1.00 18.75 H new ATOM 556 N GLY A 35 -9.908 -5.972 -6.075 1.00 7.22 N ATOM 557 CA GLY A 35 -10.902 -5.246 -6.824 1.00 6.29 C ATOM 558 C GLY A 35 -11.160 -3.826 -6.430 1.00 6.93 C ATOM 559 O GLY A 35 -12.060 -3.186 -6.890 1.00 7.41 O ATOM 0 H GLY A 35 -9.037 -6.113 -6.587 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.607 -5.256 -7.873 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.843 -5.792 -6.752 1.00 6.29 H new ATOM 563 N ILE A 36 -10.368 -3.267 -5.528 1.00 5.86 N ATOM 564 CA ILE A 36 -10.585 -1.998 -4.863 1.00 6.07 C ATOM 565 C ILE A 36 -9.675 -0.883 -5.431 1.00 6.36 C ATOM 566 O ILE A 36 -8.445 -1.037 -5.255 1.00 6.18 O ATOM 567 CB ILE A 36 -10.514 -2.100 -3.320 1.00 7.47 C ATOM 568 CG1 ILE A 36 -11.472 -3.178 -2.687 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.615 -0.694 -2.656 1.00 7.36 C ATOM 570 CD1 ILE A 36 -11.078 -3.675 -1.362 1.00 9.49 C ATOM 0 H ILE A 36 -9.505 -3.718 -5.225 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.612 -1.708 -5.087 1.00 6.07 H new ATOM 0 HB ILE A 36 -9.523 -2.491 -3.088 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -12.472 -2.751 -2.613 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -11.537 -4.026 -3.369 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.562 -0.799 -1.572 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.791 -0.069 -3.001 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.562 -0.230 -2.930 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -11.805 -4.411 -1.019 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -10.094 -4.139 -1.425 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -11.043 -2.844 -0.657 1.00 9.49 H new ATOM 582 N PRO A 37 -10.202 0.130 -6.122 1.00 8.65 N ATOM 583 CA PRO A 37 -9.390 1.211 -6.746 1.00 9.18 C ATOM 584 C PRO A 37 -8.412 1.832 -5.755 1.00 9.85 C ATOM 585 O PRO A 37 -8.769 1.936 -4.545 1.00 8.51 O ATOM 586 CB PRO A 37 -10.429 2.317 -7.253 1.00 11.42 C ATOM 587 CG PRO A 37 -11.722 1.868 -6.605 1.00 9.27 C ATOM 588 CD PRO A 37 -11.682 0.379 -6.323 1.00 8.33 C ATOM 0 HA PRO A 37 -8.790 0.807 -7.562 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.142 3.320 -6.936 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.504 2.336 -8.340 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -11.881 2.416 -5.676 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.563 2.098 -7.259 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.263 0.117 -5.439 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.084 -0.203 -7.152 1.00 8.33 H new ATOM 596 N PRO A 38 -7.258 2.270 -6.292 1.00 8.71 N ATOM 597 CA PRO A 38 -6.301 3.031 -5.404 1.00 9.08 C ATOM 598 C PRO A 38 -6.843 4.251 -4.699 1.00 9.28 C ATOM 599 O PRO A 38 -6.176 4.679 -3.756 1.00 6.50 O ATOM 600 CB PRO A 38 -5.150 3.337 -6.375 1.00 10.31 C ATOM 601 CG PRO A 38 -5.174 2.270 -7.502 1.00 10.81 C ATOM 602 CD PRO A 38 -6.633 1.845 -7.539 1.00 12.00 C ATOM 0 HA PRO A 38 -6.018 2.446 -4.529 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.262 4.337 -6.795 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.194 3.316 -5.851 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -4.850 2.684 -8.457 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.515 1.431 -7.278 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.140 2.296 -8.392 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.712 0.764 -7.656 1.00 12.00 H new ATOM 610 N ASP A 39 -7.959 4.939 -5.132 1.00 11.20 N ATOM 611 CA ASP A 39 -8.628 5.988 -4.398 1.00 14.96 C ATOM 612 C ASP A 39 -9.254 5.522 -3.159 1.00 13.99 C ATOM 613 O ASP A 39 -9.244 6.242 -2.150 1.00 13.75 O ATOM 614 CB ASP A 39 -9.634 6.643 -5.409 1.00 24.16 C ATOM 615 CG ASP A 39 -10.481 7.743 -4.792 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.918 8.673 -4.169 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.747 7.646 -4.807 1.00 35.55 O ATOM 0 H ASP A 39 -8.400 4.745 -6.031 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.914 6.728 -4.037 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -9.076 7.053 -6.251 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.291 5.870 -5.809 1.00 24.16 H new ATOM 622 N GLN A 40 -9.689 4.264 -3.181 1.00 11.60 N ATOM 623 CA GLN A 40 -10.412 3.695 -2.081 1.00 10.76 C ATOM 624 C GLN A 40 -9.577 2.807 -1.133 1.00 8.01 C ATOM 625 O GLN A 40 -10.191 2.088 -0.276 1.00 8.96 O ATOM 626 CB GLN A 40 -11.639 2.853 -2.637 1.00 11.14 C ATOM 627 CG GLN A 40 -12.636 3.672 -3.512 1.00 14.85 C ATOM 628 CD GLN A 40 -13.948 2.989 -3.917 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.305 1.881 -3.415 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.656 3.599 -4.917 1.00 18.16 N ATOM 0 H GLN A 40 -9.544 3.626 -3.964 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.738 4.543 -1.479 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.256 2.020 -3.227 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.181 2.424 -1.795 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.885 4.586 -2.972 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.117 3.971 -4.423 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.338 4.491 -5.296 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.502 3.162 -5.283 1.00 18.16 H new ATOM 639 N GLN A 41 -8.291 2.906 -1.158 1.00 6.52 N ATOM 640 CA GLN A 41 -7.317 2.228 -0.339 1.00 3.87 C ATOM 641 C GLN A 41 -6.497 3.345 0.352 1.00 4.79 C ATOM 642 O GLN A 41 -6.299 4.442 -0.143 1.00 6.34 O ATOM 643 CB GLN A 41 -6.284 1.479 -1.242 1.00 4.20 C ATOM 644 CG GLN A 41 -6.808 0.296 -2.057 1.00 3.20 C ATOM 645 CD GLN A 41 -5.748 -0.336 -2.961 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.643 -0.516 -2.521 1.00 5.21 O ATOM 647 NE2 GLN A 41 -5.978 -0.756 -4.238 1.00 7.13 N ATOM 0 H GLN A 41 -7.837 3.531 -1.824 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.817 1.537 0.340 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.851 2.202 -1.933 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.474 1.121 -0.606 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.193 -0.463 -1.376 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.646 0.629 -2.670 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.898 -0.627 -4.659 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.230 -1.199 -4.772 1.00 7.13 H new ATOM 656 N ARG A 42 -5.978 2.839 1.491 1.00 5.73 N ATOM 657 CA ARG A 42 -5.108 3.675 2.309 1.00 6.97 C ATOM 658 C ARG A 42 -3.921 2.890 2.786 1.00 7.15 C ATOM 659 O ARG A 42 -3.977 2.264 3.838 1.00 7.33 O ATOM 660 CB ARG A 42 -5.880 4.297 3.514 1.00 13.23 C ATOM 661 CG ARG A 42 -7.158 5.025 3.075 1.00 21.27 C ATOM 662 CD ARG A 42 -8.044 5.449 4.295 1.00 26.14 C ATOM 663 NE ARG A 42 -9.152 6.112 3.693 1.00 32.26 N ATOM 664 CZ ARG A 42 -10.325 6.436 4.158 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.776 6.004 5.311 1.00 35.30 N ATOM 666 NH2 ARG A 42 -11.060 7.326 3.474 1.00 36.39 N ATOM 0 H ARG A 42 -6.143 1.896 1.844 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.754 4.497 1.686 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.138 3.510 4.222 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.228 4.996 4.038 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.890 5.910 2.497 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.736 4.377 2.416 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.363 4.585 4.878 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -7.503 6.109 4.973 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.999 6.382 2.721 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -10.201 5.387 5.885 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -11.702 6.285 5.634 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -10.697 7.732 2.611 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -11.982 7.597 3.816 1.00 36.39 H new ATOM 680 N LEU A 43 -2.827 2.836 2.070 1.00 4.65 N ATOM 681 CA LEU A 43 -1.573 2.243 2.546 1.00 3.51 C ATOM 682 C LEU A 43 -0.860 3.137 3.546 1.00 5.56 C ATOM 683 O LEU A 43 -0.532 4.336 3.357 1.00 4.19 O ATOM 684 CB LEU A 43 -0.582 1.926 1.394 1.00 3.74 C ATOM 685 CG LEU A 43 -0.875 0.626 0.751 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.058 0.688 -0.580 1.00 9.55 C ATOM 687 CD2 LEU A 43 -0.542 -0.603 1.518 1.00 6.41 C ATOM 0 H LEU A 43 -2.767 3.206 1.121 1.00 4.65 H new ATOM 0 HA LEU A 43 -1.871 1.312 3.028 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.629 2.718 0.647 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.436 1.916 1.784 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.954 0.522 0.638 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.205 -0.235 -1.140 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.399 1.533 -1.177 1.00 9.55 H new ATOM 0 HD13 LEU A 43 1.001 0.809 -0.352 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -0.808 -1.482 0.930 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.527 -0.620 1.733 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.100 -0.610 2.454 1.00 6.41 H new ATOM 699 N ILE A 44 -0.588 2.506 4.711 1.00 4.58 N ATOM 700 CA ILE A 44 -0.003 3.168 5.841 1.00 5.55 C ATOM 701 C ILE A 44 1.306 2.472 6.221 1.00 5.46 C ATOM 702 O ILE A 44 1.477 1.309 6.130 1.00 6.04 O ATOM 703 CB ILE A 44 -0.964 3.094 7.030 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.189 3.980 6.748 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.335 3.431 8.434 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.320 3.946 7.801 1.00 13.90 C ATOM 0 H ILE A 44 -0.779 1.517 4.868 1.00 4.58 H new ATOM 0 HA ILE A 44 0.192 4.209 5.585 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.252 2.046 7.116 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.849 5.010 6.646 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.609 3.686 5.786 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.101 3.349 9.205 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.472 2.731 8.648 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.059 4.447 8.422 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.126 4.610 7.490 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.702 2.929 7.892 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.930 4.274 8.764 1.00 13.90 H new ATOM 718 N PHE A 45 2.290 3.275 6.713 1.00 6.75 N ATOM 719 CA PHE A 45 3.518 2.889 7.363 1.00 4.70 C ATOM 720 C PHE A 45 3.870 4.122 8.211 1.00 6.34 C ATOM 721 O PHE A 45 3.458 5.274 7.990 1.00 5.45 O ATOM 722 CB PHE A 45 4.578 2.599 6.247 1.00 5.51 C ATOM 723 CG PHE A 45 5.855 1.954 6.753 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.893 0.576 7.115 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.068 2.641 6.658 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.115 -0.054 7.435 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.301 1.953 6.949 1.00 6.64 C ATOM 728 CZ PHE A 45 8.355 0.643 7.394 1.00 6.84 C ATOM 0 H PHE A 45 2.211 4.290 6.646 1.00 6.75 H new ATOM 0 HA PHE A 45 3.463 1.994 7.982 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.129 1.949 5.496 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.830 3.535 5.749 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.976 0.007 7.145 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.082 3.681 6.368 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.109 -1.096 7.719 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.230 2.487 6.813 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.283 0.178 7.692 1.00 6.84 H new ATOM 738 N ALA A 46 4.507 3.836 9.354 1.00 6.53 N ATOM 739 CA ALA A 46 4.853 4.736 10.369 1.00 7.15 C ATOM 740 C ALA A 46 3.633 5.437 10.980 1.00 9.00 C ATOM 741 O ALA A 46 3.790 6.537 11.475 1.00 11.15 O ATOM 742 CB ALA A 46 5.907 5.747 9.879 1.00 8.99 C ATOM 0 H ALA A 46 4.800 2.884 9.573 1.00 6.53 H new ATOM 0 HA ALA A 46 5.299 4.150 11.172 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.157 6.433 10.688 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.805 5.214 9.566 1.00 8.99 H new ATOM 0 HB3 ALA A 46 5.507 6.310 9.036 1.00 8.99 H new ATOM 748 N GLY A 47 2.453 4.782 11.022 1.00 9.35 N ATOM 749 CA GLY A 47 1.242 5.367 11.645 1.00 11.68 C ATOM 750 C GLY A 47 0.495 6.387 10.802 1.00 11.14 C ATOM 751 O GLY A 47 -0.465 6.988 11.265 1.00 13.93 O ATOM 0 H GLY A 47 2.311 3.850 10.633 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.557 4.557 11.894 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.531 5.840 12.583 1.00 11.68 H new ATOM 755 N LYS A 48 0.881 6.734 9.554 1.00 10.47 N ATOM 756 CA LYS A 48 0.410 7.822 8.781 1.00 8.82 C ATOM 757 C LYS A 48 0.263 7.294 7.318 1.00 7.68 C ATOM 758 O LYS A 48 0.843 6.247 6.931 1.00 6.47 O ATOM 759 CB LYS A 48 1.350 9.051 8.893 1.00 9.74 C ATOM 760 CG LYS A 48 2.827 8.734 8.571 1.00 14.14 C ATOM 761 CD LYS A 48 3.663 10.050 8.765 1.00 16.32 C ATOM 762 CE LYS A 48 5.201 9.894 8.434 1.00 20.04 C ATOM 763 NZ LYS A 48 5.921 11.094 8.998 1.00 23.92 N ATOM 0 H LYS A 48 1.588 6.195 9.054 1.00 10.47 H new ATOM 0 HA LYS A 48 -0.553 8.181 9.144 1.00 8.82 H new ATOM 0 HB2 LYS A 48 0.999 9.829 8.215 1.00 9.74 H new ATOM 0 HB3 LYS A 48 1.286 9.455 9.903 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.199 7.947 9.227 1.00 14.14 H new ATOM 0 HG3 LYS A 48 2.924 8.369 7.548 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.243 10.831 8.131 1.00 16.32 H new ATOM 0 HD3 LYS A 48 3.557 10.386 9.796 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.593 8.975 8.869 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.355 9.828 7.357 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.938 11.016 8.794 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 5.545 11.961 8.563 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.777 11.133 10.027 1.00 23.92 H new ATOM 777 N GLN A 49 -0.550 7.959 6.495 1.00 8.89 N ATOM 778 CA GLN A 49 -0.794 7.606 5.096 1.00 7.18 C ATOM 779 C GLN A 49 0.339 8.153 4.197 1.00 8.23 C ATOM 780 O GLN A 49 1.077 9.072 4.525 1.00 9.70 O ATOM 781 CB GLN A 49 -2.126 8.235 4.679 1.00 11.67 C ATOM 782 CG GLN A 49 -3.300 7.777 5.550 1.00 15.82 C ATOM 783 CD GLN A 49 -4.667 8.289 5.072 1.00 20.21 C ATOM 784 OE1 GLN A 49 -5.082 7.823 3.998 1.00 23.23 O ATOM 785 NE2 GLN A 49 -5.298 9.266 5.737 1.00 20.67 N ATOM 0 H GLN A 49 -1.072 8.783 6.793 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.826 6.522 4.986 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.042 9.320 4.733 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.332 7.982 3.639 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.319 6.687 5.573 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -3.134 8.115 6.573 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.915 9.614 6.616 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -6.161 9.662 5.364 1.00 20.67 H new ATOM 794 N LEU A 50 0.448 7.478 3.023 1.00 6.51 N ATOM 795 CA LEU A 50 1.598 7.629 2.162 1.00 7.41 C ATOM 796 C LEU A 50 1.239 8.383 0.876 1.00 8.27 C ATOM 797 O LEU A 50 0.097 8.497 0.463 1.00 8.34 O ATOM 798 CB LEU A 50 2.245 6.263 1.790 1.00 7.13 C ATOM 799 CG LEU A 50 2.739 5.319 2.888 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.750 4.303 2.245 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.484 5.967 4.087 1.00 9.11 C ATOM 0 H LEU A 50 -0.258 6.830 2.672 1.00 6.51 H new ATOM 0 HA LEU A 50 2.325 8.209 2.731 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.517 5.712 1.194 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.094 6.474 1.140 1.00 7.13 H new ATOM 0 HG LEU A 50 1.828 4.878 3.292 1.00 7.53 H new ATOM 0 HD11 LEU A 50 4.116 3.619 3.011 1.00 8.14 H new ATOM 0 HD12 LEU A 50 3.247 3.735 1.462 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.590 4.848 1.815 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.781 5.191 4.793 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.371 6.488 3.726 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.824 6.677 4.585 1.00 9.11 H new ATOM 813 N GLU A 51 2.269 9.009 0.227 1.00 9.43 N ATOM 814 CA GLU A 51 2.065 9.776 -0.935 1.00 11.90 C ATOM 815 C GLU A 51 2.230 8.831 -2.068 1.00 11.49 C ATOM 816 O GLU A 51 3.240 8.060 -2.148 1.00 9.88 O ATOM 817 CB GLU A 51 3.140 10.847 -1.055 1.00 16.56 C ATOM 818 CG GLU A 51 3.143 11.634 -2.424 1.00 26.06 C ATOM 819 CD GLU A 51 3.939 12.876 -2.270 1.00 29.86 C ATOM 820 OE1 GLU A 51 5.195 12.879 -2.332 1.00 33.44 O ATOM 821 OE2 GLU A 51 3.264 13.913 -2.040 1.00 32.13 O ATOM 0 H GLU A 51 3.241 8.965 0.534 1.00 9.43 H new ATOM 0 HA GLU A 51 1.089 10.261 -0.919 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.013 11.562 -0.242 1.00 16.56 H new ATOM 0 HB3 GLU A 51 4.115 10.379 -0.919 1.00 16.56 H new ATOM 0 HG2 GLU A 51 3.565 11.013 -3.214 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.122 11.876 -2.720 1.00 26.06 H new ATOM 828 N ASP A 52 1.235 8.837 -2.965 1.00 12.71 N ATOM 829 CA ASP A 52 0.969 8.011 -4.080 1.00 16.56 C ATOM 830 C ASP A 52 2.096 8.049 -5.082 1.00 15.83 C ATOM 831 O ASP A 52 2.593 7.031 -5.573 1.00 17.21 O ATOM 832 CB ASP A 52 -0.286 8.503 -4.888 1.00 21.05 C ATOM 833 CG ASP A 52 -1.476 8.223 -4.060 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.492 8.642 -2.872 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.412 7.533 -4.555 1.00 28.37 O ATOM 0 H ASP A 52 0.504 9.544 -2.881 1.00 12.71 H new ATOM 0 HA ASP A 52 0.821 7.016 -3.660 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.210 9.569 -5.105 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.354 7.987 -5.846 1.00 21.05 H new ATOM 840 N GLY A 53 2.557 9.278 -5.434 1.00 15.00 N ATOM 841 CA GLY A 53 3.672 9.499 -6.412 1.00 11.77 C ATOM 842 C GLY A 53 5.098 9.230 -5.893 1.00 11.10 C ATOM 843 O GLY A 53 6.053 9.555 -6.549 1.00 11.25 O ATOM 0 H GLY A 53 2.173 10.143 -5.054 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.498 8.862 -7.279 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.623 10.531 -6.759 1.00 11.77 H new ATOM 847 N ARG A 54 5.224 8.662 -4.646 1.00 8.53 N ATOM 848 CA ARG A 54 6.516 8.570 -4.012 1.00 9.05 C ATOM 849 C ARG A 54 6.799 7.105 -3.843 1.00 8.96 C ATOM 850 O ARG A 54 5.889 6.244 -3.818 1.00 11.60 O ATOM 851 CB ARG A 54 6.469 9.218 -2.603 1.00 7.97 C ATOM 852 CG ARG A 54 7.846 9.645 -2.099 1.00 9.62 C ATOM 853 CD ARG A 54 7.882 10.282 -0.721 1.00 12.20 C ATOM 854 NE ARG A 54 7.015 11.493 -0.714 1.00 18.23 N ATOM 855 CZ ARG A 54 6.874 12.324 0.336 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.612 12.256 1.479 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.898 13.173 0.244 1.00 23.38 N ATOM 0 H ARG A 54 4.449 8.281 -4.102 1.00 8.53 H new ATOM 0 HA ARG A 54 7.274 9.078 -4.609 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.812 10.087 -2.630 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.033 8.511 -1.898 1.00 7.97 H new ATOM 0 HG2 ARG A 54 8.495 8.770 -2.090 1.00 9.62 H new ATOM 0 HG3 ARG A 54 8.271 10.349 -2.814 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.538 9.571 0.030 1.00 12.20 H new ATOM 0 HD3 ARG A 54 8.905 10.552 -0.459 1.00 12.20 H new ATOM 0 HE ARG A 54 6.492 11.708 -1.563 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.330 11.538 1.581 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.447 12.923 2.233 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.302 13.177 -0.584 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.726 13.836 0.999 1.00 23.38 H new ATOM 871 N THR A 55 8.086 6.733 -3.839 1.00 9.05 N ATOM 872 CA THR A 55 8.478 5.385 -3.803 1.00 9.03 C ATOM 873 C THR A 55 8.629 4.610 -2.494 1.00 8.15 C ATOM 874 O THR A 55 8.692 5.228 -1.397 1.00 5.91 O ATOM 875 CB THR A 55 9.814 5.061 -4.542 1.00 11.15 C ATOM 876 OG1 THR A 55 11.044 5.328 -3.832 1.00 11.95 O ATOM 877 CG2 THR A 55 9.894 5.878 -5.868 1.00 11.71 C ATOM 0 H THR A 55 8.864 7.392 -3.861 1.00 9.05 H new ATOM 0 HA THR A 55 7.560 5.052 -4.288 1.00 9.03 H new ATOM 0 HB THR A 55 9.759 3.981 -4.677 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.263 6.281 -3.903 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.828 5.649 -6.381 1.00 11.71 H new ATOM 0 HG22 THR A 55 9.054 5.613 -6.510 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.856 6.944 -5.642 1.00 11.71 H new ATOM 885 N LEU A 56 8.703 3.266 -2.522 1.00 6.91 N ATOM 886 CA LEU A 56 9.067 2.438 -1.399 1.00 8.29 C ATOM 887 C LEU A 56 10.374 2.773 -0.748 1.00 8.05 C ATOM 888 O LEU A 56 10.441 2.812 0.475 1.00 10.17 O ATOM 889 CB LEU A 56 9.026 0.873 -1.784 1.00 6.60 C ATOM 890 CG LEU A 56 7.684 0.255 -2.235 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.847 -1.227 -2.757 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.688 0.337 -1.084 1.00 8.64 C ATOM 0 H LEU A 56 8.501 2.726 -3.364 1.00 6.91 H new ATOM 0 HA LEU A 56 8.305 2.660 -0.652 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.750 0.710 -2.582 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.375 0.310 -0.918 1.00 6.60 H new ATOM 0 HG LEU A 56 7.307 0.828 -3.082 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.875 -1.615 -3.061 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.526 -1.240 -3.610 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.253 -1.851 -1.961 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.737 -0.097 -1.394 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.076 -0.213 -0.227 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.537 1.380 -0.807 1.00 8.64 H new ATOM 904 N SER A 57 11.409 3.121 -1.576 1.00 8.92 N ATOM 905 CA SER A 57 12.768 3.578 -1.137 1.00 9.00 C ATOM 906 C SER A 57 12.571 4.831 -0.295 1.00 9.44 C ATOM 907 O SER A 57 13.343 4.934 0.698 1.00 10.91 O ATOM 908 CB SER A 57 13.866 3.780 -2.250 1.00 10.32 C ATOM 909 OG SER A 57 13.794 5.026 -2.997 1.00 13.59 O ATOM 0 H SER A 57 11.318 3.090 -2.591 1.00 8.92 H new ATOM 0 HA SER A 57 13.200 2.754 -0.569 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.847 3.717 -1.780 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.797 2.952 -2.955 1.00 10.32 H new ATOM 0 HG SER A 57 12.875 5.171 -3.304 1.00 13.59 H new ATOM 915 N ASP A 58 11.801 5.857 -0.726 1.00 9.11 N ATOM 916 CA ASP A 58 11.747 7.117 -0.140 1.00 7.91 C ATOM 917 C ASP A 58 11.026 7.112 1.247 1.00 9.12 C ATOM 918 O ASP A 58 11.122 8.091 2.008 1.00 8.61 O ATOM 919 CB ASP A 58 10.974 8.019 -1.126 1.00 8.41 C ATOM 920 CG ASP A 58 11.706 8.252 -2.404 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.834 8.863 -2.402 1.00 10.05 O ATOM 922 OD2 ASP A 58 11.121 7.953 -3.460 1.00 11.70 O ATOM 0 H ASP A 58 11.188 5.772 -1.537 1.00 9.11 H new ATOM 0 HA ASP A 58 12.759 7.473 0.050 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.009 7.563 -1.345 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.773 8.978 -0.650 1.00 8.41 H new ATOM 927 N TYR A 59 10.292 5.994 1.517 1.00 7.97 N ATOM 928 CA TYR A 59 9.577 5.782 2.757 1.00 8.45 C ATOM 929 C TYR A 59 10.331 4.839 3.602 1.00 10.98 C ATOM 930 O TYR A 59 9.901 4.478 4.688 1.00 12.95 O ATOM 931 CB TYR A 59 8.169 5.217 2.456 1.00 7.94 C ATOM 932 CG TYR A 59 7.259 6.469 2.148 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.066 7.463 3.157 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.602 6.693 0.911 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.243 8.516 2.937 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.724 7.754 0.688 1.00 6.52 C ATOM 937 CZ TYR A 59 5.568 8.708 1.676 1.00 6.76 C ATOM 938 OH TYR A 59 4.768 9.877 1.518 1.00 7.63 O ATOM 0 H TYR A 59 10.196 5.223 0.857 1.00 7.97 H new ATOM 0 HA TYR A 59 9.472 6.730 3.285 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.195 4.534 1.607 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.784 4.654 3.306 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.581 7.374 4.102 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.791 6.006 0.099 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.087 9.233 3.729 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.176 7.829 -0.240 1.00 6.52 H new ATOM 0 HH TYR A 59 5.136 10.602 2.065 1.00 7.63 H new ATOM 948 N ASN A 60 11.535 4.387 3.212 1.00 12.38 N ATOM 949 CA ASN A 60 12.317 3.303 3.808 1.00 13.94 C ATOM 950 C ASN A 60 11.579 1.949 4.072 1.00 14.16 C ATOM 951 O ASN A 60 11.649 1.323 5.107 1.00 14.26 O ATOM 952 CB ASN A 60 13.009 3.756 5.087 1.00 19.23 C ATOM 953 CG ASN A 60 13.835 4.967 4.788 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.460 6.046 5.264 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.972 4.899 4.071 1.00 24.09 N ATOM 0 H ASN A 60 12.017 4.803 2.415 1.00 12.38 H new ATOM 0 HA ASN A 60 13.038 3.077 3.022 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.270 3.984 5.855 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.639 2.957 5.478 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.529 5.739 3.918 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.276 4.007 3.681 1.00 24.09 H new ATOM 962 N ILE A 61 10.720 1.538 3.157 1.00 11.08 N ATOM 963 CA ILE A 61 9.970 0.282 3.214 1.00 11.78 C ATOM 964 C ILE A 61 10.842 -0.802 2.585 1.00 13.74 C ATOM 965 O ILE A 61 11.001 -0.774 1.387 1.00 14.60 O ATOM 966 CB ILE A 61 8.638 0.363 2.522 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.742 1.385 3.249 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.062 -1.094 2.504 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.737 2.002 2.310 1.00 11.42 C ATOM 0 H ILE A 61 10.513 2.084 2.321 1.00 11.08 H new ATOM 0 HA ILE A 61 9.745 0.051 4.255 1.00 11.78 H new ATOM 0 HB ILE A 61 8.708 0.721 1.495 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.221 0.894 4.071 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.362 2.168 3.687 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.090 -1.095 2.010 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.745 -1.749 1.962 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.950 -1.454 3.527 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.122 2.718 2.855 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.260 2.514 1.502 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.102 1.221 1.893 1.00 11.42 H new ATOM 981 N GLN A 62 11.362 -1.696 3.368 1.00 13.97 N ATOM 982 CA GLN A 62 12.380 -2.623 3.037 1.00 15.52 C ATOM 983 C GLN A 62 11.842 -3.985 2.589 1.00 13.94 C ATOM 984 O GLN A 62 10.695 -4.362 2.781 1.00 12.15 O ATOM 985 CB GLN A 62 13.442 -2.890 4.159 1.00 19.53 C ATOM 986 CG GLN A 62 14.212 -1.567 4.544 1.00 26.38 C ATOM 987 CD GLN A 62 14.789 -1.625 5.952 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.437 -0.947 6.933 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.836 -2.450 6.076 1.00 32.71 N ATOM 0 H GLN A 62 11.053 -1.798 4.335 1.00 13.97 H new ATOM 0 HA GLN A 62 12.874 -2.113 2.210 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.948 -3.296 5.042 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.154 -3.642 3.818 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.018 -1.397 3.830 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.533 -0.718 4.466 1.00 26.38 H new ATOM 0 HE21 GLN A 62 16.138 -3.013 5.281 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.331 -2.515 6.965 1.00 32.71 H new ATOM 998 N LYS A 63 12.710 -4.860 2.040 1.00 11.73 N ATOM 999 CA LYS A 63 12.487 -6.254 1.797 1.00 11.97 C ATOM 1000 C LYS A 63 11.858 -7.008 2.985 1.00 10.41 C ATOM 1001 O LYS A 63 12.443 -7.067 4.078 1.00 9.59 O ATOM 1002 CB LYS A 63 13.741 -7.003 1.215 1.00 13.73 C ATOM 1003 CG LYS A 63 14.878 -7.294 2.169 1.00 16.98 C ATOM 1004 CD LYS A 63 15.900 -8.326 1.609 1.00 20.19 C ATOM 1005 CE LYS A 63 16.996 -8.736 2.636 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.153 -9.477 2.046 1.00 25.97 N ATOM 0 H LYS A 63 13.641 -4.566 1.744 1.00 11.73 H new ATOM 0 HA LYS A 63 11.734 -6.264 1.009 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.403 -7.950 0.794 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.136 -6.410 0.390 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.399 -6.364 2.398 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.469 -7.669 3.107 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.363 -9.218 1.287 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.380 -7.906 0.725 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.369 -7.838 3.128 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.539 -9.356 3.408 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.834 -9.711 2.796 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.813 -10.353 1.601 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.617 -8.882 1.330 1.00 25.97 H new ATOM 1020 N GLU A 64 10.741 -7.659 2.704 1.00 10.04 N ATOM 1021 CA GLU A 64 9.825 -8.384 3.607 1.00 10.94 C ATOM 1022 C GLU A 64 9.327 -7.571 4.783 1.00 9.74 C ATOM 1023 O GLU A 64 9.118 -8.057 5.901 1.00 9.42 O ATOM 1024 CB GLU A 64 10.423 -9.781 3.976 1.00 18.31 C ATOM 1025 CG GLU A 64 10.351 -10.651 2.691 1.00 24.16 C ATOM 1026 CD GLU A 64 10.642 -12.070 3.028 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.807 -12.295 3.490 1.00 32.61 O ATOM 1028 OE2 GLU A 64 9.777 -13.004 2.996 1.00 31.72 O ATOM 0 H GLU A 64 10.408 -7.705 1.741 1.00 10.04 H new ATOM 0 HA GLU A 64 8.902 -8.568 3.057 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.453 -9.683 4.320 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.859 -10.241 4.787 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.362 -10.570 2.241 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.068 -10.288 1.954 1.00 24.16 H new ATOM 1035 N SER A 65 9.140 -6.236 4.633 1.00 6.85 N ATOM 1036 CA SER A 65 8.543 -5.384 5.761 1.00 6.90 C ATOM 1037 C SER A 65 7.015 -5.381 5.693 1.00 4.72 C ATOM 1038 O SER A 65 6.469 -5.749 4.633 1.00 3.91 O ATOM 1039 CB SER A 65 9.022 -3.871 5.549 1.00 7.28 C ATOM 1040 OG SER A 65 8.818 -3.183 6.799 1.00 10.56 O ATOM 0 H SER A 65 9.375 -5.716 3.787 1.00 6.85 H new ATOM 0 HA SER A 65 8.869 -5.795 6.717 1.00 6.90 H new ATOM 0 HB2 SER A 65 10.072 -3.837 5.257 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.453 -3.395 4.750 1.00 7.28 H new ATOM 0 HG SER A 65 8.291 -2.371 6.644 1.00 10.56 H new ATOM 1046 N THR A 66 6.309 -5.016 6.751 1.00 4.48 N ATOM 1047 CA THR A 66 4.845 -5.069 6.789 1.00 3.80 C ATOM 1048 C THR A 66 4.191 -3.723 6.778 1.00 4.60 C ATOM 1049 O THR A 66 4.510 -2.877 7.574 1.00 5.33 O ATOM 1050 CB THR A 66 4.277 -5.901 7.973 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.724 -7.230 7.878 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.760 -5.985 8.148 1.00 3.40 C ATOM 0 H THR A 66 6.731 -4.672 7.614 1.00 4.48 H new ATOM 0 HA THR A 66 4.594 -5.580 5.859 1.00 3.80 H new ATOM 0 HB THR A 66 4.648 -5.342 8.832 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.365 -7.750 8.627 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.528 -6.601 9.017 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.355 -4.984 8.294 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.315 -6.431 7.258 1.00 3.40 H new ATOM 1060 N LEU A 67 3.261 -3.510 5.811 1.00 4.17 N ATOM 1061 CA LEU A 67 2.427 -2.321 5.703 1.00 3.85 C ATOM 1062 C LEU A 67 1.013 -2.585 6.275 1.00 3.80 C ATOM 1063 O LEU A 67 0.425 -3.656 6.173 1.00 5.54 O ATOM 1064 CB LEU A 67 2.259 -1.991 4.180 1.00 7.18 C ATOM 1065 CG LEU A 67 3.594 -1.906 3.378 1.00 9.67 C ATOM 1066 CD1 LEU A 67 3.401 -1.485 1.919 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.529 -0.878 3.987 1.00 11.66 C ATOM 0 H LEU A 67 3.079 -4.190 5.073 1.00 4.17 H new ATOM 0 HA LEU A 67 2.896 -1.508 6.256 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.626 -2.753 3.725 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.733 -1.041 4.084 1.00 7.18 H new ATOM 0 HG LEU A 67 4.005 -2.915 3.420 1.00 9.67 H new ATOM 0 HD11 LEU A 67 4.369 -1.446 1.420 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.761 -2.208 1.413 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.935 -0.500 1.883 1.00 8.12 H new ATOM 0 HD21 LEU A 67 5.452 -0.838 3.409 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.051 0.101 3.974 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.757 -1.157 5.016 1.00 11.66 H new ATOM 1079 N HIS A 68 0.406 -1.548 6.908 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.014 -1.520 7.245 1.00 4.17 C ATOM 1081 C HIS A 68 -1.820 -0.962 6.093 1.00 5.32 C ATOM 1082 O HIS A 68 -1.325 -0.116 5.362 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.282 -0.578 8.485 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.802 -1.204 9.712 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -1.119 -0.826 10.993 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.158 -2.393 9.877 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.641 -1.760 11.820 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.072 -2.735 11.233 1.00 16.30 N ATOM 0 H HIS A 68 0.906 -0.707 7.195 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.307 -2.545 7.470 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.782 0.379 8.338 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.349 -0.370 8.568 1.00 5.57 H new ATOM 0 HD2 HIS A 68 0.234 -2.993 9.069 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -0.730 -1.693 12.894 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.347 -3.567 11.650 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.079 -1.418 5.930 1.00 5.29 N ATOM 1097 CA LEU A 69 -3.940 -0.952 4.892 1.00 3.97 C ATOM 1098 C LEU A 69 -5.343 -0.833 5.484 1.00 5.07 C ATOM 1099 O LEU A 69 -5.692 -1.697 6.331 1.00 4.34 O ATOM 1100 CB LEU A 69 -3.888 -1.959 3.747 1.00 6.08 C ATOM 1101 CG LEU A 69 -4.927 -1.769 2.589 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -4.851 -0.351 1.967 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -4.660 -2.870 1.499 1.00 9.96 C ATOM 0 H LEU A 69 -3.503 -2.123 6.533 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.639 0.020 4.502 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -2.888 -1.929 3.314 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.025 -2.956 4.165 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.933 -1.875 2.995 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.588 -0.264 1.169 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.058 0.395 2.735 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -3.854 -0.185 1.559 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -5.374 -2.755 0.683 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -3.647 -2.761 1.113 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -4.774 -3.858 1.944 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.031 0.280 5.081 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.388 0.546 5.438 1.00 6.26 C ATOM 1117 C VAL A 70 -8.093 0.637 4.159 1.00 9.22 C ATOM 1118 O VAL A 70 -7.669 1.374 3.296 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.627 1.816 6.317 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -9.164 1.891 6.656 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.779 1.686 7.588 1.00 8.54 C ATOM 0 H VAL A 70 -5.618 1.003 4.492 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.753 -0.250 6.087 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.337 2.730 5.799 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -9.359 2.770 7.270 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.738 1.960 5.732 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.461 0.995 7.201 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.930 2.563 8.218 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -7.077 0.791 8.134 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.726 1.611 7.317 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.232 -0.097 3.996 1.00 12.71 N ATOM 1132 CA LEU A 71 -9.966 -0.187 2.792 1.00 16.06 C ATOM 1133 C LEU A 71 -11.210 0.569 3.124 1.00 18.09 C ATOM 1134 O LEU A 71 -11.838 0.184 4.108 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.337 -1.670 2.560 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.128 -2.578 2.149 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -9.500 -4.031 1.870 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -8.378 -2.009 0.926 1.00 19.57 C ATOM 0 H LEU A 71 -9.641 -0.645 4.753 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.439 0.183 1.912 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -10.783 -2.068 3.472 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.099 -1.725 1.782 1.00 17.10 H new ATOM 0 HG LEU A 71 -8.478 -2.573 3.024 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -8.606 -4.589 1.593 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -9.940 -4.472 2.764 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.221 -4.072 1.053 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -7.546 -2.666 0.671 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.061 -1.943 0.079 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -7.996 -1.016 1.163 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.539 1.573 2.261 1.00 21.47 N ATOM 1151 CA ARG A 72 -12.681 2.467 2.373 1.00 25.83 C ATOM 1152 C ARG A 72 -14.028 1.704 2.160 1.00 27.74 C ATOM 1153 O ARG A 72 -14.164 0.730 1.385 1.00 30.65 O ATOM 1154 CB ARG A 72 -12.578 3.616 1.431 1.00 28.49 C ATOM 1155 CG ARG A 72 -13.553 4.783 1.781 1.00 31.79 C ATOM 1156 CD ARG A 72 -13.343 6.005 0.902 1.00 34.05 C ATOM 1157 NE ARG A 72 -14.071 7.151 1.607 1.00 35.08 N ATOM 1158 CZ ARG A 72 -14.109 8.359 1.139 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -13.450 8.823 0.101 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -14.908 9.156 1.774 1.00 35.02 N ATOM 0 H ARG A 72 -10.974 1.773 1.436 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.672 2.865 3.388 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -11.555 3.991 1.436 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -12.785 3.268 0.419 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -14.581 4.436 1.675 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -13.417 5.064 2.825 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -12.282 6.227 0.787 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -13.745 5.842 -0.098 1.00 34.05 H new ATOM 0 HE ARG A 72 -14.549 6.955 2.487 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -12.830 8.208 -0.426 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -13.559 9.798 -0.178 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -15.443 8.813 2.572 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -15.003 10.127 1.476 1.00 35.02 H new ATOM 1174 N LEU A 73 -15.026 2.126 2.986 1.00 28.93 N ATOM 1175 CA LEU A 73 -16.353 1.515 2.920 1.00 30.76 C ATOM 1176 C LEU A 73 -17.275 2.507 2.222 1.00 32.18 C ATOM 1177 O LEU A 73 -17.019 3.743 2.269 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.931 1.285 4.403 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.401 0.021 5.131 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.544 0.194 6.635 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.099 -1.314 4.610 1.00 29.11 C ATOM 0 H LEU A 73 -14.927 2.866 3.681 1.00 28.93 H new ATOM 0 HA LEU A 73 -16.294 0.561 2.396 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.693 2.160 5.008 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -18.018 1.223 4.346 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.342 -0.089 4.897 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.170 -0.696 7.141 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.970 1.062 6.958 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.595 0.340 6.886 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.695 -2.170 5.150 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.174 -1.253 4.780 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.906 -1.433 3.544 1.00 29.11 H new ATOM 1193 N ARG A 74 -18.429 2.049 1.606 1.00 33.82 N ATOM 1194 CA ARG A 74 -19.254 2.961 0.789 1.00 35.33 C ATOM 1195 C ARG A 74 -19.913 4.206 1.549 1.00 36.22 C ATOM 1196 O ARG A 74 -19.947 5.365 1.118 1.00 36.70 O ATOM 1197 CB ARG A 74 -20.403 2.093 0.161 1.00 36.91 C ATOM 1198 CG ARG A 74 -20.036 1.076 -0.982 1.00 38.62 C ATOM 1199 CD ARG A 74 -19.538 1.803 -2.256 1.00 39.75 C ATOM 1200 NE ARG A 74 -18.819 0.786 -3.077 1.00 41.13 N ATOM 1201 CZ ARG A 74 -18.012 1.057 -4.119 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -18.098 2.268 -4.722 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -17.229 0.085 -4.594 1.00 41.93 N ATOM 0 H ARG A 74 -18.778 1.092 1.669 1.00 33.82 H new ATOM 0 HA ARG A 74 -18.579 3.414 0.063 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -20.872 1.530 0.968 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -21.157 2.775 -0.232 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -19.264 0.393 -0.627 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -20.910 0.471 -1.226 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -20.374 2.227 -2.811 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.876 2.629 -1.996 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.950 -0.195 -2.828 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -18.768 2.959 -4.385 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.493 2.488 -5.513 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.250 -0.841 -4.168 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.610 0.269 -5.383 1.00 41.93 H new ATOM 1217 N GLY A 75 -20.320 3.995 2.865 1.00 36.31 N ATOM 1218 CA GLY A 75 -20.920 5.086 3.629 1.00 36.07 C ATOM 1219 C GLY A 75 -19.906 5.954 4.356 1.00 36.16 C ATOM 1220 O GLY A 75 -20.192 6.853 5.205 1.00 36.26 O ATOM 0 H GLY A 75 -20.234 3.111 3.366 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -21.503 5.712 2.954 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -21.615 4.668 4.357 1.00 36.07 H new ATOM 1224 N GLY A 76 -18.625 5.688 4.046 1.00 36.05 N ATOM 1225 CA GLY A 76 -17.525 6.125 4.907 1.00 36.19 C ATOM 1226 C GLY A 76 -16.434 6.799 4.014 1.00 36.20 C ATOM 1227 O GLY A 76 -15.257 6.311 3.981 1.00 0.00 O ATOM 1228 OXT GLY A 76 -16.715 7.809 3.339 1.00 0.00 O ATOM 0 H GLY A 76 -18.333 5.177 3.213 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -17.887 6.828 5.657 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -17.103 5.275 5.444 1.00 36.19 H new TER 1232 GLY A 76