USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 806 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 27 HIS : no HD1:sc= -1.71 K(o=-0.86,f=-5.8) USER MOD Set 1.2: A 28 LYS NZ :NH3+ 139:sc= 0.845 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 38:sc= 0.108 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 176:sc= 1.2 (180deg=1.19) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 61:sc= 1.31 USER MOD Single : A 22 THR OG1 : rot 36:sc= 0.781 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= 1.22 (180deg=1.13) USER MOD Single : A 32 GLN : amide:sc= -1.57 K(o=-1.6,f=-5.1!) USER MOD Single : A 33 MET CE :methyl 171:sc= 0 (180deg=-0.01) USER MOD Single : A 37 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.546) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= 1.2 (180deg=0.163) USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 1.27 (180deg=1.15) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.018) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 150:sc= 1.19 (180deg=-0.25) USER MOD Single : A 56 SER OG : rot 180:sc= 0.0211 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 66:sc= -0.46 USER MOD Single : A 79 SER OG : rot -148:sc= 0.872 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 168:sc= 1.32 (180deg=1.08) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot -78:sc= 0.282 USER MOD ----------------------------------------------------------------- ATOM 48 N THR A 4 10.343 -4.284 8.381 1.00 0.90 N ATOM 49 CA THR A 4 11.565 -5.101 8.356 1.00 0.71 C ATOM 50 C THR A 4 11.328 -6.549 8.787 1.00 0.63 C ATOM 51 O THR A 4 11.733 -7.469 8.075 1.00 0.78 O ATOM 52 CB THR A 4 12.590 -4.439 9.301 1.00 0.96 C ATOM 53 OG1 THR A 4 12.889 -3.156 8.806 1.00 1.18 O ATOM 54 CG2 THR A 4 13.922 -5.168 9.506 1.00 1.09 C ATOM 0 HA THR A 4 11.928 -5.144 7.329 1.00 0.71 H new ATOM 0 HB THR A 4 12.100 -4.447 10.275 1.00 0.96 H new ATOM 0 HG1 THR A 4 12.077 -2.750 8.437 1.00 1.18 H new ATOM 0 HG21 THR A 4 14.548 -4.596 10.191 1.00 1.09 H new ATOM 0 HG22 THR A 4 13.735 -6.157 9.925 1.00 1.09 H new ATOM 0 HG23 THR A 4 14.432 -5.270 8.548 1.00 1.09 H new ATOM 62 N ASP A 5 10.689 -6.736 9.950 1.00 0.66 N ATOM 63 CA ASP A 5 10.465 -8.042 10.576 1.00 0.87 C ATOM 64 C ASP A 5 9.061 -8.601 10.281 1.00 0.83 C ATOM 65 O ASP A 5 8.870 -9.817 10.258 1.00 1.06 O ATOM 66 CB ASP A 5 10.708 -7.890 12.087 1.00 1.15 C ATOM 67 CG ASP A 5 10.862 -9.234 12.803 1.00 1.69 C ATOM 68 OD1 ASP A 5 11.654 -10.063 12.300 1.00 2.86 O ATOM 69 OD2 ASP A 5 10.219 -9.392 13.863 1.00 1.86 O ATOM 0 H ASP A 5 10.305 -5.963 10.493 1.00 0.66 H new ATOM 0 HA ASP A 5 11.161 -8.768 10.155 1.00 0.87 H new ATOM 0 HB2 ASP A 5 11.606 -7.293 12.247 1.00 1.15 H new ATOM 0 HB3 ASP A 5 9.877 -7.341 12.530 1.00 1.15 H new ATOM 74 N LEU A 6 8.094 -7.726 9.964 1.00 0.87 N ATOM 75 CA LEU A 6 6.767 -8.129 9.501 1.00 1.10 C ATOM 76 C LEU A 6 6.887 -8.858 8.165 1.00 0.99 C ATOM 77 O LEU A 6 6.505 -10.016 8.045 1.00 0.99 O ATOM 78 CB LEU A 6 5.835 -6.912 9.354 1.00 1.46 C ATOM 79 CG LEU A 6 5.475 -6.168 10.653 1.00 1.77 C ATOM 80 CD1 LEU A 6 4.541 -4.995 10.329 1.00 3.09 C ATOM 81 CD2 LEU A 6 4.760 -7.070 11.661 1.00 1.99 C ATOM 0 H LEU A 6 8.216 -6.715 10.024 1.00 0.87 H new ATOM 0 HA LEU A 6 6.334 -8.798 10.245 1.00 1.10 H new ATOM 0 HB2 LEU A 6 6.304 -6.203 8.672 1.00 1.46 H new ATOM 0 HB3 LEU A 6 4.910 -7.244 8.882 1.00 1.46 H new ATOM 0 HG LEU A 6 6.411 -5.825 11.093 1.00 1.77 H new ATOM 0 HD11 LEU A 6 4.286 -4.468 11.249 1.00 3.09 H new ATOM 0 HD12 LEU A 6 5.041 -4.310 9.645 1.00 3.09 H new ATOM 0 HD13 LEU A 6 3.631 -5.373 9.863 1.00 3.09 H new ATOM 0 HD21 LEU A 6 4.528 -6.499 12.560 1.00 1.99 H new ATOM 0 HD22 LEU A 6 3.836 -7.446 11.221 1.00 1.99 H new ATOM 0 HD23 LEU A 6 5.406 -7.909 11.921 1.00 1.99 H new ATOM 93 N LEU A 7 7.463 -8.199 7.157 1.00 1.00 N ATOM 94 CA LEU A 7 7.390 -8.640 5.768 1.00 0.95 C ATOM 95 C LEU A 7 8.761 -8.917 5.146 1.00 1.32 C ATOM 96 O LEU A 7 8.848 -8.947 3.929 1.00 3.04 O ATOM 97 CB LEU A 7 6.609 -7.608 4.942 1.00 0.91 C ATOM 98 CG LEU A 7 5.227 -7.139 5.419 1.00 0.71 C ATOM 99 CD1 LEU A 7 4.688 -6.183 4.353 1.00 2.03 C ATOM 100 CD2 LEU A 7 4.243 -8.294 5.592 1.00 1.49 C ATOM 0 H LEU A 7 7.996 -7.339 7.286 1.00 1.00 H new ATOM 0 HA LEU A 7 6.864 -9.595 5.759 1.00 0.95 H new ATOM 0 HB2 LEU A 7 7.238 -6.723 4.848 1.00 0.91 H new ATOM 0 HB3 LEU A 7 6.485 -8.019 3.940 1.00 0.91 H new ATOM 0 HG LEU A 7 5.332 -6.663 6.394 1.00 0.71 H new ATOM 0 HD11 LEU A 7 3.703 -5.823 4.651 1.00 2.03 H new ATOM 0 HD12 LEU A 7 5.367 -5.337 4.247 1.00 2.03 H new ATOM 0 HD13 LEU A 7 4.610 -6.707 3.400 1.00 2.03 H new ATOM 0 HD21 LEU A 7 3.282 -7.906 5.931 1.00 1.49 H new ATOM 0 HD22 LEU A 7 4.112 -8.806 4.639 1.00 1.49 H new ATOM 0 HD23 LEU A 7 4.631 -8.995 6.330 1.00 1.49 H new ATOM 112 N ASN A 8 9.808 -9.161 5.949 1.00 0.62 N ATOM 113 CA ASN A 8 11.155 -9.514 5.495 1.00 0.65 C ATOM 114 C ASN A 8 11.785 -8.391 4.650 1.00 0.77 C ATOM 115 O ASN A 8 11.544 -8.281 3.452 1.00 1.13 O ATOM 116 CB ASN A 8 11.133 -10.890 4.785 1.00 0.89 C ATOM 117 CG ASN A 8 12.035 -11.903 5.458 1.00 1.24 C ATOM 118 OD1 ASN A 8 13.209 -12.024 5.157 1.00 2.21 O ATOM 119 ND2 ASN A 8 11.512 -12.652 6.406 1.00 2.15 N ATOM 0 H ASN A 8 9.734 -9.116 6.965 1.00 0.62 H new ATOM 0 HA ASN A 8 11.808 -9.615 6.362 1.00 0.65 H new ATOM 0 HB2 ASN A 8 10.112 -11.271 4.769 1.00 0.89 H new ATOM 0 HB3 ASN A 8 11.443 -10.765 3.747 1.00 0.89 H new ATOM 0 HD21 ASN A 8 12.090 -13.337 6.892 1.00 2.15 H new ATOM 0 HD22 ASN A 8 10.528 -12.547 6.655 1.00 2.15 H new ATOM 126 N ALA A 9 12.616 -7.546 5.270 1.00 0.50 N ATOM 127 CA ALA A 9 13.202 -6.329 4.683 1.00 0.41 C ATOM 128 C ALA A 9 13.711 -6.431 3.221 1.00 0.27 C ATOM 129 O ALA A 9 13.648 -5.456 2.470 1.00 0.28 O ATOM 130 CB ALA A 9 14.332 -5.874 5.606 1.00 0.44 C ATOM 0 H ALA A 9 12.913 -7.695 6.234 1.00 0.50 H new ATOM 0 HA ALA A 9 12.389 -5.607 4.610 1.00 0.41 H new ATOM 0 HB1 ALA A 9 14.791 -4.972 5.202 1.00 0.44 H new ATOM 0 HB2 ALA A 9 13.930 -5.664 6.597 1.00 0.44 H new ATOM 0 HB3 ALA A 9 15.082 -6.662 5.678 1.00 0.44 H new ATOM 136 N GLU A 10 14.179 -7.610 2.803 1.00 0.31 N ATOM 137 CA GLU A 10 14.619 -7.909 1.432 1.00 0.37 C ATOM 138 C GLU A 10 13.466 -7.832 0.407 1.00 0.39 C ATOM 139 O GLU A 10 13.617 -7.276 -0.683 1.00 0.51 O ATOM 140 CB GLU A 10 15.270 -9.304 1.436 1.00 0.52 C ATOM 141 CG GLU A 10 16.386 -9.411 0.392 1.00 2.09 C ATOM 142 CD GLU A 10 17.053 -10.790 0.422 1.00 2.62 C ATOM 143 OE1 GLU A 10 17.720 -11.083 1.439 1.00 2.61 O ATOM 144 OE2 GLU A 10 16.899 -11.526 -0.579 1.00 3.79 O ATOM 0 H GLU A 10 14.266 -8.411 3.428 1.00 0.31 H new ATOM 0 HA GLU A 10 15.339 -7.154 1.118 1.00 0.37 H new ATOM 0 HB2 GLU A 10 15.676 -9.513 2.426 1.00 0.52 H new ATOM 0 HB3 GLU A 10 14.511 -10.060 1.236 1.00 0.52 H new ATOM 0 HG2 GLU A 10 15.976 -9.226 -0.601 1.00 2.09 H new ATOM 0 HG3 GLU A 10 17.134 -8.640 0.577 1.00 2.09 H new ATOM 151 N ASP A 11 12.287 -8.325 0.793 1.00 0.37 N ATOM 152 CA ASP A 11 11.031 -8.220 0.053 1.00 0.37 C ATOM 153 C ASP A 11 10.550 -6.757 0.031 1.00 0.32 C ATOM 154 O ASP A 11 10.100 -6.272 -1.005 1.00 0.35 O ATOM 155 CB ASP A 11 9.991 -9.158 0.685 1.00 0.40 C ATOM 156 CG ASP A 11 10.414 -10.628 0.812 1.00 0.75 C ATOM 157 OD1 ASP A 11 11.157 -11.121 -0.062 1.00 1.99 O ATOM 158 OD2 ASP A 11 9.934 -11.293 1.760 1.00 1.66 O ATOM 0 H ASP A 11 12.179 -8.832 1.672 1.00 0.37 H new ATOM 0 HA ASP A 11 11.180 -8.527 -0.982 1.00 0.37 H new ATOM 0 HB2 ASP A 11 9.745 -8.782 1.678 1.00 0.40 H new ATOM 0 HB3 ASP A 11 9.078 -9.111 0.092 1.00 0.40 H new ATOM 163 N ILE A 12 10.729 -6.007 1.130 1.00 0.36 N ATOM 164 CA ILE A 12 10.504 -4.549 1.183 1.00 0.39 C ATOM 165 C ILE A 12 11.329 -3.792 0.136 1.00 0.36 C ATOM 166 O ILE A 12 10.798 -2.896 -0.523 1.00 0.38 O ATOM 167 CB ILE A 12 10.689 -4.001 2.622 1.00 0.48 C ATOM 168 CG1 ILE A 12 9.334 -3.668 3.271 1.00 0.61 C ATOM 169 CG2 ILE A 12 11.532 -2.731 2.724 1.00 0.65 C ATOM 170 CD1 ILE A 12 8.723 -4.920 3.868 1.00 0.61 C ATOM 0 H ILE A 12 11.038 -6.399 2.020 1.00 0.36 H new ATOM 0 HA ILE A 12 9.463 -4.368 0.914 1.00 0.39 H new ATOM 0 HB ILE A 12 11.211 -4.810 3.134 1.00 0.48 H new ATOM 0 HG12 ILE A 12 9.469 -2.914 4.046 1.00 0.61 H new ATOM 0 HG13 ILE A 12 8.660 -3.244 2.527 1.00 0.61 H new ATOM 0 HG21 ILE A 12 11.604 -2.425 3.768 1.00 0.65 H new ATOM 0 HG22 ILE A 12 12.531 -2.925 2.333 1.00 0.65 H new ATOM 0 HG23 ILE A 12 11.063 -1.936 2.145 1.00 0.65 H new ATOM 0 HD11 ILE A 12 7.764 -4.675 4.325 1.00 0.61 H new ATOM 0 HD12 ILE A 12 8.572 -5.661 3.083 1.00 0.61 H new ATOM 0 HD13 ILE A 12 9.393 -5.326 4.626 1.00 0.61 H new ATOM 182 N LYS A 13 12.601 -4.165 -0.066 1.00 0.36 N ATOM 183 CA LYS A 13 13.437 -3.627 -1.144 1.00 0.37 C ATOM 184 C LYS A 13 12.749 -3.799 -2.509 1.00 0.33 C ATOM 185 O LYS A 13 12.682 -2.844 -3.292 1.00 0.39 O ATOM 186 CB LYS A 13 14.867 -4.206 -1.023 1.00 0.49 C ATOM 187 CG LYS A 13 15.565 -4.600 -2.334 1.00 1.36 C ATOM 188 CD LYS A 13 15.822 -3.414 -3.281 1.00 2.08 C ATOM 189 CE LYS A 13 15.318 -3.709 -4.705 1.00 3.50 C ATOM 190 NZ LYS A 13 14.567 -2.557 -5.255 1.00 4.82 N ATOM 0 H LYS A 13 13.079 -4.852 0.518 1.00 0.36 H new ATOM 0 HA LYS A 13 13.555 -2.547 -1.050 1.00 0.37 H new ATOM 0 HB2 LYS A 13 15.490 -3.471 -0.514 1.00 0.49 H new ATOM 0 HB3 LYS A 13 14.824 -5.087 -0.382 1.00 0.49 H new ATOM 0 HG2 LYS A 13 16.516 -5.078 -2.099 1.00 1.36 H new ATOM 0 HG3 LYS A 13 14.955 -5.341 -2.851 1.00 1.36 H new ATOM 0 HD2 LYS A 13 15.324 -2.524 -2.895 1.00 2.08 H new ATOM 0 HD3 LYS A 13 16.889 -3.195 -3.310 1.00 2.08 H new ATOM 0 HE2 LYS A 13 16.164 -3.938 -5.353 1.00 3.50 H new ATOM 0 HE3 LYS A 13 14.678 -4.591 -4.692 1.00 3.50 H new ATOM 0 HZ1 LYS A 13 14.297 -2.756 -6.239 1.00 4.82 H new ATOM 0 HZ2 LYS A 13 13.711 -2.398 -4.687 1.00 4.82 H new ATOM 0 HZ3 LYS A 13 15.165 -1.707 -5.225 1.00 4.82 H new ATOM 204 N LYS A 14 12.230 -4.996 -2.807 1.00 0.33 N ATOM 205 CA LYS A 14 11.479 -5.276 -4.043 1.00 0.43 C ATOM 206 C LYS A 14 10.135 -4.542 -4.089 1.00 0.45 C ATOM 207 O LYS A 14 9.771 -4.043 -5.149 1.00 0.52 O ATOM 208 CB LYS A 14 11.325 -6.794 -4.228 1.00 0.54 C ATOM 209 CG LYS A 14 12.675 -7.450 -4.565 1.00 0.70 C ATOM 210 CD LYS A 14 12.581 -8.980 -4.527 1.00 1.44 C ATOM 211 CE LYS A 14 13.931 -9.625 -4.869 1.00 1.97 C ATOM 212 NZ LYS A 14 14.150 -9.723 -6.334 1.00 2.70 N ATOM 0 H LYS A 14 12.319 -5.806 -2.194 1.00 0.33 H new ATOM 0 HA LYS A 14 12.051 -4.886 -4.885 1.00 0.43 H new ATOM 0 HB2 LYS A 14 10.920 -7.235 -3.317 1.00 0.54 H new ATOM 0 HB3 LYS A 14 10.610 -6.996 -5.025 1.00 0.54 H new ATOM 0 HG2 LYS A 14 13.000 -7.129 -5.555 1.00 0.70 H new ATOM 0 HG3 LYS A 14 13.431 -7.113 -3.856 1.00 0.70 H new ATOM 0 HD2 LYS A 14 12.260 -9.303 -3.537 1.00 1.44 H new ATOM 0 HD3 LYS A 14 11.823 -9.319 -5.234 1.00 1.44 H new ATOM 0 HE2 LYS A 14 14.735 -9.041 -4.421 1.00 1.97 H new ATOM 0 HE3 LYS A 14 13.978 -10.621 -4.429 1.00 1.97 H new ATOM 0 HZ1 LYS A 14 15.073 -10.164 -6.518 1.00 2.70 H new ATOM 0 HZ2 LYS A 14 13.398 -10.302 -6.759 1.00 2.70 H new ATOM 0 HZ3 LYS A 14 14.132 -8.771 -6.752 1.00 2.70 H new ATOM 226 N ALA A 15 9.453 -4.393 -2.952 1.00 0.44 N ATOM 227 CA ALA A 15 8.217 -3.632 -2.806 1.00 0.55 C ATOM 228 C ALA A 15 8.399 -2.158 -3.181 1.00 0.49 C ATOM 229 O ALA A 15 7.780 -1.678 -4.129 1.00 0.51 O ATOM 230 CB ALA A 15 7.724 -3.766 -1.363 1.00 0.65 C ATOM 0 H ALA A 15 9.760 -4.816 -2.076 1.00 0.44 H new ATOM 0 HA ALA A 15 7.476 -4.038 -3.494 1.00 0.55 H new ATOM 0 HB1 ALA A 15 6.800 -3.201 -1.240 1.00 0.65 H new ATOM 0 HB2 ALA A 15 7.540 -4.816 -1.137 1.00 0.65 H new ATOM 0 HB3 ALA A 15 8.481 -3.376 -0.682 1.00 0.65 H new ATOM 236 N VAL A 16 9.269 -1.436 -2.462 1.00 0.43 N ATOM 237 CA VAL A 16 9.533 -0.014 -2.721 1.00 0.44 C ATOM 238 C VAL A 16 10.040 0.186 -4.154 1.00 0.42 C ATOM 239 O VAL A 16 9.709 1.188 -4.784 1.00 0.62 O ATOM 240 CB VAL A 16 10.489 0.574 -1.661 1.00 0.43 C ATOM 241 CG1 VAL A 16 10.760 2.067 -1.882 1.00 0.66 C ATOM 242 CG2 VAL A 16 9.896 0.444 -0.250 1.00 0.73 C ATOM 0 H VAL A 16 9.808 -1.820 -1.686 1.00 0.43 H new ATOM 0 HA VAL A 16 8.598 0.540 -2.634 1.00 0.44 H new ATOM 0 HB VAL A 16 11.414 0.006 -1.759 1.00 0.43 H new ATOM 0 HG11 VAL A 16 11.438 2.432 -1.110 1.00 0.66 H new ATOM 0 HG12 VAL A 16 11.214 2.213 -2.862 1.00 0.66 H new ATOM 0 HG13 VAL A 16 9.821 2.619 -1.831 1.00 0.66 H new ATOM 0 HG21 VAL A 16 10.590 0.866 0.477 1.00 0.73 H new ATOM 0 HG22 VAL A 16 8.949 0.982 -0.202 1.00 0.73 H new ATOM 0 HG23 VAL A 16 9.727 -0.608 -0.022 1.00 0.73 H new ATOM 252 N GLY A 17 10.741 -0.807 -4.718 1.00 0.27 N ATOM 253 CA GLY A 17 11.180 -0.824 -6.113 1.00 0.28 C ATOM 254 C GLY A 17 10.093 -1.117 -7.158 1.00 0.31 C ATOM 255 O GLY A 17 10.390 -0.992 -8.341 1.00 0.52 O ATOM 0 H GLY A 17 11.024 -1.640 -4.201 1.00 0.27 H new ATOM 0 HA2 GLY A 17 11.627 0.143 -6.344 1.00 0.28 H new ATOM 0 HA3 GLY A 17 11.966 -1.572 -6.217 1.00 0.28 H new ATOM 259 N ALA A 18 8.868 -1.502 -6.768 1.00 0.38 N ATOM 260 CA ALA A 18 7.762 -1.770 -7.694 1.00 0.38 C ATOM 261 C ALA A 18 7.012 -0.475 -8.060 1.00 0.44 C ATOM 262 O ALA A 18 7.012 -0.065 -9.218 1.00 0.89 O ATOM 263 CB ALA A 18 6.840 -2.833 -7.078 1.00 0.56 C ATOM 0 H ALA A 18 8.617 -1.637 -5.789 1.00 0.38 H new ATOM 0 HA ALA A 18 8.155 -2.161 -8.632 1.00 0.38 H new ATOM 0 HB1 ALA A 18 6.015 -3.038 -7.760 1.00 0.56 H new ATOM 0 HB2 ALA A 18 7.405 -3.749 -6.906 1.00 0.56 H new ATOM 0 HB3 ALA A 18 6.445 -2.467 -6.130 1.00 0.56 H new ATOM 269 N PHE A 19 6.426 0.206 -7.065 1.00 0.43 N ATOM 270 CA PHE A 19 5.741 1.502 -7.221 1.00 0.50 C ATOM 271 C PHE A 19 6.709 2.679 -7.497 1.00 0.52 C ATOM 272 O PHE A 19 6.234 3.778 -7.772 1.00 0.63 O ATOM 273 CB PHE A 19 4.979 1.820 -5.925 1.00 0.55 C ATOM 274 CG PHE A 19 3.778 0.972 -5.550 1.00 0.57 C ATOM 275 CD1 PHE A 19 3.262 -0.013 -6.413 1.00 1.71 C ATOM 276 CD2 PHE A 19 3.131 1.221 -4.321 1.00 1.60 C ATOM 277 CE1 PHE A 19 2.116 -0.727 -6.044 1.00 1.75 C ATOM 278 CE2 PHE A 19 1.996 0.487 -3.944 1.00 1.58 C ATOM 279 CZ PHE A 19 1.489 -0.493 -4.811 1.00 0.65 C ATOM 0 H PHE A 19 6.414 -0.136 -6.104 1.00 0.43 H new ATOM 0 HA PHE A 19 5.079 1.404 -8.081 1.00 0.50 H new ATOM 0 HB2 PHE A 19 5.692 1.763 -5.102 1.00 0.55 H new ATOM 0 HB3 PHE A 19 4.644 2.856 -5.986 1.00 0.55 H new ATOM 0 HD1 PHE A 19 3.748 -0.217 -7.356 1.00 1.71 H new ATOM 0 HD2 PHE A 19 3.514 1.986 -3.662 1.00 1.60 H new ATOM 0 HE1 PHE A 19 1.709 -1.467 -6.717 1.00 1.75 H new ATOM 0 HE2 PHE A 19 1.517 0.675 -2.995 1.00 1.58 H new ATOM 0 HZ PHE A 19 0.618 -1.066 -4.530 1.00 0.65 H new ATOM 289 N SER A 20 8.041 2.500 -7.406 1.00 0.49 N ATOM 290 CA SER A 20 9.052 3.540 -7.692 1.00 0.57 C ATOM 291 C SER A 20 9.098 3.918 -9.182 1.00 0.56 C ATOM 292 O SER A 20 10.051 3.617 -9.900 1.00 0.70 O ATOM 293 CB SER A 20 10.448 3.130 -7.202 1.00 0.69 C ATOM 294 OG SER A 20 10.540 3.291 -5.805 1.00 1.75 O ATOM 0 H SER A 20 8.454 1.610 -7.126 1.00 0.49 H new ATOM 0 HA SER A 20 8.741 4.424 -7.136 1.00 0.57 H new ATOM 0 HB2 SER A 20 10.645 2.092 -7.470 1.00 0.69 H new ATOM 0 HB3 SER A 20 11.207 3.736 -7.696 1.00 0.69 H new ATOM 0 HG SER A 20 9.878 2.718 -5.365 1.00 1.75 H new ATOM 300 N ALA A 21 8.039 4.585 -9.634 1.00 0.56 N ATOM 301 CA ALA A 21 7.749 4.996 -10.999 1.00 0.66 C ATOM 302 C ALA A 21 6.725 6.153 -10.981 1.00 0.74 C ATOM 303 O ALA A 21 6.560 6.826 -9.963 1.00 1.36 O ATOM 304 CB ALA A 21 7.241 3.755 -11.747 1.00 0.68 C ATOM 0 H ALA A 21 7.299 4.876 -8.995 1.00 0.56 H new ATOM 0 HA ALA A 21 8.632 5.376 -11.513 1.00 0.66 H new ATOM 0 HB1 ALA A 21 7.011 4.021 -12.779 1.00 0.68 H new ATOM 0 HB2 ALA A 21 8.010 2.982 -11.734 1.00 0.68 H new ATOM 0 HB3 ALA A 21 6.341 3.380 -11.260 1.00 0.68 H new ATOM 310 N THR A 22 6.064 6.421 -12.114 1.00 0.82 N ATOM 311 CA THR A 22 5.064 7.490 -12.269 1.00 0.91 C ATOM 312 C THR A 22 3.861 6.989 -13.071 1.00 1.59 C ATOM 313 O THR A 22 4.004 6.691 -14.257 1.00 3.39 O ATOM 314 CB THR A 22 5.664 8.725 -12.963 1.00 0.69 C ATOM 315 OG1 THR A 22 6.145 8.365 -14.239 1.00 1.04 O ATOM 316 CG2 THR A 22 6.799 9.368 -12.163 1.00 0.94 C ATOM 0 H THR A 22 6.212 5.888 -12.971 1.00 0.82 H new ATOM 0 HA THR A 22 4.739 7.778 -11.269 1.00 0.91 H new ATOM 0 HB THR A 22 4.864 9.461 -13.043 1.00 0.69 H new ATOM 0 HG1 THR A 22 5.550 7.695 -14.636 1.00 1.04 H new ATOM 0 HG21 THR A 22 7.181 10.234 -12.704 1.00 0.94 H new ATOM 0 HG22 THR A 22 6.424 9.685 -11.190 1.00 0.94 H new ATOM 0 HG23 THR A 22 7.602 8.644 -12.024 1.00 0.94 H new ATOM 324 N ASP A 23 2.706 6.864 -12.411 1.00 0.69 N ATOM 325 CA ASP A 23 1.428 6.299 -12.875 1.00 0.77 C ATOM 326 C ASP A 23 1.437 4.755 -12.955 1.00 0.66 C ATOM 327 O ASP A 23 0.414 4.138 -13.248 1.00 0.86 O ATOM 328 CB ASP A 23 0.871 6.914 -14.182 1.00 0.93 C ATOM 329 CG ASP A 23 1.258 8.345 -14.580 1.00 1.78 C ATOM 330 OD1 ASP A 23 1.369 9.222 -13.688 1.00 2.67 O ATOM 331 OD2 ASP A 23 1.278 8.597 -15.807 1.00 2.95 O ATOM 0 H ASP A 23 2.631 7.186 -11.446 1.00 0.69 H new ATOM 0 HA ASP A 23 0.732 6.593 -12.089 1.00 0.77 H new ATOM 0 HB2 ASP A 23 1.166 6.258 -15.001 1.00 0.93 H new ATOM 0 HB3 ASP A 23 -0.217 6.877 -14.120 1.00 0.93 H new ATOM 336 N SER A 24 2.576 4.111 -12.675 1.00 0.57 N ATOM 337 CA SER A 24 2.885 2.718 -13.040 1.00 0.60 C ATOM 338 C SER A 24 2.457 1.687 -11.975 1.00 0.73 C ATOM 339 O SER A 24 3.139 0.692 -11.738 1.00 1.33 O ATOM 340 CB SER A 24 4.379 2.621 -13.372 1.00 0.72 C ATOM 341 OG SER A 24 4.587 1.753 -14.466 1.00 1.18 O ATOM 0 H SER A 24 3.339 4.561 -12.169 1.00 0.57 H new ATOM 0 HA SER A 24 2.293 2.457 -13.917 1.00 0.60 H new ATOM 0 HB2 SER A 24 4.771 3.611 -13.606 1.00 0.72 H new ATOM 0 HB3 SER A 24 4.928 2.258 -12.503 1.00 0.72 H new ATOM 0 HG SER A 24 5.545 1.703 -14.666 1.00 1.18 H new ATOM 347 N PHE A 25 1.345 1.951 -11.286 1.00 0.72 N ATOM 348 CA PHE A 25 0.941 1.249 -10.065 1.00 0.73 C ATOM 349 C PHE A 25 0.589 -0.232 -10.293 1.00 0.98 C ATOM 350 O PHE A 25 -0.269 -0.555 -11.118 1.00 2.03 O ATOM 351 CB PHE A 25 -0.318 1.932 -9.513 1.00 0.78 C ATOM 352 CG PHE A 25 -0.586 1.663 -8.051 1.00 0.88 C ATOM 353 CD1 PHE A 25 0.254 2.244 -7.087 1.00 1.81 C ATOM 354 CD2 PHE A 25 -1.691 0.889 -7.650 1.00 1.79 C ATOM 355 CE1 PHE A 25 -0.001 2.042 -5.724 1.00 2.05 C ATOM 356 CE2 PHE A 25 -1.935 0.677 -6.281 1.00 1.79 C ATOM 357 CZ PHE A 25 -1.065 1.219 -5.318 1.00 1.31 C ATOM 0 H PHE A 25 0.685 2.676 -11.568 1.00 0.72 H new ATOM 0 HA PHE A 25 1.790 1.291 -9.382 1.00 0.73 H new ATOM 0 HB2 PHE A 25 -0.227 3.008 -9.661 1.00 0.78 H new ATOM 0 HB3 PHE A 25 -1.179 1.602 -10.094 1.00 0.78 H new ATOM 0 HD1 PHE A 25 1.096 2.846 -7.396 1.00 1.81 H new ATOM 0 HD2 PHE A 25 -2.349 0.459 -8.391 1.00 1.79 H new ATOM 0 HE1 PHE A 25 0.622 2.520 -4.983 1.00 2.05 H new ATOM 0 HE2 PHE A 25 -2.791 0.097 -5.969 1.00 1.79 H new ATOM 0 HZ PHE A 25 -1.214 1.003 -4.270 1.00 1.31 H new ATOM 367 N ASP A 26 1.154 -1.139 -9.491 1.00 0.59 N ATOM 368 CA ASP A 26 0.896 -2.575 -9.591 1.00 0.68 C ATOM 369 C ASP A 26 0.719 -3.257 -8.222 1.00 0.56 C ATOM 370 O ASP A 26 1.475 -4.159 -7.868 1.00 0.58 O ATOM 371 CB ASP A 26 1.981 -3.221 -10.470 1.00 0.94 C ATOM 372 CG ASP A 26 3.430 -2.993 -10.007 1.00 2.15 C ATOM 373 OD1 ASP A 26 3.650 -2.390 -8.931 1.00 3.85 O ATOM 374 OD2 ASP A 26 4.314 -3.480 -10.751 1.00 3.07 O ATOM 0 H ASP A 26 1.809 -0.893 -8.748 1.00 0.59 H new ATOM 0 HA ASP A 26 -0.068 -2.725 -10.077 1.00 0.68 H new ATOM 0 HB2 ASP A 26 1.797 -4.294 -10.514 1.00 0.94 H new ATOM 0 HB3 ASP A 26 1.878 -2.838 -11.485 1.00 0.94 H new ATOM 379 N HIS A 27 -0.331 -2.884 -7.464 1.00 0.59 N ATOM 380 CA HIS A 27 -0.611 -3.407 -6.108 1.00 0.56 C ATOM 381 C HIS A 27 -0.493 -4.935 -5.979 1.00 0.48 C ATOM 382 O HIS A 27 -0.002 -5.442 -4.973 1.00 0.48 O ATOM 383 CB HIS A 27 -1.973 -2.906 -5.594 1.00 0.69 C ATOM 384 CG HIS A 27 -3.189 -3.266 -6.429 1.00 1.52 C ATOM 385 ND1 HIS A 27 -3.801 -4.499 -6.486 1.00 2.70 N ATOM 386 CD2 HIS A 27 -3.939 -2.412 -7.196 1.00 2.51 C ATOM 387 CE1 HIS A 27 -4.893 -4.394 -7.259 1.00 3.42 C ATOM 388 NE2 HIS A 27 -4.994 -3.148 -7.750 1.00 3.30 N ATOM 0 H HIS A 27 -1.020 -2.201 -7.779 1.00 0.59 H new ATOM 0 HA HIS A 27 0.178 -3.006 -5.472 1.00 0.56 H new ATOM 0 HB2 HIS A 27 -2.123 -3.298 -4.588 1.00 0.69 H new ATOM 0 HB3 HIS A 27 -1.927 -1.820 -5.510 1.00 0.69 H new ATOM 0 HD2 HIS A 27 -3.750 -1.359 -7.346 1.00 2.51 H new ATOM 0 HE1 HIS A 27 -5.590 -5.195 -7.457 1.00 3.42 H new ATOM 0 HE2 HIS A 27 -5.701 -2.805 -8.400 1.00 3.30 H new ATOM 396 N LYS A 28 -0.886 -5.644 -7.043 1.00 0.49 N ATOM 397 CA LYS A 28 -0.686 -7.069 -7.311 1.00 0.56 C ATOM 398 C LYS A 28 0.784 -7.464 -7.085 1.00 0.45 C ATOM 399 O LYS A 28 1.103 -8.195 -6.152 1.00 0.56 O ATOM 400 CB LYS A 28 -1.148 -7.414 -8.755 1.00 0.84 C ATOM 401 CG LYS A 28 -2.273 -6.539 -9.355 1.00 1.11 C ATOM 402 CD LYS A 28 -1.775 -5.289 -10.116 1.00 2.02 C ATOM 403 CE LYS A 28 -2.630 -4.034 -9.873 1.00 2.94 C ATOM 404 NZ LYS A 28 -4.026 -4.157 -10.355 1.00 3.57 N ATOM 0 H LYS A 28 -1.396 -5.195 -7.803 1.00 0.49 H new ATOM 0 HA LYS A 28 -1.294 -7.646 -6.613 1.00 0.56 H new ATOM 0 HB2 LYS A 28 -0.281 -7.351 -9.413 1.00 0.84 H new ATOM 0 HB3 LYS A 28 -1.482 -8.451 -8.766 1.00 0.84 H new ATOM 0 HG2 LYS A 28 -2.868 -7.150 -10.034 1.00 1.11 H new ATOM 0 HG3 LYS A 28 -2.936 -6.219 -8.551 1.00 1.11 H new ATOM 0 HD2 LYS A 28 -0.747 -5.080 -9.820 1.00 2.02 H new ATOM 0 HD3 LYS A 28 -1.761 -5.507 -11.184 1.00 2.02 H new ATOM 0 HE2 LYS A 28 -2.642 -3.816 -8.805 1.00 2.94 H new ATOM 0 HE3 LYS A 28 -2.159 -3.184 -10.367 1.00 2.94 H new ATOM 0 HZ1 LYS A 28 -4.672 -3.730 -9.661 1.00 3.57 H new ATOM 0 HZ2 LYS A 28 -4.123 -3.665 -11.266 1.00 3.57 H new ATOM 0 HZ3 LYS A 28 -4.264 -5.162 -10.477 1.00 3.57 H new ATOM 418 N LYS A 29 1.687 -6.948 -7.927 1.00 0.45 N ATOM 419 CA LYS A 29 3.127 -7.203 -7.868 1.00 0.47 C ATOM 420 C LYS A 29 3.712 -6.671 -6.571 1.00 0.42 C ATOM 421 O LYS A 29 4.447 -7.410 -5.943 1.00 0.53 O ATOM 422 CB LYS A 29 3.843 -6.600 -9.082 1.00 0.63 C ATOM 423 CG LYS A 29 3.714 -7.505 -10.318 1.00 0.84 C ATOM 424 CD LYS A 29 3.995 -6.751 -11.624 1.00 1.49 C ATOM 425 CE LYS A 29 5.439 -6.238 -11.721 1.00 2.13 C ATOM 426 NZ LYS A 29 5.508 -5.005 -12.538 1.00 3.35 N ATOM 0 H LYS A 29 1.426 -6.323 -8.690 1.00 0.45 H new ATOM 0 HA LYS A 29 3.282 -8.282 -7.893 1.00 0.47 H new ATOM 0 HB2 LYS A 29 3.423 -5.619 -9.303 1.00 0.63 H new ATOM 0 HB3 LYS A 29 4.897 -6.451 -8.847 1.00 0.63 H new ATOM 0 HG2 LYS A 29 4.408 -8.341 -10.227 1.00 0.84 H new ATOM 0 HG3 LYS A 29 2.709 -7.927 -10.353 1.00 0.84 H new ATOM 0 HD2 LYS A 29 3.792 -7.410 -12.468 1.00 1.49 H new ATOM 0 HD3 LYS A 29 3.309 -5.908 -11.705 1.00 1.49 H new ATOM 0 HE2 LYS A 29 5.826 -6.039 -10.722 1.00 2.13 H new ATOM 0 HE3 LYS A 29 6.074 -7.007 -12.162 1.00 2.13 H new ATOM 0 HZ1 LYS A 29 6.498 -4.809 -12.788 1.00 3.35 H new ATOM 0 HZ2 LYS A 29 4.950 -5.132 -13.406 1.00 3.35 H new ATOM 0 HZ3 LYS A 29 5.124 -4.206 -11.994 1.00 3.35 H new ATOM 440 N PHE A 30 3.353 -5.467 -6.125 1.00 0.39 N ATOM 441 CA PHE A 30 3.795 -4.905 -4.844 1.00 0.48 C ATOM 442 C PHE A 30 3.565 -5.862 -3.664 1.00 0.53 C ATOM 443 O PHE A 30 4.521 -6.204 -2.969 1.00 0.72 O ATOM 444 CB PHE A 30 3.071 -3.575 -4.657 1.00 0.54 C ATOM 445 CG PHE A 30 3.439 -2.760 -3.437 1.00 0.79 C ATOM 446 CD1 PHE A 30 4.746 -2.270 -3.294 1.00 1.63 C ATOM 447 CD2 PHE A 30 2.446 -2.368 -2.518 1.00 2.12 C ATOM 448 CE1 PHE A 30 5.060 -1.375 -2.258 1.00 1.82 C ATOM 449 CE2 PHE A 30 2.752 -1.456 -1.499 1.00 2.42 C ATOM 450 CZ PHE A 30 4.057 -0.955 -1.372 1.00 1.65 C ATOM 0 H PHE A 30 2.738 -4.844 -6.649 1.00 0.39 H new ATOM 0 HA PHE A 30 4.874 -4.749 -4.864 1.00 0.48 H new ATOM 0 HB2 PHE A 30 3.252 -2.963 -5.541 1.00 0.54 H new ATOM 0 HB3 PHE A 30 2.000 -3.774 -4.621 1.00 0.54 H new ATOM 0 HD1 PHE A 30 5.515 -2.583 -3.985 1.00 1.63 H new ATOM 0 HD2 PHE A 30 1.447 -2.771 -2.599 1.00 2.12 H new ATOM 0 HE1 PHE A 30 6.071 -1.011 -2.144 1.00 1.82 H new ATOM 0 HE2 PHE A 30 1.983 -1.138 -0.811 1.00 2.42 H new ATOM 0 HZ PHE A 30 4.289 -0.246 -0.591 1.00 1.65 H new ATOM 460 N PHE A 31 2.328 -6.341 -3.462 1.00 0.40 N ATOM 461 CA PHE A 31 2.031 -7.297 -2.391 1.00 0.42 C ATOM 462 C PHE A 31 2.702 -8.656 -2.609 1.00 0.45 C ATOM 463 O PHE A 31 3.145 -9.268 -1.641 1.00 0.67 O ATOM 464 CB PHE A 31 0.527 -7.498 -2.209 1.00 0.46 C ATOM 465 CG PHE A 31 -0.157 -6.505 -1.286 1.00 0.54 C ATOM 466 CD1 PHE A 31 0.033 -5.119 -1.449 1.00 2.13 C ATOM 467 CD2 PHE A 31 -1.076 -6.967 -0.323 1.00 1.84 C ATOM 468 CE1 PHE A 31 -0.702 -4.207 -0.673 1.00 2.29 C ATOM 469 CE2 PHE A 31 -1.822 -6.063 0.441 1.00 1.82 C ATOM 470 CZ PHE A 31 -1.637 -4.688 0.259 1.00 0.94 C ATOM 0 H PHE A 31 1.520 -6.081 -4.027 1.00 0.40 H new ATOM 0 HA PHE A 31 2.444 -6.856 -1.484 1.00 0.42 H new ATOM 0 HB2 PHE A 31 0.050 -7.446 -3.188 1.00 0.46 H new ATOM 0 HB3 PHE A 31 0.356 -8.503 -1.824 1.00 0.46 H new ATOM 0 HD1 PHE A 31 0.747 -4.756 -2.174 1.00 2.13 H new ATOM 0 HD2 PHE A 31 -1.206 -8.029 -0.173 1.00 1.84 H new ATOM 0 HE1 PHE A 31 -0.549 -3.144 -0.792 1.00 2.29 H new ATOM 0 HE2 PHE A 31 -2.536 -6.424 1.166 1.00 1.82 H new ATOM 0 HZ PHE A 31 -2.219 -3.989 0.841 1.00 0.94 H new ATOM 480 N GLN A 32 2.799 -9.136 -3.851 1.00 0.35 N ATOM 481 CA GLN A 32 3.467 -10.404 -4.142 1.00 0.36 C ATOM 482 C GLN A 32 4.992 -10.300 -3.913 1.00 0.33 C ATOM 483 O GLN A 32 5.592 -11.216 -3.357 1.00 0.32 O ATOM 484 CB GLN A 32 3.101 -10.855 -5.570 1.00 0.40 C ATOM 485 CG GLN A 32 1.777 -11.647 -5.673 1.00 0.52 C ATOM 486 CD GLN A 32 0.481 -10.910 -5.304 1.00 2.28 C ATOM 487 OE1 GLN A 32 0.267 -10.492 -4.176 1.00 4.45 O ATOM 488 NE2 GLN A 32 -0.495 -10.852 -6.202 1.00 1.88 N ATOM 0 H GLN A 32 2.422 -8.663 -4.672 1.00 0.35 H new ATOM 0 HA GLN A 32 3.118 -11.171 -3.450 1.00 0.36 H new ATOM 0 HB2 GLN A 32 3.034 -9.975 -6.209 1.00 0.40 H new ATOM 0 HB3 GLN A 32 3.910 -11.472 -5.961 1.00 0.40 H new ATOM 0 HG2 GLN A 32 1.679 -12.008 -6.697 1.00 0.52 H new ATOM 0 HG3 GLN A 32 1.859 -12.525 -5.032 1.00 0.52 H new ATOM 0 HE21 GLN A 32 -0.337 -11.196 -7.149 1.00 1.88 H new ATOM 0 HE22 GLN A 32 -1.402 -10.464 -5.945 1.00 1.88 H new ATOM 497 N MET A 33 5.601 -9.165 -4.271 1.00 0.49 N ATOM 498 CA MET A 33 7.031 -8.833 -4.158 1.00 0.53 C ATOM 499 C MET A 33 7.469 -8.542 -2.721 1.00 0.57 C ATOM 500 O MET A 33 8.555 -8.971 -2.347 1.00 0.67 O ATOM 501 CB MET A 33 7.374 -7.610 -5.027 1.00 0.57 C ATOM 502 CG MET A 33 7.329 -7.916 -6.532 1.00 0.73 C ATOM 503 SD MET A 33 8.939 -8.198 -7.319 1.00 1.57 S ATOM 504 CE MET A 33 9.349 -6.487 -7.761 1.00 2.13 C ATOM 0 H MET A 33 5.070 -8.395 -4.678 1.00 0.49 H new ATOM 0 HA MET A 33 7.568 -9.716 -4.504 1.00 0.53 H new ATOM 0 HB2 MET A 33 6.675 -6.804 -4.804 1.00 0.57 H new ATOM 0 HB3 MET A 33 8.369 -7.251 -4.764 1.00 0.57 H new ATOM 0 HG2 MET A 33 6.708 -8.799 -6.687 1.00 0.73 H new ATOM 0 HG3 MET A 33 6.836 -7.087 -7.039 1.00 0.73 H new ATOM 0 HE1 MET A 33 10.379 -6.439 -8.114 1.00 2.13 H new ATOM 0 HE2 MET A 33 8.679 -6.145 -8.550 1.00 2.13 H new ATOM 0 HE3 MET A 33 9.235 -5.848 -6.885 1.00 2.13 H new ATOM 514 N VAL A 34 6.645 -7.849 -1.916 1.00 0.53 N ATOM 515 CA VAL A 34 6.851 -7.708 -0.465 1.00 0.47 C ATOM 516 C VAL A 34 6.441 -8.996 0.287 1.00 0.40 C ATOM 517 O VAL A 34 6.621 -9.099 1.496 1.00 0.41 O ATOM 518 CB VAL A 34 6.067 -6.486 0.051 1.00 0.55 C ATOM 519 CG1 VAL A 34 4.603 -6.768 0.325 1.00 0.67 C ATOM 520 CG2 VAL A 34 6.696 -5.881 1.305 1.00 0.53 C ATOM 0 H VAL A 34 5.812 -7.368 -2.257 1.00 0.53 H new ATOM 0 HA VAL A 34 7.913 -7.551 -0.274 1.00 0.47 H new ATOM 0 HB VAL A 34 6.123 -5.769 -0.768 1.00 0.55 H new ATOM 0 HG11 VAL A 34 4.119 -5.860 0.685 1.00 0.67 H new ATOM 0 HG12 VAL A 34 4.118 -7.098 -0.594 1.00 0.67 H new ATOM 0 HG13 VAL A 34 4.518 -7.549 1.081 1.00 0.67 H new ATOM 0 HG21 VAL A 34 6.107 -5.023 1.630 1.00 0.53 H new ATOM 0 HG22 VAL A 34 6.717 -6.628 2.098 1.00 0.53 H new ATOM 0 HG23 VAL A 34 7.714 -5.560 1.083 1.00 0.53 H new ATOM 530 N GLY A 35 5.835 -9.970 -0.409 1.00 0.38 N ATOM 531 CA GLY A 35 5.283 -11.194 0.165 1.00 0.37 C ATOM 532 C GLY A 35 4.169 -10.950 1.189 1.00 0.35 C ATOM 533 O GLY A 35 4.011 -11.731 2.120 1.00 0.48 O ATOM 0 H GLY A 35 5.715 -9.920 -1.421 1.00 0.38 H new ATOM 0 HA2 GLY A 35 4.894 -11.818 -0.640 1.00 0.37 H new ATOM 0 HA3 GLY A 35 6.086 -11.755 0.643 1.00 0.37 H new ATOM 537 N LEU A 36 3.374 -9.892 1.022 1.00 0.30 N ATOM 538 CA LEU A 36 2.305 -9.476 1.929 1.00 0.32 C ATOM 539 C LEU A 36 1.268 -10.582 2.121 1.00 0.32 C ATOM 540 O LEU A 36 1.086 -11.096 3.217 1.00 0.36 O ATOM 541 CB LEU A 36 1.663 -8.190 1.381 1.00 0.33 C ATOM 542 CG LEU A 36 1.540 -7.135 2.478 1.00 0.80 C ATOM 543 CD1 LEU A 36 1.352 -5.726 1.914 1.00 0.70 C ATOM 544 CD2 LEU A 36 0.391 -7.548 3.404 1.00 1.40 C ATOM 0 H LEU A 36 3.462 -9.275 0.215 1.00 0.30 H new ATOM 0 HA LEU A 36 2.727 -9.277 2.914 1.00 0.32 H new ATOM 0 HB2 LEU A 36 2.264 -7.799 0.560 1.00 0.33 H new ATOM 0 HB3 LEU A 36 0.677 -8.415 0.975 1.00 0.33 H new ATOM 0 HG LEU A 36 2.470 -7.089 3.045 1.00 0.80 H new ATOM 0 HD11 LEU A 36 1.270 -5.014 2.735 1.00 0.70 H new ATOM 0 HD12 LEU A 36 2.208 -5.466 1.292 1.00 0.70 H new ATOM 0 HD13 LEU A 36 0.443 -5.693 1.313 1.00 0.70 H new ATOM 0 HD21 LEU A 36 0.281 -6.810 4.199 1.00 1.40 H new ATOM 0 HD22 LEU A 36 -0.535 -7.606 2.832 1.00 1.40 H new ATOM 0 HD23 LEU A 36 0.608 -8.522 3.841 1.00 1.40 H new ATOM 556 N LYS A 37 0.665 -11.001 1.008 1.00 0.32 N ATOM 557 CA LYS A 37 -0.163 -12.211 0.861 1.00 0.39 C ATOM 558 C LYS A 37 0.477 -13.510 1.387 1.00 0.41 C ATOM 559 O LYS A 37 -0.258 -14.453 1.661 1.00 0.49 O ATOM 560 CB LYS A 37 -0.517 -12.425 -0.618 1.00 0.52 C ATOM 561 CG LYS A 37 -1.749 -11.628 -1.061 1.00 0.58 C ATOM 562 CD LYS A 37 -2.500 -12.361 -2.179 1.00 0.78 C ATOM 563 CE LYS A 37 -1.673 -12.463 -3.460 1.00 0.65 C ATOM 564 NZ LYS A 37 -2.161 -13.529 -4.364 1.00 1.18 N ATOM 0 H LYS A 37 0.742 -10.481 0.134 1.00 0.32 H new ATOM 0 HA LYS A 37 -1.043 -12.021 1.476 1.00 0.39 H new ATOM 0 HB2 LYS A 37 0.335 -12.139 -1.235 1.00 0.52 H new ATOM 0 HB3 LYS A 37 -0.695 -13.486 -0.793 1.00 0.52 H new ATOM 0 HG2 LYS A 37 -2.413 -11.475 -0.211 1.00 0.58 H new ATOM 0 HG3 LYS A 37 -1.443 -10.641 -1.409 1.00 0.58 H new ATOM 0 HD2 LYS A 37 -2.766 -13.362 -1.840 1.00 0.78 H new ATOM 0 HD3 LYS A 37 -3.433 -11.838 -2.391 1.00 0.78 H new ATOM 0 HE2 LYS A 37 -1.699 -11.507 -3.983 1.00 0.65 H new ATOM 0 HE3 LYS A 37 -0.632 -12.657 -3.202 1.00 0.65 H new ATOM 0 HZ1 LYS A 37 -1.901 -13.299 -5.344 1.00 1.18 H new ATOM 0 HZ2 LYS A 37 -1.729 -14.436 -4.096 1.00 1.18 H new ATOM 0 HZ3 LYS A 37 -3.196 -13.602 -4.288 1.00 1.18 H new ATOM 578 N LYS A 38 1.813 -13.596 1.506 1.00 0.40 N ATOM 579 CA LYS A 38 2.504 -14.741 2.131 1.00 0.47 C ATOM 580 C LYS A 38 2.403 -14.689 3.665 1.00 0.34 C ATOM 581 O LYS A 38 2.579 -15.711 4.325 1.00 0.41 O ATOM 582 CB LYS A 38 3.963 -14.846 1.609 1.00 0.69 C ATOM 583 CG LYS A 38 5.079 -14.637 2.658 1.00 1.55 C ATOM 584 CD LYS A 38 6.491 -14.569 2.047 1.00 1.73 C ATOM 585 CE LYS A 38 7.294 -13.408 2.650 1.00 2.45 C ATOM 586 NZ LYS A 38 8.744 -13.537 2.374 1.00 3.20 N ATOM 0 H LYS A 38 2.448 -12.871 1.171 1.00 0.40 H new ATOM 0 HA LYS A 38 2.001 -15.662 1.836 1.00 0.47 H new ATOM 0 HB2 LYS A 38 4.096 -15.830 1.159 1.00 0.69 H new ATOM 0 HB3 LYS A 38 4.097 -14.111 0.815 1.00 0.69 H new ATOM 0 HG2 LYS A 38 4.884 -13.715 3.206 1.00 1.55 H new ATOM 0 HG3 LYS A 38 5.044 -15.451 3.382 1.00 1.55 H new ATOM 0 HD2 LYS A 38 7.014 -15.509 2.224 1.00 1.73 H new ATOM 0 HD3 LYS A 38 6.418 -14.444 0.967 1.00 1.73 H new ATOM 0 HE2 LYS A 38 6.930 -12.465 2.243 1.00 2.45 H new ATOM 0 HE3 LYS A 38 7.131 -13.375 3.727 1.00 2.45 H new ATOM 0 HZ1 LYS A 38 9.205 -12.613 2.501 1.00 3.20 H new ATOM 0 HZ2 LYS A 38 9.162 -14.226 3.031 1.00 3.20 H new ATOM 0 HZ3 LYS A 38 8.884 -13.862 1.396 1.00 3.20 H new ATOM 600 N LYS A 39 2.143 -13.503 4.226 1.00 0.32 N ATOM 601 CA LYS A 39 2.001 -13.225 5.650 1.00 0.35 C ATOM 602 C LYS A 39 0.544 -13.347 6.117 1.00 0.35 C ATOM 603 O LYS A 39 -0.393 -13.356 5.321 1.00 0.43 O ATOM 604 CB LYS A 39 2.571 -11.815 5.911 1.00 0.37 C ATOM 605 CG LYS A 39 3.515 -11.824 7.110 1.00 1.54 C ATOM 606 CD LYS A 39 4.867 -12.480 6.795 1.00 1.07 C ATOM 607 CE LYS A 39 5.485 -12.956 8.114 1.00 2.19 C ATOM 608 NZ LYS A 39 6.930 -12.654 8.198 1.00 2.40 N ATOM 0 H LYS A 39 2.020 -12.664 3.659 1.00 0.32 H new ATOM 0 HA LYS A 39 2.555 -13.964 6.228 1.00 0.35 H new ATOM 0 HB2 LYS A 39 3.103 -11.464 5.027 1.00 0.37 H new ATOM 0 HB3 LYS A 39 1.755 -11.116 6.091 1.00 0.37 H new ATOM 0 HG2 LYS A 39 3.682 -10.800 7.444 1.00 1.54 H new ATOM 0 HG3 LYS A 39 3.042 -12.355 7.936 1.00 1.54 H new ATOM 0 HD2 LYS A 39 4.733 -13.320 6.113 1.00 1.07 H new ATOM 0 HD3 LYS A 39 5.528 -11.769 6.300 1.00 1.07 H new ATOM 0 HE2 LYS A 39 4.968 -12.481 8.947 1.00 2.19 H new ATOM 0 HE3 LYS A 39 5.334 -14.031 8.216 1.00 2.19 H new ATOM 0 HZ1 LYS A 39 7.278 -12.886 9.150 1.00 2.40 H new ATOM 0 HZ2 LYS A 39 7.445 -13.220 7.494 1.00 2.40 H new ATOM 0 HZ3 LYS A 39 7.085 -11.643 8.009 1.00 2.40 H new ATOM 622 N SER A 40 0.366 -13.450 7.434 1.00 0.34 N ATOM 623 CA SER A 40 -0.935 -13.668 8.071 1.00 0.36 C ATOM 624 C SER A 40 -1.837 -12.425 8.042 1.00 0.40 C ATOM 625 O SER A 40 -1.365 -11.288 7.996 1.00 0.46 O ATOM 626 CB SER A 40 -0.713 -14.101 9.525 1.00 0.39 C ATOM 627 OG SER A 40 0.043 -15.295 9.558 1.00 1.57 O ATOM 0 H SER A 40 1.135 -13.383 8.101 1.00 0.34 H new ATOM 0 HA SER A 40 -1.447 -14.444 7.503 1.00 0.36 H new ATOM 0 HB2 SER A 40 -0.193 -13.315 10.073 1.00 0.39 H new ATOM 0 HB3 SER A 40 -1.672 -14.253 10.019 1.00 0.39 H new ATOM 0 HG SER A 40 0.184 -15.567 10.489 1.00 1.57 H new ATOM 633 N ALA A 41 -3.149 -12.641 8.195 1.00 0.47 N ATOM 634 CA ALA A 41 -4.151 -11.579 8.332 1.00 0.53 C ATOM 635 C ALA A 41 -3.831 -10.594 9.471 1.00 0.51 C ATOM 636 O ALA A 41 -4.002 -9.382 9.330 1.00 0.53 O ATOM 637 CB ALA A 41 -5.505 -12.236 8.590 1.00 0.63 C ATOM 0 H ALA A 41 -3.551 -13.578 8.228 1.00 0.47 H new ATOM 0 HA ALA A 41 -4.156 -10.997 7.410 1.00 0.53 H new ATOM 0 HB1 ALA A 41 -6.269 -11.466 8.696 1.00 0.63 H new ATOM 0 HB2 ALA A 41 -5.759 -12.887 7.753 1.00 0.63 H new ATOM 0 HB3 ALA A 41 -5.455 -12.825 9.506 1.00 0.63 H new ATOM 643 N ASP A 42 -3.329 -11.121 10.593 1.00 0.50 N ATOM 644 CA ASP A 42 -2.919 -10.320 11.744 1.00 0.53 C ATOM 645 C ASP A 42 -1.725 -9.409 11.429 1.00 0.49 C ATOM 646 O ASP A 42 -1.614 -8.323 11.996 1.00 0.59 O ATOM 647 CB ASP A 42 -2.563 -11.242 12.916 1.00 0.63 C ATOM 648 CG ASP A 42 -3.758 -12.077 13.376 1.00 1.68 C ATOM 649 OD1 ASP A 42 -4.847 -11.482 13.537 1.00 2.46 O ATOM 650 OD2 ASP A 42 -3.563 -13.302 13.530 1.00 3.09 O ATOM 0 H ASP A 42 -3.196 -12.124 10.726 1.00 0.50 H new ATOM 0 HA ASP A 42 -3.760 -9.679 12.008 1.00 0.53 H new ATOM 0 HB2 ASP A 42 -1.750 -11.906 12.620 1.00 0.63 H new ATOM 0 HB3 ASP A 42 -2.198 -10.643 13.750 1.00 0.63 H new ATOM 655 N ASP A 43 -0.858 -9.823 10.497 1.00 0.45 N ATOM 656 CA ASP A 43 0.229 -8.990 9.988 1.00 0.46 C ATOM 657 C ASP A 43 -0.353 -7.899 9.083 1.00 0.43 C ATOM 658 O ASP A 43 -0.133 -6.718 9.335 1.00 0.46 O ATOM 659 CB ASP A 43 1.270 -9.859 9.268 1.00 0.48 C ATOM 660 CG ASP A 43 2.610 -9.136 9.158 1.00 1.00 C ATOM 661 OD1 ASP A 43 2.638 -8.082 8.491 1.00 2.38 O ATOM 662 OD2 ASP A 43 3.590 -9.652 9.740 1.00 1.81 O ATOM 0 H ASP A 43 -0.894 -10.751 10.075 1.00 0.45 H new ATOM 0 HA ASP A 43 0.746 -8.498 10.812 1.00 0.46 H new ATOM 0 HB2 ASP A 43 1.402 -10.796 9.809 1.00 0.48 H new ATOM 0 HB3 ASP A 43 0.908 -10.114 8.272 1.00 0.48 H new ATOM 667 N VAL A 44 -1.207 -8.281 8.120 1.00 0.43 N ATOM 668 CA VAL A 44 -2.007 -7.392 7.259 1.00 0.48 C ATOM 669 C VAL A 44 -2.691 -6.256 8.044 1.00 0.48 C ATOM 670 O VAL A 44 -2.667 -5.102 7.608 1.00 0.51 O ATOM 671 CB VAL A 44 -2.987 -8.260 6.433 1.00 0.61 C ATOM 672 CG1 VAL A 44 -4.414 -7.720 6.309 1.00 1.06 C ATOM 673 CG2 VAL A 44 -2.420 -8.505 5.034 1.00 0.79 C ATOM 0 H VAL A 44 -1.367 -9.266 7.910 1.00 0.43 H new ATOM 0 HA VAL A 44 -1.348 -6.866 6.568 1.00 0.48 H new ATOM 0 HB VAL A 44 -3.075 -9.186 7.001 1.00 0.61 H new ATOM 0 HG11 VAL A 44 -5.012 -8.407 5.711 1.00 1.06 H new ATOM 0 HG12 VAL A 44 -4.855 -7.625 7.301 1.00 1.06 H new ATOM 0 HG13 VAL A 44 -4.393 -6.743 5.826 1.00 1.06 H new ATOM 0 HG21 VAL A 44 -3.117 -9.117 4.461 1.00 0.79 H new ATOM 0 HG22 VAL A 44 -2.274 -7.551 4.528 1.00 0.79 H new ATOM 0 HG23 VAL A 44 -1.464 -9.023 5.114 1.00 0.79 H new ATOM 683 N LYS A 45 -3.235 -6.559 9.235 1.00 0.47 N ATOM 684 CA LYS A 45 -3.754 -5.574 10.197 1.00 0.51 C ATOM 685 C LYS A 45 -2.740 -4.483 10.559 1.00 0.54 C ATOM 686 O LYS A 45 -3.084 -3.300 10.570 1.00 0.73 O ATOM 687 CB LYS A 45 -4.310 -6.299 11.437 1.00 0.55 C ATOM 688 CG LYS A 45 -5.843 -6.303 11.395 1.00 1.19 C ATOM 689 CD LYS A 45 -6.428 -7.172 12.520 1.00 1.66 C ATOM 690 CE LYS A 45 -7.962 -7.210 12.475 1.00 1.97 C ATOM 691 NZ LYS A 45 -8.571 -5.932 12.916 1.00 2.78 N ATOM 0 H LYS A 45 -3.328 -7.520 9.563 1.00 0.47 H new ATOM 0 HA LYS A 45 -4.571 -5.039 9.713 1.00 0.51 H new ATOM 0 HB2 LYS A 45 -3.936 -7.322 11.469 1.00 0.55 H new ATOM 0 HB3 LYS A 45 -3.964 -5.804 12.344 1.00 0.55 H new ATOM 0 HG2 LYS A 45 -6.215 -5.283 11.490 1.00 1.19 H new ATOM 0 HG3 LYS A 45 -6.182 -6.677 10.429 1.00 1.19 H new ATOM 0 HD2 LYS A 45 -6.037 -8.186 12.436 1.00 1.66 H new ATOM 0 HD3 LYS A 45 -6.103 -6.784 13.485 1.00 1.66 H new ATOM 0 HE2 LYS A 45 -8.288 -7.433 11.459 1.00 1.97 H new ATOM 0 HE3 LYS A 45 -8.322 -8.019 13.110 1.00 1.97 H new ATOM 0 HZ1 LYS A 45 -9.607 -6.007 12.868 1.00 2.78 H new ATOM 0 HZ2 LYS A 45 -8.283 -5.730 13.895 1.00 2.78 H new ATOM 0 HZ3 LYS A 45 -8.250 -5.162 12.295 1.00 2.78 H new ATOM 705 N LYS A 46 -1.490 -4.867 10.828 1.00 0.40 N ATOM 706 CA LYS A 46 -0.387 -3.951 11.148 1.00 0.43 C ATOM 707 C LYS A 46 0.236 -3.321 9.895 1.00 0.41 C ATOM 708 O LYS A 46 0.695 -2.183 9.970 1.00 0.52 O ATOM 709 CB LYS A 46 0.663 -4.657 12.022 1.00 0.54 C ATOM 710 CG LYS A 46 -0.007 -5.354 13.223 1.00 0.95 C ATOM 711 CD LYS A 46 0.914 -5.611 14.419 1.00 1.92 C ATOM 712 CE LYS A 46 1.133 -4.316 15.210 1.00 3.19 C ATOM 713 NZ LYS A 46 1.624 -4.595 16.580 1.00 4.54 N ATOM 0 H LYS A 46 -1.207 -5.847 10.830 1.00 0.40 H new ATOM 0 HA LYS A 46 -0.803 -3.123 11.722 1.00 0.43 H new ATOM 0 HB2 LYS A 46 1.206 -5.391 11.426 1.00 0.54 H new ATOM 0 HB3 LYS A 46 1.394 -3.931 12.378 1.00 0.54 H new ATOM 0 HG2 LYS A 46 -0.847 -4.744 13.555 1.00 0.95 H new ATOM 0 HG3 LYS A 46 -0.417 -6.307 12.888 1.00 0.95 H new ATOM 0 HD2 LYS A 46 0.477 -6.371 15.067 1.00 1.92 H new ATOM 0 HD3 LYS A 46 1.872 -6.000 14.072 1.00 1.92 H new ATOM 0 HE2 LYS A 46 1.851 -3.685 14.686 1.00 3.19 H new ATOM 0 HE3 LYS A 46 0.198 -3.758 15.264 1.00 3.19 H new ATOM 0 HZ1 LYS A 46 1.762 -3.698 17.089 1.00 4.54 H new ATOM 0 HZ2 LYS A 46 0.927 -5.177 17.087 1.00 4.54 H new ATOM 0 HZ3 LYS A 46 2.528 -5.106 16.527 1.00 4.54 H new ATOM 727 N VAL A 47 0.186 -4.004 8.743 1.00 0.35 N ATOM 728 CA VAL A 47 0.557 -3.467 7.425 1.00 0.35 C ATOM 729 C VAL A 47 -0.282 -2.233 7.110 1.00 0.35 C ATOM 730 O VAL A 47 0.303 -1.161 6.996 1.00 0.35 O ATOM 731 CB VAL A 47 0.457 -4.522 6.304 1.00 0.39 C ATOM 732 CG1 VAL A 47 0.712 -3.948 4.902 1.00 0.43 C ATOM 733 CG2 VAL A 47 1.456 -5.663 6.537 1.00 0.45 C ATOM 0 H VAL A 47 -0.123 -4.975 8.701 1.00 0.35 H new ATOM 0 HA VAL A 47 1.607 -3.177 7.470 1.00 0.35 H new ATOM 0 HB VAL A 47 -0.569 -4.887 6.344 1.00 0.39 H new ATOM 0 HG11 VAL A 47 0.626 -4.744 4.162 1.00 0.43 H new ATOM 0 HG12 VAL A 47 -0.023 -3.172 4.687 1.00 0.43 H new ATOM 0 HG13 VAL A 47 1.714 -3.521 4.861 1.00 0.43 H new ATOM 0 HG21 VAL A 47 1.367 -6.394 5.734 1.00 0.45 H new ATOM 0 HG22 VAL A 47 2.469 -5.262 6.552 1.00 0.45 H new ATOM 0 HG23 VAL A 47 1.242 -6.144 7.491 1.00 0.45 H new ATOM 743 N PHE A 48 -1.622 -2.336 7.029 1.00 0.39 N ATOM 744 CA PHE A 48 -2.510 -1.182 6.860 1.00 0.41 C ATOM 745 C PHE A 48 -2.163 -0.021 7.809 1.00 0.33 C ATOM 746 O PHE A 48 -2.028 1.121 7.366 1.00 0.31 O ATOM 747 CB PHE A 48 -3.962 -1.641 7.042 1.00 0.58 C ATOM 748 CG PHE A 48 -4.910 -0.482 7.257 1.00 0.73 C ATOM 749 CD1 PHE A 48 -5.116 0.008 8.561 1.00 2.47 C ATOM 750 CD2 PHE A 48 -5.475 0.183 6.155 1.00 1.57 C ATOM 751 CE1 PHE A 48 -5.736 1.253 8.750 1.00 2.74 C ATOM 752 CE2 PHE A 48 -6.150 1.395 6.355 1.00 1.56 C ATOM 753 CZ PHE A 48 -6.204 1.964 7.636 1.00 1.43 C ATOM 0 H PHE A 48 -2.116 -3.227 7.080 1.00 0.39 H new ATOM 0 HA PHE A 48 -2.373 -0.789 5.853 1.00 0.41 H new ATOM 0 HB2 PHE A 48 -4.275 -2.205 6.163 1.00 0.58 H new ATOM 0 HB3 PHE A 48 -4.022 -2.319 7.893 1.00 0.58 H new ATOM 0 HD1 PHE A 48 -4.798 -0.573 9.414 1.00 2.47 H new ATOM 0 HD2 PHE A 48 -5.390 -0.236 5.163 1.00 1.57 H new ATOM 0 HE1 PHE A 48 -5.851 1.659 9.744 1.00 2.74 H new ATOM 0 HE2 PHE A 48 -6.628 1.891 5.523 1.00 1.56 H new ATOM 0 HZ PHE A 48 -6.609 2.957 7.765 1.00 1.43 H new ATOM 763 N HIS A 49 -1.975 -0.312 9.103 1.00 0.38 N ATOM 764 CA HIS A 49 -1.548 0.678 10.094 1.00 0.45 C ATOM 765 C HIS A 49 -0.229 1.365 9.719 1.00 0.46 C ATOM 766 O HIS A 49 -0.040 2.529 10.057 1.00 0.80 O ATOM 767 CB HIS A 49 -1.412 0.007 11.473 1.00 0.59 C ATOM 768 CG HIS A 49 -2.556 0.214 12.434 1.00 1.07 C ATOM 769 ND1 HIS A 49 -2.492 -0.003 13.794 1.00 1.82 N ATOM 770 CD2 HIS A 49 -3.828 0.629 12.145 1.00 2.46 C ATOM 771 CE1 HIS A 49 -3.702 0.280 14.309 1.00 2.44 C ATOM 772 NE2 HIS A 49 -4.541 0.672 13.342 1.00 2.91 N ATOM 0 H HIS A 49 -2.116 -1.245 9.491 1.00 0.38 H new ATOM 0 HA HIS A 49 -2.314 1.453 10.124 1.00 0.45 H new ATOM 0 HB2 HIS A 49 -1.283 -1.065 11.321 1.00 0.59 H new ATOM 0 HB3 HIS A 49 -0.500 0.374 11.943 1.00 0.59 H new ATOM 0 HD2 HIS A 49 -4.210 0.878 11.166 1.00 2.46 H new ATOM 0 HE1 HIS A 49 -3.960 0.202 15.355 1.00 2.44 H new ATOM 0 HE2 HIS A 49 -5.516 0.949 13.459 1.00 2.91 H new ATOM 780 N MET A 50 0.705 0.686 9.057 1.00 0.34 N ATOM 781 CA MET A 50 1.962 1.299 8.648 1.00 0.52 C ATOM 782 C MET A 50 1.762 2.340 7.531 1.00 0.55 C ATOM 783 O MET A 50 2.412 3.384 7.563 1.00 0.62 O ATOM 784 CB MET A 50 2.953 0.196 8.258 1.00 0.61 C ATOM 785 CG MET A 50 4.392 0.678 8.413 1.00 0.79 C ATOM 786 SD MET A 50 4.934 1.032 10.110 1.00 1.13 S ATOM 787 CE MET A 50 5.385 2.774 9.883 1.00 1.45 C ATOM 0 H MET A 50 0.612 -0.295 8.792 1.00 0.34 H new ATOM 0 HA MET A 50 2.378 1.856 9.487 1.00 0.52 H new ATOM 0 HB2 MET A 50 2.790 -0.682 8.883 1.00 0.61 H new ATOM 0 HB3 MET A 50 2.776 -0.109 7.227 1.00 0.61 H new ATOM 0 HG2 MET A 50 5.055 -0.077 7.991 1.00 0.79 H new ATOM 0 HG3 MET A 50 4.518 1.582 7.816 1.00 0.79 H new ATOM 0 HE1 MET A 50 5.748 3.182 10.826 1.00 1.45 H new ATOM 0 HE2 MET A 50 6.168 2.852 9.129 1.00 1.45 H new ATOM 0 HE3 MET A 50 4.510 3.337 9.557 1.00 1.45 H new ATOM 797 N LEU A 51 0.842 2.089 6.585 1.00 0.53 N ATOM 798 CA LEU A 51 0.407 3.059 5.568 1.00 0.46 C ATOM 799 C LEU A 51 -0.365 4.218 6.200 1.00 0.51 C ATOM 800 O LEU A 51 -0.099 5.370 5.862 1.00 0.62 O ATOM 801 CB LEU A 51 -0.549 2.431 4.544 1.00 0.40 C ATOM 802 CG LEU A 51 0.017 1.400 3.563 1.00 0.74 C ATOM 803 CD1 LEU A 51 0.330 0.064 4.230 1.00 1.68 C ATOM 804 CD2 LEU A 51 -1.070 1.134 2.523 1.00 2.25 C ATOM 0 H LEU A 51 0.371 1.188 6.505 1.00 0.53 H new ATOM 0 HA LEU A 51 1.323 3.401 5.086 1.00 0.46 H new ATOM 0 HB2 LEU A 51 -1.361 1.956 5.094 1.00 0.40 H new ATOM 0 HB3 LEU A 51 -0.989 3.239 3.960 1.00 0.40 H new ATOM 0 HG LEU A 51 0.941 1.797 3.144 1.00 0.74 H new ATOM 0 HD11 LEU A 51 0.728 -0.629 3.488 1.00 1.68 H new ATOM 0 HD12 LEU A 51 1.067 0.215 5.018 1.00 1.68 H new ATOM 0 HD13 LEU A 51 -0.582 -0.350 4.661 1.00 1.68 H new ATOM 0 HD21 LEU A 51 -0.710 0.402 1.800 1.00 2.25 H new ATOM 0 HD22 LEU A 51 -1.961 0.747 3.018 1.00 2.25 H new ATOM 0 HD23 LEU A 51 -1.316 2.063 2.008 1.00 2.25 H new ATOM 816 N ASP A 52 -1.354 3.919 7.057 1.00 0.47 N ATOM 817 CA ASP A 52 -2.162 4.963 7.678 1.00 0.55 C ATOM 818 C ASP A 52 -1.348 5.730 8.729 1.00 0.59 C ATOM 819 O ASP A 52 -1.273 5.366 9.906 1.00 0.82 O ATOM 820 CB ASP A 52 -3.524 4.467 8.186 1.00 0.67 C ATOM 821 CG ASP A 52 -4.415 5.681 8.483 1.00 1.16 C ATOM 822 OD1 ASP A 52 -3.968 6.581 9.220 1.00 2.12 O ATOM 823 OD2 ASP A 52 -5.536 5.818 7.934 1.00 2.24 O ATOM 0 H ASP A 52 -1.607 2.969 7.330 1.00 0.47 H new ATOM 0 HA ASP A 52 -2.424 5.677 6.897 1.00 0.55 H new ATOM 0 HB2 ASP A 52 -3.995 3.827 7.439 1.00 0.67 H new ATOM 0 HB3 ASP A 52 -3.395 3.865 9.085 1.00 0.67 H new ATOM 828 N LYS A 53 -0.748 6.829 8.266 1.00 0.54 N ATOM 829 CA LYS A 53 0.056 7.783 9.031 1.00 0.57 C ATOM 830 C LYS A 53 -0.712 8.560 10.117 1.00 0.69 C ATOM 831 O LYS A 53 -0.080 9.371 10.790 1.00 1.18 O ATOM 832 CB LYS A 53 0.786 8.724 8.044 1.00 0.67 C ATOM 833 CG LYS A 53 1.840 8.005 7.173 1.00 1.10 C ATOM 834 CD LYS A 53 3.100 7.583 7.950 1.00 1.80 C ATOM 835 CE LYS A 53 4.101 8.737 8.062 1.00 2.28 C ATOM 836 NZ LYS A 53 5.021 8.749 6.903 1.00 3.11 N ATOM 0 H LYS A 53 -0.816 7.093 7.283 1.00 0.54 H new ATOM 0 HA LYS A 53 0.780 7.204 9.604 1.00 0.57 H new ATOM 0 HB2 LYS A 53 0.050 9.197 7.394 1.00 0.67 H new ATOM 0 HB3 LYS A 53 1.273 9.521 8.606 1.00 0.67 H new ATOM 0 HG2 LYS A 53 1.387 7.121 6.725 1.00 1.10 H new ATOM 0 HG3 LYS A 53 2.132 8.663 6.354 1.00 1.10 H new ATOM 0 HD2 LYS A 53 2.818 7.246 8.948 1.00 1.80 H new ATOM 0 HD3 LYS A 53 3.572 6.738 7.449 1.00 1.80 H new ATOM 0 HE2 LYS A 53 3.566 9.685 8.117 1.00 2.28 H new ATOM 0 HE3 LYS A 53 4.673 8.640 8.985 1.00 2.28 H new ATOM 0 HZ1 LYS A 53 5.691 9.539 6.999 1.00 3.11 H new ATOM 0 HZ2 LYS A 53 5.546 7.852 6.867 1.00 3.11 H new ATOM 0 HZ3 LYS A 53 4.473 8.864 6.026 1.00 3.11 H new ATOM 850 N ASP A 54 -2.011 8.306 10.342 1.00 0.81 N ATOM 851 CA ASP A 54 -2.778 8.891 11.455 1.00 1.05 C ATOM 852 C ASP A 54 -3.384 7.848 12.428 1.00 1.15 C ATOM 853 O ASP A 54 -3.417 8.123 13.626 1.00 1.65 O ATOM 854 CB ASP A 54 -3.803 9.907 10.910 1.00 1.14 C ATOM 855 CG ASP A 54 -5.101 9.280 10.393 1.00 1.30 C ATOM 856 OD1 ASP A 54 -5.845 8.739 11.232 1.00 2.78 O ATOM 857 OD2 ASP A 54 -5.378 9.307 9.170 1.00 1.37 O ATOM 0 H ASP A 54 -2.564 7.684 9.752 1.00 0.81 H new ATOM 0 HA ASP A 54 -2.075 9.432 12.088 1.00 1.05 H new ATOM 0 HB2 ASP A 54 -4.046 10.618 11.699 1.00 1.14 H new ATOM 0 HB3 ASP A 54 -3.340 10.474 10.102 1.00 1.14 H new ATOM 862 N LYS A 55 -3.797 6.670 11.916 1.00 0.93 N ATOM 863 CA LYS A 55 -4.364 5.441 12.523 1.00 1.14 C ATOM 864 C LYS A 55 -5.880 5.250 12.276 1.00 1.37 C ATOM 865 O LYS A 55 -6.413 4.234 12.716 1.00 2.26 O ATOM 866 CB LYS A 55 -4.024 5.261 14.024 1.00 1.46 C ATOM 867 CG LYS A 55 -2.531 5.097 14.369 1.00 1.48 C ATOM 868 CD LYS A 55 -1.906 3.793 13.847 1.00 1.82 C ATOM 869 CE LYS A 55 -1.153 4.023 12.535 1.00 2.03 C ATOM 870 NZ LYS A 55 0.178 3.383 12.541 1.00 2.90 N ATOM 0 H LYS A 55 -3.730 6.538 10.907 1.00 0.93 H new ATOM 0 HA LYS A 55 -3.853 4.644 11.982 1.00 1.14 H new ATOM 0 HB2 LYS A 55 -4.409 6.124 14.568 1.00 1.46 H new ATOM 0 HB3 LYS A 55 -4.559 4.386 14.394 1.00 1.46 H new ATOM 0 HG2 LYS A 55 -1.979 5.942 13.958 1.00 1.48 H new ATOM 0 HG3 LYS A 55 -2.413 5.136 15.452 1.00 1.48 H new ATOM 0 HD2 LYS A 55 -1.223 3.390 14.595 1.00 1.82 H new ATOM 0 HD3 LYS A 55 -2.687 3.048 13.695 1.00 1.82 H new ATOM 0 HE2 LYS A 55 -1.741 3.629 11.706 1.00 2.03 H new ATOM 0 HE3 LYS A 55 -1.040 5.094 12.365 1.00 2.03 H new ATOM 0 HZ1 LYS A 55 0.436 3.109 11.571 1.00 2.90 H new ATOM 0 HZ2 LYS A 55 0.883 4.052 12.911 1.00 2.90 H new ATOM 0 HZ3 LYS A 55 0.153 2.536 13.145 1.00 2.90 H new ATOM 884 N SER A 56 -6.589 6.144 11.565 1.00 0.71 N ATOM 885 CA SER A 56 -8.070 6.195 11.494 1.00 0.69 C ATOM 886 C SER A 56 -8.815 4.927 11.053 1.00 0.68 C ATOM 887 O SER A 56 -10.014 4.830 11.304 1.00 0.71 O ATOM 888 CB SER A 56 -8.569 7.328 10.576 1.00 0.74 C ATOM 889 OG SER A 56 -8.412 7.026 9.196 1.00 0.95 O ATOM 0 H SER A 56 -6.142 6.872 11.008 1.00 0.71 H new ATOM 0 HA SER A 56 -8.308 6.353 12.546 1.00 0.69 H new ATOM 0 HB2 SER A 56 -9.621 7.521 10.784 1.00 0.74 H new ATOM 0 HB3 SER A 56 -8.025 8.244 10.807 1.00 0.74 H new ATOM 0 HG SER A 56 -8.744 7.774 8.658 1.00 0.95 H new ATOM 895 N GLY A 57 -8.159 3.990 10.358 1.00 0.76 N ATOM 896 CA GLY A 57 -8.811 2.837 9.724 1.00 0.88 C ATOM 897 C GLY A 57 -9.142 3.043 8.239 1.00 0.72 C ATOM 898 O GLY A 57 -9.642 2.121 7.599 1.00 0.80 O ATOM 0 H GLY A 57 -7.149 4.011 10.218 1.00 0.76 H new ATOM 0 HA2 GLY A 57 -8.163 1.966 9.823 1.00 0.88 H new ATOM 0 HA3 GLY A 57 -9.732 2.612 10.263 1.00 0.88 H new ATOM 902 N PHE A 58 -8.835 4.223 7.679 1.00 0.60 N ATOM 903 CA PHE A 58 -9.201 4.618 6.319 1.00 0.59 C ATOM 904 C PHE A 58 -8.052 5.388 5.647 1.00 0.54 C ATOM 905 O PHE A 58 -7.722 6.491 6.090 1.00 0.79 O ATOM 906 CB PHE A 58 -10.480 5.474 6.394 1.00 0.59 C ATOM 907 CG PHE A 58 -11.600 4.898 7.242 1.00 0.61 C ATOM 908 CD1 PHE A 58 -12.457 3.914 6.714 1.00 2.05 C ATOM 909 CD2 PHE A 58 -11.761 5.322 8.576 1.00 1.82 C ATOM 910 CE1 PHE A 58 -13.471 3.360 7.516 1.00 2.13 C ATOM 911 CE2 PHE A 58 -12.768 4.761 9.379 1.00 1.89 C ATOM 912 CZ PHE A 58 -13.625 3.781 8.848 1.00 0.99 C ATOM 0 H PHE A 58 -8.312 4.944 8.176 1.00 0.60 H new ATOM 0 HA PHE A 58 -9.389 3.734 5.710 1.00 0.59 H new ATOM 0 HB2 PHE A 58 -10.217 6.456 6.788 1.00 0.59 H new ATOM 0 HB3 PHE A 58 -10.855 5.626 5.382 1.00 0.59 H new ATOM 0 HD1 PHE A 58 -12.336 3.584 5.693 1.00 2.05 H new ATOM 0 HD2 PHE A 58 -11.108 6.080 8.982 1.00 1.82 H new ATOM 0 HE1 PHE A 58 -14.132 2.610 7.108 1.00 2.13 H new ATOM 0 HE2 PHE A 58 -12.884 5.082 10.404 1.00 1.89 H new ATOM 0 HZ PHE A 58 -14.402 3.352 9.464 1.00 0.99 H new ATOM 922 N ILE A 59 -7.428 4.827 4.598 1.00 0.30 N ATOM 923 CA ILE A 59 -6.389 5.535 3.827 1.00 0.27 C ATOM 924 C ILE A 59 -7.038 6.342 2.688 1.00 0.31 C ATOM 925 O ILE A 59 -7.865 5.832 1.928 1.00 0.34 O ATOM 926 CB ILE A 59 -5.320 4.553 3.312 1.00 0.39 C ATOM 927 CG1 ILE A 59 -4.567 3.839 4.455 1.00 0.70 C ATOM 928 CG2 ILE A 59 -4.270 5.216 2.403 1.00 0.61 C ATOM 929 CD1 ILE A 59 -4.083 2.464 4.000 1.00 1.08 C ATOM 0 H ILE A 59 -7.625 3.884 4.263 1.00 0.30 H new ATOM 0 HA ILE A 59 -5.876 6.239 4.482 1.00 0.27 H new ATOM 0 HB ILE A 59 -5.890 3.827 2.732 1.00 0.39 H new ATOM 0 HG12 ILE A 59 -3.717 4.444 4.772 1.00 0.70 H new ATOM 0 HG13 ILE A 59 -5.222 3.733 5.319 1.00 0.70 H new ATOM 0 HG21 ILE A 59 -3.548 4.468 2.076 1.00 0.61 H new ATOM 0 HG22 ILE A 59 -4.763 5.649 1.533 1.00 0.61 H new ATOM 0 HG23 ILE A 59 -3.754 6.001 2.956 1.00 0.61 H new ATOM 0 HD11 ILE A 59 -3.554 1.975 4.818 1.00 1.08 H new ATOM 0 HD12 ILE A 59 -4.939 1.856 3.706 1.00 1.08 H new ATOM 0 HD13 ILE A 59 -3.410 2.578 3.150 1.00 1.08 H new ATOM 941 N GLU A 60 -6.624 7.607 2.604 1.00 0.41 N ATOM 942 CA GLU A 60 -7.160 8.767 1.882 1.00 0.42 C ATOM 943 C GLU A 60 -6.014 9.499 1.143 1.00 0.43 C ATOM 944 O GLU A 60 -4.842 9.201 1.394 1.00 0.42 O ATOM 945 CB GLU A 60 -7.773 9.719 2.936 1.00 0.68 C ATOM 946 CG GLU A 60 -8.968 9.078 3.662 1.00 1.44 C ATOM 947 CD GLU A 60 -9.157 9.433 5.140 1.00 1.14 C ATOM 948 OE1 GLU A 60 -8.168 9.416 5.910 1.00 1.07 O ATOM 949 OE2 GLU A 60 -10.347 9.583 5.514 1.00 1.97 O ATOM 0 H GLU A 60 -5.784 7.881 3.114 1.00 0.41 H new ATOM 0 HA GLU A 60 -7.905 8.454 1.151 1.00 0.42 H new ATOM 0 HB2 GLU A 60 -7.010 9.993 3.665 1.00 0.68 H new ATOM 0 HB3 GLU A 60 -8.095 10.640 2.450 1.00 0.68 H new ATOM 0 HG2 GLU A 60 -9.877 9.356 3.128 1.00 1.44 H new ATOM 0 HG3 GLU A 60 -8.871 7.995 3.584 1.00 1.44 H new ATOM 956 N GLU A 61 -6.324 10.469 0.262 1.00 0.57 N ATOM 957 CA GLU A 61 -5.344 11.184 -0.590 1.00 0.71 C ATOM 958 C GLU A 61 -4.122 11.737 0.167 1.00 0.75 C ATOM 959 O GLU A 61 -2.999 11.637 -0.336 1.00 0.82 O ATOM 960 CB GLU A 61 -6.021 12.245 -1.472 1.00 0.95 C ATOM 961 CG GLU A 61 -6.680 13.415 -0.733 1.00 1.67 C ATOM 962 CD GLU A 61 -7.325 14.371 -1.742 1.00 1.88 C ATOM 963 OE1 GLU A 61 -6.590 15.227 -2.285 1.00 2.69 O ATOM 964 OE2 GLU A 61 -8.541 14.209 -1.992 1.00 2.38 O ATOM 0 H GLU A 61 -7.282 10.787 0.117 1.00 0.57 H new ATOM 0 HA GLU A 61 -4.930 10.423 -1.251 1.00 0.71 H new ATOM 0 HB2 GLU A 61 -5.275 12.648 -2.157 1.00 0.95 H new ATOM 0 HB3 GLU A 61 -6.780 11.752 -2.080 1.00 0.95 H new ATOM 0 HG2 GLU A 61 -7.434 13.041 -0.040 1.00 1.67 H new ATOM 0 HG3 GLU A 61 -5.937 13.946 -0.139 1.00 1.67 H new ATOM 971 N ASP A 62 -4.338 12.211 1.399 1.00 0.75 N ATOM 972 CA ASP A 62 -3.358 12.694 2.377 1.00 0.89 C ATOM 973 C ASP A 62 -2.183 11.731 2.596 1.00 0.83 C ATOM 974 O ASP A 62 -1.047 12.163 2.780 1.00 1.24 O ATOM 975 CB ASP A 62 -4.077 12.886 3.724 1.00 1.03 C ATOM 976 CG ASP A 62 -5.346 13.734 3.611 1.00 1.90 C ATOM 977 OD1 ASP A 62 -6.325 13.205 3.030 1.00 3.54 O ATOM 978 OD2 ASP A 62 -5.316 14.886 4.095 1.00 2.48 O ATOM 0 H ASP A 62 -5.287 12.272 1.769 1.00 0.75 H new ATOM 0 HA ASP A 62 -2.945 13.623 1.985 1.00 0.89 H new ATOM 0 HB2 ASP A 62 -4.335 11.910 4.134 1.00 1.03 H new ATOM 0 HB3 ASP A 62 -3.394 13.358 4.430 1.00 1.03 H new ATOM 983 N GLU A 63 -2.464 10.425 2.582 1.00 0.59 N ATOM 984 CA GLU A 63 -1.462 9.363 2.665 1.00 0.61 C ATOM 985 C GLU A 63 -1.174 8.784 1.285 1.00 0.50 C ATOM 986 O GLU A 63 -0.024 8.481 0.992 1.00 0.54 O ATOM 987 CB GLU A 63 -1.988 8.237 3.556 1.00 0.75 C ATOM 988 CG GLU A 63 -2.148 8.630 5.030 1.00 0.88 C ATOM 989 CD GLU A 63 -3.466 8.084 5.579 1.00 1.05 C ATOM 990 OE1 GLU A 63 -3.727 6.877 5.422 1.00 2.60 O ATOM 991 OE2 GLU A 63 -4.261 8.849 6.165 1.00 1.03 O ATOM 0 H GLU A 63 -3.418 10.070 2.511 1.00 0.59 H new ATOM 0 HA GLU A 63 -0.547 9.788 3.078 1.00 0.61 H new ATOM 0 HB2 GLU A 63 -2.953 7.905 3.173 1.00 0.75 H new ATOM 0 HB3 GLU A 63 -1.309 7.387 3.489 1.00 0.75 H new ATOM 0 HG2 GLU A 63 -1.313 8.239 5.611 1.00 0.88 H new ATOM 0 HG3 GLU A 63 -2.125 9.715 5.130 1.00 0.88 H new ATOM 998 N LEU A 64 -2.198 8.640 0.434 1.00 0.44 N ATOM 999 CA LEU A 64 -2.135 8.033 -0.895 1.00 0.46 C ATOM 1000 C LEU A 64 -1.028 8.606 -1.785 1.00 0.45 C ATOM 1001 O LEU A 64 -0.438 7.865 -2.566 1.00 0.58 O ATOM 1002 CB LEU A 64 -3.493 8.227 -1.582 1.00 0.58 C ATOM 1003 CG LEU A 64 -4.085 6.931 -2.119 1.00 0.49 C ATOM 1004 CD1 LEU A 64 -4.748 6.124 -1.007 1.00 0.92 C ATOM 1005 CD2 LEU A 64 -5.128 7.267 -3.174 1.00 1.14 C ATOM 0 H LEU A 64 -3.138 8.961 0.668 1.00 0.44 H new ATOM 0 HA LEU A 64 -1.898 6.978 -0.757 1.00 0.46 H new ATOM 0 HB2 LEU A 64 -4.191 8.671 -0.873 1.00 0.58 H new ATOM 0 HB3 LEU A 64 -3.379 8.935 -2.403 1.00 0.58 H new ATOM 0 HG LEU A 64 -3.280 6.333 -2.546 1.00 0.49 H new ATOM 0 HD11 LEU A 64 -5.161 5.204 -1.422 1.00 0.92 H new ATOM 0 HD12 LEU A 64 -4.008 5.878 -0.245 1.00 0.92 H new ATOM 0 HD13 LEU A 64 -5.549 6.712 -0.559 1.00 0.92 H new ATOM 0 HD21 LEU A 64 -5.559 6.346 -3.566 1.00 1.14 H new ATOM 0 HD22 LEU A 64 -5.915 7.874 -2.727 1.00 1.14 H new ATOM 0 HD23 LEU A 64 -4.658 7.822 -3.986 1.00 1.14 H new ATOM 1017 N GLY A 65 -0.730 9.900 -1.630 1.00 0.37 N ATOM 1018 CA GLY A 65 0.451 10.544 -2.206 1.00 0.42 C ATOM 1019 C GLY A 65 1.765 9.803 -1.911 1.00 0.40 C ATOM 1020 O GLY A 65 2.511 9.490 -2.830 1.00 0.67 O ATOM 0 H GLY A 65 -1.314 10.539 -1.091 1.00 0.37 H new ATOM 0 HA2 GLY A 65 0.322 10.620 -3.286 1.00 0.42 H new ATOM 0 HA3 GLY A 65 0.523 11.561 -1.821 1.00 0.42 H new ATOM 1024 N PHE A 66 2.052 9.471 -0.647 1.00 0.39 N ATOM 1025 CA PHE A 66 3.364 8.974 -0.191 1.00 0.42 C ATOM 1026 C PHE A 66 3.264 7.754 0.747 1.00 0.41 C ATOM 1027 O PHE A 66 4.123 7.524 1.598 1.00 0.49 O ATOM 1028 CB PHE A 66 4.181 10.145 0.379 1.00 0.44 C ATOM 1029 CG PHE A 66 3.486 10.962 1.451 1.00 0.41 C ATOM 1030 CD1 PHE A 66 3.494 10.536 2.793 1.00 1.30 C ATOM 1031 CD2 PHE A 66 2.810 12.145 1.099 1.00 1.67 C ATOM 1032 CE1 PHE A 66 2.840 11.295 3.780 1.00 1.30 C ATOM 1033 CE2 PHE A 66 2.147 12.898 2.082 1.00 1.82 C ATOM 1034 CZ PHE A 66 2.165 12.475 3.422 1.00 0.83 C ATOM 0 H PHE A 66 1.368 9.540 0.106 1.00 0.39 H new ATOM 0 HA PHE A 66 3.906 8.580 -1.050 1.00 0.42 H new ATOM 0 HB2 PHE A 66 5.110 9.751 0.791 1.00 0.44 H new ATOM 0 HB3 PHE A 66 4.453 10.809 -0.441 1.00 0.44 H new ATOM 0 HD1 PHE A 66 4.004 9.624 3.065 1.00 1.30 H new ATOM 0 HD2 PHE A 66 2.801 12.475 0.071 1.00 1.67 H new ATOM 0 HE1 PHE A 66 2.856 10.972 4.810 1.00 1.30 H new ATOM 0 HE2 PHE A 66 1.623 13.802 1.808 1.00 1.82 H new ATOM 0 HZ PHE A 66 1.659 13.057 4.178 1.00 0.83 H new ATOM 1044 N ILE A 67 2.227 6.937 0.541 1.00 0.41 N ATOM 1045 CA ILE A 67 1.831 5.674 1.174 1.00 0.34 C ATOM 1046 C ILE A 67 3.020 4.760 1.472 1.00 0.32 C ATOM 1047 O ILE A 67 3.117 4.174 2.554 1.00 0.31 O ATOM 1048 CB ILE A 67 0.720 5.072 0.273 1.00 0.56 C ATOM 1049 CG1 ILE A 67 0.279 3.652 0.639 1.00 0.86 C ATOM 1050 CG2 ILE A 67 0.997 5.122 -1.237 1.00 1.33 C ATOM 1051 CD1 ILE A 67 1.211 2.513 0.200 1.00 0.56 C ATOM 0 H ILE A 67 1.548 7.183 -0.179 1.00 0.41 H new ATOM 0 HA ILE A 67 1.425 5.827 2.174 1.00 0.34 H new ATOM 0 HB ILE A 67 -0.100 5.755 0.493 1.00 0.56 H new ATOM 0 HG12 ILE A 67 0.161 3.599 1.721 1.00 0.86 H new ATOM 0 HG13 ILE A 67 -0.704 3.476 0.202 1.00 0.86 H new ATOM 0 HG21 ILE A 67 0.160 4.677 -1.775 1.00 1.33 H new ATOM 0 HG22 ILE A 67 1.120 6.159 -1.550 1.00 1.33 H new ATOM 0 HG23 ILE A 67 1.908 4.566 -1.458 1.00 1.33 H new ATOM 0 HD11 ILE A 67 0.792 1.558 0.516 1.00 0.56 H new ATOM 0 HD12 ILE A 67 1.312 2.524 -0.885 1.00 0.56 H new ATOM 0 HD13 ILE A 67 2.191 2.648 0.657 1.00 0.56 H new ATOM 1063 N LEU A 68 3.965 4.687 0.536 1.00 0.41 N ATOM 1064 CA LEU A 68 5.195 3.919 0.657 1.00 0.47 C ATOM 1065 C LEU A 68 6.049 4.310 1.875 1.00 0.45 C ATOM 1066 O LEU A 68 6.804 3.461 2.338 1.00 0.47 O ATOM 1067 CB LEU A 68 5.989 4.089 -0.640 1.00 0.63 C ATOM 1068 CG LEU A 68 5.380 3.334 -1.827 1.00 0.86 C ATOM 1069 CD1 LEU A 68 5.572 4.153 -3.098 1.00 0.96 C ATOM 1070 CD2 LEU A 68 6.067 1.978 -1.991 1.00 1.81 C ATOM 0 H LEU A 68 3.889 5.178 -0.355 1.00 0.41 H new ATOM 0 HA LEU A 68 4.927 2.875 0.819 1.00 0.47 H new ATOM 0 HB2 LEU A 68 6.049 5.149 -0.885 1.00 0.63 H new ATOM 0 HB3 LEU A 68 7.010 3.740 -0.482 1.00 0.63 H new ATOM 0 HG LEU A 68 4.317 3.178 -1.645 1.00 0.86 H new ATOM 0 HD11 LEU A 68 5.140 3.619 -3.944 1.00 0.96 H new ATOM 0 HD12 LEU A 68 5.077 5.118 -2.987 1.00 0.96 H new ATOM 0 HD13 LEU A 68 6.636 4.309 -3.273 1.00 0.96 H new ATOM 0 HD21 LEU A 68 5.629 1.448 -2.836 1.00 1.81 H new ATOM 0 HD22 LEU A 68 7.132 2.129 -2.170 1.00 1.81 H new ATOM 0 HD23 LEU A 68 5.931 1.389 -1.084 1.00 1.81 H new ATOM 1082 N LYS A 69 5.910 5.528 2.438 1.00 0.47 N ATOM 1083 CA LYS A 69 6.601 5.944 3.674 1.00 0.58 C ATOM 1084 C LYS A 69 6.154 5.136 4.898 1.00 0.58 C ATOM 1085 O LYS A 69 6.773 5.255 5.953 1.00 0.77 O ATOM 1086 CB LYS A 69 6.413 7.446 3.966 1.00 0.78 C ATOM 1087 CG LYS A 69 7.157 8.391 3.011 1.00 0.81 C ATOM 1088 CD LYS A 69 7.147 9.825 3.567 1.00 1.88 C ATOM 1089 CE LYS A 69 7.750 10.816 2.567 1.00 2.94 C ATOM 1090 NZ LYS A 69 7.724 12.203 3.096 1.00 4.02 N ATOM 0 H LYS A 69 5.311 6.254 2.045 1.00 0.47 H new ATOM 0 HA LYS A 69 7.658 5.746 3.494 1.00 0.58 H new ATOM 0 HB2 LYS A 69 5.349 7.678 3.927 1.00 0.78 H new ATOM 0 HB3 LYS A 69 6.746 7.647 4.984 1.00 0.78 H new ATOM 0 HG2 LYS A 69 8.184 8.052 2.879 1.00 0.81 H new ATOM 0 HG3 LYS A 69 6.686 8.371 2.028 1.00 0.81 H new ATOM 0 HD2 LYS A 69 6.124 10.119 3.801 1.00 1.88 H new ATOM 0 HD3 LYS A 69 7.710 9.859 4.500 1.00 1.88 H new ATOM 0 HE2 LYS A 69 8.778 10.530 2.343 1.00 2.94 H new ATOM 0 HE3 LYS A 69 7.196 10.772 1.630 1.00 2.94 H new ATOM 0 HZ1 LYS A 69 8.139 12.850 2.395 1.00 4.02 H new ATOM 0 HZ2 LYS A 69 6.741 12.484 3.286 1.00 4.02 H new ATOM 0 HZ3 LYS A 69 8.274 12.249 3.978 1.00 4.02 H new ATOM 1104 N GLY A 70 5.096 4.331 4.768 1.00 0.45 N ATOM 1105 CA GLY A 70 4.814 3.237 5.685 1.00 0.50 C ATOM 1106 C GLY A 70 5.693 2.027 5.419 1.00 0.48 C ATOM 1107 O GLY A 70 6.383 1.557 6.319 1.00 0.75 O ATOM 0 H GLY A 70 4.411 4.425 4.018 1.00 0.45 H new ATOM 0 HA2 GLY A 70 4.965 3.576 6.710 1.00 0.50 H new ATOM 0 HA3 GLY A 70 3.766 2.950 5.595 1.00 0.50 H new ATOM 1111 N PHE A 71 5.664 1.530 4.182 1.00 0.38 N ATOM 1112 CA PHE A 71 6.450 0.377 3.762 1.00 0.38 C ATOM 1113 C PHE A 71 7.940 0.525 4.087 1.00 0.41 C ATOM 1114 O PHE A 71 8.505 -0.413 4.648 1.00 0.53 O ATOM 1115 CB PHE A 71 6.200 0.064 2.281 1.00 0.38 C ATOM 1116 CG PHE A 71 4.919 -0.713 2.053 1.00 0.55 C ATOM 1117 CD1 PHE A 71 3.678 -0.050 1.986 1.00 1.47 C ATOM 1118 CD2 PHE A 71 4.968 -2.113 1.913 1.00 1.87 C ATOM 1119 CE1 PHE A 71 2.503 -0.788 1.763 1.00 1.52 C ATOM 1120 CE2 PHE A 71 3.788 -2.849 1.715 1.00 2.00 C ATOM 1121 CZ PHE A 71 2.551 -2.188 1.643 1.00 1.00 C ATOM 0 H PHE A 71 5.087 1.923 3.438 1.00 0.38 H new ATOM 0 HA PHE A 71 6.112 -0.480 4.345 1.00 0.38 H new ATOM 0 HB2 PHE A 71 6.158 0.997 1.719 1.00 0.38 H new ATOM 0 HB3 PHE A 71 7.041 -0.507 1.888 1.00 0.38 H new ATOM 0 HD1 PHE A 71 3.630 1.022 2.106 1.00 1.47 H new ATOM 0 HD2 PHE A 71 5.918 -2.624 1.958 1.00 1.87 H new ATOM 0 HE1 PHE A 71 1.556 -0.276 1.683 1.00 1.52 H new ATOM 0 HE2 PHE A 71 3.832 -3.924 1.618 1.00 2.00 H new ATOM 0 HZ PHE A 71 1.642 -2.752 1.496 1.00 1.00 H new ATOM 1131 N SER A 72 8.574 1.661 3.747 1.00 0.35 N ATOM 1132 CA SER A 72 9.997 1.914 4.013 1.00 0.37 C ATOM 1133 C SER A 72 10.418 3.325 3.567 1.00 0.41 C ATOM 1134 O SER A 72 9.618 4.033 2.952 1.00 0.46 O ATOM 1135 CB SER A 72 10.816 0.860 3.261 1.00 0.40 C ATOM 1136 OG SER A 72 11.621 0.135 4.165 1.00 0.82 O ATOM 0 H SER A 72 8.107 2.435 3.275 1.00 0.35 H new ATOM 0 HA SER A 72 10.176 1.850 5.086 1.00 0.37 H new ATOM 0 HB2 SER A 72 10.149 0.180 2.731 1.00 0.40 H new ATOM 0 HB3 SER A 72 11.442 1.342 2.511 1.00 0.40 H new ATOM 0 HG SER A 72 11.050 -0.392 4.762 1.00 0.82 H new ATOM 1142 N PRO A 73 11.665 3.768 3.827 1.00 0.42 N ATOM 1143 CA PRO A 73 12.187 4.981 3.214 1.00 0.47 C ATOM 1144 C PRO A 73 12.462 4.798 1.708 1.00 0.46 C ATOM 1145 O PRO A 73 12.364 3.710 1.145 1.00 0.44 O ATOM 1146 CB PRO A 73 13.439 5.335 4.020 1.00 0.52 C ATOM 1147 CG PRO A 73 13.952 3.976 4.486 1.00 0.50 C ATOM 1148 CD PRO A 73 12.675 3.161 4.685 1.00 0.45 C ATOM 0 HA PRO A 73 11.465 5.797 3.247 1.00 0.47 H new ATOM 0 HB2 PRO A 73 14.177 5.856 3.409 1.00 0.52 H new ATOM 0 HB3 PRO A 73 13.205 5.987 4.862 1.00 0.52 H new ATOM 0 HG2 PRO A 73 14.608 3.519 3.745 1.00 0.50 H new ATOM 0 HG3 PRO A 73 14.524 4.058 5.410 1.00 0.50 H new ATOM 0 HD2 PRO A 73 12.835 2.116 4.418 1.00 0.45 H new ATOM 0 HD3 PRO A 73 12.361 3.179 5.729 1.00 0.45 H new ATOM 1156 N ASP A 74 12.758 5.928 1.065 1.00 0.54 N ATOM 1157 CA ASP A 74 12.824 6.162 -0.389 1.00 0.59 C ATOM 1158 C ASP A 74 11.519 5.854 -1.147 1.00 0.57 C ATOM 1159 O ASP A 74 11.492 5.710 -2.362 1.00 0.72 O ATOM 1160 CB ASP A 74 14.091 5.565 -1.031 1.00 0.80 C ATOM 1161 CG ASP A 74 14.509 6.354 -2.281 1.00 1.56 C ATOM 1162 OD1 ASP A 74 14.350 7.602 -2.276 1.00 2.61 O ATOM 1163 OD2 ASP A 74 15.010 5.734 -3.240 1.00 2.45 O ATOM 0 H ASP A 74 12.977 6.777 1.586 1.00 0.54 H new ATOM 0 HA ASP A 74 12.925 7.242 -0.501 1.00 0.59 H new ATOM 0 HB2 ASP A 74 14.905 5.570 -0.306 1.00 0.80 H new ATOM 0 HB3 ASP A 74 13.909 4.524 -1.299 1.00 0.80 H new ATOM 1168 N ALA A 75 10.422 5.849 -0.393 1.00 0.59 N ATOM 1169 CA ALA A 75 9.021 5.844 -0.778 1.00 0.63 C ATOM 1170 C ALA A 75 8.625 6.837 -1.879 1.00 0.74 C ATOM 1171 O ALA A 75 7.977 6.459 -2.852 1.00 1.65 O ATOM 1172 CB ALA A 75 8.298 6.215 0.512 1.00 0.66 C ATOM 0 H ALA A 75 10.510 5.848 0.623 1.00 0.59 H new ATOM 0 HA ALA A 75 8.769 4.873 -1.205 1.00 0.63 H new ATOM 0 HB1 ALA A 75 7.223 6.240 0.332 1.00 0.66 H new ATOM 0 HB2 ALA A 75 8.520 5.474 1.280 1.00 0.66 H new ATOM 0 HB3 ALA A 75 8.633 7.197 0.847 1.00 0.66 H new ATOM 1178 N ARG A 76 9.004 8.108 -1.687 1.00 0.62 N ATOM 1179 CA ARG A 76 8.701 9.265 -2.547 1.00 0.54 C ATOM 1180 C ARG A 76 7.197 9.588 -2.597 1.00 0.57 C ATOM 1181 O ARG A 76 6.412 9.056 -1.812 1.00 0.97 O ATOM 1182 CB ARG A 76 9.362 9.122 -3.945 1.00 0.63 C ATOM 1183 CG ARG A 76 10.689 8.340 -3.896 1.00 0.73 C ATOM 1184 CD ARG A 76 11.718 8.672 -4.982 1.00 0.95 C ATOM 1185 NE ARG A 76 13.058 8.778 -4.373 1.00 1.62 N ATOM 1186 CZ ARG A 76 13.979 9.711 -4.536 1.00 1.96 C ATOM 1187 NH1 ARG A 76 13.933 10.584 -5.514 1.00 2.30 N ATOM 1188 NH2 ARG A 76 14.966 9.762 -3.681 1.00 2.66 N ATOM 0 H ARG A 76 9.565 8.374 -0.878 1.00 0.62 H new ATOM 0 HA ARG A 76 9.156 10.143 -2.088 1.00 0.54 H new ATOM 0 HB2 ARG A 76 8.671 8.616 -4.619 1.00 0.63 H new ATOM 0 HB3 ARG A 76 9.544 10.113 -4.360 1.00 0.63 H new ATOM 0 HG2 ARG A 76 11.151 8.512 -2.924 1.00 0.73 H new ATOM 0 HG3 ARG A 76 10.461 7.276 -3.956 1.00 0.73 H new ATOM 0 HD2 ARG A 76 11.716 7.898 -5.749 1.00 0.95 H new ATOM 0 HD3 ARG A 76 11.455 9.609 -5.473 1.00 0.95 H new ATOM 0 HE ARG A 76 13.309 8.023 -3.735 1.00 1.62 H new ATOM 0 HH11 ARG A 76 13.165 10.558 -6.185 1.00 2.30 H new ATOM 0 HH12 ARG A 76 14.665 11.288 -5.604 1.00 2.30 H new ATOM 0 HH21 ARG A 76 15.011 9.092 -2.913 1.00 2.66 H new ATOM 0 HH22 ARG A 76 15.692 10.472 -3.782 1.00 2.66 H new ATOM 1202 N ASP A 77 6.826 10.530 -3.465 1.00 0.45 N ATOM 1203 CA ASP A 77 5.453 10.976 -3.702 1.00 0.48 C ATOM 1204 C ASP A 77 5.002 10.481 -5.087 1.00 0.39 C ATOM 1205 O ASP A 77 5.611 10.820 -6.102 1.00 0.49 O ATOM 1206 CB ASP A 77 5.387 12.507 -3.551 1.00 0.68 C ATOM 1207 CG ASP A 77 3.961 13.023 -3.332 1.00 2.54 C ATOM 1208 OD1 ASP A 77 3.326 12.539 -2.369 1.00 4.09 O ATOM 1209 OD2 ASP A 77 3.552 13.937 -4.080 1.00 3.33 O ATOM 0 H ASP A 77 7.503 11.024 -4.047 1.00 0.45 H new ATOM 0 HA ASP A 77 4.764 10.555 -2.970 1.00 0.48 H new ATOM 0 HB2 ASP A 77 6.011 12.812 -2.711 1.00 0.68 H new ATOM 0 HB3 ASP A 77 5.804 12.974 -4.444 1.00 0.68 H new ATOM 1214 N LEU A 78 3.990 9.610 -5.107 1.00 0.36 N ATOM 1215 CA LEU A 78 3.378 9.023 -6.299 1.00 0.41 C ATOM 1216 C LEU A 78 2.747 10.079 -7.216 1.00 0.34 C ATOM 1217 O LEU A 78 2.338 11.156 -6.783 1.00 0.37 O ATOM 1218 CB LEU A 78 2.292 8.002 -5.891 1.00 0.53 C ATOM 1219 CG LEU A 78 2.772 6.818 -5.030 1.00 0.75 C ATOM 1220 CD1 LEU A 78 1.643 5.798 -4.870 1.00 1.20 C ATOM 1221 CD2 LEU A 78 3.982 6.123 -5.657 1.00 1.39 C ATOM 0 H LEU A 78 3.554 9.279 -4.247 1.00 0.36 H new ATOM 0 HA LEU A 78 4.178 8.530 -6.852 1.00 0.41 H new ATOM 0 HB2 LEU A 78 1.511 8.530 -5.345 1.00 0.53 H new ATOM 0 HB3 LEU A 78 1.835 7.605 -6.797 1.00 0.53 H new ATOM 0 HG LEU A 78 3.063 7.215 -4.057 1.00 0.75 H new ATOM 0 HD11 LEU A 78 1.990 4.964 -4.260 1.00 1.20 H new ATOM 0 HD12 LEU A 78 0.790 6.272 -4.385 1.00 1.20 H new ATOM 0 HD13 LEU A 78 1.343 5.430 -5.851 1.00 1.20 H new ATOM 0 HD21 LEU A 78 4.294 5.293 -5.023 1.00 1.39 H new ATOM 0 HD22 LEU A 78 3.714 5.745 -6.644 1.00 1.39 H new ATOM 0 HD23 LEU A 78 4.802 6.835 -5.752 1.00 1.39 H new ATOM 1233 N SER A 79 2.594 9.728 -8.497 1.00 0.37 N ATOM 1234 CA SER A 79 1.885 10.576 -9.455 1.00 0.36 C ATOM 1235 C SER A 79 0.404 10.732 -9.088 1.00 0.36 C ATOM 1236 O SER A 79 -0.247 9.806 -8.606 1.00 0.39 O ATOM 1237 CB SER A 79 2.042 9.991 -10.858 1.00 0.43 C ATOM 1238 OG SER A 79 1.146 10.577 -11.782 1.00 1.14 O ATOM 0 H SER A 79 2.954 8.860 -8.893 1.00 0.37 H new ATOM 0 HA SER A 79 2.323 11.574 -9.427 1.00 0.36 H new ATOM 0 HB2 SER A 79 3.066 10.142 -11.201 1.00 0.43 H new ATOM 0 HB3 SER A 79 1.873 8.915 -10.823 1.00 0.43 H new ATOM 0 HG SER A 79 0.898 9.916 -12.462 1.00 1.14 H new ATOM 1244 N ALA A 80 -0.164 11.896 -9.415 1.00 0.40 N ATOM 1245 CA ALA A 80 -1.591 12.179 -9.302 1.00 0.46 C ATOM 1246 C ALA A 80 -2.457 11.140 -10.029 1.00 0.47 C ATOM 1247 O ALA A 80 -3.497 10.717 -9.522 1.00 0.64 O ATOM 1248 CB ALA A 80 -1.830 13.559 -9.912 1.00 0.56 C ATOM 0 H ALA A 80 0.373 12.685 -9.774 1.00 0.40 H new ATOM 0 HA ALA A 80 -1.876 12.143 -8.251 1.00 0.46 H new ATOM 0 HB1 ALA A 80 -2.889 13.807 -9.846 1.00 0.56 H new ATOM 0 HB2 ALA A 80 -1.248 14.303 -9.368 1.00 0.56 H new ATOM 0 HB3 ALA A 80 -1.523 13.553 -10.958 1.00 0.56 H new ATOM 1254 N LYS A 81 -2.020 10.723 -11.225 1.00 0.38 N ATOM 1255 CA LYS A 81 -2.717 9.732 -12.050 1.00 0.40 C ATOM 1256 C LYS A 81 -2.701 8.366 -11.370 1.00 0.43 C ATOM 1257 O LYS A 81 -3.716 7.673 -11.361 1.00 0.47 O ATOM 1258 CB LYS A 81 -2.079 9.640 -13.445 1.00 0.46 C ATOM 1259 CG LYS A 81 -1.812 11.015 -14.083 1.00 0.51 C ATOM 1260 CD LYS A 81 -1.285 10.927 -15.519 1.00 1.87 C ATOM 1261 CE LYS A 81 -2.302 10.350 -16.508 1.00 2.57 C ATOM 1262 NZ LYS A 81 -1.636 10.001 -17.784 1.00 4.38 N ATOM 0 H LYS A 81 -1.161 11.070 -11.651 1.00 0.38 H new ATOM 0 HA LYS A 81 -3.752 10.052 -12.166 1.00 0.40 H new ATOM 0 HB2 LYS A 81 -1.139 9.092 -13.372 1.00 0.46 H new ATOM 0 HB3 LYS A 81 -2.734 9.064 -14.099 1.00 0.46 H new ATOM 0 HG2 LYS A 81 -2.735 11.595 -14.077 1.00 0.51 H new ATOM 0 HG3 LYS A 81 -1.091 11.557 -13.472 1.00 0.51 H new ATOM 0 HD2 LYS A 81 -0.991 11.923 -15.852 1.00 1.87 H new ATOM 0 HD3 LYS A 81 -0.387 10.309 -15.531 1.00 1.87 H new ATOM 0 HE2 LYS A 81 -2.773 9.464 -16.081 1.00 2.57 H new ATOM 0 HE3 LYS A 81 -3.095 11.076 -16.690 1.00 2.57 H new ATOM 0 HZ1 LYS A 81 -2.337 9.611 -18.446 1.00 4.38 H new ATOM 0 HZ2 LYS A 81 -1.207 10.854 -18.197 1.00 4.38 H new ATOM 0 HZ3 LYS A 81 -0.895 9.293 -17.607 1.00 4.38 H new ATOM 1276 N GLU A 82 -1.563 8.037 -10.751 1.00 0.46 N ATOM 1277 CA GLU A 82 -1.378 6.886 -9.881 1.00 0.47 C ATOM 1278 C GLU A 82 -2.386 6.955 -8.742 1.00 0.45 C ATOM 1279 O GLU A 82 -3.275 6.119 -8.708 1.00 0.49 O ATOM 1280 CB GLU A 82 0.076 6.852 -9.383 1.00 0.54 C ATOM 1281 CG GLU A 82 0.640 5.439 -9.354 1.00 0.85 C ATOM 1282 CD GLU A 82 2.158 5.424 -9.156 1.00 2.06 C ATOM 1283 OE1 GLU A 82 2.829 6.314 -9.739 1.00 3.52 O ATOM 1284 OE2 GLU A 82 2.619 4.497 -8.459 1.00 2.83 O ATOM 0 H GLU A 82 -0.714 8.593 -10.851 1.00 0.46 H new ATOM 0 HA GLU A 82 -1.557 5.957 -10.422 1.00 0.47 H new ATOM 0 HB2 GLU A 82 0.694 7.475 -10.029 1.00 0.54 H new ATOM 0 HB3 GLU A 82 0.126 7.282 -8.383 1.00 0.54 H new ATOM 0 HG2 GLU A 82 0.165 4.877 -8.550 1.00 0.85 H new ATOM 0 HG3 GLU A 82 0.392 4.932 -10.287 1.00 0.85 H new ATOM 1291 N THR A 83 -2.318 7.995 -7.898 1.00 0.45 N ATOM 1292 CA THR A 83 -3.240 8.307 -6.795 1.00 0.44 C ATOM 1293 C THR A 83 -4.712 8.120 -7.178 1.00 0.46 C ATOM 1294 O THR A 83 -5.437 7.427 -6.465 1.00 0.49 O ATOM 1295 CB THR A 83 -2.928 9.724 -6.275 1.00 0.57 C ATOM 1296 OG1 THR A 83 -1.758 9.637 -5.501 1.00 1.68 O ATOM 1297 CG2 THR A 83 -3.999 10.389 -5.406 1.00 1.36 C ATOM 0 H THR A 83 -1.570 8.685 -7.972 1.00 0.45 H new ATOM 0 HA THR A 83 -3.080 7.593 -5.987 1.00 0.44 H new ATOM 0 HB THR A 83 -2.849 10.348 -7.165 1.00 0.57 H new ATOM 0 HG1 THR A 83 -1.528 10.524 -5.154 1.00 1.68 H new ATOM 0 HG21 THR A 83 -3.659 11.380 -5.105 1.00 1.36 H new ATOM 0 HG22 THR A 83 -4.924 10.480 -5.975 1.00 1.36 H new ATOM 0 HG23 THR A 83 -4.177 9.781 -4.519 1.00 1.36 H new ATOM 1305 N LYS A 84 -5.169 8.684 -8.306 1.00 0.47 N ATOM 1306 CA LYS A 84 -6.550 8.515 -8.790 1.00 0.52 C ATOM 1307 C LYS A 84 -6.901 7.047 -9.071 1.00 0.53 C ATOM 1308 O LYS A 84 -7.933 6.567 -8.598 1.00 0.62 O ATOM 1309 CB LYS A 84 -6.793 9.406 -10.018 1.00 0.55 C ATOM 1310 CG LYS A 84 -6.834 10.888 -9.604 1.00 1.63 C ATOM 1311 CD LYS A 84 -6.915 11.848 -10.797 1.00 1.75 C ATOM 1312 CE LYS A 84 -8.338 11.909 -11.363 1.00 1.87 C ATOM 1313 NZ LYS A 84 -8.463 12.967 -12.393 1.00 2.07 N ATOM 0 H LYS A 84 -4.593 9.270 -8.909 1.00 0.47 H new ATOM 0 HA LYS A 84 -7.222 8.834 -7.993 1.00 0.52 H new ATOM 0 HB2 LYS A 84 -6.003 9.248 -10.752 1.00 0.55 H new ATOM 0 HB3 LYS A 84 -7.732 9.129 -10.496 1.00 0.55 H new ATOM 0 HG2 LYS A 84 -7.694 11.053 -8.954 1.00 1.63 H new ATOM 0 HG3 LYS A 84 -5.944 11.120 -9.020 1.00 1.63 H new ATOM 0 HD2 LYS A 84 -6.601 12.845 -10.487 1.00 1.75 H new ATOM 0 HD3 LYS A 84 -6.225 11.524 -11.576 1.00 1.75 H new ATOM 0 HE2 LYS A 84 -8.601 10.944 -11.796 1.00 1.87 H new ATOM 0 HE3 LYS A 84 -9.045 12.099 -10.555 1.00 1.87 H new ATOM 0 HZ1 LYS A 84 -9.437 12.984 -12.757 1.00 2.07 H new ATOM 0 HZ2 LYS A 84 -8.235 13.890 -11.972 1.00 2.07 H new ATOM 0 HZ3 LYS A 84 -7.805 12.771 -13.174 1.00 2.07 H new ATOM 1327 N MET A 85 -6.040 6.319 -9.792 1.00 0.49 N ATOM 1328 CA MET A 85 -6.208 4.877 -10.011 1.00 0.59 C ATOM 1329 C MET A 85 -6.121 4.083 -8.697 1.00 0.56 C ATOM 1330 O MET A 85 -6.863 3.124 -8.507 1.00 0.73 O ATOM 1331 CB MET A 85 -5.158 4.376 -11.022 1.00 0.69 C ATOM 1332 CG MET A 85 -5.758 3.412 -12.051 1.00 1.37 C ATOM 1333 SD MET A 85 -6.929 4.205 -13.191 1.00 2.33 S ATOM 1334 CE MET A 85 -6.979 2.969 -14.514 1.00 2.35 C ATOM 0 H MET A 85 -5.211 6.711 -10.238 1.00 0.49 H new ATOM 0 HA MET A 85 -7.206 4.712 -10.418 1.00 0.59 H new ATOM 0 HB2 MET A 85 -4.718 5.229 -11.539 1.00 0.69 H new ATOM 0 HB3 MET A 85 -4.350 3.877 -10.487 1.00 0.69 H new ATOM 0 HG2 MET A 85 -4.951 2.961 -12.628 1.00 1.37 H new ATOM 0 HG3 MET A 85 -6.266 2.603 -11.526 1.00 1.37 H new ATOM 0 HE1 MET A 85 -7.657 3.304 -15.299 1.00 2.35 H new ATOM 0 HE2 MET A 85 -5.979 2.839 -14.929 1.00 2.35 H new ATOM 0 HE3 MET A 85 -7.331 2.019 -14.111 1.00 2.35 H new ATOM 1344 N LEU A 86 -5.241 4.506 -7.784 1.00 0.43 N ATOM 1345 CA LEU A 86 -4.961 3.933 -6.473 1.00 0.51 C ATOM 1346 C LEU A 86 -6.216 3.927 -5.601 1.00 0.46 C ATOM 1347 O LEU A 86 -6.603 2.863 -5.124 1.00 0.58 O ATOM 1348 CB LEU A 86 -3.797 4.718 -5.832 1.00 0.64 C ATOM 1349 CG LEU A 86 -2.950 3.931 -4.840 1.00 0.82 C ATOM 1350 CD1 LEU A 86 -1.682 4.719 -4.503 1.00 2.77 C ATOM 1351 CD2 LEU A 86 -3.691 3.513 -3.575 1.00 1.86 C ATOM 0 H LEU A 86 -4.661 5.326 -7.962 1.00 0.43 H new ATOM 0 HA LEU A 86 -4.660 2.890 -6.574 1.00 0.51 H new ATOM 0 HB2 LEU A 86 -3.148 5.087 -6.626 1.00 0.64 H new ATOM 0 HB3 LEU A 86 -4.206 5.591 -5.323 1.00 0.64 H new ATOM 0 HG LEU A 86 -2.686 2.995 -5.333 1.00 0.82 H new ATOM 0 HD11 LEU A 86 -1.079 4.152 -3.793 1.00 2.77 H new ATOM 0 HD12 LEU A 86 -1.107 4.889 -5.413 1.00 2.77 H new ATOM 0 HD13 LEU A 86 -1.956 5.678 -4.062 1.00 2.77 H new ATOM 0 HD21 LEU A 86 -3.015 2.958 -2.924 1.00 1.86 H new ATOM 0 HD22 LEU A 86 -4.050 4.400 -3.054 1.00 1.86 H new ATOM 0 HD23 LEU A 86 -4.538 2.881 -3.842 1.00 1.86 H new ATOM 1363 N MET A 87 -6.874 5.085 -5.426 1.00 0.44 N ATOM 1364 CA MET A 87 -8.159 5.152 -4.718 1.00 0.58 C ATOM 1365 C MET A 87 -9.225 4.318 -5.435 1.00 0.60 C ATOM 1366 O MET A 87 -9.843 3.465 -4.801 1.00 0.76 O ATOM 1367 CB MET A 87 -8.624 6.601 -4.459 1.00 0.75 C ATOM 1368 CG MET A 87 -8.768 7.488 -5.704 1.00 1.90 C ATOM 1369 SD MET A 87 -9.267 9.199 -5.385 1.00 2.08 S ATOM 1370 CE MET A 87 -11.061 8.979 -5.257 1.00 1.99 C ATOM 0 H MET A 87 -6.536 5.985 -5.765 1.00 0.44 H new ATOM 0 HA MET A 87 -8.005 4.713 -3.732 1.00 0.58 H new ATOM 0 HB2 MET A 87 -9.585 6.568 -3.946 1.00 0.75 H new ATOM 0 HB3 MET A 87 -7.916 7.074 -3.779 1.00 0.75 H new ATOM 0 HG2 MET A 87 -7.816 7.498 -6.234 1.00 1.90 H new ATOM 0 HG3 MET A 87 -9.500 7.032 -6.371 1.00 1.90 H new ATOM 0 HE1 MET A 87 -11.533 9.942 -5.060 1.00 1.99 H new ATOM 0 HE2 MET A 87 -11.445 8.571 -6.192 1.00 1.99 H new ATOM 0 HE3 MET A 87 -11.286 8.291 -4.442 1.00 1.99 H new ATOM 1380 N ALA A 88 -9.411 4.521 -6.748 1.00 0.57 N ATOM 1381 CA ALA A 88 -10.469 3.876 -7.524 1.00 0.68 C ATOM 1382 C ALA A 88 -10.369 2.343 -7.518 1.00 0.67 C ATOM 1383 O ALA A 88 -11.384 1.667 -7.376 1.00 0.81 O ATOM 1384 CB ALA A 88 -10.435 4.427 -8.952 1.00 0.80 C ATOM 0 H ALA A 88 -8.823 5.144 -7.302 1.00 0.57 H new ATOM 0 HA ALA A 88 -11.425 4.108 -7.055 1.00 0.68 H new ATOM 0 HB1 ALA A 88 -11.219 3.954 -9.543 1.00 0.80 H new ATOM 0 HB2 ALA A 88 -10.597 5.505 -8.930 1.00 0.80 H new ATOM 0 HB3 ALA A 88 -9.465 4.215 -9.401 1.00 0.80 H new ATOM 1390 N ALA A 89 -9.156 1.791 -7.656 1.00 0.56 N ATOM 1391 CA ALA A 89 -8.908 0.365 -7.510 1.00 0.50 C ATOM 1392 C ALA A 89 -8.953 -0.064 -6.040 1.00 0.42 C ATOM 1393 O ALA A 89 -9.669 -1.002 -5.718 1.00 0.68 O ATOM 1394 CB ALA A 89 -7.565 0.003 -8.156 1.00 0.70 C ATOM 0 H ALA A 89 -8.319 2.332 -7.874 1.00 0.56 H new ATOM 0 HA ALA A 89 -9.701 -0.179 -8.024 1.00 0.50 H new ATOM 0 HB1 ALA A 89 -7.384 -1.066 -8.044 1.00 0.70 H new ATOM 0 HB2 ALA A 89 -7.590 0.258 -9.216 1.00 0.70 H new ATOM 0 HB3 ALA A 89 -6.765 0.560 -7.668 1.00 0.70 H new ATOM 1400 N GLY A 90 -8.193 0.581 -5.147 1.00 0.40 N ATOM 1401 CA GLY A 90 -8.004 0.140 -3.764 1.00 0.47 C ATOM 1402 C GLY A 90 -9.276 0.127 -2.913 1.00 0.42 C ATOM 1403 O GLY A 90 -9.393 -0.680 -1.994 1.00 0.55 O ATOM 0 H GLY A 90 -7.685 1.437 -5.371 1.00 0.40 H new ATOM 0 HA2 GLY A 90 -7.580 -0.864 -3.773 1.00 0.47 H new ATOM 0 HA3 GLY A 90 -7.272 0.791 -3.287 1.00 0.47 H new ATOM 1407 N ASP A 91 -10.242 0.990 -3.224 1.00 0.48 N ATOM 1408 CA ASP A 91 -11.554 1.054 -2.589 1.00 0.46 C ATOM 1409 C ASP A 91 -12.596 0.144 -3.295 1.00 0.50 C ATOM 1410 O ASP A 91 -13.703 0.578 -3.601 1.00 0.69 O ATOM 1411 CB ASP A 91 -11.966 2.525 -2.588 1.00 0.60 C ATOM 1412 CG ASP A 91 -13.273 2.704 -1.845 1.00 0.77 C ATOM 1413 OD1 ASP A 91 -13.306 2.419 -0.624 1.00 0.98 O ATOM 1414 OD2 ASP A 91 -14.235 3.177 -2.480 1.00 1.22 O ATOM 0 H ASP A 91 -10.125 1.692 -3.955 1.00 0.48 H new ATOM 0 HA ASP A 91 -11.507 0.672 -1.569 1.00 0.46 H new ATOM 0 HB2 ASP A 91 -11.188 3.127 -2.119 1.00 0.60 H new ATOM 0 HB3 ASP A 91 -12.071 2.881 -3.613 1.00 0.60 H new ATOM 1419 N LYS A 92 -12.281 -1.130 -3.584 1.00 0.62 N ATOM 1420 CA LYS A 92 -13.162 -2.003 -4.399 1.00 0.79 C ATOM 1421 C LYS A 92 -14.622 -2.133 -3.919 1.00 0.84 C ATOM 1422 O LYS A 92 -15.475 -2.508 -4.719 1.00 1.09 O ATOM 1423 CB LYS A 92 -12.565 -3.411 -4.564 1.00 1.03 C ATOM 1424 CG LYS A 92 -11.436 -3.462 -5.612 1.00 2.22 C ATOM 1425 CD LYS A 92 -11.144 -4.851 -6.205 1.00 2.86 C ATOM 1426 CE LYS A 92 -10.124 -4.716 -7.351 1.00 3.86 C ATOM 1427 NZ LYS A 92 -9.586 -6.029 -7.794 1.00 4.62 N ATOM 0 H LYS A 92 -11.424 -1.584 -3.268 1.00 0.62 H new ATOM 0 HA LYS A 92 -13.207 -1.481 -5.355 1.00 0.79 H new ATOM 0 HB2 LYS A 92 -12.179 -3.752 -3.603 1.00 1.03 H new ATOM 0 HB3 LYS A 92 -13.355 -4.104 -4.854 1.00 1.03 H new ATOM 0 HG2 LYS A 92 -11.690 -2.784 -6.427 1.00 2.22 H new ATOM 0 HG3 LYS A 92 -10.522 -3.082 -5.155 1.00 2.22 H new ATOM 0 HD2 LYS A 92 -10.753 -5.513 -5.432 1.00 2.86 H new ATOM 0 HD3 LYS A 92 -12.065 -5.301 -6.575 1.00 2.86 H new ATOM 0 HE2 LYS A 92 -10.597 -4.217 -8.197 1.00 3.86 H new ATOM 0 HE3 LYS A 92 -9.300 -4.081 -7.026 1.00 3.86 H new ATOM 0 HZ1 LYS A 92 -8.905 -5.882 -8.566 1.00 4.62 H new ATOM 0 HZ2 LYS A 92 -9.110 -6.496 -6.996 1.00 4.62 H new ATOM 0 HZ3 LYS A 92 -10.367 -6.628 -8.130 1.00 4.62 H new ATOM 1441 N ASP A 93 -14.926 -1.843 -2.650 1.00 0.79 N ATOM 1442 CA ASP A 93 -16.285 -1.862 -2.104 1.00 0.98 C ATOM 1443 C ASP A 93 -17.086 -0.559 -2.329 1.00 0.80 C ATOM 1444 O ASP A 93 -18.315 -0.624 -2.345 1.00 1.04 O ATOM 1445 CB ASP A 93 -16.183 -2.138 -0.602 1.00 1.29 C ATOM 1446 CG ASP A 93 -15.496 -0.965 0.088 1.00 1.69 C ATOM 1447 OD1 ASP A 93 -16.172 0.004 0.471 1.00 2.45 O ATOM 1448 OD2 ASP A 93 -14.247 -0.950 0.182 1.00 3.34 O ATOM 0 H ASP A 93 -14.220 -1.584 -1.961 1.00 0.79 H new ATOM 0 HA ASP A 93 -16.833 -2.639 -2.637 1.00 0.98 H new ATOM 0 HB2 ASP A 93 -17.177 -2.289 -0.181 1.00 1.29 H new ATOM 0 HB3 ASP A 93 -15.621 -3.055 -0.428 1.00 1.29 H new ATOM 1453 N GLY A 94 -16.426 0.602 -2.492 1.00 0.55 N ATOM 1454 CA GLY A 94 -17.082 1.902 -2.667 1.00 0.61 C ATOM 1455 C GLY A 94 -17.088 2.896 -1.484 1.00 0.63 C ATOM 1456 O GLY A 94 -17.741 3.930 -1.626 1.00 0.86 O ATOM 0 H GLY A 94 -15.408 0.660 -2.505 1.00 0.55 H new ATOM 0 HA2 GLY A 94 -16.609 2.399 -3.514 1.00 0.61 H new ATOM 0 HA3 GLY A 94 -18.119 1.714 -2.946 1.00 0.61 H new ATOM 1460 N ASP A 95 -16.408 2.663 -0.342 1.00 0.61 N ATOM 1461 CA ASP A 95 -16.341 3.680 0.755 1.00 0.72 C ATOM 1462 C ASP A 95 -15.720 5.037 0.338 1.00 0.74 C ATOM 1463 O ASP A 95 -16.003 6.080 0.930 1.00 1.00 O ATOM 1464 CB ASP A 95 -15.451 3.257 1.942 1.00 0.79 C ATOM 1465 CG ASP A 95 -15.846 2.027 2.745 1.00 1.03 C ATOM 1466 OD1 ASP A 95 -16.981 1.971 3.255 1.00 1.85 O ATOM 1467 OD2 ASP A 95 -14.904 1.208 2.926 1.00 1.10 O ATOM 0 H ASP A 95 -15.902 1.799 -0.147 1.00 0.61 H new ATOM 0 HA ASP A 95 -17.395 3.768 1.018 1.00 0.72 H new ATOM 0 HB2 ASP A 95 -14.444 3.093 1.559 1.00 0.79 H new ATOM 0 HB3 ASP A 95 -15.396 4.099 2.632 1.00 0.79 H new ATOM 1472 N GLY A 96 -14.781 4.988 -0.605 1.00 0.65 N ATOM 1473 CA GLY A 96 -13.839 6.005 -1.063 1.00 0.74 C ATOM 1474 C GLY A 96 -12.486 6.039 -0.334 1.00 0.61 C ATOM 1475 O GLY A 96 -11.757 7.019 -0.478 1.00 0.94 O ATOM 0 H GLY A 96 -14.647 4.124 -1.131 1.00 0.65 H new ATOM 0 HA2 GLY A 96 -13.654 5.850 -2.126 1.00 0.74 H new ATOM 0 HA3 GLY A 96 -14.310 6.982 -0.961 1.00 0.74 H new ATOM 1479 N LYS A 97 -12.138 5.006 0.449 1.00 0.31 N ATOM 1480 CA LYS A 97 -10.883 4.868 1.210 1.00 0.34 C ATOM 1481 C LYS A 97 -10.424 3.412 1.224 1.00 0.33 C ATOM 1482 O LYS A 97 -11.241 2.510 1.398 1.00 0.38 O ATOM 1483 CB LYS A 97 -11.108 5.293 2.666 1.00 0.43 C ATOM 1484 CG LYS A 97 -11.179 6.812 2.821 1.00 0.56 C ATOM 1485 CD LYS A 97 -12.568 7.442 2.726 1.00 1.10 C ATOM 1486 CE LYS A 97 -13.186 7.723 4.105 1.00 1.73 C ATOM 1487 NZ LYS A 97 -12.780 9.048 4.638 1.00 2.60 N ATOM 0 H LYS A 97 -12.754 4.203 0.576 1.00 0.31 H new ATOM 0 HA LYS A 97 -10.131 5.497 0.733 1.00 0.34 H new ATOM 0 HB2 LYS A 97 -12.033 4.849 3.033 1.00 0.43 H new ATOM 0 HB3 LYS A 97 -10.300 4.904 3.285 1.00 0.43 H new ATOM 0 HG2 LYS A 97 -10.749 7.077 3.787 1.00 0.56 H new ATOM 0 HG3 LYS A 97 -10.547 7.263 2.056 1.00 0.56 H new ATOM 0 HD2 LYS A 97 -12.502 8.374 2.165 1.00 1.10 H new ATOM 0 HD3 LYS A 97 -13.226 6.778 2.166 1.00 1.10 H new ATOM 0 HE2 LYS A 97 -14.273 7.680 4.031 1.00 1.73 H new ATOM 0 HE3 LYS A 97 -12.883 6.943 4.804 1.00 1.73 H new ATOM 0 HZ1 LYS A 97 -13.369 9.286 5.462 1.00 2.60 H new ATOM 0 HZ2 LYS A 97 -11.781 9.016 4.925 1.00 2.60 H new ATOM 0 HZ3 LYS A 97 -12.906 9.772 3.902 1.00 2.60 H new ATOM 1501 N ILE A 98 -9.113 3.173 1.159 1.00 0.31 N ATOM 1502 CA ILE A 98 -8.562 1.824 1.354 1.00 0.29 C ATOM 1503 C ILE A 98 -8.788 1.407 2.810 1.00 0.30 C ATOM 1504 O ILE A 98 -8.272 2.053 3.726 1.00 0.29 O ATOM 1505 CB ILE A 98 -7.079 1.757 0.920 1.00 0.29 C ATOM 1506 CG1 ILE A 98 -7.044 1.665 -0.618 1.00 0.45 C ATOM 1507 CG2 ILE A 98 -6.311 0.564 1.529 1.00 0.35 C ATOM 1508 CD1 ILE A 98 -5.678 1.989 -1.221 1.00 0.37 C ATOM 0 H ILE A 98 -8.412 3.891 0.974 1.00 0.31 H new ATOM 0 HA ILE A 98 -9.081 1.109 0.715 1.00 0.29 H new ATOM 0 HB ILE A 98 -6.580 2.654 1.287 1.00 0.29 H new ATOM 0 HG12 ILE A 98 -7.335 0.659 -0.920 1.00 0.45 H new ATOM 0 HG13 ILE A 98 -7.785 2.349 -1.031 1.00 0.45 H new ATOM 0 HG21 ILE A 98 -5.278 0.581 1.181 1.00 0.35 H new ATOM 0 HG22 ILE A 98 -6.329 0.637 2.616 1.00 0.35 H new ATOM 0 HG23 ILE A 98 -6.783 -0.369 1.220 1.00 0.35 H new ATOM 0 HD11 ILE A 98 -5.730 1.904 -2.306 1.00 0.37 H new ATOM 0 HD12 ILE A 98 -5.393 3.006 -0.950 1.00 0.37 H new ATOM 0 HD13 ILE A 98 -4.936 1.289 -0.837 1.00 0.37 H new ATOM 1520 N GLY A 99 -9.563 0.330 2.997 1.00 0.42 N ATOM 1521 CA GLY A 99 -9.687 -0.397 4.258 1.00 0.50 C ATOM 1522 C GLY A 99 -8.913 -1.720 4.211 1.00 0.52 C ATOM 1523 O GLY A 99 -8.848 -2.385 3.178 1.00 0.58 O ATOM 0 H GLY A 99 -10.135 -0.067 2.252 1.00 0.42 H new ATOM 0 HA2 GLY A 99 -9.311 0.219 5.075 1.00 0.50 H new ATOM 0 HA3 GLY A 99 -10.739 -0.595 4.466 1.00 0.50 H new ATOM 1527 N VAL A 100 -8.324 -2.103 5.348 1.00 0.54 N ATOM 1528 CA VAL A 100 -7.377 -3.222 5.498 1.00 0.56 C ATOM 1529 C VAL A 100 -7.818 -4.558 4.879 1.00 0.52 C ATOM 1530 O VAL A 100 -7.051 -5.178 4.140 1.00 0.56 O ATOM 1531 CB VAL A 100 -7.003 -3.387 6.982 1.00 0.67 C ATOM 1532 CG1 VAL A 100 -8.160 -3.691 7.948 1.00 0.69 C ATOM 1533 CG2 VAL A 100 -5.916 -4.446 7.153 1.00 0.81 C ATOM 0 H VAL A 100 -8.499 -1.623 6.231 1.00 0.54 H new ATOM 0 HA VAL A 100 -6.501 -2.945 4.912 1.00 0.56 H new ATOM 0 HB VAL A 100 -6.645 -2.397 7.265 1.00 0.67 H new ATOM 0 HG11 VAL A 100 -7.772 -3.785 8.962 1.00 0.69 H new ATOM 0 HG12 VAL A 100 -8.887 -2.880 7.912 1.00 0.69 H new ATOM 0 HG13 VAL A 100 -8.642 -4.624 7.656 1.00 0.69 H new ATOM 0 HG21 VAL A 100 -5.668 -4.545 8.210 1.00 0.81 H new ATOM 0 HG22 VAL A 100 -6.277 -5.402 6.773 1.00 0.81 H new ATOM 0 HG23 VAL A 100 -5.027 -4.147 6.598 1.00 0.81 H new ATOM 1543 N ASP A 101 -9.036 -5.006 5.190 1.00 0.53 N ATOM 1544 CA ASP A 101 -9.575 -6.302 4.768 1.00 0.56 C ATOM 1545 C ASP A 101 -9.791 -6.365 3.247 1.00 0.53 C ATOM 1546 O ASP A 101 -9.465 -7.364 2.597 1.00 0.57 O ATOM 1547 CB ASP A 101 -10.876 -6.540 5.542 1.00 0.62 C ATOM 1548 CG ASP A 101 -11.394 -7.964 5.345 1.00 0.90 C ATOM 1549 OD1 ASP A 101 -10.713 -8.883 5.851 1.00 1.90 O ATOM 1550 OD2 ASP A 101 -12.457 -8.105 4.706 1.00 2.30 O ATOM 0 H ASP A 101 -9.691 -4.466 5.755 1.00 0.53 H new ATOM 0 HA ASP A 101 -8.860 -7.093 4.994 1.00 0.56 H new ATOM 0 HB2 ASP A 101 -10.708 -6.357 6.603 1.00 0.62 H new ATOM 0 HB3 ASP A 101 -11.632 -5.828 5.212 1.00 0.62 H new ATOM 1555 N GLU A 102 -10.244 -5.246 2.662 1.00 0.49 N ATOM 1556 CA GLU A 102 -10.242 -5.066 1.213 1.00 0.48 C ATOM 1557 C GLU A 102 -8.805 -5.151 0.706 1.00 0.50 C ATOM 1558 O GLU A 102 -8.503 -5.990 -0.133 1.00 0.56 O ATOM 1559 CB GLU A 102 -10.853 -3.722 0.778 1.00 0.56 C ATOM 1560 CG GLU A 102 -12.210 -3.387 1.405 1.00 0.66 C ATOM 1561 CD GLU A 102 -12.122 -2.141 2.293 1.00 0.92 C ATOM 1562 OE1 GLU A 102 -11.788 -1.038 1.783 1.00 1.00 O ATOM 1563 OE2 GLU A 102 -12.503 -2.207 3.474 1.00 2.30 O ATOM 0 H GLU A 102 -10.618 -4.450 3.180 1.00 0.49 H new ATOM 0 HA GLU A 102 -10.859 -5.855 0.784 1.00 0.48 H new ATOM 0 HB2 GLU A 102 -10.151 -2.926 1.024 1.00 0.56 H new ATOM 0 HB3 GLU A 102 -10.963 -3.726 -0.306 1.00 0.56 H new ATOM 0 HG2 GLU A 102 -12.946 -3.224 0.618 1.00 0.66 H new ATOM 0 HG3 GLU A 102 -12.558 -4.234 1.997 1.00 0.66 H new ATOM 1570 N PHE A 103 -7.913 -4.307 1.236 1.00 0.54 N ATOM 1571 CA PHE A 103 -6.542 -4.124 0.766 1.00 0.63 C ATOM 1572 C PHE A 103 -5.733 -5.429 0.698 1.00 0.61 C ATOM 1573 O PHE A 103 -4.998 -5.654 -0.262 1.00 0.64 O ATOM 1574 CB PHE A 103 -5.868 -3.087 1.670 1.00 0.82 C ATOM 1575 CG PHE A 103 -4.698 -2.351 1.051 1.00 0.54 C ATOM 1576 CD1 PHE A 103 -4.772 -1.817 -0.253 1.00 1.78 C ATOM 1577 CD2 PHE A 103 -3.538 -2.156 1.817 1.00 1.68 C ATOM 1578 CE1 PHE A 103 -3.676 -1.127 -0.797 1.00 2.14 C ATOM 1579 CE2 PHE A 103 -2.434 -1.501 1.257 1.00 1.95 C ATOM 1580 CZ PHE A 103 -2.499 -0.977 -0.047 1.00 1.64 C ATOM 0 H PHE A 103 -8.138 -3.712 2.033 1.00 0.54 H new ATOM 0 HA PHE A 103 -6.575 -3.771 -0.265 1.00 0.63 H new ATOM 0 HB2 PHE A 103 -6.616 -2.355 1.976 1.00 0.82 H new ATOM 0 HB3 PHE A 103 -5.523 -3.587 2.575 1.00 0.82 H new ATOM 0 HD1 PHE A 103 -5.674 -1.939 -0.834 1.00 1.78 H new ATOM 0 HD2 PHE A 103 -3.497 -2.510 2.836 1.00 1.68 H new ATOM 0 HE1 PHE A 103 -3.739 -0.712 -1.792 1.00 2.14 H new ATOM 0 HE2 PHE A 103 -1.525 -1.397 1.831 1.00 1.95 H new ATOM 0 HZ PHE A 103 -1.648 -0.462 -0.469 1.00 1.64 H new ATOM 1590 N SER A 104 -5.925 -6.312 1.682 1.00 0.58 N ATOM 1591 CA SER A 104 -5.375 -7.670 1.738 1.00 0.59 C ATOM 1592 C SER A 104 -5.757 -8.548 0.543 1.00 0.56 C ATOM 1593 O SER A 104 -4.933 -9.303 0.028 1.00 0.79 O ATOM 1594 CB SER A 104 -5.904 -8.314 3.021 1.00 0.62 C ATOM 1595 OG SER A 104 -5.356 -9.599 3.211 1.00 0.95 O ATOM 0 H SER A 104 -6.494 -6.090 2.499 1.00 0.58 H new ATOM 0 HA SER A 104 -4.288 -7.594 1.716 1.00 0.59 H new ATOM 0 HB2 SER A 104 -5.660 -7.682 3.875 1.00 0.62 H new ATOM 0 HB3 SER A 104 -6.991 -8.383 2.975 1.00 0.62 H new ATOM 0 HG SER A 104 -5.710 -9.986 4.039 1.00 0.95 H new ATOM 1601 N THR A 105 -7.009 -8.450 0.089 1.00 0.45 N ATOM 1602 CA THR A 105 -7.596 -9.339 -0.918 1.00 0.44 C ATOM 1603 C THR A 105 -7.677 -8.690 -2.302 1.00 0.46 C ATOM 1604 O THR A 105 -7.624 -9.387 -3.314 1.00 0.48 O ATOM 1605 CB THR A 105 -8.957 -9.843 -0.426 1.00 0.44 C ATOM 1606 OG1 THR A 105 -9.835 -8.785 -0.099 1.00 0.44 O ATOM 1607 CG2 THR A 105 -8.771 -10.710 0.820 1.00 0.45 C ATOM 0 H THR A 105 -7.657 -7.735 0.418 1.00 0.45 H new ATOM 0 HA THR A 105 -6.935 -10.197 -1.045 1.00 0.44 H new ATOM 0 HB THR A 105 -9.394 -10.418 -1.242 1.00 0.44 H new ATOM 0 HG1 THR A 105 -9.593 -8.418 0.777 1.00 0.44 H new ATOM 0 HG21 THR A 105 -9.742 -11.065 1.165 1.00 0.45 H new ATOM 0 HG22 THR A 105 -8.138 -11.563 0.578 1.00 0.45 H new ATOM 0 HG23 THR A 105 -8.300 -10.120 1.607 1.00 0.45 H new ATOM 1615 N LEU A 106 -7.629 -7.356 -2.345 1.00 0.50 N ATOM 1616 CA LEU A 106 -7.448 -6.456 -3.491 1.00 0.56 C ATOM 1617 C LEU A 106 -6.424 -6.970 -4.506 1.00 0.48 C ATOM 1618 O LEU A 106 -6.611 -6.875 -5.719 1.00 0.60 O ATOM 1619 CB LEU A 106 -6.957 -5.093 -2.935 1.00 0.72 C ATOM 1620 CG LEU A 106 -7.692 -3.841 -3.411 1.00 1.04 C ATOM 1621 CD1 LEU A 106 -7.600 -3.720 -4.929 1.00 1.37 C ATOM 1622 CD2 LEU A 106 -9.133 -3.832 -2.906 1.00 2.55 C ATOM 0 H LEU A 106 -7.727 -6.820 -1.483 1.00 0.50 H new ATOM 0 HA LEU A 106 -8.400 -6.378 -4.016 1.00 0.56 H new ATOM 0 HB2 LEU A 106 -7.020 -5.129 -1.847 1.00 0.72 H new ATOM 0 HB3 LEU A 106 -5.903 -4.984 -3.190 1.00 0.72 H new ATOM 0 HG LEU A 106 -7.209 -2.960 -2.988 1.00 1.04 H new ATOM 0 HD11 LEU A 106 -8.128 -2.824 -5.255 1.00 1.37 H new ATOM 0 HD12 LEU A 106 -6.553 -3.653 -5.226 1.00 1.37 H new ATOM 0 HD13 LEU A 106 -8.053 -4.597 -5.392 1.00 1.37 H new ATOM 0 HD21 LEU A 106 -9.636 -2.931 -3.258 1.00 2.55 H new ATOM 0 HD22 LEU A 106 -9.656 -4.711 -3.283 1.00 2.55 H new ATOM 0 HD23 LEU A 106 -9.137 -3.848 -1.816 1.00 2.55 H new ATOM 1634 N VAL A 107 -5.318 -7.477 -3.959 1.00 0.42 N ATOM 1635 CA VAL A 107 -4.094 -7.920 -4.627 1.00 0.47 C ATOM 1636 C VAL A 107 -4.070 -9.413 -4.974 1.00 0.50 C ATOM 1637 O VAL A 107 -3.205 -9.868 -5.727 1.00 0.59 O ATOM 1638 CB VAL A 107 -2.926 -7.607 -3.692 1.00 0.48 C ATOM 1639 CG1 VAL A 107 -2.841 -6.097 -3.422 1.00 0.57 C ATOM 1640 CG2 VAL A 107 -3.014 -8.372 -2.366 1.00 0.53 C ATOM 0 H VAL A 107 -5.251 -7.599 -2.949 1.00 0.42 H new ATOM 0 HA VAL A 107 -4.030 -7.393 -5.579 1.00 0.47 H new ATOM 0 HB VAL A 107 -2.020 -7.937 -4.199 1.00 0.48 H new ATOM 0 HG11 VAL A 107 -2.004 -5.893 -2.755 1.00 0.57 H new ATOM 0 HG12 VAL A 107 -2.692 -5.567 -4.363 1.00 0.57 H new ATOM 0 HG13 VAL A 107 -3.767 -5.758 -2.957 1.00 0.57 H new ATOM 0 HG21 VAL A 107 -2.160 -8.113 -1.739 1.00 0.53 H new ATOM 0 HG22 VAL A 107 -3.937 -8.103 -1.852 1.00 0.53 H new ATOM 0 HG23 VAL A 107 -3.008 -9.444 -2.563 1.00 0.53 H new ATOM 1650 N ALA A 108 -5.031 -10.158 -4.423 1.00 0.45 N ATOM 1651 CA ALA A 108 -5.401 -11.521 -4.778 1.00 0.49 C ATOM 1652 C ALA A 108 -6.362 -11.482 -5.971 1.00 0.62 C ATOM 1653 O ALA A 108 -6.080 -12.073 -7.010 1.00 0.87 O ATOM 1654 CB ALA A 108 -6.029 -12.191 -3.549 1.00 0.46 C ATOM 0 H ALA A 108 -5.609 -9.795 -3.665 1.00 0.45 H new ATOM 0 HA ALA A 108 -4.530 -12.105 -5.075 1.00 0.49 H new ATOM 0 HB1 ALA A 108 -6.312 -13.214 -3.797 1.00 0.46 H new ATOM 0 HB2 ALA A 108 -5.307 -12.203 -2.732 1.00 0.46 H new ATOM 0 HB3 ALA A 108 -6.914 -11.633 -3.243 1.00 0.46 H new