USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 680 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 37 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= -0.0293 USER MOD Set 2.1: A 13 THR OG1 : rot -160:sc= 0.276 USER MOD Set 2.2: A 16 GLN : amide:sc= -1.33 X(o=-1.1,f=-1.5) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0115) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -104:sc= -0.68! (180deg=-3.64!) USER MOD Single : A 18 ASN : amide:sc= 0.693 K(o=0.69,f=-0.42) USER MOD Single : A 21 LYS NZ :NH3+ -155:sc= 0.955 (180deg=0.586) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0298 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -149:sc= -2.69! (180deg=-5.15!) USER MOD Single : A 47 MET CE :methyl 145:sc= -0.287 (180deg=-1.58) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.699 K(o=-0.7,f=-5.1!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.0172 K(o=0.017,f=-0.54) USER MOD Single : A 60 MET CE :methyl -161:sc= -0.219 (180deg=-1.06) USER MOD Single : A 69 SER OG : rot 150:sc= -0.692 USER MOD Single : A 80 MET CE :methyl 152:sc= -1.58 (180deg=-3.46!) USER MOD Single : A 81 MET CE :methyl -166:sc= -2.91! (180deg=-3.57!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl -170:sc= -0.979 (180deg=-1.36) USER MOD Single : B 149 SER OG : rot -120:sc= 0.59 USER MOD Single : B 153 MET CE :methyl -147:sc= -0.221 (180deg=-0.701) USER MOD Single : B 154 MET CE :methyl 165:sc= -0.382 (180deg=-1.2) USER MOD Single : B 155 GLN : amide:sc= 0 X(o=0,f=0.00095) USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 70.938 9.105 12.914 1.00 0.00 N ATOM 45 CA ILE A 4 69.663 9.672 13.467 1.00 0.00 C ATOM 46 C ILE A 4 68.451 8.993 12.815 1.00 0.00 C ATOM 47 O ILE A 4 67.622 8.420 13.494 1.00 0.00 O ATOM 48 CB ILE A 4 69.692 11.171 13.133 1.00 0.00 C ATOM 49 CG1 ILE A 4 71.037 11.778 13.557 1.00 0.00 C ATOM 50 CG2 ILE A 4 68.566 11.880 13.888 1.00 0.00 C ATOM 51 CD1 ILE A 4 71.786 12.279 12.320 1.00 0.00 C ATOM 0 HA ILE A 4 69.580 9.507 14.541 1.00 0.00 H new ATOM 0 HB ILE A 4 69.560 11.298 12.059 1.00 0.00 H new ATOM 0 HG12 ILE A 4 70.873 12.600 14.253 1.00 0.00 H new ATOM 0 HG13 ILE A 4 71.636 11.032 14.080 1.00 0.00 H new ATOM 0 HG21 ILE A 4 68.584 12.944 13.653 1.00 0.00 H new ATOM 0 HG22 ILE A 4 67.606 11.459 13.589 1.00 0.00 H new ATOM 0 HG23 ILE A 4 68.704 11.743 14.960 1.00 0.00 H new ATOM 0 HD11 ILE A 4 72.741 12.710 12.622 1.00 0.00 H new ATOM 0 HD12 ILE A 4 71.963 11.446 11.640 1.00 0.00 H new ATOM 0 HD13 ILE A 4 71.189 13.039 11.816 1.00 0.00 H new ATOM 63 N TYR A 5 68.346 9.043 11.506 1.00 0.00 N ATOM 64 CA TYR A 5 67.187 8.385 10.814 1.00 0.00 C ATOM 65 C TYR A 5 67.116 6.899 11.196 1.00 0.00 C ATOM 66 O TYR A 5 66.050 6.318 11.268 1.00 0.00 O ATOM 67 CB TYR A 5 67.463 8.546 9.314 1.00 0.00 C ATOM 68 CG TYR A 5 66.455 9.495 8.710 1.00 0.00 C ATOM 69 CD1 TYR A 5 66.672 10.877 8.770 1.00 0.00 C ATOM 70 CD2 TYR A 5 65.305 8.994 8.088 1.00 0.00 C ATOM 71 CE1 TYR A 5 65.739 11.757 8.209 1.00 0.00 C ATOM 72 CE2 TYR A 5 64.373 9.875 7.527 1.00 0.00 C ATOM 73 CZ TYR A 5 64.590 11.256 7.587 1.00 0.00 C ATOM 74 OH TYR A 5 63.671 12.123 7.032 1.00 0.00 O ATOM 0 H TYR A 5 69.010 9.509 10.888 1.00 0.00 H new ATOM 0 HA TYR A 5 66.234 8.832 11.097 1.00 0.00 H new ATOM 0 HB2 TYR A 5 68.473 8.926 9.159 1.00 0.00 H new ATOM 0 HB3 TYR A 5 67.407 7.577 8.818 1.00 0.00 H new ATOM 0 HD1 TYR A 5 67.559 11.264 9.249 1.00 0.00 H new ATOM 0 HD2 TYR A 5 65.137 7.928 8.041 1.00 0.00 H new ATOM 0 HE1 TYR A 5 65.906 12.823 8.256 1.00 0.00 H new ATOM 0 HE2 TYR A 5 63.486 9.489 7.048 1.00 0.00 H new ATOM 0 HH TYR A 5 62.933 11.611 6.640 1.00 0.00 H new ATOM 84 N LYS A 6 68.250 6.290 11.453 1.00 0.00 N ATOM 85 CA LYS A 6 68.274 4.846 11.846 1.00 0.00 C ATOM 86 C LYS A 6 67.427 4.615 13.109 1.00 0.00 C ATOM 87 O LYS A 6 66.741 3.618 13.226 1.00 0.00 O ATOM 88 CB LYS A 6 69.752 4.547 12.120 1.00 0.00 C ATOM 89 CG LYS A 6 70.075 3.109 11.707 1.00 0.00 C ATOM 90 CD LYS A 6 71.358 3.100 10.872 1.00 0.00 C ATOM 91 CE LYS A 6 71.006 3.229 9.385 1.00 0.00 C ATOM 92 NZ LYS A 6 71.512 4.571 8.976 1.00 0.00 N ATOM 0 H LYS A 6 69.166 6.736 11.407 1.00 0.00 H new ATOM 0 HA LYS A 6 67.858 4.198 11.075 1.00 0.00 H new ATOM 0 HB2 LYS A 6 70.382 5.244 11.567 1.00 0.00 H new ATOM 0 HB3 LYS A 6 69.971 4.689 13.178 1.00 0.00 H new ATOM 0 HG2 LYS A 6 70.198 2.483 12.591 1.00 0.00 H new ATOM 0 HG3 LYS A 6 69.250 2.689 11.132 1.00 0.00 H new ATOM 0 HD2 LYS A 6 72.007 3.922 11.175 1.00 0.00 H new ATOM 0 HD3 LYS A 6 71.911 2.177 11.046 1.00 0.00 H new ATOM 0 HE2 LYS A 6 71.474 2.437 8.800 1.00 0.00 H new ATOM 0 HE3 LYS A 6 69.930 3.149 9.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 71.382 4.694 7.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 70.984 5.310 9.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 72.523 4.646 9.208 1.00 0.00 H new ATOM 106 N ALA A 7 67.466 5.533 14.048 1.00 0.00 N ATOM 107 CA ALA A 7 66.659 5.376 15.302 1.00 0.00 C ATOM 108 C ALA A 7 65.159 5.319 14.977 1.00 0.00 C ATOM 109 O ALA A 7 64.434 4.501 15.506 1.00 0.00 O ATOM 110 CB ALA A 7 66.976 6.619 16.137 1.00 0.00 C ATOM 0 H ALA A 7 68.023 6.386 13.999 1.00 0.00 H new ATOM 0 HA ALA A 7 66.902 4.453 15.829 1.00 0.00 H new ATOM 0 HB1 ALA A 7 66.421 6.579 17.075 1.00 0.00 H new ATOM 0 HB2 ALA A 7 68.045 6.652 16.349 1.00 0.00 H new ATOM 0 HB3 ALA A 7 66.688 7.513 15.583 1.00 0.00 H new ATOM 116 N ALA A 8 64.692 6.182 14.109 1.00 0.00 N ATOM 117 CA ALA A 8 63.237 6.180 13.747 1.00 0.00 C ATOM 118 C ALA A 8 62.890 4.997 12.822 1.00 0.00 C ATOM 119 O ALA A 8 61.731 4.706 12.599 1.00 0.00 O ATOM 120 CB ALA A 8 63.012 7.508 13.020 1.00 0.00 C ATOM 0 H ALA A 8 65.254 6.889 13.634 1.00 0.00 H new ATOM 0 HA ALA A 8 62.605 6.073 14.628 1.00 0.00 H new ATOM 0 HB1 ALA A 8 61.967 7.586 12.720 1.00 0.00 H new ATOM 0 HB2 ALA A 8 63.261 8.334 13.686 1.00 0.00 H new ATOM 0 HB3 ALA A 8 63.648 7.551 12.136 1.00 0.00 H new ATOM 126 N VAL A 9 63.876 4.321 12.280 1.00 0.00 N ATOM 127 CA VAL A 9 63.591 3.167 11.368 1.00 0.00 C ATOM 128 C VAL A 9 63.779 1.834 12.108 1.00 0.00 C ATOM 129 O VAL A 9 62.905 0.986 12.107 1.00 0.00 O ATOM 130 CB VAL A 9 64.611 3.312 10.230 1.00 0.00 C ATOM 131 CG1 VAL A 9 64.633 2.042 9.371 1.00 0.00 C ATOM 132 CG2 VAL A 9 64.228 4.506 9.353 1.00 0.00 C ATOM 0 H VAL A 9 64.865 4.519 12.430 1.00 0.00 H new ATOM 0 HA VAL A 9 62.565 3.170 11.001 1.00 0.00 H new ATOM 0 HB VAL A 9 65.600 3.468 10.661 1.00 0.00 H new ATOM 0 HG11 VAL A 9 65.361 2.159 8.568 1.00 0.00 H new ATOM 0 HG12 VAL A 9 64.910 1.189 9.990 1.00 0.00 H new ATOM 0 HG13 VAL A 9 63.644 1.875 8.944 1.00 0.00 H new ATOM 0 HG21 VAL A 9 64.951 4.610 8.544 1.00 0.00 H new ATOM 0 HG22 VAL A 9 63.235 4.345 8.933 1.00 0.00 H new ATOM 0 HG23 VAL A 9 64.224 5.414 9.956 1.00 0.00 H new ATOM 142 N GLU A 10 64.912 1.640 12.728 1.00 0.00 N ATOM 143 CA GLU A 10 65.158 0.359 13.457 1.00 0.00 C ATOM 144 C GLU A 10 64.622 0.428 14.898 1.00 0.00 C ATOM 145 O GLU A 10 64.419 -0.590 15.531 1.00 0.00 O ATOM 146 CB GLU A 10 66.680 0.179 13.450 1.00 0.00 C ATOM 147 CG GLU A 10 67.123 -0.424 12.109 1.00 0.00 C ATOM 148 CD GLU A 10 66.607 -1.862 11.987 1.00 0.00 C ATOM 149 OE1 GLU A 10 67.222 -2.743 12.564 1.00 0.00 O ATOM 150 OE2 GLU A 10 65.604 -2.056 11.318 1.00 0.00 O ATOM 0 H GLU A 10 65.679 2.312 12.762 1.00 0.00 H new ATOM 0 HA GLU A 10 64.646 -0.478 12.983 1.00 0.00 H new ATOM 0 HB2 GLU A 10 67.170 1.140 13.608 1.00 0.00 H new ATOM 0 HB3 GLU A 10 66.983 -0.472 14.270 1.00 0.00 H new ATOM 0 HG2 GLU A 10 66.741 0.179 11.285 1.00 0.00 H new ATOM 0 HG3 GLU A 10 68.211 -0.411 12.036 1.00 0.00 H new ATOM 157 N GLN A 11 64.389 1.609 15.424 1.00 0.00 N ATOM 158 CA GLN A 11 63.869 1.714 16.823 1.00 0.00 C ATOM 159 C GLN A 11 62.511 2.436 16.856 1.00 0.00 C ATOM 160 O GLN A 11 62.348 3.444 17.520 1.00 0.00 O ATOM 161 CB GLN A 11 64.933 2.513 17.587 1.00 0.00 C ATOM 162 CG GLN A 11 65.626 1.605 18.607 1.00 0.00 C ATOM 163 CD GLN A 11 66.054 2.432 19.820 1.00 0.00 C ATOM 164 OE1 GLN A 11 67.198 2.819 19.933 1.00 0.00 O ATOM 165 NE2 GLN A 11 65.176 2.722 20.738 1.00 0.00 N ATOM 0 H GLN A 11 64.536 2.499 14.947 1.00 0.00 H new ATOM 0 HA GLN A 11 63.700 0.733 17.266 1.00 0.00 H new ATOM 0 HB2 GLN A 11 65.666 2.920 16.890 1.00 0.00 H new ATOM 0 HB3 GLN A 11 64.471 3.360 18.094 1.00 0.00 H new ATOM 0 HG2 GLN A 11 64.951 0.808 18.917 1.00 0.00 H new ATOM 0 HG3 GLN A 11 66.495 1.128 18.154 1.00 0.00 H new ATOM 0 HE21 GLN A 11 64.214 2.397 20.644 1.00 0.00 H new ATOM 0 HE22 GLN A 11 65.451 3.274 21.551 1.00 0.00 H new ATOM 174 N LEU A 12 61.523 1.911 16.172 1.00 0.00 N ATOM 175 CA LEU A 12 60.169 2.559 16.204 1.00 0.00 C ATOM 176 C LEU A 12 59.336 1.905 17.315 1.00 0.00 C ATOM 177 O LEU A 12 59.114 2.485 18.359 1.00 0.00 O ATOM 178 CB LEU A 12 59.482 2.353 14.827 1.00 0.00 C ATOM 179 CG LEU A 12 60.382 1.634 13.808 1.00 0.00 C ATOM 180 CD1 LEU A 12 60.172 0.120 13.909 1.00 0.00 C ATOM 181 CD2 LEU A 12 60.003 2.093 12.399 1.00 0.00 C ATOM 0 H LEU A 12 61.591 1.071 15.598 1.00 0.00 H new ATOM 0 HA LEU A 12 60.259 3.627 16.403 1.00 0.00 H new ATOM 0 HB2 LEU A 12 58.567 1.777 14.966 1.00 0.00 H new ATOM 0 HB3 LEU A 12 59.189 3.323 14.424 1.00 0.00 H new ATOM 0 HG LEU A 12 61.425 1.871 14.015 1.00 0.00 H new ATOM 0 HD11 LEU A 12 60.812 -0.385 13.185 1.00 0.00 H new ATOM 0 HD12 LEU A 12 60.426 -0.216 14.914 1.00 0.00 H new ATOM 0 HD13 LEU A 12 59.129 -0.117 13.699 1.00 0.00 H new ATOM 0 HD21 LEU A 12 60.636 1.588 11.669 1.00 0.00 H new ATOM 0 HD22 LEU A 12 58.959 1.847 12.205 1.00 0.00 H new ATOM 0 HD23 LEU A 12 60.143 3.171 12.317 1.00 0.00 H new ATOM 193 N THR A 13 58.891 0.691 17.097 1.00 0.00 N ATOM 194 CA THR A 13 58.088 -0.034 18.133 1.00 0.00 C ATOM 195 C THR A 13 58.287 -1.537 17.966 1.00 0.00 C ATOM 196 O THR A 13 58.489 -2.025 16.868 1.00 0.00 O ATOM 197 CB THR A 13 56.620 0.345 17.892 1.00 0.00 C ATOM 198 OG1 THR A 13 56.520 1.698 17.467 1.00 0.00 O ATOM 199 CG2 THR A 13 55.819 0.162 19.184 1.00 0.00 C ATOM 0 H THR A 13 59.051 0.166 16.237 1.00 0.00 H new ATOM 0 HA THR A 13 58.394 0.235 19.144 1.00 0.00 H new ATOM 0 HB THR A 13 56.218 -0.304 17.114 1.00 0.00 H new ATOM 0 HG1 THR A 13 55.608 2.022 17.620 1.00 0.00 H new ATOM 0 HG21 THR A 13 54.778 0.432 19.008 1.00 0.00 H new ATOM 0 HG22 THR A 13 55.875 -0.879 19.502 1.00 0.00 H new ATOM 0 HG23 THR A 13 56.233 0.802 19.963 1.00 0.00 H new ATOM 207 N GLU A 14 58.249 -2.270 19.047 1.00 0.00 N ATOM 208 CA GLU A 14 58.453 -3.747 18.960 1.00 0.00 C ATOM 209 C GLU A 14 57.479 -4.380 17.951 1.00 0.00 C ATOM 210 O GLU A 14 57.867 -5.183 17.122 1.00 0.00 O ATOM 211 CB GLU A 14 58.188 -4.270 20.375 1.00 0.00 C ATOM 212 CG GLU A 14 58.359 -5.794 20.408 1.00 0.00 C ATOM 213 CD GLU A 14 57.057 -6.444 20.881 1.00 0.00 C ATOM 214 OE1 GLU A 14 56.161 -6.589 20.065 1.00 0.00 O ATOM 215 OE2 GLU A 14 56.979 -6.785 22.049 1.00 0.00 O ATOM 0 H GLU A 14 58.085 -1.910 19.987 1.00 0.00 H new ATOM 0 HA GLU A 14 59.455 -3.998 18.613 1.00 0.00 H new ATOM 0 HB2 GLU A 14 58.876 -3.803 21.080 1.00 0.00 H new ATOM 0 HB3 GLU A 14 57.179 -4.001 20.689 1.00 0.00 H new ATOM 0 HG2 GLU A 14 58.623 -6.162 19.417 1.00 0.00 H new ATOM 0 HG3 GLU A 14 59.177 -6.064 21.076 1.00 0.00 H new ATOM 222 N GLU A 15 56.221 -4.020 18.013 1.00 0.00 N ATOM 223 CA GLU A 15 55.225 -4.599 17.059 1.00 0.00 C ATOM 224 C GLU A 15 55.347 -3.948 15.670 1.00 0.00 C ATOM 225 O GLU A 15 55.012 -4.555 14.673 1.00 0.00 O ATOM 226 CB GLU A 15 53.854 -4.299 17.675 1.00 0.00 C ATOM 227 CG GLU A 15 52.767 -5.063 16.907 1.00 0.00 C ATOM 228 CD GLU A 15 52.821 -6.551 17.268 1.00 0.00 C ATOM 229 OE1 GLU A 15 52.193 -6.927 18.243 1.00 0.00 O ATOM 230 OE2 GLU A 15 53.484 -7.288 16.557 1.00 0.00 O ATOM 0 H GLU A 15 55.841 -3.351 18.682 1.00 0.00 H new ATOM 0 HA GLU A 15 55.384 -5.668 16.913 1.00 0.00 H new ATOM 0 HB2 GLU A 15 53.844 -4.590 18.725 1.00 0.00 H new ATOM 0 HB3 GLU A 15 53.654 -3.228 17.639 1.00 0.00 H new ATOM 0 HG2 GLU A 15 51.785 -4.657 17.149 1.00 0.00 H new ATOM 0 HG3 GLU A 15 52.909 -4.935 15.834 1.00 0.00 H new ATOM 237 N GLN A 16 55.821 -2.722 15.594 1.00 0.00 N ATOM 238 CA GLN A 16 55.955 -2.047 14.258 1.00 0.00 C ATOM 239 C GLN A 16 56.815 -2.885 13.313 1.00 0.00 C ATOM 240 O GLN A 16 56.501 -3.051 12.150 1.00 0.00 O ATOM 241 CB GLN A 16 56.621 -0.696 14.537 1.00 0.00 C ATOM 242 CG GLN A 16 55.576 0.418 14.443 1.00 0.00 C ATOM 243 CD GLN A 16 56.249 1.727 14.028 1.00 0.00 C ATOM 244 OE1 GLN A 16 56.654 1.882 12.894 1.00 0.00 O ATOM 245 NE2 GLN A 16 56.386 2.683 14.903 1.00 0.00 N ATOM 0 H GLN A 16 56.119 -2.163 16.394 1.00 0.00 H new ATOM 0 HA GLN A 16 54.986 -1.924 13.775 1.00 0.00 H new ATOM 0 HB2 GLN A 16 57.075 -0.700 15.528 1.00 0.00 H new ATOM 0 HB3 GLN A 16 57.422 -0.519 13.820 1.00 0.00 H new ATOM 0 HG2 GLN A 16 54.808 0.148 13.719 1.00 0.00 H new ATOM 0 HG3 GLN A 16 55.078 0.544 15.404 1.00 0.00 H new ATOM 0 HE21 GLN A 16 56.046 2.554 15.856 1.00 0.00 H new ATOM 0 HE22 GLN A 16 56.833 3.560 14.635 1.00 0.00 H new ATOM 254 N LYS A 17 57.886 -3.423 13.815 1.00 0.00 N ATOM 255 CA LYS A 17 58.776 -4.275 12.966 1.00 0.00 C ATOM 256 C LYS A 17 58.021 -5.547 12.560 1.00 0.00 C ATOM 257 O LYS A 17 58.023 -5.939 11.409 1.00 0.00 O ATOM 258 CB LYS A 17 59.981 -4.611 13.851 1.00 0.00 C ATOM 259 CG LYS A 17 60.828 -3.351 14.059 1.00 0.00 C ATOM 260 CD LYS A 17 62.288 -3.648 13.706 1.00 0.00 C ATOM 261 CE LYS A 17 63.056 -2.331 13.541 1.00 0.00 C ATOM 262 NZ LYS A 17 62.943 -1.980 12.093 1.00 0.00 N ATOM 0 H LYS A 17 58.190 -3.312 14.782 1.00 0.00 H new ATOM 0 HA LYS A 17 59.089 -3.776 12.049 1.00 0.00 H new ATOM 0 HB2 LYS A 17 59.643 -4.998 14.812 1.00 0.00 H new ATOM 0 HB3 LYS A 17 60.581 -5.393 13.386 1.00 0.00 H new ATOM 0 HG2 LYS A 17 60.451 -2.540 13.436 1.00 0.00 H new ATOM 0 HG3 LYS A 17 60.754 -3.018 15.094 1.00 0.00 H new ATOM 0 HD2 LYS A 17 62.746 -4.252 14.489 1.00 0.00 H new ATOM 0 HD3 LYS A 17 62.339 -4.228 12.785 1.00 0.00 H new ATOM 0 HE2 LYS A 17 62.631 -1.548 14.169 1.00 0.00 H new ATOM 0 HE3 LYS A 17 64.099 -2.445 13.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 63.842 -2.190 11.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 62.181 -2.538 11.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 62.728 -0.967 11.997 1.00 0.00 H new ATOM 276 N ASN A 18 57.356 -6.173 13.502 1.00 0.00 N ATOM 277 CA ASN A 18 56.567 -7.407 13.192 1.00 0.00 C ATOM 278 C ASN A 18 55.422 -7.059 12.225 1.00 0.00 C ATOM 279 O ASN A 18 55.098 -7.821 11.333 1.00 0.00 O ATOM 280 CB ASN A 18 56.017 -7.870 14.546 1.00 0.00 C ATOM 281 CG ASN A 18 55.458 -9.289 14.425 1.00 0.00 C ATOM 282 OD1 ASN A 18 56.089 -10.160 13.863 1.00 0.00 O ATOM 283 ND2 ASN A 18 54.290 -9.559 14.936 1.00 0.00 N ATOM 0 H ASN A 18 57.326 -5.880 14.478 1.00 0.00 H new ATOM 0 HA ASN A 18 57.164 -8.183 12.713 1.00 0.00 H new ATOM 0 HB2 ASN A 18 56.807 -7.844 15.297 1.00 0.00 H new ATOM 0 HB3 ASN A 18 55.235 -7.189 14.882 1.00 0.00 H new ATOM 0 HD21 ASN A 18 53.907 -10.502 14.863 1.00 0.00 H new ATOM 0 HD22 ASN A 18 53.759 -8.828 15.409 1.00 0.00 H new ATOM 290 N GLU A 19 54.823 -5.903 12.392 1.00 0.00 N ATOM 291 CA GLU A 19 53.714 -5.478 11.484 1.00 0.00 C ATOM 292 C GLU A 19 54.274 -5.239 10.073 1.00 0.00 C ATOM 293 O GLU A 19 53.784 -5.791 9.105 1.00 0.00 O ATOM 294 CB GLU A 19 53.173 -4.182 12.112 1.00 0.00 C ATOM 295 CG GLU A 19 52.601 -3.257 11.032 1.00 0.00 C ATOM 296 CD GLU A 19 52.310 -1.881 11.635 1.00 0.00 C ATOM 297 OE1 GLU A 19 53.252 -1.229 12.059 1.00 0.00 O ATOM 298 OE2 GLU A 19 51.152 -1.501 11.657 1.00 0.00 O ATOM 0 H GLU A 19 55.058 -5.233 13.124 1.00 0.00 H new ATOM 0 HA GLU A 19 52.926 -6.224 11.382 1.00 0.00 H new ATOM 0 HB2 GLU A 19 52.399 -4.421 12.841 1.00 0.00 H new ATOM 0 HB3 GLU A 19 53.972 -3.671 12.650 1.00 0.00 H new ATOM 0 HG2 GLU A 19 53.309 -3.162 10.208 1.00 0.00 H new ATOM 0 HG3 GLU A 19 51.687 -3.685 10.619 1.00 0.00 H new ATOM 305 N PHE A 20 55.307 -4.433 9.953 1.00 0.00 N ATOM 306 CA PHE A 20 55.909 -4.177 8.604 1.00 0.00 C ATOM 307 C PHE A 20 56.373 -5.505 7.983 1.00 0.00 C ATOM 308 O PHE A 20 56.293 -5.695 6.785 1.00 0.00 O ATOM 309 CB PHE A 20 57.103 -3.246 8.850 1.00 0.00 C ATOM 310 CG PHE A 20 56.681 -1.800 8.660 1.00 0.00 C ATOM 311 CD1 PHE A 20 56.163 -1.368 7.427 1.00 0.00 C ATOM 312 CD2 PHE A 20 56.815 -0.889 9.718 1.00 0.00 C ATOM 313 CE1 PHE A 20 55.782 -0.030 7.259 1.00 0.00 C ATOM 314 CE2 PHE A 20 56.432 0.447 9.546 1.00 0.00 C ATOM 315 CZ PHE A 20 55.916 0.876 8.318 1.00 0.00 C ATOM 0 H PHE A 20 55.756 -3.944 10.728 1.00 0.00 H new ATOM 0 HA PHE A 20 55.195 -3.727 7.914 1.00 0.00 H new ATOM 0 HB2 PHE A 20 57.487 -3.392 9.860 1.00 0.00 H new ATOM 0 HB3 PHE A 20 57.913 -3.490 8.163 1.00 0.00 H new ATOM 0 HD1 PHE A 20 56.059 -2.066 6.610 1.00 0.00 H new ATOM 0 HD2 PHE A 20 57.214 -1.218 10.666 1.00 0.00 H new ATOM 0 HE1 PHE A 20 55.385 0.303 6.312 1.00 0.00 H new ATOM 0 HE2 PHE A 20 56.535 1.147 10.362 1.00 0.00 H new ATOM 0 HZ PHE A 20 55.621 1.907 8.187 1.00 0.00 H new ATOM 325 N LYS A 21 56.839 -6.431 8.796 1.00 0.00 N ATOM 326 CA LYS A 21 57.284 -7.757 8.261 1.00 0.00 C ATOM 327 C LYS A 21 56.091 -8.458 7.592 1.00 0.00 C ATOM 328 O LYS A 21 56.202 -8.958 6.493 1.00 0.00 O ATOM 329 CB LYS A 21 57.818 -8.535 9.488 1.00 0.00 C ATOM 330 CG LYS A 21 57.107 -9.892 9.656 1.00 0.00 C ATOM 331 CD LYS A 21 58.144 -10.984 9.942 1.00 0.00 C ATOM 332 CE LYS A 21 57.435 -12.337 10.086 1.00 0.00 C ATOM 333 NZ LYS A 21 57.507 -12.960 8.732 1.00 0.00 N ATOM 0 H LYS A 21 56.929 -6.322 9.806 1.00 0.00 H new ATOM 0 HA LYS A 21 58.060 -7.679 7.500 1.00 0.00 H new ATOM 0 HB2 LYS A 21 58.890 -8.697 9.378 1.00 0.00 H new ATOM 0 HB3 LYS A 21 57.677 -7.936 10.388 1.00 0.00 H new ATOM 0 HG2 LYS A 21 56.387 -9.838 10.472 1.00 0.00 H new ATOM 0 HG3 LYS A 21 56.548 -10.135 8.753 1.00 0.00 H new ATOM 0 HD2 LYS A 21 58.874 -11.028 9.134 1.00 0.00 H new ATOM 0 HD3 LYS A 21 58.692 -10.750 10.854 1.00 0.00 H new ATOM 0 HE2 LYS A 21 57.925 -12.961 10.834 1.00 0.00 H new ATOM 0 HE3 LYS A 21 56.401 -12.208 10.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 56.727 -13.638 8.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 57.430 -12.220 8.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 58.415 -13.456 8.626 1.00 0.00 H new ATOM 347 N ALA A 22 54.948 -8.478 8.241 1.00 0.00 N ATOM 348 CA ALA A 22 53.746 -9.130 7.628 1.00 0.00 C ATOM 349 C ALA A 22 53.408 -8.438 6.300 1.00 0.00 C ATOM 350 O ALA A 22 53.216 -9.084 5.286 1.00 0.00 O ATOM 351 CB ALA A 22 52.621 -8.940 8.647 1.00 0.00 C ATOM 0 H ALA A 22 54.797 -8.073 9.165 1.00 0.00 H new ATOM 0 HA ALA A 22 53.906 -10.186 7.408 1.00 0.00 H new ATOM 0 HB1 ALA A 22 51.705 -9.393 8.267 1.00 0.00 H new ATOM 0 HB2 ALA A 22 52.898 -9.416 9.588 1.00 0.00 H new ATOM 0 HB3 ALA A 22 52.457 -7.875 8.814 1.00 0.00 H new ATOM 357 N ALA A 23 53.364 -7.125 6.295 1.00 0.00 N ATOM 358 CA ALA A 23 53.072 -6.384 5.027 1.00 0.00 C ATOM 359 C ALA A 23 54.158 -6.700 3.990 1.00 0.00 C ATOM 360 O ALA A 23 53.876 -6.903 2.825 1.00 0.00 O ATOM 361 CB ALA A 23 53.107 -4.898 5.408 1.00 0.00 C ATOM 0 H ALA A 23 53.518 -6.536 7.114 1.00 0.00 H new ATOM 0 HA ALA A 23 52.112 -6.662 4.592 1.00 0.00 H new ATOM 0 HB1 ALA A 23 52.901 -4.291 4.526 1.00 0.00 H new ATOM 0 HB2 ALA A 23 52.352 -4.700 6.169 1.00 0.00 H new ATOM 0 HB3 ALA A 23 54.092 -4.646 5.800 1.00 0.00 H new ATOM 367 N PHE A 24 55.397 -6.755 4.421 1.00 0.00 N ATOM 368 CA PHE A 24 56.524 -7.071 3.488 1.00 0.00 C ATOM 369 C PHE A 24 56.410 -8.521 2.994 1.00 0.00 C ATOM 370 O PHE A 24 56.543 -8.791 1.817 1.00 0.00 O ATOM 371 CB PHE A 24 57.793 -6.884 4.331 1.00 0.00 C ATOM 372 CG PHE A 24 59.021 -7.000 3.456 1.00 0.00 C ATOM 373 CD1 PHE A 24 59.523 -8.262 3.118 1.00 0.00 C ATOM 374 CD2 PHE A 24 59.662 -5.845 2.992 1.00 0.00 C ATOM 375 CE1 PHE A 24 60.664 -8.369 2.315 1.00 0.00 C ATOM 376 CE2 PHE A 24 60.802 -5.953 2.188 1.00 0.00 C ATOM 377 CZ PHE A 24 61.304 -7.214 1.849 1.00 0.00 C ATOM 0 H PHE A 24 55.677 -6.593 5.388 1.00 0.00 H new ATOM 0 HA PHE A 24 56.524 -6.435 2.603 1.00 0.00 H new ATOM 0 HB2 PHE A 24 57.775 -5.909 4.818 1.00 0.00 H new ATOM 0 HB3 PHE A 24 57.828 -7.634 5.121 1.00 0.00 H new ATOM 0 HD1 PHE A 24 59.030 -9.153 3.477 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.277 -4.871 3.255 1.00 0.00 H new ATOM 0 HE1 PHE A 24 61.051 -9.343 2.055 1.00 0.00 H new ATOM 0 HE2 PHE A 24 61.295 -5.062 1.829 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.184 -7.297 1.229 1.00 0.00 H new ATOM 387 N ASP A 25 56.158 -9.450 3.890 1.00 0.00 N ATOM 388 CA ASP A 25 56.025 -10.890 3.490 1.00 0.00 C ATOM 389 C ASP A 25 54.990 -11.036 2.366 1.00 0.00 C ATOM 390 O ASP A 25 55.228 -11.702 1.375 1.00 0.00 O ATOM 391 CB ASP A 25 55.550 -11.611 4.758 1.00 0.00 C ATOM 392 CG ASP A 25 56.748 -12.232 5.479 1.00 0.00 C ATOM 393 OD1 ASP A 25 57.359 -11.541 6.277 1.00 0.00 O ATOM 394 OD2 ASP A 25 57.029 -13.391 5.229 1.00 0.00 O ATOM 0 H ASP A 25 56.038 -9.271 4.887 1.00 0.00 H new ATOM 0 HA ASP A 25 56.961 -11.302 3.113 1.00 0.00 H new ATOM 0 HB2 ASP A 25 55.041 -10.909 5.418 1.00 0.00 H new ATOM 0 HB3 ASP A 25 54.828 -12.386 4.499 1.00 0.00 H new ATOM 399 N ILE A 26 53.851 -10.404 2.508 1.00 0.00 N ATOM 400 CA ILE A 26 52.803 -10.487 1.442 1.00 0.00 C ATOM 401 C ILE A 26 53.241 -9.663 0.220 1.00 0.00 C ATOM 402 O ILE A 26 52.907 -9.984 -0.905 1.00 0.00 O ATOM 403 CB ILE A 26 51.536 -9.900 2.078 1.00 0.00 C ATOM 404 CG1 ILE A 26 51.053 -10.826 3.201 1.00 0.00 C ATOM 405 CG2 ILE A 26 50.434 -9.777 1.020 1.00 0.00 C ATOM 406 CD1 ILE A 26 50.193 -10.033 4.188 1.00 0.00 C ATOM 0 H ILE A 26 53.601 -9.834 3.316 1.00 0.00 H new ATOM 0 HA ILE A 26 52.636 -11.507 1.095 1.00 0.00 H new ATOM 0 HB ILE A 26 51.763 -8.914 2.483 1.00 0.00 H new ATOM 0 HG12 ILE A 26 50.477 -11.651 2.783 1.00 0.00 H new ATOM 0 HG13 ILE A 26 51.907 -11.264 3.718 1.00 0.00 H new ATOM 0 HG21 ILE A 26 49.536 -9.360 1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 26 50.772 -9.121 0.218 1.00 0.00 H new ATOM 0 HG23 ILE A 26 50.209 -10.763 0.612 1.00 0.00 H new ATOM 0 HD11 ILE A 26 49.851 -10.693 4.985 1.00 0.00 H new ATOM 0 HD12 ILE A 26 50.784 -9.223 4.616 1.00 0.00 H new ATOM 0 HD13 ILE A 26 49.331 -9.617 3.667 1.00 0.00 H new ATOM 418 N PHE A 27 53.999 -8.612 0.436 1.00 0.00 N ATOM 419 CA PHE A 27 54.476 -7.770 -0.707 1.00 0.00 C ATOM 420 C PHE A 27 55.389 -8.592 -1.630 1.00 0.00 C ATOM 421 O PHE A 27 55.336 -8.462 -2.839 1.00 0.00 O ATOM 422 CB PHE A 27 55.263 -6.622 -0.063 1.00 0.00 C ATOM 423 CG PHE A 27 55.029 -5.350 -0.844 1.00 0.00 C ATOM 424 CD1 PHE A 27 55.442 -5.263 -2.179 1.00 0.00 C ATOM 425 CD2 PHE A 27 54.401 -4.259 -0.234 1.00 0.00 C ATOM 426 CE1 PHE A 27 55.226 -4.086 -2.904 1.00 0.00 C ATOM 427 CE2 PHE A 27 54.184 -3.081 -0.959 1.00 0.00 C ATOM 428 CZ PHE A 27 54.597 -2.995 -2.294 1.00 0.00 C ATOM 0 H PHE A 27 54.308 -8.301 1.357 1.00 0.00 H new ATOM 0 HA PHE A 27 53.650 -7.405 -1.317 1.00 0.00 H new ATOM 0 HB2 PHE A 27 54.950 -6.488 0.972 1.00 0.00 H new ATOM 0 HB3 PHE A 27 56.326 -6.861 -0.046 1.00 0.00 H new ATOM 0 HD1 PHE A 27 55.928 -6.105 -2.650 1.00 0.00 H new ATOM 0 HD2 PHE A 27 54.084 -4.325 0.796 1.00 0.00 H new ATOM 0 HE1 PHE A 27 55.545 -4.020 -3.934 1.00 0.00 H new ATOM 0 HE2 PHE A 27 53.698 -2.239 -0.489 1.00 0.00 H new ATOM 0 HZ PHE A 27 54.430 -2.086 -2.853 1.00 0.00 H new ATOM 438 N VAL A 28 56.223 -9.437 -1.072 1.00 0.00 N ATOM 439 CA VAL A 28 57.138 -10.271 -1.921 1.00 0.00 C ATOM 440 C VAL A 28 56.508 -11.645 -2.218 1.00 0.00 C ATOM 441 O VAL A 28 57.195 -12.649 -2.284 1.00 0.00 O ATOM 442 CB VAL A 28 58.438 -10.431 -1.109 1.00 0.00 C ATOM 443 CG1 VAL A 28 59.071 -9.059 -0.864 1.00 0.00 C ATOM 444 CG2 VAL A 28 58.147 -11.101 0.240 1.00 0.00 C ATOM 0 H VAL A 28 56.311 -9.586 -0.067 1.00 0.00 H new ATOM 0 HA VAL A 28 57.326 -9.799 -2.885 1.00 0.00 H new ATOM 0 HB VAL A 28 59.126 -11.056 -1.678 1.00 0.00 H new ATOM 0 HG11 VAL A 28 59.989 -9.179 -0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 28 59.300 -8.588 -1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 28 58.375 -8.431 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 28 59.075 -11.207 0.801 1.00 0.00 H new ATOM 0 HG22 VAL A 28 57.448 -10.487 0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 28 57.711 -12.086 0.071 1.00 0.00 H new ATOM 454 N LEU A 29 55.208 -11.699 -2.414 1.00 0.00 N ATOM 455 CA LEU A 29 54.548 -13.010 -2.718 1.00 0.00 C ATOM 456 C LEU A 29 54.943 -13.477 -4.123 1.00 0.00 C ATOM 457 O LEU A 29 54.498 -12.933 -5.117 1.00 0.00 O ATOM 458 CB LEU A 29 53.041 -12.740 -2.641 1.00 0.00 C ATOM 459 CG LEU A 29 52.464 -13.394 -1.382 1.00 0.00 C ATOM 460 CD1 LEU A 29 51.135 -12.725 -1.024 1.00 0.00 C ATOM 461 CD2 LEU A 29 52.226 -14.885 -1.641 1.00 0.00 C ATOM 0 H LEU A 29 54.580 -10.896 -2.377 1.00 0.00 H new ATOM 0 HA LEU A 29 54.847 -13.793 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 29 52.854 -11.666 -2.623 1.00 0.00 H new ATOM 0 HB3 LEU A 29 52.545 -13.135 -3.528 1.00 0.00 H new ATOM 0 HG LEU A 29 53.168 -13.275 -0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 29 50.723 -13.190 -0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 29 51.300 -11.664 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 29 50.433 -12.845 -1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 29 51.815 -15.349 -0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 29 51.523 -15.003 -2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 29 53.170 -15.365 -1.898 1.00 0.00 H new ATOM 473 N GLY A 30 55.790 -14.470 -4.209 1.00 0.00 N ATOM 474 CA GLY A 30 56.237 -14.971 -5.544 1.00 0.00 C ATOM 475 C GLY A 30 57.708 -14.596 -5.761 1.00 0.00 C ATOM 476 O GLY A 30 58.443 -15.304 -6.423 1.00 0.00 O ATOM 0 H GLY A 30 56.193 -14.958 -3.409 1.00 0.00 H new ATOM 0 HA2 GLY A 30 56.114 -16.053 -5.599 1.00 0.00 H new ATOM 0 HA3 GLY A 30 55.620 -14.540 -6.332 1.00 0.00 H new ATOM 480 N ALA A 31 58.144 -13.491 -5.201 1.00 0.00 N ATOM 481 CA ALA A 31 59.570 -13.075 -5.366 1.00 0.00 C ATOM 482 C ALA A 31 60.446 -13.815 -4.342 1.00 0.00 C ATOM 483 O ALA A 31 60.583 -13.396 -3.207 1.00 0.00 O ATOM 484 CB ALA A 31 59.583 -11.559 -5.114 1.00 0.00 C ATOM 0 H ALA A 31 57.572 -12.861 -4.638 1.00 0.00 H new ATOM 0 HA ALA A 31 59.965 -13.313 -6.354 1.00 0.00 H new ATOM 0 HB1 ALA A 31 60.600 -11.182 -5.218 1.00 0.00 H new ATOM 0 HB2 ALA A 31 58.936 -11.064 -5.839 1.00 0.00 H new ATOM 0 HB3 ALA A 31 59.222 -11.355 -4.106 1.00 0.00 H new ATOM 524 N CYS A 35 63.045 -9.479 -1.447 1.00 0.00 N ATOM 525 CA CYS A 35 63.199 -7.991 -1.453 1.00 0.00 C ATOM 526 C CYS A 35 62.081 -7.335 -2.271 1.00 0.00 C ATOM 527 O CYS A 35 61.358 -7.991 -2.997 1.00 0.00 O ATOM 528 CB CYS A 35 64.559 -7.733 -2.108 1.00 0.00 C ATOM 529 SG CYS A 35 65.882 -8.129 -0.937 1.00 0.00 S ATOM 0 HA CYS A 35 63.140 -7.573 -0.448 1.00 0.00 H new ATOM 0 HB2 CYS A 35 64.662 -8.340 -3.007 1.00 0.00 H new ATOM 0 HB3 CYS A 35 64.633 -6.690 -2.417 1.00 0.00 H new ATOM 0 HG CYS A 35 67.035 -7.912 -1.496 1.00 0.00 H new ATOM 535 N ILE A 36 61.949 -6.040 -2.158 1.00 0.00 N ATOM 536 CA ILE A 36 60.896 -5.310 -2.921 1.00 0.00 C ATOM 537 C ILE A 36 61.536 -4.609 -4.129 1.00 0.00 C ATOM 538 O ILE A 36 62.322 -3.690 -3.987 1.00 0.00 O ATOM 539 CB ILE A 36 60.302 -4.317 -1.900 1.00 0.00 C ATOM 540 CG1 ILE A 36 58.988 -4.892 -1.361 1.00 0.00 C ATOM 541 CG2 ILE A 36 60.030 -2.949 -2.544 1.00 0.00 C ATOM 542 CD1 ILE A 36 58.656 -4.248 -0.013 1.00 0.00 C ATOM 0 H ILE A 36 62.532 -5.451 -1.563 1.00 0.00 H new ATOM 0 HA ILE A 36 60.117 -5.954 -3.329 1.00 0.00 H new ATOM 0 HB ILE A 36 61.021 -4.175 -1.093 1.00 0.00 H new ATOM 0 HG12 ILE A 36 58.181 -4.708 -2.071 1.00 0.00 H new ATOM 0 HG13 ILE A 36 59.073 -5.973 -1.247 1.00 0.00 H new ATOM 0 HG21 ILE A 36 59.612 -2.273 -1.798 1.00 0.00 H new ATOM 0 HG22 ILE A 36 60.963 -2.535 -2.927 1.00 0.00 H new ATOM 0 HG23 ILE A 36 59.322 -3.067 -3.364 1.00 0.00 H new ATOM 0 HD11 ILE A 36 57.721 -4.660 0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 36 59.458 -4.454 0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 36 58.553 -3.170 -0.140 1.00 0.00 H new ATOM 554 N SER A 37 61.212 -5.052 -5.317 1.00 0.00 N ATOM 555 CA SER A 37 61.800 -4.434 -6.543 1.00 0.00 C ATOM 556 C SER A 37 60.743 -3.616 -7.296 1.00 0.00 C ATOM 557 O SER A 37 59.636 -3.425 -6.826 1.00 0.00 O ATOM 558 CB SER A 37 62.277 -5.613 -7.394 1.00 0.00 C ATOM 559 OG SER A 37 63.544 -5.301 -7.959 1.00 0.00 O ATOM 0 H SER A 37 60.562 -5.819 -5.491 1.00 0.00 H new ATOM 0 HA SER A 37 62.613 -3.748 -6.305 1.00 0.00 H new ATOM 0 HB2 SER A 37 62.350 -6.512 -6.782 1.00 0.00 H new ATOM 0 HB3 SER A 37 61.555 -5.822 -8.184 1.00 0.00 H new ATOM 0 HG SER A 37 63.854 -6.055 -8.504 1.00 0.00 H new ATOM 565 N THR A 38 61.083 -3.131 -8.462 1.00 0.00 N ATOM 566 CA THR A 38 60.114 -2.315 -9.263 1.00 0.00 C ATOM 567 C THR A 38 58.923 -3.172 -9.722 1.00 0.00 C ATOM 568 O THR A 38 57.787 -2.737 -9.678 1.00 0.00 O ATOM 569 CB THR A 38 60.915 -1.815 -10.472 1.00 0.00 C ATOM 570 OG1 THR A 38 61.472 -2.924 -11.165 1.00 0.00 O ATOM 571 CG2 THR A 38 62.044 -0.896 -9.998 1.00 0.00 C ATOM 0 H THR A 38 61.995 -3.264 -8.899 1.00 0.00 H new ATOM 0 HA THR A 38 59.697 -1.494 -8.679 1.00 0.00 H new ATOM 0 HB THR A 38 60.252 -1.263 -11.138 1.00 0.00 H new ATOM 0 HG1 THR A 38 61.982 -2.604 -11.938 1.00 0.00 H new ATOM 0 HG21 THR A 38 62.611 -0.542 -10.859 1.00 0.00 H new ATOM 0 HG22 THR A 38 61.620 -0.043 -9.467 1.00 0.00 H new ATOM 0 HG23 THR A 38 62.705 -1.447 -9.329 1.00 0.00 H new ATOM 579 N LYS A 39 59.177 -4.385 -10.164 1.00 0.00 N ATOM 580 CA LYS A 39 58.065 -5.279 -10.632 1.00 0.00 C ATOM 581 C LYS A 39 57.038 -5.502 -9.511 1.00 0.00 C ATOM 582 O LYS A 39 55.843 -5.425 -9.733 1.00 0.00 O ATOM 583 CB LYS A 39 58.739 -6.605 -11.001 1.00 0.00 C ATOM 584 CG LYS A 39 59.466 -6.463 -12.340 1.00 0.00 C ATOM 585 CD LYS A 39 59.910 -7.845 -12.835 1.00 0.00 C ATOM 586 CE LYS A 39 61.024 -8.383 -11.928 1.00 0.00 C ATOM 587 NZ LYS A 39 61.208 -9.808 -12.335 1.00 0.00 N ATOM 0 H LYS A 39 60.109 -4.795 -10.221 1.00 0.00 H new ATOM 0 HA LYS A 39 57.527 -4.843 -11.473 1.00 0.00 H new ATOM 0 HB2 LYS A 39 59.445 -6.893 -10.222 1.00 0.00 H new ATOM 0 HB3 LYS A 39 57.993 -7.397 -11.064 1.00 0.00 H new ATOM 0 HG2 LYS A 39 58.809 -5.997 -13.074 1.00 0.00 H new ATOM 0 HG3 LYS A 39 60.332 -5.811 -12.227 1.00 0.00 H new ATOM 0 HD2 LYS A 39 59.064 -8.532 -12.835 1.00 0.00 H new ATOM 0 HD3 LYS A 39 60.265 -7.777 -13.863 1.00 0.00 H new ATOM 0 HE2 LYS A 39 61.945 -7.815 -12.057 1.00 0.00 H new ATOM 0 HE3 LYS A 39 60.747 -8.307 -10.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 61.956 -10.241 -11.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 60.318 -10.327 -12.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 61.479 -9.850 -13.338 1.00 0.00 H new ATOM 601 N GLU A 40 57.497 -5.781 -8.315 1.00 0.00 N ATOM 602 CA GLU A 40 56.553 -6.014 -7.174 1.00 0.00 C ATOM 603 C GLU A 40 55.897 -4.692 -6.738 1.00 0.00 C ATOM 604 O GLU A 40 54.790 -4.683 -6.232 1.00 0.00 O ATOM 605 CB GLU A 40 57.413 -6.595 -6.042 1.00 0.00 C ATOM 606 CG GLU A 40 58.029 -7.929 -6.485 1.00 0.00 C ATOM 607 CD GLU A 40 59.517 -7.736 -6.790 1.00 0.00 C ATOM 608 OE1 GLU A 40 60.300 -7.756 -5.857 1.00 0.00 O ATOM 609 OE2 GLU A 40 59.846 -7.566 -7.953 1.00 0.00 O ATOM 0 H GLU A 40 58.486 -5.858 -8.078 1.00 0.00 H new ATOM 0 HA GLU A 40 55.743 -6.689 -7.449 1.00 0.00 H new ATOM 0 HB2 GLU A 40 58.202 -5.891 -5.775 1.00 0.00 H new ATOM 0 HB3 GLU A 40 56.804 -6.744 -5.151 1.00 0.00 H new ATOM 0 HG2 GLU A 40 57.903 -8.677 -5.702 1.00 0.00 H new ATOM 0 HG3 GLU A 40 57.513 -8.303 -7.369 1.00 0.00 H new ATOM 616 N LEU A 41 56.565 -3.577 -6.935 1.00 0.00 N ATOM 617 CA LEU A 41 55.970 -2.263 -6.535 1.00 0.00 C ATOM 618 C LEU A 41 54.836 -1.874 -7.493 1.00 0.00 C ATOM 619 O LEU A 41 53.733 -1.582 -7.069 1.00 0.00 O ATOM 620 CB LEU A 41 57.118 -1.245 -6.624 1.00 0.00 C ATOM 621 CG LEU A 41 56.564 0.185 -6.557 1.00 0.00 C ATOM 622 CD1 LEU A 41 55.533 0.305 -5.430 1.00 0.00 C ATOM 623 CD2 LEU A 41 57.714 1.156 -6.296 1.00 0.00 C ATOM 0 H LEU A 41 57.493 -3.522 -7.354 1.00 0.00 H new ATOM 0 HA LEU A 41 55.542 -2.303 -5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 41 57.823 -1.408 -5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 41 57.668 -1.387 -7.554 1.00 0.00 H new ATOM 0 HG LEU A 41 56.080 0.424 -7.504 1.00 0.00 H new ATOM 0 HD11 LEU A 41 55.149 1.325 -5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 41 54.711 -0.386 -5.614 1.00 0.00 H new ATOM 0 HD13 LEU A 41 56.005 0.062 -4.478 1.00 0.00 H new ATOM 0 HD21 LEU A 41 57.327 2.174 -6.247 1.00 0.00 H new ATOM 0 HD22 LEU A 41 58.195 0.905 -5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 41 58.442 1.083 -7.104 1.00 0.00 H new ATOM 635 N GLY A 42 55.102 -1.858 -8.777 1.00 0.00 N ATOM 636 CA GLY A 42 54.046 -1.475 -9.765 1.00 0.00 C ATOM 637 C GLY A 42 52.814 -2.377 -9.608 1.00 0.00 C ATOM 638 O GLY A 42 51.692 -1.928 -9.755 1.00 0.00 O ATOM 0 H GLY A 42 56.007 -2.094 -9.184 1.00 0.00 H new ATOM 0 HA2 GLY A 42 53.763 -0.433 -9.618 1.00 0.00 H new ATOM 0 HA3 GLY A 42 54.439 -1.559 -10.778 1.00 0.00 H new ATOM 642 N LYS A 43 53.010 -3.638 -9.297 1.00 0.00 N ATOM 643 CA LYS A 43 51.841 -4.560 -9.114 1.00 0.00 C ATOM 644 C LYS A 43 50.895 -3.999 -8.040 1.00 0.00 C ATOM 645 O LYS A 43 49.687 -4.091 -8.158 1.00 0.00 O ATOM 646 CB LYS A 43 52.444 -5.898 -8.669 1.00 0.00 C ATOM 647 CG LYS A 43 52.011 -7.005 -9.637 1.00 0.00 C ATOM 648 CD LYS A 43 52.667 -6.785 -11.006 1.00 0.00 C ATOM 649 CE LYS A 43 53.797 -7.798 -11.202 1.00 0.00 C ATOM 650 NZ LYS A 43 54.573 -7.297 -12.374 1.00 0.00 N ATOM 0 H LYS A 43 53.925 -4.068 -9.162 1.00 0.00 H new ATOM 0 HA LYS A 43 51.255 -4.673 -10.026 1.00 0.00 H new ATOM 0 HB2 LYS A 43 53.531 -5.828 -8.644 1.00 0.00 H new ATOM 0 HB3 LYS A 43 52.117 -6.137 -7.657 1.00 0.00 H new ATOM 0 HG2 LYS A 43 52.295 -7.979 -9.240 1.00 0.00 H new ATOM 0 HG3 LYS A 43 50.926 -7.007 -9.740 1.00 0.00 H new ATOM 0 HD2 LYS A 43 51.926 -6.894 -11.798 1.00 0.00 H new ATOM 0 HD3 LYS A 43 53.059 -5.770 -11.074 1.00 0.00 H new ATOM 0 HE2 LYS A 43 54.425 -7.864 -10.313 1.00 0.00 H new ATOM 0 HE3 LYS A 43 53.402 -8.797 -11.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 55.365 -7.942 -12.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 53.952 -7.251 -13.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 54.943 -6.348 -12.165 1.00 0.00 H new ATOM 664 N VAL A 44 51.439 -3.400 -7.007 1.00 0.00 N ATOM 665 CA VAL A 44 50.580 -2.806 -5.934 1.00 0.00 C ATOM 666 C VAL A 44 50.157 -1.382 -6.335 1.00 0.00 C ATOM 667 O VAL A 44 49.081 -0.931 -5.994 1.00 0.00 O ATOM 668 CB VAL A 44 51.464 -2.783 -4.679 1.00 0.00 C ATOM 669 CG1 VAL A 44 50.728 -2.082 -3.535 1.00 0.00 C ATOM 670 CG2 VAL A 44 51.792 -4.218 -4.257 1.00 0.00 C ATOM 0 H VAL A 44 52.443 -3.297 -6.861 1.00 0.00 H new ATOM 0 HA VAL A 44 49.665 -3.375 -5.767 1.00 0.00 H new ATOM 0 HB VAL A 44 52.384 -2.244 -4.904 1.00 0.00 H new ATOM 0 HG11 VAL A 44 51.362 -2.070 -2.648 1.00 0.00 H new ATOM 0 HG12 VAL A 44 50.493 -1.059 -3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 44 49.805 -2.618 -3.314 1.00 0.00 H new ATOM 0 HG21 VAL A 44 52.420 -4.201 -3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 44 50.868 -4.754 -4.040 1.00 0.00 H new ATOM 0 HG23 VAL A 44 52.322 -4.723 -5.065 1.00 0.00 H new ATOM 680 N MET A 45 50.995 -0.678 -7.066 1.00 0.00 N ATOM 681 CA MET A 45 50.644 0.713 -7.503 1.00 0.00 C ATOM 682 C MET A 45 49.347 0.693 -8.322 1.00 0.00 C ATOM 683 O MET A 45 48.403 1.399 -8.018 1.00 0.00 O ATOM 684 CB MET A 45 51.821 1.179 -8.370 1.00 0.00 C ATOM 685 CG MET A 45 53.040 1.462 -7.487 1.00 0.00 C ATOM 686 SD MET A 45 53.544 3.189 -7.687 1.00 0.00 S ATOM 687 CE MET A 45 54.230 3.417 -6.028 1.00 0.00 C ATOM 0 H MET A 45 51.908 -1.009 -7.378 1.00 0.00 H new ATOM 0 HA MET A 45 50.481 1.380 -6.657 1.00 0.00 H new ATOM 0 HB2 MET A 45 52.065 0.415 -9.108 1.00 0.00 H new ATOM 0 HB3 MET A 45 51.544 2.078 -8.921 1.00 0.00 H new ATOM 0 HG2 MET A 45 52.800 1.261 -6.443 1.00 0.00 H new ATOM 0 HG3 MET A 45 53.861 0.799 -7.759 1.00 0.00 H new ATOM 0 HE1 MET A 45 54.099 4.454 -5.720 1.00 0.00 H new ATOM 0 HE2 MET A 45 53.712 2.762 -5.327 1.00 0.00 H new ATOM 0 HE3 MET A 45 55.292 3.172 -6.037 1.00 0.00 H new ATOM 697 N ARG A 46 49.287 -0.125 -9.349 1.00 0.00 N ATOM 698 CA ARG A 46 48.039 -0.204 -10.176 1.00 0.00 C ATOM 699 C ARG A 46 46.878 -0.740 -9.323 1.00 0.00 C ATOM 700 O ARG A 46 45.730 -0.409 -9.549 1.00 0.00 O ATOM 701 CB ARG A 46 48.370 -1.154 -11.338 1.00 0.00 C ATOM 702 CG ARG A 46 48.586 -2.583 -10.822 1.00 0.00 C ATOM 703 CD ARG A 46 47.298 -3.392 -10.997 1.00 0.00 C ATOM 704 NE ARG A 46 47.731 -4.818 -10.946 1.00 0.00 N ATOM 705 CZ ARG A 46 47.160 -5.643 -10.117 1.00 0.00 C ATOM 706 NH1 ARG A 46 47.547 -5.685 -8.875 1.00 0.00 N ATOM 707 NH2 ARG A 46 46.206 -6.426 -10.535 1.00 0.00 N ATOM 0 H ARG A 46 50.045 -0.738 -9.649 1.00 0.00 H new ATOM 0 HA ARG A 46 47.727 0.771 -10.550 1.00 0.00 H new ATOM 0 HB2 ARG A 46 47.559 -1.143 -12.066 1.00 0.00 H new ATOM 0 HB3 ARG A 46 49.266 -0.808 -11.854 1.00 0.00 H new ATOM 0 HG2 ARG A 46 49.402 -3.058 -11.366 1.00 0.00 H new ATOM 0 HG3 ARG A 46 48.874 -2.561 -9.771 1.00 0.00 H new ATOM 0 HD2 ARG A 46 46.581 -3.168 -10.207 1.00 0.00 H new ATOM 0 HD3 ARG A 46 46.812 -3.160 -11.945 1.00 0.00 H new ATOM 0 HE ARG A 46 48.475 -5.147 -11.561 1.00 0.00 H new ATOM 0 HH11 ARG A 46 48.296 -5.072 -8.553 1.00 0.00 H new ATOM 0 HH12 ARG A 46 47.101 -6.331 -8.223 1.00 0.00 H new ATOM 0 HH21 ARG A 46 45.908 -6.392 -11.510 1.00 0.00 H new ATOM 0 HH22 ARG A 46 45.757 -7.073 -9.887 1.00 0.00 H new ATOM 721 N MET A 47 47.176 -1.547 -8.330 1.00 0.00 N ATOM 722 CA MET A 47 46.102 -2.088 -7.441 1.00 0.00 C ATOM 723 C MET A 47 45.485 -0.940 -6.624 1.00 0.00 C ATOM 724 O MET A 47 44.295 -0.916 -6.376 1.00 0.00 O ATOM 725 CB MET A 47 46.818 -3.089 -6.529 1.00 0.00 C ATOM 726 CG MET A 47 45.792 -3.870 -5.704 1.00 0.00 C ATOM 727 SD MET A 47 46.523 -4.316 -4.108 1.00 0.00 S ATOM 728 CE MET A 47 46.575 -2.651 -3.395 1.00 0.00 C ATOM 0 H MET A 47 48.121 -1.854 -8.098 1.00 0.00 H new ATOM 0 HA MET A 47 45.289 -2.559 -7.993 1.00 0.00 H new ATOM 0 HB2 MET A 47 47.415 -3.777 -7.128 1.00 0.00 H new ATOM 0 HB3 MET A 47 47.506 -2.563 -5.867 1.00 0.00 H new ATOM 0 HG2 MET A 47 44.896 -3.268 -5.551 1.00 0.00 H new ATOM 0 HG3 MET A 47 45.485 -4.768 -6.240 1.00 0.00 H new ATOM 0 HE1 MET A 47 46.386 -2.708 -2.323 1.00 0.00 H new ATOM 0 HE2 MET A 47 47.558 -2.212 -3.567 1.00 0.00 H new ATOM 0 HE3 MET A 47 45.813 -2.030 -3.865 1.00 0.00 H new ATOM 738 N LEU A 48 46.290 0.017 -6.221 1.00 0.00 N ATOM 739 CA LEU A 48 45.759 1.178 -5.437 1.00 0.00 C ATOM 740 C LEU A 48 45.004 2.137 -6.366 1.00 0.00 C ATOM 741 O LEU A 48 43.969 2.670 -6.014 1.00 0.00 O ATOM 742 CB LEU A 48 46.996 1.875 -4.859 1.00 0.00 C ATOM 743 CG LEU A 48 47.475 1.136 -3.608 1.00 0.00 C ATOM 744 CD1 LEU A 48 48.865 1.642 -3.220 1.00 0.00 C ATOM 745 CD2 LEU A 48 46.504 1.399 -2.454 1.00 0.00 C ATOM 0 H LEU A 48 47.293 0.043 -6.402 1.00 0.00 H new ATOM 0 HA LEU A 48 45.066 0.862 -4.658 1.00 0.00 H new ATOM 0 HB2 LEU A 48 47.791 1.900 -5.604 1.00 0.00 H new ATOM 0 HB3 LEU A 48 46.759 2.910 -4.612 1.00 0.00 H new ATOM 0 HG LEU A 48 47.517 0.066 -3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 48 49.208 1.116 -2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 48 49.561 1.459 -4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 48 48.819 2.712 -3.015 1.00 0.00 H new ATOM 0 HD21 LEU A 48 46.846 0.872 -1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 48 46.463 2.469 -2.249 1.00 0.00 H new ATOM 0 HD23 LEU A 48 45.510 1.044 -2.726 1.00 0.00 H new ATOM 757 N GLY A 49 45.524 2.361 -7.548 1.00 0.00 N ATOM 758 CA GLY A 49 44.851 3.287 -8.509 1.00 0.00 C ATOM 759 C GLY A 49 45.896 4.155 -9.218 1.00 0.00 C ATOM 760 O GLY A 49 45.907 4.256 -10.429 1.00 0.00 O ATOM 0 H GLY A 49 46.389 1.941 -7.889 1.00 0.00 H new ATOM 0 HA2 GLY A 49 44.284 2.714 -9.242 1.00 0.00 H new ATOM 0 HA3 GLY A 49 44.139 3.920 -7.979 1.00 0.00 H new ATOM 764 N GLN A 50 46.772 4.788 -8.472 1.00 0.00 N ATOM 765 CA GLN A 50 47.814 5.658 -9.105 1.00 0.00 C ATOM 766 C GLN A 50 49.030 4.824 -9.537 1.00 0.00 C ATOM 767 O GLN A 50 49.886 4.491 -8.738 1.00 0.00 O ATOM 768 CB GLN A 50 48.205 6.673 -8.022 1.00 0.00 C ATOM 769 CG GLN A 50 47.308 7.911 -8.131 1.00 0.00 C ATOM 770 CD GLN A 50 48.141 9.125 -8.557 1.00 0.00 C ATOM 771 OE1 GLN A 50 48.467 9.967 -7.745 1.00 0.00 O ATOM 772 NE2 GLN A 50 48.494 9.257 -9.805 1.00 0.00 N ATOM 0 H GLN A 50 46.810 4.739 -7.454 1.00 0.00 H new ATOM 0 HA GLN A 50 47.442 6.149 -10.004 1.00 0.00 H new ATOM 0 HB2 GLN A 50 48.103 6.224 -7.034 1.00 0.00 H new ATOM 0 HB3 GLN A 50 49.251 6.958 -8.137 1.00 0.00 H new ATOM 0 HG2 GLN A 50 46.514 7.732 -8.856 1.00 0.00 H new ATOM 0 HG3 GLN A 50 46.827 8.108 -7.173 1.00 0.00 H new ATOM 0 HE21 GLN A 50 48.222 8.551 -10.489 1.00 0.00 H new ATOM 0 HE22 GLN A 50 49.043 10.066 -10.097 1.00 0.00 H new ATOM 781 N ASN A 51 49.108 4.491 -10.801 1.00 0.00 N ATOM 782 CA ASN A 51 50.262 3.685 -11.308 1.00 0.00 C ATOM 783 C ASN A 51 50.870 4.360 -12.548 1.00 0.00 C ATOM 784 O ASN A 51 50.332 4.249 -13.634 1.00 0.00 O ATOM 785 CB ASN A 51 49.658 2.323 -11.668 1.00 0.00 C ATOM 786 CG ASN A 51 50.760 1.386 -12.168 1.00 0.00 C ATOM 787 OD1 ASN A 51 51.469 0.790 -11.385 1.00 0.00 O ATOM 788 ND2 ASN A 51 50.934 1.230 -13.450 1.00 0.00 N ATOM 0 H ASN A 51 48.418 4.744 -11.508 1.00 0.00 H new ATOM 0 HA ASN A 51 51.064 3.592 -10.576 1.00 0.00 H new ATOM 0 HB2 ASN A 51 49.167 1.890 -10.796 1.00 0.00 H new ATOM 0 HB3 ASN A 51 48.894 2.445 -12.436 1.00 0.00 H new ATOM 0 HD21 ASN A 51 51.665 0.608 -13.793 1.00 0.00 H new ATOM 0 HD22 ASN A 51 50.339 1.730 -14.110 1.00 0.00 H new ATOM 795 N PRO A 52 51.971 5.048 -12.344 1.00 0.00 N ATOM 796 CA PRO A 52 52.647 5.754 -13.465 1.00 0.00 C ATOM 797 C PRO A 52 53.367 4.758 -14.400 1.00 0.00 C ATOM 798 O PRO A 52 52.777 4.249 -15.335 1.00 0.00 O ATOM 799 CB PRO A 52 53.629 6.690 -12.757 1.00 0.00 C ATOM 800 CG PRO A 52 53.893 6.054 -11.428 1.00 0.00 C ATOM 801 CD PRO A 52 52.678 5.236 -11.068 1.00 0.00 C ATOM 0 HA PRO A 52 51.955 6.292 -14.112 1.00 0.00 H new ATOM 0 HB2 PRO A 52 54.550 6.800 -13.330 1.00 0.00 H new ATOM 0 HB3 PRO A 52 53.206 7.687 -12.639 1.00 0.00 H new ATOM 0 HG2 PRO A 52 54.780 5.423 -11.475 1.00 0.00 H new ATOM 0 HG3 PRO A 52 54.082 6.814 -10.670 1.00 0.00 H new ATOM 0 HD2 PRO A 52 52.959 4.281 -10.625 1.00 0.00 H new ATOM 0 HD3 PRO A 52 52.053 5.753 -10.340 1.00 0.00 H new ATOM 809 N THR A 53 54.632 4.483 -14.169 1.00 0.00 N ATOM 810 CA THR A 53 55.372 3.530 -15.064 1.00 0.00 C ATOM 811 C THR A 53 56.287 2.615 -14.234 1.00 0.00 C ATOM 812 O THR A 53 56.756 3.005 -13.182 1.00 0.00 O ATOM 813 CB THR A 53 56.211 4.408 -16.018 1.00 0.00 C ATOM 814 OG1 THR A 53 55.927 5.789 -15.811 1.00 0.00 O ATOM 815 CG2 THR A 53 55.881 4.043 -17.466 1.00 0.00 C ATOM 0 H THR A 53 55.182 4.875 -13.404 1.00 0.00 H new ATOM 0 HA THR A 53 54.686 2.885 -15.614 1.00 0.00 H new ATOM 0 HB THR A 53 57.267 4.230 -15.815 1.00 0.00 H new ATOM 0 HG1 THR A 53 56.469 6.330 -16.423 1.00 0.00 H new ATOM 0 HG21 THR A 53 56.472 4.662 -18.141 1.00 0.00 H new ATOM 0 HG22 THR A 53 56.114 2.992 -17.639 1.00 0.00 H new ATOM 0 HG23 THR A 53 54.821 4.214 -17.652 1.00 0.00 H new ATOM 823 N PRO A 54 56.517 1.422 -14.742 1.00 0.00 N ATOM 824 CA PRO A 54 57.391 0.446 -14.034 1.00 0.00 C ATOM 825 C PRO A 54 58.852 0.913 -14.055 1.00 0.00 C ATOM 826 O PRO A 54 59.561 0.798 -13.073 1.00 0.00 O ATOM 827 CB PRO A 54 57.215 -0.844 -14.832 1.00 0.00 C ATOM 828 CG PRO A 54 56.788 -0.399 -16.193 1.00 0.00 C ATOM 829 CD PRO A 54 56.001 0.873 -16.006 1.00 0.00 C ATOM 0 HA PRO A 54 57.131 0.326 -12.982 1.00 0.00 H new ATOM 0 HB2 PRO A 54 58.145 -1.412 -14.875 1.00 0.00 H new ATOM 0 HB3 PRO A 54 56.467 -1.492 -14.375 1.00 0.00 H new ATOM 0 HG2 PRO A 54 57.653 -0.228 -16.833 1.00 0.00 H new ATOM 0 HG3 PRO A 54 56.179 -1.163 -16.677 1.00 0.00 H new ATOM 0 HD2 PRO A 54 56.155 1.564 -16.835 1.00 0.00 H new ATOM 0 HD3 PRO A 54 54.930 0.676 -15.949 1.00 0.00 H new ATOM 837 N GLU A 55 59.301 1.450 -15.164 1.00 0.00 N ATOM 838 CA GLU A 55 60.712 1.939 -15.247 1.00 0.00 C ATOM 839 C GLU A 55 60.904 3.140 -14.310 1.00 0.00 C ATOM 840 O GLU A 55 61.972 3.348 -13.767 1.00 0.00 O ATOM 841 CB GLU A 55 60.910 2.352 -16.707 1.00 0.00 C ATOM 842 CG GLU A 55 61.315 1.126 -17.531 1.00 0.00 C ATOM 843 CD GLU A 55 60.071 0.304 -17.886 1.00 0.00 C ATOM 844 OE1 GLU A 55 59.268 0.785 -18.668 1.00 0.00 O ATOM 845 OE2 GLU A 55 59.945 -0.793 -17.367 1.00 0.00 O ATOM 0 H GLU A 55 58.751 1.570 -16.015 1.00 0.00 H new ATOM 0 HA GLU A 55 61.433 1.180 -14.945 1.00 0.00 H new ATOM 0 HB2 GLU A 55 59.990 2.782 -17.103 1.00 0.00 H new ATOM 0 HB3 GLU A 55 61.678 3.122 -16.778 1.00 0.00 H new ATOM 0 HG2 GLU A 55 61.826 1.441 -18.441 1.00 0.00 H new ATOM 0 HG3 GLU A 55 62.018 0.513 -16.967 1.00 0.00 H new ATOM 852 N GLU A 56 59.867 3.922 -14.109 1.00 0.00 N ATOM 853 CA GLU A 56 59.971 5.103 -13.197 1.00 0.00 C ATOM 854 C GLU A 56 60.256 4.641 -11.760 1.00 0.00 C ATOM 855 O GLU A 56 60.969 5.299 -11.024 1.00 0.00 O ATOM 856 CB GLU A 56 58.607 5.795 -13.282 1.00 0.00 C ATOM 857 CG GLU A 56 58.664 7.142 -12.555 1.00 0.00 C ATOM 858 CD GLU A 56 57.246 7.592 -12.202 1.00 0.00 C ATOM 859 OE1 GLU A 56 56.589 8.147 -13.067 1.00 0.00 O ATOM 860 OE2 GLU A 56 56.843 7.379 -11.071 1.00 0.00 O ATOM 0 H GLU A 56 58.952 3.791 -14.540 1.00 0.00 H new ATOM 0 HA GLU A 56 60.783 5.773 -13.480 1.00 0.00 H new ATOM 0 HB2 GLU A 56 58.329 5.946 -14.325 1.00 0.00 H new ATOM 0 HB3 GLU A 56 57.839 5.163 -12.836 1.00 0.00 H new ATOM 0 HG2 GLU A 56 59.265 7.053 -11.650 1.00 0.00 H new ATOM 0 HG3 GLU A 56 59.147 7.888 -13.186 1.00 0.00 H new ATOM 867 N LEU A 57 59.717 3.511 -11.355 1.00 0.00 N ATOM 868 CA LEU A 57 59.977 3.017 -9.967 1.00 0.00 C ATOM 869 C LEU A 57 61.454 2.623 -9.810 1.00 0.00 C ATOM 870 O LEU A 57 61.992 2.661 -8.721 1.00 0.00 O ATOM 871 CB LEU A 57 59.068 1.798 -9.770 1.00 0.00 C ATOM 872 CG LEU A 57 57.603 2.176 -10.030 1.00 0.00 C ATOM 873 CD1 LEU A 57 56.746 0.910 -10.040 1.00 0.00 C ATOM 874 CD2 LEU A 57 57.103 3.119 -8.930 1.00 0.00 C ATOM 0 H LEU A 57 59.114 2.916 -11.923 1.00 0.00 H new ATOM 0 HA LEU A 57 59.769 3.786 -9.223 1.00 0.00 H new ATOM 0 HB2 LEU A 57 59.370 0.998 -10.446 1.00 0.00 H new ATOM 0 HB3 LEU A 57 59.177 1.415 -8.755 1.00 0.00 H new ATOM 0 HG LEU A 57 57.529 2.679 -10.994 1.00 0.00 H new ATOM 0 HD11 LEU A 57 55.705 1.177 -10.224 1.00 0.00 H new ATOM 0 HD12 LEU A 57 57.094 0.241 -10.827 1.00 0.00 H new ATOM 0 HD13 LEU A 57 56.827 0.408 -9.076 1.00 0.00 H new ATOM 0 HD21 LEU A 57 56.063 3.383 -9.122 1.00 0.00 H new ATOM 0 HD22 LEU A 57 57.179 2.622 -7.963 1.00 0.00 H new ATOM 0 HD23 LEU A 57 57.711 4.024 -8.922 1.00 0.00 H new ATOM 886 N GLN A 58 62.124 2.264 -10.888 1.00 0.00 N ATOM 887 CA GLN A 58 63.573 1.899 -10.780 1.00 0.00 C ATOM 888 C GLN A 58 64.369 3.138 -10.334 1.00 0.00 C ATOM 889 O GLN A 58 65.364 3.035 -9.645 1.00 0.00 O ATOM 890 CB GLN A 58 63.978 1.404 -12.185 1.00 0.00 C ATOM 891 CG GLN A 58 64.830 2.447 -12.925 1.00 0.00 C ATOM 892 CD GLN A 58 66.312 2.217 -12.608 1.00 0.00 C ATOM 893 OE1 GLN A 58 66.830 1.141 -12.823 1.00 0.00 O ATOM 894 NE2 GLN A 58 67.022 3.187 -12.104 1.00 0.00 N ATOM 0 H GLN A 58 61.731 2.210 -11.828 1.00 0.00 H new ATOM 0 HA GLN A 58 63.773 1.122 -10.042 1.00 0.00 H new ATOM 0 HB2 GLN A 58 64.537 0.472 -12.097 1.00 0.00 H new ATOM 0 HB3 GLN A 58 63.083 1.185 -12.767 1.00 0.00 H new ATOM 0 HG2 GLN A 58 64.662 2.373 -13.999 1.00 0.00 H new ATOM 0 HG3 GLN A 58 64.535 3.452 -12.624 1.00 0.00 H new ATOM 0 HE21 GLN A 58 66.591 4.093 -11.922 1.00 0.00 H new ATOM 0 HE22 GLN A 58 68.009 3.040 -11.892 1.00 0.00 H new ATOM 903 N GLU A 59 63.905 4.312 -10.689 1.00 0.00 N ATOM 904 CA GLU A 59 64.592 5.559 -10.244 1.00 0.00 C ATOM 905 C GLU A 59 64.134 5.864 -8.810 1.00 0.00 C ATOM 906 O GLU A 59 64.879 6.383 -8.001 1.00 0.00 O ATOM 907 CB GLU A 59 64.125 6.652 -11.213 1.00 0.00 C ATOM 908 CG GLU A 59 64.804 6.458 -12.575 1.00 0.00 C ATOM 909 CD GLU A 59 66.266 6.902 -12.492 1.00 0.00 C ATOM 910 OE1 GLU A 59 66.511 8.091 -12.610 1.00 0.00 O ATOM 911 OE2 GLU A 59 67.115 6.046 -12.312 1.00 0.00 O ATOM 0 H GLU A 59 63.079 4.458 -11.269 1.00 0.00 H new ATOM 0 HA GLU A 59 65.679 5.482 -10.247 1.00 0.00 H new ATOM 0 HB2 GLU A 59 63.042 6.612 -11.327 1.00 0.00 H new ATOM 0 HB3 GLU A 59 64.368 7.636 -10.811 1.00 0.00 H new ATOM 0 HG2 GLU A 59 64.748 5.411 -12.874 1.00 0.00 H new ATOM 0 HG3 GLU A 59 64.282 7.035 -13.338 1.00 0.00 H new ATOM 918 N MET A 60 62.905 5.512 -8.498 1.00 0.00 N ATOM 919 CA MET A 60 62.360 5.735 -7.124 1.00 0.00 C ATOM 920 C MET A 60 63.065 4.808 -6.124 1.00 0.00 C ATOM 921 O MET A 60 63.452 5.224 -5.048 1.00 0.00 O ATOM 922 CB MET A 60 60.872 5.373 -7.225 1.00 0.00 C ATOM 923 CG MET A 60 60.141 6.421 -8.070 1.00 0.00 C ATOM 924 SD MET A 60 58.943 7.301 -7.036 1.00 0.00 S ATOM 925 CE MET A 60 57.455 6.506 -7.687 1.00 0.00 C ATOM 0 H MET A 60 62.252 5.075 -9.148 1.00 0.00 H new ATOM 0 HA MET A 60 62.511 6.758 -6.779 1.00 0.00 H new ATOM 0 HB2 MET A 60 60.758 4.386 -7.674 1.00 0.00 H new ATOM 0 HB3 MET A 60 60.432 5.323 -6.229 1.00 0.00 H new ATOM 0 HG2 MET A 60 60.857 7.125 -8.495 1.00 0.00 H new ATOM 0 HG3 MET A 60 59.632 5.940 -8.905 1.00 0.00 H new ATOM 0 HE1 MET A 60 56.583 7.115 -7.448 1.00 0.00 H new ATOM 0 HE2 MET A 60 57.541 6.404 -8.769 1.00 0.00 H new ATOM 0 HE3 MET A 60 57.343 5.519 -7.237 1.00 0.00 H new ATOM 935 N ILE A 61 63.239 3.556 -6.478 1.00 0.00 N ATOM 936 CA ILE A 61 63.926 2.595 -5.558 1.00 0.00 C ATOM 937 C ILE A 61 65.377 3.042 -5.310 1.00 0.00 C ATOM 938 O ILE A 61 65.924 2.818 -4.250 1.00 0.00 O ATOM 939 CB ILE A 61 63.868 1.233 -6.277 1.00 0.00 C ATOM 940 CG1 ILE A 61 64.041 0.106 -5.256 1.00 0.00 C ATOM 941 CG2 ILE A 61 64.977 1.133 -7.328 1.00 0.00 C ATOM 942 CD1 ILE A 61 63.621 -1.223 -5.892 1.00 0.00 C ATOM 0 H ILE A 61 62.934 3.158 -7.366 1.00 0.00 H new ATOM 0 HA ILE A 61 63.450 2.543 -4.579 1.00 0.00 H new ATOM 0 HB ILE A 61 62.901 1.142 -6.771 1.00 0.00 H new ATOM 0 HG12 ILE A 61 65.079 0.053 -4.928 1.00 0.00 H new ATOM 0 HG13 ILE A 61 63.437 0.306 -4.371 1.00 0.00 H new ATOM 0 HG21 ILE A 61 64.921 0.165 -7.825 1.00 0.00 H new ATOM 0 HG22 ILE A 61 64.853 1.927 -8.064 1.00 0.00 H new ATOM 0 HG23 ILE A 61 65.948 1.236 -6.843 1.00 0.00 H new ATOM 0 HD11 ILE A 61 63.743 -2.028 -5.167 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.576 -1.166 -6.198 1.00 0.00 H new ATOM 0 HD13 ILE A 61 64.244 -1.422 -6.764 1.00 0.00 H new ATOM 954 N ASP A 62 65.995 3.680 -6.280 1.00 0.00 N ATOM 955 CA ASP A 62 67.407 4.151 -6.105 1.00 0.00 C ATOM 956 C ASP A 62 67.495 5.217 -5.001 1.00 0.00 C ATOM 957 O ASP A 62 68.462 5.269 -4.265 1.00 0.00 O ATOM 958 CB ASP A 62 67.797 4.746 -7.461 1.00 0.00 C ATOM 959 CG ASP A 62 69.313 4.942 -7.516 1.00 0.00 C ATOM 960 OD1 ASP A 62 70.017 3.951 -7.616 1.00 0.00 O ATOM 961 OD2 ASP A 62 69.744 6.082 -7.460 1.00 0.00 O ATOM 0 H ASP A 62 65.580 3.894 -7.187 1.00 0.00 H new ATOM 0 HA ASP A 62 68.072 3.341 -5.805 1.00 0.00 H new ATOM 0 HB2 ASP A 62 67.476 4.085 -8.266 1.00 0.00 H new ATOM 0 HB3 ASP A 62 67.291 5.700 -7.611 1.00 0.00 H new ATOM 966 N GLU A 63 66.492 6.060 -4.876 1.00 0.00 N ATOM 967 CA GLU A 63 66.515 7.119 -3.809 1.00 0.00 C ATOM 968 C GLU A 63 66.822 6.490 -2.440 1.00 0.00 C ATOM 969 O GLU A 63 67.546 7.050 -1.638 1.00 0.00 O ATOM 970 CB GLU A 63 65.109 7.730 -3.818 1.00 0.00 C ATOM 971 CG GLU A 63 65.205 9.249 -3.632 1.00 0.00 C ATOM 972 CD GLU A 63 63.873 9.899 -4.011 1.00 0.00 C ATOM 973 OE1 GLU A 63 63.688 10.187 -5.182 1.00 0.00 O ATOM 974 OE2 GLU A 63 63.060 10.102 -3.123 1.00 0.00 O ATOM 0 H GLU A 63 65.660 6.061 -5.466 1.00 0.00 H new ATOM 0 HA GLU A 63 67.284 7.869 -3.992 1.00 0.00 H new ATOM 0 HB2 GLU A 63 64.608 7.500 -4.758 1.00 0.00 H new ATOM 0 HB3 GLU A 63 64.507 7.294 -3.021 1.00 0.00 H new ATOM 0 HG2 GLU A 63 65.454 9.484 -2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 63 66.007 9.651 -4.252 1.00 0.00 H new ATOM 981 N VAL A 64 66.285 5.322 -2.180 1.00 0.00 N ATOM 982 CA VAL A 64 66.552 4.632 -0.879 1.00 0.00 C ATOM 983 C VAL A 64 67.625 3.545 -1.071 1.00 0.00 C ATOM 984 O VAL A 64 68.308 3.167 -0.138 1.00 0.00 O ATOM 985 CB VAL A 64 65.212 4.000 -0.476 1.00 0.00 C ATOM 986 CG1 VAL A 64 65.371 3.255 0.853 1.00 0.00 C ATOM 987 CG2 VAL A 64 64.152 5.094 -0.317 1.00 0.00 C ATOM 0 H VAL A 64 65.670 4.815 -2.817 1.00 0.00 H new ATOM 0 HA VAL A 64 66.921 5.317 -0.116 1.00 0.00 H new ATOM 0 HB VAL A 64 64.901 3.300 -1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 64 64.418 2.808 1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 64 66.121 2.472 0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 64 65.687 3.955 1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 64 63.202 4.642 -0.031 1.00 0.00 H new ATOM 0 HG22 VAL A 64 64.467 5.796 0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 64 64.031 5.624 -1.262 1.00 0.00 H new ATOM 997 N ASP A 65 67.767 3.040 -2.275 1.00 0.00 N ATOM 998 CA ASP A 65 68.779 1.975 -2.544 1.00 0.00 C ATOM 999 C ASP A 65 70.185 2.589 -2.694 1.00 0.00 C ATOM 1000 O ASP A 65 70.884 2.769 -1.715 1.00 0.00 O ATOM 1001 CB ASP A 65 68.300 1.311 -3.847 1.00 0.00 C ATOM 1002 CG ASP A 65 69.186 0.114 -4.190 1.00 0.00 C ATOM 1003 OD1 ASP A 65 70.169 0.303 -4.886 1.00 0.00 O ATOM 1004 OD2 ASP A 65 68.862 -0.974 -3.758 1.00 0.00 O ATOM 0 H ASP A 65 67.219 3.325 -3.087 1.00 0.00 H new ATOM 0 HA ASP A 65 68.861 1.252 -1.732 1.00 0.00 H new ATOM 0 HB2 ASP A 65 67.265 0.987 -3.739 1.00 0.00 H new ATOM 0 HB3 ASP A 65 68.324 2.035 -4.662 1.00 0.00 H new ATOM 1009 N GLU A 66 70.604 2.904 -3.905 1.00 0.00 N ATOM 1010 CA GLU A 66 71.966 3.497 -4.123 1.00 0.00 C ATOM 1011 C GLU A 66 73.044 2.709 -3.351 1.00 0.00 C ATOM 1012 O GLU A 66 74.026 3.268 -2.898 1.00 0.00 O ATOM 1013 CB GLU A 66 71.861 4.935 -3.604 1.00 0.00 C ATOM 1014 CG GLU A 66 71.696 5.897 -4.786 1.00 0.00 C ATOM 1015 CD GLU A 66 72.808 6.947 -4.758 1.00 0.00 C ATOM 1016 OE1 GLU A 66 72.620 7.963 -4.109 1.00 0.00 O ATOM 1017 OE2 GLU A 66 73.827 6.719 -5.388 1.00 0.00 O ATOM 0 H GLU A 66 70.055 2.774 -4.755 1.00 0.00 H new ATOM 0 HA GLU A 66 72.261 3.462 -5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 66 71.012 5.027 -2.926 1.00 0.00 H new ATOM 0 HB3 GLU A 66 72.754 5.193 -3.034 1.00 0.00 H new ATOM 0 HG2 GLU A 66 71.729 5.344 -5.725 1.00 0.00 H new ATOM 0 HG3 GLU A 66 70.722 6.384 -4.737 1.00 0.00 H new ATOM 1024 N ASP A 67 72.865 1.418 -3.194 1.00 0.00 N ATOM 1025 CA ASP A 67 73.872 0.601 -2.445 1.00 0.00 C ATOM 1026 C ASP A 67 74.504 -0.484 -3.339 1.00 0.00 C ATOM 1027 O ASP A 67 75.325 -1.260 -2.886 1.00 0.00 O ATOM 1028 CB ASP A 67 73.083 -0.024 -1.279 1.00 0.00 C ATOM 1029 CG ASP A 67 72.237 -1.215 -1.756 1.00 0.00 C ATOM 1030 OD1 ASP A 67 71.680 -1.141 -2.837 1.00 0.00 O ATOM 1031 OD2 ASP A 67 72.147 -2.181 -1.020 1.00 0.00 O ATOM 0 H ASP A 67 72.065 0.896 -3.552 1.00 0.00 H new ATOM 0 HA ASP A 67 74.707 1.209 -2.097 1.00 0.00 H new ATOM 0 HB2 ASP A 67 73.775 -0.353 -0.504 1.00 0.00 H new ATOM 0 HB3 ASP A 67 72.435 0.729 -0.830 1.00 0.00 H new ATOM 1036 N GLY A 68 74.137 -0.549 -4.599 1.00 0.00 N ATOM 1037 CA GLY A 68 74.727 -1.586 -5.500 1.00 0.00 C ATOM 1038 C GLY A 68 73.695 -2.685 -5.777 1.00 0.00 C ATOM 1039 O GLY A 68 73.573 -3.161 -6.888 1.00 0.00 O ATOM 0 H GLY A 68 73.456 0.070 -5.039 1.00 0.00 H new ATOM 0 HA2 GLY A 68 75.044 -1.128 -6.437 1.00 0.00 H new ATOM 0 HA3 GLY A 68 75.616 -2.017 -5.039 1.00 0.00 H new ATOM 1043 N SER A 69 72.957 -3.093 -4.772 1.00 0.00 N ATOM 1044 CA SER A 69 71.930 -4.170 -4.967 1.00 0.00 C ATOM 1045 C SER A 69 70.868 -3.733 -5.994 1.00 0.00 C ATOM 1046 O SER A 69 70.585 -4.448 -6.935 1.00 0.00 O ATOM 1047 CB SER A 69 71.320 -4.391 -3.573 1.00 0.00 C ATOM 1048 OG SER A 69 69.901 -4.467 -3.662 1.00 0.00 O ATOM 0 H SER A 69 73.021 -2.727 -3.822 1.00 0.00 H new ATOM 0 HA SER A 69 72.361 -5.089 -5.364 1.00 0.00 H new ATOM 0 HB2 SER A 69 71.714 -5.309 -3.138 1.00 0.00 H new ATOM 0 HB3 SER A 69 71.607 -3.575 -2.909 1.00 0.00 H new ATOM 0 HG SER A 69 69.559 -5.050 -2.952 1.00 0.00 H new ATOM 1054 N GLY A 70 70.283 -2.570 -5.827 1.00 0.00 N ATOM 1055 CA GLY A 70 69.252 -2.099 -6.806 1.00 0.00 C ATOM 1056 C GLY A 70 67.834 -2.334 -6.266 1.00 0.00 C ATOM 1057 O GLY A 70 66.912 -1.624 -6.618 1.00 0.00 O ATOM 0 H GLY A 70 70.474 -1.929 -5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 70 69.396 -1.038 -7.010 1.00 0.00 H new ATOM 0 HA3 GLY A 70 69.377 -2.625 -7.752 1.00 0.00 H new ATOM 1061 N THR A 71 67.642 -3.325 -5.425 1.00 0.00 N ATOM 1062 CA THR A 71 66.270 -3.594 -4.883 1.00 0.00 C ATOM 1063 C THR A 71 66.142 -3.127 -3.429 1.00 0.00 C ATOM 1064 O THR A 71 67.121 -2.958 -2.724 1.00 0.00 O ATOM 1065 CB THR A 71 66.077 -5.111 -4.985 1.00 0.00 C ATOM 1066 OG1 THR A 71 64.751 -5.443 -4.598 1.00 0.00 O ATOM 1067 CG2 THR A 71 67.067 -5.843 -4.073 1.00 0.00 C ATOM 0 H THR A 71 68.371 -3.956 -5.092 1.00 0.00 H new ATOM 0 HA THR A 71 65.510 -3.049 -5.444 1.00 0.00 H new ATOM 0 HB THR A 71 66.255 -5.418 -6.016 1.00 0.00 H new ATOM 0 HG1 THR A 71 64.624 -6.413 -4.664 1.00 0.00 H new ATOM 0 HG21 THR A 71 66.914 -6.919 -4.159 1.00 0.00 H new ATOM 0 HG22 THR A 71 68.086 -5.596 -4.370 1.00 0.00 H new ATOM 0 HG23 THR A 71 66.906 -5.535 -3.040 1.00 0.00 H new ATOM 1075 N VAL A 72 64.928 -2.929 -2.981 1.00 0.00 N ATOM 1076 CA VAL A 72 64.697 -2.474 -1.574 1.00 0.00 C ATOM 1077 C VAL A 72 64.443 -3.683 -0.659 1.00 0.00 C ATOM 1078 O VAL A 72 63.488 -4.414 -0.835 1.00 0.00 O ATOM 1079 CB VAL A 72 63.459 -1.562 -1.649 1.00 0.00 C ATOM 1080 CG1 VAL A 72 62.712 -1.561 -0.310 1.00 0.00 C ATOM 1081 CG2 VAL A 72 63.900 -0.133 -1.973 1.00 0.00 C ATOM 0 H VAL A 72 64.081 -3.064 -3.533 1.00 0.00 H new ATOM 0 HA VAL A 72 65.557 -1.949 -1.159 1.00 0.00 H new ATOM 0 HB VAL A 72 62.795 -1.937 -2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 72 61.840 -0.911 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 72 62.391 -2.575 -0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 72 63.374 -1.196 0.475 1.00 0.00 H new ATOM 0 HG21 VAL A 72 63.025 0.515 -2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 72 64.570 0.227 -1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 72 64.419 -0.121 -2.931 1.00 0.00 H new ATOM 1091 N ASP A 73 65.284 -3.892 0.321 1.00 0.00 N ATOM 1092 CA ASP A 73 65.082 -5.046 1.250 1.00 0.00 C ATOM 1093 C ASP A 73 64.246 -4.603 2.468 1.00 0.00 C ATOM 1094 O ASP A 73 63.652 -3.540 2.467 1.00 0.00 O ATOM 1095 CB ASP A 73 66.506 -5.477 1.650 1.00 0.00 C ATOM 1096 CG ASP A 73 66.961 -4.746 2.919 1.00 0.00 C ATOM 1097 OD1 ASP A 73 67.109 -3.538 2.868 1.00 0.00 O ATOM 1098 OD2 ASP A 73 67.145 -5.411 3.924 1.00 0.00 O ATOM 0 H ASP A 73 66.101 -3.315 0.519 1.00 0.00 H new ATOM 0 HA ASP A 73 64.534 -5.872 0.796 1.00 0.00 H new ATOM 0 HB2 ASP A 73 66.531 -6.554 1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 73 67.198 -5.264 0.835 1.00 0.00 H new ATOM 1103 N PHE A 74 64.197 -5.407 3.503 1.00 0.00 N ATOM 1104 CA PHE A 74 63.405 -5.033 4.720 1.00 0.00 C ATOM 1105 C PHE A 74 63.957 -3.741 5.348 1.00 0.00 C ATOM 1106 O PHE A 74 63.209 -2.850 5.702 1.00 0.00 O ATOM 1107 CB PHE A 74 63.573 -6.217 5.679 1.00 0.00 C ATOM 1108 CG PHE A 74 62.726 -6.006 6.915 1.00 0.00 C ATOM 1109 CD1 PHE A 74 61.333 -6.136 6.845 1.00 0.00 C ATOM 1110 CD2 PHE A 74 63.337 -5.684 8.134 1.00 0.00 C ATOM 1111 CE1 PHE A 74 60.553 -5.944 7.993 1.00 0.00 C ATOM 1112 CE2 PHE A 74 62.557 -5.493 9.281 1.00 0.00 C ATOM 1113 CZ PHE A 74 61.164 -5.623 9.210 1.00 0.00 C ATOM 0 H PHE A 74 64.672 -6.308 3.559 1.00 0.00 H new ATOM 0 HA PHE A 74 62.358 -4.841 4.487 1.00 0.00 H new ATOM 0 HB2 PHE A 74 63.282 -7.142 5.182 1.00 0.00 H new ATOM 0 HB3 PHE A 74 64.621 -6.322 5.960 1.00 0.00 H new ATOM 0 HD1 PHE A 74 60.860 -6.384 5.906 1.00 0.00 H new ATOM 0 HD2 PHE A 74 64.411 -5.583 8.189 1.00 0.00 H new ATOM 0 HE1 PHE A 74 59.479 -6.044 7.938 1.00 0.00 H new ATOM 0 HE2 PHE A 74 63.029 -5.246 10.220 1.00 0.00 H new ATOM 0 HZ PHE A 74 60.562 -5.475 10.094 1.00 0.00 H new ATOM 1123 N ASP A 75 65.257 -3.636 5.482 1.00 0.00 N ATOM 1124 CA ASP A 75 65.862 -2.403 6.082 1.00 0.00 C ATOM 1125 C ASP A 75 65.558 -1.174 5.210 1.00 0.00 C ATOM 1126 O ASP A 75 65.156 -0.138 5.708 1.00 0.00 O ATOM 1127 CB ASP A 75 67.369 -2.679 6.125 1.00 0.00 C ATOM 1128 CG ASP A 75 67.787 -3.027 7.555 1.00 0.00 C ATOM 1129 OD1 ASP A 75 67.434 -4.103 8.009 1.00 0.00 O ATOM 1130 OD2 ASP A 75 68.452 -2.211 8.170 1.00 0.00 O ATOM 0 H ASP A 75 65.927 -4.352 5.201 1.00 0.00 H new ATOM 0 HA ASP A 75 65.460 -2.189 7.072 1.00 0.00 H new ATOM 0 HB2 ASP A 75 67.618 -3.500 5.453 1.00 0.00 H new ATOM 0 HB3 ASP A 75 67.919 -1.805 5.777 1.00 0.00 H new ATOM 1135 N GLU A 76 65.736 -1.287 3.914 1.00 0.00 N ATOM 1136 CA GLU A 76 65.444 -0.130 3.004 1.00 0.00 C ATOM 1137 C GLU A 76 63.952 0.207 3.056 1.00 0.00 C ATOM 1138 O GLU A 76 63.565 1.359 3.013 1.00 0.00 O ATOM 1139 CB GLU A 76 65.834 -0.601 1.602 1.00 0.00 C ATOM 1140 CG GLU A 76 67.354 -0.532 1.443 1.00 0.00 C ATOM 1141 CD GLU A 76 67.771 -1.288 0.181 1.00 0.00 C ATOM 1142 OE1 GLU A 76 67.993 -2.483 0.272 1.00 0.00 O ATOM 1143 OE2 GLU A 76 67.866 -0.659 -0.857 1.00 0.00 O ATOM 0 H GLU A 76 66.071 -2.130 3.447 1.00 0.00 H new ATOM 0 HA GLU A 76 65.993 0.767 3.292 1.00 0.00 H new ATOM 0 HB2 GLU A 76 65.487 -1.622 1.440 1.00 0.00 H new ATOM 0 HB3 GLU A 76 65.351 0.023 0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 76 67.677 0.507 1.380 1.00 0.00 H new ATOM 0 HG3 GLU A 76 67.841 -0.965 2.317 1.00 0.00 H new ATOM 1150 N PHE A 77 63.116 -0.799 3.160 1.00 0.00 N ATOM 1151 CA PHE A 77 61.642 -0.564 3.234 1.00 0.00 C ATOM 1152 C PHE A 77 61.324 0.386 4.398 1.00 0.00 C ATOM 1153 O PHE A 77 60.534 1.298 4.266 1.00 0.00 O ATOM 1154 CB PHE A 77 61.040 -1.953 3.486 1.00 0.00 C ATOM 1155 CG PHE A 77 59.572 -1.962 3.127 1.00 0.00 C ATOM 1156 CD1 PHE A 77 59.140 -1.430 1.905 1.00 0.00 C ATOM 1157 CD2 PHE A 77 58.644 -2.518 4.015 1.00 0.00 C ATOM 1158 CE1 PHE A 77 57.781 -1.450 1.575 1.00 0.00 C ATOM 1159 CE2 PHE A 77 57.285 -2.541 3.683 1.00 0.00 C ATOM 1160 CZ PHE A 77 56.853 -2.007 2.463 1.00 0.00 C ATOM 0 H PHE A 77 63.396 -1.779 3.197 1.00 0.00 H new ATOM 0 HA PHE A 77 61.241 -0.105 2.330 1.00 0.00 H new ATOM 0 HB2 PHE A 77 61.570 -2.699 2.895 1.00 0.00 H new ATOM 0 HB3 PHE A 77 61.167 -2.227 4.533 1.00 0.00 H new ATOM 0 HD1 PHE A 77 59.856 -1.004 1.218 1.00 0.00 H new ATOM 0 HD2 PHE A 77 58.977 -2.929 4.956 1.00 0.00 H new ATOM 0 HE1 PHE A 77 57.447 -1.036 0.635 1.00 0.00 H new ATOM 0 HE2 PHE A 77 56.569 -2.971 4.368 1.00 0.00 H new ATOM 0 HZ PHE A 77 55.804 -2.025 2.207 1.00 0.00 H new ATOM 1170 N LEU A 78 61.947 0.179 5.533 1.00 0.00 N ATOM 1171 CA LEU A 78 61.696 1.070 6.709 1.00 0.00 C ATOM 1172 C LEU A 78 62.297 2.461 6.467 1.00 0.00 C ATOM 1173 O LEU A 78 61.656 3.465 6.712 1.00 0.00 O ATOM 1174 CB LEU A 78 62.380 0.376 7.887 1.00 0.00 C ATOM 1175 CG LEU A 78 61.647 -0.931 8.196 1.00 0.00 C ATOM 1176 CD1 LEU A 78 62.565 -1.853 8.995 1.00 0.00 C ATOM 1177 CD2 LEU A 78 60.386 -0.630 9.013 1.00 0.00 C ATOM 0 H LEU A 78 62.620 -0.570 5.696 1.00 0.00 H new ATOM 0 HA LEU A 78 60.632 1.221 6.892 1.00 0.00 H new ATOM 0 HB2 LEU A 78 63.424 0.174 7.649 1.00 0.00 H new ATOM 0 HB3 LEU A 78 62.373 1.026 8.762 1.00 0.00 H new ATOM 0 HG LEU A 78 61.366 -1.419 7.263 1.00 0.00 H new ATOM 0 HD11 LEU A 78 62.043 -2.784 9.215 1.00 0.00 H new ATOM 0 HD12 LEU A 78 63.461 -2.068 8.413 1.00 0.00 H new ATOM 0 HD13 LEU A 78 62.847 -1.366 9.928 1.00 0.00 H new ATOM 0 HD21 LEU A 78 59.864 -1.561 9.233 1.00 0.00 H new ATOM 0 HD22 LEU A 78 60.665 -0.141 9.946 1.00 0.00 H new ATOM 0 HD23 LEU A 78 59.730 0.027 8.442 1.00 0.00 H new ATOM 1189 N VAL A 79 63.513 2.530 5.971 1.00 0.00 N ATOM 1190 CA VAL A 79 64.140 3.866 5.693 1.00 0.00 C ATOM 1191 C VAL A 79 63.258 4.642 4.700 1.00 0.00 C ATOM 1192 O VAL A 79 63.130 5.850 4.778 1.00 0.00 O ATOM 1193 CB VAL A 79 65.518 3.547 5.091 1.00 0.00 C ATOM 1194 CG1 VAL A 79 66.092 4.785 4.391 1.00 0.00 C ATOM 1195 CG2 VAL A 79 66.473 3.119 6.210 1.00 0.00 C ATOM 0 H VAL A 79 64.096 1.723 5.748 1.00 0.00 H new ATOM 0 HA VAL A 79 64.239 4.486 6.584 1.00 0.00 H new ATOM 0 HB VAL A 79 65.407 2.743 4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 79 67.068 4.545 3.969 1.00 0.00 H new ATOM 0 HG12 VAL A 79 65.418 5.097 3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 79 66.198 5.595 5.113 1.00 0.00 H new ATOM 0 HG21 VAL A 79 67.451 2.892 5.786 1.00 0.00 H new ATOM 0 HG22 VAL A 79 66.570 3.927 6.935 1.00 0.00 H new ATOM 0 HG23 VAL A 79 66.078 2.233 6.706 1.00 0.00 H new ATOM 1205 N MET A 80 62.629 3.944 3.787 1.00 0.00 N ATOM 1206 CA MET A 80 61.726 4.614 2.805 1.00 0.00 C ATOM 1207 C MET A 80 60.427 5.029 3.513 1.00 0.00 C ATOM 1208 O MET A 80 59.917 6.116 3.311 1.00 0.00 O ATOM 1209 CB MET A 80 61.451 3.544 1.742 1.00 0.00 C ATOM 1210 CG MET A 80 60.790 4.180 0.517 1.00 0.00 C ATOM 1211 SD MET A 80 59.152 3.453 0.273 1.00 0.00 S ATOM 1212 CE MET A 80 58.210 4.719 1.158 1.00 0.00 C ATOM 0 H MET A 80 62.704 2.932 3.680 1.00 0.00 H new ATOM 0 HA MET A 80 62.157 5.515 2.368 1.00 0.00 H new ATOM 0 HB2 MET A 80 62.384 3.060 1.452 1.00 0.00 H new ATOM 0 HB3 MET A 80 60.804 2.769 2.153 1.00 0.00 H new ATOM 0 HG2 MET A 80 60.705 5.258 0.655 1.00 0.00 H new ATOM 0 HG3 MET A 80 61.407 4.019 -0.367 1.00 0.00 H new ATOM 0 HE1 MET A 80 57.202 4.776 0.747 1.00 0.00 H new ATOM 0 HE2 MET A 80 58.157 4.460 2.215 1.00 0.00 H new ATOM 0 HE3 MET A 80 58.703 5.685 1.045 1.00 0.00 H new ATOM 1222 N MET A 81 59.902 4.164 4.350 1.00 0.00 N ATOM 1223 CA MET A 81 58.641 4.475 5.099 1.00 0.00 C ATOM 1224 C MET A 81 58.789 5.788 5.883 1.00 0.00 C ATOM 1225 O MET A 81 57.962 6.673 5.781 1.00 0.00 O ATOM 1226 CB MET A 81 58.460 3.297 6.064 1.00 0.00 C ATOM 1227 CG MET A 81 57.602 2.202 5.418 1.00 0.00 C ATOM 1228 SD MET A 81 57.838 2.191 3.622 1.00 0.00 S ATOM 1229 CE MET A 81 56.403 1.171 3.220 1.00 0.00 C ATOM 0 H MET A 81 60.298 3.245 4.548 1.00 0.00 H new ATOM 0 HA MET A 81 57.788 4.601 4.433 1.00 0.00 H new ATOM 0 HB2 MET A 81 59.434 2.890 6.338 1.00 0.00 H new ATOM 0 HB3 MET A 81 57.988 3.642 6.984 1.00 0.00 H new ATOM 0 HG2 MET A 81 57.870 1.230 5.832 1.00 0.00 H new ATOM 0 HG3 MET A 81 56.551 2.370 5.652 1.00 0.00 H new ATOM 0 HE1 MET A 81 56.481 0.823 2.190 1.00 0.00 H new ATOM 0 HE2 MET A 81 56.367 0.313 3.891 1.00 0.00 H new ATOM 0 HE3 MET A 81 55.494 1.761 3.336 1.00 0.00 H new ATOM 1239 N VAL A 82 59.840 5.918 6.661 1.00 0.00 N ATOM 1240 CA VAL A 82 60.046 7.177 7.454 1.00 0.00 C ATOM 1241 C VAL A 82 60.301 8.371 6.520 1.00 0.00 C ATOM 1242 O VAL A 82 59.970 9.496 6.842 1.00 0.00 O ATOM 1243 CB VAL A 82 61.262 6.923 8.364 1.00 0.00 C ATOM 1244 CG1 VAL A 82 60.969 5.745 9.297 1.00 0.00 C ATOM 1245 CG2 VAL A 82 62.505 6.607 7.523 1.00 0.00 C ATOM 0 H VAL A 82 60.563 5.209 6.782 1.00 0.00 H new ATOM 0 HA VAL A 82 59.162 7.422 8.042 1.00 0.00 H new ATOM 0 HB VAL A 82 61.451 7.821 8.951 1.00 0.00 H new ATOM 0 HG11 VAL A 82 61.831 5.567 9.940 1.00 0.00 H new ATOM 0 HG12 VAL A 82 60.099 5.975 9.912 1.00 0.00 H new ATOM 0 HG13 VAL A 82 60.768 4.853 8.704 1.00 0.00 H new ATOM 0 HG21 VAL A 82 63.355 6.430 8.182 1.00 0.00 H new ATOM 0 HG22 VAL A 82 62.321 5.717 6.922 1.00 0.00 H new ATOM 0 HG23 VAL A 82 62.724 7.449 6.867 1.00 0.00 H new ATOM 1255 N ARG A 83 60.872 8.134 5.361 1.00 0.00 N ATOM 1256 CA ARG A 83 61.127 9.258 4.408 1.00 0.00 C ATOM 1257 C ARG A 83 59.789 9.843 3.941 1.00 0.00 C ATOM 1258 O ARG A 83 59.615 11.046 3.875 1.00 0.00 O ATOM 1259 CB ARG A 83 61.883 8.631 3.230 1.00 0.00 C ATOM 1260 CG ARG A 83 63.370 8.985 3.326 1.00 0.00 C ATOM 1261 CD ARG A 83 64.006 8.904 1.936 1.00 0.00 C ATOM 1262 NE ARG A 83 65.459 8.678 2.191 1.00 0.00 N ATOM 1263 CZ ARG A 83 66.351 9.398 1.571 1.00 0.00 C ATOM 1264 NH1 ARG A 83 66.735 10.534 2.079 1.00 0.00 N ATOM 1265 NH2 ARG A 83 66.862 8.978 0.450 1.00 0.00 N ATOM 0 H ARG A 83 61.171 7.214 5.037 1.00 0.00 H new ATOM 0 HA ARG A 83 61.699 10.068 4.861 1.00 0.00 H new ATOM 0 HB2 ARG A 83 61.755 7.549 3.238 1.00 0.00 H new ATOM 0 HB3 ARG A 83 61.473 8.993 2.287 1.00 0.00 H new ATOM 0 HG2 ARG A 83 63.490 9.988 3.734 1.00 0.00 H new ATOM 0 HG3 ARG A 83 63.874 8.301 4.008 1.00 0.00 H new ATOM 0 HD2 ARG A 83 63.576 8.090 1.352 1.00 0.00 H new ATOM 0 HD3 ARG A 83 63.842 9.822 1.372 1.00 0.00 H new ATOM 0 HE ARG A 83 65.754 7.959 2.851 1.00 0.00 H new ATOM 0 HH11 ARG A 83 66.338 10.859 2.961 1.00 0.00 H new ATOM 0 HH12 ARG A 83 67.433 11.099 1.595 1.00 0.00 H new ATOM 0 HH21 ARG A 83 66.564 8.085 0.057 1.00 0.00 H new ATOM 0 HH22 ARG A 83 67.560 9.542 -0.035 1.00 0.00 H new ATOM 1279 N CYS A 84 58.837 8.994 3.635 1.00 0.00 N ATOM 1280 CA CYS A 84 57.497 9.483 3.189 1.00 0.00 C ATOM 1281 C CYS A 84 56.734 10.087 4.375 1.00 0.00 C ATOM 1282 O CYS A 84 56.114 11.127 4.257 1.00 0.00 O ATOM 1283 CB CYS A 84 56.773 8.240 2.657 1.00 0.00 C ATOM 1284 SG CYS A 84 56.338 8.499 0.919 1.00 0.00 S ATOM 0 H CYS A 84 58.933 7.979 3.676 1.00 0.00 H new ATOM 0 HA CYS A 84 57.573 10.262 2.430 1.00 0.00 H new ATOM 0 HB2 CYS A 84 57.412 7.362 2.757 1.00 0.00 H new ATOM 0 HB3 CYS A 84 55.875 8.049 3.244 1.00 0.00 H new ATOM 0 HG CYS A 84 55.726 7.446 0.463 1.00 0.00 H new ATOM 1290 N MET A 85 56.783 9.444 5.519 1.00 0.00 N ATOM 1291 CA MET A 85 56.065 9.976 6.723 1.00 0.00 C ATOM 1292 C MET A 85 56.795 11.199 7.313 1.00 0.00 C ATOM 1293 O MET A 85 56.293 11.839 8.219 1.00 0.00 O ATOM 1294 CB MET A 85 56.063 8.822 7.733 1.00 0.00 C ATOM 1295 CG MET A 85 55.097 7.726 7.272 1.00 0.00 C ATOM 1296 SD MET A 85 54.846 6.538 8.618 1.00 0.00 S ATOM 1297 CE MET A 85 56.556 5.955 8.737 1.00 0.00 C ATOM 0 H MET A 85 57.290 8.572 5.671 1.00 0.00 H new ATOM 0 HA MET A 85 55.058 10.308 6.471 1.00 0.00 H new ATOM 0 HB2 MET A 85 57.069 8.414 7.833 1.00 0.00 H new ATOM 0 HB3 MET A 85 55.768 9.189 8.716 1.00 0.00 H new ATOM 0 HG2 MET A 85 54.144 8.166 6.978 1.00 0.00 H new ATOM 0 HG3 MET A 85 55.498 7.219 6.394 1.00 0.00 H new ATOM 0 HE1 MET A 85 56.599 5.084 9.390 1.00 0.00 H new ATOM 0 HE2 MET A 85 56.918 5.683 7.745 1.00 0.00 H new ATOM 0 HE3 MET A 85 57.183 6.747 9.147 1.00 0.00 H new ATOM 1475 N SER B 149 52.461 6.550 1.231 1.00 0.00 N ATOM 1476 CA SER B 149 53.074 6.473 2.594 1.00 0.00 C ATOM 1477 C SER B 149 53.047 5.039 3.135 1.00 0.00 C ATOM 1478 O SER B 149 52.433 4.153 2.566 1.00 0.00 O ATOM 1479 CB SER B 149 52.214 7.381 3.471 1.00 0.00 C ATOM 1480 OG SER B 149 52.927 7.690 4.663 1.00 0.00 O ATOM 0 HA SER B 149 54.120 6.779 2.577 1.00 0.00 H new ATOM 0 HB2 SER B 149 51.965 8.296 2.934 1.00 0.00 H new ATOM 0 HB3 SER B 149 51.273 6.888 3.713 1.00 0.00 H new ATOM 0 HG SER B 149 52.418 7.376 5.439 1.00 0.00 H new ATOM 1486 N ALA B 150 53.710 4.816 4.244 1.00 0.00 N ATOM 1487 CA ALA B 150 53.743 3.452 4.860 1.00 0.00 C ATOM 1488 C ALA B 150 52.328 3.003 5.248 1.00 0.00 C ATOM 1489 O ALA B 150 51.890 1.928 4.886 1.00 0.00 O ATOM 1490 CB ALA B 150 54.617 3.611 6.106 1.00 0.00 C ATOM 0 H ALA B 150 54.234 5.527 4.753 1.00 0.00 H new ATOM 0 HA ALA B 150 54.132 2.698 4.176 1.00 0.00 H new ATOM 0 HB1 ALA B 150 54.695 2.653 6.621 1.00 0.00 H new ATOM 0 HB2 ALA B 150 55.611 3.947 5.812 1.00 0.00 H new ATOM 0 HB3 ALA B 150 54.168 4.346 6.774 1.00 0.00 H new ATOM 1496 N ASP B 151 51.614 3.826 5.977 1.00 0.00 N ATOM 1497 CA ASP B 151 50.219 3.468 6.394 1.00 0.00 C ATOM 1498 C ASP B 151 49.315 3.279 5.164 1.00 0.00 C ATOM 1499 O ASP B 151 48.398 2.481 5.181 1.00 0.00 O ATOM 1500 CB ASP B 151 49.736 4.651 7.251 1.00 0.00 C ATOM 1501 CG ASP B 151 49.799 5.953 6.443 1.00 0.00 C ATOM 1502 OD1 ASP B 151 50.881 6.505 6.328 1.00 0.00 O ATOM 1503 OD2 ASP B 151 48.765 6.373 5.953 1.00 0.00 O ATOM 0 H ASP B 151 51.938 4.736 6.304 1.00 0.00 H new ATOM 0 HA ASP B 151 50.188 2.529 6.947 1.00 0.00 H new ATOM 0 HB2 ASP B 151 48.715 4.472 7.587 1.00 0.00 H new ATOM 0 HB3 ASP B 151 50.355 4.739 8.144 1.00 0.00 H new ATOM 1508 N ALA B 152 49.566 4.003 4.100 1.00 0.00 N ATOM 1509 CA ALA B 152 48.720 3.862 2.873 1.00 0.00 C ATOM 1510 C ALA B 152 48.975 2.507 2.195 1.00 0.00 C ATOM 1511 O ALA B 152 48.051 1.810 1.825 1.00 0.00 O ATOM 1512 CB ALA B 152 49.147 5.015 1.960 1.00 0.00 C ATOM 0 H ALA B 152 50.320 4.686 4.028 1.00 0.00 H new ATOM 0 HA ALA B 152 47.655 3.899 3.103 1.00 0.00 H new ATOM 0 HB1 ALA B 152 48.570 4.980 1.036 1.00 0.00 H new ATOM 0 HB2 ALA B 152 48.967 5.964 2.465 1.00 0.00 H new ATOM 0 HB3 ALA B 152 50.208 4.922 1.729 1.00 0.00 H new ATOM 1518 N MET B 153 50.220 2.131 2.030 1.00 0.00 N ATOM 1519 CA MET B 153 50.530 0.820 1.375 1.00 0.00 C ATOM 1520 C MET B 153 50.260 -0.348 2.335 1.00 0.00 C ATOM 1521 O MET B 153 49.794 -1.395 1.927 1.00 0.00 O ATOM 1522 CB MET B 153 52.019 0.891 1.020 1.00 0.00 C ATOM 1523 CG MET B 153 52.315 -0.077 -0.129 1.00 0.00 C ATOM 1524 SD MET B 153 51.662 0.603 -1.676 1.00 0.00 S ATOM 1525 CE MET B 153 53.213 0.592 -2.607 1.00 0.00 C ATOM 0 H MET B 153 51.034 2.673 2.320 1.00 0.00 H new ATOM 0 HA MET B 153 49.907 0.650 0.497 1.00 0.00 H new ATOM 0 HB2 MET B 153 52.287 1.907 0.732 1.00 0.00 H new ATOM 0 HB3 MET B 153 52.624 0.636 1.890 1.00 0.00 H new ATOM 0 HG2 MET B 153 53.390 -0.238 -0.215 1.00 0.00 H new ATOM 0 HG3 MET B 153 51.862 -1.048 0.074 1.00 0.00 H new ATOM 0 HE1 MET B 153 53.228 1.434 -3.298 1.00 0.00 H new ATOM 0 HE2 MET B 153 54.052 0.674 -1.917 1.00 0.00 H new ATOM 0 HE3 MET B 153 53.294 -0.339 -3.168 1.00 0.00 H new ATOM 1535 N MET B 154 50.554 -0.181 3.602 1.00 0.00 N ATOM 1536 CA MET B 154 50.319 -1.289 4.582 1.00 0.00 C ATOM 1537 C MET B 154 48.816 -1.503 4.818 1.00 0.00 C ATOM 1538 O MET B 154 48.324 -2.614 4.738 1.00 0.00 O ATOM 1539 CB MET B 154 51.007 -0.837 5.874 1.00 0.00 C ATOM 1540 CG MET B 154 51.145 -2.030 6.824 1.00 0.00 C ATOM 1541 SD MET B 154 52.811 -2.058 7.529 1.00 0.00 S ATOM 1542 CE MET B 154 52.610 -0.652 8.650 1.00 0.00 C ATOM 0 H MET B 154 50.946 0.673 4.000 1.00 0.00 H new ATOM 0 HA MET B 154 50.713 -2.238 4.219 1.00 0.00 H new ATOM 0 HB2 MET B 154 51.990 -0.422 5.649 1.00 0.00 H new ATOM 0 HB3 MET B 154 50.428 -0.045 6.349 1.00 0.00 H new ATOM 0 HG2 MET B 154 50.404 -1.961 7.620 1.00 0.00 H new ATOM 0 HG3 MET B 154 50.951 -2.959 6.288 1.00 0.00 H new ATOM 0 HE1 MET B 154 53.421 -0.648 9.378 1.00 0.00 H new ATOM 0 HE2 MET B 154 52.631 0.275 8.078 1.00 0.00 H new ATOM 0 HE3 MET B 154 51.656 -0.735 9.171 1.00 0.00 H new ATOM 1552 N GLN B 155 48.085 -0.454 5.112 1.00 0.00 N ATOM 1553 CA GLN B 155 46.613 -0.605 5.358 1.00 0.00 C ATOM 1554 C GLN B 155 45.893 -1.078 4.086 1.00 0.00 C ATOM 1555 O GLN B 155 44.953 -1.847 4.153 1.00 0.00 O ATOM 1556 CB GLN B 155 46.127 0.787 5.769 1.00 0.00 C ATOM 1557 CG GLN B 155 44.770 0.671 6.473 1.00 0.00 C ATOM 1558 CD GLN B 155 43.664 1.185 5.550 1.00 0.00 C ATOM 1559 OE1 GLN B 155 42.970 0.410 4.925 1.00 0.00 O ATOM 1560 NE2 GLN B 155 43.468 2.469 5.434 1.00 0.00 N ATOM 0 H GLN B 155 48.442 0.498 5.192 1.00 0.00 H new ATOM 0 HA GLN B 155 46.406 -1.350 6.126 1.00 0.00 H new ATOM 0 HB2 GLN B 155 46.854 1.256 6.433 1.00 0.00 H new ATOM 0 HB3 GLN B 155 46.039 1.426 4.891 1.00 0.00 H new ATOM 0 HG2 GLN B 155 44.578 -0.367 6.744 1.00 0.00 H new ATOM 0 HG3 GLN B 155 44.780 1.245 7.399 1.00 0.00 H new ATOM 0 HE21 GLN B 155 44.050 3.123 5.958 1.00 0.00 H new ATOM 0 HE22 GLN B 155 42.733 2.819 4.819 1.00 0.00 H new ATOM 1569 N ALA B 156 46.328 -0.631 2.930 1.00 0.00 N ATOM 1570 CA ALA B 156 45.666 -1.069 1.660 1.00 0.00 C ATOM 1571 C ALA B 156 45.745 -2.595 1.523 1.00 0.00 C ATOM 1572 O ALA B 156 44.766 -3.250 1.223 1.00 0.00 O ATOM 1573 CB ALA B 156 46.451 -0.391 0.534 1.00 0.00 C ATOM 0 H ALA B 156 47.109 0.015 2.812 1.00 0.00 H new ATOM 0 HA ALA B 156 44.611 -0.797 1.636 1.00 0.00 H new ATOM 0 HB1 ALA B 156 46.020 -0.668 -0.428 1.00 0.00 H new ATOM 0 HB2 ALA B 156 46.401 0.691 0.656 1.00 0.00 H new ATOM 0 HB3 ALA B 156 47.492 -0.713 0.571 1.00 0.00 H new ATOM 1579 N LEU B 157 46.906 -3.160 1.750 1.00 0.00 N ATOM 1580 CA LEU B 157 47.065 -4.644 1.645 1.00 0.00 C ATOM 1581 C LEU B 157 46.156 -5.353 2.660 1.00 0.00 C ATOM 1582 O LEU B 157 45.369 -6.208 2.303 1.00 0.00 O ATOM 1583 CB LEU B 157 48.540 -4.900 1.964 1.00 0.00 C ATOM 1584 CG LEU B 157 48.876 -6.373 1.728 1.00 0.00 C ATOM 1585 CD1 LEU B 157 49.069 -6.620 0.232 1.00 0.00 C ATOM 1586 CD2 LEU B 157 50.166 -6.721 2.471 1.00 0.00 C ATOM 0 H LEU B 157 47.754 -2.654 2.005 1.00 0.00 H new ATOM 0 HA LEU B 157 46.787 -5.024 0.662 1.00 0.00 H new ATOM 0 HB2 LEU B 157 49.171 -4.269 1.338 1.00 0.00 H new ATOM 0 HB3 LEU B 157 48.749 -4.632 3.000 1.00 0.00 H new ATOM 0 HG LEU B 157 48.061 -6.997 2.096 1.00 0.00 H new ATOM 0 HD11 LEU B 157 49.308 -7.670 0.065 1.00 0.00 H new ATOM 0 HD12 LEU B 157 48.152 -6.368 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU B 157 49.885 -5.998 -0.137 1.00 0.00 H new ATOM 0 HD21 LEU B 157 50.409 -7.771 2.306 1.00 0.00 H new ATOM 0 HD22 LEU B 157 50.979 -6.097 2.100 1.00 0.00 H new ATOM 0 HD23 LEU B 157 50.030 -6.544 3.538 1.00 0.00 H new ATOM 1598 N LEU B 158 46.255 -4.997 3.917 1.00 0.00 N ATOM 1599 CA LEU B 158 45.393 -5.642 4.954 1.00 0.00 C ATOM 1600 C LEU B 158 44.273 -4.681 5.369 1.00 0.00 C ATOM 1601 O LEU B 158 44.449 -3.841 6.233 1.00 0.00 O ATOM 1602 CB LEU B 158 46.326 -5.932 6.134 1.00 0.00 C ATOM 1603 CG LEU B 158 47.343 -7.006 5.738 1.00 0.00 C ATOM 1604 CD1 LEU B 158 48.748 -6.544 6.124 1.00 0.00 C ATOM 1605 CD2 LEU B 158 47.018 -8.310 6.469 1.00 0.00 C ATOM 0 H LEU B 158 46.896 -4.287 4.270 1.00 0.00 H new ATOM 0 HA LEU B 158 44.916 -6.552 4.590 1.00 0.00 H new ATOM 0 HB2 LEU B 158 46.844 -5.020 6.433 1.00 0.00 H new ATOM 0 HB3 LEU B 158 45.746 -6.266 6.994 1.00 0.00 H new ATOM 0 HG LEU B 158 47.297 -7.171 4.662 1.00 0.00 H new ATOM 0 HD11 LEU B 158 49.472 -7.308 5.842 1.00 0.00 H new ATOM 0 HD12 LEU B 158 48.981 -5.614 5.605 1.00 0.00 H new ATOM 0 HD13 LEU B 158 48.794 -6.380 7.201 1.00 0.00 H new ATOM 0 HD21 LEU B 158 47.742 -9.075 6.188 1.00 0.00 H new ATOM 0 HD22 LEU B 158 47.065 -8.145 7.545 1.00 0.00 H new ATOM 0 HD23 LEU B 158 46.016 -8.640 6.196 1.00 0.00 H new