USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 532 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 12 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 17 ASN : amide:sc= -1.33! C(o=-0.85!,f=-2.6!) USER MOD Set 1.3: A 34 LYS NZ :NH3+ -166:sc= 0.482 (180deg=0) USER MOD Set 2.1: A 3 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 4 ASN : amide:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 8 LYS NZ :NH3+ 169:sc= 1.34 (180deg=1.03) USER MOD Single : A 10 LYS NZ :NH3+ 175:sc= 1.17 (180deg=1.12) USER MOD Single : A 13 ASN : amide:sc= -0.475 K(o=-0.47,f=-2.9!) USER MOD Single : A 14 SER OG : rot 180:sc= 0.00349 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0313) USER MOD Single : A 23 GLN : amide:sc= -0.21 K(o=-0.21,f=-2.5!) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.048 X(o=-0.048,f=-0.15) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -1.81! K(o=-1.8!,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.297 X(o=-0.3,f=-0.093) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0579 K(o=-0.058,f=-2.2!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 2.518 12.561 3.906 1.00 63.02 N ATOM 21 CA ALA A 2 1.146 12.129 3.747 1.00 64.44 C ATOM 22 C ALA A 2 0.960 10.887 4.576 1.00 23.33 C ATOM 23 O ALA A 2 1.526 9.844 4.271 1.00 75.31 O ATOM 24 CB ALA A 2 0.835 11.855 2.280 1.00 50.02 C ATOM 0 HA ALA A 2 0.461 12.909 4.080 1.00 64.44 H new ATOM 0 HB1 ALA A 2 -0.201 11.531 2.182 1.00 50.02 H new ATOM 0 HB2 ALA A 2 0.987 12.765 1.700 1.00 50.02 H new ATOM 0 HB3 ALA A 2 1.496 11.072 1.908 1.00 50.02 H new ATOM 30 N THR A 3 0.215 10.994 5.629 1.00 21.42 N ATOM 31 CA THR A 3 0.076 9.904 6.559 1.00 74.20 C ATOM 32 C THR A 3 -1.384 9.549 6.831 1.00 70.51 C ATOM 33 O THR A 3 -2.291 10.350 6.540 1.00 34.40 O ATOM 34 CB THR A 3 0.790 10.257 7.885 1.00 73.40 C ATOM 35 OG1 THR A 3 0.392 11.568 8.322 1.00 52.02 O ATOM 36 CG2 THR A 3 2.300 10.205 7.734 1.00 21.41 C ATOM 0 H THR A 3 -0.314 11.831 5.874 1.00 21.42 H new ATOM 0 HA THR A 3 0.539 9.028 6.106 1.00 74.20 H new ATOM 0 HB THR A 3 0.498 9.517 8.630 1.00 73.40 H new ATOM 0 HG1 THR A 3 0.846 11.784 9.163 1.00 52.02 H new ATOM 0 HG21 THR A 3 2.770 10.458 8.684 1.00 21.41 H new ATOM 0 HG22 THR A 3 2.602 9.201 7.437 1.00 21.41 H new ATOM 0 HG23 THR A 3 2.614 10.919 6.972 1.00 21.41 H new ATOM 44 N ASN A 4 -1.598 8.328 7.371 1.00 23.15 N ATOM 45 CA ASN A 4 -2.935 7.833 7.798 1.00 61.14 C ATOM 46 C ASN A 4 -3.899 7.784 6.617 1.00 12.40 C ATOM 47 O ASN A 4 -5.091 8.051 6.750 1.00 23.53 O ATOM 48 CB ASN A 4 -3.493 8.742 8.913 1.00 63.32 C ATOM 49 CG ASN A 4 -2.600 8.776 10.144 1.00 73.13 C ATOM 50 OD1 ASN A 4 -1.681 9.585 10.234 1.00 34.10 O ATOM 51 ND2 ASN A 4 -2.861 7.925 11.097 1.00 74.00 N ATOM 0 H ASN A 4 -0.849 7.653 7.525 1.00 23.15 H new ATOM 0 HA ASN A 4 -2.826 6.819 8.184 1.00 61.14 H new ATOM 0 HB2 ASN A 4 -3.610 9.754 8.526 1.00 63.32 H new ATOM 0 HB3 ASN A 4 -4.485 8.393 9.198 1.00 63.32 H new ATOM 0 HD21 ASN A 4 -2.295 7.920 11.945 1.00 74.00 H new ATOM 0 HD22 ASN A 4 -3.631 7.264 10.994 1.00 74.00 H new ATOM 58 N ILE A 5 -3.386 7.369 5.494 1.00 14.35 N ATOM 59 CA ILE A 5 -4.118 7.355 4.243 1.00 34.42 C ATOM 60 C ILE A 5 -5.095 6.202 4.177 1.00 22.42 C ATOM 61 O ILE A 5 -4.844 5.128 4.713 1.00 74.43 O ATOM 62 CB ILE A 5 -3.148 7.240 3.057 1.00 55.44 C ATOM 63 CG1 ILE A 5 -2.119 8.344 3.141 1.00 71.45 C ATOM 64 CG2 ILE A 5 -3.890 7.275 1.713 1.00 65.42 C ATOM 65 CD1 ILE A 5 -1.173 8.361 1.999 1.00 32.13 C ATOM 0 H ILE A 5 -2.430 7.023 5.412 1.00 14.35 H new ATOM 0 HA ILE A 5 -4.673 8.291 4.189 1.00 34.42 H new ATOM 0 HB ILE A 5 -2.643 6.276 3.113 1.00 55.44 H new ATOM 0 HG12 ILE A 5 -2.632 9.304 3.192 1.00 71.45 H new ATOM 0 HG13 ILE A 5 -1.555 8.234 4.067 1.00 71.45 H new ATOM 0 HG21 ILE A 5 -3.171 7.191 0.898 1.00 65.42 H new ATOM 0 HG22 ILE A 5 -4.593 6.443 1.664 1.00 65.42 H new ATOM 0 HG23 ILE A 5 -4.434 8.215 1.622 1.00 65.42 H new ATOM 0 HD11 ILE A 5 -0.464 9.179 2.126 1.00 32.13 H new ATOM 0 HD12 ILE A 5 -0.633 7.415 1.960 1.00 32.13 H new ATOM 0 HD13 ILE A 5 -1.726 8.502 1.070 1.00 32.13 H new ATOM 77 N VAL A 6 -6.187 6.443 3.508 1.00 23.23 N ATOM 78 CA VAL A 6 -7.208 5.464 3.280 1.00 24.34 C ATOM 79 C VAL A 6 -7.109 4.928 1.876 1.00 25.12 C ATOM 80 O VAL A 6 -6.879 5.687 0.920 1.00 35.23 O ATOM 81 CB VAL A 6 -8.614 6.089 3.436 1.00 32.44 C ATOM 82 CG1 VAL A 6 -9.712 5.119 2.990 1.00 35.32 C ATOM 83 CG2 VAL A 6 -8.845 6.549 4.860 1.00 43.43 C ATOM 0 H VAL A 6 -6.396 7.352 3.095 1.00 23.23 H new ATOM 0 HA VAL A 6 -7.066 4.668 4.011 1.00 24.34 H new ATOM 0 HB VAL A 6 -8.661 6.961 2.784 1.00 32.44 H new ATOM 0 HG11 VAL A 6 -10.687 5.591 3.113 1.00 35.32 H new ATOM 0 HG12 VAL A 6 -9.564 4.860 1.942 1.00 35.32 H new ATOM 0 HG13 VAL A 6 -9.667 4.215 3.597 1.00 35.32 H new ATOM 0 HG21 VAL A 6 -9.840 6.985 4.945 1.00 43.43 H new ATOM 0 HG22 VAL A 6 -8.763 5.697 5.535 1.00 43.43 H new ATOM 0 HG23 VAL A 6 -8.098 7.296 5.127 1.00 43.43 H new ATOM 93 N GLY A 7 -7.236 3.647 1.754 1.00 34.54 N ATOM 94 CA GLY A 7 -7.394 3.056 0.480 1.00 20.42 C ATOM 95 C GLY A 7 -7.578 1.586 0.529 1.00 64.42 C ATOM 96 O GLY A 7 -7.274 0.946 1.507 1.00 2.05 O ATOM 0 H GLY A 7 -7.232 2.990 2.534 1.00 34.54 H new ATOM 0 HA2 GLY A 7 -8.254 3.506 -0.016 1.00 20.42 H new ATOM 0 HA3 GLY A 7 -6.519 3.285 -0.129 1.00 20.42 H new ATOM 100 N LYS A 8 -8.097 1.073 -0.514 1.00 24.25 N ATOM 101 CA LYS A 8 -8.315 -0.320 -0.674 1.00 35.03 C ATOM 102 C LYS A 8 -7.177 -0.897 -1.473 1.00 12.24 C ATOM 103 O LYS A 8 -6.642 -0.228 -2.368 1.00 4.42 O ATOM 104 CB LYS A 8 -9.636 -0.538 -1.413 1.00 2.14 C ATOM 105 CG LYS A 8 -9.939 -1.988 -1.768 1.00 5.04 C ATOM 106 CD LYS A 8 -11.262 -2.117 -2.503 1.00 41.14 C ATOM 107 CE LYS A 8 -12.440 -1.803 -1.600 1.00 51.02 C ATOM 108 NZ LYS A 8 -13.720 -1.826 -2.334 1.00 33.22 N ATOM 0 H LYS A 8 -8.396 1.627 -1.316 1.00 24.25 H new ATOM 0 HA LYS A 8 -8.364 -0.811 0.298 1.00 35.03 H new ATOM 0 HB2 LYS A 8 -10.448 -0.152 -0.797 1.00 2.14 H new ATOM 0 HB3 LYS A 8 -9.624 0.051 -2.330 1.00 2.14 H new ATOM 0 HG2 LYS A 8 -9.137 -2.387 -2.389 1.00 5.04 H new ATOM 0 HG3 LYS A 8 -9.967 -2.588 -0.858 1.00 5.04 H new ATOM 0 HD2 LYS A 8 -11.270 -1.442 -3.359 1.00 41.14 H new ATOM 0 HD3 LYS A 8 -11.363 -3.129 -2.894 1.00 41.14 H new ATOM 0 HE2 LYS A 8 -12.476 -2.527 -0.786 1.00 51.02 H new ATOM 0 HE3 LYS A 8 -12.299 -0.821 -1.148 1.00 51.02 H new ATOM 0 HZ1 LYS A 8 -14.509 -1.793 -1.657 1.00 33.22 H new ATOM 0 HZ2 LYS A 8 -13.772 -1.003 -2.967 1.00 33.22 H new ATOM 0 HZ3 LYS A 8 -13.782 -2.699 -2.896 1.00 33.22 H new ATOM 122 N VAL A 9 -6.781 -2.109 -1.134 1.00 51.41 N ATOM 123 CA VAL A 9 -5.778 -2.814 -1.884 1.00 4.41 C ATOM 124 C VAL A 9 -6.270 -2.960 -3.317 1.00 60.20 C ATOM 125 O VAL A 9 -7.221 -3.710 -3.601 1.00 64.11 O ATOM 126 CB VAL A 9 -5.457 -4.204 -1.268 1.00 5.42 C ATOM 127 CG1 VAL A 9 -4.421 -4.944 -2.105 1.00 4.23 C ATOM 128 CG2 VAL A 9 -4.947 -4.046 0.158 1.00 44.23 C ATOM 0 H VAL A 9 -7.148 -2.624 -0.334 1.00 51.41 H new ATOM 0 HA VAL A 9 -4.849 -2.244 -1.858 1.00 4.41 H new ATOM 0 HB VAL A 9 -6.377 -4.788 -1.257 1.00 5.42 H new ATOM 0 HG11 VAL A 9 -4.213 -5.914 -1.653 1.00 4.23 H new ATOM 0 HG12 VAL A 9 -4.805 -5.089 -3.115 1.00 4.23 H new ATOM 0 HG13 VAL A 9 -3.502 -4.359 -2.147 1.00 4.23 H new ATOM 0 HG21 VAL A 9 -4.726 -5.028 0.576 1.00 44.23 H new ATOM 0 HG22 VAL A 9 -4.040 -3.441 0.155 1.00 44.23 H new ATOM 0 HG23 VAL A 9 -5.709 -3.556 0.765 1.00 44.23 H new ATOM 138 N LYS A 10 -5.652 -2.195 -4.183 1.00 70.51 N ATOM 139 CA LYS A 10 -6.015 -2.088 -5.575 1.00 5.22 C ATOM 140 C LYS A 10 -5.714 -3.406 -6.272 1.00 40.23 C ATOM 141 O LYS A 10 -6.552 -3.954 -6.973 1.00 34.02 O ATOM 142 CB LYS A 10 -5.232 -0.913 -6.147 1.00 20.42 C ATOM 143 CG LYS A 10 -5.460 -0.552 -7.583 1.00 11.51 C ATOM 144 CD LYS A 10 -4.641 0.688 -7.895 1.00 70.25 C ATOM 145 CE LYS A 10 -4.655 1.060 -9.348 1.00 43.21 C ATOM 146 NZ LYS A 10 -6.010 1.328 -9.861 1.00 72.22 N ATOM 0 H LYS A 10 -4.856 -1.610 -3.930 1.00 70.51 H new ATOM 0 HA LYS A 10 -7.079 -1.901 -5.720 1.00 5.22 H new ATOM 0 HB2 LYS A 10 -5.457 -0.035 -5.542 1.00 20.42 H new ATOM 0 HB3 LYS A 10 -4.170 -1.125 -6.020 1.00 20.42 H new ATOM 0 HG2 LYS A 10 -5.166 -1.376 -8.234 1.00 11.51 H new ATOM 0 HG3 LYS A 10 -6.518 -0.365 -7.765 1.00 11.51 H new ATOM 0 HD2 LYS A 10 -5.024 1.524 -7.310 1.00 70.25 H new ATOM 0 HD3 LYS A 10 -3.611 0.523 -7.580 1.00 70.25 H new ATOM 0 HE2 LYS A 10 -4.035 1.944 -9.497 1.00 43.21 H new ATOM 0 HE3 LYS A 10 -4.206 0.254 -9.928 1.00 43.21 H new ATOM 0 HZ1 LYS A 10 -5.949 1.661 -10.844 1.00 72.22 H new ATOM 0 HZ2 LYS A 10 -6.574 0.455 -9.826 1.00 72.22 H new ATOM 0 HZ3 LYS A 10 -6.465 2.058 -9.276 1.00 72.22 H new ATOM 160 N TRP A 11 -4.525 -3.902 -6.040 1.00 15.21 N ATOM 161 CA TRP A 11 -4.106 -5.213 -6.481 1.00 64.43 C ATOM 162 C TRP A 11 -2.846 -5.559 -5.777 1.00 4.02 C ATOM 163 O TRP A 11 -2.120 -4.666 -5.334 1.00 20.44 O ATOM 164 CB TRP A 11 -3.949 -5.365 -8.015 1.00 25.55 C ATOM 165 CG TRP A 11 -2.940 -4.478 -8.684 1.00 72.15 C ATOM 166 CD1 TRP A 11 -3.132 -3.217 -9.157 1.00 0.44 C ATOM 167 CD2 TRP A 11 -1.589 -4.817 -8.986 1.00 74.22 C ATOM 168 NE1 TRP A 11 -1.976 -2.746 -9.726 1.00 2.42 N ATOM 169 CE2 TRP A 11 -1.010 -3.714 -9.632 1.00 24.31 C ATOM 170 CE3 TRP A 11 -0.817 -5.949 -8.761 1.00 52.21 C ATOM 171 CZ2 TRP A 11 0.316 -3.714 -10.064 1.00 73.40 C ATOM 172 CZ3 TRP A 11 0.497 -5.950 -9.186 1.00 41.30 C ATOM 173 CH2 TRP A 11 1.052 -4.840 -9.828 1.00 44.24 C ATOM 0 H TRP A 11 -3.803 -3.396 -5.528 1.00 15.21 H new ATOM 0 HA TRP A 11 -4.905 -5.910 -6.226 1.00 64.43 H new ATOM 0 HB2 TRP A 11 -3.685 -6.401 -8.228 1.00 25.55 H new ATOM 0 HB3 TRP A 11 -4.920 -5.182 -8.475 1.00 25.55 H new ATOM 0 HD1 TRP A 11 -4.059 -2.667 -9.094 1.00 0.44 H new ATOM 0 HE1 TRP A 11 -1.855 -1.826 -10.150 1.00 2.42 H new ATOM 0 HE3 TRP A 11 -1.236 -6.811 -8.264 1.00 52.21 H new ATOM 0 HZ2 TRP A 11 0.744 -2.858 -10.565 1.00 73.40 H new ATOM 0 HZ3 TRP A 11 1.107 -6.825 -9.019 1.00 41.30 H new ATOM 0 HH2 TRP A 11 2.084 -4.873 -10.144 1.00 44.24 H new ATOM 184 N TYR A 12 -2.589 -6.816 -5.656 1.00 24.33 N ATOM 185 CA TYR A 12 -1.428 -7.289 -4.947 1.00 71.03 C ATOM 186 C TYR A 12 -1.126 -8.693 -5.357 1.00 21.03 C ATOM 187 O TYR A 12 -1.866 -9.612 -5.027 1.00 1.24 O ATOM 188 CB TYR A 12 -1.668 -7.211 -3.422 1.00 60.42 C ATOM 189 CG TYR A 12 -0.527 -7.716 -2.549 1.00 52.42 C ATOM 190 CD1 TYR A 12 0.572 -6.918 -2.268 1.00 4.41 C ATOM 191 CD2 TYR A 12 -0.571 -8.987 -1.983 1.00 70.14 C ATOM 192 CE1 TYR A 12 1.591 -7.370 -1.448 1.00 54.12 C ATOM 193 CE2 TYR A 12 0.443 -9.446 -1.168 1.00 44.34 C ATOM 194 CZ TYR A 12 1.522 -8.637 -0.902 1.00 34.50 C ATOM 195 OH TYR A 12 2.528 -9.089 -0.075 1.00 3.30 O ATOM 0 H TYR A 12 -3.174 -7.556 -6.044 1.00 24.33 H new ATOM 0 HA TYR A 12 -0.574 -6.658 -5.194 1.00 71.03 H new ATOM 0 HB2 TYR A 12 -1.872 -6.174 -3.157 1.00 60.42 H new ATOM 0 HB3 TYR A 12 -2.565 -7.783 -3.184 1.00 60.42 H new ATOM 0 HD1 TYR A 12 0.634 -5.928 -2.696 1.00 4.41 H new ATOM 0 HD2 TYR A 12 -1.417 -9.627 -2.186 1.00 70.14 H new ATOM 0 HE1 TYR A 12 2.438 -6.734 -1.236 1.00 54.12 H new ATOM 0 HE2 TYR A 12 0.389 -10.436 -0.741 1.00 44.34 H new ATOM 0 HH TYR A 12 2.322 -10.000 0.223 1.00 3.30 H new ATOM 205 N ASN A 13 -0.073 -8.861 -6.097 1.00 11.11 N ATOM 206 CA ASN A 13 0.345 -10.175 -6.496 1.00 33.42 C ATOM 207 C ASN A 13 1.183 -10.719 -5.379 1.00 4.22 C ATOM 208 O ASN A 13 2.311 -10.275 -5.184 1.00 22.13 O ATOM 209 CB ASN A 13 1.169 -10.158 -7.796 1.00 15.23 C ATOM 210 CG ASN A 13 0.452 -9.568 -9.015 1.00 63.23 C ATOM 211 OD1 ASN A 13 1.101 -9.028 -9.913 1.00 52.13 O ATOM 212 ND2 ASN A 13 -0.857 -9.660 -9.069 1.00 4.13 N ATOM 0 H ASN A 13 0.517 -8.102 -6.439 1.00 11.11 H new ATOM 0 HA ASN A 13 -0.533 -10.791 -6.691 1.00 33.42 H new ATOM 0 HB2 ASN A 13 2.082 -9.589 -7.621 1.00 15.23 H new ATOM 0 HB3 ASN A 13 1.470 -11.179 -8.030 1.00 15.23 H new ATOM 0 HD21 ASN A 13 -1.362 -9.279 -9.869 1.00 4.13 H new ATOM 0 HD22 ASN A 13 -1.368 -10.112 -8.311 1.00 4.13 H new ATOM 219 N SER A 14 0.640 -11.648 -4.637 1.00 23.41 N ATOM 220 CA SER A 14 1.286 -12.177 -3.452 1.00 63.42 C ATOM 221 C SER A 14 2.614 -12.882 -3.750 1.00 24.11 C ATOM 222 O SER A 14 3.494 -12.948 -2.891 1.00 13.05 O ATOM 223 CB SER A 14 0.320 -13.077 -2.693 1.00 14.11 C ATOM 224 OG SER A 14 -0.241 -14.055 -3.551 1.00 42.22 O ATOM 0 H SER A 14 -0.269 -12.066 -4.835 1.00 23.41 H new ATOM 0 HA SER A 14 1.550 -11.330 -2.818 1.00 63.42 H new ATOM 0 HB2 SER A 14 0.842 -13.566 -1.870 1.00 14.11 H new ATOM 0 HB3 SER A 14 -0.475 -12.475 -2.253 1.00 14.11 H new ATOM 0 HG SER A 14 -0.857 -14.622 -3.042 1.00 42.22 H new ATOM 230 N THR A 15 2.762 -13.392 -4.956 1.00 72.23 N ATOM 231 CA THR A 15 3.989 -14.035 -5.361 1.00 24.45 C ATOM 232 C THR A 15 5.108 -12.978 -5.546 1.00 33.13 C ATOM 233 O THR A 15 6.282 -13.239 -5.273 1.00 24.14 O ATOM 234 CB THR A 15 3.766 -14.817 -6.673 1.00 1.53 C ATOM 235 OG1 THR A 15 2.653 -15.711 -6.503 1.00 54.41 O ATOM 236 CG2 THR A 15 4.999 -15.625 -7.056 1.00 33.45 C ATOM 0 H THR A 15 2.039 -13.371 -5.676 1.00 72.23 H new ATOM 0 HA THR A 15 4.297 -14.735 -4.584 1.00 24.45 H new ATOM 0 HB THR A 15 3.566 -14.100 -7.469 1.00 1.53 H new ATOM 0 HG1 THR A 15 2.504 -16.210 -7.333 1.00 54.41 H new ATOM 0 HG21 THR A 15 4.807 -16.163 -7.984 1.00 33.45 H new ATOM 0 HG22 THR A 15 5.846 -14.953 -7.194 1.00 33.45 H new ATOM 0 HG23 THR A 15 5.227 -16.338 -6.264 1.00 33.45 H new ATOM 244 N LYS A 16 4.725 -11.773 -5.970 1.00 51.50 N ATOM 245 CA LYS A 16 5.694 -10.696 -6.177 1.00 70.00 C ATOM 246 C LYS A 16 5.751 -9.801 -4.943 1.00 20.22 C ATOM 247 O LYS A 16 6.645 -8.959 -4.823 1.00 14.21 O ATOM 248 CB LYS A 16 5.258 -9.806 -7.356 1.00 15.12 C ATOM 249 CG LYS A 16 5.172 -10.472 -8.723 1.00 40.42 C ATOM 250 CD LYS A 16 4.623 -9.472 -9.746 1.00 40.21 C ATOM 251 CE LYS A 16 4.552 -10.038 -11.163 1.00 14.50 C ATOM 252 NZ LYS A 16 5.885 -10.367 -11.720 1.00 41.20 N ATOM 0 H LYS A 16 3.759 -11.519 -6.175 1.00 51.50 H new ATOM 0 HA LYS A 16 6.663 -11.154 -6.374 1.00 70.00 H new ATOM 0 HB2 LYS A 16 4.280 -9.385 -7.121 1.00 15.12 H new ATOM 0 HB3 LYS A 16 5.955 -8.971 -7.428 1.00 15.12 H new ATOM 0 HG2 LYS A 16 6.158 -10.820 -9.032 1.00 40.42 H new ATOM 0 HG3 LYS A 16 4.526 -11.348 -8.672 1.00 40.42 H new ATOM 0 HD2 LYS A 16 3.626 -9.157 -9.437 1.00 40.21 H new ATOM 0 HD3 LYS A 16 5.252 -8.582 -9.748 1.00 40.21 H new ATOM 0 HE2 LYS A 16 3.934 -10.936 -11.160 1.00 14.50 H new ATOM 0 HE3 LYS A 16 4.060 -9.315 -11.814 1.00 14.50 H new ATOM 0 HZ1 LYS A 16 5.785 -10.650 -12.716 1.00 41.20 H new ATOM 0 HZ2 LYS A 16 6.503 -9.533 -11.657 1.00 41.20 H new ATOM 0 HZ3 LYS A 16 6.304 -11.150 -11.178 1.00 41.20 H new ATOM 266 N ASN A 17 4.803 -10.017 -4.020 1.00 13.12 N ATOM 267 CA ASN A 17 4.638 -9.190 -2.802 1.00 13.02 C ATOM 268 C ASN A 17 4.553 -7.709 -3.180 1.00 65.14 C ATOM 269 O ASN A 17 4.993 -6.838 -2.432 1.00 24.32 O ATOM 270 CB ASN A 17 5.789 -9.402 -1.802 1.00 34.40 C ATOM 271 CG ASN A 17 5.906 -10.826 -1.282 1.00 63.31 C ATOM 272 OD1 ASN A 17 5.272 -11.204 -0.290 1.00 25.34 O ATOM 273 ND2 ASN A 17 6.752 -11.595 -1.899 1.00 40.35 N ATOM 0 H ASN A 17 4.122 -10.773 -4.092 1.00 13.12 H new ATOM 0 HA ASN A 17 3.712 -9.503 -2.319 1.00 13.02 H new ATOM 0 HB2 ASN A 17 6.728 -9.123 -2.281 1.00 34.40 H new ATOM 0 HB3 ASN A 17 5.650 -8.728 -0.957 1.00 34.40 H new ATOM 0 HD21 ASN A 17 6.912 -12.546 -1.568 1.00 40.35 H new ATOM 0 HD22 ASN A 17 7.257 -11.247 -2.714 1.00 40.35 H new ATOM 280 N PHE A 18 3.948 -7.431 -4.318 1.00 0.34 N ATOM 281 CA PHE A 18 3.892 -6.084 -4.839 1.00 4.25 C ATOM 282 C PHE A 18 2.516 -5.823 -5.431 1.00 14.34 C ATOM 283 O PHE A 18 1.807 -6.767 -5.827 1.00 72.10 O ATOM 284 CB PHE A 18 4.972 -5.925 -5.923 1.00 34.44 C ATOM 285 CG PHE A 18 5.148 -4.532 -6.467 1.00 42.55 C ATOM 286 CD1 PHE A 18 5.982 -3.629 -5.834 1.00 33.32 C ATOM 287 CD2 PHE A 18 4.485 -4.134 -7.615 1.00 45.21 C ATOM 288 CE1 PHE A 18 6.150 -2.357 -6.332 1.00 43.45 C ATOM 289 CE2 PHE A 18 4.645 -2.866 -8.116 1.00 71.20 C ATOM 290 CZ PHE A 18 5.481 -1.975 -7.476 1.00 13.44 C ATOM 0 H PHE A 18 3.486 -8.128 -4.902 1.00 0.34 H new ATOM 0 HA PHE A 18 4.071 -5.367 -4.038 1.00 4.25 H new ATOM 0 HB2 PHE A 18 5.925 -6.259 -5.513 1.00 34.44 H new ATOM 0 HB3 PHE A 18 4.731 -6.591 -6.751 1.00 34.44 H new ATOM 0 HD1 PHE A 18 6.508 -3.925 -4.938 1.00 33.32 H new ATOM 0 HD2 PHE A 18 3.834 -4.830 -8.123 1.00 45.21 H new ATOM 0 HE1 PHE A 18 6.804 -1.660 -5.829 1.00 43.45 H new ATOM 0 HE2 PHE A 18 4.117 -2.567 -9.010 1.00 71.20 H new ATOM 0 HZ PHE A 18 5.612 -0.978 -7.871 1.00 13.44 H new ATOM 300 N GLY A 19 2.149 -4.573 -5.493 1.00 11.54 N ATOM 301 CA GLY A 19 0.880 -4.180 -6.043 1.00 32.13 C ATOM 302 C GLY A 19 0.641 -2.706 -5.866 1.00 63.51 C ATOM 303 O GLY A 19 1.590 -1.937 -5.756 1.00 15.54 O ATOM 0 H GLY A 19 2.722 -3.796 -5.163 1.00 11.54 H new ATOM 0 HA2 GLY A 19 0.847 -4.431 -7.103 1.00 32.13 H new ATOM 0 HA3 GLY A 19 0.081 -4.741 -5.558 1.00 32.13 H new ATOM 307 N PHE A 20 -0.610 -2.319 -5.817 1.00 44.00 N ATOM 308 CA PHE A 20 -1.018 -0.927 -5.632 1.00 74.52 C ATOM 309 C PHE A 20 -2.162 -0.827 -4.654 1.00 52.10 C ATOM 310 O PHE A 20 -2.780 -1.839 -4.301 1.00 45.52 O ATOM 311 CB PHE A 20 -1.428 -0.243 -6.941 1.00 42.34 C ATOM 312 CG PHE A 20 -0.313 0.216 -7.850 1.00 41.20 C ATOM 313 CD1 PHE A 20 0.377 -0.669 -8.645 1.00 65.51 C ATOM 314 CD2 PHE A 20 0.028 1.558 -7.906 1.00 53.14 C ATOM 315 CE1 PHE A 20 1.387 -0.237 -9.479 1.00 24.04 C ATOM 316 CE2 PHE A 20 1.037 2.002 -8.739 1.00 21.23 C ATOM 317 CZ PHE A 20 1.718 1.102 -9.527 1.00 13.20 C ATOM 0 H PHE A 20 -1.395 -2.965 -5.905 1.00 44.00 H new ATOM 0 HA PHE A 20 -0.141 -0.411 -5.242 1.00 74.52 H new ATOM 0 HB2 PHE A 20 -2.060 -0.933 -7.501 1.00 42.34 H new ATOM 0 HB3 PHE A 20 -2.042 0.623 -6.694 1.00 42.34 H new ATOM 0 HD1 PHE A 20 0.124 -1.719 -8.616 1.00 65.51 H new ATOM 0 HD2 PHE A 20 -0.503 2.268 -7.289 1.00 53.14 H new ATOM 0 HE1 PHE A 20 1.919 -0.947 -10.095 1.00 24.04 H new ATOM 0 HE2 PHE A 20 1.290 3.051 -8.772 1.00 21.23 H new ATOM 0 HZ PHE A 20 2.508 1.442 -10.180 1.00 13.20 H new ATOM 327 N ILE A 21 -2.463 0.393 -4.244 1.00 2.11 N ATOM 328 CA ILE A 21 -3.521 0.681 -3.283 1.00 41.20 C ATOM 329 C ILE A 21 -4.176 2.023 -3.642 1.00 74.31 C ATOM 330 O ILE A 21 -3.475 2.996 -3.896 1.00 71.10 O ATOM 331 CB ILE A 21 -2.948 0.802 -1.831 1.00 65.02 C ATOM 332 CG1 ILE A 21 -2.177 -0.465 -1.431 1.00 62.01 C ATOM 333 CG2 ILE A 21 -4.073 1.068 -0.841 1.00 54.24 C ATOM 334 CD1 ILE A 21 -1.540 -0.401 -0.057 1.00 51.23 C ATOM 0 H ILE A 21 -1.974 1.226 -4.572 1.00 2.11 H new ATOM 0 HA ILE A 21 -4.242 -0.136 -3.320 1.00 41.20 H new ATOM 0 HB ILE A 21 -2.252 1.641 -1.812 1.00 65.02 H new ATOM 0 HG12 ILE A 21 -2.858 -1.316 -1.464 1.00 62.01 H new ATOM 0 HG13 ILE A 21 -1.399 -0.651 -2.171 1.00 62.01 H new ATOM 0 HG21 ILE A 21 -3.661 1.150 0.165 1.00 54.24 H new ATOM 0 HG22 ILE A 21 -4.576 1.998 -1.104 1.00 54.24 H new ATOM 0 HG23 ILE A 21 -4.789 0.246 -0.874 1.00 54.24 H new ATOM 0 HD11 ILE A 21 -1.016 -1.335 0.145 1.00 51.23 H new ATOM 0 HD12 ILE A 21 -0.832 0.427 -0.023 1.00 51.23 H new ATOM 0 HD13 ILE A 21 -2.313 -0.248 0.696 1.00 51.23 H new ATOM 346 N GLU A 22 -5.498 2.061 -3.709 1.00 74.41 N ATOM 347 CA GLU A 22 -6.215 3.308 -3.920 1.00 1.22 C ATOM 348 C GLU A 22 -7.496 3.262 -3.132 1.00 14.44 C ATOM 349 O GLU A 22 -8.077 2.197 -2.967 1.00 43.53 O ATOM 350 CB GLU A 22 -6.552 3.557 -5.397 1.00 40.21 C ATOM 351 CG GLU A 22 -7.541 2.570 -5.981 1.00 3.13 C ATOM 352 CD GLU A 22 -7.946 2.913 -7.385 1.00 64.34 C ATOM 353 OE1 GLU A 22 -7.076 3.042 -8.242 1.00 73.40 O ATOM 354 OE2 GLU A 22 -9.149 3.076 -7.639 1.00 54.11 O ATOM 0 H GLU A 22 -6.097 1.240 -3.620 1.00 74.41 H new ATOM 0 HA GLU A 22 -5.568 4.121 -3.592 1.00 1.22 H new ATOM 0 HB2 GLU A 22 -6.956 4.564 -5.502 1.00 40.21 H new ATOM 0 HB3 GLU A 22 -5.632 3.520 -5.980 1.00 40.21 H new ATOM 0 HG2 GLU A 22 -7.102 1.572 -5.968 1.00 3.13 H new ATOM 0 HG3 GLU A 22 -8.429 2.536 -5.350 1.00 3.13 H new ATOM 361 N GLN A 23 -7.946 4.375 -2.635 1.00 44.20 N ATOM 362 CA GLN A 23 -9.224 4.372 -1.967 1.00 42.02 C ATOM 363 C GLN A 23 -10.290 4.408 -2.997 1.00 44.42 C ATOM 364 O GLN A 23 -10.099 4.995 -4.078 1.00 72.43 O ATOM 365 CB GLN A 23 -9.386 5.527 -0.968 1.00 2.31 C ATOM 366 CG GLN A 23 -9.334 6.891 -1.586 1.00 33.24 C ATOM 367 CD GLN A 23 -9.303 7.997 -0.567 1.00 22.41 C ATOM 368 OE1 GLN A 23 -10.336 8.522 -0.152 1.00 51.01 O ATOM 369 NE2 GLN A 23 -8.126 8.321 -0.125 1.00 14.24 N ATOM 0 H GLN A 23 -7.468 5.275 -2.673 1.00 44.20 H new ATOM 0 HA GLN A 23 -9.296 3.461 -1.373 1.00 42.02 H new ATOM 0 HB2 GLN A 23 -10.338 5.412 -0.450 1.00 2.31 H new ATOM 0 HB3 GLN A 23 -8.602 5.452 -0.215 1.00 2.31 H new ATOM 0 HG2 GLN A 23 -8.450 6.963 -2.220 1.00 33.24 H new ATOM 0 HG3 GLN A 23 -10.201 7.024 -2.233 1.00 33.24 H new ATOM 0 HE21 GLN A 23 -7.296 7.859 -0.498 1.00 14.24 H new ATOM 0 HE22 GLN A 23 -8.031 9.037 0.595 1.00 14.24 H new ATOM 378 N ASP A 24 -11.388 3.791 -2.678 1.00 42.42 N ATOM 379 CA ASP A 24 -12.555 3.712 -3.552 1.00 34.11 C ATOM 380 C ASP A 24 -13.015 5.086 -4.017 1.00 14.00 C ATOM 381 O ASP A 24 -13.615 5.222 -5.071 1.00 64.10 O ATOM 382 CB ASP A 24 -13.700 3.024 -2.832 1.00 3.02 C ATOM 383 CG ASP A 24 -13.434 1.583 -2.496 1.00 21.42 C ATOM 384 OD1 ASP A 24 -13.758 0.695 -3.316 1.00 61.12 O ATOM 385 OD2 ASP A 24 -12.919 1.309 -1.403 1.00 43.41 O ATOM 0 H ASP A 24 -11.516 3.313 -1.786 1.00 42.42 H new ATOM 0 HA ASP A 24 -12.261 3.136 -4.429 1.00 34.11 H new ATOM 0 HB2 ASP A 24 -13.915 3.567 -1.912 1.00 3.02 H new ATOM 0 HB3 ASP A 24 -14.594 3.082 -3.453 1.00 3.02 H new ATOM 390 N ASN A 25 -12.703 6.102 -3.232 1.00 45.43 N ATOM 391 CA ASN A 25 -13.102 7.460 -3.518 1.00 51.43 C ATOM 392 C ASN A 25 -12.245 8.093 -4.608 1.00 52.43 C ATOM 393 O ASN A 25 -12.497 9.230 -5.018 1.00 54.40 O ATOM 394 CB ASN A 25 -13.022 8.305 -2.255 1.00 61.34 C ATOM 395 CG ASN A 25 -13.887 7.766 -1.146 1.00 13.22 C ATOM 396 OD1 ASN A 25 -13.442 6.949 -0.332 1.00 42.11 O ATOM 397 ND2 ASN A 25 -15.104 8.203 -1.103 1.00 45.32 N ATOM 0 H ASN A 25 -12.162 6.002 -2.373 1.00 45.43 H new ATOM 0 HA ASN A 25 -14.130 7.425 -3.879 1.00 51.43 H new ATOM 0 HB2 ASN A 25 -11.987 8.349 -1.916 1.00 61.34 H new ATOM 0 HB3 ASN A 25 -13.326 9.326 -2.485 1.00 61.34 H new ATOM 0 HD21 ASN A 25 -15.739 7.873 -0.376 1.00 45.32 H new ATOM 0 HD22 ASN A 25 -15.428 8.877 -1.796 1.00 45.32 H new ATOM 404 N GLY A 26 -11.237 7.385 -5.077 1.00 14.55 N ATOM 405 CA GLY A 26 -10.402 7.942 -6.104 1.00 22.24 C ATOM 406 C GLY A 26 -9.040 8.319 -5.597 1.00 43.02 C ATOM 407 O GLY A 26 -8.587 9.451 -5.797 1.00 61.24 O ATOM 0 H GLY A 26 -10.986 6.446 -4.768 1.00 14.55 H new ATOM 0 HA2 GLY A 26 -10.297 7.220 -6.914 1.00 22.24 H new ATOM 0 HA3 GLY A 26 -10.887 8.824 -6.523 1.00 22.24 H new ATOM 411 N GLY A 27 -8.388 7.401 -4.922 1.00 43.33 N ATOM 412 CA GLY A 27 -7.049 7.678 -4.439 1.00 3.42 C ATOM 413 C GLY A 27 -6.038 7.496 -5.562 1.00 13.25 C ATOM 414 O GLY A 27 -6.272 6.700 -6.473 1.00 2.51 O ATOM 0 H GLY A 27 -8.750 6.474 -4.697 1.00 43.33 H new ATOM 0 HA2 GLY A 27 -6.997 8.696 -4.054 1.00 3.42 H new ATOM 0 HA3 GLY A 27 -6.808 7.011 -3.611 1.00 3.42 H new ATOM 418 N LYS A 28 -4.940 8.230 -5.513 1.00 12.11 N ATOM 419 CA LYS A 28 -3.921 8.175 -6.574 1.00 34.12 C ATOM 420 C LYS A 28 -3.160 6.854 -6.576 1.00 35.05 C ATOM 421 O LYS A 28 -3.194 6.106 -5.594 1.00 74.11 O ATOM 422 CB LYS A 28 -2.922 9.319 -6.437 1.00 42.24 C ATOM 423 CG LYS A 28 -3.527 10.700 -6.517 1.00 5.14 C ATOM 424 CD LYS A 28 -2.442 11.747 -6.507 1.00 12.22 C ATOM 425 CE LYS A 28 -3.011 13.146 -6.584 1.00 52.52 C ATOM 426 NZ LYS A 28 -1.950 14.170 -6.637 1.00 60.05 N ATOM 0 H LYS A 28 -4.721 8.875 -4.754 1.00 12.11 H new ATOM 0 HA LYS A 28 -4.460 8.267 -7.517 1.00 34.12 H new ATOM 0 HB2 LYS A 28 -2.405 9.219 -5.483 1.00 42.24 H new ATOM 0 HB3 LYS A 28 -2.169 9.221 -7.219 1.00 42.24 H new ATOM 0 HG2 LYS A 28 -4.122 10.792 -7.426 1.00 5.14 H new ATOM 0 HG3 LYS A 28 -4.202 10.858 -5.676 1.00 5.14 H new ATOM 0 HD2 LYS A 28 -1.848 11.646 -5.599 1.00 12.22 H new ATOM 0 HD3 LYS A 28 -1.769 11.581 -7.348 1.00 12.22 H new ATOM 0 HE2 LYS A 28 -3.643 13.232 -7.468 1.00 52.52 H new ATOM 0 HE3 LYS A 28 -3.647 13.327 -5.718 1.00 52.52 H new ATOM 0 HZ1 LYS A 28 -2.382 15.115 -6.689 1.00 60.05 H new ATOM 0 HZ2 LYS A 28 -1.362 14.105 -5.782 1.00 60.05 H new ATOM 0 HZ3 LYS A 28 -1.358 14.013 -7.477 1.00 60.05 H new ATOM 440 N ASP A 29 -2.474 6.581 -7.684 1.00 72.10 N ATOM 441 CA ASP A 29 -1.656 5.377 -7.817 1.00 14.20 C ATOM 442 C ASP A 29 -0.468 5.414 -6.882 1.00 73.12 C ATOM 443 O ASP A 29 0.503 6.167 -7.096 1.00 72.43 O ATOM 444 CB ASP A 29 -1.126 5.153 -9.254 1.00 2.23 C ATOM 445 CG ASP A 29 -2.177 4.858 -10.295 1.00 41.31 C ATOM 446 OD1 ASP A 29 -2.591 3.688 -10.434 1.00 75.20 O ATOM 447 OD2 ASP A 29 -2.566 5.787 -11.034 1.00 73.04 O ATOM 0 H ASP A 29 -2.469 7.182 -8.508 1.00 72.10 H new ATOM 0 HA ASP A 29 -2.322 4.553 -7.560 1.00 14.20 H new ATOM 0 HB2 ASP A 29 -0.574 6.041 -9.562 1.00 2.23 H new ATOM 0 HB3 ASP A 29 -0.415 4.327 -9.236 1.00 2.23 H new ATOM 452 N VAL A 30 -0.551 4.656 -5.846 1.00 63.12 N ATOM 453 CA VAL A 30 0.547 4.461 -4.963 1.00 20.25 C ATOM 454 C VAL A 30 0.785 2.970 -4.809 1.00 25.12 C ATOM 455 O VAL A 30 -0.134 2.209 -4.483 1.00 14.21 O ATOM 456 CB VAL A 30 0.379 5.204 -3.594 1.00 32.50 C ATOM 457 CG1 VAL A 30 -0.915 4.878 -2.902 1.00 15.34 C ATOM 458 CG2 VAL A 30 1.515 4.881 -2.676 1.00 33.21 C ATOM 0 H VAL A 30 -1.395 4.146 -5.583 1.00 63.12 H new ATOM 0 HA VAL A 30 1.436 4.917 -5.399 1.00 20.25 H new ATOM 0 HB VAL A 30 0.372 6.268 -3.829 1.00 32.50 H new ATOM 0 HG11 VAL A 30 -0.971 5.424 -1.960 1.00 15.34 H new ATOM 0 HG12 VAL A 30 -1.751 5.167 -3.539 1.00 15.34 H new ATOM 0 HG13 VAL A 30 -0.962 3.807 -2.704 1.00 15.34 H new ATOM 0 HG21 VAL A 30 1.380 5.407 -1.731 1.00 33.21 H new ATOM 0 HG22 VAL A 30 1.541 3.807 -2.493 1.00 33.21 H new ATOM 0 HG23 VAL A 30 2.453 5.194 -3.134 1.00 33.21 H new ATOM 468 N PHE A 31 1.991 2.545 -5.107 1.00 3.54 N ATOM 469 CA PHE A 31 2.304 1.141 -5.104 1.00 21.04 C ATOM 470 C PHE A 31 2.723 0.652 -3.750 1.00 3.22 C ATOM 471 O PHE A 31 3.275 1.396 -2.964 1.00 11.42 O ATOM 472 CB PHE A 31 3.326 0.763 -6.199 1.00 13.42 C ATOM 473 CG PHE A 31 4.639 1.500 -6.180 1.00 3.24 C ATOM 474 CD1 PHE A 31 5.711 1.027 -5.444 1.00 20.02 C ATOM 475 CD2 PHE A 31 4.804 2.653 -6.926 1.00 74.13 C ATOM 476 CE1 PHE A 31 6.920 1.693 -5.449 1.00 54.30 C ATOM 477 CE2 PHE A 31 6.004 3.325 -6.932 1.00 43.10 C ATOM 478 CZ PHE A 31 7.065 2.844 -6.193 1.00 14.00 C ATOM 0 H PHE A 31 2.770 3.155 -5.354 1.00 3.54 H new ATOM 0 HA PHE A 31 1.378 0.622 -5.350 1.00 21.04 H new ATOM 0 HB2 PHE A 31 3.533 -0.304 -6.118 1.00 13.42 H new ATOM 0 HB3 PHE A 31 2.859 0.924 -7.171 1.00 13.42 H new ATOM 0 HD1 PHE A 31 5.600 0.126 -4.859 1.00 20.02 H new ATOM 0 HD2 PHE A 31 3.979 3.031 -7.512 1.00 74.13 H new ATOM 0 HE1 PHE A 31 7.750 1.313 -4.872 1.00 54.30 H new ATOM 0 HE2 PHE A 31 6.116 4.228 -7.514 1.00 43.10 H new ATOM 0 HZ PHE A 31 8.009 3.369 -6.198 1.00 14.00 H new ATOM 488 N VAL A 32 2.444 -0.582 -3.481 1.00 63.44 N ATOM 489 CA VAL A 32 2.808 -1.173 -2.237 1.00 53.42 C ATOM 490 C VAL A 32 3.981 -2.123 -2.447 1.00 73.41 C ATOM 491 O VAL A 32 3.961 -2.984 -3.333 1.00 20.43 O ATOM 492 CB VAL A 32 1.604 -1.888 -1.529 1.00 4.42 C ATOM 493 CG1 VAL A 32 1.020 -3.017 -2.369 1.00 50.53 C ATOM 494 CG2 VAL A 32 1.994 -2.385 -0.137 1.00 72.31 C ATOM 0 H VAL A 32 1.956 -1.209 -4.120 1.00 63.44 H new ATOM 0 HA VAL A 32 3.113 -0.373 -1.563 1.00 53.42 H new ATOM 0 HB VAL A 32 0.820 -1.139 -1.416 1.00 4.42 H new ATOM 0 HG11 VAL A 32 0.190 -3.478 -1.833 1.00 50.53 H new ATOM 0 HG12 VAL A 32 0.662 -2.617 -3.317 1.00 50.53 H new ATOM 0 HG13 VAL A 32 1.790 -3.765 -2.559 1.00 50.53 H new ATOM 0 HG21 VAL A 32 1.138 -2.876 0.327 1.00 72.31 H new ATOM 0 HG22 VAL A 32 2.817 -3.094 -0.221 1.00 72.31 H new ATOM 0 HG23 VAL A 32 2.305 -1.540 0.477 1.00 72.31 H new ATOM 504 N HIS A 33 5.005 -1.916 -1.680 1.00 43.44 N ATOM 505 CA HIS A 33 6.194 -2.730 -1.717 1.00 23.34 C ATOM 506 C HIS A 33 6.248 -3.500 -0.406 1.00 11.11 C ATOM 507 O HIS A 33 5.669 -3.047 0.578 1.00 41.13 O ATOM 508 CB HIS A 33 7.416 -1.811 -1.897 1.00 2.15 C ATOM 509 CG HIS A 33 8.702 -2.536 -2.004 1.00 71.21 C ATOM 510 ND1 HIS A 33 8.892 -3.574 -2.852 1.00 12.34 N ATOM 511 CD2 HIS A 33 9.839 -2.406 -1.324 1.00 0.22 C ATOM 512 CE1 HIS A 33 10.080 -4.055 -2.689 1.00 14.03 C ATOM 513 NE2 HIS A 33 10.684 -3.363 -1.775 1.00 44.14 N ATOM 0 H HIS A 33 5.045 -1.162 -0.994 1.00 43.44 H new ATOM 0 HA HIS A 33 6.189 -3.436 -2.547 1.00 23.34 H new ATOM 0 HB2 HIS A 33 7.275 -1.207 -2.793 1.00 2.15 H new ATOM 0 HB3 HIS A 33 7.468 -1.122 -1.054 1.00 2.15 H new ATOM 0 HD2 HIS A 33 10.048 -1.675 -0.557 1.00 0.22 H new ATOM 0 HE1 HIS A 33 10.499 -4.894 -3.225 1.00 14.03 H new ATOM 0 HE2 HIS A 33 11.639 -3.514 -1.449 1.00 44.14 H new ATOM 522 N LYS A 34 6.947 -4.634 -0.355 1.00 23.02 N ATOM 523 CA LYS A 34 6.893 -5.457 0.854 1.00 15.14 C ATOM 524 C LYS A 34 7.637 -4.812 2.021 1.00 53.31 C ATOM 525 O LYS A 34 7.478 -5.207 3.166 1.00 75.40 O ATOM 526 CB LYS A 34 7.294 -6.926 0.621 1.00 30.13 C ATOM 527 CG LYS A 34 6.999 -7.808 1.830 1.00 40.30 C ATOM 528 CD LYS A 34 7.153 -9.247 1.509 1.00 43.23 C ATOM 529 CE LYS A 34 6.797 -10.132 2.680 1.00 0.25 C ATOM 530 NZ LYS A 34 6.795 -11.555 2.292 1.00 14.52 N ATOM 0 H LYS A 34 7.536 -4.994 -1.105 1.00 23.02 H new ATOM 0 HA LYS A 34 5.842 -5.499 1.139 1.00 15.14 H new ATOM 0 HB2 LYS A 34 6.759 -7.313 -0.247 1.00 30.13 H new ATOM 0 HB3 LYS A 34 8.358 -6.977 0.388 1.00 30.13 H new ATOM 0 HG2 LYS A 34 7.671 -7.543 2.646 1.00 40.30 H new ATOM 0 HG3 LYS A 34 5.984 -7.620 2.179 1.00 40.30 H new ATOM 0 HD2 LYS A 34 6.518 -9.498 0.659 1.00 43.23 H new ATOM 0 HD3 LYS A 34 8.182 -9.442 1.207 1.00 43.23 H new ATOM 0 HE2 LYS A 34 7.510 -9.974 3.489 1.00 0.25 H new ATOM 0 HE3 LYS A 34 5.815 -9.855 3.063 1.00 0.25 H new ATOM 0 HZ1 LYS A 34 6.325 -12.116 3.031 1.00 14.52 H new ATOM 0 HZ2 LYS A 34 6.284 -11.669 1.393 1.00 14.52 H new ATOM 0 HZ3 LYS A 34 7.775 -11.885 2.178 1.00 14.52 H new ATOM 544 N SER A 35 8.433 -3.798 1.723 1.00 54.33 N ATOM 545 CA SER A 35 9.048 -2.980 2.768 1.00 72.11 C ATOM 546 C SER A 35 7.940 -2.335 3.650 1.00 41.42 C ATOM 547 O SER A 35 8.171 -1.978 4.807 1.00 12.31 O ATOM 548 CB SER A 35 9.945 -1.905 2.140 1.00 24.30 C ATOM 549 OG SER A 35 10.641 -1.160 3.119 1.00 31.54 O ATOM 0 H SER A 35 8.671 -3.518 0.771 1.00 54.33 H new ATOM 0 HA SER A 35 9.671 -3.612 3.401 1.00 72.11 H new ATOM 0 HB2 SER A 35 10.661 -2.377 1.467 1.00 24.30 H new ATOM 0 HB3 SER A 35 9.336 -1.232 1.537 1.00 24.30 H new ATOM 0 HG SER A 35 11.202 -0.487 2.680 1.00 31.54 H new ATOM 555 N ALA A 36 6.732 -2.216 3.097 1.00 60.31 N ATOM 556 CA ALA A 36 5.601 -1.714 3.841 1.00 2.22 C ATOM 557 C ALA A 36 5.107 -2.776 4.780 1.00 73.30 C ATOM 558 O ALA A 36 4.708 -2.483 5.912 1.00 54.24 O ATOM 559 CB ALA A 36 4.501 -1.327 2.929 1.00 43.34 C ATOM 0 H ALA A 36 6.522 -2.465 2.130 1.00 60.31 H new ATOM 0 HA ALA A 36 5.921 -0.835 4.401 1.00 2.22 H new ATOM 0 HB1 ALA A 36 3.660 -0.952 3.512 1.00 43.34 H new ATOM 0 HB2 ALA A 36 4.848 -0.548 2.250 1.00 43.34 H new ATOM 0 HB3 ALA A 36 4.184 -2.196 2.352 1.00 43.34 H new ATOM 565 N VAL A 37 5.121 -4.022 4.303 1.00 61.10 N ATOM 566 CA VAL A 37 4.771 -5.149 5.133 1.00 55.04 C ATOM 567 C VAL A 37 5.796 -5.254 6.224 1.00 1.25 C ATOM 568 O VAL A 37 5.459 -5.404 7.343 1.00 43.12 O ATOM 569 CB VAL A 37 4.677 -6.500 4.354 1.00 24.42 C ATOM 570 CG1 VAL A 37 4.386 -7.656 5.328 1.00 33.40 C ATOM 571 CG2 VAL A 37 3.571 -6.419 3.296 1.00 44.13 C ATOM 0 H VAL A 37 5.373 -4.264 3.345 1.00 61.10 H new ATOM 0 HA VAL A 37 3.773 -4.972 5.533 1.00 55.04 H new ATOM 0 HB VAL A 37 5.630 -6.687 3.860 1.00 24.42 H new ATOM 0 HG11 VAL A 37 4.323 -8.592 4.773 1.00 33.40 H new ATOM 0 HG12 VAL A 37 5.188 -7.723 6.063 1.00 33.40 H new ATOM 0 HG13 VAL A 37 3.441 -7.472 5.839 1.00 33.40 H new ATOM 0 HG21 VAL A 37 3.512 -7.365 2.758 1.00 44.13 H new ATOM 0 HG22 VAL A 37 2.616 -6.218 3.782 1.00 44.13 H new ATOM 0 HG23 VAL A 37 3.797 -5.616 2.595 1.00 44.13 H new ATOM 581 N ASP A 38 7.048 -5.101 5.859 1.00 10.50 N ATOM 582 CA ASP A 38 8.165 -5.096 6.810 1.00 52.03 C ATOM 583 C ASP A 38 7.979 -4.038 7.888 1.00 55.31 C ATOM 584 O ASP A 38 8.289 -4.271 9.063 1.00 44.35 O ATOM 585 CB ASP A 38 9.487 -4.853 6.077 1.00 62.32 C ATOM 586 CG ASP A 38 10.654 -4.613 7.018 1.00 64.15 C ATOM 587 OD1 ASP A 38 11.227 -5.583 7.547 1.00 15.52 O ATOM 588 OD2 ASP A 38 11.014 -3.436 7.236 1.00 21.53 O ATOM 0 H ASP A 38 7.335 -4.975 4.888 1.00 10.50 H new ATOM 0 HA ASP A 38 8.188 -6.074 7.291 1.00 52.03 H new ATOM 0 HB2 ASP A 38 9.709 -5.713 5.445 1.00 62.32 H new ATOM 0 HB3 ASP A 38 9.377 -3.992 5.417 1.00 62.32 H new ATOM 593 N ALA A 39 7.431 -2.895 7.497 1.00 60.24 N ATOM 594 CA ALA A 39 7.251 -1.780 8.418 1.00 42.02 C ATOM 595 C ALA A 39 6.282 -2.097 9.574 1.00 2.55 C ATOM 596 O ALA A 39 6.388 -1.507 10.644 1.00 13.12 O ATOM 597 CB ALA A 39 6.800 -0.536 7.667 1.00 31.02 C ATOM 0 H ALA A 39 7.103 -2.715 6.548 1.00 60.24 H new ATOM 0 HA ALA A 39 8.224 -1.594 8.874 1.00 42.02 H new ATOM 0 HB1 ALA A 39 6.671 0.287 8.370 1.00 31.02 H new ATOM 0 HB2 ALA A 39 7.553 -0.265 6.926 1.00 31.02 H new ATOM 0 HB3 ALA A 39 5.853 -0.737 7.165 1.00 31.02 H new ATOM 603 N ALA A 40 5.336 -3.007 9.355 1.00 12.25 N ATOM 604 CA ALA A 40 4.357 -3.332 10.415 1.00 41.04 C ATOM 605 C ALA A 40 4.184 -4.847 10.649 1.00 51.24 C ATOM 606 O ALA A 40 3.633 -5.274 11.668 1.00 44.51 O ATOM 607 CB ALA A 40 3.017 -2.690 10.101 1.00 41.24 C ATOM 0 H ALA A 40 5.219 -3.525 8.484 1.00 12.25 H new ATOM 0 HA ALA A 40 4.757 -2.924 11.343 1.00 41.04 H new ATOM 0 HB1 ALA A 40 2.303 -2.935 10.887 1.00 41.24 H new ATOM 0 HB2 ALA A 40 3.136 -1.608 10.044 1.00 41.24 H new ATOM 0 HB3 ALA A 40 2.649 -3.065 9.146 1.00 41.24 H new ATOM 613 N GLY A 41 4.656 -5.632 9.731 1.00 74.20 N ATOM 614 CA GLY A 41 4.449 -7.062 9.759 1.00 14.35 C ATOM 615 C GLY A 41 3.035 -7.376 9.376 1.00 40.41 C ATOM 616 O GLY A 41 2.349 -8.157 10.039 1.00 73.34 O ATOM 0 H GLY A 41 5.200 -5.305 8.933 1.00 74.20 H new ATOM 0 HA2 GLY A 41 5.139 -7.552 9.073 1.00 14.35 H new ATOM 0 HA3 GLY A 41 4.661 -7.450 10.755 1.00 14.35 H new ATOM 620 N LEU A 42 2.605 -6.756 8.291 1.00 75.31 N ATOM 621 CA LEU A 42 1.259 -6.850 7.795 1.00 4.52 C ATOM 622 C LEU A 42 0.990 -8.301 7.377 1.00 21.40 C ATOM 623 O LEU A 42 1.785 -8.882 6.649 1.00 33.44 O ATOM 624 CB LEU A 42 1.142 -5.893 6.588 1.00 5.50 C ATOM 625 CG LEU A 42 -0.257 -5.442 6.146 1.00 40.43 C ATOM 626 CD1 LEU A 42 -1.140 -6.586 5.704 1.00 54.31 C ATOM 627 CD2 LEU A 42 -0.920 -4.640 7.238 1.00 42.12 C ATOM 0 H LEU A 42 3.205 -6.159 7.721 1.00 75.31 H new ATOM 0 HA LEU A 42 0.527 -6.571 8.553 1.00 4.52 H new ATOM 0 HB2 LEU A 42 1.722 -4.999 6.816 1.00 5.50 H new ATOM 0 HB3 LEU A 42 1.620 -6.375 5.735 1.00 5.50 H new ATOM 0 HG LEU A 42 -0.120 -4.809 5.269 1.00 40.43 H new ATOM 0 HD11 LEU A 42 -2.114 -6.199 5.405 1.00 54.31 H new ATOM 0 HD12 LEU A 42 -0.678 -7.097 4.860 1.00 54.31 H new ATOM 0 HD13 LEU A 42 -1.266 -7.288 6.528 1.00 54.31 H new ATOM 0 HD21 LEU A 42 -1.911 -4.327 6.909 1.00 42.12 H new ATOM 0 HD22 LEU A 42 -1.012 -5.253 8.135 1.00 42.12 H new ATOM 0 HD23 LEU A 42 -0.317 -3.760 7.460 1.00 42.12 H new ATOM 639 N HIS A 43 -0.117 -8.870 7.868 1.00 62.54 N ATOM 640 CA HIS A 43 -0.490 -10.289 7.602 1.00 71.43 C ATOM 641 C HIS A 43 -0.358 -10.669 6.127 1.00 23.22 C ATOM 642 O HIS A 43 0.440 -11.544 5.773 1.00 63.25 O ATOM 643 CB HIS A 43 -1.934 -10.599 8.059 1.00 50.41 C ATOM 644 CG HIS A 43 -2.193 -10.487 9.531 1.00 14.22 C ATOM 645 ND1 HIS A 43 -2.131 -11.552 10.397 1.00 42.01 N ATOM 646 CD2 HIS A 43 -2.549 -9.428 10.282 1.00 70.32 C ATOM 647 CE1 HIS A 43 -2.435 -11.150 11.609 1.00 42.40 C ATOM 648 NE2 HIS A 43 -2.690 -9.868 11.564 1.00 33.54 N ATOM 0 H HIS A 43 -0.785 -8.374 8.459 1.00 62.54 H new ATOM 0 HA HIS A 43 0.216 -10.883 8.182 1.00 71.43 H new ATOM 0 HB2 HIS A 43 -2.612 -9.923 7.538 1.00 50.41 H new ATOM 0 HB3 HIS A 43 -2.186 -11.611 7.741 1.00 50.41 H new ATOM 0 HD2 HIS A 43 -2.696 -8.417 9.933 1.00 70.32 H new ATOM 0 HE1 HIS A 43 -2.469 -11.771 12.492 1.00 42.40 H new ATOM 0 HE2 HIS A 43 -2.953 -9.289 12.362 1.00 33.54 H new ATOM 657 N SER A 44 -1.117 -10.003 5.292 1.00 64.43 N ATOM 658 CA SER A 44 -1.153 -10.241 3.868 1.00 11.33 C ATOM 659 C SER A 44 -2.116 -9.256 3.242 1.00 75.52 C ATOM 660 O SER A 44 -2.929 -8.641 3.954 1.00 12.22 O ATOM 661 CB SER A 44 -1.573 -11.698 3.562 1.00 43.31 C ATOM 662 OG SER A 44 -2.776 -12.053 4.242 1.00 54.12 O ATOM 0 H SER A 44 -1.746 -9.258 5.592 1.00 64.43 H new ATOM 0 HA SER A 44 -0.158 -10.099 3.446 1.00 11.33 H new ATOM 0 HB2 SER A 44 -1.713 -11.819 2.488 1.00 43.31 H new ATOM 0 HB3 SER A 44 -0.773 -12.377 3.858 1.00 43.31 H new ATOM 0 HG SER A 44 -3.013 -12.979 4.025 1.00 54.12 H new ATOM 668 N LEU A 45 -2.031 -9.085 1.957 1.00 34.12 N ATOM 669 CA LEU A 45 -2.896 -8.173 1.269 1.00 55.42 C ATOM 670 C LEU A 45 -3.638 -8.908 0.197 1.00 24.44 C ATOM 671 O LEU A 45 -3.131 -9.880 -0.364 1.00 73.30 O ATOM 672 CB LEU A 45 -2.097 -7.036 0.643 1.00 62.32 C ATOM 673 CG LEU A 45 -1.297 -6.156 1.600 1.00 20.23 C ATOM 674 CD1 LEU A 45 -0.442 -5.182 0.818 1.00 54.13 C ATOM 675 CD2 LEU A 45 -2.234 -5.393 2.525 1.00 21.43 C ATOM 0 H LEU A 45 -1.364 -9.571 1.358 1.00 34.12 H new ATOM 0 HA LEU A 45 -3.598 -7.749 1.987 1.00 55.42 H new ATOM 0 HB2 LEU A 45 -1.407 -7.464 -0.084 1.00 62.32 H new ATOM 0 HB3 LEU A 45 -2.787 -6.399 0.090 1.00 62.32 H new ATOM 0 HG LEU A 45 -0.651 -6.795 2.202 1.00 20.23 H new ATOM 0 HD11 LEU A 45 0.125 -4.559 1.510 1.00 54.13 H new ATOM 0 HD12 LEU A 45 0.247 -5.734 0.179 1.00 54.13 H new ATOM 0 HD13 LEU A 45 -1.081 -4.550 0.201 1.00 54.13 H new ATOM 0 HD21 LEU A 45 -1.649 -4.770 3.202 1.00 21.43 H new ATOM 0 HD22 LEU A 45 -2.897 -4.762 1.932 1.00 21.43 H new ATOM 0 HD23 LEU A 45 -2.828 -6.100 3.105 1.00 21.43 H new ATOM 687 N GLU A 46 -4.813 -8.453 -0.075 1.00 40.04 N ATOM 688 CA GLU A 46 -5.647 -9.015 -1.088 1.00 24.41 C ATOM 689 C GLU A 46 -6.592 -7.943 -1.566 1.00 10.10 C ATOM 690 O GLU A 46 -6.941 -7.028 -0.792 1.00 1.24 O ATOM 691 CB GLU A 46 -6.421 -10.232 -0.557 1.00 23.33 C ATOM 692 CG GLU A 46 -7.310 -9.928 0.629 1.00 62.04 C ATOM 693 CD GLU A 46 -8.071 -11.124 1.109 1.00 55.50 C ATOM 694 OE1 GLU A 46 -9.117 -11.449 0.510 1.00 74.10 O ATOM 695 OE2 GLU A 46 -7.651 -11.754 2.099 1.00 33.34 O ATOM 0 H GLU A 46 -5.233 -7.661 0.411 1.00 40.04 H new ATOM 0 HA GLU A 46 -5.033 -9.367 -1.917 1.00 24.41 H new ATOM 0 HB2 GLU A 46 -7.033 -10.639 -1.362 1.00 23.33 H new ATOM 0 HB3 GLU A 46 -5.709 -11.007 -0.275 1.00 23.33 H new ATOM 0 HG2 GLU A 46 -6.699 -9.541 1.445 1.00 62.04 H new ATOM 0 HG3 GLU A 46 -8.014 -9.141 0.357 1.00 62.04 H new ATOM 702 N GLU A 47 -6.976 -8.016 -2.817 1.00 41.01 N ATOM 703 CA GLU A 47 -7.858 -7.091 -3.409 1.00 72.30 C ATOM 704 C GLU A 47 -9.177 -7.125 -2.646 1.00 72.00 C ATOM 705 O GLU A 47 -9.786 -8.186 -2.460 1.00 52.41 O ATOM 706 CB GLU A 47 -8.022 -7.520 -4.844 1.00 55.35 C ATOM 707 CG GLU A 47 -8.652 -6.533 -5.775 1.00 24.35 C ATOM 708 CD GLU A 47 -10.130 -6.305 -5.576 1.00 0.43 C ATOM 709 OE1 GLU A 47 -10.942 -7.116 -6.085 1.00 1.23 O ATOM 710 OE2 GLU A 47 -10.504 -5.336 -4.912 1.00 51.42 O ATOM 0 H GLU A 47 -6.664 -8.749 -3.454 1.00 41.01 H new ATOM 0 HA GLU A 47 -7.488 -6.066 -3.375 1.00 72.30 H new ATOM 0 HB2 GLU A 47 -7.038 -7.777 -5.236 1.00 55.35 H new ATOM 0 HB3 GLU A 47 -8.620 -8.431 -4.860 1.00 55.35 H new ATOM 0 HG2 GLU A 47 -8.137 -5.578 -5.667 1.00 24.35 H new ATOM 0 HG3 GLU A 47 -8.489 -6.870 -6.799 1.00 24.35 H new ATOM 717 N GLY A 48 -9.600 -5.987 -2.215 1.00 75.34 N ATOM 718 CA GLY A 48 -10.806 -5.893 -1.421 1.00 63.53 C ATOM 719 C GLY A 48 -10.545 -5.496 0.022 1.00 41.14 C ATOM 720 O GLY A 48 -11.463 -5.141 0.747 1.00 43.33 O ATOM 0 H GLY A 48 -9.136 -5.096 -2.393 1.00 75.34 H new ATOM 0 HA2 GLY A 48 -11.476 -5.164 -1.876 1.00 63.53 H new ATOM 0 HA3 GLY A 48 -11.321 -6.854 -1.439 1.00 63.53 H new ATOM 724 N GLN A 49 -9.310 -5.583 0.449 1.00 71.25 N ATOM 725 CA GLN A 49 -8.937 -5.166 1.791 1.00 50.10 C ATOM 726 C GLN A 49 -8.744 -3.678 1.863 1.00 73.23 C ATOM 727 O GLN A 49 -8.048 -3.104 1.035 1.00 11.23 O ATOM 728 CB GLN A 49 -7.652 -5.871 2.237 1.00 74.21 C ATOM 729 CG GLN A 49 -7.839 -7.287 2.754 1.00 44.25 C ATOM 730 CD GLN A 49 -8.286 -7.380 4.221 1.00 42.11 C ATOM 731 OE1 GLN A 49 -7.977 -8.351 4.911 1.00 4.41 O ATOM 732 NE2 GLN A 49 -8.977 -6.390 4.715 1.00 64.53 N ATOM 0 H GLN A 49 -8.537 -5.940 -0.112 1.00 71.25 H new ATOM 0 HA GLN A 49 -9.751 -5.445 2.460 1.00 50.10 H new ATOM 0 HB2 GLN A 49 -6.960 -5.897 1.396 1.00 74.21 H new ATOM 0 HB3 GLN A 49 -7.182 -5.275 3.019 1.00 74.21 H new ATOM 0 HG2 GLN A 49 -8.577 -7.793 2.131 1.00 44.25 H new ATOM 0 HG3 GLN A 49 -6.900 -7.828 2.639 1.00 44.25 H new ATOM 0 HE21 GLN A 49 -9.222 -5.595 4.125 1.00 64.53 H new ATOM 0 HE22 GLN A 49 -9.272 -6.411 5.691 1.00 64.53 H new ATOM 741 N ASP A 50 -9.368 -3.058 2.835 1.00 10.45 N ATOM 742 CA ASP A 50 -9.138 -1.654 3.083 1.00 12.53 C ATOM 743 C ASP A 50 -7.933 -1.552 3.947 1.00 61.32 C ATOM 744 O ASP A 50 -7.820 -2.261 4.961 1.00 22.33 O ATOM 745 CB ASP A 50 -10.328 -0.959 3.761 1.00 25.21 C ATOM 746 CG ASP A 50 -11.551 -0.818 2.888 1.00 5.33 C ATOM 747 OD1 ASP A 50 -12.415 -1.722 2.906 1.00 12.11 O ATOM 748 OD2 ASP A 50 -11.688 0.218 2.203 1.00 71.33 O ATOM 0 H ASP A 50 -10.037 -3.501 3.465 1.00 10.45 H new ATOM 0 HA ASP A 50 -9.000 -1.148 2.128 1.00 12.53 H new ATOM 0 HB2 ASP A 50 -10.598 -1.520 4.656 1.00 25.21 H new ATOM 0 HB3 ASP A 50 -10.015 0.032 4.089 1.00 25.21 H new ATOM 753 N VAL A 51 -7.038 -0.725 3.578 1.00 64.54 N ATOM 754 CA VAL A 51 -5.820 -0.622 4.276 1.00 15.42 C ATOM 755 C VAL A 51 -5.454 0.831 4.500 1.00 1.44 C ATOM 756 O VAL A 51 -5.763 1.710 3.696 1.00 24.00 O ATOM 757 CB VAL A 51 -4.696 -1.405 3.544 1.00 53.01 C ATOM 758 CG1 VAL A 51 -4.397 -0.833 2.173 1.00 2.53 C ATOM 759 CG2 VAL A 51 -3.447 -1.526 4.384 1.00 72.21 C ATOM 0 H VAL A 51 -7.128 -0.097 2.780 1.00 64.54 H new ATOM 0 HA VAL A 51 -5.940 -1.080 5.258 1.00 15.42 H new ATOM 0 HB VAL A 51 -5.075 -2.415 3.389 1.00 53.01 H new ATOM 0 HG11 VAL A 51 -3.605 -1.414 1.701 1.00 2.53 H new ATOM 0 HG12 VAL A 51 -5.295 -0.877 1.557 1.00 2.53 H new ATOM 0 HG13 VAL A 51 -4.076 0.204 2.273 1.00 2.53 H new ATOM 0 HG21 VAL A 51 -2.689 -2.081 3.831 1.00 72.21 H new ATOM 0 HG22 VAL A 51 -3.069 -0.531 4.619 1.00 72.21 H new ATOM 0 HG23 VAL A 51 -3.680 -2.054 5.309 1.00 72.21 H new ATOM 769 N ILE A 52 -4.848 1.063 5.596 1.00 21.42 N ATOM 770 CA ILE A 52 -4.450 2.367 6.004 1.00 62.31 C ATOM 771 C ILE A 52 -2.942 2.390 6.003 1.00 12.40 C ATOM 772 O ILE A 52 -2.318 1.463 6.508 1.00 25.24 O ATOM 773 CB ILE A 52 -5.008 2.655 7.421 1.00 25.33 C ATOM 774 CG1 ILE A 52 -6.539 2.474 7.407 1.00 5.44 C ATOM 775 CG2 ILE A 52 -4.640 4.067 7.867 1.00 54.24 C ATOM 776 CD1 ILE A 52 -7.197 2.560 8.761 1.00 10.12 C ATOM 0 H ILE A 52 -4.602 0.332 6.264 1.00 21.42 H new ATOM 0 HA ILE A 52 -4.836 3.134 5.332 1.00 62.31 H new ATOM 0 HB ILE A 52 -4.567 1.955 8.131 1.00 25.33 H new ATOM 0 HG12 ILE A 52 -6.975 3.233 6.758 1.00 5.44 H new ATOM 0 HG13 ILE A 52 -6.772 1.505 6.966 1.00 5.44 H new ATOM 0 HG21 ILE A 52 -5.041 4.250 8.864 1.00 54.24 H new ATOM 0 HG22 ILE A 52 -3.555 4.171 7.887 1.00 54.24 H new ATOM 0 HG23 ILE A 52 -5.061 4.790 7.169 1.00 54.24 H new ATOM 0 HD11 ILE A 52 -8.273 2.421 8.652 1.00 10.12 H new ATOM 0 HD12 ILE A 52 -6.795 1.783 9.411 1.00 10.12 H new ATOM 0 HD13 ILE A 52 -7.000 3.538 9.200 1.00 10.12 H new ATOM 788 N PHE A 53 -2.353 3.403 5.426 1.00 41.42 N ATOM 789 CA PHE A 53 -0.916 3.443 5.295 1.00 4.45 C ATOM 790 C PHE A 53 -0.413 4.842 5.370 1.00 3.32 C ATOM 791 O PHE A 53 -1.183 5.784 5.575 1.00 14.44 O ATOM 792 CB PHE A 53 -0.483 2.820 3.952 1.00 61.00 C ATOM 793 CG PHE A 53 -1.121 3.434 2.725 1.00 61.13 C ATOM 794 CD1 PHE A 53 -2.383 3.040 2.312 1.00 23.23 C ATOM 795 CD2 PHE A 53 -0.452 4.391 1.980 1.00 21.41 C ATOM 796 CE1 PHE A 53 -2.960 3.585 1.193 1.00 32.22 C ATOM 797 CE2 PHE A 53 -1.023 4.935 0.854 1.00 24.44 C ATOM 798 CZ PHE A 53 -2.281 4.529 0.459 1.00 52.12 C ATOM 0 H PHE A 53 -2.842 4.211 5.039 1.00 41.42 H new ATOM 0 HA PHE A 53 -0.491 2.869 6.118 1.00 4.45 H new ATOM 0 HB2 PHE A 53 0.600 2.906 3.861 1.00 61.00 H new ATOM 0 HB3 PHE A 53 -0.717 1.756 3.970 1.00 61.00 H new ATOM 0 HD1 PHE A 53 -2.920 2.294 2.879 1.00 23.23 H new ATOM 0 HD2 PHE A 53 0.531 4.714 2.288 1.00 21.41 H new ATOM 0 HE1 PHE A 53 -3.948 3.273 0.888 1.00 32.22 H new ATOM 0 HE2 PHE A 53 -0.489 5.678 0.280 1.00 24.44 H new ATOM 0 HZ PHE A 53 -2.732 4.952 -0.426 1.00 52.12 H new ATOM 808 N ASP A 54 0.862 4.988 5.202 1.00 62.20 N ATOM 809 CA ASP A 54 1.458 6.265 5.139 1.00 55.40 C ATOM 810 C ASP A 54 2.185 6.306 3.841 1.00 22.15 C ATOM 811 O ASP A 54 2.623 5.262 3.342 1.00 73.45 O ATOM 812 CB ASP A 54 2.415 6.523 6.313 1.00 11.21 C ATOM 813 CG ASP A 54 1.752 6.389 7.678 1.00 64.41 C ATOM 814 OD1 ASP A 54 0.794 7.142 7.990 1.00 14.15 O ATOM 815 OD2 ASP A 54 2.161 5.512 8.451 1.00 63.53 O ATOM 0 H ASP A 54 1.517 4.212 5.105 1.00 62.20 H new ATOM 0 HA ASP A 54 0.700 7.046 5.209 1.00 55.40 H new ATOM 0 HB2 ASP A 54 3.249 5.823 6.252 1.00 11.21 H new ATOM 0 HB3 ASP A 54 2.833 7.525 6.218 1.00 11.21 H new ATOM 820 N LEU A 55 2.290 7.439 3.269 1.00 72.51 N ATOM 821 CA LEU A 55 2.915 7.549 2.004 1.00 22.23 C ATOM 822 C LEU A 55 4.167 8.332 2.085 1.00 3.13 C ATOM 823 O LEU A 55 4.185 9.505 2.483 1.00 13.21 O ATOM 824 CB LEU A 55 1.948 8.096 0.969 1.00 61.44 C ATOM 825 CG LEU A 55 2.483 8.441 -0.425 1.00 21.22 C ATOM 826 CD1 LEU A 55 3.305 7.314 -0.978 1.00 75.34 C ATOM 827 CD2 LEU A 55 1.314 8.718 -1.359 1.00 45.31 C ATOM 0 H LEU A 55 1.948 8.318 3.658 1.00 72.51 H new ATOM 0 HA LEU A 55 3.200 6.550 1.675 1.00 22.23 H new ATOM 0 HB2 LEU A 55 1.148 7.366 0.845 1.00 61.44 H new ATOM 0 HB3 LEU A 55 1.496 8.997 1.382 1.00 61.44 H new ATOM 0 HG LEU A 55 3.116 9.324 -0.344 1.00 21.22 H new ATOM 0 HD11 LEU A 55 3.673 7.584 -1.968 1.00 75.34 H new ATOM 0 HD12 LEU A 55 4.150 7.121 -0.317 1.00 75.34 H new ATOM 0 HD13 LEU A 55 2.690 6.417 -1.051 1.00 75.34 H new ATOM 0 HD21 LEU A 55 1.692 8.964 -2.352 1.00 45.31 H new ATOM 0 HD22 LEU A 55 0.680 7.833 -1.421 1.00 45.31 H new ATOM 0 HD23 LEU A 55 0.732 9.556 -0.975 1.00 45.31 H new ATOM 839 N GLU A 56 5.199 7.683 1.725 1.00 21.30 N ATOM 840 CA GLU A 56 6.497 8.243 1.688 1.00 25.51 C ATOM 841 C GLU A 56 7.059 8.019 0.315 1.00 12.02 C ATOM 842 O GLU A 56 6.587 7.142 -0.423 1.00 44.02 O ATOM 843 CB GLU A 56 7.385 7.663 2.791 1.00 20.10 C ATOM 844 CG GLU A 56 6.819 7.931 4.176 1.00 33.44 C ATOM 845 CD GLU A 56 7.727 7.537 5.302 1.00 21.14 C ATOM 846 OE1 GLU A 56 8.666 8.306 5.601 1.00 13.53 O ATOM 847 OE2 GLU A 56 7.481 6.497 5.947 1.00 0.41 O ATOM 0 H GLU A 56 5.168 6.706 1.435 1.00 21.30 H new ATOM 0 HA GLU A 56 6.454 9.315 1.883 1.00 25.51 H new ATOM 0 HB2 GLU A 56 7.491 6.588 2.644 1.00 20.10 H new ATOM 0 HB3 GLU A 56 8.383 8.094 2.717 1.00 20.10 H new ATOM 0 HG2 GLU A 56 6.592 8.993 4.263 1.00 33.44 H new ATOM 0 HG3 GLU A 56 5.876 7.394 4.280 1.00 33.44 H new ATOM 854 N GLU A 57 8.021 8.786 -0.048 1.00 31.42 N ATOM 855 CA GLU A 57 8.519 8.733 -1.379 1.00 53.22 C ATOM 856 C GLU A 57 9.709 7.812 -1.501 1.00 3.24 C ATOM 857 O GLU A 57 10.539 7.715 -0.598 1.00 54.34 O ATOM 858 CB GLU A 57 8.871 10.130 -1.867 1.00 43.03 C ATOM 859 CG GLU A 57 7.721 11.114 -1.770 1.00 12.32 C ATOM 860 CD GLU A 57 8.091 12.477 -2.269 1.00 70.22 C ATOM 861 OE1 GLU A 57 8.890 13.164 -1.613 1.00 5.54 O ATOM 862 OE2 GLU A 57 7.596 12.881 -3.344 1.00 72.33 O ATOM 0 H GLU A 57 8.484 9.463 0.559 1.00 31.42 H new ATOM 0 HA GLU A 57 7.729 8.325 -2.010 1.00 53.22 H new ATOM 0 HB2 GLU A 57 9.712 10.508 -1.285 1.00 43.03 H new ATOM 0 HB3 GLU A 57 9.202 10.071 -2.904 1.00 43.03 H new ATOM 0 HG2 GLU A 57 6.875 10.737 -2.345 1.00 12.32 H new ATOM 0 HG3 GLU A 57 7.395 11.186 -0.732 1.00 12.32 H new ATOM 869 N LYS A 58 9.761 7.131 -2.605 1.00 31.10 N ATOM 870 CA LYS A 58 10.860 6.283 -2.966 1.00 51.15 C ATOM 871 C LYS A 58 11.690 7.065 -3.951 1.00 43.54 C ATOM 872 O LYS A 58 11.501 6.944 -5.170 1.00 63.12 O ATOM 873 CB LYS A 58 10.346 4.986 -3.616 1.00 1.40 C ATOM 874 CG LYS A 58 11.432 4.028 -4.081 1.00 13.14 C ATOM 875 CD LYS A 58 10.839 2.865 -4.851 1.00 5.44 C ATOM 876 CE LYS A 58 11.919 1.929 -5.348 1.00 61.33 C ATOM 877 NZ LYS A 58 11.365 0.839 -6.178 1.00 61.34 N ATOM 0 H LYS A 58 9.017 7.150 -3.303 1.00 31.10 H new ATOM 0 HA LYS A 58 11.444 5.999 -2.090 1.00 51.15 H new ATOM 0 HB2 LYS A 58 9.706 4.468 -2.902 1.00 1.40 H new ATOM 0 HB3 LYS A 58 9.722 5.248 -4.471 1.00 1.40 H new ATOM 0 HG2 LYS A 58 12.145 4.560 -4.711 1.00 13.14 H new ATOM 0 HG3 LYS A 58 11.985 3.654 -3.219 1.00 13.14 H new ATOM 0 HD2 LYS A 58 10.146 2.318 -4.212 1.00 5.44 H new ATOM 0 HD3 LYS A 58 10.263 3.241 -5.696 1.00 5.44 H new ATOM 0 HE2 LYS A 58 12.649 2.493 -5.929 1.00 61.33 H new ATOM 0 HE3 LYS A 58 12.450 1.503 -4.497 1.00 61.33 H new ATOM 0 HZ1 LYS A 58 12.137 0.220 -6.499 1.00 61.34 H new ATOM 0 HZ2 LYS A 58 10.688 0.285 -5.616 1.00 61.34 H new ATOM 0 HZ3 LYS A 58 10.880 1.244 -7.004 1.00 61.34 H new ATOM 891 N GLN A 59 12.527 7.941 -3.414 1.00 50.33 N ATOM 892 CA GLN A 59 13.341 8.890 -4.174 1.00 74.12 C ATOM 893 C GLN A 59 12.435 9.934 -4.872 1.00 73.41 C ATOM 894 O GLN A 59 12.436 11.103 -4.509 1.00 43.15 O ATOM 895 CB GLN A 59 14.277 8.192 -5.179 1.00 3.04 C ATOM 896 CG GLN A 59 15.233 9.143 -5.884 1.00 53.43 C ATOM 897 CD GLN A 59 16.191 9.822 -4.922 1.00 23.34 C ATOM 898 OE1 GLN A 59 17.283 9.316 -4.657 1.00 75.04 O ATOM 899 NE2 GLN A 59 15.805 10.949 -4.397 1.00 71.52 N ATOM 0 H GLN A 59 12.666 8.016 -2.406 1.00 50.33 H new ATOM 0 HA GLN A 59 13.988 9.408 -3.466 1.00 74.12 H new ATOM 0 HB2 GLN A 59 14.855 7.431 -4.656 1.00 3.04 H new ATOM 0 HB3 GLN A 59 13.674 7.676 -5.926 1.00 3.04 H new ATOM 0 HG2 GLN A 59 15.804 8.592 -6.632 1.00 53.43 H new ATOM 0 HG3 GLN A 59 14.659 9.902 -6.416 1.00 53.43 H new ATOM 0 HE21 GLN A 59 14.894 11.339 -4.639 1.00 71.52 H new ATOM 0 HE22 GLN A 59 16.414 11.442 -3.744 1.00 71.52 H new ATOM 908 N GLY A 60 11.678 9.490 -5.856 1.00 72.41 N ATOM 909 CA GLY A 60 10.731 10.335 -6.543 1.00 55.34 C ATOM 910 C GLY A 60 9.422 9.605 -6.813 1.00 41.51 C ATOM 911 O GLY A 60 8.471 10.179 -7.352 1.00 22.14 O ATOM 0 H GLY A 60 11.705 8.530 -6.200 1.00 72.41 H new ATOM 0 HA2 GLY A 60 10.535 11.225 -5.945 1.00 55.34 H new ATOM 0 HA3 GLY A 60 11.161 10.673 -7.486 1.00 55.34 H new ATOM 915 N LYS A 61 9.371 8.345 -6.434 1.00 3.51 N ATOM 916 CA LYS A 61 8.195 7.522 -6.639 1.00 25.13 C ATOM 917 C LYS A 61 7.365 7.506 -5.357 1.00 44.34 C ATOM 918 O LYS A 61 7.852 7.881 -4.307 1.00 72.54 O ATOM 919 CB LYS A 61 8.609 6.092 -7.023 1.00 64.21 C ATOM 920 CG LYS A 61 9.524 5.996 -8.250 1.00 42.05 C ATOM 921 CD LYS A 61 8.871 6.531 -9.523 1.00 63.30 C ATOM 922 CE LYS A 61 7.654 5.710 -9.938 1.00 43.21 C ATOM 923 NZ LYS A 61 7.047 6.225 -11.181 1.00 24.00 N ATOM 0 H LYS A 61 10.143 7.862 -5.975 1.00 3.51 H new ATOM 0 HA LYS A 61 7.598 7.937 -7.451 1.00 25.13 H new ATOM 0 HB2 LYS A 61 9.115 5.634 -6.173 1.00 64.21 H new ATOM 0 HB3 LYS A 61 7.709 5.506 -7.211 1.00 64.21 H new ATOM 0 HG2 LYS A 61 10.441 6.552 -8.057 1.00 42.05 H new ATOM 0 HG3 LYS A 61 9.809 4.955 -8.404 1.00 42.05 H new ATOM 0 HD2 LYS A 61 8.571 7.567 -9.367 1.00 63.30 H new ATOM 0 HD3 LYS A 61 9.601 6.529 -10.332 1.00 63.30 H new ATOM 0 HE2 LYS A 61 7.948 4.670 -10.080 1.00 43.21 H new ATOM 0 HE3 LYS A 61 6.914 5.726 -9.138 1.00 43.21 H new ATOM 0 HZ1 LYS A 61 6.223 5.642 -11.432 1.00 24.00 H new ATOM 0 HZ2 LYS A 61 6.744 7.210 -11.037 1.00 24.00 H new ATOM 0 HZ3 LYS A 61 7.746 6.186 -11.950 1.00 24.00 H new ATOM 937 N ALA A 62 6.144 7.069 -5.441 1.00 21.44 N ATOM 938 CA ALA A 62 5.254 7.061 -4.290 1.00 61.03 C ATOM 939 C ALA A 62 4.874 5.633 -3.932 1.00 45.44 C ATOM 940 O ALA A 62 4.226 4.940 -4.735 1.00 40.20 O ATOM 941 CB ALA A 62 4.001 7.880 -4.606 1.00 62.43 C ATOM 0 H ALA A 62 5.727 6.707 -6.299 1.00 21.44 H new ATOM 0 HA ALA A 62 5.766 7.507 -3.437 1.00 61.03 H new ATOM 0 HB1 ALA A 62 3.335 7.873 -3.743 1.00 62.43 H new ATOM 0 HB2 ALA A 62 4.286 8.907 -4.837 1.00 62.43 H new ATOM 0 HB3 ALA A 62 3.488 7.444 -5.464 1.00 62.43 H new ATOM 947 N TYR A 63 5.264 5.183 -2.747 1.00 33.41 N ATOM 948 CA TYR A 63 4.935 3.838 -2.315 1.00 4.52 C ATOM 949 C TYR A 63 4.326 3.831 -0.926 1.00 15.20 C ATOM 950 O TYR A 63 4.725 4.601 -0.040 1.00 14.33 O ATOM 951 CB TYR A 63 6.138 2.871 -2.393 1.00 15.24 C ATOM 952 CG TYR A 63 7.295 3.104 -1.429 1.00 61.34 C ATOM 953 CD1 TYR A 63 7.881 4.348 -1.271 1.00 73.42 C ATOM 954 CD2 TYR A 63 7.792 2.050 -0.672 1.00 62.02 C ATOM 955 CE1 TYR A 63 8.925 4.538 -0.388 1.00 22.42 C ATOM 956 CE2 TYR A 63 8.835 2.234 0.211 1.00 52.22 C ATOM 957 CZ TYR A 63 9.397 3.480 0.348 1.00 53.02 C ATOM 958 OH TYR A 63 10.436 3.670 1.227 1.00 2.42 O ATOM 0 H TYR A 63 5.804 5.727 -2.075 1.00 33.41 H new ATOM 0 HA TYR A 63 4.187 3.470 -3.018 1.00 4.52 H new ATOM 0 HB2 TYR A 63 5.766 1.859 -2.233 1.00 15.24 H new ATOM 0 HB3 TYR A 63 6.534 2.908 -3.408 1.00 15.24 H new ATOM 0 HD1 TYR A 63 7.515 5.184 -1.848 1.00 73.42 H new ATOM 0 HD2 TYR A 63 7.353 1.069 -0.777 1.00 62.02 H new ATOM 0 HE1 TYR A 63 9.369 5.516 -0.277 1.00 22.42 H new ATOM 0 HE2 TYR A 63 9.208 1.403 0.792 1.00 52.22 H new ATOM 0 HH TYR A 63 10.649 2.822 1.670 1.00 2.42 H new ATOM 968 N ALA A 64 3.350 2.989 -0.769 1.00 33.14 N ATOM 969 CA ALA A 64 2.643 2.818 0.474 1.00 22.31 C ATOM 970 C ALA A 64 3.529 2.109 1.452 1.00 33.40 C ATOM 971 O ALA A 64 4.176 1.111 1.110 1.00 62.40 O ATOM 972 CB ALA A 64 1.375 2.015 0.233 1.00 13.43 C ATOM 0 H ALA A 64 3.011 2.385 -1.517 1.00 33.14 H new ATOM 0 HA ALA A 64 2.369 3.792 0.881 1.00 22.31 H new ATOM 0 HB1 ALA A 64 0.841 1.887 1.175 1.00 13.43 H new ATOM 0 HB2 ALA A 64 0.738 2.544 -0.476 1.00 13.43 H new ATOM 0 HB3 ALA A 64 1.635 1.037 -0.173 1.00 13.43 H new ATOM 978 N VAL A 65 3.574 2.623 2.650 1.00 34.41 N ATOM 979 CA VAL A 65 4.381 2.063 3.705 1.00 21.44 C ATOM 980 C VAL A 65 3.609 2.079 4.983 1.00 43.24 C ATOM 981 O VAL A 65 2.614 2.802 5.092 1.00 2.32 O ATOM 982 CB VAL A 65 5.733 2.825 3.930 1.00 4.34 C ATOM 983 CG1 VAL A 65 6.621 2.752 2.715 1.00 73.22 C ATOM 984 CG2 VAL A 65 5.500 4.276 4.326 1.00 71.33 C ATOM 0 H VAL A 65 3.047 3.451 2.927 1.00 34.41 H new ATOM 0 HA VAL A 65 4.628 1.047 3.398 1.00 21.44 H new ATOM 0 HB VAL A 65 6.242 2.325 4.754 1.00 4.34 H new ATOM 0 HG11 VAL A 65 7.548 3.291 2.909 1.00 73.22 H new ATOM 0 HG12 VAL A 65 6.848 1.709 2.492 1.00 73.22 H new ATOM 0 HG13 VAL A 65 6.111 3.202 1.864 1.00 73.22 H new ATOM 0 HG21 VAL A 65 6.460 4.772 4.473 1.00 71.33 H new ATOM 0 HG22 VAL A 65 4.947 4.784 3.536 1.00 71.33 H new ATOM 0 HG23 VAL A 65 4.927 4.313 5.252 1.00 71.33 H new ATOM 994 N ASN A 66 4.057 1.268 5.938 1.00 34.25 N ATOM 995 CA ASN A 66 3.480 1.225 7.284 1.00 65.50 C ATOM 996 C ASN A 66 2.009 0.841 7.189 1.00 64.25 C ATOM 997 O ASN A 66 1.134 1.628 7.497 1.00 24.24 O ATOM 998 CB ASN A 66 3.630 2.599 7.961 1.00 71.52 C ATOM 999 CG ASN A 66 3.463 2.558 9.469 1.00 73.14 C ATOM 1000 OD1 ASN A 66 2.732 1.738 10.009 1.00 44.21 O ATOM 1001 ND2 ASN A 66 4.148 3.437 10.153 1.00 11.53 N ATOM 0 H ASN A 66 4.832 0.619 5.802 1.00 34.25 H new ATOM 0 HA ASN A 66 4.006 0.482 7.884 1.00 65.50 H new ATOM 0 HB2 ASN A 66 4.613 3.005 7.724 1.00 71.52 H new ATOM 0 HB3 ASN A 66 2.893 3.283 7.541 1.00 71.52 H new ATOM 0 HD21 ASN A 66 4.083 3.454 11.171 1.00 11.53 H new ATOM 0 HD22 ASN A 66 4.747 4.105 9.669 1.00 11.53 H new ATOM 1008 N LEU A 67 1.743 -0.340 6.709 1.00 44.12 N ATOM 1009 CA LEU A 67 0.377 -0.723 6.461 1.00 5.24 C ATOM 1010 C LEU A 67 -0.348 -1.172 7.722 1.00 12.31 C ATOM 1011 O LEU A 67 0.230 -1.797 8.600 1.00 25.52 O ATOM 1012 CB LEU A 67 0.275 -1.830 5.429 1.00 11.22 C ATOM 1013 CG LEU A 67 0.911 -1.621 4.059 1.00 13.33 C ATOM 1014 CD1 LEU A 67 0.467 -2.711 3.176 1.00 64.55 C ATOM 1015 CD2 LEU A 67 0.554 -0.292 3.452 1.00 54.13 C ATOM 0 H LEU A 67 2.441 -1.048 6.483 1.00 44.12 H new ATOM 0 HA LEU A 67 -0.104 0.178 6.081 1.00 5.24 H new ATOM 0 HB2 LEU A 67 0.716 -2.727 5.864 1.00 11.22 H new ATOM 0 HB3 LEU A 67 -0.783 -2.038 5.273 1.00 11.22 H new ATOM 0 HG LEU A 67 1.994 -1.628 4.178 1.00 13.33 H new ATOM 0 HD11 LEU A 67 0.910 -2.583 2.188 1.00 64.55 H new ATOM 0 HD12 LEU A 67 0.781 -3.668 3.593 1.00 64.55 H new ATOM 0 HD13 LEU A 67 -0.620 -2.691 3.092 1.00 64.55 H new ATOM 0 HD21 LEU A 67 1.034 -0.196 2.478 1.00 54.13 H new ATOM 0 HD22 LEU A 67 -0.527 -0.225 3.332 1.00 54.13 H new ATOM 0 HD23 LEU A 67 0.897 0.510 4.105 1.00 54.13 H new ATOM 1027 N ARG A 68 -1.603 -0.830 7.783 1.00 51.42 N ATOM 1028 CA ARG A 68 -2.517 -1.235 8.801 1.00 3.23 C ATOM 1029 C ARG A 68 -3.791 -1.675 8.132 1.00 42.44 C ATOM 1030 O ARG A 68 -4.281 -0.973 7.268 1.00 40.11 O ATOM 1031 CB ARG A 68 -2.869 -0.076 9.735 1.00 41.22 C ATOM 1032 CG ARG A 68 -1.814 0.355 10.733 1.00 1.32 C ATOM 1033 CD ARG A 68 -0.851 1.365 10.147 1.00 63.14 C ATOM 1034 NE ARG A 68 -1.490 2.689 9.950 1.00 21.23 N ATOM 1035 CZ ARG A 68 -0.849 3.782 9.511 1.00 2.22 C ATOM 1036 NH1 ARG A 68 0.392 3.686 9.108 1.00 52.30 N ATOM 1037 NH2 ARG A 68 -1.469 4.962 9.462 1.00 25.31 N ATOM 0 H ARG A 68 -2.035 -0.228 7.083 1.00 51.42 H new ATOM 0 HA ARG A 68 -2.053 -2.031 9.383 1.00 3.23 H new ATOM 0 HB2 ARG A 68 -3.125 0.787 9.120 1.00 41.22 H new ATOM 0 HB3 ARG A 68 -3.767 -0.350 10.290 1.00 41.22 H new ATOM 0 HG2 ARG A 68 -2.299 0.784 11.609 1.00 1.32 H new ATOM 0 HG3 ARG A 68 -1.259 -0.519 11.072 1.00 1.32 H new ATOM 0 HD2 ARG A 68 0.009 1.472 10.808 1.00 63.14 H new ATOM 0 HD3 ARG A 68 -0.476 0.997 9.192 1.00 63.14 H new ATOM 0 HE ARG A 68 -2.484 2.774 10.163 1.00 21.23 H new ATOM 0 HH11 ARG A 68 0.867 2.783 9.129 1.00 52.30 H new ATOM 0 HH12 ARG A 68 0.885 4.514 8.773 1.00 52.30 H new ATOM 0 HH21 ARG A 68 -2.441 5.040 9.760 1.00 25.31 H new ATOM 0 HH22 ARG A 68 -0.971 5.786 9.126 1.00 25.31 H new ATOM 1051 N ILE A 69 -4.350 -2.800 8.510 1.00 2.41 N ATOM 1052 CA ILE A 69 -5.586 -3.213 7.871 1.00 14.20 C ATOM 1053 C ILE A 69 -6.707 -2.468 8.560 1.00 33.21 C ATOM 1054 O ILE A 69 -6.646 -2.253 9.771 1.00 3.32 O ATOM 1055 CB ILE A 69 -5.927 -4.764 7.956 1.00 42.45 C ATOM 1056 CG1 ILE A 69 -4.745 -5.691 7.618 1.00 70.04 C ATOM 1057 CG2 ILE A 69 -7.094 -5.096 7.043 1.00 75.25 C ATOM 1058 CD1 ILE A 69 -3.710 -5.826 8.717 1.00 51.23 C ATOM 0 H ILE A 69 -3.990 -3.428 9.228 1.00 2.41 H new ATOM 0 HA ILE A 69 -5.470 -2.992 6.810 1.00 14.20 H new ATOM 0 HB ILE A 69 -6.182 -4.949 9.000 1.00 42.45 H new ATOM 0 HG12 ILE A 69 -5.134 -6.681 7.381 1.00 70.04 H new ATOM 0 HG13 ILE A 69 -4.254 -5.318 6.719 1.00 70.04 H new ATOM 0 HG21 ILE A 69 -7.317 -6.161 7.110 1.00 75.25 H new ATOM 0 HG22 ILE A 69 -7.969 -4.522 7.347 1.00 75.25 H new ATOM 0 HG23 ILE A 69 -6.835 -4.844 6.015 1.00 75.25 H new ATOM 0 HD11 ILE A 69 -2.916 -6.497 8.389 1.00 51.23 H new ATOM 0 HD12 ILE A 69 -3.287 -4.847 8.941 1.00 51.23 H new ATOM 0 HD13 ILE A 69 -4.181 -6.231 9.613 1.00 51.23 H new ATOM 1070 N LYS A 70 -7.674 -2.025 7.808 1.00 52.15 N ATOM 1071 CA LYS A 70 -8.837 -1.409 8.379 1.00 23.22 C ATOM 1072 C LYS A 70 -9.584 -2.458 9.203 1.00 12.14 C ATOM 1073 O LYS A 70 -10.286 -3.309 8.598 1.00 37.44 O ATOM 1074 CB LYS A 70 -9.750 -0.858 7.295 1.00 4.45 C ATOM 1075 CG LYS A 70 -10.936 -0.121 7.853 1.00 4.45 C ATOM 1076 CD LYS A 70 -11.869 0.351 6.764 1.00 74.12 C ATOM 1077 CE LYS A 70 -13.069 1.051 7.357 1.00 51.00 C ATOM 1078 NZ LYS A 70 -14.029 1.474 6.324 1.00 2.14 N ATOM 1079 OXT LYS A 70 -9.454 -2.456 10.442 1.00 37.44 O ATOM 0 H LYS A 70 -7.679 -2.080 6.789 1.00 52.15 H new ATOM 0 HA LYS A 70 -8.529 -0.576 9.011 1.00 23.22 H new ATOM 0 HB2 LYS A 70 -9.180 -0.187 6.652 1.00 4.45 H new ATOM 0 HB3 LYS A 70 -10.099 -1.679 6.669 1.00 4.45 H new ATOM 0 HG2 LYS A 70 -11.478 -0.772 8.539 1.00 4.45 H new ATOM 0 HG3 LYS A 70 -10.591 0.736 8.432 1.00 4.45 H new ATOM 0 HD2 LYS A 70 -11.341 1.029 6.094 1.00 74.12 H new ATOM 0 HD3 LYS A 70 -12.196 -0.499 6.165 1.00 74.12 H new ATOM 0 HE2 LYS A 70 -13.566 0.384 8.062 1.00 51.00 H new ATOM 0 HE3 LYS A 70 -12.738 1.922 7.922 1.00 51.00 H new ATOM 0 HZ1 LYS A 70 -14.837 1.950 6.775 1.00 2.14 H new ATOM 0 HZ2 LYS A 70 -13.564 2.131 5.666 1.00 2.14 H new ATOM 0 HZ3 LYS A 70 -14.366 0.641 5.801 1.00 2.14 H new