USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 633 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 39 ASN : amide:sc= 1.01 K(o=2.2,f=-8!) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 168:sc= 1.14 (180deg=-0.258) USER MOD Set 2.1: A 32 TYR OH : rot -37:sc= 0.461 USER MOD Set 2.2: A 73 SER OG : rot 76:sc= 1.33 USER MOD Set 3.1: A 7 ASN : amide:sc= 0.209 K(o=-0.68,f=-9.5!) USER MOD Set 3.2: A 10 LYS NZ :NH3+ 178:sc= -0.893 (180deg=-1.68) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 152:sc= 0.807 (180deg=0.376) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -1.57! K(o=-1.6!,f=-0.025) USER MOD Single : A 23 GLN : amide:sc= -0.375 K(o=-0.38,f=-3.7!) USER MOD Single : A 27 MET CE :methyl 173:sc= -0.161 (180deg=-0.296) USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 38 LYS NZ :NH3+ -170:sc= 0.548 (180deg=0.492) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl -173:sc= -0.183 (180deg=-0.306) USER MOD Single : A 43 LYS NZ :NH3+ 175:sc= -0.0016 (180deg=-0.0545) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 138:sc= 0.854 (180deg=-0.398) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 64 THR OG1 : rot 160:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -125:sc= 0.0493 (180deg=-1.19) USER MOD Single : A 75 SER OG : rot 68:sc= 0.609 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -1.66! K(o=-1.7!,f=-0.97) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO A 4 -7.316 -12.225 3.440 1.00 42.23 N ATOM 29 CA PRO A 4 -6.640 -10.941 3.097 1.00 1.31 C ATOM 30 C PRO A 4 -7.312 -10.198 1.917 1.00 20.53 C ATOM 31 O PRO A 4 -7.256 -8.973 1.844 1.00 11.43 O ATOM 32 CB PRO A 4 -5.198 -11.384 2.754 1.00 42.02 C ATOM 33 CG PRO A 4 -5.008 -12.678 3.490 1.00 74.02 C ATOM 34 CD PRO A 4 -6.352 -13.367 3.430 1.00 61.43 C ATOM 0 HA PRO A 4 -6.688 -10.219 3.912 1.00 1.31 H new ATOM 0 HB2 PRO A 4 -5.070 -11.518 1.680 1.00 42.02 H new ATOM 0 HB3 PRO A 4 -4.469 -10.638 3.071 1.00 42.02 H new ATOM 0 HG2 PRO A 4 -4.232 -13.286 3.024 1.00 74.02 H new ATOM 0 HG3 PRO A 4 -4.700 -12.503 4.521 1.00 74.02 H new ATOM 0 HD2 PRO A 4 -6.455 -13.974 2.530 1.00 61.43 H new ATOM 0 HD3 PRO A 4 -6.504 -14.031 4.281 1.00 61.43 H new ATOM 42 N ASP A 5 -7.951 -10.970 1.021 1.00 20.52 N ATOM 43 CA ASP A 5 -8.751 -10.446 -0.109 1.00 40.45 C ATOM 44 C ASP A 5 -9.923 -9.550 0.374 1.00 41.13 C ATOM 45 O ASP A 5 -10.210 -8.505 -0.221 1.00 42.51 O ATOM 46 CB ASP A 5 -9.291 -11.650 -0.927 1.00 61.02 C ATOM 47 CG ASP A 5 -10.198 -11.236 -2.099 1.00 24.45 C ATOM 48 OD1 ASP A 5 -9.675 -10.714 -3.111 1.00 2.34 O ATOM 49 OD2 ASP A 5 -11.434 -11.401 -2.015 1.00 51.31 O ATOM 0 H ASP A 5 -7.929 -11.989 1.058 1.00 20.52 H new ATOM 0 HA ASP A 5 -8.112 -9.819 -0.731 1.00 40.45 H new ATOM 0 HB2 ASP A 5 -8.449 -12.223 -1.314 1.00 61.02 H new ATOM 0 HB3 ASP A 5 -9.848 -12.311 -0.262 1.00 61.02 H new ATOM 54 N GLU A 6 -10.576 -9.979 1.474 1.00 13.51 N ATOM 55 CA GLU A 6 -11.719 -9.265 2.087 1.00 15.05 C ATOM 56 C GLU A 6 -11.247 -7.970 2.777 1.00 71.12 C ATOM 57 O GLU A 6 -11.965 -6.961 2.797 1.00 31.40 O ATOM 58 CB GLU A 6 -12.435 -10.201 3.101 1.00 35.45 C ATOM 59 CG GLU A 6 -13.005 -11.488 2.474 1.00 72.24 C ATOM 60 CD GLU A 6 -13.655 -12.447 3.489 1.00 21.42 C ATOM 61 OE1 GLU A 6 -14.764 -12.150 3.977 1.00 2.54 O ATOM 62 OE2 GLU A 6 -13.080 -13.511 3.787 1.00 60.42 O ATOM 0 H GLU A 6 -10.324 -10.836 1.966 1.00 13.51 H new ATOM 0 HA GLU A 6 -12.424 -8.986 1.304 1.00 15.05 H new ATOM 0 HB2 GLU A 6 -11.731 -10.473 3.887 1.00 35.45 H new ATOM 0 HB3 GLU A 6 -13.247 -9.651 3.577 1.00 35.45 H new ATOM 0 HG2 GLU A 6 -13.745 -11.216 1.722 1.00 72.24 H new ATOM 0 HG3 GLU A 6 -12.203 -12.013 1.956 1.00 72.24 H new ATOM 69 N ASN A 7 -10.022 -8.023 3.335 1.00 42.42 N ATOM 70 CA ASN A 7 -9.353 -6.852 3.918 1.00 31.10 C ATOM 71 C ASN A 7 -9.032 -5.799 2.835 1.00 14.42 C ATOM 72 O ASN A 7 -9.268 -4.612 3.052 1.00 11.22 O ATOM 73 CB ASN A 7 -8.071 -7.285 4.685 1.00 51.31 C ATOM 74 CG ASN A 7 -8.381 -8.029 5.992 1.00 43.02 C ATOM 75 OD1 ASN A 7 -9.264 -7.641 6.764 1.00 10.33 O ATOM 76 ND2 ASN A 7 -7.678 -9.116 6.231 1.00 73.41 N ATOM 0 H ASN A 7 -9.472 -8.880 3.392 1.00 42.42 H new ATOM 0 HA ASN A 7 -10.033 -6.388 4.632 1.00 31.10 H new ATOM 0 HB2 ASN A 7 -7.468 -7.926 4.042 1.00 51.31 H new ATOM 0 HB3 ASN A 7 -7.471 -6.403 4.908 1.00 51.31 H new ATOM 0 HD21 ASN A 7 -7.856 -9.664 7.073 1.00 73.41 H new ATOM 0 HD22 ASN A 7 -6.955 -9.411 5.574 1.00 73.41 H new ATOM 83 N ILE A 8 -8.548 -6.264 1.659 1.00 73.12 N ATOM 84 CA ILE A 8 -8.252 -5.403 0.496 1.00 72.11 C ATOM 85 C ILE A 8 -9.519 -4.639 0.048 1.00 54.54 C ATOM 86 O ILE A 8 -9.481 -3.420 -0.110 1.00 3.35 O ATOM 87 CB ILE A 8 -7.679 -6.255 -0.702 1.00 73.41 C ATOM 88 CG1 ILE A 8 -6.291 -6.882 -0.329 1.00 74.34 C ATOM 89 CG2 ILE A 8 -7.590 -5.422 -2.007 1.00 35.44 C ATOM 90 CD1 ILE A 8 -5.723 -7.852 -1.359 1.00 5.13 C ATOM 0 H ILE A 8 -8.352 -7.251 1.493 1.00 73.12 H new ATOM 0 HA ILE A 8 -7.495 -4.679 0.797 1.00 72.11 H new ATOM 0 HB ILE A 8 -8.377 -7.071 -0.889 1.00 73.41 H new ATOM 0 HG12 ILE A 8 -5.574 -6.075 -0.178 1.00 74.34 H new ATOM 0 HG13 ILE A 8 -6.389 -7.403 0.623 1.00 74.34 H new ATOM 0 HG21 ILE A 8 -7.191 -6.043 -2.809 1.00 35.44 H new ATOM 0 HG22 ILE A 8 -8.584 -5.069 -2.282 1.00 35.44 H new ATOM 0 HG23 ILE A 8 -6.932 -4.567 -1.849 1.00 35.44 H new ATOM 0 HD11 ILE A 8 -4.762 -8.231 -1.011 1.00 5.13 H new ATOM 0 HD12 ILE A 8 -6.414 -8.684 -1.495 1.00 5.13 H new ATOM 0 HD13 ILE A 8 -5.586 -7.335 -2.309 1.00 5.13 H new ATOM 102 N ALA A 9 -10.643 -5.379 -0.088 1.00 51.21 N ATOM 103 CA ALA A 9 -11.948 -4.809 -0.482 1.00 42.32 C ATOM 104 C ALA A 9 -12.408 -3.693 0.492 1.00 51.21 C ATOM 105 O ALA A 9 -13.047 -2.716 0.084 1.00 54.02 O ATOM 106 CB ALA A 9 -12.995 -5.930 -0.549 1.00 4.11 C ATOM 0 H ALA A 9 -10.669 -6.386 0.072 1.00 51.21 H new ATOM 0 HA ALA A 9 -11.838 -4.351 -1.465 1.00 42.32 H new ATOM 0 HB1 ALA A 9 -13.958 -5.511 -0.840 1.00 4.11 H new ATOM 0 HB2 ALA A 9 -12.686 -6.673 -1.284 1.00 4.11 H new ATOM 0 HB3 ALA A 9 -13.085 -6.403 0.429 1.00 4.11 H new ATOM 112 N LYS A 10 -12.051 -3.868 1.775 1.00 43.14 N ATOM 113 CA LYS A 10 -12.336 -2.905 2.851 1.00 1.22 C ATOM 114 C LYS A 10 -11.403 -1.675 2.767 1.00 71.14 C ATOM 115 O LYS A 10 -11.844 -0.543 3.003 1.00 52.32 O ATOM 116 CB LYS A 10 -12.208 -3.631 4.219 1.00 65.02 C ATOM 117 CG LYS A 10 -12.292 -2.724 5.473 1.00 64.11 C ATOM 118 CD LYS A 10 -12.399 -3.503 6.816 1.00 34.33 C ATOM 119 CE LYS A 10 -11.292 -4.574 7.032 1.00 60.14 C ATOM 120 NZ LYS A 10 -11.615 -5.880 6.380 1.00 10.42 N ATOM 0 H LYS A 10 -11.549 -4.695 2.098 1.00 43.14 H new ATOM 0 HA LYS A 10 -13.353 -2.528 2.741 1.00 1.22 H new ATOM 0 HB2 LYS A 10 -12.994 -4.384 4.285 1.00 65.02 H new ATOM 0 HB3 LYS A 10 -11.256 -4.161 4.240 1.00 65.02 H new ATOM 0 HG2 LYS A 10 -11.410 -2.085 5.506 1.00 64.11 H new ATOM 0 HG3 LYS A 10 -13.157 -2.068 5.376 1.00 64.11 H new ATOM 0 HD2 LYS A 10 -12.362 -2.789 7.639 1.00 34.33 H new ATOM 0 HD3 LYS A 10 -13.373 -3.991 6.861 1.00 34.33 H new ATOM 0 HE2 LYS A 10 -10.348 -4.199 6.636 1.00 60.14 H new ATOM 0 HE3 LYS A 10 -11.149 -4.732 8.101 1.00 60.14 H new ATOM 0 HZ1 LYS A 10 -10.829 -6.545 6.527 1.00 10.42 H new ATOM 0 HZ2 LYS A 10 -12.483 -6.272 6.798 1.00 10.42 H new ATOM 0 HZ3 LYS A 10 -11.758 -5.733 5.360 1.00 10.42 H new ATOM 134 N PHE A 11 -10.124 -1.901 2.398 1.00 34.23 N ATOM 135 CA PHE A 11 -9.133 -0.808 2.249 1.00 44.13 C ATOM 136 C PHE A 11 -9.457 0.056 1.014 1.00 12.22 C ATOM 137 O PHE A 11 -9.165 1.246 1.008 1.00 3.25 O ATOM 138 CB PHE A 11 -7.677 -1.354 2.154 1.00 75.45 C ATOM 139 CG PHE A 11 -7.208 -2.200 3.350 1.00 2.10 C ATOM 140 CD1 PHE A 11 -7.570 -1.870 4.663 1.00 32.21 C ATOM 141 CD2 PHE A 11 -6.412 -3.340 3.158 1.00 54.30 C ATOM 142 CE1 PHE A 11 -7.152 -2.649 5.729 1.00 61.14 C ATOM 143 CE2 PHE A 11 -6.002 -4.115 4.229 1.00 15.25 C ATOM 144 CZ PHE A 11 -6.373 -3.771 5.512 1.00 25.15 C ATOM 0 H PHE A 11 -9.751 -2.829 2.197 1.00 34.23 H new ATOM 0 HA PHE A 11 -9.199 -0.189 3.144 1.00 44.13 H new ATOM 0 HB2 PHE A 11 -7.592 -1.956 1.250 1.00 75.45 H new ATOM 0 HB3 PHE A 11 -6.997 -0.509 2.040 1.00 75.45 H new ATOM 0 HD1 PHE A 11 -8.182 -0.999 4.846 1.00 32.21 H new ATOM 0 HD2 PHE A 11 -6.114 -3.617 2.158 1.00 54.30 H new ATOM 0 HE1 PHE A 11 -7.436 -2.379 6.735 1.00 61.14 H new ATOM 0 HE2 PHE A 11 -5.391 -4.990 4.060 1.00 15.25 H new ATOM 0 HZ PHE A 11 -6.055 -4.378 6.347 1.00 25.15 H new ATOM 154 N GLU A 12 -10.072 -0.567 -0.010 1.00 15.34 N ATOM 155 CA GLU A 12 -10.525 0.125 -1.231 1.00 64.02 C ATOM 156 C GLU A 12 -11.744 1.012 -0.942 1.00 11.32 C ATOM 157 O GLU A 12 -11.901 2.081 -1.548 1.00 61.21 O ATOM 158 CB GLU A 12 -10.865 -0.917 -2.332 1.00 70.32 C ATOM 159 CG GLU A 12 -9.676 -1.782 -2.830 1.00 5.13 C ATOM 160 CD GLU A 12 -8.651 -1.044 -3.723 1.00 71.44 C ATOM 161 OE1 GLU A 12 -8.109 0.000 -3.301 1.00 24.21 O ATOM 162 OE2 GLU A 12 -8.372 -1.516 -4.857 1.00 34.12 O ATOM 0 H GLU A 12 -10.269 -1.568 -0.013 1.00 15.34 H new ATOM 0 HA GLU A 12 -9.718 0.768 -1.583 1.00 64.02 H new ATOM 0 HB2 GLU A 12 -11.640 -1.582 -1.950 1.00 70.32 H new ATOM 0 HB3 GLU A 12 -11.290 -0.390 -3.186 1.00 70.32 H new ATOM 0 HG2 GLU A 12 -9.153 -2.186 -1.963 1.00 5.13 H new ATOM 0 HG3 GLU A 12 -10.073 -2.631 -3.386 1.00 5.13 H new ATOM 169 N LYS A 13 -12.609 0.554 -0.024 1.00 11.04 N ATOM 170 CA LYS A 13 -13.812 1.294 0.389 1.00 22.45 C ATOM 171 C LYS A 13 -13.418 2.522 1.247 1.00 44.21 C ATOM 172 O LYS A 13 -13.973 3.619 1.087 1.00 12.15 O ATOM 173 CB LYS A 13 -14.758 0.337 1.163 1.00 14.24 C ATOM 174 CG LYS A 13 -16.154 0.893 1.565 1.00 31.04 C ATOM 175 CD LYS A 13 -17.153 1.100 0.380 1.00 0.24 C ATOM 176 CE LYS A 13 -17.000 2.452 -0.342 1.00 3.31 C ATOM 177 NZ LYS A 13 -17.989 2.600 -1.447 1.00 12.54 N ATOM 0 H LYS A 13 -12.494 -0.340 0.453 1.00 11.04 H new ATOM 0 HA LYS A 13 -14.339 1.666 -0.490 1.00 22.45 H new ATOM 0 HB2 LYS A 13 -14.911 -0.553 0.553 1.00 14.24 H new ATOM 0 HB3 LYS A 13 -14.247 0.017 2.071 1.00 14.24 H new ATOM 0 HG2 LYS A 13 -16.606 0.211 2.285 1.00 31.04 H new ATOM 0 HG3 LYS A 13 -16.015 1.847 2.073 1.00 31.04 H new ATOM 0 HD2 LYS A 13 -17.014 0.296 -0.343 1.00 0.24 H new ATOM 0 HD3 LYS A 13 -18.172 1.016 0.759 1.00 0.24 H new ATOM 0 HE2 LYS A 13 -17.129 3.264 0.374 1.00 3.31 H new ATOM 0 HE3 LYS A 13 -15.990 2.539 -0.743 1.00 3.31 H new ATOM 0 HZ1 LYS A 13 -17.856 3.522 -1.910 1.00 12.54 H new ATOM 0 HZ2 LYS A 13 -17.849 1.839 -2.142 1.00 12.54 H new ATOM 0 HZ3 LYS A 13 -18.953 2.542 -1.060 1.00 12.54 H new ATOM 191 N ALA A 14 -12.409 2.315 2.120 1.00 74.22 N ATOM 192 CA ALA A 14 -11.842 3.370 2.982 1.00 14.32 C ATOM 193 C ALA A 14 -10.964 4.334 2.171 1.00 23.11 C ATOM 194 O ALA A 14 -10.808 5.503 2.542 1.00 52.44 O ATOM 195 CB ALA A 14 -11.043 2.727 4.129 1.00 53.20 C ATOM 0 H ALA A 14 -11.964 1.406 2.246 1.00 74.22 H new ATOM 0 HA ALA A 14 -12.659 3.954 3.406 1.00 14.32 H new ATOM 0 HB1 ALA A 14 -10.625 3.508 4.764 1.00 53.20 H new ATOM 0 HB2 ALA A 14 -11.703 2.092 4.721 1.00 53.20 H new ATOM 0 HB3 ALA A 14 -10.234 2.124 3.716 1.00 53.20 H new ATOM 201 N TYR A 15 -10.386 3.808 1.072 1.00 42.55 N ATOM 202 CA TYR A 15 -9.529 4.559 0.138 1.00 30.43 C ATOM 203 C TYR A 15 -10.275 5.755 -0.457 1.00 62.22 C ATOM 204 O TYR A 15 -9.771 6.872 -0.454 1.00 13.52 O ATOM 205 CB TYR A 15 -9.064 3.603 -0.993 1.00 22.22 C ATOM 206 CG TYR A 15 -8.118 4.200 -2.044 1.00 42.34 C ATOM 207 CD1 TYR A 15 -6.746 4.228 -1.836 1.00 42.40 C ATOM 208 CD2 TYR A 15 -8.594 4.715 -3.257 1.00 32.21 C ATOM 209 CE1 TYR A 15 -5.889 4.744 -2.781 1.00 50.20 C ATOM 210 CE2 TYR A 15 -7.733 5.225 -4.205 1.00 45.43 C ATOM 211 CZ TYR A 15 -6.378 5.241 -3.961 1.00 72.01 C ATOM 212 OH TYR A 15 -5.510 5.753 -4.907 1.00 34.04 O ATOM 0 H TYR A 15 -10.505 2.831 0.806 1.00 42.55 H new ATOM 0 HA TYR A 15 -8.666 4.945 0.680 1.00 30.43 H new ATOM 0 HB2 TYR A 15 -8.569 2.747 -0.535 1.00 22.22 H new ATOM 0 HB3 TYR A 15 -9.948 3.224 -1.505 1.00 22.22 H new ATOM 0 HD1 TYR A 15 -6.343 3.837 -0.914 1.00 42.40 H new ATOM 0 HD2 TYR A 15 -9.656 4.712 -3.453 1.00 32.21 H new ATOM 0 HE1 TYR A 15 -4.826 4.757 -2.592 1.00 50.20 H new ATOM 0 HE2 TYR A 15 -8.120 5.611 -5.136 1.00 45.43 H new ATOM 0 HH TYR A 15 -6.019 6.062 -5.685 1.00 34.04 H new ATOM 222 N LYS A 16 -11.488 5.484 -0.958 1.00 3.44 N ATOM 223 CA LYS A 16 -12.319 6.488 -1.636 1.00 12.12 C ATOM 224 C LYS A 16 -12.886 7.527 -0.655 1.00 61.22 C ATOM 225 O LYS A 16 -13.094 8.686 -1.027 1.00 33.20 O ATOM 226 CB LYS A 16 -13.452 5.780 -2.410 1.00 40.01 C ATOM 227 CG LYS A 16 -12.954 4.885 -3.560 1.00 42.42 C ATOM 228 CD LYS A 16 -12.148 5.674 -4.618 1.00 43.31 C ATOM 229 CE LYS A 16 -11.613 4.779 -5.738 1.00 20.22 C ATOM 230 NZ LYS A 16 -10.737 5.540 -6.664 1.00 62.22 N ATOM 0 H LYS A 16 -11.921 4.562 -0.904 1.00 3.44 H new ATOM 0 HA LYS A 16 -11.689 7.035 -2.338 1.00 12.12 H new ATOM 0 HB2 LYS A 16 -14.031 5.173 -1.714 1.00 40.01 H new ATOM 0 HB3 LYS A 16 -14.128 6.533 -2.815 1.00 40.01 H new ATOM 0 HG2 LYS A 16 -12.331 4.089 -3.153 1.00 42.42 H new ATOM 0 HG3 LYS A 16 -13.808 4.407 -4.040 1.00 42.42 H new ATOM 0 HD2 LYS A 16 -12.782 6.449 -5.049 1.00 43.31 H new ATOM 0 HD3 LYS A 16 -11.313 6.179 -4.131 1.00 43.31 H new ATOM 0 HE2 LYS A 16 -11.055 3.948 -5.307 1.00 20.22 H new ATOM 0 HE3 LYS A 16 -12.447 4.350 -6.293 1.00 20.22 H new ATOM 0 HZ1 LYS A 16 -10.041 4.896 -7.091 1.00 62.22 H new ATOM 0 HZ2 LYS A 16 -11.315 5.971 -7.413 1.00 62.22 H new ATOM 0 HZ3 LYS A 16 -10.240 6.287 -6.137 1.00 62.22 H new ATOM 244 N LYS A 17 -13.130 7.099 0.596 1.00 23.21 N ATOM 245 CA LYS A 17 -13.508 8.002 1.695 1.00 32.53 C ATOM 246 C LYS A 17 -12.384 9.022 1.954 1.00 35.13 C ATOM 247 O LYS A 17 -12.632 10.217 2.108 1.00 3.11 O ATOM 248 CB LYS A 17 -13.803 7.196 2.984 1.00 72.32 C ATOM 249 CG LYS A 17 -14.250 8.068 4.179 1.00 55.52 C ATOM 250 CD LYS A 17 -14.501 7.252 5.461 1.00 12.02 C ATOM 251 CE LYS A 17 -13.234 6.560 6.002 1.00 11.01 C ATOM 252 NZ LYS A 17 -13.487 5.866 7.301 1.00 74.04 N ATOM 0 H LYS A 17 -13.071 6.119 0.872 1.00 23.21 H new ATOM 0 HA LYS A 17 -14.412 8.538 1.407 1.00 32.53 H new ATOM 0 HB2 LYS A 17 -14.580 6.462 2.772 1.00 72.32 H new ATOM 0 HB3 LYS A 17 -12.908 6.641 3.266 1.00 72.32 H new ATOM 0 HG2 LYS A 17 -13.487 8.820 4.378 1.00 55.52 H new ATOM 0 HG3 LYS A 17 -15.162 8.602 3.911 1.00 55.52 H new ATOM 0 HD2 LYS A 17 -14.903 7.912 6.230 1.00 12.02 H new ATOM 0 HD3 LYS A 17 -15.261 6.497 5.260 1.00 12.02 H new ATOM 0 HE2 LYS A 17 -12.874 5.838 5.269 1.00 11.01 H new ATOM 0 HE3 LYS A 17 -12.445 7.300 6.134 1.00 11.01 H new ATOM 0 HZ1 LYS A 17 -12.610 5.414 7.630 1.00 74.04 H new ATOM 0 HZ2 LYS A 17 -13.806 6.559 8.008 1.00 74.04 H new ATOM 0 HZ3 LYS A 17 -14.222 5.142 7.170 1.00 74.04 H new ATOM 266 N ALA A 18 -11.143 8.521 1.957 1.00 3.43 N ATOM 267 CA ALA A 18 -9.949 9.358 2.116 1.00 4.32 C ATOM 268 C ALA A 18 -9.680 10.208 0.853 1.00 1.24 C ATOM 269 O ALA A 18 -9.182 11.324 0.955 1.00 64.13 O ATOM 270 CB ALA A 18 -8.751 8.468 2.451 1.00 63.22 C ATOM 0 H ALA A 18 -10.939 7.527 1.850 1.00 3.43 H new ATOM 0 HA ALA A 18 -10.115 10.057 2.935 1.00 4.32 H new ATOM 0 HB1 ALA A 18 -7.861 9.086 2.570 1.00 63.22 H new ATOM 0 HB2 ALA A 18 -8.946 7.930 3.378 1.00 63.22 H new ATOM 0 HB3 ALA A 18 -8.591 7.754 1.643 1.00 63.22 H new ATOM 276 N GLU A 19 -10.066 9.671 -0.327 1.00 22.34 N ATOM 277 CA GLU A 19 -9.812 10.300 -1.649 1.00 11.20 C ATOM 278 C GLU A 19 -10.641 11.582 -1.834 1.00 40.22 C ATOM 279 O GLU A 19 -10.140 12.600 -2.333 1.00 73.53 O ATOM 280 CB GLU A 19 -10.133 9.284 -2.779 1.00 61.55 C ATOM 281 CG GLU A 19 -9.736 9.749 -4.198 1.00 1.31 C ATOM 282 CD GLU A 19 -10.014 8.710 -5.295 1.00 71.33 C ATOM 283 OE1 GLU A 19 -9.242 7.742 -5.427 1.00 51.31 O ATOM 284 OE2 GLU A 19 -11.001 8.857 -6.050 1.00 61.52 O ATOM 0 H GLU A 19 -10.566 8.784 -0.392 1.00 22.34 H new ATOM 0 HA GLU A 19 -8.760 10.580 -1.697 1.00 11.20 H new ATOM 0 HB2 GLU A 19 -9.621 8.347 -2.562 1.00 61.55 H new ATOM 0 HB3 GLU A 19 -11.202 9.073 -2.766 1.00 61.55 H new ATOM 0 HG2 GLU A 19 -10.277 10.665 -4.434 1.00 1.31 H new ATOM 0 HG3 GLU A 19 -8.674 9.995 -4.205 1.00 1.31 H new ATOM 291 N GLU A 20 -11.912 11.517 -1.401 1.00 0.55 N ATOM 292 CA GLU A 20 -12.859 12.646 -1.524 1.00 23.24 C ATOM 293 C GLU A 20 -12.533 13.755 -0.503 1.00 0.52 C ATOM 294 O GLU A 20 -12.805 14.932 -0.747 1.00 42.15 O ATOM 295 CB GLU A 20 -14.316 12.148 -1.361 1.00 10.24 C ATOM 296 CG GLU A 20 -14.629 11.495 0.001 1.00 3.44 C ATOM 297 CD GLU A 20 -16.044 10.907 0.080 1.00 74.12 C ATOM 298 OE1 GLU A 20 -17.004 11.685 0.264 1.00 2.10 O ATOM 299 OE2 GLU A 20 -16.206 9.680 -0.064 1.00 73.42 O ATOM 0 H GLU A 20 -12.312 10.689 -0.959 1.00 0.55 H new ATOM 0 HA GLU A 20 -12.754 13.075 -2.521 1.00 23.24 H new ATOM 0 HB2 GLU A 20 -14.991 12.991 -1.508 1.00 10.24 H new ATOM 0 HB3 GLU A 20 -14.529 11.428 -2.151 1.00 10.24 H new ATOM 0 HG2 GLU A 20 -13.903 10.705 0.193 1.00 3.44 H new ATOM 0 HG3 GLU A 20 -14.507 12.238 0.789 1.00 3.44 H new ATOM 306 N LEU A 21 -11.926 13.351 0.632 1.00 24.12 N ATOM 307 CA LEU A 21 -11.426 14.275 1.667 1.00 13.44 C ATOM 308 C LEU A 21 -9.995 14.760 1.336 1.00 33.31 C ATOM 309 O LEU A 21 -9.439 15.592 2.065 1.00 55.31 O ATOM 310 CB LEU A 21 -11.457 13.555 3.045 1.00 51.22 C ATOM 311 CG LEU A 21 -12.863 13.092 3.545 1.00 51.51 C ATOM 312 CD1 LEU A 21 -12.759 12.278 4.855 1.00 35.24 C ATOM 313 CD2 LEU A 21 -13.807 14.300 3.703 1.00 43.31 C ATOM 0 H LEU A 21 -11.769 12.368 0.856 1.00 24.12 H new ATOM 0 HA LEU A 21 -12.068 15.155 1.701 1.00 13.44 H new ATOM 0 HB2 LEU A 21 -10.807 12.682 2.991 1.00 51.22 H new ATOM 0 HB3 LEU A 21 -11.030 14.224 3.792 1.00 51.22 H new ATOM 0 HG LEU A 21 -13.288 12.429 2.791 1.00 51.51 H new ATOM 0 HD11 LEU A 21 -13.756 11.972 5.174 1.00 35.24 H new ATOM 0 HD12 LEU A 21 -12.145 11.393 4.686 1.00 35.24 H new ATOM 0 HD13 LEU A 21 -12.303 12.893 5.631 1.00 35.24 H new ATOM 0 HD21 LEU A 21 -14.781 13.957 4.052 1.00 43.31 H new ATOM 0 HD22 LEU A 21 -13.387 14.998 4.427 1.00 43.31 H new ATOM 0 HD23 LEU A 21 -13.922 14.800 2.741 1.00 43.31 H new ATOM 325 N ASN A 22 -9.416 14.195 0.241 1.00 60.33 N ATOM 326 CA ASN A 22 -8.074 14.546 -0.293 1.00 33.43 C ATOM 327 C ASN A 22 -6.951 14.172 0.701 1.00 54.35 C ATOM 328 O ASN A 22 -5.826 14.675 0.612 1.00 42.32 O ATOM 329 CB ASN A 22 -8.000 16.052 -0.712 1.00 11.23 C ATOM 330 CG ASN A 22 -8.884 16.444 -1.907 1.00 43.05 C ATOM 331 OD1 ASN A 22 -8.479 17.257 -2.739 1.00 52.51 O ATOM 332 ND2 ASN A 22 -10.110 15.926 -1.987 1.00 35.23 N ATOM 0 H ASN A 22 -9.880 13.469 -0.304 1.00 60.33 H new ATOM 0 HA ASN A 22 -7.916 13.952 -1.193 1.00 33.43 H new ATOM 0 HB2 ASN A 22 -8.282 16.665 0.144 1.00 11.23 H new ATOM 0 HB3 ASN A 22 -6.965 16.295 -0.951 1.00 11.23 H new ATOM 0 HD21 ASN A 22 -10.731 16.202 -2.747 1.00 35.23 H new ATOM 0 HD22 ASN A 22 -10.426 15.254 -1.288 1.00 35.23 H new ATOM 339 N GLN A 23 -7.277 13.233 1.611 1.00 62.14 N ATOM 340 CA GLN A 23 -6.342 12.665 2.586 1.00 74.11 C ATOM 341 C GLN A 23 -5.544 11.545 1.906 1.00 71.22 C ATOM 342 O GLN A 23 -5.866 10.356 2.043 1.00 50.34 O ATOM 343 CB GLN A 23 -7.114 12.141 3.827 1.00 72.35 C ATOM 344 CG GLN A 23 -7.939 13.209 4.573 1.00 61.13 C ATOM 345 CD GLN A 23 -8.675 12.673 5.811 1.00 44.11 C ATOM 346 OE1 GLN A 23 -8.220 11.731 6.464 1.00 13.34 O ATOM 347 NE2 GLN A 23 -9.803 13.283 6.161 1.00 63.45 N ATOM 0 H GLN A 23 -8.217 12.845 1.685 1.00 62.14 H new ATOM 0 HA GLN A 23 -5.649 13.431 2.934 1.00 74.11 H new ATOM 0 HB2 GLN A 23 -7.783 11.341 3.510 1.00 72.35 H new ATOM 0 HB3 GLN A 23 -6.399 11.702 4.523 1.00 72.35 H new ATOM 0 HG2 GLN A 23 -7.276 14.019 4.878 1.00 61.13 H new ATOM 0 HG3 GLN A 23 -8.669 13.637 3.885 1.00 61.13 H new ATOM 0 HE21 GLN A 23 -10.157 14.060 5.603 1.00 63.45 H new ATOM 0 HE22 GLN A 23 -10.314 12.974 6.988 1.00 63.45 H new ATOM 356 N GLY A 24 -4.525 11.957 1.129 1.00 53.23 N ATOM 357 CA GLY A 24 -3.709 11.030 0.352 1.00 14.21 C ATOM 358 C GLY A 24 -2.901 10.070 1.221 1.00 43.14 C ATOM 359 O GLY A 24 -2.634 8.945 0.819 1.00 74.23 O ATOM 0 H GLY A 24 -4.253 12.935 1.028 1.00 53.23 H new ATOM 0 HA2 GLY A 24 -4.355 10.454 -0.311 1.00 14.21 H new ATOM 0 HA3 GLY A 24 -3.028 11.598 -0.281 1.00 14.21 H new ATOM 363 N GLU A 25 -2.539 10.533 2.429 1.00 34.41 N ATOM 364 CA GLU A 25 -1.783 9.752 3.423 1.00 3.13 C ATOM 365 C GLU A 25 -2.507 8.441 3.771 1.00 3.33 C ATOM 366 O GLU A 25 -1.893 7.379 3.798 1.00 23.23 O ATOM 367 CB GLU A 25 -1.589 10.623 4.685 1.00 44.50 C ATOM 368 CG GLU A 25 -0.840 9.930 5.838 1.00 11.31 C ATOM 369 CD GLU A 25 -0.691 10.826 7.071 1.00 40.21 C ATOM 370 OE1 GLU A 25 -1.661 10.932 7.851 1.00 75.32 O ATOM 371 OE2 GLU A 25 0.393 11.418 7.282 1.00 44.42 O ATOM 0 H GLU A 25 -2.767 11.475 2.748 1.00 34.41 H new ATOM 0 HA GLU A 25 -0.813 9.480 3.007 1.00 3.13 H new ATOM 0 HB2 GLU A 25 -1.044 11.525 4.407 1.00 44.50 H new ATOM 0 HB3 GLU A 25 -2.568 10.940 5.045 1.00 44.50 H new ATOM 0 HG2 GLU A 25 -1.373 9.021 6.117 1.00 11.31 H new ATOM 0 HG3 GLU A 25 0.149 9.627 5.493 1.00 11.31 H new ATOM 378 N LEU A 26 -3.825 8.545 3.982 1.00 42.21 N ATOM 379 CA LEU A 26 -4.687 7.407 4.349 1.00 32.05 C ATOM 380 C LEU A 26 -4.969 6.502 3.146 1.00 53.31 C ATOM 381 O LEU A 26 -5.193 5.300 3.307 1.00 24.22 O ATOM 382 CB LEU A 26 -5.985 7.893 5.012 1.00 22.11 C ATOM 383 CG LEU A 26 -5.782 8.520 6.437 1.00 64.54 C ATOM 384 CD1 LEU A 26 -5.320 9.992 6.383 1.00 10.44 C ATOM 385 CD2 LEU A 26 -7.035 8.336 7.287 1.00 4.55 C ATOM 0 H LEU A 26 -4.330 9.427 3.903 1.00 42.21 H new ATOM 0 HA LEU A 26 -4.148 6.804 5.080 1.00 32.05 H new ATOM 0 HB2 LEU A 26 -6.456 8.633 4.365 1.00 22.11 H new ATOM 0 HB3 LEU A 26 -6.676 7.054 5.091 1.00 22.11 H new ATOM 0 HG LEU A 26 -4.968 7.978 6.918 1.00 64.54 H new ATOM 0 HD11 LEU A 26 -5.196 10.372 7.397 1.00 10.44 H new ATOM 0 HD12 LEU A 26 -4.370 10.056 5.853 1.00 10.44 H new ATOM 0 HD13 LEU A 26 -6.067 10.589 5.860 1.00 10.44 H new ATOM 0 HD21 LEU A 26 -6.875 8.777 8.271 1.00 4.55 H new ATOM 0 HD22 LEU A 26 -7.879 8.827 6.802 1.00 4.55 H new ATOM 0 HD23 LEU A 26 -7.248 7.273 7.396 1.00 4.55 H new ATOM 397 N MET A 27 -4.945 7.097 1.942 1.00 53.33 N ATOM 398 CA MET A 27 -5.009 6.352 0.674 1.00 12.52 C ATOM 399 C MET A 27 -3.725 5.531 0.459 1.00 24.13 C ATOM 400 O MET A 27 -3.775 4.397 -0.041 1.00 55.42 O ATOM 401 CB MET A 27 -5.226 7.307 -0.525 1.00 71.43 C ATOM 402 CG MET A 27 -6.618 7.942 -0.607 1.00 30.41 C ATOM 403 SD MET A 27 -7.036 8.473 -2.277 1.00 4.53 S ATOM 404 CE MET A 27 -5.755 9.662 -2.635 1.00 62.45 C ATOM 0 H MET A 27 -4.881 8.108 1.820 1.00 53.33 H new ATOM 0 HA MET A 27 -5.859 5.672 0.735 1.00 12.52 H new ATOM 0 HB2 MET A 27 -4.483 8.103 -0.475 1.00 71.43 H new ATOM 0 HB3 MET A 27 -5.040 6.756 -1.447 1.00 71.43 H new ATOM 0 HG2 MET A 27 -7.362 7.225 -0.260 1.00 30.41 H new ATOM 0 HG3 MET A 27 -6.663 8.799 0.065 1.00 30.41 H new ATOM 0 HE1 MET A 27 -5.826 9.971 -3.678 1.00 62.45 H new ATOM 0 HE2 MET A 27 -5.876 10.532 -1.990 1.00 62.45 H new ATOM 0 HE3 MET A 27 -4.779 9.210 -2.456 1.00 62.45 H new ATOM 414 N GLY A 28 -2.585 6.122 0.860 1.00 73.01 N ATOM 415 CA GLY A 28 -1.301 5.443 0.797 1.00 44.04 C ATOM 416 C GLY A 28 -1.239 4.291 1.781 1.00 21.51 C ATOM 417 O GLY A 28 -0.741 3.226 1.450 1.00 32.31 O ATOM 0 H GLY A 28 -2.539 7.071 1.230 1.00 73.01 H new ATOM 0 HA2 GLY A 28 -1.133 5.071 -0.214 1.00 44.04 H new ATOM 0 HA3 GLY A 28 -0.501 6.152 1.012 1.00 44.04 H new ATOM 421 N ARG A 29 -1.783 4.524 2.996 1.00 0.03 N ATOM 422 CA ARG A 29 -1.926 3.500 4.046 1.00 25.04 C ATOM 423 C ARG A 29 -2.808 2.336 3.551 1.00 42.34 C ATOM 424 O ARG A 29 -2.533 1.178 3.849 1.00 1.42 O ATOM 425 CB ARG A 29 -2.552 4.126 5.323 1.00 40.53 C ATOM 426 CG ARG A 29 -1.647 5.120 6.091 1.00 44.03 C ATOM 427 CD ARG A 29 -2.405 5.854 7.216 1.00 12.30 C ATOM 428 NE ARG A 29 -1.514 6.723 8.007 1.00 30.23 N ATOM 429 CZ ARG A 29 -1.926 7.674 8.869 1.00 32.14 C ATOM 430 NH1 ARG A 29 -3.227 7.909 9.044 1.00 11.42 N ATOM 431 NH2 ARG A 29 -1.034 8.352 9.577 1.00 64.43 N ATOM 0 H ARG A 29 -2.138 5.439 3.275 1.00 0.03 H new ATOM 0 HA ARG A 29 -0.935 3.113 4.285 1.00 25.04 H new ATOM 0 HB2 ARG A 29 -3.470 4.641 5.041 1.00 40.53 H new ATOM 0 HB3 ARG A 29 -2.834 3.320 6.001 1.00 40.53 H new ATOM 0 HG2 ARG A 29 -0.801 4.582 6.518 1.00 44.03 H new ATOM 0 HG3 ARG A 29 -1.240 5.852 5.393 1.00 44.03 H new ATOM 0 HD2 ARG A 29 -3.205 6.454 6.782 1.00 12.30 H new ATOM 0 HD3 ARG A 29 -2.875 5.123 7.873 1.00 12.30 H new ATOM 0 HE ARG A 29 -0.509 6.595 7.893 1.00 30.23 H new ATOM 0 HH11 ARG A 29 -3.918 7.368 8.524 1.00 11.42 H new ATOM 0 HH12 ARG A 29 -3.532 8.630 9.698 1.00 11.42 H new ATOM 0 HH21 ARG A 29 -0.039 8.154 9.469 1.00 64.43 H new ATOM 0 HH22 ARG A 29 -1.342 9.072 10.230 1.00 64.43 H new ATOM 445 N ALA A 30 -3.866 2.675 2.785 1.00 61.24 N ATOM 446 CA ALA A 30 -4.802 1.690 2.240 1.00 24.13 C ATOM 447 C ALA A 30 -4.104 0.755 1.237 1.00 21.10 C ATOM 448 O ALA A 30 -4.146 -0.461 1.405 1.00 4.41 O ATOM 449 CB ALA A 30 -6.002 2.395 1.601 1.00 51.20 C ATOM 0 H ALA A 30 -4.088 3.638 2.532 1.00 61.24 H new ATOM 0 HA ALA A 30 -5.166 1.071 3.060 1.00 24.13 H new ATOM 0 HB1 ALA A 30 -6.690 1.651 1.200 1.00 51.20 H new ATOM 0 HB2 ALA A 30 -6.515 2.995 2.353 1.00 51.20 H new ATOM 0 HB3 ALA A 30 -5.657 3.042 0.795 1.00 51.20 H new ATOM 455 N LEU A 31 -3.410 1.356 0.239 1.00 44.44 N ATOM 456 CA LEU A 31 -2.693 0.609 -0.817 1.00 50.21 C ATOM 457 C LEU A 31 -1.508 -0.175 -0.241 1.00 64.21 C ATOM 458 O LEU A 31 -1.172 -1.257 -0.735 1.00 3.11 O ATOM 459 CB LEU A 31 -2.180 1.573 -1.921 1.00 23.44 C ATOM 460 CG LEU A 31 -3.264 2.397 -2.670 1.00 33.14 C ATOM 461 CD1 LEU A 31 -2.627 3.355 -3.706 1.00 62.24 C ATOM 462 CD2 LEU A 31 -4.309 1.466 -3.323 1.00 14.51 C ATOM 0 H LEU A 31 -3.333 2.369 0.146 1.00 44.44 H new ATOM 0 HA LEU A 31 -3.402 -0.096 -1.251 1.00 50.21 H new ATOM 0 HB2 LEU A 31 -1.474 2.268 -1.468 1.00 23.44 H new ATOM 0 HB3 LEU A 31 -1.625 0.989 -2.655 1.00 23.44 H new ATOM 0 HG LEU A 31 -3.783 3.015 -1.937 1.00 33.14 H new ATOM 0 HD11 LEU A 31 -3.412 3.917 -4.213 1.00 62.24 H new ATOM 0 HD12 LEU A 31 -1.956 4.047 -3.197 1.00 62.24 H new ATOM 0 HD13 LEU A 31 -2.064 2.777 -4.439 1.00 62.24 H new ATOM 0 HD21 LEU A 31 -5.057 2.066 -3.841 1.00 14.51 H new ATOM 0 HD22 LEU A 31 -3.814 0.807 -4.037 1.00 14.51 H new ATOM 0 HD23 LEU A 31 -4.794 0.867 -2.553 1.00 14.51 H new ATOM 474 N TYR A 32 -0.882 0.393 0.802 1.00 52.11 N ATOM 475 CA TYR A 32 0.222 -0.245 1.525 1.00 1.14 C ATOM 476 C TYR A 32 -0.261 -1.536 2.193 1.00 21.01 C ATOM 477 O TYR A 32 0.362 -2.592 2.046 1.00 42.11 O ATOM 478 CB TYR A 32 0.806 0.731 2.585 1.00 23.44 C ATOM 479 CG TYR A 32 1.890 0.110 3.466 1.00 24.20 C ATOM 480 CD1 TYR A 32 3.062 -0.378 2.898 1.00 30.04 C ATOM 481 CD2 TYR A 32 1.733 -0.017 4.848 1.00 25.54 C ATOM 482 CE1 TYR A 32 4.032 -0.974 3.670 1.00 34.24 C ATOM 483 CE2 TYR A 32 2.701 -0.618 5.619 1.00 40.22 C ATOM 484 CZ TYR A 32 3.850 -1.085 5.030 1.00 32.34 C ATOM 485 OH TYR A 32 4.808 -1.695 5.804 1.00 53.22 O ATOM 0 H TYR A 32 -1.131 1.312 1.167 1.00 52.11 H new ATOM 0 HA TYR A 32 1.010 -0.495 0.815 1.00 1.14 H new ATOM 0 HB2 TYR A 32 1.220 1.601 2.075 1.00 23.44 H new ATOM 0 HB3 TYR A 32 -0.004 1.089 3.220 1.00 23.44 H new ATOM 0 HD1 TYR A 32 3.213 -0.287 1.832 1.00 30.04 H new ATOM 0 HD2 TYR A 32 0.838 0.362 5.319 1.00 25.54 H new ATOM 0 HE1 TYR A 32 4.933 -1.353 3.211 1.00 34.24 H new ATOM 0 HE2 TYR A 32 2.558 -0.722 6.684 1.00 40.22 H new ATOM 0 HH TYR A 32 5.193 -2.451 5.313 1.00 53.22 H new ATOM 495 N ASN A 33 -1.394 -1.421 2.905 1.00 1.20 N ATOM 496 CA ASN A 33 -2.011 -2.542 3.627 1.00 33.21 C ATOM 497 C ASN A 33 -2.542 -3.614 2.658 1.00 53.15 C ATOM 498 O ASN A 33 -2.496 -4.799 2.980 1.00 41.11 O ATOM 499 CB ASN A 33 -3.134 -2.031 4.572 1.00 14.41 C ATOM 500 CG ASN A 33 -2.621 -1.303 5.826 1.00 22.24 C ATOM 501 OD1 ASN A 33 -1.539 -0.711 5.831 1.00 11.52 O ATOM 502 ND2 ASN A 33 -3.401 -1.337 6.901 1.00 32.34 N ATOM 0 H ASN A 33 -1.908 -0.545 2.995 1.00 1.20 H new ATOM 0 HA ASN A 33 -1.240 -3.013 4.237 1.00 33.21 H new ATOM 0 HB2 ASN A 33 -3.783 -1.356 4.014 1.00 14.41 H new ATOM 0 HB3 ASN A 33 -3.746 -2.878 4.882 1.00 14.41 H new ATOM 0 HD21 ASN A 33 -3.110 -0.866 7.758 1.00 32.34 H new ATOM 0 HD22 ASN A 33 -4.291 -1.834 6.870 1.00 32.34 H new ATOM 509 N ILE A 34 -3.018 -3.184 1.472 1.00 15.51 N ATOM 510 CA ILE A 34 -3.406 -4.093 0.377 1.00 45.01 C ATOM 511 C ILE A 34 -2.178 -4.877 -0.107 1.00 22.33 C ATOM 512 O ILE A 34 -2.254 -6.084 -0.323 1.00 31.13 O ATOM 513 CB ILE A 34 -4.032 -3.299 -0.830 1.00 25.44 C ATOM 514 CG1 ILE A 34 -5.386 -2.646 -0.426 1.00 53.30 C ATOM 515 CG2 ILE A 34 -4.200 -4.192 -2.077 1.00 13.12 C ATOM 516 CD1 ILE A 34 -5.959 -1.687 -1.454 1.00 71.23 C ATOM 0 H ILE A 34 -3.144 -2.197 1.247 1.00 15.51 H new ATOM 0 HA ILE A 34 -4.158 -4.782 0.761 1.00 45.01 H new ATOM 0 HB ILE A 34 -3.335 -2.503 -1.091 1.00 25.44 H new ATOM 0 HG12 ILE A 34 -6.114 -3.436 -0.241 1.00 53.30 H new ATOM 0 HG13 ILE A 34 -5.250 -2.111 0.514 1.00 53.30 H new ATOM 0 HG21 ILE A 34 -4.635 -3.607 -2.887 1.00 13.12 H new ATOM 0 HG22 ILE A 34 -3.226 -4.572 -2.386 1.00 13.12 H new ATOM 0 HG23 ILE A 34 -4.858 -5.028 -1.840 1.00 13.12 H new ATOM 0 HD11 ILE A 34 -6.902 -1.281 -1.087 1.00 71.23 H new ATOM 0 HD12 ILE A 34 -5.255 -0.873 -1.624 1.00 71.23 H new ATOM 0 HD13 ILE A 34 -6.132 -2.218 -2.390 1.00 71.23 H new ATOM 528 N GLY A 35 -1.050 -4.153 -0.257 1.00 31.31 N ATOM 529 CA GLY A 35 0.211 -4.750 -0.670 1.00 21.41 C ATOM 530 C GLY A 35 0.720 -5.774 0.331 1.00 20.51 C ATOM 531 O GLY A 35 1.280 -6.800 -0.058 1.00 10.15 O ATOM 0 H GLY A 35 -1.000 -3.147 -0.094 1.00 31.31 H new ATOM 0 HA2 GLY A 35 0.083 -5.227 -1.642 1.00 21.41 H new ATOM 0 HA3 GLY A 35 0.958 -3.966 -0.796 1.00 21.41 H new ATOM 535 N LEU A 36 0.503 -5.483 1.636 1.00 1.30 N ATOM 536 CA LEU A 36 0.820 -6.406 2.736 1.00 23.14 C ATOM 537 C LEU A 36 -0.017 -7.694 2.595 1.00 53.04 C ATOM 538 O LEU A 36 0.526 -8.789 2.679 1.00 4.24 O ATOM 539 CB LEU A 36 0.556 -5.732 4.117 1.00 62.43 C ATOM 540 CG LEU A 36 1.457 -4.505 4.486 1.00 51.40 C ATOM 541 CD1 LEU A 36 0.995 -3.850 5.809 1.00 62.41 C ATOM 542 CD2 LEU A 36 2.943 -4.911 4.559 1.00 73.34 C ATOM 0 H LEU A 36 0.102 -4.599 1.949 1.00 1.30 H new ATOM 0 HA LEU A 36 1.878 -6.663 2.683 1.00 23.14 H new ATOM 0 HB2 LEU A 36 -0.485 -5.410 4.145 1.00 62.43 H new ATOM 0 HB3 LEU A 36 0.677 -6.488 4.893 1.00 62.43 H new ATOM 0 HG LEU A 36 1.350 -3.764 3.693 1.00 51.40 H new ATOM 0 HD11 LEU A 36 1.639 -3.001 6.039 1.00 62.41 H new ATOM 0 HD12 LEU A 36 -0.034 -3.507 5.705 1.00 62.41 H new ATOM 0 HD13 LEU A 36 1.054 -4.580 6.616 1.00 62.41 H new ATOM 0 HD21 LEU A 36 3.546 -4.040 4.817 1.00 73.34 H new ATOM 0 HD22 LEU A 36 3.073 -5.681 5.320 1.00 73.34 H new ATOM 0 HD23 LEU A 36 3.262 -5.300 3.592 1.00 73.34 H new ATOM 554 N GLU A 37 -1.332 -7.527 2.317 1.00 24.31 N ATOM 555 CA GLU A 37 -2.269 -8.656 2.147 1.00 40.01 C ATOM 556 C GLU A 37 -1.921 -9.508 0.908 1.00 14.11 C ATOM 557 O GLU A 37 -2.035 -10.734 0.950 1.00 11.11 O ATOM 558 CB GLU A 37 -3.735 -8.153 2.062 1.00 23.43 C ATOM 559 CG GLU A 37 -4.247 -7.386 3.305 1.00 34.42 C ATOM 560 CD GLU A 37 -4.044 -8.110 4.652 1.00 25.24 C ATOM 561 OE1 GLU A 37 -2.977 -7.950 5.275 1.00 12.44 O ATOM 562 OE2 GLU A 37 -4.950 -8.838 5.102 1.00 13.40 O ATOM 0 H GLU A 37 -1.768 -6.611 2.206 1.00 24.31 H new ATOM 0 HA GLU A 37 -2.169 -9.292 3.027 1.00 40.01 H new ATOM 0 HB2 GLU A 37 -3.829 -7.504 1.192 1.00 23.43 H new ATOM 0 HB3 GLU A 37 -4.386 -9.010 1.892 1.00 23.43 H new ATOM 0 HG2 GLU A 37 -3.743 -6.421 3.350 1.00 34.42 H new ATOM 0 HG3 GLU A 37 -5.310 -7.184 3.175 1.00 34.42 H new ATOM 569 N LYS A 38 -1.468 -8.848 -0.175 1.00 52.23 N ATOM 570 CA LYS A 38 -1.000 -9.532 -1.390 1.00 45.43 C ATOM 571 C LYS A 38 0.247 -10.388 -1.074 1.00 71.12 C ATOM 572 O LYS A 38 0.333 -11.549 -1.484 1.00 64.51 O ATOM 573 CB LYS A 38 -0.662 -8.503 -2.499 1.00 42.32 C ATOM 574 CG LYS A 38 -1.866 -7.773 -3.135 1.00 32.05 C ATOM 575 CD LYS A 38 -2.757 -8.705 -3.993 1.00 25.13 C ATOM 576 CE LYS A 38 -3.861 -7.947 -4.744 1.00 44.32 C ATOM 577 NZ LYS A 38 -4.624 -8.847 -5.656 1.00 51.21 N ATOM 0 H LYS A 38 -1.417 -7.831 -0.230 1.00 52.23 H new ATOM 0 HA LYS A 38 -1.799 -10.182 -1.746 1.00 45.43 H new ATOM 0 HB2 LYS A 38 0.011 -7.755 -2.080 1.00 42.32 H new ATOM 0 HB3 LYS A 38 -0.115 -9.017 -3.289 1.00 42.32 H new ATOM 0 HG2 LYS A 38 -2.471 -7.327 -2.346 1.00 32.05 H new ATOM 0 HG3 LYS A 38 -1.501 -6.956 -3.757 1.00 32.05 H new ATOM 0 HD2 LYS A 38 -2.133 -9.236 -4.712 1.00 25.13 H new ATOM 0 HD3 LYS A 38 -3.213 -9.458 -3.350 1.00 25.13 H new ATOM 0 HE2 LYS A 38 -4.544 -7.492 -4.026 1.00 44.32 H new ATOM 0 HE3 LYS A 38 -3.418 -7.135 -5.321 1.00 44.32 H new ATOM 0 HZ1 LYS A 38 -5.243 -8.278 -6.268 1.00 51.21 H new ATOM 0 HZ2 LYS A 38 -3.960 -9.389 -6.244 1.00 51.21 H new ATOM 0 HZ3 LYS A 38 -5.202 -9.503 -5.093 1.00 51.21 H new ATOM 591 N ASN A 39 1.174 -9.789 -0.298 1.00 62.21 N ATOM 592 CA ASN A 39 2.426 -10.433 0.137 1.00 13.13 C ATOM 593 C ASN A 39 2.112 -11.681 0.997 1.00 53.42 C ATOM 594 O ASN A 39 2.727 -12.736 0.801 1.00 73.31 O ATOM 595 CB ASN A 39 3.313 -9.398 0.912 1.00 53.13 C ATOM 596 CG ASN A 39 4.762 -9.846 1.177 1.00 11.31 C ATOM 597 OD1 ASN A 39 5.052 -11.029 1.291 1.00 51.33 O ATOM 598 ND2 ASN A 39 5.689 -8.900 1.285 1.00 30.25 N ATOM 0 H ASN A 39 1.071 -8.835 0.047 1.00 62.21 H new ATOM 0 HA ASN A 39 2.988 -10.769 -0.734 1.00 13.13 H new ATOM 0 HB2 ASN A 39 3.335 -8.467 0.346 1.00 53.13 H new ATOM 0 HB3 ASN A 39 2.837 -9.179 1.868 1.00 53.13 H new ATOM 0 HD21 ASN A 39 6.660 -9.156 1.466 1.00 30.25 H new ATOM 0 HD22 ASN A 39 5.430 -7.918 1.187 1.00 30.25 H new ATOM 605 N LYS A 40 1.094 -11.555 1.883 1.00 30.32 N ATOM 606 CA LYS A 40 0.632 -12.652 2.770 1.00 65.31 C ATOM 607 C LYS A 40 0.118 -13.852 1.956 1.00 2.43 C ATOM 608 O LYS A 40 0.360 -15.011 2.308 1.00 2.43 O ATOM 609 CB LYS A 40 -0.517 -12.152 3.696 1.00 30.15 C ATOM 610 CG LYS A 40 -0.120 -11.056 4.703 1.00 65.02 C ATOM 611 CD LYS A 40 0.863 -11.551 5.785 1.00 53.03 C ATOM 612 CE LYS A 40 1.374 -10.403 6.664 1.00 2.31 C ATOM 613 NZ LYS A 40 2.305 -10.879 7.714 1.00 51.24 N ATOM 0 H LYS A 40 0.569 -10.689 2.003 1.00 30.32 H new ATOM 0 HA LYS A 40 1.487 -12.967 3.369 1.00 65.31 H new ATOM 0 HB2 LYS A 40 -1.326 -11.773 3.072 1.00 30.15 H new ATOM 0 HB3 LYS A 40 -0.913 -13.004 4.249 1.00 30.15 H new ATOM 0 HG2 LYS A 40 0.332 -10.223 4.164 1.00 65.02 H new ATOM 0 HG3 LYS A 40 -1.019 -10.673 5.186 1.00 65.02 H new ATOM 0 HD2 LYS A 40 0.369 -12.295 6.411 1.00 53.03 H new ATOM 0 HD3 LYS A 40 1.708 -12.046 5.308 1.00 53.03 H new ATOM 0 HE2 LYS A 40 1.878 -9.665 6.040 1.00 2.31 H new ATOM 0 HE3 LYS A 40 0.527 -9.900 7.131 1.00 2.31 H new ATOM 0 HZ1 LYS A 40 2.626 -10.071 8.285 1.00 51.24 H new ATOM 0 HZ2 LYS A 40 1.817 -11.564 8.326 1.00 51.24 H new ATOM 0 HZ3 LYS A 40 3.126 -11.336 7.269 1.00 51.24 H new ATOM 627 N MET A 41 -0.599 -13.544 0.862 1.00 34.13 N ATOM 628 CA MET A 41 -1.220 -14.554 -0.011 1.00 14.10 C ATOM 629 C MET A 41 -0.222 -15.094 -1.060 1.00 14.14 C ATOM 630 O MET A 41 -0.571 -15.987 -1.837 1.00 63.45 O ATOM 631 CB MET A 41 -2.459 -13.948 -0.720 1.00 40.25 C ATOM 632 CG MET A 41 -3.566 -13.456 0.212 1.00 41.11 C ATOM 633 SD MET A 41 -5.009 -12.806 -0.671 1.00 5.25 S ATOM 634 CE MET A 41 -4.328 -11.395 -1.544 1.00 24.14 C ATOM 0 H MET A 41 -0.765 -12.585 0.558 1.00 34.13 H new ATOM 0 HA MET A 41 -1.529 -15.391 0.614 1.00 14.10 H new ATOM 0 HB2 MET A 41 -2.131 -13.114 -1.340 1.00 40.25 H new ATOM 0 HB3 MET A 41 -2.877 -14.699 -1.390 1.00 40.25 H new ATOM 0 HG2 MET A 41 -3.882 -14.277 0.855 1.00 41.11 H new ATOM 0 HG3 MET A 41 -3.165 -12.678 0.862 1.00 41.11 H new ATOM 0 HE1 MET A 41 -5.135 -10.839 -2.022 1.00 24.14 H new ATOM 0 HE2 MET A 41 -3.809 -10.747 -0.838 1.00 24.14 H new ATOM 0 HE3 MET A 41 -3.626 -11.741 -2.303 1.00 24.14 H new ATOM 644 N GLY A 42 1.006 -14.540 -1.087 1.00 62.14 N ATOM 645 CA GLY A 42 2.032 -14.977 -2.038 1.00 4.11 C ATOM 646 C GLY A 42 1.916 -14.328 -3.408 1.00 24.11 C ATOM 647 O GLY A 42 2.625 -14.725 -4.334 1.00 51.23 O ATOM 0 H GLY A 42 1.305 -13.792 -0.461 1.00 62.14 H new ATOM 0 HA2 GLY A 42 3.016 -14.756 -1.624 1.00 4.11 H new ATOM 0 HA3 GLY A 42 1.970 -16.059 -2.153 1.00 4.11 H new ATOM 651 N LYS A 43 1.006 -13.339 -3.545 1.00 31.23 N ATOM 652 CA LYS A 43 0.901 -12.486 -4.745 1.00 61.30 C ATOM 653 C LYS A 43 1.911 -11.332 -4.585 1.00 74.03 C ATOM 654 O LYS A 43 1.543 -10.161 -4.445 1.00 10.32 O ATOM 655 CB LYS A 43 -0.546 -11.931 -4.941 1.00 23.15 C ATOM 656 CG LYS A 43 -1.643 -12.959 -5.333 1.00 43.43 C ATOM 657 CD LYS A 43 -1.983 -13.950 -4.212 1.00 21.12 C ATOM 658 CE LYS A 43 -3.111 -14.921 -4.589 1.00 62.42 C ATOM 659 NZ LYS A 43 -2.766 -15.753 -5.770 1.00 73.23 N ATOM 0 H LYS A 43 0.322 -13.111 -2.823 1.00 31.23 H new ATOM 0 HA LYS A 43 1.126 -13.076 -5.633 1.00 61.30 H new ATOM 0 HB2 LYS A 43 -0.852 -11.444 -4.015 1.00 23.15 H new ATOM 0 HB3 LYS A 43 -0.513 -11.160 -5.710 1.00 23.15 H new ATOM 0 HG2 LYS A 43 -2.547 -12.422 -5.619 1.00 43.43 H new ATOM 0 HG3 LYS A 43 -1.312 -13.515 -6.210 1.00 43.43 H new ATOM 0 HD2 LYS A 43 -1.090 -14.521 -3.957 1.00 21.12 H new ATOM 0 HD3 LYS A 43 -2.272 -13.395 -3.320 1.00 21.12 H new ATOM 0 HE2 LYS A 43 -3.328 -15.570 -3.741 1.00 62.42 H new ATOM 0 HE3 LYS A 43 -4.019 -14.356 -4.798 1.00 62.42 H new ATOM 0 HZ1 LYS A 43 -3.520 -16.450 -5.936 1.00 73.23 H new ATOM 0 HZ2 LYS A 43 -2.668 -15.144 -6.607 1.00 73.23 H new ATOM 0 HZ3 LYS A 43 -1.869 -16.249 -5.595 1.00 73.23 H new ATOM 673 N VAL A 44 3.196 -11.705 -4.596 1.00 65.32 N ATOM 674 CA VAL A 44 4.307 -10.831 -4.200 1.00 45.03 C ATOM 675 C VAL A 44 4.611 -9.754 -5.268 1.00 71.24 C ATOM 676 O VAL A 44 5.109 -8.668 -4.941 1.00 74.22 O ATOM 677 CB VAL A 44 5.590 -11.692 -3.888 1.00 14.43 C ATOM 678 CG1 VAL A 44 6.758 -10.826 -3.398 1.00 73.35 C ATOM 679 CG2 VAL A 44 5.289 -12.812 -2.859 1.00 51.44 C ATOM 0 H VAL A 44 3.498 -12.636 -4.884 1.00 65.32 H new ATOM 0 HA VAL A 44 4.006 -10.302 -3.295 1.00 45.03 H new ATOM 0 HB VAL A 44 5.886 -12.157 -4.828 1.00 14.43 H new ATOM 0 HG11 VAL A 44 7.621 -11.460 -3.195 1.00 73.35 H new ATOM 0 HG12 VAL A 44 7.017 -10.096 -4.165 1.00 73.35 H new ATOM 0 HG13 VAL A 44 6.467 -10.306 -2.485 1.00 73.35 H new ATOM 0 HG21 VAL A 44 6.197 -13.385 -2.669 1.00 51.44 H new ATOM 0 HG22 VAL A 44 4.939 -12.366 -1.928 1.00 51.44 H new ATOM 0 HG23 VAL A 44 4.519 -13.474 -3.256 1.00 51.44 H new ATOM 689 N LYS A 45 4.295 -10.051 -6.542 1.00 71.05 N ATOM 690 CA LYS A 45 4.426 -9.064 -7.635 1.00 60.13 C ATOM 691 C LYS A 45 3.378 -7.949 -7.463 1.00 25.22 C ATOM 692 O LYS A 45 3.701 -6.766 -7.583 1.00 71.24 O ATOM 693 CB LYS A 45 4.285 -9.709 -9.046 1.00 25.35 C ATOM 694 CG LYS A 45 5.471 -10.603 -9.494 1.00 62.45 C ATOM 695 CD LYS A 45 5.520 -11.956 -8.761 1.00 42.44 C ATOM 696 CE LYS A 45 6.643 -12.869 -9.263 1.00 20.40 C ATOM 697 NZ LYS A 45 6.588 -14.204 -8.616 1.00 61.51 N ATOM 0 H LYS A 45 3.948 -10.962 -6.841 1.00 71.05 H new ATOM 0 HA LYS A 45 5.431 -8.646 -7.571 1.00 60.13 H new ATOM 0 HB2 LYS A 45 3.375 -10.308 -9.063 1.00 25.35 H new ATOM 0 HB3 LYS A 45 4.156 -8.913 -9.779 1.00 25.35 H new ATOM 0 HG2 LYS A 45 5.399 -10.781 -10.567 1.00 62.45 H new ATOM 0 HG3 LYS A 45 6.406 -10.069 -9.321 1.00 62.45 H new ATOM 0 HD2 LYS A 45 5.652 -11.780 -7.693 1.00 42.44 H new ATOM 0 HD3 LYS A 45 4.564 -12.464 -8.884 1.00 42.44 H new ATOM 0 HE2 LYS A 45 6.564 -12.984 -10.344 1.00 20.40 H new ATOM 0 HE3 LYS A 45 7.608 -12.405 -9.061 1.00 20.40 H new ATOM 0 HZ1 LYS A 45 7.362 -14.797 -8.978 1.00 61.51 H new ATOM 0 HZ2 LYS A 45 6.688 -14.095 -7.587 1.00 61.51 H new ATOM 0 HZ3 LYS A 45 5.676 -14.656 -8.830 1.00 61.51 H new ATOM 711 N GLU A 46 2.131 -8.359 -7.143 1.00 33.24 N ATOM 712 CA GLU A 46 1.011 -7.434 -6.908 1.00 64.12 C ATOM 713 C GLU A 46 1.232 -6.633 -5.617 1.00 23.31 C ATOM 714 O GLU A 46 0.784 -5.489 -5.512 1.00 25.32 O ATOM 715 CB GLU A 46 -0.331 -8.201 -6.868 1.00 53.24 C ATOM 716 CG GLU A 46 -0.610 -9.062 -8.127 1.00 41.11 C ATOM 717 CD GLU A 46 -2.049 -9.602 -8.191 1.00 35.31 C ATOM 718 OE1 GLU A 46 -2.477 -10.276 -7.241 1.00 75.50 O ATOM 719 OE2 GLU A 46 -2.772 -9.328 -9.182 1.00 21.32 O ATOM 0 H GLU A 46 1.877 -9.342 -7.041 1.00 33.24 H new ATOM 0 HA GLU A 46 0.967 -6.727 -7.737 1.00 64.12 H new ATOM 0 HB2 GLU A 46 -0.341 -8.847 -5.990 1.00 53.24 H new ATOM 0 HB3 GLU A 46 -1.143 -7.484 -6.745 1.00 53.24 H new ATOM 0 HG2 GLU A 46 -0.414 -8.465 -9.017 1.00 41.11 H new ATOM 0 HG3 GLU A 46 0.086 -9.901 -8.146 1.00 41.11 H new ATOM 726 N ALA A 47 1.965 -7.245 -4.661 1.00 52.14 N ATOM 727 CA ALA A 47 2.394 -6.581 -3.426 1.00 1.40 C ATOM 728 C ALA A 47 3.261 -5.357 -3.747 1.00 15.43 C ATOM 729 O ALA A 47 2.993 -4.268 -3.241 1.00 1.35 O ATOM 730 CB ALA A 47 3.153 -7.560 -2.528 1.00 60.04 C ATOM 0 H ALA A 47 2.273 -8.215 -4.731 1.00 52.14 H new ATOM 0 HA ALA A 47 1.508 -6.241 -2.890 1.00 1.40 H new ATOM 0 HB1 ALA A 47 3.464 -7.051 -1.616 1.00 60.04 H new ATOM 0 HB2 ALA A 47 2.504 -8.398 -2.273 1.00 60.04 H new ATOM 0 HB3 ALA A 47 4.032 -7.930 -3.055 1.00 60.04 H new ATOM 736 N ILE A 48 4.258 -5.571 -4.643 1.00 53.04 N ATOM 737 CA ILE A 48 5.187 -4.532 -5.124 1.00 12.13 C ATOM 738 C ILE A 48 4.432 -3.367 -5.765 1.00 41.53 C ATOM 739 O ILE A 48 4.661 -2.213 -5.407 1.00 55.22 O ATOM 740 CB ILE A 48 6.219 -5.143 -6.160 1.00 24.20 C ATOM 741 CG1 ILE A 48 7.176 -6.135 -5.438 1.00 33.44 C ATOM 742 CG2 ILE A 48 7.023 -4.052 -6.915 1.00 34.42 C ATOM 743 CD1 ILE A 48 8.199 -6.804 -6.335 1.00 21.24 C ATOM 0 H ILE A 48 4.437 -6.487 -5.054 1.00 53.04 H new ATOM 0 HA ILE A 48 5.733 -4.152 -4.261 1.00 12.13 H new ATOM 0 HB ILE A 48 5.644 -5.682 -6.913 1.00 24.20 H new ATOM 0 HG12 ILE A 48 7.702 -5.599 -4.648 1.00 33.44 H new ATOM 0 HG13 ILE A 48 6.578 -6.908 -4.955 1.00 33.44 H new ATOM 0 HG21 ILE A 48 7.715 -4.526 -7.611 1.00 34.42 H new ATOM 0 HG22 ILE A 48 6.336 -3.410 -7.466 1.00 34.42 H new ATOM 0 HG23 ILE A 48 7.584 -3.452 -6.198 1.00 34.42 H new ATOM 0 HD11 ILE A 48 8.819 -7.476 -5.742 1.00 21.24 H new ATOM 0 HD12 ILE A 48 7.686 -7.373 -7.110 1.00 21.24 H new ATOM 0 HD13 ILE A 48 8.828 -6.044 -6.799 1.00 21.24 H new ATOM 755 N GLU A 49 3.495 -3.702 -6.675 1.00 51.43 N ATOM 756 CA GLU A 49 2.726 -2.708 -7.437 1.00 35.21 C ATOM 757 C GLU A 49 1.959 -1.772 -6.489 1.00 62.11 C ATOM 758 O GLU A 49 2.000 -0.560 -6.659 1.00 1.42 O ATOM 759 CB GLU A 49 1.770 -3.409 -8.431 1.00 31.34 C ATOM 760 CG GLU A 49 2.489 -4.353 -9.425 1.00 74.44 C ATOM 761 CD GLU A 49 1.528 -5.082 -10.373 1.00 64.50 C ATOM 762 OE1 GLU A 49 0.746 -5.928 -9.901 1.00 33.14 O ATOM 763 OE2 GLU A 49 1.533 -4.804 -11.597 1.00 42.10 O ATOM 0 H GLU A 49 3.254 -4.667 -6.899 1.00 51.43 H new ATOM 0 HA GLU A 49 3.421 -2.098 -8.014 1.00 35.21 H new ATOM 0 HB2 GLU A 49 1.032 -3.981 -7.869 1.00 31.34 H new ATOM 0 HB3 GLU A 49 1.225 -2.651 -8.993 1.00 31.34 H new ATOM 0 HG2 GLU A 49 3.201 -3.775 -10.014 1.00 74.44 H new ATOM 0 HG3 GLU A 49 3.064 -5.090 -8.864 1.00 74.44 H new ATOM 770 N TYR A 50 1.328 -2.355 -5.457 1.00 72.02 N ATOM 771 CA TYR A 50 0.576 -1.597 -4.449 1.00 5.43 C ATOM 772 C TYR A 50 1.493 -0.824 -3.473 1.00 31.11 C ATOM 773 O TYR A 50 1.095 0.240 -2.996 1.00 24.33 O ATOM 774 CB TYR A 50 -0.385 -2.523 -3.675 1.00 13.34 C ATOM 775 CG TYR A 50 -1.696 -2.815 -4.418 1.00 31.10 C ATOM 776 CD1 TYR A 50 -2.692 -1.832 -4.522 1.00 75.51 C ATOM 777 CD2 TYR A 50 -1.948 -4.059 -5.009 1.00 13.13 C ATOM 778 CE1 TYR A 50 -3.876 -2.082 -5.181 1.00 63.41 C ATOM 779 CE2 TYR A 50 -3.136 -4.309 -5.670 1.00 13.22 C ATOM 780 CZ TYR A 50 -4.095 -3.319 -5.752 1.00 63.51 C ATOM 781 OH TYR A 50 -5.279 -3.564 -6.406 1.00 3.01 O ATOM 0 H TYR A 50 1.326 -3.363 -5.300 1.00 72.02 H new ATOM 0 HA TYR A 50 -0.007 -0.851 -4.989 1.00 5.43 H new ATOM 0 HB2 TYR A 50 0.122 -3.465 -3.467 1.00 13.34 H new ATOM 0 HB3 TYR A 50 -0.617 -2.067 -2.712 1.00 13.34 H new ATOM 0 HD1 TYR A 50 -2.528 -0.862 -4.077 1.00 75.51 H new ATOM 0 HD2 TYR A 50 -1.201 -4.837 -4.947 1.00 13.13 H new ATOM 0 HE1 TYR A 50 -4.630 -1.312 -5.250 1.00 63.41 H new ATOM 0 HE2 TYR A 50 -3.313 -5.274 -6.120 1.00 13.22 H new ATOM 0 HH TYR A 50 -5.278 -4.481 -6.753 1.00 3.01 H new ATOM 791 N PHE A 51 2.695 -1.365 -3.167 1.00 72.21 N ATOM 792 CA PHE A 51 3.682 -0.661 -2.306 1.00 74.23 C ATOM 793 C PHE A 51 4.264 0.564 -3.032 1.00 21.42 C ATOM 794 O PHE A 51 4.603 1.557 -2.389 1.00 44.41 O ATOM 795 CB PHE A 51 4.866 -1.575 -1.885 1.00 74.31 C ATOM 796 CG PHE A 51 4.550 -2.726 -0.933 1.00 3.31 C ATOM 797 CD1 PHE A 51 3.623 -2.582 0.095 1.00 40.11 C ATOM 798 CD2 PHE A 51 5.221 -3.951 -1.054 1.00 74.14 C ATOM 799 CE1 PHE A 51 3.373 -3.625 0.966 1.00 71.13 C ATOM 800 CE2 PHE A 51 4.964 -4.994 -0.186 1.00 72.53 C ATOM 801 CZ PHE A 51 4.039 -4.831 0.825 1.00 75.40 C ATOM 0 H PHE A 51 3.006 -2.278 -3.499 1.00 72.21 H new ATOM 0 HA PHE A 51 3.136 -0.357 -1.413 1.00 74.23 H new ATOM 0 HB2 PHE A 51 5.308 -1.995 -2.789 1.00 74.31 H new ATOM 0 HB3 PHE A 51 5.627 -0.950 -1.419 1.00 74.31 H new ATOM 0 HD1 PHE A 51 3.095 -1.647 0.213 1.00 40.11 H new ATOM 0 HD2 PHE A 51 5.951 -4.081 -1.839 1.00 74.14 H new ATOM 0 HE1 PHE A 51 2.654 -3.499 1.762 1.00 71.13 H new ATOM 0 HE2 PHE A 51 5.485 -5.933 -0.298 1.00 72.53 H new ATOM 0 HZ PHE A 51 3.834 -5.644 1.506 1.00 75.40 H new ATOM 811 N LEU A 52 4.375 0.456 -4.371 1.00 60.15 N ATOM 812 CA LEU A 52 4.913 1.528 -5.233 1.00 35.12 C ATOM 813 C LEU A 52 3.899 2.675 -5.317 1.00 41.13 C ATOM 814 O LEU A 52 4.265 3.836 -5.177 1.00 41.25 O ATOM 815 CB LEU A 52 5.232 0.988 -6.659 1.00 44.21 C ATOM 816 CG LEU A 52 6.438 0.004 -6.794 1.00 71.10 C ATOM 817 CD1 LEU A 52 6.527 -0.564 -8.232 1.00 1.32 C ATOM 818 CD2 LEU A 52 7.756 0.693 -6.394 1.00 42.11 C ATOM 0 H LEU A 52 4.094 -0.378 -4.886 1.00 60.15 H new ATOM 0 HA LEU A 52 5.842 1.895 -4.796 1.00 35.12 H new ATOM 0 HB2 LEU A 52 4.342 0.486 -7.038 1.00 44.21 H new ATOM 0 HB3 LEU A 52 5.418 1.842 -7.310 1.00 44.21 H new ATOM 0 HG LEU A 52 6.272 -0.829 -6.111 1.00 71.10 H new ATOM 0 HD11 LEU A 52 7.374 -1.246 -8.302 1.00 1.32 H new ATOM 0 HD12 LEU A 52 5.608 -1.101 -8.469 1.00 1.32 H new ATOM 0 HD13 LEU A 52 6.661 0.255 -8.939 1.00 1.32 H new ATOM 0 HD21 LEU A 52 8.581 -0.012 -6.496 1.00 42.11 H new ATOM 0 HD22 LEU A 52 7.930 1.551 -7.043 1.00 42.11 H new ATOM 0 HD23 LEU A 52 7.692 1.028 -5.359 1.00 42.11 H new ATOM 830 N ARG A 53 2.618 2.305 -5.525 1.00 35.32 N ATOM 831 CA ARG A 53 1.489 3.249 -5.564 1.00 70.03 C ATOM 832 C ARG A 53 1.316 3.933 -4.199 1.00 3.21 C ATOM 833 O ARG A 53 1.140 5.147 -4.130 1.00 3.24 O ATOM 834 CB ARG A 53 0.182 2.505 -5.958 1.00 32.00 C ATOM 835 CG ARG A 53 0.195 1.869 -7.364 1.00 73.34 C ATOM 836 CD ARG A 53 -1.018 0.948 -7.611 1.00 63.30 C ATOM 837 NE ARG A 53 -0.936 0.224 -8.893 1.00 22.31 N ATOM 838 CZ ARG A 53 -1.918 -0.536 -9.412 1.00 30.10 C ATOM 839 NH1 ARG A 53 -3.082 -0.689 -8.757 1.00 23.33 N ATOM 840 NH2 ARG A 53 -1.736 -1.155 -10.579 1.00 65.22 N ATOM 0 H ARG A 53 2.339 1.335 -5.671 1.00 35.32 H new ATOM 0 HA ARG A 53 1.700 4.013 -6.313 1.00 70.03 H new ATOM 0 HB2 ARG A 53 -0.009 1.723 -5.223 1.00 32.00 H new ATOM 0 HB3 ARG A 53 -0.650 3.207 -5.900 1.00 32.00 H new ATOM 0 HG2 ARG A 53 0.206 2.658 -8.116 1.00 73.34 H new ATOM 0 HG3 ARG A 53 1.113 1.296 -7.491 1.00 73.34 H new ATOM 0 HD2 ARG A 53 -1.093 0.227 -6.797 1.00 63.30 H new ATOM 0 HD3 ARG A 53 -1.930 1.544 -7.594 1.00 63.30 H new ATOM 0 HE ARG A 53 -0.070 0.305 -9.426 1.00 22.31 H new ATOM 0 HH11 ARG A 53 -3.226 -0.227 -7.859 1.00 23.33 H new ATOM 0 HH12 ARG A 53 -3.821 -1.267 -9.158 1.00 23.33 H new ATOM 0 HH21 ARG A 53 -0.853 -1.053 -11.078 1.00 65.22 H new ATOM 0 HH22 ARG A 53 -2.480 -1.731 -10.972 1.00 65.22 H new ATOM 854 N ALA A 54 1.414 3.126 -3.122 1.00 3.04 N ATOM 855 CA ALA A 54 1.305 3.611 -1.738 1.00 23.05 C ATOM 856 C ALA A 54 2.385 4.648 -1.429 1.00 13.22 C ATOM 857 O ALA A 54 2.087 5.734 -0.922 1.00 44.01 O ATOM 858 CB ALA A 54 1.433 2.442 -0.765 1.00 60.52 C ATOM 0 H ALA A 54 1.571 2.121 -3.192 1.00 3.04 H new ATOM 0 HA ALA A 54 0.329 4.082 -1.623 1.00 23.05 H new ATOM 0 HB1 ALA A 54 1.351 2.809 0.258 1.00 60.52 H new ATOM 0 HB2 ALA A 54 0.638 1.721 -0.956 1.00 60.52 H new ATOM 0 HB3 ALA A 54 2.401 1.960 -0.901 1.00 60.52 H new ATOM 864 N LYS A 55 3.633 4.284 -1.793 1.00 15.35 N ATOM 865 CA LYS A 55 4.828 5.092 -1.541 1.00 15.34 C ATOM 866 C LYS A 55 4.787 6.385 -2.364 1.00 33.30 C ATOM 867 O LYS A 55 5.200 7.432 -1.891 1.00 52.40 O ATOM 868 CB LYS A 55 6.107 4.286 -1.906 1.00 25.32 C ATOM 869 CG LYS A 55 7.393 4.817 -1.240 1.00 12.43 C ATOM 870 CD LYS A 55 8.689 4.283 -1.878 1.00 62.24 C ATOM 871 CE LYS A 55 8.946 4.916 -3.252 1.00 42.00 C ATOM 872 NZ LYS A 55 9.122 6.392 -3.151 1.00 31.44 N ATOM 0 H LYS A 55 3.833 3.408 -2.276 1.00 15.35 H new ATOM 0 HA LYS A 55 4.851 5.347 -0.481 1.00 15.34 H new ATOM 0 HB2 LYS A 55 5.963 3.245 -1.617 1.00 25.32 H new ATOM 0 HB3 LYS A 55 6.237 4.301 -2.988 1.00 25.32 H new ATOM 0 HG2 LYS A 55 7.395 5.906 -1.292 1.00 12.43 H new ATOM 0 HG3 LYS A 55 7.382 4.548 -0.184 1.00 12.43 H new ATOM 0 HD2 LYS A 55 9.532 4.490 -1.218 1.00 62.24 H new ATOM 0 HD3 LYS A 55 8.624 3.200 -1.982 1.00 62.24 H new ATOM 0 HE2 LYS A 55 9.837 4.472 -3.697 1.00 42.00 H new ATOM 0 HE3 LYS A 55 8.112 4.693 -3.918 1.00 42.00 H new ATOM 0 HZ1 LYS A 55 9.906 6.691 -3.766 1.00 31.44 H new ATOM 0 HZ2 LYS A 55 8.247 6.867 -3.450 1.00 31.44 H new ATOM 0 HZ3 LYS A 55 9.337 6.649 -2.167 1.00 31.44 H new ATOM 886 N LYS A 56 4.250 6.265 -3.596 1.00 13.42 N ATOM 887 CA LYS A 56 4.117 7.370 -4.562 1.00 3.52 C ATOM 888 C LYS A 56 3.209 8.477 -4.007 1.00 12.33 C ATOM 889 O LYS A 56 3.520 9.672 -4.122 1.00 5.15 O ATOM 890 CB LYS A 56 3.555 6.811 -5.901 1.00 65.43 C ATOM 891 CG LYS A 56 3.469 7.813 -7.071 1.00 2.30 C ATOM 892 CD LYS A 56 2.908 7.165 -8.359 1.00 10.34 C ATOM 893 CE LYS A 56 2.935 8.108 -9.577 1.00 32.33 C ATOM 894 NZ LYS A 56 2.107 9.326 -9.375 1.00 41.14 N ATOM 0 H LYS A 56 3.890 5.379 -3.952 1.00 13.42 H new ATOM 0 HA LYS A 56 5.098 7.811 -4.740 1.00 3.52 H new ATOM 0 HB2 LYS A 56 4.179 5.973 -6.212 1.00 65.43 H new ATOM 0 HB3 LYS A 56 2.557 6.414 -5.715 1.00 65.43 H new ATOM 0 HG2 LYS A 56 2.835 8.651 -6.783 1.00 2.30 H new ATOM 0 HG3 LYS A 56 4.460 8.218 -7.273 1.00 2.30 H new ATOM 0 HD2 LYS A 56 3.486 6.270 -8.588 1.00 10.34 H new ATOM 0 HD3 LYS A 56 1.882 6.845 -8.179 1.00 10.34 H new ATOM 0 HE2 LYS A 56 3.964 8.403 -9.781 1.00 32.33 H new ATOM 0 HE3 LYS A 56 2.577 7.571 -10.456 1.00 32.33 H new ATOM 0 HZ1 LYS A 56 2.160 9.926 -10.223 1.00 41.14 H new ATOM 0 HZ2 LYS A 56 1.119 9.050 -9.207 1.00 41.14 H new ATOM 0 HZ3 LYS A 56 2.463 9.855 -8.554 1.00 41.14 H new ATOM 908 N VAL A 57 2.105 8.058 -3.367 1.00 4.21 N ATOM 909 CA VAL A 57 1.152 8.980 -2.739 1.00 12.34 C ATOM 910 C VAL A 57 1.749 9.561 -1.432 1.00 53.53 C ATOM 911 O VAL A 57 1.550 10.738 -1.133 1.00 31.31 O ATOM 912 CB VAL A 57 -0.224 8.278 -2.455 1.00 34.33 C ATOM 913 CG1 VAL A 57 -1.261 9.271 -1.902 1.00 54.01 C ATOM 914 CG2 VAL A 57 -0.780 7.582 -3.717 1.00 21.30 C ATOM 0 H VAL A 57 1.851 7.075 -3.272 1.00 4.21 H new ATOM 0 HA VAL A 57 0.967 9.798 -3.435 1.00 12.34 H new ATOM 0 HB VAL A 57 -0.037 7.517 -1.698 1.00 34.33 H new ATOM 0 HG11 VAL A 57 -2.201 8.751 -1.717 1.00 54.01 H new ATOM 0 HG12 VAL A 57 -0.894 9.699 -0.969 1.00 54.01 H new ATOM 0 HG13 VAL A 57 -1.424 10.068 -2.627 1.00 54.01 H new ATOM 0 HG21 VAL A 57 -1.733 7.108 -3.481 1.00 21.30 H new ATOM 0 HG22 VAL A 57 -0.928 8.321 -4.505 1.00 21.30 H new ATOM 0 HG23 VAL A 57 -0.073 6.826 -4.057 1.00 21.30 H new ATOM 924 N PHE A 58 2.501 8.720 -0.678 1.00 61.13 N ATOM 925 CA PHE A 58 3.251 9.154 0.525 1.00 11.33 C ATOM 926 C PHE A 58 4.291 10.247 0.186 1.00 34.24 C ATOM 927 O PHE A 58 4.501 11.174 0.973 1.00 45.41 O ATOM 928 CB PHE A 58 3.959 7.952 1.220 1.00 44.25 C ATOM 929 CG PHE A 58 3.058 7.002 2.023 1.00 34.11 C ATOM 930 CD1 PHE A 58 2.025 7.493 2.824 1.00 64.01 C ATOM 931 CD2 PHE A 58 3.277 5.616 2.009 1.00 60.04 C ATOM 932 CE1 PHE A 58 1.248 6.638 3.578 1.00 2.13 C ATOM 933 CE2 PHE A 58 2.498 4.763 2.773 1.00 41.30 C ATOM 934 CZ PHE A 58 1.486 5.274 3.553 1.00 44.52 C ATOM 0 H PHE A 58 2.603 7.727 -0.887 1.00 61.13 H new ATOM 0 HA PHE A 58 2.519 9.575 1.214 1.00 11.33 H new ATOM 0 HB2 PHE A 58 4.474 7.370 0.456 1.00 44.25 H new ATOM 0 HB3 PHE A 58 4.723 8.346 1.890 1.00 44.25 H new ATOM 0 HD1 PHE A 58 1.832 8.555 2.854 1.00 64.01 H new ATOM 0 HD2 PHE A 58 4.065 5.208 1.393 1.00 60.04 H new ATOM 0 HE1 PHE A 58 0.451 7.034 4.190 1.00 2.13 H new ATOM 0 HE2 PHE A 58 2.684 3.699 2.757 1.00 41.30 H new ATOM 0 HZ PHE A 58 0.876 4.610 4.147 1.00 44.52 H new ATOM 944 N ASP A 59 4.922 10.123 -0.997 1.00 12.34 N ATOM 945 CA ASP A 59 5.914 11.105 -1.492 1.00 14.20 C ATOM 946 C ASP A 59 5.245 12.470 -1.746 1.00 15.11 C ATOM 947 O ASP A 59 5.825 13.527 -1.466 1.00 75.22 O ATOM 948 CB ASP A 59 6.589 10.614 -2.807 1.00 1.14 C ATOM 949 CG ASP A 59 7.404 9.302 -2.703 1.00 42.23 C ATOM 950 OD1 ASP A 59 8.059 9.053 -1.664 1.00 1.32 O ATOM 951 OD2 ASP A 59 7.399 8.513 -3.683 1.00 42.02 O ATOM 0 H ASP A 59 4.762 9.344 -1.636 1.00 12.34 H new ATOM 0 HA ASP A 59 6.679 11.211 -0.722 1.00 14.20 H new ATOM 0 HB2 ASP A 59 5.814 10.478 -3.561 1.00 1.14 H new ATOM 0 HB3 ASP A 59 7.250 11.401 -3.168 1.00 1.14 H new ATOM 956 N ALA A 60 4.010 12.425 -2.288 1.00 33.32 N ATOM 957 CA ALA A 60 3.202 13.621 -2.587 1.00 73.34 C ATOM 958 C ALA A 60 2.729 14.306 -1.289 1.00 23.43 C ATOM 959 O ALA A 60 2.684 15.540 -1.208 1.00 75.01 O ATOM 960 CB ALA A 60 2.011 13.234 -3.480 1.00 73.32 C ATOM 0 H ALA A 60 3.544 11.551 -2.531 1.00 33.32 H new ATOM 0 HA ALA A 60 3.820 14.339 -3.125 1.00 73.34 H new ATOM 0 HB1 ALA A 60 1.417 14.121 -3.698 1.00 73.32 H new ATOM 0 HB2 ALA A 60 2.379 12.805 -4.412 1.00 73.32 H new ATOM 0 HB3 ALA A 60 1.392 12.501 -2.963 1.00 73.32 H new ATOM 966 N GLU A 61 2.397 13.481 -0.281 1.00 14.34 N ATOM 967 CA GLU A 61 1.994 13.951 1.062 1.00 74.32 C ATOM 968 C GLU A 61 3.209 14.426 1.885 1.00 55.34 C ATOM 969 O GLU A 61 3.032 15.081 2.914 1.00 42.35 O ATOM 970 CB GLU A 61 1.273 12.809 1.826 1.00 30.01 C ATOM 971 CG GLU A 61 -0.056 12.368 1.202 1.00 22.33 C ATOM 972 CD GLU A 61 -1.166 13.433 1.312 1.00 62.03 C ATOM 973 OE1 GLU A 61 -1.885 13.457 2.341 1.00 23.44 O ATOM 974 OE2 GLU A 61 -1.328 14.252 0.384 1.00 14.32 O ATOM 0 H GLU A 61 2.400 12.465 -0.372 1.00 14.34 H new ATOM 0 HA GLU A 61 1.319 14.796 0.928 1.00 74.32 H new ATOM 0 HB2 GLU A 61 1.939 11.948 1.879 1.00 30.01 H new ATOM 0 HB3 GLU A 61 1.089 13.133 2.850 1.00 30.01 H new ATOM 0 HG2 GLU A 61 0.106 12.129 0.151 1.00 22.33 H new ATOM 0 HG3 GLU A 61 -0.392 11.452 1.689 1.00 22.33 H new ATOM 981 N HIS A 62 4.421 14.070 1.402 1.00 50.11 N ATOM 982 CA HIS A 62 5.704 14.296 2.093 1.00 21.43 C ATOM 983 C HIS A 62 5.819 13.440 3.369 1.00 4.42 C ATOM 984 O HIS A 62 6.649 13.730 4.239 1.00 61.23 O ATOM 985 CB HIS A 62 5.960 15.806 2.370 1.00 74.54 C ATOM 986 CG HIS A 62 5.990 16.670 1.127 1.00 65.23 C ATOM 987 ND1 HIS A 62 5.224 17.809 0.975 1.00 4.55 N ATOM 988 CD2 HIS A 62 6.696 16.550 -0.022 1.00 74.53 C ATOM 989 CE1 HIS A 62 5.482 18.356 -0.194 1.00 33.20 C ATOM 990 NE2 HIS A 62 6.364 17.610 -0.818 1.00 43.43 N ATOM 0 H HIS A 62 4.533 13.607 0.500 1.00 50.11 H new ATOM 0 HA HIS A 62 6.495 13.968 1.419 1.00 21.43 H new ATOM 0 HB2 HIS A 62 5.183 16.178 3.038 1.00 74.54 H new ATOM 0 HB3 HIS A 62 6.909 15.911 2.895 1.00 74.54 H new ATOM 0 HD2 HIS A 62 7.393 15.762 -0.265 1.00 74.53 H new ATOM 0 HE1 HIS A 62 5.042 19.266 -0.576 1.00 33.20 H new ATOM 0 HE2 HIS A 62 6.741 17.792 -1.748 1.00 43.43 H new ATOM 999 N ASP A 63 5.020 12.344 3.437 1.00 20.03 N ATOM 1000 CA ASP A 63 5.105 11.356 4.515 1.00 1.43 C ATOM 1001 C ASP A 63 6.272 10.409 4.196 1.00 21.14 C ATOM 1002 O ASP A 63 6.101 9.335 3.613 1.00 31.21 O ATOM 1003 CB ASP A 63 3.762 10.587 4.716 1.00 72.44 C ATOM 1004 CG ASP A 63 3.803 9.520 5.846 1.00 2.44 C ATOM 1005 OD1 ASP A 63 4.549 9.700 6.840 1.00 63.10 O ATOM 1006 OD2 ASP A 63 3.080 8.512 5.766 1.00 74.54 O ATOM 0 H ASP A 63 4.304 12.131 2.742 1.00 20.03 H new ATOM 0 HA ASP A 63 5.290 11.862 5.463 1.00 1.43 H new ATOM 0 HB2 ASP A 63 2.974 11.306 4.939 1.00 72.44 H new ATOM 0 HB3 ASP A 63 3.492 10.099 3.780 1.00 72.44 H new ATOM 1011 N THR A 64 7.482 10.883 4.544 1.00 13.41 N ATOM 1012 CA THR A 64 8.727 10.149 4.326 1.00 22.23 C ATOM 1013 C THR A 64 8.793 8.889 5.208 1.00 60.35 C ATOM 1014 O THR A 64 9.359 7.888 4.791 1.00 44.01 O ATOM 1015 CB THR A 64 9.984 11.062 4.557 1.00 73.33 C ATOM 1016 OG1 THR A 64 11.200 10.332 4.299 1.00 31.34 O ATOM 1017 CG2 THR A 64 10.033 11.650 5.977 1.00 10.13 C ATOM 0 H THR A 64 7.617 11.792 4.987 1.00 13.41 H new ATOM 0 HA THR A 64 8.737 9.831 3.283 1.00 22.23 H new ATOM 0 HB THR A 64 9.896 11.891 3.855 1.00 73.33 H new ATOM 0 HG1 THR A 64 11.931 10.963 4.132 1.00 31.34 H new ATOM 0 HG21 THR A 64 10.921 12.273 6.083 1.00 10.13 H new ATOM 0 HG22 THR A 64 9.143 12.255 6.151 1.00 10.13 H new ATOM 0 HG23 THR A 64 10.069 10.840 6.705 1.00 10.13 H new ATOM 1025 N ASP A 65 8.148 8.937 6.391 1.00 53.32 N ATOM 1026 CA ASP A 65 8.133 7.809 7.341 1.00 73.15 C ATOM 1027 C ASP A 65 7.349 6.618 6.751 1.00 74.22 C ATOM 1028 O ASP A 65 7.851 5.484 6.723 1.00 34.52 O ATOM 1029 CB ASP A 65 7.516 8.269 8.686 1.00 12.11 C ATOM 1030 CG ASP A 65 7.627 7.206 9.788 1.00 12.21 C ATOM 1031 OD1 ASP A 65 8.679 7.136 10.456 1.00 62.51 O ATOM 1032 OD2 ASP A 65 6.675 6.421 9.984 1.00 51.25 O ATOM 0 H ASP A 65 7.627 9.753 6.712 1.00 53.32 H new ATOM 0 HA ASP A 65 9.156 7.478 7.522 1.00 73.15 H new ATOM 0 HB2 ASP A 65 8.014 9.181 9.016 1.00 12.11 H new ATOM 0 HB3 ASP A 65 6.466 8.518 8.532 1.00 12.11 H new ATOM 1037 N GLY A 66 6.131 6.906 6.246 1.00 4.41 N ATOM 1038 CA GLY A 66 5.306 5.899 5.587 1.00 0.15 C ATOM 1039 C GLY A 66 5.928 5.372 4.304 1.00 55.21 C ATOM 1040 O GLY A 66 5.820 4.177 4.014 1.00 31.20 O ATOM 0 H GLY A 66 5.706 7.832 6.287 1.00 4.41 H new ATOM 0 HA2 GLY A 66 5.140 5.068 6.272 1.00 0.15 H new ATOM 0 HA3 GLY A 66 4.329 6.327 5.362 1.00 0.15 H new ATOM 1044 N ALA A 67 6.605 6.268 3.550 1.00 12.25 N ATOM 1045 CA ALA A 67 7.262 5.919 2.279 1.00 24.01 C ATOM 1046 C ALA A 67 8.438 4.938 2.475 1.00 33.03 C ATOM 1047 O ALA A 67 8.588 3.982 1.704 1.00 42.11 O ATOM 1048 CB ALA A 67 7.736 7.182 1.558 1.00 32.24 C ATOM 0 H ALA A 67 6.708 7.249 3.808 1.00 12.25 H new ATOM 0 HA ALA A 67 6.519 5.412 1.663 1.00 24.01 H new ATOM 0 HB1 ALA A 67 8.219 6.906 0.621 1.00 32.24 H new ATOM 0 HB2 ALA A 67 6.881 7.825 1.350 1.00 32.24 H new ATOM 0 HB3 ALA A 67 8.446 7.716 2.189 1.00 32.24 H new ATOM 1054 N ARG A 68 9.253 5.180 3.518 1.00 64.25 N ATOM 1055 CA ARG A 68 10.386 4.296 3.869 1.00 35.42 C ATOM 1056 C ARG A 68 9.881 2.915 4.318 1.00 64.01 C ATOM 1057 O ARG A 68 10.516 1.902 4.054 1.00 5.51 O ATOM 1058 CB ARG A 68 11.238 4.920 5.003 1.00 41.15 C ATOM 1059 CG ARG A 68 11.936 6.247 4.641 1.00 61.10 C ATOM 1060 CD ARG A 68 12.568 6.918 5.870 1.00 20.12 C ATOM 1061 NE ARG A 68 12.994 8.299 5.597 1.00 75.45 N ATOM 1062 CZ ARG A 68 13.422 9.170 6.520 1.00 33.41 C ATOM 1063 NH1 ARG A 68 13.512 8.820 7.806 1.00 34.02 N ATOM 1064 NH2 ARG A 68 13.749 10.399 6.154 1.00 20.45 N ATOM 0 H ARG A 68 9.149 5.984 4.137 1.00 64.25 H new ATOM 0 HA ARG A 68 11.003 4.180 2.978 1.00 35.42 H new ATOM 0 HB2 ARG A 68 10.596 5.089 5.868 1.00 41.15 H new ATOM 0 HB3 ARG A 68 11.997 4.199 5.305 1.00 41.15 H new ATOM 0 HG2 ARG A 68 12.707 6.059 3.894 1.00 61.10 H new ATOM 0 HG3 ARG A 68 11.213 6.926 4.189 1.00 61.10 H new ATOM 0 HD2 ARG A 68 11.850 6.917 6.690 1.00 20.12 H new ATOM 0 HD3 ARG A 68 13.428 6.333 6.198 1.00 20.12 H new ATOM 0 HE ARG A 68 12.961 8.618 4.629 1.00 75.45 H new ATOM 0 HH11 ARG A 68 13.253 7.877 8.097 1.00 34.02 H new ATOM 0 HH12 ARG A 68 13.840 9.495 8.497 1.00 34.02 H new ATOM 0 HH21 ARG A 68 13.674 10.677 5.175 1.00 20.45 H new ATOM 0 HH22 ARG A 68 14.076 11.069 6.851 1.00 20.45 H new ATOM 1078 N ARG A 69 8.723 2.915 5.003 1.00 55.52 N ATOM 1079 CA ARG A 69 8.063 1.696 5.496 1.00 1.30 C ATOM 1080 C ARG A 69 7.485 0.879 4.314 1.00 32.54 C ATOM 1081 O ARG A 69 7.504 -0.356 4.335 1.00 65.30 O ATOM 1082 CB ARG A 69 6.957 2.101 6.508 1.00 70.13 C ATOM 1083 CG ARG A 69 6.217 0.926 7.192 1.00 24.43 C ATOM 1084 CD ARG A 69 5.102 1.403 8.140 1.00 12.42 C ATOM 1085 NE ARG A 69 4.156 2.322 7.476 1.00 34.23 N ATOM 1086 CZ ARG A 69 2.817 2.270 7.562 1.00 60.25 C ATOM 1087 NH1 ARG A 69 2.208 1.342 8.303 1.00 30.31 N ATOM 1088 NH2 ARG A 69 2.088 3.144 6.892 1.00 53.02 N ATOM 0 H ARG A 69 8.216 3.770 5.231 1.00 55.52 H new ATOM 0 HA ARG A 69 8.786 1.058 6.003 1.00 1.30 H new ATOM 0 HB2 ARG A 69 7.407 2.724 7.281 1.00 70.13 H new ATOM 0 HB3 ARG A 69 6.223 2.717 5.990 1.00 70.13 H new ATOM 0 HG2 ARG A 69 5.787 0.278 6.428 1.00 24.43 H new ATOM 0 HG3 ARG A 69 6.934 0.326 7.753 1.00 24.43 H new ATOM 0 HD2 ARG A 69 4.558 0.539 8.521 1.00 12.42 H new ATOM 0 HD3 ARG A 69 5.548 1.903 8.999 1.00 12.42 H new ATOM 0 HE ARG A 69 4.556 3.063 6.900 1.00 34.23 H new ATOM 0 HH11 ARG A 69 2.761 0.656 8.817 1.00 30.31 H new ATOM 0 HH12 ARG A 69 1.190 1.319 8.356 1.00 30.31 H new ATOM 0 HH21 ARG A 69 2.543 3.851 6.315 1.00 53.02 H new ATOM 0 HH22 ARG A 69 1.070 3.112 6.952 1.00 53.02 H new ATOM 1102 N ALA A 70 7.007 1.600 3.270 1.00 14.11 N ATOM 1103 CA ALA A 70 6.496 0.988 2.024 1.00 3.10 C ATOM 1104 C ALA A 70 7.646 0.382 1.209 1.00 14.14 C ATOM 1105 O ALA A 70 7.511 -0.711 0.649 1.00 53.34 O ATOM 1106 CB ALA A 70 5.716 2.025 1.197 1.00 22.33 C ATOM 0 H ALA A 70 6.966 2.619 3.270 1.00 14.11 H new ATOM 0 HA ALA A 70 5.811 0.182 2.287 1.00 3.10 H new ATOM 0 HB1 ALA A 70 5.347 1.559 0.284 1.00 22.33 H new ATOM 0 HB2 ALA A 70 4.874 2.397 1.781 1.00 22.33 H new ATOM 0 HB3 ALA A 70 6.374 2.855 0.940 1.00 22.33 H new ATOM 1112 N ALA A 71 8.785 1.101 1.201 1.00 62.52 N ATOM 1113 CA ALA A 71 10.016 0.679 0.522 1.00 62.52 C ATOM 1114 C ALA A 71 10.721 -0.454 1.285 1.00 50.02 C ATOM 1115 O ALA A 71 11.467 -1.236 0.688 1.00 4.43 O ATOM 1116 CB ALA A 71 10.948 1.877 0.333 1.00 3.52 C ATOM 0 H ALA A 71 8.873 2.001 1.673 1.00 62.52 H new ATOM 0 HA ALA A 71 9.747 0.287 -0.459 1.00 62.52 H new ATOM 0 HB1 ALA A 71 11.858 1.554 -0.172 1.00 3.52 H new ATOM 0 HB2 ALA A 71 10.448 2.635 -0.270 1.00 3.52 H new ATOM 0 HB3 ALA A 71 11.202 2.297 1.306 1.00 3.52 H new ATOM 1122 N LYS A 72 10.498 -0.521 2.613 1.00 32.13 N ATOM 1123 CA LYS A 72 11.059 -1.585 3.470 1.00 34.43 C ATOM 1124 C LYS A 72 10.324 -2.910 3.172 1.00 5.14 C ATOM 1125 O LYS A 72 10.947 -3.967 3.053 1.00 43.04 O ATOM 1126 CB LYS A 72 10.937 -1.192 4.984 1.00 44.03 C ATOM 1127 CG LYS A 72 12.089 -1.687 5.904 1.00 42.10 C ATOM 1128 CD LYS A 72 12.207 -3.222 6.035 1.00 70.43 C ATOM 1129 CE LYS A 72 10.980 -3.848 6.699 1.00 10.32 C ATOM 1130 NZ LYS A 72 11.106 -5.320 6.770 1.00 2.32 N ATOM 0 H LYS A 72 9.928 0.156 3.119 1.00 32.13 H new ATOM 0 HA LYS A 72 12.119 -1.713 3.252 1.00 34.43 H new ATOM 0 HB2 LYS A 72 10.881 -0.106 5.055 1.00 44.03 H new ATOM 0 HB3 LYS A 72 9.996 -1.585 5.368 1.00 44.03 H new ATOM 0 HG2 LYS A 72 13.032 -1.297 5.522 1.00 42.10 H new ATOM 0 HG3 LYS A 72 11.948 -1.262 6.898 1.00 42.10 H new ATOM 0 HD2 LYS A 72 12.343 -3.659 5.046 1.00 70.43 H new ATOM 0 HD3 LYS A 72 13.096 -3.467 6.617 1.00 70.43 H new ATOM 0 HE2 LYS A 72 10.859 -3.441 7.703 1.00 10.32 H new ATOM 0 HE3 LYS A 72 10.084 -3.583 6.138 1.00 10.32 H new ATOM 0 HZ1 LYS A 72 10.278 -5.761 6.321 1.00 2.32 H new ATOM 0 HZ2 LYS A 72 11.970 -5.619 6.274 1.00 2.32 H new ATOM 0 HZ3 LYS A 72 11.158 -5.616 7.766 1.00 2.32 H new ATOM 1144 N SER A 73 8.989 -2.824 3.051 1.00 53.25 N ATOM 1145 CA SER A 73 8.132 -3.956 2.663 1.00 43.02 C ATOM 1146 C SER A 73 8.387 -4.389 1.202 1.00 34.44 C ATOM 1147 O SER A 73 8.218 -5.565 0.857 1.00 21.33 O ATOM 1148 CB SER A 73 6.665 -3.565 2.878 1.00 61.42 C ATOM 1149 OG SER A 73 6.435 -3.195 4.226 1.00 20.45 O ATOM 0 H SER A 73 8.471 -1.962 3.221 1.00 53.25 H new ATOM 0 HA SER A 73 8.374 -4.815 3.289 1.00 43.02 H new ATOM 0 HB2 SER A 73 6.405 -2.736 2.219 1.00 61.42 H new ATOM 0 HB3 SER A 73 6.018 -4.401 2.610 1.00 61.42 H new ATOM 0 HG SER A 73 6.794 -2.297 4.385 1.00 20.45 H new ATOM 1155 N LEU A 74 8.781 -3.409 0.358 1.00 2.24 N ATOM 1156 CA LEU A 74 9.280 -3.663 -1.003 1.00 50.41 C ATOM 1157 C LEU A 74 10.541 -4.533 -0.964 1.00 55.13 C ATOM 1158 O LEU A 74 10.636 -5.492 -1.711 1.00 62.53 O ATOM 1159 CB LEU A 74 9.568 -2.319 -1.752 1.00 53.43 C ATOM 1160 CG LEU A 74 8.348 -1.684 -2.472 1.00 61.42 C ATOM 1161 CD1 LEU A 74 8.628 -0.250 -2.947 1.00 75.34 C ATOM 1162 CD2 LEU A 74 7.917 -2.569 -3.652 1.00 42.04 C ATOM 0 H LEU A 74 8.760 -2.420 0.606 1.00 2.24 H new ATOM 0 HA LEU A 74 8.506 -4.201 -1.550 1.00 50.41 H new ATOM 0 HB2 LEU A 74 9.960 -1.599 -1.034 1.00 53.43 H new ATOM 0 HB3 LEU A 74 10.353 -2.494 -2.488 1.00 53.43 H new ATOM 0 HG LEU A 74 7.536 -1.623 -1.748 1.00 61.42 H new ATOM 0 HD11 LEU A 74 7.743 0.148 -3.444 1.00 75.34 H new ATOM 0 HD12 LEU A 74 8.875 0.376 -2.089 1.00 75.34 H new ATOM 0 HD13 LEU A 74 9.465 -0.255 -3.645 1.00 75.34 H new ATOM 0 HD21 LEU A 74 7.061 -2.117 -4.152 1.00 42.04 H new ATOM 0 HD22 LEU A 74 8.742 -2.661 -4.358 1.00 42.04 H new ATOM 0 HD23 LEU A 74 7.642 -3.557 -3.284 1.00 42.04 H new ATOM 1174 N SER A 75 11.482 -4.195 -0.055 1.00 75.15 N ATOM 1175 CA SER A 75 12.749 -4.939 0.112 1.00 42.43 C ATOM 1176 C SER A 75 12.497 -6.428 0.414 1.00 34.42 C ATOM 1177 O SER A 75 13.230 -7.297 -0.068 1.00 1.33 O ATOM 1178 CB SER A 75 13.584 -4.303 1.241 1.00 70.22 C ATOM 1179 OG SER A 75 13.793 -2.923 0.992 1.00 71.25 O ATOM 0 H SER A 75 11.385 -3.403 0.580 1.00 75.15 H new ATOM 0 HA SER A 75 13.300 -4.880 -0.827 1.00 42.43 H new ATOM 0 HB2 SER A 75 13.073 -4.432 2.195 1.00 70.22 H new ATOM 0 HB3 SER A 75 14.544 -4.813 1.322 1.00 70.22 H new ATOM 0 HG SER A 75 12.941 -2.444 1.067 1.00 71.25 H new ATOM 1185 N GLU A 76 11.428 -6.687 1.192 1.00 2.42 N ATOM 1186 CA GLU A 76 10.984 -8.046 1.529 1.00 33.51 C ATOM 1187 C GLU A 76 10.385 -8.745 0.298 1.00 3.12 C ATOM 1188 O GLU A 76 10.653 -9.918 0.051 1.00 62.13 O ATOM 1189 CB GLU A 76 9.944 -8.010 2.677 1.00 73.20 C ATOM 1190 CG GLU A 76 10.371 -7.178 3.901 1.00 52.14 C ATOM 1191 CD GLU A 76 11.764 -7.541 4.452 1.00 22.42 C ATOM 1192 OE1 GLU A 76 11.936 -8.663 4.969 1.00 0.12 O ATOM 1193 OE2 GLU A 76 12.679 -6.689 4.407 1.00 15.10 O ATOM 0 H GLU A 76 10.849 -5.955 1.604 1.00 2.42 H new ATOM 0 HA GLU A 76 11.854 -8.612 1.861 1.00 33.51 H new ATOM 0 HB2 GLU A 76 9.008 -7.608 2.289 1.00 73.20 H new ATOM 0 HB3 GLU A 76 9.743 -9.031 3.000 1.00 73.20 H new ATOM 0 HG2 GLU A 76 10.363 -6.122 3.630 1.00 52.14 H new ATOM 0 HG3 GLU A 76 9.633 -7.310 4.692 1.00 52.14 H new ATOM 1200 N ALA A 77 9.591 -7.991 -0.475 1.00 45.22 N ATOM 1201 CA ALA A 77 8.897 -8.502 -1.663 1.00 24.03 C ATOM 1202 C ALA A 77 9.877 -8.852 -2.801 1.00 1.22 C ATOM 1203 O ALA A 77 9.716 -9.884 -3.472 1.00 63.52 O ATOM 1204 CB ALA A 77 7.851 -7.477 -2.113 1.00 40.54 C ATOM 0 H ALA A 77 9.412 -7.004 -0.292 1.00 45.22 H new ATOM 0 HA ALA A 77 8.395 -9.434 -1.401 1.00 24.03 H new ATOM 0 HB1 ALA A 77 7.332 -7.851 -2.995 1.00 40.54 H new ATOM 0 HB2 ALA A 77 7.132 -7.315 -1.310 1.00 40.54 H new ATOM 0 HB3 ALA A 77 8.344 -6.535 -2.354 1.00 40.54 H new ATOM 1210 N TYR A 78 10.913 -8.016 -2.976 1.00 32.13 N ATOM 1211 CA TYR A 78 11.949 -8.218 -4.008 1.00 42.03 C ATOM 1212 C TYR A 78 12.765 -9.506 -3.752 1.00 35.11 C ATOM 1213 O TYR A 78 13.344 -10.053 -4.682 1.00 14.52 O ATOM 1214 CB TYR A 78 12.894 -6.985 -4.104 1.00 71.53 C ATOM 1215 CG TYR A 78 12.261 -5.726 -4.736 1.00 74.14 C ATOM 1216 CD1 TYR A 78 11.685 -5.768 -6.006 1.00 14.34 C ATOM 1217 CD2 TYR A 78 12.235 -4.502 -4.059 1.00 43.02 C ATOM 1218 CE1 TYR A 78 11.107 -4.638 -6.566 1.00 50.13 C ATOM 1219 CE2 TYR A 78 11.657 -3.381 -4.614 1.00 42.33 C ATOM 1220 CZ TYR A 78 11.095 -3.453 -5.866 1.00 3.10 C ATOM 1221 OH TYR A 78 10.495 -2.336 -6.411 1.00 3.03 O ATOM 0 H TYR A 78 11.058 -7.181 -2.408 1.00 32.13 H new ATOM 0 HA TYR A 78 11.434 -8.332 -4.962 1.00 42.03 H new ATOM 0 HB2 TYR A 78 13.243 -6.734 -3.102 1.00 71.53 H new ATOM 0 HB3 TYR A 78 13.772 -7.263 -4.687 1.00 71.53 H new ATOM 0 HD1 TYR A 78 11.689 -6.694 -6.562 1.00 14.34 H new ATOM 0 HD2 TYR A 78 12.679 -4.434 -3.077 1.00 43.02 H new ATOM 0 HE1 TYR A 78 10.667 -4.688 -7.551 1.00 50.13 H new ATOM 0 HE2 TYR A 78 11.646 -2.450 -4.067 1.00 42.33 H new ATOM 0 HH TYR A 78 10.574 -1.585 -5.787 1.00 3.03 H new ATOM 1231 N GLN A 79 12.801 -9.971 -2.486 1.00 33.14 N ATOM 1232 CA GLN A 79 13.465 -11.241 -2.111 1.00 25.51 C ATOM 1233 C GLN A 79 12.827 -12.445 -2.840 1.00 23.21 C ATOM 1234 O GLN A 79 13.535 -13.305 -3.361 1.00 34.25 O ATOM 1235 CB GLN A 79 13.393 -11.448 -0.572 1.00 13.54 C ATOM 1236 CG GLN A 79 14.147 -10.390 0.264 1.00 64.30 C ATOM 1237 CD GLN A 79 13.856 -10.465 1.770 1.00 35.11 C ATOM 1238 OE1 GLN A 79 13.556 -11.530 2.319 1.00 11.41 O ATOM 1239 NE2 GLN A 79 13.945 -9.334 2.458 1.00 24.10 N ATOM 0 H GLN A 79 12.375 -9.482 -1.699 1.00 33.14 H new ATOM 0 HA GLN A 79 14.509 -11.178 -2.416 1.00 25.51 H new ATOM 0 HB2 GLN A 79 12.346 -11.450 -0.269 1.00 13.54 H new ATOM 0 HB3 GLN A 79 13.796 -12.432 -0.333 1.00 13.54 H new ATOM 0 HG2 GLN A 79 15.218 -10.511 0.104 1.00 64.30 H new ATOM 0 HG3 GLN A 79 13.881 -9.397 -0.099 1.00 64.30 H new ATOM 0 HE21 GLN A 79 14.194 -8.466 1.983 1.00 24.10 H new ATOM 0 HE22 GLN A 79 13.764 -9.332 3.462 1.00 24.10 H new ATOM 1248 N LYS A 80 11.482 -12.474 -2.886 1.00 22.44 N ATOM 1249 CA LYS A 80 10.729 -13.584 -3.511 1.00 62.42 C ATOM 1250 C LYS A 80 10.693 -13.436 -5.048 1.00 53.15 C ATOM 1251 O LYS A 80 10.739 -14.434 -5.778 1.00 33.33 O ATOM 1252 CB LYS A 80 9.278 -13.668 -2.941 1.00 40.40 C ATOM 1253 CG LYS A 80 9.157 -14.124 -1.452 1.00 4.44 C ATOM 1254 CD LYS A 80 9.471 -13.026 -0.408 1.00 11.33 C ATOM 1255 CE LYS A 80 8.315 -12.027 -0.237 1.00 22.52 C ATOM 1256 NZ LYS A 80 7.095 -12.669 0.324 1.00 33.35 N ATOM 0 H LYS A 80 10.890 -11.740 -2.497 1.00 22.44 H new ATOM 0 HA LYS A 80 11.248 -14.511 -3.268 1.00 62.42 H new ATOM 0 HB2 LYS A 80 8.812 -12.688 -3.040 1.00 40.40 H new ATOM 0 HB3 LYS A 80 8.704 -14.358 -3.560 1.00 40.40 H new ATOM 0 HG2 LYS A 80 8.145 -14.490 -1.280 1.00 4.44 H new ATOM 0 HG3 LYS A 80 9.832 -14.964 -1.288 1.00 4.44 H new ATOM 0 HD2 LYS A 80 9.687 -13.494 0.552 1.00 11.33 H new ATOM 0 HD3 LYS A 80 10.370 -12.488 -0.710 1.00 11.33 H new ATOM 0 HE2 LYS A 80 8.632 -11.217 0.420 1.00 22.52 H new ATOM 0 HE3 LYS A 80 8.077 -11.580 -1.202 1.00 22.52 H new ATOM 0 HZ1 LYS A 80 6.417 -11.935 0.611 1.00 33.35 H new ATOM 0 HZ2 LYS A 80 6.660 -13.278 -0.398 1.00 33.35 H new ATOM 0 HZ3 LYS A 80 7.354 -13.243 1.151 1.00 33.35 H new ATOM 1270 N VAL A 81 10.621 -12.187 -5.525 1.00 20.31 N ATOM 1271 CA VAL A 81 10.489 -11.864 -6.959 1.00 74.01 C ATOM 1272 C VAL A 81 11.824 -12.068 -7.711 1.00 22.53 C ATOM 1273 O VAL A 81 11.876 -12.775 -8.733 1.00 23.11 O ATOM 1274 CB VAL A 81 9.956 -10.397 -7.116 1.00 21.34 C ATOM 1275 CG1 VAL A 81 10.009 -9.895 -8.578 1.00 1.14 C ATOM 1276 CG2 VAL A 81 8.512 -10.301 -6.567 1.00 44.12 C ATOM 0 H VAL A 81 10.653 -11.363 -4.925 1.00 20.31 H new ATOM 0 HA VAL A 81 9.771 -12.548 -7.410 1.00 74.01 H new ATOM 0 HB VAL A 81 10.615 -9.750 -6.537 1.00 21.34 H new ATOM 0 HG11 VAL A 81 9.628 -8.875 -8.626 1.00 1.14 H new ATOM 0 HG12 VAL A 81 11.040 -9.915 -8.932 1.00 1.14 H new ATOM 0 HG13 VAL A 81 9.397 -10.541 -9.207 1.00 1.14 H new ATOM 0 HG21 VAL A 81 8.147 -9.280 -6.679 1.00 44.12 H new ATOM 0 HG22 VAL A 81 7.866 -10.980 -7.123 1.00 44.12 H new ATOM 0 HG23 VAL A 81 8.505 -10.575 -5.512 1.00 44.12 H new