USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 390 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 Single : A 43 HIS : no HD1:sc= -0.235 X(o=-0.24,f=-0.067) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -157:sc= -0.493 (180deg=-1.69) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= -0.0237 (180deg=-0.0237) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= -0.0297 USER MOD Single : A 63 SER OG : rot 91:sc= 0.0467 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 80 THR OG1 : rot 122:sc= 0.296 USER MOD Single : A 87 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.046) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 41 -12.257 -23.878 0.533 1.00 0.13 N ATOM 2 CA GLY A 41 -11.000 -24.420 1.016 1.00 62.32 C ATOM 3 C GLY A 41 -9.989 -23.339 1.342 1.00 4.51 C ATOM 4 O GLY A 41 -10.199 -22.158 1.060 1.00 4.44 O ATOM 0 HA2 GLY A 41 -11.185 -25.020 1.907 1.00 62.32 H new ATOM 0 HA3 GLY A 41 -10.583 -25.088 0.263 1.00 62.32 H new ATOM 8 N PRO A 42 -8.863 -23.739 1.950 1.00 2.42 N ATOM 9 CA PRO A 42 -7.794 -22.810 2.330 1.00 70.12 C ATOM 10 C PRO A 42 -7.056 -22.250 1.119 1.00 23.21 C ATOM 11 O PRO A 42 -6.170 -22.901 0.564 1.00 54.12 O ATOM 12 CB PRO A 42 -6.856 -23.675 3.176 1.00 62.33 C ATOM 13 CG PRO A 42 -7.094 -25.068 2.701 1.00 11.54 C ATOM 14 CD PRO A 42 -8.547 -25.130 2.315 1.00 3.33 C ATOM 0 HA PRO A 42 -8.180 -21.937 2.856 1.00 70.12 H new ATOM 0 HB2 PRO A 42 -5.815 -23.382 3.038 1.00 62.33 H new ATOM 0 HB3 PRO A 42 -7.077 -23.576 4.239 1.00 62.33 H new ATOM 0 HG2 PRO A 42 -6.454 -25.306 1.851 1.00 11.54 H new ATOM 0 HG3 PRO A 42 -6.867 -25.792 3.484 1.00 11.54 H new ATOM 0 HD2 PRO A 42 -8.712 -25.812 1.481 1.00 3.33 H new ATOM 0 HD3 PRO A 42 -9.167 -25.480 3.140 1.00 3.33 H new ATOM 22 N HIS A 43 -7.426 -21.040 0.713 1.00 12.13 N ATOM 23 CA HIS A 43 -6.797 -20.392 -0.432 1.00 55.13 C ATOM 24 C HIS A 43 -5.873 -19.266 0.021 1.00 45.34 C ATOM 25 O HIS A 43 -5.965 -18.791 1.152 1.00 45.51 O ATOM 26 CB HIS A 43 -7.862 -19.842 -1.381 1.00 75.05 C ATOM 27 CG HIS A 43 -8.910 -19.020 -0.695 1.00 30.31 C ATOM 28 ND1 HIS A 43 -10.241 -19.380 -0.652 1.00 42.24 N ATOM 29 CD2 HIS A 43 -8.817 -17.851 -0.020 1.00 44.22 C ATOM 30 CE1 HIS A 43 -10.920 -18.466 0.017 1.00 30.43 C ATOM 31 NE2 HIS A 43 -10.079 -17.528 0.412 1.00 33.13 N ATOM 0 H HIS A 43 -8.158 -20.488 1.160 1.00 12.13 H new ATOM 0 HA HIS A 43 -6.201 -21.138 -0.958 1.00 55.13 H new ATOM 0 HB2 HIS A 43 -7.377 -19.234 -2.144 1.00 75.05 H new ATOM 0 HB3 HIS A 43 -8.343 -20.674 -1.895 1.00 75.05 H new ATOM 0 HD2 HIS A 43 -7.917 -17.278 0.148 1.00 44.22 H new ATOM 0 HE1 HIS A 43 -11.983 -18.483 0.208 1.00 30.43 H new ATOM 0 HE2 HIS A 43 -10.327 -16.698 0.951 1.00 33.13 H new ATOM 40 N MET A 44 -4.982 -18.844 -0.870 1.00 44.25 N ATOM 41 CA MET A 44 -4.040 -17.774 -0.561 1.00 45.45 C ATOM 42 C MET A 44 -4.079 -16.690 -1.635 1.00 64.30 C ATOM 43 O MET A 44 -4.849 -16.776 -2.591 1.00 55.32 O ATOM 44 CB MET A 44 -2.622 -18.333 -0.437 1.00 23.31 C ATOM 45 CG MET A 44 -2.098 -18.953 -1.722 1.00 65.41 C ATOM 46 SD MET A 44 -2.490 -20.708 -1.857 1.00 32.40 S ATOM 47 CE MET A 44 -0.849 -21.425 -1.834 1.00 34.30 C ATOM 0 H MET A 44 -4.892 -19.226 -1.811 1.00 44.25 H new ATOM 0 HA MET A 44 -4.332 -17.330 0.391 1.00 45.45 H new ATOM 0 HB2 MET A 44 -1.950 -17.532 -0.130 1.00 23.31 H new ATOM 0 HB3 MET A 44 -2.604 -19.084 0.353 1.00 23.31 H new ATOM 0 HG2 MET A 44 -2.522 -18.423 -2.575 1.00 65.41 H new ATOM 0 HG3 MET A 44 -1.017 -18.821 -1.770 1.00 65.41 H new ATOM 0 HE1 MET A 44 -0.925 -22.510 -1.910 1.00 34.30 H new ATOM 0 HE2 MET A 44 -0.273 -21.041 -2.676 1.00 34.30 H new ATOM 0 HE3 MET A 44 -0.350 -21.161 -0.902 1.00 34.30 H new ATOM 57 N THR A 45 -3.242 -15.670 -1.469 1.00 63.44 N ATOM 58 CA THR A 45 -3.181 -14.569 -2.422 1.00 14.10 C ATOM 59 C THR A 45 -1.997 -13.656 -2.132 1.00 45.23 C ATOM 60 O THR A 45 -1.508 -13.596 -1.004 1.00 41.11 O ATOM 61 CB THR A 45 -4.477 -13.735 -2.398 1.00 43.33 C ATOM 62 OG1 THR A 45 -4.468 -12.786 -3.472 1.00 22.11 O ATOM 63 CG2 THR A 45 -4.626 -13.005 -1.073 1.00 3.03 C ATOM 0 H THR A 45 -2.597 -15.584 -0.683 1.00 63.44 H new ATOM 0 HA THR A 45 -3.060 -15.012 -3.411 1.00 14.10 H new ATOM 0 HB THR A 45 -5.322 -14.413 -2.518 1.00 43.33 H new ATOM 0 HG1 THR A 45 -5.295 -12.261 -3.451 1.00 22.11 H new ATOM 0 HG21 THR A 45 -5.548 -12.423 -1.080 1.00 3.03 H new ATOM 0 HG22 THR A 45 -4.661 -13.730 -0.260 1.00 3.03 H new ATOM 0 HG23 THR A 45 -3.777 -12.337 -0.928 1.00 3.03 H new ATOM 71 N SER A 46 -1.539 -12.944 -3.158 1.00 34.41 N ATOM 72 CA SER A 46 -0.408 -12.035 -3.014 1.00 21.23 C ATOM 73 C SER A 46 -0.801 -10.804 -2.204 1.00 11.25 C ATOM 74 O SER A 46 -1.130 -9.759 -2.764 1.00 34.31 O ATOM 75 CB SER A 46 0.111 -11.611 -4.389 1.00 42.25 C ATOM 76 OG SER A 46 0.532 -12.733 -5.144 1.00 22.31 O ATOM 0 H SER A 46 -1.934 -12.980 -4.098 1.00 34.41 H new ATOM 0 HA SER A 46 0.384 -12.561 -2.481 1.00 21.23 H new ATOM 0 HB2 SER A 46 -0.673 -11.079 -4.929 1.00 42.25 H new ATOM 0 HB3 SER A 46 0.943 -10.917 -4.269 1.00 42.25 H new ATOM 0 HG SER A 46 0.858 -12.435 -6.019 1.00 22.31 H new ATOM 82 N GLU A 47 -0.762 -10.936 -0.882 1.00 12.23 N ATOM 83 CA GLU A 47 -1.115 -9.834 0.007 1.00 63.14 C ATOM 84 C GLU A 47 -0.335 -8.573 -0.355 1.00 60.42 C ATOM 85 O GLU A 47 -0.898 -7.479 -0.423 1.00 23.02 O ATOM 86 CB GLU A 47 -0.842 -10.216 1.462 1.00 32.24 C ATOM 87 CG GLU A 47 -1.271 -9.153 2.461 1.00 62.12 C ATOM 88 CD GLU A 47 -1.073 -9.591 3.899 1.00 34.31 C ATOM 89 OE1 GLU A 47 -1.638 -8.936 4.801 1.00 31.41 O ATOM 90 OE2 GLU A 47 -0.354 -10.587 4.123 1.00 20.23 O ATOM 0 H GLU A 47 -0.490 -11.794 -0.403 1.00 12.23 H new ATOM 0 HA GLU A 47 -2.179 -9.630 -0.113 1.00 63.14 H new ATOM 0 HB2 GLU A 47 -1.362 -11.147 1.688 1.00 32.24 H new ATOM 0 HB3 GLU A 47 0.224 -10.409 1.584 1.00 32.24 H new ATOM 0 HG2 GLU A 47 -0.703 -8.240 2.281 1.00 62.12 H new ATOM 0 HG3 GLU A 47 -2.322 -8.911 2.300 1.00 62.12 H new ATOM 98 N LEU A 48 0.964 -8.733 -0.585 1.00 55.23 N ATOM 99 CA LEU A 48 1.822 -7.609 -0.939 1.00 14.15 C ATOM 100 C LEU A 48 1.288 -6.882 -2.169 1.00 62.31 C ATOM 101 O LEU A 48 1.444 -5.668 -2.300 1.00 73.22 O ATOM 102 CB LEU A 48 3.250 -8.094 -1.198 1.00 54.53 C ATOM 103 CG LEU A 48 3.399 -9.232 -2.207 1.00 62.50 C ATOM 104 CD1 LEU A 48 3.588 -8.681 -3.611 1.00 11.21 C ATOM 105 CD2 LEU A 48 4.563 -10.134 -1.824 1.00 61.31 C ATOM 0 H LEU A 48 1.445 -9.631 -0.532 1.00 55.23 H new ATOM 0 HA LEU A 48 1.828 -6.911 -0.102 1.00 14.15 H new ATOM 0 HB2 LEU A 48 3.843 -7.248 -1.545 1.00 54.53 H new ATOM 0 HB3 LEU A 48 3.680 -8.417 -0.250 1.00 54.53 H new ATOM 0 HG LEU A 48 2.485 -9.826 -2.194 1.00 62.50 H new ATOM 0 HD11 LEU A 48 3.692 -9.507 -4.315 1.00 11.21 H new ATOM 0 HD12 LEU A 48 2.722 -8.078 -3.885 1.00 11.21 H new ATOM 0 HD13 LEU A 48 4.485 -8.063 -3.642 1.00 11.21 H new ATOM 0 HD21 LEU A 48 4.655 -10.939 -2.553 1.00 61.31 H new ATOM 0 HD22 LEU A 48 5.484 -9.552 -1.808 1.00 61.31 H new ATOM 0 HD23 LEU A 48 4.385 -10.558 -0.836 1.00 61.31 H new ATOM 117 N GLN A 49 0.657 -7.632 -3.066 1.00 65.52 N ATOM 118 CA GLN A 49 0.099 -7.059 -4.285 1.00 21.42 C ATOM 119 C GLN A 49 -1.220 -6.349 -3.998 1.00 23.21 C ATOM 120 O GLN A 49 -1.445 -5.229 -4.456 1.00 4.22 O ATOM 121 CB GLN A 49 -0.113 -8.150 -5.336 1.00 40.45 C ATOM 122 CG GLN A 49 1.098 -8.380 -6.226 1.00 51.15 C ATOM 123 CD GLN A 49 1.176 -7.392 -7.373 1.00 53.03 C ATOM 124 OE1 GLN A 49 0.505 -7.553 -8.394 1.00 73.21 O ATOM 125 NE2 GLN A 49 1.996 -6.360 -7.212 1.00 20.33 N ATOM 0 H GLN A 49 0.519 -8.638 -2.972 1.00 65.52 H new ATOM 0 HA GLN A 49 0.808 -6.327 -4.670 1.00 21.42 H new ATOM 0 HB2 GLN A 49 -0.367 -9.083 -4.833 1.00 40.45 H new ATOM 0 HB3 GLN A 49 -0.966 -7.882 -5.959 1.00 40.45 H new ATOM 0 HG2 GLN A 49 2.005 -8.306 -5.625 1.00 51.15 H new ATOM 0 HG3 GLN A 49 1.063 -9.393 -6.626 1.00 51.15 H new ATOM 0 HE21 GLN A 49 2.533 -6.265 -6.350 1.00 20.33 H new ATOM 0 HE22 GLN A 49 2.089 -5.662 -7.950 1.00 20.33 H new ATOM 134 N MET A 50 -2.088 -7.009 -3.239 1.00 1.24 N ATOM 135 CA MET A 50 -3.385 -6.440 -2.891 1.00 3.30 C ATOM 136 C MET A 50 -3.216 -5.157 -2.082 1.00 34.20 C ATOM 137 O MET A 50 -3.979 -4.205 -2.243 1.00 12.21 O ATOM 138 CB MET A 50 -4.213 -7.452 -2.096 1.00 51.54 C ATOM 139 CG MET A 50 -5.703 -7.150 -2.096 1.00 32.20 C ATOM 140 SD MET A 50 -6.652 -8.340 -1.128 1.00 10.42 S ATOM 141 CE MET A 50 -6.147 -9.878 -1.893 1.00 64.52 C ATOM 0 H MET A 50 -1.917 -7.938 -2.853 1.00 1.24 H new ATOM 0 HA MET A 50 -3.909 -6.200 -3.816 1.00 3.30 H new ATOM 0 HB2 MET A 50 -4.052 -8.447 -2.511 1.00 51.54 H new ATOM 0 HB3 MET A 50 -3.855 -7.474 -1.067 1.00 51.54 H new ATOM 0 HG2 MET A 50 -5.867 -6.149 -1.697 1.00 32.20 H new ATOM 0 HG3 MET A 50 -6.069 -7.148 -3.123 1.00 32.20 H new ATOM 0 HE1 MET A 50 -6.906 -10.640 -1.715 1.00 64.52 H new ATOM 0 HE2 MET A 50 -6.028 -9.729 -2.966 1.00 64.52 H new ATOM 0 HE3 MET A 50 -5.199 -10.203 -1.464 1.00 64.52 H new ATOM 151 N LYS A 51 -2.213 -5.140 -1.212 1.00 21.24 N ATOM 152 CA LYS A 51 -1.942 -3.975 -0.378 1.00 52.22 C ATOM 153 C LYS A 51 -1.839 -2.711 -1.226 1.00 24.43 C ATOM 154 O LYS A 51 -2.292 -1.641 -0.821 1.00 12.40 O ATOM 155 CB LYS A 51 -0.649 -4.177 0.414 1.00 34.42 C ATOM 156 CG LYS A 51 -0.876 -4.660 1.837 1.00 63.04 C ATOM 157 CD LYS A 51 0.202 -4.149 2.778 1.00 51.33 C ATOM 158 CE LYS A 51 -0.247 -2.892 3.509 1.00 41.15 C ATOM 159 NZ LYS A 51 0.830 -2.341 4.377 1.00 70.51 N ATOM 0 H LYS A 51 -1.573 -5.921 -1.066 1.00 21.24 H new ATOM 0 HA LYS A 51 -2.772 -3.858 0.319 1.00 52.22 H new ATOM 0 HB2 LYS A 51 -0.021 -4.898 -0.110 1.00 34.42 H new ATOM 0 HB3 LYS A 51 -0.099 -3.236 0.442 1.00 34.42 H new ATOM 0 HG2 LYS A 51 -1.853 -4.324 2.185 1.00 63.04 H new ATOM 0 HG3 LYS A 51 -0.889 -5.750 1.855 1.00 63.04 H new ATOM 0 HD2 LYS A 51 0.451 -4.924 3.503 1.00 51.33 H new ATOM 0 HD3 LYS A 51 1.110 -3.938 2.213 1.00 51.33 H new ATOM 0 HE2 LYS A 51 -0.549 -2.138 2.782 1.00 41.15 H new ATOM 0 HE3 LYS A 51 -1.123 -3.119 4.117 1.00 41.15 H new ATOM 0 HZ1 LYS A 51 0.485 -1.486 4.858 1.00 70.51 H new ATOM 0 HZ2 LYS A 51 1.101 -3.051 5.087 1.00 70.51 H new ATOM 0 HZ3 LYS A 51 1.657 -2.101 3.794 1.00 70.51 H new ATOM 173 N VAL A 52 -1.241 -2.843 -2.406 1.00 74.02 N ATOM 174 CA VAL A 52 -1.080 -1.713 -3.313 1.00 15.23 C ATOM 175 C VAL A 52 -2.310 -1.540 -4.199 1.00 4.21 C ATOM 176 O VAL A 52 -2.849 -0.441 -4.322 1.00 13.12 O ATOM 177 CB VAL A 52 0.164 -1.881 -4.205 1.00 34.23 C ATOM 178 CG1 VAL A 52 0.431 -0.607 -4.993 1.00 31.55 C ATOM 179 CG2 VAL A 52 1.373 -2.263 -3.365 1.00 52.24 C ATOM 0 H VAL A 52 -0.860 -3.722 -2.756 1.00 74.02 H new ATOM 0 HA VAL A 52 -0.955 -0.825 -2.693 1.00 15.23 H new ATOM 0 HB VAL A 52 -0.024 -2.686 -4.916 1.00 34.23 H new ATOM 0 HG11 VAL A 52 1.314 -0.744 -5.618 1.00 31.55 H new ATOM 0 HG12 VAL A 52 -0.429 -0.382 -5.624 1.00 31.55 H new ATOM 0 HG13 VAL A 52 0.600 0.219 -4.302 1.00 31.55 H new ATOM 0 HG21 VAL A 52 2.243 -2.378 -4.011 1.00 52.24 H new ATOM 0 HG22 VAL A 52 1.567 -1.482 -2.630 1.00 52.24 H new ATOM 0 HG23 VAL A 52 1.176 -3.204 -2.851 1.00 52.24 H new ATOM 189 N ASP A 53 -2.745 -2.633 -4.814 1.00 34.30 N ATOM 190 CA ASP A 53 -3.912 -2.604 -5.689 1.00 71.53 C ATOM 191 C ASP A 53 -5.103 -1.961 -4.986 1.00 31.31 C ATOM 192 O ASP A 53 -5.960 -1.352 -5.626 1.00 11.31 O ATOM 193 CB ASP A 53 -4.274 -4.021 -6.139 1.00 63.40 C ATOM 194 CG ASP A 53 -5.294 -4.030 -7.260 1.00 53.41 C ATOM 195 OD1 ASP A 53 -6.469 -4.361 -6.991 1.00 65.33 O ATOM 196 OD2 ASP A 53 -4.920 -3.702 -8.406 1.00 31.42 O ATOM 0 H ASP A 53 -2.308 -3.550 -4.724 1.00 34.30 H new ATOM 0 HA ASP A 53 -3.663 -2.005 -6.565 1.00 71.53 H new ATOM 0 HB2 ASP A 53 -3.372 -4.536 -6.469 1.00 63.40 H new ATOM 0 HB3 ASP A 53 -4.667 -4.579 -5.290 1.00 63.40 H new ATOM 202 N PHE A 54 -5.150 -2.102 -3.665 1.00 51.14 N ATOM 203 CA PHE A 54 -6.237 -1.536 -2.874 1.00 43.15 C ATOM 204 C PHE A 54 -6.265 -0.015 -2.998 1.00 20.04 C ATOM 205 O PHE A 54 -7.183 0.555 -3.587 1.00 23.10 O ATOM 206 CB PHE A 54 -6.090 -1.938 -1.406 1.00 11.24 C ATOM 207 CG PHE A 54 -7.367 -1.825 -0.622 1.00 63.13 C ATOM 208 CD1 PHE A 54 -7.912 -0.584 -0.336 1.00 21.44 C ATOM 209 CD2 PHE A 54 -8.022 -2.960 -0.174 1.00 22.45 C ATOM 210 CE1 PHE A 54 -9.087 -0.478 0.385 1.00 63.21 C ATOM 211 CE2 PHE A 54 -9.197 -2.860 0.548 1.00 61.44 C ATOM 212 CZ PHE A 54 -9.731 -1.618 0.826 1.00 51.52 C ATOM 0 H PHE A 54 -4.448 -2.603 -3.120 1.00 51.14 H new ATOM 0 HA PHE A 54 -7.177 -1.931 -3.258 1.00 43.15 H new ATOM 0 HB2 PHE A 54 -5.731 -2.966 -1.353 1.00 11.24 H new ATOM 0 HB3 PHE A 54 -5.330 -1.310 -0.940 1.00 11.24 H new ATOM 0 HD1 PHE A 54 -7.414 0.310 -0.680 1.00 21.44 H new ATOM 0 HD2 PHE A 54 -7.610 -3.935 -0.391 1.00 22.45 H new ATOM 0 HE1 PHE A 54 -9.501 0.495 0.603 1.00 63.21 H new ATOM 0 HE2 PHE A 54 -9.696 -3.753 0.894 1.00 61.44 H new ATOM 0 HZ PHE A 54 -10.650 -1.537 1.387 1.00 51.52 H new ATOM 222 N PHE A 55 -5.252 0.636 -2.435 1.00 65.45 N ATOM 223 CA PHE A 55 -5.159 2.091 -2.480 1.00 70.45 C ATOM 224 C PHE A 55 -5.099 2.588 -3.922 1.00 2.33 C ATOM 225 O PHE A 55 -5.430 3.739 -4.207 1.00 10.11 O ATOM 226 CB PHE A 55 -3.925 2.569 -1.712 1.00 32.31 C ATOM 227 CG PHE A 55 -4.134 2.640 -0.227 1.00 1.21 C ATOM 228 CD1 PHE A 55 -4.779 3.725 0.344 1.00 1.42 C ATOM 229 CD2 PHE A 55 -3.687 1.621 0.599 1.00 2.31 C ATOM 230 CE1 PHE A 55 -4.972 3.794 1.711 1.00 30.00 C ATOM 231 CE2 PHE A 55 -3.877 1.684 1.967 1.00 11.22 C ATOM 232 CZ PHE A 55 -4.522 2.772 2.523 1.00 3.52 C ATOM 0 H PHE A 55 -4.484 0.179 -1.943 1.00 65.45 H new ATOM 0 HA PHE A 55 -6.052 2.502 -2.009 1.00 70.45 H new ATOM 0 HB2 PHE A 55 -3.093 1.897 -1.922 1.00 32.31 H new ATOM 0 HB3 PHE A 55 -3.638 3.555 -2.078 1.00 32.31 H new ATOM 0 HD1 PHE A 55 -5.135 4.526 -0.286 1.00 1.42 H new ATOM 0 HD2 PHE A 55 -3.184 0.767 0.169 1.00 2.31 H new ATOM 0 HE1 PHE A 55 -5.474 4.647 2.144 1.00 30.00 H new ATOM 0 HE2 PHE A 55 -3.522 0.884 2.600 1.00 11.22 H new ATOM 0 HZ PHE A 55 -4.674 2.823 3.591 1.00 3.52 H new ATOM 242 N ARG A 56 -4.675 1.712 -4.826 1.00 64.40 N ATOM 243 CA ARG A 56 -4.568 2.061 -6.238 1.00 13.31 C ATOM 244 C ARG A 56 -5.940 2.391 -6.820 1.00 63.04 C ATOM 245 O ARG A 56 -6.050 3.132 -7.798 1.00 24.13 O ATOM 246 CB ARG A 56 -3.931 0.913 -7.024 1.00 14.35 C ATOM 247 CG ARG A 56 -2.413 0.895 -6.950 1.00 53.51 C ATOM 248 CD ARG A 56 -1.789 1.497 -8.200 1.00 4.25 C ATOM 249 NE ARG A 56 -2.154 0.758 -9.405 1.00 10.14 N ATOM 250 CZ ARG A 56 -2.088 1.270 -10.629 1.00 23.30 C ATOM 251 NH1 ARG A 56 -1.670 2.515 -10.809 1.00 33.14 N ATOM 252 NH2 ARG A 56 -2.438 0.534 -11.676 1.00 43.41 N ATOM 0 H ARG A 56 -4.400 0.755 -4.606 1.00 64.40 H new ATOM 0 HA ARG A 56 -3.934 2.943 -6.322 1.00 13.31 H new ATOM 0 HB2 ARG A 56 -4.316 -0.034 -6.645 1.00 14.35 H new ATOM 0 HB3 ARG A 56 -4.235 0.986 -8.068 1.00 14.35 H new ATOM 0 HG2 ARG A 56 -2.083 1.452 -6.073 1.00 53.51 H new ATOM 0 HG3 ARG A 56 -2.065 -0.131 -6.826 1.00 53.51 H new ATOM 0 HD2 ARG A 56 -2.108 2.534 -8.301 1.00 4.25 H new ATOM 0 HD3 ARG A 56 -0.704 1.506 -8.095 1.00 4.25 H new ATOM 0 HE ARG A 56 -2.477 -0.204 -9.301 1.00 10.14 H new ATOM 0 HH11 ARG A 56 -1.398 3.083 -10.006 1.00 33.14 H new ATOM 0 HH12 ARG A 56 -1.620 2.905 -11.750 1.00 33.14 H new ATOM 0 HH21 ARG A 56 -2.758 -0.425 -11.541 1.00 43.41 H new ATOM 0 HH22 ARG A 56 -2.387 0.927 -12.616 1.00 43.41 H new ATOM 266 N LYS A 57 -6.984 1.836 -6.214 1.00 62.30 N ATOM 267 CA LYS A 57 -8.349 2.070 -6.670 1.00 43.21 C ATOM 268 C LYS A 57 -8.992 3.216 -5.896 1.00 45.54 C ATOM 269 O LYS A 57 -9.946 3.838 -6.367 1.00 52.01 O ATOM 270 CB LYS A 57 -9.186 0.799 -6.512 1.00 15.33 C ATOM 271 CG LYS A 57 -9.792 0.640 -5.128 1.00 71.11 C ATOM 272 CD LYS A 57 -9.826 -0.817 -4.698 1.00 61.45 C ATOM 273 CE LYS A 57 -10.271 -0.962 -3.251 1.00 12.41 C ATOM 274 NZ LYS A 57 -10.843 -2.310 -2.979 1.00 62.11 N ATOM 0 H LYS A 57 -6.911 1.220 -5.404 1.00 62.30 H new ATOM 0 HA LYS A 57 -8.312 2.344 -7.724 1.00 43.21 H new ATOM 0 HB2 LYS A 57 -9.987 0.807 -7.252 1.00 15.33 H new ATOM 0 HB3 LYS A 57 -8.561 -0.067 -6.728 1.00 15.33 H new ATOM 0 HG2 LYS A 57 -9.214 1.219 -4.408 1.00 71.11 H new ATOM 0 HG3 LYS A 57 -10.804 1.045 -5.124 1.00 71.11 H new ATOM 0 HD2 LYS A 57 -10.504 -1.373 -5.346 1.00 61.45 H new ATOM 0 HD3 LYS A 57 -8.836 -1.257 -4.821 1.00 61.45 H new ATOM 0 HE2 LYS A 57 -9.421 -0.788 -2.591 1.00 12.41 H new ATOM 0 HE3 LYS A 57 -11.015 -0.199 -3.022 1.00 12.41 H new ATOM 0 HZ1 LYS A 57 -11.134 -2.369 -1.982 1.00 62.11 H new ATOM 0 HZ2 LYS A 57 -11.669 -2.467 -3.591 1.00 62.11 H new ATOM 0 HZ3 LYS A 57 -10.125 -3.037 -3.173 1.00 62.11 H new ATOM 288 N LEU A 58 -8.462 3.493 -4.710 1.00 55.43 N ATOM 289 CA LEU A 58 -8.985 4.566 -3.871 1.00 52.33 C ATOM 290 C LEU A 58 -8.857 5.915 -4.572 1.00 14.31 C ATOM 291 O LEU A 58 -9.550 6.872 -4.230 1.00 13.23 O ATOM 292 CB LEU A 58 -8.243 4.602 -2.533 1.00 73.55 C ATOM 293 CG LEU A 58 -8.920 3.874 -1.372 1.00 12.04 C ATOM 294 CD1 LEU A 58 -10.233 4.552 -1.010 1.00 2.21 C ATOM 295 CD2 LEU A 58 -9.152 2.411 -1.721 1.00 54.32 C ATOM 0 H LEU A 58 -7.671 2.990 -4.308 1.00 55.43 H new ATOM 0 HA LEU A 58 -10.042 4.370 -3.688 1.00 52.33 H new ATOM 0 HB2 LEU A 58 -7.252 4.171 -2.678 1.00 73.55 H new ATOM 0 HB3 LEU A 58 -8.099 5.644 -2.248 1.00 73.55 H new ATOM 0 HG LEU A 58 -8.260 3.919 -0.506 1.00 12.04 H new ATOM 0 HD11 LEU A 58 -10.701 4.020 -0.182 1.00 2.21 H new ATOM 0 HD12 LEU A 58 -10.041 5.584 -0.716 1.00 2.21 H new ATOM 0 HD13 LEU A 58 -10.899 4.538 -1.872 1.00 2.21 H new ATOM 0 HD21 LEU A 58 -9.635 1.909 -0.882 1.00 54.32 H new ATOM 0 HD22 LEU A 58 -9.792 2.344 -2.601 1.00 54.32 H new ATOM 0 HD23 LEU A 58 -8.196 1.931 -1.930 1.00 54.32 H new ATOM 307 N GLY A 59 -7.967 5.984 -5.558 1.00 31.51 N ATOM 308 CA GLY A 59 -7.766 7.218 -6.293 1.00 14.34 C ATOM 309 C GLY A 59 -6.391 7.813 -6.064 1.00 71.42 C ATOM 310 O GLY A 59 -6.208 9.026 -6.155 1.00 42.23 O ATOM 0 H GLY A 59 -7.381 5.206 -5.861 1.00 31.51 H new ATOM 0 HA2 GLY A 59 -7.904 7.029 -7.358 1.00 14.34 H new ATOM 0 HA3 GLY A 59 -8.525 7.942 -5.996 1.00 14.34 H new ATOM 314 N TYR A 60 -5.420 6.955 -5.766 1.00 74.22 N ATOM 315 CA TYR A 60 -4.054 7.402 -5.521 1.00 14.25 C ATOM 316 C TYR A 60 -3.155 7.084 -6.711 1.00 54.43 C ATOM 317 O TYR A 60 -3.612 6.557 -7.726 1.00 24.21 O ATOM 318 CB TYR A 60 -3.500 6.742 -4.257 1.00 42.21 C ATOM 319 CG TYR A 60 -3.973 7.391 -2.976 1.00 52.44 C ATOM 320 CD1 TYR A 60 -3.559 8.671 -2.629 1.00 11.03 C ATOM 321 CD2 TYR A 60 -4.836 6.725 -2.115 1.00 32.42 C ATOM 322 CE1 TYR A 60 -3.990 9.267 -1.459 1.00 65.32 C ATOM 323 CE2 TYR A 60 -5.272 7.314 -0.945 1.00 24.33 C ATOM 324 CZ TYR A 60 -4.846 8.585 -0.621 1.00 20.54 C ATOM 325 OH TYR A 60 -5.277 9.176 0.545 1.00 2.31 O ATOM 0 H TYR A 60 -5.554 5.947 -5.689 1.00 74.22 H new ATOM 0 HA TYR A 60 -4.071 8.483 -5.382 1.00 14.25 H new ATOM 0 HB2 TYR A 60 -3.789 5.691 -4.250 1.00 42.21 H new ATOM 0 HB3 TYR A 60 -2.411 6.773 -4.289 1.00 42.21 H new ATOM 0 HD1 TYR A 60 -2.890 9.209 -3.284 1.00 11.03 H new ATOM 0 HD2 TYR A 60 -5.172 5.729 -2.365 1.00 32.42 H new ATOM 0 HE1 TYR A 60 -3.658 10.262 -1.203 1.00 65.32 H new ATOM 0 HE2 TYR A 60 -5.943 6.782 -0.287 1.00 24.33 H new ATOM 0 HH TYR A 60 -5.876 8.563 1.021 1.00 2.31 H new ATOM 335 N SER A 61 -1.873 7.410 -6.579 1.00 53.22 N ATOM 336 CA SER A 61 -0.908 7.163 -7.645 1.00 13.45 C ATOM 337 C SER A 61 -0.059 5.934 -7.335 1.00 31.20 C ATOM 338 O SER A 61 0.375 5.736 -6.200 1.00 63.23 O ATOM 339 CB SER A 61 -0.007 8.384 -7.837 1.00 40.34 C ATOM 340 OG SER A 61 0.312 8.572 -9.206 1.00 33.31 O ATOM 0 H SER A 61 -1.478 7.845 -5.745 1.00 53.22 H new ATOM 0 HA SER A 61 -1.460 6.978 -8.567 1.00 13.45 H new ATOM 0 HB2 SER A 61 -0.506 9.273 -7.451 1.00 40.34 H new ATOM 0 HB3 SER A 61 0.910 8.258 -7.261 1.00 40.34 H new ATOM 0 HG SER A 61 0.887 9.359 -9.303 1.00 33.31 H new ATOM 346 N SER A 62 0.173 5.111 -8.352 1.00 32.00 N ATOM 347 CA SER A 62 0.966 3.899 -8.190 1.00 35.45 C ATOM 348 C SER A 62 2.349 4.224 -7.634 1.00 3.41 C ATOM 349 O SER A 62 2.857 3.529 -6.755 1.00 21.34 O ATOM 350 CB SER A 62 1.101 3.168 -9.527 1.00 11.14 C ATOM 351 OG SER A 62 0.725 4.006 -10.605 1.00 55.12 O ATOM 0 H SER A 62 -0.177 5.262 -9.298 1.00 32.00 H new ATOM 0 HA SER A 62 0.451 3.251 -7.481 1.00 35.45 H new ATOM 0 HB2 SER A 62 2.131 2.836 -9.662 1.00 11.14 H new ATOM 0 HB3 SER A 62 0.477 2.275 -9.522 1.00 11.14 H new ATOM 0 HG SER A 62 0.822 3.517 -11.449 1.00 55.12 H new ATOM 357 N SER A 63 2.952 5.289 -8.153 1.00 40.41 N ATOM 358 CA SER A 63 4.278 5.707 -7.713 1.00 31.01 C ATOM 359 C SER A 63 4.268 6.076 -6.232 1.00 71.03 C ATOM 360 O SER A 63 5.294 6.008 -5.558 1.00 60.41 O ATOM 361 CB SER A 63 4.763 6.896 -8.543 1.00 64.13 C ATOM 362 OG SER A 63 4.234 6.851 -9.857 1.00 15.00 O ATOM 0 H SER A 63 2.543 5.878 -8.879 1.00 40.41 H new ATOM 0 HA SER A 63 4.962 4.870 -7.857 1.00 31.01 H new ATOM 0 HB2 SER A 63 4.465 7.826 -8.060 1.00 64.13 H new ATOM 0 HB3 SER A 63 5.852 6.893 -8.586 1.00 64.13 H new ATOM 0 HG SER A 63 3.388 7.345 -9.886 1.00 15.00 H new ATOM 368 N GLU A 64 3.099 6.468 -5.735 1.00 73.32 N ATOM 369 CA GLU A 64 2.954 6.849 -4.335 1.00 12.13 C ATOM 370 C GLU A 64 2.794 5.618 -3.450 1.00 34.45 C ATOM 371 O GLU A 64 3.559 5.413 -2.508 1.00 24.14 O ATOM 372 CB GLU A 64 1.751 7.778 -4.158 1.00 11.30 C ATOM 373 CG GLU A 64 1.888 9.098 -4.899 1.00 50.00 C ATOM 374 CD GLU A 64 2.466 10.198 -4.030 1.00 34.02 C ATOM 375 OE1 GLU A 64 3.216 11.042 -4.563 1.00 53.54 O ATOM 376 OE2 GLU A 64 2.170 10.214 -2.817 1.00 43.12 O ATOM 0 H GLU A 64 2.239 6.530 -6.281 1.00 73.32 H new ATOM 0 HA GLU A 64 3.859 7.377 -4.033 1.00 12.13 H new ATOM 0 HB2 GLU A 64 0.853 7.267 -4.506 1.00 11.30 H new ATOM 0 HB3 GLU A 64 1.611 7.980 -3.096 1.00 11.30 H new ATOM 0 HG2 GLU A 64 2.526 8.956 -5.771 1.00 50.00 H new ATOM 0 HG3 GLU A 64 0.910 9.407 -5.267 1.00 50.00 H new ATOM 384 N ILE A 65 1.791 4.800 -3.758 1.00 3.41 N ATOM 385 CA ILE A 65 1.531 3.589 -2.992 1.00 30.03 C ATOM 386 C ILE A 65 2.713 2.628 -3.062 1.00 73.13 C ATOM 387 O ILE A 65 3.043 1.961 -2.082 1.00 63.54 O ATOM 388 CB ILE A 65 0.266 2.868 -3.493 1.00 31.44 C ATOM 389 CG1 ILE A 65 -0.950 3.791 -3.389 1.00 42.22 C ATOM 390 CG2 ILE A 65 0.036 1.590 -2.699 1.00 14.12 C ATOM 391 CD1 ILE A 65 -2.077 3.413 -4.323 1.00 71.42 C ATOM 0 H ILE A 65 1.146 4.956 -4.533 1.00 3.41 H new ATOM 0 HA ILE A 65 1.379 3.897 -1.957 1.00 30.03 H new ATOM 0 HB ILE A 65 0.408 2.603 -4.541 1.00 31.44 H new ATOM 0 HG12 ILE A 65 -1.319 3.778 -2.363 1.00 42.22 H new ATOM 0 HG13 ILE A 65 -0.639 4.814 -3.603 1.00 42.22 H new ATOM 0 HG21 ILE A 65 -0.862 1.091 -3.064 1.00 14.12 H new ATOM 0 HG22 ILE A 65 0.893 0.928 -2.819 1.00 14.12 H new ATOM 0 HG23 ILE A 65 -0.089 1.834 -1.644 1.00 14.12 H new ATOM 0 HD11 ILE A 65 -2.905 4.110 -4.195 1.00 71.42 H new ATOM 0 HD12 ILE A 65 -1.725 3.454 -5.354 1.00 71.42 H new ATOM 0 HD13 ILE A 65 -2.415 2.402 -4.095 1.00 71.42 H new ATOM 403 N HIS A 66 3.346 2.563 -4.229 1.00 3.42 N ATOM 404 CA HIS A 66 4.494 1.685 -4.427 1.00 52.24 C ATOM 405 C HIS A 66 5.724 2.228 -3.708 1.00 22.33 C ATOM 406 O HIS A 66 6.624 1.472 -3.339 1.00 44.11 O ATOM 407 CB HIS A 66 4.790 1.528 -5.920 1.00 2.13 C ATOM 408 CG HIS A 66 5.576 0.296 -6.247 1.00 41.45 C ATOM 409 ND1 HIS A 66 6.934 0.312 -6.488 1.00 1.00 N ATOM 410 CD2 HIS A 66 5.188 -0.994 -6.372 1.00 44.05 C ATOM 411 CE1 HIS A 66 7.347 -0.915 -6.749 1.00 33.41 C ATOM 412 NE2 HIS A 66 6.307 -1.727 -6.685 1.00 52.11 N ATOM 0 H HIS A 66 3.084 3.107 -5.051 1.00 3.42 H new ATOM 0 HA HIS A 66 4.251 0.709 -4.007 1.00 52.24 H new ATOM 0 HB2 HIS A 66 3.848 1.505 -6.468 1.00 2.13 H new ATOM 0 HB3 HIS A 66 5.340 2.403 -6.267 1.00 2.13 H new ATOM 0 HD2 HIS A 66 4.185 -1.376 -6.249 1.00 44.05 H new ATOM 0 HE1 HIS A 66 8.362 -1.205 -6.976 1.00 33.41 H new ATOM 0 HE2 HIS A 66 6.331 -2.734 -6.842 1.00 52.11 H new ATOM 421 N SER A 67 5.758 3.542 -3.510 1.00 72.20 N ATOM 422 CA SER A 67 6.879 4.187 -2.837 1.00 64.34 C ATOM 423 C SER A 67 6.847 3.908 -1.338 1.00 11.42 C ATOM 424 O SER A 67 7.773 3.316 -0.784 1.00 22.45 O ATOM 425 CB SER A 67 6.854 5.695 -3.088 1.00 50.02 C ATOM 426 OG SER A 67 7.621 6.387 -2.118 1.00 42.23 O ATOM 0 H SER A 67 5.021 4.181 -3.807 1.00 72.20 H new ATOM 0 HA SER A 67 7.801 3.774 -3.246 1.00 64.34 H new ATOM 0 HB2 SER A 67 7.244 5.907 -4.083 1.00 50.02 H new ATOM 0 HB3 SER A 67 5.825 6.053 -3.066 1.00 50.02 H new ATOM 0 HG SER A 67 7.590 7.349 -2.302 1.00 42.23 H new ATOM 432 N VAL A 68 5.772 4.340 -0.686 1.00 12.43 N ATOM 433 CA VAL A 68 5.616 4.138 0.750 1.00 5.24 C ATOM 434 C VAL A 68 5.788 2.669 1.119 1.00 12.21 C ATOM 435 O VAL A 68 6.319 2.342 2.182 1.00 74.10 O ATOM 436 CB VAL A 68 4.237 4.622 1.239 1.00 63.44 C ATOM 437 CG1 VAL A 68 4.099 6.123 1.043 1.00 52.14 C ATOM 438 CG2 VAL A 68 3.125 3.876 0.516 1.00 22.22 C ATOM 0 H VAL A 68 4.996 4.832 -1.129 1.00 12.43 H new ATOM 0 HA VAL A 68 6.393 4.726 1.239 1.00 5.24 H new ATOM 0 HB VAL A 68 4.152 4.410 2.305 1.00 63.44 H new ATOM 0 HG11 VAL A 68 3.119 6.447 1.394 1.00 52.14 H new ATOM 0 HG12 VAL A 68 4.876 6.637 1.610 1.00 52.14 H new ATOM 0 HG13 VAL A 68 4.203 6.363 -0.015 1.00 52.14 H new ATOM 0 HG21 VAL A 68 2.158 4.230 0.873 1.00 22.22 H new ATOM 0 HG22 VAL A 68 3.204 4.055 -0.556 1.00 22.22 H new ATOM 0 HG23 VAL A 68 3.216 2.808 0.713 1.00 22.22 H new ATOM 448 N LEU A 69 5.335 1.786 0.236 1.00 52.11 N ATOM 449 CA LEU A 69 5.438 0.350 0.468 1.00 21.32 C ATOM 450 C LEU A 69 6.858 -0.143 0.211 1.00 64.24 C ATOM 451 O LEU A 69 7.329 -1.077 0.859 1.00 32.41 O ATOM 452 CB LEU A 69 4.454 -0.404 -0.428 1.00 33.44 C ATOM 453 CG LEU A 69 3.091 -0.721 0.189 1.00 23.02 C ATOM 454 CD1 LEU A 69 3.227 -1.788 1.263 1.00 21.22 C ATOM 455 CD2 LEU A 69 2.460 0.539 0.763 1.00 1.11 C ATOM 0 H LEU A 69 4.893 2.040 -0.647 1.00 52.11 H new ATOM 0 HA LEU A 69 5.190 0.157 1.512 1.00 21.32 H new ATOM 0 HB2 LEU A 69 4.293 0.183 -1.332 1.00 33.44 H new ATOM 0 HB3 LEU A 69 4.918 -1.341 -0.735 1.00 33.44 H new ATOM 0 HG LEU A 69 2.439 -1.105 -0.595 1.00 23.02 H new ATOM 0 HD11 LEU A 69 2.247 -2.001 1.691 1.00 21.22 H new ATOM 0 HD12 LEU A 69 3.636 -2.697 0.823 1.00 21.22 H new ATOM 0 HD13 LEU A 69 3.896 -1.432 2.047 1.00 21.22 H new ATOM 0 HD21 LEU A 69 1.491 0.295 1.198 1.00 1.11 H new ATOM 0 HD22 LEU A 69 3.110 0.953 1.534 1.00 1.11 H new ATOM 0 HD23 LEU A 69 2.327 1.273 -0.031 1.00 1.11 H new ATOM 467 N GLN A 70 7.536 0.493 -0.740 1.00 22.20 N ATOM 468 CA GLN A 70 8.904 0.120 -1.081 1.00 55.13 C ATOM 469 C GLN A 70 9.850 0.392 0.083 1.00 0.31 C ATOM 470 O GLN A 70 10.893 -0.248 0.212 1.00 64.12 O ATOM 471 CB GLN A 70 9.369 0.885 -2.322 1.00 0.32 C ATOM 472 CG GLN A 70 10.827 0.644 -2.675 1.00 22.30 C ATOM 473 CD GLN A 70 11.311 1.534 -3.802 1.00 51.11 C ATOM 474 OE1 GLN A 70 10.609 1.735 -4.795 1.00 3.12 O ATOM 475 NE2 GLN A 70 12.515 2.074 -3.656 1.00 12.21 N ATOM 0 H GLN A 70 7.161 1.268 -1.287 1.00 22.20 H new ATOM 0 HA GLN A 70 8.920 -0.949 -1.294 1.00 55.13 H new ATOM 0 HB2 GLN A 70 8.747 0.598 -3.170 1.00 0.32 H new ATOM 0 HB3 GLN A 70 9.215 1.952 -2.160 1.00 0.32 H new ATOM 0 HG2 GLN A 70 11.443 0.815 -1.792 1.00 22.30 H new ATOM 0 HG3 GLN A 70 10.960 -0.400 -2.959 1.00 22.30 H new ATOM 0 HE21 GLN A 70 13.062 1.881 -2.817 1.00 12.21 H new ATOM 0 HE22 GLN A 70 12.893 2.682 -4.383 1.00 12.21 H new ATOM 484 N LYS A 71 9.479 1.347 0.930 1.00 42.05 N ATOM 485 CA LYS A 71 10.293 1.705 2.085 1.00 64.32 C ATOM 486 C LYS A 71 9.773 1.026 3.348 1.00 34.05 C ATOM 487 O LYS A 71 10.552 0.538 4.169 1.00 72.53 O ATOM 488 CB LYS A 71 10.304 3.222 2.277 1.00 51.34 C ATOM 489 CG LYS A 71 11.192 3.685 3.419 1.00 53.33 C ATOM 490 CD LYS A 71 11.274 5.201 3.483 1.00 52.34 C ATOM 491 CE LYS A 71 11.760 5.676 4.844 1.00 52.32 C ATOM 492 NZ LYS A 71 13.208 5.393 5.046 1.00 64.14 N ATOM 0 H LYS A 71 8.619 1.887 0.837 1.00 42.05 H new ATOM 0 HA LYS A 71 11.311 1.361 1.901 1.00 64.32 H new ATOM 0 HB2 LYS A 71 10.639 3.694 1.353 1.00 51.34 H new ATOM 0 HB3 LYS A 71 9.285 3.564 2.459 1.00 51.34 H new ATOM 0 HG2 LYS A 71 10.803 3.301 4.362 1.00 53.33 H new ATOM 0 HG3 LYS A 71 12.192 3.271 3.294 1.00 53.33 H new ATOM 0 HD2 LYS A 71 11.949 5.563 2.708 1.00 52.34 H new ATOM 0 HD3 LYS A 71 10.293 5.629 3.276 1.00 52.34 H new ATOM 0 HE2 LYS A 71 11.583 6.747 4.939 1.00 52.32 H new ATOM 0 HE3 LYS A 71 11.182 5.186 5.627 1.00 52.32 H new ATOM 0 HZ1 LYS A 71 13.500 5.732 5.985 1.00 64.14 H new ATOM 0 HZ2 LYS A 71 13.374 4.368 4.980 1.00 64.14 H new ATOM 0 HZ3 LYS A 71 13.763 5.881 4.314 1.00 64.14 H new ATOM 506 N LEU A 72 8.453 0.997 3.498 1.00 21.43 N ATOM 507 CA LEU A 72 7.829 0.375 4.661 1.00 53.33 C ATOM 508 C LEU A 72 7.955 -1.144 4.601 1.00 41.22 C ATOM 509 O LEU A 72 8.508 -1.767 5.505 1.00 30.31 O ATOM 510 CB LEU A 72 6.355 0.773 4.747 1.00 40.50 C ATOM 511 CG LEU A 72 6.069 2.177 5.282 1.00 52.02 C ATOM 512 CD1 LEU A 72 4.822 2.754 4.629 1.00 3.33 C ATOM 513 CD2 LEU A 72 5.916 2.149 6.796 1.00 74.02 C ATOM 0 H LEU A 72 7.795 1.397 2.829 1.00 21.43 H new ATOM 0 HA LEU A 72 8.347 0.728 5.552 1.00 53.33 H new ATOM 0 HB2 LEU A 72 5.918 0.689 3.752 1.00 40.50 H new ATOM 0 HB3 LEU A 72 5.841 0.052 5.383 1.00 40.50 H new ATOM 0 HG LEU A 72 6.914 2.819 5.033 1.00 52.02 H new ATOM 0 HD11 LEU A 72 4.635 3.753 5.022 1.00 3.33 H new ATOM 0 HD12 LEU A 72 4.969 2.810 3.550 1.00 3.33 H new ATOM 0 HD13 LEU A 72 3.968 2.113 4.846 1.00 3.33 H new ATOM 0 HD21 LEU A 72 5.713 3.156 7.160 1.00 74.02 H new ATOM 0 HD22 LEU A 72 5.089 1.492 7.066 1.00 74.02 H new ATOM 0 HD23 LEU A 72 6.836 1.779 7.248 1.00 74.02 H new ATOM 525 N GLY A 73 7.438 -1.733 3.526 1.00 1.43 N ATOM 526 CA GLY A 73 7.505 -3.174 3.366 1.00 50.33 C ATOM 527 C GLY A 73 6.258 -3.871 3.873 1.00 51.30 C ATOM 528 O GLY A 73 5.139 -3.465 3.558 1.00 62.22 O ATOM 0 H GLY A 73 6.974 -1.238 2.764 1.00 1.43 H new ATOM 0 HA2 GLY A 73 7.649 -3.413 2.312 1.00 50.33 H new ATOM 0 HA3 GLY A 73 8.374 -3.556 3.901 1.00 50.33 H new ATOM 532 N VAL A 74 6.450 -4.926 4.659 1.00 34.01 N ATOM 533 CA VAL A 74 5.332 -5.682 5.210 1.00 64.35 C ATOM 534 C VAL A 74 5.021 -5.243 6.637 1.00 63.44 C ATOM 535 O VAL A 74 3.918 -5.460 7.136 1.00 50.23 O ATOM 536 CB VAL A 74 5.619 -7.195 5.200 1.00 71.42 C ATOM 537 CG1 VAL A 74 4.388 -7.975 5.635 1.00 23.41 C ATOM 538 CG2 VAL A 74 6.083 -7.641 3.822 1.00 52.13 C ATOM 0 H VAL A 74 7.369 -5.276 4.928 1.00 34.01 H new ATOM 0 HA VAL A 74 4.469 -5.479 4.575 1.00 64.35 H new ATOM 0 HB VAL A 74 6.419 -7.399 5.911 1.00 71.42 H new ATOM 0 HG11 VAL A 74 4.610 -9.042 5.622 1.00 23.41 H new ATOM 0 HG12 VAL A 74 4.105 -7.676 6.644 1.00 23.41 H new ATOM 0 HG13 VAL A 74 3.565 -7.767 4.951 1.00 23.41 H new ATOM 0 HG21 VAL A 74 6.281 -8.713 3.834 1.00 52.13 H new ATOM 0 HG22 VAL A 74 5.306 -7.424 3.089 1.00 52.13 H new ATOM 0 HG23 VAL A 74 6.995 -7.107 3.554 1.00 52.13 H new ATOM 548 N GLN A 75 6.003 -4.626 7.287 1.00 62.43 N ATOM 549 CA GLN A 75 5.834 -4.158 8.657 1.00 13.34 C ATOM 550 C GLN A 75 4.809 -3.031 8.724 1.00 52.22 C ATOM 551 O GLN A 75 4.223 -2.774 9.775 1.00 52.12 O ATOM 552 CB GLN A 75 7.172 -3.680 9.224 1.00 42.13 C ATOM 553 CG GLN A 75 7.630 -2.345 8.659 1.00 23.53 C ATOM 554 CD GLN A 75 8.956 -1.892 9.237 1.00 11.23 C ATOM 555 OE1 GLN A 75 8.998 -1.180 10.241 1.00 61.20 O ATOM 556 NE2 GLN A 75 10.049 -2.301 8.604 1.00 71.21 N ATOM 0 H GLN A 75 6.923 -4.439 6.887 1.00 62.43 H new ATOM 0 HA GLN A 75 5.470 -4.992 9.257 1.00 13.34 H new ATOM 0 HB2 GLN A 75 7.089 -3.597 10.308 1.00 42.13 H new ATOM 0 HB3 GLN A 75 7.934 -4.432 9.019 1.00 42.13 H new ATOM 0 HG2 GLN A 75 7.718 -2.424 7.575 1.00 23.53 H new ATOM 0 HG3 GLN A 75 6.872 -1.589 8.863 1.00 23.53 H new ATOM 0 HE21 GLN A 75 9.968 -2.890 7.775 1.00 71.21 H new ATOM 0 HE22 GLN A 75 10.970 -2.026 8.946 1.00 71.21 H new ATOM 565 N ALA A 76 4.598 -2.362 7.595 1.00 12.52 N ATOM 566 CA ALA A 76 3.642 -1.264 7.526 1.00 54.53 C ATOM 567 C ALA A 76 2.284 -1.681 8.081 1.00 63.21 C ATOM 568 O ALA A 76 2.041 -2.862 8.329 1.00 4.45 O ATOM 569 CB ALA A 76 3.501 -0.776 6.092 1.00 73.33 C ATOM 0 H ALA A 76 5.076 -2.561 6.716 1.00 12.52 H new ATOM 0 HA ALA A 76 4.020 -0.447 8.141 1.00 54.53 H new ATOM 0 HB1 ALA A 76 2.784 0.044 6.056 1.00 73.33 H new ATOM 0 HB2 ALA A 76 4.468 -0.429 5.729 1.00 73.33 H new ATOM 0 HB3 ALA A 76 3.150 -1.593 5.462 1.00 73.33 H new ATOM 575 N ASP A 77 1.403 -0.706 8.273 1.00 54.24 N ATOM 576 CA ASP A 77 0.069 -0.972 8.797 1.00 71.52 C ATOM 577 C ASP A 77 -0.972 -0.098 8.105 1.00 14.31 C ATOM 578 O ASP A 77 -0.649 0.956 7.555 1.00 62.34 O ATOM 579 CB ASP A 77 0.034 -0.730 10.307 1.00 23.34 C ATOM 580 CG ASP A 77 1.341 -1.096 10.983 1.00 42.43 C ATOM 581 OD1 ASP A 77 2.147 -0.179 11.250 1.00 1.34 O ATOM 582 OD2 ASP A 77 1.558 -2.297 11.243 1.00 3.40 O ATOM 0 H ASP A 77 1.589 0.277 8.073 1.00 54.24 H new ATOM 0 HA ASP A 77 -0.171 -2.017 8.598 1.00 71.52 H new ATOM 0 HB2 ASP A 77 -0.189 0.320 10.499 1.00 23.34 H new ATOM 0 HB3 ASP A 77 -0.775 -1.313 10.747 1.00 23.34 H new ATOM 588 N THR A 78 -2.225 -0.542 8.135 1.00 2.35 N ATOM 589 CA THR A 78 -3.314 0.198 7.510 1.00 10.33 C ATOM 590 C THR A 78 -3.328 1.651 7.972 1.00 45.35 C ATOM 591 O THR A 78 -3.745 2.543 7.233 1.00 31.44 O ATOM 592 CB THR A 78 -4.680 -0.440 7.823 1.00 71.13 C ATOM 593 OG1 THR A 78 -4.682 -1.814 7.419 1.00 21.44 O ATOM 594 CG2 THR A 78 -5.800 0.304 7.113 1.00 71.41 C ATOM 0 H THR A 78 -2.511 -1.411 8.586 1.00 2.35 H new ATOM 0 HA THR A 78 -3.142 0.162 6.434 1.00 10.33 H new ATOM 0 HB THR A 78 -4.848 -0.377 8.898 1.00 71.13 H new ATOM 0 HG1 THR A 78 -5.553 -2.214 7.623 1.00 21.44 H new ATOM 0 HG21 THR A 78 -6.755 -0.165 7.349 1.00 71.41 H new ATOM 0 HG22 THR A 78 -5.814 1.342 7.444 1.00 71.41 H new ATOM 0 HG23 THR A 78 -5.635 0.269 6.036 1.00 71.41 H new ATOM 602 N ASN A 79 -2.866 1.882 9.196 1.00 12.41 N ATOM 603 CA ASN A 79 -2.825 3.229 9.755 1.00 33.35 C ATOM 604 C ASN A 79 -1.620 4.000 9.229 1.00 52.44 C ATOM 605 O ASN A 79 -1.737 5.159 8.827 1.00 13.15 O ATOM 606 CB ASN A 79 -2.777 3.167 11.283 1.00 21.25 C ATOM 607 CG ASN A 79 -2.847 4.542 11.920 1.00 21.14 C ATOM 608 OD1 ASN A 79 -3.505 5.445 11.404 1.00 73.42 O ATOM 609 ND2 ASN A 79 -2.165 4.707 13.048 1.00 53.01 N ATOM 0 H ASN A 79 -2.515 1.155 9.820 1.00 12.41 H new ATOM 0 HA ASN A 79 -3.731 3.751 9.447 1.00 33.35 H new ATOM 0 HB2 ASN A 79 -3.606 2.559 11.645 1.00 21.25 H new ATOM 0 HB3 ASN A 79 -1.858 2.671 11.595 1.00 21.25 H new ATOM 0 HD21 ASN A 79 -2.174 5.610 13.522 1.00 53.01 H new ATOM 0 HD22 ASN A 79 -1.633 3.930 13.440 1.00 53.01 H new ATOM 616 N THR A 80 -0.460 3.351 9.231 1.00 12.33 N ATOM 617 CA THR A 80 0.767 3.975 8.753 1.00 30.14 C ATOM 618 C THR A 80 0.655 4.352 7.280 1.00 22.15 C ATOM 619 O THR A 80 1.019 5.459 6.883 1.00 51.21 O ATOM 620 CB THR A 80 1.981 3.046 8.944 1.00 41.13 C ATOM 621 OG1 THR A 80 2.152 2.742 10.332 1.00 34.11 O ATOM 622 CG2 THR A 80 3.247 3.692 8.401 1.00 30.20 C ATOM 0 H THR A 80 -0.345 2.392 9.559 1.00 12.33 H new ATOM 0 HA THR A 80 0.914 4.878 9.345 1.00 30.14 H new ATOM 0 HB THR A 80 1.796 2.125 8.391 1.00 41.13 H new ATOM 0 HG1 THR A 80 2.109 1.772 10.462 1.00 34.11 H new ATOM 0 HG21 THR A 80 4.091 3.018 8.547 1.00 30.20 H new ATOM 0 HG22 THR A 80 3.124 3.895 7.337 1.00 30.20 H new ATOM 0 HG23 THR A 80 3.434 4.627 8.929 1.00 30.20 H new ATOM 630 N VAL A 81 0.151 3.424 6.473 1.00 21.44 N ATOM 631 CA VAL A 81 -0.010 3.659 5.044 1.00 32.13 C ATOM 632 C VAL A 81 -0.763 4.959 4.782 1.00 32.34 C ATOM 633 O VAL A 81 -0.290 5.826 4.046 1.00 71.32 O ATOM 634 CB VAL A 81 -0.761 2.499 4.365 1.00 34.22 C ATOM 635 CG1 VAL A 81 -0.807 2.701 2.858 1.00 21.32 C ATOM 636 CG2 VAL A 81 -0.112 1.168 4.714 1.00 42.32 C ATOM 0 H VAL A 81 -0.153 2.502 6.785 1.00 21.44 H new ATOM 0 HA VAL A 81 0.992 3.731 4.621 1.00 32.13 H new ATOM 0 HB VAL A 81 -1.786 2.486 4.736 1.00 34.22 H new ATOM 0 HG11 VAL A 81 -1.342 1.871 2.396 1.00 21.32 H new ATOM 0 HG12 VAL A 81 -1.321 3.635 2.632 1.00 21.32 H new ATOM 0 HG13 VAL A 81 0.209 2.742 2.465 1.00 21.32 H new ATOM 0 HG21 VAL A 81 -0.655 0.359 4.226 1.00 42.32 H new ATOM 0 HG22 VAL A 81 0.923 1.167 4.373 1.00 42.32 H new ATOM 0 HG23 VAL A 81 -0.138 1.023 5.794 1.00 42.32 H new ATOM 646 N LEU A 82 -1.937 5.089 5.391 1.00 5.40 N ATOM 647 CA LEU A 82 -2.756 6.285 5.225 1.00 73.43 C ATOM 648 C LEU A 82 -1.968 7.540 5.584 1.00 2.13 C ATOM 649 O LEU A 82 -1.889 8.482 4.797 1.00 1.41 O ATOM 650 CB LEU A 82 -4.011 6.191 6.094 1.00 14.02 C ATOM 651 CG LEU A 82 -4.904 4.973 5.856 1.00 64.14 C ATOM 652 CD1 LEU A 82 -5.723 4.659 7.099 1.00 42.23 C ATOM 653 CD2 LEU A 82 -5.814 5.204 4.659 1.00 54.03 C ATOM 0 H LEU A 82 -2.343 4.382 6.004 1.00 5.40 H new ATOM 0 HA LEU A 82 -3.050 6.351 4.178 1.00 73.43 H new ATOM 0 HB2 LEU A 82 -3.705 6.193 7.140 1.00 14.02 H new ATOM 0 HB3 LEU A 82 -4.607 7.090 5.935 1.00 14.02 H new ATOM 0 HG LEU A 82 -4.266 4.116 5.641 1.00 64.14 H new ATOM 0 HD11 LEU A 82 -6.352 3.789 6.910 1.00 42.23 H new ATOM 0 HD12 LEU A 82 -5.053 4.448 7.932 1.00 42.23 H new ATOM 0 HD13 LEU A 82 -6.351 5.515 7.346 1.00 42.23 H new ATOM 0 HD21 LEU A 82 -6.442 4.327 4.505 1.00 54.03 H new ATOM 0 HD22 LEU A 82 -6.444 6.074 4.844 1.00 54.03 H new ATOM 0 HD23 LEU A 82 -5.208 5.377 3.770 1.00 54.03 H new ATOM 665 N GLY A 83 -1.383 7.544 6.779 1.00 1.20 N ATOM 666 CA GLY A 83 -0.605 8.687 7.220 1.00 34.21 C ATOM 667 C GLY A 83 0.449 9.096 6.212 1.00 72.04 C ATOM 668 O GLY A 83 0.644 10.283 5.956 1.00 64.01 O ATOM 0 H GLY A 83 -1.434 6.776 7.449 1.00 1.20 H new ATOM 0 HA2 GLY A 83 -1.273 9.528 7.403 1.00 34.21 H new ATOM 0 HA3 GLY A 83 -0.123 8.450 8.169 1.00 34.21 H new ATOM 672 N GLU A 84 1.132 8.110 5.638 1.00 21.34 N ATOM 673 CA GLU A 84 2.175 8.374 4.655 1.00 74.24 C ATOM 674 C GLU A 84 1.637 9.228 3.510 1.00 64.32 C ATOM 675 O GLU A 84 2.349 10.070 2.961 1.00 44.34 O ATOM 676 CB GLU A 84 2.734 7.060 4.106 1.00 22.21 C ATOM 677 CG GLU A 84 3.561 6.282 5.116 1.00 72.33 C ATOM 678 CD GLU A 84 4.913 6.917 5.378 1.00 74.13 C ATOM 679 OE1 GLU A 84 5.628 6.438 6.282 1.00 15.11 O ATOM 680 OE2 GLU A 84 5.255 7.894 4.678 1.00 71.41 O ATOM 0 H GLU A 84 0.981 7.121 5.837 1.00 21.34 H new ATOM 0 HA GLU A 84 2.976 8.922 5.150 1.00 74.24 H new ATOM 0 HB2 GLU A 84 1.907 6.436 3.768 1.00 22.21 H new ATOM 0 HB3 GLU A 84 3.350 7.274 3.232 1.00 22.21 H new ATOM 0 HG2 GLU A 84 3.010 6.211 6.054 1.00 72.33 H new ATOM 0 HG3 GLU A 84 3.706 5.264 4.754 1.00 72.33 H new ATOM 688 N LEU A 85 0.378 9.005 3.153 1.00 32.52 N ATOM 689 CA LEU A 85 -0.257 9.752 2.073 1.00 44.14 C ATOM 690 C LEU A 85 -0.894 11.033 2.599 1.00 51.34 C ATOM 691 O LEU A 85 -1.024 12.019 1.872 1.00 33.21 O ATOM 692 CB LEU A 85 -1.313 8.889 1.380 1.00 13.42 C ATOM 693 CG LEU A 85 -0.912 7.445 1.084 1.00 64.20 C ATOM 694 CD1 LEU A 85 -2.135 6.609 0.742 1.00 54.00 C ATOM 695 CD2 LEU A 85 0.104 7.395 -0.049 1.00 33.43 C ATOM 0 H LEU A 85 -0.225 8.312 3.596 1.00 32.52 H new ATOM 0 HA LEU A 85 0.513 10.022 1.350 1.00 44.14 H new ATOM 0 HB2 LEU A 85 -2.208 8.876 2.002 1.00 13.42 H new ATOM 0 HB3 LEU A 85 -1.585 9.369 0.440 1.00 13.42 H new ATOM 0 HG LEU A 85 -0.451 7.027 1.979 1.00 64.20 H new ATOM 0 HD11 LEU A 85 -1.828 5.584 0.534 1.00 54.00 H new ATOM 0 HD12 LEU A 85 -2.828 6.617 1.583 1.00 54.00 H new ATOM 0 HD13 LEU A 85 -2.626 7.026 -0.137 1.00 54.00 H new ATOM 0 HD21 LEU A 85 0.378 6.359 -0.246 1.00 33.43 H new ATOM 0 HD22 LEU A 85 -0.331 7.833 -0.947 1.00 33.43 H new ATOM 0 HD23 LEU A 85 0.993 7.958 0.235 1.00 33.43 H new ATOM 707 N VAL A 86 -1.289 11.014 3.868 1.00 52.32 N ATOM 708 CA VAL A 86 -1.911 12.175 4.493 1.00 13.25 C ATOM 709 C VAL A 86 -0.951 13.359 4.530 1.00 20.32 C ATOM 710 O VAL A 86 -1.373 14.514 4.579 1.00 14.15 O ATOM 711 CB VAL A 86 -2.374 11.860 5.928 1.00 75.33 C ATOM 712 CG1 VAL A 86 -2.980 13.094 6.577 1.00 35.52 C ATOM 713 CG2 VAL A 86 -3.368 10.707 5.925 1.00 72.24 C ATOM 0 H VAL A 86 -1.189 10.207 4.484 1.00 52.32 H new ATOM 0 HA VAL A 86 -2.780 12.433 3.887 1.00 13.25 H new ATOM 0 HB VAL A 86 -1.505 11.561 6.514 1.00 75.33 H new ATOM 0 HG11 VAL A 86 -3.301 12.852 7.590 1.00 35.52 H new ATOM 0 HG12 VAL A 86 -2.235 13.889 6.613 1.00 35.52 H new ATOM 0 HG13 VAL A 86 -3.839 13.427 5.994 1.00 35.52 H new ATOM 0 HG21 VAL A 86 -3.685 10.497 6.947 1.00 72.24 H new ATOM 0 HG22 VAL A 86 -4.236 10.977 5.324 1.00 72.24 H new ATOM 0 HG23 VAL A 86 -2.895 9.820 5.503 1.00 72.24 H new ATOM 723 N LYS A 87 0.344 13.064 4.507 1.00 41.51 N ATOM 724 CA LYS A 87 1.367 14.103 4.536 1.00 40.12 C ATOM 725 C LYS A 87 2.254 14.028 3.297 1.00 11.14 C ATOM 726 O LYS A 87 2.654 15.054 2.745 1.00 4.34 O ATOM 727 CB LYS A 87 2.222 13.970 5.798 1.00 51.24 C ATOM 728 CG LYS A 87 1.482 14.328 7.075 1.00 41.23 C ATOM 729 CD LYS A 87 1.728 15.773 7.476 1.00 1.54 C ATOM 730 CE LYS A 87 1.049 16.108 8.795 1.00 3.21 C ATOM 731 NZ LYS A 87 -0.435 16.078 8.679 1.00 25.21 N ATOM 0 H LYS A 87 0.711 12.113 4.468 1.00 41.51 H new ATOM 0 HA LYS A 87 0.866 15.071 4.544 1.00 40.12 H new ATOM 0 HB2 LYS A 87 2.586 12.945 5.874 1.00 51.24 H new ATOM 0 HB3 LYS A 87 3.097 14.613 5.703 1.00 51.24 H new ATOM 0 HG2 LYS A 87 0.413 14.165 6.935 1.00 41.23 H new ATOM 0 HG3 LYS A 87 1.802 13.667 7.880 1.00 41.23 H new ATOM 0 HD2 LYS A 87 2.800 15.951 7.562 1.00 1.54 H new ATOM 0 HD3 LYS A 87 1.357 16.437 6.695 1.00 1.54 H new ATOM 0 HE2 LYS A 87 1.368 15.398 9.558 1.00 3.21 H new ATOM 0 HE3 LYS A 87 1.367 17.096 9.126 1.00 3.21 H new ATOM 0 HZ1 LYS A 87 -0.859 16.442 9.556 1.00 25.21 H new ATOM 0 HZ2 LYS A 87 -0.733 16.671 7.878 1.00 25.21 H new ATOM 0 HZ3 LYS A 87 -0.751 15.100 8.521 1.00 25.21 H new ATOM 745 N HIS A 88 2.555 12.809 2.863 1.00 5.13 N ATOM 746 CA HIS A 88 3.394 12.600 1.688 1.00 12.54 C ATOM 747 C HIS A 88 2.634 11.836 0.608 1.00 42.00 C ATOM 748 O HIS A 88 3.142 10.866 0.047 1.00 61.11 O ATOM 749 CB HIS A 88 4.665 11.841 2.070 1.00 31.00 C ATOM 750 CG HIS A 88 5.726 12.712 2.665 1.00 5.24 C ATOM 751 ND1 HIS A 88 5.965 12.787 4.022 1.00 3.31 N ATOM 752 CD2 HIS A 88 6.618 13.548 2.081 1.00 34.32 C ATOM 753 CE1 HIS A 88 6.956 13.632 4.246 1.00 4.44 C ATOM 754 NE2 HIS A 88 7.369 14.108 3.085 1.00 43.13 N ATOM 0 H HIS A 88 2.230 11.950 3.307 1.00 5.13 H new ATOM 0 HA HIS A 88 3.671 13.577 1.291 1.00 12.54 H new ATOM 0 HB2 HIS A 88 4.409 11.056 2.782 1.00 31.00 H new ATOM 0 HB3 HIS A 88 5.065 11.349 1.183 1.00 31.00 H new ATOM 0 HD2 HIS A 88 6.719 13.739 1.023 1.00 34.32 H new ATOM 0 HE1 HIS A 88 7.360 13.890 5.214 1.00 4.44 H new ATOM 0 HE2 HIS A 88 8.123 14.782 2.955 1.00 43.13 H new ATOM 763 N GLY A 89 1.414 12.278 0.322 1.00 2.43 N ATOM 764 CA GLY A 89 0.605 11.624 -0.688 1.00 72.31 C ATOM 765 C GLY A 89 0.585 12.386 -1.998 1.00 64.24 C ATOM 766 O GLY A 89 0.318 13.587 -2.022 1.00 62.41 O ATOM 0 H GLY A 89 0.971 13.079 0.773 1.00 2.43 H new ATOM 0 HA2 GLY A 89 0.989 10.619 -0.862 1.00 72.31 H new ATOM 0 HA3 GLY A 89 -0.415 11.516 -0.318 1.00 72.31 H new TER 770 GLY A 89