USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 649 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 56 HIS : no HD1:sc= 0.162 X(o=0.38,f=-0.065) USER MOD Set 1.2: A 60 LYS NZ :NH3+ 179:sc= 0.216 (180deg=0) USER MOD Set 2.1: A 26 ASN : amide:sc=-0.00865 K(o=0.098,f=-3!) USER MOD Set 2.2: A 81 SER OG : rot 59:sc= 0.107 USER MOD Set 3.1: A 8 TYR OH : rot 180:sc= 0.0129 USER MOD Set 3.2: A 17 SER OG : rot -137:sc= 2.01 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 165:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 170:sc=-0.00899 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -2.58 X(o=-2.6,f=-3!) USER MOD Single : A 41 SER OG : rot 81:sc= 1.25 USER MOD Single : A 42 SER OG : rot 180:sc= -0.0667 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.616 X(o=-0.62,f=-0.8) USER MOD Single : A 57 ASN : amide:sc= 0.0831 K(o=0.083,f=-5!) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0.053) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -110:sc= -0.047 USER MOD Single : A 77 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.2) USER MOD Single : A 80 SER OG : rot 89:sc= 0.452 USER MOD Single : A 85 SER OG : rot -41:sc= -0.224! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N LYS A 3 4.770 3.186 0.179 1.00 1.02 N ATOM 24 CA LYS A 3 5.398 4.285 -0.544 1.00 41.14 C ATOM 25 C LYS A 3 6.635 4.787 0.195 1.00 75.13 C ATOM 26 O LYS A 3 6.579 5.785 0.914 1.00 51.34 O ATOM 27 CB LYS A 3 4.403 5.433 -0.734 1.00 24.42 C ATOM 28 CG LYS A 3 3.231 5.079 -1.632 1.00 35.33 C ATOM 29 CD LYS A 3 2.054 4.548 -0.829 1.00 43.13 C ATOM 30 CE LYS A 3 0.851 4.274 -1.719 1.00 23.43 C ATOM 31 NZ LYS A 3 0.639 2.815 -1.930 1.00 64.14 N ATOM 0 HA LYS A 3 5.706 3.914 -1.521 1.00 41.14 H new ATOM 0 HB2 LYS A 3 4.024 5.739 0.241 1.00 24.42 H new ATOM 0 HB3 LYS A 3 4.927 6.291 -1.156 1.00 24.42 H new ATOM 0 HG2 LYS A 3 2.922 5.961 -2.193 1.00 35.33 H new ATOM 0 HG3 LYS A 3 3.543 4.331 -2.361 1.00 35.33 H new ATOM 0 HD2 LYS A 3 2.346 3.631 -0.317 1.00 43.13 H new ATOM 0 HD3 LYS A 3 1.782 5.270 -0.059 1.00 43.13 H new ATOM 0 HE2 LYS A 3 -0.041 4.709 -1.268 1.00 23.43 H new ATOM 0 HE3 LYS A 3 0.993 4.764 -2.682 1.00 23.43 H new ATOM 0 HZ1 LYS A 3 -0.190 2.669 -2.541 1.00 64.14 H new ATOM 0 HZ2 LYS A 3 1.480 2.404 -2.383 1.00 64.14 H new ATOM 0 HZ3 LYS A 3 0.478 2.351 -1.013 1.00 64.14 H new ATOM 45 N THR A 4 7.751 4.089 0.012 1.00 4.24 N ATOM 46 CA THR A 4 9.001 4.464 0.661 1.00 4.13 C ATOM 47 C THR A 4 10.193 4.214 -0.255 1.00 43.35 C ATOM 48 O THR A 4 10.179 3.292 -1.071 1.00 45.43 O ATOM 49 CB THR A 4 9.207 3.687 1.975 1.00 2.34 C ATOM 50 OG1 THR A 4 9.507 2.316 1.692 1.00 3.10 O ATOM 51 CG2 THR A 4 7.967 3.769 2.853 1.00 40.55 C ATOM 0 H THR A 4 7.815 3.261 -0.580 1.00 4.24 H new ATOM 0 HA THR A 4 8.934 5.529 0.883 1.00 4.13 H new ATOM 0 HB THR A 4 10.042 4.138 2.510 1.00 2.34 H new ATOM 0 HG1 THR A 4 9.638 1.830 2.533 1.00 3.10 H new ATOM 0 HG21 THR A 4 8.137 3.213 3.775 1.00 40.55 H new ATOM 0 HG22 THR A 4 7.758 4.812 3.091 1.00 40.55 H new ATOM 0 HG23 THR A 4 7.117 3.341 2.322 1.00 40.55 H new ATOM 59 N VAL A 5 11.225 5.041 -0.116 1.00 30.11 N ATOM 60 CA VAL A 5 12.427 4.908 -0.931 1.00 13.22 C ATOM 61 C VAL A 5 13.521 4.160 -0.178 1.00 42.11 C ATOM 62 O VAL A 5 13.910 4.549 0.924 1.00 73.23 O ATOM 63 CB VAL A 5 12.966 6.284 -1.364 1.00 54.44 C ATOM 64 CG1 VAL A 5 13.239 7.158 -0.150 1.00 14.15 C ATOM 65 CG2 VAL A 5 14.221 6.123 -2.208 1.00 61.21 C ATOM 0 H VAL A 5 11.253 5.810 0.553 1.00 30.11 H new ATOM 0 HA VAL A 5 12.147 4.340 -1.818 1.00 13.22 H new ATOM 0 HB VAL A 5 12.207 6.776 -1.972 1.00 54.44 H new ATOM 0 HG11 VAL A 5 13.619 8.126 -0.477 1.00 14.15 H new ATOM 0 HG12 VAL A 5 12.315 7.301 0.410 1.00 14.15 H new ATOM 0 HG13 VAL A 5 13.979 6.674 0.488 1.00 14.15 H new ATOM 0 HG21 VAL A 5 14.588 7.105 -2.505 1.00 61.21 H new ATOM 0 HG22 VAL A 5 14.987 5.610 -1.627 1.00 61.21 H new ATOM 0 HG23 VAL A 5 13.988 5.538 -3.098 1.00 61.21 H new ATOM 75 N LYS A 6 14.016 3.084 -0.780 1.00 41.02 N ATOM 76 CA LYS A 6 15.068 2.281 -0.169 1.00 21.51 C ATOM 77 C LYS A 6 16.440 2.691 -0.693 1.00 44.11 C ATOM 78 O LYS A 6 16.804 2.373 -1.826 1.00 41.23 O ATOM 79 CB LYS A 6 14.829 0.794 -0.445 1.00 13.41 C ATOM 80 CG LYS A 6 14.728 -0.049 0.814 1.00 73.41 C ATOM 81 CD LYS A 6 14.689 -1.533 0.489 1.00 64.31 C ATOM 82 CE LYS A 6 13.261 -2.044 0.383 1.00 34.04 C ATOM 83 NZ LYS A 6 13.071 -2.919 -0.807 1.00 32.04 N ATOM 0 H LYS A 6 13.705 2.748 -1.691 1.00 41.02 H new ATOM 0 HA LYS A 6 15.043 2.454 0.907 1.00 21.51 H new ATOM 0 HB2 LYS A 6 13.910 0.683 -1.021 1.00 13.41 H new ATOM 0 HB3 LYS A 6 15.641 0.413 -1.064 1.00 13.41 H new ATOM 0 HG2 LYS A 6 15.579 0.160 1.462 1.00 73.41 H new ATOM 0 HG3 LYS A 6 13.830 0.227 1.367 1.00 73.41 H new ATOM 0 HD2 LYS A 6 15.212 -1.715 -0.450 1.00 64.31 H new ATOM 0 HD3 LYS A 6 15.219 -2.090 1.262 1.00 64.31 H new ATOM 0 HE2 LYS A 6 13.006 -2.599 1.286 1.00 34.04 H new ATOM 0 HE3 LYS A 6 12.576 -1.198 0.325 1.00 34.04 H new ATOM 0 HZ1 LYS A 6 12.085 -3.247 -0.843 1.00 32.04 H new ATOM 0 HZ2 LYS A 6 13.290 -2.383 -1.671 1.00 32.04 H new ATOM 0 HZ3 LYS A 6 13.706 -3.740 -0.739 1.00 32.04 H new ATOM 97 N LEU A 7 17.199 3.397 0.138 1.00 50.42 N ATOM 98 CA LEU A 7 18.533 3.850 -0.241 1.00 51.25 C ATOM 99 C LEU A 7 19.550 2.722 -0.105 1.00 62.23 C ATOM 100 O LEU A 7 19.669 2.103 0.953 1.00 55.42 O ATOM 101 CB LEU A 7 18.954 5.039 0.623 1.00 3.44 C ATOM 102 CG LEU A 7 17.839 6.005 1.026 1.00 44.33 C ATOM 103 CD1 LEU A 7 18.398 7.148 1.860 1.00 60.14 C ATOM 104 CD2 LEU A 7 17.127 6.541 -0.208 1.00 3.33 C ATOM 0 H LEU A 7 16.913 3.668 1.079 1.00 50.42 H new ATOM 0 HA LEU A 7 18.501 4.161 -1.285 1.00 51.25 H new ATOM 0 HB2 LEU A 7 19.421 4.656 1.530 1.00 3.44 H new ATOM 0 HB3 LEU A 7 19.717 5.601 0.085 1.00 3.44 H new ATOM 0 HG LEU A 7 17.114 5.461 1.632 1.00 44.33 H new ATOM 0 HD11 LEU A 7 17.590 7.825 2.137 1.00 60.14 H new ATOM 0 HD12 LEU A 7 18.862 6.748 2.762 1.00 60.14 H new ATOM 0 HD13 LEU A 7 19.143 7.691 1.279 1.00 60.14 H new ATOM 0 HD21 LEU A 7 16.337 7.227 0.097 1.00 3.33 H new ATOM 0 HD22 LEU A 7 17.841 7.069 -0.840 1.00 3.33 H new ATOM 0 HD23 LEU A 7 16.692 5.712 -0.766 1.00 3.33 H new ATOM 116 N TYR A 8 20.284 2.461 -1.182 1.00 35.45 N ATOM 117 CA TYR A 8 21.291 1.407 -1.182 1.00 61.34 C ATOM 118 C TYR A 8 22.698 1.998 -1.172 1.00 74.52 C ATOM 119 O TYR A 8 23.025 2.861 -1.986 1.00 23.44 O ATOM 120 CB TYR A 8 21.114 0.504 -2.405 1.00 30.05 C ATOM 121 CG TYR A 8 20.038 -0.544 -2.232 1.00 63.51 C ATOM 122 CD1 TYR A 8 18.706 -0.252 -2.498 1.00 3.15 C ATOM 123 CD2 TYR A 8 20.354 -1.828 -1.805 1.00 24.34 C ATOM 124 CE1 TYR A 8 17.720 -1.207 -2.341 1.00 3.44 C ATOM 125 CE2 TYR A 8 19.375 -2.790 -1.646 1.00 41.23 C ATOM 126 CZ TYR A 8 18.060 -2.474 -1.915 1.00 54.00 C ATOM 127 OH TYR A 8 17.081 -3.428 -1.759 1.00 35.22 O ATOM 0 H TYR A 8 20.200 2.965 -2.065 1.00 35.45 H new ATOM 0 HA TYR A 8 21.159 0.813 -0.278 1.00 61.34 H new ATOM 0 HB2 TYR A 8 20.873 1.121 -3.270 1.00 30.05 H new ATOM 0 HB3 TYR A 8 22.061 0.009 -2.621 1.00 30.05 H new ATOM 0 HD1 TYR A 8 18.437 0.739 -2.833 1.00 3.15 H new ATOM 0 HD2 TYR A 8 21.383 -2.078 -1.594 1.00 24.34 H new ATOM 0 HE1 TYR A 8 16.689 -0.963 -2.551 1.00 3.44 H new ATOM 0 HE2 TYR A 8 19.638 -3.783 -1.313 1.00 41.23 H new ATOM 0 HH TYR A 8 17.487 -4.266 -1.454 1.00 35.22 H new ATOM 137 N GLU A 9 23.524 1.525 -0.245 1.00 24.33 N ATOM 138 CA GLU A 9 24.896 2.006 -0.128 1.00 12.01 C ATOM 139 C GLU A 9 25.758 1.476 -1.270 1.00 32.51 C ATOM 140 O GLU A 9 26.691 2.141 -1.719 1.00 10.54 O ATOM 141 CB GLU A 9 25.495 1.585 1.216 1.00 52.23 C ATOM 142 CG GLU A 9 25.861 0.112 1.284 1.00 35.05 C ATOM 143 CD GLU A 9 25.677 -0.471 2.672 1.00 13.43 C ATOM 144 OE1 GLU A 9 24.526 -0.494 3.158 1.00 42.43 O ATOM 145 OE2 GLU A 9 26.682 -0.903 3.273 1.00 64.01 O ATOM 0 H GLU A 9 23.268 0.810 0.436 1.00 24.33 H new ATOM 0 HA GLU A 9 24.878 3.094 -0.185 1.00 12.01 H new ATOM 0 HB2 GLU A 9 26.386 2.182 1.410 1.00 52.23 H new ATOM 0 HB3 GLU A 9 24.782 1.811 2.009 1.00 52.23 H new ATOM 0 HG2 GLU A 9 25.247 -0.444 0.576 1.00 35.05 H new ATOM 0 HG3 GLU A 9 26.898 -0.015 0.975 1.00 35.05 H new ATOM 152 N ASP A 10 25.438 0.273 -1.735 1.00 24.33 N ATOM 153 CA ASP A 10 26.182 -0.348 -2.825 1.00 23.25 C ATOM 154 C ASP A 10 25.373 -0.326 -4.117 1.00 55.32 C ATOM 155 O ASP A 10 24.150 -0.179 -4.095 1.00 11.12 O ATOM 156 CB ASP A 10 26.550 -1.788 -2.464 1.00 24.23 C ATOM 157 CG ASP A 10 27.941 -2.166 -2.935 1.00 51.33 C ATOM 158 OD1 ASP A 10 28.313 -1.771 -4.060 1.00 70.30 O ATOM 159 OD2 ASP A 10 28.657 -2.857 -2.180 1.00 52.50 O ATOM 0 H ASP A 10 24.669 -0.291 -1.374 1.00 24.33 H new ATOM 0 HA ASP A 10 27.096 0.225 -2.980 1.00 23.25 H new ATOM 0 HB2 ASP A 10 26.488 -1.916 -1.383 1.00 24.23 H new ATOM 0 HB3 ASP A 10 25.822 -2.468 -2.907 1.00 24.23 H new ATOM 164 N THR A 11 26.062 -0.471 -5.244 1.00 63.14 N ATOM 165 CA THR A 11 25.408 -0.465 -6.547 1.00 23.32 C ATOM 166 C THR A 11 24.849 -1.842 -6.887 1.00 52.33 C ATOM 167 O THR A 11 25.447 -2.866 -6.556 1.00 4.30 O ATOM 168 CB THR A 11 26.378 -0.028 -7.661 1.00 24.14 C ATOM 169 OG1 THR A 11 27.310 -1.079 -7.940 1.00 32.45 O ATOM 170 CG2 THR A 11 27.132 1.231 -7.258 1.00 62.44 C ATOM 0 H THR A 11 27.074 -0.594 -5.281 1.00 63.14 H new ATOM 0 HA THR A 11 24.590 0.252 -6.487 1.00 23.32 H new ATOM 0 HB THR A 11 25.795 0.187 -8.556 1.00 24.14 H new ATOM 0 HG1 THR A 11 27.922 -0.794 -8.650 1.00 32.45 H new ATOM 0 HG21 THR A 11 27.811 1.521 -8.060 1.00 62.44 H new ATOM 0 HG22 THR A 11 26.422 2.037 -7.075 1.00 62.44 H new ATOM 0 HG23 THR A 11 27.704 1.038 -6.350 1.00 62.44 H new ATOM 178 N HIS A 12 23.697 -1.860 -7.551 1.00 44.24 N ATOM 179 CA HIS A 12 23.058 -3.112 -7.938 1.00 75.13 C ATOM 180 C HIS A 12 22.660 -3.922 -6.708 1.00 24.03 C ATOM 181 O HIS A 12 22.735 -5.151 -6.710 1.00 52.03 O ATOM 182 CB HIS A 12 23.993 -3.935 -8.825 1.00 1.14 C ATOM 183 CG HIS A 12 23.281 -4.709 -9.891 1.00 30.24 C ATOM 184 ND1 HIS A 12 22.624 -4.110 -10.944 1.00 51.14 N ATOM 185 CD2 HIS A 12 23.127 -6.043 -10.063 1.00 12.13 C ATOM 186 CE1 HIS A 12 22.095 -5.041 -11.717 1.00 72.35 C ATOM 187 NE2 HIS A 12 22.386 -6.223 -11.205 1.00 31.23 N ATOM 0 H HIS A 12 23.188 -1.022 -7.832 1.00 44.24 H new ATOM 0 HA HIS A 12 22.156 -2.871 -8.500 1.00 75.13 H new ATOM 0 HB2 HIS A 12 24.716 -3.268 -9.294 1.00 1.14 H new ATOM 0 HB3 HIS A 12 24.557 -4.628 -8.200 1.00 1.14 H new ATOM 0 HD2 HIS A 12 23.515 -6.821 -9.422 1.00 12.13 H new ATOM 0 HE1 HIS A 12 21.522 -4.865 -12.615 1.00 72.35 H new ATOM 0 HE2 HIS A 12 22.106 -7.123 -11.594 1.00 31.23 H new ATOM 195 N PHE A 13 22.239 -3.225 -5.657 1.00 62.34 N ATOM 196 CA PHE A 13 21.832 -3.880 -4.419 1.00 40.54 C ATOM 197 C PHE A 13 22.906 -4.852 -3.939 1.00 51.53 C ATOM 198 O PHE A 13 22.635 -6.031 -3.710 1.00 42.50 O ATOM 199 CB PHE A 13 20.509 -4.622 -4.621 1.00 65.11 C ATOM 200 CG PHE A 13 19.495 -3.838 -5.404 1.00 63.21 C ATOM 201 CD1 PHE A 13 19.286 -2.494 -5.141 1.00 34.11 C ATOM 202 CD2 PHE A 13 18.752 -4.445 -6.403 1.00 61.25 C ATOM 203 CE1 PHE A 13 18.352 -1.771 -5.859 1.00 44.24 C ATOM 204 CE2 PHE A 13 17.818 -3.727 -7.126 1.00 13.13 C ATOM 205 CZ PHE A 13 17.619 -2.388 -6.854 1.00 15.42 C ATOM 0 H PHE A 13 22.171 -2.207 -5.638 1.00 62.34 H new ATOM 0 HA PHE A 13 21.697 -3.111 -3.658 1.00 40.54 H new ATOM 0 HB2 PHE A 13 20.704 -5.563 -5.135 1.00 65.11 H new ATOM 0 HB3 PHE A 13 20.089 -4.872 -3.647 1.00 65.11 H new ATOM 0 HD1 PHE A 13 19.859 -2.006 -4.367 1.00 34.11 H new ATOM 0 HD2 PHE A 13 18.904 -5.492 -6.620 1.00 61.25 H new ATOM 0 HE1 PHE A 13 18.195 -0.725 -5.642 1.00 44.24 H new ATOM 0 HE2 PHE A 13 17.245 -4.212 -7.902 1.00 13.13 H new ATOM 0 HZ PHE A 13 16.891 -1.824 -7.418 1.00 15.42 H new ATOM 215 N LYS A 14 24.127 -4.348 -3.790 1.00 35.43 N ATOM 216 CA LYS A 14 25.243 -5.170 -3.337 1.00 12.45 C ATOM 217 C LYS A 14 25.389 -5.100 -1.820 1.00 0.22 C ATOM 218 O LYS A 14 25.947 -6.003 -1.198 1.00 73.10 O ATOM 219 CB LYS A 14 26.542 -4.715 -4.006 1.00 72.31 C ATOM 220 CG LYS A 14 26.982 -5.612 -5.150 1.00 41.13 C ATOM 221 CD LYS A 14 28.148 -6.499 -4.747 1.00 33.34 C ATOM 222 CE LYS A 14 27.674 -7.875 -4.305 1.00 34.31 C ATOM 223 NZ LYS A 14 28.681 -8.931 -4.603 1.00 74.12 N ATOM 0 H LYS A 14 24.368 -3.375 -3.976 1.00 35.43 H new ATOM 0 HA LYS A 14 25.039 -6.203 -3.618 1.00 12.45 H new ATOM 0 HB2 LYS A 14 26.412 -3.700 -4.381 1.00 72.31 H new ATOM 0 HB3 LYS A 14 27.334 -4.680 -3.258 1.00 72.31 H new ATOM 0 HG2 LYS A 14 26.145 -6.233 -5.469 1.00 41.13 H new ATOM 0 HG3 LYS A 14 27.268 -4.999 -6.005 1.00 41.13 H new ATOM 0 HD2 LYS A 14 28.835 -6.602 -5.587 1.00 33.34 H new ATOM 0 HD3 LYS A 14 28.703 -6.026 -3.937 1.00 33.34 H new ATOM 0 HE2 LYS A 14 27.468 -7.862 -3.235 1.00 34.31 H new ATOM 0 HE3 LYS A 14 26.737 -8.115 -4.807 1.00 34.31 H new ATOM 0 HZ1 LYS A 14 28.320 -9.854 -4.287 1.00 74.12 H new ATOM 0 HZ2 LYS A 14 28.859 -8.962 -5.627 1.00 74.12 H new ATOM 0 HZ3 LYS A 14 29.568 -8.716 -4.104 1.00 74.12 H new ATOM 237 N GLY A 15 24.883 -4.021 -1.230 1.00 33.13 N ATOM 238 CA GLY A 15 24.966 -3.855 0.209 1.00 1.25 C ATOM 239 C GLY A 15 23.607 -3.910 0.879 1.00 4.33 C ATOM 240 O GLY A 15 22.756 -4.716 0.506 1.00 74.53 O ATOM 0 H GLY A 15 24.417 -3.259 -1.723 1.00 33.13 H new ATOM 0 HA2 GLY A 15 25.604 -4.634 0.625 1.00 1.25 H new ATOM 0 HA3 GLY A 15 25.440 -2.900 0.435 1.00 1.25 H new ATOM 244 N TYR A 16 23.404 -3.051 1.872 1.00 22.34 N ATOM 245 CA TYR A 16 22.141 -3.008 2.599 1.00 73.22 C ATOM 246 C TYR A 16 21.226 -1.925 2.036 1.00 14.22 C ATOM 247 O TYR A 16 21.604 -1.189 1.125 1.00 12.51 O ATOM 248 CB TYR A 16 22.392 -2.757 4.087 1.00 60.14 C ATOM 249 CG TYR A 16 21.404 -3.455 4.994 1.00 51.13 C ATOM 250 CD1 TYR A 16 21.390 -4.840 5.103 1.00 20.04 C ATOM 251 CD2 TYR A 16 20.484 -2.730 5.740 1.00 13.53 C ATOM 252 CE1 TYR A 16 20.489 -5.482 5.930 1.00 34.14 C ATOM 253 CE2 TYR A 16 19.580 -3.363 6.571 1.00 52.11 C ATOM 254 CZ TYR A 16 19.586 -4.739 6.662 1.00 30.24 C ATOM 255 OH TYR A 16 18.686 -5.374 7.488 1.00 62.04 O ATOM 0 H TYR A 16 24.098 -2.375 2.192 1.00 22.34 H new ATOM 0 HA TYR A 16 21.649 -3.973 2.479 1.00 73.22 H new ATOM 0 HB2 TYR A 16 23.400 -3.088 4.338 1.00 60.14 H new ATOM 0 HB3 TYR A 16 22.353 -1.685 4.278 1.00 60.14 H new ATOM 0 HD1 TYR A 16 22.096 -5.425 4.531 1.00 20.04 H new ATOM 0 HD2 TYR A 16 20.475 -1.652 5.669 1.00 13.53 H new ATOM 0 HE1 TYR A 16 20.491 -6.560 6.003 1.00 34.14 H new ATOM 0 HE2 TYR A 16 18.873 -2.784 7.146 1.00 52.11 H new ATOM 0 HH TYR A 16 18.122 -4.707 7.932 1.00 62.04 H new ATOM 265 N SER A 17 20.019 -1.834 2.587 1.00 43.21 N ATOM 266 CA SER A 17 19.047 -0.843 2.139 1.00 24.11 C ATOM 267 C SER A 17 18.324 -0.217 3.327 1.00 14.31 C ATOM 268 O SER A 17 18.015 -0.894 4.308 1.00 55.41 O ATOM 269 CB SER A 17 18.033 -1.485 1.190 1.00 4.03 C ATOM 270 OG SER A 17 18.284 -2.871 1.038 1.00 30.41 O ATOM 0 H SER A 17 19.691 -2.434 3.344 1.00 43.21 H new ATOM 0 HA SER A 17 19.584 -0.057 1.607 1.00 24.11 H new ATOM 0 HB2 SER A 17 17.024 -1.335 1.575 1.00 4.03 H new ATOM 0 HB3 SER A 17 18.079 -0.995 0.217 1.00 4.03 H new ATOM 0 HG SER A 17 18.199 -3.117 0.093 1.00 30.41 H new ATOM 276 N VAL A 18 18.056 1.082 3.231 1.00 30.13 N ATOM 277 CA VAL A 18 17.368 1.801 4.296 1.00 13.25 C ATOM 278 C VAL A 18 16.106 2.479 3.775 1.00 14.13 C ATOM 279 O VAL A 18 16.140 3.186 2.769 1.00 71.13 O ATOM 280 CB VAL A 18 18.281 2.863 4.937 1.00 15.52 C ATOM 281 CG1 VAL A 18 18.698 3.901 3.906 1.00 13.34 C ATOM 282 CG2 VAL A 18 17.583 3.523 6.118 1.00 61.35 C ATOM 0 H VAL A 18 18.305 1.657 2.426 1.00 30.13 H new ATOM 0 HA VAL A 18 17.095 1.064 5.051 1.00 13.25 H new ATOM 0 HB VAL A 18 19.180 2.370 5.305 1.00 15.52 H new ATOM 0 HG11 VAL A 18 19.343 4.643 4.377 1.00 13.34 H new ATOM 0 HG12 VAL A 18 19.239 3.412 3.096 1.00 13.34 H new ATOM 0 HG13 VAL A 18 17.811 4.392 3.505 1.00 13.34 H new ATOM 0 HG21 VAL A 18 18.242 4.271 6.559 1.00 61.35 H new ATOM 0 HG22 VAL A 18 16.666 4.004 5.777 1.00 61.35 H new ATOM 0 HG23 VAL A 18 17.340 2.768 6.865 1.00 61.35 H new ATOM 292 N GLU A 19 14.993 2.259 4.468 1.00 33.32 N ATOM 293 CA GLU A 19 13.719 2.849 4.074 1.00 32.32 C ATOM 294 C GLU A 19 13.632 4.305 4.523 1.00 74.31 C ATOM 295 O GLU A 19 13.960 4.636 5.663 1.00 20.41 O ATOM 296 CB GLU A 19 12.556 2.050 4.668 1.00 42.34 C ATOM 297 CG GLU A 19 12.258 2.395 6.117 1.00 24.12 C ATOM 298 CD GLU A 19 13.445 2.155 7.030 1.00 63.43 C ATOM 299 OE1 GLU A 19 14.139 1.133 6.845 1.00 31.24 O ATOM 300 OE2 GLU A 19 13.680 2.989 7.928 1.00 5.55 O ATOM 0 H GLU A 19 14.948 1.677 5.304 1.00 33.32 H new ATOM 0 HA GLU A 19 13.654 2.818 2.986 1.00 32.32 H new ATOM 0 HB2 GLU A 19 11.662 2.227 4.070 1.00 42.34 H new ATOM 0 HB3 GLU A 19 12.783 0.986 4.596 1.00 42.34 H new ATOM 0 HG2 GLU A 19 11.959 3.441 6.183 1.00 24.12 H new ATOM 0 HG3 GLU A 19 11.413 1.799 6.462 1.00 24.12 H new ATOM 307 N LEU A 20 13.188 5.171 3.619 1.00 74.54 N ATOM 308 CA LEU A 20 13.057 6.592 3.920 1.00 62.02 C ATOM 309 C LEU A 20 11.724 7.135 3.415 1.00 2.42 C ATOM 310 O LEU A 20 11.618 7.656 2.304 1.00 24.53 O ATOM 311 CB LEU A 20 14.211 7.375 3.291 1.00 61.34 C ATOM 312 CG LEU A 20 15.411 7.647 4.198 1.00 22.23 C ATOM 313 CD1 LEU A 20 14.995 8.486 5.396 1.00 11.03 C ATOM 314 CD2 LEU A 20 16.042 6.339 4.654 1.00 4.41 C ATOM 0 H LEU A 20 12.913 4.914 2.671 1.00 74.54 H new ATOM 0 HA LEU A 20 13.091 6.714 5.003 1.00 62.02 H new ATOM 0 HB2 LEU A 20 14.560 6.828 2.415 1.00 61.34 H new ATOM 0 HB3 LEU A 20 13.825 8.331 2.937 1.00 61.34 H new ATOM 0 HG LEU A 20 16.153 8.206 3.629 1.00 22.23 H new ATOM 0 HD11 LEU A 20 15.862 8.670 6.030 1.00 11.03 H new ATOM 0 HD12 LEU A 20 14.590 9.437 5.051 1.00 11.03 H new ATOM 0 HD13 LEU A 20 14.234 7.953 5.967 1.00 11.03 H new ATOM 0 HD21 LEU A 20 16.895 6.552 5.299 1.00 4.41 H new ATOM 0 HD22 LEU A 20 15.307 5.753 5.206 1.00 4.41 H new ATOM 0 HD23 LEU A 20 16.377 5.774 3.784 1.00 4.41 H new ATOM 326 N PRO A 21 10.682 7.015 4.250 1.00 14.24 N ATOM 327 CA PRO A 21 9.337 7.491 3.912 1.00 41.02 C ATOM 328 C PRO A 21 9.254 9.013 3.871 1.00 41.04 C ATOM 329 O PRO A 21 10.153 9.707 4.347 1.00 74.12 O ATOM 330 CB PRO A 21 8.469 6.939 5.045 1.00 23.43 C ATOM 331 CG PRO A 21 9.406 6.770 6.192 1.00 71.25 C ATOM 332 CD PRO A 21 10.735 6.406 5.590 1.00 62.11 C ATOM 0 HA PRO A 21 9.026 7.162 2.920 1.00 41.02 H new ATOM 0 HB2 PRO A 21 7.659 7.625 5.293 1.00 23.43 H new ATOM 0 HB3 PRO A 21 8.010 5.991 4.766 1.00 23.43 H new ATOM 0 HG2 PRO A 21 9.480 7.688 6.774 1.00 71.25 H new ATOM 0 HG3 PRO A 21 9.057 5.990 6.869 1.00 71.25 H new ATOM 0 HD2 PRO A 21 11.564 6.800 6.178 1.00 62.11 H new ATOM 0 HD3 PRO A 21 10.869 5.326 5.535 1.00 62.11 H new ATOM 340 N VAL A 22 8.170 9.527 3.299 1.00 74.24 N ATOM 341 CA VAL A 22 7.969 10.967 3.197 1.00 54.32 C ATOM 342 C VAL A 22 8.663 11.701 4.338 1.00 4.13 C ATOM 343 O VAL A 22 8.514 11.340 5.505 1.00 61.33 O ATOM 344 CB VAL A 22 6.471 11.327 3.206 1.00 0.01 C ATOM 345 CG1 VAL A 22 5.798 10.779 4.455 1.00 12.43 C ATOM 346 CG2 VAL A 22 6.285 12.834 3.107 1.00 32.40 C ATOM 0 H VAL A 22 7.417 8.967 2.899 1.00 74.24 H new ATOM 0 HA VAL A 22 8.405 11.281 2.248 1.00 54.32 H new ATOM 0 HB VAL A 22 5.999 10.868 2.337 1.00 0.01 H new ATOM 0 HG11 VAL A 22 4.741 11.043 4.444 1.00 12.43 H new ATOM 0 HG12 VAL A 22 5.901 9.694 4.478 1.00 12.43 H new ATOM 0 HG13 VAL A 22 6.270 11.207 5.340 1.00 12.43 H new ATOM 0 HG21 VAL A 22 5.221 13.071 3.115 1.00 32.40 H new ATOM 0 HG22 VAL A 22 6.770 13.317 3.955 1.00 32.40 H new ATOM 0 HG23 VAL A 22 6.730 13.195 2.180 1.00 32.40 H new ATOM 356 N GLY A 23 9.424 12.736 3.993 1.00 23.34 N ATOM 357 CA GLY A 23 10.131 13.505 5.001 1.00 41.14 C ATOM 358 C GLY A 23 11.438 14.073 4.485 1.00 41.53 C ATOM 359 O GLY A 23 11.847 13.785 3.360 1.00 50.53 O ATOM 0 H GLY A 23 9.563 13.055 3.034 1.00 23.34 H new ATOM 0 HA2 GLY A 23 9.494 14.320 5.344 1.00 41.14 H new ATOM 0 HA3 GLY A 23 10.330 12.870 5.865 1.00 41.14 H new ATOM 363 N ASP A 24 12.095 14.884 5.307 1.00 34.13 N ATOM 364 CA ASP A 24 13.363 15.495 4.928 1.00 40.13 C ATOM 365 C ASP A 24 14.446 15.182 5.955 1.00 1.45 C ATOM 366 O ASP A 24 14.268 15.416 7.151 1.00 14.21 O ATOM 367 CB ASP A 24 13.201 17.009 4.784 1.00 42.24 C ATOM 368 CG ASP A 24 11.783 17.408 4.427 1.00 13.53 C ATOM 369 OD1 ASP A 24 11.195 16.769 3.530 1.00 14.42 O ATOM 370 OD2 ASP A 24 11.261 18.361 5.045 1.00 61.32 O ATOM 0 H ASP A 24 11.770 15.133 6.241 1.00 34.13 H new ATOM 0 HA ASP A 24 13.667 15.077 3.968 1.00 40.13 H new ATOM 0 HB2 ASP A 24 13.487 17.493 5.718 1.00 42.24 H new ATOM 0 HB3 ASP A 24 13.882 17.373 4.015 1.00 42.24 H new ATOM 375 N TYR A 25 15.568 14.652 5.482 1.00 30.30 N ATOM 376 CA TYR A 25 16.679 14.303 6.360 1.00 13.41 C ATOM 377 C TYR A 25 17.993 14.861 5.823 1.00 2.43 C ATOM 378 O TYR A 25 18.222 14.887 4.615 1.00 51.22 O ATOM 379 CB TYR A 25 16.780 12.785 6.511 1.00 61.41 C ATOM 380 CG TYR A 25 16.580 12.033 5.214 1.00 30.34 C ATOM 381 CD1 TYR A 25 15.322 11.937 4.631 1.00 3.03 C ATOM 382 CD2 TYR A 25 17.648 11.417 4.573 1.00 12.32 C ATOM 383 CE1 TYR A 25 15.134 11.251 3.447 1.00 24.52 C ATOM 384 CE2 TYR A 25 17.469 10.730 3.388 1.00 4.02 C ATOM 385 CZ TYR A 25 16.211 10.649 2.829 1.00 10.34 C ATOM 386 OH TYR A 25 16.029 9.964 1.650 1.00 50.42 O ATOM 0 H TYR A 25 15.733 14.454 4.495 1.00 30.30 H new ATOM 0 HA TYR A 25 16.490 14.746 7.338 1.00 13.41 H new ATOM 0 HB2 TYR A 25 17.758 12.533 6.920 1.00 61.41 H new ATOM 0 HB3 TYR A 25 16.036 12.450 7.234 1.00 61.41 H new ATOM 0 HD1 TYR A 25 14.477 12.407 5.112 1.00 3.03 H new ATOM 0 HD2 TYR A 25 18.634 11.476 5.009 1.00 12.32 H new ATOM 0 HE1 TYR A 25 14.150 11.186 3.007 1.00 24.52 H new ATOM 0 HE2 TYR A 25 18.310 10.259 2.902 1.00 4.02 H new ATOM 0 HH TYR A 25 16.898 9.808 1.225 1.00 50.42 H new ATOM 396 N ASN A 26 18.854 15.307 6.732 1.00 25.23 N ATOM 397 CA ASN A 26 20.147 15.865 6.352 1.00 61.33 C ATOM 398 C ASN A 26 21.275 14.884 6.658 1.00 34.43 C ATOM 399 O ASN A 26 21.030 13.718 6.973 1.00 52.10 O ATOM 400 CB ASN A 26 20.392 17.185 7.085 1.00 52.34 C ATOM 401 CG ASN A 26 19.184 18.102 7.043 1.00 23.22 C ATOM 402 OD1 ASN A 26 18.815 18.613 5.986 1.00 60.01 O ATOM 403 ND2 ASN A 26 18.563 18.314 8.198 1.00 50.05 N ATOM 0 H ASN A 26 18.680 15.293 7.737 1.00 25.23 H new ATOM 0 HA ASN A 26 20.132 16.051 5.278 1.00 61.33 H new ATOM 0 HB2 ASN A 26 20.652 16.978 8.123 1.00 52.34 H new ATOM 0 HB3 ASN A 26 21.246 17.693 6.637 1.00 52.34 H new ATOM 0 HD21 ASN A 26 17.745 18.922 8.233 1.00 50.05 H new ATOM 0 HD22 ASN A 26 18.905 17.869 9.050 1.00 50.05 H new ATOM 410 N LEU A 27 22.510 15.363 6.565 1.00 70.21 N ATOM 411 CA LEU A 27 23.676 14.529 6.833 1.00 65.21 C ATOM 412 C LEU A 27 23.564 13.858 8.198 1.00 70.41 C ATOM 413 O LEU A 27 23.666 12.636 8.310 1.00 33.04 O ATOM 414 CB LEU A 27 24.954 15.368 6.768 1.00 13.02 C ATOM 415 CG LEU A 27 26.208 14.728 7.364 1.00 2.22 C ATOM 416 CD1 LEU A 27 27.446 15.163 6.595 1.00 0.33 C ATOM 417 CD2 LEU A 27 26.340 15.085 8.838 1.00 63.04 C ATOM 0 H LEU A 27 22.730 16.325 6.306 1.00 70.21 H new ATOM 0 HA LEU A 27 23.719 13.752 6.069 1.00 65.21 H new ATOM 0 HB2 LEU A 27 25.154 15.608 5.724 1.00 13.02 H new ATOM 0 HB3 LEU A 27 24.772 16.311 7.283 1.00 13.02 H new ATOM 0 HG LEU A 27 26.115 13.645 7.280 1.00 2.22 H new ATOM 0 HD11 LEU A 27 28.329 14.698 7.033 1.00 0.33 H new ATOM 0 HD12 LEU A 27 27.354 14.856 5.553 1.00 0.33 H new ATOM 0 HD13 LEU A 27 27.544 16.247 6.647 1.00 0.33 H new ATOM 0 HD21 LEU A 27 27.238 14.621 9.246 1.00 63.04 H new ATOM 0 HD22 LEU A 27 26.410 16.167 8.945 1.00 63.04 H new ATOM 0 HD23 LEU A 27 25.466 14.723 9.380 1.00 63.04 H new ATOM 429 N SER A 28 23.351 14.664 9.233 1.00 43.43 N ATOM 430 CA SER A 28 23.226 14.149 10.591 1.00 62.21 C ATOM 431 C SER A 28 22.065 13.164 10.694 1.00 41.54 C ATOM 432 O SER A 28 22.175 12.123 11.340 1.00 23.21 O ATOM 433 CB SER A 28 23.023 15.299 11.579 1.00 4.10 C ATOM 434 OG SER A 28 23.905 15.185 12.683 1.00 73.52 O ATOM 0 H SER A 28 23.261 15.677 9.157 1.00 43.43 H new ATOM 0 HA SER A 28 24.148 13.624 10.840 1.00 62.21 H new ATOM 0 HB2 SER A 28 23.189 16.250 11.074 1.00 4.10 H new ATOM 0 HB3 SER A 28 21.992 15.301 11.932 1.00 4.10 H new ATOM 0 HG SER A 28 23.757 15.933 13.299 1.00 73.52 H new ATOM 440 N SER A 29 20.952 13.503 10.051 1.00 50.12 N ATOM 441 CA SER A 29 19.768 12.652 10.072 1.00 1.01 C ATOM 442 C SER A 29 20.054 11.307 9.411 1.00 31.02 C ATOM 443 O SER A 29 19.452 10.290 9.759 1.00 12.43 O ATOM 444 CB SER A 29 18.603 13.345 9.362 1.00 23.31 C ATOM 445 OG SER A 29 17.403 12.607 9.512 1.00 31.34 O ATOM 0 H SER A 29 20.845 14.361 9.509 1.00 50.12 H new ATOM 0 HA SER A 29 19.496 12.475 11.113 1.00 1.01 H new ATOM 0 HB2 SER A 29 18.470 14.348 9.768 1.00 23.31 H new ATOM 0 HB3 SER A 29 18.834 13.458 8.303 1.00 23.31 H new ATOM 0 HG SER A 29 16.647 13.143 9.193 1.00 31.34 H new ATOM 451 N LEU A 30 20.977 11.309 8.456 1.00 73.04 N ATOM 452 CA LEU A 30 21.344 10.089 7.744 1.00 1.53 C ATOM 453 C LEU A 30 22.141 9.152 8.646 1.00 11.20 C ATOM 454 O LEU A 30 22.051 7.930 8.521 1.00 5.43 O ATOM 455 CB LEU A 30 22.160 10.430 6.496 1.00 74.14 C ATOM 456 CG LEU A 30 21.407 11.154 5.379 1.00 74.21 C ATOM 457 CD1 LEU A 30 22.336 12.100 4.635 1.00 51.30 C ATOM 458 CD2 LEU A 30 20.783 10.151 4.419 1.00 44.12 C ATOM 0 H LEU A 30 21.485 12.141 8.156 1.00 73.04 H new ATOM 0 HA LEU A 30 20.427 9.582 7.444 1.00 1.53 H new ATOM 0 HB2 LEU A 30 23.006 11.048 6.797 1.00 74.14 H new ATOM 0 HB3 LEU A 30 22.570 9.505 6.090 1.00 74.14 H new ATOM 0 HG LEU A 30 20.607 11.742 5.828 1.00 74.21 H new ATOM 0 HD11 LEU A 30 21.783 12.606 3.844 1.00 51.30 H new ATOM 0 HD12 LEU A 30 22.735 12.840 5.329 1.00 51.30 H new ATOM 0 HD13 LEU A 30 23.158 11.533 4.197 1.00 51.30 H new ATOM 0 HD21 LEU A 30 20.251 10.684 3.631 1.00 44.12 H new ATOM 0 HD22 LEU A 30 21.566 9.535 3.976 1.00 44.12 H new ATOM 0 HD23 LEU A 30 20.084 9.514 4.962 1.00 44.12 H new ATOM 470 N ILE A 31 22.918 9.732 9.555 1.00 54.33 N ATOM 471 CA ILE A 31 23.727 8.949 10.479 1.00 21.44 C ATOM 472 C ILE A 31 22.852 8.069 11.366 1.00 24.20 C ATOM 473 O ILE A 31 23.197 6.923 11.654 1.00 71.42 O ATOM 474 CB ILE A 31 24.597 9.853 11.372 1.00 43.22 C ATOM 475 CG1 ILE A 31 25.298 10.918 10.526 1.00 1.51 C ATOM 476 CG2 ILE A 31 25.616 9.021 12.136 1.00 0.11 C ATOM 477 CD1 ILE A 31 26.047 10.352 9.340 1.00 4.14 C ATOM 0 H ILE A 31 23.004 10.742 9.671 1.00 54.33 H new ATOM 0 HA ILE A 31 24.377 8.318 9.872 1.00 21.44 H new ATOM 0 HB ILE A 31 23.952 10.354 12.094 1.00 43.22 H new ATOM 0 HG12 ILE A 31 24.557 11.633 10.169 1.00 1.51 H new ATOM 0 HG13 ILE A 31 25.996 11.470 11.156 1.00 1.51 H new ATOM 0 HG21 ILE A 31 26.223 9.675 12.762 1.00 0.11 H new ATOM 0 HG22 ILE A 31 25.097 8.296 12.763 1.00 0.11 H new ATOM 0 HG23 ILE A 31 26.259 8.495 11.430 1.00 0.11 H new ATOM 0 HD11 ILE A 31 26.519 11.164 8.786 1.00 4.14 H new ATOM 0 HD12 ILE A 31 26.812 9.659 9.690 1.00 4.14 H new ATOM 0 HD13 ILE A 31 25.351 9.825 8.688 1.00 4.14 H new ATOM 489 N SER A 32 21.718 8.613 11.795 1.00 71.31 N ATOM 490 CA SER A 32 20.794 7.878 12.651 1.00 53.12 C ATOM 491 C SER A 32 20.200 6.684 11.910 1.00 72.10 C ATOM 492 O SER A 32 20.167 5.569 12.432 1.00 44.41 O ATOM 493 CB SER A 32 19.673 8.800 13.137 1.00 64.33 C ATOM 494 OG SER A 32 20.196 9.901 13.859 1.00 43.10 O ATOM 0 H SER A 32 21.417 9.560 11.564 1.00 71.31 H new ATOM 0 HA SER A 32 21.351 7.509 13.512 1.00 53.12 H new ATOM 0 HB2 SER A 32 19.099 9.160 12.284 1.00 64.33 H new ATOM 0 HB3 SER A 32 18.985 8.239 13.770 1.00 64.33 H new ATOM 0 HG SER A 32 19.460 10.476 14.157 1.00 43.10 H new ATOM 500 N ARG A 33 19.731 6.926 10.690 1.00 31.22 N ATOM 501 CA ARG A 33 19.137 5.872 9.877 1.00 32.41 C ATOM 502 C ARG A 33 20.161 4.784 9.564 1.00 53.54 C ATOM 503 O ARG A 33 19.801 3.661 9.215 1.00 62.21 O ATOM 504 CB ARG A 33 18.581 6.454 8.576 1.00 34.33 C ATOM 505 CG ARG A 33 17.088 6.738 8.625 1.00 23.13 C ATOM 506 CD ARG A 33 16.800 8.225 8.492 1.00 52.00 C ATOM 507 NE ARG A 33 15.467 8.570 8.980 1.00 22.11 N ATOM 508 CZ ARG A 33 15.146 8.619 10.268 1.00 23.12 C ATOM 509 NH1 ARG A 33 16.057 8.347 11.193 1.00 42.15 N ATOM 510 NH2 ARG A 33 13.912 8.941 10.634 1.00 61.01 N ATOM 0 H ARG A 33 19.751 7.843 10.243 1.00 31.22 H new ATOM 0 HA ARG A 33 18.321 5.426 10.445 1.00 32.41 H new ATOM 0 HB2 ARG A 33 19.111 7.378 8.346 1.00 34.33 H new ATOM 0 HB3 ARG A 33 18.784 5.759 7.761 1.00 34.33 H new ATOM 0 HG2 ARG A 33 16.587 6.196 7.823 1.00 23.13 H new ATOM 0 HG3 ARG A 33 16.677 6.369 9.565 1.00 23.13 H new ATOM 0 HD2 ARG A 33 17.547 8.790 9.049 1.00 52.00 H new ATOM 0 HD3 ARG A 33 16.891 8.520 7.447 1.00 52.00 H new ATOM 0 HE ARG A 33 14.743 8.785 8.294 1.00 22.11 H new ATOM 0 HH11 ARG A 33 17.007 8.099 10.916 1.00 42.15 H new ATOM 0 HH12 ARG A 33 15.808 8.385 12.181 1.00 42.15 H new ATOM 0 HH21 ARG A 33 13.209 9.151 9.926 1.00 61.01 H new ATOM 0 HH22 ARG A 33 13.667 8.978 11.623 1.00 61.01 H new ATOM 524 N GLY A 34 21.439 5.128 9.690 1.00 51.21 N ATOM 525 CA GLY A 34 22.495 4.171 9.416 1.00 50.32 C ATOM 526 C GLY A 34 23.221 4.465 8.118 1.00 72.11 C ATOM 527 O GLY A 34 24.230 3.833 7.807 1.00 71.03 O ATOM 0 H GLY A 34 21.762 6.052 9.977 1.00 51.21 H new ATOM 0 HA2 GLY A 34 23.210 4.178 10.239 1.00 50.32 H new ATOM 0 HA3 GLY A 34 22.070 3.168 9.372 1.00 50.32 H new ATOM 531 N ALA A 35 22.705 5.425 7.358 1.00 44.43 N ATOM 532 CA ALA A 35 23.311 5.801 6.086 1.00 4.44 C ATOM 533 C ALA A 35 24.383 6.869 6.283 1.00 34.43 C ATOM 534 O ALA A 35 24.102 7.961 6.777 1.00 15.42 O ATOM 535 CB ALA A 35 22.245 6.293 5.119 1.00 43.05 C ATOM 0 H ALA A 35 21.869 5.957 7.601 1.00 44.43 H new ATOM 0 HA ALA A 35 23.789 4.917 5.664 1.00 4.44 H new ATOM 0 HB1 ALA A 35 22.711 6.570 4.174 1.00 43.05 H new ATOM 0 HB2 ALA A 35 21.517 5.500 4.946 1.00 43.05 H new ATOM 0 HB3 ALA A 35 21.741 7.161 5.544 1.00 43.05 H new ATOM 541 N LEU A 36 25.611 6.545 5.895 1.00 42.50 N ATOM 542 CA LEU A 36 26.726 7.477 6.029 1.00 31.14 C ATOM 543 C LEU A 36 26.711 8.510 4.907 1.00 14.13 C ATOM 544 O LEU A 36 26.660 8.160 3.729 1.00 3.30 O ATOM 545 CB LEU A 36 28.054 6.718 6.021 1.00 1.13 C ATOM 546 CG LEU A 36 29.240 7.434 6.668 1.00 43.32 C ATOM 547 CD1 LEU A 36 29.621 8.669 5.865 1.00 71.52 C ATOM 548 CD2 LEU A 36 28.916 7.811 8.106 1.00 25.43 C ATOM 0 H LEU A 36 25.860 5.645 5.485 1.00 42.50 H new ATOM 0 HA LEU A 36 26.618 7.999 6.980 1.00 31.14 H new ATOM 0 HB2 LEU A 36 27.908 5.766 6.531 1.00 1.13 H new ATOM 0 HB3 LEU A 36 28.313 6.490 4.987 1.00 1.13 H new ATOM 0 HG LEU A 36 30.091 6.753 6.675 1.00 43.32 H new ATOM 0 HD11 LEU A 36 30.467 9.166 6.341 1.00 71.52 H new ATOM 0 HD12 LEU A 36 29.896 8.374 4.852 1.00 71.52 H new ATOM 0 HD13 LEU A 36 28.774 9.353 5.826 1.00 71.52 H new ATOM 0 HD21 LEU A 36 29.772 8.320 8.550 1.00 25.43 H new ATOM 0 HD22 LEU A 36 28.051 8.474 8.122 1.00 25.43 H new ATOM 0 HD23 LEU A 36 28.693 6.910 8.677 1.00 25.43 H new ATOM 560 N ASN A 37 26.756 9.784 5.283 1.00 44.35 N ATOM 561 CA ASN A 37 26.749 10.869 4.308 1.00 65.15 C ATOM 562 C ASN A 37 27.826 10.654 3.248 1.00 52.53 C ATOM 563 O ASN A 37 28.975 10.349 3.568 1.00 52.40 O ATOM 564 CB ASN A 37 26.967 12.212 5.007 1.00 53.44 C ATOM 565 CG ASN A 37 28.356 12.336 5.603 1.00 74.01 C ATOM 566 OD1 ASN A 37 29.331 12.573 4.890 1.00 55.53 O ATOM 567 ND2 ASN A 37 28.451 12.175 6.918 1.00 63.44 N ATOM 0 H ASN A 37 26.798 10.090 6.255 1.00 44.35 H new ATOM 0 HA ASN A 37 25.776 10.877 3.817 1.00 65.15 H new ATOM 0 HB2 ASN A 37 26.808 13.020 4.293 1.00 53.44 H new ATOM 0 HB3 ASN A 37 26.224 12.333 5.796 1.00 53.44 H new ATOM 0 HD21 ASN A 37 29.359 12.247 7.376 1.00 63.44 H new ATOM 0 HD22 ASN A 37 27.615 11.980 7.470 1.00 63.44 H new ATOM 574 N ASP A 38 27.446 10.817 1.985 1.00 33.33 N ATOM 575 CA ASP A 38 28.378 10.643 0.878 1.00 61.14 C ATOM 576 C ASP A 38 28.874 9.202 0.806 1.00 4.11 C ATOM 577 O ASP A 38 29.993 8.899 1.221 1.00 2.11 O ATOM 578 CB ASP A 38 29.564 11.597 1.027 1.00 41.12 C ATOM 579 CG ASP A 38 29.170 12.915 1.663 1.00 10.41 C ATOM 580 OD1 ASP A 38 28.068 13.415 1.357 1.00 54.42 O ATOM 581 OD2 ASP A 38 29.964 13.448 2.467 1.00 63.32 O ATOM 0 H ASP A 38 26.499 11.069 1.703 1.00 33.33 H new ATOM 0 HA ASP A 38 27.851 10.873 -0.048 1.00 61.14 H new ATOM 0 HB2 ASP A 38 30.336 11.121 1.632 1.00 41.12 H new ATOM 0 HB3 ASP A 38 30.000 11.786 0.046 1.00 41.12 H new ATOM 586 N ASP A 39 28.035 8.318 0.278 1.00 12.25 N ATOM 587 CA ASP A 39 28.388 6.909 0.153 1.00 72.14 C ATOM 588 C ASP A 39 27.370 6.169 -0.710 1.00 30.45 C ATOM 589 O ASP A 39 27.725 5.272 -1.476 1.00 52.33 O ATOM 590 CB ASP A 39 28.475 6.258 1.534 1.00 73.53 C ATOM 591 CG ASP A 39 28.399 4.745 1.466 1.00 30.12 C ATOM 592 OD1 ASP A 39 29.250 4.139 0.782 1.00 32.45 O ATOM 593 OD2 ASP A 39 27.488 4.167 2.096 1.00 3.35 O ATOM 0 H ASP A 39 27.105 8.552 -0.070 1.00 12.25 H new ATOM 0 HA ASP A 39 29.363 6.845 -0.331 1.00 72.14 H new ATOM 0 HB2 ASP A 39 29.410 6.551 2.012 1.00 73.53 H new ATOM 0 HB3 ASP A 39 27.665 6.632 2.161 1.00 73.53 H new ATOM 598 N LEU A 40 26.104 6.548 -0.578 1.00 52.21 N ATOM 599 CA LEU A 40 25.033 5.920 -1.344 1.00 62.24 C ATOM 600 C LEU A 40 25.408 5.817 -2.819 1.00 74.54 C ATOM 601 O LEU A 40 25.829 6.797 -3.433 1.00 61.32 O ATOM 602 CB LEU A 40 23.735 6.714 -1.190 1.00 40.13 C ATOM 603 CG LEU A 40 22.830 6.302 -0.029 1.00 11.22 C ATOM 604 CD1 LEU A 40 23.626 6.217 1.264 1.00 2.11 C ATOM 605 CD2 LEU A 40 21.673 7.280 0.119 1.00 61.25 C ATOM 0 H LEU A 40 25.794 7.287 0.052 1.00 52.21 H new ATOM 0 HA LEU A 40 24.883 4.913 -0.955 1.00 62.24 H new ATOM 0 HB2 LEU A 40 23.989 7.767 -1.070 1.00 40.13 H new ATOM 0 HB3 LEU A 40 23.167 6.626 -2.116 1.00 40.13 H new ATOM 0 HG LEU A 40 22.420 5.315 -0.246 1.00 11.22 H new ATOM 0 HD11 LEU A 40 22.965 5.922 2.079 1.00 2.11 H new ATOM 0 HD12 LEU A 40 24.419 5.478 1.155 1.00 2.11 H new ATOM 0 HD13 LEU A 40 24.065 7.190 1.486 1.00 2.11 H new ATOM 0 HD21 LEU A 40 21.039 6.971 0.950 1.00 61.25 H new ATOM 0 HD22 LEU A 40 22.064 8.279 0.312 1.00 61.25 H new ATOM 0 HD23 LEU A 40 21.086 7.291 -0.800 1.00 61.25 H new ATOM 617 N SER A 41 25.249 4.623 -3.383 1.00 13.21 N ATOM 618 CA SER A 41 25.571 4.391 -4.786 1.00 5.21 C ATOM 619 C SER A 41 24.340 3.926 -5.557 1.00 30.21 C ATOM 620 O SER A 41 24.346 3.877 -6.787 1.00 13.31 O ATOM 621 CB SER A 41 26.687 3.352 -4.909 1.00 64.12 C ATOM 622 OG SER A 41 27.634 3.493 -3.864 1.00 53.20 O ATOM 0 H SER A 41 24.899 3.802 -2.889 1.00 13.21 H new ATOM 0 HA SER A 41 25.912 5.333 -5.216 1.00 5.21 H new ATOM 0 HB2 SER A 41 26.259 2.350 -4.883 1.00 64.12 H new ATOM 0 HB3 SER A 41 27.185 3.461 -5.872 1.00 64.12 H new ATOM 0 HG SER A 41 27.297 3.054 -3.055 1.00 53.20 H new ATOM 628 N SER A 42 23.285 3.584 -4.824 1.00 50.21 N ATOM 629 CA SER A 42 22.047 3.119 -5.437 1.00 74.34 C ATOM 630 C SER A 42 20.834 3.607 -4.651 1.00 51.11 C ATOM 631 O SER A 42 20.924 3.875 -3.453 1.00 51.45 O ATOM 632 CB SER A 42 22.035 1.591 -5.518 1.00 22.05 C ATOM 633 OG SER A 42 20.733 1.104 -5.795 1.00 5.54 O ATOM 0 H SER A 42 23.263 3.620 -3.805 1.00 50.21 H new ATOM 0 HA SER A 42 21.994 3.530 -6.445 1.00 74.34 H new ATOM 0 HB2 SER A 42 22.723 1.260 -6.296 1.00 22.05 H new ATOM 0 HB3 SER A 42 22.391 1.171 -4.577 1.00 22.05 H new ATOM 0 HG SER A 42 20.753 0.125 -5.843 1.00 5.54 H new ATOM 639 N ALA A 43 19.700 3.720 -5.335 1.00 33.14 N ATOM 640 CA ALA A 43 18.468 4.174 -4.701 1.00 71.21 C ATOM 641 C ALA A 43 17.254 3.460 -5.286 1.00 62.32 C ATOM 642 O ALA A 43 17.172 3.246 -6.496 1.00 34.32 O ATOM 643 CB ALA A 43 18.320 5.681 -4.853 1.00 63.52 C ATOM 0 H ALA A 43 19.609 3.504 -6.328 1.00 33.14 H new ATOM 0 HA ALA A 43 18.524 3.931 -3.640 1.00 71.21 H new ATOM 0 HB1 ALA A 43 17.396 6.006 -4.375 1.00 63.52 H new ATOM 0 HB2 ALA A 43 19.167 6.179 -4.381 1.00 63.52 H new ATOM 0 HB3 ALA A 43 18.291 5.939 -5.912 1.00 63.52 H new ATOM 649 N ARG A 44 16.315 3.093 -4.420 1.00 61.24 N ATOM 650 CA ARG A 44 15.107 2.401 -4.852 1.00 34.21 C ATOM 651 C ARG A 44 13.877 3.284 -4.662 1.00 41.44 C ATOM 652 O ARG A 44 13.375 3.437 -3.549 1.00 35.31 O ATOM 653 CB ARG A 44 14.935 1.096 -4.073 1.00 32.35 C ATOM 654 CG ARG A 44 13.967 0.121 -4.723 1.00 34.13 C ATOM 655 CD ARG A 44 12.728 -0.089 -3.866 1.00 11.22 C ATOM 656 NE ARG A 44 11.919 -1.210 -4.338 1.00 3.41 N ATOM 657 CZ ARG A 44 10.819 -1.632 -3.725 1.00 10.52 C ATOM 658 NH1 ARG A 44 10.398 -1.029 -2.621 1.00 42.45 N ATOM 659 NH2 ARG A 44 10.137 -2.658 -4.216 1.00 32.43 N ATOM 0 H ARG A 44 16.368 3.263 -3.416 1.00 61.24 H new ATOM 0 HA ARG A 44 15.209 2.173 -5.913 1.00 34.21 H new ATOM 0 HB2 ARG A 44 15.907 0.614 -3.969 1.00 32.35 H new ATOM 0 HB3 ARG A 44 14.584 1.327 -3.067 1.00 32.35 H new ATOM 0 HG2 ARG A 44 13.673 0.497 -5.703 1.00 34.13 H new ATOM 0 HG3 ARG A 44 14.465 -0.835 -4.885 1.00 34.13 H new ATOM 0 HD2 ARG A 44 13.028 -0.268 -2.833 1.00 11.22 H new ATOM 0 HD3 ARG A 44 12.126 0.820 -3.870 1.00 11.22 H new ATOM 0 HE ARG A 44 12.215 -1.695 -5.185 1.00 3.41 H new ATOM 0 HH11 ARG A 44 10.919 -0.239 -2.241 1.00 42.45 H new ATOM 0 HH12 ARG A 44 9.553 -1.355 -2.152 1.00 42.45 H new ATOM 0 HH21 ARG A 44 10.457 -3.124 -5.065 1.00 32.43 H new ATOM 0 HH22 ARG A 44 9.292 -2.981 -3.744 1.00 32.43 H new ATOM 673 N VAL A 45 13.398 3.865 -5.758 1.00 13.43 N ATOM 674 CA VAL A 45 12.227 4.733 -5.713 1.00 0.42 C ATOM 675 C VAL A 45 11.317 4.491 -6.912 1.00 1.32 C ATOM 676 O VAL A 45 11.385 5.188 -7.925 1.00 22.32 O ATOM 677 CB VAL A 45 12.631 6.219 -5.681 1.00 1.35 C ATOM 678 CG1 VAL A 45 13.624 6.527 -6.791 1.00 54.33 C ATOM 679 CG2 VAL A 45 11.401 7.108 -5.792 1.00 23.13 C ATOM 0 H VAL A 45 13.803 3.750 -6.687 1.00 13.43 H new ATOM 0 HA VAL A 45 11.688 4.491 -4.797 1.00 0.42 H new ATOM 0 HB VAL A 45 13.115 6.425 -4.726 1.00 1.35 H new ATOM 0 HG11 VAL A 45 13.898 7.581 -6.752 1.00 54.33 H new ATOM 0 HG12 VAL A 45 14.517 5.915 -6.661 1.00 54.33 H new ATOM 0 HG13 VAL A 45 13.170 6.305 -7.757 1.00 54.33 H new ATOM 0 HG21 VAL A 45 11.705 8.154 -5.768 1.00 23.13 H new ATOM 0 HG22 VAL A 45 10.886 6.901 -6.730 1.00 23.13 H new ATOM 0 HG23 VAL A 45 10.729 6.906 -4.958 1.00 23.13 H new ATOM 689 N PRO A 46 10.443 3.480 -6.797 1.00 1.43 N ATOM 690 CA PRO A 46 9.501 3.123 -7.862 1.00 1.34 C ATOM 691 C PRO A 46 8.412 4.174 -8.048 1.00 75.31 C ATOM 692 O PRO A 46 8.337 5.145 -7.296 1.00 21.15 O ATOM 693 CB PRO A 46 8.895 1.806 -7.372 1.00 63.51 C ATOM 694 CG PRO A 46 9.036 1.851 -5.890 1.00 4.33 C ATOM 695 CD PRO A 46 10.307 2.609 -5.618 1.00 33.42 C ATOM 0 HA PRO A 46 9.992 3.047 -8.832 1.00 1.34 H new ATOM 0 HB2 PRO A 46 7.850 1.717 -7.667 1.00 63.51 H new ATOM 0 HB3 PRO A 46 9.419 0.948 -7.793 1.00 63.51 H new ATOM 0 HG2 PRO A 46 8.180 2.346 -5.431 1.00 4.33 H new ATOM 0 HG3 PRO A 46 9.084 0.846 -5.472 1.00 4.33 H new ATOM 0 HD2 PRO A 46 10.241 3.187 -4.697 1.00 33.42 H new ATOM 0 HD3 PRO A 46 11.160 1.939 -5.513 1.00 33.42 H new ATOM 703 N SER A 47 7.568 3.972 -9.055 1.00 52.11 N ATOM 704 CA SER A 47 6.484 4.904 -9.342 1.00 53.23 C ATOM 705 C SER A 47 5.658 5.180 -8.089 1.00 61.22 C ATOM 706 O SER A 47 5.475 4.302 -7.247 1.00 74.44 O ATOM 707 CB SER A 47 5.584 4.348 -10.448 1.00 31.05 C ATOM 708 OG SER A 47 6.160 4.553 -11.726 1.00 24.42 O ATOM 0 H SER A 47 7.614 3.171 -9.685 1.00 52.11 H new ATOM 0 HA SER A 47 6.925 5.842 -9.679 1.00 53.23 H new ATOM 0 HB2 SER A 47 5.420 3.283 -10.286 1.00 31.05 H new ATOM 0 HB3 SER A 47 4.608 4.831 -10.404 1.00 31.05 H new ATOM 0 HG SER A 47 5.566 4.187 -12.415 1.00 24.42 H new ATOM 714 N GLY A 48 5.162 6.408 -7.973 1.00 72.02 N ATOM 715 CA GLY A 48 4.362 6.779 -6.821 1.00 33.13 C ATOM 716 C GLY A 48 5.204 7.302 -5.674 1.00 41.44 C ATOM 717 O GLY A 48 4.914 7.034 -4.508 1.00 13.33 O ATOM 0 H GLY A 48 5.300 7.152 -8.656 1.00 72.02 H new ATOM 0 HA2 GLY A 48 3.640 7.541 -7.114 1.00 33.13 H new ATOM 0 HA3 GLY A 48 3.792 5.913 -6.484 1.00 33.13 H new ATOM 721 N LEU A 49 6.251 8.050 -6.005 1.00 64.41 N ATOM 722 CA LEU A 49 7.141 8.611 -4.994 1.00 14.00 C ATOM 723 C LEU A 49 8.143 9.572 -5.624 1.00 4.30 C ATOM 724 O LEU A 49 8.758 9.263 -6.645 1.00 31.31 O ATOM 725 CB LEU A 49 7.881 7.492 -4.260 1.00 24.00 C ATOM 726 CG LEU A 49 8.333 7.809 -2.834 1.00 33.33 C ATOM 727 CD1 LEU A 49 8.508 6.528 -2.032 1.00 53.14 C ATOM 728 CD2 LEU A 49 9.625 8.611 -2.849 1.00 45.32 C ATOM 0 H LEU A 49 6.504 8.282 -6.965 1.00 64.41 H new ATOM 0 HA LEU A 49 6.534 9.166 -4.279 1.00 14.00 H new ATOM 0 HB2 LEU A 49 7.234 6.616 -4.228 1.00 24.00 H new ATOM 0 HB3 LEU A 49 8.759 7.219 -4.846 1.00 24.00 H new ATOM 0 HG LEU A 49 7.561 8.411 -2.355 1.00 33.33 H new ATOM 0 HD11 LEU A 49 8.830 6.773 -1.020 1.00 53.14 H new ATOM 0 HD12 LEU A 49 7.560 5.992 -1.991 1.00 53.14 H new ATOM 0 HD13 LEU A 49 9.260 5.900 -2.509 1.00 53.14 H new ATOM 0 HD21 LEU A 49 9.931 8.827 -1.825 1.00 45.32 H new ATOM 0 HD22 LEU A 49 10.405 8.035 -3.347 1.00 45.32 H new ATOM 0 HD23 LEU A 49 9.466 9.547 -3.385 1.00 45.32 H new ATOM 740 N ARG A 50 8.305 10.738 -5.007 1.00 41.54 N ATOM 741 CA ARG A 50 9.234 11.745 -5.507 1.00 62.43 C ATOM 742 C ARG A 50 10.217 12.166 -4.419 1.00 31.24 C ATOM 743 O ARG A 50 9.815 12.559 -3.323 1.00 10.13 O ATOM 744 CB ARG A 50 8.469 12.967 -6.019 1.00 62.52 C ATOM 745 CG ARG A 50 9.370 14.086 -6.513 1.00 45.31 C ATOM 746 CD ARG A 50 9.032 15.410 -5.844 1.00 62.45 C ATOM 747 NE ARG A 50 9.070 16.524 -6.787 1.00 55.51 N ATOM 748 CZ ARG A 50 10.194 17.081 -7.223 1.00 2.01 C ATOM 749 NH1 ARG A 50 11.368 16.628 -6.803 1.00 54.44 N ATOM 750 NH2 ARG A 50 10.146 18.092 -8.081 1.00 4.33 N ATOM 0 H ARG A 50 7.805 11.009 -4.160 1.00 41.54 H new ATOM 0 HA ARG A 50 9.797 11.306 -6.331 1.00 62.43 H new ATOM 0 HB2 ARG A 50 7.809 12.659 -6.830 1.00 62.52 H new ATOM 0 HB3 ARG A 50 7.834 13.349 -5.219 1.00 62.52 H new ATOM 0 HG2 ARG A 50 10.411 13.831 -6.313 1.00 45.31 H new ATOM 0 HG3 ARG A 50 9.268 14.187 -7.594 1.00 45.31 H new ATOM 0 HD2 ARG A 50 8.040 15.347 -5.396 1.00 62.45 H new ATOM 0 HD3 ARG A 50 9.736 15.597 -5.033 1.00 62.45 H new ATOM 0 HE ARG A 50 8.184 16.895 -7.130 1.00 55.51 H new ATOM 0 HH11 ARG A 50 11.409 15.851 -6.144 1.00 54.44 H new ATOM 0 HH12 ARG A 50 12.230 17.057 -7.139 1.00 54.44 H new ATOM 0 HH21 ARG A 50 9.245 18.442 -8.406 1.00 4.33 H new ATOM 0 HH22 ARG A 50 11.010 18.519 -8.415 1.00 4.33 H new ATOM 764 N LEU A 51 11.506 12.080 -4.727 1.00 41.34 N ATOM 765 CA LEU A 51 12.547 12.452 -3.776 1.00 22.05 C ATOM 766 C LEU A 51 13.442 13.547 -4.347 1.00 14.51 C ATOM 767 O LEU A 51 13.576 13.680 -5.563 1.00 2.12 O ATOM 768 CB LEU A 51 13.390 11.229 -3.408 1.00 41.43 C ATOM 769 CG LEU A 51 13.901 10.390 -4.580 1.00 1.01 C ATOM 770 CD1 LEU A 51 15.238 10.920 -5.073 1.00 42.44 C ATOM 771 CD2 LEU A 51 14.021 8.928 -4.176 1.00 25.11 C ATOM 0 H LEU A 51 11.856 11.756 -5.629 1.00 41.34 H new ATOM 0 HA LEU A 51 12.063 12.836 -2.878 1.00 22.05 H new ATOM 0 HB2 LEU A 51 14.248 11.566 -2.826 1.00 41.43 H new ATOM 0 HB3 LEU A 51 12.797 10.586 -2.758 1.00 41.43 H new ATOM 0 HG LEU A 51 13.182 10.463 -5.396 1.00 1.01 H new ATOM 0 HD11 LEU A 51 15.586 10.310 -5.907 1.00 42.44 H new ATOM 0 HD12 LEU A 51 15.121 11.953 -5.402 1.00 42.44 H new ATOM 0 HD13 LEU A 51 15.967 10.877 -4.264 1.00 42.44 H new ATOM 0 HD21 LEU A 51 14.386 8.346 -5.022 1.00 25.11 H new ATOM 0 HD22 LEU A 51 14.719 8.837 -3.344 1.00 25.11 H new ATOM 0 HD23 LEU A 51 13.044 8.553 -3.872 1.00 25.11 H new ATOM 783 N GLU A 52 14.052 14.328 -3.461 1.00 10.31 N ATOM 784 CA GLU A 52 14.935 15.411 -3.878 1.00 52.22 C ATOM 785 C GLU A 52 16.318 15.258 -3.252 1.00 33.05 C ATOM 786 O GLU A 52 16.468 15.310 -2.031 1.00 34.23 O ATOM 787 CB GLU A 52 14.335 16.765 -3.493 1.00 2.14 C ATOM 788 CG GLU A 52 13.006 17.057 -4.168 1.00 70.24 C ATOM 789 CD GLU A 52 12.119 17.968 -3.342 1.00 41.23 C ATOM 790 OE1 GLU A 52 12.324 19.199 -3.393 1.00 54.22 O ATOM 791 OE2 GLU A 52 11.221 17.451 -2.645 1.00 45.03 O ATOM 0 H GLU A 52 13.951 14.231 -2.451 1.00 10.31 H new ATOM 0 HA GLU A 52 15.039 15.363 -4.962 1.00 52.22 H new ATOM 0 HB2 GLU A 52 14.199 16.798 -2.412 1.00 2.14 H new ATOM 0 HB3 GLU A 52 15.044 17.553 -3.749 1.00 2.14 H new ATOM 0 HG2 GLU A 52 13.189 17.518 -5.139 1.00 70.24 H new ATOM 0 HG3 GLU A 52 12.483 16.119 -4.354 1.00 70.24 H new ATOM 798 N VAL A 53 17.326 15.068 -4.097 1.00 2.35 N ATOM 799 CA VAL A 53 18.697 14.908 -3.627 1.00 21.21 C ATOM 800 C VAL A 53 19.400 16.256 -3.511 1.00 34.11 C ATOM 801 O VAL A 53 19.351 17.075 -4.429 1.00 72.41 O ATOM 802 CB VAL A 53 19.509 13.997 -4.567 1.00 4.31 C ATOM 803 CG1 VAL A 53 20.874 13.692 -3.968 1.00 12.43 C ATOM 804 CG2 VAL A 53 18.746 12.714 -4.856 1.00 32.44 C ATOM 0 H VAL A 53 17.219 15.021 -5.110 1.00 2.35 H new ATOM 0 HA VAL A 53 18.642 14.445 -2.642 1.00 21.21 H new ATOM 0 HB VAL A 53 19.662 14.522 -5.510 1.00 4.31 H new ATOM 0 HG11 VAL A 53 21.433 13.047 -4.646 1.00 12.43 H new ATOM 0 HG12 VAL A 53 21.422 14.622 -3.818 1.00 12.43 H new ATOM 0 HG13 VAL A 53 20.747 13.187 -3.010 1.00 12.43 H new ATOM 0 HG21 VAL A 53 19.335 12.083 -5.522 1.00 32.44 H new ATOM 0 HG22 VAL A 53 18.560 12.183 -3.922 1.00 32.44 H new ATOM 0 HG23 VAL A 53 17.795 12.955 -5.332 1.00 32.44 H new ATOM 814 N PHE A 54 20.054 16.480 -2.376 1.00 54.30 N ATOM 815 CA PHE A 54 20.767 17.730 -2.139 1.00 14.11 C ATOM 816 C PHE A 54 22.222 17.463 -1.765 1.00 13.43 C ATOM 817 O PHE A 54 22.533 17.174 -0.610 1.00 34.32 O ATOM 818 CB PHE A 54 20.081 18.530 -1.029 1.00 43.33 C ATOM 819 CG PHE A 54 18.586 18.582 -1.163 1.00 43.24 C ATOM 820 CD1 PHE A 54 17.996 19.209 -2.249 1.00 2.42 C ATOM 821 CD2 PHE A 54 17.771 18.004 -0.204 1.00 11.12 C ATOM 822 CE1 PHE A 54 16.621 19.259 -2.376 1.00 34.45 C ATOM 823 CE2 PHE A 54 16.395 18.050 -0.325 1.00 70.23 C ATOM 824 CZ PHE A 54 15.819 18.679 -1.412 1.00 21.12 C ATOM 0 H PHE A 54 20.105 15.813 -1.606 1.00 54.30 H new ATOM 0 HA PHE A 54 20.748 18.311 -3.061 1.00 14.11 H new ATOM 0 HB2 PHE A 54 20.336 18.090 -0.065 1.00 43.33 H new ATOM 0 HB3 PHE A 54 20.473 19.547 -1.030 1.00 43.33 H new ATOM 0 HD1 PHE A 54 18.618 19.664 -3.005 1.00 2.42 H new ATOM 0 HD2 PHE A 54 18.216 17.512 0.648 1.00 11.12 H new ATOM 0 HE1 PHE A 54 16.174 19.751 -3.227 1.00 34.45 H new ATOM 0 HE2 PHE A 54 15.771 17.595 0.429 1.00 70.23 H new ATOM 0 HZ PHE A 54 14.744 18.717 -1.508 1.00 21.12 H new ATOM 834 N GLN A 55 23.108 17.563 -2.750 1.00 53.34 N ATOM 835 CA GLN A 55 24.530 17.332 -2.525 1.00 74.32 C ATOM 836 C GLN A 55 25.040 18.173 -1.360 1.00 44.45 C ATOM 837 O GLN A 55 25.735 17.672 -0.476 1.00 34.53 O ATOM 838 CB GLN A 55 25.327 17.653 -3.790 1.00 71.04 C ATOM 839 CG GLN A 55 25.026 19.027 -4.367 1.00 11.13 C ATOM 840 CD GLN A 55 25.655 19.239 -5.730 1.00 1.05 C ATOM 841 OE1 GLN A 55 25.223 18.654 -6.723 1.00 50.23 O ATOM 842 NE2 GLN A 55 26.682 20.079 -5.784 1.00 11.24 N ATOM 0 H GLN A 55 22.867 17.802 -3.712 1.00 53.34 H new ATOM 0 HA GLN A 55 24.667 16.280 -2.276 1.00 74.32 H new ATOM 0 HB2 GLN A 55 26.392 17.588 -3.565 1.00 71.04 H new ATOM 0 HB3 GLN A 55 25.114 16.896 -4.545 1.00 71.04 H new ATOM 0 HG2 GLN A 55 23.946 19.155 -4.446 1.00 11.13 H new ATOM 0 HG3 GLN A 55 25.389 19.792 -3.681 1.00 11.13 H new ATOM 0 HE21 GLN A 55 27.007 20.542 -4.935 1.00 11.24 H new ATOM 0 HE22 GLN A 55 27.146 20.261 -6.674 1.00 11.24 H new ATOM 851 N HIS A 56 24.693 19.456 -1.367 1.00 11.52 N ATOM 852 CA HIS A 56 25.116 20.368 -0.310 1.00 44.41 C ATOM 853 C HIS A 56 24.053 20.469 0.779 1.00 22.45 C ATOM 854 O HIS A 56 22.861 20.327 0.511 1.00 30.14 O ATOM 855 CB HIS A 56 25.403 21.755 -0.888 1.00 60.53 C ATOM 856 CG HIS A 56 26.786 22.250 -0.598 1.00 1.42 C ATOM 857 ND1 HIS A 56 27.590 22.838 -1.551 1.00 5.50 N ATOM 858 CD2 HIS A 56 27.506 22.245 0.548 1.00 21.24 C ATOM 859 CE1 HIS A 56 28.746 23.172 -1.004 1.00 70.51 C ATOM 860 NE2 HIS A 56 28.720 22.822 0.269 1.00 2.45 N ATOM 0 H HIS A 56 24.120 19.888 -2.092 1.00 11.52 H new ATOM 0 HA HIS A 56 26.029 19.971 0.134 1.00 44.41 H new ATOM 0 HB2 HIS A 56 25.255 21.728 -1.968 1.00 60.53 H new ATOM 0 HB3 HIS A 56 24.680 22.464 -0.485 1.00 60.53 H new ATOM 0 HD2 HIS A 56 27.185 21.859 1.504 1.00 21.24 H new ATOM 0 HE1 HIS A 56 29.571 23.650 -1.512 1.00 70.51 H new ATOM 0 HE2 HIS A 56 29.479 22.958 0.937 1.00 2.45 H new ATOM 868 N ASN A 57 24.494 20.713 2.009 1.00 22.02 N ATOM 869 CA ASN A 57 23.580 20.831 3.140 1.00 62.44 C ATOM 870 C ASN A 57 23.068 22.261 3.279 1.00 44.13 C ATOM 871 O ASN A 57 23.588 23.181 2.649 1.00 5.10 O ATOM 872 CB ASN A 57 24.276 20.398 4.432 1.00 50.11 C ATOM 873 CG ASN A 57 23.332 19.697 5.390 1.00 63.22 C ATOM 874 OD1 ASN A 57 22.118 19.689 5.188 1.00 71.11 O ATOM 875 ND2 ASN A 57 23.888 19.104 6.440 1.00 64.33 N ATOM 0 H ASN A 57 25.478 20.833 2.248 1.00 22.02 H new ATOM 0 HA ASN A 57 22.728 20.176 2.957 1.00 62.44 H new ATOM 0 HB2 ASN A 57 25.104 19.732 4.190 1.00 50.11 H new ATOM 0 HB3 ASN A 57 24.703 21.273 4.922 1.00 50.11 H new ATOM 0 HD21 ASN A 57 23.304 18.616 7.119 1.00 64.33 H new ATOM 0 HD22 ASN A 57 24.899 19.136 6.567 1.00 64.33 H new ATOM 882 N ASN A 58 22.046 22.440 4.109 1.00 73.24 N ATOM 883 CA ASN A 58 21.463 23.758 4.331 1.00 41.21 C ATOM 884 C ASN A 58 20.890 24.325 3.036 1.00 72.14 C ATOM 885 O ASN A 58 20.665 25.530 2.918 1.00 31.34 O ATOM 886 CB ASN A 58 22.514 24.714 4.898 1.00 44.32 C ATOM 887 CG ASN A 58 21.987 25.529 6.063 1.00 32.32 C ATOM 888 OD1 ASN A 58 21.099 26.365 5.899 1.00 54.23 O ATOM 889 ND2 ASN A 58 22.533 25.287 7.249 1.00 22.11 N ATOM 0 H ASN A 58 21.604 21.689 4.639 1.00 73.24 H new ATOM 0 HA ASN A 58 20.651 23.652 5.051 1.00 41.21 H new ATOM 0 HB2 ASN A 58 23.384 24.142 5.222 1.00 44.32 H new ATOM 0 HB3 ASN A 58 22.851 25.388 4.110 1.00 44.32 H new ATOM 0 HD21 ASN A 58 22.218 25.804 8.070 1.00 22.11 H new ATOM 0 HD22 ASN A 58 23.267 24.584 7.339 1.00 22.11 H new ATOM 896 N PHE A 59 20.655 23.448 2.065 1.00 30.22 N ATOM 897 CA PHE A 59 20.108 23.860 0.778 1.00 42.22 C ATOM 898 C PHE A 59 20.921 25.007 0.184 1.00 61.34 C ATOM 899 O PHE A 59 20.380 26.064 -0.140 1.00 44.31 O ATOM 900 CB PHE A 59 18.646 24.284 0.933 1.00 60.41 C ATOM 901 CG PHE A 59 17.680 23.135 0.878 1.00 61.34 C ATOM 902 CD1 PHE A 59 17.658 22.182 1.883 1.00 22.14 C ATOM 903 CD2 PHE A 59 16.794 23.008 -0.180 1.00 32.33 C ATOM 904 CE1 PHE A 59 16.771 21.123 1.834 1.00 10.45 C ATOM 905 CE2 PHE A 59 15.904 21.951 -0.234 1.00 11.52 C ATOM 906 CZ PHE A 59 15.892 21.009 0.775 1.00 31.33 C ATOM 0 H PHE A 59 20.835 22.447 2.146 1.00 30.22 H new ATOM 0 HA PHE A 59 20.162 23.009 0.099 1.00 42.22 H new ATOM 0 HB2 PHE A 59 18.526 24.804 1.883 1.00 60.41 H new ATOM 0 HB3 PHE A 59 18.397 24.996 0.146 1.00 60.41 H new ATOM 0 HD1 PHE A 59 18.342 22.267 2.715 1.00 22.14 H new ATOM 0 HD2 PHE A 59 16.799 23.743 -0.971 1.00 32.33 H new ATOM 0 HE1 PHE A 59 16.765 20.386 2.623 1.00 10.45 H new ATOM 0 HE2 PHE A 59 15.219 21.863 -1.064 1.00 11.52 H new ATOM 0 HZ PHE A 59 15.196 20.184 0.736 1.00 31.33 H new ATOM 916 N LYS A 60 22.224 24.789 0.044 1.00 44.34 N ATOM 917 CA LYS A 60 23.114 25.802 -0.512 1.00 2.12 C ATOM 918 C LYS A 60 23.786 25.297 -1.785 1.00 10.12 C ATOM 919 O LYS A 60 24.646 24.419 -1.738 1.00 21.22 O ATOM 920 CB LYS A 60 24.177 26.196 0.516 1.00 11.15 C ATOM 921 CG LYS A 60 25.275 27.079 -0.051 1.00 70.33 C ATOM 922 CD LYS A 60 26.486 26.262 -0.470 1.00 2.14 C ATOM 923 CE LYS A 60 27.763 26.796 0.162 1.00 61.43 C ATOM 924 NZ LYS A 60 28.207 25.956 1.309 1.00 42.41 N ATOM 0 H LYS A 60 22.688 23.920 0.308 1.00 44.34 H new ATOM 0 HA LYS A 60 22.515 26.678 -0.761 1.00 2.12 H new ATOM 0 HB2 LYS A 60 23.695 26.717 1.343 1.00 11.15 H new ATOM 0 HB3 LYS A 60 24.626 25.292 0.927 1.00 11.15 H new ATOM 0 HG2 LYS A 60 24.892 27.631 -0.910 1.00 70.33 H new ATOM 0 HG3 LYS A 60 25.572 27.816 0.695 1.00 70.33 H new ATOM 0 HD2 LYS A 60 26.342 25.221 -0.180 1.00 2.14 H new ATOM 0 HD3 LYS A 60 26.581 26.280 -1.556 1.00 2.14 H new ATOM 0 HE2 LYS A 60 28.552 26.832 -0.589 1.00 61.43 H new ATOM 0 HE3 LYS A 60 27.600 27.819 0.502 1.00 61.43 H new ATOM 0 HZ1 LYS A 60 29.089 26.343 1.702 1.00 42.41 H new ATOM 0 HZ2 LYS A 60 27.471 25.956 2.044 1.00 42.41 H new ATOM 0 HZ3 LYS A 60 28.371 24.982 0.983 1.00 42.41 H new ATOM 938 N GLY A 61 23.388 25.860 -2.922 1.00 21.20 N ATOM 939 CA GLY A 61 23.963 25.454 -4.191 1.00 43.42 C ATOM 940 C GLY A 61 22.958 24.760 -5.088 1.00 32.42 C ATOM 941 O GLY A 61 21.754 24.996 -4.983 1.00 62.21 O ATOM 0 H GLY A 61 22.678 26.590 -2.987 1.00 21.20 H new ATOM 0 HA2 GLY A 61 24.358 26.331 -4.704 1.00 43.42 H new ATOM 0 HA3 GLY A 61 24.804 24.785 -4.008 1.00 43.42 H new ATOM 945 N VAL A 62 23.452 23.901 -5.974 1.00 32.40 N ATOM 946 CA VAL A 62 22.588 23.170 -6.893 1.00 62.55 C ATOM 947 C VAL A 62 21.905 22.000 -6.194 1.00 24.24 C ATOM 948 O VAL A 62 22.491 21.357 -5.322 1.00 1.20 O ATOM 949 CB VAL A 62 23.379 22.639 -8.104 1.00 30.41 C ATOM 950 CG1 VAL A 62 24.547 21.780 -7.644 1.00 31.52 C ATOM 951 CG2 VAL A 62 22.465 21.856 -9.035 1.00 42.10 C ATOM 0 H VAL A 62 24.446 23.694 -6.075 1.00 32.40 H new ATOM 0 HA VAL A 62 21.831 23.873 -7.242 1.00 62.55 H new ATOM 0 HB VAL A 62 23.780 23.489 -8.656 1.00 30.41 H new ATOM 0 HG11 VAL A 62 25.094 21.414 -8.513 1.00 31.52 H new ATOM 0 HG12 VAL A 62 25.213 22.376 -7.020 1.00 31.52 H new ATOM 0 HG13 VAL A 62 24.172 20.934 -7.069 1.00 31.52 H new ATOM 0 HG21 VAL A 62 23.040 21.488 -9.885 1.00 42.10 H new ATOM 0 HG22 VAL A 62 22.034 21.012 -8.496 1.00 42.10 H new ATOM 0 HG23 VAL A 62 21.666 22.506 -9.392 1.00 42.10 H new ATOM 961 N ARG A 63 20.664 21.729 -6.582 1.00 34.45 N ATOM 962 CA ARG A 63 19.900 20.636 -5.991 1.00 0.13 C ATOM 963 C ARG A 63 19.350 19.711 -7.072 1.00 33.41 C ATOM 964 O ARG A 63 18.852 20.168 -8.101 1.00 10.44 O ATOM 965 CB ARG A 63 18.752 21.188 -5.144 1.00 32.34 C ATOM 966 CG ARG A 63 17.875 22.186 -5.882 1.00 5.31 C ATOM 967 CD ARG A 63 16.791 22.751 -4.978 1.00 33.41 C ATOM 968 NE ARG A 63 15.492 22.798 -5.645 1.00 44.50 N ATOM 969 CZ ARG A 63 14.338 22.918 -4.999 1.00 0.12 C ATOM 970 NH1 ARG A 63 14.321 23.002 -3.676 1.00 32.03 N ATOM 971 NH2 ARG A 63 13.198 22.955 -5.676 1.00 73.53 N ATOM 0 H ARG A 63 20.165 22.251 -7.303 1.00 34.45 H new ATOM 0 HA ARG A 63 20.570 20.061 -5.352 1.00 0.13 H new ATOM 0 HB2 ARG A 63 18.134 20.359 -4.801 1.00 32.34 H new ATOM 0 HB3 ARG A 63 19.165 21.667 -4.256 1.00 32.34 H new ATOM 0 HG2 ARG A 63 18.491 22.999 -6.265 1.00 5.31 H new ATOM 0 HG3 ARG A 63 17.416 21.701 -6.743 1.00 5.31 H new ATOM 0 HD2 ARG A 63 16.715 22.141 -4.078 1.00 33.41 H new ATOM 0 HD3 ARG A 63 17.071 23.755 -4.659 1.00 33.41 H new ATOM 0 HE ARG A 63 15.470 22.735 -6.663 1.00 44.50 H new ATOM 0 HH11 ARG A 63 15.196 22.975 -3.152 1.00 32.03 H new ATOM 0 HH12 ARG A 63 13.433 23.094 -3.182 1.00 32.03 H new ATOM 0 HH21 ARG A 63 13.207 22.891 -6.694 1.00 73.53 H new ATOM 0 HH22 ARG A 63 12.312 23.047 -5.179 1.00 73.53 H new ATOM 985 N ASP A 64 19.443 18.407 -6.832 1.00 4.55 N ATOM 986 CA ASP A 64 18.955 17.417 -7.784 1.00 14.20 C ATOM 987 C ASP A 64 17.645 16.801 -7.303 1.00 33.21 C ATOM 988 O ASP A 64 17.278 16.930 -6.135 1.00 20.43 O ATOM 989 CB ASP A 64 20.001 16.322 -7.995 1.00 72.33 C ATOM 990 CG ASP A 64 20.364 16.142 -9.456 1.00 74.23 C ATOM 991 OD1 ASP A 64 19.576 15.507 -10.189 1.00 3.42 O ATOM 992 OD2 ASP A 64 21.435 16.635 -9.867 1.00 23.41 O ATOM 0 H ASP A 64 19.852 18.012 -5.986 1.00 4.55 H new ATOM 0 HA ASP A 64 18.772 17.921 -8.733 1.00 14.20 H new ATOM 0 HB2 ASP A 64 20.899 16.567 -7.428 1.00 72.33 H new ATOM 0 HB3 ASP A 64 19.622 15.380 -7.599 1.00 72.33 H new ATOM 997 N PHE A 65 16.943 16.132 -8.212 1.00 33.35 N ATOM 998 CA PHE A 65 15.672 15.497 -7.881 1.00 2.04 C ATOM 999 C PHE A 65 15.480 14.214 -8.684 1.00 12.01 C ATOM 1000 O PHE A 65 15.725 14.181 -9.890 1.00 52.11 O ATOM 1001 CB PHE A 65 14.512 16.459 -8.148 1.00 65.54 C ATOM 1002 CG PHE A 65 14.507 17.018 -9.542 1.00 70.45 C ATOM 1003 CD1 PHE A 65 13.844 16.358 -10.565 1.00 14.22 C ATOM 1004 CD2 PHE A 65 15.165 18.203 -9.831 1.00 35.45 C ATOM 1005 CE1 PHE A 65 13.838 16.870 -11.849 1.00 12.15 C ATOM 1006 CE2 PHE A 65 15.162 18.720 -11.112 1.00 73.44 C ATOM 1007 CZ PHE A 65 14.497 18.053 -12.122 1.00 75.15 C ATOM 0 H PHE A 65 17.232 16.016 -9.183 1.00 33.35 H new ATOM 0 HA PHE A 65 15.686 15.242 -6.821 1.00 2.04 H new ATOM 0 HB2 PHE A 65 13.571 15.939 -7.970 1.00 65.54 H new ATOM 0 HB3 PHE A 65 14.561 17.282 -7.435 1.00 65.54 H new ATOM 0 HD1 PHE A 65 13.326 15.433 -10.356 1.00 14.22 H new ATOM 0 HD2 PHE A 65 15.687 18.729 -9.045 1.00 35.45 H new ATOM 0 HE1 PHE A 65 13.319 16.346 -12.638 1.00 12.15 H new ATOM 0 HE2 PHE A 65 15.679 19.644 -11.323 1.00 73.44 H new ATOM 0 HZ PHE A 65 14.492 18.456 -13.124 1.00 75.15 H new ATOM 1017 N TYR A 66 15.040 13.160 -8.006 1.00 61.53 N ATOM 1018 CA TYR A 66 14.817 11.873 -8.655 1.00 24.20 C ATOM 1019 C TYR A 66 13.424 11.338 -8.340 1.00 72.10 C ATOM 1020 O TYR A 66 12.835 11.672 -7.311 1.00 75.24 O ATOM 1021 CB TYR A 66 15.876 10.863 -8.209 1.00 2.01 C ATOM 1022 CG TYR A 66 16.888 10.533 -9.283 1.00 22.43 C ATOM 1023 CD1 TYR A 66 16.482 10.104 -10.540 1.00 53.02 C ATOM 1024 CD2 TYR A 66 18.251 10.650 -9.040 1.00 3.13 C ATOM 1025 CE1 TYR A 66 17.403 9.800 -11.524 1.00 11.43 C ATOM 1026 CE2 TYR A 66 19.180 10.350 -10.018 1.00 13.12 C ATOM 1027 CZ TYR A 66 18.751 9.925 -11.258 1.00 14.21 C ATOM 1028 OH TYR A 66 19.671 9.625 -12.235 1.00 44.04 O ATOM 0 H TYR A 66 14.831 13.171 -7.008 1.00 61.53 H new ATOM 0 HA TYR A 66 14.895 12.020 -9.732 1.00 24.20 H new ATOM 0 HB2 TYR A 66 16.399 11.258 -7.338 1.00 2.01 H new ATOM 0 HB3 TYR A 66 15.380 9.945 -7.894 1.00 2.01 H new ATOM 0 HD1 TYR A 66 15.428 10.006 -10.752 1.00 53.02 H new ATOM 0 HD2 TYR A 66 18.590 10.981 -8.070 1.00 3.13 H new ATOM 0 HE1 TYR A 66 17.070 9.466 -12.496 1.00 11.43 H new ATOM 0 HE2 TYR A 66 20.236 10.448 -9.813 1.00 13.12 H new ATOM 0 HH TYR A 66 20.576 9.767 -11.887 1.00 44.04 H new ATOM 1038 N THR A 67 12.901 10.504 -9.234 1.00 22.34 N ATOM 1039 CA THR A 67 11.577 9.922 -9.053 1.00 63.33 C ATOM 1040 C THR A 67 11.486 8.549 -9.710 1.00 21.15 C ATOM 1041 O THR A 67 10.422 8.142 -10.175 1.00 54.53 O ATOM 1042 CB THR A 67 10.480 10.831 -9.637 1.00 14.10 C ATOM 1043 OG1 THR A 67 10.644 10.949 -11.055 1.00 35.24 O ATOM 1044 CG2 THR A 67 10.525 12.212 -9.000 1.00 21.33 C ATOM 0 H THR A 67 13.374 10.217 -10.091 1.00 22.34 H new ATOM 0 HA THR A 67 11.420 9.819 -7.979 1.00 63.33 H new ATOM 0 HB THR A 67 9.512 10.379 -9.420 1.00 14.10 H new ATOM 0 HG1 THR A 67 9.941 11.527 -11.419 1.00 35.24 H new ATOM 0 HG21 THR A 67 9.741 12.836 -9.429 1.00 21.33 H new ATOM 0 HG22 THR A 67 10.370 12.122 -7.925 1.00 21.33 H new ATOM 0 HG23 THR A 67 11.496 12.669 -9.190 1.00 21.33 H new ATOM 1052 N SER A 68 12.609 7.838 -9.742 1.00 52.05 N ATOM 1053 CA SER A 68 12.656 6.511 -10.345 1.00 32.11 C ATOM 1054 C SER A 68 13.877 5.736 -9.858 1.00 53.30 C ATOM 1055 O SER A 68 14.854 6.324 -9.394 1.00 70.10 O ATOM 1056 CB SER A 68 12.683 6.621 -11.871 1.00 33.04 C ATOM 1057 OG SER A 68 14.009 6.547 -12.364 1.00 1.10 O ATOM 0 H SER A 68 13.498 8.159 -9.358 1.00 52.05 H new ATOM 0 HA SER A 68 11.759 5.970 -10.043 1.00 32.11 H new ATOM 0 HB2 SER A 68 12.084 5.821 -12.307 1.00 33.04 H new ATOM 0 HB3 SER A 68 12.229 7.563 -12.179 1.00 33.04 H new ATOM 0 HG SER A 68 13.999 6.618 -13.341 1.00 1.10 H new ATOM 1063 N ASP A 69 13.812 4.414 -9.967 1.00 65.13 N ATOM 1064 CA ASP A 69 14.912 3.557 -9.540 1.00 2.14 C ATOM 1065 C ASP A 69 16.237 4.043 -10.120 1.00 31.23 C ATOM 1066 O ASP A 69 16.517 3.847 -11.302 1.00 52.40 O ATOM 1067 CB ASP A 69 14.655 2.111 -9.965 1.00 31.54 C ATOM 1068 CG ASP A 69 13.313 1.595 -9.482 1.00 4.21 C ATOM 1069 OD1 ASP A 69 13.154 1.411 -8.257 1.00 10.22 O ATOM 1070 OD2 ASP A 69 12.423 1.377 -10.329 1.00 75.40 O ATOM 0 H ASP A 69 13.009 3.912 -10.347 1.00 65.13 H new ATOM 0 HA ASP A 69 14.974 3.602 -8.453 1.00 2.14 H new ATOM 0 HB2 ASP A 69 14.698 2.042 -11.052 1.00 31.54 H new ATOM 0 HB3 ASP A 69 15.448 1.474 -9.574 1.00 31.54 H new ATOM 1075 N ALA A 70 17.048 4.678 -9.280 1.00 33.55 N ATOM 1076 CA ALA A 70 18.343 5.190 -9.709 1.00 11.45 C ATOM 1077 C ALA A 70 19.476 4.286 -9.234 1.00 53.44 C ATOM 1078 O ALA A 70 19.911 4.371 -8.087 1.00 1.25 O ATOM 1079 CB ALA A 70 18.546 6.608 -9.194 1.00 72.14 C ATOM 0 H ALA A 70 16.831 4.850 -8.298 1.00 33.55 H new ATOM 0 HA ALA A 70 18.358 5.204 -10.799 1.00 11.45 H new ATOM 0 HB1 ALA A 70 19.517 6.979 -9.522 1.00 72.14 H new ATOM 0 HB2 ALA A 70 17.760 7.254 -9.586 1.00 72.14 H new ATOM 0 HB3 ALA A 70 18.506 6.609 -8.105 1.00 72.14 H new ATOM 1085 N ALA A 71 19.948 3.421 -10.125 1.00 63.24 N ATOM 1086 CA ALA A 71 21.031 2.502 -9.798 1.00 4.12 C ATOM 1087 C ALA A 71 22.301 3.260 -9.425 1.00 14.45 C ATOM 1088 O ALA A 71 23.208 2.704 -8.807 1.00 72.53 O ATOM 1089 CB ALA A 71 21.299 1.564 -10.965 1.00 71.14 C ATOM 0 H ALA A 71 19.597 3.337 -11.079 1.00 63.24 H new ATOM 0 HA ALA A 71 20.724 1.912 -8.935 1.00 4.12 H new ATOM 0 HB1 ALA A 71 22.110 0.884 -10.706 1.00 71.14 H new ATOM 0 HB2 ALA A 71 20.399 0.989 -11.184 1.00 71.14 H new ATOM 0 HB3 ALA A 71 21.580 2.146 -11.843 1.00 71.14 H new ATOM 1095 N GLU A 72 22.357 4.533 -9.804 1.00 2.32 N ATOM 1096 CA GLU A 72 23.517 5.367 -9.509 1.00 60.43 C ATOM 1097 C GLU A 72 23.102 6.634 -8.768 1.00 41.43 C ATOM 1098 O GLU A 72 22.343 7.452 -9.291 1.00 3.34 O ATOM 1099 CB GLU A 72 24.250 5.734 -10.801 1.00 52.42 C ATOM 1100 CG GLU A 72 25.760 5.793 -10.649 1.00 4.24 C ATOM 1101 CD GLU A 72 26.340 7.123 -11.089 1.00 51.33 C ATOM 1102 OE1 GLU A 72 25.982 8.155 -10.484 1.00 53.52 O ATOM 1103 OE2 GLU A 72 27.151 7.132 -12.039 1.00 11.43 O ATOM 0 H GLU A 72 21.614 5.009 -10.315 1.00 2.32 H new ATOM 0 HA GLU A 72 24.189 4.797 -8.868 1.00 60.43 H new ATOM 0 HB2 GLU A 72 23.999 5.004 -11.571 1.00 52.42 H new ATOM 0 HB3 GLU A 72 23.890 6.702 -11.150 1.00 52.42 H new ATOM 0 HG2 GLU A 72 26.024 5.613 -9.607 1.00 4.24 H new ATOM 0 HG3 GLU A 72 26.212 4.992 -11.235 1.00 4.24 H new ATOM 1110 N LEU A 73 23.604 6.791 -7.548 1.00 62.45 N ATOM 1111 CA LEU A 73 23.286 7.958 -6.734 1.00 2.31 C ATOM 1112 C LEU A 73 23.527 9.248 -7.513 1.00 32.52 C ATOM 1113 O LEU A 73 24.490 9.356 -8.271 1.00 63.32 O ATOM 1114 CB LEU A 73 24.126 7.957 -5.456 1.00 3.14 C ATOM 1115 CG LEU A 73 23.724 8.974 -4.387 1.00 43.42 C ATOM 1116 CD1 LEU A 73 24.225 10.362 -4.756 1.00 51.22 C ATOM 1117 CD2 LEU A 73 22.214 8.983 -4.200 1.00 21.51 C ATOM 0 H LEU A 73 24.233 6.124 -7.101 1.00 62.45 H new ATOM 0 HA LEU A 73 22.230 7.908 -6.468 1.00 2.31 H new ATOM 0 HB2 LEU A 73 24.081 6.961 -5.016 1.00 3.14 H new ATOM 0 HB3 LEU A 73 25.166 8.138 -5.728 1.00 3.14 H new ATOM 0 HG LEU A 73 24.185 8.682 -3.444 1.00 43.42 H new ATOM 0 HD11 LEU A 73 23.930 11.073 -3.984 1.00 51.22 H new ATOM 0 HD12 LEU A 73 25.312 10.347 -4.838 1.00 51.22 H new ATOM 0 HD13 LEU A 73 23.793 10.663 -5.710 1.00 51.22 H new ATOM 0 HD21 LEU A 73 21.946 9.713 -3.436 1.00 21.51 H new ATOM 0 HD22 LEU A 73 21.732 9.250 -5.141 1.00 21.51 H new ATOM 0 HD23 LEU A 73 21.880 7.993 -3.889 1.00 21.51 H new ATOM 1129 N SER A 74 22.646 10.223 -7.319 1.00 14.55 N ATOM 1130 CA SER A 74 22.761 11.505 -8.004 1.00 1.40 C ATOM 1131 C SER A 74 24.176 12.063 -7.879 1.00 31.31 C ATOM 1132 O SER A 74 24.614 12.434 -6.790 1.00 43.21 O ATOM 1133 CB SER A 74 21.754 12.506 -7.433 1.00 24.32 C ATOM 1134 OG SER A 74 21.576 13.606 -8.308 1.00 73.41 O ATOM 0 H SER A 74 21.844 10.150 -6.693 1.00 14.55 H new ATOM 0 HA SER A 74 22.544 11.345 -9.060 1.00 1.40 H new ATOM 0 HB2 SER A 74 20.797 12.010 -7.268 1.00 24.32 H new ATOM 0 HB3 SER A 74 22.100 12.862 -6.463 1.00 24.32 H new ATOM 0 HG SER A 74 21.971 14.409 -7.909 1.00 73.41 H new ATOM 1140 N ARG A 75 24.885 12.117 -9.002 1.00 11.54 N ATOM 1141 CA ARG A 75 26.250 12.628 -9.019 1.00 24.13 C ATOM 1142 C ARG A 75 27.158 11.782 -8.131 1.00 64.52 C ATOM 1143 O ARG A 75 26.716 10.806 -7.524 1.00 53.31 O ATOM 1144 CB ARG A 75 26.279 14.085 -8.553 1.00 72.14 C ATOM 1145 CG ARG A 75 25.357 14.996 -9.348 1.00 5.11 C ATOM 1146 CD ARG A 75 26.119 15.761 -10.420 1.00 33.45 C ATOM 1147 NE ARG A 75 26.377 14.939 -11.599 1.00 54.12 N ATOM 1148 CZ ARG A 75 26.963 15.397 -12.700 1.00 20.14 C ATOM 1149 NH1 ARG A 75 27.351 16.663 -12.771 1.00 32.24 N ATOM 1150 NH2 ARG A 75 27.163 14.588 -13.732 1.00 22.41 N ATOM 0 H ARG A 75 24.537 11.813 -9.911 1.00 11.54 H new ATOM 0 HA ARG A 75 26.618 12.574 -10.044 1.00 24.13 H new ATOM 0 HB2 ARG A 75 25.999 14.127 -7.501 1.00 72.14 H new ATOM 0 HB3 ARG A 75 27.299 14.461 -8.626 1.00 72.14 H new ATOM 0 HG2 ARG A 75 24.570 14.403 -9.813 1.00 5.11 H new ATOM 0 HG3 ARG A 75 24.869 15.700 -8.674 1.00 5.11 H new ATOM 0 HD2 ARG A 75 25.548 16.643 -10.711 1.00 33.45 H new ATOM 0 HD3 ARG A 75 27.065 16.114 -10.010 1.00 33.45 H new ATOM 0 HE ARG A 75 26.092 13.960 -11.576 1.00 54.12 H new ATOM 0 HH11 ARG A 75 27.200 17.288 -11.979 1.00 32.24 H new ATOM 0 HH12 ARG A 75 27.801 17.012 -13.617 1.00 32.24 H new ATOM 0 HH21 ARG A 75 26.867 13.613 -13.681 1.00 22.41 H new ATOM 0 HH22 ARG A 75 27.613 14.941 -14.577 1.00 22.41 H new ATOM 1164 N ASP A 76 28.429 12.161 -8.062 1.00 5.14 N ATOM 1165 CA ASP A 76 29.400 11.438 -7.248 1.00 70.22 C ATOM 1166 C ASP A 76 28.903 11.288 -5.814 1.00 34.12 C ATOM 1167 O ASP A 76 28.058 12.056 -5.356 1.00 2.30 O ATOM 1168 CB ASP A 76 30.748 12.161 -7.261 1.00 33.31 C ATOM 1169 CG ASP A 76 31.617 11.744 -8.431 1.00 23.33 C ATOM 1170 OD1 ASP A 76 31.894 10.533 -8.562 1.00 0.31 O ATOM 1171 OD2 ASP A 76 32.022 12.628 -9.215 1.00 10.05 O ATOM 0 H ASP A 76 28.812 12.965 -8.560 1.00 5.14 H new ATOM 0 HA ASP A 76 29.526 10.443 -7.675 1.00 70.22 H new ATOM 0 HB2 ASP A 76 30.579 13.237 -7.303 1.00 33.31 H new ATOM 0 HB3 ASP A 76 31.276 11.957 -6.329 1.00 33.31 H new ATOM 1176 N ASN A 77 29.432 10.292 -5.110 1.00 50.14 N ATOM 1177 CA ASN A 77 29.040 10.040 -3.728 1.00 45.33 C ATOM 1178 C ASN A 77 29.190 11.301 -2.882 1.00 54.12 C ATOM 1179 O ASN A 77 30.290 11.643 -2.448 1.00 52.44 O ATOM 1180 CB ASN A 77 29.886 8.911 -3.135 1.00 15.34 C ATOM 1181 CG ASN A 77 31.372 9.136 -3.334 1.00 20.32 C ATOM 1182 OD1 ASN A 77 32.044 9.714 -2.479 1.00 71.53 O ATOM 1183 ND2 ASN A 77 31.893 8.678 -4.467 1.00 14.43 N ATOM 0 H ASN A 77 30.133 9.647 -5.474 1.00 50.14 H new ATOM 0 HA ASN A 77 27.992 9.742 -3.722 1.00 45.33 H new ATOM 0 HB2 ASN A 77 29.674 8.823 -2.069 1.00 15.34 H new ATOM 0 HB3 ASN A 77 29.600 7.966 -3.596 1.00 15.34 H new ATOM 0 HD21 ASN A 77 32.888 8.799 -4.657 1.00 14.43 H new ATOM 0 HD22 ASN A 77 31.298 8.205 -5.147 1.00 14.43 H new ATOM 1190 N ASP A 78 28.076 11.987 -2.651 1.00 53.15 N ATOM 1191 CA ASP A 78 28.081 13.209 -1.856 1.00 4.31 C ATOM 1192 C ASP A 78 26.679 13.803 -1.761 1.00 62.43 C ATOM 1193 O ASP A 78 26.336 14.730 -2.494 1.00 62.20 O ATOM 1194 CB ASP A 78 29.042 14.233 -2.462 1.00 41.43 C ATOM 1195 CG ASP A 78 30.344 14.333 -1.692 1.00 11.03 C ATOM 1196 OD1 ASP A 78 30.300 14.701 -0.499 1.00 45.25 O ATOM 1197 OD2 ASP A 78 31.406 14.044 -2.281 1.00 64.43 O ATOM 0 H ASP A 78 27.158 11.717 -3.003 1.00 53.15 H new ATOM 0 HA ASP A 78 28.417 12.957 -0.850 1.00 4.31 H new ATOM 0 HB2 ASP A 78 29.255 13.960 -3.496 1.00 41.43 H new ATOM 0 HB3 ASP A 78 28.560 15.211 -2.484 1.00 41.43 H new ATOM 1202 N ALA A 79 25.873 13.260 -0.855 1.00 12.43 N ATOM 1203 CA ALA A 79 24.508 13.737 -0.664 1.00 24.43 C ATOM 1204 C ALA A 79 24.298 14.244 0.759 1.00 42.22 C ATOM 1205 O ALA A 79 23.922 13.483 1.650 1.00 12.43 O ATOM 1206 CB ALA A 79 23.514 12.631 -0.984 1.00 32.42 C ATOM 0 H ALA A 79 26.141 12.490 -0.242 1.00 12.43 H new ATOM 0 HA ALA A 79 24.341 14.570 -1.347 1.00 24.43 H new ATOM 0 HB1 ALA A 79 22.499 13.000 -0.837 1.00 32.42 H new ATOM 0 HB2 ALA A 79 23.640 12.317 -2.020 1.00 32.42 H new ATOM 0 HB3 ALA A 79 23.690 11.782 -0.324 1.00 32.42 H new ATOM 1212 N SER A 80 24.545 15.534 0.964 1.00 14.14 N ATOM 1213 CA SER A 80 24.387 16.142 2.280 1.00 14.33 C ATOM 1214 C SER A 80 22.998 15.861 2.845 1.00 15.33 C ATOM 1215 O SER A 80 22.854 15.177 3.859 1.00 42.24 O ATOM 1216 CB SER A 80 24.621 17.652 2.199 1.00 33.01 C ATOM 1217 OG SER A 80 25.999 17.961 2.308 1.00 24.20 O ATOM 0 H SER A 80 24.855 16.178 0.236 1.00 14.14 H new ATOM 0 HA SER A 80 25.128 15.702 2.948 1.00 14.33 H new ATOM 0 HB2 SER A 80 24.233 18.033 1.254 1.00 33.01 H new ATOM 0 HB3 SER A 80 24.069 18.152 2.995 1.00 33.01 H new ATOM 0 HG SER A 80 26.407 17.957 1.417 1.00 24.20 H new ATOM 1223 N SER A 81 21.977 16.395 2.182 1.00 73.31 N ATOM 1224 CA SER A 81 20.598 16.205 2.619 1.00 44.40 C ATOM 1225 C SER A 81 19.740 15.652 1.486 1.00 63.25 C ATOM 1226 O SER A 81 20.054 15.832 0.309 1.00 54.52 O ATOM 1227 CB SER A 81 20.013 17.528 3.118 1.00 61.11 C ATOM 1228 OG SER A 81 18.599 17.529 3.021 1.00 24.43 O ATOM 0 H SER A 81 22.078 16.962 1.341 1.00 73.31 H new ATOM 0 HA SER A 81 20.598 15.484 3.436 1.00 44.40 H new ATOM 0 HB2 SER A 81 20.310 17.693 4.154 1.00 61.11 H new ATOM 0 HB3 SER A 81 20.421 18.353 2.534 1.00 61.11 H new ATOM 0 HG SER A 81 18.235 16.785 3.545 1.00 24.43 H new ATOM 1234 N VAL A 82 18.655 14.976 1.849 1.00 20.22 N ATOM 1235 CA VAL A 82 17.750 14.396 0.864 1.00 33.14 C ATOM 1236 C VAL A 82 16.296 14.551 1.296 1.00 52.22 C ATOM 1237 O VAL A 82 16.001 14.678 2.484 1.00 15.32 O ATOM 1238 CB VAL A 82 18.050 12.902 0.637 1.00 14.33 C ATOM 1239 CG1 VAL A 82 17.626 12.479 -0.761 1.00 11.01 C ATOM 1240 CG2 VAL A 82 19.526 12.615 0.866 1.00 51.03 C ATOM 0 H VAL A 82 18.381 14.816 2.819 1.00 20.22 H new ATOM 0 HA VAL A 82 17.909 14.937 -0.069 1.00 33.14 H new ATOM 0 HB VAL A 82 17.475 12.320 1.357 1.00 14.33 H new ATOM 0 HG11 VAL A 82 17.846 11.421 -0.903 1.00 11.01 H new ATOM 0 HG12 VAL A 82 16.556 12.647 -0.883 1.00 11.01 H new ATOM 0 HG13 VAL A 82 18.172 13.065 -1.500 1.00 11.01 H new ATOM 0 HG21 VAL A 82 19.720 11.555 0.701 1.00 51.03 H new ATOM 0 HG22 VAL A 82 20.124 13.206 0.172 1.00 51.03 H new ATOM 0 HG23 VAL A 82 19.793 12.878 1.889 1.00 51.03 H new ATOM 1250 N ARG A 83 15.391 14.540 0.322 1.00 20.55 N ATOM 1251 CA ARG A 83 13.967 14.680 0.601 1.00 31.24 C ATOM 1252 C ARG A 83 13.170 13.560 -0.062 1.00 41.31 C ATOM 1253 O ARG A 83 13.534 13.076 -1.134 1.00 30.12 O ATOM 1254 CB ARG A 83 13.461 16.039 0.113 1.00 23.43 C ATOM 1255 CG ARG A 83 12.941 16.931 1.228 1.00 1.21 C ATOM 1256 CD ARG A 83 13.347 18.381 1.016 1.00 55.33 C ATOM 1257 NE ARG A 83 12.402 19.310 1.632 1.00 60.54 N ATOM 1258 CZ ARG A 83 11.232 19.633 1.093 1.00 73.54 C ATOM 1259 NH1 ARG A 83 10.864 19.105 -0.067 1.00 33.34 N ATOM 1260 NH2 ARG A 83 10.426 20.485 1.714 1.00 64.22 N ATOM 0 H ARG A 83 15.619 14.436 -0.667 1.00 20.55 H new ATOM 0 HA ARG A 83 13.826 14.613 1.680 1.00 31.24 H new ATOM 0 HB2 ARG A 83 14.270 16.554 -0.405 1.00 23.43 H new ATOM 0 HB3 ARG A 83 12.666 15.881 -0.615 1.00 23.43 H new ATOM 0 HG2 ARG A 83 11.854 16.859 1.276 1.00 1.21 H new ATOM 0 HG3 ARG A 83 13.326 16.580 2.186 1.00 1.21 H new ATOM 0 HD2 ARG A 83 14.340 18.544 1.434 1.00 55.33 H new ATOM 0 HD3 ARG A 83 13.413 18.586 -0.052 1.00 55.33 H new ATOM 0 HE ARG A 83 12.655 19.734 2.525 1.00 60.54 H new ATOM 0 HH11 ARG A 83 11.480 18.449 -0.547 1.00 33.34 H new ATOM 0 HH12 ARG A 83 9.965 19.355 -0.479 1.00 33.34 H new ATOM 0 HH21 ARG A 83 10.705 20.893 2.606 1.00 64.22 H new ATOM 0 HH22 ARG A 83 9.528 20.732 1.299 1.00 64.22 H new ATOM 1274 N VAL A 84 12.081 13.153 0.583 1.00 43.32 N ATOM 1275 CA VAL A 84 11.232 12.092 0.056 1.00 65.44 C ATOM 1276 C VAL A 84 9.756 12.428 0.235 1.00 64.10 C ATOM 1277 O VAL A 84 9.354 12.974 1.262 1.00 40.41 O ATOM 1278 CB VAL A 84 11.528 10.744 0.741 1.00 12.32 C ATOM 1279 CG1 VAL A 84 11.656 10.927 2.246 1.00 51.42 C ATOM 1280 CG2 VAL A 84 10.444 9.729 0.410 1.00 42.54 C ATOM 0 H VAL A 84 11.766 13.543 1.472 1.00 43.32 H new ATOM 0 HA VAL A 84 11.455 12.007 -1.008 1.00 65.44 H new ATOM 0 HB VAL A 84 12.477 10.364 0.363 1.00 12.32 H new ATOM 0 HG11 VAL A 84 11.865 9.965 2.713 1.00 51.42 H new ATOM 0 HG12 VAL A 84 12.470 11.619 2.460 1.00 51.42 H new ATOM 0 HG13 VAL A 84 10.724 11.329 2.644 1.00 51.42 H new ATOM 0 HG21 VAL A 84 10.669 8.783 0.902 1.00 42.54 H new ATOM 0 HG22 VAL A 84 9.480 10.099 0.759 1.00 42.54 H new ATOM 0 HG23 VAL A 84 10.405 9.577 -0.669 1.00 42.54 H new ATOM 1290 N SER A 85 8.953 12.097 -0.771 1.00 42.01 N ATOM 1291 CA SER A 85 7.521 12.367 -0.726 1.00 71.12 C ATOM 1292 C SER A 85 6.774 11.507 -1.741 1.00 70.31 C ATOM 1293 O SER A 85 7.373 10.692 -2.443 1.00 43.24 O ATOM 1294 CB SER A 85 7.251 13.848 -0.999 1.00 33.21 C ATOM 1295 OG SER A 85 8.265 14.663 -0.438 1.00 11.03 O ATOM 0 H SER A 85 9.270 11.642 -1.627 1.00 42.01 H new ATOM 0 HA SER A 85 7.160 12.117 0.272 1.00 71.12 H new ATOM 0 HB2 SER A 85 7.196 14.019 -2.074 1.00 33.21 H new ATOM 0 HB3 SER A 85 6.283 14.127 -0.582 1.00 33.21 H new ATOM 0 HG SER A 85 8.502 14.325 0.451 1.00 11.03 H new ATOM 1301 N LYS A 86 5.460 11.694 -1.813 1.00 24.33 N ATOM 1302 CA LYS A 86 4.629 10.937 -2.741 1.00 51.34 C ATOM 1303 C LYS A 86 4.147 11.823 -3.886 1.00 3.31 C ATOM 1304 O LYS A 86 3.418 12.790 -3.670 1.00 12.45 O ATOM 1305 CB LYS A 86 3.428 10.335 -2.009 1.00 21.14 C ATOM 1306 CG LYS A 86 3.666 8.919 -1.513 1.00 74.13 C ATOM 1307 CD LYS A 86 4.384 8.910 -0.174 1.00 74.42 C ATOM 1308 CE LYS A 86 3.458 8.476 0.952 1.00 54.01 C ATOM 1309 NZ LYS A 86 2.797 9.639 1.606 1.00 41.51 N ATOM 0 H LYS A 86 4.948 12.364 -1.239 1.00 24.33 H new ATOM 0 HA LYS A 86 5.234 10.131 -3.157 1.00 51.34 H new ATOM 0 HB2 LYS A 86 3.174 10.970 -1.161 1.00 21.14 H new ATOM 0 HB3 LYS A 86 2.567 10.337 -2.678 1.00 21.14 H new ATOM 0 HG2 LYS A 86 2.712 8.400 -1.419 1.00 74.13 H new ATOM 0 HG3 LYS A 86 4.256 8.370 -2.247 1.00 74.13 H new ATOM 0 HD2 LYS A 86 5.239 8.236 -0.223 1.00 74.42 H new ATOM 0 HD3 LYS A 86 4.774 9.906 0.038 1.00 74.42 H new ATOM 0 HE2 LYS A 86 2.698 7.801 0.558 1.00 54.01 H new ATOM 0 HE3 LYS A 86 4.027 7.917 1.695 1.00 54.01 H new ATOM 0 HZ1 LYS A 86 2.174 9.301 2.368 1.00 41.51 H new ATOM 0 HZ2 LYS A 86 3.521 10.271 2.005 1.00 41.51 H new ATOM 0 HZ3 LYS A 86 2.233 10.158 0.903 1.00 41.51 H new ATOM 1323 N MET A 87 4.559 11.485 -5.103 1.00 43.44 N ATOM 1324 CA MET A 87 4.167 12.249 -6.282 1.00 11.51 C ATOM 1325 C MET A 87 2.740 11.909 -6.701 1.00 22.44 C ATOM 1326 O MET A 87 2.014 11.237 -5.969 1.00 74.24 O ATOM 1327 CB MET A 87 5.130 11.974 -7.438 1.00 52.25 C ATOM 1328 CG MET A 87 5.496 13.217 -8.234 1.00 34.14 C ATOM 1329 SD MET A 87 5.945 12.843 -9.939 1.00 62.12 S ATOM 1330 CE MET A 87 4.584 13.602 -10.822 1.00 64.04 C ATOM 0 H MET A 87 5.164 10.687 -5.299 1.00 43.44 H new ATOM 0 HA MET A 87 4.209 13.308 -6.028 1.00 11.51 H new ATOM 0 HB2 MET A 87 6.041 11.525 -7.042 1.00 52.25 H new ATOM 0 HB3 MET A 87 4.680 11.243 -8.109 1.00 52.25 H new ATOM 0 HG2 MET A 87 4.654 13.909 -8.228 1.00 34.14 H new ATOM 0 HG3 MET A 87 6.328 13.724 -7.746 1.00 34.14 H new ATOM 0 HE1 MET A 87 4.719 13.455 -11.894 1.00 64.04 H new ATOM 0 HE2 MET A 87 3.646 13.144 -10.508 1.00 64.04 H new ATOM 0 HE3 MET A 87 4.558 14.669 -10.602 1.00 64.04 H new