USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=21 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 57 ASN : amide:sc= 0.529 K(o=0.038,f=-4.4!) USER MOD Set 1.2: A 80 SER OG : rot 162:sc= -0.491 USER MOD Single : A 3 LYS NZ :NH3+ 168:sc=-0.00288 (180deg=-0.0596) USER MOD Single : A 4 THR OG1 : rot 70:sc= -0.227 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= -0.521 USER MOD Single : A 11 THR OG1 : rot 64:sc= 0.577 USER MOD Single : A 12 HIS : no HD1:sc= -0.37 X(o=-0.37,f=-0.019) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 120:sc= -0.757 USER MOD Single : A 17 SER OG : rot -73:sc= 0.892 USER MOD Single : A 25 TYR OH : rot 1:sc= 0.923 USER MOD Single : A 26 ASN : amide:sc= -0.0273 X(o=-0.027,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 160:sc= -0.304 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0177 USER MOD Single : A 37 ASN : amide:sc= -4.15! C(o=-4.1!,f=-6.5!) USER MOD Single : A 41 SER OG : rot 160:sc= -1.12 USER MOD Single : A 42 SER OG : rot -130:sc= -1.14 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.928 X(o=-0.93,f=-0.74) USER MOD Single : A 56 HIS : no HD1:sc= -0.382 X(o=-0.38,f=-0.14) USER MOD Single : A 58 ASN : amide:sc= -0.325 X(o=-0.32,f=-0.16) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot -146:sc= 0.13 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 -49:sc= -2.18 USER MOD Single : A 77 ASN : amide:sc= -1.25 X(o=-1.2,f=-1.6) USER MOD Single : A 81 SER OG : rot 59:sc= 1.03 USER MOD Single : A 85 SER OG : rot -43:sc= -0.227! USER MOD Single : A 86 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0209) USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 23 N LYS A 3 3.761 5.340 0.642 1.00 43.32 N ATOM 24 CA LYS A 3 4.945 5.033 -0.153 1.00 12.54 C ATOM 25 C LYS A 3 6.215 5.459 0.577 1.00 21.51 C ATOM 26 O LYS A 3 6.167 6.246 1.523 1.00 32.41 O ATOM 27 CB LYS A 3 4.867 5.732 -1.512 1.00 70.21 C ATOM 28 CG LYS A 3 3.522 5.574 -2.201 1.00 4.23 C ATOM 29 CD LYS A 3 3.675 4.991 -3.596 1.00 2.53 C ATOM 30 CE LYS A 3 3.454 3.487 -3.598 1.00 72.44 C ATOM 31 NZ LYS A 3 2.015 3.137 -3.442 1.00 53.42 N ATOM 0 HA LYS A 3 4.979 3.955 -0.307 1.00 12.54 H new ATOM 0 HB2 LYS A 3 5.074 6.794 -1.378 1.00 70.21 H new ATOM 0 HB3 LYS A 3 5.647 5.334 -2.161 1.00 70.21 H new ATOM 0 HG2 LYS A 3 2.880 4.927 -1.604 1.00 4.23 H new ATOM 0 HG3 LYS A 3 3.028 6.544 -2.263 1.00 4.23 H new ATOM 0 HD2 LYS A 3 2.962 5.466 -4.270 1.00 2.53 H new ATOM 0 HD3 LYS A 3 4.671 5.214 -3.978 1.00 2.53 H new ATOM 0 HE2 LYS A 3 3.831 3.066 -4.530 1.00 72.44 H new ATOM 0 HE3 LYS A 3 4.027 3.035 -2.789 1.00 72.44 H new ATOM 0 HZ1 LYS A 3 1.879 2.127 -3.650 1.00 53.42 H new ATOM 0 HZ2 LYS A 3 1.714 3.333 -2.466 1.00 53.42 H new ATOM 0 HZ3 LYS A 3 1.446 3.706 -4.101 1.00 53.42 H new ATOM 45 N THR A 4 7.352 4.934 0.131 1.00 63.01 N ATOM 46 CA THR A 4 8.635 5.259 0.741 1.00 3.30 C ATOM 47 C THR A 4 9.792 4.882 -0.177 1.00 62.10 C ATOM 48 O THR A 4 9.782 3.821 -0.801 1.00 21.41 O ATOM 49 CB THR A 4 8.812 4.542 2.093 1.00 45.33 C ATOM 50 OG1 THR A 4 10.163 4.683 2.548 1.00 33.35 O ATOM 51 CG2 THR A 4 8.463 3.067 1.972 1.00 24.53 C ATOM 0 H THR A 4 7.410 4.282 -0.651 1.00 63.01 H new ATOM 0 HA THR A 4 8.642 6.336 0.906 1.00 3.30 H new ATOM 0 HB THR A 4 8.136 5.001 2.815 1.00 45.33 H new ATOM 0 HG1 THR A 4 10.323 5.613 2.813 1.00 33.35 H new ATOM 0 HG21 THR A 4 8.595 2.581 2.939 1.00 24.53 H new ATOM 0 HG22 THR A 4 7.426 2.963 1.653 1.00 24.53 H new ATOM 0 HG23 THR A 4 9.117 2.597 1.237 1.00 24.53 H new ATOM 59 N VAL A 5 10.790 5.757 -0.255 1.00 54.10 N ATOM 60 CA VAL A 5 11.956 5.514 -1.096 1.00 53.50 C ATOM 61 C VAL A 5 13.074 4.846 -0.305 1.00 22.21 C ATOM 62 O VAL A 5 13.369 5.235 0.825 1.00 30.25 O ATOM 63 CB VAL A 5 12.487 6.823 -1.710 1.00 3.44 C ATOM 64 CG1 VAL A 5 12.752 7.854 -0.623 1.00 15.13 C ATOM 65 CG2 VAL A 5 13.746 6.558 -2.521 1.00 61.15 C ATOM 0 H VAL A 5 10.814 6.640 0.254 1.00 54.10 H new ATOM 0 HA VAL A 5 11.635 4.849 -1.898 1.00 53.50 H new ATOM 0 HB VAL A 5 11.727 7.224 -2.381 1.00 3.44 H new ATOM 0 HG11 VAL A 5 13.127 8.772 -1.076 1.00 15.13 H new ATOM 0 HG12 VAL A 5 11.826 8.065 -0.088 1.00 15.13 H new ATOM 0 HG13 VAL A 5 13.494 7.465 0.075 1.00 15.13 H new ATOM 0 HG21 VAL A 5 14.108 7.494 -2.948 1.00 61.15 H new ATOM 0 HG22 VAL A 5 14.513 6.134 -1.873 1.00 61.15 H new ATOM 0 HG23 VAL A 5 13.521 5.856 -3.324 1.00 61.15 H new ATOM 75 N LYS A 6 13.695 3.837 -0.906 1.00 64.04 N ATOM 76 CA LYS A 6 14.784 3.114 -0.260 1.00 71.51 C ATOM 77 C LYS A 6 16.136 3.570 -0.799 1.00 0.24 C ATOM 78 O LYS A 6 16.290 3.808 -1.997 1.00 41.04 O ATOM 79 CB LYS A 6 14.620 1.607 -0.474 1.00 43.01 C ATOM 80 CG LYS A 6 13.465 1.004 0.306 1.00 21.21 C ATOM 81 CD LYS A 6 13.313 -0.480 0.019 1.00 73.45 C ATOM 82 CE LYS A 6 11.924 -0.979 0.385 1.00 34.54 C ATOM 83 NZ LYS A 6 11.592 -2.255 -0.307 1.00 73.32 N ATOM 0 H LYS A 6 13.462 3.501 -1.841 1.00 64.04 H new ATOM 0 HA LYS A 6 14.747 3.330 0.808 1.00 71.51 H new ATOM 0 HB2 LYS A 6 14.470 1.414 -1.536 1.00 43.01 H new ATOM 0 HB3 LYS A 6 15.544 1.105 -0.186 1.00 43.01 H new ATOM 0 HG2 LYS A 6 13.628 1.154 1.373 1.00 21.21 H new ATOM 0 HG3 LYS A 6 12.541 1.522 0.048 1.00 21.21 H new ATOM 0 HD2 LYS A 6 13.502 -0.668 -1.038 1.00 73.45 H new ATOM 0 HD3 LYS A 6 14.061 -1.039 0.581 1.00 73.45 H new ATOM 0 HE2 LYS A 6 11.863 -1.124 1.464 1.00 34.54 H new ATOM 0 HE3 LYS A 6 11.185 -0.221 0.123 1.00 34.54 H new ATOM 0 HZ1 LYS A 6 10.637 -2.561 -0.031 1.00 73.32 H new ATOM 0 HZ2 LYS A 6 11.625 -2.110 -1.336 1.00 73.32 H new ATOM 0 HZ3 LYS A 6 12.281 -2.986 -0.038 1.00 73.32 H new ATOM 97 N LEU A 7 17.113 3.690 0.093 1.00 21.54 N ATOM 98 CA LEU A 7 18.454 4.116 -0.293 1.00 14.33 C ATOM 99 C LEU A 7 19.443 2.959 -0.196 1.00 14.02 C ATOM 100 O LEU A 7 19.537 2.295 0.837 1.00 64.03 O ATOM 101 CB LEU A 7 18.917 5.274 0.594 1.00 71.42 C ATOM 102 CG LEU A 7 18.220 6.615 0.365 1.00 40.22 C ATOM 103 CD1 LEU A 7 18.584 7.601 1.464 1.00 22.44 C ATOM 104 CD2 LEU A 7 18.584 7.179 -1.001 1.00 60.10 C ATOM 0 H LEU A 7 17.002 3.498 1.089 1.00 21.54 H new ATOM 0 HA LEU A 7 18.418 4.452 -1.329 1.00 14.33 H new ATOM 0 HB2 LEU A 7 18.775 4.987 1.636 1.00 71.42 H new ATOM 0 HB3 LEU A 7 19.988 5.414 0.445 1.00 71.42 H new ATOM 0 HG LEU A 7 17.143 6.452 0.394 1.00 40.22 H new ATOM 0 HD11 LEU A 7 18.078 8.550 1.284 1.00 22.44 H new ATOM 0 HD12 LEU A 7 18.273 7.201 2.429 1.00 22.44 H new ATOM 0 HD13 LEU A 7 19.662 7.760 1.468 1.00 22.44 H new ATOM 0 HD21 LEU A 7 18.079 8.134 -1.147 1.00 60.10 H new ATOM 0 HD22 LEU A 7 19.662 7.327 -1.058 1.00 60.10 H new ATOM 0 HD23 LEU A 7 18.272 6.481 -1.778 1.00 60.10 H new ATOM 116 N TYR A 8 20.178 2.725 -1.277 1.00 23.44 N ATOM 117 CA TYR A 8 21.160 1.647 -1.314 1.00 4.43 C ATOM 118 C TYR A 8 22.547 2.186 -1.655 1.00 75.52 C ATOM 119 O TYR A 8 22.681 3.148 -2.410 1.00 64.33 O ATOM 120 CB TYR A 8 20.747 0.587 -2.335 1.00 72.14 C ATOM 121 CG TYR A 8 19.386 -0.015 -2.066 1.00 40.14 C ATOM 122 CD1 TYR A 8 18.224 0.673 -2.392 1.00 74.34 C ATOM 123 CD2 TYR A 8 19.263 -1.272 -1.487 1.00 51.10 C ATOM 124 CE1 TYR A 8 16.978 0.127 -2.148 1.00 24.14 C ATOM 125 CE2 TYR A 8 18.022 -1.826 -1.240 1.00 32.10 C ATOM 126 CZ TYR A 8 16.883 -1.123 -1.572 1.00 13.44 C ATOM 127 OH TYR A 8 15.644 -1.670 -1.327 1.00 61.45 O ATOM 0 H TYR A 8 20.113 3.267 -2.139 1.00 23.44 H new ATOM 0 HA TYR A 8 21.200 1.191 -0.325 1.00 4.43 H new ATOM 0 HB2 TYR A 8 20.748 1.033 -3.330 1.00 72.14 H new ATOM 0 HB3 TYR A 8 21.492 -0.209 -2.342 1.00 72.14 H new ATOM 0 HD1 TYR A 8 18.296 1.651 -2.844 1.00 74.34 H new ATOM 0 HD2 TYR A 8 20.153 -1.825 -1.226 1.00 51.10 H new ATOM 0 HE1 TYR A 8 16.084 0.675 -2.407 1.00 24.14 H new ATOM 0 HE2 TYR A 8 17.944 -2.804 -0.789 1.00 32.10 H new ATOM 0 HH TYR A 8 15.752 -2.555 -0.919 1.00 61.45 H new ATOM 137 N GLU A 9 23.574 1.556 -1.093 1.00 74.12 N ATOM 138 CA GLU A 9 24.950 1.971 -1.338 1.00 11.22 C ATOM 139 C GLU A 9 25.498 1.318 -2.603 1.00 44.22 C ATOM 140 O GLU A 9 26.306 1.910 -3.320 1.00 30.12 O ATOM 141 CB GLU A 9 25.834 1.613 -0.142 1.00 3.34 C ATOM 142 CG GLU A 9 26.102 0.124 -0.006 1.00 73.33 C ATOM 143 CD GLU A 9 26.252 -0.313 1.438 1.00 63.21 C ATOM 144 OE1 GLU A 9 27.329 -0.070 2.023 1.00 75.44 O ATOM 145 OE2 GLU A 9 25.293 -0.898 1.983 1.00 31.02 O ATOM 0 H GLU A 9 23.479 0.757 -0.466 1.00 74.12 H new ATOM 0 HA GLU A 9 24.958 3.052 -1.476 1.00 11.22 H new ATOM 0 HB2 GLU A 9 26.785 2.138 -0.234 1.00 3.34 H new ATOM 0 HB3 GLU A 9 25.359 1.973 0.771 1.00 3.34 H new ATOM 0 HG2 GLU A 9 25.285 -0.432 -0.467 1.00 73.33 H new ATOM 0 HG3 GLU A 9 27.009 -0.129 -0.554 1.00 73.33 H new ATOM 152 N ASP A 10 25.054 0.095 -2.871 1.00 4.13 N ATOM 153 CA ASP A 10 25.500 -0.639 -4.049 1.00 73.24 C ATOM 154 C ASP A 10 24.731 -0.194 -5.289 1.00 72.05 C ATOM 155 O ASP A 10 23.530 0.072 -5.227 1.00 71.11 O ATOM 156 CB ASP A 10 25.322 -2.143 -3.837 1.00 22.34 C ATOM 157 CG ASP A 10 26.187 -2.966 -4.771 1.00 61.21 C ATOM 158 OD1 ASP A 10 25.730 -3.263 -5.895 1.00 2.14 O ATOM 159 OD2 ASP A 10 27.321 -3.314 -4.379 1.00 34.45 O ATOM 0 H ASP A 10 24.386 -0.409 -2.288 1.00 4.13 H new ATOM 0 HA ASP A 10 26.558 -0.424 -4.202 1.00 73.24 H new ATOM 0 HB2 ASP A 10 25.567 -2.393 -2.805 1.00 22.34 H new ATOM 0 HB3 ASP A 10 24.275 -2.407 -3.989 1.00 22.34 H new ATOM 164 N THR A 11 25.431 -0.114 -6.417 1.00 1.32 N ATOM 165 CA THR A 11 24.816 0.301 -7.671 1.00 14.31 C ATOM 166 C THR A 11 23.994 -0.829 -8.281 1.00 12.45 C ATOM 167 O THR A 11 24.258 -1.267 -9.401 1.00 33.45 O ATOM 168 CB THR A 11 25.874 0.759 -8.692 1.00 3.43 C ATOM 169 OG1 THR A 11 26.736 -0.334 -9.027 1.00 43.44 O ATOM 170 CG2 THR A 11 26.699 1.910 -8.136 1.00 43.41 C ATOM 0 H THR A 11 26.425 -0.332 -6.487 1.00 1.32 H new ATOM 0 HA THR A 11 24.160 1.140 -7.438 1.00 14.31 H new ATOM 0 HB THR A 11 25.358 1.102 -9.589 1.00 3.43 H new ATOM 0 HG1 THR A 11 26.217 -1.036 -9.472 1.00 43.44 H new ATOM 0 HG21 THR A 11 27.440 2.217 -8.874 1.00 43.41 H new ATOM 0 HG22 THR A 11 26.044 2.751 -7.909 1.00 43.41 H new ATOM 0 HG23 THR A 11 27.206 1.588 -7.226 1.00 43.41 H new ATOM 178 N HIS A 12 22.996 -1.296 -7.537 1.00 71.12 N ATOM 179 CA HIS A 12 22.134 -2.375 -8.006 1.00 71.30 C ATOM 180 C HIS A 12 21.079 -2.721 -6.960 1.00 34.22 C ATOM 181 O HIS A 12 19.880 -2.685 -7.237 1.00 14.20 O ATOM 182 CB HIS A 12 22.966 -3.614 -8.337 1.00 24.44 C ATOM 183 CG HIS A 12 22.836 -4.061 -9.760 1.00 71.31 C ATOM 184 ND1 HIS A 12 22.733 -5.387 -10.126 1.00 55.33 N ATOM 185 CD2 HIS A 12 22.791 -3.350 -10.911 1.00 14.02 C ATOM 186 CE1 HIS A 12 22.631 -5.471 -11.441 1.00 30.43 C ATOM 187 NE2 HIS A 12 22.663 -4.249 -11.941 1.00 22.23 N ATOM 0 H HIS A 12 22.765 -0.944 -6.608 1.00 71.12 H new ATOM 0 HA HIS A 12 21.627 -2.035 -8.909 1.00 71.30 H new ATOM 0 HB2 HIS A 12 24.014 -3.404 -8.125 1.00 24.44 H new ATOM 0 HB3 HIS A 12 22.665 -4.430 -7.680 1.00 24.44 H new ATOM 0 HD2 HIS A 12 22.846 -2.275 -11.002 1.00 14.02 H new ATOM 0 HE1 HIS A 12 22.537 -6.384 -12.010 1.00 30.43 H new ATOM 0 HE2 HIS A 12 22.602 -4.012 -12.931 1.00 22.23 H new ATOM 195 N PHE A 13 21.533 -3.058 -5.757 1.00 52.50 N ATOM 196 CA PHE A 13 20.628 -3.412 -4.670 1.00 10.23 C ATOM 197 C PHE A 13 21.408 -3.857 -3.436 1.00 60.12 C ATOM 198 O PHE A 13 20.951 -3.691 -2.305 1.00 5.01 O ATOM 199 CB PHE A 13 19.675 -4.524 -5.113 1.00 13.40 C ATOM 200 CG PHE A 13 18.224 -4.158 -4.980 1.00 0.12 C ATOM 201 CD1 PHE A 13 17.634 -4.056 -3.731 1.00 15.05 C ATOM 202 CD2 PHE A 13 17.451 -3.915 -6.104 1.00 21.42 C ATOM 203 CE1 PHE A 13 16.299 -3.720 -3.605 1.00 73.44 C ATOM 204 CE2 PHE A 13 16.116 -3.579 -5.985 1.00 13.01 C ATOM 205 CZ PHE A 13 15.539 -3.480 -4.734 1.00 21.41 C ATOM 0 H PHE A 13 22.522 -3.093 -5.511 1.00 52.50 H new ATOM 0 HA PHE A 13 20.047 -2.527 -4.411 1.00 10.23 H new ATOM 0 HB2 PHE A 13 19.884 -4.778 -6.152 1.00 13.40 H new ATOM 0 HB3 PHE A 13 19.872 -5.418 -4.521 1.00 13.40 H new ATOM 0 HD1 PHE A 13 18.224 -4.241 -2.845 1.00 15.05 H new ATOM 0 HD2 PHE A 13 17.897 -3.989 -7.085 1.00 21.42 H new ATOM 0 HE1 PHE A 13 15.850 -3.645 -2.625 1.00 73.44 H new ATOM 0 HE2 PHE A 13 15.524 -3.394 -6.869 1.00 13.01 H new ATOM 0 HZ PHE A 13 14.496 -3.216 -4.638 1.00 21.41 H new ATOM 215 N LYS A 14 22.588 -4.425 -3.663 1.00 11.52 N ATOM 216 CA LYS A 14 23.434 -4.894 -2.572 1.00 32.11 C ATOM 217 C LYS A 14 23.591 -3.817 -1.503 1.00 70.21 C ATOM 218 O LYS A 14 23.360 -2.636 -1.759 1.00 72.42 O ATOM 219 CB LYS A 14 24.809 -5.303 -3.105 1.00 72.00 C ATOM 220 CG LYS A 14 25.295 -6.640 -2.572 1.00 52.31 C ATOM 221 CD LYS A 14 25.329 -7.696 -3.664 1.00 22.12 C ATOM 222 CE LYS A 14 26.663 -7.699 -4.395 1.00 10.11 C ATOM 223 NZ LYS A 14 27.300 -9.045 -4.381 1.00 3.31 N ATOM 0 H LYS A 14 22.980 -4.572 -4.593 1.00 11.52 H new ATOM 0 HA LYS A 14 22.953 -5.762 -2.120 1.00 32.11 H new ATOM 0 HB2 LYS A 14 24.769 -5.348 -4.193 1.00 72.00 H new ATOM 0 HB3 LYS A 14 25.534 -4.532 -2.845 1.00 72.00 H new ATOM 0 HG2 LYS A 14 26.292 -6.523 -2.147 1.00 52.31 H new ATOM 0 HG3 LYS A 14 24.641 -6.971 -1.765 1.00 52.31 H new ATOM 0 HD2 LYS A 14 25.150 -8.678 -3.227 1.00 22.12 H new ATOM 0 HD3 LYS A 14 24.524 -7.512 -4.375 1.00 22.12 H new ATOM 0 HE2 LYS A 14 26.513 -7.379 -5.426 1.00 10.11 H new ATOM 0 HE3 LYS A 14 27.333 -6.975 -3.931 1.00 10.11 H new ATOM 0 HZ1 LYS A 14 28.207 -9.005 -4.889 1.00 3.31 H new ATOM 0 HZ2 LYS A 14 27.467 -9.340 -3.398 1.00 3.31 H new ATOM 0 HZ3 LYS A 14 26.672 -9.731 -4.846 1.00 3.31 H new ATOM 237 N GLY A 15 23.987 -4.233 -0.304 1.00 23.11 N ATOM 238 CA GLY A 15 24.170 -3.291 0.785 1.00 71.21 C ATOM 239 C GLY A 15 22.931 -3.155 1.647 1.00 12.52 C ATOM 240 O GLY A 15 21.935 -3.845 1.429 1.00 30.02 O ATOM 0 H GLY A 15 24.184 -5.205 -0.067 1.00 23.11 H new ATOM 0 HA2 GLY A 15 25.006 -3.614 1.405 1.00 71.21 H new ATOM 0 HA3 GLY A 15 24.434 -2.315 0.377 1.00 71.21 H new ATOM 244 N TYR A 16 22.991 -2.263 2.630 1.00 5.00 N ATOM 245 CA TYR A 16 21.867 -2.041 3.531 1.00 31.01 C ATOM 246 C TYR A 16 20.924 -0.979 2.974 1.00 1.44 C ATOM 247 O TYR A 16 21.357 0.098 2.563 1.00 62.30 O ATOM 248 CB TYR A 16 22.369 -1.619 4.913 1.00 21.41 C ATOM 249 CG TYR A 16 23.121 -0.307 4.910 1.00 75.41 C ATOM 250 CD1 TYR A 16 24.494 -0.271 4.704 1.00 50.04 C ATOM 251 CD2 TYR A 16 22.456 0.896 5.112 1.00 4.34 C ATOM 252 CE1 TYR A 16 25.184 0.925 4.701 1.00 44.52 C ATOM 253 CE2 TYR A 16 23.139 2.098 5.110 1.00 75.33 C ATOM 254 CZ TYR A 16 24.502 2.107 4.904 1.00 4.00 C ATOM 255 OH TYR A 16 25.186 3.301 4.900 1.00 3.15 O ATOM 0 H TYR A 16 23.807 -1.682 2.823 1.00 5.00 H new ATOM 0 HA TYR A 16 21.317 -2.978 3.622 1.00 31.01 H new ATOM 0 HB2 TYR A 16 21.519 -1.539 5.590 1.00 21.41 H new ATOM 0 HB3 TYR A 16 23.019 -2.400 5.308 1.00 21.41 H new ATOM 0 HD1 TYR A 16 25.031 -1.194 4.543 1.00 50.04 H new ATOM 0 HD2 TYR A 16 21.388 0.892 5.273 1.00 4.34 H new ATOM 0 HE1 TYR A 16 26.252 0.935 4.541 1.00 44.52 H new ATOM 0 HE2 TYR A 16 22.608 3.025 5.269 1.00 75.33 H new ATOM 0 HH TYR A 16 24.834 3.877 4.189 1.00 3.15 H new ATOM 265 N SER A 17 19.632 -1.290 2.966 1.00 52.35 N ATOM 266 CA SER A 17 18.626 -0.364 2.457 1.00 63.21 C ATOM 267 C SER A 17 18.147 0.577 3.558 1.00 24.32 C ATOM 268 O SER A 17 17.997 0.175 4.712 1.00 33.21 O ATOM 269 CB SER A 17 17.439 -1.136 1.878 1.00 40.24 C ATOM 270 OG SER A 17 17.798 -2.473 1.576 1.00 30.13 O ATOM 0 H SER A 17 19.257 -2.175 3.306 1.00 52.35 H new ATOM 0 HA SER A 17 19.083 0.232 1.667 1.00 63.21 H new ATOM 0 HB2 SER A 17 16.615 -1.130 2.591 1.00 40.24 H new ATOM 0 HB3 SER A 17 17.083 -0.639 0.975 1.00 40.24 H new ATOM 0 HG SER A 17 18.372 -2.486 0.782 1.00 30.13 H new ATOM 276 N VAL A 18 17.910 1.833 3.193 1.00 34.41 N ATOM 277 CA VAL A 18 17.447 2.832 4.148 1.00 34.15 C ATOM 278 C VAL A 18 16.202 3.548 3.635 1.00 22.34 C ATOM 279 O VAL A 18 16.279 4.368 2.721 1.00 20.22 O ATOM 280 CB VAL A 18 18.541 3.875 4.444 1.00 55.33 C ATOM 281 CG1 VAL A 18 17.984 5.007 5.294 1.00 53.12 C ATOM 282 CG2 VAL A 18 19.731 3.220 5.128 1.00 72.35 C ATOM 0 H VAL A 18 18.031 2.183 2.242 1.00 34.41 H new ATOM 0 HA VAL A 18 17.203 2.301 5.068 1.00 34.15 H new ATOM 0 HB VAL A 18 18.882 4.296 3.498 1.00 55.33 H new ATOM 0 HG11 VAL A 18 18.771 5.734 5.493 1.00 53.12 H new ATOM 0 HG12 VAL A 18 17.167 5.494 4.762 1.00 53.12 H new ATOM 0 HG13 VAL A 18 17.614 4.606 6.237 1.00 53.12 H new ATOM 0 HG21 VAL A 18 20.494 3.972 5.329 1.00 72.35 H new ATOM 0 HG22 VAL A 18 19.409 2.770 6.067 1.00 72.35 H new ATOM 0 HG23 VAL A 18 20.145 2.448 4.479 1.00 72.35 H new ATOM 292 N GLU A 19 15.056 3.232 4.231 1.00 64.41 N ATOM 293 CA GLU A 19 13.795 3.845 3.833 1.00 11.11 C ATOM 294 C GLU A 19 13.402 4.958 4.800 1.00 4.32 C ATOM 295 O GLU A 19 13.692 4.889 5.995 1.00 22.24 O ATOM 296 CB GLU A 19 12.686 2.792 3.773 1.00 24.05 C ATOM 297 CG GLU A 19 12.032 2.520 5.118 1.00 43.13 C ATOM 298 CD GLU A 19 13.025 2.057 6.166 1.00 32.14 C ATOM 299 OE1 GLU A 19 13.744 1.069 5.909 1.00 74.04 O ATOM 300 OE2 GLU A 19 13.082 2.683 7.245 1.00 5.34 O ATOM 0 H GLU A 19 14.976 2.556 4.990 1.00 64.41 H new ATOM 0 HA GLU A 19 13.929 4.278 2.842 1.00 11.11 H new ATOM 0 HB2 GLU A 19 11.923 3.120 3.067 1.00 24.05 H new ATOM 0 HB3 GLU A 19 13.100 1.862 3.385 1.00 24.05 H new ATOM 0 HG2 GLU A 19 11.537 3.426 5.467 1.00 43.13 H new ATOM 0 HG3 GLU A 19 11.259 1.762 4.995 1.00 43.13 H new ATOM 307 N LEU A 20 12.742 5.984 4.275 1.00 11.32 N ATOM 308 CA LEU A 20 12.309 7.114 5.091 1.00 63.12 C ATOM 309 C LEU A 20 10.996 7.690 4.571 1.00 63.05 C ATOM 310 O LEU A 20 10.792 7.845 3.366 1.00 10.14 O ATOM 311 CB LEU A 20 13.386 8.200 5.105 1.00 41.23 C ATOM 312 CG LEU A 20 14.399 8.156 3.960 1.00 52.31 C ATOM 313 CD1 LEU A 20 14.950 9.546 3.681 1.00 24.15 C ATOM 314 CD2 LEU A 20 15.527 7.187 4.283 1.00 40.43 C ATOM 0 H LEU A 20 12.495 6.057 3.288 1.00 11.32 H new ATOM 0 HA LEU A 20 12.149 6.756 6.108 1.00 63.12 H new ATOM 0 HB2 LEU A 20 12.893 9.172 5.090 1.00 41.23 H new ATOM 0 HB3 LEU A 20 13.930 8.132 6.047 1.00 41.23 H new ATOM 0 HG LEU A 20 13.890 7.803 3.063 1.00 52.31 H new ATOM 0 HD11 LEU A 20 15.669 9.495 2.863 1.00 24.15 H new ATOM 0 HD12 LEU A 20 14.133 10.213 3.405 1.00 24.15 H new ATOM 0 HD13 LEU A 20 15.443 9.928 4.575 1.00 24.15 H new ATOM 0 HD21 LEU A 20 16.238 7.168 3.457 1.00 40.43 H new ATOM 0 HD22 LEU A 20 16.035 7.509 5.192 1.00 40.43 H new ATOM 0 HD23 LEU A 20 15.117 6.188 4.431 1.00 40.43 H new ATOM 326 N PRO A 21 10.085 8.017 5.498 1.00 14.22 N ATOM 327 CA PRO A 21 8.776 8.584 5.157 1.00 5.22 C ATOM 328 C PRO A 21 8.884 10.007 4.620 1.00 53.14 C ATOM 329 O PRO A 21 9.930 10.646 4.731 1.00 11.42 O ATOM 330 CB PRO A 21 8.026 8.572 6.491 1.00 33.31 C ATOM 331 CG PRO A 21 9.095 8.614 7.528 1.00 53.32 C ATOM 332 CD PRO A 21 10.261 7.859 6.952 1.00 53.43 C ATOM 0 HA PRO A 21 8.280 8.019 4.368 1.00 5.22 H new ATOM 0 HB2 PRO A 21 7.358 9.429 6.577 1.00 33.31 H new ATOM 0 HB3 PRO A 21 7.412 7.677 6.592 1.00 33.31 H new ATOM 0 HG2 PRO A 21 9.373 9.642 7.761 1.00 53.32 H new ATOM 0 HG3 PRO A 21 8.755 8.157 8.457 1.00 53.32 H new ATOM 0 HD2 PRO A 21 11.212 8.271 7.289 1.00 53.43 H new ATOM 0 HD3 PRO A 21 10.246 6.810 7.247 1.00 53.43 H new ATOM 340 N VAL A 22 7.795 10.498 4.036 1.00 11.23 N ATOM 341 CA VAL A 22 7.766 11.847 3.483 1.00 63.33 C ATOM 342 C VAL A 22 8.395 12.849 4.444 1.00 33.04 C ATOM 343 O VAL A 22 7.888 13.072 5.543 1.00 4.22 O ATOM 344 CB VAL A 22 6.327 12.292 3.163 1.00 71.31 C ATOM 345 CG1 VAL A 22 5.431 12.118 4.380 1.00 61.42 C ATOM 346 CG2 VAL A 22 6.310 13.734 2.681 1.00 44.35 C ATOM 0 H VAL A 22 6.921 9.982 3.934 1.00 11.23 H new ATOM 0 HA VAL A 22 8.344 11.822 2.559 1.00 63.33 H new ATOM 0 HB VAL A 22 5.940 11.661 2.363 1.00 71.31 H new ATOM 0 HG11 VAL A 22 4.418 12.438 4.135 1.00 61.42 H new ATOM 0 HG12 VAL A 22 5.419 11.069 4.676 1.00 61.42 H new ATOM 0 HG13 VAL A 22 5.813 12.723 5.203 1.00 61.42 H new ATOM 0 HG21 VAL A 22 5.285 14.032 2.460 1.00 44.35 H new ATOM 0 HG22 VAL A 22 6.716 14.382 3.458 1.00 44.35 H new ATOM 0 HG23 VAL A 22 6.917 13.824 1.780 1.00 44.35 H new ATOM 356 N GLY A 23 9.502 13.452 4.022 1.00 23.34 N ATOM 357 CA GLY A 23 10.182 14.424 4.858 1.00 1.01 C ATOM 358 C GLY A 23 11.584 14.730 4.369 1.00 72.22 C ATOM 359 O GLY A 23 12.066 14.111 3.420 1.00 24.45 O ATOM 0 H GLY A 23 9.940 13.285 3.116 1.00 23.34 H new ATOM 0 HA2 GLY A 23 9.601 15.346 4.885 1.00 1.01 H new ATOM 0 HA3 GLY A 23 10.231 14.048 5.880 1.00 1.01 H new ATOM 363 N ASP A 24 12.238 15.688 5.015 1.00 3.13 N ATOM 364 CA ASP A 24 13.593 16.076 4.640 1.00 22.31 C ATOM 365 C ASP A 24 14.585 15.719 5.743 1.00 64.05 C ATOM 366 O ASP A 24 14.308 15.909 6.927 1.00 74.31 O ATOM 367 CB ASP A 24 13.655 17.576 4.347 1.00 33.42 C ATOM 368 CG ASP A 24 12.590 18.355 5.093 1.00 11.42 C ATOM 369 OD1 ASP A 24 12.832 18.722 6.262 1.00 5.42 O ATOM 370 OD2 ASP A 24 11.514 18.599 4.508 1.00 44.42 O ATOM 0 H ASP A 24 11.852 16.211 5.801 1.00 3.13 H new ATOM 0 HA ASP A 24 13.865 15.527 3.739 1.00 22.31 H new ATOM 0 HB2 ASP A 24 14.639 17.957 4.621 1.00 33.42 H new ATOM 0 HB3 ASP A 24 13.537 17.739 3.276 1.00 33.42 H new ATOM 375 N TYR A 25 15.742 15.201 5.345 1.00 21.21 N ATOM 376 CA TYR A 25 16.774 14.814 6.299 1.00 24.05 C ATOM 377 C TYR A 25 18.129 15.393 5.902 1.00 54.32 C ATOM 378 O TYR A 25 18.387 15.646 4.726 1.00 72.01 O ATOM 379 CB TYR A 25 16.867 13.290 6.393 1.00 12.01 C ATOM 380 CG TYR A 25 15.521 12.602 6.416 1.00 54.15 C ATOM 381 CD1 TYR A 25 14.751 12.500 5.263 1.00 22.53 C ATOM 382 CD2 TYR A 25 15.018 12.054 7.589 1.00 25.44 C ATOM 383 CE1 TYR A 25 13.520 11.872 5.280 1.00 44.54 C ATOM 384 CE2 TYR A 25 13.789 11.423 7.615 1.00 43.42 C ATOM 385 CZ TYR A 25 13.044 11.336 6.458 1.00 71.15 C ATOM 386 OH TYR A 25 11.819 10.709 6.478 1.00 50.24 O ATOM 0 H TYR A 25 15.988 15.040 4.368 1.00 21.21 H new ATOM 0 HA TYR A 25 16.499 15.216 7.274 1.00 24.05 H new ATOM 0 HB2 TYR A 25 17.442 12.916 5.546 1.00 12.01 H new ATOM 0 HB3 TYR A 25 17.418 13.023 7.295 1.00 12.01 H new ATOM 0 HD1 TYR A 25 15.121 12.918 4.339 1.00 22.53 H new ATOM 0 HD2 TYR A 25 15.598 12.122 8.497 1.00 25.44 H new ATOM 0 HE1 TYR A 25 12.934 11.801 4.376 1.00 44.54 H new ATOM 0 HE2 TYR A 25 13.414 11.001 8.536 1.00 43.42 H new ATOM 0 HH TYR A 25 11.432 10.718 5.578 1.00 50.24 H new ATOM 396 N ASN A 26 18.990 15.601 6.892 1.00 21.54 N ATOM 397 CA ASN A 26 20.319 16.150 6.647 1.00 33.15 C ATOM 398 C ASN A 26 21.389 15.074 6.800 1.00 21.45 C ATOM 399 O ASN A 26 21.081 13.906 7.042 1.00 31.23 O ATOM 400 CB ASN A 26 20.601 17.306 7.610 1.00 73.25 C ATOM 401 CG ASN A 26 19.564 18.408 7.509 1.00 35.41 C ATOM 402 OD1 ASN A 26 19.745 19.381 6.778 1.00 1.41 O ATOM 403 ND2 ASN A 26 18.469 18.258 8.246 1.00 53.33 N ATOM 0 H ASN A 26 18.792 15.398 7.872 1.00 21.54 H new ATOM 0 HA ASN A 26 20.348 16.523 5.623 1.00 33.15 H new ATOM 0 HB2 ASN A 26 20.626 16.927 8.632 1.00 73.25 H new ATOM 0 HB3 ASN A 26 21.588 17.719 7.399 1.00 73.25 H new ATOM 0 HD21 ASN A 26 17.736 18.966 8.220 1.00 53.33 H new ATOM 0 HD22 ASN A 26 18.362 17.434 8.838 1.00 53.33 H new ATOM 410 N LEU A 27 22.648 15.474 6.659 1.00 53.45 N ATOM 411 CA LEU A 27 23.765 14.545 6.782 1.00 62.24 C ATOM 412 C LEU A 27 23.693 13.778 8.098 1.00 2.01 C ATOM 413 O LEU A 27 23.746 12.548 8.115 1.00 12.35 O ATOM 414 CB LEU A 27 25.093 15.298 6.689 1.00 43.12 C ATOM 415 CG LEU A 27 26.330 14.541 7.174 1.00 32.31 C ATOM 416 CD1 LEU A 27 27.555 14.947 6.370 1.00 53.14 C ATOM 417 CD2 LEU A 27 26.558 14.788 8.658 1.00 22.32 C ATOM 0 H LEU A 27 22.921 16.436 6.459 1.00 53.45 H new ATOM 0 HA LEU A 27 23.702 13.829 5.962 1.00 62.24 H new ATOM 0 HB2 LEU A 27 25.252 15.586 5.650 1.00 43.12 H new ATOM 0 HB3 LEU A 27 25.006 16.219 7.265 1.00 43.12 H new ATOM 0 HG LEU A 27 26.161 13.475 7.025 1.00 32.31 H new ATOM 0 HD11 LEU A 27 28.425 14.398 6.730 1.00 53.14 H new ATOM 0 HD12 LEU A 27 27.391 14.718 5.317 1.00 53.14 H new ATOM 0 HD13 LEU A 27 27.728 16.017 6.486 1.00 53.14 H new ATOM 0 HD21 LEU A 27 27.442 14.242 8.986 1.00 22.32 H new ATOM 0 HD22 LEU A 27 26.705 15.854 8.831 1.00 22.32 H new ATOM 0 HD23 LEU A 27 25.690 14.445 9.221 1.00 22.32 H new ATOM 429 N SER A 28 23.571 14.513 9.199 1.00 35.30 N ATOM 430 CA SER A 28 23.493 13.902 10.521 1.00 73.01 C ATOM 431 C SER A 28 22.277 12.986 10.625 1.00 12.35 C ATOM 432 O SER A 28 22.361 11.883 11.166 1.00 41.53 O ATOM 433 CB SER A 28 23.426 14.982 11.602 1.00 1.40 C ATOM 434 OG SER A 28 24.660 15.671 11.712 1.00 71.33 O ATOM 0 H SER A 28 23.524 15.532 9.202 1.00 35.30 H new ATOM 0 HA SER A 28 24.391 13.303 10.671 1.00 73.01 H new ATOM 0 HB2 SER A 28 22.631 15.689 11.365 1.00 1.40 H new ATOM 0 HB3 SER A 28 23.173 14.527 12.560 1.00 1.40 H new ATOM 0 HG SER A 28 24.591 16.357 12.408 1.00 71.33 H new ATOM 440 N SER A 29 21.146 13.452 10.104 1.00 3.54 N ATOM 441 CA SER A 29 19.911 12.678 10.142 1.00 41.41 C ATOM 442 C SER A 29 20.096 11.327 9.459 1.00 61.22 C ATOM 443 O SER A 29 19.450 10.342 9.820 1.00 62.14 O ATOM 444 CB SER A 29 18.778 13.453 9.466 1.00 1.22 C ATOM 445 OG SER A 29 17.533 12.801 9.651 1.00 45.21 O ATOM 0 H SER A 29 21.060 14.362 9.651 1.00 3.54 H new ATOM 0 HA SER A 29 19.651 12.505 11.186 1.00 41.41 H new ATOM 0 HB2 SER A 29 18.728 14.462 9.876 1.00 1.22 H new ATOM 0 HB3 SER A 29 18.986 13.552 8.401 1.00 1.22 H new ATOM 0 HG SER A 29 16.804 13.440 9.506 1.00 45.21 H new ATOM 451 N LEU A 30 20.982 11.287 8.470 1.00 3.30 N ATOM 452 CA LEU A 30 21.254 10.057 7.735 1.00 70.03 C ATOM 453 C LEU A 30 22.076 9.088 8.579 1.00 52.31 C ATOM 454 O LEU A 30 21.927 7.871 8.466 1.00 42.12 O ATOM 455 CB LEU A 30 21.993 10.370 6.433 1.00 42.43 C ATOM 456 CG LEU A 30 21.118 10.759 5.241 1.00 51.13 C ATOM 457 CD1 LEU A 30 21.857 11.726 4.328 1.00 30.34 C ATOM 458 CD2 LEU A 30 20.686 9.520 4.470 1.00 15.21 C ATOM 0 H LEU A 30 21.524 12.093 8.159 1.00 3.30 H new ATOM 0 HA LEU A 30 20.300 9.586 7.500 1.00 70.03 H new ATOM 0 HB2 LEU A 30 22.695 11.182 6.623 1.00 42.43 H new ATOM 0 HB3 LEU A 30 22.584 9.497 6.155 1.00 42.43 H new ATOM 0 HG LEU A 30 20.225 11.258 5.618 1.00 51.13 H new ATOM 0 HD11 LEU A 30 21.218 11.991 3.486 1.00 30.34 H new ATOM 0 HD12 LEU A 30 22.116 12.627 4.885 1.00 30.34 H new ATOM 0 HD13 LEU A 30 22.767 11.254 3.959 1.00 30.34 H new ATOM 0 HD21 LEU A 30 20.064 9.816 3.625 1.00 15.21 H new ATOM 0 HD22 LEU A 30 21.567 8.993 4.105 1.00 15.21 H new ATOM 0 HD23 LEU A 30 20.117 8.863 5.127 1.00 15.21 H new ATOM 470 N ILE A 31 22.941 9.636 9.426 1.00 53.53 N ATOM 471 CA ILE A 31 23.783 8.821 10.291 1.00 22.32 C ATOM 472 C ILE A 31 22.941 7.992 11.256 1.00 43.42 C ATOM 473 O ILE A 31 23.360 6.924 11.701 1.00 31.12 O ATOM 474 CB ILE A 31 24.766 9.688 11.100 1.00 70.10 C ATOM 475 CG1 ILE A 31 25.442 10.715 10.189 1.00 23.24 C ATOM 476 CG2 ILE A 31 25.805 8.813 11.784 1.00 24.40 C ATOM 477 CD1 ILE A 31 26.069 10.107 8.954 1.00 11.10 C ATOM 0 H ILE A 31 23.077 10.641 9.531 1.00 53.53 H new ATOM 0 HA ILE A 31 24.350 8.154 9.641 1.00 22.32 H new ATOM 0 HB ILE A 31 24.208 10.223 11.869 1.00 70.10 H new ATOM 0 HG12 ILE A 31 24.706 11.459 9.884 1.00 23.24 H new ATOM 0 HG13 ILE A 31 26.211 11.241 10.755 1.00 23.24 H new ATOM 0 HG21 ILE A 31 26.492 9.440 12.352 1.00 24.40 H new ATOM 0 HG22 ILE A 31 25.307 8.117 12.459 1.00 24.40 H new ATOM 0 HG23 ILE A 31 26.361 8.253 11.032 1.00 24.40 H new ATOM 0 HD11 ILE A 31 26.529 10.893 8.355 1.00 11.10 H new ATOM 0 HD12 ILE A 31 26.829 9.384 9.250 1.00 11.10 H new ATOM 0 HD13 ILE A 31 25.301 9.605 8.365 1.00 11.10 H new ATOM 489 N SER A 32 21.751 8.492 11.573 1.00 2.11 N ATOM 490 CA SER A 32 20.850 7.799 12.487 1.00 41.34 C ATOM 491 C SER A 32 20.296 6.531 11.845 1.00 23.43 C ATOM 492 O SER A 32 19.937 5.578 12.538 1.00 54.14 O ATOM 493 CB SER A 32 19.700 8.720 12.898 1.00 11.32 C ATOM 494 OG SER A 32 20.137 10.063 13.011 1.00 4.42 O ATOM 0 H SER A 32 21.388 9.374 11.211 1.00 2.11 H new ATOM 0 HA SER A 32 21.417 7.519 13.375 1.00 41.34 H new ATOM 0 HB2 SER A 32 18.898 8.656 12.162 1.00 11.32 H new ATOM 0 HB3 SER A 32 19.286 8.388 13.850 1.00 11.32 H new ATOM 0 HG SER A 32 19.383 10.631 13.273 1.00 4.42 H new ATOM 500 N ARG A 33 20.231 6.526 10.518 1.00 52.10 N ATOM 501 CA ARG A 33 19.720 5.376 9.782 1.00 31.11 C ATOM 502 C ARG A 33 20.858 4.448 9.365 1.00 55.52 C ATOM 503 O ARG A 33 20.699 3.618 8.471 1.00 32.34 O ATOM 504 CB ARG A 33 18.945 5.837 8.547 1.00 54.43 C ATOM 505 CG ARG A 33 18.059 7.047 8.800 1.00 62.42 C ATOM 506 CD ARG A 33 16.667 6.848 8.221 1.00 11.33 C ATOM 507 NE ARG A 33 15.946 5.767 8.888 1.00 11.41 N ATOM 508 CZ ARG A 33 14.623 5.652 8.879 1.00 34.52 C ATOM 509 NH1 ARG A 33 13.880 6.545 8.241 1.00 51.31 N ATOM 510 NH2 ARG A 33 14.040 4.640 9.509 1.00 33.42 N ATOM 0 H ARG A 33 20.526 7.306 9.930 1.00 52.10 H new ATOM 0 HA ARG A 33 19.047 4.825 10.440 1.00 31.11 H new ATOM 0 HB2 ARG A 33 19.652 6.075 7.753 1.00 54.43 H new ATOM 0 HB3 ARG A 33 18.327 5.014 8.188 1.00 54.43 H new ATOM 0 HG2 ARG A 33 17.986 7.228 9.872 1.00 62.42 H new ATOM 0 HG3 ARG A 33 18.515 7.933 8.358 1.00 62.42 H new ATOM 0 HD2 ARG A 33 16.100 7.774 8.315 1.00 11.33 H new ATOM 0 HD3 ARG A 33 16.745 6.629 7.156 1.00 11.33 H new ATOM 0 HE ARG A 33 16.488 5.062 9.388 1.00 11.41 H new ATOM 0 HH11 ARG A 33 14.324 7.324 7.755 1.00 51.31 H new ATOM 0 HH12 ARG A 33 12.864 6.453 8.236 1.00 51.31 H new ATOM 0 HH21 ARG A 33 14.608 3.950 10.001 1.00 33.42 H new ATOM 0 HH22 ARG A 33 13.024 4.552 9.502 1.00 33.42 H new ATOM 524 N GLY A 34 22.006 4.598 10.018 1.00 31.53 N ATOM 525 CA GLY A 34 23.153 3.768 9.701 1.00 62.53 C ATOM 526 C GLY A 34 23.745 4.091 8.343 1.00 11.12 C ATOM 527 O GLY A 34 24.444 3.269 7.751 1.00 14.03 O ATOM 0 H GLY A 34 22.162 5.279 10.761 1.00 31.53 H new ATOM 0 HA2 GLY A 34 23.916 3.901 10.468 1.00 62.53 H new ATOM 0 HA3 GLY A 34 22.856 2.719 9.725 1.00 62.53 H new ATOM 531 N ALA A 35 23.463 5.292 7.848 1.00 64.33 N ATOM 532 CA ALA A 35 23.973 5.722 6.552 1.00 60.14 C ATOM 533 C ALA A 35 25.454 6.076 6.634 1.00 61.41 C ATOM 534 O ALA A 35 26.032 6.124 7.721 1.00 51.13 O ATOM 535 CB ALA A 35 23.173 6.909 6.037 1.00 14.34 C ATOM 0 H ALA A 35 22.885 5.984 8.325 1.00 64.33 H new ATOM 0 HA ALA A 35 23.863 4.893 5.853 1.00 60.14 H new ATOM 0 HB1 ALA A 35 23.565 7.219 5.068 1.00 14.34 H new ATOM 0 HB2 ALA A 35 22.126 6.624 5.930 1.00 14.34 H new ATOM 0 HB3 ALA A 35 23.253 7.736 6.743 1.00 14.34 H new ATOM 541 N LEU A 36 26.064 6.321 5.480 1.00 52.25 N ATOM 542 CA LEU A 36 27.479 6.670 5.421 1.00 41.11 C ATOM 543 C LEU A 36 27.671 8.076 4.862 1.00 55.32 C ATOM 544 O LEU A 36 28.690 8.719 5.108 1.00 0.22 O ATOM 545 CB LEU A 36 28.239 5.659 4.560 1.00 14.02 C ATOM 546 CG LEU A 36 29.753 5.852 4.477 1.00 41.22 C ATOM 547 CD1 LEU A 36 30.102 6.891 3.422 1.00 35.20 C ATOM 548 CD2 LEU A 36 30.315 6.257 5.832 1.00 34.41 C ATOM 0 H LEU A 36 25.601 6.284 4.572 1.00 52.25 H new ATOM 0 HA LEU A 36 27.876 6.645 6.436 1.00 41.11 H new ATOM 0 HB2 LEU A 36 28.041 4.660 4.948 1.00 14.02 H new ATOM 0 HB3 LEU A 36 27.832 5.695 3.549 1.00 14.02 H new ATOM 0 HG LEU A 36 30.205 4.903 4.187 1.00 41.22 H new ATOM 0 HD11 LEU A 36 31.184 7.015 3.377 1.00 35.20 H new ATOM 0 HD12 LEU A 36 29.734 6.561 2.451 1.00 35.20 H new ATOM 0 HD13 LEU A 36 29.638 7.843 3.681 1.00 35.20 H new ATOM 0 HD21 LEU A 36 31.394 6.390 5.753 1.00 34.41 H new ATOM 0 HD22 LEU A 36 29.856 7.193 6.151 1.00 34.41 H new ATOM 0 HD23 LEU A 36 30.098 5.479 6.563 1.00 34.41 H new ATOM 560 N ASN A 37 26.682 8.548 4.110 1.00 54.24 N ATOM 561 CA ASN A 37 26.741 9.879 3.517 1.00 55.51 C ATOM 562 C ASN A 37 27.828 9.952 2.450 1.00 43.05 C ATOM 563 O ASN A 37 28.970 9.556 2.684 1.00 1.34 O ATOM 564 CB ASN A 37 27.000 10.931 4.598 1.00 61.32 C ATOM 565 CG ASN A 37 26.511 12.308 4.194 1.00 40.20 C ATOM 566 OD1 ASN A 37 25.312 12.585 4.217 1.00 75.54 O ATOM 567 ND2 ASN A 37 27.441 13.180 3.821 1.00 13.24 N ATOM 0 H ASN A 37 25.830 8.029 3.897 1.00 54.24 H new ATOM 0 HA ASN A 37 25.780 10.082 3.045 1.00 55.51 H new ATOM 0 HB2 ASN A 37 26.505 10.629 5.521 1.00 61.32 H new ATOM 0 HB3 ASN A 37 28.068 10.975 4.809 1.00 61.32 H new ATOM 0 HD21 ASN A 37 27.172 14.123 3.538 1.00 13.24 H new ATOM 0 HD22 ASN A 37 28.424 12.907 3.817 1.00 13.24 H new ATOM 574 N ASP A 38 27.466 10.461 1.277 1.00 32.41 N ATOM 575 CA ASP A 38 28.411 10.587 0.174 1.00 53.15 C ATOM 576 C ASP A 38 28.900 9.216 -0.283 1.00 12.21 C ATOM 577 O ASP A 38 30.054 9.059 -0.681 1.00 60.12 O ATOM 578 CB ASP A 38 29.600 11.454 0.589 1.00 10.32 C ATOM 579 CG ASP A 38 29.193 12.597 1.499 1.00 65.11 C ATOM 580 OD1 ASP A 38 28.200 13.284 1.181 1.00 43.40 O ATOM 581 OD2 ASP A 38 29.868 12.803 2.529 1.00 11.13 O ATOM 0 H ASP A 38 26.525 10.793 1.066 1.00 32.41 H new ATOM 0 HA ASP A 38 27.896 11.065 -0.659 1.00 53.15 H new ATOM 0 HB2 ASP A 38 30.338 10.834 1.097 1.00 10.32 H new ATOM 0 HB3 ASP A 38 30.081 11.857 -0.302 1.00 10.32 H new ATOM 586 N ASP A 39 28.015 8.227 -0.221 1.00 52.41 N ATOM 587 CA ASP A 39 28.356 6.869 -0.628 1.00 2.20 C ATOM 588 C ASP A 39 27.219 6.239 -1.426 1.00 31.12 C ATOM 589 O ASP A 39 27.453 5.464 -2.354 1.00 34.51 O ATOM 590 CB ASP A 39 28.673 6.011 0.598 1.00 54.01 C ATOM 591 CG ASP A 39 28.601 4.526 0.299 1.00 1.43 C ATOM 592 OD1 ASP A 39 29.109 4.110 -0.763 1.00 12.12 O ATOM 593 OD2 ASP A 39 28.037 3.781 1.127 1.00 33.24 O ATOM 0 H ASP A 39 27.056 8.340 0.107 1.00 52.41 H new ATOM 0 HA ASP A 39 29.239 6.918 -1.265 1.00 2.20 H new ATOM 0 HB2 ASP A 39 29.670 6.257 0.962 1.00 54.01 H new ATOM 0 HB3 ASP A 39 27.973 6.252 1.398 1.00 54.01 H new ATOM 598 N LEU A 40 25.988 6.576 -1.058 1.00 33.41 N ATOM 599 CA LEU A 40 24.813 6.042 -1.738 1.00 71.05 C ATOM 600 C LEU A 40 24.987 6.101 -3.253 1.00 23.53 C ATOM 601 O LEU A 40 25.288 7.155 -3.813 1.00 31.24 O ATOM 602 CB LEU A 40 23.563 6.822 -1.327 1.00 73.31 C ATOM 603 CG LEU A 40 22.861 6.343 -0.056 1.00 30.42 C ATOM 604 CD1 LEU A 40 23.860 6.192 1.081 1.00 51.11 C ATOM 605 CD2 LEU A 40 21.748 7.304 0.334 1.00 51.44 C ATOM 0 H LEU A 40 25.777 7.216 -0.293 1.00 33.41 H new ATOM 0 HA LEU A 40 24.696 4.999 -1.444 1.00 71.05 H new ATOM 0 HB2 LEU A 40 23.839 7.868 -1.193 1.00 73.31 H new ATOM 0 HB3 LEU A 40 22.848 6.784 -2.149 1.00 73.31 H new ATOM 0 HG LEU A 40 22.418 5.367 -0.255 1.00 30.42 H new ATOM 0 HD11 LEU A 40 23.342 5.850 1.977 1.00 51.11 H new ATOM 0 HD12 LEU A 40 24.621 5.464 0.802 1.00 51.11 H new ATOM 0 HD13 LEU A 40 24.333 7.154 1.280 1.00 51.11 H new ATOM 0 HD21 LEU A 40 21.260 6.947 1.241 1.00 51.44 H new ATOM 0 HD22 LEU A 40 22.168 8.294 0.514 1.00 51.44 H new ATOM 0 HD23 LEU A 40 21.017 7.361 -0.473 1.00 51.44 H new ATOM 617 N SER A 41 24.795 4.961 -3.910 1.00 14.41 N ATOM 618 CA SER A 41 24.932 4.883 -5.359 1.00 61.55 C ATOM 619 C SER A 41 23.654 4.347 -5.998 1.00 41.41 C ATOM 620 O SER A 41 23.568 4.207 -7.218 1.00 23.10 O ATOM 621 CB SER A 41 26.116 3.988 -5.733 1.00 34.33 C ATOM 622 OG SER A 41 26.818 4.509 -6.848 1.00 14.43 O ATOM 0 H SER A 41 24.544 4.080 -3.462 1.00 14.41 H new ATOM 0 HA SER A 41 25.112 5.890 -5.737 1.00 61.55 H new ATOM 0 HB2 SER A 41 26.792 3.900 -4.883 1.00 34.33 H new ATOM 0 HB3 SER A 41 25.759 2.984 -5.961 1.00 34.33 H new ATOM 0 HG SER A 41 27.721 4.128 -6.873 1.00 14.43 H new ATOM 628 N SER A 42 22.663 4.050 -5.164 1.00 13.31 N ATOM 629 CA SER A 42 21.390 3.527 -5.645 1.00 73.23 C ATOM 630 C SER A 42 20.232 4.054 -4.803 1.00 41.41 C ATOM 631 O SER A 42 20.416 4.447 -3.651 1.00 64.24 O ATOM 632 CB SER A 42 21.400 1.997 -5.617 1.00 52.24 C ATOM 633 OG SER A 42 21.998 1.470 -6.789 1.00 20.22 O ATOM 0 H SER A 42 22.717 4.163 -4.152 1.00 13.31 H new ATOM 0 HA SER A 42 21.252 3.864 -6.672 1.00 73.23 H new ATOM 0 HB2 SER A 42 21.945 1.650 -4.739 1.00 52.24 H new ATOM 0 HB3 SER A 42 20.379 1.625 -5.527 1.00 52.24 H new ATOM 0 HG SER A 42 21.412 0.786 -7.176 1.00 20.22 H new ATOM 639 N ALA A 43 19.038 4.060 -5.387 1.00 43.42 N ATOM 640 CA ALA A 43 17.850 4.537 -4.691 1.00 53.43 C ATOM 641 C ALA A 43 16.580 3.988 -5.333 1.00 42.22 C ATOM 642 O ALA A 43 16.232 4.356 -6.455 1.00 71.34 O ATOM 643 CB ALA A 43 17.821 6.059 -4.678 1.00 20.45 C ATOM 0 H ALA A 43 18.868 3.740 -6.340 1.00 43.42 H new ATOM 0 HA ALA A 43 17.892 4.176 -3.663 1.00 53.43 H new ATOM 0 HB1 ALA A 43 16.928 6.401 -4.155 1.00 20.45 H new ATOM 0 HB2 ALA A 43 18.707 6.435 -4.168 1.00 20.45 H new ATOM 0 HB3 ALA A 43 17.807 6.431 -5.702 1.00 20.45 H new ATOM 649 N ARG A 44 15.893 3.106 -4.615 1.00 2.13 N ATOM 650 CA ARG A 44 14.663 2.505 -5.116 1.00 22.12 C ATOM 651 C ARG A 44 13.478 3.445 -4.917 1.00 42.51 C ATOM 652 O ARG A 44 13.011 3.644 -3.796 1.00 1.35 O ATOM 653 CB ARG A 44 14.396 1.175 -4.409 1.00 61.54 C ATOM 654 CG ARG A 44 13.476 0.247 -5.186 1.00 31.22 C ATOM 655 CD ARG A 44 12.153 0.041 -4.464 1.00 4.54 C ATOM 656 NE ARG A 44 11.305 -0.934 -5.143 1.00 14.23 N ATOM 657 CZ ARG A 44 10.103 -1.293 -4.705 1.00 53.34 C ATOM 658 NH1 ARG A 44 9.611 -0.759 -3.596 1.00 32.22 N ATOM 659 NH2 ARG A 44 9.390 -2.187 -5.379 1.00 1.22 N ATOM 0 H ARG A 44 16.167 2.792 -3.684 1.00 2.13 H new ATOM 0 HA ARG A 44 14.786 2.324 -6.184 1.00 22.12 H new ATOM 0 HB2 ARG A 44 15.345 0.669 -4.234 1.00 61.54 H new ATOM 0 HB3 ARG A 44 13.956 1.374 -3.432 1.00 61.54 H new ATOM 0 HG2 ARG A 44 13.290 0.663 -6.176 1.00 31.22 H new ATOM 0 HG3 ARG A 44 13.966 -0.716 -5.331 1.00 31.22 H new ATOM 0 HD2 ARG A 44 12.345 -0.293 -3.444 1.00 4.54 H new ATOM 0 HD3 ARG A 44 11.626 0.993 -4.394 1.00 4.54 H new ATOM 0 HE ARG A 44 11.654 -1.363 -6.000 1.00 14.23 H new ATOM 0 HH11 ARG A 44 10.155 -0.071 -3.076 1.00 32.22 H new ATOM 0 HH12 ARG A 44 8.688 -1.037 -3.262 1.00 32.22 H new ATOM 0 HH21 ARG A 44 9.765 -2.599 -6.234 1.00 1.22 H new ATOM 0 HH22 ARG A 44 8.467 -2.462 -5.042 1.00 1.22 H new ATOM 673 N VAL A 45 12.997 4.022 -6.014 1.00 13.44 N ATOM 674 CA VAL A 45 11.866 4.942 -5.960 1.00 61.54 C ATOM 675 C VAL A 45 10.945 4.750 -7.160 1.00 44.24 C ATOM 676 O VAL A 45 11.049 5.446 -8.171 1.00 63.41 O ATOM 677 CB VAL A 45 12.336 6.408 -5.917 1.00 23.45 C ATOM 678 CG1 VAL A 45 13.354 6.675 -7.015 1.00 2.24 C ATOM 679 CG2 VAL A 45 11.149 7.351 -6.037 1.00 42.21 C ATOM 0 H VAL A 45 13.372 3.869 -6.950 1.00 13.44 H new ATOM 0 HA VAL A 45 11.318 4.717 -5.045 1.00 61.54 H new ATOM 0 HB VAL A 45 12.819 6.589 -4.957 1.00 23.45 H new ATOM 0 HG11 VAL A 45 13.674 7.716 -6.969 1.00 2.24 H new ATOM 0 HG12 VAL A 45 14.217 6.023 -6.878 1.00 2.24 H new ATOM 0 HG13 VAL A 45 12.901 6.478 -7.987 1.00 2.24 H new ATOM 0 HG21 VAL A 45 11.499 8.383 -6.005 1.00 42.21 H new ATOM 0 HG22 VAL A 45 10.636 7.171 -6.982 1.00 42.21 H new ATOM 0 HG23 VAL A 45 10.460 7.176 -5.211 1.00 42.21 H new ATOM 689 N PRO A 46 10.021 3.785 -7.049 1.00 31.12 N ATOM 690 CA PRO A 46 9.062 3.480 -8.115 1.00 63.11 C ATOM 691 C PRO A 46 8.028 4.585 -8.298 1.00 52.12 C ATOM 692 O PRO A 46 7.963 5.525 -7.506 1.00 43.44 O ATOM 693 CB PRO A 46 8.390 2.193 -7.630 1.00 51.11 C ATOM 694 CG PRO A 46 8.533 2.227 -6.148 1.00 34.34 C ATOM 695 CD PRO A 46 9.840 2.917 -5.873 1.00 12.21 C ATOM 0 HA PRO A 46 9.549 3.383 -9.086 1.00 63.11 H new ATOM 0 HB2 PRO A 46 7.342 2.158 -7.926 1.00 51.11 H new ATOM 0 HB3 PRO A 46 8.871 1.311 -8.054 1.00 51.11 H new ATOM 0 HG2 PRO A 46 7.704 2.765 -5.688 1.00 34.34 H new ATOM 0 HG3 PRO A 46 8.529 1.219 -5.732 1.00 34.34 H new ATOM 0 HD2 PRO A 46 9.803 3.494 -4.949 1.00 12.21 H new ATOM 0 HD3 PRO A 46 10.658 2.203 -5.771 1.00 12.21 H new ATOM 703 N SER A 47 7.220 4.465 -9.347 1.00 12.22 N ATOM 704 CA SER A 47 6.190 5.456 -9.635 1.00 51.45 C ATOM 705 C SER A 47 5.333 5.725 -8.402 1.00 21.31 C ATOM 706 O SER A 47 4.899 4.797 -7.720 1.00 40.21 O ATOM 707 CB SER A 47 5.306 4.983 -10.791 1.00 62.01 C ATOM 708 OG SER A 47 5.951 5.176 -12.038 1.00 71.22 O ATOM 0 H SER A 47 7.259 3.692 -10.011 1.00 12.22 H new ATOM 0 HA SER A 47 6.685 6.384 -9.921 1.00 51.45 H new ATOM 0 HB2 SER A 47 5.066 3.928 -10.661 1.00 62.01 H new ATOM 0 HB3 SER A 47 4.362 5.528 -10.778 1.00 62.01 H new ATOM 0 HG SER A 47 5.367 4.864 -12.760 1.00 71.22 H new ATOM 714 N GLY A 48 5.094 7.002 -8.122 1.00 12.34 N ATOM 715 CA GLY A 48 4.290 7.371 -6.971 1.00 3.32 C ATOM 716 C GLY A 48 5.133 7.843 -5.803 1.00 1.14 C ATOM 717 O GLY A 48 4.783 7.617 -4.643 1.00 62.34 O ATOM 0 H GLY A 48 5.442 7.788 -8.671 1.00 12.34 H new ATOM 0 HA2 GLY A 48 3.594 8.160 -7.256 1.00 3.32 H new ATOM 0 HA3 GLY A 48 3.691 6.515 -6.660 1.00 3.32 H new ATOM 721 N LEU A 49 6.248 8.499 -6.106 1.00 54.21 N ATOM 722 CA LEU A 49 7.145 9.003 -5.072 1.00 14.11 C ATOM 723 C LEU A 49 8.197 9.931 -5.669 1.00 44.21 C ATOM 724 O LEU A 49 8.818 9.611 -6.683 1.00 52.22 O ATOM 725 CB LEU A 49 7.825 7.840 -4.348 1.00 62.24 C ATOM 726 CG LEU A 49 8.248 8.104 -2.903 1.00 33.53 C ATOM 727 CD1 LEU A 49 8.331 6.800 -2.125 1.00 23.54 C ATOM 728 CD2 LEU A 49 9.580 8.838 -2.862 1.00 21.51 C ATOM 0 H LEU A 49 6.552 8.694 -7.060 1.00 54.21 H new ATOM 0 HA LEU A 49 6.551 9.571 -4.356 1.00 14.11 H new ATOM 0 HB2 LEU A 49 7.147 6.987 -4.357 1.00 62.24 H new ATOM 0 HB3 LEU A 49 8.709 7.551 -4.917 1.00 62.24 H new ATOM 0 HG LEU A 49 7.494 8.736 -2.434 1.00 33.53 H new ATOM 0 HD11 LEU A 49 8.633 7.007 -1.099 1.00 23.54 H new ATOM 0 HD12 LEU A 49 7.355 6.314 -2.125 1.00 23.54 H new ATOM 0 HD13 LEU A 49 9.064 6.143 -2.593 1.00 23.54 H new ATOM 0 HD21 LEU A 49 9.865 9.017 -1.825 1.00 21.51 H new ATOM 0 HD22 LEU A 49 10.344 8.232 -3.349 1.00 21.51 H new ATOM 0 HD23 LEU A 49 9.486 9.791 -3.382 1.00 21.51 H new ATOM 740 N ARG A 50 8.395 11.081 -5.032 1.00 70.13 N ATOM 741 CA ARG A 50 9.374 12.055 -5.500 1.00 54.01 C ATOM 742 C ARG A 50 10.414 12.341 -4.421 1.00 41.44 C ATOM 743 O ARG A 50 10.072 12.589 -3.264 1.00 64.31 O ATOM 744 CB ARG A 50 8.677 13.354 -5.909 1.00 74.11 C ATOM 745 CG ARG A 50 9.617 14.388 -6.505 1.00 42.33 C ATOM 746 CD ARG A 50 8.864 15.627 -6.964 1.00 2.30 C ATOM 747 NE ARG A 50 9.743 16.589 -7.625 1.00 30.53 N ATOM 748 CZ ARG A 50 9.353 17.801 -8.004 1.00 25.35 C ATOM 749 NH1 ARG A 50 8.107 18.198 -7.788 1.00 21.24 N ATOM 750 NH2 ARG A 50 10.212 18.619 -8.599 1.00 72.33 N ATOM 0 H ARG A 50 7.891 11.361 -4.191 1.00 70.13 H new ATOM 0 HA ARG A 50 9.882 11.635 -6.368 1.00 54.01 H new ATOM 0 HB2 ARG A 50 7.896 13.125 -6.634 1.00 74.11 H new ATOM 0 HB3 ARG A 50 8.185 13.783 -5.036 1.00 74.11 H new ATOM 0 HG2 ARG A 50 10.366 14.670 -5.765 1.00 42.33 H new ATOM 0 HG3 ARG A 50 10.151 13.952 -7.349 1.00 42.33 H new ATOM 0 HD2 ARG A 50 8.067 15.334 -7.648 1.00 2.30 H new ATOM 0 HD3 ARG A 50 8.389 16.101 -6.105 1.00 2.30 H new ATOM 0 HE ARG A 50 10.709 16.315 -7.805 1.00 30.53 H new ATOM 0 HH11 ARG A 50 7.445 17.572 -7.330 1.00 21.24 H new ATOM 0 HH12 ARG A 50 7.811 19.129 -8.080 1.00 21.24 H new ATOM 0 HH21 ARG A 50 11.172 18.317 -8.765 1.00 72.33 H new ATOM 0 HH22 ARG A 50 9.912 19.550 -8.890 1.00 72.33 H new ATOM 764 N LEU A 51 11.685 12.306 -4.808 1.00 35.20 N ATOM 765 CA LEU A 51 12.776 12.561 -3.874 1.00 71.02 C ATOM 766 C LEU A 51 13.818 13.485 -4.495 1.00 5.44 C ATOM 767 O LEU A 51 13.943 13.564 -5.716 1.00 53.33 O ATOM 768 CB LEU A 51 13.431 11.245 -3.453 1.00 21.52 C ATOM 769 CG LEU A 51 14.212 10.505 -4.540 1.00 11.30 C ATOM 770 CD1 LEU A 51 15.649 10.272 -4.100 1.00 40.43 C ATOM 771 CD2 LEU A 51 13.535 9.185 -4.878 1.00 62.13 C ATOM 0 H LEU A 51 11.985 12.104 -5.762 1.00 35.20 H new ATOM 0 HA LEU A 51 12.361 13.051 -2.993 1.00 71.02 H new ATOM 0 HB2 LEU A 51 14.107 11.448 -2.623 1.00 21.52 H new ATOM 0 HB3 LEU A 51 12.654 10.580 -3.076 1.00 21.52 H new ATOM 0 HG LEU A 51 14.224 11.124 -5.437 1.00 11.30 H new ATOM 0 HD11 LEU A 51 16.189 9.744 -4.886 1.00 40.43 H new ATOM 0 HD12 LEU A 51 16.131 11.231 -3.909 1.00 40.43 H new ATOM 0 HD13 LEU A 51 15.658 9.674 -3.189 1.00 40.43 H new ATOM 0 HD21 LEU A 51 14.104 8.672 -5.653 1.00 62.13 H new ATOM 0 HD22 LEU A 51 13.491 8.560 -3.986 1.00 62.13 H new ATOM 0 HD23 LEU A 51 12.524 9.376 -5.237 1.00 62.13 H new ATOM 783 N GLU A 52 14.566 14.181 -3.644 1.00 4.12 N ATOM 784 CA GLU A 52 15.599 15.099 -4.110 1.00 24.23 C ATOM 785 C GLU A 52 16.934 14.807 -3.429 1.00 73.12 C ATOM 786 O GLU A 52 16.976 14.230 -2.343 1.00 21.33 O ATOM 787 CB GLU A 52 15.184 16.547 -3.843 1.00 2.14 C ATOM 788 CG GLU A 52 13.844 16.919 -4.454 1.00 71.22 C ATOM 789 CD GLU A 52 13.606 18.416 -4.472 1.00 41.35 C ATOM 790 OE1 GLU A 52 14.340 19.143 -3.770 1.00 71.34 O ATOM 791 OE2 GLU A 52 12.686 18.861 -5.190 1.00 14.43 O ATOM 0 H GLU A 52 14.476 14.127 -2.629 1.00 4.12 H new ATOM 0 HA GLU A 52 15.719 14.955 -5.184 1.00 24.23 H new ATOM 0 HB2 GLU A 52 15.141 16.711 -2.766 1.00 2.14 H new ATOM 0 HB3 GLU A 52 15.951 17.214 -4.236 1.00 2.14 H new ATOM 0 HG2 GLU A 52 13.794 16.535 -5.473 1.00 71.22 H new ATOM 0 HG3 GLU A 52 13.046 16.435 -3.892 1.00 71.22 H new ATOM 798 N VAL A 53 18.022 15.210 -4.077 1.00 63.31 N ATOM 799 CA VAL A 53 19.358 14.992 -3.536 1.00 5.55 C ATOM 800 C VAL A 53 20.063 16.317 -3.264 1.00 22.34 C ATOM 801 O VAL A 53 20.077 17.210 -4.110 1.00 43.25 O ATOM 802 CB VAL A 53 20.222 14.151 -4.494 1.00 4.14 C ATOM 803 CG1 VAL A 53 21.587 13.875 -3.880 1.00 15.12 C ATOM 804 CG2 VAL A 53 19.515 12.852 -4.847 1.00 34.45 C ATOM 0 H VAL A 53 18.004 15.689 -4.977 1.00 63.31 H new ATOM 0 HA VAL A 53 19.235 14.449 -2.599 1.00 5.55 H new ATOM 0 HB VAL A 53 20.372 14.718 -5.413 1.00 4.14 H new ATOM 0 HG11 VAL A 53 22.183 13.280 -4.571 1.00 15.12 H new ATOM 0 HG12 VAL A 53 22.095 14.819 -3.683 1.00 15.12 H new ATOM 0 HG13 VAL A 53 21.462 13.328 -2.945 1.00 15.12 H new ATOM 0 HG21 VAL A 53 20.140 12.270 -5.525 1.00 34.45 H new ATOM 0 HG22 VAL A 53 19.333 12.278 -3.938 1.00 34.45 H new ATOM 0 HG23 VAL A 53 18.564 13.075 -5.331 1.00 34.45 H new ATOM 814 N PHE A 54 20.648 16.436 -2.076 1.00 40.53 N ATOM 815 CA PHE A 54 21.355 17.652 -1.692 1.00 1.45 C ATOM 816 C PHE A 54 22.771 17.332 -1.221 1.00 12.54 C ATOM 817 O PHE A 54 22.972 16.872 -0.097 1.00 44.03 O ATOM 818 CB PHE A 54 20.591 18.384 -0.586 1.00 71.01 C ATOM 819 CG PHE A 54 19.134 18.581 -0.894 1.00 20.12 C ATOM 820 CD1 PHE A 54 18.737 19.182 -2.078 1.00 24.34 C ATOM 821 CD2 PHE A 54 18.161 18.166 0.001 1.00 21.31 C ATOM 822 CE1 PHE A 54 17.398 19.364 -2.364 1.00 54.11 C ATOM 823 CE2 PHE A 54 16.820 18.345 -0.280 1.00 51.01 C ATOM 824 CZ PHE A 54 16.438 18.946 -1.464 1.00 14.15 C ATOM 0 H PHE A 54 20.646 15.706 -1.364 1.00 40.53 H new ATOM 0 HA PHE A 54 21.419 18.297 -2.568 1.00 1.45 H new ATOM 0 HB2 PHE A 54 20.685 17.822 0.343 1.00 71.01 H new ATOM 0 HB3 PHE A 54 21.054 19.357 -0.418 1.00 71.01 H new ATOM 0 HD1 PHE A 54 19.483 19.512 -2.785 1.00 24.34 H new ATOM 0 HD2 PHE A 54 18.454 17.697 0.929 1.00 21.31 H new ATOM 0 HE1 PHE A 54 17.102 19.833 -3.291 1.00 54.11 H new ATOM 0 HE2 PHE A 54 16.071 18.015 0.425 1.00 51.01 H new ATOM 0 HZ PHE A 54 15.391 19.089 -1.685 1.00 14.15 H new ATOM 834 N GLN A 55 23.747 17.580 -2.088 1.00 74.44 N ATOM 835 CA GLN A 55 25.143 17.317 -1.762 1.00 62.30 C ATOM 836 C GLN A 55 25.514 17.937 -0.419 1.00 65.01 C ATOM 837 O GLN A 55 26.268 17.352 0.359 1.00 4.14 O ATOM 838 CB GLN A 55 26.057 17.864 -2.860 1.00 22.51 C ATOM 839 CG GLN A 55 27.532 17.844 -2.490 1.00 35.00 C ATOM 840 CD GLN A 55 27.992 19.144 -1.860 1.00 64.41 C ATOM 841 OE1 GLN A 55 28.020 20.188 -2.512 1.00 73.44 O ATOM 842 NE2 GLN A 55 28.358 19.087 -0.585 1.00 31.22 N ATOM 0 H GLN A 55 23.597 17.963 -3.021 1.00 74.44 H new ATOM 0 HA GLN A 55 25.277 16.237 -1.693 1.00 62.30 H new ATOM 0 HB2 GLN A 55 25.911 17.279 -3.768 1.00 22.51 H new ATOM 0 HB3 GLN A 55 25.762 18.888 -3.090 1.00 22.51 H new ATOM 0 HG2 GLN A 55 27.718 17.023 -1.798 1.00 35.00 H new ATOM 0 HG3 GLN A 55 28.124 17.648 -3.384 1.00 35.00 H new ATOM 0 HE21 GLN A 55 28.319 18.200 -0.082 1.00 31.22 H new ATOM 0 HE22 GLN A 55 28.678 19.930 -0.108 1.00 31.22 H new ATOM 851 N HIS A 56 24.981 19.125 -0.154 1.00 14.12 N ATOM 852 CA HIS A 56 25.256 19.825 1.096 1.00 51.01 C ATOM 853 C HIS A 56 24.009 19.882 1.973 1.00 31.51 C ATOM 854 O HIS A 56 22.910 19.554 1.528 1.00 51.44 O ATOM 855 CB HIS A 56 25.759 21.241 0.812 1.00 34.20 C ATOM 856 CG HIS A 56 26.694 21.765 1.858 1.00 40.24 C ATOM 857 ND1 HIS A 56 26.898 23.111 2.078 1.00 10.02 N ATOM 858 CD2 HIS A 56 27.482 21.116 2.747 1.00 55.12 C ATOM 859 CE1 HIS A 56 27.772 23.267 3.057 1.00 53.03 C ATOM 860 NE2 HIS A 56 28.141 22.072 3.480 1.00 20.40 N ATOM 0 H HIS A 56 24.356 19.623 -0.788 1.00 14.12 H new ATOM 0 HA HIS A 56 26.029 19.273 1.630 1.00 51.01 H new ATOM 0 HB2 HIS A 56 26.265 21.251 -0.154 1.00 34.20 H new ATOM 0 HB3 HIS A 56 24.904 21.912 0.731 1.00 34.20 H new ATOM 0 HD2 HIS A 56 27.575 20.046 2.859 1.00 55.12 H new ATOM 0 HE1 HIS A 56 28.124 24.211 3.445 1.00 53.03 H new ATOM 0 HE2 HIS A 56 28.808 21.889 4.230 1.00 20.40 H new ATOM 868 N ASN A 57 24.188 20.298 3.222 1.00 4.14 N ATOM 869 CA ASN A 57 23.078 20.396 4.162 1.00 13.05 C ATOM 870 C ASN A 57 22.646 21.848 4.346 1.00 63.15 C ATOM 871 O ASN A 57 22.101 22.218 5.385 1.00 64.34 O ATOM 872 CB ASN A 57 23.471 19.795 5.513 1.00 21.04 C ATOM 873 CG ASN A 57 24.879 20.177 5.928 1.00 12.33 C ATOM 874 OD1 ASN A 57 25.853 19.554 5.507 1.00 60.32 O ATOM 875 ND2 ASN A 57 24.991 21.207 6.759 1.00 4.10 N ATOM 0 H ASN A 57 25.092 20.573 3.607 1.00 4.14 H new ATOM 0 HA ASN A 57 22.238 19.835 3.752 1.00 13.05 H new ATOM 0 HB2 ASN A 57 22.767 20.130 6.275 1.00 21.04 H new ATOM 0 HB3 ASN A 57 23.392 18.709 5.461 1.00 21.04 H new ATOM 0 HD21 ASN A 57 25.913 21.511 7.074 1.00 4.10 H new ATOM 0 HD22 ASN A 57 24.155 21.694 7.083 1.00 4.10 H new ATOM 882 N ASN A 58 22.894 22.666 3.328 1.00 70.13 N ATOM 883 CA ASN A 58 22.531 24.078 3.376 1.00 62.31 C ATOM 884 C ASN A 58 21.923 24.529 2.051 1.00 22.33 C ATOM 885 O ASN A 58 21.792 25.725 1.791 1.00 31.05 O ATOM 886 CB ASN A 58 23.759 24.930 3.703 1.00 51.21 C ATOM 887 CG ASN A 58 23.386 26.314 4.199 1.00 43.25 C ATOM 888 OD1 ASN A 58 23.816 27.323 3.639 1.00 64.23 O ATOM 889 ND2 ASN A 58 22.583 26.368 5.254 1.00 34.13 N ATOM 0 H ASN A 58 23.345 22.376 2.460 1.00 70.13 H new ATOM 0 HA ASN A 58 21.786 24.210 4.160 1.00 62.31 H new ATOM 0 HB2 ASN A 58 24.358 24.424 4.461 1.00 51.21 H new ATOM 0 HB3 ASN A 58 24.382 25.021 2.813 1.00 51.21 H new ATOM 0 HD21 ASN A 58 22.298 27.271 5.632 1.00 34.13 H new ATOM 0 HD22 ASN A 58 22.251 25.506 5.687 1.00 34.13 H new ATOM 896 N PHE A 59 21.553 23.563 1.217 1.00 21.31 N ATOM 897 CA PHE A 59 20.959 23.860 -0.081 1.00 60.31 C ATOM 898 C PHE A 59 21.820 24.850 -0.860 1.00 25.33 C ATOM 899 O PHE A 59 21.311 25.652 -1.642 1.00 44.51 O ATOM 900 CB PHE A 59 19.548 24.424 0.097 1.00 1.31 C ATOM 901 CG PHE A 59 18.496 23.366 0.264 1.00 34.23 C ATOM 902 CD1 PHE A 59 18.634 22.379 1.227 1.00 72.32 C ATOM 903 CD2 PHE A 59 17.368 23.358 -0.541 1.00 11.24 C ATOM 904 CE1 PHE A 59 17.667 21.403 1.382 1.00 2.21 C ATOM 905 CE2 PHE A 59 16.398 22.385 -0.390 1.00 13.43 C ATOM 906 CZ PHE A 59 16.547 21.407 0.574 1.00 42.22 C ATOM 0 H PHE A 59 21.654 22.568 1.417 1.00 21.31 H new ATOM 0 HA PHE A 59 20.903 22.931 -0.648 1.00 60.31 H new ATOM 0 HB2 PHE A 59 19.535 25.079 0.968 1.00 1.31 H new ATOM 0 HB3 PHE A 59 19.299 25.039 -0.768 1.00 1.31 H new ATOM 0 HD1 PHE A 59 19.507 22.372 1.863 1.00 72.32 H new ATOM 0 HD2 PHE A 59 17.245 24.121 -1.295 1.00 11.24 H new ATOM 0 HE1 PHE A 59 17.787 20.638 2.135 1.00 2.21 H new ATOM 0 HE2 PHE A 59 15.524 22.389 -1.025 1.00 13.43 H new ATOM 0 HZ PHE A 59 15.789 20.647 0.696 1.00 42.22 H new ATOM 916 N LYS A 60 23.129 24.787 -0.639 1.00 62.12 N ATOM 917 CA LYS A 60 24.064 25.676 -1.319 1.00 72.11 C ATOM 918 C LYS A 60 24.474 25.103 -2.672 1.00 32.52 C ATOM 919 O LYS A 60 24.363 25.770 -3.699 1.00 44.32 O ATOM 920 CB LYS A 60 25.304 25.904 -0.453 1.00 5.31 C ATOM 921 CG LYS A 60 26.401 26.685 -1.155 1.00 44.44 C ATOM 922 CD LYS A 60 27.404 25.760 -1.824 1.00 2.10 C ATOM 923 CE LYS A 60 28.834 26.213 -1.572 1.00 23.41 C ATOM 924 NZ LYS A 60 29.283 25.889 -0.189 1.00 71.12 N ATOM 0 H LYS A 60 23.567 24.129 0.006 1.00 62.12 H new ATOM 0 HA LYS A 60 23.564 26.630 -1.485 1.00 72.11 H new ATOM 0 HB2 LYS A 60 25.012 26.437 0.452 1.00 5.31 H new ATOM 0 HB3 LYS A 60 25.701 24.938 -0.140 1.00 5.31 H new ATOM 0 HG2 LYS A 60 25.959 27.344 -1.902 1.00 44.44 H new ATOM 0 HG3 LYS A 60 26.915 27.320 -0.434 1.00 44.44 H new ATOM 0 HD2 LYS A 60 27.271 24.745 -1.449 1.00 2.10 H new ATOM 0 HD3 LYS A 60 27.214 25.731 -2.897 1.00 2.10 H new ATOM 0 HE2 LYS A 60 29.499 25.734 -2.291 1.00 23.41 H new ATOM 0 HE3 LYS A 60 28.909 27.288 -1.736 1.00 23.41 H new ATOM 0 HZ1 LYS A 60 30.262 26.214 -0.057 1.00 71.12 H new ATOM 0 HZ2 LYS A 60 28.664 26.366 0.498 1.00 71.12 H new ATOM 0 HZ3 LYS A 60 29.236 24.861 -0.041 1.00 71.12 H new ATOM 938 N GLY A 61 24.946 23.860 -2.664 1.00 64.33 N ATOM 939 CA GLY A 61 25.364 23.217 -3.897 1.00 2.42 C ATOM 940 C GLY A 61 24.221 23.045 -4.877 1.00 31.41 C ATOM 941 O GLY A 61 23.187 23.703 -4.759 1.00 23.22 O ATOM 0 H GLY A 61 25.046 23.287 -1.826 1.00 64.33 H new ATOM 0 HA2 GLY A 61 26.152 23.809 -4.363 1.00 2.42 H new ATOM 0 HA3 GLY A 61 25.792 22.241 -3.667 1.00 2.42 H new ATOM 945 N VAL A 62 24.406 22.157 -5.849 1.00 41.44 N ATOM 946 CA VAL A 62 23.382 21.900 -6.855 1.00 10.22 C ATOM 947 C VAL A 62 22.392 20.845 -6.374 1.00 25.10 C ATOM 948 O VAL A 62 22.777 19.722 -6.046 1.00 2.42 O ATOM 949 CB VAL A 62 24.005 21.436 -8.185 1.00 22.13 C ATOM 950 CG1 VAL A 62 24.789 22.568 -8.831 1.00 72.24 C ATOM 951 CG2 VAL A 62 24.893 20.221 -7.961 1.00 4.41 C ATOM 0 H VAL A 62 25.255 21.604 -5.961 1.00 41.44 H new ATOM 0 HA VAL A 62 22.856 22.840 -7.018 1.00 10.22 H new ATOM 0 HB VAL A 62 23.201 21.150 -8.863 1.00 22.13 H new ATOM 0 HG11 VAL A 62 25.222 22.222 -9.769 1.00 72.24 H new ATOM 0 HG12 VAL A 62 24.122 23.407 -9.027 1.00 72.24 H new ATOM 0 HG13 VAL A 62 25.586 22.888 -8.160 1.00 72.24 H new ATOM 0 HG21 VAL A 62 25.325 19.906 -8.911 1.00 4.41 H new ATOM 0 HG22 VAL A 62 25.692 20.478 -7.266 1.00 4.41 H new ATOM 0 HG23 VAL A 62 24.298 19.407 -7.546 1.00 4.41 H new ATOM 961 N ARG A 63 21.116 21.213 -6.335 1.00 71.43 N ATOM 962 CA ARG A 63 20.070 20.298 -5.894 1.00 24.52 C ATOM 963 C ARG A 63 19.560 19.453 -7.058 1.00 21.24 C ATOM 964 O ARG A 63 19.263 19.974 -8.133 1.00 3.03 O ATOM 965 CB ARG A 63 18.912 21.077 -5.269 1.00 33.33 C ATOM 966 CG ARG A 63 18.198 21.996 -6.247 1.00 21.34 C ATOM 967 CD ARG A 63 17.067 22.756 -5.572 1.00 41.43 C ATOM 968 NE ARG A 63 16.623 23.897 -6.369 1.00 4.11 N ATOM 969 CZ ARG A 63 15.571 24.646 -6.058 1.00 71.31 C ATOM 970 NH1 ARG A 63 14.858 24.375 -4.973 1.00 43.52 N ATOM 971 NH2 ARG A 63 15.230 25.667 -6.833 1.00 52.30 N ATOM 0 H ARG A 63 20.781 22.138 -6.603 1.00 71.43 H new ATOM 0 HA ARG A 63 20.497 19.632 -5.144 1.00 24.52 H new ATOM 0 HB2 ARG A 63 18.192 20.371 -4.855 1.00 33.33 H new ATOM 0 HB3 ARG A 63 19.291 21.670 -4.437 1.00 33.33 H new ATOM 0 HG2 ARG A 63 18.911 22.703 -6.671 1.00 21.34 H new ATOM 0 HG3 ARG A 63 17.800 21.410 -7.075 1.00 21.34 H new ATOM 0 HD2 ARG A 63 16.227 22.082 -5.404 1.00 41.43 H new ATOM 0 HD3 ARG A 63 17.397 23.104 -4.593 1.00 41.43 H new ATOM 0 HE ARG A 63 17.150 24.131 -7.210 1.00 4.11 H new ATOM 0 HH11 ARG A 63 15.117 23.590 -4.375 1.00 43.52 H new ATOM 0 HH12 ARG A 63 14.051 24.952 -4.736 1.00 43.52 H new ATOM 0 HH21 ARG A 63 15.776 25.878 -7.669 1.00 52.30 H new ATOM 0 HH22 ARG A 63 14.422 26.242 -6.593 1.00 52.30 H new ATOM 985 N ASP A 64 19.461 18.147 -6.835 1.00 65.11 N ATOM 986 CA ASP A 64 18.987 17.230 -7.865 1.00 32.43 C ATOM 987 C ASP A 64 17.560 16.776 -7.572 1.00 71.04 C ATOM 988 O ASP A 64 16.972 17.155 -6.559 1.00 42.02 O ATOM 989 CB ASP A 64 19.912 16.015 -7.962 1.00 15.24 C ATOM 990 CG ASP A 64 20.007 15.472 -9.374 1.00 23.34 C ATOM 991 OD1 ASP A 64 20.313 16.259 -10.293 1.00 42.35 O ATOM 992 OD2 ASP A 64 19.777 14.258 -9.559 1.00 3.52 O ATOM 0 H ASP A 64 19.703 17.700 -5.951 1.00 65.11 H new ATOM 0 HA ASP A 64 18.993 17.758 -8.818 1.00 32.43 H new ATOM 0 HB2 ASP A 64 20.907 16.291 -7.614 1.00 15.24 H new ATOM 0 HB3 ASP A 64 19.548 15.231 -7.298 1.00 15.24 H new ATOM 997 N PHE A 65 17.008 15.963 -8.467 1.00 51.12 N ATOM 998 CA PHE A 65 15.649 15.459 -8.306 1.00 51.35 C ATOM 999 C PHE A 65 15.496 14.090 -8.961 1.00 74.34 C ATOM 1000 O PHE A 65 15.763 13.925 -10.152 1.00 1.31 O ATOM 1001 CB PHE A 65 14.643 16.442 -8.911 1.00 24.41 C ATOM 1002 CG PHE A 65 15.009 16.899 -10.294 1.00 62.31 C ATOM 1003 CD1 PHE A 65 15.853 17.981 -10.480 1.00 4.43 C ATOM 1004 CD2 PHE A 65 14.508 16.246 -11.409 1.00 22.22 C ATOM 1005 CE1 PHE A 65 16.192 18.404 -11.751 1.00 43.52 C ATOM 1006 CE2 PHE A 65 14.844 16.664 -12.683 1.00 31.14 C ATOM 1007 CZ PHE A 65 15.686 17.745 -12.854 1.00 51.31 C ATOM 0 H PHE A 65 17.481 15.639 -9.311 1.00 51.12 H new ATOM 0 HA PHE A 65 15.450 15.356 -7.239 1.00 51.35 H new ATOM 0 HB2 PHE A 65 13.660 15.971 -8.941 1.00 24.41 H new ATOM 0 HB3 PHE A 65 14.560 17.312 -8.259 1.00 24.41 H new ATOM 0 HD1 PHE A 65 16.251 18.501 -9.621 1.00 4.43 H new ATOM 0 HD2 PHE A 65 13.848 15.401 -11.281 1.00 22.22 H new ATOM 0 HE1 PHE A 65 16.852 19.249 -11.882 1.00 43.52 H new ATOM 0 HE2 PHE A 65 14.448 16.146 -13.544 1.00 31.14 H new ATOM 0 HZ PHE A 65 15.948 18.074 -13.849 1.00 51.31 H new ATOM 1017 N TYR A 66 15.064 13.110 -8.175 1.00 70.12 N ATOM 1018 CA TYR A 66 14.878 11.753 -8.677 1.00 13.53 C ATOM 1019 C TYR A 66 13.459 11.263 -8.406 1.00 33.31 C ATOM 1020 O TYR A 66 12.931 11.426 -7.305 1.00 23.50 O ATOM 1021 CB TYR A 66 15.889 10.805 -8.031 1.00 2.21 C ATOM 1022 CG TYR A 66 17.047 10.448 -8.935 1.00 60.43 C ATOM 1023 CD1 TYR A 66 16.828 9.937 -10.208 1.00 72.35 C ATOM 1024 CD2 TYR A 66 18.360 10.622 -8.516 1.00 65.15 C ATOM 1025 CE1 TYR A 66 17.883 9.608 -11.038 1.00 13.14 C ATOM 1026 CE2 TYR A 66 19.422 10.297 -9.339 1.00 54.35 C ATOM 1027 CZ TYR A 66 19.178 9.790 -10.599 1.00 14.42 C ATOM 1028 OH TYR A 66 20.231 9.466 -11.422 1.00 61.53 O ATOM 0 H TYR A 66 14.836 13.230 -7.188 1.00 70.12 H new ATOM 0 HA TYR A 66 15.040 11.766 -9.755 1.00 13.53 H new ATOM 0 HB2 TYR A 66 16.277 11.265 -7.122 1.00 2.21 H new ATOM 0 HB3 TYR A 66 15.377 9.890 -7.732 1.00 2.21 H new ATOM 0 HD1 TYR A 66 15.815 9.794 -10.555 1.00 72.35 H new ATOM 0 HD2 TYR A 66 18.554 11.018 -7.530 1.00 65.15 H new ATOM 0 HE1 TYR A 66 17.695 9.211 -12.024 1.00 13.14 H new ATOM 0 HE2 TYR A 66 20.437 10.439 -8.998 1.00 54.35 H new ATOM 0 HH TYR A 66 20.978 9.133 -10.882 1.00 61.53 H new ATOM 1038 N THR A 67 12.845 10.659 -9.419 1.00 53.31 N ATOM 1039 CA THR A 67 11.487 10.144 -9.293 1.00 2.43 C ATOM 1040 C THR A 67 11.351 8.783 -9.964 1.00 71.32 C ATOM 1041 O THR A 67 10.280 8.427 -10.455 1.00 71.35 O ATOM 1042 CB THR A 67 10.459 11.113 -9.908 1.00 65.21 C ATOM 1043 OG1 THR A 67 10.839 12.467 -9.637 1.00 72.22 O ATOM 1044 CG2 THR A 67 9.068 10.850 -9.353 1.00 30.25 C ATOM 0 H THR A 67 13.267 10.514 -10.336 1.00 53.31 H new ATOM 0 HA THR A 67 11.285 10.042 -8.227 1.00 2.43 H new ATOM 0 HB THR A 67 10.439 10.951 -10.986 1.00 65.21 H new ATOM 0 HG1 THR A 67 10.181 13.077 -10.032 1.00 72.22 H new ATOM 0 HG21 THR A 67 8.360 11.546 -9.802 1.00 30.25 H new ATOM 0 HG22 THR A 67 8.770 9.828 -9.587 1.00 30.25 H new ATOM 0 HG23 THR A 67 9.076 10.987 -8.272 1.00 30.25 H new ATOM 1052 N SER A 68 12.443 8.025 -9.981 1.00 75.43 N ATOM 1053 CA SER A 68 12.445 6.702 -10.596 1.00 2.12 C ATOM 1054 C SER A 68 13.663 5.898 -10.150 1.00 13.25 C ATOM 1055 O SER A 68 14.621 6.451 -9.608 1.00 72.45 O ATOM 1056 CB SER A 68 12.432 6.825 -12.121 1.00 0.13 C ATOM 1057 OG SER A 68 13.461 7.688 -12.572 1.00 3.44 O ATOM 0 H SER A 68 13.337 8.304 -9.576 1.00 75.43 H new ATOM 0 HA SER A 68 11.546 6.177 -10.273 1.00 2.12 H new ATOM 0 HB2 SER A 68 12.557 5.839 -12.569 1.00 0.13 H new ATOM 0 HB3 SER A 68 11.465 7.204 -12.450 1.00 0.13 H new ATOM 0 HG SER A 68 13.432 7.748 -13.550 1.00 3.44 H new ATOM 1063 N ASP A 69 13.617 4.591 -10.380 1.00 63.24 N ATOM 1064 CA ASP A 69 14.716 3.709 -10.004 1.00 2.32 C ATOM 1065 C ASP A 69 16.046 4.246 -10.523 1.00 42.24 C ATOM 1066 O ASP A 69 16.351 4.134 -11.710 1.00 54.45 O ATOM 1067 CB ASP A 69 14.475 2.299 -10.544 1.00 61.04 C ATOM 1068 CG ASP A 69 13.477 1.522 -9.709 1.00 74.34 C ATOM 1069 OD1 ASP A 69 13.876 0.984 -8.656 1.00 22.02 O ATOM 1070 OD2 ASP A 69 12.296 1.450 -10.110 1.00 53.31 O ATOM 0 H ASP A 69 12.830 4.118 -10.825 1.00 63.24 H new ATOM 0 HA ASP A 69 14.761 3.669 -8.916 1.00 2.32 H new ATOM 0 HB2 ASP A 69 14.114 2.363 -11.570 1.00 61.04 H new ATOM 0 HB3 ASP A 69 15.420 1.757 -10.572 1.00 61.04 H new ATOM 1075 N ALA A 70 16.834 4.830 -9.626 1.00 52.23 N ATOM 1076 CA ALA A 70 18.131 5.384 -9.994 1.00 22.41 C ATOM 1077 C ALA A 70 19.268 4.537 -9.431 1.00 43.55 C ATOM 1078 O ALA A 70 19.324 4.276 -8.230 1.00 64.13 O ATOM 1079 CB ALA A 70 18.249 6.820 -9.507 1.00 41.43 C ATOM 0 H ALA A 70 16.597 4.932 -8.639 1.00 52.23 H new ATOM 0 HA ALA A 70 18.208 5.374 -11.081 1.00 22.41 H new ATOM 0 HB1 ALA A 70 19.223 7.221 -9.789 1.00 41.43 H new ATOM 0 HB2 ALA A 70 17.463 7.424 -9.960 1.00 41.43 H new ATOM 0 HB3 ALA A 70 18.146 6.846 -8.422 1.00 41.43 H new ATOM 1085 N ALA A 71 20.172 4.112 -10.308 1.00 24.13 N ATOM 1086 CA ALA A 71 21.309 3.296 -9.898 1.00 12.43 C ATOM 1087 C ALA A 71 22.584 4.129 -9.824 1.00 41.13 C ATOM 1088 O ALA A 71 23.674 3.638 -10.115 1.00 60.33 O ATOM 1089 CB ALA A 71 21.493 2.128 -10.855 1.00 41.53 C ATOM 0 H ALA A 71 20.139 4.319 -11.306 1.00 24.13 H new ATOM 0 HA ALA A 71 21.104 2.905 -8.901 1.00 12.43 H new ATOM 0 HB1 ALA A 71 22.345 1.528 -10.537 1.00 41.53 H new ATOM 0 HB2 ALA A 71 20.594 1.512 -10.854 1.00 41.53 H new ATOM 0 HB3 ALA A 71 21.672 2.507 -11.861 1.00 41.53 H new ATOM 1095 N GLU A 72 22.439 5.392 -9.434 1.00 64.25 N ATOM 1096 CA GLU A 72 23.581 6.292 -9.325 1.00 0.40 C ATOM 1097 C GLU A 72 23.154 7.646 -8.764 1.00 64.12 C ATOM 1098 O GLU A 72 22.481 8.426 -9.439 1.00 44.30 O ATOM 1099 CB GLU A 72 24.244 6.480 -10.691 1.00 54.14 C ATOM 1100 CG GLU A 72 25.762 6.482 -10.636 1.00 41.33 C ATOM 1101 CD GLU A 72 26.368 7.706 -11.297 1.00 20.54 C ATOM 1102 OE1 GLU A 72 25.795 8.186 -12.297 1.00 22.42 O ATOM 1103 OE2 GLU A 72 27.416 8.183 -10.812 1.00 74.20 O ATOM 0 H GLU A 72 21.543 5.814 -9.189 1.00 64.25 H new ATOM 0 HA GLU A 72 24.300 5.844 -8.640 1.00 0.40 H new ATOM 0 HB2 GLU A 72 23.914 5.684 -11.358 1.00 54.14 H new ATOM 0 HB3 GLU A 72 23.903 7.420 -11.124 1.00 54.14 H new ATOM 0 HG2 GLU A 72 26.084 6.438 -9.596 1.00 41.33 H new ATOM 0 HG3 GLU A 72 26.141 5.584 -11.125 1.00 41.33 H new ATOM 1110 N LEU A 73 23.550 7.917 -7.525 1.00 51.54 N ATOM 1111 CA LEU A 73 23.209 9.176 -6.872 1.00 12.40 C ATOM 1112 C LEU A 73 23.573 10.365 -7.756 1.00 72.11 C ATOM 1113 O LEU A 73 24.421 10.256 -8.641 1.00 61.04 O ATOM 1114 CB LEU A 73 23.929 9.287 -5.527 1.00 41.21 C ATOM 1115 CG LEU A 73 23.090 8.973 -4.288 1.00 54.22 C ATOM 1116 CD1 LEU A 73 22.168 10.137 -3.959 1.00 11.21 C ATOM 1117 CD2 LEU A 73 22.287 7.697 -4.497 1.00 52.53 C ATOM 0 H LEU A 73 24.107 7.282 -6.953 1.00 51.54 H new ATOM 0 HA LEU A 73 22.132 9.189 -6.703 1.00 12.40 H new ATOM 0 HB2 LEU A 73 24.787 8.614 -5.540 1.00 41.21 H new ATOM 0 HB3 LEU A 73 24.320 10.300 -5.429 1.00 41.21 H new ATOM 0 HG LEU A 73 23.764 8.820 -3.445 1.00 54.22 H new ATOM 0 HD11 LEU A 73 21.579 9.896 -3.074 1.00 11.21 H new ATOM 0 HD12 LEU A 73 22.763 11.029 -3.766 1.00 11.21 H new ATOM 0 HD13 LEU A 73 21.500 10.321 -4.801 1.00 11.21 H new ATOM 0 HD21 LEU A 73 21.696 7.489 -3.605 1.00 52.53 H new ATOM 0 HD22 LEU A 73 21.622 7.821 -5.352 1.00 52.53 H new ATOM 0 HD23 LEU A 73 22.967 6.866 -4.684 1.00 52.53 H new ATOM 1129 N SER A 74 22.927 11.500 -7.508 1.00 71.14 N ATOM 1130 CA SER A 74 23.181 12.709 -8.283 1.00 23.11 C ATOM 1131 C SER A 74 24.676 13.005 -8.353 1.00 24.31 C ATOM 1132 O SER A 74 25.291 12.905 -9.415 1.00 20.51 O ATOM 1133 CB SER A 74 22.443 13.899 -7.668 1.00 13.14 C ATOM 1134 OG SER A 74 21.163 13.516 -7.195 1.00 52.12 O ATOM 0 H SER A 74 22.224 11.608 -6.777 1.00 71.14 H new ATOM 0 HA SER A 74 22.812 12.546 -9.296 1.00 23.11 H new ATOM 0 HB2 SER A 74 23.030 14.310 -6.846 1.00 13.14 H new ATOM 0 HB3 SER A 74 22.338 14.689 -8.411 1.00 13.14 H new ATOM 0 HG SER A 74 20.694 13.011 -7.892 1.00 52.12 H new ATOM 1140 N ARG A 75 25.255 13.370 -7.213 1.00 71.54 N ATOM 1141 CA ARG A 75 26.677 13.681 -7.144 1.00 44.34 C ATOM 1142 C ARG A 75 27.473 12.482 -6.637 1.00 11.34 C ATOM 1143 O ARG A 75 27.177 11.933 -5.575 1.00 73.45 O ATOM 1144 CB ARG A 75 26.913 14.887 -6.232 1.00 64.34 C ATOM 1145 CG ARG A 75 28.041 15.792 -6.699 1.00 43.24 C ATOM 1146 CD ARG A 75 27.544 16.840 -7.683 1.00 72.42 C ATOM 1147 NE ARG A 75 28.104 18.160 -7.407 1.00 62.33 N ATOM 1148 CZ ARG A 75 29.360 18.497 -7.680 1.00 30.55 C ATOM 1149 NH1 ARG A 75 30.181 17.615 -8.233 1.00 23.24 N ATOM 1150 NH2 ARG A 75 29.796 19.718 -7.399 1.00 23.20 N ATOM 0 H ARG A 75 24.761 13.457 -6.325 1.00 71.54 H new ATOM 0 HA ARG A 75 27.020 13.922 -8.150 1.00 44.34 H new ATOM 0 HB2 ARG A 75 25.994 15.469 -6.169 1.00 64.34 H new ATOM 0 HB3 ARG A 75 27.136 14.533 -5.226 1.00 64.34 H new ATOM 0 HG2 ARG A 75 28.493 16.285 -5.838 1.00 43.24 H new ATOM 0 HG3 ARG A 75 28.820 15.191 -7.168 1.00 43.24 H new ATOM 0 HD2 ARG A 75 27.808 16.539 -8.697 1.00 72.42 H new ATOM 0 HD3 ARG A 75 26.456 16.891 -7.639 1.00 72.42 H new ATOM 0 HE ARG A 75 27.498 18.862 -6.981 1.00 62.33 H new ATOM 0 HH11 ARG A 75 29.849 16.675 -8.450 1.00 23.24 H new ATOM 0 HH12 ARG A 75 31.145 17.876 -8.442 1.00 23.24 H new ATOM 0 HH21 ARG A 75 29.167 20.399 -6.973 1.00 23.20 H new ATOM 0 HH22 ARG A 75 30.760 19.976 -7.609 1.00 23.20 H new ATOM 1164 N ASP A 76 28.483 12.082 -7.401 1.00 53.23 N ATOM 1165 CA ASP A 76 29.321 10.949 -7.029 1.00 63.30 C ATOM 1166 C ASP A 76 29.873 11.122 -5.617 1.00 63.44 C ATOM 1167 O ASP A 76 30.683 12.012 -5.362 1.00 23.40 O ATOM 1168 CB ASP A 76 30.472 10.790 -8.024 1.00 70.30 C ATOM 1169 CG ASP A 76 30.052 10.056 -9.282 1.00 60.04 C ATOM 1170 OD1 ASP A 76 29.795 8.836 -9.201 1.00 4.31 O ATOM 1171 OD2 ASP A 76 29.979 10.702 -10.349 1.00 20.53 O ATOM 0 H ASP A 76 28.741 12.526 -8.282 1.00 53.23 H new ATOM 0 HA ASP A 76 28.705 10.050 -7.051 1.00 63.30 H new ATOM 0 HB2 ASP A 76 30.855 11.775 -8.292 1.00 70.30 H new ATOM 0 HB3 ASP A 76 31.289 10.249 -7.547 1.00 70.30 H new ATOM 1176 N ASN A 77 29.428 10.265 -4.704 1.00 71.23 N ATOM 1177 CA ASN A 77 29.876 10.324 -3.318 1.00 21.13 C ATOM 1178 C ASN A 77 29.763 11.743 -2.770 1.00 0.25 C ATOM 1179 O ASN A 77 30.766 12.368 -2.424 1.00 20.11 O ATOM 1180 CB ASN A 77 31.322 9.836 -3.206 1.00 32.30 C ATOM 1181 CG ASN A 77 31.412 8.334 -3.018 1.00 70.43 C ATOM 1182 OD1 ASN A 77 31.956 7.853 -2.024 1.00 35.50 O ATOM 1183 ND2 ASN A 77 30.878 7.585 -3.976 1.00 71.22 N ATOM 0 H ASN A 77 28.758 9.522 -4.899 1.00 71.23 H new ATOM 0 HA ASN A 77 29.233 9.672 -2.726 1.00 21.13 H new ATOM 0 HB2 ASN A 77 31.869 10.120 -4.105 1.00 32.30 H new ATOM 0 HB3 ASN A 77 31.807 10.334 -2.366 1.00 32.30 H new ATOM 0 HD21 ASN A 77 30.909 6.568 -3.905 1.00 71.22 H new ATOM 0 HD22 ASN A 77 30.437 8.027 -4.783 1.00 71.22 H new ATOM 1190 N ASP A 78 28.536 12.246 -2.693 1.00 33.44 N ATOM 1191 CA ASP A 78 28.291 13.591 -2.185 1.00 35.51 C ATOM 1192 C ASP A 78 26.796 13.839 -2.003 1.00 24.44 C ATOM 1193 O ASP A 78 26.149 14.444 -2.856 1.00 42.51 O ATOM 1194 CB ASP A 78 28.881 14.633 -3.136 1.00 10.15 C ATOM 1195 CG ASP A 78 30.193 15.200 -2.630 1.00 64.35 C ATOM 1196 OD1 ASP A 78 30.191 15.833 -1.554 1.00 73.32 O ATOM 1197 OD2 ASP A 78 31.223 15.011 -3.312 1.00 30.21 O ATOM 0 H ASP A 78 27.695 11.743 -2.976 1.00 33.44 H new ATOM 0 HA ASP A 78 28.777 13.680 -1.213 1.00 35.51 H new ATOM 0 HB2 ASP A 78 29.038 14.180 -4.115 1.00 10.15 H new ATOM 0 HB3 ASP A 78 28.166 15.444 -3.271 1.00 10.15 H new ATOM 1202 N ALA A 79 26.255 13.365 -0.885 1.00 61.01 N ATOM 1203 CA ALA A 79 24.838 13.536 -0.591 1.00 11.15 C ATOM 1204 C ALA A 79 24.613 13.789 0.896 1.00 11.43 C ATOM 1205 O ALA A 79 24.268 12.876 1.646 1.00 13.20 O ATOM 1206 CB ALA A 79 24.053 12.314 -1.044 1.00 42.14 C ATOM 0 H ALA A 79 26.777 12.860 -0.169 1.00 61.01 H new ATOM 0 HA ALA A 79 24.481 14.407 -1.140 1.00 11.15 H new ATOM 0 HB1 ALA A 79 22.996 12.456 -0.818 1.00 42.14 H new ATOM 0 HB2 ALA A 79 24.179 12.178 -2.118 1.00 42.14 H new ATOM 0 HB3 ALA A 79 24.420 11.431 -0.521 1.00 42.14 H new ATOM 1212 N SER A 80 24.811 15.035 1.316 1.00 23.24 N ATOM 1213 CA SER A 80 24.634 15.407 2.715 1.00 23.02 C ATOM 1214 C SER A 80 23.171 15.282 3.130 1.00 64.23 C ATOM 1215 O SER A 80 22.816 14.429 3.943 1.00 71.55 O ATOM 1216 CB SER A 80 25.122 16.838 2.950 1.00 60.13 C ATOM 1217 OG SER A 80 24.749 17.299 4.237 1.00 41.34 O ATOM 0 H SER A 80 25.094 15.803 0.708 1.00 23.24 H new ATOM 0 HA SER A 80 25.226 14.724 3.324 1.00 23.02 H new ATOM 0 HB2 SER A 80 26.206 16.877 2.846 1.00 60.13 H new ATOM 0 HB3 SER A 80 24.705 17.497 2.189 1.00 60.13 H new ATOM 0 HG SER A 80 25.294 18.077 4.476 1.00 41.34 H new ATOM 1223 N SER A 81 22.327 16.139 2.565 1.00 44.24 N ATOM 1224 CA SER A 81 20.903 16.128 2.877 1.00 1.34 C ATOM 1225 C SER A 81 20.097 15.550 1.718 1.00 12.24 C ATOM 1226 O SER A 81 20.554 15.535 0.575 1.00 20.14 O ATOM 1227 CB SER A 81 20.418 17.544 3.195 1.00 43.23 C ATOM 1228 OG SER A 81 19.004 17.619 3.158 1.00 53.10 O ATOM 0 H SER A 81 22.605 16.850 1.889 1.00 44.24 H new ATOM 0 HA SER A 81 20.753 15.495 3.752 1.00 1.34 H new ATOM 0 HB2 SER A 81 20.775 17.841 4.181 1.00 43.23 H new ATOM 0 HB3 SER A 81 20.841 18.247 2.477 1.00 43.23 H new ATOM 0 HG SER A 81 18.626 16.987 3.805 1.00 53.10 H new ATOM 1234 N VAL A 82 18.893 15.075 2.022 1.00 21.11 N ATOM 1235 CA VAL A 82 18.021 14.496 1.007 1.00 41.31 C ATOM 1236 C VAL A 82 16.557 14.807 1.298 1.00 22.10 C ATOM 1237 O VAL A 82 16.206 15.207 2.408 1.00 51.31 O ATOM 1238 CB VAL A 82 18.202 12.969 0.915 1.00 2.54 C ATOM 1239 CG1 VAL A 82 19.521 12.628 0.239 1.00 72.44 C ATOM 1240 CG2 VAL A 82 18.124 12.340 2.298 1.00 5.43 C ATOM 0 H VAL A 82 18.500 15.080 2.963 1.00 21.11 H new ATOM 0 HA VAL A 82 18.303 14.945 0.055 1.00 41.31 H new ATOM 0 HB VAL A 82 17.394 12.560 0.308 1.00 2.54 H new ATOM 0 HG11 VAL A 82 19.632 11.545 0.183 1.00 72.44 H new ATOM 0 HG12 VAL A 82 19.533 13.047 -0.767 1.00 72.44 H new ATOM 0 HG13 VAL A 82 20.345 13.047 0.816 1.00 72.44 H new ATOM 0 HG21 VAL A 82 18.254 11.261 2.215 1.00 5.43 H new ATOM 0 HG22 VAL A 82 18.910 12.752 2.930 1.00 5.43 H new ATOM 0 HG23 VAL A 82 17.152 12.555 2.741 1.00 5.43 H new ATOM 1250 N ARG A 83 15.707 14.619 0.294 1.00 42.01 N ATOM 1251 CA ARG A 83 14.280 14.880 0.442 1.00 64.22 C ATOM 1252 C ARG A 83 13.455 13.736 -0.141 1.00 44.34 C ATOM 1253 O ARG A 83 13.765 13.218 -1.214 1.00 72.23 O ATOM 1254 CB ARG A 83 13.907 16.195 -0.245 1.00 73.43 C ATOM 1255 CG ARG A 83 13.018 17.092 0.600 1.00 3.51 C ATOM 1256 CD ARG A 83 13.487 18.538 0.559 1.00 4.40 C ATOM 1257 NE ARG A 83 12.436 19.467 0.965 1.00 74.23 N ATOM 1258 CZ ARG A 83 12.432 20.757 0.648 1.00 31.11 C ATOM 1259 NH1 ARG A 83 13.419 21.268 -0.075 1.00 12.44 N ATOM 1260 NH2 ARG A 83 11.439 21.538 1.054 1.00 2.14 N ATOM 0 H ARG A 83 15.981 14.287 -0.631 1.00 42.01 H new ATOM 0 HA ARG A 83 14.058 14.959 1.506 1.00 64.22 H new ATOM 0 HB2 ARG A 83 14.820 16.735 -0.497 1.00 73.43 H new ATOM 0 HB3 ARG A 83 13.398 15.974 -1.183 1.00 73.43 H new ATOM 0 HG2 ARG A 83 11.991 17.031 0.240 1.00 3.51 H new ATOM 0 HG3 ARG A 83 13.016 16.738 1.631 1.00 3.51 H new ATOM 0 HD2 ARG A 83 14.350 18.658 1.215 1.00 4.40 H new ATOM 0 HD3 ARG A 83 13.817 18.783 -0.450 1.00 4.40 H new ATOM 0 HE ARG A 83 11.662 19.105 1.523 1.00 74.23 H new ATOM 0 HH11 ARG A 83 14.184 20.670 -0.389 1.00 12.44 H new ATOM 0 HH12 ARG A 83 13.414 22.259 -0.317 1.00 12.44 H new ATOM 0 HH21 ARG A 83 10.678 21.148 1.610 1.00 2.14 H new ATOM 0 HH22 ARG A 83 11.437 22.528 0.810 1.00 2.14 H new ATOM 1274 N VAL A 84 12.404 13.348 0.573 1.00 21.51 N ATOM 1275 CA VAL A 84 11.534 12.266 0.127 1.00 40.13 C ATOM 1276 C VAL A 84 10.066 12.625 0.325 1.00 74.31 C ATOM 1277 O VAL A 84 9.687 13.189 1.351 1.00 32.24 O ATOM 1278 CB VAL A 84 11.837 10.956 0.878 1.00 71.25 C ATOM 1279 CG1 VAL A 84 13.325 10.643 0.827 1.00 74.21 C ATOM 1280 CG2 VAL A 84 11.351 11.042 2.316 1.00 35.03 C ATOM 0 H VAL A 84 12.134 13.767 1.463 1.00 21.51 H new ATOM 0 HA VAL A 84 11.729 12.120 -0.935 1.00 40.13 H new ATOM 0 HB VAL A 84 11.302 10.143 0.386 1.00 71.25 H new ATOM 0 HG11 VAL A 84 13.520 9.714 1.363 1.00 74.21 H new ATOM 0 HG12 VAL A 84 13.639 10.536 -0.211 1.00 74.21 H new ATOM 0 HG13 VAL A 84 13.884 11.455 1.293 1.00 74.21 H new ATOM 0 HG21 VAL A 84 11.573 10.108 2.832 1.00 35.03 H new ATOM 0 HG22 VAL A 84 11.856 11.865 2.822 1.00 35.03 H new ATOM 0 HG23 VAL A 84 10.275 11.215 2.327 1.00 35.03 H new ATOM 1290 N SER A 85 9.242 12.293 -0.665 1.00 3.15 N ATOM 1291 CA SER A 85 7.815 12.583 -0.601 1.00 13.23 C ATOM 1292 C SER A 85 7.038 11.704 -1.576 1.00 34.45 C ATOM 1293 O SER A 85 7.623 11.013 -2.410 1.00 1.20 O ATOM 1294 CB SER A 85 7.558 14.059 -0.912 1.00 22.11 C ATOM 1295 OG SER A 85 8.613 14.873 -0.429 1.00 70.20 O ATOM 0 H SER A 85 9.539 11.823 -1.520 1.00 3.15 H new ATOM 0 HA SER A 85 7.471 12.367 0.410 1.00 13.23 H new ATOM 0 HB2 SER A 85 7.454 14.194 -1.989 1.00 22.11 H new ATOM 0 HB3 SER A 85 6.617 14.371 -0.459 1.00 22.11 H new ATOM 0 HG SER A 85 8.867 14.579 0.471 1.00 70.20 H new ATOM 1301 N LYS A 86 5.714 11.734 -1.464 1.00 31.14 N ATOM 1302 CA LYS A 86 4.854 10.942 -2.334 1.00 73.44 C ATOM 1303 C LYS A 86 4.203 11.818 -3.400 1.00 32.12 C ATOM 1304 O LYS A 86 3.434 12.726 -3.085 1.00 3.11 O ATOM 1305 CB LYS A 86 3.774 10.233 -1.512 1.00 45.52 C ATOM 1306 CG LYS A 86 4.320 9.155 -0.592 1.00 44.23 C ATOM 1307 CD LYS A 86 4.560 9.688 0.811 1.00 72.34 C ATOM 1308 CE LYS A 86 3.300 9.609 1.659 1.00 21.33 C ATOM 1309 NZ LYS A 86 2.754 10.959 1.969 1.00 41.23 N ATOM 0 H LYS A 86 5.213 12.299 -0.778 1.00 31.14 H new ATOM 0 HA LYS A 86 5.473 10.195 -2.831 1.00 73.44 H new ATOM 0 HB2 LYS A 86 3.240 10.972 -0.915 1.00 45.52 H new ATOM 0 HB3 LYS A 86 3.048 9.786 -2.191 1.00 45.52 H new ATOM 0 HG2 LYS A 86 3.619 8.321 -0.551 1.00 44.23 H new ATOM 0 HG3 LYS A 86 5.253 8.766 -0.999 1.00 44.23 H new ATOM 0 HD2 LYS A 86 5.357 9.117 1.287 1.00 72.34 H new ATOM 0 HD3 LYS A 86 4.899 10.723 0.756 1.00 72.34 H new ATOM 0 HE2 LYS A 86 2.545 9.024 1.134 1.00 21.33 H new ATOM 0 HE3 LYS A 86 3.520 9.084 2.589 1.00 21.33 H new ATOM 0 HZ1 LYS A 86 1.957 10.868 2.631 1.00 41.23 H new ATOM 0 HZ2 LYS A 86 3.498 11.543 2.401 1.00 41.23 H new ATOM 0 HZ3 LYS A 86 2.425 11.410 1.092 1.00 41.23 H new ATOM 1323 N MET A 87 4.515 11.538 -4.661 1.00 53.30 N ATOM 1324 CA MET A 87 3.957 12.300 -5.773 1.00 2.24 C ATOM 1325 C MET A 87 2.539 11.838 -6.091 1.00 13.41 C ATOM 1326 O MET A 87 1.576 12.579 -5.891 1.00 45.04 O ATOM 1327 CB MET A 87 4.843 12.157 -7.012 1.00 12.12 C ATOM 1328 CG MET A 87 5.388 13.480 -7.525 1.00 73.15 C ATOM 1329 SD MET A 87 4.145 14.451 -8.399 1.00 73.34 S ATOM 1330 CE MET A 87 5.029 14.859 -9.903 1.00 31.44 C ATOM 0 H MET A 87 5.150 10.790 -4.939 1.00 53.30 H new ATOM 0 HA MET A 87 3.921 13.349 -5.480 1.00 2.24 H new ATOM 0 HB2 MET A 87 5.677 11.496 -6.778 1.00 12.12 H new ATOM 0 HB3 MET A 87 4.270 11.677 -7.805 1.00 12.12 H new ATOM 0 HG2 MET A 87 5.773 14.060 -6.686 1.00 73.15 H new ATOM 0 HG3 MET A 87 6.229 13.288 -8.192 1.00 73.15 H new ATOM 0 HE1 MET A 87 4.389 15.460 -10.549 1.00 31.44 H new ATOM 0 HE2 MET A 87 5.928 15.424 -9.655 1.00 31.44 H new ATOM 0 HE3 MET A 87 5.308 13.942 -10.421 1.00 31.44 H new