USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 625 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -156:sc= 0.962 (180deg=0.545) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot -160:sc= -0.925 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= -0.962 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -130:sc= -0.214 (180deg=-2.45!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -73:sc= -0.29 USER MOD Single : A 32 SER OG : rot 180:sc= 0.00695 USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= -0.1 (180deg=-0.147) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 76:sc= 1.06 USER MOD Single : A 46 MET CE :methyl 150:sc= -0.122 (180deg=-1.08) USER MOD Single : A 47 ASN : amide:sc= -1.11 K(o=-1.1,f=-1.6!) USER MOD Single : A 55 ASN : amide:sc= 0.382 X(o=0.38,f=-0.025) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 65 SER OG : rot 115:sc= 0.163 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.746 USER MOD Single : A 68 GLN : amide:sc= -7.69! C(o=-7.7!,f=-3.5!) USER MOD Single : A 69 GLN : amide:sc= -0.518 K(o=-0.52,f=-3.7!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 173:sc= -0.0543 (180deg=-0.163) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -6.446 -3.363 9.613 1.00 0.00 N ATOM 2 CA ALA A 1 -6.404 -4.395 8.585 1.00 71.14 C ATOM 3 C ALA A 1 -5.914 -5.721 9.157 1.00 31.21 C ATOM 4 O ALA A 1 -5.623 -5.825 10.350 1.00 44.12 O ATOM 5 CB ALA A 1 -5.515 -3.955 7.431 1.00 73.32 C ATOM 0 H1 ALA A 1 -7.130 -2.629 9.340 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.734 -3.786 10.518 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.503 -2.936 9.715 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.418 -4.543 8.212 1.00 71.14 H new ATOM 0 HB1 ALA A 1 -5.493 -4.736 6.671 1.00 73.32 H new ATOM 0 HB2 ALA A 1 -5.910 -3.037 6.997 1.00 73.32 H new ATOM 0 HB3 ALA A 1 -4.504 -3.777 7.798 1.00 73.32 H new ATOM 11 N LYS A 2 -5.825 -6.733 8.302 1.00 43.23 N ATOM 12 CA LYS A 2 -5.368 -8.053 8.721 1.00 73.11 C ATOM 13 C LYS A 2 -3.978 -8.349 8.170 1.00 1.14 C ATOM 14 O LYS A 2 -3.543 -7.740 7.192 1.00 12.12 O ATOM 15 CB LYS A 2 -6.353 -9.127 8.253 1.00 51.13 C ATOM 16 CG LYS A 2 -6.780 -8.972 6.804 1.00 44.13 C ATOM 17 CD LYS A 2 -8.157 -8.339 6.693 1.00 45.32 C ATOM 18 CE LYS A 2 -9.259 -9.371 6.869 1.00 74.13 C ATOM 19 NZ LYS A 2 -9.588 -10.057 5.589 1.00 34.11 N ATOM 0 H LYS A 2 -6.064 -6.665 7.313 1.00 43.23 H new ATOM 0 HA LYS A 2 -5.317 -8.064 9.810 1.00 73.11 H new ATOM 0 HB2 LYS A 2 -5.897 -10.108 8.386 1.00 51.13 H new ATOM 0 HB3 LYS A 2 -7.238 -9.098 8.889 1.00 51.13 H new ATOM 0 HG2 LYS A 2 -6.052 -8.358 6.273 1.00 44.13 H new ATOM 0 HG3 LYS A 2 -6.787 -9.948 6.319 1.00 44.13 H new ATOM 0 HD2 LYS A 2 -8.263 -7.560 7.448 1.00 45.32 H new ATOM 0 HD3 LYS A 2 -8.260 -7.857 5.721 1.00 45.32 H new ATOM 0 HE2 LYS A 2 -8.949 -10.110 7.608 1.00 74.13 H new ATOM 0 HE3 LYS A 2 -10.153 -8.885 7.260 1.00 74.13 H new ATOM 0 HZ1 LYS A 2 -10.344 -10.753 5.752 1.00 34.11 H new ATOM 0 HZ2 LYS A 2 -9.908 -9.355 4.891 1.00 34.11 H new ATOM 0 HZ3 LYS A 2 -8.742 -10.543 5.228 1.00 34.11 H new ATOM 33 N LYS A 3 -3.283 -9.288 8.803 1.00 1.52 N ATOM 34 CA LYS A 3 -1.941 -9.666 8.375 1.00 42.24 C ATOM 35 C LYS A 3 -1.947 -10.144 6.926 1.00 31.43 C ATOM 36 O LYS A 3 -0.932 -10.069 6.235 1.00 24.12 O ATOM 37 CB LYS A 3 -1.386 -10.766 9.284 1.00 44.32 C ATOM 38 CG LYS A 3 -2.264 -12.003 9.348 1.00 32.41 C ATOM 39 CD LYS A 3 -3.128 -12.009 10.598 1.00 22.15 C ATOM 40 CE LYS A 3 -3.471 -13.426 11.032 1.00 20.13 C ATOM 41 NZ LYS A 3 -4.506 -13.443 12.102 1.00 54.20 N ATOM 0 H LYS A 3 -3.627 -9.801 9.614 1.00 1.52 H new ATOM 0 HA LYS A 3 -1.301 -8.786 8.446 1.00 42.24 H new ATOM 0 HB2 LYS A 3 -0.395 -11.052 8.931 1.00 44.32 H new ATOM 0 HB3 LYS A 3 -1.262 -10.366 10.290 1.00 44.32 H new ATOM 0 HG2 LYS A 3 -2.901 -12.045 8.464 1.00 32.41 H new ATOM 0 HG3 LYS A 3 -1.639 -12.896 9.333 1.00 32.41 H new ATOM 0 HD2 LYS A 3 -2.605 -11.497 11.405 1.00 22.15 H new ATOM 0 HD3 LYS A 3 -4.046 -11.453 10.410 1.00 22.15 H new ATOM 0 HE2 LYS A 3 -3.828 -13.993 10.172 1.00 20.13 H new ATOM 0 HE3 LYS A 3 -2.570 -13.924 11.390 1.00 20.13 H new ATOM 0 HZ1 LYS A 3 -4.712 -14.426 12.370 1.00 54.20 H new ATOM 0 HZ2 LYS A 3 -4.156 -12.924 12.932 1.00 54.20 H new ATOM 0 HZ3 LYS A 3 -5.375 -12.990 11.752 1.00 54.20 H new ATOM 55 N GLU A 4 -3.096 -10.633 6.473 1.00 13.11 N ATOM 56 CA GLU A 4 -3.233 -11.122 5.106 1.00 12.34 C ATOM 57 C GLU A 4 -3.270 -9.961 4.115 1.00 73.44 C ATOM 58 O GLU A 4 -2.662 -10.023 3.046 1.00 12.43 O ATOM 59 CB GLU A 4 -4.500 -11.967 4.967 1.00 10.33 C ATOM 60 CG GLU A 4 -4.493 -13.220 5.825 1.00 64.21 C ATOM 61 CD GLU A 4 -3.650 -14.331 5.229 1.00 63.03 C ATOM 62 OE1 GLU A 4 -2.905 -14.058 4.264 1.00 54.12 O ATOM 63 OE2 GLU A 4 -3.736 -15.474 5.725 1.00 1.55 O ATOM 0 H GLU A 4 -3.946 -10.701 7.032 1.00 13.11 H new ATOM 0 HA GLU A 4 -2.366 -11.743 4.880 1.00 12.34 H new ATOM 0 HB2 GLU A 4 -5.364 -11.358 5.235 1.00 10.33 H new ATOM 0 HB3 GLU A 4 -4.623 -12.253 3.922 1.00 10.33 H new ATOM 0 HG2 GLU A 4 -4.114 -12.974 6.817 1.00 64.21 H new ATOM 0 HG3 GLU A 4 -5.516 -13.574 5.953 1.00 64.21 H new ATOM 70 N THR A 5 -3.990 -8.904 4.478 1.00 31.33 N ATOM 71 CA THR A 5 -4.110 -7.731 3.621 1.00 34.52 C ATOM 72 C THR A 5 -2.775 -7.006 3.492 1.00 20.35 C ATOM 73 O THR A 5 -2.396 -6.573 2.404 1.00 65.34 O ATOM 74 CB THR A 5 -5.164 -6.747 4.161 1.00 75.43 C ATOM 75 OG1 THR A 5 -6.444 -7.388 4.228 1.00 50.13 O ATOM 76 CG2 THR A 5 -5.256 -5.513 3.277 1.00 14.23 C ATOM 0 H THR A 5 -4.499 -8.836 5.360 1.00 31.33 H new ATOM 0 HA THR A 5 -4.424 -8.087 2.640 1.00 34.52 H new ATOM 0 HB THR A 5 -4.860 -6.437 5.161 1.00 75.43 H new ATOM 0 HG1 THR A 5 -7.149 -6.708 4.259 1.00 50.13 H new ATOM 0 HG21 THR A 5 -6.007 -4.833 3.679 1.00 14.23 H new ATOM 0 HG22 THR A 5 -4.289 -5.011 3.251 1.00 14.23 H new ATOM 0 HG23 THR A 5 -5.538 -5.809 2.267 1.00 14.23 H new ATOM 84 N ILE A 6 -2.066 -6.877 4.609 1.00 42.23 N ATOM 85 CA ILE A 6 -0.772 -6.206 4.619 1.00 20.42 C ATOM 86 C ILE A 6 0.204 -6.881 3.661 1.00 32.43 C ATOM 87 O ILE A 6 0.991 -6.214 2.989 1.00 23.30 O ATOM 88 CB ILE A 6 -0.159 -6.188 6.032 1.00 1.44 C ATOM 89 CG1 ILE A 6 -1.099 -5.480 7.010 1.00 62.22 C ATOM 90 CG2 ILE A 6 1.201 -5.506 6.009 1.00 61.42 C ATOM 91 CD1 ILE A 6 -0.821 -5.810 8.460 1.00 31.21 C ATOM 0 H ILE A 6 -2.366 -7.228 5.518 1.00 42.23 H new ATOM 0 HA ILE A 6 -0.945 -5.180 4.294 1.00 20.42 H new ATOM 0 HB ILE A 6 -0.024 -7.216 6.367 1.00 1.44 H new ATOM 0 HG12 ILE A 6 -1.014 -4.403 6.868 1.00 62.22 H new ATOM 0 HG13 ILE A 6 -2.128 -5.752 6.774 1.00 62.22 H new ATOM 0 HG21 ILE A 6 1.622 -5.501 7.014 1.00 61.42 H new ATOM 0 HG22 ILE A 6 1.868 -6.048 5.339 1.00 61.42 H new ATOM 0 HG23 ILE A 6 1.088 -4.480 5.657 1.00 61.42 H new ATOM 0 HD11 ILE A 6 -1.525 -5.273 9.097 1.00 31.21 H new ATOM 0 HD12 ILE A 6 -0.934 -6.883 8.617 1.00 31.21 H new ATOM 0 HD13 ILE A 6 0.197 -5.512 8.712 1.00 31.21 H new ATOM 103 N ASP A 7 0.147 -8.207 3.604 1.00 22.34 N ATOM 104 CA ASP A 7 1.024 -8.973 2.728 1.00 42.35 C ATOM 105 C ASP A 7 0.739 -8.658 1.263 1.00 11.50 C ATOM 106 O ASP A 7 1.658 -8.498 0.460 1.00 5.21 O ATOM 107 CB ASP A 7 0.853 -10.472 2.982 1.00 4.51 C ATOM 108 CG ASP A 7 2.021 -11.285 2.458 1.00 54.35 C ATOM 109 OD1 ASP A 7 3.135 -10.729 2.358 1.00 31.40 O ATOM 110 OD2 ASP A 7 1.820 -12.477 2.147 1.00 64.23 O ATOM 0 H ASP A 7 -0.498 -8.774 4.155 1.00 22.34 H new ATOM 0 HA ASP A 7 2.053 -8.690 2.949 1.00 42.35 H new ATOM 0 HB2 ASP A 7 0.744 -10.646 4.052 1.00 4.51 H new ATOM 0 HB3 ASP A 7 -0.067 -10.815 2.508 1.00 4.51 H new ATOM 115 N LYS A 8 -0.542 -8.570 0.921 1.00 1.53 N ATOM 116 CA LYS A 8 -0.950 -8.272 -0.448 1.00 74.43 C ATOM 117 C LYS A 8 -0.356 -6.950 -0.918 1.00 2.03 C ATOM 118 O LYS A 8 0.263 -6.879 -1.981 1.00 22.13 O ATOM 119 CB LYS A 8 -2.477 -8.221 -0.546 1.00 2.04 C ATOM 120 CG LYS A 8 -3.169 -9.417 0.086 1.00 45.40 C ATOM 121 CD LYS A 8 -4.376 -9.856 -0.726 1.00 15.14 C ATOM 122 CE LYS A 8 -3.960 -10.583 -1.995 1.00 61.01 C ATOM 123 NZ LYS A 8 -5.105 -11.294 -2.627 1.00 42.02 N ATOM 0 H LYS A 8 -1.316 -8.701 1.573 1.00 1.53 H new ATOM 0 HA LYS A 8 -0.576 -9.067 -1.093 1.00 74.43 H new ATOM 0 HB2 LYS A 8 -2.833 -7.310 -0.065 1.00 2.04 H new ATOM 0 HB3 LYS A 8 -2.763 -8.160 -1.596 1.00 2.04 H new ATOM 0 HG2 LYS A 8 -2.464 -10.245 0.169 1.00 45.40 H new ATOM 0 HG3 LYS A 8 -3.483 -9.164 1.099 1.00 45.40 H new ATOM 0 HD2 LYS A 8 -5.005 -10.509 -0.121 1.00 15.14 H new ATOM 0 HD3 LYS A 8 -4.978 -8.985 -0.985 1.00 15.14 H new ATOM 0 HE2 LYS A 8 -3.541 -9.868 -2.703 1.00 61.01 H new ATOM 0 HE3 LYS A 8 -3.172 -11.299 -1.762 1.00 61.01 H new ATOM 0 HZ1 LYS A 8 -4.781 -11.777 -3.489 1.00 42.02 H new ATOM 0 HZ2 LYS A 8 -5.489 -11.995 -1.961 1.00 42.02 H new ATOM 0 HZ3 LYS A 8 -5.847 -10.608 -2.873 1.00 42.02 H new ATOM 137 N VAL A 9 -0.544 -5.903 -0.121 1.00 74.40 N ATOM 138 CA VAL A 9 -0.023 -4.583 -0.454 1.00 42.32 C ATOM 139 C VAL A 9 1.501 -4.585 -0.486 1.00 63.03 C ATOM 140 O VAL A 9 2.113 -4.134 -1.454 1.00 43.24 O ATOM 141 CB VAL A 9 -0.503 -3.519 0.551 1.00 65.31 C ATOM 142 CG1 VAL A 9 -0.077 -2.130 0.103 1.00 12.13 C ATOM 143 CG2 VAL A 9 -2.013 -3.594 0.725 1.00 5.43 C ATOM 0 H VAL A 9 -1.054 -5.944 0.761 1.00 74.40 H new ATOM 0 HA VAL A 9 -0.404 -4.334 -1.444 1.00 42.32 H new ATOM 0 HB VAL A 9 -0.039 -3.720 1.516 1.00 65.31 H new ATOM 0 HG11 VAL A 9 -0.425 -1.392 0.826 1.00 12.13 H new ATOM 0 HG12 VAL A 9 1.010 -2.087 0.035 1.00 12.13 H new ATOM 0 HG13 VAL A 9 -0.510 -1.914 -0.874 1.00 12.13 H new ATOM 0 HG21 VAL A 9 -2.335 -2.835 1.438 1.00 5.43 H new ATOM 0 HG22 VAL A 9 -2.499 -3.419 -0.235 1.00 5.43 H new ATOM 0 HG23 VAL A 9 -2.288 -4.581 1.096 1.00 5.43 H new ATOM 153 N SER A 10 2.109 -5.098 0.579 1.00 64.34 N ATOM 154 CA SER A 10 3.563 -5.157 0.674 1.00 30.22 C ATOM 155 C SER A 10 4.163 -5.823 -0.560 1.00 53.54 C ATOM 156 O SER A 10 5.222 -5.423 -1.041 1.00 4.22 O ATOM 157 CB SER A 10 3.982 -5.921 1.933 1.00 11.21 C ATOM 158 OG SER A 10 4.195 -5.035 3.019 1.00 4.00 O ATOM 0 H SER A 10 1.618 -5.479 1.388 1.00 64.34 H new ATOM 0 HA SER A 10 3.939 -4.136 0.733 1.00 30.22 H new ATOM 0 HB2 SER A 10 3.211 -6.645 2.196 1.00 11.21 H new ATOM 0 HB3 SER A 10 4.894 -6.484 1.734 1.00 11.21 H new ATOM 0 HG SER A 10 4.460 -5.547 3.812 1.00 4.00 H new ATOM 164 N ASP A 11 3.475 -6.839 -1.069 1.00 44.33 N ATOM 165 CA ASP A 11 3.937 -7.560 -2.249 1.00 63.43 C ATOM 166 C ASP A 11 4.005 -6.635 -3.460 1.00 20.00 C ATOM 167 O ASP A 11 4.980 -6.654 -4.213 1.00 14.25 O ATOM 168 CB ASP A 11 3.012 -8.742 -2.547 1.00 33.23 C ATOM 169 CG ASP A 11 3.776 -9.994 -2.927 1.00 64.44 C ATOM 170 OD1 ASP A 11 4.137 -10.769 -2.017 1.00 10.02 O ATOM 171 OD2 ASP A 11 4.016 -10.200 -4.136 1.00 55.11 O ATOM 0 H ASP A 11 2.595 -7.182 -0.683 1.00 44.33 H new ATOM 0 HA ASP A 11 4.939 -7.936 -2.044 1.00 63.43 H new ATOM 0 HB2 ASP A 11 2.396 -8.947 -1.671 1.00 33.23 H new ATOM 0 HB3 ASP A 11 2.334 -8.474 -3.357 1.00 33.23 H new ATOM 176 N ILE A 12 2.966 -5.828 -3.641 1.00 74.43 N ATOM 177 CA ILE A 12 2.907 -4.896 -4.760 1.00 4.50 C ATOM 178 C ILE A 12 3.869 -3.731 -4.554 1.00 4.22 C ATOM 179 O ILE A 12 4.533 -3.286 -5.492 1.00 22.40 O ATOM 180 CB ILE A 12 1.484 -4.344 -4.959 1.00 3.41 C ATOM 181 CG1 ILE A 12 0.497 -5.489 -5.193 1.00 70.14 C ATOM 182 CG2 ILE A 12 1.454 -3.365 -6.125 1.00 63.43 C ATOM 183 CD1 ILE A 12 -0.767 -5.376 -4.370 1.00 33.04 C ATOM 0 H ILE A 12 2.152 -5.801 -3.026 1.00 74.43 H new ATOM 0 HA ILE A 12 3.198 -5.452 -5.651 1.00 4.50 H new ATOM 0 HB ILE A 12 1.187 -3.812 -4.055 1.00 3.41 H new ATOM 0 HG12 ILE A 12 0.231 -5.518 -6.250 1.00 70.14 H new ATOM 0 HG13 ILE A 12 0.988 -6.434 -4.961 1.00 70.14 H new ATOM 0 HG21 ILE A 12 0.441 -2.983 -6.253 1.00 63.43 H new ATOM 0 HG22 ILE A 12 2.131 -2.536 -5.921 1.00 63.43 H new ATOM 0 HG23 ILE A 12 1.768 -3.874 -7.036 1.00 63.43 H new ATOM 0 HD11 ILE A 12 -1.420 -6.221 -4.588 1.00 33.04 H new ATOM 0 HD12 ILE A 12 -0.512 -5.377 -3.310 1.00 33.04 H new ATOM 0 HD13 ILE A 12 -1.281 -4.448 -4.618 1.00 33.04 H new ATOM 195 N VAL A 13 3.941 -3.240 -3.321 1.00 12.01 N ATOM 196 CA VAL A 13 4.824 -2.127 -2.991 1.00 72.44 C ATOM 197 C VAL A 13 6.286 -2.517 -3.163 1.00 25.22 C ATOM 198 O VAL A 13 7.021 -1.896 -3.931 1.00 53.42 O ATOM 199 CB VAL A 13 4.600 -1.644 -1.545 1.00 54.45 C ATOM 200 CG1 VAL A 13 5.397 -0.376 -1.278 1.00 14.32 C ATOM 201 CG2 VAL A 13 3.118 -1.417 -1.284 1.00 14.41 C ATOM 0 H VAL A 13 3.398 -3.595 -2.534 1.00 12.01 H new ATOM 0 HA VAL A 13 4.584 -1.317 -3.679 1.00 72.44 H new ATOM 0 HB VAL A 13 4.952 -2.417 -0.862 1.00 54.45 H new ATOM 0 HG11 VAL A 13 5.227 -0.049 -0.252 1.00 14.32 H new ATOM 0 HG12 VAL A 13 6.459 -0.576 -1.424 1.00 14.32 H new ATOM 0 HG13 VAL A 13 5.077 0.406 -1.966 1.00 14.32 H new ATOM 0 HG21 VAL A 13 2.977 -1.076 -0.258 1.00 14.41 H new ATOM 0 HG22 VAL A 13 2.739 -0.662 -1.973 1.00 14.41 H new ATOM 0 HG23 VAL A 13 2.575 -2.350 -1.434 1.00 14.41 H new ATOM 211 N LYS A 14 6.707 -3.553 -2.444 1.00 33.42 N ATOM 212 CA LYS A 14 8.083 -4.029 -2.517 1.00 72.31 C ATOM 213 C LYS A 14 8.480 -4.323 -3.960 1.00 62.14 C ATOM 214 O LYS A 14 9.640 -4.164 -4.338 1.00 30.21 O ATOM 215 CB LYS A 14 8.255 -5.286 -1.662 1.00 63.13 C ATOM 216 CG LYS A 14 7.640 -6.531 -2.280 1.00 5.51 C ATOM 217 CD LYS A 14 7.405 -7.613 -1.239 1.00 4.30 C ATOM 218 CE LYS A 14 8.710 -8.065 -0.601 1.00 51.53 C ATOM 219 NZ LYS A 14 8.661 -9.496 -0.193 1.00 34.21 N ATOM 0 H LYS A 14 6.113 -4.079 -1.803 1.00 33.42 H new ATOM 0 HA LYS A 14 8.735 -3.244 -2.132 1.00 72.31 H new ATOM 0 HB2 LYS A 14 9.318 -5.460 -1.496 1.00 63.13 H new ATOM 0 HB3 LYS A 14 7.804 -5.115 -0.685 1.00 63.13 H new ATOM 0 HG2 LYS A 14 6.695 -6.272 -2.757 1.00 5.51 H new ATOM 0 HG3 LYS A 14 8.297 -6.913 -3.061 1.00 5.51 H new ATOM 0 HD2 LYS A 14 6.733 -7.238 -0.468 1.00 4.30 H new ATOM 0 HD3 LYS A 14 6.912 -8.466 -1.704 1.00 4.30 H new ATOM 0 HE2 LYS A 14 9.529 -7.916 -1.305 1.00 51.53 H new ATOM 0 HE3 LYS A 14 8.922 -7.446 0.271 1.00 51.53 H new ATOM 0 HZ1 LYS A 14 9.569 -9.766 0.237 1.00 34.21 H new ATOM 0 HZ2 LYS A 14 7.896 -9.634 0.498 1.00 34.21 H new ATOM 0 HZ3 LYS A 14 8.484 -10.089 -1.029 1.00 34.21 H new ATOM 233 N GLU A 15 7.509 -4.753 -4.761 1.00 0.14 N ATOM 234 CA GLU A 15 7.759 -5.068 -6.162 1.00 42.42 C ATOM 235 C GLU A 15 8.056 -3.802 -6.961 1.00 14.41 C ATOM 236 O GLU A 15 8.785 -3.835 -7.951 1.00 3.21 O ATOM 237 CB GLU A 15 6.557 -5.796 -6.767 1.00 60.32 C ATOM 238 CG GLU A 15 6.798 -6.301 -8.179 1.00 4.25 C ATOM 239 CD GLU A 15 5.565 -6.937 -8.790 1.00 61.12 C ATOM 240 OE1 GLU A 15 5.207 -8.059 -8.375 1.00 1.23 O ATOM 241 OE2 GLU A 15 4.956 -6.311 -9.685 1.00 23.41 O ATOM 0 H GLU A 15 6.543 -4.891 -4.463 1.00 0.14 H new ATOM 0 HA GLU A 15 8.631 -5.720 -6.210 1.00 42.42 H new ATOM 0 HB2 GLU A 15 6.295 -6.640 -6.128 1.00 60.32 H new ATOM 0 HB3 GLU A 15 5.700 -5.122 -6.773 1.00 60.32 H new ATOM 0 HG2 GLU A 15 7.123 -5.471 -8.807 1.00 4.25 H new ATOM 0 HG3 GLU A 15 7.609 -7.029 -8.167 1.00 4.25 H new ATOM 248 N LYS A 16 7.483 -2.685 -6.522 1.00 62.32 N ATOM 249 CA LYS A 16 7.684 -1.407 -7.194 1.00 70.43 C ATOM 250 C LYS A 16 8.994 -0.761 -6.752 1.00 41.15 C ATOM 251 O LYS A 16 9.575 0.046 -7.479 1.00 2.12 O ATOM 252 CB LYS A 16 6.515 -0.465 -6.902 1.00 75.40 C ATOM 253 CG LYS A 16 5.176 -0.981 -7.403 1.00 5.04 C ATOM 254 CD LYS A 16 4.933 -0.585 -8.849 1.00 3.51 C ATOM 255 CE LYS A 16 4.717 0.915 -8.988 1.00 32.41 C ATOM 256 NZ LYS A 16 5.935 1.607 -9.489 1.00 4.04 N ATOM 0 H LYS A 16 6.876 -2.640 -5.704 1.00 62.32 H new ATOM 0 HA LYS A 16 7.734 -1.592 -8.267 1.00 70.43 H new ATOM 0 HB2 LYS A 16 6.452 -0.301 -5.826 1.00 75.40 H new ATOM 0 HB3 LYS A 16 6.716 0.503 -7.361 1.00 75.40 H new ATOM 0 HG2 LYS A 16 5.146 -2.067 -7.312 1.00 5.04 H new ATOM 0 HG3 LYS A 16 4.376 -0.587 -6.777 1.00 5.04 H new ATOM 0 HD2 LYS A 16 5.784 -0.889 -9.458 1.00 3.51 H new ATOM 0 HD3 LYS A 16 4.061 -1.116 -9.231 1.00 3.51 H new ATOM 0 HE2 LYS A 16 3.888 1.101 -9.670 1.00 32.41 H new ATOM 0 HE3 LYS A 16 4.434 1.332 -8.022 1.00 32.41 H new ATOM 0 HZ1 LYS A 16 6.150 2.419 -8.876 1.00 4.04 H new ATOM 0 HZ2 LYS A 16 6.738 0.946 -9.482 1.00 4.04 H new ATOM 0 HZ3 LYS A 16 5.770 1.940 -10.460 1.00 4.04 H new ATOM 270 N LEU A 17 9.453 -1.122 -5.560 1.00 22.12 N ATOM 271 CA LEU A 17 10.696 -0.579 -5.023 1.00 22.23 C ATOM 272 C LEU A 17 11.865 -1.522 -5.291 1.00 52.43 C ATOM 273 O LEU A 17 13.026 -1.152 -5.122 1.00 34.21 O ATOM 274 CB LEU A 17 10.561 -0.333 -3.518 1.00 70.12 C ATOM 275 CG LEU A 17 9.428 0.600 -3.090 1.00 13.41 C ATOM 276 CD1 LEU A 17 9.492 0.866 -1.594 1.00 62.43 C ATOM 277 CD2 LEU A 17 9.492 1.908 -3.868 1.00 62.43 C ATOM 0 H LEU A 17 8.984 -1.788 -4.946 1.00 22.12 H new ATOM 0 HA LEU A 17 10.895 0.368 -5.525 1.00 22.23 H new ATOM 0 HB2 LEU A 17 10.419 -1.294 -3.024 1.00 70.12 H new ATOM 0 HB3 LEU A 17 11.502 0.078 -3.151 1.00 70.12 H new ATOM 0 HG LEU A 17 8.479 0.113 -3.312 1.00 13.41 H new ATOM 0 HD11 LEU A 17 8.678 1.532 -1.308 1.00 62.43 H new ATOM 0 HD12 LEU A 17 9.398 -0.075 -1.053 1.00 62.43 H new ATOM 0 HD13 LEU A 17 10.446 1.332 -1.348 1.00 62.43 H new ATOM 0 HD21 LEU A 17 8.678 2.560 -3.551 1.00 62.43 H new ATOM 0 HD22 LEU A 17 10.446 2.399 -3.677 1.00 62.43 H new ATOM 0 HD23 LEU A 17 9.397 1.702 -4.934 1.00 62.43 H new ATOM 289 N ALA A 18 11.548 -2.741 -5.715 1.00 53.22 N ATOM 290 CA ALA A 18 12.571 -3.736 -6.013 1.00 11.43 C ATOM 291 C ALA A 18 11.948 -5.022 -6.545 1.00 71.51 C ATOM 292 O ALA A 18 10.744 -5.082 -6.798 1.00 40.24 O ATOM 293 CB ALA A 18 13.403 -4.024 -4.772 1.00 63.44 C ATOM 0 H ALA A 18 10.591 -3.063 -5.860 1.00 53.22 H new ATOM 0 HA ALA A 18 13.222 -3.332 -6.788 1.00 11.43 H new ATOM 0 HB1 ALA A 18 14.163 -4.769 -5.008 1.00 63.44 H new ATOM 0 HB2 ALA A 18 13.886 -3.106 -4.437 1.00 63.44 H new ATOM 0 HB3 ALA A 18 12.757 -4.404 -3.981 1.00 63.44 H new ATOM 299 N LEU A 19 12.774 -6.048 -6.714 1.00 22.22 N ATOM 300 CA LEU A 19 12.304 -7.334 -7.216 1.00 45.34 C ATOM 301 C LEU A 19 11.567 -8.109 -6.129 1.00 34.02 C ATOM 302 O LEU A 19 10.762 -8.992 -6.419 1.00 24.21 O ATOM 303 CB LEU A 19 13.482 -8.161 -7.738 1.00 53.32 C ATOM 304 CG LEU A 19 14.347 -7.496 -8.808 1.00 60.24 C ATOM 305 CD1 LEU A 19 15.706 -8.173 -8.893 1.00 70.21 C ATOM 306 CD2 LEU A 19 13.647 -7.532 -10.159 1.00 32.11 C ATOM 0 H LEU A 19 13.773 -6.014 -6.511 1.00 22.22 H new ATOM 0 HA LEU A 19 11.609 -7.144 -8.034 1.00 45.34 H new ATOM 0 HB2 LEU A 19 14.120 -8.421 -6.893 1.00 53.32 H new ATOM 0 HB3 LEU A 19 13.093 -9.095 -8.143 1.00 53.32 H new ATOM 0 HG LEU A 19 14.499 -6.454 -8.527 1.00 60.24 H new ATOM 0 HD11 LEU A 19 16.308 -7.686 -9.660 1.00 70.21 H new ATOM 0 HD12 LEU A 19 16.212 -8.095 -7.931 1.00 70.21 H new ATOM 0 HD13 LEU A 19 15.573 -9.224 -9.149 1.00 70.21 H new ATOM 0 HD21 LEU A 19 14.278 -7.054 -10.908 1.00 32.11 H new ATOM 0 HD22 LEU A 19 13.463 -8.567 -10.446 1.00 32.11 H new ATOM 0 HD23 LEU A 19 12.698 -7.000 -10.091 1.00 32.11 H new ATOM 318 N GLY A 20 11.846 -7.767 -4.875 1.00 73.40 N ATOM 319 CA GLY A 20 11.199 -8.438 -3.762 1.00 62.11 C ATOM 320 C GLY A 20 12.057 -9.539 -3.170 1.00 11.20 C ATOM 321 O GLY A 20 11.646 -10.217 -2.230 1.00 21.43 O ATOM 0 H GLY A 20 12.508 -7.038 -4.610 1.00 73.40 H new ATOM 0 HA2 GLY A 20 10.966 -7.707 -2.987 1.00 62.11 H new ATOM 0 HA3 GLY A 20 10.252 -8.860 -4.097 1.00 62.11 H new ATOM 325 N ALA A 21 13.252 -9.717 -3.723 1.00 44.54 N ATOM 326 CA ALA A 21 14.171 -10.743 -3.245 1.00 74.44 C ATOM 327 C ALA A 21 15.237 -10.143 -2.335 1.00 72.22 C ATOM 328 O ALA A 21 15.625 -10.748 -1.334 1.00 4.10 O ATOM 329 CB ALA A 21 14.819 -11.461 -4.418 1.00 73.15 C ATOM 0 H ALA A 21 13.607 -9.164 -4.503 1.00 44.54 H new ATOM 0 HA ALA A 21 13.598 -11.466 -2.664 1.00 74.44 H new ATOM 0 HB1 ALA A 21 15.502 -12.224 -4.045 1.00 73.15 H new ATOM 0 HB2 ALA A 21 14.048 -11.931 -5.028 1.00 73.15 H new ATOM 0 HB3 ALA A 21 15.372 -10.743 -5.023 1.00 73.15 H new ATOM 335 N ASP A 22 15.708 -8.952 -2.688 1.00 62.14 N ATOM 336 CA ASP A 22 16.730 -8.270 -1.903 1.00 23.21 C ATOM 337 C ASP A 22 16.122 -7.129 -1.093 1.00 72.33 C ATOM 338 O ASP A 22 16.840 -6.302 -0.530 1.00 41.43 O ATOM 339 CB ASP A 22 17.832 -7.733 -2.817 1.00 73.41 C ATOM 340 CG ASP A 22 18.918 -8.757 -3.077 1.00 5.23 C ATOM 341 OD1 ASP A 22 19.624 -9.130 -2.117 1.00 5.33 O ATOM 342 OD2 ASP A 22 19.064 -9.185 -4.242 1.00 70.54 O ATOM 0 H ASP A 22 15.398 -8.439 -3.513 1.00 62.14 H new ATOM 0 HA ASP A 22 17.163 -8.992 -1.211 1.00 23.21 H new ATOM 0 HB2 ASP A 22 17.394 -7.423 -3.766 1.00 73.41 H new ATOM 0 HB3 ASP A 22 18.274 -6.845 -2.365 1.00 73.41 H new ATOM 347 N VAL A 23 14.794 -7.090 -1.040 1.00 33.34 N ATOM 348 CA VAL A 23 14.089 -6.050 -0.300 1.00 31.34 C ATOM 349 C VAL A 23 13.022 -6.650 0.609 1.00 60.34 C ATOM 350 O VAL A 23 12.307 -7.573 0.219 1.00 74.05 O ATOM 351 CB VAL A 23 13.427 -5.035 -1.249 1.00 44.43 C ATOM 352 CG1 VAL A 23 12.296 -5.690 -2.026 1.00 53.31 C ATOM 353 CG2 VAL A 23 12.924 -3.828 -0.473 1.00 70.21 C ATOM 0 H VAL A 23 14.185 -7.766 -1.501 1.00 33.34 H new ATOM 0 HA VAL A 23 14.833 -5.535 0.308 1.00 31.34 H new ATOM 0 HB VAL A 23 14.175 -4.691 -1.964 1.00 44.43 H new ATOM 0 HG11 VAL A 23 11.840 -4.957 -2.692 1.00 53.31 H new ATOM 0 HG12 VAL A 23 12.691 -6.518 -2.614 1.00 53.31 H new ATOM 0 HG13 VAL A 23 11.545 -6.065 -1.330 1.00 53.31 H new ATOM 0 HG21 VAL A 23 12.459 -3.121 -1.161 1.00 70.21 H new ATOM 0 HG22 VAL A 23 12.191 -4.151 0.266 1.00 70.21 H new ATOM 0 HG23 VAL A 23 13.761 -3.346 0.032 1.00 70.21 H new ATOM 363 N VAL A 24 12.920 -6.120 1.824 1.00 12.01 N ATOM 364 CA VAL A 24 11.939 -6.602 2.789 1.00 55.54 C ATOM 365 C VAL A 24 11.029 -5.471 3.259 1.00 42.22 C ATOM 366 O VAL A 24 11.495 -4.470 3.802 1.00 21.51 O ATOM 367 CB VAL A 24 12.621 -7.240 4.013 1.00 53.42 C ATOM 368 CG1 VAL A 24 13.603 -6.265 4.645 1.00 42.20 C ATOM 369 CG2 VAL A 24 11.581 -7.693 5.025 1.00 32.33 C ATOM 0 H VAL A 24 13.505 -5.356 2.163 1.00 12.01 H new ATOM 0 HA VAL A 24 11.341 -7.359 2.281 1.00 55.54 H new ATOM 0 HB VAL A 24 13.178 -8.116 3.682 1.00 53.42 H new ATOM 0 HG11 VAL A 24 14.076 -6.733 5.509 1.00 42.20 H new ATOM 0 HG12 VAL A 24 14.367 -5.994 3.916 1.00 42.20 H new ATOM 0 HG13 VAL A 24 13.071 -5.368 4.964 1.00 42.20 H new ATOM 0 HG21 VAL A 24 12.080 -8.142 5.884 1.00 32.33 H new ATOM 0 HG22 VAL A 24 10.995 -6.835 5.354 1.00 32.33 H new ATOM 0 HG23 VAL A 24 10.921 -8.428 4.564 1.00 32.33 H new ATOM 379 N VAL A 25 9.728 -5.639 3.045 1.00 1.24 N ATOM 380 CA VAL A 25 8.752 -4.633 3.448 1.00 2.20 C ATOM 381 C VAL A 25 7.824 -5.171 4.531 1.00 70.21 C ATOM 382 O VAL A 25 7.316 -6.289 4.431 1.00 15.40 O ATOM 383 CB VAL A 25 7.906 -4.161 2.251 1.00 32.31 C ATOM 384 CG1 VAL A 25 6.886 -3.122 2.694 1.00 23.33 C ATOM 385 CG2 VAL A 25 8.800 -3.607 1.153 1.00 43.54 C ATOM 0 H VAL A 25 9.326 -6.461 2.595 1.00 1.24 H new ATOM 0 HA VAL A 25 9.314 -3.787 3.843 1.00 2.20 H new ATOM 0 HB VAL A 25 7.365 -5.018 1.850 1.00 32.31 H new ATOM 0 HG11 VAL A 25 6.298 -2.800 1.835 1.00 23.33 H new ATOM 0 HG12 VAL A 25 6.225 -3.557 3.444 1.00 23.33 H new ATOM 0 HG13 VAL A 25 7.404 -2.263 3.121 1.00 23.33 H new ATOM 0 HG21 VAL A 25 8.186 -3.278 0.315 1.00 43.54 H new ATOM 0 HG22 VAL A 25 9.369 -2.762 1.539 1.00 43.54 H new ATOM 0 HG23 VAL A 25 9.487 -4.384 0.817 1.00 43.54 H new ATOM 395 N THR A 26 7.606 -4.369 5.568 1.00 31.44 N ATOM 396 CA THR A 26 6.740 -4.765 6.672 1.00 14.21 C ATOM 397 C THR A 26 5.706 -3.685 6.973 1.00 21.15 C ATOM 398 O THR A 26 5.727 -2.608 6.378 1.00 44.01 O ATOM 399 CB THR A 26 7.552 -5.052 7.949 1.00 13.53 C ATOM 400 OG1 THR A 26 8.723 -4.228 7.980 1.00 61.33 O ATOM 401 CG2 THR A 26 7.954 -6.517 8.015 1.00 4.01 C ATOM 0 H THR A 26 8.017 -3.441 5.667 1.00 31.44 H new ATOM 0 HA THR A 26 6.230 -5.677 6.362 1.00 14.21 H new ATOM 0 HB THR A 26 6.926 -4.824 8.812 1.00 13.53 H new ATOM 0 HG1 THR A 26 9.233 -4.415 8.796 1.00 61.33 H new ATOM 0 HG21 THR A 26 8.526 -6.697 8.925 1.00 4.01 H new ATOM 0 HG22 THR A 26 7.060 -7.140 8.020 1.00 4.01 H new ATOM 0 HG23 THR A 26 8.565 -6.766 7.147 1.00 4.01 H new ATOM 409 N ALA A 27 4.803 -3.980 7.902 1.00 61.32 N ATOM 410 CA ALA A 27 3.762 -3.033 8.284 1.00 23.31 C ATOM 411 C ALA A 27 4.357 -1.820 8.991 1.00 42.01 C ATOM 412 O ALA A 27 3.766 -0.739 8.993 1.00 63.45 O ATOM 413 CB ALA A 27 2.731 -3.713 9.174 1.00 4.54 C ATOM 0 H ALA A 27 4.771 -4.867 8.404 1.00 61.32 H new ATOM 0 HA ALA A 27 3.269 -2.686 7.376 1.00 23.31 H new ATOM 0 HB1 ALA A 27 1.960 -2.995 9.452 1.00 4.54 H new ATOM 0 HB2 ALA A 27 2.276 -4.544 8.635 1.00 4.54 H new ATOM 0 HB3 ALA A 27 3.218 -4.088 10.074 1.00 4.54 H new ATOM 419 N ASP A 28 5.528 -2.006 9.590 1.00 33.22 N ATOM 420 CA ASP A 28 6.203 -0.925 10.300 1.00 61.25 C ATOM 421 C ASP A 28 7.080 -0.114 9.351 1.00 64.14 C ATOM 422 O ASP A 28 7.438 1.026 9.642 1.00 73.24 O ATOM 423 CB ASP A 28 7.051 -1.488 11.441 1.00 32.32 C ATOM 424 CG ASP A 28 7.270 -0.479 12.552 1.00 63.22 C ATOM 425 OD1 ASP A 28 6.396 0.391 12.744 1.00 53.04 O ATOM 426 OD2 ASP A 28 8.316 -0.560 13.229 1.00 21.41 O ATOM 0 H ASP A 28 6.029 -2.894 9.598 1.00 33.22 H new ATOM 0 HA ASP A 28 5.441 -0.265 10.714 1.00 61.25 H new ATOM 0 HB2 ASP A 28 6.564 -2.374 11.849 1.00 32.32 H new ATOM 0 HB3 ASP A 28 8.016 -1.808 11.049 1.00 32.32 H new ATOM 431 N SER A 29 7.422 -0.713 8.215 1.00 44.25 N ATOM 432 CA SER A 29 8.262 -0.049 7.223 1.00 14.31 C ATOM 433 C SER A 29 7.507 1.095 6.552 1.00 33.12 C ATOM 434 O SER A 29 6.378 0.924 6.096 1.00 55.25 O ATOM 435 CB SER A 29 8.733 -1.052 6.169 1.00 12.22 C ATOM 436 OG SER A 29 7.797 -1.156 5.110 1.00 22.51 O ATOM 0 H SER A 29 7.131 -1.656 7.958 1.00 44.25 H new ATOM 0 HA SER A 29 9.131 0.363 7.735 1.00 14.31 H new ATOM 0 HB2 SER A 29 9.701 -0.742 5.774 1.00 12.22 H new ATOM 0 HB3 SER A 29 8.875 -2.029 6.630 1.00 12.22 H new ATOM 0 HG SER A 29 7.009 -1.651 5.417 1.00 22.51 H new ATOM 442 N GLU A 30 8.142 2.262 6.498 1.00 40.13 N ATOM 443 CA GLU A 30 7.531 3.435 5.883 1.00 32.32 C ATOM 444 C GLU A 30 7.942 3.559 4.419 1.00 11.21 C ATOM 445 O GLU A 30 9.108 3.373 4.073 1.00 5.52 O ATOM 446 CB GLU A 30 7.926 4.702 6.645 1.00 65.23 C ATOM 447 CG GLU A 30 7.626 4.636 8.133 1.00 12.22 C ATOM 448 CD GLU A 30 7.573 6.007 8.778 1.00 20.12 C ATOM 449 OE1 GLU A 30 7.312 6.992 8.056 1.00 14.44 O ATOM 450 OE2 GLU A 30 7.793 6.097 10.004 1.00 65.44 O ATOM 0 H GLU A 30 9.078 2.420 6.872 1.00 40.13 H new ATOM 0 HA GLU A 30 6.449 3.315 5.929 1.00 32.32 H new ATOM 0 HB2 GLU A 30 8.992 4.882 6.506 1.00 65.23 H new ATOM 0 HB3 GLU A 30 7.400 5.554 6.214 1.00 65.23 H new ATOM 0 HG2 GLU A 30 6.673 4.130 8.286 1.00 12.22 H new ATOM 0 HG3 GLU A 30 8.389 4.035 8.628 1.00 12.22 H new ATOM 457 N PHE A 31 6.976 3.873 3.564 1.00 54.13 N ATOM 458 CA PHE A 31 7.236 4.021 2.136 1.00 72.21 C ATOM 459 C PHE A 31 8.396 4.981 1.892 1.00 13.50 C ATOM 460 O PHE A 31 9.138 4.839 0.919 1.00 34.44 O ATOM 461 CB PHE A 31 5.982 4.523 1.417 1.00 33.43 C ATOM 462 CG PHE A 31 4.801 3.605 1.558 1.00 32.10 C ATOM 463 CD1 PHE A 31 4.815 2.345 0.984 1.00 51.10 C ATOM 464 CD2 PHE A 31 3.678 4.004 2.265 1.00 42.50 C ATOM 465 CE1 PHE A 31 3.730 1.498 1.112 1.00 63.14 C ATOM 466 CE2 PHE A 31 2.590 3.161 2.396 1.00 5.42 C ATOM 467 CZ PHE A 31 2.616 1.907 1.819 1.00 44.14 C ATOM 0 H PHE A 31 6.005 4.030 3.834 1.00 54.13 H new ATOM 0 HA PHE A 31 7.507 3.043 1.737 1.00 72.21 H new ATOM 0 HB2 PHE A 31 5.717 5.505 1.809 1.00 33.43 H new ATOM 0 HB3 PHE A 31 6.207 4.652 0.358 1.00 33.43 H new ATOM 0 HD1 PHE A 31 5.683 2.020 0.430 1.00 51.10 H new ATOM 0 HD2 PHE A 31 3.652 4.984 2.718 1.00 42.50 H new ATOM 0 HE1 PHE A 31 3.753 0.518 0.660 1.00 63.14 H new ATOM 0 HE2 PHE A 31 1.720 3.483 2.949 1.00 5.42 H new ATOM 0 HZ PHE A 31 1.767 1.247 1.920 1.00 44.14 H new ATOM 477 N SER A 32 8.544 5.959 2.780 1.00 63.35 N ATOM 478 CA SER A 32 9.611 6.946 2.658 1.00 62.31 C ATOM 479 C SER A 32 10.952 6.351 3.077 1.00 71.34 C ATOM 480 O SER A 32 11.992 6.668 2.501 1.00 64.34 O ATOM 481 CB SER A 32 9.296 8.175 3.513 1.00 31.44 C ATOM 482 OG SER A 32 7.901 8.412 3.571 1.00 75.00 O ATOM 0 H SER A 32 7.939 6.089 3.591 1.00 63.35 H new ATOM 0 HA SER A 32 9.678 7.246 1.612 1.00 62.31 H new ATOM 0 HB2 SER A 32 9.686 8.030 4.521 1.00 31.44 H new ATOM 0 HB3 SER A 32 9.799 9.049 3.099 1.00 31.44 H new ATOM 0 HG SER A 32 7.726 9.202 4.125 1.00 75.00 H new ATOM 488 N LYS A 33 10.919 5.485 4.085 1.00 33.02 N ATOM 489 CA LYS A 33 12.130 4.843 4.583 1.00 12.32 C ATOM 490 C LYS A 33 12.578 3.727 3.645 1.00 32.23 C ATOM 491 O LYS A 33 13.771 3.445 3.526 1.00 41.15 O ATOM 492 CB LYS A 33 11.894 4.281 5.987 1.00 55.41 C ATOM 493 CG LYS A 33 12.294 5.235 7.099 1.00 75.11 C ATOM 494 CD LYS A 33 12.689 4.486 8.361 1.00 44.44 C ATOM 495 CE LYS A 33 11.494 4.262 9.273 1.00 73.32 C ATOM 496 NZ LYS A 33 10.806 2.973 8.982 1.00 24.32 N ATOM 0 H LYS A 33 10.066 5.212 4.573 1.00 33.02 H new ATOM 0 HA LYS A 33 12.918 5.595 4.628 1.00 12.32 H new ATOM 0 HB2 LYS A 33 10.839 4.031 6.096 1.00 55.41 H new ATOM 0 HB3 LYS A 33 12.455 3.353 6.097 1.00 55.41 H new ATOM 0 HG2 LYS A 33 13.127 5.854 6.766 1.00 75.11 H new ATOM 0 HG3 LYS A 33 11.465 5.908 7.318 1.00 75.11 H new ATOM 0 HD2 LYS A 33 13.128 3.525 8.093 1.00 44.44 H new ATOM 0 HD3 LYS A 33 13.455 5.049 8.895 1.00 44.44 H new ATOM 0 HE2 LYS A 33 11.824 4.271 10.312 1.00 73.32 H new ATOM 0 HE3 LYS A 33 10.789 5.085 9.155 1.00 73.32 H new ATOM 0 HZ1 LYS A 33 9.949 2.897 9.566 1.00 24.32 H new ATOM 0 HZ2 LYS A 33 10.544 2.939 7.976 1.00 24.32 H new ATOM 0 HZ3 LYS A 33 11.445 2.182 9.200 1.00 24.32 H new ATOM 510 N LEU A 34 11.616 3.096 2.981 1.00 74.21 N ATOM 511 CA LEU A 34 11.912 2.011 2.052 1.00 72.41 C ATOM 512 C LEU A 34 12.673 2.528 0.835 1.00 33.23 C ATOM 513 O LEU A 34 13.342 1.766 0.139 1.00 31.23 O ATOM 514 CB LEU A 34 10.618 1.328 1.606 1.00 21.22 C ATOM 515 CG LEU A 34 9.879 0.526 2.677 1.00 63.51 C ATOM 516 CD1 LEU A 34 8.645 -0.141 2.089 1.00 24.13 C ATOM 517 CD2 LEU A 34 10.803 -0.513 3.297 1.00 25.52 C ATOM 0 H LEU A 34 10.624 3.317 3.069 1.00 74.21 H new ATOM 0 HA LEU A 34 12.540 1.285 2.568 1.00 72.41 H new ATOM 0 HB2 LEU A 34 9.942 2.091 1.221 1.00 21.22 H new ATOM 0 HB3 LEU A 34 10.850 0.660 0.776 1.00 21.22 H new ATOM 0 HG LEU A 34 9.558 1.213 3.460 1.00 63.51 H new ATOM 0 HD11 LEU A 34 8.132 -0.707 2.866 1.00 24.13 H new ATOM 0 HD12 LEU A 34 7.974 0.621 1.692 1.00 24.13 H new ATOM 0 HD13 LEU A 34 8.943 -0.815 1.286 1.00 24.13 H new ATOM 0 HD21 LEU A 34 10.261 -1.075 4.057 1.00 25.52 H new ATOM 0 HD22 LEU A 34 11.154 -1.196 2.523 1.00 25.52 H new ATOM 0 HD23 LEU A 34 11.657 -0.014 3.755 1.00 25.52 H new ATOM 529 N GLY A 35 12.566 3.830 0.587 1.00 44.20 N ATOM 530 CA GLY A 35 13.251 4.427 -0.545 1.00 54.32 C ATOM 531 C GLY A 35 12.290 4.952 -1.593 1.00 51.42 C ATOM 532 O GLY A 35 12.704 5.581 -2.566 1.00 64.12 O ATOM 0 H GLY A 35 12.018 4.481 1.149 1.00 44.20 H new ATOM 0 HA2 GLY A 35 13.883 5.243 -0.194 1.00 54.32 H new ATOM 0 HA3 GLY A 35 13.910 3.687 -0.999 1.00 54.32 H new ATOM 536 N ALA A 36 11.002 4.692 -1.395 1.00 53.43 N ATOM 537 CA ALA A 36 9.979 5.144 -2.331 1.00 52.33 C ATOM 538 C ALA A 36 9.918 6.666 -2.387 1.00 31.35 C ATOM 539 O ALA A 36 9.488 7.315 -1.432 1.00 42.02 O ATOM 540 CB ALA A 36 8.622 4.573 -1.945 1.00 54.51 C ATOM 0 H ALA A 36 10.642 4.171 -0.595 1.00 53.43 H new ATOM 0 HA ALA A 36 10.245 4.782 -3.324 1.00 52.33 H new ATOM 0 HB1 ALA A 36 7.868 4.918 -2.652 1.00 54.51 H new ATOM 0 HB2 ALA A 36 8.666 3.484 -1.965 1.00 54.51 H new ATOM 0 HB3 ALA A 36 8.359 4.907 -0.941 1.00 54.51 H new ATOM 546 N ASP A 37 10.352 7.230 -3.508 1.00 14.23 N ATOM 547 CA ASP A 37 10.347 8.678 -3.687 1.00 0.34 C ATOM 548 C ASP A 37 8.930 9.191 -3.924 1.00 50.30 C ATOM 549 O ASP A 37 7.961 8.440 -3.813 1.00 35.05 O ATOM 550 CB ASP A 37 11.248 9.071 -4.859 1.00 31.03 C ATOM 551 CG ASP A 37 12.674 8.590 -4.680 1.00 71.33 C ATOM 552 OD1 ASP A 37 12.964 7.439 -5.067 1.00 43.24 O ATOM 553 OD2 ASP A 37 13.501 9.363 -4.151 1.00 71.34 O ATOM 0 H ASP A 37 10.712 6.707 -4.307 1.00 14.23 H new ATOM 0 HA ASP A 37 10.731 9.134 -2.775 1.00 0.34 H new ATOM 0 HB2 ASP A 37 10.841 8.656 -5.781 1.00 31.03 H new ATOM 0 HB3 ASP A 37 11.245 10.156 -4.968 1.00 31.03 H new ATOM 558 N SER A 38 8.819 10.475 -4.249 1.00 54.35 N ATOM 559 CA SER A 38 7.519 11.090 -4.498 1.00 22.45 C ATOM 560 C SER A 38 6.864 10.495 -5.740 1.00 20.22 C ATOM 561 O SER A 38 5.644 10.338 -5.798 1.00 64.23 O ATOM 562 CB SER A 38 7.672 12.604 -4.663 1.00 75.44 C ATOM 563 OG SER A 38 6.451 13.271 -4.392 1.00 72.23 O ATOM 0 H SER A 38 9.612 11.109 -4.346 1.00 54.35 H new ATOM 0 HA SER A 38 6.878 10.887 -3.640 1.00 22.45 H new ATOM 0 HB2 SER A 38 8.447 12.970 -3.990 1.00 75.44 H new ATOM 0 HB3 SER A 38 7.997 12.832 -5.678 1.00 75.44 H new ATOM 0 HG SER A 38 6.574 14.237 -4.503 1.00 72.23 H new ATOM 569 N LEU A 39 7.683 10.165 -6.732 1.00 62.31 N ATOM 570 CA LEU A 39 7.186 9.586 -7.975 1.00 54.11 C ATOM 571 C LEU A 39 6.879 8.102 -7.801 1.00 71.51 C ATOM 572 O LEU A 39 6.046 7.542 -8.513 1.00 72.42 O ATOM 573 CB LEU A 39 8.208 9.779 -9.096 1.00 63.22 C ATOM 574 CG LEU A 39 8.876 11.152 -9.168 1.00 62.21 C ATOM 575 CD1 LEU A 39 10.046 11.128 -10.139 1.00 73.21 C ATOM 576 CD2 LEU A 39 7.865 12.216 -9.573 1.00 63.12 C ATOM 0 H LEU A 39 8.695 10.289 -6.700 1.00 62.31 H new ATOM 0 HA LEU A 39 6.263 10.100 -8.242 1.00 54.11 H new ATOM 0 HB2 LEU A 39 8.986 9.024 -8.984 1.00 63.22 H new ATOM 0 HB3 LEU A 39 7.713 9.588 -10.048 1.00 63.22 H new ATOM 0 HG LEU A 39 9.259 11.400 -8.178 1.00 62.21 H new ATOM 0 HD11 LEU A 39 10.508 12.114 -10.176 1.00 73.21 H new ATOM 0 HD12 LEU A 39 10.781 10.395 -9.805 1.00 73.21 H new ATOM 0 HD13 LEU A 39 9.689 10.857 -11.133 1.00 73.21 H new ATOM 0 HD21 LEU A 39 8.358 13.187 -9.619 1.00 63.12 H new ATOM 0 HD22 LEU A 39 7.452 11.972 -10.552 1.00 63.12 H new ATOM 0 HD23 LEU A 39 7.061 12.252 -8.838 1.00 63.12 H new ATOM 588 N ASP A 40 7.556 7.472 -6.847 1.00 71.33 N ATOM 589 CA ASP A 40 7.353 6.053 -6.576 1.00 51.01 C ATOM 590 C ASP A 40 6.126 5.838 -5.697 1.00 34.02 C ATOM 591 O ASP A 40 5.236 5.055 -6.033 1.00 1.14 O ATOM 592 CB ASP A 40 8.590 5.460 -5.900 1.00 44.13 C ATOM 593 CG ASP A 40 9.061 4.184 -6.571 1.00 14.33 C ATOM 594 OD1 ASP A 40 8.322 3.178 -6.516 1.00 13.15 O ATOM 595 OD2 ASP A 40 10.167 4.192 -7.150 1.00 63.41 O ATOM 0 H ASP A 40 8.250 7.921 -6.249 1.00 71.33 H new ATOM 0 HA ASP A 40 7.189 5.546 -7.527 1.00 51.01 H new ATOM 0 HB2 ASP A 40 9.396 6.194 -5.915 1.00 44.13 H new ATOM 0 HB3 ASP A 40 8.365 5.255 -4.853 1.00 44.13 H new ATOM 600 N THR A 41 6.083 6.538 -4.566 1.00 44.04 N ATOM 601 CA THR A 41 4.966 6.422 -3.637 1.00 40.45 C ATOM 602 C THR A 41 3.631 6.526 -4.366 1.00 61.34 C ATOM 603 O THR A 41 2.757 5.674 -4.206 1.00 23.01 O ATOM 604 CB THR A 41 5.028 7.508 -2.547 1.00 72.43 C ATOM 605 OG1 THR A 41 6.274 7.427 -1.846 1.00 72.31 O ATOM 606 CG2 THR A 41 3.877 7.353 -1.564 1.00 22.15 C ATOM 0 H THR A 41 6.809 7.191 -4.272 1.00 44.04 H new ATOM 0 HA THR A 41 5.045 5.441 -3.168 1.00 40.45 H new ATOM 0 HB THR A 41 4.945 8.482 -3.029 1.00 72.43 H new ATOM 0 HG1 THR A 41 6.988 7.800 -2.404 1.00 72.31 H new ATOM 0 HG21 THR A 41 3.941 8.131 -0.803 1.00 22.15 H new ATOM 0 HG22 THR A 41 2.930 7.443 -2.096 1.00 22.15 H new ATOM 0 HG23 THR A 41 3.934 6.374 -1.088 1.00 22.15 H new ATOM 614 N VAL A 42 3.481 7.574 -5.169 1.00 11.01 N ATOM 615 CA VAL A 42 2.252 7.788 -5.925 1.00 33.42 C ATOM 616 C VAL A 42 1.881 6.549 -6.732 1.00 32.43 C ATOM 617 O VAL A 42 0.702 6.234 -6.896 1.00 31.43 O ATOM 618 CB VAL A 42 2.382 8.990 -6.880 1.00 4.13 C ATOM 619 CG1 VAL A 42 3.548 8.787 -7.837 1.00 35.42 C ATOM 620 CG2 VAL A 42 1.086 9.205 -7.644 1.00 11.22 C ATOM 0 H VAL A 42 4.195 8.288 -5.313 1.00 11.01 H new ATOM 0 HA VAL A 42 1.466 7.994 -5.199 1.00 33.42 H new ATOM 0 HB VAL A 42 2.580 9.883 -6.288 1.00 4.13 H new ATOM 0 HG11 VAL A 42 3.625 9.646 -8.504 1.00 35.42 H new ATOM 0 HG12 VAL A 42 4.472 8.686 -7.268 1.00 35.42 H new ATOM 0 HG13 VAL A 42 3.383 7.884 -8.425 1.00 35.42 H new ATOM 0 HG21 VAL A 42 1.196 10.058 -8.314 1.00 11.22 H new ATOM 0 HG22 VAL A 42 0.855 8.313 -8.227 1.00 11.22 H new ATOM 0 HG23 VAL A 42 0.276 9.398 -6.940 1.00 11.22 H new ATOM 630 N GLU A 43 2.895 5.851 -7.234 1.00 75.43 N ATOM 631 CA GLU A 43 2.673 4.646 -8.023 1.00 44.34 C ATOM 632 C GLU A 43 2.254 3.479 -7.133 1.00 1.33 C ATOM 633 O GLU A 43 1.539 2.577 -7.569 1.00 2.02 O ATOM 634 CB GLU A 43 3.939 4.280 -8.801 1.00 61.21 C ATOM 635 CG GLU A 43 3.685 3.971 -10.267 1.00 12.10 C ATOM 636 CD GLU A 43 4.879 4.289 -11.146 1.00 22.31 C ATOM 637 OE1 GLU A 43 5.384 5.429 -11.072 1.00 52.00 O ATOM 638 OE2 GLU A 43 5.310 3.398 -11.907 1.00 73.03 O ATOM 0 H GLU A 43 3.876 6.099 -7.108 1.00 75.43 H new ATOM 0 HA GLU A 43 1.866 4.848 -8.728 1.00 44.34 H new ATOM 0 HB2 GLU A 43 4.650 5.103 -8.730 1.00 61.21 H new ATOM 0 HB3 GLU A 43 4.406 3.414 -8.332 1.00 61.21 H new ATOM 0 HG2 GLU A 43 3.431 2.916 -10.373 1.00 12.10 H new ATOM 0 HG3 GLU A 43 2.823 4.543 -10.611 1.00 12.10 H new ATOM 645 N ILE A 44 2.706 3.505 -5.884 1.00 5.31 N ATOM 646 CA ILE A 44 2.379 2.452 -4.932 1.00 21.34 C ATOM 647 C ILE A 44 0.872 2.352 -4.717 1.00 44.43 C ATOM 648 O ILE A 44 0.316 1.257 -4.649 1.00 75.43 O ATOM 649 CB ILE A 44 3.065 2.688 -3.573 1.00 31.34 C ATOM 650 CG1 ILE A 44 4.573 2.856 -3.761 1.00 24.01 C ATOM 651 CG2 ILE A 44 2.769 1.537 -2.623 1.00 71.53 C ATOM 652 CD1 ILE A 44 5.200 1.781 -4.621 1.00 55.41 C ATOM 0 H ILE A 44 3.300 4.244 -5.508 1.00 5.31 H new ATOM 0 HA ILE A 44 2.746 1.518 -5.358 1.00 21.34 H new ATOM 0 HB ILE A 44 2.668 3.605 -3.137 1.00 31.34 H new ATOM 0 HG12 ILE A 44 4.768 3.829 -4.211 1.00 24.01 H new ATOM 0 HG13 ILE A 44 5.055 2.854 -2.783 1.00 24.01 H new ATOM 0 HG21 ILE A 44 3.261 1.718 -1.667 1.00 71.53 H new ATOM 0 HG22 ILE A 44 1.693 1.460 -2.469 1.00 71.53 H new ATOM 0 HG23 ILE A 44 3.141 0.607 -3.052 1.00 71.53 H new ATOM 0 HD11 ILE A 44 6.271 1.965 -4.710 1.00 55.41 H new ATOM 0 HD12 ILE A 44 5.036 0.806 -4.162 1.00 55.41 H new ATOM 0 HD13 ILE A 44 4.745 1.796 -5.612 1.00 55.41 H new ATOM 664 N VAL A 45 0.218 3.505 -4.614 1.00 51.44 N ATOM 665 CA VAL A 45 -1.225 3.549 -4.412 1.00 72.14 C ATOM 666 C VAL A 45 -1.971 3.189 -5.692 1.00 52.11 C ATOM 667 O VAL A 45 -2.848 2.325 -5.690 1.00 21.44 O ATOM 668 CB VAL A 45 -1.683 4.940 -3.936 1.00 40.22 C ATOM 669 CG1 VAL A 45 -3.139 4.902 -3.496 1.00 21.51 C ATOM 670 CG2 VAL A 45 -0.790 5.439 -2.811 1.00 41.41 C ATOM 0 H VAL A 45 0.665 4.420 -4.667 1.00 51.44 H new ATOM 0 HA VAL A 45 -1.459 2.815 -3.641 1.00 72.14 H new ATOM 0 HB VAL A 45 -1.599 5.636 -4.771 1.00 40.22 H new ATOM 0 HG11 VAL A 45 -3.444 5.894 -3.163 1.00 21.51 H new ATOM 0 HG12 VAL A 45 -3.764 4.592 -4.333 1.00 21.51 H new ATOM 0 HG13 VAL A 45 -3.253 4.193 -2.676 1.00 21.51 H new ATOM 0 HG21 VAL A 45 -1.128 6.423 -2.487 1.00 41.41 H new ATOM 0 HG22 VAL A 45 -0.839 4.744 -1.972 1.00 41.41 H new ATOM 0 HG23 VAL A 45 0.238 5.508 -3.166 1.00 41.41 H new ATOM 680 N MET A 46 -1.618 3.859 -6.784 1.00 71.11 N ATOM 681 CA MET A 46 -2.253 3.609 -8.073 1.00 14.14 C ATOM 682 C MET A 46 -2.237 2.122 -8.407 1.00 65.32 C ATOM 683 O MET A 46 -3.148 1.612 -9.056 1.00 74.23 O ATOM 684 CB MET A 46 -1.548 4.401 -9.175 1.00 22.13 C ATOM 685 CG MET A 46 -2.284 4.379 -10.505 1.00 23.44 C ATOM 686 SD MET A 46 -2.265 5.980 -11.335 1.00 41.23 S ATOM 687 CE MET A 46 -0.545 6.441 -11.142 1.00 14.01 C ATOM 0 H MET A 46 -0.896 4.579 -6.802 1.00 71.11 H new ATOM 0 HA MET A 46 -3.291 3.937 -8.009 1.00 14.14 H new ATOM 0 HB2 MET A 46 -1.432 5.435 -8.850 1.00 22.13 H new ATOM 0 HB3 MET A 46 -0.546 3.997 -9.317 1.00 22.13 H new ATOM 0 HG2 MET A 46 -1.829 3.631 -11.155 1.00 23.44 H new ATOM 0 HG3 MET A 46 -3.317 4.072 -10.340 1.00 23.44 H new ATOM 0 HE1 MET A 46 -0.239 7.063 -11.983 1.00 14.01 H new ATOM 0 HE2 MET A 46 -0.420 6.998 -10.214 1.00 14.01 H new ATOM 0 HE3 MET A 46 0.071 5.542 -11.112 1.00 14.01 H new ATOM 697 N ASN A 47 -1.192 1.431 -7.961 1.00 41.11 N ATOM 698 CA ASN A 47 -1.056 0.002 -8.215 1.00 62.45 C ATOM 699 C ASN A 47 -2.059 -0.796 -7.388 1.00 73.51 C ATOM 700 O ASN A 47 -2.595 -1.807 -7.845 1.00 25.12 O ATOM 701 CB ASN A 47 0.367 -0.462 -7.896 1.00 11.21 C ATOM 702 CG ASN A 47 1.275 -0.414 -9.109 1.00 0.25 C ATOM 703 OD1 ASN A 47 1.797 -1.439 -9.549 1.00 72.12 O ATOM 704 ND2 ASN A 47 1.470 0.781 -9.656 1.00 22.45 N ATOM 0 H ASN A 47 -0.428 1.838 -7.422 1.00 41.11 H new ATOM 0 HA ASN A 47 -1.260 -0.174 -9.271 1.00 62.45 H new ATOM 0 HB2 ASN A 47 0.783 0.166 -7.109 1.00 11.21 H new ATOM 0 HB3 ASN A 47 0.336 -1.480 -7.508 1.00 11.21 H new ATOM 0 HD21 ASN A 47 2.072 0.875 -10.474 1.00 22.45 H new ATOM 0 HD22 ASN A 47 1.017 1.604 -9.258 1.00 22.45 H new ATOM 711 N LEU A 48 -2.311 -0.334 -6.168 1.00 32.22 N ATOM 712 CA LEU A 48 -3.251 -1.003 -5.275 1.00 72.10 C ATOM 713 C LEU A 48 -4.668 -0.951 -5.838 1.00 25.14 C ATOM 714 O LEU A 48 -5.351 -1.971 -5.919 1.00 34.51 O ATOM 715 CB LEU A 48 -3.217 -0.356 -3.889 1.00 30.33 C ATOM 716 CG LEU A 48 -1.953 -0.602 -3.064 1.00 2.12 C ATOM 717 CD1 LEU A 48 -1.916 0.319 -1.855 1.00 34.20 C ATOM 718 CD2 LEU A 48 -1.874 -2.059 -2.630 1.00 74.10 C ATOM 0 H LEU A 48 -1.877 0.501 -5.774 1.00 32.22 H new ATOM 0 HA LEU A 48 -2.952 -2.048 -5.189 1.00 72.10 H new ATOM 0 HB2 LEU A 48 -3.345 0.720 -4.009 1.00 30.33 H new ATOM 0 HB3 LEU A 48 -4.074 -0.717 -3.320 1.00 30.33 H new ATOM 0 HG LEU A 48 -1.087 -0.382 -3.688 1.00 2.12 H new ATOM 0 HD11 LEU A 48 -1.009 0.129 -1.280 1.00 34.20 H new ATOM 0 HD12 LEU A 48 -1.924 1.357 -2.188 1.00 34.20 H new ATOM 0 HD13 LEU A 48 -2.788 0.132 -1.229 1.00 34.20 H new ATOM 0 HD21 LEU A 48 -0.968 -2.216 -2.044 1.00 74.10 H new ATOM 0 HD22 LEU A 48 -2.746 -2.306 -2.024 1.00 74.10 H new ATOM 0 HD23 LEU A 48 -1.852 -2.700 -3.511 1.00 74.10 H new ATOM 730 N GLU A 49 -5.101 0.244 -6.227 1.00 13.31 N ATOM 731 CA GLU A 49 -6.436 0.428 -6.784 1.00 43.12 C ATOM 732 C GLU A 49 -6.662 -0.502 -7.973 1.00 33.42 C ATOM 733 O GLU A 49 -7.758 -1.029 -8.161 1.00 20.30 O ATOM 734 CB GLU A 49 -6.637 1.882 -7.215 1.00 34.32 C ATOM 735 CG GLU A 49 -7.121 2.787 -6.094 1.00 0.42 C ATOM 736 CD GLU A 49 -6.061 3.775 -5.644 1.00 22.21 C ATOM 737 OE1 GLU A 49 -5.133 3.361 -4.918 1.00 31.41 O ATOM 738 OE2 GLU A 49 -6.161 4.962 -6.018 1.00 43.52 O ATOM 0 H GLU A 49 -4.547 1.098 -6.167 1.00 13.31 H new ATOM 0 HA GLU A 49 -7.162 0.183 -6.009 1.00 43.12 H new ATOM 0 HB2 GLU A 49 -5.696 2.271 -7.604 1.00 34.32 H new ATOM 0 HB3 GLU A 49 -7.357 1.914 -8.033 1.00 34.32 H new ATOM 0 HG2 GLU A 49 -8.003 3.333 -6.428 1.00 0.42 H new ATOM 0 HG3 GLU A 49 -7.427 2.176 -5.245 1.00 0.42 H new ATOM 745 N GLU A 50 -5.617 -0.697 -8.772 1.00 33.43 N ATOM 746 CA GLU A 50 -5.703 -1.561 -9.942 1.00 43.14 C ATOM 747 C GLU A 50 -5.702 -3.032 -9.534 1.00 40.44 C ATOM 748 O GLU A 50 -6.254 -3.880 -10.234 1.00 64.44 O ATOM 749 CB GLU A 50 -4.538 -1.284 -10.894 1.00 44.24 C ATOM 750 CG GLU A 50 -4.776 -1.784 -12.309 1.00 44.44 C ATOM 751 CD GLU A 50 -5.526 -0.782 -13.164 1.00 74.11 C ATOM 752 OE1 GLU A 50 -4.870 0.089 -13.774 1.00 62.42 O ATOM 753 OE2 GLU A 50 -6.770 -0.868 -13.223 1.00 54.41 O ATOM 0 H GLU A 50 -4.702 -0.268 -8.630 1.00 33.43 H new ATOM 0 HA GLU A 50 -6.641 -1.345 -10.454 1.00 43.14 H new ATOM 0 HB2 GLU A 50 -4.351 -0.210 -10.924 1.00 44.24 H new ATOM 0 HB3 GLU A 50 -3.637 -1.753 -10.499 1.00 44.24 H new ATOM 0 HG2 GLU A 50 -3.818 -2.009 -12.777 1.00 44.44 H new ATOM 0 HG3 GLU A 50 -5.339 -2.717 -12.271 1.00 44.44 H new ATOM 760 N GLU A 51 -5.078 -3.324 -8.398 1.00 60.32 N ATOM 761 CA GLU A 51 -5.005 -4.692 -7.897 1.00 3.12 C ATOM 762 C GLU A 51 -6.329 -5.113 -7.267 1.00 13.14 C ATOM 763 O GLU A 51 -6.888 -6.156 -7.607 1.00 1.54 O ATOM 764 CB GLU A 51 -3.875 -4.824 -6.874 1.00 0.14 C ATOM 765 CG GLU A 51 -3.534 -6.263 -6.525 1.00 71.24 C ATOM 766 CD GLU A 51 -2.934 -7.020 -7.694 1.00 40.02 C ATOM 767 OE1 GLU A 51 -1.723 -6.857 -7.949 1.00 34.35 O ATOM 768 OE2 GLU A 51 -3.677 -7.777 -8.354 1.00 0.35 O ATOM 0 H GLU A 51 -4.616 -2.633 -7.807 1.00 60.32 H new ATOM 0 HA GLU A 51 -4.800 -5.350 -8.741 1.00 3.12 H new ATOM 0 HB2 GLU A 51 -2.984 -4.333 -7.265 1.00 0.14 H new ATOM 0 HB3 GLU A 51 -4.157 -4.295 -5.963 1.00 0.14 H new ATOM 0 HG2 GLU A 51 -2.832 -6.274 -5.691 1.00 71.24 H new ATOM 0 HG3 GLU A 51 -4.436 -6.775 -6.190 1.00 71.24 H new ATOM 775 N PHE A 52 -6.825 -4.294 -6.345 1.00 44.44 N ATOM 776 CA PHE A 52 -8.083 -4.581 -5.666 1.00 23.32 C ATOM 777 C PHE A 52 -9.260 -3.969 -6.418 1.00 53.30 C ATOM 778 O PHE A 52 -10.393 -3.984 -5.939 1.00 31.24 O ATOM 779 CB PHE A 52 -8.045 -4.047 -4.232 1.00 12.41 C ATOM 780 CG PHE A 52 -6.960 -4.658 -3.393 1.00 21.00 C ATOM 781 CD1 PHE A 52 -5.679 -4.131 -3.403 1.00 45.05 C ATOM 782 CD2 PHE A 52 -7.221 -5.759 -2.593 1.00 12.00 C ATOM 783 CE1 PHE A 52 -4.677 -4.691 -2.633 1.00 34.11 C ATOM 784 CE2 PHE A 52 -6.224 -6.322 -1.819 1.00 41.03 C ATOM 785 CZ PHE A 52 -4.951 -5.788 -1.840 1.00 4.25 C ATOM 0 H PHE A 52 -6.375 -3.427 -6.051 1.00 44.44 H new ATOM 0 HA PHE A 52 -8.215 -5.663 -5.641 1.00 23.32 H new ATOM 0 HB2 PHE A 52 -7.907 -2.966 -4.259 1.00 12.41 H new ATOM 0 HB3 PHE A 52 -9.008 -4.234 -3.758 1.00 12.41 H new ATOM 0 HD1 PHE A 52 -5.460 -3.272 -4.020 1.00 45.05 H new ATOM 0 HD2 PHE A 52 -8.215 -6.182 -2.574 1.00 12.00 H new ATOM 0 HE1 PHE A 52 -3.682 -4.272 -2.651 1.00 34.11 H new ATOM 0 HE2 PHE A 52 -6.441 -7.179 -1.198 1.00 41.03 H new ATOM 0 HZ PHE A 52 -4.170 -6.228 -1.237 1.00 4.25 H new ATOM 795 N GLY A 53 -8.982 -3.428 -7.601 1.00 71.24 N ATOM 796 CA GLY A 53 -10.028 -2.818 -8.401 1.00 11.24 C ATOM 797 C GLY A 53 -10.831 -1.795 -7.623 1.00 31.44 C ATOM 798 O GLY A 53 -12.024 -1.613 -7.871 1.00 3.03 O ATOM 0 H GLY A 53 -8.052 -3.401 -8.019 1.00 71.24 H new ATOM 0 HA2 GLY A 53 -9.582 -2.339 -9.272 1.00 11.24 H new ATOM 0 HA3 GLY A 53 -10.697 -3.595 -8.772 1.00 11.24 H new ATOM 802 N ILE A 54 -10.178 -1.128 -6.676 1.00 54.31 N ATOM 803 CA ILE A 54 -10.841 -0.119 -5.858 1.00 51.15 C ATOM 804 C ILE A 54 -10.476 1.288 -6.319 1.00 34.24 C ATOM 805 O ILE A 54 -9.617 1.467 -7.180 1.00 44.44 O ATOM 806 CB ILE A 54 -10.475 -0.272 -4.371 1.00 70.40 C ATOM 807 CG1 ILE A 54 -8.955 -0.265 -4.194 1.00 23.40 C ATOM 808 CG2 ILE A 54 -11.073 -1.552 -3.807 1.00 33.21 C ATOM 809 CD1 ILE A 54 -8.516 -0.276 -2.746 1.00 62.43 C ATOM 0 H ILE A 54 -9.192 -1.268 -6.457 1.00 54.31 H new ATOM 0 HA ILE A 54 -11.914 -0.270 -5.977 1.00 51.15 H new ATOM 0 HB ILE A 54 -10.890 0.573 -3.821 1.00 70.40 H new ATOM 0 HG12 ILE A 54 -8.534 -1.134 -4.700 1.00 23.40 H new ATOM 0 HG13 ILE A 54 -8.544 0.618 -4.683 1.00 23.40 H new ATOM 0 HG21 ILE A 54 -10.805 -1.646 -2.755 1.00 33.21 H new ATOM 0 HG22 ILE A 54 -12.158 -1.520 -3.904 1.00 33.21 H new ATOM 0 HG23 ILE A 54 -10.685 -2.409 -4.358 1.00 33.21 H new ATOM 0 HD11 ILE A 54 -7.427 -0.270 -2.696 1.00 62.43 H new ATOM 0 HD12 ILE A 54 -8.907 0.607 -2.240 1.00 62.43 H new ATOM 0 HD13 ILE A 54 -8.897 -1.173 -2.257 1.00 62.43 H new ATOM 821 N ASN A 55 -11.134 2.285 -5.736 1.00 35.33 N ATOM 822 CA ASN A 55 -10.878 3.678 -6.084 1.00 41.14 C ATOM 823 C ASN A 55 -10.781 4.543 -4.832 1.00 4.31 C ATOM 824 O ASN A 55 -11.635 4.475 -3.948 1.00 64.01 O ATOM 825 CB ASN A 55 -11.985 4.207 -6.999 1.00 1.22 C ATOM 826 CG ASN A 55 -13.349 3.652 -6.638 1.00 34.53 C ATOM 827 OD1 ASN A 55 -13.924 2.856 -7.381 1.00 30.32 O ATOM 828 ND2 ASN A 55 -13.874 4.072 -5.492 1.00 64.22 N ATOM 0 H ASN A 55 -11.849 2.154 -5.020 1.00 35.33 H new ATOM 0 HA ASN A 55 -9.925 3.726 -6.611 1.00 41.14 H new ATOM 0 HB2 ASN A 55 -12.012 5.295 -6.941 1.00 1.22 H new ATOM 0 HB3 ASN A 55 -11.753 3.949 -8.032 1.00 1.22 H new ATOM 0 HD21 ASN A 55 -14.790 3.734 -5.196 1.00 64.22 H new ATOM 0 HD22 ASN A 55 -13.361 4.733 -4.908 1.00 64.22 H new ATOM 835 N VAL A 56 -9.732 5.357 -4.762 1.00 53.13 N ATOM 836 CA VAL A 56 -9.522 6.238 -3.620 1.00 11.11 C ATOM 837 C VAL A 56 -8.766 7.497 -4.027 1.00 70.22 C ATOM 838 O VAL A 56 -7.815 7.438 -4.807 1.00 32.30 O ATOM 839 CB VAL A 56 -8.744 5.525 -2.498 1.00 13.55 C ATOM 840 CG1 VAL A 56 -7.361 5.117 -2.983 1.00 1.52 C ATOM 841 CG2 VAL A 56 -8.644 6.417 -1.269 1.00 52.02 C ATOM 0 H VAL A 56 -9.014 5.424 -5.484 1.00 53.13 H new ATOM 0 HA VAL A 56 -10.509 6.516 -3.249 1.00 11.11 H new ATOM 0 HB VAL A 56 -9.287 4.622 -2.221 1.00 13.55 H new ATOM 0 HG11 VAL A 56 -6.826 4.615 -2.177 1.00 1.52 H new ATOM 0 HG12 VAL A 56 -7.458 4.439 -3.831 1.00 1.52 H new ATOM 0 HG13 VAL A 56 -6.806 6.004 -3.289 1.00 1.52 H new ATOM 0 HG21 VAL A 56 -8.091 5.897 -0.486 1.00 52.02 H new ATOM 0 HG22 VAL A 56 -8.124 7.339 -1.530 1.00 52.02 H new ATOM 0 HG23 VAL A 56 -9.645 6.655 -0.909 1.00 52.02 H new ATOM 851 N ASP A 57 -9.196 8.636 -3.495 1.00 45.21 N ATOM 852 CA ASP A 57 -8.558 9.911 -3.802 1.00 4.22 C ATOM 853 C ASP A 57 -7.184 10.004 -3.146 1.00 10.33 C ATOM 854 O ASP A 57 -6.958 9.442 -2.075 1.00 22.03 O ATOM 855 CB ASP A 57 -9.438 11.072 -3.336 1.00 31.23 C ATOM 856 CG ASP A 57 -9.161 12.352 -4.099 1.00 10.10 C ATOM 857 OD1 ASP A 57 -8.134 13.003 -3.814 1.00 21.12 O ATOM 858 OD2 ASP A 57 -9.971 12.703 -4.983 1.00 51.02 O ATOM 0 H ASP A 57 -9.983 8.702 -2.850 1.00 45.21 H new ATOM 0 HA ASP A 57 -8.430 9.973 -4.883 1.00 4.22 H new ATOM 0 HB2 ASP A 57 -10.487 10.800 -3.457 1.00 31.23 H new ATOM 0 HB3 ASP A 57 -9.274 11.244 -2.272 1.00 31.23 H new ATOM 863 N GLU A 58 -6.268 10.716 -3.797 1.00 54.34 N ATOM 864 CA GLU A 58 -4.916 10.879 -3.278 1.00 34.15 C ATOM 865 C GLU A 58 -4.924 11.702 -1.992 1.00 24.31 C ATOM 866 O GLU A 58 -4.218 11.383 -1.035 1.00 2.44 O ATOM 867 CB GLU A 58 -4.023 11.553 -4.321 1.00 70.00 C ATOM 868 CG GLU A 58 -3.456 10.589 -5.349 1.00 65.43 C ATOM 869 CD GLU A 58 -2.568 11.277 -6.368 1.00 11.12 C ATOM 870 OE1 GLU A 58 -1.581 11.922 -5.954 1.00 22.31 O ATOM 871 OE2 GLU A 58 -2.859 11.173 -7.577 1.00 41.15 O ATOM 0 H GLU A 58 -6.439 11.189 -4.685 1.00 54.34 H new ATOM 0 HA GLU A 58 -4.518 9.889 -3.055 1.00 34.15 H new ATOM 0 HB2 GLU A 58 -4.597 12.324 -4.835 1.00 70.00 H new ATOM 0 HB3 GLU A 58 -3.200 12.055 -3.813 1.00 70.00 H new ATOM 0 HG2 GLU A 58 -2.884 9.815 -4.838 1.00 65.43 H new ATOM 0 HG3 GLU A 58 -4.276 10.091 -5.865 1.00 65.43 H new ATOM 878 N ASP A 59 -5.726 12.760 -1.978 1.00 14.44 N ATOM 879 CA ASP A 59 -5.827 13.628 -0.811 1.00 3.35 C ATOM 880 C ASP A 59 -6.200 12.827 0.433 1.00 5.55 C ATOM 881 O ASP A 59 -5.877 13.216 1.555 1.00 54.23 O ATOM 882 CB ASP A 59 -6.863 14.728 -1.053 1.00 64.35 C ATOM 883 CG ASP A 59 -6.353 15.807 -1.987 1.00 52.55 C ATOM 884 OD1 ASP A 59 -5.893 15.464 -3.097 1.00 3.42 O ATOM 885 OD2 ASP A 59 -6.415 16.995 -1.610 1.00 11.31 O ATOM 0 H ASP A 59 -6.316 13.038 -2.762 1.00 14.44 H new ATOM 0 HA ASP A 59 -4.852 14.087 -0.647 1.00 3.35 H new ATOM 0 HB2 ASP A 59 -7.767 14.286 -1.472 1.00 64.35 H new ATOM 0 HB3 ASP A 59 -7.141 15.178 -0.100 1.00 64.35 H new ATOM 890 N LYS A 60 -6.880 11.705 0.224 1.00 35.35 N ATOM 891 CA LYS A 60 -7.297 10.847 1.328 1.00 55.42 C ATOM 892 C LYS A 60 -6.171 9.906 1.741 1.00 51.44 C ATOM 893 O LYS A 60 -6.126 9.438 2.878 1.00 3.02 O ATOM 894 CB LYS A 60 -8.534 10.038 0.932 1.00 44.21 C ATOM 895 CG LYS A 60 -9.840 10.789 1.122 1.00 62.35 C ATOM 896 CD LYS A 60 -11.022 9.838 1.210 1.00 32.24 C ATOM 897 CE LYS A 60 -12.341 10.594 1.290 1.00 5.42 C ATOM 898 NZ LYS A 60 -13.487 9.683 1.562 1.00 45.23 N ATOM 0 H LYS A 60 -7.154 11.368 -0.699 1.00 35.35 H new ATOM 0 HA LYS A 60 -7.544 11.484 2.178 1.00 55.42 H new ATOM 0 HB2 LYS A 60 -8.444 9.741 -0.113 1.00 44.21 H new ATOM 0 HB3 LYS A 60 -8.563 9.122 1.522 1.00 44.21 H new ATOM 0 HG2 LYS A 60 -9.787 11.390 2.030 1.00 62.35 H new ATOM 0 HG3 LYS A 60 -9.988 11.479 0.291 1.00 62.35 H new ATOM 0 HD2 LYS A 60 -11.029 9.183 0.339 1.00 32.24 H new ATOM 0 HD3 LYS A 60 -10.913 9.200 2.087 1.00 32.24 H new ATOM 0 HE2 LYS A 60 -12.281 11.347 2.076 1.00 5.42 H new ATOM 0 HE3 LYS A 60 -12.513 11.124 0.353 1.00 5.42 H new ATOM 0 HZ1 LYS A 60 -14.367 10.236 1.609 1.00 45.23 H new ATOM 0 HZ2 LYS A 60 -13.560 8.980 0.799 1.00 45.23 H new ATOM 0 HZ3 LYS A 60 -13.336 9.196 2.468 1.00 45.23 H new ATOM 912 N ALA A 61 -5.263 9.633 0.810 1.00 43.24 N ATOM 913 CA ALA A 61 -4.135 8.749 1.078 1.00 33.04 C ATOM 914 C ALA A 61 -2.896 9.546 1.474 1.00 72.12 C ATOM 915 O ALA A 61 -1.769 9.126 1.217 1.00 61.51 O ATOM 916 CB ALA A 61 -3.841 7.884 -0.139 1.00 31.23 C ATOM 0 H ALA A 61 -5.286 10.011 -0.137 1.00 43.24 H new ATOM 0 HA ALA A 61 -4.402 8.102 1.914 1.00 33.04 H new ATOM 0 HB1 ALA A 61 -2.997 7.229 0.076 1.00 31.23 H new ATOM 0 HB2 ALA A 61 -4.717 7.281 -0.377 1.00 31.23 H new ATOM 0 HB3 ALA A 61 -3.599 8.522 -0.989 1.00 31.23 H new ATOM 922 N GLN A 62 -3.115 10.698 2.100 1.00 60.31 N ATOM 923 CA GLN A 62 -2.016 11.554 2.531 1.00 43.30 C ATOM 924 C GLN A 62 -1.349 10.996 3.784 1.00 73.44 C ATOM 925 O GLN A 62 -0.128 10.854 3.839 1.00 63.31 O ATOM 926 CB GLN A 62 -2.520 12.973 2.796 1.00 63.01 C ATOM 927 CG GLN A 62 -3.009 13.688 1.547 1.00 0.45 C ATOM 928 CD GLN A 62 -1.872 14.202 0.685 1.00 22.41 C ATOM 929 OE1 GLN A 62 -0.974 14.893 1.169 1.00 73.35 O ATOM 930 NE2 GLN A 62 -1.903 13.865 -0.598 1.00 40.13 N ATOM 0 H GLN A 62 -4.043 11.060 2.320 1.00 60.31 H new ATOM 0 HA GLN A 62 -1.277 11.582 1.731 1.00 43.30 H new ATOM 0 HB2 GLN A 62 -3.332 12.932 3.522 1.00 63.01 H new ATOM 0 HB3 GLN A 62 -1.718 13.556 3.248 1.00 63.01 H new ATOM 0 HG2 GLN A 62 -3.625 13.006 0.960 1.00 0.45 H new ATOM 0 HG3 GLN A 62 -3.646 14.523 1.837 1.00 0.45 H new ATOM 0 HE21 GLN A 62 -2.666 13.291 -0.956 1.00 40.13 H new ATOM 0 HE22 GLN A 62 -1.164 14.180 -1.226 1.00 40.13 H new ATOM 939 N ASP A 63 -2.160 10.680 4.788 1.00 61.14 N ATOM 940 CA ASP A 63 -1.649 10.136 6.041 1.00 34.32 C ATOM 941 C ASP A 63 -0.886 8.838 5.799 1.00 53.43 C ATOM 942 O ASP A 63 -0.055 8.434 6.613 1.00 62.42 O ATOM 943 CB ASP A 63 -2.798 9.893 7.021 1.00 23.41 C ATOM 944 CG ASP A 63 -3.628 11.137 7.261 1.00 33.13 C ATOM 945 OD1 ASP A 63 -3.081 12.252 7.123 1.00 2.14 O ATOM 946 OD2 ASP A 63 -4.825 10.998 7.588 1.00 72.12 O ATOM 0 H ASP A 63 -3.173 10.791 4.759 1.00 61.14 H new ATOM 0 HA ASP A 63 -0.962 10.864 6.472 1.00 34.32 H new ATOM 0 HB2 ASP A 63 -3.440 9.101 6.635 1.00 23.41 H new ATOM 0 HB3 ASP A 63 -2.394 9.541 7.970 1.00 23.41 H new ATOM 951 N ILE A 64 -1.174 8.188 4.676 1.00 12.14 N ATOM 952 CA ILE A 64 -0.515 6.936 4.328 1.00 41.35 C ATOM 953 C ILE A 64 1.002 7.072 4.407 1.00 35.05 C ATOM 954 O ILE A 64 1.608 7.827 3.648 1.00 41.02 O ATOM 955 CB ILE A 64 -0.903 6.470 2.912 1.00 15.11 C ATOM 956 CG1 ILE A 64 -2.425 6.379 2.780 1.00 0.45 C ATOM 957 CG2 ILE A 64 -0.258 5.129 2.600 1.00 44.13 C ATOM 958 CD1 ILE A 64 -3.064 5.455 3.792 1.00 54.14 C ATOM 0 H ILE A 64 -1.860 8.508 3.992 1.00 12.14 H new ATOM 0 HA ILE A 64 -0.849 6.193 5.052 1.00 41.35 H new ATOM 0 HB ILE A 64 -0.538 7.203 2.192 1.00 15.11 H new ATOM 0 HG12 ILE A 64 -2.852 7.376 2.890 1.00 0.45 H new ATOM 0 HG13 ILE A 64 -2.675 6.034 1.777 1.00 0.45 H new ATOM 0 HG21 ILE A 64 -0.542 4.814 1.596 1.00 44.13 H new ATOM 0 HG22 ILE A 64 0.826 5.225 2.657 1.00 44.13 H new ATOM 0 HG23 ILE A 64 -0.595 4.386 3.323 1.00 44.13 H new ATOM 0 HD11 ILE A 64 -4.143 5.439 3.640 1.00 54.14 H new ATOM 0 HD12 ILE A 64 -2.665 4.448 3.668 1.00 54.14 H new ATOM 0 HD13 ILE A 64 -2.845 5.811 4.799 1.00 54.14 H new ATOM 970 N SER A 65 1.608 6.335 5.332 1.00 34.23 N ATOM 971 CA SER A 65 3.054 6.374 5.514 1.00 11.34 C ATOM 972 C SER A 65 3.644 4.968 5.482 1.00 24.42 C ATOM 973 O SER A 65 4.694 4.735 4.880 1.00 74.33 O ATOM 974 CB SER A 65 3.405 7.057 6.837 1.00 21.42 C ATOM 975 OG SER A 65 4.664 6.621 7.319 1.00 65.12 O ATOM 0 H SER A 65 1.120 5.704 5.967 1.00 34.23 H new ATOM 0 HA SER A 65 3.483 6.948 4.692 1.00 11.34 H new ATOM 0 HB2 SER A 65 3.420 8.138 6.699 1.00 21.42 H new ATOM 0 HB3 SER A 65 2.634 6.841 7.577 1.00 21.42 H new ATOM 0 HG SER A 65 5.294 7.372 7.316 1.00 65.12 H new ATOM 981 N THR A 66 2.963 4.032 6.135 1.00 32.23 N ATOM 982 CA THR A 66 3.418 2.649 6.185 1.00 43.21 C ATOM 983 C THR A 66 2.483 1.733 5.401 1.00 10.25 C ATOM 984 O THR A 66 1.405 2.150 4.976 1.00 5.22 O ATOM 985 CB THR A 66 3.519 2.141 7.635 1.00 32.10 C ATOM 986 OG1 THR A 66 2.209 1.909 8.165 1.00 5.21 O ATOM 987 CG2 THR A 66 4.256 3.145 8.510 1.00 70.35 C ATOM 0 H THR A 66 2.093 4.207 6.637 1.00 32.23 H new ATOM 0 HA THR A 66 4.409 2.627 5.731 1.00 43.21 H new ATOM 0 HB THR A 66 4.079 1.206 7.631 1.00 32.10 H new ATOM 0 HG1 THR A 66 2.282 1.584 9.087 1.00 5.21 H new ATOM 0 HG21 THR A 66 4.315 2.765 9.530 1.00 70.35 H new ATOM 0 HG22 THR A 66 5.263 3.297 8.121 1.00 70.35 H new ATOM 0 HG23 THR A 66 3.719 4.093 8.507 1.00 70.35 H new ATOM 995 N ILE A 67 2.901 0.487 5.216 1.00 61.21 N ATOM 996 CA ILE A 67 2.100 -0.487 4.486 1.00 73.13 C ATOM 997 C ILE A 67 0.705 -0.613 5.089 1.00 60.51 C ATOM 998 O ILE A 67 -0.296 -0.601 4.372 1.00 3.12 O ATOM 999 CB ILE A 67 2.769 -1.875 4.475 1.00 15.44 C ATOM 1000 CG1 ILE A 67 4.183 -1.777 3.898 1.00 61.34 C ATOM 1001 CG2 ILE A 67 1.932 -2.861 3.676 1.00 32.01 C ATOM 1002 CD1 ILE A 67 4.215 -1.368 2.442 1.00 32.32 C ATOM 0 H ILE A 67 3.791 0.127 5.562 1.00 61.21 H new ATOM 0 HA ILE A 67 2.020 -0.124 3.461 1.00 73.13 H new ATOM 0 HB ILE A 67 2.839 -2.237 5.501 1.00 15.44 H new ATOM 0 HG12 ILE A 67 4.756 -1.057 4.482 1.00 61.34 H new ATOM 0 HG13 ILE A 67 4.679 -2.742 4.007 1.00 61.34 H new ATOM 0 HG21 ILE A 67 2.418 -3.836 3.678 1.00 32.01 H new ATOM 0 HG22 ILE A 67 0.943 -2.948 4.126 1.00 32.01 H new ATOM 0 HG23 ILE A 67 1.833 -2.507 2.650 1.00 32.01 H new ATOM 0 HD11 ILE A 67 5.249 -1.319 2.100 1.00 32.32 H new ATOM 0 HD12 ILE A 67 3.670 -2.101 1.846 1.00 32.32 H new ATOM 0 HD13 ILE A 67 3.749 -0.389 2.329 1.00 32.32 H new ATOM 1014 N GLN A 68 0.646 -0.733 6.412 1.00 32.13 N ATOM 1015 CA GLN A 68 -0.627 -0.859 7.111 1.00 24.53 C ATOM 1016 C GLN A 68 -1.540 0.322 6.800 1.00 3.04 C ATOM 1017 O GLN A 68 -2.723 0.144 6.512 1.00 22.43 O ATOM 1018 CB GLN A 68 -0.395 -0.957 8.620 1.00 32.12 C ATOM 1019 CG GLN A 68 -0.318 -2.385 9.134 1.00 63.25 C ATOM 1020 CD GLN A 68 -1.669 -2.930 9.552 1.00 63.22 C ATOM 1021 OE1 GLN A 68 -1.953 -3.072 10.742 1.00 43.20 O ATOM 1022 NE2 GLN A 68 -2.513 -3.238 8.574 1.00 2.11 N ATOM 0 H GLN A 68 1.465 -0.746 7.020 1.00 32.13 H new ATOM 0 HA GLN A 68 -1.114 -1.770 6.765 1.00 24.53 H new ATOM 0 HB2 GLN A 68 0.531 -0.439 8.871 1.00 32.12 H new ATOM 0 HB3 GLN A 68 -1.201 -0.437 9.137 1.00 32.12 H new ATOM 0 HG2 GLN A 68 0.103 -3.024 8.358 1.00 63.25 H new ATOM 0 HG3 GLN A 68 0.364 -2.425 9.983 1.00 63.25 H new ATOM 0 HE21 GLN A 68 -2.237 -3.105 7.601 1.00 2.11 H new ATOM 0 HE22 GLN A 68 -3.437 -3.608 8.796 1.00 2.11 H new ATOM 1031 N GLN A 69 -0.981 1.527 6.860 1.00 21.51 N ATOM 1032 CA GLN A 69 -1.746 2.737 6.585 1.00 34.32 C ATOM 1033 C GLN A 69 -2.454 2.639 5.238 1.00 2.43 C ATOM 1034 O GLN A 69 -3.641 2.945 5.125 1.00 24.34 O ATOM 1035 CB GLN A 69 -0.829 3.961 6.606 1.00 42.13 C ATOM 1036 CG GLN A 69 -0.118 4.166 7.933 1.00 22.45 C ATOM 1037 CD GLN A 69 -1.054 4.631 9.031 1.00 2.44 C ATOM 1038 OE1 GLN A 69 -2.275 4.599 8.877 1.00 43.14 O ATOM 1039 NE2 GLN A 69 -0.485 5.069 10.148 1.00 22.44 N ATOM 0 H GLN A 69 -0.002 1.691 7.096 1.00 21.51 H new ATOM 0 HA GLN A 69 -2.501 2.845 7.364 1.00 34.32 H new ATOM 0 HB2 GLN A 69 -0.084 3.860 5.816 1.00 42.13 H new ATOM 0 HB3 GLN A 69 -1.418 4.850 6.378 1.00 42.13 H new ATOM 0 HG2 GLN A 69 0.355 3.232 8.236 1.00 22.45 H new ATOM 0 HG3 GLN A 69 0.678 4.899 7.805 1.00 22.45 H new ATOM 0 HE21 GLN A 69 0.531 5.078 10.233 1.00 22.44 H new ATOM 0 HE22 GLN A 69 -1.064 5.396 10.921 1.00 22.44 H new ATOM 1048 N ALA A 70 -1.717 2.212 4.217 1.00 20.11 N ATOM 1049 CA ALA A 70 -2.274 2.073 2.878 1.00 71.20 C ATOM 1050 C ALA A 70 -3.265 0.916 2.814 1.00 53.33 C ATOM 1051 O ALA A 70 -4.182 0.917 1.991 1.00 32.21 O ATOM 1052 CB ALA A 70 -1.160 1.873 1.861 1.00 54.14 C ATOM 0 H ALA A 70 -0.732 1.956 4.293 1.00 20.11 H new ATOM 0 HA ALA A 70 -2.810 2.991 2.637 1.00 71.20 H new ATOM 0 HB1 ALA A 70 -1.591 1.771 0.865 1.00 54.14 H new ATOM 0 HB2 ALA A 70 -0.491 2.733 1.880 1.00 54.14 H new ATOM 0 HB3 ALA A 70 -0.599 0.972 2.108 1.00 54.14 H new ATOM 1058 N ALA A 71 -3.077 -0.068 3.685 1.00 43.20 N ATOM 1059 CA ALA A 71 -3.956 -1.230 3.728 1.00 2.21 C ATOM 1060 C ALA A 71 -5.304 -0.876 4.347 1.00 21.34 C ATOM 1061 O ALA A 71 -6.355 -1.241 3.820 1.00 43.12 O ATOM 1062 CB ALA A 71 -3.298 -2.362 4.503 1.00 1.31 C ATOM 0 H ALA A 71 -2.323 -0.084 4.372 1.00 43.20 H new ATOM 0 HA ALA A 71 -4.131 -1.560 2.704 1.00 2.21 H new ATOM 0 HB1 ALA A 71 -3.966 -3.223 4.527 1.00 1.31 H new ATOM 0 HB2 ALA A 71 -2.363 -2.641 4.016 1.00 1.31 H new ATOM 0 HB3 ALA A 71 -3.092 -2.034 5.522 1.00 1.31 H new ATOM 1068 N ASP A 72 -5.266 -0.165 5.469 1.00 52.40 N ATOM 1069 CA ASP A 72 -6.485 0.239 6.160 1.00 42.45 C ATOM 1070 C ASP A 72 -7.447 0.934 5.202 1.00 11.21 C ATOM 1071 O ASP A 72 -8.658 0.713 5.252 1.00 45.33 O ATOM 1072 CB ASP A 72 -6.150 1.165 7.329 1.00 72.11 C ATOM 1073 CG ASP A 72 -5.425 0.445 8.449 1.00 3.13 C ATOM 1074 OD1 ASP A 72 -4.692 -0.521 8.155 1.00 61.41 O ATOM 1075 OD2 ASP A 72 -5.591 0.848 9.620 1.00 12.31 O ATOM 0 H ASP A 72 -4.404 0.143 5.919 1.00 52.40 H new ATOM 0 HA ASP A 72 -6.970 -0.658 6.545 1.00 42.45 H new ATOM 0 HB2 ASP A 72 -5.532 1.989 6.971 1.00 72.11 H new ATOM 0 HB3 ASP A 72 -7.070 1.602 7.718 1.00 72.11 H new ATOM 1080 N VAL A 73 -6.902 1.778 4.332 1.00 1.33 N ATOM 1081 CA VAL A 73 -7.712 2.507 3.363 1.00 22.02 C ATOM 1082 C VAL A 73 -8.342 1.558 2.350 1.00 40.41 C ATOM 1083 O VAL A 73 -9.458 1.786 1.882 1.00 71.33 O ATOM 1084 CB VAL A 73 -6.875 3.561 2.612 1.00 72.51 C ATOM 1085 CG1 VAL A 73 -7.743 4.324 1.623 1.00 2.32 C ATOM 1086 CG2 VAL A 73 -6.211 4.512 3.597 1.00 45.34 C ATOM 0 H VAL A 73 -5.902 1.974 4.278 1.00 1.33 H new ATOM 0 HA VAL A 73 -8.500 3.011 3.923 1.00 22.02 H new ATOM 0 HB VAL A 73 -6.092 3.049 2.052 1.00 72.51 H new ATOM 0 HG11 VAL A 73 -7.136 5.064 1.102 1.00 2.32 H new ATOM 0 HG12 VAL A 73 -8.168 3.628 0.899 1.00 2.32 H new ATOM 0 HG13 VAL A 73 -8.548 4.827 2.158 1.00 2.32 H new ATOM 0 HG21 VAL A 73 -5.624 5.250 3.051 1.00 45.34 H new ATOM 0 HG22 VAL A 73 -6.976 5.020 4.185 1.00 45.34 H new ATOM 0 HG23 VAL A 73 -5.557 3.948 4.262 1.00 45.34 H new ATOM 1096 N ILE A 74 -7.620 0.495 2.015 1.00 45.44 N ATOM 1097 CA ILE A 74 -8.109 -0.490 1.057 1.00 1.52 C ATOM 1098 C ILE A 74 -9.259 -1.302 1.643 1.00 51.02 C ATOM 1099 O ILE A 74 -10.364 -1.311 1.100 1.00 22.42 O ATOM 1100 CB ILE A 74 -6.990 -1.451 0.615 1.00 25.04 C ATOM 1101 CG1 ILE A 74 -5.845 -0.671 -0.036 1.00 51.14 C ATOM 1102 CG2 ILE A 74 -7.538 -2.498 -0.343 1.00 31.11 C ATOM 1103 CD1 ILE A 74 -4.504 -1.361 0.074 1.00 24.52 C ATOM 0 H ILE A 74 -6.694 0.293 2.392 1.00 45.44 H new ATOM 0 HA ILE A 74 -8.464 0.064 0.188 1.00 1.52 H new ATOM 0 HB ILE A 74 -6.601 -1.962 1.496 1.00 25.04 H new ATOM 0 HG12 ILE A 74 -6.077 -0.512 -1.089 1.00 51.14 H new ATOM 0 HG13 ILE A 74 -5.777 0.313 0.428 1.00 51.14 H new ATOM 0 HG21 ILE A 74 -6.735 -3.170 -0.646 1.00 31.11 H new ATOM 0 HG22 ILE A 74 -8.322 -3.070 0.153 1.00 31.11 H new ATOM 0 HG23 ILE A 74 -7.951 -2.005 -1.223 1.00 31.11 H new ATOM 0 HD11 ILE A 74 -3.740 -0.751 -0.409 1.00 24.52 H new ATOM 0 HD12 ILE A 74 -4.249 -1.496 1.125 1.00 24.52 H new ATOM 0 HD13 ILE A 74 -4.554 -2.334 -0.415 1.00 24.52 H new ATOM 1115 N GLU A 75 -8.992 -1.980 2.754 1.00 31.42 N ATOM 1116 CA GLU A 75 -10.006 -2.795 3.414 1.00 5.44 C ATOM 1117 C GLU A 75 -11.258 -1.973 3.707 1.00 0.42 C ATOM 1118 O GLU A 75 -12.368 -2.501 3.736 1.00 50.13 O ATOM 1119 CB GLU A 75 -9.453 -3.383 4.714 1.00 45.44 C ATOM 1120 CG GLU A 75 -8.845 -2.344 5.642 1.00 52.00 C ATOM 1121 CD GLU A 75 -8.830 -2.794 7.090 1.00 21.13 C ATOM 1122 OE1 GLU A 75 -9.442 -3.839 7.394 1.00 54.00 O ATOM 1123 OE2 GLU A 75 -8.204 -2.100 7.919 1.00 73.22 O ATOM 0 H GLU A 75 -8.083 -1.982 3.216 1.00 31.42 H new ATOM 0 HA GLU A 75 -10.276 -3.609 2.741 1.00 5.44 H new ATOM 0 HB2 GLU A 75 -10.256 -3.901 5.239 1.00 45.44 H new ATOM 0 HB3 GLU A 75 -8.696 -4.129 4.472 1.00 45.44 H new ATOM 0 HG2 GLU A 75 -7.826 -2.128 5.322 1.00 52.00 H new ATOM 0 HG3 GLU A 75 -9.408 -1.415 5.560 1.00 52.00 H new ATOM 1130 N GLY A 76 -11.068 -0.674 3.925 1.00 33.21 N ATOM 1131 CA GLY A 76 -12.190 0.200 4.215 1.00 0.02 C ATOM 1132 C GLY A 76 -13.141 0.332 3.041 1.00 5.05 C ATOM 1133 O GLY A 76 -14.345 0.510 3.225 1.00 3.13 O ATOM 0 H GLY A 76 -10.158 -0.213 3.906 1.00 33.21 H new ATOM 0 HA2 GLY A 76 -12.734 -0.186 5.077 1.00 0.02 H new ATOM 0 HA3 GLY A 76 -11.817 1.187 4.489 1.00 0.02 H new ATOM 1137 N LEU A 77 -12.598 0.245 1.831 1.00 73.35 N ATOM 1138 CA LEU A 77 -13.407 0.357 0.622 1.00 23.30 C ATOM 1139 C LEU A 77 -14.118 -0.958 0.319 1.00 44.34 C ATOM 1140 O LEU A 77 -15.308 -0.974 0.003 1.00 60.02 O ATOM 1141 CB LEU A 77 -12.531 0.763 -0.565 1.00 12.01 C ATOM 1142 CG LEU A 77 -11.802 2.101 -0.434 1.00 11.30 C ATOM 1143 CD1 LEU A 77 -10.505 2.082 -1.228 1.00 62.11 C ATOM 1144 CD2 LEU A 77 -12.696 3.243 -0.897 1.00 70.35 C ATOM 0 H LEU A 77 -11.603 0.098 1.661 1.00 73.35 H new ATOM 0 HA LEU A 77 -14.161 1.126 0.788 1.00 23.30 H new ATOM 0 HB2 LEU A 77 -11.788 -0.018 -0.727 1.00 12.01 H new ATOM 0 HB3 LEU A 77 -13.156 0.798 -1.457 1.00 12.01 H new ATOM 0 HG LEU A 77 -11.559 2.259 0.617 1.00 11.30 H new ATOM 0 HD11 LEU A 77 -10.000 3.042 -1.123 1.00 62.11 H new ATOM 0 HD12 LEU A 77 -9.859 1.289 -0.851 1.00 62.11 H new ATOM 0 HD13 LEU A 77 -10.725 1.901 -2.280 1.00 62.11 H new ATOM 0 HD21 LEU A 77 -12.161 4.187 -0.797 1.00 70.35 H new ATOM 0 HD22 LEU A 77 -12.970 3.090 -1.941 1.00 70.35 H new ATOM 0 HD23 LEU A 77 -13.598 3.270 -0.285 1.00 70.35 H new ATOM 1156 N LEU A 78 -13.380 -2.059 0.417 1.00 14.32 N ATOM 1157 CA LEU A 78 -13.940 -3.381 0.154 1.00 11.32 C ATOM 1158 C LEU A 78 -15.213 -3.603 0.965 1.00 71.11 C ATOM 1159 O LEU A 78 -16.154 -4.243 0.497 1.00 65.12 O ATOM 1160 CB LEU A 78 -12.915 -4.465 0.487 1.00 64.10 C ATOM 1161 CG LEU A 78 -11.855 -4.738 -0.582 1.00 54.35 C ATOM 1162 CD1 LEU A 78 -10.728 -3.722 -0.489 1.00 75.13 C ATOM 1163 CD2 LEU A 78 -11.313 -6.154 -0.447 1.00 50.30 C ATOM 0 H LEU A 78 -12.394 -2.063 0.676 1.00 14.32 H new ATOM 0 HA LEU A 78 -14.190 -3.439 -0.905 1.00 11.32 H new ATOM 0 HB2 LEU A 78 -12.408 -4.186 1.410 1.00 64.10 H new ATOM 0 HB3 LEU A 78 -13.450 -5.394 0.686 1.00 64.10 H new ATOM 0 HG LEU A 78 -12.322 -4.642 -1.562 1.00 54.35 H new ATOM 0 HD11 LEU A 78 -9.984 -3.933 -1.257 1.00 75.13 H new ATOM 0 HD12 LEU A 78 -11.129 -2.719 -0.637 1.00 75.13 H new ATOM 0 HD13 LEU A 78 -10.262 -3.785 0.494 1.00 75.13 H new ATOM 0 HD21 LEU A 78 -10.560 -6.330 -1.215 1.00 50.30 H new ATOM 0 HD22 LEU A 78 -10.862 -6.279 0.538 1.00 50.30 H new ATOM 0 HD23 LEU A 78 -12.128 -6.868 -0.566 1.00 50.30 H new ATOM 1175 N GLU A 79 -15.235 -3.068 2.182 1.00 1.22 N ATOM 1176 CA GLU A 79 -16.394 -3.208 3.056 1.00 55.01 C ATOM 1177 C GLU A 79 -17.488 -2.215 2.671 1.00 32.44 C ATOM 1178 O GLU A 79 -18.676 -2.484 2.847 1.00 61.31 O ATOM 1179 CB GLU A 79 -15.988 -2.996 4.516 1.00 43.04 C ATOM 1180 CG GLU A 79 -15.067 -4.078 5.053 1.00 24.52 C ATOM 1181 CD GLU A 79 -15.188 -4.254 6.555 1.00 42.02 C ATOM 1182 OE1 GLU A 79 -16.283 -4.628 7.022 1.00 73.21 O ATOM 1183 OE2 GLU A 79 -14.185 -4.018 7.262 1.00 75.10 O ATOM 0 H GLU A 79 -14.465 -2.534 2.585 1.00 1.22 H new ATOM 0 HA GLU A 79 -16.786 -4.218 2.939 1.00 55.01 H new ATOM 0 HB2 GLU A 79 -15.493 -2.029 4.610 1.00 43.04 H new ATOM 0 HB3 GLU A 79 -16.886 -2.956 5.132 1.00 43.04 H new ATOM 0 HG2 GLU A 79 -15.297 -5.023 4.560 1.00 24.52 H new ATOM 0 HG3 GLU A 79 -14.036 -3.830 4.802 1.00 24.52 H new ATOM 1190 N LYS A 80 -17.078 -1.065 2.147 1.00 22.24 N ATOM 1191 CA LYS A 80 -18.021 -0.032 1.738 1.00 42.51 C ATOM 1192 C LYS A 80 -18.775 -0.451 0.480 1.00 43.13 C ATOM 1193 O LYS A 80 -20.002 -0.362 0.421 1.00 3.43 O ATOM 1194 CB LYS A 80 -17.286 1.288 1.488 1.00 71.00 C ATOM 1195 CG LYS A 80 -18.168 2.514 1.644 1.00 42.44 C ATOM 1196 CD LYS A 80 -18.395 2.856 3.106 1.00 24.21 C ATOM 1197 CE LYS A 80 -18.934 4.269 3.272 1.00 44.54 C ATOM 1198 NZ LYS A 80 -17.838 5.268 3.413 1.00 73.21 N ATOM 0 H LYS A 80 -16.098 -0.825 1.996 1.00 22.24 H new ATOM 0 HA LYS A 80 -18.742 0.107 2.544 1.00 42.51 H new ATOM 0 HB2 LYS A 80 -16.447 1.364 2.180 1.00 71.00 H new ATOM 0 HB3 LYS A 80 -16.869 1.277 0.481 1.00 71.00 H new ATOM 0 HG2 LYS A 80 -17.706 3.362 1.139 1.00 42.44 H new ATOM 0 HG3 LYS A 80 -19.127 2.337 1.158 1.00 42.44 H new ATOM 0 HD2 LYS A 80 -19.096 2.145 3.542 1.00 24.21 H new ATOM 0 HD3 LYS A 80 -17.458 2.756 3.654 1.00 24.21 H new ATOM 0 HE2 LYS A 80 -19.551 4.526 2.411 1.00 44.54 H new ATOM 0 HE3 LYS A 80 -19.579 4.311 4.150 1.00 44.54 H new ATOM 0 HZ1 LYS A 80 -18.246 6.218 3.524 1.00 73.21 H new ATOM 0 HZ2 LYS A 80 -17.264 5.038 4.249 1.00 73.21 H new ATOM 0 HZ3 LYS A 80 -17.237 5.246 2.564 1.00 73.21 H new ATOM 1212 N LYS A 81 -18.036 -0.911 -0.523 1.00 24.23 N ATOM 1213 CA LYS A 81 -18.633 -1.348 -1.779 1.00 53.01 C ATOM 1214 C LYS A 81 -19.598 -2.506 -1.547 1.00 63.13 C ATOM 1215 O LYS A 81 -19.527 -3.192 -0.528 1.00 5.43 O ATOM 1216 CB LYS A 81 -17.544 -1.766 -2.769 1.00 10.13 C ATOM 1217 CG LYS A 81 -16.893 -3.095 -2.430 1.00 25.52 C ATOM 1218 CD LYS A 81 -15.843 -3.480 -3.459 1.00 74.41 C ATOM 1219 CE LYS A 81 -15.680 -4.990 -3.550 1.00 62.33 C ATOM 1220 NZ LYS A 81 -15.222 -5.577 -2.261 1.00 72.24 N ATOM 0 H LYS A 81 -17.020 -0.991 -0.490 1.00 24.23 H new ATOM 0 HA LYS A 81 -19.191 -0.511 -2.198 1.00 53.01 H new ATOM 0 HB2 LYS A 81 -17.976 -1.827 -3.768 1.00 10.13 H new ATOM 0 HB3 LYS A 81 -16.777 -0.992 -2.800 1.00 10.13 H new ATOM 0 HG2 LYS A 81 -16.432 -3.035 -1.444 1.00 25.52 H new ATOM 0 HG3 LYS A 81 -17.656 -3.872 -2.379 1.00 25.52 H new ATOM 0 HD2 LYS A 81 -16.125 -3.084 -4.434 1.00 74.41 H new ATOM 0 HD3 LYS A 81 -14.888 -3.025 -3.194 1.00 74.41 H new ATOM 0 HE2 LYS A 81 -16.630 -5.441 -3.837 1.00 62.33 H new ATOM 0 HE3 LYS A 81 -14.962 -5.231 -4.334 1.00 62.33 H new ATOM 0 HZ1 LYS A 81 -15.237 -6.615 -2.327 1.00 72.24 H new ATOM 0 HZ2 LYS A 81 -14.254 -5.257 -2.058 1.00 72.24 H new ATOM 0 HZ3 LYS A 81 -15.855 -5.270 -1.495 1.00 72.24 H new ATOM 1234 N ALA A 82 -20.498 -2.722 -2.502 1.00 2.43 N ATOM 1235 CA ALA A 82 -21.473 -3.800 -2.403 1.00 41.12 C ATOM 1236 C ALA A 82 -22.357 -3.629 -1.173 1.00 30.52 C ATOM 1237 O ALA A 82 -22.825 -4.611 -0.592 1.00 14.53 O ATOM 1238 CB ALA A 82 -20.768 -5.147 -2.367 1.00 65.23 C ATOM 0 H ALA A 82 -20.571 -2.164 -3.353 1.00 2.43 H new ATOM 0 HA ALA A 82 -22.112 -3.761 -3.285 1.00 41.12 H new ATOM 0 HB1 ALA A 82 -21.509 -5.943 -2.293 1.00 65.23 H new ATOM 0 HB2 ALA A 82 -20.185 -5.277 -3.279 1.00 65.23 H new ATOM 0 HB3 ALA A 82 -20.104 -5.187 -1.503 1.00 65.23 H new TER 1244 ALA A 82