USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 975 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 103 MET CE :methyl -140:sc= -1.33 (180deg=-3.16!) USER MOD Set 1.2: A 106 THR OG1 : rot -80:sc= -0.329 USER MOD Set 1.3: A 107 THR OG1 : rot 95:sc= 1.12 USER MOD Single : A 3 SER OG : rot 32:sc= 0.182 USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 135:sc= 0.815 (180deg=-0.075) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.0716 X(o=-0.072,f=-0.29) USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0264) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.0561 X(o=-0.056,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.112) USER MOD Single : A 42 THR OG1 : rot -18:sc= 0.488 USER MOD Single : A 43 MET CE :methyl -132:sc= -4.31! (180deg=-6.33!) USER MOD Single : A 44 ASN : amide:sc= -0.596 K(o=-0.6,f=-5.8!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -1.31 K(o=-1.3,f=-3!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -116:sc= -0.391 (180deg=-2.01!) USER MOD Single : A 73 SER OG : rot -87:sc= 0.246 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -128:sc= -0.358 (180deg=-3.85!) USER MOD Single : A 88 HIS : no HD1:sc= -0.59 X(o=-0.59,f=-0.45) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.771 USER MOD Single : A 97 ASN : amide:sc= -0.269 X(o=-0.27,f=-0.074!) USER MOD Single : A 100 LYS NZ :NH3+ -119:sc= -0.34 (180deg=-1.7) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.275) USER MOD Single : A 117 HIS : no HE2:sc= -1.4 K(o=-1.4,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 3 2.028 -1.856 0.982 1.00 72.52 N ATOM 2 CA SER A 3 2.291 -0.860 -0.050 1.00 61.41 C ATOM 3 C SER A 3 1.691 -1.290 -1.385 1.00 63.05 C ATOM 4 O SER A 3 1.429 -2.471 -1.609 1.00 50.11 O ATOM 5 CB SER A 3 3.797 -0.639 -0.202 1.00 41.43 C ATOM 6 OG SER A 3 4.402 -0.369 1.051 1.00 62.54 O ATOM 0 HA SER A 3 1.822 0.076 0.254 1.00 61.41 H new ATOM 0 HB2 SER A 3 4.254 -1.523 -0.647 1.00 41.43 H new ATOM 0 HB3 SER A 3 3.979 0.192 -0.884 1.00 41.43 H new ATOM 0 HG SER A 3 3.919 -0.847 1.757 1.00 62.54 H new ATOM 12 N ASN A 4 1.477 -0.321 -2.270 1.00 20.22 N ATOM 13 CA ASN A 4 0.908 -0.598 -3.584 1.00 15.14 C ATOM 14 C ASN A 4 1.863 -1.438 -4.425 1.00 24.42 C ATOM 15 O ASN A 4 1.456 -2.410 -5.060 1.00 63.43 O ATOM 16 CB ASN A 4 0.587 0.710 -4.309 1.00 44.45 C ATOM 17 CG ASN A 4 0.209 0.489 -5.761 1.00 71.51 C ATOM 18 OD1 ASN A 4 -0.920 0.106 -6.068 1.00 54.53 O ATOM 19 ND2 ASN A 4 1.155 0.728 -6.662 1.00 73.41 N ATOM 0 H ASN A 4 1.689 0.662 -2.101 1.00 20.22 H new ATOM 0 HA ASN A 4 -0.013 -1.163 -3.442 1.00 15.14 H new ATOM 0 HB2 ASN A 4 -0.232 1.215 -3.796 1.00 44.45 H new ATOM 0 HB3 ASN A 4 1.452 1.372 -4.258 1.00 44.45 H new ATOM 0 HD21 ASN A 4 0.959 0.595 -7.654 1.00 73.41 H new ATOM 0 HD22 ASN A 4 2.077 1.044 -6.362 1.00 73.41 H new ATOM 26 N ALA A 5 3.136 -1.057 -4.423 1.00 4.22 N ATOM 27 CA ALA A 5 4.151 -1.776 -5.183 1.00 72.30 C ATOM 28 C ALA A 5 4.966 -2.695 -4.279 1.00 13.01 C ATOM 29 O ALA A 5 6.024 -3.187 -4.669 1.00 12.42 O ATOM 30 CB ALA A 5 5.064 -0.796 -5.904 1.00 23.02 C ATOM 0 H ALA A 5 3.489 -0.254 -3.903 1.00 4.22 H new ATOM 0 HA ALA A 5 3.644 -2.395 -5.923 1.00 72.30 H new ATOM 0 HB1 ALA A 5 5.817 -1.347 -6.467 1.00 23.02 H new ATOM 0 HB2 ALA A 5 4.475 -0.185 -6.588 1.00 23.02 H new ATOM 0 HB3 ALA A 5 5.556 -0.153 -5.174 1.00 23.02 H new ATOM 36 N GLY A 6 4.465 -2.922 -3.068 1.00 5.10 N ATOM 37 CA GLY A 6 5.161 -3.781 -2.127 1.00 51.41 C ATOM 38 C GLY A 6 5.172 -5.232 -2.565 1.00 43.55 C ATOM 39 O GLY A 6 6.040 -6.003 -2.158 1.00 63.04 O ATOM 0 H GLY A 6 3.591 -2.527 -2.722 1.00 5.10 H new ATOM 0 HA2 GLY A 6 6.187 -3.432 -2.011 1.00 51.41 H new ATOM 0 HA3 GLY A 6 4.686 -3.704 -1.149 1.00 51.41 H new ATOM 43 N ALA A 7 4.205 -5.605 -3.397 1.00 12.43 N ATOM 44 CA ALA A 7 4.107 -6.972 -3.891 1.00 22.54 C ATOM 45 C ALA A 7 5.232 -7.283 -4.872 1.00 25.53 C ATOM 46 O ALA A 7 5.797 -8.378 -4.857 1.00 11.25 O ATOM 47 CB ALA A 7 2.754 -7.201 -4.547 1.00 72.30 C ATOM 0 H ALA A 7 3.478 -4.979 -3.743 1.00 12.43 H new ATOM 0 HA ALA A 7 4.205 -7.647 -3.041 1.00 22.54 H new ATOM 0 HB1 ALA A 7 2.695 -8.227 -4.911 1.00 72.30 H new ATOM 0 HB2 ALA A 7 1.962 -7.029 -3.818 1.00 72.30 H new ATOM 0 HB3 ALA A 7 2.633 -6.512 -5.383 1.00 72.30 H new ATOM 53 N ILE A 8 5.553 -6.315 -5.724 1.00 31.35 N ATOM 54 CA ILE A 8 6.611 -6.487 -6.711 1.00 41.21 C ATOM 55 C ILE A 8 7.988 -6.409 -6.061 1.00 0.44 C ATOM 56 O ILE A 8 8.909 -7.129 -6.445 1.00 11.14 O ATOM 57 CB ILE A 8 6.520 -5.425 -7.824 1.00 22.55 C ATOM 58 CG1 ILE A 8 5.159 -5.499 -8.518 1.00 51.52 C ATOM 59 CG2 ILE A 8 7.645 -5.615 -8.830 1.00 24.32 C ATOM 60 CD1 ILE A 8 4.114 -4.598 -7.897 1.00 44.21 C ATOM 0 H ILE A 8 5.095 -5.404 -5.750 1.00 31.35 H new ATOM 0 HA ILE A 8 6.475 -7.475 -7.150 1.00 41.21 H new ATOM 0 HB ILE A 8 6.624 -4.438 -7.374 1.00 22.55 H new ATOM 0 HG12 ILE A 8 5.280 -5.231 -9.568 1.00 51.52 H new ATOM 0 HG13 ILE A 8 4.802 -6.528 -8.491 1.00 51.52 H new ATOM 0 HG21 ILE A 8 7.567 -4.858 -9.610 1.00 24.32 H new ATOM 0 HG22 ILE A 8 8.606 -5.518 -8.324 1.00 24.32 H new ATOM 0 HG23 ILE A 8 7.569 -6.606 -9.278 1.00 24.32 H new ATOM 0 HD11 ILE A 8 3.175 -4.702 -8.440 1.00 44.21 H new ATOM 0 HD12 ILE A 8 3.964 -4.880 -6.855 1.00 44.21 H new ATOM 0 HD13 ILE A 8 4.450 -3.562 -7.948 1.00 44.21 H new ATOM 72 N ALA A 9 8.120 -5.530 -5.072 1.00 64.12 N ATOM 73 CA ALA A 9 9.384 -5.360 -4.365 1.00 73.42 C ATOM 74 C ALA A 9 9.701 -6.581 -3.508 1.00 64.01 C ATOM 75 O ALA A 9 10.867 -6.918 -3.297 1.00 34.23 O ATOM 76 CB ALA A 9 9.343 -4.106 -3.506 1.00 0.44 C ATOM 0 H ALA A 9 7.368 -4.925 -4.743 1.00 64.12 H new ATOM 0 HA ALA A 9 10.176 -5.253 -5.106 1.00 73.42 H new ATOM 0 HB1 ALA A 9 10.293 -3.991 -2.984 1.00 0.44 H new ATOM 0 HB2 ALA A 9 9.170 -3.236 -4.140 1.00 0.44 H new ATOM 0 HB3 ALA A 9 8.536 -4.190 -2.778 1.00 0.44 H new ATOM 82 N LYS A 10 8.658 -7.240 -3.016 1.00 21.13 N ATOM 83 CA LYS A 10 8.825 -8.424 -2.181 1.00 71.34 C ATOM 84 C LYS A 10 9.390 -9.586 -2.992 1.00 71.05 C ATOM 85 O LYS A 10 9.862 -10.576 -2.432 1.00 44.01 O ATOM 86 CB LYS A 10 7.487 -8.827 -1.558 1.00 55.10 C ATOM 87 CG LYS A 10 7.599 -9.963 -0.557 1.00 23.42 C ATOM 88 CD LYS A 10 6.467 -9.929 0.456 1.00 1.30 C ATOM 89 CE LYS A 10 6.405 -11.214 1.267 1.00 5.23 C ATOM 90 NZ LYS A 10 5.225 -11.241 2.174 1.00 12.05 N ATOM 0 H LYS A 10 7.687 -6.974 -3.181 1.00 21.13 H new ATOM 0 HA LYS A 10 9.530 -8.181 -1.386 1.00 71.34 H new ATOM 0 HB2 LYS A 10 7.051 -7.960 -1.063 1.00 55.10 H new ATOM 0 HB3 LYS A 10 6.800 -9.120 -2.352 1.00 55.10 H new ATOM 0 HG2 LYS A 10 7.587 -10.917 -1.085 1.00 23.42 H new ATOM 0 HG3 LYS A 10 8.555 -9.898 -0.038 1.00 23.42 H new ATOM 0 HD2 LYS A 10 6.603 -9.081 1.127 1.00 1.30 H new ATOM 0 HD3 LYS A 10 5.519 -9.778 -0.061 1.00 1.30 H new ATOM 0 HE2 LYS A 10 6.363 -12.068 0.591 1.00 5.23 H new ATOM 0 HE3 LYS A 10 7.317 -11.317 1.855 1.00 5.23 H new ATOM 0 HZ1 LYS A 10 5.219 -12.133 2.709 1.00 12.05 H new ATOM 0 HZ2 LYS A 10 5.277 -10.440 2.836 1.00 12.05 H new ATOM 0 HZ3 LYS A 10 4.353 -11.169 1.612 1.00 12.05 H new ATOM 104 N LEU A 11 9.340 -9.459 -4.314 1.00 14.32 N ATOM 105 CA LEU A 11 9.848 -10.498 -5.203 1.00 1.25 C ATOM 106 C LEU A 11 11.366 -10.410 -5.330 1.00 75.44 C ATOM 107 O LEU A 11 12.029 -11.397 -5.650 1.00 61.22 O ATOM 108 CB LEU A 11 9.201 -10.377 -6.583 1.00 72.32 C ATOM 109 CG LEU A 11 7.719 -9.999 -6.599 1.00 44.42 C ATOM 110 CD1 LEU A 11 7.197 -9.946 -8.027 1.00 22.24 C ATOM 111 CD2 LEU A 11 6.908 -10.982 -5.768 1.00 64.34 C ATOM 0 H LEU A 11 8.953 -8.646 -4.794 1.00 14.32 H new ATOM 0 HA LEU A 11 9.593 -11.467 -4.774 1.00 1.25 H new ATOM 0 HB2 LEU A 11 9.752 -9.631 -7.156 1.00 72.32 H new ATOM 0 HB3 LEU A 11 9.318 -11.328 -7.102 1.00 72.32 H new ATOM 0 HG LEU A 11 7.612 -9.008 -6.158 1.00 44.42 H new ATOM 0 HD11 LEU A 11 6.141 -9.676 -8.019 1.00 22.24 H new ATOM 0 HD12 LEU A 11 7.758 -9.201 -8.592 1.00 22.24 H new ATOM 0 HD13 LEU A 11 7.318 -10.923 -8.495 1.00 22.24 H new ATOM 0 HD21 LEU A 11 5.856 -10.697 -5.791 1.00 64.34 H new ATOM 0 HD22 LEU A 11 7.021 -11.985 -6.178 1.00 64.34 H new ATOM 0 HD23 LEU A 11 7.265 -10.969 -4.738 1.00 64.34 H new ATOM 123 N ILE A 12 11.908 -9.224 -5.077 1.00 21.34 N ATOM 124 CA ILE A 12 13.347 -9.010 -5.160 1.00 43.41 C ATOM 125 C ILE A 12 14.099 -9.955 -4.229 1.00 41.31 C ATOM 126 O ILE A 12 14.956 -10.731 -4.652 1.00 4.32 O ATOM 127 CB ILE A 12 13.721 -7.557 -4.810 1.00 21.11 C ATOM 128 CG1 ILE A 12 13.666 -6.678 -6.061 1.00 10.43 C ATOM 129 CG2 ILE A 12 15.104 -7.504 -4.179 1.00 3.33 C ATOM 130 CD1 ILE A 12 14.722 -7.021 -7.088 1.00 31.01 C ATOM 0 H ILE A 12 11.373 -8.397 -4.813 1.00 21.34 H new ATOM 0 HA ILE A 12 13.637 -9.213 -6.191 1.00 43.41 H new ATOM 0 HB ILE A 12 12.999 -7.175 -4.088 1.00 21.11 H new ATOM 0 HG12 ILE A 12 12.681 -6.773 -6.519 1.00 10.43 H new ATOM 0 HG13 ILE A 12 13.782 -5.635 -5.767 1.00 10.43 H new ATOM 0 HG21 ILE A 12 15.354 -6.471 -3.937 1.00 3.33 H new ATOM 0 HG22 ILE A 12 15.111 -8.102 -3.268 1.00 3.33 H new ATOM 0 HG23 ILE A 12 15.839 -7.901 -4.879 1.00 3.33 H new ATOM 0 HD11 ILE A 12 14.623 -6.358 -7.947 1.00 31.01 H new ATOM 0 HD12 ILE A 12 15.711 -6.898 -6.647 1.00 31.01 H new ATOM 0 HD13 ILE A 12 14.594 -8.054 -7.410 1.00 31.01 H new ATOM 142 N PRO A 13 13.771 -9.891 -2.930 1.00 74.12 N ATOM 143 CA PRO A 13 14.401 -10.736 -1.912 1.00 24.12 C ATOM 144 C PRO A 13 13.998 -12.201 -2.043 1.00 11.21 C ATOM 145 O PRO A 13 14.627 -13.084 -1.459 1.00 14.44 O ATOM 146 CB PRO A 13 13.881 -10.154 -0.595 1.00 54.25 C ATOM 147 CG PRO A 13 12.588 -9.505 -0.953 1.00 42.03 C ATOM 148 CD PRO A 13 12.758 -8.990 -2.356 1.00 12.33 C ATOM 0 HA PRO A 13 15.488 -10.732 -1.996 1.00 24.12 H new ATOM 0 HB2 PRO A 13 13.739 -10.933 0.154 1.00 54.25 H new ATOM 0 HB3 PRO A 13 14.583 -9.433 -0.176 1.00 54.25 H new ATOM 0 HG2 PRO A 13 11.765 -10.217 -0.896 1.00 42.03 H new ATOM 0 HG3 PRO A 13 12.355 -8.693 -0.265 1.00 42.03 H new ATOM 0 HD2 PRO A 13 11.823 -9.029 -2.914 1.00 12.33 H new ATOM 0 HD3 PRO A 13 13.092 -7.952 -2.365 1.00 12.33 H new ATOM 156 N LYS A 14 12.946 -12.453 -2.814 1.00 35.13 N ATOM 157 CA LYS A 14 12.458 -13.811 -3.024 1.00 23.23 C ATOM 158 C LYS A 14 13.441 -14.617 -3.867 1.00 72.42 C ATOM 159 O LYS A 14 13.667 -15.801 -3.613 1.00 24.21 O ATOM 160 CB LYS A 14 11.088 -13.784 -3.705 1.00 0.14 C ATOM 161 CG LYS A 14 9.947 -14.195 -2.791 1.00 35.11 C ATOM 162 CD LYS A 14 8.630 -14.278 -3.546 1.00 24.44 C ATOM 163 CE LYS A 14 8.346 -15.697 -4.015 1.00 51.23 C ATOM 164 NZ LYS A 14 7.816 -16.550 -2.915 1.00 43.44 N ATOM 0 H LYS A 14 12.414 -11.734 -3.304 1.00 35.13 H new ATOM 0 HA LYS A 14 12.362 -14.291 -2.050 1.00 23.23 H new ATOM 0 HB2 LYS A 14 10.898 -12.778 -4.080 1.00 0.14 H new ATOM 0 HB3 LYS A 14 11.108 -14.448 -4.569 1.00 0.14 H new ATOM 0 HG2 LYS A 14 10.171 -15.162 -2.340 1.00 35.11 H new ATOM 0 HG3 LYS A 14 9.856 -13.477 -1.976 1.00 35.11 H new ATOM 0 HD2 LYS A 14 7.819 -13.937 -2.903 1.00 24.44 H new ATOM 0 HD3 LYS A 14 8.659 -13.608 -4.406 1.00 24.44 H new ATOM 0 HE2 LYS A 14 7.627 -15.672 -4.833 1.00 51.23 H new ATOM 0 HE3 LYS A 14 9.261 -16.139 -4.409 1.00 51.23 H new ATOM 0 HZ1 LYS A 14 7.006 -17.101 -3.263 1.00 43.44 H new ATOM 0 HZ2 LYS A 14 8.561 -17.198 -2.589 1.00 43.44 H new ATOM 0 HZ3 LYS A 14 7.511 -15.947 -2.124 1.00 43.44 H new ATOM 178 N LEU A 15 14.023 -13.969 -4.870 1.00 74.43 N ATOM 179 CA LEU A 15 14.983 -14.626 -5.751 1.00 32.03 C ATOM 180 C LEU A 15 16.378 -14.622 -5.134 1.00 70.12 C ATOM 181 O LEU A 15 17.090 -15.624 -5.178 1.00 71.40 O ATOM 182 CB LEU A 15 15.013 -13.932 -7.113 1.00 50.43 C ATOM 183 CG LEU A 15 13.849 -14.247 -8.053 1.00 54.51 C ATOM 184 CD1 LEU A 15 13.605 -13.088 -9.008 1.00 14.04 C ATOM 185 CD2 LEU A 15 14.119 -15.529 -8.826 1.00 41.02 C ATOM 0 H LEU A 15 13.847 -12.989 -5.094 1.00 74.43 H new ATOM 0 HA LEU A 15 14.668 -15.661 -5.885 1.00 32.03 H new ATOM 0 HB2 LEU A 15 15.040 -12.855 -6.949 1.00 50.43 H new ATOM 0 HB3 LEU A 15 15.942 -14.201 -7.615 1.00 50.43 H new ATOM 0 HG LEU A 15 12.951 -14.391 -7.452 1.00 54.51 H new ATOM 0 HD11 LEU A 15 12.773 -13.330 -9.669 1.00 14.04 H new ATOM 0 HD12 LEU A 15 13.366 -12.191 -8.437 1.00 14.04 H new ATOM 0 HD13 LEU A 15 14.501 -12.911 -9.602 1.00 14.04 H new ATOM 0 HD21 LEU A 15 13.280 -15.737 -9.490 1.00 41.02 H new ATOM 0 HD22 LEU A 15 15.028 -15.414 -9.416 1.00 41.02 H new ATOM 0 HD23 LEU A 15 14.243 -16.356 -8.127 1.00 41.02 H new ATOM 197 N GLY A 16 16.762 -13.487 -4.558 1.00 34.04 N ATOM 198 CA GLY A 16 18.069 -13.375 -3.938 1.00 43.43 C ATOM 199 C GLY A 16 18.339 -14.489 -2.946 1.00 54.52 C ATOM 200 O GLY A 16 19.487 -14.875 -2.735 1.00 65.43 O ATOM 0 H GLY A 16 16.191 -12.643 -4.510 1.00 34.04 H new ATOM 0 HA2 GLY A 16 18.837 -13.388 -4.712 1.00 43.43 H new ATOM 0 HA3 GLY A 16 18.145 -12.414 -3.430 1.00 43.43 H new ATOM 204 N GLU A 17 17.277 -15.004 -2.335 1.00 13.14 N ATOM 205 CA GLU A 17 17.406 -16.078 -1.357 1.00 74.32 C ATOM 206 C GLU A 17 18.037 -17.316 -1.989 1.00 55.20 C ATOM 207 O GLU A 17 18.760 -18.064 -1.329 1.00 55.33 O ATOM 208 CB GLU A 17 16.037 -16.433 -0.772 1.00 52.42 C ATOM 209 CG GLU A 17 16.044 -16.593 0.739 1.00 72.53 C ATOM 210 CD GLU A 17 16.506 -15.340 1.457 1.00 63.53 C ATOM 211 OE1 GLU A 17 15.827 -14.300 1.333 1.00 31.21 O ATOM 212 OE2 GLU A 17 17.548 -15.401 2.143 1.00 62.03 O ATOM 0 H GLU A 17 16.319 -14.695 -2.500 1.00 13.14 H new ATOM 0 HA GLU A 17 18.056 -15.728 -0.555 1.00 74.32 H new ATOM 0 HB2 GLU A 17 15.323 -15.656 -1.043 1.00 52.42 H new ATOM 0 HB3 GLU A 17 15.687 -17.360 -1.226 1.00 52.42 H new ATOM 0 HG2 GLU A 17 15.041 -16.852 1.078 1.00 72.53 H new ATOM 0 HG3 GLU A 17 16.696 -17.423 1.010 1.00 72.53 H new ATOM 219 N LEU A 18 17.758 -17.526 -3.271 1.00 15.33 N ATOM 220 CA LEU A 18 18.297 -18.673 -3.993 1.00 53.43 C ATOM 221 C LEU A 18 19.695 -18.373 -4.524 1.00 60.52 C ATOM 222 O LEU A 18 20.362 -19.250 -5.075 1.00 63.02 O ATOM 223 CB LEU A 18 17.370 -19.053 -5.150 1.00 24.35 C ATOM 224 CG LEU A 18 16.330 -20.133 -4.849 1.00 1.23 C ATOM 225 CD1 LEU A 18 17.009 -21.421 -4.410 1.00 62.03 C ATOM 226 CD2 LEU A 18 15.355 -19.652 -3.783 1.00 65.25 C ATOM 0 H LEU A 18 17.162 -16.917 -3.832 1.00 15.33 H new ATOM 0 HA LEU A 18 18.364 -19.511 -3.299 1.00 53.43 H new ATOM 0 HB2 LEU A 18 16.847 -18.155 -5.480 1.00 24.35 H new ATOM 0 HB3 LEU A 18 17.984 -19.390 -5.985 1.00 24.35 H new ATOM 0 HG LEU A 18 15.770 -20.335 -5.762 1.00 1.23 H new ATOM 0 HD11 LEU A 18 16.253 -22.178 -4.200 1.00 62.03 H new ATOM 0 HD12 LEU A 18 17.666 -21.775 -5.204 1.00 62.03 H new ATOM 0 HD13 LEU A 18 17.595 -21.235 -3.510 1.00 62.03 H new ATOM 0 HD21 LEU A 18 14.622 -20.433 -3.581 1.00 65.25 H new ATOM 0 HD22 LEU A 18 15.901 -19.422 -2.868 1.00 65.25 H new ATOM 0 HD23 LEU A 18 14.843 -18.756 -4.135 1.00 65.25 H new ATOM 238 N LEU A 19 20.134 -17.131 -4.353 1.00 72.41 N ATOM 239 CA LEU A 19 21.455 -16.716 -4.813 1.00 34.41 C ATOM 240 C LEU A 19 22.467 -16.761 -3.673 1.00 11.33 C ATOM 241 O LEU A 19 23.658 -16.526 -3.877 1.00 0.45 O ATOM 242 CB LEU A 19 21.392 -15.305 -5.400 1.00 32.13 C ATOM 243 CG LEU A 19 21.630 -15.193 -6.906 1.00 60.40 C ATOM 244 CD1 LEU A 19 20.740 -16.168 -7.661 1.00 31.30 C ATOM 245 CD2 LEU A 19 21.386 -13.768 -7.380 1.00 73.33 C ATOM 0 H LEU A 19 19.595 -16.394 -3.899 1.00 72.41 H new ATOM 0 HA LEU A 19 21.778 -17.411 -5.588 1.00 34.41 H new ATOM 0 HB2 LEU A 19 20.413 -14.883 -5.175 1.00 32.13 H new ATOM 0 HB3 LEU A 19 22.130 -14.687 -4.889 1.00 32.13 H new ATOM 0 HG LEU A 19 22.670 -15.449 -7.110 1.00 60.40 H new ATOM 0 HD11 LEU A 19 20.923 -16.074 -8.731 1.00 31.30 H new ATOM 0 HD12 LEU A 19 20.964 -17.186 -7.343 1.00 31.30 H new ATOM 0 HD13 LEU A 19 19.694 -15.944 -7.451 1.00 31.30 H new ATOM 0 HD21 LEU A 19 21.560 -13.707 -8.454 1.00 73.33 H new ATOM 0 HD22 LEU A 19 20.357 -13.483 -7.163 1.00 73.33 H new ATOM 0 HD23 LEU A 19 22.066 -13.091 -6.863 1.00 73.33 H new ATOM 257 N VAL A 20 21.985 -17.066 -2.472 1.00 2.10 N ATOM 258 CA VAL A 20 22.848 -17.145 -1.299 1.00 42.25 C ATOM 259 C VAL A 20 23.606 -18.467 -1.263 1.00 34.44 C ATOM 260 O VAL A 20 24.667 -18.570 -0.649 1.00 31.21 O ATOM 261 CB VAL A 20 22.041 -16.992 0.003 1.00 14.21 C ATOM 262 CG1 VAL A 20 21.191 -15.731 -0.040 1.00 74.14 C ATOM 263 CG2 VAL A 20 21.175 -18.220 0.241 1.00 64.25 C ATOM 0 H VAL A 20 21.002 -17.262 -2.286 1.00 2.10 H new ATOM 0 HA VAL A 20 23.560 -16.323 -1.374 1.00 42.25 H new ATOM 0 HB VAL A 20 22.740 -16.902 0.834 1.00 14.21 H new ATOM 0 HG11 VAL A 20 20.628 -15.640 0.889 1.00 74.14 H new ATOM 0 HG12 VAL A 20 21.837 -14.861 -0.160 1.00 74.14 H new ATOM 0 HG13 VAL A 20 20.499 -15.787 -0.880 1.00 74.14 H new ATOM 0 HG21 VAL A 20 20.612 -18.094 1.166 1.00 64.25 H new ATOM 0 HG22 VAL A 20 20.483 -18.344 -0.592 1.00 64.25 H new ATOM 0 HG23 VAL A 20 21.809 -19.103 0.320 1.00 64.25 H new ATOM 273 N GLY A 21 23.052 -19.479 -1.925 1.00 43.21 N ATOM 274 CA GLY A 21 23.689 -20.782 -1.956 1.00 24.41 C ATOM 275 C GLY A 21 22.937 -21.815 -1.140 1.00 51.12 C ATOM 276 O GLY A 21 23.473 -22.877 -0.826 1.00 72.13 O ATOM 0 H GLY A 21 22.174 -19.419 -2.440 1.00 43.21 H new ATOM 0 HA2 GLY A 21 23.762 -21.123 -2.989 1.00 24.41 H new ATOM 0 HA3 GLY A 21 24.707 -20.694 -1.576 1.00 24.41 H new ATOM 280 N GLU A 22 21.692 -21.502 -0.795 1.00 11.40 N ATOM 281 CA GLU A 22 20.866 -22.410 -0.008 1.00 64.33 C ATOM 282 C GLU A 22 19.871 -23.150 -0.898 1.00 44.21 C ATOM 283 O GLU A 22 18.690 -22.807 -0.944 1.00 74.44 O ATOM 284 CB GLU A 22 20.118 -21.641 1.082 1.00 1.50 C ATOM 285 CG GLU A 22 20.886 -21.535 2.389 1.00 70.31 C ATOM 286 CD GLU A 22 20.385 -20.408 3.271 1.00 43.24 C ATOM 287 OE1 GLU A 22 19.161 -20.160 3.281 1.00 64.53 O ATOM 288 OE2 GLU A 22 21.218 -19.773 3.951 1.00 43.21 O ATOM 0 H GLU A 22 21.233 -20.627 -1.048 1.00 11.40 H new ATOM 0 HA GLU A 22 21.523 -23.143 0.461 1.00 64.33 H new ATOM 0 HB2 GLU A 22 19.895 -20.638 0.719 1.00 1.50 H new ATOM 0 HB3 GLU A 22 19.163 -22.131 1.270 1.00 1.50 H new ATOM 0 HG2 GLU A 22 20.806 -22.478 2.930 1.00 70.31 H new ATOM 0 HG3 GLU A 22 21.943 -21.380 2.173 1.00 70.31 H new ATOM 295 N TYR A 23 20.358 -24.165 -1.603 1.00 44.44 N ATOM 296 CA TYR A 23 19.514 -24.951 -2.494 1.00 73.14 C ATOM 297 C TYR A 23 20.251 -26.192 -2.989 1.00 53.02 C ATOM 298 O TYR A 23 21.476 -26.277 -2.904 1.00 40.55 O ATOM 299 CB TYR A 23 19.064 -24.103 -3.685 1.00 54.01 C ATOM 300 CG TYR A 23 20.209 -23.494 -4.462 1.00 51.01 C ATOM 301 CD1 TYR A 23 20.780 -22.291 -4.067 1.00 40.54 C ATOM 302 CD2 TYR A 23 20.720 -24.123 -5.591 1.00 4.14 C ATOM 303 CE1 TYR A 23 21.826 -21.730 -4.775 1.00 31.31 C ATOM 304 CE2 TYR A 23 21.767 -23.571 -6.303 1.00 41.34 C ATOM 305 CZ TYR A 23 22.316 -22.374 -5.892 1.00 21.11 C ATOM 306 OH TYR A 23 23.359 -21.820 -6.598 1.00 52.05 O ATOM 0 H TYR A 23 21.333 -24.463 -1.574 1.00 44.44 H new ATOM 0 HA TYR A 23 18.637 -25.271 -1.932 1.00 73.14 H new ATOM 0 HB2 TYR A 23 18.469 -24.722 -4.357 1.00 54.01 H new ATOM 0 HB3 TYR A 23 18.414 -23.305 -3.327 1.00 54.01 H new ATOM 0 HD1 TYR A 23 20.400 -21.785 -3.192 1.00 40.54 H new ATOM 0 HD2 TYR A 23 20.291 -25.059 -5.917 1.00 4.14 H new ATOM 0 HE1 TYR A 23 22.257 -20.793 -4.456 1.00 31.31 H new ATOM 0 HE2 TYR A 23 22.154 -24.074 -7.177 1.00 41.34 H new ATOM 0 HH TYR A 23 23.585 -22.399 -7.356 1.00 52.05 H new ATOM 316 N LYS A 24 19.494 -27.154 -3.507 1.00 44.22 N ATOM 317 CA LYS A 24 20.073 -28.391 -4.018 1.00 53.25 C ATOM 318 C LYS A 24 20.004 -28.435 -5.542 1.00 13.24 C ATOM 319 O LYS A 24 19.373 -29.322 -6.119 1.00 45.44 O ATOM 320 CB LYS A 24 19.344 -29.601 -3.429 1.00 53.52 C ATOM 321 CG LYS A 24 20.017 -30.926 -3.739 1.00 30.43 C ATOM 322 CD LYS A 24 21.004 -31.318 -2.652 1.00 1.32 C ATOM 323 CE LYS A 24 21.549 -32.721 -2.872 1.00 52.43 C ATOM 324 NZ LYS A 24 22.697 -32.727 -3.821 1.00 75.21 N ATOM 0 H LYS A 24 18.478 -27.101 -3.584 1.00 44.22 H new ATOM 0 HA LYS A 24 21.120 -28.424 -3.718 1.00 53.25 H new ATOM 0 HB2 LYS A 24 19.275 -29.482 -2.348 1.00 53.52 H new ATOM 0 HB3 LYS A 24 18.324 -29.622 -3.813 1.00 53.52 H new ATOM 0 HG2 LYS A 24 19.261 -31.704 -3.843 1.00 30.43 H new ATOM 0 HG3 LYS A 24 20.536 -30.857 -4.695 1.00 30.43 H new ATOM 0 HD2 LYS A 24 21.828 -30.605 -2.634 1.00 1.32 H new ATOM 0 HD3 LYS A 24 20.515 -31.265 -1.679 1.00 1.32 H new ATOM 0 HE2 LYS A 24 21.865 -33.142 -1.917 1.00 52.43 H new ATOM 0 HE3 LYS A 24 20.756 -33.363 -3.257 1.00 52.43 H new ATOM 0 HZ1 LYS A 24 23.040 -33.701 -3.945 1.00 75.21 H new ATOM 0 HZ2 LYS A 24 22.390 -32.349 -4.740 1.00 75.21 H new ATOM 0 HZ3 LYS A 24 23.464 -32.135 -3.442 1.00 75.21 H new ATOM 338 N LEU A 25 20.656 -27.474 -6.187 1.00 22.23 N ATOM 339 CA LEU A 25 20.670 -27.404 -7.644 1.00 22.22 C ATOM 340 C LEU A 25 22.084 -27.165 -8.164 1.00 0.21 C ATOM 341 O LEU A 25 23.011 -26.929 -7.388 1.00 14.51 O ATOM 342 CB LEU A 25 19.741 -26.291 -8.130 1.00 15.14 C ATOM 343 CG LEU A 25 18.329 -26.291 -7.542 1.00 73.43 C ATOM 344 CD1 LEU A 25 17.841 -24.868 -7.325 1.00 14.45 C ATOM 345 CD2 LEU A 25 17.373 -27.052 -8.451 1.00 4.52 C ATOM 0 H LEU A 25 21.182 -26.733 -5.724 1.00 22.23 H new ATOM 0 HA LEU A 25 20.316 -28.359 -8.032 1.00 22.22 H new ATOM 0 HB2 LEU A 25 20.207 -25.332 -7.904 1.00 15.14 H new ATOM 0 HB3 LEU A 25 19.661 -26.359 -9.215 1.00 15.14 H new ATOM 0 HG LEU A 25 18.359 -26.794 -6.576 1.00 73.43 H new ATOM 0 HD11 LEU A 25 16.835 -24.888 -6.906 1.00 14.45 H new ATOM 0 HD12 LEU A 25 18.511 -24.355 -6.635 1.00 14.45 H new ATOM 0 HD13 LEU A 25 17.827 -24.339 -8.278 1.00 14.45 H new ATOM 0 HD21 LEU A 25 16.373 -27.042 -8.017 1.00 4.52 H new ATOM 0 HD22 LEU A 25 17.348 -26.577 -9.432 1.00 4.52 H new ATOM 0 HD23 LEU A 25 17.713 -28.082 -8.555 1.00 4.52 H new ATOM 357 N HIS A 26 22.242 -27.226 -9.482 1.00 43.53 N ATOM 358 CA HIS A 26 23.543 -27.012 -10.107 1.00 21.43 C ATOM 359 C HIS A 26 23.783 -25.529 -10.369 1.00 43.31 C ATOM 360 O HIS A 26 22.849 -24.726 -10.360 1.00 64.52 O ATOM 361 CB HIS A 26 23.638 -27.796 -11.416 1.00 43.23 C ATOM 362 CG HIS A 26 23.822 -29.269 -11.221 1.00 34.31 C ATOM 363 ND1 HIS A 26 24.520 -29.807 -10.160 1.00 54.31 N ATOM 364 CD2 HIS A 26 23.391 -30.320 -11.957 1.00 65.44 C ATOM 365 CE1 HIS A 26 24.513 -31.124 -10.253 1.00 75.45 C ATOM 366 NE2 HIS A 26 23.834 -31.462 -11.335 1.00 50.23 N ATOM 0 H HIS A 26 21.486 -27.422 -10.138 1.00 43.53 H new ATOM 0 HA HIS A 26 24.311 -27.370 -9.422 1.00 21.43 H new ATOM 0 HB2 HIS A 26 22.733 -27.625 -11.998 1.00 43.23 H new ATOM 0 HB3 HIS A 26 24.472 -27.409 -12.002 1.00 43.23 H new ATOM 0 HD2 HIS A 26 22.807 -30.270 -12.864 1.00 65.44 H new ATOM 0 HE1 HIS A 26 24.982 -31.809 -9.562 1.00 75.45 H new ATOM 0 HE2 HIS A 26 23.666 -32.415 -11.656 1.00 50.23 H new ATOM 374 N LYS A 27 25.041 -25.170 -10.602 1.00 24.12 N ATOM 375 CA LYS A 27 25.406 -23.783 -10.867 1.00 74.42 C ATOM 376 C LYS A 27 24.739 -23.281 -12.144 1.00 0.42 C ATOM 377 O LYS A 27 24.654 -22.076 -12.378 1.00 40.11 O ATOM 378 CB LYS A 27 26.925 -23.647 -10.985 1.00 63.31 C ATOM 379 CG LYS A 27 27.668 -23.986 -9.704 1.00 75.40 C ATOM 380 CD LYS A 27 27.495 -22.900 -8.655 1.00 70.25 C ATOM 381 CE LYS A 27 27.701 -23.444 -7.250 1.00 63.32 C ATOM 382 NZ LYS A 27 29.074 -23.990 -7.063 1.00 21.41 N ATOM 0 H LYS A 27 25.826 -25.821 -10.613 1.00 24.12 H new ATOM 0 HA LYS A 27 25.058 -23.175 -10.032 1.00 74.42 H new ATOM 0 HB2 LYS A 27 27.279 -24.299 -11.784 1.00 63.31 H new ATOM 0 HB3 LYS A 27 27.168 -22.625 -11.277 1.00 63.31 H new ATOM 0 HG2 LYS A 27 27.303 -24.935 -9.311 1.00 75.40 H new ATOM 0 HG3 LYS A 27 28.728 -24.118 -9.921 1.00 75.40 H new ATOM 0 HD2 LYS A 27 28.206 -22.095 -8.842 1.00 70.25 H new ATOM 0 HD3 LYS A 27 26.497 -22.469 -8.737 1.00 70.25 H new ATOM 0 HE2 LYS A 27 27.523 -22.651 -6.524 1.00 63.32 H new ATOM 0 HE3 LYS A 27 26.969 -24.227 -7.053 1.00 63.32 H new ATOM 0 HZ1 LYS A 27 29.209 -24.258 -6.067 1.00 21.41 H new ATOM 0 HZ2 LYS A 27 29.200 -24.828 -7.667 1.00 21.41 H new ATOM 0 HZ3 LYS A 27 29.774 -23.267 -7.325 1.00 21.41 H new ATOM 396 N GLY A 28 24.266 -24.213 -12.966 1.00 10.51 N ATOM 397 CA GLY A 28 23.612 -23.843 -14.208 1.00 32.54 C ATOM 398 C GLY A 28 22.145 -23.516 -14.015 1.00 14.52 C ATOM 399 O GLY A 28 21.552 -22.792 -14.815 1.00 41.05 O ATOM 0 H GLY A 28 24.324 -25.217 -12.794 1.00 10.51 H new ATOM 0 HA2 GLY A 28 24.120 -22.980 -14.639 1.00 32.54 H new ATOM 0 HA3 GLY A 28 23.708 -24.660 -14.923 1.00 32.54 H new ATOM 403 N VAL A 29 21.555 -24.050 -12.950 1.00 22.20 N ATOM 404 CA VAL A 29 20.148 -23.811 -12.655 1.00 14.15 C ATOM 405 C VAL A 29 19.948 -22.452 -11.993 1.00 42.22 C ATOM 406 O VAL A 29 18.981 -21.746 -12.279 1.00 0.52 O ATOM 407 CB VAL A 29 19.573 -24.906 -11.736 1.00 51.31 C ATOM 408 CG1 VAL A 29 18.119 -24.611 -11.399 1.00 23.03 C ATOM 409 CG2 VAL A 29 19.711 -26.273 -12.387 1.00 71.55 C ATOM 0 H VAL A 29 22.030 -24.651 -12.277 1.00 22.20 H new ATOM 0 HA VAL A 29 19.618 -23.830 -13.607 1.00 14.15 H new ATOM 0 HB VAL A 29 20.142 -24.912 -10.806 1.00 51.31 H new ATOM 0 HG11 VAL A 29 17.730 -25.395 -10.749 1.00 23.03 H new ATOM 0 HG12 VAL A 29 18.051 -23.650 -10.889 1.00 23.03 H new ATOM 0 HG13 VAL A 29 17.533 -24.576 -12.317 1.00 23.03 H new ATOM 0 HG21 VAL A 29 19.300 -27.035 -11.724 1.00 71.55 H new ATOM 0 HG22 VAL A 29 19.168 -26.283 -13.332 1.00 71.55 H new ATOM 0 HG23 VAL A 29 20.764 -26.483 -12.572 1.00 71.55 H new ATOM 419 N LYS A 30 20.870 -22.090 -11.107 1.00 62.23 N ATOM 420 CA LYS A 30 20.798 -20.814 -10.405 1.00 64.41 C ATOM 421 C LYS A 30 20.734 -19.653 -11.392 1.00 34.01 C ATOM 422 O LYS A 30 20.230 -18.577 -11.068 1.00 60.14 O ATOM 423 CB LYS A 30 22.008 -20.647 -9.483 1.00 65.43 C ATOM 424 CG LYS A 30 23.339 -20.670 -10.216 1.00 31.32 C ATOM 425 CD LYS A 30 24.414 -19.924 -9.444 1.00 13.15 C ATOM 426 CE LYS A 30 24.290 -18.419 -9.629 1.00 63.34 C ATOM 427 NZ LYS A 30 25.471 -17.694 -9.084 1.00 62.41 N ATOM 0 H LYS A 30 21.676 -22.663 -10.858 1.00 62.23 H new ATOM 0 HA LYS A 30 19.888 -20.809 -9.805 1.00 64.41 H new ATOM 0 HB2 LYS A 30 21.916 -19.704 -8.944 1.00 65.43 H new ATOM 0 HB3 LYS A 30 21.999 -21.443 -8.738 1.00 65.43 H new ATOM 0 HG2 LYS A 30 23.652 -21.702 -10.372 1.00 31.32 H new ATOM 0 HG3 LYS A 30 23.220 -20.221 -11.202 1.00 31.32 H new ATOM 0 HD2 LYS A 30 24.339 -20.169 -8.385 1.00 13.15 H new ATOM 0 HD3 LYS A 30 25.398 -20.253 -9.778 1.00 13.15 H new ATOM 0 HE2 LYS A 30 24.182 -18.191 -10.689 1.00 63.34 H new ATOM 0 HE3 LYS A 30 23.386 -18.065 -9.133 1.00 63.34 H new ATOM 0 HZ1 LYS A 30 25.348 -16.672 -9.229 1.00 62.41 H new ATOM 0 HZ2 LYS A 30 25.560 -17.891 -8.067 1.00 62.41 H new ATOM 0 HZ3 LYS A 30 26.331 -18.013 -9.575 1.00 62.41 H new ATOM 441 N LYS A 31 21.245 -19.878 -12.597 1.00 50.25 N ATOM 442 CA LYS A 31 21.243 -18.852 -13.633 1.00 41.33 C ATOM 443 C LYS A 31 19.838 -18.297 -13.847 1.00 5.42 C ATOM 444 O LYS A 31 19.670 -17.145 -14.246 1.00 62.20 O ATOM 445 CB LYS A 31 21.782 -19.423 -14.947 1.00 3.22 C ATOM 446 CG LYS A 31 20.739 -20.172 -15.758 1.00 42.51 C ATOM 447 CD LYS A 31 21.359 -20.861 -16.962 1.00 54.12 C ATOM 448 CE LYS A 31 21.872 -19.853 -17.979 1.00 12.32 C ATOM 449 NZ LYS A 31 22.018 -20.455 -19.333 1.00 33.32 N ATOM 0 H LYS A 31 21.666 -20.763 -12.881 1.00 50.25 H new ATOM 0 HA LYS A 31 21.890 -18.039 -13.304 1.00 41.33 H new ATOM 0 HB2 LYS A 31 22.183 -18.608 -15.550 1.00 3.22 H new ATOM 0 HB3 LYS A 31 22.611 -20.095 -14.728 1.00 3.22 H new ATOM 0 HG2 LYS A 31 20.248 -20.913 -15.126 1.00 42.51 H new ATOM 0 HG3 LYS A 31 19.968 -19.477 -16.092 1.00 42.51 H new ATOM 0 HD2 LYS A 31 22.180 -21.499 -16.635 1.00 54.12 H new ATOM 0 HD3 LYS A 31 20.620 -21.509 -17.432 1.00 54.12 H new ATOM 0 HE2 LYS A 31 21.186 -19.007 -18.030 1.00 12.32 H new ATOM 0 HE3 LYS A 31 22.835 -19.463 -17.649 1.00 12.32 H new ATOM 0 HZ1 LYS A 31 22.370 -19.736 -19.997 1.00 33.32 H new ATOM 0 HZ2 LYS A 31 22.692 -21.246 -19.290 1.00 33.32 H new ATOM 0 HZ3 LYS A 31 21.094 -20.805 -19.659 1.00 33.32 H new ATOM 463 N ASN A 32 18.833 -19.123 -13.577 1.00 1.14 N ATOM 464 CA ASN A 32 17.443 -18.714 -13.738 1.00 53.54 C ATOM 465 C ASN A 32 17.054 -17.680 -12.686 1.00 10.12 C ATOM 466 O ASN A 32 16.348 -16.715 -12.980 1.00 41.22 O ATOM 467 CB ASN A 32 16.517 -19.928 -13.643 1.00 23.22 C ATOM 468 CG ASN A 32 15.067 -19.572 -13.907 1.00 60.32 C ATOM 469 OD1 ASN A 32 14.190 -19.846 -13.088 1.00 11.21 O ATOM 470 ND2 ASN A 32 14.809 -18.959 -15.056 1.00 75.14 N ATOM 0 H ASN A 32 18.955 -20.080 -13.246 1.00 1.14 H new ATOM 0 HA ASN A 32 17.336 -18.261 -14.724 1.00 53.54 H new ATOM 0 HB2 ASN A 32 16.839 -20.684 -14.359 1.00 23.22 H new ATOM 0 HB3 ASN A 32 16.604 -20.371 -12.651 1.00 23.22 H new ATOM 0 HD21 ASN A 32 13.852 -18.695 -15.290 1.00 75.14 H new ATOM 0 HD22 ASN A 32 15.568 -18.752 -15.705 1.00 75.14 H new ATOM 477 N ILE A 33 17.520 -17.889 -11.459 1.00 53.21 N ATOM 478 CA ILE A 33 17.222 -16.975 -10.364 1.00 3.45 C ATOM 479 C ILE A 33 17.976 -15.659 -10.525 1.00 63.03 C ATOM 480 O ILE A 33 17.381 -14.583 -10.484 1.00 5.34 O ATOM 481 CB ILE A 33 17.581 -17.594 -9.000 1.00 34.41 C ATOM 482 CG1 ILE A 33 16.677 -18.794 -8.707 1.00 51.21 C ATOM 483 CG2 ILE A 33 17.462 -16.553 -7.897 1.00 72.12 C ATOM 484 CD1 ILE A 33 17.131 -20.071 -9.379 1.00 2.22 C ATOM 0 H ILE A 33 18.105 -18.683 -11.199 1.00 53.21 H new ATOM 0 HA ILE A 33 16.149 -16.784 -10.397 1.00 3.45 H new ATOM 0 HB ILE A 33 18.614 -17.940 -9.035 1.00 34.41 H new ATOM 0 HG12 ILE A 33 16.637 -18.954 -7.630 1.00 51.21 H new ATOM 0 HG13 ILE A 33 15.663 -18.563 -9.032 1.00 51.21 H new ATOM 0 HG21 ILE A 33 17.719 -17.006 -6.940 1.00 72.12 H new ATOM 0 HG22 ILE A 33 18.143 -15.727 -8.102 1.00 72.12 H new ATOM 0 HG23 ILE A 33 16.439 -16.179 -7.858 1.00 72.12 H new ATOM 0 HD11 ILE A 33 16.444 -20.879 -9.127 1.00 2.22 H new ATOM 0 HD12 ILE A 33 17.144 -19.929 -10.460 1.00 2.22 H new ATOM 0 HD13 ILE A 33 18.133 -20.327 -9.035 1.00 2.22 H new ATOM 496 N GLU A 34 19.289 -15.755 -10.712 1.00 1.34 N ATOM 497 CA GLU A 34 20.124 -14.571 -10.881 1.00 22.31 C ATOM 498 C GLU A 34 19.639 -13.727 -12.056 1.00 1.44 C ATOM 499 O GLU A 34 19.756 -12.501 -12.043 1.00 33.14 O ATOM 500 CB GLU A 34 21.584 -14.977 -11.098 1.00 54.52 C ATOM 501 CG GLU A 34 21.865 -15.514 -12.491 1.00 70.32 C ATOM 502 CD GLU A 34 23.265 -16.081 -12.626 1.00 31.22 C ATOM 503 OE1 GLU A 34 24.008 -16.074 -11.622 1.00 74.31 O ATOM 504 OE2 GLU A 34 23.617 -16.532 -13.736 1.00 23.31 O ATOM 0 H GLU A 34 19.797 -16.639 -10.750 1.00 1.34 H new ATOM 0 HA GLU A 34 20.052 -13.973 -9.972 1.00 22.31 H new ATOM 0 HB2 GLU A 34 22.224 -14.114 -10.915 1.00 54.52 H new ATOM 0 HB3 GLU A 34 21.854 -15.736 -10.364 1.00 54.52 H new ATOM 0 HG2 GLU A 34 21.138 -16.290 -12.731 1.00 70.32 H new ATOM 0 HG3 GLU A 34 21.729 -14.714 -13.219 1.00 70.32 H new ATOM 511 N ASP A 35 19.096 -14.391 -13.069 1.00 55.14 N ATOM 512 CA ASP A 35 18.592 -13.702 -14.252 1.00 70.43 C ATOM 513 C ASP A 35 17.262 -13.016 -13.957 1.00 3.35 C ATOM 514 O ASP A 35 17.094 -11.825 -14.223 1.00 14.14 O ATOM 515 CB ASP A 35 18.425 -14.688 -15.410 1.00 32.12 C ATOM 516 CG ASP A 35 18.091 -13.995 -16.716 1.00 62.54 C ATOM 517 OD1 ASP A 35 18.952 -13.251 -17.229 1.00 41.52 O ATOM 518 OD2 ASP A 35 16.969 -14.198 -17.226 1.00 12.31 O ATOM 0 H ASP A 35 18.993 -15.405 -13.096 1.00 55.14 H new ATOM 0 HA ASP A 35 19.318 -12.940 -14.535 1.00 70.43 H new ATOM 0 HB2 ASP A 35 19.344 -15.261 -15.531 1.00 32.12 H new ATOM 0 HB3 ASP A 35 17.635 -15.399 -15.167 1.00 32.12 H new ATOM 523 N LEU A 36 16.321 -13.774 -13.406 1.00 15.20 N ATOM 524 CA LEU A 36 15.004 -13.239 -13.075 1.00 4.23 C ATOM 525 C LEU A 36 15.124 -12.036 -12.144 1.00 71.21 C ATOM 526 O LEU A 36 14.361 -11.075 -12.253 1.00 44.01 O ATOM 527 CB LEU A 36 14.142 -14.320 -12.421 1.00 24.30 C ATOM 528 CG LEU A 36 12.871 -14.712 -13.175 1.00 11.22 C ATOM 529 CD1 LEU A 36 13.200 -15.651 -14.325 1.00 0.30 C ATOM 530 CD2 LEU A 36 11.867 -15.355 -12.229 1.00 61.32 C ATOM 0 H LEU A 36 16.445 -14.761 -13.179 1.00 15.20 H new ATOM 0 HA LEU A 36 14.528 -12.914 -14.000 1.00 4.23 H new ATOM 0 HB2 LEU A 36 14.753 -15.213 -12.290 1.00 24.30 H new ATOM 0 HB3 LEU A 36 13.859 -13.978 -11.425 1.00 24.30 H new ATOM 0 HG LEU A 36 12.423 -13.808 -13.588 1.00 11.22 H new ATOM 0 HD11 LEU A 36 12.283 -15.919 -14.850 1.00 0.30 H new ATOM 0 HD12 LEU A 36 13.882 -15.155 -15.016 1.00 0.30 H new ATOM 0 HD13 LEU A 36 13.671 -16.553 -13.935 1.00 0.30 H new ATOM 0 HD21 LEU A 36 10.968 -15.628 -12.783 1.00 61.32 H new ATOM 0 HD22 LEU A 36 12.306 -16.249 -11.786 1.00 61.32 H new ATOM 0 HD23 LEU A 36 11.607 -14.649 -11.440 1.00 61.32 H new ATOM 542 N LEU A 37 16.086 -12.095 -11.230 1.00 64.24 N ATOM 543 CA LEU A 37 16.308 -11.010 -10.281 1.00 41.34 C ATOM 544 C LEU A 37 16.836 -9.766 -10.990 1.00 34.20 C ATOM 545 O LEU A 37 16.525 -8.639 -10.603 1.00 62.14 O ATOM 546 CB LEU A 37 17.292 -11.448 -9.196 1.00 24.13 C ATOM 547 CG LEU A 37 17.752 -10.358 -8.227 1.00 22.23 C ATOM 548 CD1 LEU A 37 16.555 -9.653 -7.609 1.00 75.30 C ATOM 549 CD2 LEU A 37 18.643 -10.949 -7.143 1.00 51.34 C ATOM 0 H LEU A 37 16.725 -12.883 -11.126 1.00 64.24 H new ATOM 0 HA LEU A 37 15.352 -10.764 -9.818 1.00 41.34 H new ATOM 0 HB2 LEU A 37 16.831 -12.249 -8.618 1.00 24.13 H new ATOM 0 HB3 LEU A 37 18.172 -11.870 -9.681 1.00 24.13 H new ATOM 0 HG LEU A 37 18.332 -9.623 -8.786 1.00 22.23 H new ATOM 0 HD11 LEU A 37 16.902 -8.881 -6.922 1.00 75.30 H new ATOM 0 HD12 LEU A 37 15.956 -9.196 -8.396 1.00 75.30 H new ATOM 0 HD13 LEU A 37 15.948 -10.376 -7.065 1.00 75.30 H new ATOM 0 HD21 LEU A 37 18.961 -10.159 -6.463 1.00 51.34 H new ATOM 0 HD22 LEU A 37 18.088 -11.705 -6.587 1.00 51.34 H new ATOM 0 HD23 LEU A 37 19.519 -11.407 -7.602 1.00 51.34 H new ATOM 561 N LYS A 38 17.633 -9.978 -12.031 1.00 64.50 N ATOM 562 CA LYS A 38 18.202 -8.876 -12.797 1.00 40.12 C ATOM 563 C LYS A 38 17.111 -8.109 -13.538 1.00 45.03 C ATOM 564 O LYS A 38 17.056 -6.881 -13.481 1.00 64.03 O ATOM 565 CB LYS A 38 19.238 -9.401 -13.794 1.00 31.13 C ATOM 566 CG LYS A 38 19.883 -8.311 -14.632 1.00 52.10 C ATOM 567 CD LYS A 38 19.954 -8.704 -16.098 1.00 41.42 C ATOM 568 CE LYS A 38 21.328 -8.419 -16.685 1.00 41.32 C ATOM 569 NZ LYS A 38 22.329 -9.444 -16.278 1.00 13.42 N ATOM 0 H LYS A 38 17.900 -10.904 -12.364 1.00 64.50 H new ATOM 0 HA LYS A 38 18.691 -8.196 -12.099 1.00 40.12 H new ATOM 0 HB2 LYS A 38 20.015 -9.937 -13.249 1.00 31.13 H new ATOM 0 HB3 LYS A 38 18.759 -10.122 -14.457 1.00 31.13 H new ATOM 0 HG2 LYS A 38 19.314 -7.387 -14.529 1.00 52.10 H new ATOM 0 HG3 LYS A 38 20.887 -8.110 -14.259 1.00 52.10 H new ATOM 0 HD2 LYS A 38 19.725 -9.764 -16.203 1.00 41.42 H new ATOM 0 HD3 LYS A 38 19.197 -8.157 -16.660 1.00 41.42 H new ATOM 0 HE2 LYS A 38 21.259 -8.390 -17.772 1.00 41.32 H new ATOM 0 HE3 LYS A 38 21.664 -7.434 -16.361 1.00 41.32 H new ATOM 0 HZ1 LYS A 38 23.252 -9.214 -16.698 1.00 13.42 H new ATOM 0 HZ2 LYS A 38 22.414 -9.454 -15.241 1.00 13.42 H new ATOM 0 HZ3 LYS A 38 22.021 -10.381 -16.610 1.00 13.42 H new ATOM 583 N GLU A 39 16.245 -8.842 -14.231 1.00 45.24 N ATOM 584 CA GLU A 39 15.156 -8.229 -14.983 1.00 3.35 C ATOM 585 C GLU A 39 14.151 -7.569 -14.043 1.00 2.01 C ATOM 586 O GLU A 39 13.542 -6.553 -14.381 1.00 3.12 O ATOM 587 CB GLU A 39 14.451 -9.276 -15.848 1.00 4.44 C ATOM 588 CG GLU A 39 13.990 -10.497 -15.070 1.00 62.04 C ATOM 589 CD GLU A 39 13.191 -11.463 -15.923 1.00 34.24 C ATOM 590 OE1 GLU A 39 13.555 -11.655 -17.102 1.00 3.03 O ATOM 591 OE2 GLU A 39 12.201 -12.027 -15.411 1.00 72.14 O ATOM 0 H GLU A 39 16.276 -9.860 -14.287 1.00 45.24 H new ATOM 0 HA GLU A 39 15.581 -7.462 -15.630 1.00 3.35 H new ATOM 0 HB2 GLU A 39 13.589 -8.816 -16.330 1.00 4.44 H new ATOM 0 HB3 GLU A 39 15.127 -9.595 -16.641 1.00 4.44 H new ATOM 0 HG2 GLU A 39 14.859 -11.012 -14.661 1.00 62.04 H new ATOM 0 HG3 GLU A 39 13.382 -10.176 -14.224 1.00 62.04 H new ATOM 598 N LEU A 40 13.982 -8.154 -12.862 1.00 50.03 N ATOM 599 CA LEU A 40 13.050 -7.624 -11.872 1.00 63.35 C ATOM 600 C LEU A 40 13.616 -6.375 -11.206 1.00 3.41 C ATOM 601 O LEU A 40 12.876 -5.455 -10.855 1.00 63.14 O ATOM 602 CB LEU A 40 12.742 -8.685 -10.815 1.00 31.25 C ATOM 603 CG LEU A 40 11.399 -9.402 -10.955 1.00 32.51 C ATOM 604 CD1 LEU A 40 10.249 -8.421 -10.789 1.00 43.53 C ATOM 605 CD2 LEU A 40 11.309 -10.109 -12.300 1.00 25.03 C ATOM 0 H LEU A 40 14.478 -8.995 -12.567 1.00 50.03 H new ATOM 0 HA LEU A 40 12.127 -7.353 -12.385 1.00 63.35 H new ATOM 0 HB2 LEU A 40 13.535 -9.433 -10.838 1.00 31.25 H new ATOM 0 HB3 LEU A 40 12.778 -8.212 -9.833 1.00 31.25 H new ATOM 0 HG LEU A 40 11.326 -10.152 -10.167 1.00 32.51 H new ATOM 0 HD11 LEU A 40 9.302 -8.950 -10.892 1.00 43.53 H new ATOM 0 HD12 LEU A 40 10.302 -7.961 -9.802 1.00 43.53 H new ATOM 0 HD13 LEU A 40 10.317 -7.647 -11.554 1.00 43.53 H new ATOM 0 HD21 LEU A 40 10.346 -10.614 -12.382 1.00 25.03 H new ATOM 0 HD22 LEU A 40 11.405 -9.378 -13.103 1.00 25.03 H new ATOM 0 HD23 LEU A 40 12.111 -10.842 -12.380 1.00 25.03 H new ATOM 617 N LYS A 41 14.934 -6.346 -11.035 1.00 72.44 N ATOM 618 CA LYS A 41 15.601 -5.209 -10.414 1.00 43.54 C ATOM 619 C LYS A 41 15.299 -3.920 -11.173 1.00 65.22 C ATOM 620 O LYS A 41 15.194 -2.847 -10.579 1.00 12.14 O ATOM 621 CB LYS A 41 17.113 -5.442 -10.366 1.00 31.13 C ATOM 622 CG LYS A 41 17.581 -6.136 -9.098 1.00 14.20 C ATOM 623 CD LYS A 41 18.017 -5.134 -8.043 1.00 4.44 C ATOM 624 CE LYS A 41 19.019 -5.744 -7.075 1.00 23.31 C ATOM 625 NZ LYS A 41 20.359 -5.921 -7.701 1.00 74.34 N ATOM 0 H LYS A 41 15.561 -7.099 -11.319 1.00 72.44 H new ATOM 0 HA LYS A 41 15.222 -5.109 -9.397 1.00 43.54 H new ATOM 0 HB2 LYS A 41 17.408 -6.041 -11.228 1.00 31.13 H new ATOM 0 HB3 LYS A 41 17.623 -4.483 -10.455 1.00 31.13 H new ATOM 0 HG2 LYS A 41 16.776 -6.755 -8.702 1.00 14.20 H new ATOM 0 HG3 LYS A 41 18.410 -6.803 -9.332 1.00 14.20 H new ATOM 0 HD2 LYS A 41 18.461 -4.264 -8.527 1.00 4.44 H new ATOM 0 HD3 LYS A 41 17.145 -4.782 -7.492 1.00 4.44 H new ATOM 0 HE2 LYS A 41 19.110 -5.105 -6.197 1.00 23.31 H new ATOM 0 HE3 LYS A 41 18.649 -6.710 -6.730 1.00 23.31 H new ATOM 0 HZ1 LYS A 41 21.071 -6.077 -6.959 1.00 74.34 H new ATOM 0 HZ2 LYS A 41 20.338 -6.742 -8.339 1.00 74.34 H new ATOM 0 HZ3 LYS A 41 20.605 -5.068 -8.242 1.00 74.34 H new ATOM 639 N THR A 42 15.160 -4.033 -12.491 1.00 21.25 N ATOM 640 CA THR A 42 14.870 -2.878 -13.330 1.00 40.13 C ATOM 641 C THR A 42 13.395 -2.499 -13.254 1.00 24.10 C ATOM 642 O THR A 42 13.051 -1.321 -13.169 1.00 5.44 O ATOM 643 CB THR A 42 15.245 -3.144 -14.801 1.00 14.15 C ATOM 644 OG1 THR A 42 14.605 -4.340 -15.260 1.00 45.02 O ATOM 645 CG2 THR A 42 16.752 -3.275 -14.960 1.00 12.12 C ATOM 0 H THR A 42 15.244 -4.913 -12.999 1.00 21.25 H new ATOM 0 HA THR A 42 15.474 -2.053 -12.952 1.00 40.13 H new ATOM 0 HB THR A 42 14.906 -2.298 -15.399 1.00 14.15 H new ATOM 0 HG1 THR A 42 14.317 -4.873 -14.490 1.00 45.02 H new ATOM 0 HG21 THR A 42 16.993 -3.462 -16.006 1.00 12.12 H new ATOM 0 HG22 THR A 42 17.234 -2.352 -14.637 1.00 12.12 H new ATOM 0 HG23 THR A 42 17.111 -4.104 -14.351 1.00 12.12 H new ATOM 653 N MET A 43 12.528 -3.506 -13.285 1.00 3.34 N ATOM 654 CA MET A 43 11.090 -3.277 -13.217 1.00 14.12 C ATOM 655 C MET A 43 10.707 -2.610 -11.900 1.00 13.15 C ATOM 656 O MET A 43 9.999 -1.604 -11.885 1.00 74.15 O ATOM 657 CB MET A 43 10.334 -4.598 -13.372 1.00 13.13 C ATOM 658 CG MET A 43 10.670 -5.344 -14.652 1.00 64.33 C ATOM 659 SD MET A 43 9.628 -4.851 -16.038 1.00 73.42 S ATOM 660 CE MET A 43 9.172 -6.450 -16.705 1.00 22.33 C ATOM 0 H MET A 43 12.796 -4.487 -13.357 1.00 3.34 H new ATOM 0 HA MET A 43 10.814 -2.611 -14.034 1.00 14.12 H new ATOM 0 HB2 MET A 43 10.559 -5.238 -12.519 1.00 13.13 H new ATOM 0 HB3 MET A 43 9.263 -4.399 -13.348 1.00 13.13 H new ATOM 0 HG2 MET A 43 11.715 -5.167 -14.907 1.00 64.33 H new ATOM 0 HG3 MET A 43 10.560 -6.415 -14.483 1.00 64.33 H new ATOM 0 HE1 MET A 43 9.321 -6.450 -17.785 1.00 22.33 H new ATOM 0 HE2 MET A 43 9.793 -7.223 -16.253 1.00 22.33 H new ATOM 0 HE3 MET A 43 8.124 -6.651 -16.484 1.00 22.33 H new ATOM 670 N ASN A 44 11.180 -3.177 -10.795 1.00 34.34 N ATOM 671 CA ASN A 44 10.886 -2.637 -9.472 1.00 75.41 C ATOM 672 C ASN A 44 11.279 -1.166 -9.385 1.00 64.03 C ATOM 673 O ASN A 44 10.526 -0.341 -8.871 1.00 14.51 O ATOM 674 CB ASN A 44 11.622 -3.438 -8.396 1.00 74.32 C ATOM 675 CG ASN A 44 10.935 -3.361 -7.046 1.00 53.14 C ATOM 676 OD1 ASN A 44 9.796 -3.802 -6.891 1.00 11.13 O ATOM 677 ND2 ASN A 44 11.626 -2.798 -6.062 1.00 41.33 N ATOM 0 H ASN A 44 11.768 -4.010 -10.789 1.00 34.34 H new ATOM 0 HA ASN A 44 9.812 -2.718 -9.305 1.00 75.41 H new ATOM 0 HB2 ASN A 44 11.691 -4.481 -8.707 1.00 74.32 H new ATOM 0 HB3 ASN A 44 12.642 -3.065 -8.303 1.00 74.32 H new ATOM 0 HD21 ASN A 44 11.215 -2.717 -5.132 1.00 41.33 H new ATOM 0 HD22 ASN A 44 12.567 -2.446 -6.236 1.00 41.33 H new ATOM 684 N ALA A 45 12.465 -0.846 -9.893 1.00 3.34 N ATOM 685 CA ALA A 45 12.958 0.526 -9.875 1.00 64.11 C ATOM 686 C ALA A 45 12.183 1.401 -10.854 1.00 71.42 C ATOM 687 O ALA A 45 12.076 2.612 -10.668 1.00 51.42 O ATOM 688 CB ALA A 45 14.445 0.557 -10.200 1.00 34.43 C ATOM 0 H ALA A 45 13.102 -1.518 -10.322 1.00 3.34 H new ATOM 0 HA ALA A 45 12.807 0.927 -8.872 1.00 64.11 H new ATOM 0 HB1 ALA A 45 14.800 1.588 -10.183 1.00 34.43 H new ATOM 0 HB2 ALA A 45 14.992 -0.027 -9.460 1.00 34.43 H new ATOM 0 HB3 ALA A 45 14.610 0.133 -11.190 1.00 34.43 H new ATOM 694 N ALA A 46 11.644 0.778 -11.898 1.00 2.52 N ATOM 695 CA ALA A 46 10.878 1.501 -12.905 1.00 75.44 C ATOM 696 C ALA A 46 9.673 2.198 -12.283 1.00 74.10 C ATOM 697 O ALA A 46 9.436 3.383 -12.523 1.00 32.33 O ATOM 698 CB ALA A 46 10.430 0.552 -14.008 1.00 13.33 C ATOM 0 H ALA A 46 11.724 -0.225 -12.068 1.00 2.52 H new ATOM 0 HA ALA A 46 11.523 2.266 -13.337 1.00 75.44 H new ATOM 0 HB1 ALA A 46 9.859 1.105 -14.754 1.00 13.33 H new ATOM 0 HB2 ALA A 46 11.304 0.104 -14.480 1.00 13.33 H new ATOM 0 HB3 ALA A 46 9.806 -0.233 -13.581 1.00 13.33 H new ATOM 704 N LEU A 47 8.914 1.456 -11.484 1.00 15.41 N ATOM 705 CA LEU A 47 7.732 2.004 -10.827 1.00 75.30 C ATOM 706 C LEU A 47 8.079 3.266 -10.045 1.00 12.24 C ATOM 707 O LEU A 47 7.236 4.144 -9.858 1.00 34.12 O ATOM 708 CB LEU A 47 7.116 0.963 -9.890 1.00 64.53 C ATOM 709 CG LEU A 47 7.770 0.828 -8.514 1.00 53.43 C ATOM 710 CD1 LEU A 47 7.065 1.715 -7.500 1.00 14.31 C ATOM 711 CD2 LEU A 47 7.757 -0.623 -8.057 1.00 15.11 C ATOM 0 H LEU A 47 9.096 0.474 -11.275 1.00 15.41 H new ATOM 0 HA LEU A 47 7.007 2.265 -11.598 1.00 75.30 H new ATOM 0 HB2 LEU A 47 6.064 1.209 -9.747 1.00 64.53 H new ATOM 0 HB3 LEU A 47 7.152 -0.008 -10.384 1.00 64.53 H new ATOM 0 HG LEU A 47 8.807 1.153 -8.592 1.00 53.43 H new ATOM 0 HD11 LEU A 47 7.543 1.606 -6.527 1.00 14.31 H new ATOM 0 HD12 LEU A 47 7.127 2.755 -7.821 1.00 14.31 H new ATOM 0 HD13 LEU A 47 6.018 1.421 -7.425 1.00 14.31 H new ATOM 0 HD21 LEU A 47 8.226 -0.700 -7.076 1.00 15.11 H new ATOM 0 HD22 LEU A 47 6.728 -0.976 -7.995 1.00 15.11 H new ATOM 0 HD23 LEU A 47 8.308 -1.235 -8.772 1.00 15.11 H new ATOM 723 N ILE A 48 9.325 3.351 -9.592 1.00 1.32 N ATOM 724 CA ILE A 48 9.784 4.508 -8.833 1.00 23.11 C ATOM 725 C ILE A 48 9.966 5.722 -9.737 1.00 61.05 C ATOM 726 O ILE A 48 9.476 6.811 -9.440 1.00 14.32 O ATOM 727 CB ILE A 48 11.113 4.216 -8.111 1.00 10.12 C ATOM 728 CG1 ILE A 48 10.967 2.994 -7.202 1.00 30.10 C ATOM 729 CG2 ILE A 48 11.557 5.430 -7.308 1.00 62.22 C ATOM 730 CD1 ILE A 48 12.288 2.448 -6.707 1.00 11.14 C ATOM 0 H ILE A 48 10.035 2.633 -9.737 1.00 1.32 H new ATOM 0 HA ILE A 48 9.016 4.723 -8.090 1.00 23.11 H new ATOM 0 HB ILE A 48 11.876 4.000 -8.859 1.00 10.12 H new ATOM 0 HG12 ILE A 48 10.349 3.261 -6.345 1.00 30.10 H new ATOM 0 HG13 ILE A 48 10.439 2.209 -7.744 1.00 30.10 H new ATOM 0 HG21 ILE A 48 12.497 5.208 -6.803 1.00 62.22 H new ATOM 0 HG22 ILE A 48 11.696 6.278 -7.978 1.00 62.22 H new ATOM 0 HG23 ILE A 48 10.796 5.674 -6.567 1.00 62.22 H new ATOM 0 HD11 ILE A 48 12.108 1.583 -6.069 1.00 11.14 H new ATOM 0 HD12 ILE A 48 12.900 2.150 -7.558 1.00 11.14 H new ATOM 0 HD13 ILE A 48 12.809 3.217 -6.137 1.00 11.14 H new ATOM 742 N LYS A 49 10.673 5.527 -10.845 1.00 64.23 N ATOM 743 CA LYS A 49 10.918 6.604 -11.797 1.00 4.01 C ATOM 744 C LYS A 49 9.627 7.017 -12.495 1.00 51.34 C ATOM 745 O LYS A 49 9.286 8.200 -12.540 1.00 71.45 O ATOM 746 CB LYS A 49 11.956 6.169 -12.835 1.00 15.21 C ATOM 747 CG LYS A 49 13.383 6.199 -12.318 1.00 3.43 C ATOM 748 CD LYS A 49 13.678 5.006 -11.424 1.00 41.31 C ATOM 749 CE LYS A 49 15.158 4.915 -11.087 1.00 64.41 C ATOM 750 NZ LYS A 49 15.905 4.099 -12.084 1.00 72.54 N ATOM 0 H LYS A 49 11.087 4.632 -11.106 1.00 64.23 H new ATOM 0 HA LYS A 49 11.302 7.462 -11.246 1.00 4.01 H new ATOM 0 HB2 LYS A 49 11.721 5.159 -13.170 1.00 15.21 H new ATOM 0 HB3 LYS A 49 11.881 6.819 -13.706 1.00 15.21 H new ATOM 0 HG2 LYS A 49 14.076 6.204 -13.160 1.00 3.43 H new ATOM 0 HG3 LYS A 49 13.550 7.122 -11.762 1.00 3.43 H new ATOM 0 HD2 LYS A 49 13.099 5.087 -10.504 1.00 41.31 H new ATOM 0 HD3 LYS A 49 13.360 4.090 -11.921 1.00 41.31 H new ATOM 0 HE2 LYS A 49 15.583 5.918 -11.046 1.00 64.41 H new ATOM 0 HE3 LYS A 49 15.279 4.477 -10.096 1.00 64.41 H new ATOM 0 HZ1 LYS A 49 16.910 4.061 -11.819 1.00 72.54 H new ATOM 0 HZ2 LYS A 49 15.516 3.135 -12.105 1.00 72.54 H new ATOM 0 HZ3 LYS A 49 15.812 4.530 -13.026 1.00 72.54 H new ATOM 764 N ILE A 50 8.913 6.037 -13.037 1.00 73.51 N ATOM 765 CA ILE A 50 7.658 6.299 -13.731 1.00 12.25 C ATOM 766 C ILE A 50 6.565 6.716 -12.751 1.00 64.34 C ATOM 767 O ILE A 50 5.613 7.400 -13.122 1.00 73.14 O ATOM 768 CB ILE A 50 7.181 5.065 -14.519 1.00 44.02 C ATOM 769 CG1 ILE A 50 6.786 3.941 -13.559 1.00 65.35 C ATOM 770 CG2 ILE A 50 8.268 4.596 -15.475 1.00 72.42 C ATOM 771 CD1 ILE A 50 5.291 3.789 -13.389 1.00 1.20 C ATOM 0 H ILE A 50 9.182 5.054 -13.009 1.00 73.51 H new ATOM 0 HA ILE A 50 7.848 7.114 -14.429 1.00 12.25 H new ATOM 0 HB ILE A 50 6.304 5.342 -15.104 1.00 44.02 H new ATOM 0 HG12 ILE A 50 7.199 3.001 -13.924 1.00 65.35 H new ATOM 0 HG13 ILE A 50 7.237 4.131 -12.585 1.00 65.35 H new ATOM 0 HG21 ILE A 50 7.917 3.723 -16.025 1.00 72.42 H new ATOM 0 HG22 ILE A 50 8.505 5.396 -16.176 1.00 72.42 H new ATOM 0 HG23 ILE A 50 9.162 4.333 -14.909 1.00 72.42 H new ATOM 0 HD11 ILE A 50 5.085 2.974 -12.695 1.00 1.20 H new ATOM 0 HD12 ILE A 50 4.874 4.716 -12.995 1.00 1.20 H new ATOM 0 HD13 ILE A 50 4.836 3.568 -14.354 1.00 1.20 H new ATOM 783 N GLY A 51 6.712 6.299 -11.497 1.00 71.13 N ATOM 784 CA GLY A 51 5.731 6.640 -10.483 1.00 63.41 C ATOM 785 C GLY A 51 5.699 8.125 -10.184 1.00 52.31 C ATOM 786 O GLY A 51 4.745 8.623 -9.587 1.00 50.53 O ATOM 0 H GLY A 51 7.492 5.732 -11.165 1.00 71.13 H new ATOM 0 HA2 GLY A 51 4.744 6.318 -10.814 1.00 63.41 H new ATOM 0 HA3 GLY A 51 5.954 6.093 -9.567 1.00 63.41 H new ATOM 790 N GLU A 52 6.744 8.834 -10.598 1.00 65.14 N ATOM 791 CA GLU A 52 6.832 10.271 -10.368 1.00 52.25 C ATOM 792 C GLU A 52 5.665 11.000 -11.029 1.00 70.21 C ATOM 793 O GLU A 52 5.180 12.010 -10.519 1.00 24.01 O ATOM 794 CB GLU A 52 8.157 10.816 -10.905 1.00 1.32 C ATOM 795 CG GLU A 52 8.499 12.203 -10.386 1.00 64.12 C ATOM 796 CD GLU A 52 9.774 12.755 -10.994 1.00 50.05 C ATOM 797 OE1 GLU A 52 10.868 12.325 -10.574 1.00 31.44 O ATOM 798 OE2 GLU A 52 9.677 13.618 -11.892 1.00 72.01 O ATOM 0 H GLU A 52 7.542 8.437 -11.094 1.00 65.14 H new ATOM 0 HA GLU A 52 6.785 10.444 -9.293 1.00 52.25 H new ATOM 0 HB2 GLU A 52 8.959 10.128 -10.636 1.00 1.32 H new ATOM 0 HB3 GLU A 52 8.114 10.845 -11.994 1.00 1.32 H new ATOM 0 HG2 GLU A 52 7.674 12.882 -10.603 1.00 64.12 H new ATOM 0 HG3 GLU A 52 8.604 12.165 -9.302 1.00 64.12 H new ATOM 805 N VAL A 53 5.219 10.480 -12.168 1.00 71.22 N ATOM 806 CA VAL A 53 4.109 11.079 -12.899 1.00 40.24 C ATOM 807 C VAL A 53 2.769 10.639 -12.322 1.00 33.32 C ATOM 808 O VAL A 53 2.638 9.560 -11.743 1.00 63.23 O ATOM 809 CB VAL A 53 4.157 10.711 -14.394 1.00 65.21 C ATOM 810 CG1 VAL A 53 5.495 11.109 -14.999 1.00 50.03 C ATOM 811 CG2 VAL A 53 3.898 9.224 -14.585 1.00 2.04 C ATOM 0 H VAL A 53 5.610 9.645 -12.605 1.00 71.22 H new ATOM 0 HA VAL A 53 4.209 12.159 -12.795 1.00 40.24 H new ATOM 0 HB VAL A 53 3.372 11.263 -14.912 1.00 65.21 H new ATOM 0 HG11 VAL A 53 5.511 10.841 -16.056 1.00 50.03 H new ATOM 0 HG12 VAL A 53 5.636 12.185 -14.895 1.00 50.03 H new ATOM 0 HG13 VAL A 53 6.299 10.586 -14.480 1.00 50.03 H new ATOM 0 HG21 VAL A 53 3.936 8.982 -15.647 1.00 2.04 H new ATOM 0 HG22 VAL A 53 4.659 8.651 -14.055 1.00 2.04 H new ATOM 0 HG23 VAL A 53 2.914 8.972 -14.190 1.00 2.04 H new ATOM 821 N PRO A 54 1.746 11.492 -12.481 1.00 44.35 N ATOM 822 CA PRO A 54 0.396 11.212 -11.984 1.00 3.44 C ATOM 823 C PRO A 54 -0.288 10.094 -12.762 1.00 31.23 C ATOM 824 O PRO A 54 0.170 9.673 -13.824 1.00 44.31 O ATOM 825 CB PRO A 54 -0.341 12.538 -12.193 1.00 24.33 C ATOM 826 CG PRO A 54 0.390 13.206 -13.306 1.00 2.04 C ATOM 827 CD PRO A 54 1.830 12.796 -13.161 1.00 13.12 C ATOM 0 HA PRO A 54 0.405 10.872 -10.948 1.00 3.44 H new ATOM 0 HB2 PRO A 54 -1.388 12.373 -12.449 1.00 24.33 H new ATOM 0 HB3 PRO A 54 -0.326 13.146 -11.288 1.00 24.33 H new ATOM 0 HG2 PRO A 54 -0.008 12.899 -14.273 1.00 2.04 H new ATOM 0 HG3 PRO A 54 0.285 14.289 -13.247 1.00 2.04 H new ATOM 0 HD2 PRO A 54 2.324 12.713 -14.129 1.00 13.12 H new ATOM 0 HD3 PRO A 54 2.397 13.519 -12.575 1.00 13.12 H new ATOM 835 N PRO A 55 -1.412 9.599 -12.223 1.00 14.12 N ATOM 836 CA PRO A 55 -2.184 8.523 -12.851 1.00 55.01 C ATOM 837 C PRO A 55 -2.881 8.979 -14.129 1.00 10.14 C ATOM 838 O PRO A 55 -3.448 8.168 -14.861 1.00 51.11 O ATOM 839 CB PRO A 55 -3.216 8.155 -11.782 1.00 10.44 C ATOM 840 CG PRO A 55 -3.366 9.389 -10.960 1.00 52.23 C ATOM 841 CD PRO A 55 -2.017 10.053 -10.959 1.00 23.52 C ATOM 0 HA PRO A 55 -1.549 7.690 -13.155 1.00 55.01 H new ATOM 0 HB2 PRO A 55 -4.164 7.861 -12.232 1.00 10.44 H new ATOM 0 HB3 PRO A 55 -2.876 7.315 -11.176 1.00 10.44 H new ATOM 0 HG2 PRO A 55 -4.125 10.048 -11.381 1.00 52.23 H new ATOM 0 HG3 PRO A 55 -3.682 9.146 -9.946 1.00 52.23 H new ATOM 0 HD2 PRO A 55 -2.104 11.139 -10.922 1.00 23.52 H new ATOM 0 HD3 PRO A 55 -1.421 9.751 -10.097 1.00 23.52 H new ATOM 849 N ASP A 56 -2.834 10.281 -14.390 1.00 71.41 N ATOM 850 CA ASP A 56 -3.460 10.844 -15.581 1.00 3.43 C ATOM 851 C ASP A 56 -2.614 10.571 -16.820 1.00 62.33 C ATOM 852 O ASP A 56 -3.104 10.649 -17.947 1.00 4.35 O ATOM 853 CB ASP A 56 -3.665 12.350 -15.410 1.00 41.44 C ATOM 854 CG ASP A 56 -4.496 12.951 -16.527 1.00 41.31 C ATOM 855 OD1 ASP A 56 -3.924 13.254 -17.596 1.00 12.25 O ATOM 856 OD2 ASP A 56 -5.718 13.118 -16.333 1.00 20.02 O ATOM 0 H ASP A 56 -2.369 10.966 -13.794 1.00 71.41 H new ATOM 0 HA ASP A 56 -4.430 10.365 -15.713 1.00 3.43 H new ATOM 0 HB2 ASP A 56 -4.153 12.541 -14.454 1.00 41.44 H new ATOM 0 HB3 ASP A 56 -2.694 12.845 -15.377 1.00 41.44 H new ATOM 861 N GLN A 57 -1.342 10.250 -16.604 1.00 11.42 N ATOM 862 CA GLN A 57 -0.428 9.967 -17.704 1.00 53.11 C ATOM 863 C GLN A 57 -0.516 8.503 -18.121 1.00 70.24 C ATOM 864 O GLN A 57 0.245 8.042 -18.974 1.00 12.52 O ATOM 865 CB GLN A 57 1.008 10.310 -17.304 1.00 14.43 C ATOM 866 CG GLN A 57 1.134 11.636 -16.571 1.00 44.30 C ATOM 867 CD GLN A 57 0.547 12.794 -17.354 1.00 1.12 C ATOM 868 OE1 GLN A 57 0.252 12.669 -18.543 1.00 30.44 O ATOM 869 NE2 GLN A 57 0.374 13.931 -16.689 1.00 71.25 N ATOM 0 H GLN A 57 -0.921 10.180 -15.677 1.00 11.42 H new ATOM 0 HA GLN A 57 -0.718 10.586 -18.553 1.00 53.11 H new ATOM 0 HB2 GLN A 57 1.400 9.515 -16.670 1.00 14.43 H new ATOM 0 HB3 GLN A 57 1.629 10.339 -18.199 1.00 14.43 H new ATOM 0 HG2 GLN A 57 0.631 11.563 -15.607 1.00 44.30 H new ATOM 0 HG3 GLN A 57 2.186 11.836 -16.368 1.00 44.30 H new ATOM 0 HE21 GLN A 57 0.632 13.990 -15.704 1.00 71.25 H new ATOM 0 HE22 GLN A 57 -0.017 14.745 -17.163 1.00 71.25 H new ATOM 878 N LEU A 58 -1.448 7.775 -17.516 1.00 1.23 N ATOM 879 CA LEU A 58 -1.635 6.362 -17.824 1.00 73.31 C ATOM 880 C LEU A 58 -2.890 6.150 -18.666 1.00 24.43 C ATOM 881 O LEU A 58 -3.882 6.861 -18.509 1.00 42.43 O ATOM 882 CB LEU A 58 -1.729 5.546 -16.533 1.00 73.04 C ATOM 883 CG LEU A 58 -3.123 5.426 -15.915 1.00 62.35 C ATOM 884 CD1 LEU A 58 -3.845 4.204 -16.461 1.00 70.41 C ATOM 885 CD2 LEU A 58 -3.029 5.359 -14.398 1.00 73.11 C ATOM 0 H LEU A 58 -2.086 8.140 -16.809 1.00 1.23 H new ATOM 0 HA LEU A 58 -0.773 6.023 -18.398 1.00 73.31 H new ATOM 0 HB2 LEU A 58 -1.354 4.542 -16.733 1.00 73.04 H new ATOM 0 HB3 LEU A 58 -1.063 5.993 -15.795 1.00 73.04 H new ATOM 0 HG LEU A 58 -3.697 6.312 -16.185 1.00 62.35 H new ATOM 0 HD11 LEU A 58 -4.835 4.135 -16.010 1.00 70.41 H new ATOM 0 HD12 LEU A 58 -3.944 4.293 -17.543 1.00 70.41 H new ATOM 0 HD13 LEU A 58 -3.274 3.307 -16.222 1.00 70.41 H new ATOM 0 HD21 LEU A 58 -4.030 5.274 -13.975 1.00 73.11 H new ATOM 0 HD22 LEU A 58 -2.437 4.491 -14.108 1.00 73.11 H new ATOM 0 HD23 LEU A 58 -2.552 6.264 -14.023 1.00 73.11 H new ATOM 897 N ASP A 59 -2.839 5.165 -19.556 1.00 45.34 N ATOM 898 CA ASP A 59 -3.972 4.857 -20.421 1.00 22.23 C ATOM 899 C ASP A 59 -4.495 3.450 -20.150 1.00 21.35 C ATOM 900 O ASP A 59 -3.991 2.748 -19.273 1.00 62.41 O ATOM 901 CB ASP A 59 -3.571 4.991 -21.891 1.00 22.24 C ATOM 902 CG ASP A 59 -2.955 6.341 -22.202 1.00 72.20 C ATOM 903 OD1 ASP A 59 -3.076 7.257 -21.361 1.00 73.34 O ATOM 904 OD2 ASP A 59 -2.352 6.481 -23.286 1.00 5.21 O ATOM 0 H ASP A 59 -2.025 4.566 -19.697 1.00 45.34 H new ATOM 0 HA ASP A 59 -4.768 5.570 -20.204 1.00 22.23 H new ATOM 0 HB2 ASP A 59 -2.861 4.204 -22.144 1.00 22.24 H new ATOM 0 HB3 ASP A 59 -4.449 4.842 -22.519 1.00 22.24 H new ATOM 909 N SER A 60 -5.509 3.045 -20.907 1.00 34.31 N ATOM 910 CA SER A 60 -6.104 1.723 -20.745 1.00 12.20 C ATOM 911 C SER A 60 -5.042 0.633 -20.851 1.00 34.23 C ATOM 912 O SER A 60 -5.114 -0.386 -20.164 1.00 73.13 O ATOM 913 CB SER A 60 -7.190 1.497 -21.798 1.00 54.14 C ATOM 914 OG SER A 60 -7.999 0.382 -21.466 1.00 30.11 O ATOM 0 H SER A 60 -5.936 3.613 -21.639 1.00 34.31 H new ATOM 0 HA SER A 60 -6.554 1.673 -19.753 1.00 12.20 H new ATOM 0 HB2 SER A 60 -7.811 2.389 -21.881 1.00 54.14 H new ATOM 0 HB3 SER A 60 -6.728 1.338 -22.773 1.00 54.14 H new ATOM 0 HG SER A 60 -8.686 0.260 -22.154 1.00 30.11 H new ATOM 920 N GLN A 61 -4.058 0.856 -21.716 1.00 32.03 N ATOM 921 CA GLN A 61 -2.982 -0.108 -21.912 1.00 44.43 C ATOM 922 C GLN A 61 -2.072 -0.164 -20.690 1.00 21.45 C ATOM 923 O GLN A 61 -1.636 -1.239 -20.278 1.00 23.44 O ATOM 924 CB GLN A 61 -2.165 0.255 -23.154 1.00 20.31 C ATOM 925 CG GLN A 61 -2.778 -0.245 -24.452 1.00 41.33 C ATOM 926 CD GLN A 61 -1.940 0.107 -25.666 1.00 74.31 C ATOM 927 OE1 GLN A 61 -0.931 -0.540 -25.946 1.00 44.23 O ATOM 928 NE2 GLN A 61 -2.356 1.136 -26.395 1.00 34.02 N ATOM 0 H GLN A 61 -3.984 1.695 -22.292 1.00 32.03 H new ATOM 0 HA GLN A 61 -3.430 -1.091 -22.054 1.00 44.43 H new ATOM 0 HB2 GLN A 61 -2.059 1.339 -23.205 1.00 20.31 H new ATOM 0 HB3 GLN A 61 -1.162 -0.159 -23.053 1.00 20.31 H new ATOM 0 HG2 GLN A 61 -2.898 -1.327 -24.400 1.00 41.33 H new ATOM 0 HG3 GLN A 61 -3.775 0.181 -24.567 1.00 41.33 H new ATOM 0 HE21 GLN A 61 -3.198 1.644 -26.126 1.00 34.02 H new ATOM 0 HE22 GLN A 61 -1.833 1.418 -27.224 1.00 34.02 H new ATOM 937 N ASP A 62 -1.789 0.999 -20.114 1.00 54.11 N ATOM 938 CA ASP A 62 -0.932 1.082 -18.938 1.00 22.04 C ATOM 939 C ASP A 62 -1.427 0.149 -17.837 1.00 73.11 C ATOM 940 O ASP A 62 -0.641 -0.556 -17.205 1.00 64.40 O ATOM 941 CB ASP A 62 -0.879 2.520 -18.419 1.00 20.22 C ATOM 942 CG ASP A 62 0.235 2.732 -17.412 1.00 74.41 C ATOM 943 OD1 ASP A 62 0.178 2.117 -16.326 1.00 12.30 O ATOM 944 OD2 ASP A 62 1.163 3.511 -17.711 1.00 23.15 O ATOM 0 H ASP A 62 -2.141 1.898 -20.443 1.00 54.11 H new ATOM 0 HA ASP A 62 0.072 0.771 -19.228 1.00 22.04 H new ATOM 0 HB2 ASP A 62 -0.740 3.201 -19.259 1.00 20.22 H new ATOM 0 HB3 ASP A 62 -1.834 2.772 -17.958 1.00 20.22 H new ATOM 949 N LYS A 63 -2.737 0.151 -17.612 1.00 62.32 N ATOM 950 CA LYS A 63 -3.339 -0.695 -16.588 1.00 61.14 C ATOM 951 C LYS A 63 -2.949 -2.156 -16.791 1.00 2.22 C ATOM 952 O LYS A 63 -2.788 -2.905 -15.827 1.00 22.33 O ATOM 953 CB LYS A 63 -4.863 -0.555 -16.613 1.00 44.03 C ATOM 954 CG LYS A 63 -5.349 0.852 -16.312 1.00 10.01 C ATOM 955 CD LYS A 63 -5.133 1.216 -14.853 1.00 4.33 C ATOM 956 CE LYS A 63 -6.201 0.603 -13.961 1.00 22.33 C ATOM 957 NZ LYS A 63 -5.805 -0.746 -13.469 1.00 74.45 N ATOM 0 H LYS A 63 -3.402 0.729 -18.125 1.00 62.32 H new ATOM 0 HA LYS A 63 -2.966 -0.369 -15.617 1.00 61.14 H new ATOM 0 HB2 LYS A 63 -5.231 -0.856 -17.594 1.00 44.03 H new ATOM 0 HB3 LYS A 63 -5.295 -1.243 -15.886 1.00 44.03 H new ATOM 0 HG2 LYS A 63 -4.822 1.564 -16.947 1.00 10.01 H new ATOM 0 HG3 LYS A 63 -6.409 0.932 -16.555 1.00 10.01 H new ATOM 0 HD2 LYS A 63 -4.149 0.872 -14.533 1.00 4.33 H new ATOM 0 HD3 LYS A 63 -5.143 2.300 -14.742 1.00 4.33 H new ATOM 0 HE2 LYS A 63 -6.385 1.260 -13.111 1.00 22.33 H new ATOM 0 HE3 LYS A 63 -7.137 0.528 -14.514 1.00 22.33 H new ATOM 0 HZ1 LYS A 63 -6.462 -1.459 -13.845 1.00 74.45 H new ATOM 0 HZ2 LYS A 63 -4.839 -0.962 -13.788 1.00 74.45 H new ATOM 0 HZ3 LYS A 63 -5.837 -0.760 -12.430 1.00 74.45 H new ATOM 971 N LEU A 64 -2.797 -2.554 -18.049 1.00 41.21 N ATOM 972 CA LEU A 64 -2.424 -3.925 -18.378 1.00 24.20 C ATOM 973 C LEU A 64 -0.936 -4.158 -18.135 1.00 42.32 C ATOM 974 O LEU A 64 -0.509 -5.281 -17.869 1.00 23.13 O ATOM 975 CB LEU A 64 -2.768 -4.233 -19.836 1.00 52.43 C ATOM 976 CG LEU A 64 -4.157 -4.820 -20.088 1.00 72.32 C ATOM 977 CD1 LEU A 64 -4.282 -6.191 -19.441 1.00 14.32 C ATOM 978 CD2 LEU A 64 -5.236 -3.882 -19.567 1.00 41.35 C ATOM 0 H LEU A 64 -2.926 -1.947 -18.858 1.00 41.21 H new ATOM 0 HA LEU A 64 -2.989 -4.594 -17.729 1.00 24.20 H new ATOM 0 HB2 LEU A 64 -2.674 -3.313 -20.413 1.00 52.43 H new ATOM 0 HB3 LEU A 64 -2.025 -4.930 -20.224 1.00 52.43 H new ATOM 0 HG LEU A 64 -4.292 -4.934 -21.164 1.00 72.32 H new ATOM 0 HD11 LEU A 64 -5.277 -6.593 -19.631 1.00 14.32 H new ATOM 0 HD12 LEU A 64 -3.533 -6.862 -19.862 1.00 14.32 H new ATOM 0 HD13 LEU A 64 -4.126 -6.102 -18.366 1.00 14.32 H new ATOM 0 HD21 LEU A 64 -6.218 -4.317 -19.755 1.00 41.35 H new ATOM 0 HD22 LEU A 64 -5.104 -3.735 -18.495 1.00 41.35 H new ATOM 0 HD23 LEU A 64 -5.160 -2.922 -20.077 1.00 41.35 H new ATOM 990 N TRP A 65 -0.153 -3.089 -18.227 1.00 61.01 N ATOM 991 CA TRP A 65 1.288 -3.177 -18.015 1.00 55.41 C ATOM 992 C TRP A 65 1.604 -3.518 -16.563 1.00 63.44 C ATOM 993 O TRP A 65 2.347 -4.459 -16.286 1.00 24.23 O ATOM 994 CB TRP A 65 1.962 -1.859 -18.400 1.00 55.35 C ATOM 995 CG TRP A 65 3.449 -1.877 -18.220 1.00 22.25 C ATOM 996 CD1 TRP A 65 4.342 -2.691 -18.856 1.00 42.03 C ATOM 997 CD2 TRP A 65 4.216 -1.045 -17.342 1.00 61.41 C ATOM 998 NE1 TRP A 65 5.618 -2.415 -18.427 1.00 62.15 N ATOM 999 CE2 TRP A 65 5.568 -1.409 -17.499 1.00 50.03 C ATOM 1000 CE3 TRP A 65 3.893 -0.028 -16.441 1.00 10.32 C ATOM 1001 CZ2 TRP A 65 6.592 -0.791 -16.787 1.00 44.23 C ATOM 1002 CZ3 TRP A 65 4.911 0.585 -15.735 1.00 32.34 C ATOM 1003 CH2 TRP A 65 6.247 0.202 -15.911 1.00 42.45 C ATOM 0 H TRP A 65 -0.491 -2.152 -18.447 1.00 61.01 H new ATOM 0 HA TRP A 65 1.676 -3.974 -18.649 1.00 55.41 H new ATOM 0 HB2 TRP A 65 1.732 -1.632 -19.441 1.00 55.35 H new ATOM 0 HB3 TRP A 65 1.540 -1.054 -17.798 1.00 55.35 H new ATOM 0 HD1 TRP A 65 4.083 -3.441 -19.588 1.00 42.03 H new ATOM 0 HE1 TRP A 65 6.465 -2.884 -18.748 1.00 62.15 H new ATOM 0 HE3 TRP A 65 2.866 0.274 -16.298 1.00 10.32 H new ATOM 0 HZ2 TRP A 65 7.623 -1.085 -16.921 1.00 44.23 H new ATOM 0 HZ3 TRP A 65 4.672 1.373 -15.036 1.00 32.34 H new ATOM 0 HH2 TRP A 65 7.020 0.700 -15.344 1.00 42.45 H new ATOM 1014 N ALA A 66 1.036 -2.749 -15.641 1.00 51.41 N ATOM 1015 CA ALA A 66 1.257 -2.972 -14.218 1.00 34.23 C ATOM 1016 C ALA A 66 0.929 -4.410 -13.831 1.00 22.43 C ATOM 1017 O ALA A 66 1.582 -4.995 -12.966 1.00 44.40 O ATOM 1018 CB ALA A 66 0.424 -2.000 -13.395 1.00 41.34 C ATOM 0 H ALA A 66 0.419 -1.965 -15.854 1.00 51.41 H new ATOM 0 HA ALA A 66 2.312 -2.797 -14.008 1.00 34.23 H new ATOM 0 HB1 ALA A 66 0.599 -2.178 -12.334 1.00 41.34 H new ATOM 0 HB2 ALA A 66 0.708 -0.977 -13.643 1.00 41.34 H new ATOM 0 HB3 ALA A 66 -0.633 -2.147 -13.618 1.00 41.34 H new ATOM 1024 N ASP A 67 -0.086 -4.975 -14.475 1.00 62.14 N ATOM 1025 CA ASP A 67 -0.500 -6.346 -14.199 1.00 3.33 C ATOM 1026 C ASP A 67 0.516 -7.342 -14.750 1.00 13.21 C ATOM 1027 O ASP A 67 0.816 -8.352 -14.114 1.00 42.42 O ATOM 1028 CB ASP A 67 -1.878 -6.617 -14.803 1.00 53.40 C ATOM 1029 CG ASP A 67 -2.345 -8.040 -14.567 1.00 4.34 C ATOM 1030 OD1 ASP A 67 -1.985 -8.615 -13.519 1.00 25.23 O ATOM 1031 OD2 ASP A 67 -3.069 -8.578 -15.430 1.00 30.30 O ATOM 0 H ASP A 67 -0.638 -4.505 -15.192 1.00 62.14 H new ATOM 0 HA ASP A 67 -0.555 -6.472 -13.118 1.00 3.33 H new ATOM 0 HB2 ASP A 67 -2.602 -5.924 -14.374 1.00 53.40 H new ATOM 0 HB3 ASP A 67 -1.846 -6.421 -15.875 1.00 53.40 H new ATOM 1036 N GLU A 68 1.039 -7.050 -15.937 1.00 24.15 N ATOM 1037 CA GLU A 68 2.019 -7.922 -16.573 1.00 45.14 C ATOM 1038 C GLU A 68 3.222 -8.147 -15.661 1.00 33.11 C ATOM 1039 O GLU A 68 3.823 -9.221 -15.661 1.00 72.40 O ATOM 1040 CB GLU A 68 2.480 -7.322 -17.904 1.00 22.24 C ATOM 1041 CG GLU A 68 1.537 -7.609 -19.060 1.00 20.12 C ATOM 1042 CD GLU A 68 1.476 -9.083 -19.411 1.00 13.03 C ATOM 1043 OE1 GLU A 68 2.494 -9.781 -19.220 1.00 10.53 O ATOM 1044 OE2 GLU A 68 0.410 -9.539 -19.876 1.00 45.21 O ATOM 0 H GLU A 68 0.801 -6.218 -16.476 1.00 24.15 H new ATOM 0 HA GLU A 68 1.543 -8.884 -16.761 1.00 45.14 H new ATOM 0 HB2 GLU A 68 2.584 -6.243 -17.790 1.00 22.24 H new ATOM 0 HB3 GLU A 68 3.468 -7.713 -18.146 1.00 22.24 H new ATOM 0 HG2 GLU A 68 0.537 -7.259 -18.804 1.00 20.12 H new ATOM 0 HG3 GLU A 68 1.858 -7.044 -19.935 1.00 20.12 H new ATOM 1051 N VAL A 69 3.567 -7.125 -14.884 1.00 20.31 N ATOM 1052 CA VAL A 69 4.697 -7.211 -13.966 1.00 14.51 C ATOM 1053 C VAL A 69 4.354 -8.066 -12.751 1.00 64.14 C ATOM 1054 O VAL A 69 5.199 -8.801 -12.239 1.00 51.12 O ATOM 1055 CB VAL A 69 5.138 -5.814 -13.489 1.00 24.44 C ATOM 1056 CG1 VAL A 69 6.379 -5.917 -12.614 1.00 13.31 C ATOM 1057 CG2 VAL A 69 5.389 -4.900 -14.678 1.00 13.41 C ATOM 0 H VAL A 69 3.081 -6.228 -14.872 1.00 20.31 H new ATOM 0 HA VAL A 69 5.517 -7.676 -14.514 1.00 14.51 H new ATOM 0 HB VAL A 69 4.335 -5.382 -12.891 1.00 24.44 H new ATOM 0 HG11 VAL A 69 6.677 -4.921 -12.286 1.00 13.31 H new ATOM 0 HG12 VAL A 69 6.160 -6.535 -11.744 1.00 13.31 H new ATOM 0 HG13 VAL A 69 7.190 -6.368 -13.185 1.00 13.31 H new ATOM 0 HG21 VAL A 69 5.700 -3.918 -14.322 1.00 13.41 H new ATOM 0 HG22 VAL A 69 6.174 -5.324 -15.304 1.00 13.41 H new ATOM 0 HG23 VAL A 69 4.473 -4.802 -15.261 1.00 13.41 H new ATOM 1067 N ARG A 70 3.110 -7.966 -12.296 1.00 10.03 N ATOM 1068 CA ARG A 70 2.656 -8.730 -11.140 1.00 73.43 C ATOM 1069 C ARG A 70 2.512 -10.209 -11.489 1.00 52.11 C ATOM 1070 O ARG A 70 3.036 -11.075 -10.790 1.00 4.23 O ATOM 1071 CB ARG A 70 1.320 -8.183 -10.633 1.00 4.12 C ATOM 1072 CG ARG A 70 1.461 -6.942 -9.766 1.00 32.43 C ATOM 1073 CD ARG A 70 1.577 -7.303 -8.293 1.00 13.52 C ATOM 1074 NE ARG A 70 0.324 -7.830 -7.758 1.00 63.22 N ATOM 1075 CZ ARG A 70 -0.719 -7.070 -7.444 1.00 24.13 C ATOM 1076 NH1 ARG A 70 -0.660 -5.756 -7.610 1.00 5.02 N ATOM 1077 NH2 ARG A 70 -1.824 -7.624 -6.962 1.00 60.32 N ATOM 0 H ARG A 70 2.398 -7.364 -12.710 1.00 10.03 H new ATOM 0 HA ARG A 70 3.404 -8.630 -10.353 1.00 73.43 H new ATOM 0 HB2 ARG A 70 0.685 -7.949 -11.487 1.00 4.12 H new ATOM 0 HB3 ARG A 70 0.812 -8.960 -10.061 1.00 4.12 H new ATOM 0 HG2 ARG A 70 2.342 -6.379 -10.074 1.00 32.43 H new ATOM 0 HG3 ARG A 70 0.599 -6.292 -9.916 1.00 32.43 H new ATOM 0 HD2 ARG A 70 2.367 -8.043 -8.162 1.00 13.52 H new ATOM 0 HD3 ARG A 70 1.871 -6.420 -7.725 1.00 13.52 H new ATOM 0 HE ARG A 70 0.246 -8.837 -7.618 1.00 63.22 H new ATOM 0 HH11 ARG A 70 0.188 -5.326 -7.980 1.00 5.02 H new ATOM 0 HH12 ARG A 70 -1.463 -5.175 -7.368 1.00 5.02 H new ATOM 0 HH21 ARG A 70 -1.873 -8.635 -6.832 1.00 60.32 H new ATOM 0 HH22 ARG A 70 -2.624 -7.039 -6.721 1.00 60.32 H new ATOM 1091 N GLU A 71 1.797 -10.489 -12.574 1.00 41.15 N ATOM 1092 CA GLU A 71 1.584 -11.863 -13.014 1.00 54.33 C ATOM 1093 C GLU A 71 2.911 -12.601 -13.157 1.00 5.04 C ATOM 1094 O GLU A 71 2.998 -13.802 -12.897 1.00 42.01 O ATOM 1095 CB GLU A 71 0.830 -11.884 -14.346 1.00 23.10 C ATOM 1096 CG GLU A 71 1.584 -11.214 -15.483 1.00 21.35 C ATOM 1097 CD GLU A 71 0.859 -11.327 -16.810 1.00 24.13 C ATOM 1098 OE1 GLU A 71 -0.127 -10.589 -17.012 1.00 73.21 O ATOM 1099 OE2 GLU A 71 1.280 -12.154 -17.646 1.00 52.21 O ATOM 0 H GLU A 71 1.356 -9.784 -13.164 1.00 41.15 H new ATOM 0 HA GLU A 71 0.986 -12.371 -12.257 1.00 54.33 H new ATOM 0 HB2 GLU A 71 0.621 -12.918 -14.619 1.00 23.10 H new ATOM 0 HB3 GLU A 71 -0.132 -11.388 -14.217 1.00 23.10 H new ATOM 0 HG2 GLU A 71 1.734 -10.161 -15.244 1.00 21.35 H new ATOM 0 HG3 GLU A 71 2.572 -11.664 -15.574 1.00 21.35 H new ATOM 1106 N LEU A 72 3.944 -11.875 -13.571 1.00 53.31 N ATOM 1107 CA LEU A 72 5.268 -12.460 -13.749 1.00 43.50 C ATOM 1108 C LEU A 72 5.774 -13.069 -12.445 1.00 70.25 C ATOM 1109 O LEU A 72 6.563 -14.014 -12.455 1.00 71.15 O ATOM 1110 CB LEU A 72 6.253 -11.399 -14.245 1.00 60.31 C ATOM 1111 CG LEU A 72 7.427 -11.912 -15.080 1.00 4.05 C ATOM 1112 CD1 LEU A 72 6.926 -12.628 -16.324 1.00 14.01 C ATOM 1113 CD2 LEU A 72 8.353 -10.765 -15.459 1.00 21.34 C ATOM 0 H LEU A 72 3.890 -10.880 -13.790 1.00 53.31 H new ATOM 0 HA LEU A 72 5.191 -13.253 -14.493 1.00 43.50 H new ATOM 0 HB2 LEU A 72 5.702 -10.670 -14.839 1.00 60.31 H new ATOM 0 HB3 LEU A 72 6.652 -10.870 -13.380 1.00 60.31 H new ATOM 0 HG LEU A 72 7.991 -12.625 -14.479 1.00 4.05 H new ATOM 0 HD11 LEU A 72 7.776 -12.986 -16.905 1.00 14.01 H new ATOM 0 HD12 LEU A 72 6.305 -13.474 -16.031 1.00 14.01 H new ATOM 0 HD13 LEU A 72 6.338 -11.938 -16.929 1.00 14.01 H new ATOM 0 HD21 LEU A 72 9.183 -11.148 -16.053 1.00 21.34 H new ATOM 0 HD22 LEU A 72 7.800 -10.028 -16.041 1.00 21.34 H new ATOM 0 HD23 LEU A 72 8.740 -10.296 -14.555 1.00 21.34 H new ATOM 1125 N SER A 73 5.313 -12.524 -11.325 1.00 14.52 N ATOM 1126 CA SER A 73 5.719 -13.013 -10.013 1.00 3.44 C ATOM 1127 C SER A 73 5.454 -14.510 -9.885 1.00 3.32 C ATOM 1128 O SER A 73 6.172 -15.221 -9.181 1.00 10.31 O ATOM 1129 CB SER A 73 4.976 -12.256 -8.910 1.00 43.30 C ATOM 1130 OG SER A 73 3.731 -12.868 -8.621 1.00 42.33 O ATOM 0 H SER A 73 4.658 -11.743 -11.299 1.00 14.52 H new ATOM 0 HA SER A 73 6.790 -12.840 -9.904 1.00 3.44 H new ATOM 0 HB2 SER A 73 5.588 -12.227 -8.009 1.00 43.30 H new ATOM 0 HB3 SER A 73 4.814 -11.223 -9.219 1.00 43.30 H new ATOM 0 HG SER A 73 3.043 -12.509 -9.220 1.00 42.33 H new ATOM 1136 N TYR A 74 4.419 -14.981 -10.570 1.00 71.23 N ATOM 1137 CA TYR A 74 4.056 -16.393 -10.533 1.00 3.05 C ATOM 1138 C TYR A 74 5.235 -17.269 -10.944 1.00 63.50 C ATOM 1139 O TYR A 74 5.444 -18.349 -10.391 1.00 23.22 O ATOM 1140 CB TYR A 74 2.863 -16.659 -11.452 1.00 20.43 C ATOM 1141 CG TYR A 74 1.785 -17.506 -10.814 1.00 72.31 C ATOM 1142 CD1 TYR A 74 2.102 -18.686 -10.151 1.00 53.34 C ATOM 1143 CD2 TYR A 74 0.449 -17.128 -10.875 1.00 44.22 C ATOM 1144 CE1 TYR A 74 1.120 -19.463 -9.568 1.00 20.21 C ATOM 1145 CE2 TYR A 74 -0.539 -17.898 -10.293 1.00 64.14 C ATOM 1146 CZ TYR A 74 -0.198 -19.065 -9.641 1.00 55.12 C ATOM 1147 OH TYR A 74 -1.180 -19.836 -9.062 1.00 10.24 O ATOM 0 H TYR A 74 3.816 -14.406 -11.158 1.00 71.23 H new ATOM 0 HA TYR A 74 3.780 -16.644 -9.509 1.00 3.05 H new ATOM 0 HB2 TYR A 74 2.431 -15.706 -11.758 1.00 20.43 H new ATOM 0 HB3 TYR A 74 3.215 -17.155 -12.357 1.00 20.43 H new ATOM 0 HD1 TYR A 74 3.133 -19.001 -10.091 1.00 53.34 H new ATOM 0 HD2 TYR A 74 0.179 -16.216 -11.387 1.00 44.22 H new ATOM 0 HE1 TYR A 74 1.383 -20.378 -9.058 1.00 20.21 H new ATOM 0 HE2 TYR A 74 -1.572 -17.588 -10.348 1.00 64.14 H new ATOM 0 HH TYR A 74 -2.053 -19.414 -9.203 1.00 10.24 H new ATOM 1157 N VAL A 75 6.004 -16.796 -11.920 1.00 1.15 N ATOM 1158 CA VAL A 75 7.164 -17.534 -12.406 1.00 12.05 C ATOM 1159 C VAL A 75 8.269 -17.574 -11.356 1.00 72.50 C ATOM 1160 O VAL A 75 9.011 -18.552 -11.259 1.00 31.30 O ATOM 1161 CB VAL A 75 7.722 -16.913 -13.700 1.00 4.14 C ATOM 1162 CG1 VAL A 75 8.824 -17.787 -14.279 1.00 72.15 C ATOM 1163 CG2 VAL A 75 6.608 -16.703 -14.713 1.00 51.44 C ATOM 0 H VAL A 75 5.844 -15.905 -12.390 1.00 1.15 H new ATOM 0 HA VAL A 75 6.829 -18.550 -12.615 1.00 12.05 H new ATOM 0 HB VAL A 75 8.151 -15.940 -13.461 1.00 4.14 H new ATOM 0 HG11 VAL A 75 9.206 -17.333 -15.193 1.00 72.15 H new ATOM 0 HG12 VAL A 75 9.633 -17.880 -13.554 1.00 72.15 H new ATOM 0 HG13 VAL A 75 8.424 -18.775 -14.505 1.00 72.15 H new ATOM 0 HG21 VAL A 75 7.020 -16.263 -15.621 1.00 51.44 H new ATOM 0 HG22 VAL A 75 6.147 -17.662 -14.951 1.00 51.44 H new ATOM 0 HG23 VAL A 75 5.857 -16.033 -14.294 1.00 51.44 H new ATOM 1173 N ILE A 76 8.372 -16.507 -10.572 1.00 40.41 N ATOM 1174 CA ILE A 76 9.386 -16.421 -9.528 1.00 53.02 C ATOM 1175 C ILE A 76 9.163 -17.483 -8.457 1.00 14.01 C ATOM 1176 O ILE A 76 10.115 -17.995 -7.869 1.00 52.32 O ATOM 1177 CB ILE A 76 9.394 -15.032 -8.864 1.00 13.51 C ATOM 1178 CG1 ILE A 76 9.661 -13.945 -9.907 1.00 52.24 C ATOM 1179 CG2 ILE A 76 10.437 -14.979 -7.758 1.00 20.31 C ATOM 1180 CD1 ILE A 76 9.490 -12.540 -9.374 1.00 1.32 C ATOM 0 H ILE A 76 7.766 -15.690 -10.640 1.00 40.41 H new ATOM 0 HA ILE A 76 10.349 -16.590 -10.009 1.00 53.02 H new ATOM 0 HB ILE A 76 8.414 -14.852 -8.422 1.00 13.51 H new ATOM 0 HG12 ILE A 76 10.676 -14.059 -10.287 1.00 52.24 H new ATOM 0 HG13 ILE A 76 8.986 -14.089 -10.751 1.00 52.24 H new ATOM 0 HG21 ILE A 76 10.430 -13.991 -7.299 1.00 20.31 H new ATOM 0 HG22 ILE A 76 10.206 -15.731 -7.004 1.00 20.31 H new ATOM 0 HG23 ILE A 76 11.423 -15.177 -8.178 1.00 20.31 H new ATOM 0 HD11 ILE A 76 9.695 -11.822 -10.168 1.00 1.32 H new ATOM 0 HD12 ILE A 76 8.468 -12.407 -9.020 1.00 1.32 H new ATOM 0 HD13 ILE A 76 10.184 -12.377 -8.549 1.00 1.32 H new ATOM 1192 N GLU A 77 7.898 -17.810 -8.210 1.00 70.30 N ATOM 1193 CA GLU A 77 7.550 -18.813 -7.210 1.00 4.22 C ATOM 1194 C GLU A 77 8.308 -20.114 -7.458 1.00 33.21 C ATOM 1195 O GLU A 77 8.689 -20.812 -6.518 1.00 11.11 O ATOM 1196 CB GLU A 77 6.043 -19.077 -7.222 1.00 43.41 C ATOM 1197 CG GLU A 77 5.205 -17.830 -6.990 1.00 64.43 C ATOM 1198 CD GLU A 77 4.916 -17.587 -5.522 1.00 10.21 C ATOM 1199 OE1 GLU A 77 5.879 -17.537 -4.728 1.00 62.14 O ATOM 1200 OE2 GLU A 77 3.727 -17.446 -5.166 1.00 64.12 O ATOM 0 H GLU A 77 7.098 -17.395 -8.688 1.00 70.30 H new ATOM 0 HA GLU A 77 7.835 -18.427 -6.231 1.00 4.22 H new ATOM 0 HB2 GLU A 77 5.767 -19.517 -8.180 1.00 43.41 H new ATOM 0 HB3 GLU A 77 5.805 -19.813 -6.454 1.00 43.41 H new ATOM 0 HG2 GLU A 77 5.725 -16.965 -7.402 1.00 64.43 H new ATOM 0 HG3 GLU A 77 4.264 -17.923 -7.531 1.00 64.43 H new ATOM 1207 N ASP A 78 8.521 -20.434 -8.729 1.00 61.34 N ATOM 1208 CA ASP A 78 9.233 -21.651 -9.102 1.00 72.24 C ATOM 1209 C ASP A 78 10.641 -21.658 -8.516 1.00 62.42 C ATOM 1210 O ASP A 78 11.197 -22.717 -8.223 1.00 53.43 O ATOM 1211 CB ASP A 78 9.300 -21.782 -10.625 1.00 1.21 C ATOM 1212 CG ASP A 78 8.015 -22.326 -11.217 1.00 14.34 C ATOM 1213 OD1 ASP A 78 6.972 -22.261 -10.532 1.00 30.41 O ATOM 1214 OD2 ASP A 78 8.051 -22.815 -12.365 1.00 0.12 O ATOM 0 H ASP A 78 8.211 -19.868 -9.519 1.00 61.34 H new ATOM 0 HA ASP A 78 8.686 -22.502 -8.696 1.00 72.24 H new ATOM 0 HB2 ASP A 78 9.513 -20.806 -11.062 1.00 1.21 H new ATOM 0 HB3 ASP A 78 10.127 -22.439 -10.894 1.00 1.21 H new ATOM 1219 N ALA A 79 11.213 -20.470 -8.349 1.00 21.41 N ATOM 1220 CA ALA A 79 12.556 -20.340 -7.797 1.00 52.01 C ATOM 1221 C ALA A 79 12.666 -21.045 -6.449 1.00 43.43 C ATOM 1222 O ALA A 79 13.551 -21.875 -6.242 1.00 71.43 O ATOM 1223 CB ALA A 79 12.929 -18.871 -7.659 1.00 64.53 C ATOM 0 H ALA A 79 10.767 -19.584 -8.588 1.00 21.41 H new ATOM 0 HA ALA A 79 13.253 -20.818 -8.485 1.00 52.01 H new ATOM 0 HB1 ALA A 79 13.934 -18.788 -7.246 1.00 64.53 H new ATOM 0 HB2 ALA A 79 12.899 -18.394 -8.639 1.00 64.53 H new ATOM 0 HB3 ALA A 79 12.221 -18.377 -6.993 1.00 64.53 H new ATOM 1229 N VAL A 80 11.763 -20.707 -5.534 1.00 70.03 N ATOM 1230 CA VAL A 80 11.759 -21.308 -4.206 1.00 11.11 C ATOM 1231 C VAL A 80 10.995 -22.627 -4.202 1.00 15.13 C ATOM 1232 O VAL A 80 11.267 -23.511 -3.389 1.00 75.24 O ATOM 1233 CB VAL A 80 11.134 -20.362 -3.164 1.00 13.42 C ATOM 1234 CG1 VAL A 80 11.888 -19.041 -3.120 1.00 62.54 C ATOM 1235 CG2 VAL A 80 9.661 -20.134 -3.468 1.00 13.52 C ATOM 0 H VAL A 80 11.025 -20.020 -5.688 1.00 70.03 H new ATOM 0 HA VAL A 80 12.799 -21.494 -3.939 1.00 11.11 H new ATOM 0 HB VAL A 80 11.212 -20.830 -2.182 1.00 13.42 H new ATOM 0 HG11 VAL A 80 11.431 -18.386 -2.378 1.00 62.54 H new ATOM 0 HG12 VAL A 80 12.928 -19.225 -2.851 1.00 62.54 H new ATOM 0 HG13 VAL A 80 11.845 -18.565 -4.100 1.00 62.54 H new ATOM 0 HG21 VAL A 80 9.235 -19.463 -2.722 1.00 13.52 H new ATOM 0 HG22 VAL A 80 9.558 -19.688 -4.457 1.00 13.52 H new ATOM 0 HG23 VAL A 80 9.133 -21.087 -3.443 1.00 13.52 H new ATOM 1245 N ASP A 81 10.038 -22.753 -5.114 1.00 54.54 N ATOM 1246 CA ASP A 81 9.234 -23.965 -5.218 1.00 12.03 C ATOM 1247 C ASP A 81 10.080 -25.138 -5.702 1.00 31.31 C ATOM 1248 O ASP A 81 9.792 -26.295 -5.394 1.00 14.13 O ATOM 1249 CB ASP A 81 8.056 -23.742 -6.168 1.00 64.52 C ATOM 1250 CG ASP A 81 6.979 -24.797 -6.012 1.00 34.14 C ATOM 1251 OD1 ASP A 81 6.816 -25.316 -4.888 1.00 21.32 O ATOM 1252 OD2 ASP A 81 6.298 -25.104 -7.013 1.00 41.21 O ATOM 0 H ASP A 81 9.800 -22.030 -5.793 1.00 54.54 H new ATOM 0 HA ASP A 81 8.850 -24.203 -4.226 1.00 12.03 H new ATOM 0 HB2 ASP A 81 7.626 -22.758 -5.984 1.00 64.52 H new ATOM 0 HB3 ASP A 81 8.417 -23.745 -7.197 1.00 64.52 H new ATOM 1257 N LYS A 82 11.125 -24.833 -6.463 1.00 43.21 N ATOM 1258 CA LYS A 82 12.015 -25.861 -6.991 1.00 15.22 C ATOM 1259 C LYS A 82 12.757 -26.570 -5.862 1.00 54.15 C ATOM 1260 O LYS A 82 13.191 -27.712 -6.013 1.00 44.15 O ATOM 1261 CB LYS A 82 13.019 -25.244 -7.967 1.00 14.40 C ATOM 1262 CG LYS A 82 12.531 -25.218 -9.405 1.00 43.34 C ATOM 1263 CD LYS A 82 13.000 -23.967 -10.130 1.00 71.24 C ATOM 1264 CE LYS A 82 14.326 -24.197 -10.838 1.00 64.41 C ATOM 1265 NZ LYS A 82 15.478 -23.712 -10.029 1.00 24.54 N ATOM 0 H LYS A 82 11.377 -23.881 -6.729 1.00 43.21 H new ATOM 0 HA LYS A 82 11.408 -26.595 -7.521 1.00 15.22 H new ATOM 0 HB2 LYS A 82 13.243 -24.226 -7.650 1.00 14.40 H new ATOM 0 HB3 LYS A 82 13.952 -25.805 -7.919 1.00 14.40 H new ATOM 0 HG2 LYS A 82 12.894 -26.102 -9.930 1.00 43.34 H new ATOM 0 HG3 LYS A 82 11.442 -25.263 -9.422 1.00 43.34 H new ATOM 0 HD2 LYS A 82 12.247 -23.662 -10.856 1.00 71.24 H new ATOM 0 HD3 LYS A 82 13.104 -23.149 -9.417 1.00 71.24 H new ATOM 0 HE2 LYS A 82 14.448 -25.260 -11.043 1.00 64.41 H new ATOM 0 HE3 LYS A 82 14.317 -23.686 -11.801 1.00 64.41 H new ATOM 0 HZ1 LYS A 82 16.068 -23.082 -10.609 1.00 24.54 H new ATOM 0 HZ2 LYS A 82 15.126 -23.191 -9.201 1.00 24.54 H new ATOM 0 HZ3 LYS A 82 16.046 -24.524 -9.712 1.00 24.54 H new ATOM 1279 N PHE A 83 12.897 -25.887 -4.731 1.00 53.54 N ATOM 1280 CA PHE A 83 13.586 -26.452 -3.577 1.00 52.31 C ATOM 1281 C PHE A 83 12.975 -27.793 -3.182 1.00 61.12 C ATOM 1282 O PHE A 83 13.669 -28.809 -3.115 1.00 41.43 O ATOM 1283 CB PHE A 83 13.524 -25.483 -2.395 1.00 11.53 C ATOM 1284 CG PHE A 83 14.391 -25.892 -1.238 1.00 52.44 C ATOM 1285 CD1 PHE A 83 15.721 -25.506 -1.182 1.00 75.00 C ATOM 1286 CD2 PHE A 83 13.876 -26.661 -0.208 1.00 21.04 C ATOM 1287 CE1 PHE A 83 16.521 -25.882 -0.120 1.00 15.25 C ATOM 1288 CE2 PHE A 83 14.671 -27.039 0.858 1.00 62.52 C ATOM 1289 CZ PHE A 83 15.995 -26.648 0.902 1.00 30.42 C ATOM 0 H PHE A 83 12.542 -24.941 -4.589 1.00 53.54 H new ATOM 0 HA PHE A 83 14.628 -26.614 -3.851 1.00 52.31 H new ATOM 0 HB2 PHE A 83 13.826 -24.491 -2.732 1.00 11.53 H new ATOM 0 HB3 PHE A 83 12.492 -25.403 -2.055 1.00 11.53 H new ATOM 0 HD1 PHE A 83 16.137 -24.905 -1.977 1.00 75.00 H new ATOM 0 HD2 PHE A 83 12.841 -26.969 -0.238 1.00 21.04 H new ATOM 0 HE1 PHE A 83 17.557 -25.577 -0.089 1.00 15.25 H new ATOM 0 HE2 PHE A 83 14.257 -27.639 1.655 1.00 62.52 H new ATOM 0 HZ PHE A 83 16.618 -26.941 1.734 1.00 30.42 H new ATOM 1299 N LEU A 84 11.673 -27.789 -2.921 1.00 73.30 N ATOM 1300 CA LEU A 84 10.967 -29.005 -2.532 1.00 33.21 C ATOM 1301 C LEU A 84 10.763 -29.924 -3.732 1.00 62.40 C ATOM 1302 O LEU A 84 10.390 -31.088 -3.580 1.00 43.22 O ATOM 1303 CB LEU A 84 9.615 -28.656 -1.908 1.00 13.15 C ATOM 1304 CG LEU A 84 8.679 -27.804 -2.766 1.00 31.20 C ATOM 1305 CD1 LEU A 84 7.897 -28.680 -3.732 1.00 55.25 C ATOM 1306 CD2 LEU A 84 7.733 -27.000 -1.887 1.00 14.05 C ATOM 0 H LEU A 84 11.084 -26.958 -2.972 1.00 73.30 H new ATOM 0 HA LEU A 84 11.576 -29.529 -1.795 1.00 33.21 H new ATOM 0 HB2 LEU A 84 9.102 -29.585 -1.659 1.00 13.15 H new ATOM 0 HB3 LEU A 84 9.795 -28.130 -0.970 1.00 13.15 H new ATOM 0 HG LEU A 84 9.283 -27.107 -3.347 1.00 31.20 H new ATOM 0 HD11 LEU A 84 7.236 -28.057 -4.335 1.00 55.25 H new ATOM 0 HD12 LEU A 84 8.590 -29.211 -4.385 1.00 55.25 H new ATOM 0 HD13 LEU A 84 7.303 -29.401 -3.170 1.00 55.25 H new ATOM 0 HD21 LEU A 84 7.075 -26.400 -2.515 1.00 14.05 H new ATOM 0 HD22 LEU A 84 7.135 -27.679 -1.279 1.00 14.05 H new ATOM 0 HD23 LEU A 84 8.311 -26.344 -1.236 1.00 14.05 H new ATOM 1318 N VAL A 85 11.013 -29.395 -4.926 1.00 14.14 N ATOM 1319 CA VAL A 85 10.860 -30.168 -6.152 1.00 60.40 C ATOM 1320 C VAL A 85 12.042 -31.109 -6.359 1.00 41.55 C ATOM 1321 O VAL A 85 11.916 -32.146 -7.010 1.00 64.10 O ATOM 1322 CB VAL A 85 10.726 -29.250 -7.382 1.00 24.44 C ATOM 1323 CG1 VAL A 85 10.759 -30.067 -8.664 1.00 75.42 C ATOM 1324 CG2 VAL A 85 9.450 -28.428 -7.296 1.00 14.25 C ATOM 0 H VAL A 85 11.322 -28.434 -5.070 1.00 14.14 H new ATOM 0 HA VAL A 85 9.947 -30.754 -6.045 1.00 60.40 H new ATOM 0 HB VAL A 85 11.573 -28.564 -7.396 1.00 24.44 H new ATOM 0 HG11 VAL A 85 10.663 -29.402 -9.522 1.00 75.42 H new ATOM 0 HG12 VAL A 85 11.704 -30.607 -8.727 1.00 75.42 H new ATOM 0 HG13 VAL A 85 9.934 -30.779 -8.663 1.00 75.42 H new ATOM 0 HG21 VAL A 85 9.371 -27.785 -8.173 1.00 14.25 H new ATOM 0 HG22 VAL A 85 8.589 -29.095 -7.257 1.00 14.25 H new ATOM 0 HG23 VAL A 85 9.473 -27.813 -6.396 1.00 14.25 H new ATOM 1334 N ARG A 86 13.190 -30.739 -5.802 1.00 3.53 N ATOM 1335 CA ARG A 86 14.396 -31.549 -5.926 1.00 0.40 C ATOM 1336 C ARG A 86 14.486 -32.567 -4.793 1.00 3.41 C ATOM 1337 O ARG A 86 14.610 -33.768 -5.032 1.00 3.12 O ATOM 1338 CB ARG A 86 15.638 -30.656 -5.924 1.00 43.10 C ATOM 1339 CG ARG A 86 15.836 -29.884 -7.219 1.00 31.34 C ATOM 1340 CD ARG A 86 16.012 -30.821 -8.404 1.00 14.31 C ATOM 1341 NE ARG A 86 16.964 -31.891 -8.119 1.00 75.14 N ATOM 1342 CZ ARG A 86 18.281 -31.744 -8.201 1.00 42.40 C ATOM 1343 NH1 ARG A 86 18.800 -30.576 -8.556 1.00 62.43 N ATOM 1344 NH2 ARG A 86 19.083 -32.765 -7.926 1.00 55.14 N ATOM 0 H ARG A 86 13.311 -29.883 -5.260 1.00 3.53 H new ATOM 0 HA ARG A 86 14.346 -32.088 -6.872 1.00 0.40 H new ATOM 0 HB2 ARG A 86 15.566 -29.949 -5.097 1.00 43.10 H new ATOM 0 HB3 ARG A 86 16.518 -31.272 -5.740 1.00 43.10 H new ATOM 0 HG2 ARG A 86 14.978 -29.234 -7.392 1.00 31.34 H new ATOM 0 HG3 ARG A 86 16.711 -29.240 -7.130 1.00 31.34 H new ATOM 0 HD2 ARG A 86 15.048 -31.255 -8.669 1.00 14.31 H new ATOM 0 HD3 ARG A 86 16.354 -30.252 -9.268 1.00 14.31 H new ATOM 0 HE ARG A 86 16.597 -32.801 -7.842 1.00 75.14 H new ATOM 0 HH11 ARG A 86 18.187 -29.788 -8.767 1.00 62.43 H new ATOM 0 HH12 ARG A 86 19.812 -30.465 -8.618 1.00 62.43 H new ATOM 0 HH21 ARG A 86 18.688 -33.664 -7.651 1.00 55.14 H new ATOM 0 HH22 ARG A 86 20.095 -32.650 -7.989 1.00 55.14 H new ATOM 1358 N VAL A 87 14.424 -32.078 -3.558 1.00 52.54 N ATOM 1359 CA VAL A 87 14.498 -32.944 -2.388 1.00 72.02 C ATOM 1360 C VAL A 87 13.423 -34.024 -2.435 1.00 14.31 C ATOM 1361 O VAL A 87 13.572 -35.091 -1.839 1.00 4.35 O ATOM 1362 CB VAL A 87 14.346 -32.139 -1.084 1.00 34.54 C ATOM 1363 CG1 VAL A 87 15.386 -31.032 -1.014 1.00 65.52 C ATOM 1364 CG2 VAL A 87 12.940 -31.569 -0.971 1.00 50.20 C ATOM 0 H VAL A 87 14.323 -31.086 -3.343 1.00 52.54 H new ATOM 0 HA VAL A 87 15.481 -33.414 -2.403 1.00 72.02 H new ATOM 0 HB VAL A 87 14.510 -32.811 -0.242 1.00 34.54 H new ATOM 0 HG11 VAL A 87 15.262 -30.475 -0.086 1.00 65.52 H new ATOM 0 HG12 VAL A 87 16.384 -31.468 -1.045 1.00 65.52 H new ATOM 0 HG13 VAL A 87 15.258 -30.358 -1.861 1.00 65.52 H new ATOM 0 HG21 VAL A 87 12.850 -31.003 -0.044 1.00 50.20 H new ATOM 0 HG22 VAL A 87 12.745 -30.911 -1.818 1.00 50.20 H new ATOM 0 HG23 VAL A 87 12.216 -32.384 -0.970 1.00 50.20 H new ATOM 1374 N HIS A 88 12.337 -33.740 -3.148 1.00 63.02 N ATOM 1375 CA HIS A 88 11.236 -34.688 -3.274 1.00 51.12 C ATOM 1376 C HIS A 88 11.678 -35.937 -4.031 1.00 30.15 C ATOM 1377 O HIS A 88 10.998 -36.962 -4.007 1.00 61.12 O ATOM 1378 CB HIS A 88 10.053 -34.036 -3.991 1.00 2.42 C ATOM 1379 CG HIS A 88 8.972 -33.573 -3.063 1.00 60.03 C ATOM 1380 ND1 HIS A 88 7.679 -33.331 -3.476 1.00 51.32 N ATOM 1381 CD2 HIS A 88 8.997 -33.310 -1.736 1.00 30.13 C ATOM 1382 CE1 HIS A 88 6.956 -32.937 -2.443 1.00 73.02 C ATOM 1383 NE2 HIS A 88 7.732 -32.917 -1.375 1.00 11.43 N ATOM 0 H HIS A 88 12.196 -32.861 -3.647 1.00 63.02 H new ATOM 0 HA HIS A 88 10.927 -34.982 -2.271 1.00 51.12 H new ATOM 0 HB2 HIS A 88 10.413 -33.185 -4.569 1.00 2.42 H new ATOM 0 HB3 HIS A 88 9.631 -34.748 -4.700 1.00 2.42 H new ATOM 0 HD2 HIS A 88 9.853 -33.394 -1.082 1.00 30.13 H new ATOM 0 HE1 HIS A 88 5.908 -32.676 -2.468 1.00 73.02 H new ATOM 0 HE2 HIS A 88 7.439 -32.653 -0.434 1.00 11.43 H new ATOM 1391 N GLY A 89 12.822 -35.843 -4.702 1.00 21.14 N ATOM 1392 CA GLY A 89 13.334 -36.972 -5.456 1.00 44.01 C ATOM 1393 C GLY A 89 13.292 -36.736 -6.953 1.00 22.12 C ATOM 1394 O GLY A 89 14.098 -37.292 -7.699 1.00 44.42 O ATOM 0 H GLY A 89 13.403 -35.005 -4.737 1.00 21.14 H new ATOM 0 HA2 GLY A 89 14.361 -37.173 -5.152 1.00 44.01 H new ATOM 0 HA3 GLY A 89 12.751 -37.861 -5.215 1.00 44.01 H new ATOM 1398 N VAL A 90 12.348 -35.911 -7.394 1.00 42.30 N ATOM 1399 CA VAL A 90 12.203 -35.603 -8.812 1.00 23.02 C ATOM 1400 C VAL A 90 13.045 -34.393 -9.200 1.00 43.13 C ATOM 1401 O VAL A 90 13.548 -33.672 -8.339 1.00 33.22 O ATOM 1402 CB VAL A 90 10.733 -35.331 -9.180 1.00 14.24 C ATOM 1403 CG1 VAL A 90 9.874 -36.551 -8.885 1.00 33.03 C ATOM 1404 CG2 VAL A 90 10.214 -34.111 -8.433 1.00 43.34 C ATOM 0 H VAL A 90 11.672 -35.444 -6.790 1.00 42.30 H new ATOM 0 HA VAL A 90 12.552 -36.477 -9.363 1.00 23.02 H new ATOM 0 HB VAL A 90 10.676 -35.126 -10.249 1.00 14.24 H new ATOM 0 HG11 VAL A 90 8.838 -36.340 -9.151 1.00 33.03 H new ATOM 0 HG12 VAL A 90 10.233 -37.399 -9.469 1.00 33.03 H new ATOM 0 HG13 VAL A 90 9.934 -36.790 -7.823 1.00 33.03 H new ATOM 0 HG21 VAL A 90 9.174 -33.933 -8.705 1.00 43.34 H new ATOM 0 HG22 VAL A 90 10.284 -34.285 -7.359 1.00 43.34 H new ATOM 0 HG23 VAL A 90 10.812 -33.240 -8.699 1.00 43.34 H new ATOM 1414 N GLU A 91 13.194 -34.176 -10.503 1.00 63.24 N ATOM 1415 CA GLU A 91 13.976 -33.053 -11.006 1.00 3.43 C ATOM 1416 C GLU A 91 13.201 -32.284 -12.072 1.00 0.43 C ATOM 1417 O GLU A 91 12.286 -32.806 -12.708 1.00 35.33 O ATOM 1418 CB GLU A 91 15.306 -33.545 -11.582 1.00 14.32 C ATOM 1419 CG GLU A 91 15.179 -34.817 -12.403 1.00 44.20 C ATOM 1420 CD GLU A 91 16.466 -35.178 -13.120 1.00 73.31 C ATOM 1421 OE1 GLU A 91 17.318 -35.855 -12.507 1.00 55.20 O ATOM 1422 OE2 GLU A 91 16.620 -34.784 -14.295 1.00 71.33 O ATOM 0 H GLU A 91 12.783 -34.763 -11.229 1.00 63.24 H new ATOM 0 HA GLU A 91 14.176 -32.381 -10.171 1.00 3.43 H new ATOM 0 HB2 GLU A 91 15.735 -32.761 -12.206 1.00 14.32 H new ATOM 0 HB3 GLU A 91 16.005 -33.719 -10.764 1.00 14.32 H new ATOM 0 HG2 GLU A 91 14.888 -35.640 -11.750 1.00 44.20 H new ATOM 0 HG3 GLU A 91 14.381 -34.694 -13.135 1.00 44.20 H new ATOM 1429 N PRO A 92 13.575 -31.011 -12.272 1.00 70.10 N ATOM 1430 CA PRO A 92 12.928 -30.142 -13.260 1.00 24.21 C ATOM 1431 C PRO A 92 13.239 -30.562 -14.693 1.00 0.14 C ATOM 1432 O PRO A 92 13.820 -31.622 -14.927 1.00 4.52 O ATOM 1433 CB PRO A 92 13.526 -28.764 -12.965 1.00 73.00 C ATOM 1434 CG PRO A 92 14.842 -29.050 -12.329 1.00 43.02 C ATOM 1435 CD PRO A 92 14.658 -30.323 -11.550 1.00 1.20 C ATOM 0 HA PRO A 92 11.841 -30.176 -13.183 1.00 24.21 H new ATOM 0 HB2 PRO A 92 13.646 -28.181 -13.878 1.00 73.00 H new ATOM 0 HB3 PRO A 92 12.882 -28.187 -12.301 1.00 73.00 H new ATOM 0 HG2 PRO A 92 15.623 -29.162 -13.081 1.00 43.02 H new ATOM 0 HG3 PRO A 92 15.145 -28.233 -11.675 1.00 43.02 H new ATOM 0 HD2 PRO A 92 15.571 -30.919 -11.532 1.00 1.20 H new ATOM 0 HD3 PRO A 92 14.387 -30.124 -10.513 1.00 1.20 H new ATOM 1443 N ASP A 93 12.848 -29.725 -15.647 1.00 45.32 N ATOM 1444 CA ASP A 93 13.087 -30.008 -17.058 1.00 32.54 C ATOM 1445 C ASP A 93 13.766 -28.826 -17.743 1.00 34.44 C ATOM 1446 O ASP A 93 13.901 -27.752 -17.158 1.00 5.34 O ATOM 1447 CB ASP A 93 11.770 -30.336 -17.764 1.00 1.34 C ATOM 1448 CG ASP A 93 11.957 -31.300 -18.919 1.00 14.42 C ATOM 1449 OD1 ASP A 93 11.925 -32.525 -18.680 1.00 2.33 O ATOM 1450 OD2 ASP A 93 12.135 -30.829 -20.062 1.00 13.10 O ATOM 0 H ASP A 93 12.364 -28.845 -15.470 1.00 45.32 H new ATOM 0 HA ASP A 93 13.750 -30.871 -17.123 1.00 32.54 H new ATOM 0 HB2 ASP A 93 11.073 -30.766 -17.045 1.00 1.34 H new ATOM 0 HB3 ASP A 93 11.319 -29.415 -18.133 1.00 1.34 H new ATOM 1455 N ASP A 94 14.191 -29.033 -18.984 1.00 75.11 N ATOM 1456 CA ASP A 94 14.855 -27.985 -19.749 1.00 45.41 C ATOM 1457 C ASP A 94 13.901 -27.365 -20.765 1.00 40.20 C ATOM 1458 O ASP A 94 13.534 -26.196 -20.653 1.00 72.04 O ATOM 1459 CB ASP A 94 16.085 -28.547 -20.463 1.00 45.13 C ATOM 1460 CG ASP A 94 16.974 -27.457 -21.030 1.00 61.45 C ATOM 1461 OD1 ASP A 94 17.416 -26.588 -20.251 1.00 45.34 O ATOM 1462 OD2 ASP A 94 17.227 -27.474 -22.254 1.00 15.23 O ATOM 0 H ASP A 94 14.087 -29.917 -19.482 1.00 75.11 H new ATOM 0 HA ASP A 94 15.171 -27.207 -19.054 1.00 45.41 H new ATOM 0 HB2 ASP A 94 16.661 -29.155 -19.765 1.00 45.13 H new ATOM 0 HB3 ASP A 94 15.764 -29.206 -21.270 1.00 45.13 H new ATOM 1467 N ASN A 95 13.504 -28.156 -21.756 1.00 63.42 N ATOM 1468 CA ASN A 95 12.594 -27.685 -22.793 1.00 52.33 C ATOM 1469 C ASN A 95 11.255 -27.268 -22.193 1.00 14.20 C ATOM 1470 O ASN A 95 10.711 -26.216 -22.530 1.00 14.52 O ATOM 1471 CB ASN A 95 12.377 -28.775 -23.845 1.00 12.32 C ATOM 1472 CG ASN A 95 13.363 -28.676 -24.992 1.00 45.12 C ATOM 1473 OD1 ASN A 95 14.468 -29.216 -24.924 1.00 74.23 O ATOM 1474 ND2 ASN A 95 12.969 -27.983 -26.054 1.00 14.32 N ATOM 0 H ASN A 95 13.798 -29.127 -21.863 1.00 63.42 H new ATOM 0 HA ASN A 95 13.046 -26.815 -23.269 1.00 52.33 H new ATOM 0 HB2 ASN A 95 12.469 -29.754 -23.374 1.00 12.32 H new ATOM 0 HB3 ASN A 95 11.362 -28.703 -24.235 1.00 12.32 H new ATOM 0 HD21 ASN A 95 13.591 -27.882 -26.856 1.00 14.32 H new ATOM 0 HD22 ASN A 95 12.045 -27.552 -26.068 1.00 14.32 H new ATOM 1481 N THR A 96 10.727 -28.100 -21.300 1.00 64.23 N ATOM 1482 CA THR A 96 9.452 -27.819 -20.653 1.00 63.30 C ATOM 1483 C THR A 96 9.479 -26.467 -19.950 1.00 32.01 C ATOM 1484 O THR A 96 8.440 -25.838 -19.754 1.00 73.24 O ATOM 1485 CB THR A 96 9.090 -28.911 -19.628 1.00 52.15 C ATOM 1486 OG1 THR A 96 9.583 -30.180 -20.070 1.00 24.50 O ATOM 1487 CG2 THR A 96 7.584 -28.988 -19.430 1.00 14.22 C ATOM 0 H THR A 96 11.164 -28.975 -21.009 1.00 64.23 H new ATOM 0 HA THR A 96 8.696 -27.802 -21.438 1.00 63.30 H new ATOM 0 HB THR A 96 9.554 -28.653 -18.676 1.00 52.15 H new ATOM 0 HG1 THR A 96 9.350 -30.868 -19.412 1.00 24.50 H new ATOM 0 HG21 THR A 96 7.352 -29.766 -18.702 1.00 14.22 H new ATOM 0 HG22 THR A 96 7.215 -28.029 -19.066 1.00 14.22 H new ATOM 0 HG23 THR A 96 7.104 -29.225 -20.379 1.00 14.22 H new ATOM 1495 N ASN A 97 10.674 -26.025 -19.572 1.00 50.24 N ATOM 1496 CA ASN A 97 10.835 -24.746 -18.891 1.00 3.25 C ATOM 1497 C ASN A 97 10.203 -23.616 -19.697 1.00 41.33 C ATOM 1498 O ASN A 97 9.769 -22.608 -19.140 1.00 22.40 O ATOM 1499 CB ASN A 97 12.319 -24.452 -18.657 1.00 34.54 C ATOM 1500 CG ASN A 97 12.540 -23.428 -17.560 1.00 74.41 C ATOM 1501 OD1 ASN A 97 11.862 -22.402 -17.508 1.00 50.14 O ATOM 1502 ND2 ASN A 97 13.492 -23.704 -16.677 1.00 0.13 N ATOM 0 H ASN A 97 11.545 -26.534 -19.726 1.00 50.24 H new ATOM 0 HA ASN A 97 10.327 -24.810 -17.929 1.00 3.25 H new ATOM 0 HB2 ASN A 97 12.833 -25.377 -18.396 1.00 34.54 H new ATOM 0 HB3 ASN A 97 12.765 -24.090 -19.583 1.00 34.54 H new ATOM 0 HD21 ASN A 97 13.686 -23.053 -15.916 1.00 0.13 H new ATOM 0 HD22 ASN A 97 14.029 -24.567 -16.759 1.00 0.13 H new ATOM 1509 N GLY A 98 10.154 -23.791 -21.014 1.00 61.54 N ATOM 1510 CA GLY A 98 9.573 -22.779 -21.877 1.00 31.33 C ATOM 1511 C GLY A 98 10.228 -21.423 -21.702 1.00 72.43 C ATOM 1512 O GLY A 98 9.544 -20.407 -21.576 1.00 61.30 O ATOM 0 H GLY A 98 10.507 -24.616 -21.499 1.00 61.54 H new ATOM 0 HA2 GLY A 98 9.668 -23.094 -22.916 1.00 31.33 H new ATOM 0 HA3 GLY A 98 8.507 -22.694 -21.666 1.00 31.33 H new ATOM 1516 N PHE A 99 11.557 -21.407 -21.693 1.00 55.44 N ATOM 1517 CA PHE A 99 12.304 -20.165 -21.530 1.00 63.31 C ATOM 1518 C PHE A 99 12.047 -19.218 -22.698 1.00 40.21 C ATOM 1519 O PHE A 99 12.122 -17.998 -22.551 1.00 53.42 O ATOM 1520 CB PHE A 99 13.802 -20.458 -21.417 1.00 32.42 C ATOM 1521 CG PHE A 99 14.653 -19.222 -21.372 1.00 51.30 C ATOM 1522 CD1 PHE A 99 14.465 -18.271 -20.381 1.00 64.24 C ATOM 1523 CD2 PHE A 99 15.641 -19.010 -22.320 1.00 52.21 C ATOM 1524 CE1 PHE A 99 15.247 -17.132 -20.339 1.00 12.05 C ATOM 1525 CE2 PHE A 99 16.426 -17.873 -22.282 1.00 54.40 C ATOM 1526 CZ PHE A 99 16.229 -16.933 -21.289 1.00 71.02 C ATOM 0 H PHE A 99 12.138 -22.239 -21.797 1.00 55.44 H new ATOM 0 HA PHE A 99 11.964 -19.683 -20.613 1.00 63.31 H new ATOM 0 HB2 PHE A 99 13.982 -21.046 -20.517 1.00 32.42 H new ATOM 0 HB3 PHE A 99 14.109 -21.070 -22.265 1.00 32.42 H new ATOM 0 HD1 PHE A 99 13.700 -18.422 -19.634 1.00 64.24 H new ATOM 0 HD2 PHE A 99 15.800 -19.742 -23.098 1.00 52.21 H new ATOM 0 HE1 PHE A 99 15.090 -16.398 -19.563 1.00 12.05 H new ATOM 0 HE2 PHE A 99 17.192 -17.720 -23.027 1.00 54.40 H new ATOM 0 HZ PHE A 99 16.842 -16.044 -21.256 1.00 71.02 H new ATOM 1536 N LYS A 100 11.744 -19.788 -23.859 1.00 61.32 N ATOM 1537 CA LYS A 100 11.475 -18.997 -25.054 1.00 14.12 C ATOM 1538 C LYS A 100 10.409 -17.941 -24.778 1.00 42.20 C ATOM 1539 O LYS A 100 10.566 -16.776 -25.143 1.00 24.42 O ATOM 1540 CB LYS A 100 11.024 -19.904 -26.201 1.00 34.33 C ATOM 1541 CG LYS A 100 9.874 -20.826 -25.831 1.00 25.20 C ATOM 1542 CD LYS A 100 9.643 -21.884 -26.897 1.00 23.22 C ATOM 1543 CE LYS A 100 9.197 -21.263 -28.211 1.00 54.03 C ATOM 1544 NZ LYS A 100 10.355 -20.881 -29.066 1.00 74.53 N ATOM 0 H LYS A 100 11.678 -20.796 -23.998 1.00 61.32 H new ATOM 0 HA LYS A 100 12.397 -18.492 -25.340 1.00 14.12 H new ATOM 0 HB2 LYS A 100 10.725 -19.285 -27.047 1.00 34.33 H new ATOM 0 HB3 LYS A 100 11.870 -20.507 -26.531 1.00 34.33 H new ATOM 0 HG2 LYS A 100 10.086 -21.309 -24.877 1.00 25.20 H new ATOM 0 HG3 LYS A 100 8.965 -20.240 -25.696 1.00 25.20 H new ATOM 0 HD2 LYS A 100 10.561 -22.450 -27.054 1.00 23.22 H new ATOM 0 HD3 LYS A 100 8.888 -22.590 -26.552 1.00 23.22 H new ATOM 0 HE2 LYS A 100 8.565 -21.969 -28.750 1.00 54.03 H new ATOM 0 HE3 LYS A 100 8.589 -20.381 -28.008 1.00 54.03 H new ATOM 0 HZ1 LYS A 100 10.338 -19.855 -29.235 1.00 74.53 H new ATOM 0 HZ2 LYS A 100 11.241 -21.138 -28.586 1.00 74.53 H new ATOM 0 HZ3 LYS A 100 10.296 -21.383 -29.975 1.00 74.53 H new ATOM 1558 N GLY A 101 9.325 -18.356 -24.130 1.00 13.51 N ATOM 1559 CA GLY A 101 8.250 -17.432 -23.815 1.00 62.31 C ATOM 1560 C GLY A 101 8.557 -16.577 -22.602 1.00 45.10 C ATOM 1561 O GLY A 101 8.140 -15.420 -22.527 1.00 23.44 O ATOM 0 H GLY A 101 9.172 -19.315 -23.818 1.00 13.51 H new ATOM 0 HA2 GLY A 101 8.067 -16.786 -24.674 1.00 62.31 H new ATOM 0 HA3 GLY A 101 7.333 -17.994 -23.637 1.00 62.31 H new ATOM 1565 N LEU A 102 9.287 -17.146 -21.649 1.00 5.51 N ATOM 1566 CA LEU A 102 9.649 -16.428 -20.431 1.00 43.25 C ATOM 1567 C LEU A 102 10.503 -15.206 -20.753 1.00 42.43 C ATOM 1568 O LEU A 102 10.240 -14.107 -20.266 1.00 0.32 O ATOM 1569 CB LEU A 102 10.403 -17.353 -19.475 1.00 63.52 C ATOM 1570 CG LEU A 102 10.477 -16.897 -18.018 1.00 33.14 C ATOM 1571 CD1 LEU A 102 11.403 -15.699 -17.879 1.00 62.04 C ATOM 1572 CD2 LEU A 102 9.088 -16.563 -17.493 1.00 31.12 C ATOM 0 H LEU A 102 9.640 -18.102 -21.696 1.00 5.51 H new ATOM 0 HA LEU A 102 8.730 -16.091 -19.951 1.00 43.25 H new ATOM 0 HB2 LEU A 102 9.931 -18.335 -19.504 1.00 63.52 H new ATOM 0 HB3 LEU A 102 11.420 -17.477 -19.848 1.00 63.52 H new ATOM 0 HG LEU A 102 10.883 -17.714 -17.422 1.00 33.14 H new ATOM 0 HD11 LEU A 102 11.443 -15.389 -16.835 1.00 62.04 H new ATOM 0 HD12 LEU A 102 12.404 -15.972 -18.215 1.00 62.04 H new ATOM 0 HD13 LEU A 102 11.028 -14.876 -18.488 1.00 62.04 H new ATOM 0 HD21 LEU A 102 9.160 -16.240 -16.454 1.00 31.12 H new ATOM 0 HD22 LEU A 102 8.655 -15.762 -18.093 1.00 31.12 H new ATOM 0 HD23 LEU A 102 8.453 -17.447 -17.555 1.00 31.12 H new ATOM 1584 N MET A 103 11.525 -15.405 -21.579 1.00 25.12 N ATOM 1585 CA MET A 103 12.416 -14.318 -21.968 1.00 50.05 C ATOM 1586 C MET A 103 11.679 -13.292 -22.823 1.00 43.25 C ATOM 1587 O MET A 103 11.993 -12.102 -22.791 1.00 52.44 O ATOM 1588 CB MET A 103 13.621 -14.867 -22.735 1.00 11.01 C ATOM 1589 CG MET A 103 14.615 -13.796 -23.153 1.00 10.55 C ATOM 1590 SD MET A 103 15.759 -13.356 -21.830 1.00 13.32 S ATOM 1591 CE MET A 103 14.779 -12.167 -20.916 1.00 74.20 C ATOM 0 H MET A 103 11.757 -16.309 -21.992 1.00 25.12 H new ATOM 0 HA MET A 103 12.766 -13.826 -21.061 1.00 50.05 H new ATOM 0 HB2 MET A 103 14.132 -15.603 -22.114 1.00 11.01 H new ATOM 0 HB3 MET A 103 13.268 -15.390 -23.624 1.00 11.01 H new ATOM 0 HG2 MET A 103 15.181 -14.148 -24.016 1.00 10.55 H new ATOM 0 HG3 MET A 103 14.072 -12.906 -23.470 1.00 10.55 H new ATOM 0 HE1 MET A 103 15.415 -11.343 -20.593 1.00 74.20 H new ATOM 0 HE2 MET A 103 13.984 -11.783 -21.555 1.00 74.20 H new ATOM 0 HE3 MET A 103 14.341 -12.651 -20.043 1.00 74.20 H new ATOM 1601 N LYS A 104 10.699 -13.760 -23.588 1.00 54.01 N ATOM 1602 CA LYS A 104 9.916 -12.884 -24.451 1.00 41.45 C ATOM 1603 C LYS A 104 8.878 -12.110 -23.645 1.00 31.54 C ATOM 1604 O LYS A 104 8.473 -11.012 -24.026 1.00 63.25 O ATOM 1605 CB LYS A 104 9.223 -13.698 -25.546 1.00 64.23 C ATOM 1606 CG LYS A 104 9.917 -13.617 -26.895 1.00 75.24 C ATOM 1607 CD LYS A 104 11.115 -14.548 -26.963 1.00 64.21 C ATOM 1608 CE LYS A 104 12.110 -14.100 -28.023 1.00 2.23 C ATOM 1609 NZ LYS A 104 11.601 -14.344 -29.401 1.00 31.25 N ATOM 0 H LYS A 104 10.428 -14.742 -23.628 1.00 54.01 H new ATOM 0 HA LYS A 104 10.597 -12.170 -24.914 1.00 41.45 H new ATOM 0 HB2 LYS A 104 9.173 -14.741 -25.235 1.00 64.23 H new ATOM 0 HB3 LYS A 104 8.196 -13.347 -25.653 1.00 64.23 H new ATOM 0 HG2 LYS A 104 9.211 -13.874 -27.684 1.00 75.24 H new ATOM 0 HG3 LYS A 104 10.241 -12.592 -27.078 1.00 75.24 H new ATOM 0 HD2 LYS A 104 11.607 -14.581 -25.991 1.00 64.21 H new ATOM 0 HD3 LYS A 104 10.778 -15.561 -27.184 1.00 64.21 H new ATOM 0 HE2 LYS A 104 12.321 -13.038 -27.897 1.00 2.23 H new ATOM 0 HE3 LYS A 104 13.052 -14.631 -27.885 1.00 2.23 H new ATOM 0 HZ1 LYS A 104 12.308 -14.025 -30.094 1.00 31.25 H new ATOM 0 HZ2 LYS A 104 11.423 -15.360 -29.530 1.00 31.25 H new ATOM 0 HZ3 LYS A 104 10.716 -13.817 -29.542 1.00 31.25 H new ATOM 1623 N ARG A 105 8.452 -12.690 -22.527 1.00 71.22 N ATOM 1624 CA ARG A 105 7.461 -12.055 -21.667 1.00 21.04 C ATOM 1625 C ARG A 105 8.077 -10.891 -20.896 1.00 52.43 C ATOM 1626 O ARG A 105 7.430 -9.866 -20.675 1.00 34.53 O ATOM 1627 CB ARG A 105 6.875 -13.075 -20.688 1.00 43.23 C ATOM 1628 CG ARG A 105 5.367 -13.230 -20.800 1.00 44.51 C ATOM 1629 CD ARG A 105 4.937 -14.670 -20.570 1.00 14.43 C ATOM 1630 NE ARG A 105 5.065 -15.479 -21.778 1.00 74.33 N ATOM 1631 CZ ARG A 105 4.185 -15.458 -22.774 1.00 5.41 C ATOM 1632 NH1 ARG A 105 3.120 -14.671 -22.705 1.00 64.12 N ATOM 1633 NH2 ARG A 105 4.371 -16.224 -23.841 1.00 42.54 N ATOM 0 H ARG A 105 8.778 -13.598 -22.196 1.00 71.22 H new ATOM 0 HA ARG A 105 6.662 -11.668 -22.300 1.00 21.04 H new ATOM 0 HB2 ARG A 105 7.345 -14.043 -20.861 1.00 43.23 H new ATOM 0 HB3 ARG A 105 7.126 -12.775 -19.671 1.00 43.23 H new ATOM 0 HG2 ARG A 105 4.878 -12.582 -20.072 1.00 44.51 H new ATOM 0 HG3 ARG A 105 5.039 -12.904 -21.787 1.00 44.51 H new ATOM 0 HD2 ARG A 105 5.542 -15.107 -19.776 1.00 14.43 H new ATOM 0 HD3 ARG A 105 3.902 -14.689 -20.229 1.00 14.43 H new ATOM 0 HE ARG A 105 5.874 -16.094 -21.863 1.00 74.33 H new ATOM 0 HH11 ARG A 105 2.975 -14.080 -21.886 1.00 64.12 H new ATOM 0 HH12 ARG A 105 2.446 -14.657 -23.471 1.00 64.12 H new ATOM 0 HH21 ARG A 105 5.190 -16.830 -23.898 1.00 42.54 H new ATOM 0 HH22 ARG A 105 3.695 -16.207 -24.605 1.00 42.54 H new ATOM 1647 N THR A 106 9.332 -11.054 -20.489 1.00 72.43 N ATOM 1648 CA THR A 106 10.035 -10.019 -19.743 1.00 15.25 C ATOM 1649 C THR A 106 10.537 -8.918 -20.669 1.00 42.23 C ATOM 1650 O THR A 106 10.283 -7.735 -20.441 1.00 11.31 O ATOM 1651 CB THR A 106 11.228 -10.601 -18.961 1.00 74.13 C ATOM 1652 OG1 THR A 106 12.160 -11.201 -19.867 1.00 44.11 O ATOM 1653 CG2 THR A 106 10.759 -11.636 -17.949 1.00 52.44 C ATOM 0 H THR A 106 9.883 -11.895 -20.664 1.00 72.43 H new ATOM 0 HA THR A 106 9.319 -9.598 -19.037 1.00 15.25 H new ATOM 0 HB THR A 106 11.715 -9.787 -18.425 1.00 74.13 H new ATOM 0 HG1 THR A 106 11.842 -12.093 -20.120 1.00 44.11 H new ATOM 0 HG21 THR A 106 11.619 -12.033 -17.409 1.00 52.44 H new ATOM 0 HG22 THR A 106 10.071 -11.170 -17.244 1.00 52.44 H new ATOM 0 HG23 THR A 106 10.250 -12.448 -18.468 1.00 52.44 H new ATOM 1661 N THR A 107 11.252 -9.314 -21.718 1.00 3.22 N ATOM 1662 CA THR A 107 11.791 -8.360 -22.679 1.00 62.44 C ATOM 1663 C THR A 107 10.698 -7.445 -23.219 1.00 34.55 C ATOM 1664 O THR A 107 10.886 -6.234 -23.330 1.00 11.13 O ATOM 1665 CB THR A 107 12.473 -9.078 -23.860 1.00 11.41 C ATOM 1666 OG1 THR A 107 13.527 -9.920 -23.379 1.00 54.40 O ATOM 1667 CG2 THR A 107 13.034 -8.071 -24.853 1.00 63.42 C ATOM 0 H THR A 107 11.471 -10.289 -21.923 1.00 3.22 H new ATOM 0 HA THR A 107 12.532 -7.762 -22.149 1.00 62.44 H new ATOM 0 HB THR A 107 11.725 -9.688 -24.367 1.00 11.41 H new ATOM 0 HG1 THR A 107 13.188 -10.832 -23.258 1.00 54.40 H new ATOM 0 HG21 THR A 107 13.511 -8.600 -25.678 1.00 63.42 H new ATOM 0 HG22 THR A 107 12.225 -7.451 -25.239 1.00 63.42 H new ATOM 0 HG23 THR A 107 13.769 -7.439 -24.354 1.00 63.42 H new ATOM 1675 N LYS A 108 9.553 -8.032 -23.552 1.00 30.20 N ATOM 1676 CA LYS A 108 8.427 -7.270 -24.078 1.00 52.00 C ATOM 1677 C LYS A 108 8.095 -6.091 -23.168 1.00 61.43 C ATOM 1678 O LYS A 108 7.818 -4.988 -23.641 1.00 31.13 O ATOM 1679 CB LYS A 108 7.200 -8.172 -24.229 1.00 70.23 C ATOM 1680 CG LYS A 108 6.008 -7.477 -24.864 1.00 42.21 C ATOM 1681 CD LYS A 108 5.135 -8.456 -25.632 1.00 4.52 C ATOM 1682 CE LYS A 108 4.069 -7.734 -26.442 1.00 20.40 C ATOM 1683 NZ LYS A 108 3.151 -8.688 -27.124 1.00 64.35 N ATOM 0 H LYS A 108 9.381 -9.034 -23.467 1.00 30.20 H new ATOM 0 HA LYS A 108 8.709 -6.883 -25.057 1.00 52.00 H new ATOM 0 HB2 LYS A 108 7.469 -9.039 -24.833 1.00 70.23 H new ATOM 0 HB3 LYS A 108 6.911 -8.546 -23.247 1.00 70.23 H new ATOM 0 HG2 LYS A 108 5.415 -6.989 -24.090 1.00 42.21 H new ATOM 0 HG3 LYS A 108 6.358 -6.695 -25.537 1.00 42.21 H new ATOM 0 HD2 LYS A 108 5.757 -9.055 -26.298 1.00 4.52 H new ATOM 0 HD3 LYS A 108 4.659 -9.145 -24.935 1.00 4.52 H new ATOM 0 HE2 LYS A 108 3.493 -7.082 -25.785 1.00 20.40 H new ATOM 0 HE3 LYS A 108 4.547 -7.096 -27.185 1.00 20.40 H new ATOM 0 HZ1 LYS A 108 2.439 -8.158 -27.666 1.00 64.35 H new ATOM 0 HZ2 LYS A 108 3.697 -9.293 -27.770 1.00 64.35 H new ATOM 0 HZ3 LYS A 108 2.675 -9.280 -26.414 1.00 64.35 H new ATOM 1697 N LEU A 109 8.126 -6.331 -21.862 1.00 65.11 N ATOM 1698 CA LEU A 109 7.831 -5.289 -20.885 1.00 54.45 C ATOM 1699 C LEU A 109 9.014 -4.339 -20.728 1.00 15.41 C ATOM 1700 O LEU A 109 8.837 -3.129 -20.580 1.00 55.42 O ATOM 1701 CB LEU A 109 7.480 -5.913 -19.534 1.00 32.11 C ATOM 1702 CG LEU A 109 6.309 -6.897 -19.533 1.00 24.22 C ATOM 1703 CD1 LEU A 109 6.326 -7.745 -18.270 1.00 51.32 C ATOM 1704 CD2 LEU A 109 4.988 -6.154 -19.661 1.00 73.13 C ATOM 0 H LEU A 109 8.353 -7.238 -21.455 1.00 65.11 H new ATOM 0 HA LEU A 109 6.976 -4.718 -21.247 1.00 54.45 H new ATOM 0 HB2 LEU A 109 8.362 -6.429 -19.154 1.00 32.11 H new ATOM 0 HB3 LEU A 109 7.254 -5.110 -18.833 1.00 32.11 H new ATOM 0 HG LEU A 109 6.415 -7.559 -20.392 1.00 24.22 H new ATOM 0 HD11 LEU A 109 5.486 -8.439 -18.287 1.00 51.32 H new ATOM 0 HD12 LEU A 109 7.259 -8.306 -18.221 1.00 51.32 H new ATOM 0 HD13 LEU A 109 6.245 -7.098 -17.396 1.00 51.32 H new ATOM 0 HD21 LEU A 109 4.166 -6.870 -19.659 1.00 73.13 H new ATOM 0 HD22 LEU A 109 4.874 -5.468 -18.822 1.00 73.13 H new ATOM 0 HD23 LEU A 109 4.976 -5.591 -20.594 1.00 73.13 H new ATOM 1716 N LEU A 110 10.220 -4.894 -20.762 1.00 51.32 N ATOM 1717 CA LEU A 110 11.433 -4.096 -20.626 1.00 5.35 C ATOM 1718 C LEU A 110 11.561 -3.098 -21.772 1.00 62.03 C ATOM 1719 O LEU A 110 12.234 -2.075 -21.647 1.00 43.35 O ATOM 1720 CB LEU A 110 12.663 -5.004 -20.586 1.00 23.53 C ATOM 1721 CG LEU A 110 13.170 -5.388 -19.195 1.00 0.52 C ATOM 1722 CD1 LEU A 110 12.274 -6.448 -18.574 1.00 2.14 C ATOM 1723 CD2 LEU A 110 14.609 -5.878 -19.268 1.00 34.13 C ATOM 0 H LEU A 110 10.384 -5.893 -20.883 1.00 51.32 H new ATOM 0 HA LEU A 110 11.369 -3.540 -19.691 1.00 5.35 H new ATOM 0 HB2 LEU A 110 12.432 -5.919 -21.132 1.00 23.53 H new ATOM 0 HB3 LEU A 110 13.473 -4.509 -21.122 1.00 23.53 H new ATOM 0 HG LEU A 110 13.141 -4.502 -18.561 1.00 0.52 H new ATOM 0 HD11 LEU A 110 12.650 -6.709 -17.585 1.00 2.14 H new ATOM 0 HD12 LEU A 110 11.259 -6.060 -18.486 1.00 2.14 H new ATOM 0 HD13 LEU A 110 12.269 -7.336 -19.206 1.00 2.14 H new ATOM 0 HD21 LEU A 110 14.953 -6.147 -18.269 1.00 34.13 H new ATOM 0 HD22 LEU A 110 14.663 -6.751 -19.918 1.00 34.13 H new ATOM 0 HD23 LEU A 110 15.243 -5.087 -19.669 1.00 34.13 H new ATOM 1735 N LYS A 111 10.909 -3.402 -22.889 1.00 51.22 N ATOM 1736 CA LYS A 111 10.946 -2.531 -24.058 1.00 74.02 C ATOM 1737 C LYS A 111 9.973 -1.367 -23.900 1.00 52.12 C ATOM 1738 O LYS A 111 10.121 -0.328 -24.545 1.00 31.41 O ATOM 1739 CB LYS A 111 10.607 -3.325 -25.322 1.00 13.11 C ATOM 1740 CG LYS A 111 11.755 -4.180 -25.829 1.00 73.31 C ATOM 1741 CD LYS A 111 11.268 -5.259 -26.782 1.00 32.01 C ATOM 1742 CE LYS A 111 11.075 -4.714 -28.189 1.00 65.50 C ATOM 1743 NZ LYS A 111 10.845 -5.803 -29.178 1.00 72.24 N ATOM 0 H LYS A 111 10.348 -4.245 -23.010 1.00 51.22 H new ATOM 0 HA LYS A 111 11.955 -2.129 -24.149 1.00 74.02 H new ATOM 0 HB2 LYS A 111 9.749 -3.966 -25.119 1.00 13.11 H new ATOM 0 HB3 LYS A 111 10.307 -2.631 -26.107 1.00 13.11 H new ATOM 0 HG2 LYS A 111 12.484 -3.548 -26.336 1.00 73.31 H new ATOM 0 HG3 LYS A 111 12.266 -4.643 -24.985 1.00 73.31 H new ATOM 0 HD2 LYS A 111 11.987 -6.078 -26.803 1.00 32.01 H new ATOM 0 HD3 LYS A 111 10.327 -5.670 -26.418 1.00 32.01 H new ATOM 0 HE2 LYS A 111 10.228 -4.028 -28.200 1.00 65.50 H new ATOM 0 HE3 LYS A 111 11.954 -4.139 -28.480 1.00 65.50 H new ATOM 0 HZ1 LYS A 111 10.718 -5.391 -30.125 1.00 72.24 H new ATOM 0 HZ2 LYS A 111 11.664 -6.443 -29.186 1.00 72.24 H new ATOM 0 HZ3 LYS A 111 9.992 -6.336 -28.915 1.00 72.24 H new ATOM 1757 N LYS A 112 8.978 -1.546 -23.038 1.00 0.13 N ATOM 1758 CA LYS A 112 7.982 -0.510 -22.792 1.00 52.11 C ATOM 1759 C LYS A 112 8.594 0.665 -22.037 1.00 11.33 C ATOM 1760 O LYS A 112 8.441 1.820 -22.435 1.00 55.01 O ATOM 1761 CB LYS A 112 6.805 -1.083 -21.999 1.00 2.23 C ATOM 1762 CG LYS A 112 6.294 -2.407 -22.540 1.00 0.24 C ATOM 1763 CD LYS A 112 5.836 -2.280 -23.983 1.00 15.03 C ATOM 1764 CE LYS A 112 4.622 -1.371 -24.104 1.00 42.22 C ATOM 1765 NZ LYS A 112 3.973 -1.488 -25.439 1.00 74.20 N ATOM 0 H LYS A 112 8.840 -2.400 -22.497 1.00 0.13 H new ATOM 0 HA LYS A 112 7.622 -0.151 -23.756 1.00 52.11 H new ATOM 0 HB2 LYS A 112 7.108 -1.217 -20.961 1.00 2.23 H new ATOM 0 HB3 LYS A 112 5.989 -0.360 -22.002 1.00 2.23 H new ATOM 0 HG2 LYS A 112 7.082 -3.157 -22.472 1.00 0.24 H new ATOM 0 HG3 LYS A 112 5.466 -2.758 -21.924 1.00 0.24 H new ATOM 0 HD2 LYS A 112 6.650 -1.885 -24.591 1.00 15.03 H new ATOM 0 HD3 LYS A 112 5.594 -3.267 -24.377 1.00 15.03 H new ATOM 0 HE2 LYS A 112 3.901 -1.623 -23.326 1.00 42.22 H new ATOM 0 HE3 LYS A 112 4.924 -0.337 -23.936 1.00 42.22 H new ATOM 0 HZ1 LYS A 112 3.150 -0.853 -25.482 1.00 74.20 H new ATOM 0 HZ2 LYS A 112 4.653 -1.224 -26.180 1.00 74.20 H new ATOM 0 HZ3 LYS A 112 3.662 -2.469 -25.589 1.00 74.20 H new ATOM 1779 N VAL A 113 9.289 0.364 -20.945 1.00 24.43 N ATOM 1780 CA VAL A 113 9.927 1.395 -20.135 1.00 60.11 C ATOM 1781 C VAL A 113 10.895 2.227 -20.968 1.00 43.12 C ATOM 1782 O VAL A 113 11.166 3.386 -20.652 1.00 23.42 O ATOM 1783 CB VAL A 113 10.687 0.783 -18.943 1.00 62.15 C ATOM 1784 CG1 VAL A 113 9.714 0.312 -17.874 1.00 34.11 C ATOM 1785 CG2 VAL A 113 11.575 -0.361 -19.409 1.00 72.33 C ATOM 0 H VAL A 113 9.425 -0.586 -20.600 1.00 24.43 H new ATOM 0 HA VAL A 113 9.132 2.038 -19.757 1.00 60.11 H new ATOM 0 HB VAL A 113 11.324 1.553 -18.506 1.00 62.15 H new ATOM 0 HG11 VAL A 113 10.269 -0.117 -17.040 1.00 34.11 H new ATOM 0 HG12 VAL A 113 9.125 1.158 -17.520 1.00 34.11 H new ATOM 0 HG13 VAL A 113 9.049 -0.443 -18.294 1.00 34.11 H new ATOM 0 HG21 VAL A 113 12.105 -0.782 -18.554 1.00 72.33 H new ATOM 0 HG22 VAL A 113 10.961 -1.133 -19.871 1.00 72.33 H new ATOM 0 HG23 VAL A 113 12.297 0.012 -20.136 1.00 72.33 H new ATOM 1795 N VAL A 114 11.414 1.629 -22.036 1.00 23.23 N ATOM 1796 CA VAL A 114 12.352 2.315 -22.917 1.00 12.15 C ATOM 1797 C VAL A 114 11.760 3.618 -23.441 1.00 53.31 C ATOM 1798 O VAL A 114 12.423 4.656 -23.446 1.00 73.31 O ATOM 1799 CB VAL A 114 12.752 1.428 -24.111 1.00 12.43 C ATOM 1800 CG1 VAL A 114 13.683 2.183 -25.048 1.00 31.53 C ATOM 1801 CG2 VAL A 114 13.400 0.141 -23.624 1.00 73.23 C ATOM 0 H VAL A 114 11.201 0.671 -22.312 1.00 23.23 H new ATOM 0 HA VAL A 114 13.240 2.535 -22.325 1.00 12.15 H new ATOM 0 HB VAL A 114 11.851 1.166 -24.666 1.00 12.43 H new ATOM 0 HG11 VAL A 114 13.955 1.541 -25.886 1.00 31.53 H new ATOM 0 HG12 VAL A 114 13.178 3.074 -25.422 1.00 31.53 H new ATOM 0 HG13 VAL A 114 14.583 2.476 -24.508 1.00 31.53 H new ATOM 0 HG21 VAL A 114 13.676 -0.474 -24.480 1.00 73.23 H new ATOM 0 HG22 VAL A 114 14.292 0.379 -23.045 1.00 73.23 H new ATOM 0 HG23 VAL A 114 12.696 -0.406 -22.997 1.00 73.23 H new ATOM 1811 N ASP A 115 10.508 3.558 -23.881 1.00 71.35 N ATOM 1812 CA ASP A 115 9.825 4.734 -24.407 1.00 75.12 C ATOM 1813 C ASP A 115 9.504 5.721 -23.289 1.00 52.02 C ATOM 1814 O ASP A 115 9.098 6.855 -23.545 1.00 30.02 O ATOM 1815 CB ASP A 115 8.539 4.324 -25.127 1.00 33.12 C ATOM 1816 CG ASP A 115 7.788 5.513 -25.693 1.00 33.01 C ATOM 1817 OD1 ASP A 115 8.294 6.132 -26.652 1.00 1.35 O ATOM 1818 OD2 ASP A 115 6.694 5.825 -25.177 1.00 31.23 O ATOM 0 H ASP A 115 9.945 2.707 -23.884 1.00 71.35 H new ATOM 0 HA ASP A 115 10.491 5.222 -25.119 1.00 75.12 H new ATOM 0 HB2 ASP A 115 8.783 3.634 -25.935 1.00 33.12 H new ATOM 0 HB3 ASP A 115 7.893 3.787 -24.433 1.00 33.12 H new ATOM 1823 N LYS A 116 9.688 5.282 -22.049 1.00 14.13 N ATOM 1824 CA LYS A 116 9.419 6.126 -20.890 1.00 75.13 C ATOM 1825 C LYS A 116 10.688 6.830 -20.424 1.00 4.35 C ATOM 1826 O LYS A 116 10.735 8.058 -20.341 1.00 52.25 O ATOM 1827 CB LYS A 116 8.837 5.289 -19.748 1.00 45.32 C ATOM 1828 CG LYS A 116 7.344 5.484 -19.551 1.00 21.34 C ATOM 1829 CD LYS A 116 6.543 4.402 -20.255 1.00 71.22 C ATOM 1830 CE LYS A 116 6.190 3.264 -19.309 1.00 64.04 C ATOM 1831 NZ LYS A 116 5.986 1.981 -20.037 1.00 60.11 N ATOM 0 H LYS A 116 10.023 4.346 -21.820 1.00 14.13 H new ATOM 0 HA LYS A 116 8.692 6.883 -21.184 1.00 75.13 H new ATOM 0 HB2 LYS A 116 9.035 4.235 -19.944 1.00 45.32 H new ATOM 0 HB3 LYS A 116 9.353 5.543 -18.822 1.00 45.32 H new ATOM 0 HG2 LYS A 116 7.112 5.475 -18.486 1.00 21.34 H new ATOM 0 HG3 LYS A 116 7.050 6.462 -19.933 1.00 21.34 H new ATOM 0 HD2 LYS A 116 5.629 4.833 -20.664 1.00 71.22 H new ATOM 0 HD3 LYS A 116 7.117 4.013 -21.096 1.00 71.22 H new ATOM 0 HE2 LYS A 116 6.986 3.142 -18.574 1.00 64.04 H new ATOM 0 HE3 LYS A 116 5.284 3.517 -18.758 1.00 64.04 H new ATOM 0 HZ1 LYS A 116 5.297 1.396 -19.523 1.00 60.11 H new ATOM 0 HZ2 LYS A 116 5.628 2.178 -20.993 1.00 60.11 H new ATOM 0 HZ3 LYS A 116 6.891 1.472 -20.104 1.00 60.11 H new ATOM 1845 N HIS A 117 11.718 6.046 -20.120 1.00 74.30 N ATOM 1846 CA HIS A 117 12.989 6.595 -19.663 1.00 43.15 C ATOM 1847 C HIS A 117 14.136 6.124 -20.553 1.00 75.23 C ATOM 1848 O HIS A 117 15.168 6.785 -20.654 1.00 63.42 O ATOM 1849 CB HIS A 117 13.253 6.189 -18.213 1.00 65.54 C ATOM 1850 CG HIS A 117 12.168 6.602 -17.268 1.00 40.41 C ATOM 1851 ND1 HIS A 117 11.998 7.902 -16.839 1.00 65.13 N ATOM 1852 CD2 HIS A 117 11.192 5.880 -16.670 1.00 23.04 C ATOM 1853 CE1 HIS A 117 10.967 7.961 -16.017 1.00 35.33 C ATOM 1854 NE2 HIS A 117 10.459 6.747 -15.897 1.00 43.02 N ATOM 0 H HIS A 117 11.697 5.028 -20.182 1.00 74.30 H new ATOM 0 HA HIS A 117 12.929 7.682 -19.722 1.00 43.15 H new ATOM 0 HB2 HIS A 117 13.374 5.107 -18.164 1.00 65.54 H new ATOM 0 HB3 HIS A 117 14.195 6.630 -17.887 1.00 65.54 H new ATOM 0 HD1 HIS A 117 12.579 8.694 -17.114 1.00 65.13 H new ATOM 0 HD2 HIS A 117 11.021 4.819 -16.780 1.00 23.04 H new ATOM 0 HE1 HIS A 117 10.601 8.850 -15.526 1.00 35.33 H new ATOM 1862 N GLY A 118 13.946 4.976 -21.197 1.00 33.34 N ATOM 1863 CA GLY A 118 14.972 4.435 -22.069 1.00 2.35 C ATOM 1864 C GLY A 118 15.782 3.341 -21.402 1.00 32.20 C ATOM 1865 O GLY A 118 16.991 3.237 -21.614 1.00 15.55 O ATOM 0 H GLY A 118 13.099 4.411 -21.130 1.00 33.34 H new ATOM 0 HA2 GLY A 118 14.506 4.039 -22.971 1.00 2.35 H new ATOM 0 HA3 GLY A 118 15.640 5.238 -22.381 1.00 2.35 H new ATOM 1869 N ILE A 119 15.116 2.523 -20.594 1.00 12.12 N ATOM 1870 CA ILE A 119 15.782 1.432 -19.894 1.00 31.21 C ATOM 1871 C ILE A 119 16.583 0.567 -20.861 1.00 21.42 C ATOM 1872 O ILE A 119 16.016 -0.136 -21.697 1.00 21.01 O ATOM 1873 CB ILE A 119 14.771 0.543 -19.145 1.00 2.53 C ATOM 1874 CG1 ILE A 119 13.983 1.374 -18.130 1.00 2.22 C ATOM 1875 CG2 ILE A 119 15.488 -0.607 -18.453 1.00 54.05 C ATOM 1876 CD1 ILE A 119 14.858 2.077 -17.115 1.00 34.52 C ATOM 0 H ILE A 119 14.116 2.595 -20.408 1.00 12.12 H new ATOM 0 HA ILE A 119 16.459 1.887 -19.171 1.00 31.21 H new ATOM 0 HB ILE A 119 14.070 0.126 -19.868 1.00 2.53 H new ATOM 0 HG12 ILE A 119 13.390 2.117 -18.663 1.00 2.22 H new ATOM 0 HG13 ILE A 119 13.283 0.724 -17.606 1.00 2.22 H new ATOM 0 HG21 ILE A 119 14.761 -1.226 -17.928 1.00 54.05 H new ATOM 0 HG22 ILE A 119 16.009 -1.211 -19.196 1.00 54.05 H new ATOM 0 HG23 ILE A 119 16.209 -0.209 -17.738 1.00 54.05 H new ATOM 0 HD11 ILE A 119 14.232 2.647 -16.428 1.00 34.52 H new ATOM 0 HD12 ILE A 119 15.432 1.338 -16.556 1.00 34.52 H new ATOM 0 HD13 ILE A 119 15.541 2.753 -17.629 1.00 34.52 H new ATOM 1888 N ALA A 120 17.905 0.622 -20.739 1.00 64.20 N ATOM 1889 CA ALA A 120 18.785 -0.160 -21.599 1.00 41.44 C ATOM 1890 C ALA A 120 18.872 -1.606 -21.126 1.00 25.51 C ATOM 1891 O ALA A 120 18.319 -1.964 -20.085 1.00 51.42 O ATOM 1892 CB ALA A 120 20.171 0.467 -21.646 1.00 13.20 C ATOM 0 H ALA A 120 18.390 1.200 -20.053 1.00 64.20 H new ATOM 0 HA ALA A 120 18.364 -0.159 -22.604 1.00 41.44 H new ATOM 0 HB1 ALA A 120 20.817 -0.127 -22.292 1.00 13.20 H new ATOM 0 HB2 ALA A 120 20.098 1.481 -22.039 1.00 13.20 H new ATOM 0 HB3 ALA A 120 20.591 0.497 -20.641 1.00 13.20 H new TER 1898 ALA A 120