USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 808 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 27 CYS SG : rot -169:sc= -5.56! USER MOD Set 1.2: A 62 TYR OH : rot -39:sc= -0.304 USER MOD Set 2.1: A 24 LYS NZ :NH3+ -123:sc= 1 (180deg=-0.0894) USER MOD Set 2.2: A 36 SER OG : rot 180:sc= -0.739 USER MOD Single : A 4 TYR OH : rot 87:sc= -3.39! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 91:sc= 0.383 USER MOD Single : A 13 ASN : amide:sc= -0.322 K(o=-0.32,f=-1.2) USER MOD Single : A 14 ASN : amide:sc= -0.388 X(o=-0.39,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 22 GLN : amide:sc= -0.0308 X(o=-0.031,f=0) USER MOD Single : A 25 SER OG : rot 59:sc= 1.07 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 21:sc= 0.669! USER MOD Single : A 41 THR OG1 : rot 160:sc= 0.468 USER MOD Single : A 43 SER OG : rot 180:sc= -0.966 USER MOD Single : A 47 SER OG : rot 100:sc= 1.14 USER MOD Single : A 51 SER OG : rot 99:sc= 1.1 USER MOD Single : A 52 HIS : no HD1:sc= -2.82 K(o=-2.8,f=-3.5!) USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.942 K(o=-0.94,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= -2.36 X(o=-2.4,f=-2.8!) USER MOD Single : A 70 SER OG : rot -17:sc= -1.65 USER MOD Single : A 77 THR OG1 : rot 60:sc= 1.16 USER MOD Single : A 78 MET CE :methyl 162:sc= -1.53 (180deg=-2.02) USER MOD Single : A 82 TYR OH : rot 130:sc= -1.31 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.343 USER MOD Single : A 104 SER OG : rot 180:sc= -0.169 USER MOD Single : A 106 LYS NZ :NH3+ -146:sc= 0.287 (180deg=-0.0433) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -4.144 15.160 8.593 1.00 35.11 N ATOM 21 CA ALA A 2 -5.418 14.504 8.871 1.00 35.11 C ATOM 22 C ALA A 2 -5.668 13.375 7.894 1.00 35.11 C ATOM 23 O ALA A 2 -6.171 12.316 8.271 1.00 35.11 O ATOM 24 CB ALA A 2 -6.559 15.509 8.826 1.00 35.11 C ATOM 0 HA ALA A 2 -5.369 14.082 9.875 1.00 35.11 H new ATOM 0 HB1 ALA A 2 -7.500 15.001 9.036 1.00 35.11 H new ATOM 0 HB2 ALA A 2 -6.391 16.284 9.574 1.00 35.11 H new ATOM 0 HB3 ALA A 2 -6.605 15.963 7.836 1.00 35.11 H new ATOM 30 N GLU A 3 -5.285 13.586 6.643 1.00 71.76 N ATOM 31 CA GLU A 3 -5.440 12.560 5.625 1.00 71.76 C ATOM 32 C GLU A 3 -4.618 11.354 6.026 1.00 71.76 C ATOM 33 O GLU A 3 -5.047 10.211 5.883 1.00 71.76 O ATOM 34 CB GLU A 3 -4.971 13.095 4.279 1.00 71.76 C ATOM 35 CG GLU A 3 -5.735 14.314 3.834 1.00 71.76 C ATOM 36 CD GLU A 3 -7.128 13.988 3.328 1.00 71.76 C ATOM 37 OE1 GLU A 3 -7.393 12.801 3.040 1.00 71.76 O ATOM 38 OE2 GLU A 3 -7.951 14.919 3.217 1.00 71.76 O ATOM 0 H GLU A 3 -4.867 14.455 6.311 1.00 71.76 H new ATOM 0 HA GLU A 3 -6.488 12.275 5.536 1.00 71.76 H new ATOM 0 HB2 GLU A 3 -3.911 13.340 4.341 1.00 71.76 H new ATOM 0 HB3 GLU A 3 -5.075 12.313 3.527 1.00 71.76 H new ATOM 0 HG2 GLU A 3 -5.811 15.013 4.667 1.00 71.76 H new ATOM 0 HG3 GLU A 3 -5.177 14.818 3.045 1.00 71.76 H new ATOM 45 N TYR A 4 -3.428 11.631 6.547 1.00112.05 N ATOM 46 CA TYR A 4 -2.536 10.582 6.989 1.00112.05 C ATOM 47 C TYR A 4 -3.166 9.786 8.127 1.00112.05 C ATOM 48 O TYR A 4 -3.102 8.556 8.139 1.00112.05 O ATOM 49 CB TYR A 4 -1.187 11.152 7.426 1.00112.05 C ATOM 50 CG TYR A 4 -0.176 10.084 7.717 1.00112.05 C ATOM 51 CD1 TYR A 4 0.204 9.176 6.737 1.00112.05 C ATOM 52 CD2 TYR A 4 0.384 9.969 8.975 1.00112.05 C ATOM 53 CE1 TYR A 4 1.123 8.182 7.005 1.00112.05 C ATOM 54 CE2 TYR A 4 1.298 8.979 9.252 1.00112.05 C ATOM 55 CZ TYR A 4 1.668 8.087 8.264 1.00112.05 C ATOM 56 OH TYR A 4 2.581 7.096 8.538 1.00112.05 O ATOM 0 H TYR A 4 -3.064 12.576 6.671 1.00112.05 H new ATOM 0 HA TYR A 4 -2.365 9.913 6.146 1.00112.05 H new ATOM 0 HB2 TYR A 4 -0.803 11.807 6.644 1.00112.05 H new ATOM 0 HB3 TYR A 4 -1.327 11.766 8.316 1.00112.05 H new ATOM 0 HD1 TYR A 4 -0.227 9.249 5.749 1.00112.05 H new ATOM 0 HD2 TYR A 4 0.101 10.665 9.751 1.00112.05 H new ATOM 0 HE1 TYR A 4 1.412 7.485 6.233 1.00112.05 H new ATOM 0 HE2 TYR A 4 1.726 8.899 10.240 1.00112.05 H new ATOM 0 HH TYR A 4 3.480 7.403 8.296 1.00112.05 H new ATOM 66 N GLY A 5 -3.791 10.485 9.083 1.00 23.54 N ATOM 67 CA GLY A 5 -4.431 9.793 10.192 1.00 23.54 C ATOM 68 C GLY A 5 -5.507 8.848 9.700 1.00 23.54 C ATOM 69 O GLY A 5 -5.577 7.692 10.116 1.00 23.54 O ATOM 0 H GLY A 5 -3.863 11.502 9.107 1.00 23.54 H new ATOM 0 HA2 GLY A 5 -3.683 9.235 10.756 1.00 23.54 H new ATOM 0 HA3 GLY A 5 -4.868 10.521 10.875 1.00 23.54 H new ATOM 73 N THR A 6 -6.323 9.350 8.783 1.00 90.84 N ATOM 74 CA THR A 6 -7.385 8.577 8.181 1.00 90.84 C ATOM 75 C THR A 6 -6.801 7.499 7.284 1.00 90.84 C ATOM 76 O THR A 6 -7.311 6.385 7.230 1.00 90.84 O ATOM 77 CB THR A 6 -8.328 9.514 7.392 1.00 90.84 C ATOM 78 OG1 THR A 6 -9.017 10.384 8.298 1.00 90.84 O ATOM 79 CG2 THR A 6 -9.336 8.742 6.563 1.00 90.84 C ATOM 0 H THR A 6 -6.262 10.308 8.439 1.00 90.84 H new ATOM 0 HA THR A 6 -7.966 8.085 8.961 1.00 90.84 H new ATOM 0 HB THR A 6 -7.713 10.098 6.707 1.00 90.84 H new ATOM 0 HG1 THR A 6 -9.612 10.977 7.793 1.00 90.84 H new ATOM 0 HG21 THR A 6 -9.977 9.441 6.026 1.00 90.84 H new ATOM 0 HG22 THR A 6 -8.810 8.109 5.848 1.00 90.84 H new ATOM 0 HG23 THR A 6 -9.946 8.120 7.218 1.00 90.84 H new ATOM 87 N LEU A 7 -5.714 7.829 6.596 1.00 63.89 N ATOM 88 CA LEU A 7 -5.045 6.870 5.723 1.00 63.89 C ATOM 89 C LEU A 7 -4.731 5.592 6.494 1.00 63.89 C ATOM 90 O LEU A 7 -5.184 4.504 6.141 1.00 63.89 O ATOM 91 CB LEU A 7 -3.746 7.476 5.181 1.00 63.89 C ATOM 92 CG LEU A 7 -2.805 6.485 4.495 1.00 63.89 C ATOM 93 CD1 LEU A 7 -3.438 5.953 3.226 1.00 63.89 C ATOM 94 CD2 LEU A 7 -1.450 7.120 4.227 1.00 63.89 C ATOM 0 H LEU A 7 -5.278 8.751 6.625 1.00 63.89 H new ATOM 0 HA LEU A 7 -5.706 6.631 4.890 1.00 63.89 H new ATOM 0 HB2 LEU A 7 -3.999 8.264 4.471 1.00 63.89 H new ATOM 0 HB3 LEU A 7 -3.212 7.949 6.005 1.00 63.89 H new ATOM 0 HG LEU A 7 -2.637 5.640 5.163 1.00 63.89 H new ATOM 0 HD11 LEU A 7 -2.758 5.249 2.748 1.00 63.89 H new ATOM 0 HD12 LEU A 7 -4.372 5.447 3.470 1.00 63.89 H new ATOM 0 HD13 LEU A 7 -3.641 6.780 2.546 1.00 63.89 H new ATOM 0 HD21 LEU A 7 -0.799 6.395 3.739 1.00 63.89 H new ATOM 0 HD22 LEU A 7 -1.577 7.988 3.580 1.00 63.89 H new ATOM 0 HD23 LEU A 7 -1.002 7.433 5.170 1.00 63.89 H new ATOM 106 N LEU A 8 -3.965 5.757 7.559 1.00 67.93 N ATOM 107 CA LEU A 8 -3.588 4.650 8.413 1.00 67.93 C ATOM 108 C LEU A 8 -4.827 3.995 9.005 1.00 67.93 C ATOM 109 O LEU A 8 -4.890 2.782 9.142 1.00 67.93 O ATOM 110 CB LEU A 8 -2.662 5.146 9.520 1.00 67.93 C ATOM 111 CG LEU A 8 -1.164 5.206 9.170 1.00 67.93 C ATOM 112 CD1 LEU A 8 -0.927 5.633 7.725 1.00 67.93 C ATOM 113 CD2 LEU A 8 -0.436 6.141 10.122 1.00 67.93 C ATOM 0 H LEU A 8 -3.590 6.659 7.853 1.00 67.93 H new ATOM 0 HA LEU A 8 -3.059 3.905 7.819 1.00 67.93 H new ATOM 0 HB2 LEU A 8 -2.986 6.143 9.817 1.00 67.93 H new ATOM 0 HB3 LEU A 8 -2.786 4.498 10.388 1.00 67.93 H new ATOM 0 HG LEU A 8 -0.765 4.198 9.280 1.00 67.93 H new ATOM 0 HD11 LEU A 8 0.144 5.661 7.525 1.00 67.93 H new ATOM 0 HD12 LEU A 8 -1.403 4.920 7.052 1.00 67.93 H new ATOM 0 HD13 LEU A 8 -1.352 6.624 7.564 1.00 67.93 H new ATOM 0 HD21 LEU A 8 0.622 6.173 9.862 1.00 67.93 H new ATOM 0 HD22 LEU A 8 -0.860 7.142 10.043 1.00 67.93 H new ATOM 0 HD23 LEU A 8 -0.548 5.779 11.144 1.00 67.93 H new ATOM 125 N GLN A 9 -5.821 4.813 9.328 1.00 42.21 N ATOM 126 CA GLN A 9 -7.068 4.322 9.882 1.00 42.21 C ATOM 127 C GLN A 9 -7.779 3.456 8.840 1.00 42.21 C ATOM 128 O GLN A 9 -8.357 2.420 9.169 1.00 42.21 O ATOM 129 CB GLN A 9 -7.896 5.547 10.312 1.00 42.21 C ATOM 130 CG GLN A 9 -9.402 5.362 10.355 1.00 42.21 C ATOM 131 CD GLN A 9 -9.999 5.682 11.713 1.00 42.21 C ATOM 132 OE1 GLN A 9 -10.744 6.649 11.864 1.00 42.21 O ATOM 133 NE2 GLN A 9 -9.670 4.869 12.711 1.00 42.21 N ATOM 0 H GLN A 9 -5.783 5.826 9.213 1.00 42.21 H new ATOM 0 HA GLN A 9 -6.909 3.689 10.755 1.00 42.21 H new ATOM 0 HB2 GLN A 9 -7.561 5.855 11.302 1.00 42.21 H new ATOM 0 HB3 GLN A 9 -7.672 6.367 9.630 1.00 42.21 H new ATOM 0 HG2 GLN A 9 -9.863 6.001 9.602 1.00 42.21 H new ATOM 0 HG3 GLN A 9 -9.644 4.332 10.091 1.00 42.21 H new ATOM 0 HE21 GLN A 9 -9.049 4.078 12.541 1.00 42.21 H new ATOM 0 HE22 GLN A 9 -10.039 5.036 13.647 1.00 42.21 H new ATOM 142 N ASP A 10 -7.728 3.889 7.588 1.00 76.39 N ATOM 143 CA ASP A 10 -8.364 3.149 6.506 1.00 76.39 C ATOM 144 C ASP A 10 -7.785 1.749 6.375 1.00 76.39 C ATOM 145 O ASP A 10 -8.538 0.775 6.359 1.00 76.39 O ATOM 146 CB ASP A 10 -8.242 3.905 5.181 1.00 76.39 C ATOM 147 CG ASP A 10 -9.123 5.141 5.126 1.00 76.39 C ATOM 148 OD1 ASP A 10 -9.965 5.313 6.033 1.00 76.39 O ATOM 149 OD2 ASP A 10 -8.974 5.933 4.173 1.00 76.39 O ATOM 0 H ASP A 10 -7.255 4.745 7.297 1.00 76.39 H new ATOM 0 HA ASP A 10 -9.421 3.053 6.753 1.00 76.39 H new ATOM 0 HB2 ASP A 10 -7.203 4.198 5.029 1.00 76.39 H new ATOM 0 HB3 ASP A 10 -8.508 3.238 4.361 1.00 76.39 H new ATOM 154 N LEU A 11 -6.455 1.621 6.319 1.00140.58 N ATOM 155 CA LEU A 11 -5.865 0.296 6.242 1.00140.58 C ATOM 156 C LEU A 11 -6.147 -0.430 7.543 1.00140.58 C ATOM 157 O LEU A 11 -6.378 -1.633 7.542 1.00140.58 O ATOM 158 CB LEU A 11 -4.379 0.344 5.897 1.00140.58 C ATOM 159 CG LEU A 11 -3.440 0.760 7.017 1.00140.58 C ATOM 160 CD1 LEU A 11 -3.012 -0.463 7.819 1.00140.58 C ATOM 161 CD2 LEU A 11 -2.233 1.491 6.431 1.00140.58 C ATOM 0 H LEU A 11 -5.792 2.396 6.326 1.00140.58 H new ATOM 0 HA LEU A 11 -6.321 -0.260 5.423 1.00140.58 H new ATOM 0 HB2 LEU A 11 -4.077 -0.643 5.547 1.00140.58 H new ATOM 0 HB3 LEU A 11 -4.244 1.033 5.063 1.00140.58 H new ATOM 0 HG LEU A 11 -3.956 1.441 7.694 1.00140.58 H new ATOM 0 HD11 LEU A 11 -2.339 -0.156 8.620 1.00140.58 H new ATOM 0 HD12 LEU A 11 -3.892 -0.943 8.248 1.00140.58 H new ATOM 0 HD13 LEU A 11 -2.499 -1.167 7.164 1.00140.58 H new ATOM 0 HD21 LEU A 11 -1.561 1.788 7.236 1.00140.58 H new ATOM 0 HD22 LEU A 11 -1.705 0.829 5.744 1.00140.58 H new ATOM 0 HD23 LEU A 11 -2.570 2.378 5.894 1.00140.58 H new ATOM 173 N THR A 12 -6.197 0.327 8.650 1.00103.83 N ATOM 174 CA THR A 12 -6.532 -0.242 9.940 1.00103.83 C ATOM 175 C THR A 12 -7.935 -0.835 9.864 1.00103.83 C ATOM 176 O THR A 12 -8.207 -1.903 10.404 1.00103.83 O ATOM 177 CB THR A 12 -6.480 0.796 11.071 1.00103.83 C ATOM 178 OG1 THR A 12 -5.205 1.434 11.110 1.00103.83 O ATOM 179 CG2 THR A 12 -6.727 0.125 12.394 1.00103.83 C ATOM 0 H THR A 12 -6.009 1.329 8.666 1.00103.83 H new ATOM 0 HA THR A 12 -5.793 -1.009 10.170 1.00103.83 H new ATOM 0 HB THR A 12 -7.251 1.543 10.882 1.00103.83 H new ATOM 0 HG1 THR A 12 -5.225 2.239 10.551 1.00103.83 H new ATOM 0 HG21 THR A 12 -6.689 0.867 13.191 1.00103.83 H new ATOM 0 HG22 THR A 12 -7.709 -0.347 12.385 1.00103.83 H new ATOM 0 HG23 THR A 12 -5.962 -0.632 12.566 1.00103.83 H new ATOM 187 N ASN A 13 -8.814 -0.149 9.142 1.00 36.97 N ATOM 188 CA ASN A 13 -10.173 -0.633 8.945 1.00 36.97 C ATOM 189 C ASN A 13 -10.127 -1.942 8.165 1.00 36.97 C ATOM 190 O ASN A 13 -10.949 -2.836 8.374 1.00 36.97 O ATOM 191 CB ASN A 13 -11.027 0.400 8.204 1.00 36.97 C ATOM 192 CG ASN A 13 -11.223 1.672 9.006 1.00 36.97 C ATOM 193 OD1 ASN A 13 -11.142 1.665 10.235 1.00 36.97 O ATOM 194 ND2 ASN A 13 -11.482 2.774 8.311 1.00 36.97 N ATOM 0 H ASN A 13 -8.610 0.740 8.686 1.00 36.97 H new ATOM 0 HA ASN A 13 -10.633 -0.801 9.919 1.00 36.97 H new ATOM 0 HB2 ASN A 13 -10.554 0.643 7.253 1.00 36.97 H new ATOM 0 HB3 ASN A 13 -12.000 -0.035 7.974 1.00 36.97 H new ATOM 0 HD21 ASN A 13 -11.623 3.661 8.795 1.00 36.97 H new ATOM 0 HD22 ASN A 13 -11.540 2.733 7.293 1.00 36.97 H new ATOM 201 N ASN A 14 -9.130 -2.057 7.281 1.00 84.59 N ATOM 202 CA ASN A 14 -8.941 -3.268 6.487 1.00 84.59 C ATOM 203 C ASN A 14 -7.933 -4.208 7.156 1.00 84.59 C ATOM 204 O ASN A 14 -7.596 -5.259 6.608 1.00 84.59 O ATOM 205 CB ASN A 14 -8.456 -2.902 5.084 1.00 84.59 C ATOM 206 CG ASN A 14 -9.422 -1.986 4.361 1.00 84.59 C ATOM 207 OD1 ASN A 14 -10.576 -2.344 4.124 1.00 84.59 O ATOM 208 ND2 ASN A 14 -8.957 -0.792 4.018 1.00 84.59 N ATOM 0 H ASN A 14 -8.444 -1.324 7.100 1.00 84.59 H new ATOM 0 HA ASN A 14 -9.899 -3.783 6.416 1.00 84.59 H new ATOM 0 HB2 ASN A 14 -7.482 -2.417 5.154 1.00 84.59 H new ATOM 0 HB3 ASN A 14 -8.317 -3.813 4.501 1.00 84.59 H new ATOM 0 HD21 ASN A 14 -9.563 -0.127 3.537 1.00 84.59 H new ATOM 0 HD22 ASN A 14 -7.993 -0.538 4.235 1.00 84.59 H new ATOM 215 N ILE A 15 -7.440 -3.814 8.330 1.00120.44 N ATOM 216 CA ILE A 15 -6.466 -4.591 9.056 1.00120.44 C ATOM 217 C ILE A 15 -7.118 -5.564 10.043 1.00120.44 C ATOM 218 O ILE A 15 -7.803 -5.157 10.980 1.00120.44 O ATOM 219 CB ILE A 15 -5.472 -3.615 9.764 1.00120.44 C ATOM 220 CG1 ILE A 15 -4.059 -4.102 9.596 1.00120.44 C ATOM 221 CG2 ILE A 15 -5.761 -3.367 11.241 1.00120.44 C ATOM 222 CD1 ILE A 15 -3.819 -5.460 10.205 1.00120.44 C ATOM 0 H ILE A 15 -7.711 -2.947 8.794 1.00120.44 H new ATOM 0 HA ILE A 15 -5.916 -5.216 8.353 1.00120.44 H new ATOM 0 HB ILE A 15 -5.611 -2.653 9.270 1.00120.44 H new ATOM 0 HG12 ILE A 15 -3.820 -4.141 8.533 1.00120.44 H new ATOM 0 HG13 ILE A 15 -3.378 -3.382 10.050 1.00120.44 H new ATOM 0 HG21 ILE A 15 -5.020 -2.678 11.646 1.00120.44 H new ATOM 0 HG22 ILE A 15 -6.756 -2.935 11.350 1.00120.44 H new ATOM 0 HG23 ILE A 15 -5.714 -4.311 11.784 1.00120.44 H new ATOM 0 HD11 ILE A 15 -2.780 -5.751 10.048 1.00120.44 H new ATOM 0 HD12 ILE A 15 -4.027 -5.421 11.274 1.00120.44 H new ATOM 0 HD13 ILE A 15 -4.476 -6.191 9.734 1.00120.44 H new ATOM 234 N THR A 16 -6.878 -6.851 9.838 1.00158.94 N ATOM 235 CA THR A 16 -7.411 -7.859 10.731 1.00158.94 C ATOM 236 C THR A 16 -6.430 -8.128 11.839 1.00158.94 C ATOM 237 O THR A 16 -5.233 -7.878 11.695 1.00158.94 O ATOM 238 CB THR A 16 -7.687 -9.194 10.030 1.00158.94 C ATOM 239 OG1 THR A 16 -6.464 -9.792 9.599 1.00158.94 O ATOM 240 CG2 THR A 16 -8.609 -9.010 8.855 1.00158.94 C ATOM 0 H THR A 16 -6.321 -7.216 9.065 1.00158.94 H new ATOM 0 HA THR A 16 -8.353 -7.462 11.109 1.00158.94 H new ATOM 0 HB THR A 16 -8.174 -9.854 10.748 1.00158.94 H new ATOM 0 HG1 THR A 16 -6.655 -10.644 9.154 1.00158.94 H new ATOM 0 HG21 THR A 16 -8.787 -9.974 8.378 1.00158.94 H new ATOM 0 HG22 THR A 16 -9.557 -8.595 9.198 1.00158.94 H new ATOM 0 HG23 THR A 16 -8.152 -8.328 8.137 1.00158.94 H new ATOM 248 N LEU A 17 -6.923 -8.675 12.932 1.00 50.69 N ATOM 249 CA LEU A 17 -6.052 -9.014 14.045 1.00 50.69 C ATOM 250 C LEU A 17 -5.022 -10.038 13.580 1.00 50.69 C ATOM 251 O LEU A 17 -3.859 -10.005 13.984 1.00 50.69 O ATOM 252 CB LEU A 17 -6.852 -9.556 15.228 1.00 50.69 C ATOM 253 CG LEU A 17 -6.109 -9.576 16.571 1.00 50.69 C ATOM 254 CD1 LEU A 17 -5.218 -10.802 16.674 1.00 50.69 C ATOM 255 CD2 LEU A 17 -5.295 -8.304 16.784 1.00 50.69 C ATOM 0 H LEU A 17 -7.909 -8.893 13.075 1.00 50.69 H new ATOM 0 HA LEU A 17 -5.543 -8.111 14.382 1.00 50.69 H new ATOM 0 HB2 LEU A 17 -7.755 -8.955 15.340 1.00 50.69 H new ATOM 0 HB3 LEU A 17 -7.172 -10.571 14.994 1.00 50.69 H new ATOM 0 HG LEU A 17 -6.860 -9.623 17.359 1.00 50.69 H new ATOM 0 HD11 LEU A 17 -4.701 -10.796 17.633 1.00 50.69 H new ATOM 0 HD12 LEU A 17 -5.827 -11.702 16.596 1.00 50.69 H new ATOM 0 HD13 LEU A 17 -4.486 -10.788 15.867 1.00 50.69 H new ATOM 0 HD21 LEU A 17 -4.784 -8.356 17.745 1.00 50.69 H new ATOM 0 HD22 LEU A 17 -4.559 -8.205 15.986 1.00 50.69 H new ATOM 0 HD23 LEU A 17 -5.960 -7.440 16.773 1.00 50.69 H new ATOM 267 N GLU A 18 -5.471 -10.931 12.697 1.00107.93 N ATOM 268 CA GLU A 18 -4.610 -11.955 12.132 1.00107.93 C ATOM 269 C GLU A 18 -3.586 -11.316 11.202 1.00107.93 C ATOM 270 O GLU A 18 -2.392 -11.613 11.270 1.00107.93 O ATOM 271 CB GLU A 18 -5.459 -12.973 11.367 1.00107.93 C ATOM 272 CG GLU A 18 -6.412 -13.755 12.258 1.00107.93 C ATOM 273 CD GLU A 18 -7.237 -14.770 11.492 1.00107.93 C ATOM 274 OE1 GLU A 18 -7.301 -14.669 10.247 1.00107.93 O ATOM 275 OE2 GLU A 18 -7.818 -15.669 12.135 1.00107.93 O ATOM 0 H GLU A 18 -6.433 -10.960 12.360 1.00107.93 H new ATOM 0 HA GLU A 18 -4.080 -12.467 12.935 1.00107.93 H new ATOM 0 HB2 GLU A 18 -6.034 -12.453 10.601 1.00107.93 H new ATOM 0 HB3 GLU A 18 -4.799 -13.671 10.852 1.00107.93 H new ATOM 0 HG2 GLU A 18 -5.840 -14.268 13.031 1.00107.93 H new ATOM 0 HG3 GLU A 18 -7.081 -13.059 12.765 1.00107.93 H new ATOM 282 N ASP A 19 -4.064 -10.412 10.348 1.00 35.40 N ATOM 283 CA ASP A 19 -3.192 -9.706 9.422 1.00 35.40 C ATOM 284 C ASP A 19 -2.152 -8.900 10.181 1.00 35.40 C ATOM 285 O ASP A 19 -0.989 -8.845 9.783 1.00 35.40 O ATOM 286 CB ASP A 19 -4.005 -8.799 8.496 1.00 35.40 C ATOM 287 CG ASP A 19 -4.798 -9.581 7.464 1.00 35.40 C ATOM 288 OD1 ASP A 19 -4.509 -10.783 7.279 1.00 35.40 O ATOM 289 OD2 ASP A 19 -5.709 -8.993 6.846 1.00 35.40 O ATOM 0 H ASP A 19 -5.049 -10.154 10.281 1.00 35.40 H new ATOM 0 HA ASP A 19 -2.676 -10.444 8.808 1.00 35.40 H new ATOM 0 HB2 ASP A 19 -4.688 -8.195 9.093 1.00 35.40 H new ATOM 0 HB3 ASP A 19 -3.332 -8.109 7.986 1.00 35.40 H new ATOM 294 N LEU A 20 -2.571 -8.284 11.290 1.00 45.47 N ATOM 295 CA LEU A 20 -1.652 -7.493 12.105 1.00 45.47 C ATOM 296 C LEU A 20 -0.482 -8.340 12.556 1.00 45.47 C ATOM 297 O LEU A 20 0.660 -7.910 12.482 1.00 45.47 O ATOM 298 CB LEU A 20 -2.355 -6.882 13.324 1.00 45.47 C ATOM 299 CG LEU A 20 -2.526 -5.363 13.281 1.00 45.47 C ATOM 300 CD1 LEU A 20 -3.062 -4.849 14.613 1.00 45.47 C ATOM 301 CD2 LEU A 20 -1.210 -4.668 12.910 1.00 45.47 C ATOM 0 H LEU A 20 -3.529 -8.318 11.639 1.00 45.47 H new ATOM 0 HA LEU A 20 -1.287 -6.676 11.483 1.00 45.47 H new ATOM 0 HB2 LEU A 20 -3.339 -7.340 13.424 1.00 45.47 H new ATOM 0 HB3 LEU A 20 -1.790 -7.143 14.219 1.00 45.47 H new ATOM 0 HG LEU A 20 -3.253 -5.124 12.505 1.00 45.47 H new ATOM 0 HD11 LEU A 20 -3.178 -3.766 14.565 1.00 45.47 H new ATOM 0 HD12 LEU A 20 -4.029 -5.309 14.818 1.00 45.47 H new ATOM 0 HD13 LEU A 20 -2.363 -5.104 15.409 1.00 45.47 H new ATOM 0 HD21 LEU A 20 -1.362 -3.589 12.887 1.00 45.47 H new ATOM 0 HD22 LEU A 20 -0.449 -4.911 13.651 1.00 45.47 H new ATOM 0 HD23 LEU A 20 -0.883 -5.009 11.928 1.00 45.47 H new ATOM 313 N GLU A 21 -0.766 -9.557 12.999 1.00 91.26 N ATOM 314 CA GLU A 21 0.292 -10.455 13.432 1.00 91.26 C ATOM 315 C GLU A 21 1.252 -10.725 12.284 1.00 91.26 C ATOM 316 O GLU A 21 2.429 -10.996 12.502 1.00 91.26 O ATOM 317 CB GLU A 21 -0.267 -11.775 13.942 1.00 91.26 C ATOM 318 CG GLU A 21 -1.130 -11.643 15.188 1.00 91.26 C ATOM 319 CD GLU A 21 -1.671 -12.979 15.667 1.00 91.26 C ATOM 320 OE1 GLU A 21 -1.595 -13.963 14.902 1.00 91.26 O ATOM 321 OE2 GLU A 21 -2.176 -13.038 16.808 1.00 91.26 O ATOM 0 H GLU A 21 -1.709 -9.941 13.067 1.00 91.26 H new ATOM 0 HA GLU A 21 0.821 -9.967 14.251 1.00 91.26 H new ATOM 0 HB2 GLU A 21 -0.858 -12.237 13.151 1.00 91.26 H new ATOM 0 HB3 GLU A 21 0.562 -12.450 14.157 1.00 91.26 H new ATOM 0 HG2 GLU A 21 -0.544 -11.186 15.985 1.00 91.26 H new ATOM 0 HG3 GLU A 21 -1.963 -10.971 14.979 1.00 91.26 H new ATOM 328 N GLN A 22 0.749 -10.620 11.056 1.00 87.96 N ATOM 329 CA GLN A 22 1.593 -10.828 9.894 1.00 87.96 C ATOM 330 C GLN A 22 2.505 -9.633 9.752 1.00 87.96 C ATOM 331 O GLN A 22 3.714 -9.771 9.567 1.00 87.96 O ATOM 332 CB GLN A 22 0.766 -11.035 8.629 1.00 87.96 C ATOM 333 CG GLN A 22 1.613 -11.425 7.432 1.00 87.96 C ATOM 334 CD GLN A 22 0.784 -11.970 6.285 1.00 87.96 C ATOM 335 OE1 GLN A 22 0.882 -13.148 5.938 1.00 87.96 O ATOM 336 NE2 GLN A 22 -0.046 -11.118 5.695 1.00 87.96 N ATOM 0 H GLN A 22 -0.224 -10.396 10.847 1.00 87.96 H new ATOM 0 HA GLN A 22 2.182 -11.734 10.033 1.00 87.96 H new ATOM 0 HB2 GLN A 22 0.021 -11.810 8.810 1.00 87.96 H new ATOM 0 HB3 GLN A 22 0.223 -10.118 8.401 1.00 87.96 H new ATOM 0 HG2 GLN A 22 2.174 -10.555 7.089 1.00 87.96 H new ATOM 0 HG3 GLN A 22 2.343 -12.175 7.737 1.00 87.96 H new ATOM 0 HE21 GLN A 22 -0.096 -10.151 6.014 1.00 87.96 H new ATOM 0 HE22 GLN A 22 -0.634 -11.431 4.923 1.00 87.96 H new ATOM 345 N LEU A 23 1.916 -8.451 9.905 1.00 99.30 N ATOM 346 CA LEU A 23 2.666 -7.213 9.866 1.00 99.30 C ATOM 347 C LEU A 23 3.663 -7.236 11.010 1.00 99.30 C ATOM 348 O LEU A 23 4.852 -7.023 10.828 1.00 99.30 O ATOM 349 CB LEU A 23 1.713 -6.028 10.052 1.00 99.30 C ATOM 350 CG LEU A 23 0.508 -6.008 9.116 1.00 99.30 C ATOM 351 CD1 LEU A 23 -0.316 -4.746 9.329 1.00 99.30 C ATOM 352 CD2 LEU A 23 0.952 -6.137 7.665 1.00 99.30 C ATOM 0 H LEU A 23 0.915 -8.331 10.058 1.00 99.30 H new ATOM 0 HA LEU A 23 3.178 -7.111 8.909 1.00 99.30 H new ATOM 0 HB2 LEU A 23 1.353 -6.030 11.081 1.00 99.30 H new ATOM 0 HB3 LEU A 23 2.276 -5.105 9.913 1.00 99.30 H new ATOM 0 HG LEU A 23 -0.124 -6.865 9.350 1.00 99.30 H new ATOM 0 HD11 LEU A 23 -1.170 -4.751 8.652 1.00 99.30 H new ATOM 0 HD12 LEU A 23 -0.669 -4.712 10.360 1.00 99.30 H new ATOM 0 HD13 LEU A 23 0.301 -3.870 9.128 1.00 99.30 H new ATOM 0 HD21 LEU A 23 0.078 -6.121 7.014 1.00 99.30 H new ATOM 0 HD22 LEU A 23 1.610 -5.306 7.410 1.00 99.30 H new ATOM 0 HD23 LEU A 23 1.487 -7.077 7.530 1.00 99.30 H new ATOM 364 N LYS A 24 3.131 -7.543 12.190 1.00114.71 N ATOM 365 CA LYS A 24 3.909 -7.638 13.418 1.00114.71 C ATOM 366 C LYS A 24 5.026 -8.668 13.283 1.00114.71 C ATOM 367 O LYS A 24 6.149 -8.441 13.733 1.00114.71 O ATOM 368 CB LYS A 24 2.976 -8.011 14.577 1.00114.71 C ATOM 369 CG LYS A 24 1.941 -6.933 14.880 1.00114.71 C ATOM 370 CD LYS A 24 0.764 -7.468 15.685 1.00114.71 C ATOM 371 CE LYS A 24 1.123 -7.664 17.145 1.00114.71 C ATOM 372 NZ LYS A 24 1.586 -9.052 17.418 1.00114.71 N ATOM 0 H LYS A 24 2.138 -7.734 12.320 1.00114.71 H new ATOM 0 HA LYS A 24 4.373 -6.672 13.617 1.00114.71 H new ATOM 0 HB2 LYS A 24 2.463 -8.942 14.338 1.00114.71 H new ATOM 0 HB3 LYS A 24 3.572 -8.196 15.471 1.00114.71 H new ATOM 0 HG2 LYS A 24 2.416 -6.122 15.432 1.00114.71 H new ATOM 0 HG3 LYS A 24 1.575 -6.511 13.944 1.00114.71 H new ATOM 0 HD2 LYS A 24 -0.074 -6.776 15.607 1.00114.71 H new ATOM 0 HD3 LYS A 24 0.435 -8.417 15.261 1.00114.71 H new ATOM 0 HE2 LYS A 24 1.905 -6.958 17.425 1.00114.71 H new ATOM 0 HE3 LYS A 24 0.255 -7.441 17.766 1.00114.71 H new ATOM 0 HZ1 LYS A 24 0.990 -9.478 18.156 1.00114.71 H new ATOM 0 HZ2 LYS A 24 1.518 -9.618 16.548 1.00114.71 H new ATOM 0 HZ3 LYS A 24 2.574 -9.031 17.741 1.00114.71 H new ATOM 386 N SER A 25 4.718 -9.790 12.635 1.00 75.52 N ATOM 387 CA SER A 25 5.706 -10.842 12.411 1.00 75.52 C ATOM 388 C SER A 25 6.823 -10.289 11.547 1.00 75.52 C ATOM 389 O SER A 25 8.006 -10.520 11.797 1.00 75.52 O ATOM 390 CB SER A 25 5.058 -12.053 11.728 1.00 75.52 C ATOM 391 OG SER A 25 4.183 -12.732 12.614 1.00 75.52 O ATOM 0 H SER A 25 3.793 -9.993 12.256 1.00 75.52 H new ATOM 0 HA SER A 25 6.109 -11.171 13.369 1.00 75.52 H new ATOM 0 HB2 SER A 25 4.506 -11.725 10.847 1.00 75.52 H new ATOM 0 HB3 SER A 25 5.833 -12.737 11.382 1.00 75.52 H new ATOM 0 HG SER A 25 3.487 -12.115 12.924 1.00 75.52 H new ATOM 397 N ALA A 26 6.420 -9.509 10.555 1.00 32.46 N ATOM 398 CA ALA A 26 7.352 -8.853 9.666 1.00 32.46 C ATOM 399 C ALA A 26 8.082 -7.761 10.432 1.00 32.46 C ATOM 400 O ALA A 26 9.268 -7.510 10.212 1.00 32.46 O ATOM 401 CB ALA A 26 6.614 -8.286 8.461 1.00 32.46 C ATOM 0 H ALA A 26 5.440 -9.317 10.349 1.00 32.46 H new ATOM 0 HA ALA A 26 8.084 -9.571 9.297 1.00 32.46 H new ATOM 0 HB1 ALA A 26 7.325 -7.794 7.797 1.00 32.46 H new ATOM 0 HB2 ALA A 26 6.117 -9.095 7.925 1.00 32.46 H new ATOM 0 HB3 ALA A 26 5.871 -7.563 8.797 1.00 32.46 H new ATOM 407 N CYS A 27 7.355 -7.123 11.353 1.00 54.89 N ATOM 408 CA CYS A 27 7.921 -6.069 12.177 1.00 54.89 C ATOM 409 C CYS A 27 8.670 -6.633 13.367 1.00 54.89 C ATOM 410 O CYS A 27 9.234 -5.877 14.146 1.00 54.89 O ATOM 411 CB CYS A 27 6.846 -5.132 12.706 1.00 54.89 C ATOM 412 SG CYS A 27 5.785 -4.423 11.440 1.00 54.89 S ATOM 0 H CYS A 27 6.373 -7.323 11.542 1.00 54.89 H new ATOM 0 HA CYS A 27 8.607 -5.520 11.532 1.00 54.89 H new ATOM 0 HB2 CYS A 27 6.226 -5.676 13.418 1.00 54.89 H new ATOM 0 HB3 CYS A 27 7.326 -4.322 13.255 1.00 54.89 H new ATOM 0 HG CYS A 27 5.064 -3.474 11.960 1.00 54.89 H new ATOM 418 N LYS A 28 8.680 -7.955 13.532 1.00157.95 N ATOM 419 CA LYS A 28 9.378 -8.547 14.670 1.00157.95 C ATOM 420 C LYS A 28 10.822 -8.027 14.725 1.00157.95 C ATOM 421 O LYS A 28 11.404 -7.873 15.799 1.00157.95 O ATOM 422 CB LYS A 28 9.307 -10.081 14.585 1.00157.95 C ATOM 423 CG LYS A 28 10.405 -10.728 13.760 1.00157.95 C ATOM 424 CD LYS A 28 11.580 -11.108 14.638 1.00157.95 C ATOM 425 CE LYS A 28 12.768 -11.597 13.822 1.00157.95 C ATOM 426 NZ LYS A 28 13.284 -12.901 14.325 1.00157.95 N ATOM 0 H LYS A 28 8.225 -8.622 12.909 1.00157.95 H new ATOM 0 HA LYS A 28 8.893 -8.252 15.601 1.00157.95 H new ATOM 0 HB2 LYS A 28 9.344 -10.488 15.595 1.00157.95 H new ATOM 0 HB3 LYS A 28 8.342 -10.363 14.163 1.00157.95 H new ATOM 0 HG2 LYS A 28 10.016 -11.615 13.260 1.00157.95 H new ATOM 0 HG3 LYS A 28 10.734 -10.041 12.980 1.00157.95 H new ATOM 0 HD2 LYS A 28 11.880 -10.247 15.235 1.00157.95 H new ATOM 0 HD3 LYS A 28 11.274 -11.888 15.336 1.00157.95 H new ATOM 0 HE2 LYS A 28 12.474 -11.701 12.778 1.00157.95 H new ATOM 0 HE3 LYS A 28 13.564 -10.853 13.857 1.00157.95 H new ATOM 0 HZ1 LYS A 28 14.093 -13.202 13.744 1.00157.95 H new ATOM 0 HZ2 LYS A 28 13.588 -12.796 15.314 1.00157.95 H new ATOM 0 HZ3 LYS A 28 12.532 -13.617 14.268 1.00157.95 H new ATOM 440 N GLU A 29 11.369 -7.734 13.549 1.00243.70 N ATOM 441 CA GLU A 29 12.717 -7.198 13.433 1.00243.70 C ATOM 442 C GLU A 29 12.779 -5.695 13.739 1.00243.70 C ATOM 443 O GLU A 29 13.742 -5.221 14.343 1.00243.70 O ATOM 444 CB GLU A 29 13.259 -7.453 12.025 1.00243.70 C ATOM 445 CG GLU A 29 13.337 -8.926 11.658 1.00243.70 C ATOM 446 CD GLU A 29 13.975 -9.163 10.300 1.00243.70 C ATOM 447 OE1 GLU A 29 14.184 -8.179 9.559 1.00243.70 O ATOM 448 OE2 GLU A 29 14.262 -10.336 9.978 1.00243.70 O ATOM 0 H GLU A 29 10.892 -7.861 12.656 1.00243.70 H new ATOM 0 HA GLU A 29 13.331 -7.711 14.173 1.00243.70 H new ATOM 0 HB2 GLU A 29 12.624 -6.941 11.302 1.00243.70 H new ATOM 0 HB3 GLU A 29 14.253 -7.014 11.943 1.00243.70 H new ATOM 0 HG2 GLU A 29 13.909 -9.455 12.420 1.00243.70 H new ATOM 0 HG3 GLU A 29 12.333 -9.350 11.661 1.00243.70 H new ATOM 455 N ASP A 30 11.773 -4.940 13.281 1.00108.85 N ATOM 456 CA ASP A 30 11.757 -3.485 13.474 1.00108.85 C ATOM 457 C ASP A 30 11.058 -3.045 14.760 1.00108.85 C ATOM 458 O ASP A 30 11.537 -2.149 15.456 1.00108.85 O ATOM 459 CB ASP A 30 11.099 -2.801 12.265 1.00108.85 C ATOM 460 CG ASP A 30 11.937 -2.912 11.007 1.00108.85 C ATOM 461 OD1 ASP A 30 13.116 -3.314 11.108 1.00108.85 O ATOM 462 OD2 ASP A 30 11.415 -2.593 9.918 1.00108.85 O ATOM 0 H ASP A 30 10.966 -5.309 12.778 1.00108.85 H new ATOM 0 HA ASP A 30 12.799 -3.177 13.565 1.00108.85 H new ATOM 0 HB2 ASP A 30 10.121 -3.248 12.087 1.00108.85 H new ATOM 0 HB3 ASP A 30 10.931 -1.749 12.494 1.00108.85 H new ATOM 467 N ILE A 31 9.914 -3.647 15.058 1.00355.97 N ATOM 468 CA ILE A 31 9.143 -3.288 16.236 1.00355.97 C ATOM 469 C ILE A 31 9.268 -4.351 17.338 1.00355.97 C ATOM 470 O ILE A 31 9.182 -5.548 17.062 1.00355.97 O ATOM 471 CB ILE A 31 7.667 -3.032 15.844 1.00355.97 C ATOM 472 CG1 ILE A 31 7.023 -2.056 16.825 1.00355.97 C ATOM 473 CG2 ILE A 31 6.849 -4.314 15.696 1.00355.97 C ATOM 474 CD1 ILE A 31 6.530 -2.676 18.108 1.00355.97 C ATOM 0 H ILE A 31 9.500 -4.390 14.495 1.00355.97 H new ATOM 0 HA ILE A 31 9.550 -2.365 16.649 1.00355.97 H new ATOM 0 HB ILE A 31 7.672 -2.579 14.853 1.00355.97 H new ATOM 0 HG12 ILE A 31 7.747 -1.279 17.069 1.00355.97 H new ATOM 0 HG13 ILE A 31 6.184 -1.566 16.330 1.00355.97 H new ATOM 0 HG21 ILE A 31 5.825 -4.062 15.420 1.00355.97 H new ATOM 0 HG22 ILE A 31 7.290 -4.940 14.920 1.00355.97 H new ATOM 0 HG23 ILE A 31 6.848 -4.856 16.642 1.00355.97 H new ATOM 0 HD11 ILE A 31 6.089 -1.904 18.739 1.00355.97 H new ATOM 0 HD12 ILE A 31 5.779 -3.432 17.881 1.00355.97 H new ATOM 0 HD13 ILE A 31 7.365 -3.140 18.632 1.00355.97 H new ATOM 486 N PRO A 32 9.502 -3.933 18.603 1.00153.08 N ATOM 487 CA PRO A 32 9.669 -4.867 19.720 1.00153.08 C ATOM 488 C PRO A 32 8.432 -5.702 20.027 1.00153.08 C ATOM 489 O PRO A 32 7.302 -5.220 19.958 1.00153.08 O ATOM 490 CB PRO A 32 10.012 -3.965 20.909 1.00153.08 C ATOM 491 CG PRO A 32 9.492 -2.627 20.532 1.00153.08 C ATOM 492 CD PRO A 32 9.651 -2.532 19.044 1.00153.08 C ATOM 0 HA PRO A 32 10.434 -5.607 19.485 1.00153.08 H new ATOM 0 HB2 PRO A 32 9.547 -4.326 21.826 1.00153.08 H new ATOM 0 HB3 PRO A 32 11.087 -3.936 21.086 1.00153.08 H new ATOM 0 HG2 PRO A 32 8.447 -2.518 20.821 1.00153.08 H new ATOM 0 HG3 PRO A 32 10.047 -1.836 21.036 1.00153.08 H new ATOM 0 HD2 PRO A 32 8.895 -1.886 18.598 1.00153.08 H new ATOM 0 HD3 PRO A 32 10.623 -2.123 18.767 1.00153.08 H new ATOM 500 N SER A 33 8.668 -6.965 20.384 1.00 84.70 N ATOM 501 CA SER A 33 7.589 -7.885 20.727 1.00 84.70 C ATOM 502 C SER A 33 6.844 -7.393 21.962 1.00 84.70 C ATOM 503 O SER A 33 5.637 -7.595 22.091 1.00 84.70 O ATOM 504 CB SER A 33 8.143 -9.288 20.973 1.00 84.70 C ATOM 505 OG SER A 33 7.093 -10.225 21.147 1.00 84.70 O ATOM 0 H SER A 33 9.601 -7.373 20.442 1.00 84.70 H new ATOM 0 HA SER A 33 6.892 -7.925 19.890 1.00 84.70 H new ATOM 0 HB2 SER A 33 8.768 -9.589 20.132 1.00 84.70 H new ATOM 0 HB3 SER A 33 8.780 -9.282 21.858 1.00 84.70 H new ATOM 0 HG SER A 33 7.472 -11.116 21.301 1.00 84.70 H new ATOM 511 N GLU A 34 7.572 -6.735 22.866 1.00109.83 N ATOM 512 CA GLU A 34 6.977 -6.204 24.092 1.00109.83 C ATOM 513 C GLU A 34 5.853 -5.228 23.759 1.00109.83 C ATOM 514 O GLU A 34 4.896 -5.081 24.520 1.00109.83 O ATOM 515 CB GLU A 34 8.040 -5.511 24.947 1.00109.83 C ATOM 516 CG GLU A 34 7.525 -5.054 26.303 1.00109.83 C ATOM 517 CD GLU A 34 8.570 -4.307 27.112 1.00109.83 C ATOM 518 OE1 GLU A 34 9.704 -4.140 26.616 1.00109.83 O ATOM 519 OE2 GLU A 34 8.254 -3.891 28.247 1.00109.83 O ATOM 0 H GLU A 34 8.572 -6.558 22.772 1.00109.83 H new ATOM 0 HA GLU A 34 6.561 -7.036 24.660 1.00109.83 H new ATOM 0 HB2 GLU A 34 8.877 -6.194 25.096 1.00109.83 H new ATOM 0 HB3 GLU A 34 8.426 -4.648 24.404 1.00109.83 H new ATOM 0 HG2 GLU A 34 6.657 -4.411 26.158 1.00109.83 H new ATOM 0 HG3 GLU A 34 7.187 -5.922 26.869 1.00109.83 H new ATOM 526 N LYS A 35 5.966 -4.586 22.601 1.00 73.01 N ATOM 527 CA LYS A 35 4.953 -3.649 22.139 1.00 73.01 C ATOM 528 C LYS A 35 3.970 -4.357 21.214 1.00 73.01 C ATOM 529 O LYS A 35 2.802 -3.992 21.132 1.00 73.01 O ATOM 530 CB LYS A 35 5.620 -2.500 21.393 1.00 73.01 C ATOM 531 CG LYS A 35 6.552 -1.689 22.263 1.00 73.01 C ATOM 532 CD LYS A 35 5.770 -0.870 23.274 1.00 73.01 C ATOM 533 CE LYS A 35 6.683 0.014 24.108 1.00 73.01 C ATOM 534 NZ LYS A 35 5.943 0.692 25.208 1.00 73.01 N ATOM 0 H LYS A 35 6.754 -4.700 21.964 1.00 73.01 H new ATOM 0 HA LYS A 35 4.412 -3.257 23.000 1.00 73.01 H new ATOM 0 HB2 LYS A 35 6.179 -2.900 20.547 1.00 73.01 H new ATOM 0 HB3 LYS A 35 4.851 -1.844 20.985 1.00 73.01 H new ATOM 0 HG2 LYS A 35 7.242 -2.354 22.783 1.00 73.01 H new ATOM 0 HG3 LYS A 35 7.154 -1.028 21.640 1.00 73.01 H new ATOM 0 HD2 LYS A 35 5.040 -0.250 22.754 1.00 73.01 H new ATOM 0 HD3 LYS A 35 5.212 -1.538 23.930 1.00 73.01 H new ATOM 0 HE2 LYS A 35 7.487 -0.589 24.529 1.00 73.01 H new ATOM 0 HE3 LYS A 35 7.148 0.763 23.467 1.00 73.01 H new ATOM 0 HZ1 LYS A 35 6.600 1.285 25.754 1.00 73.01 H new ATOM 0 HZ2 LYS A 35 5.191 1.287 24.805 1.00 73.01 H new ATOM 0 HZ3 LYS A 35 5.520 -0.023 25.834 1.00 73.01 H new ATOM 548 N SER A 36 4.457 -5.395 20.540 1.00 80.12 N ATOM 549 CA SER A 36 3.640 -6.188 19.637 1.00 80.12 C ATOM 550 C SER A 36 2.450 -6.793 20.374 1.00 80.12 C ATOM 551 O SER A 36 1.388 -7.010 19.792 1.00 80.12 O ATOM 552 CB SER A 36 4.501 -7.284 19.016 1.00 80.12 C ATOM 553 OG SER A 36 3.832 -7.930 17.951 1.00 80.12 O ATOM 0 H SER A 36 5.426 -5.706 20.606 1.00 80.12 H new ATOM 0 HA SER A 36 3.249 -5.545 18.849 1.00 80.12 H new ATOM 0 HB2 SER A 36 5.434 -6.853 18.652 1.00 80.12 H new ATOM 0 HB3 SER A 36 4.765 -8.017 19.779 1.00 80.12 H new ATOM 0 HG SER A 36 4.411 -8.625 17.574 1.00 80.12 H new ATOM 559 N GLU A 37 2.639 -7.071 21.660 1.00 42.03 N ATOM 560 CA GLU A 37 1.589 -7.661 22.479 1.00 42.03 C ATOM 561 C GLU A 37 0.368 -6.750 22.567 1.00 42.03 C ATOM 562 O GLU A 37 -0.768 -7.223 22.541 1.00 42.03 O ATOM 563 CB GLU A 37 2.127 -7.954 23.879 1.00 42.03 C ATOM 564 CG GLU A 37 3.243 -8.988 23.891 1.00 42.03 C ATOM 565 CD GLU A 37 3.750 -9.291 25.290 1.00 42.03 C ATOM 566 OE1 GLU A 37 3.388 -8.551 26.229 1.00 42.03 O ATOM 567 OE2 GLU A 37 4.513 -10.268 25.444 1.00 42.03 O ATOM 0 H GLU A 37 3.512 -6.896 22.157 1.00 42.03 H new ATOM 0 HA GLU A 37 1.276 -8.592 22.006 1.00 42.03 H new ATOM 0 HB2 GLU A 37 2.495 -7.028 24.321 1.00 42.03 H new ATOM 0 HB3 GLU A 37 1.309 -8.305 24.509 1.00 42.03 H new ATOM 0 HG2 GLU A 37 2.883 -9.909 23.432 1.00 42.03 H new ATOM 0 HG3 GLU A 37 4.071 -8.629 23.279 1.00 42.03 H new ATOM 574 N GLU A 38 0.600 -5.444 22.662 1.00 75.99 N ATOM 575 CA GLU A 38 -0.503 -4.488 22.743 1.00 75.99 C ATOM 576 C GLU A 38 -0.976 -4.020 21.369 1.00 75.99 C ATOM 577 O GLU A 38 -1.903 -3.216 21.269 1.00 75.99 O ATOM 578 CB GLU A 38 -0.123 -3.280 23.597 1.00 75.99 C ATOM 579 CG GLU A 38 1.021 -2.456 23.023 1.00 75.99 C ATOM 580 CD GLU A 38 1.365 -1.260 23.890 1.00 75.99 C ATOM 581 OE1 GLU A 38 0.517 -0.351 24.011 1.00 75.99 O ATOM 582 OE2 GLU A 38 2.481 -1.234 24.450 1.00 75.99 O ATOM 0 H GLU A 38 1.530 -5.026 22.685 1.00 75.99 H new ATOM 0 HA GLU A 38 -1.330 -5.017 23.216 1.00 75.99 H new ATOM 0 HB2 GLU A 38 -0.997 -2.639 23.713 1.00 75.99 H new ATOM 0 HB3 GLU A 38 0.154 -3.624 24.593 1.00 75.99 H new ATOM 0 HG2 GLU A 38 1.902 -3.088 22.915 1.00 75.99 H new ATOM 0 HG3 GLU A 38 0.752 -2.112 22.024 1.00 75.99 H new ATOM 589 N ILE A 39 -0.353 -4.526 20.317 1.00131.16 N ATOM 590 CA ILE A 39 -0.735 -4.154 18.964 1.00131.16 C ATOM 591 C ILE A 39 -1.834 -5.070 18.444 1.00131.16 C ATOM 592 O ILE A 39 -1.609 -5.915 17.578 1.00131.16 O ATOM 593 CB ILE A 39 0.487 -4.147 18.014 1.00131.16 C ATOM 594 CG1 ILE A 39 1.436 -3.038 18.447 1.00131.16 C ATOM 595 CG2 ILE A 39 0.076 -3.945 16.559 1.00131.16 C ATOM 596 CD1 ILE A 39 2.766 -3.053 17.739 1.00131.16 C ATOM 0 H ILE A 39 0.417 -5.193 20.373 1.00131.16 H new ATOM 0 HA ILE A 39 -1.128 -3.138 18.994 1.00131.16 H new ATOM 0 HB ILE A 39 0.980 -5.117 18.077 1.00131.16 H new ATOM 0 HG12 ILE A 39 0.955 -2.075 18.273 1.00131.16 H new ATOM 0 HG13 ILE A 39 1.607 -3.120 19.520 1.00131.16 H new ATOM 0 HG21 ILE A 39 0.964 -3.947 15.927 1.00131.16 H new ATOM 0 HG22 ILE A 39 -0.589 -4.753 16.253 1.00131.16 H new ATOM 0 HG23 ILE A 39 -0.441 -2.991 16.456 1.00131.16 H new ATOM 0 HD11 ILE A 39 3.382 -2.232 18.105 1.00131.16 H new ATOM 0 HD12 ILE A 39 3.271 -4.000 17.933 1.00131.16 H new ATOM 0 HD13 ILE A 39 2.609 -2.939 16.667 1.00131.16 H new ATOM 608 N THR A 40 -3.028 -4.866 18.975 1.00160.31 N ATOM 609 CA THR A 40 -4.199 -5.640 18.568 1.00160.31 C ATOM 610 C THR A 40 -5.017 -4.895 17.500 1.00160.31 C ATOM 611 O THR A 40 -6.069 -5.363 17.066 1.00160.31 O ATOM 612 CB THR A 40 -5.099 -6.021 19.782 1.00160.31 C ATOM 613 OG1 THR A 40 -6.461 -6.198 19.368 1.00160.31 O ATOM 614 CG2 THR A 40 -5.038 -4.969 20.889 1.00160.31 C ATOM 0 H THR A 40 -3.217 -4.167 19.694 1.00160.31 H new ATOM 0 HA THR A 40 -3.828 -6.567 18.131 1.00160.31 H new ATOM 0 HB THR A 40 -4.714 -6.960 20.180 1.00160.31 H new ATOM 0 HG1 THR A 40 -6.490 -6.373 18.404 1.00160.31 H new ATOM 0 HG21 THR A 40 -5.679 -5.273 21.716 1.00160.31 H new ATOM 0 HG22 THR A 40 -4.012 -4.872 21.243 1.00160.31 H new ATOM 0 HG23 THR A 40 -5.379 -4.010 20.499 1.00160.31 H new ATOM 622 N THR A 41 -4.511 -3.741 17.077 1.00182.91 N ATOM 623 CA THR A 41 -5.149 -2.920 16.063 1.00182.91 C ATOM 624 C THR A 41 -4.118 -2.139 15.294 1.00182.91 C ATOM 625 O THR A 41 -3.077 -1.763 15.835 1.00182.91 O ATOM 626 CB THR A 41 -6.187 -1.921 16.652 1.00182.91 C ATOM 627 OG1 THR A 41 -6.302 -0.750 15.825 1.00182.91 O ATOM 628 CG2 THR A 41 -5.866 -1.490 18.081 1.00182.91 C ATOM 0 H THR A 41 -3.639 -3.349 17.433 1.00182.91 H new ATOM 0 HA THR A 41 -5.679 -3.611 15.407 1.00182.91 H new ATOM 0 HB THR A 41 -7.134 -2.461 16.673 1.00182.91 H new ATOM 0 HG1 THR A 41 -7.151 -0.299 16.013 1.00182.91 H new ATOM 0 HG21 THR A 41 -6.628 -0.794 18.431 1.00182.91 H new ATOM 0 HG22 THR A 41 -5.848 -2.366 18.730 1.00182.91 H new ATOM 0 HG23 THR A 41 -4.892 -1.002 18.104 1.00182.91 H new ATOM 636 N GLY A 42 -4.443 -1.830 14.046 1.00 66.60 N ATOM 637 CA GLY A 42 -3.555 -1.013 13.256 1.00 66.60 C ATOM 638 C GLY A 42 -3.409 0.336 13.926 1.00 66.60 C ATOM 639 O GLY A 42 -2.351 0.963 13.879 1.00 66.60 O ATOM 0 H GLY A 42 -5.297 -2.128 13.574 1.00 66.60 H new ATOM 0 HA2 GLY A 42 -2.582 -1.495 13.162 1.00 66.60 H new ATOM 0 HA3 GLY A 42 -3.950 -0.893 12.247 1.00 66.60 H new ATOM 643 N SER A 43 -4.486 0.750 14.610 1.00 41.24 N ATOM 644 CA SER A 43 -4.478 1.991 15.358 1.00 41.24 C ATOM 645 C SER A 43 -3.490 1.885 16.511 1.00 41.24 C ATOM 646 O SER A 43 -2.716 2.806 16.773 1.00 41.24 O ATOM 647 CB SER A 43 -5.875 2.315 15.888 1.00 41.24 C ATOM 648 OG SER A 43 -6.821 2.378 14.834 1.00 41.24 O ATOM 0 H SER A 43 -5.366 0.236 14.653 1.00 41.24 H new ATOM 0 HA SER A 43 -4.172 2.799 14.693 1.00 41.24 H new ATOM 0 HB2 SER A 43 -6.179 1.555 16.608 1.00 41.24 H new ATOM 0 HB3 SER A 43 -5.854 3.267 16.419 1.00 41.24 H new ATOM 0 HG SER A 43 -7.706 2.585 15.201 1.00 41.24 H new ATOM 654 N ALA A 44 -3.524 0.738 17.196 1.00 31.60 N ATOM 655 CA ALA A 44 -2.630 0.491 18.327 1.00 31.60 C ATOM 656 C ALA A 44 -1.179 0.494 17.884 1.00 31.60 C ATOM 657 O ALA A 44 -0.287 0.906 18.625 1.00 31.60 O ATOM 658 CB ALA A 44 -2.952 -0.840 18.983 1.00 31.60 C ATOM 0 H ALA A 44 -4.160 -0.031 16.986 1.00 31.60 H new ATOM 0 HA ALA A 44 -2.782 1.294 19.048 1.00 31.60 H new ATOM 0 HB1 ALA A 44 -2.276 -1.005 19.822 1.00 31.60 H new ATOM 0 HB2 ALA A 44 -3.981 -0.829 19.343 1.00 31.60 H new ATOM 0 HB3 ALA A 44 -2.831 -1.643 18.256 1.00 31.60 H new ATOM 664 N TRP A 45 -0.955 0.030 16.667 1.00 71.86 N ATOM 665 CA TRP A 45 0.381 -0.030 16.108 1.00 71.86 C ATOM 666 C TRP A 45 0.799 1.332 15.634 1.00 71.86 C ATOM 667 O TRP A 45 1.829 1.852 16.052 1.00 71.86 O ATOM 668 CB TRP A 45 0.416 -0.998 14.942 1.00 71.86 C ATOM 669 CG TRP A 45 1.786 -1.217 14.405 1.00 71.86 C ATOM 670 CD1 TRP A 45 2.958 -1.272 15.105 1.00 71.86 C ATOM 671 CD2 TRP A 45 2.120 -1.406 13.040 1.00 71.86 C ATOM 672 NE1 TRP A 45 4.002 -1.479 14.241 1.00 71.86 N ATOM 673 CE2 TRP A 45 3.511 -1.561 12.967 1.00 71.86 C ATOM 674 CE3 TRP A 45 1.371 -1.456 11.871 1.00 71.86 C ATOM 675 CZ2 TRP A 45 4.171 -1.760 11.768 1.00 71.86 C ATOM 676 CZ3 TRP A 45 2.021 -1.661 10.679 1.00 71.86 C ATOM 677 CH2 TRP A 45 3.416 -1.811 10.628 1.00 71.86 C ATOM 0 H TRP A 45 -1.687 -0.312 16.045 1.00 71.86 H new ATOM 0 HA TRP A 45 1.068 -0.373 16.882 1.00 71.86 H new ATOM 0 HB2 TRP A 45 -0.000 -1.954 15.259 1.00 71.86 H new ATOM 0 HB3 TRP A 45 -0.224 -0.620 14.145 1.00 71.86 H new ATOM 0 HD1 TRP A 45 3.048 -1.168 16.176 1.00 71.86 H new ATOM 0 HE1 TRP A 45 4.984 -1.559 14.505 1.00 71.86 H new ATOM 0 HE3 TRP A 45 0.298 -1.336 11.899 1.00 71.86 H new ATOM 0 HZ2 TRP A 45 5.245 -1.871 11.733 1.00 71.86 H new ATOM 0 HZ3 TRP A 45 1.449 -1.708 9.764 1.00 71.86 H new ATOM 0 HH2 TRP A 45 3.900 -1.969 9.676 1.00 71.86 H new ATOM 688 N PHE A 46 -0.016 1.930 14.771 1.00 81.71 N ATOM 689 CA PHE A 46 0.284 3.251 14.271 1.00 81.71 C ATOM 690 C PHE A 46 0.455 4.217 15.434 1.00 81.71 C ATOM 691 O PHE A 46 1.335 5.058 15.417 1.00 81.71 O ATOM 692 CB PHE A 46 -0.829 3.740 13.357 1.00 81.71 C ATOM 693 CG PHE A 46 -0.945 2.976 12.073 1.00 81.71 C ATOM 694 CD1 PHE A 46 0.168 2.729 11.286 1.00 81.71 C ATOM 695 CD2 PHE A 46 -2.179 2.538 11.637 1.00 81.71 C ATOM 696 CE1 PHE A 46 0.045 2.060 10.081 1.00 81.71 C ATOM 697 CE2 PHE A 46 -2.307 1.868 10.439 1.00 81.71 C ATOM 698 CZ PHE A 46 -1.199 1.634 9.656 1.00 81.71 C ATOM 0 H PHE A 46 -0.878 1.520 14.411 1.00 81.71 H new ATOM 0 HA PHE A 46 1.211 3.204 13.700 1.00 81.71 H new ATOM 0 HB2 PHE A 46 -1.777 3.678 13.891 1.00 81.71 H new ATOM 0 HB3 PHE A 46 -0.660 4.792 13.128 1.00 81.71 H new ATOM 0 HD1 PHE A 46 1.141 3.062 11.616 1.00 81.71 H new ATOM 0 HD2 PHE A 46 -3.055 2.722 12.242 1.00 81.71 H new ATOM 0 HE1 PHE A 46 0.919 1.871 9.475 1.00 81.71 H new ATOM 0 HE2 PHE A 46 -3.278 1.526 10.114 1.00 81.71 H new ATOM 0 HZ PHE A 46 -1.302 1.119 8.712 1.00 81.71 H new ATOM 708 N SER A 47 -0.382 4.072 16.459 1.00 81.62 N ATOM 709 CA SER A 47 -0.278 4.936 17.630 1.00 81.62 C ATOM 710 C SER A 47 1.053 4.724 18.328 1.00 81.62 C ATOM 711 O SER A 47 1.722 5.688 18.697 1.00 81.62 O ATOM 712 CB SER A 47 -1.439 4.695 18.596 1.00 81.62 C ATOM 713 OG SER A 47 -2.683 4.977 17.980 1.00 81.62 O ATOM 0 H SER A 47 -1.127 3.377 16.503 1.00 81.62 H new ATOM 0 HA SER A 47 -0.332 5.971 17.294 1.00 81.62 H new ATOM 0 HB2 SER A 47 -1.424 3.659 18.935 1.00 81.62 H new ATOM 0 HB3 SER A 47 -1.317 5.322 19.479 1.00 81.62 H new ATOM 0 HG SER A 47 -3.102 4.140 17.690 1.00 81.62 H new ATOM 719 N PHE A 48 1.471 3.466 18.464 1.00 49.76 N ATOM 720 CA PHE A 48 2.758 3.177 19.065 1.00 49.76 C ATOM 721 C PHE A 48 3.839 3.739 18.139 1.00 49.76 C ATOM 722 O PHE A 48 4.745 4.454 18.566 1.00 49.76 O ATOM 723 CB PHE A 48 2.927 1.663 19.273 1.00 49.76 C ATOM 724 CG PHE A 48 4.357 1.245 19.235 1.00 49.76 C ATOM 725 CD1 PHE A 48 5.135 1.259 20.372 1.00 49.76 C ATOM 726 CD2 PHE A 48 4.925 0.912 18.032 1.00 49.76 C ATOM 727 CE1 PHE A 48 6.475 0.941 20.308 1.00 49.76 C ATOM 728 CE2 PHE A 48 6.257 0.585 17.952 1.00 49.76 C ATOM 729 CZ PHE A 48 7.041 0.602 19.093 1.00 49.76 C ATOM 0 H PHE A 48 0.941 2.646 18.169 1.00 49.76 H new ATOM 0 HA PHE A 48 2.838 3.642 20.048 1.00 49.76 H new ATOM 0 HB2 PHE A 48 2.493 1.379 20.232 1.00 49.76 H new ATOM 0 HB3 PHE A 48 2.373 1.128 18.501 1.00 49.76 H new ATOM 0 HD1 PHE A 48 4.692 1.521 21.321 1.00 49.76 H new ATOM 0 HD2 PHE A 48 4.319 0.907 17.138 1.00 49.76 H new ATOM 0 HE1 PHE A 48 7.080 0.957 21.203 1.00 49.76 H new ATOM 0 HE2 PHE A 48 6.692 0.315 17.001 1.00 49.76 H new ATOM 0 HZ PHE A 48 8.090 0.352 19.034 1.00 49.76 H new ATOM 739 N LEU A 49 3.697 3.412 16.856 1.00 52.14 N ATOM 740 CA LEU A 49 4.611 3.870 15.819 1.00 52.14 C ATOM 741 C LEU A 49 4.714 5.398 15.869 1.00 52.14 C ATOM 742 O LEU A 49 5.805 5.965 15.837 1.00 52.14 O ATOM 743 CB LEU A 49 4.085 3.399 14.453 1.00 52.14 C ATOM 744 CG LEU A 49 4.900 2.303 13.754 1.00 52.14 C ATOM 745 CD1 LEU A 49 5.244 1.181 14.723 1.00 52.14 C ATOM 746 CD2 LEU A 49 4.128 1.752 12.566 1.00 52.14 C ATOM 0 H LEU A 49 2.942 2.820 16.509 1.00 52.14 H new ATOM 0 HA LEU A 49 5.606 3.455 15.977 1.00 52.14 H new ATOM 0 HB2 LEU A 49 3.066 3.036 14.585 1.00 52.14 H new ATOM 0 HB3 LEU A 49 4.033 4.262 13.790 1.00 52.14 H new ATOM 0 HG LEU A 49 5.831 2.744 13.398 1.00 52.14 H new ATOM 0 HD11 LEU A 49 5.822 0.416 14.204 1.00 52.14 H new ATOM 0 HD12 LEU A 49 5.832 1.581 15.549 1.00 52.14 H new ATOM 0 HD13 LEU A 49 4.325 0.741 15.111 1.00 52.14 H new ATOM 0 HD21 LEU A 49 4.717 0.975 12.078 1.00 52.14 H new ATOM 0 HD22 LEU A 49 3.184 1.330 12.910 1.00 52.14 H new ATOM 0 HD23 LEU A 49 3.929 2.556 11.857 1.00 52.14 H new ATOM 758 N GLU A 50 3.553 6.045 15.991 1.00 63.10 N ATOM 759 CA GLU A 50 3.487 7.500 16.096 1.00 63.10 C ATOM 760 C GLU A 50 4.145 7.948 17.390 1.00 63.10 C ATOM 761 O GLU A 50 4.922 8.902 17.413 1.00 63.10 O ATOM 762 CB GLU A 50 2.036 7.993 16.066 1.00 63.10 C ATOM 763 CG GLU A 50 1.385 7.940 14.693 1.00 63.10 C ATOM 764 CD GLU A 50 -0.040 8.463 14.703 1.00 63.10 C ATOM 765 OE1 GLU A 50 -0.412 9.158 15.672 1.00 63.10 O ATOM 766 OE2 GLU A 50 -0.782 8.183 13.737 1.00 63.10 O ATOM 0 H GLU A 50 2.645 5.581 16.019 1.00 63.10 H new ATOM 0 HA GLU A 50 4.013 7.927 15.242 1.00 63.10 H new ATOM 0 HB2 GLU A 50 1.446 7.392 16.758 1.00 63.10 H new ATOM 0 HB3 GLU A 50 2.006 9.020 16.430 1.00 63.10 H new ATOM 0 HG2 GLU A 50 1.978 8.526 13.991 1.00 63.10 H new ATOM 0 HG3 GLU A 50 1.388 6.911 14.333 1.00 63.10 H new ATOM 773 N SER A 51 3.834 7.228 18.465 1.00 75.02 N ATOM 774 CA SER A 51 4.403 7.522 19.777 1.00 75.02 C ATOM 775 C SER A 51 5.923 7.422 19.728 1.00 75.02 C ATOM 776 O SER A 51 6.629 8.097 20.478 1.00 75.02 O ATOM 777 CB SER A 51 3.850 6.561 20.831 1.00 75.02 C ATOM 778 OG SER A 51 2.437 6.616 20.885 1.00 75.02 O ATOM 0 H SER A 51 3.191 6.436 18.453 1.00 75.02 H new ATOM 0 HA SER A 51 4.123 8.539 20.052 1.00 75.02 H new ATOM 0 HB2 SER A 51 4.168 5.544 20.602 1.00 75.02 H new ATOM 0 HB3 SER A 51 4.264 6.812 21.808 1.00 75.02 H new ATOM 0 HG SER A 51 2.061 5.871 20.371 1.00 75.02 H new ATOM 784 N HIS A 52 6.420 6.575 18.831 1.00122.90 N ATOM 785 CA HIS A 52 7.849 6.381 18.663 1.00122.90 C ATOM 786 C HIS A 52 8.324 7.080 17.395 1.00122.90 C ATOM 787 O HIS A 52 7.547 7.761 16.728 1.00122.90 O ATOM 788 CB HIS A 52 8.170 4.889 18.586 1.00122.90 C ATOM 789 CG HIS A 52 8.021 4.191 19.891 1.00122.90 C ATOM 790 ND1 HIS A 52 9.052 3.540 20.534 1.00122.90 N ATOM 791 CD2 HIS A 52 6.940 4.053 20.675 1.00122.90 C ATOM 792 CE1 HIS A 52 8.604 3.030 21.667 1.00122.90 C ATOM 793 NE2 HIS A 52 7.320 3.327 21.777 1.00122.90 N ATOM 0 H HIS A 52 5.845 6.010 18.206 1.00122.90 H new ATOM 0 HA HIS A 52 8.366 6.811 19.521 1.00122.90 H new ATOM 0 HB2 HIS A 52 7.514 4.420 17.853 1.00122.90 H new ATOM 0 HB3 HIS A 52 9.191 4.761 18.227 1.00122.90 H new ATOM 0 HD2 HIS A 52 5.952 4.442 20.476 1.00122.90 H new ATOM 0 HE1 HIS A 52 9.186 2.467 22.381 1.00122.90 H new ATOM 0 HE2 HIS A 52 6.713 3.061 22.552 1.00122.90 H new ATOM 801 N ASN A 53 9.596 6.903 17.060 1.00225.56 N ATOM 802 CA ASN A 53 10.161 7.514 15.862 1.00225.56 C ATOM 803 C ASN A 53 10.062 6.576 14.661 1.00225.56 C ATOM 804 O ASN A 53 10.934 6.574 13.794 1.00225.56 O ATOM 805 CB ASN A 53 11.621 7.900 16.099 1.00225.56 C ATOM 806 CG ASN A 53 11.773 8.956 17.175 1.00225.56 C ATOM 807 OD1 ASN A 53 10.882 9.779 17.384 1.00225.56 O ATOM 808 ND2 ASN A 53 12.906 8.936 17.867 1.00225.56 N ATOM 0 H ASN A 53 10.256 6.342 17.600 1.00225.56 H new ATOM 0 HA ASN A 53 9.583 8.412 15.644 1.00225.56 H new ATOM 0 HB2 ASN A 53 12.187 7.013 16.382 1.00225.56 H new ATOM 0 HB3 ASN A 53 12.052 8.269 15.168 1.00225.56 H new ATOM 0 HD21 ASN A 53 13.065 9.621 18.606 1.00225.56 H new ATOM 0 HD22 ASN A 53 13.618 8.235 17.660 1.00225.56 H new ATOM 815 N LYS A 54 9.005 5.773 14.620 1.00217.59 N ATOM 816 CA LYS A 54 8.811 4.828 13.532 1.00217.59 C ATOM 817 C LYS A 54 7.802 5.329 12.507 1.00217.59 C ATOM 818 O LYS A 54 7.729 4.790 11.403 1.00217.59 O ATOM 819 CB LYS A 54 8.309 3.500 14.084 1.00217.59 C ATOM 820 CG LYS A 54 9.225 2.881 15.124 1.00217.59 C ATOM 821 CD LYS A 54 10.612 2.618 14.560 1.00217.59 C ATOM 822 CE LYS A 54 10.563 1.678 13.366 1.00217.59 C ATOM 823 NZ LYS A 54 11.869 0.996 13.144 1.00217.59 N ATOM 0 H LYS A 54 8.271 5.759 15.328 1.00217.59 H new ATOM 0 HA LYS A 54 9.776 4.708 13.040 1.00217.59 H new ATOM 0 HB2 LYS A 54 7.324 3.650 14.525 1.00217.59 H new ATOM 0 HB3 LYS A 54 8.185 2.798 13.259 1.00217.59 H new ATOM 0 HG2 LYS A 54 9.301 3.545 15.985 1.00217.59 H new ATOM 0 HG3 LYS A 54 8.793 1.946 15.480 1.00217.59 H new ATOM 0 HD2 LYS A 54 11.069 3.562 14.262 1.00217.59 H new ATOM 0 HD3 LYS A 54 11.245 2.188 15.336 1.00217.59 H new ATOM 0 HE2 LYS A 54 9.785 0.931 13.523 1.00217.59 H new ATOM 0 HE3 LYS A 54 10.290 2.239 12.473 1.00217.59 H new ATOM 0 HZ1 LYS A 54 11.795 0.364 12.321 1.00217.59 H new ATOM 0 HZ2 LYS A 54 12.607 1.708 12.969 1.00217.59 H new ATOM 0 HZ3 LYS A 54 12.118 0.440 13.987 1.00217.59 H new ATOM 837 N LEU A 55 7.011 6.341 12.854 1.00 97.75 N ATOM 838 CA LEU A 55 6.013 6.834 11.912 1.00 97.75 C ATOM 839 C LEU A 55 5.548 8.253 12.198 1.00 97.75 C ATOM 840 O LEU A 55 4.762 8.507 13.112 1.00 97.75 O ATOM 841 CB LEU A 55 4.815 5.905 11.910 1.00 97.75 C ATOM 842 CG LEU A 55 3.694 6.297 10.955 1.00 97.75 C ATOM 843 CD1 LEU A 55 2.984 5.062 10.420 1.00 97.75 C ATOM 844 CD2 LEU A 55 2.715 7.213 11.670 1.00 97.75 C ATOM 0 H LEU A 55 7.039 6.823 13.753 1.00 97.75 H new ATOM 0 HA LEU A 55 6.496 6.855 10.935 1.00 97.75 H new ATOM 0 HB2 LEU A 55 5.154 4.901 11.655 1.00 97.75 H new ATOM 0 HB3 LEU A 55 4.410 5.858 12.921 1.00 97.75 H new ATOM 0 HG LEU A 55 4.122 6.828 10.105 1.00 97.75 H new ATOM 0 HD11 LEU A 55 2.188 5.366 9.740 1.00 97.75 H new ATOM 0 HD12 LEU A 55 3.698 4.435 9.885 1.00 97.75 H new ATOM 0 HD13 LEU A 55 2.557 4.499 11.250 1.00 97.75 H new ATOM 0 HD21 LEU A 55 1.913 7.493 10.987 1.00 97.75 H new ATOM 0 HD22 LEU A 55 2.293 6.694 12.531 1.00 97.75 H new ATOM 0 HD23 LEU A 55 3.235 8.110 12.006 1.00 97.75 H new ATOM 856 N ASP A 56 6.009 9.155 11.352 1.00109.16 N ATOM 857 CA ASP A 56 5.630 10.560 11.412 1.00109.16 C ATOM 858 C ASP A 56 4.301 10.761 10.692 1.00109.16 C ATOM 859 O ASP A 56 3.719 9.803 10.197 1.00109.16 O ATOM 860 CB ASP A 56 6.714 11.442 10.788 1.00109.16 C ATOM 861 CG ASP A 56 8.031 11.353 11.535 1.00109.16 C ATOM 862 OD1 ASP A 56 8.013 10.961 12.722 1.00109.16 O ATOM 863 OD2 ASP A 56 9.078 11.670 10.934 1.00109.16 O ATOM 0 H ASP A 56 6.661 8.936 10.599 1.00109.16 H new ATOM 0 HA ASP A 56 5.520 10.851 12.457 1.00109.16 H new ATOM 0 HB2 ASP A 56 6.867 11.146 9.750 1.00109.16 H new ATOM 0 HB3 ASP A 56 6.375 12.478 10.777 1.00109.16 H new ATOM 868 N LYS A 57 3.844 12.003 10.601 1.00 65.03 N ATOM 869 CA LYS A 57 2.593 12.305 9.899 1.00 65.03 C ATOM 870 C LYS A 57 2.773 12.177 8.378 1.00 65.03 C ATOM 871 O LYS A 57 1.794 12.084 7.636 1.00 65.03 O ATOM 872 CB LYS A 57 2.073 13.701 10.292 1.00 65.03 C ATOM 873 CG LYS A 57 2.718 14.852 9.541 1.00 65.03 C ATOM 874 CD LYS A 57 4.216 14.870 9.748 1.00 65.03 C ATOM 875 CE LYS A 57 4.869 16.024 9.000 1.00 65.03 C ATOM 876 NZ LYS A 57 6.185 16.397 9.586 1.00 65.03 N ATOM 0 H LYS A 57 4.313 12.816 11.000 1.00 65.03 H new ATOM 0 HA LYS A 57 1.843 11.574 10.202 1.00 65.03 H new ATOM 0 HB2 LYS A 57 0.996 13.733 10.124 1.00 65.03 H new ATOM 0 HB3 LYS A 57 2.234 13.846 11.360 1.00 65.03 H new ATOM 0 HG2 LYS A 57 2.496 14.765 8.477 1.00 65.03 H new ATOM 0 HG3 LYS A 57 2.290 15.796 9.880 1.00 65.03 H new ATOM 0 HD2 LYS A 57 4.436 14.954 10.812 1.00 65.03 H new ATOM 0 HD3 LYS A 57 4.643 13.927 9.408 1.00 65.03 H new ATOM 0 HE2 LYS A 57 5.003 15.748 7.954 1.00 65.03 H new ATOM 0 HE3 LYS A 57 4.206 16.889 9.019 1.00 65.03 H new ATOM 0 HZ1 LYS A 57 6.594 17.186 9.046 1.00 65.03 H new ATOM 0 HZ2 LYS A 57 6.055 16.686 10.577 1.00 65.03 H new ATOM 0 HZ3 LYS A 57 6.827 15.580 9.545 1.00 65.03 H new ATOM 890 N ASP A 58 4.027 12.169 7.923 1.00165.72 N ATOM 891 CA ASP A 58 4.335 12.046 6.504 1.00165.72 C ATOM 892 C ASP A 58 5.238 10.837 6.229 1.00165.72 C ATOM 893 O ASP A 58 5.347 10.389 5.088 1.00165.72 O ATOM 894 CB ASP A 58 5.011 13.324 5.999 1.00165.72 C ATOM 895 CG ASP A 58 5.166 13.349 4.489 1.00165.72 C ATOM 896 OD1 ASP A 58 4.668 12.417 3.821 1.00165.72 O ATOM 897 OD2 ASP A 58 5.788 14.302 3.974 1.00165.72 O ATOM 0 H ASP A 58 4.848 12.247 8.524 1.00165.72 H new ATOM 0 HA ASP A 58 3.396 11.896 5.971 1.00165.72 H new ATOM 0 HB2 ASP A 58 4.426 14.188 6.314 1.00165.72 H new ATOM 0 HB3 ASP A 58 5.993 13.418 6.462 1.00165.72 H new ATOM 902 N ASN A 59 5.892 10.311 7.271 1.00 98.89 N ATOM 903 CA ASN A 59 6.783 9.163 7.104 1.00 98.89 C ATOM 904 C ASN A 59 6.042 7.851 7.302 1.00 98.89 C ATOM 905 O ASN A 59 5.607 7.515 8.405 1.00 98.89 O ATOM 906 CB ASN A 59 7.967 9.253 8.068 1.00 98.89 C ATOM 907 CG ASN A 59 8.943 10.347 7.682 1.00 98.89 C ATOM 908 OD1 ASN A 59 10.089 10.075 7.326 1.00 98.89 O ATOM 909 ND2 ASN A 59 8.493 11.596 7.747 1.00 98.89 N ATOM 0 H ASN A 59 5.821 10.659 8.227 1.00 98.89 H new ATOM 0 HA ASN A 59 7.160 9.186 6.082 1.00 98.89 H new ATOM 0 HB2 ASN A 59 7.598 9.438 9.077 1.00 98.89 H new ATOM 0 HB3 ASN A 59 8.488 8.296 8.090 1.00 98.89 H new ATOM 0 HD21 ASN A 59 9.105 12.372 7.496 1.00 98.89 H new ATOM 0 HD22 ASN A 59 7.535 11.778 8.047 1.00 98.89 H new ATOM 916 N LEU A 60 5.926 7.114 6.208 1.00196.24 N ATOM 917 CA LEU A 60 5.264 5.817 6.196 1.00196.24 C ATOM 918 C LEU A 60 6.139 4.769 5.502 1.00196.24 C ATOM 919 O LEU A 60 5.684 3.660 5.227 1.00196.24 O ATOM 920 CB LEU A 60 3.927 5.919 5.463 1.00196.24 C ATOM 921 CG LEU A 60 3.948 6.815 4.215 1.00196.24 C ATOM 922 CD1 LEU A 60 3.379 6.085 3.008 1.00196.24 C ATOM 923 CD2 LEU A 60 3.186 8.104 4.475 1.00196.24 C ATOM 0 H LEU A 60 6.290 7.399 5.299 1.00196.24 H new ATOM 0 HA LEU A 60 5.095 5.512 7.229 1.00196.24 H new ATOM 0 HB2 LEU A 60 3.611 4.918 5.170 1.00196.24 H new ATOM 0 HB3 LEU A 60 3.176 6.300 6.155 1.00196.24 H new ATOM 0 HG LEU A 60 4.985 7.066 3.994 1.00196.24 H new ATOM 0 HD11 LEU A 60 3.406 6.743 2.139 1.00196.24 H new ATOM 0 HD12 LEU A 60 3.974 5.194 2.808 1.00196.24 H new ATOM 0 HD13 LEU A 60 2.348 5.794 3.211 1.00196.24 H new ATOM 0 HD21 LEU A 60 3.210 8.728 3.581 1.00196.24 H new ATOM 0 HD22 LEU A 60 2.151 7.871 4.727 1.00196.24 H new ATOM 0 HD23 LEU A 60 3.649 8.640 5.304 1.00196.24 H new ATOM 935 N SER A 61 7.387 5.130 5.192 1.00 66.14 N ATOM 936 CA SER A 61 8.287 4.217 4.500 1.00 66.14 C ATOM 937 C SER A 61 8.474 2.903 5.257 1.00 66.14 C ATOM 938 O SER A 61 8.566 1.839 4.643 1.00 66.14 O ATOM 939 CB SER A 61 9.641 4.888 4.265 1.00 66.14 C ATOM 940 OG SER A 61 10.275 5.208 5.492 1.00 66.14 O ATOM 0 H SER A 61 7.790 6.041 5.409 1.00 66.14 H new ATOM 0 HA SER A 61 7.829 3.976 3.541 1.00 66.14 H new ATOM 0 HB2 SER A 61 10.282 4.225 3.684 1.00 66.14 H new ATOM 0 HB3 SER A 61 9.503 5.795 3.677 1.00 66.14 H new ATOM 0 HG SER A 61 11.139 5.634 5.312 1.00 66.14 H new ATOM 946 N TYR A 62 8.531 2.971 6.580 1.00 59.69 N ATOM 947 CA TYR A 62 8.705 1.771 7.386 1.00 59.69 C ATOM 948 C TYR A 62 7.446 0.912 7.363 1.00 59.69 C ATOM 949 O TYR A 62 7.530 -0.302 7.254 1.00 59.69 O ATOM 950 CB TYR A 62 9.099 2.152 8.834 1.00 59.69 C ATOM 951 CG TYR A 62 8.640 1.169 9.903 1.00 59.69 C ATOM 952 CD1 TYR A 62 8.953 -0.183 9.830 1.00 59.69 C ATOM 953 CD2 TYR A 62 7.861 1.600 10.965 1.00 59.69 C ATOM 954 CE1 TYR A 62 8.505 -1.071 10.788 1.00 59.69 C ATOM 955 CE2 TYR A 62 7.415 0.722 11.928 1.00 59.69 C ATOM 956 CZ TYR A 62 7.738 -0.614 11.836 1.00 59.69 C ATOM 957 OH TYR A 62 7.291 -1.496 12.794 1.00 59.69 O ATOM 0 H TYR A 62 8.460 3.837 7.114 1.00 59.69 H new ATOM 0 HA TYR A 62 9.513 1.178 6.957 1.00 59.69 H new ATOM 0 HB2 TYR A 62 10.184 2.244 8.888 1.00 59.69 H new ATOM 0 HB3 TYR A 62 8.684 3.134 9.062 1.00 59.69 H new ATOM 0 HD1 TYR A 62 9.556 -0.545 9.011 1.00 59.69 H new ATOM 0 HD2 TYR A 62 7.598 2.645 11.039 1.00 59.69 H new ATOM 0 HE1 TYR A 62 8.755 -2.119 10.715 1.00 59.69 H new ATOM 0 HE2 TYR A 62 6.815 1.079 12.752 1.00 59.69 H new ATOM 0 HH TYR A 62 7.030 -2.338 12.367 1.00 59.69 H new ATOM 967 N ILE A 63 6.292 1.545 7.495 1.00 95.89 N ATOM 968 CA ILE A 63 5.028 0.825 7.520 1.00 95.89 C ATOM 969 C ILE A 63 4.693 0.297 6.145 1.00 95.89 C ATOM 970 O ILE A 63 4.347 -0.873 5.978 1.00 95.89 O ATOM 971 CB ILE A 63 3.883 1.710 8.073 1.00 95.89 C ATOM 972 CG1 ILE A 63 3.301 2.663 7.023 1.00 95.89 C ATOM 973 CG2 ILE A 63 4.370 2.518 9.269 1.00 95.89 C ATOM 974 CD1 ILE A 63 2.101 3.417 7.537 1.00 95.89 C ATOM 0 H ILE A 63 6.204 2.557 7.587 1.00 95.89 H new ATOM 0 HA ILE A 63 5.137 -0.023 8.196 1.00 95.89 H new ATOM 0 HB ILE A 63 3.087 1.029 8.374 1.00 95.89 H new ATOM 0 HG12 ILE A 63 4.069 3.373 6.715 1.00 95.89 H new ATOM 0 HG13 ILE A 63 3.018 2.095 6.137 1.00 95.89 H new ATOM 0 HG21 ILE A 63 3.555 3.135 9.647 1.00 95.89 H new ATOM 0 HG22 ILE A 63 4.706 1.840 10.054 1.00 95.89 H new ATOM 0 HG23 ILE A 63 5.198 3.158 8.963 1.00 95.89 H new ATOM 0 HD11 ILE A 63 1.725 4.079 6.756 1.00 95.89 H new ATOM 0 HD12 ILE A 63 1.321 2.710 7.820 1.00 95.89 H new ATOM 0 HD13 ILE A 63 2.388 4.008 8.407 1.00 95.89 H new ATOM 986 N GLU A 64 4.841 1.161 5.155 1.00 77.41 N ATOM 987 CA GLU A 64 4.600 0.781 3.771 1.00 77.41 C ATOM 988 C GLU A 64 5.408 -0.473 3.445 1.00 77.41 C ATOM 989 O GLU A 64 4.988 -1.312 2.650 1.00 77.41 O ATOM 990 CB GLU A 64 4.988 1.923 2.832 1.00 77.41 C ATOM 991 CG GLU A 64 4.703 1.630 1.368 1.00 77.41 C ATOM 992 CD GLU A 64 5.192 2.731 0.448 1.00 77.41 C ATOM 993 OE1 GLU A 64 4.592 3.826 0.460 1.00 77.41 O ATOM 994 OE2 GLU A 64 6.173 2.496 -0.289 1.00 77.41 O ATOM 0 H GLU A 64 5.127 2.132 5.283 1.00 77.41 H new ATOM 0 HA GLU A 64 3.539 0.572 3.633 1.00 77.41 H new ATOM 0 HB2 GLU A 64 4.448 2.823 3.126 1.00 77.41 H new ATOM 0 HB3 GLU A 64 6.050 2.135 2.951 1.00 77.41 H new ATOM 0 HG2 GLU A 64 5.180 0.690 1.090 1.00 77.41 H new ATOM 0 HG3 GLU A 64 3.630 1.496 1.230 1.00 77.41 H new ATOM 1001 N HIS A 65 6.559 -0.604 4.109 1.00 68.54 N ATOM 1002 CA HIS A 65 7.409 -1.773 3.935 1.00 68.54 C ATOM 1003 C HIS A 65 6.738 -2.986 4.545 1.00 68.54 C ATOM 1004 O HIS A 65 6.713 -4.058 3.948 1.00 68.54 O ATOM 1005 CB HIS A 65 8.788 -1.522 4.563 1.00 68.54 C ATOM 1006 CG HIS A 65 9.647 -2.743 4.707 1.00 68.54 C ATOM 1007 ND1 HIS A 65 10.369 -3.299 3.672 1.00 68.54 N ATOM 1008 CD2 HIS A 65 9.890 -3.516 5.790 1.00 68.54 C ATOM 1009 CE1 HIS A 65 11.020 -4.362 4.114 1.00 68.54 C ATOM 1010 NE2 HIS A 65 10.744 -4.514 5.397 1.00 68.54 N ATOM 0 H HIS A 65 6.919 0.085 4.769 1.00 68.54 H new ATOM 0 HA HIS A 65 7.556 -1.962 2.872 1.00 68.54 H new ATOM 0 HB2 HIS A 65 9.320 -0.790 3.955 1.00 68.54 H new ATOM 0 HB3 HIS A 65 8.647 -1.076 5.548 1.00 68.54 H new ATOM 0 HD2 HIS A 65 9.486 -3.373 6.781 1.00 68.54 H new ATOM 0 HE1 HIS A 65 11.667 -4.997 3.527 1.00 68.54 H new ATOM 0 HE2 HIS A 65 11.107 -5.254 5.998 1.00 68.54 H new ATOM 1018 N ILE A 66 6.182 -2.797 5.737 1.00 44.28 N ATOM 1019 CA ILE A 66 5.491 -3.865 6.444 1.00 44.28 C ATOM 1020 C ILE A 66 4.366 -4.402 5.588 1.00 44.28 C ATOM 1021 O ILE A 66 4.255 -5.605 5.354 1.00 44.28 O ATOM 1022 CB ILE A 66 4.930 -3.345 7.780 1.00 44.28 C ATOM 1023 CG1 ILE A 66 6.073 -2.758 8.606 1.00 44.28 C ATOM 1024 CG2 ILE A 66 4.193 -4.437 8.548 1.00 44.28 C ATOM 1025 CD1 ILE A 66 7.250 -3.677 8.771 1.00 44.28 C ATOM 0 H ILE A 66 6.198 -1.907 6.235 1.00 44.28 H new ATOM 0 HA ILE A 66 6.200 -4.667 6.650 1.00 44.28 H new ATOM 0 HB ILE A 66 4.197 -2.565 7.574 1.00 44.28 H new ATOM 0 HG12 ILE A 66 6.410 -1.835 8.134 1.00 44.28 H new ATOM 0 HG13 ILE A 66 5.694 -2.491 9.592 1.00 44.28 H new ATOM 0 HG21 ILE A 66 3.813 -4.030 9.485 1.00 44.28 H new ATOM 0 HG22 ILE A 66 3.361 -4.806 7.948 1.00 44.28 H new ATOM 0 HG23 ILE A 66 4.878 -5.258 8.761 1.00 44.28 H new ATOM 0 HD11 ILE A 66 8.016 -3.184 9.369 1.00 44.28 H new ATOM 0 HD12 ILE A 66 6.931 -4.591 9.272 1.00 44.28 H new ATOM 0 HD13 ILE A 66 7.659 -3.924 7.791 1.00 44.28 H new ATOM 1037 N PHE A 67 3.554 -3.484 5.096 1.00103.95 N ATOM 1038 CA PHE A 67 2.452 -3.844 4.231 1.00103.95 C ATOM 1039 C PHE A 67 2.989 -4.484 2.947 1.00103.95 C ATOM 1040 O PHE A 67 2.361 -5.377 2.379 1.00103.95 O ATOM 1041 CB PHE A 67 1.614 -2.610 3.932 1.00103.95 C ATOM 1042 CG PHE A 67 1.150 -1.945 5.188 1.00103.95 C ATOM 1043 CD1 PHE A 67 0.467 -2.669 6.149 1.00103.95 C ATOM 1044 CD2 PHE A 67 1.421 -0.610 5.423 1.00103.95 C ATOM 1045 CE1 PHE A 67 0.058 -2.072 7.323 1.00103.95 C ATOM 1046 CE2 PHE A 67 1.020 -0.007 6.598 1.00103.95 C ATOM 1047 CZ PHE A 67 0.337 -0.742 7.549 1.00103.95 C ATOM 0 H PHE A 67 3.639 -2.485 5.282 1.00103.95 H new ATOM 0 HA PHE A 67 1.813 -4.574 4.728 1.00103.95 H new ATOM 0 HB2 PHE A 67 2.200 -1.906 3.341 1.00103.95 H new ATOM 0 HB3 PHE A 67 0.751 -2.892 3.328 1.00103.95 H new ATOM 0 HD1 PHE A 67 0.252 -3.713 5.978 1.00103.95 H new ATOM 0 HD2 PHE A 67 1.952 -0.033 4.680 1.00103.95 H new ATOM 0 HE1 PHE A 67 -0.480 -2.646 8.063 1.00103.95 H new ATOM 0 HE2 PHE A 67 1.239 1.036 6.774 1.00103.95 H new ATOM 0 HZ PHE A 67 0.022 -0.273 8.470 1.00103.95 H new ATOM 1057 N GLU A 68 4.174 -4.030 2.504 1.00 76.40 N ATOM 1058 CA GLU A 68 4.800 -4.578 1.301 1.00 76.40 C ATOM 1059 C GLU A 68 5.295 -5.996 1.547 1.00 76.40 C ATOM 1060 O GLU A 68 4.959 -6.917 0.803 1.00 76.40 O ATOM 1061 CB GLU A 68 5.971 -3.696 0.853 1.00 76.40 C ATOM 1062 CG GLU A 68 6.678 -4.213 -0.392 1.00 76.40 C ATOM 1063 CD GLU A 68 7.907 -3.399 -0.759 1.00 76.40 C ATOM 1064 OE1 GLU A 68 8.199 -2.408 -0.056 1.00 76.40 O ATOM 1065 OE2 GLU A 68 8.577 -3.755 -1.751 1.00 76.40 O ATOM 0 H GLU A 68 4.709 -3.291 2.960 1.00 76.40 H new ATOM 0 HA GLU A 68 4.047 -4.599 0.513 1.00 76.40 H new ATOM 0 HB2 GLU A 68 5.604 -2.688 0.661 1.00 76.40 H new ATOM 0 HB3 GLU A 68 6.692 -3.622 1.667 1.00 76.40 H new ATOM 0 HG2 GLU A 68 6.971 -5.251 -0.232 1.00 76.40 H new ATOM 0 HG3 GLU A 68 5.980 -4.204 -1.229 1.00 76.40 H new ATOM 1072 N ILE A 69 6.089 -6.172 2.597 1.00 33.63 N ATOM 1073 CA ILE A 69 6.610 -7.487 2.924 1.00 33.63 C ATOM 1074 C ILE A 69 5.480 -8.422 3.322 1.00 33.63 C ATOM 1075 O ILE A 69 5.520 -9.621 3.047 1.00 33.63 O ATOM 1076 CB ILE A 69 7.651 -7.422 4.041 1.00 33.63 C ATOM 1077 CG1 ILE A 69 7.049 -6.834 5.320 1.00 33.63 C ATOM 1078 CG2 ILE A 69 8.866 -6.626 3.572 1.00 33.63 C ATOM 1079 CD1 ILE A 69 8.079 -6.566 6.395 1.00 33.63 C ATOM 0 H ILE A 69 6.382 -5.427 3.229 1.00 33.63 H new ATOM 0 HA ILE A 69 7.100 -7.875 2.031 1.00 33.63 H new ATOM 0 HB ILE A 69 7.978 -8.434 4.279 1.00 33.63 H new ATOM 0 HG12 ILE A 69 6.536 -5.903 5.078 1.00 33.63 H new ATOM 0 HG13 ILE A 69 6.297 -7.521 5.709 1.00 33.63 H new ATOM 0 HG21 ILE A 69 9.604 -6.583 4.373 1.00 33.63 H new ATOM 0 HG22 ILE A 69 9.304 -7.111 2.700 1.00 33.63 H new ATOM 0 HG23 ILE A 69 8.558 -5.614 3.308 1.00 33.63 H new ATOM 0 HD11 ILE A 69 7.587 -6.150 7.274 1.00 33.63 H new ATOM 0 HD12 ILE A 69 8.576 -7.498 6.664 1.00 33.63 H new ATOM 0 HD13 ILE A 69 8.817 -5.856 6.023 1.00 33.63 H new ATOM 1091 N SER A 70 4.459 -7.850 3.939 1.00 80.34 N ATOM 1092 CA SER A 70 3.287 -8.606 4.346 1.00 80.34 C ATOM 1093 C SER A 70 2.358 -8.771 3.147 1.00 80.34 C ATOM 1094 O SER A 70 2.359 -7.940 2.240 1.00 80.34 O ATOM 1095 CB SER A 70 2.554 -7.884 5.474 1.00 80.34 C ATOM 1096 OG SER A 70 1.800 -6.794 4.974 1.00 80.34 O ATOM 0 H SER A 70 4.419 -6.857 4.170 1.00 80.34 H new ATOM 0 HA SER A 70 3.599 -9.586 4.708 1.00 80.34 H new ATOM 0 HB2 SER A 70 1.894 -8.582 5.988 1.00 80.34 H new ATOM 0 HB3 SER A 70 3.274 -7.526 6.210 1.00 80.34 H new ATOM 0 HG SER A 70 2.113 -6.565 4.074 1.00 80.34 H new ATOM 1102 N ARG A 71 1.572 -9.840 3.132 1.00144.05 N ATOM 1103 CA ARG A 71 0.659 -10.085 2.022 1.00144.05 C ATOM 1104 C ARG A 71 -0.641 -9.307 2.179 1.00144.05 C ATOM 1105 O ARG A 71 -1.726 -9.888 2.256 1.00144.05 O ATOM 1106 CB ARG A 71 0.379 -11.577 1.870 1.00144.05 C ATOM 1107 CG ARG A 71 1.553 -12.342 1.288 1.00144.05 C ATOM 1108 CD ARG A 71 1.953 -11.787 -0.073 1.00144.05 C ATOM 1109 NE ARG A 71 2.538 -12.813 -0.935 1.00144.05 N ATOM 1110 CZ ARG A 71 3.697 -13.424 -0.692 1.00144.05 C ATOM 1111 NH1 ARG A 71 4.429 -13.094 0.366 1.00144.05 N ATOM 1112 NH2 ARG A 71 4.130 -14.367 -1.519 1.00144.05 N ATOM 0 H ARG A 71 1.547 -10.546 3.868 1.00144.05 H new ATOM 0 HA ARG A 71 1.147 -9.730 1.114 1.00144.05 H new ATOM 0 HB2 ARG A 71 0.127 -11.995 2.844 1.00144.05 H new ATOM 0 HB3 ARG A 71 -0.492 -11.715 1.229 1.00144.05 H new ATOM 0 HG2 ARG A 71 2.401 -12.285 1.970 1.00144.05 H new ATOM 0 HG3 ARG A 71 1.292 -13.396 1.191 1.00144.05 H new ATOM 0 HD2 ARG A 71 1.077 -11.360 -0.562 1.00144.05 H new ATOM 0 HD3 ARG A 71 2.669 -10.977 0.063 1.00144.05 H new ATOM 0 HE ARG A 71 2.026 -13.078 -1.776 1.00144.05 H new ATOM 0 HH11 ARG A 71 4.106 -12.366 1.003 1.00144.05 H new ATOM 0 HH12 ARG A 71 5.315 -13.569 0.542 1.00144.05 H new ATOM 0 HH21 ARG A 71 3.576 -14.622 -2.337 1.00144.05 H new ATOM 0 HH22 ARG A 71 5.017 -14.837 -1.337 1.00144.05 H new ATOM 1126 N ARG A 72 -0.524 -7.986 2.211 1.00183.66 N ATOM 1127 CA ARG A 72 -1.685 -7.117 2.343 1.00183.66 C ATOM 1128 C ARG A 72 -1.576 -5.936 1.371 1.00183.66 C ATOM 1129 O ARG A 72 -1.465 -4.781 1.788 1.00183.66 O ATOM 1130 CB ARG A 72 -1.814 -6.628 3.794 1.00183.66 C ATOM 1131 CG ARG A 72 -3.110 -7.054 4.463 1.00183.66 C ATOM 1132 CD ARG A 72 -3.099 -8.533 4.812 1.00183.66 C ATOM 1133 NE ARG A 72 -4.391 -9.160 4.542 1.00183.66 N ATOM 1134 CZ ARG A 72 -4.589 -10.478 4.495 1.00183.66 C ATOM 1135 NH1 ARG A 72 -3.579 -11.321 4.684 1.00183.66 N ATOM 1136 NH2 ARG A 72 -5.803 -10.955 4.254 1.00183.66 N ATOM 0 H ARG A 72 0.366 -7.492 2.147 1.00183.66 H new ATOM 0 HA ARG A 72 -2.584 -7.680 2.091 1.00183.66 H new ATOM 0 HB2 ARG A 72 -0.973 -7.008 4.374 1.00183.66 H new ATOM 0 HB3 ARG A 72 -1.746 -5.540 3.810 1.00183.66 H new ATOM 0 HG2 ARG A 72 -3.263 -6.467 5.369 1.00183.66 H new ATOM 0 HG3 ARG A 72 -3.949 -6.842 3.800 1.00183.66 H new ATOM 0 HD2 ARG A 72 -2.322 -9.037 4.237 1.00183.66 H new ATOM 0 HD3 ARG A 72 -2.847 -8.657 5.865 1.00183.66 H new ATOM 0 HE ARG A 72 -5.193 -8.551 4.379 1.00183.66 H new ATOM 0 HH11 ARG A 72 -2.642 -10.962 4.867 1.00183.66 H new ATOM 0 HH12 ARG A 72 -3.741 -12.327 4.646 1.00183.66 H new ATOM 0 HH21 ARG A 72 -6.582 -10.314 4.105 1.00183.66 H new ATOM 0 HH22 ARG A 72 -5.957 -11.963 4.218 1.00183.66 H new ATOM 1150 N PRO A 73 -1.598 -6.208 0.048 1.00130.67 N ATOM 1151 CA PRO A 73 -1.492 -5.159 -0.971 1.00130.67 C ATOM 1152 C PRO A 73 -2.611 -4.132 -0.874 1.00130.67 C ATOM 1153 O PRO A 73 -2.433 -2.976 -1.252 1.00130.67 O ATOM 1154 CB PRO A 73 -1.590 -5.920 -2.299 1.00130.67 C ATOM 1155 CG PRO A 73 -1.244 -7.328 -1.966 1.00130.67 C ATOM 1156 CD PRO A 73 -1.715 -7.547 -0.560 1.00130.67 C ATOM 0 HA PRO A 73 -0.569 -4.590 -0.857 1.00130.67 H new ATOM 0 HB2 PRO A 73 -2.593 -5.850 -2.720 1.00130.67 H new ATOM 0 HB3 PRO A 73 -0.903 -5.510 -3.040 1.00130.67 H new ATOM 0 HG2 PRO A 73 -1.729 -8.022 -2.653 1.00130.67 H new ATOM 0 HG3 PRO A 73 -0.170 -7.496 -2.049 1.00130.67 H new ATOM 0 HD2 PRO A 73 -2.741 -7.914 -0.532 1.00130.67 H new ATOM 0 HD3 PRO A 73 -1.100 -8.281 -0.039 1.00130.67 H new ATOM 1164 N ASP A 74 -3.766 -4.552 -0.370 1.00 56.92 N ATOM 1165 CA ASP A 74 -4.901 -3.649 -0.242 1.00 56.92 C ATOM 1166 C ASP A 74 -4.573 -2.527 0.729 1.00 56.92 C ATOM 1167 O ASP A 74 -4.919 -1.371 0.493 1.00 56.92 O ATOM 1168 CB ASP A 74 -6.141 -4.410 0.229 1.00 56.92 C ATOM 1169 CG ASP A 74 -6.620 -5.424 -0.792 1.00 56.92 C ATOM 1170 OD1 ASP A 74 -6.198 -5.333 -1.965 1.00 56.92 O ATOM 1171 OD2 ASP A 74 -7.415 -6.312 -0.419 1.00 56.92 O ATOM 0 H ASP A 74 -3.939 -5.504 -0.046 1.00 56.92 H new ATOM 0 HA ASP A 74 -5.111 -3.217 -1.220 1.00 56.92 H new ATOM 0 HB2 ASP A 74 -5.917 -4.920 1.166 1.00 56.92 H new ATOM 0 HB3 ASP A 74 -6.942 -3.701 0.436 1.00 56.92 H new ATOM 1176 N LEU A 75 -3.879 -2.868 1.806 1.00 72.53 N ATOM 1177 CA LEU A 75 -3.481 -1.874 2.792 1.00 72.53 C ATOM 1178 C LEU A 75 -2.367 -1.014 2.213 1.00 72.53 C ATOM 1179 O LEU A 75 -2.425 0.214 2.261 1.00 72.53 O ATOM 1180 CB LEU A 75 -2.998 -2.549 4.078 1.00 72.53 C ATOM 1181 CG LEU A 75 -4.063 -3.292 4.896 1.00 72.53 C ATOM 1182 CD1 LEU A 75 -4.730 -4.370 4.059 1.00 72.53 C ATOM 1183 CD2 LEU A 75 -3.413 -3.905 6.126 1.00 72.53 C ATOM 0 H LEU A 75 -3.581 -3.820 2.018 1.00 72.53 H new ATOM 0 HA LEU A 75 -4.343 -1.252 3.034 1.00 72.53 H new ATOM 0 HB2 LEU A 75 -2.211 -3.257 3.818 1.00 72.53 H new ATOM 0 HB3 LEU A 75 -2.546 -1.789 4.715 1.00 72.53 H new ATOM 0 HG LEU A 75 -4.832 -2.584 5.206 1.00 72.53 H new ATOM 0 HD11 LEU A 75 -5.481 -4.884 4.659 1.00 72.53 H new ATOM 0 HD12 LEU A 75 -5.208 -3.914 3.192 1.00 72.53 H new ATOM 0 HD13 LEU A 75 -3.980 -5.087 3.725 1.00 72.53 H new ATOM 0 HD21 LEU A 75 -4.166 -4.434 6.710 1.00 72.53 H new ATOM 0 HD22 LEU A 75 -2.636 -4.605 5.817 1.00 72.53 H new ATOM 0 HD23 LEU A 75 -2.970 -3.117 6.734 1.00 72.53 H new ATOM 1195 N LEU A 76 -1.357 -1.678 1.641 1.00 57.08 N ATOM 1196 CA LEU A 76 -0.227 -0.988 1.022 1.00 57.08 C ATOM 1197 C LEU A 76 -0.717 -0.020 -0.045 1.00 57.08 C ATOM 1198 O LEU A 76 -0.230 1.103 -0.153 1.00 57.08 O ATOM 1199 CB LEU A 76 0.736 -1.995 0.388 1.00 57.08 C ATOM 1200 CG LEU A 76 2.027 -1.386 -0.182 1.00 57.08 C ATOM 1201 CD1 LEU A 76 3.245 -1.857 0.597 1.00 57.08 C ATOM 1202 CD2 LEU A 76 2.182 -1.722 -1.661 1.00 57.08 C ATOM 0 H LEU A 76 -1.302 -2.695 1.595 1.00 57.08 H new ATOM 0 HA LEU A 76 0.297 -0.433 1.800 1.00 57.08 H new ATOM 0 HB2 LEU A 76 1.003 -2.741 1.137 1.00 57.08 H new ATOM 0 HB3 LEU A 76 0.215 -2.520 -0.413 1.00 57.08 H new ATOM 0 HG LEU A 76 1.954 -0.303 -0.080 1.00 57.08 H new ATOM 0 HD11 LEU A 76 4.144 -1.411 0.172 1.00 57.08 H new ATOM 0 HD12 LEU A 76 3.149 -1.556 1.640 1.00 57.08 H new ATOM 0 HD13 LEU A 76 3.317 -2.943 0.538 1.00 57.08 H new ATOM 0 HD21 LEU A 76 3.103 -1.279 -2.040 1.00 57.08 H new ATOM 0 HD22 LEU A 76 2.221 -2.804 -1.786 1.00 57.08 H new ATOM 0 HD23 LEU A 76 1.333 -1.323 -2.216 1.00 57.08 H new ATOM 1214 N THR A 77 -1.694 -0.471 -0.827 1.00 38.46 N ATOM 1215 CA THR A 77 -2.272 0.332 -1.886 1.00 38.46 C ATOM 1216 C THR A 77 -2.815 1.650 -1.352 1.00 38.46 C ATOM 1217 O THR A 77 -2.602 2.695 -1.955 1.00 38.46 O ATOM 1218 CB THR A 77 -3.406 -0.441 -2.581 1.00 38.46 C ATOM 1219 OG1 THR A 77 -2.883 -1.603 -3.234 1.00 38.46 O ATOM 1220 CG2 THR A 77 -4.145 0.422 -3.592 1.00 38.46 C ATOM 0 H THR A 77 -2.102 -1.402 -0.740 1.00 38.46 H new ATOM 0 HA THR A 77 -1.480 0.549 -2.603 1.00 38.46 H new ATOM 0 HB THR A 77 -4.117 -0.739 -1.810 1.00 38.46 H new ATOM 0 HG1 THR A 77 -2.454 -2.185 -2.572 1.00 38.46 H new ATOM 0 HG21 THR A 77 -4.937 -0.163 -4.059 1.00 38.46 H new ATOM 0 HG22 THR A 77 -4.580 1.284 -3.086 1.00 38.46 H new ATOM 0 HG23 THR A 77 -3.448 0.765 -4.357 1.00 38.46 H new ATOM 1228 N MET A 78 -3.529 1.600 -0.233 1.00 70.15 N ATOM 1229 CA MET A 78 -4.092 2.813 0.332 1.00 70.15 C ATOM 1230 C MET A 78 -2.974 3.751 0.743 1.00 70.15 C ATOM 1231 O MET A 78 -3.057 4.960 0.535 1.00 70.15 O ATOM 1232 CB MET A 78 -5.010 2.492 1.511 1.00 70.15 C ATOM 1233 CG MET A 78 -6.182 1.608 1.109 1.00 70.15 C ATOM 1234 SD MET A 78 -7.481 1.544 2.355 1.00 70.15 S ATOM 1235 CE MET A 78 -8.446 2.988 1.909 1.00 70.15 C ATOM 0 H MET A 78 -3.727 0.747 0.290 1.00 70.15 H new ATOM 0 HA MET A 78 -4.700 3.308 -0.425 1.00 70.15 H new ATOM 0 HB2 MET A 78 -4.434 1.995 2.292 1.00 70.15 H new ATOM 0 HB3 MET A 78 -5.388 3.421 1.937 1.00 70.15 H new ATOM 0 HG2 MET A 78 -6.603 1.976 0.173 1.00 70.15 H new ATOM 0 HG3 MET A 78 -5.819 0.598 0.920 1.00 70.15 H new ATOM 0 HE1 MET A 78 -9.436 2.917 2.359 1.00 70.15 H new ATOM 0 HE2 MET A 78 -7.946 3.886 2.272 1.00 70.15 H new ATOM 0 HE3 MET A 78 -8.543 3.040 0.825 1.00 70.15 H new ATOM 1245 N VAL A 79 -1.912 3.173 1.290 1.00 44.32 N ATOM 1246 CA VAL A 79 -0.755 3.940 1.698 1.00 44.32 C ATOM 1247 C VAL A 79 -0.036 4.484 0.470 1.00 44.32 C ATOM 1248 O VAL A 79 0.349 5.651 0.419 1.00 44.32 O ATOM 1249 CB VAL A 79 0.214 3.063 2.510 1.00 44.32 C ATOM 1250 CG1 VAL A 79 1.375 3.885 3.032 1.00 44.32 C ATOM 1251 CG2 VAL A 79 -0.521 2.364 3.644 1.00 44.32 C ATOM 0 H VAL A 79 -1.834 2.170 1.460 1.00 44.32 H new ATOM 0 HA VAL A 79 -1.092 4.768 2.322 1.00 44.32 H new ATOM 0 HB VAL A 79 0.621 2.297 1.850 1.00 44.32 H new ATOM 0 HG11 VAL A 79 2.047 3.244 3.603 1.00 44.32 H new ATOM 0 HG12 VAL A 79 1.917 4.323 2.194 1.00 44.32 H new ATOM 0 HG13 VAL A 79 0.998 4.680 3.675 1.00 44.32 H new ATOM 0 HG21 VAL A 79 0.180 1.748 4.207 1.00 44.32 H new ATOM 0 HG22 VAL A 79 -0.962 3.109 4.306 1.00 44.32 H new ATOM 0 HG23 VAL A 79 -1.309 1.733 3.233 1.00 44.32 H new ATOM 1261 N VAL A 80 0.124 3.617 -0.522 1.00 90.77 N ATOM 1262 CA VAL A 80 0.774 3.977 -1.771 1.00 90.77 C ATOM 1263 C VAL A 80 -0.038 5.028 -2.521 1.00 90.77 C ATOM 1264 O VAL A 80 0.483 6.068 -2.919 1.00 90.77 O ATOM 1265 CB VAL A 80 0.941 2.727 -2.673 1.00 90.77 C ATOM 1266 CG1 VAL A 80 1.497 3.107 -4.045 1.00 90.77 C ATOM 1267 CG2 VAL A 80 1.823 1.683 -1.990 1.00 90.77 C ATOM 0 H VAL A 80 -0.193 2.648 -0.482 1.00 90.77 H new ATOM 0 HA VAL A 80 1.755 4.387 -1.530 1.00 90.77 H new ATOM 0 HB VAL A 80 -0.044 2.288 -2.828 1.00 90.77 H new ATOM 0 HG11 VAL A 80 1.603 2.210 -4.656 1.00 90.77 H new ATOM 0 HG12 VAL A 80 0.814 3.801 -4.535 1.00 90.77 H new ATOM 0 HG13 VAL A 80 2.471 3.581 -3.924 1.00 90.77 H new ATOM 0 HG21 VAL A 80 1.928 0.814 -2.640 1.00 90.77 H new ATOM 0 HG22 VAL A 80 2.807 2.110 -1.794 1.00 90.77 H new ATOM 0 HG23 VAL A 80 1.365 1.379 -1.049 1.00 90.77 H new ATOM 1277 N ASP A 81 -1.316 4.742 -2.716 1.00 37.97 N ATOM 1278 CA ASP A 81 -2.195 5.656 -3.422 1.00 37.97 C ATOM 1279 C ASP A 81 -2.283 6.976 -2.681 1.00 37.97 C ATOM 1280 O ASP A 81 -2.310 8.041 -3.293 1.00 37.97 O ATOM 1281 CB ASP A 81 -3.588 5.046 -3.601 1.00 37.97 C ATOM 1282 CG ASP A 81 -3.593 3.890 -4.582 1.00 37.97 C ATOM 1283 OD1 ASP A 81 -2.593 3.726 -5.315 1.00 37.97 O ATOM 1284 OD2 ASP A 81 -4.596 3.150 -4.622 1.00 37.97 O ATOM 0 H ASP A 81 -1.766 3.885 -2.395 1.00 37.97 H new ATOM 0 HA ASP A 81 -1.777 5.838 -4.412 1.00 37.97 H new ATOM 0 HB2 ASP A 81 -3.957 4.701 -2.635 1.00 37.97 H new ATOM 0 HB3 ASP A 81 -4.277 5.816 -3.948 1.00 37.97 H new ATOM 1289 N TYR A 82 -2.303 6.902 -1.353 1.00130.70 N ATOM 1290 CA TYR A 82 -2.365 8.098 -0.543 1.00130.70 C ATOM 1291 C TYR A 82 -1.135 8.961 -0.771 1.00130.70 C ATOM 1292 O TYR A 82 -1.231 10.181 -0.892 1.00130.70 O ATOM 1293 CB TYR A 82 -2.467 7.709 0.931 1.00130.70 C ATOM 1294 CG TYR A 82 -2.161 8.831 1.895 1.00130.70 C ATOM 1295 CD1 TYR A 82 -0.844 9.182 2.173 1.00130.70 C ATOM 1296 CD2 TYR A 82 -3.172 9.536 2.520 1.00130.70 C ATOM 1297 CE1 TYR A 82 -0.550 10.206 3.044 1.00130.70 C ATOM 1298 CE2 TYR A 82 -2.881 10.557 3.391 1.00130.70 C ATOM 1299 CZ TYR A 82 -1.574 10.891 3.650 1.00130.70 C ATOM 1300 OH TYR A 82 -1.290 11.919 4.518 1.00130.70 O ATOM 0 H TYR A 82 -2.277 6.030 -0.825 1.00130.70 H new ATOM 0 HA TYR A 82 -3.245 8.674 -0.828 1.00130.70 H new ATOM 0 HB2 TYR A 82 -3.474 7.341 1.128 1.00130.70 H new ATOM 0 HB3 TYR A 82 -1.782 6.883 1.125 1.00130.70 H new ATOM 0 HD1 TYR A 82 -0.039 8.642 1.697 1.00130.70 H new ATOM 0 HD2 TYR A 82 -4.202 9.281 2.321 1.00130.70 H new ATOM 0 HE1 TYR A 82 0.477 10.469 3.249 1.00130.70 H new ATOM 0 HE2 TYR A 82 -3.681 11.098 3.873 1.00130.70 H new ATOM 0 HH TYR A 82 -1.815 12.709 4.272 1.00130.70 H new ATOM 1310 N ARG A 83 0.027 8.315 -0.815 1.00265.02 N ATOM 1311 CA ARG A 83 1.285 9.021 -1.011 1.00265.02 C ATOM 1312 C ARG A 83 1.176 9.965 -2.193 1.00265.02 C ATOM 1313 O ARG A 83 1.495 11.134 -2.080 1.00265.02 O ATOM 1314 CB ARG A 83 2.410 7.994 -1.226 1.00265.02 C ATOM 1315 CG ARG A 83 3.716 8.566 -1.777 1.00265.02 C ATOM 1316 CD ARG A 83 4.085 7.908 -3.099 1.00265.02 C ATOM 1317 NE ARG A 83 5.532 7.763 -3.253 1.00265.02 N ATOM 1318 CZ ARG A 83 6.381 8.785 -3.353 1.00265.02 C ATOM 1319 NH1 ARG A 83 5.937 10.038 -3.349 1.00265.02 N ATOM 1320 NH2 ARG A 83 7.681 8.553 -3.461 1.00265.02 N ATOM 0 H ARG A 83 0.121 7.304 -0.717 1.00265.02 H new ATOM 0 HA ARG A 83 1.515 9.617 -0.128 1.00265.02 H new ATOM 0 HB2 ARG A 83 2.619 7.504 -0.275 1.00265.02 H new ATOM 0 HB3 ARG A 83 2.052 7.224 -1.910 1.00265.02 H new ATOM 0 HG2 ARG A 83 3.615 9.642 -1.918 1.00265.02 H new ATOM 0 HG3 ARG A 83 4.518 8.413 -1.054 1.00265.02 H new ATOM 0 HD2 ARG A 83 3.614 6.927 -3.160 1.00265.02 H new ATOM 0 HD3 ARG A 83 3.690 8.503 -3.923 1.00265.02 H new ATOM 0 HE ARG A 83 5.916 6.819 -3.286 1.00265.02 H new ATOM 0 HH11 ARG A 83 4.937 10.225 -3.269 1.00265.02 H new ATOM 0 HH12 ARG A 83 6.596 10.813 -3.426 1.00265.02 H new ATOM 0 HH21 ARG A 83 8.029 7.594 -3.467 1.00265.02 H new ATOM 0 HH22 ARG A 83 8.334 9.333 -3.538 1.00265.02 H new ATOM 1334 N THR A 84 0.705 9.449 -3.303 1.00259.68 N ATOM 1335 CA THR A 84 0.539 10.244 -4.492 1.00259.68 C ATOM 1336 C THR A 84 -0.682 11.162 -4.421 1.00259.68 C ATOM 1337 O THR A 84 -0.643 12.294 -4.903 1.00259.68 O ATOM 1338 CB THR A 84 0.400 9.337 -5.715 1.00259.68 C ATOM 1339 OG1 THR A 84 1.518 8.444 -5.801 1.00259.68 O ATOM 1340 CG2 THR A 84 0.310 10.170 -6.969 1.00259.68 C ATOM 0 H THR A 84 0.428 8.473 -3.406 1.00259.68 H new ATOM 0 HA THR A 84 1.428 10.870 -4.575 1.00259.68 H new ATOM 0 HB THR A 84 -0.512 8.749 -5.612 1.00259.68 H new ATOM 0 HG1 THR A 84 1.416 7.867 -6.587 1.00259.68 H new ATOM 0 HG21 THR A 84 0.211 9.515 -7.835 1.00259.68 H new ATOM 0 HG22 THR A 84 -0.559 10.825 -6.909 1.00259.68 H new ATOM 0 HG23 THR A 84 1.213 10.773 -7.071 1.00259.68 H new ATOM 1348 N ARG A 85 -1.778 10.650 -3.879 1.00220.68 N ATOM 1349 CA ARG A 85 -3.015 11.417 -3.825 1.00220.68 C ATOM 1350 C ARG A 85 -2.870 12.666 -2.947 1.00220.68 C ATOM 1351 O ARG A 85 -3.272 13.759 -3.344 1.00220.68 O ATOM 1352 CB ARG A 85 -4.179 10.510 -3.360 1.00220.68 C ATOM 1353 CG ARG A 85 -4.457 10.511 -1.865 1.00220.68 C ATOM 1354 CD ARG A 85 -5.288 11.717 -1.476 1.00220.68 C ATOM 1355 NE ARG A 85 -6.227 11.411 -0.395 1.00220.68 N ATOM 1356 CZ ARG A 85 -7.412 12.005 -0.234 1.00220.68 C ATOM 1357 NH1 ARG A 85 -7.804 12.977 -1.050 1.00220.68 N ATOM 1358 NH2 ARG A 85 -8.207 11.631 0.760 1.00220.68 N ATOM 0 H ARG A 85 -1.837 9.716 -3.474 1.00220.68 H new ATOM 0 HA ARG A 85 -3.245 11.775 -4.828 1.00220.68 H new ATOM 0 HB2 ARG A 85 -5.086 10.818 -3.880 1.00220.68 H new ATOM 0 HB3 ARG A 85 -3.965 9.487 -3.671 1.00220.68 H new ATOM 0 HG2 ARG A 85 -4.981 9.597 -1.587 1.00220.68 H new ATOM 0 HG3 ARG A 85 -3.516 10.519 -1.315 1.00220.68 H new ATOM 0 HD2 ARG A 85 -4.628 12.527 -1.165 1.00220.68 H new ATOM 0 HD3 ARG A 85 -5.840 12.073 -2.346 1.00220.68 H new ATOM 0 HE ARG A 85 -5.958 10.696 0.281 1.00220.68 H new ATOM 0 HH11 ARG A 85 -7.197 13.279 -1.812 1.00220.68 H new ATOM 0 HH12 ARG A 85 -8.712 13.421 -0.915 1.00220.68 H new ATOM 0 HH21 ARG A 85 -7.912 10.892 1.398 1.00220.68 H new ATOM 0 HH22 ARG A 85 -9.113 12.083 0.886 1.00220.68 H new ATOM 1372 N VAL A 86 -2.267 12.509 -1.773 1.00 63.58 N ATOM 1373 CA VAL A 86 -2.053 13.643 -0.884 1.00 63.58 C ATOM 1374 C VAL A 86 -0.906 14.496 -1.431 1.00 63.58 C ATOM 1375 O VAL A 86 -0.882 15.712 -1.255 1.00 63.58 O ATOM 1376 CB VAL A 86 -1.786 13.195 0.578 1.00 63.58 C ATOM 1377 CG1 VAL A 86 -1.365 14.372 1.459 1.00 63.58 C ATOM 1378 CG2 VAL A 86 -3.038 12.529 1.146 1.00 63.58 C ATOM 0 H VAL A 86 -1.921 11.617 -1.419 1.00 63.58 H new ATOM 0 HA VAL A 86 -2.963 14.242 -0.854 1.00 63.58 H new ATOM 0 HB VAL A 86 -0.963 12.480 0.571 1.00 63.58 H new ATOM 0 HG11 VAL A 86 -1.187 14.020 2.475 1.00 63.58 H new ATOM 0 HG12 VAL A 86 -0.451 14.815 1.063 1.00 63.58 H new ATOM 0 HG13 VAL A 86 -2.157 15.121 1.468 1.00 63.58 H new ATOM 0 HG21 VAL A 86 -2.849 12.215 2.173 1.00 63.58 H new ATOM 0 HG22 VAL A 86 -3.866 13.237 1.130 1.00 63.58 H new ATOM 0 HG23 VAL A 86 -3.293 11.659 0.541 1.00 63.58 H new ATOM 1583 N LEU A 99 12.890 28.429 -9.867 1.00281.45 N ATOM 1584 CA LEU A 99 12.231 29.399 -10.736 1.00281.45 C ATOM 1585 C LEU A 99 11.655 30.568 -9.938 1.00281.45 C ATOM 1586 O LEU A 99 11.049 30.369 -8.886 1.00281.45 O ATOM 1587 CB LEU A 99 11.117 28.703 -11.516 1.00281.45 C ATOM 1588 CG LEU A 99 11.564 27.521 -12.380 1.00281.45 C ATOM 1589 CD1 LEU A 99 10.377 26.919 -13.122 1.00281.45 C ATOM 1590 CD2 LEU A 99 12.643 27.960 -13.361 1.00281.45 C ATOM 0 HA LEU A 99 12.974 29.802 -11.425 1.00281.45 H new ATOM 0 HB2 LEU A 99 10.366 28.351 -10.809 1.00281.45 H new ATOM 0 HB3 LEU A 99 10.631 29.438 -12.158 1.00281.45 H new ATOM 0 HG LEU A 99 11.982 26.755 -11.727 1.00281.45 H new ATOM 0 HD11 LEU A 99 10.716 26.080 -13.730 1.00281.45 H new ATOM 0 HD12 LEU A 99 9.637 26.570 -12.402 1.00281.45 H new ATOM 0 HD13 LEU A 99 9.928 27.676 -13.765 1.00281.45 H new ATOM 0 HD21 LEU A 99 12.951 27.109 -13.968 1.00281.45 H new ATOM 0 HD22 LEU A 99 12.249 28.744 -14.008 1.00281.45 H new ATOM 0 HD23 LEU A 99 13.502 28.342 -12.810 1.00281.45 H new ATOM 1602 N THR A 100 11.855 31.789 -10.439 1.00235.89 N ATOM 1603 CA THR A 100 11.353 32.979 -9.760 1.00235.89 C ATOM 1604 C THR A 100 10.021 33.480 -10.343 1.00235.89 C ATOM 1605 O THR A 100 8.951 33.105 -9.866 1.00235.89 O ATOM 1606 CB THR A 100 12.391 34.118 -9.779 1.00235.89 C ATOM 1607 OG1 THR A 100 12.726 34.453 -11.131 1.00235.89 O ATOM 1608 CG2 THR A 100 13.644 33.707 -9.030 1.00235.89 C ATOM 0 H THR A 100 12.358 31.976 -11.307 1.00235.89 H new ATOM 0 HA THR A 100 11.171 32.679 -8.728 1.00235.89 H new ATOM 0 HB THR A 100 11.957 34.989 -9.288 1.00235.89 H new ATOM 0 HG1 THR A 100 13.385 35.179 -11.135 1.00235.89 H new ATOM 0 HG21 THR A 100 14.366 34.523 -9.054 1.00235.89 H new ATOM 0 HG22 THR A 100 13.390 33.477 -7.995 1.00235.89 H new ATOM 0 HG23 THR A 100 14.077 32.825 -9.502 1.00235.89 H new ATOM 1616 N ARG A 101 10.091 34.345 -11.357 1.00326.00 N ATOM 1617 CA ARG A 101 8.892 34.906 -11.976 1.00326.00 C ATOM 1618 C ARG A 101 8.497 34.121 -13.223 1.00326.00 C ATOM 1619 O ARG A 101 8.622 34.612 -14.345 1.00326.00 O ATOM 1620 CB ARG A 101 9.124 36.377 -12.318 1.00326.00 C ATOM 1621 CG ARG A 101 9.600 37.201 -11.131 1.00326.00 C ATOM 1622 CD ARG A 101 11.113 37.146 -10.977 1.00326.00 C ATOM 1623 NE ARG A 101 11.729 38.463 -11.129 1.00326.00 N ATOM 1624 CZ ARG A 101 11.504 39.495 -10.315 1.00326.00 C ATOM 1625 NH1 ARG A 101 10.686 39.372 -9.276 1.00326.00 N ATOM 1626 NH2 ARG A 101 12.106 40.655 -10.540 1.00326.00 N ATOM 0 H ARG A 101 10.967 34.671 -11.766 1.00326.00 H new ATOM 0 HA ARG A 101 8.070 34.832 -11.264 1.00326.00 H new ATOM 0 HB2 ARG A 101 9.861 36.445 -13.118 1.00326.00 H new ATOM 0 HB3 ARG A 101 8.197 36.805 -12.701 1.00326.00 H new ATOM 0 HG2 ARG A 101 9.285 38.237 -11.257 1.00326.00 H new ATOM 0 HG3 ARG A 101 9.128 36.833 -10.220 1.00326.00 H new ATOM 0 HD2 ARG A 101 11.363 36.740 -9.997 1.00326.00 H new ATOM 0 HD3 ARG A 101 11.528 36.464 -11.719 1.00326.00 H new ATOM 0 HE ARG A 101 12.373 38.602 -11.908 1.00326.00 H new ATOM 0 HH11 ARG A 101 10.223 38.482 -9.094 1.00326.00 H new ATOM 0 HH12 ARG A 101 10.521 40.168 -8.660 1.00326.00 H new ATOM 0 HH21 ARG A 101 12.739 40.756 -11.334 1.00326.00 H new ATOM 0 HH22 ARG A 101 11.936 41.447 -9.919 1.00326.00 H new ATOM 1640 N ILE A 102 8.040 32.892 -13.021 1.00164.55 N ATOM 1641 CA ILE A 102 7.653 32.028 -14.126 1.00164.55 C ATOM 1642 C ILE A 102 6.145 31.781 -14.135 1.00164.55 C ATOM 1643 O ILE A 102 5.676 30.783 -13.597 1.00164.55 O ATOM 1644 CB ILE A 102 8.395 30.672 -14.057 1.00164.55 C ATOM 1645 CG1 ILE A 102 9.906 30.879 -14.199 1.00164.55 C ATOM 1646 CG2 ILE A 102 7.895 29.704 -15.127 1.00164.55 C ATOM 1647 CD1 ILE A 102 10.523 31.676 -13.082 1.00164.55 C ATOM 0 H ILE A 102 7.928 32.471 -12.099 1.00164.55 H new ATOM 0 HA ILE A 102 7.931 32.541 -15.047 1.00164.55 H new ATOM 0 HB ILE A 102 8.186 30.232 -13.082 1.00164.55 H new ATOM 0 HG12 ILE A 102 10.393 29.905 -14.248 1.00164.55 H new ATOM 0 HG13 ILE A 102 10.106 31.383 -15.145 1.00164.55 H new ATOM 0 HG21 ILE A 102 8.438 28.762 -15.048 1.00164.55 H new ATOM 0 HG22 ILE A 102 6.830 29.521 -14.983 1.00164.55 H new ATOM 0 HG23 ILE A 102 8.059 30.136 -16.114 1.00164.55 H new ATOM 0 HD11 ILE A 102 11.594 31.778 -13.256 1.00164.55 H new ATOM 0 HD12 ILE A 102 10.066 32.665 -13.045 1.00164.55 H new ATOM 0 HD13 ILE A 102 10.357 31.163 -12.134 1.00164.55 H new ATOM 1659 N PRO A 103 5.363 32.673 -14.757 1.00 72.69 N ATOM 1660 CA PRO A 103 3.911 32.507 -14.828 1.00 72.69 C ATOM 1661 C PRO A 103 3.511 31.229 -15.566 1.00 72.69 C ATOM 1662 O PRO A 103 2.429 30.688 -15.342 1.00 72.69 O ATOM 1663 CB PRO A 103 3.444 33.743 -15.595 1.00 72.69 C ATOM 1664 CG PRO A 103 4.647 34.223 -16.326 1.00 72.69 C ATOM 1665 CD PRO A 103 5.816 33.891 -15.447 1.00 72.69 C ATOM 0 HA PRO A 103 3.462 32.415 -13.839 1.00 72.69 H new ATOM 0 HB2 PRO A 103 2.636 33.497 -16.284 1.00 72.69 H new ATOM 0 HB3 PRO A 103 3.064 34.507 -14.917 1.00 72.69 H new ATOM 0 HG2 PRO A 103 4.736 33.735 -17.297 1.00 72.69 H new ATOM 0 HG3 PRO A 103 4.590 35.295 -16.513 1.00 72.69 H new ATOM 0 HD2 PRO A 103 6.722 33.715 -16.027 1.00 72.69 H new ATOM 0 HD3 PRO A 103 6.037 34.696 -14.746 1.00 72.69 H new ATOM 1673 N SER A 104 4.390 30.750 -16.445 1.00159.85 N ATOM 1674 CA SER A 104 4.123 29.533 -17.209 1.00159.85 C ATOM 1675 C SER A 104 4.076 28.309 -16.297 1.00159.85 C ATOM 1676 O SER A 104 3.319 27.370 -16.541 1.00159.85 O ATOM 1677 CB SER A 104 5.193 29.339 -18.286 1.00159.85 C ATOM 1678 OG SER A 104 6.467 29.116 -17.706 1.00159.85 O ATOM 0 H SER A 104 5.291 31.185 -16.645 1.00159.85 H new ATOM 0 HA SER A 104 3.149 29.642 -17.686 1.00159.85 H new ATOM 0 HB2 SER A 104 4.926 28.494 -18.920 1.00159.85 H new ATOM 0 HB3 SER A 104 5.231 30.219 -18.928 1.00159.85 H new ATOM 0 HG SER A 104 7.132 28.993 -18.415 1.00159.85 H new ATOM 1684 N ALA A 105 4.885 28.330 -15.242 1.00293.58 N ATOM 1685 CA ALA A 105 4.933 27.229 -14.286 1.00293.58 C ATOM 1686 C ALA A 105 4.374 27.668 -12.944 1.00293.58 C ATOM 1687 O ALA A 105 3.367 27.141 -12.469 1.00293.58 O ATOM 1688 CB ALA A 105 6.361 26.729 -14.121 1.00293.58 C ATOM 0 H ALA A 105 5.518 29.100 -15.027 1.00293.58 H new ATOM 0 HA ALA A 105 4.320 26.413 -14.670 1.00293.58 H new ATOM 0 HB1 ALA A 105 6.378 25.908 -13.404 1.00293.58 H new ATOM 0 HB2 ALA A 105 6.738 26.380 -15.082 1.00293.58 H new ATOM 0 HB3 ALA A 105 6.991 27.541 -13.758 1.00293.58 H new ATOM 1694 N LYS A 106 5.032 28.651 -12.343 1.00328.40 N ATOM 1695 CA LYS A 106 4.608 29.188 -11.062 1.00328.40 C ATOM 1696 C LYS A 106 3.503 30.216 -11.265 1.00328.40 C ATOM 1697 O LYS A 106 3.718 31.247 -11.902 1.00328.40 O ATOM 1698 CB LYS A 106 5.787 29.845 -10.348 1.00328.40 C ATOM 1699 CG LYS A 106 7.017 28.958 -10.239 1.00328.40 C ATOM 1700 CD LYS A 106 7.787 29.229 -8.953 1.00328.40 C ATOM 1701 CE LYS A 106 8.197 30.691 -8.834 1.00328.40 C ATOM 1702 NZ LYS A 106 8.654 31.036 -7.458 1.00328.40 N ATOM 0 H LYS A 106 5.867 29.093 -12.728 1.00328.40 H new ATOM 0 HA LYS A 106 4.231 28.368 -10.451 1.00328.40 H new ATOM 0 HB2 LYS A 106 6.056 30.758 -10.878 1.00328.40 H new ATOM 0 HB3 LYS A 106 5.474 30.139 -9.346 1.00328.40 H new ATOM 0 HG2 LYS A 106 6.716 27.911 -10.271 1.00328.40 H new ATOM 0 HG3 LYS A 106 7.667 29.129 -11.097 1.00328.40 H new ATOM 0 HD2 LYS A 106 7.172 28.954 -8.097 1.00328.40 H new ATOM 0 HD3 LYS A 106 8.676 28.599 -8.922 1.00328.40 H new ATOM 0 HE2 LYS A 106 8.997 30.902 -9.544 1.00328.40 H new ATOM 0 HE3 LYS A 106 7.354 31.326 -9.105 1.00328.40 H new ATOM 0 HZ1 LYS A 106 8.381 32.015 -7.237 1.00328.40 H new ATOM 0 HZ2 LYS A 106 8.212 30.390 -6.773 1.00328.40 H new ATOM 0 HZ3 LYS A 106 9.688 30.944 -7.402 1.00328.40 H new ATOM 1716 N LYS A 107 2.323 29.934 -10.729 1.00281.61 N ATOM 1717 CA LYS A 107 1.196 30.847 -10.868 1.00281.61 C ATOM 1718 C LYS A 107 0.956 31.660 -9.605 1.00281.61 C ATOM 1719 O LYS A 107 1.546 31.415 -8.554 1.00281.61 O ATOM 1720 CB LYS A 107 -0.081 30.108 -11.258 1.00281.61 C ATOM 1721 CG LYS A 107 -0.017 29.473 -12.637 1.00281.61 C ATOM 1722 CD LYS A 107 -1.357 28.881 -13.043 1.00281.61 C ATOM 1723 CE LYS A 107 -2.390 29.964 -13.334 1.00281.61 C ATOM 1724 NZ LYS A 107 -2.784 29.988 -14.771 1.00281.61 N ATOM 0 H LYS A 107 2.122 29.087 -10.198 1.00281.61 H new ATOM 0 HA LYS A 107 1.460 31.537 -11.670 1.00281.61 H new ATOM 0 HB2 LYS A 107 -0.283 29.333 -10.519 1.00281.61 H new ATOM 0 HB3 LYS A 107 -0.919 30.805 -11.226 1.00281.61 H new ATOM 0 HG2 LYS A 107 0.288 30.221 -13.369 1.00281.61 H new ATOM 0 HG3 LYS A 107 0.743 28.692 -12.644 1.00281.61 H new ATOM 0 HD2 LYS A 107 -1.226 28.257 -13.927 1.00281.61 H new ATOM 0 HD3 LYS A 107 -1.724 28.233 -12.247 1.00281.61 H new ATOM 0 HE2 LYS A 107 -3.274 29.797 -12.718 1.00281.61 H new ATOM 0 HE3 LYS A 107 -1.985 30.936 -13.053 1.00281.61 H new ATOM 0 HZ1 LYS A 107 -3.487 30.738 -14.926 1.00281.61 H new ATOM 0 HZ2 LYS A 107 -1.946 30.173 -15.358 1.00281.61 H new ATOM 0 HZ3 LYS A 107 -3.194 29.069 -15.034 1.00281.61 H new ATOM 1738 N TYR A 108 0.082 32.640 -9.751 1.00309.62 N ATOM 1739 CA TYR A 108 -0.288 33.550 -8.678 1.00309.62 C ATOM 1740 C TYR A 108 -1.547 33.083 -7.961 1.00309.62 C ATOM 1741 O TYR A 108 -2.509 32.650 -8.595 1.00309.62 O ATOM 1742 CB TYR A 108 -0.543 34.931 -9.278 1.00309.62 C ATOM 1743 CG TYR A 108 -1.695 34.928 -10.262 1.00309.62 C ATOM 1744 CD1 TYR A 108 -1.496 34.600 -11.597 1.00309.62 C ATOM 1745 CD2 TYR A 108 -2.983 35.234 -9.846 1.00309.62 C ATOM 1746 CE1 TYR A 108 -2.545 34.577 -12.492 1.00309.62 C ATOM 1747 CE2 TYR A 108 -4.040 35.216 -10.735 1.00309.62 C ATOM 1748 CZ TYR A 108 -3.818 34.887 -12.056 1.00309.62 C ATOM 1749 OH TYR A 108 -4.873 34.863 -12.943 1.00309.62 O ATOM 0 H TYR A 108 -0.398 32.830 -10.630 1.00309.62 H new ATOM 0 HA TYR A 108 0.525 33.581 -7.953 1.00309.62 H new ATOM 0 HB2 TYR A 108 -0.755 35.639 -8.477 1.00309.62 H new ATOM 0 HB3 TYR A 108 0.360 35.279 -9.780 1.00309.62 H new ATOM 0 HD1 TYR A 108 -0.501 34.358 -11.941 1.00309.62 H new ATOM 0 HD2 TYR A 108 -3.162 35.490 -8.812 1.00309.62 H new ATOM 0 HE1 TYR A 108 -2.372 34.318 -13.526 1.00309.62 H new ATOM 0 HE2 TYR A 108 -5.037 35.459 -10.397 1.00309.62 H new ATOM 0 HH TYR A 108 -5.699 35.105 -12.475 1.00309.62 H new ATOM 1759 N LYS A 109 -1.547 33.195 -6.641 1.00276.51 N ATOM 1760 CA LYS A 109 -2.707 32.807 -5.852 1.00276.51 C ATOM 1761 C LYS A 109 -3.492 34.020 -5.383 1.00276.51 C ATOM 1762 O LYS A 109 -4.324 33.916 -4.483 1.00276.51 O ATOM 1763 CB LYS A 109 -2.284 31.959 -4.663 1.00276.51 C ATOM 1764 CG LYS A 109 -1.349 30.829 -5.053 1.00276.51 C ATOM 1765 CD LYS A 109 -0.471 30.414 -3.887 1.00276.51 C ATOM 1766 CE LYS A 109 0.406 31.568 -3.427 1.00276.51 C ATOM 1767 NZ LYS A 109 1.786 31.119 -3.087 1.00276.51 N ATOM 0 H LYS A 109 -0.761 33.549 -6.096 1.00276.51 H new ATOM 0 HA LYS A 109 -3.359 32.214 -6.493 1.00276.51 H new ATOM 0 HB2 LYS A 109 -1.793 32.594 -3.926 1.00276.51 H new ATOM 0 HB3 LYS A 109 -3.171 31.543 -4.185 1.00276.51 H new ATOM 0 HG2 LYS A 109 -1.931 29.974 -5.395 1.00276.51 H new ATOM 0 HG3 LYS A 109 -0.723 31.143 -5.888 1.00276.51 H new ATOM 0 HD2 LYS A 109 -1.095 30.075 -3.060 1.00276.51 H new ATOM 0 HD3 LYS A 109 0.155 29.571 -4.180 1.00276.51 H new ATOM 0 HE2 LYS A 109 0.453 32.323 -4.212 1.00276.51 H new ATOM 0 HE3 LYS A 109 -0.046 32.042 -2.556 1.00276.51 H new ATOM 0 HZ1 LYS A 109 2.351 31.936 -2.778 1.00276.51 H new ATOM 0 HZ2 LYS A 109 1.744 30.418 -2.320 1.00276.51 H new ATOM 0 HZ3 LYS A 109 2.228 30.690 -3.925 1.00276.51 H new ATOM 1781 N ASP A 110 -3.263 35.166 -6.024 1.00203.92 N ATOM 1782 CA ASP A 110 -3.999 36.381 -5.688 1.00203.92 C ATOM 1783 C ASP A 110 -5.497 36.101 -5.781 1.00203.92 C ATOM 1784 O ASP A 110 -6.305 36.677 -5.052 1.00203.92 O ATOM 1785 CB ASP A 110 -3.623 37.519 -6.641 1.00203.92 C ATOM 1786 CG ASP A 110 -2.205 38.018 -6.428 1.00203.92 C ATOM 1787 OD1 ASP A 110 -1.552 37.572 -5.461 1.00203.92 O ATOM 1788 OD2 ASP A 110 -1.747 38.858 -7.231 1.00203.92 O ATOM 0 H ASP A 110 -2.579 35.277 -6.773 1.00203.92 H new ATOM 0 HA ASP A 110 -3.742 36.684 -4.673 1.00203.92 H new ATOM 0 HB2 ASP A 110 -3.732 37.177 -7.670 1.00203.92 H new ATOM 0 HB3 ASP A 110 -4.319 38.347 -6.505 1.00203.92 H new ATOM 1793 N ILE A 111 -5.840 35.177 -6.677 1.00 50.97 N ATOM 1794 CA ILE A 111 -7.206 34.760 -6.879 1.00 50.97 C ATOM 1795 C ILE A 111 -7.503 33.579 -5.957 1.00 50.97 C ATOM 1796 O ILE A 111 -6.614 32.779 -5.663 1.00 50.97 O ATOM 1797 CB ILE A 111 -7.440 34.401 -8.379 1.00 50.97 C ATOM 1798 CG1 ILE A 111 -7.566 35.674 -9.238 1.00 50.97 C ATOM 1799 CG2 ILE A 111 -8.673 33.526 -8.571 1.00 50.97 C ATOM 1800 CD1 ILE A 111 -6.544 36.754 -8.932 1.00 50.97 C ATOM 0 H ILE A 111 -5.168 34.702 -7.280 1.00 50.97 H new ATOM 0 HA ILE A 111 -7.891 35.571 -6.632 1.00 50.97 H new ATOM 0 HB ILE A 111 -6.569 33.834 -8.706 1.00 50.97 H new ATOM 0 HG12 ILE A 111 -7.477 35.397 -10.288 1.00 50.97 H new ATOM 0 HG13 ILE A 111 -8.564 36.090 -9.102 1.00 50.97 H new ATOM 0 HG21 ILE A 111 -8.798 33.300 -9.630 1.00 50.97 H new ATOM 0 HG22 ILE A 111 -8.550 32.597 -8.014 1.00 50.97 H new ATOM 0 HG23 ILE A 111 -9.554 34.054 -8.206 1.00 50.97 H new ATOM 0 HD11 ILE A 111 -6.712 37.610 -9.586 1.00 50.97 H new ATOM 0 HD12 ILE A 111 -6.645 37.066 -7.893 1.00 50.97 H new ATOM 0 HD13 ILE A 111 -5.540 36.363 -9.098 1.00 50.97 H new ATOM 1812 N ILE A 112 -8.740 33.476 -5.493 1.00108.96 N ATOM 1813 CA ILE A 112 -9.111 32.391 -4.601 1.00108.96 C ATOM 1814 C ILE A 112 -9.615 31.193 -5.384 1.00108.96 C ATOM 1815 O ILE A 112 -10.560 31.300 -6.166 1.00108.96 O ATOM 1816 CB ILE A 112 -10.205 32.822 -3.602 1.00108.96 C ATOM 1817 CG1 ILE A 112 -9.836 34.149 -2.921 1.00108.96 C ATOM 1818 CG2 ILE A 112 -10.425 31.727 -2.567 1.00108.96 C ATOM 1819 CD1 ILE A 112 -8.421 34.202 -2.375 1.00108.96 C ATOM 0 H ILE A 112 -9.495 34.124 -5.717 1.00108.96 H new ATOM 0 HA ILE A 112 -8.211 32.120 -4.049 1.00108.96 H new ATOM 0 HB ILE A 112 -11.134 32.978 -4.151 1.00108.96 H new ATOM 0 HG12 ILE A 112 -9.966 34.960 -3.638 1.00108.96 H new ATOM 0 HG13 ILE A 112 -10.535 34.331 -2.104 1.00108.96 H new ATOM 0 HG21 ILE A 112 -11.199 32.039 -1.866 1.00108.96 H new ATOM 0 HG22 ILE A 112 -10.738 30.811 -3.068 1.00108.96 H new ATOM 0 HG23 ILE A 112 -9.496 31.546 -2.026 1.00108.96 H new ATOM 0 HD11 ILE A 112 -8.246 35.173 -1.912 1.00108.96 H new ATOM 0 HD12 ILE A 112 -8.288 33.416 -1.631 1.00108.96 H new ATOM 0 HD13 ILE A 112 -7.711 34.055 -3.189 1.00108.96 H new