USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 744 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 66 ASN : amide:sc= -0.316 X(o=-0.04,f=0.28) USER MOD Set 1.2: A 71 CYS SG : rot -98:sc= 0.276 USER MOD Set 2.1: A 50 MET CE :methyl -165:sc= -2.49 (180deg=-3.43) USER MOD Set 2.2: A 63 GLN : amide:sc= -4.63! C(o=-6.6!,f=-6.8!) USER MOD Set 2.3: A 70 TYR OH : rot 35:sc= 0.564 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= -0.167 (180deg=-0.216) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= -0.416 USER MOD Single : A 9 THR OG1 : rot -92:sc= 0.674 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -119:sc= -0.965 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.357 X(o=-0.36,f=-0.61) USER MOD Single : A 21 GLN : amide:sc= -0.211 X(o=-0.21,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.983 USER MOD Single : A 25 THR OG1 : rot 69:sc= 1.09 USER MOD Single : A 31 LYS NZ :NH3+ -177:sc= -3.64! (180deg=-3.85!) USER MOD Single : A 34 GLN : amide:sc= -0.743 K(o=-0.74,f=-0.053) USER MOD Single : A 35 TYR OH : rot 130:sc= -0.0314 USER MOD Single : A 36 GLN : amide:sc= -0.142 K(o=-0.14,f=-3!) USER MOD Single : A 41 SER OG : rot 110:sc= -0.343 USER MOD Single : A 42 GLN : amide:sc= -0.367 K(o=-0.37,f=-3.1!) USER MOD Single : A 44 ASN : amide:sc= -0.0332 K(o=-0.033,f=-1.5!) USER MOD Single : A 56 ASN : amide:sc= -4.23! C(o=-4.2!,f=-3.8!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot -170:sc= -1.5 USER MOD Single : A 69 GLN : amide:sc= -0.426 X(o=-0.43,f=-0.11) USER MOD Single : A 74 TYR OH : rot 15:sc= -1 USER MOD Single : A 83 GLN : amide:sc= -0.0198 X(o=-0.02,f=0) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 85 THR OG1 : rot 172:sc= -1.15 USER MOD Single : A 87 GLN : amide:sc= -8.44! C(o=-8.4!,f=-8.9!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 18.167 4.547 -3.400 1.00 0.00 N ATOM 2 CA MET A 1 17.421 4.969 -4.615 1.00 0.00 C ATOM 3 C MET A 1 16.071 4.264 -4.705 1.00 0.00 C ATOM 4 O MET A 1 15.108 4.813 -5.240 1.00 0.00 O ATOM 5 CB MET A 1 18.270 4.643 -5.845 1.00 0.00 C ATOM 6 CG MET A 1 18.513 3.155 -6.040 1.00 0.00 C ATOM 7 SD MET A 1 19.160 2.766 -7.677 1.00 0.00 S ATOM 8 CE MET A 1 20.468 1.616 -7.260 1.00 0.00 C ATOM 0 H1 MET A 1 19.050 5.091 -3.328 1.00 0.00 H new ATOM 0 H2 MET A 1 17.584 4.721 -2.557 1.00 0.00 H new ATOM 0 H3 MET A 1 18.390 3.533 -3.464 1.00 0.00 H new ATOM 0 HA MET A 1 17.229 6.041 -4.564 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.778 5.041 -6.732 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.230 5.151 -5.758 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.214 2.803 -5.283 1.00 0.00 H new ATOM 0 HG3 MET A 1 17.579 2.615 -5.885 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.965 1.284 -8.172 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.192 2.108 -6.611 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.044 0.755 -6.743 1.00 0.00 H new ATOM 20 N SER A 2 16.008 3.046 -4.177 1.00 0.00 N ATOM 21 CA SER A 2 14.775 2.267 -4.198 1.00 0.00 C ATOM 22 C SER A 2 14.139 2.218 -2.812 1.00 0.00 C ATOM 23 O SER A 2 14.836 2.183 -1.799 1.00 0.00 O ATOM 24 CB SER A 2 15.053 0.847 -4.695 1.00 0.00 C ATOM 25 OG SER A 2 14.936 0.768 -6.105 1.00 0.00 O ATOM 0 H SER A 2 16.796 2.577 -3.730 1.00 0.00 H new ATOM 0 HA SER A 2 14.078 2.754 -4.881 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.055 0.542 -4.392 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.354 0.152 -4.229 1.00 0.00 H new ATOM 0 HG SER A 2 15.120 -0.149 -6.398 1.00 0.00 H new ATOM 31 N GLY A 3 12.810 2.215 -2.777 1.00 0.00 N ATOM 32 CA GLY A 3 12.102 2.171 -1.511 1.00 0.00 C ATOM 33 C GLY A 3 10.671 1.696 -1.663 1.00 0.00 C ATOM 34 O GLY A 3 10.222 1.398 -2.770 1.00 0.00 O ATOM 0 H GLY A 3 12.211 2.242 -3.602 1.00 0.00 H new ATOM 0 HA2 GLY A 3 12.631 1.508 -0.826 1.00 0.00 H new ATOM 0 HA3 GLY A 3 12.106 3.164 -1.061 1.00 0.00 H new ATOM 38 N LEU A 4 9.952 1.627 -0.547 1.00 0.00 N ATOM 39 CA LEU A 4 8.561 1.187 -0.559 1.00 0.00 C ATOM 40 C LEU A 4 7.721 2.034 0.389 1.00 0.00 C ATOM 41 O LEU A 4 7.737 1.827 1.603 1.00 0.00 O ATOM 42 CB LEU A 4 8.467 -0.289 -0.166 1.00 0.00 C ATOM 43 CG LEU A 4 8.877 -1.277 -1.260 1.00 0.00 C ATOM 44 CD1 LEU A 4 9.339 -2.589 -0.647 1.00 0.00 C ATOM 45 CD2 LEU A 4 7.723 -1.512 -2.222 1.00 0.00 C ATOM 0 H LEU A 4 10.309 1.870 0.377 1.00 0.00 H new ATOM 0 HA LEU A 4 8.173 1.309 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.095 -0.457 0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 4 7.441 -0.505 0.132 1.00 0.00 H new ATOM 0 HG LEU A 4 9.709 -0.849 -1.819 1.00 0.00 H new ATOM 0 HD11 LEU A 4 9.627 -3.280 -1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 4 10.195 -2.406 0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 4 8.527 -3.024 -0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.031 -2.217 -2.994 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.872 -1.920 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 4 7.438 -0.568 -2.686 1.00 0.00 H new ATOM 57 N ARG A 5 6.991 2.992 -0.171 1.00 0.00 N ATOM 58 CA ARG A 5 6.148 3.875 0.628 1.00 0.00 C ATOM 59 C ARG A 5 4.709 3.372 0.667 1.00 0.00 C ATOM 60 O ARG A 5 3.901 3.703 -0.200 1.00 0.00 O ATOM 61 CB ARG A 5 6.185 5.301 0.069 1.00 0.00 C ATOM 62 CG ARG A 5 7.545 5.713 -0.475 1.00 0.00 C ATOM 63 CD ARG A 5 8.026 7.017 0.141 1.00 0.00 C ATOM 64 NE ARG A 5 9.451 6.979 0.461 1.00 0.00 N ATOM 65 CZ ARG A 5 10.060 7.867 1.244 1.00 0.00 C ATOM 66 NH1 ARG A 5 9.373 8.865 1.785 1.00 0.00 N ATOM 67 NH2 ARG A 5 11.359 7.757 1.485 1.00 0.00 N ATOM 0 H ARG A 5 6.966 3.177 -1.174 1.00 0.00 H new ATOM 0 HA ARG A 5 6.540 3.880 1.645 1.00 0.00 H new ATOM 0 HB2 ARG A 5 5.444 5.389 -0.726 1.00 0.00 H new ATOM 0 HB3 ARG A 5 5.893 5.997 0.855 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.271 4.926 -0.273 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.486 5.822 -1.558 1.00 0.00 H new ATOM 0 HD2 ARG A 5 7.831 7.838 -0.550 1.00 0.00 H new ATOM 0 HD3 ARG A 5 7.456 7.221 1.048 1.00 0.00 H new ATOM 0 HE ARG A 5 10.013 6.228 0.061 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.374 8.954 1.602 1.00 0.00 H new ATOM 0 HH12 ARG A 5 9.844 9.543 2.384 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.892 6.992 1.071 1.00 0.00 H new ATOM 0 HH22 ARG A 5 11.826 8.437 2.085 1.00 0.00 H new ATOM 81 N VAL A 6 4.394 2.575 1.684 1.00 0.00 N ATOM 82 CA VAL A 6 3.051 2.033 1.841 1.00 0.00 C ATOM 83 C VAL A 6 2.163 3.004 2.611 1.00 0.00 C ATOM 84 O VAL A 6 2.408 3.286 3.784 1.00 0.00 O ATOM 85 CB VAL A 6 3.072 0.679 2.574 1.00 0.00 C ATOM 86 CG1 VAL A 6 1.689 0.046 2.569 1.00 0.00 C ATOM 87 CG2 VAL A 6 4.095 -0.252 1.943 1.00 0.00 C ATOM 0 H VAL A 6 5.051 2.291 2.411 1.00 0.00 H new ATOM 0 HA VAL A 6 2.646 1.884 0.840 1.00 0.00 H new ATOM 0 HB VAL A 6 3.362 0.852 3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.724 -0.910 3.092 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.984 0.708 3.071 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.366 -0.115 1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.096 -1.204 2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.838 -0.420 0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.085 0.200 2.005 1.00 0.00 H new ATOM 97 N TYR A 7 1.137 3.520 1.943 1.00 0.00 N ATOM 98 CA TYR A 7 0.221 4.467 2.567 1.00 0.00 C ATOM 99 C TYR A 7 -0.805 3.751 3.436 1.00 0.00 C ATOM 100 O TYR A 7 -1.236 2.641 3.124 1.00 0.00 O ATOM 101 CB TYR A 7 -0.490 5.302 1.500 1.00 0.00 C ATOM 102 CG TYR A 7 0.373 6.394 0.909 1.00 0.00 C ATOM 103 CD1 TYR A 7 0.470 7.637 1.521 1.00 0.00 C ATOM 104 CD2 TYR A 7 1.091 6.181 -0.261 1.00 0.00 C ATOM 105 CE1 TYR A 7 1.257 8.638 0.983 1.00 0.00 C ATOM 106 CE2 TYR A 7 1.881 7.176 -0.805 1.00 0.00 C ATOM 107 CZ TYR A 7 1.961 8.402 -0.179 1.00 0.00 C ATOM 108 OH TYR A 7 2.746 9.396 -0.717 1.00 0.00 O ATOM 0 H TYR A 7 0.919 3.299 0.971 1.00 0.00 H new ATOM 0 HA TYR A 7 0.808 5.127 3.206 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.826 4.643 0.699 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.381 5.752 1.937 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.078 7.825 2.432 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.031 5.222 -0.754 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.320 9.600 1.470 1.00 0.00 H new ATOM 0 HE2 TYR A 7 2.433 6.994 -1.715 1.00 0.00 H new ATOM 0 HH TYR A 7 3.175 9.068 -1.535 1.00 0.00 H new ATOM 118 N SER A 8 -1.190 4.398 4.531 1.00 0.00 N ATOM 119 CA SER A 8 -2.166 3.829 5.453 1.00 0.00 C ATOM 120 C SER A 8 -2.888 4.927 6.227 1.00 0.00 C ATOM 121 O SER A 8 -2.580 6.110 6.079 1.00 0.00 O ATOM 122 CB SER A 8 -1.480 2.870 6.427 1.00 0.00 C ATOM 123 OG SER A 8 -0.411 2.182 5.798 1.00 0.00 O ATOM 0 H SER A 8 -0.841 5.317 4.802 1.00 0.00 H new ATOM 0 HA SER A 8 -2.902 3.277 4.868 1.00 0.00 H new ATOM 0 HB2 SER A 8 -1.104 3.426 7.285 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.206 2.151 6.807 1.00 0.00 H new ATOM 0 HG SER A 8 0.012 1.576 6.442 1.00 0.00 H new ATOM 129 N THR A 9 -3.849 4.528 7.053 1.00 0.00 N ATOM 130 CA THR A 9 -4.615 5.479 7.851 1.00 0.00 C ATOM 131 C THR A 9 -4.573 5.106 9.330 1.00 0.00 C ATOM 132 O THR A 9 -5.231 4.159 9.760 1.00 0.00 O ATOM 133 CB THR A 9 -6.065 5.532 7.367 1.00 0.00 C ATOM 134 OG1 THR A 9 -6.825 6.428 8.158 1.00 0.00 O ATOM 135 CG2 THR A 9 -6.758 4.187 7.404 1.00 0.00 C ATOM 0 H THR A 9 -4.116 3.553 7.188 1.00 0.00 H new ATOM 0 HA THR A 9 -4.163 6.464 7.730 1.00 0.00 H new ATOM 0 HB THR A 9 -6.011 5.867 6.331 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.246 5.938 8.895 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.783 4.296 7.048 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.224 3.485 6.764 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.767 3.810 8.427 1.00 0.00 H new ATOM 143 N SER A 10 -3.795 5.858 10.102 1.00 0.00 N ATOM 144 CA SER A 10 -3.667 5.607 11.534 1.00 0.00 C ATOM 145 C SER A 10 -5.026 5.673 12.224 1.00 0.00 C ATOM 146 O SER A 10 -5.328 4.863 13.100 1.00 0.00 O ATOM 147 CB SER A 10 -2.712 6.620 12.167 1.00 0.00 C ATOM 148 OG SER A 10 -2.221 6.151 13.411 1.00 0.00 O ATOM 0 H SER A 10 -3.244 6.646 9.761 1.00 0.00 H new ATOM 0 HA SER A 10 -3.262 4.604 11.665 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.878 6.809 11.491 1.00 0.00 H new ATOM 0 HB3 SER A 10 -3.227 7.570 12.311 1.00 0.00 H new ATOM 0 HG SER A 10 -1.612 6.816 13.794 1.00 0.00 H new ATOM 154 N VAL A 11 -5.842 6.642 11.823 1.00 0.00 N ATOM 155 CA VAL A 11 -7.168 6.813 12.403 1.00 0.00 C ATOM 156 C VAL A 11 -8.222 6.071 11.589 1.00 0.00 C ATOM 157 O VAL A 11 -8.409 6.342 10.402 1.00 0.00 O ATOM 158 CB VAL A 11 -7.557 8.301 12.490 1.00 0.00 C ATOM 159 CG1 VAL A 11 -8.847 8.471 13.278 1.00 0.00 C ATOM 160 CG2 VAL A 11 -6.431 9.111 13.115 1.00 0.00 C ATOM 0 H VAL A 11 -5.608 7.321 11.099 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.129 6.397 13.410 1.00 0.00 H new ATOM 0 HB VAL A 11 -7.725 8.674 11.479 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.106 9.529 13.329 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -9.650 7.924 12.784 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.711 8.082 14.287 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.723 10.160 13.168 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.229 8.739 14.119 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.532 9.016 12.505 1.00 0.00 H new ATOM 170 N THR A 12 -8.909 5.133 12.233 1.00 0.00 N ATOM 171 CA THR A 12 -9.944 4.351 11.568 1.00 0.00 C ATOM 172 C THR A 12 -11.282 5.083 11.593 1.00 0.00 C ATOM 173 O THR A 12 -11.665 5.662 12.610 1.00 0.00 O ATOM 174 CB THR A 12 -10.087 2.982 12.236 1.00 0.00 C ATOM 175 OG1 THR A 12 -10.766 3.097 13.474 1.00 0.00 O ATOM 176 CG2 THR A 12 -8.760 2.304 12.501 1.00 0.00 C ATOM 0 H THR A 12 -8.767 4.896 13.215 1.00 0.00 H new ATOM 0 HA THR A 12 -9.646 4.212 10.529 1.00 0.00 H new ATOM 0 HB THR A 12 -10.653 2.374 11.530 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.181 2.790 14.198 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.933 1.338 12.976 1.00 0.00 H new ATOM 0 HG22 THR A 12 -8.233 2.156 11.559 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.157 2.929 13.160 1.00 0.00 H new ATOM 184 N GLY A 13 -11.988 5.053 10.467 1.00 0.00 N ATOM 185 CA GLY A 13 -13.275 5.717 10.380 1.00 0.00 C ATOM 186 C GLY A 13 -14.398 4.760 10.030 1.00 0.00 C ATOM 187 O GLY A 13 -15.508 4.878 10.549 1.00 0.00 O ATOM 0 H GLY A 13 -11.691 4.580 9.613 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -13.496 6.200 11.332 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -13.224 6.504 9.627 1.00 0.00 H new ATOM 191 N SER A 14 -14.109 3.809 9.147 1.00 0.00 N ATOM 192 CA SER A 14 -15.102 2.828 8.728 1.00 0.00 C ATOM 193 C SER A 14 -14.851 1.479 9.397 1.00 0.00 C ATOM 194 O SER A 14 -14.112 1.391 10.378 1.00 0.00 O ATOM 195 CB SER A 14 -15.082 2.672 7.205 1.00 0.00 C ATOM 196 OG SER A 14 -14.695 3.880 6.573 1.00 0.00 O ATOM 0 H SER A 14 -13.195 3.698 8.708 1.00 0.00 H new ATOM 0 HA SER A 14 -16.085 3.185 9.036 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.392 1.875 6.927 1.00 0.00 H new ATOM 0 HB3 SER A 14 -16.070 2.375 6.854 1.00 0.00 H new ATOM 0 HG SER A 14 -14.688 3.753 5.601 1.00 0.00 H new ATOM 202 N ARG A 15 -15.469 0.430 8.861 1.00 0.00 N ATOM 203 CA ARG A 15 -15.311 -0.915 9.409 1.00 0.00 C ATOM 204 C ARG A 15 -14.486 -1.798 8.490 1.00 0.00 C ATOM 205 O ARG A 15 -14.024 -2.873 8.874 1.00 0.00 O ATOM 206 CB ARG A 15 -16.676 -1.551 9.648 1.00 0.00 C ATOM 207 CG ARG A 15 -17.516 -0.824 10.685 1.00 0.00 C ATOM 208 CD ARG A 15 -18.468 -1.772 11.395 1.00 0.00 C ATOM 209 NE ARG A 15 -19.717 -1.949 10.657 1.00 0.00 N ATOM 210 CZ ARG A 15 -20.627 -2.874 10.953 1.00 0.00 C ATOM 211 NH1 ARG A 15 -20.432 -3.707 11.968 1.00 0.00 N ATOM 212 NH2 ARG A 15 -21.736 -2.967 10.231 1.00 0.00 N ATOM 0 H ARG A 15 -16.083 0.485 8.049 1.00 0.00 H new ATOM 0 HA ARG A 15 -14.781 -0.825 10.357 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.223 -1.580 8.706 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -16.535 -2.584 9.967 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -16.862 -0.348 11.416 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -18.085 -0.030 10.202 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -17.984 -2.740 11.527 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.687 -1.387 12.391 1.00 0.00 H new ATOM 0 HE ARG A 15 -19.902 -1.328 9.870 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.581 -3.640 12.526 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -21.133 -4.414 12.190 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -21.891 -2.330 9.450 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -22.434 -3.676 10.457 1.00 0.00 H new ATOM 226 N GLU A 16 -14.310 -1.322 7.283 1.00 0.00 N ATOM 227 CA GLU A 16 -13.539 -2.032 6.270 1.00 0.00 C ATOM 228 C GLU A 16 -12.134 -1.451 6.165 1.00 0.00 C ATOM 229 O GLU A 16 -11.175 -2.163 5.868 1.00 0.00 O ATOM 230 CB GLU A 16 -14.241 -1.951 4.913 1.00 0.00 C ATOM 231 CG GLU A 16 -15.640 -2.544 4.916 1.00 0.00 C ATOM 232 CD GLU A 16 -16.716 -1.498 5.132 1.00 0.00 C ATOM 233 OE1 GLU A 16 -17.023 -1.195 6.304 1.00 0.00 O ATOM 234 OE2 GLU A 16 -17.252 -0.982 4.129 1.00 0.00 O ATOM 0 H GLU A 16 -14.694 -0.432 6.966 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.464 -3.078 6.566 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.298 -0.907 4.605 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.637 -2.470 4.169 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -15.817 -3.052 3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.709 -3.298 5.700 1.00 0.00 H new ATOM 241 N ILE A 17 -12.024 -0.151 6.416 1.00 0.00 N ATOM 242 CA ILE A 17 -10.741 0.537 6.357 1.00 0.00 C ATOM 243 C ILE A 17 -9.745 -0.081 7.334 1.00 0.00 C ATOM 244 O ILE A 17 -8.538 -0.077 7.091 1.00 0.00 O ATOM 245 CB ILE A 17 -10.902 2.038 6.673 1.00 0.00 C ATOM 246 CG1 ILE A 17 -11.886 2.682 5.695 1.00 0.00 C ATOM 247 CG2 ILE A 17 -9.556 2.747 6.619 1.00 0.00 C ATOM 248 CD1 ILE A 17 -11.403 2.681 4.261 1.00 0.00 C ATOM 0 H ILE A 17 -12.811 0.449 6.663 1.00 0.00 H new ATOM 0 HA ILE A 17 -10.360 0.427 5.342 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.299 2.137 7.683 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.838 2.153 5.749 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.074 3.710 6.006 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.693 3.805 6.845 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.882 2.304 7.352 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -9.129 2.641 5.622 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.151 3.153 3.625 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -10.467 3.235 4.192 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -11.242 1.654 3.932 1.00 0.00 H new ATOM 260 N LYS A 18 -10.259 -0.613 8.438 1.00 0.00 N ATOM 261 CA LYS A 18 -9.415 -1.235 9.451 1.00 0.00 C ATOM 262 C LYS A 18 -8.779 -2.515 8.917 1.00 0.00 C ATOM 263 O LYS A 18 -7.638 -2.839 9.249 1.00 0.00 O ATOM 264 CB LYS A 18 -10.232 -1.543 10.708 1.00 0.00 C ATOM 265 CG LYS A 18 -10.206 -0.428 11.740 1.00 0.00 C ATOM 266 CD LYS A 18 -11.547 -0.285 12.442 1.00 0.00 C ATOM 267 CE LYS A 18 -11.373 -0.009 13.927 1.00 0.00 C ATOM 268 NZ LYS A 18 -12.386 -0.728 14.748 1.00 0.00 N ATOM 0 H LYS A 18 -11.256 -0.626 8.654 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.620 -0.534 9.706 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.266 -1.737 10.421 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.851 -2.457 11.164 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.429 -0.631 12.477 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.947 0.513 11.254 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.114 0.526 11.984 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -12.129 -1.197 12.306 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.373 -0.311 14.238 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.453 1.063 14.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -12.233 -0.514 15.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.340 -0.421 14.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -12.294 -1.752 14.595 1.00 0.00 H new ATOM 282 N SER A 19 -9.525 -3.240 8.090 1.00 0.00 N ATOM 283 CA SER A 19 -9.035 -4.485 7.510 1.00 0.00 C ATOM 284 C SER A 19 -8.180 -4.214 6.276 1.00 0.00 C ATOM 285 O SER A 19 -7.262 -4.974 5.966 1.00 0.00 O ATOM 286 CB SER A 19 -10.208 -5.396 7.142 1.00 0.00 C ATOM 287 OG SER A 19 -11.264 -5.272 8.078 1.00 0.00 O ATOM 0 H SER A 19 -10.471 -2.987 7.806 1.00 0.00 H new ATOM 0 HA SER A 19 -8.415 -4.984 8.255 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.570 -5.143 6.145 1.00 0.00 H new ATOM 0 HB3 SER A 19 -9.870 -6.432 7.105 1.00 0.00 H new ATOM 0 HG SER A 19 -12.002 -5.863 7.819 1.00 0.00 H new ATOM 293 N GLN A 20 -8.487 -3.128 5.574 1.00 0.00 N ATOM 294 CA GLN A 20 -7.746 -2.760 4.373 1.00 0.00 C ATOM 295 C GLN A 20 -6.293 -2.437 4.706 1.00 0.00 C ATOM 296 O GLN A 20 -5.397 -2.650 3.890 1.00 0.00 O ATOM 297 CB GLN A 20 -8.408 -1.560 3.690 1.00 0.00 C ATOM 298 CG GLN A 20 -9.123 -1.915 2.396 1.00 0.00 C ATOM 299 CD GLN A 20 -10.343 -2.786 2.625 1.00 0.00 C ATOM 300 OE1 GLN A 20 -10.226 -3.988 2.865 1.00 0.00 O ATOM 301 NE2 GLN A 20 -11.524 -2.183 2.552 1.00 0.00 N ATOM 0 H GLN A 20 -9.243 -2.488 5.816 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.760 -3.610 3.691 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -9.123 -1.109 4.379 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.648 -0.807 3.481 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.425 -0.999 1.889 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -8.430 -2.433 1.733 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.575 -1.184 2.351 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.380 -2.718 2.697 1.00 0.00 H new ATOM 310 N GLN A 21 -6.066 -1.919 5.909 1.00 0.00 N ATOM 311 CA GLN A 21 -4.720 -1.566 6.347 1.00 0.00 C ATOM 312 C GLN A 21 -4.083 -2.707 7.135 1.00 0.00 C ATOM 313 O GLN A 21 -2.865 -2.878 7.122 1.00 0.00 O ATOM 314 CB GLN A 21 -4.756 -0.298 7.203 1.00 0.00 C ATOM 315 CG GLN A 21 -5.696 -0.395 8.394 1.00 0.00 C ATOM 316 CD GLN A 21 -5.077 0.141 9.671 1.00 0.00 C ATOM 317 OE1 GLN A 21 -4.295 -0.543 10.330 1.00 0.00 O ATOM 318 NE2 GLN A 21 -5.426 1.372 10.026 1.00 0.00 N ATOM 0 H GLN A 21 -6.796 -1.735 6.597 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.115 -1.382 5.459 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.749 -0.083 7.562 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.059 0.543 6.579 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.609 0.159 8.177 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.982 -1.436 8.543 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -6.078 1.904 9.449 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.042 1.786 10.875 1.00 0.00 H new ATOM 327 N SER A 22 -4.915 -3.484 7.821 1.00 0.00 N ATOM 328 CA SER A 22 -4.432 -4.607 8.616 1.00 0.00 C ATOM 329 C SER A 22 -3.907 -5.725 7.720 1.00 0.00 C ATOM 330 O SER A 22 -2.954 -6.420 8.071 1.00 0.00 O ATOM 331 CB SER A 22 -5.548 -5.140 9.515 1.00 0.00 C ATOM 332 OG SER A 22 -6.462 -5.934 8.778 1.00 0.00 O ATOM 0 H SER A 22 -5.927 -3.356 7.842 1.00 0.00 H new ATOM 0 HA SER A 22 -3.611 -4.251 9.239 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.117 -5.731 10.323 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.076 -4.306 9.977 1.00 0.00 H new ATOM 0 HG SER A 22 -7.165 -6.264 9.376 1.00 0.00 H new ATOM 338 N GLU A 23 -4.537 -5.894 6.561 1.00 0.00 N ATOM 339 CA GLU A 23 -4.134 -6.929 5.617 1.00 0.00 C ATOM 340 C GLU A 23 -2.759 -6.627 5.027 1.00 0.00 C ATOM 341 O GLU A 23 -1.839 -7.439 5.125 1.00 0.00 O ATOM 342 CB GLU A 23 -5.167 -7.056 4.495 1.00 0.00 C ATOM 343 CG GLU A 23 -5.426 -8.491 4.066 1.00 0.00 C ATOM 344 CD GLU A 23 -6.182 -9.285 5.113 1.00 0.00 C ATOM 345 OE1 GLU A 23 -5.530 -9.835 6.026 1.00 0.00 O ATOM 346 OE2 GLU A 23 -7.425 -9.357 5.021 1.00 0.00 O ATOM 0 H GLU A 23 -5.328 -5.328 6.254 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.076 -7.874 6.158 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.105 -6.609 4.824 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -4.826 -6.484 3.632 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.993 -8.491 3.135 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.475 -8.982 3.860 1.00 0.00 H new ATOM 353 N VAL A 24 -2.628 -5.456 4.413 1.00 0.00 N ATOM 354 CA VAL A 24 -1.366 -5.047 3.807 1.00 0.00 C ATOM 355 C VAL A 24 -0.244 -5.011 4.838 1.00 0.00 C ATOM 356 O VAL A 24 0.917 -5.263 4.516 1.00 0.00 O ATOM 357 CB VAL A 24 -1.483 -3.661 3.146 1.00 0.00 C ATOM 358 CG1 VAL A 24 -0.228 -3.340 2.349 1.00 0.00 C ATOM 359 CG2 VAL A 24 -2.718 -3.595 2.260 1.00 0.00 C ATOM 0 H VAL A 24 -3.380 -4.773 4.322 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.130 -5.788 3.043 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.587 -2.912 3.931 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.330 -2.357 1.890 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.636 -3.342 3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.089 -4.091 1.571 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.784 -2.608 1.801 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.648 -4.354 1.481 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.608 -3.776 2.863 1.00 0.00 H new ATOM 369 N THR A 25 -0.597 -4.694 6.079 1.00 0.00 N ATOM 370 CA THR A 25 0.382 -4.623 7.158 1.00 0.00 C ATOM 371 C THR A 25 0.695 -6.013 7.705 1.00 0.00 C ATOM 372 O THR A 25 1.800 -6.266 8.186 1.00 0.00 O ATOM 373 CB THR A 25 -0.133 -3.724 8.283 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.504 -2.453 7.779 1.00 0.00 O ATOM 375 CG2 THR A 25 0.880 -3.503 9.384 1.00 0.00 C ATOM 0 H THR A 25 -1.554 -4.482 6.363 1.00 0.00 H new ATOM 0 HA THR A 25 1.300 -4.198 6.753 1.00 0.00 H new ATOM 0 HB THR A 25 -0.991 -4.249 8.702 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.307 -2.543 7.225 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.450 -2.857 10.149 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.150 -4.461 9.828 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.771 -3.031 8.969 1.00 0.00 H new ATOM 383 N ARG A 26 -0.284 -6.909 7.631 1.00 0.00 N ATOM 384 CA ARG A 26 -0.111 -8.272 8.121 1.00 0.00 C ATOM 385 C ARG A 26 0.870 -9.046 7.245 1.00 0.00 C ATOM 386 O ARG A 26 1.791 -9.690 7.748 1.00 0.00 O ATOM 387 CB ARG A 26 -1.459 -8.995 8.164 1.00 0.00 C ATOM 388 CG ARG A 26 -2.097 -9.008 9.543 1.00 0.00 C ATOM 389 CD ARG A 26 -3.614 -9.071 9.455 1.00 0.00 C ATOM 390 NE ARG A 26 -4.080 -10.365 8.960 1.00 0.00 N ATOM 391 CZ ARG A 26 -5.363 -10.710 8.883 1.00 0.00 C ATOM 392 NH1 ARG A 26 -6.310 -9.863 9.265 1.00 0.00 N ATOM 393 NH2 ARG A 26 -5.700 -11.907 8.421 1.00 0.00 N ATOM 0 H ARG A 26 -1.205 -6.716 7.237 1.00 0.00 H new ATOM 0 HA ARG A 26 0.297 -8.220 9.130 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.141 -8.517 7.461 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.322 -10.022 7.826 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.728 -9.865 10.107 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.800 -8.114 10.091 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.042 -8.884 10.440 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.972 -8.280 8.796 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.381 -11.043 8.656 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -6.057 -8.941 9.620 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -7.291 -10.134 9.203 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -4.976 -12.562 8.125 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.683 -12.172 8.362 1.00 0.00 H new ATOM 407 N ILE A 27 0.666 -8.979 5.934 1.00 0.00 N ATOM 408 CA ILE A 27 1.532 -9.675 4.989 1.00 0.00 C ATOM 409 C ILE A 27 2.900 -9.005 4.899 1.00 0.00 C ATOM 410 O ILE A 27 3.933 -9.669 4.981 1.00 0.00 O ATOM 411 CB ILE A 27 0.903 -9.729 3.584 1.00 0.00 C ATOM 412 CG1 ILE A 27 -0.532 -10.255 3.665 1.00 0.00 C ATOM 413 CG2 ILE A 27 1.740 -10.600 2.660 1.00 0.00 C ATOM 414 CD1 ILE A 27 -1.266 -10.213 2.343 1.00 0.00 C ATOM 0 H ILE A 27 -0.091 -8.450 5.501 1.00 0.00 H new ATOM 0 HA ILE A 27 1.654 -10.692 5.362 1.00 0.00 H new ATOM 0 HB ILE A 27 0.879 -8.719 3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.514 -11.282 4.029 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.085 -9.667 4.397 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.281 -10.627 1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.746 -10.187 2.582 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.794 -11.611 3.063 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.276 -10.600 2.475 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.316 -9.184 1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.736 -10.824 1.613 1.00 0.00 H new ATOM 426 N LEU A 28 2.898 -7.687 4.730 1.00 0.00 N ATOM 427 CA LEU A 28 4.140 -6.928 4.629 1.00 0.00 C ATOM 428 C LEU A 28 4.993 -7.113 5.881 1.00 0.00 C ATOM 429 O LEU A 28 6.208 -7.299 5.797 1.00 0.00 O ATOM 430 CB LEU A 28 3.839 -5.443 4.418 1.00 0.00 C ATOM 431 CG LEU A 28 3.241 -5.092 3.054 1.00 0.00 C ATOM 432 CD1 LEU A 28 2.786 -3.641 3.028 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.251 -5.356 1.947 1.00 0.00 C ATOM 0 H LEU A 28 2.051 -7.122 4.660 1.00 0.00 H new ATOM 0 HA LEU A 28 4.698 -7.304 3.771 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.150 -5.113 5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.762 -4.878 4.549 1.00 0.00 H new ATOM 0 HG LEU A 28 2.371 -5.727 2.885 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.364 -3.410 2.050 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.030 -3.483 3.797 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.638 -2.989 3.218 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.810 -5.101 0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.139 -4.746 2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.529 -6.410 1.951 1.00 0.00 H new ATOM 445 N ASP A 29 4.346 -7.064 7.041 1.00 0.00 N ATOM 446 CA ASP A 29 5.040 -7.231 8.312 1.00 0.00 C ATOM 447 C ASP A 29 5.353 -8.702 8.564 1.00 0.00 C ATOM 448 O ASP A 29 6.434 -9.044 9.043 1.00 0.00 O ATOM 449 CB ASP A 29 4.194 -6.673 9.458 1.00 0.00 C ATOM 450 CG ASP A 29 5.008 -6.437 10.716 1.00 0.00 C ATOM 451 OD1 ASP A 29 5.499 -7.426 11.299 1.00 0.00 O ATOM 452 OD2 ASP A 29 5.153 -5.264 11.117 1.00 0.00 O ATOM 0 H ASP A 29 3.341 -6.910 7.127 1.00 0.00 H new ATOM 0 HA ASP A 29 5.978 -6.678 8.264 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.735 -5.735 9.144 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.383 -7.367 9.678 1.00 0.00 H new ATOM 457 N GLY A 30 4.399 -9.568 8.235 1.00 0.00 N ATOM 458 CA GLY A 30 4.593 -10.993 8.428 1.00 0.00 C ATOM 459 C GLY A 30 5.801 -11.514 7.675 1.00 0.00 C ATOM 460 O GLY A 30 6.432 -12.485 8.094 1.00 0.00 O ATOM 0 H GLY A 30 3.496 -9.308 7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.712 -11.201 9.491 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.702 -11.527 8.097 1.00 0.00 H new ATOM 464 N LYS A 31 6.126 -10.863 6.563 1.00 0.00 N ATOM 465 CA LYS A 31 7.269 -11.259 5.750 1.00 0.00 C ATOM 466 C LYS A 31 8.563 -10.638 6.277 1.00 0.00 C ATOM 467 O LYS A 31 9.646 -10.915 5.763 1.00 0.00 O ATOM 468 CB LYS A 31 7.051 -10.850 4.292 1.00 0.00 C ATOM 469 CG LYS A 31 6.190 -11.827 3.509 1.00 0.00 C ATOM 470 CD LYS A 31 5.385 -11.122 2.429 1.00 0.00 C ATOM 471 CE LYS A 31 6.003 -11.319 1.055 1.00 0.00 C ATOM 472 NZ LYS A 31 6.964 -10.234 0.716 1.00 0.00 N ATOM 0 H LYS A 31 5.613 -10.058 6.204 1.00 0.00 H new ATOM 0 HA LYS A 31 7.361 -12.344 5.808 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.584 -9.865 4.265 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.019 -10.757 3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.824 -12.587 3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.513 -12.343 4.190 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.364 -11.503 2.428 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.327 -10.057 2.654 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.515 -12.281 1.022 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.214 -11.352 0.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.324 -10.378 -0.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.482 -9.314 0.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.758 -10.251 1.388 1.00 0.00 H new ATOM 486 N ARG A 32 8.444 -9.796 7.304 1.00 0.00 N ATOM 487 CA ARG A 32 9.605 -9.141 7.895 1.00 0.00 C ATOM 488 C ARG A 32 10.294 -8.232 6.881 1.00 0.00 C ATOM 489 O ARG A 32 11.519 -8.233 6.762 1.00 0.00 O ATOM 490 CB ARG A 32 10.596 -10.183 8.422 1.00 0.00 C ATOM 491 CG ARG A 32 10.056 -11.005 9.581 1.00 0.00 C ATOM 492 CD ARG A 32 9.306 -12.236 9.094 1.00 0.00 C ATOM 493 NE ARG A 32 9.809 -13.462 9.711 1.00 0.00 N ATOM 494 CZ ARG A 32 10.912 -14.093 9.314 1.00 0.00 C ATOM 495 NH1 ARG A 32 11.632 -13.617 8.306 1.00 0.00 N ATOM 496 NH2 ARG A 32 11.298 -15.203 9.929 1.00 0.00 N ATOM 0 H ARG A 32 7.555 -9.553 7.742 1.00 0.00 H new ATOM 0 HA ARG A 32 9.258 -8.529 8.727 1.00 0.00 H new ATOM 0 HB2 ARG A 32 10.871 -10.854 7.609 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.508 -9.677 8.740 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.880 -11.312 10.225 1.00 0.00 H new ATOM 0 HG3 ARG A 32 9.391 -10.389 10.186 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.245 -12.126 9.318 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.397 -12.311 8.010 1.00 0.00 H new ATOM 0 HE ARG A 32 9.284 -13.857 10.491 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.341 -12.763 7.830 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.476 -14.105 8.007 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.750 -15.573 10.706 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.143 -15.687 9.625 1.00 0.00 H new ATOM 510 N ILE A 33 9.498 -7.452 6.156 1.00 0.00 N ATOM 511 CA ILE A 33 10.030 -6.537 5.159 1.00 0.00 C ATOM 512 C ILE A 33 10.344 -5.182 5.779 1.00 0.00 C ATOM 513 O ILE A 33 9.818 -4.830 6.835 1.00 0.00 O ATOM 514 CB ILE A 33 9.046 -6.341 3.989 1.00 0.00 C ATOM 515 CG1 ILE A 33 8.594 -7.695 3.442 1.00 0.00 C ATOM 516 CG2 ILE A 33 9.687 -5.506 2.889 1.00 0.00 C ATOM 517 CD1 ILE A 33 7.661 -7.587 2.255 1.00 0.00 C ATOM 0 H ILE A 33 8.482 -7.437 6.242 1.00 0.00 H new ATOM 0 HA ILE A 33 10.948 -6.983 4.775 1.00 0.00 H new ATOM 0 HB ILE A 33 8.170 -5.808 4.358 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.472 -8.272 3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.095 -8.250 4.236 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.979 -5.377 2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.963 -4.530 3.287 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.579 -6.013 2.521 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.381 -8.586 1.920 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.765 -7.038 2.545 1.00 0.00 H new ATOM 0 HD13 ILE A 33 8.163 -7.060 1.444 1.00 0.00 H new ATOM 529 N GLN A 34 11.203 -4.428 5.111 1.00 0.00 N ATOM 530 CA GLN A 34 11.596 -3.105 5.585 1.00 0.00 C ATOM 531 C GLN A 34 10.811 -2.016 4.861 1.00 0.00 C ATOM 532 O GLN A 34 11.310 -0.911 4.651 1.00 0.00 O ATOM 533 CB GLN A 34 13.096 -2.890 5.378 1.00 0.00 C ATOM 534 CG GLN A 34 13.542 -3.059 3.934 1.00 0.00 C ATOM 535 CD GLN A 34 14.459 -4.252 3.740 1.00 0.00 C ATOM 536 OE1 GLN A 34 15.438 -4.182 2.997 1.00 0.00 O ATOM 537 NE2 GLN A 34 14.144 -5.355 4.409 1.00 0.00 N ATOM 0 H GLN A 34 11.644 -4.709 4.235 1.00 0.00 H new ATOM 0 HA GLN A 34 11.372 -3.046 6.650 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.361 -1.888 5.716 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.645 -3.594 6.004 1.00 0.00 H new ATOM 0 HG2 GLN A 34 12.664 -3.174 3.298 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.056 -2.154 3.608 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.323 -5.368 5.014 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.723 -6.190 4.318 1.00 0.00 H new ATOM 546 N TYR A 35 9.580 -2.339 4.482 1.00 0.00 N ATOM 547 CA TYR A 35 8.720 -1.394 3.779 1.00 0.00 C ATOM 548 C TYR A 35 8.421 -0.172 4.644 1.00 0.00 C ATOM 549 O TYR A 35 8.347 -0.269 5.869 1.00 0.00 O ATOM 550 CB TYR A 35 7.412 -2.077 3.366 1.00 0.00 C ATOM 551 CG TYR A 35 6.484 -2.374 4.525 1.00 0.00 C ATOM 552 CD1 TYR A 35 6.712 -3.457 5.365 1.00 0.00 C ATOM 553 CD2 TYR A 35 5.382 -1.568 4.779 1.00 0.00 C ATOM 554 CE1 TYR A 35 5.867 -3.728 6.425 1.00 0.00 C ATOM 555 CE2 TYR A 35 4.533 -1.832 5.837 1.00 0.00 C ATOM 556 CZ TYR A 35 4.780 -2.913 6.656 1.00 0.00 C ATOM 557 OH TYR A 35 3.937 -3.179 7.710 1.00 0.00 O ATOM 0 H TYR A 35 9.154 -3.250 4.650 1.00 0.00 H new ATOM 0 HA TYR A 35 9.247 -1.058 2.886 1.00 0.00 H new ATOM 0 HB2 TYR A 35 6.891 -1.441 2.650 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.647 -3.009 2.853 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.563 -4.097 5.187 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.185 -0.721 4.139 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.058 -4.574 7.069 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.681 -1.195 6.021 1.00 0.00 H new ATOM 0 HH TYR A 35 3.802 -2.363 8.235 1.00 0.00 H new ATOM 567 N GLN A 36 8.242 0.974 3.995 1.00 0.00 N ATOM 568 CA GLN A 36 7.941 2.214 4.698 1.00 0.00 C ATOM 569 C GLN A 36 6.462 2.270 5.065 1.00 0.00 C ATOM 570 O GLN A 36 5.706 1.346 4.767 1.00 0.00 O ATOM 571 CB GLN A 36 8.314 3.418 3.830 1.00 0.00 C ATOM 572 CG GLN A 36 9.055 4.508 4.585 1.00 0.00 C ATOM 573 CD GLN A 36 10.507 4.156 4.840 1.00 0.00 C ATOM 574 OE1 GLN A 36 10.822 3.053 5.287 1.00 0.00 O ATOM 575 NE2 GLN A 36 11.402 5.096 4.558 1.00 0.00 N ATOM 0 H GLN A 36 8.301 1.069 2.981 1.00 0.00 H new ATOM 0 HA GLN A 36 8.530 2.245 5.615 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.933 3.078 3.000 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.406 3.840 3.399 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.004 5.437 4.017 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.556 4.689 5.537 1.00 0.00 H new ATOM 0 HE21 GLN A 36 11.097 5.997 4.189 1.00 0.00 H new ATOM 0 HE22 GLN A 36 12.395 4.917 4.710 1.00 0.00 H new ATOM 584 N LEU A 37 6.053 3.356 5.709 1.00 0.00 N ATOM 585 CA LEU A 37 4.669 3.524 6.106 1.00 0.00 C ATOM 586 C LEU A 37 4.271 4.980 5.994 1.00 0.00 C ATOM 587 O LEU A 37 4.233 5.709 6.986 1.00 0.00 O ATOM 588 CB LEU A 37 4.467 3.033 7.533 1.00 0.00 C ATOM 589 CG LEU A 37 3.038 2.619 7.883 1.00 0.00 C ATOM 590 CD1 LEU A 37 2.974 2.067 9.299 1.00 0.00 C ATOM 591 CD2 LEU A 37 2.088 3.797 7.726 1.00 0.00 C ATOM 0 H LEU A 37 6.664 4.132 5.966 1.00 0.00 H new ATOM 0 HA LEU A 37 4.038 2.934 5.441 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.127 2.182 7.704 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.778 3.821 8.219 1.00 0.00 H new ATOM 0 HG LEU A 37 2.729 1.833 7.194 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.949 1.777 9.531 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.624 1.196 9.380 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.303 2.832 10.003 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.075 3.484 7.979 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.396 4.604 8.391 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.112 4.149 6.695 1.00 0.00 H new ATOM 603 N VAL A 38 3.976 5.397 4.777 1.00 0.00 N ATOM 604 CA VAL A 38 3.578 6.772 4.531 1.00 0.00 C ATOM 605 C VAL A 38 2.120 6.964 4.907 1.00 0.00 C ATOM 606 O VAL A 38 1.231 6.970 4.056 1.00 0.00 O ATOM 607 CB VAL A 38 3.792 7.190 3.060 1.00 0.00 C ATOM 608 CG1 VAL A 38 5.240 7.594 2.829 1.00 0.00 C ATOM 609 CG2 VAL A 38 3.387 6.074 2.108 1.00 0.00 C ATOM 0 H VAL A 38 4.004 4.807 3.946 1.00 0.00 H new ATOM 0 HA VAL A 38 4.211 7.407 5.150 1.00 0.00 H new ATOM 0 HB VAL A 38 3.154 8.050 2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.375 7.886 1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.491 8.434 3.477 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.893 6.752 3.057 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.549 6.397 1.079 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.989 5.188 2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.333 5.837 2.253 1.00 0.00 H new ATOM 619 N ASP A 39 1.887 7.110 6.202 1.00 0.00 N ATOM 620 CA ASP A 39 0.536 7.290 6.721 1.00 0.00 C ATOM 621 C ASP A 39 0.065 8.728 6.529 1.00 0.00 C ATOM 622 O ASP A 39 0.642 9.664 7.083 1.00 0.00 O ATOM 623 CB ASP A 39 0.484 6.919 8.204 1.00 0.00 C ATOM 624 CG ASP A 39 -0.814 6.231 8.582 1.00 0.00 C ATOM 625 OD1 ASP A 39 -1.886 6.846 8.401 1.00 0.00 O ATOM 626 OD2 ASP A 39 -0.758 5.078 9.058 1.00 0.00 O ATOM 0 H ASP A 39 2.616 7.108 6.916 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.130 6.631 6.164 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.322 6.264 8.442 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.603 7.820 8.806 1.00 0.00 H new ATOM 631 N ILE A 40 -0.988 8.889 5.733 1.00 0.00 N ATOM 632 CA ILE A 40 -1.547 10.206 5.452 1.00 0.00 C ATOM 633 C ILE A 40 -2.426 10.704 6.599 1.00 0.00 C ATOM 634 O ILE A 40 -2.936 11.824 6.556 1.00 0.00 O ATOM 635 CB ILE A 40 -2.379 10.190 4.155 1.00 0.00 C ATOM 636 CG1 ILE A 40 -3.514 9.171 4.265 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.492 9.876 2.958 1.00 0.00 C ATOM 638 CD1 ILE A 40 -4.620 9.388 3.256 1.00 0.00 C ATOM 0 H ILE A 40 -1.472 8.120 5.270 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.702 10.885 5.335 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.815 11.178 4.009 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.106 8.169 4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.935 9.215 5.269 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.095 9.869 2.050 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.715 10.636 2.871 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.030 8.898 3.094 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.391 8.629 3.392 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.055 10.377 3.400 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.212 9.314 2.248 1.00 0.00 H new ATOM 650 N SER A 41 -2.598 9.873 7.624 1.00 0.00 N ATOM 651 CA SER A 41 -3.413 10.241 8.776 1.00 0.00 C ATOM 652 C SER A 41 -2.593 11.052 9.773 1.00 0.00 C ATOM 653 O SER A 41 -2.444 10.668 10.933 1.00 0.00 O ATOM 654 CB SER A 41 -3.976 8.989 9.452 1.00 0.00 C ATOM 655 OG SER A 41 -5.131 9.295 10.212 1.00 0.00 O ATOM 0 H SER A 41 -2.184 8.942 7.679 1.00 0.00 H new ATOM 0 HA SER A 41 -4.244 10.855 8.427 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.222 8.243 8.696 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.217 8.549 10.099 1.00 0.00 H new ATOM 0 HG SER A 41 -5.921 8.912 9.776 1.00 0.00 H new ATOM 661 N GLN A 42 -2.056 12.173 9.307 1.00 0.00 N ATOM 662 CA GLN A 42 -1.243 13.041 10.148 1.00 0.00 C ATOM 663 C GLN A 42 -1.187 14.450 9.570 1.00 0.00 C ATOM 664 O GLN A 42 -1.506 15.426 10.249 1.00 0.00 O ATOM 665 CB GLN A 42 0.171 12.472 10.272 1.00 0.00 C ATOM 666 CG GLN A 42 0.948 13.020 11.457 1.00 0.00 C ATOM 667 CD GLN A 42 1.848 14.180 11.077 1.00 0.00 C ATOM 668 OE1 GLN A 42 2.170 14.373 9.905 1.00 0.00 O ATOM 669 NE2 GLN A 42 2.260 14.959 12.070 1.00 0.00 N ATOM 0 H GLN A 42 -2.170 12.502 8.348 1.00 0.00 H new ATOM 0 HA GLN A 42 -1.699 13.090 11.137 1.00 0.00 H new ATOM 0 HB2 GLN A 42 0.110 11.387 10.359 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.722 12.688 9.356 1.00 0.00 H new ATOM 0 HG2 GLN A 42 0.248 13.345 12.227 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.552 12.223 11.891 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.968 14.762 13.027 1.00 0.00 H new ATOM 0 HE22 GLN A 42 2.868 15.754 11.876 1.00 0.00 H new ATOM 678 N ASP A 43 -0.782 14.545 8.309 1.00 0.00 N ATOM 679 CA ASP A 43 -0.685 15.832 7.629 1.00 0.00 C ATOM 680 C ASP A 43 -1.585 15.862 6.398 1.00 0.00 C ATOM 681 O ASP A 43 -1.514 14.980 5.543 1.00 0.00 O ATOM 682 CB ASP A 43 0.763 16.111 7.224 1.00 0.00 C ATOM 683 CG ASP A 43 1.083 17.593 7.207 1.00 0.00 C ATOM 684 OD1 ASP A 43 0.349 18.367 7.856 1.00 0.00 O ATOM 685 OD2 ASP A 43 2.069 17.980 6.543 1.00 0.00 O ATOM 0 H ASP A 43 -0.515 13.745 7.735 1.00 0.00 H new ATOM 0 HA ASP A 43 -1.016 16.607 8.320 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.435 15.605 7.917 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.948 15.691 6.236 1.00 0.00 H new ATOM 690 N ASN A 44 -2.434 16.882 6.316 1.00 0.00 N ATOM 691 CA ASN A 44 -3.351 17.027 5.190 1.00 0.00 C ATOM 692 C ASN A 44 -2.598 17.039 3.861 1.00 0.00 C ATOM 693 O ASN A 44 -3.160 16.710 2.817 1.00 0.00 O ATOM 694 CB ASN A 44 -4.170 18.311 5.335 1.00 0.00 C ATOM 695 CG ASN A 44 -5.239 18.197 6.404 1.00 0.00 C ATOM 696 OD1 ASN A 44 -5.681 17.099 6.742 1.00 0.00 O ATOM 697 ND2 ASN A 44 -5.662 19.336 6.942 1.00 0.00 N ATOM 0 H ASN A 44 -2.506 17.620 7.016 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.023 16.169 5.194 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.503 19.138 5.578 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.639 18.550 4.380 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.381 19.322 7.665 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.268 20.224 6.632 1.00 0.00 H new ATOM 704 N ALA A 45 -1.326 17.422 3.906 1.00 0.00 N ATOM 705 CA ALA A 45 -0.502 17.476 2.704 1.00 0.00 C ATOM 706 C ALA A 45 -0.260 16.082 2.138 1.00 0.00 C ATOM 707 O ALA A 45 -0.084 15.914 0.931 1.00 0.00 O ATOM 708 CB ALA A 45 0.822 18.164 3.002 1.00 0.00 C ATOM 0 H ALA A 45 -0.844 17.699 4.761 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.039 18.055 1.953 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.427 18.197 2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.634 19.180 3.350 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.355 17.609 3.774 1.00 0.00 H new ATOM 714 N LEU A 46 -0.255 15.083 3.014 1.00 0.00 N ATOM 715 CA LEU A 46 -0.037 13.704 2.595 1.00 0.00 C ATOM 716 C LEU A 46 -1.222 13.191 1.785 1.00 0.00 C ATOM 717 O LEU A 46 -1.065 12.356 0.895 1.00 0.00 O ATOM 718 CB LEU A 46 0.190 12.809 3.815 1.00 0.00 C ATOM 719 CG LEU A 46 1.602 12.863 4.404 1.00 0.00 C ATOM 720 CD1 LEU A 46 1.551 12.786 5.922 1.00 0.00 C ATOM 721 CD2 LEU A 46 2.457 11.738 3.839 1.00 0.00 C ATOM 0 H LEU A 46 -0.399 15.202 4.017 1.00 0.00 H new ATOM 0 HA LEU A 46 0.851 13.676 1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.522 13.091 4.591 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.032 11.779 3.537 1.00 0.00 H new ATOM 0 HG LEU A 46 2.056 13.814 4.125 1.00 0.00 H new ATOM 0 HD11 LEU A 46 2.564 12.826 6.323 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.974 13.626 6.310 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.078 11.851 6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.458 11.791 4.268 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.006 10.778 4.088 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.521 11.839 2.756 1.00 0.00 H new ATOM 733 N ARG A 47 -2.410 13.700 2.098 1.00 0.00 N ATOM 734 CA ARG A 47 -3.624 13.297 1.399 1.00 0.00 C ATOM 735 C ARG A 47 -3.667 13.892 -0.005 1.00 0.00 C ATOM 736 O ARG A 47 -4.013 13.209 -0.970 1.00 0.00 O ATOM 737 CB ARG A 47 -4.860 13.731 2.189 1.00 0.00 C ATOM 738 CG ARG A 47 -5.968 12.689 2.206 1.00 0.00 C ATOM 739 CD ARG A 47 -6.503 12.465 3.612 1.00 0.00 C ATOM 740 NE ARG A 47 -7.840 11.877 3.602 1.00 0.00 N ATOM 741 CZ ARG A 47 -8.602 11.749 4.686 1.00 0.00 C ATOM 742 NH1 ARG A 47 -8.162 12.165 5.867 1.00 0.00 N ATOM 743 NH2 ARG A 47 -9.807 11.204 4.589 1.00 0.00 N ATOM 0 H ARG A 47 -2.557 14.393 2.832 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.620 12.210 1.313 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.566 13.953 3.215 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.248 14.655 1.761 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.780 13.010 1.554 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.590 11.748 1.806 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.823 11.811 4.158 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.529 13.415 4.146 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.212 11.545 2.712 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.236 12.585 5.947 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.750 12.065 6.694 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.150 10.883 3.684 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.391 11.106 5.420 1.00 0.00 H new ATOM 757 N ASP A 48 -3.313 15.170 -0.113 1.00 0.00 N ATOM 758 CA ASP A 48 -3.313 15.855 -1.402 1.00 0.00 C ATOM 759 C ASP A 48 -2.028 15.594 -2.175 1.00 0.00 C ATOM 760 O ASP A 48 -1.842 16.090 -3.286 1.00 0.00 O ATOM 761 CB ASP A 48 -3.521 17.357 -1.214 1.00 0.00 C ATOM 762 CG ASP A 48 -4.985 17.748 -1.245 1.00 0.00 C ATOM 763 OD1 ASP A 48 -5.747 17.266 -0.380 1.00 0.00 O ATOM 764 OD2 ASP A 48 -5.371 18.536 -2.134 1.00 0.00 O ATOM 0 H ASP A 48 -3.023 15.750 0.674 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.142 15.454 -1.985 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.086 17.665 -0.263 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.988 17.895 -1.997 1.00 0.00 H new ATOM 769 N GLU A 49 -1.154 14.806 -1.581 1.00 0.00 N ATOM 770 CA GLU A 49 0.118 14.456 -2.201 1.00 0.00 C ATOM 771 C GLU A 49 0.042 13.069 -2.829 1.00 0.00 C ATOM 772 O GLU A 49 0.723 12.781 -3.813 1.00 0.00 O ATOM 773 CB GLU A 49 1.246 14.504 -1.168 1.00 0.00 C ATOM 774 CG GLU A 49 2.607 14.132 -1.735 1.00 0.00 C ATOM 775 CD GLU A 49 3.729 14.328 -0.734 1.00 0.00 C ATOM 776 OE1 GLU A 49 3.904 15.468 -0.254 1.00 0.00 O ATOM 777 OE2 GLU A 49 4.432 13.342 -0.430 1.00 0.00 O ATOM 0 H GLU A 49 -1.300 14.390 -0.661 1.00 0.00 H new ATOM 0 HA GLU A 49 0.329 15.183 -2.985 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.299 15.508 -0.747 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.006 13.827 -0.348 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.590 13.091 -2.057 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.805 14.736 -2.620 1.00 0.00 H new ATOM 784 N MET A 50 -0.794 12.212 -2.250 1.00 0.00 N ATOM 785 CA MET A 50 -0.965 10.853 -2.748 1.00 0.00 C ATOM 786 C MET A 50 -2.002 10.811 -3.866 1.00 0.00 C ATOM 787 O MET A 50 -1.813 10.133 -4.876 1.00 0.00 O ATOM 788 CB MET A 50 -1.385 9.920 -1.610 1.00 0.00 C ATOM 789 CG MET A 50 -0.721 8.554 -1.665 1.00 0.00 C ATOM 790 SD MET A 50 -1.574 7.410 -2.766 1.00 0.00 S ATOM 791 CE MET A 50 -0.185 6.581 -3.534 1.00 0.00 C ATOM 0 H MET A 50 -1.364 12.436 -1.434 1.00 0.00 H new ATOM 0 HA MET A 50 -0.010 10.516 -3.150 1.00 0.00 H new ATOM 0 HB2 MET A 50 -1.146 10.393 -0.657 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.467 9.790 -1.639 1.00 0.00 H new ATOM 0 HG2 MET A 50 0.311 8.669 -1.996 1.00 0.00 H new ATOM 0 HG3 MET A 50 -0.688 8.130 -0.661 1.00 0.00 H new ATOM 0 HE1 MET A 50 -0.526 6.043 -4.418 1.00 0.00 H new ATOM 0 HE2 MET A 50 0.564 7.318 -3.824 1.00 0.00 H new ATOM 0 HE3 MET A 50 0.254 5.877 -2.828 1.00 0.00 H new ATOM 801 N ARG A 51 -3.098 11.539 -3.677 1.00 0.00 N ATOM 802 CA ARG A 51 -4.166 11.585 -4.670 1.00 0.00 C ATOM 803 C ARG A 51 -3.640 12.073 -6.017 1.00 0.00 C ATOM 804 O ARG A 51 -4.168 11.709 -7.068 1.00 0.00 O ATOM 805 CB ARG A 51 -5.298 12.495 -4.189 1.00 0.00 C ATOM 806 CG ARG A 51 -6.469 11.741 -3.582 1.00 0.00 C ATOM 807 CD ARG A 51 -6.169 11.296 -2.160 1.00 0.00 C ATOM 808 NE ARG A 51 -7.316 10.637 -1.540 1.00 0.00 N ATOM 809 CZ ARG A 51 -8.410 11.279 -1.134 1.00 0.00 C ATOM 810 NH1 ARG A 51 -8.508 12.594 -1.279 1.00 0.00 N ATOM 811 NH2 ARG A 51 -9.408 10.603 -0.582 1.00 0.00 N ATOM 0 H ARG A 51 -3.270 12.105 -2.846 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.552 10.574 -4.799 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -4.903 13.192 -3.450 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.656 13.090 -5.029 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.354 12.377 -3.586 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -6.700 10.870 -4.196 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.318 10.615 -2.165 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.881 12.161 -1.562 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.277 9.626 -1.410 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.743 13.119 -1.703 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.348 13.080 -0.966 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.338 9.592 -0.468 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.246 11.094 -0.271 1.00 0.00 H new ATOM 825 N ALA A 52 -2.600 12.899 -5.979 1.00 0.00 N ATOM 826 CA ALA A 52 -2.007 13.437 -7.198 1.00 0.00 C ATOM 827 C ALA A 52 -0.976 12.475 -7.779 1.00 0.00 C ATOM 828 O ALA A 52 -1.095 12.040 -8.925 1.00 0.00 O ATOM 829 CB ALA A 52 -1.371 14.790 -6.921 1.00 0.00 C ATOM 0 H ALA A 52 -2.150 13.210 -5.118 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.801 13.564 -7.934 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.932 15.180 -7.839 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.131 15.482 -6.559 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.593 14.679 -6.166 1.00 0.00 H new ATOM 835 N LEU A 53 0.037 12.148 -6.983 1.00 0.00 N ATOM 836 CA LEU A 53 1.090 11.237 -7.420 1.00 0.00 C ATOM 837 C LEU A 53 0.513 9.882 -7.817 1.00 0.00 C ATOM 838 O LEU A 53 1.071 9.183 -8.663 1.00 0.00 O ATOM 839 CB LEU A 53 2.128 11.055 -6.310 1.00 0.00 C ATOM 840 CG LEU A 53 2.882 12.326 -5.914 1.00 0.00 C ATOM 841 CD1 LEU A 53 3.344 12.242 -4.467 1.00 0.00 C ATOM 842 CD2 LEU A 53 4.066 12.554 -6.841 1.00 0.00 C ATOM 0 H LEU A 53 0.151 12.500 -6.032 1.00 0.00 H new ATOM 0 HA LEU A 53 1.572 11.675 -8.294 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.627 10.658 -5.427 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.852 10.306 -6.630 1.00 0.00 H new ATOM 0 HG LEU A 53 2.203 13.174 -6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.878 13.154 -4.202 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.478 12.126 -3.815 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.007 11.385 -4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.591 13.462 -6.545 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.746 11.705 -6.778 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.711 12.659 -7.866 1.00 0.00 H new ATOM 854 N ALA A 54 -0.605 9.515 -7.200 1.00 0.00 N ATOM 855 CA ALA A 54 -1.256 8.243 -7.488 1.00 0.00 C ATOM 856 C ALA A 54 -2.070 8.304 -8.779 1.00 0.00 C ATOM 857 O ALA A 54 -2.623 7.296 -9.219 1.00 0.00 O ATOM 858 CB ALA A 54 -2.143 7.831 -6.323 1.00 0.00 C ATOM 0 H ALA A 54 -1.079 10.081 -6.497 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.475 7.495 -7.626 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.624 6.879 -6.550 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.536 7.725 -5.424 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.905 8.593 -6.159 1.00 0.00 H new ATOM 864 N GLY A 55 -2.146 9.488 -9.385 1.00 0.00 N ATOM 865 CA GLY A 55 -2.900 9.640 -10.616 1.00 0.00 C ATOM 866 C GLY A 55 -4.351 9.235 -10.456 1.00 0.00 C ATOM 867 O GLY A 55 -4.897 8.508 -11.286 1.00 0.00 O ATOM 0 H GLY A 55 -1.700 10.340 -9.046 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.849 10.678 -10.945 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.441 9.035 -11.398 1.00 0.00 H new ATOM 871 N ASN A 56 -4.977 9.708 -9.382 1.00 0.00 N ATOM 872 CA ASN A 56 -6.373 9.397 -9.103 1.00 0.00 C ATOM 873 C ASN A 56 -6.782 9.973 -7.768 1.00 0.00 C ATOM 874 O ASN A 56 -6.259 9.590 -6.721 1.00 0.00 O ATOM 875 CB ASN A 56 -6.624 7.885 -9.124 1.00 0.00 C ATOM 876 CG ASN A 56 -5.449 7.086 -8.594 1.00 0.00 C ATOM 877 OD1 ASN A 56 -4.876 6.259 -9.302 1.00 0.00 O ATOM 878 ND2 ASN A 56 -5.085 7.330 -7.340 1.00 0.00 N ATOM 0 H ASN A 56 -4.535 10.311 -8.688 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.978 9.850 -9.888 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.509 7.660 -8.528 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.839 7.571 -10.145 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.302 6.823 -6.928 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.589 8.025 -6.789 1.00 0.00 H new ATOM 885 N PRO A 57 -7.723 10.919 -7.795 1.00 0.00 N ATOM 886 CA PRO A 57 -8.213 11.578 -6.604 1.00 0.00 C ATOM 887 C PRO A 57 -9.353 10.813 -5.937 1.00 0.00 C ATOM 888 O PRO A 57 -10.177 11.395 -5.231 1.00 0.00 O ATOM 889 CB PRO A 57 -8.699 12.930 -7.137 1.00 0.00 C ATOM 890 CG PRO A 57 -8.587 12.880 -8.629 1.00 0.00 C ATOM 891 CD PRO A 57 -8.384 11.445 -8.991 1.00 0.00 C ATOM 0 HA PRO A 57 -7.449 11.656 -5.831 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -9.729 13.116 -6.834 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.096 13.743 -6.732 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -9.488 13.275 -9.099 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.753 13.489 -8.976 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -9.328 10.938 -9.192 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.766 11.333 -9.882 1.00 0.00 H new ATOM 899 N LYS A 58 -9.384 9.506 -6.159 1.00 0.00 N ATOM 900 CA LYS A 58 -10.410 8.649 -5.577 1.00 0.00 C ATOM 901 C LYS A 58 -9.782 7.432 -4.896 1.00 0.00 C ATOM 902 O LYS A 58 -10.490 6.551 -4.408 1.00 0.00 O ATOM 903 CB LYS A 58 -11.395 8.193 -6.656 1.00 0.00 C ATOM 904 CG LYS A 58 -10.770 7.296 -7.712 1.00 0.00 C ATOM 905 CD LYS A 58 -11.363 7.557 -9.089 1.00 0.00 C ATOM 906 CE LYS A 58 -10.421 8.377 -9.955 1.00 0.00 C ATOM 907 NZ LYS A 58 -10.744 8.249 -11.403 1.00 0.00 N ATOM 0 H LYS A 58 -8.707 9.013 -6.741 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.947 9.227 -4.825 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -12.220 7.661 -6.182 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.820 9.071 -7.143 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.693 7.463 -7.741 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.924 6.252 -7.441 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.577 6.608 -9.580 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.312 8.082 -8.984 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -10.478 9.425 -9.662 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.395 8.053 -9.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.079 8.823 -11.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.665 7.252 -11.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.715 8.582 -11.573 1.00 0.00 H new ATOM 921 N ALA A 59 -8.450 7.388 -4.867 1.00 0.00 N ATOM 922 CA ALA A 59 -7.731 6.280 -4.249 1.00 0.00 C ATOM 923 C ALA A 59 -8.139 6.098 -2.789 1.00 0.00 C ATOM 924 O ALA A 59 -9.129 6.668 -2.332 1.00 0.00 O ATOM 925 CB ALA A 59 -6.230 6.504 -4.357 1.00 0.00 C ATOM 0 H ALA A 59 -7.849 8.109 -5.266 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.993 5.367 -4.784 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.703 5.670 -3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.947 6.572 -5.407 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.963 7.431 -3.849 1.00 0.00 H new ATOM 931 N THR A 60 -7.365 5.297 -2.066 1.00 0.00 N ATOM 932 CA THR A 60 -7.634 5.030 -0.659 1.00 0.00 C ATOM 933 C THR A 60 -6.334 5.043 0.144 1.00 0.00 C ATOM 934 O THR A 60 -5.247 5.059 -0.431 1.00 0.00 O ATOM 935 CB THR A 60 -8.335 3.678 -0.510 1.00 0.00 C ATOM 936 OG1 THR A 60 -7.431 2.614 -0.747 1.00 0.00 O ATOM 937 CG2 THR A 60 -9.503 3.505 -1.457 1.00 0.00 C ATOM 0 H THR A 60 -6.542 4.819 -2.434 1.00 0.00 H new ATOM 0 HA THR A 60 -8.287 5.812 -0.271 1.00 0.00 H new ATOM 0 HB THR A 60 -8.708 3.657 0.514 1.00 0.00 H new ATOM 0 HG1 THR A 60 -7.926 1.770 -0.803 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.956 2.526 -1.301 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.243 4.282 -1.267 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.152 3.582 -2.486 1.00 0.00 H new ATOM 945 N PRO A 61 -6.422 5.039 1.486 1.00 0.00 N ATOM 946 CA PRO A 61 -5.237 5.053 2.348 1.00 0.00 C ATOM 947 C PRO A 61 -4.208 3.992 1.952 1.00 0.00 C ATOM 948 O PRO A 61 -3.022 4.295 1.822 1.00 0.00 O ATOM 949 CB PRO A 61 -5.805 4.768 3.739 1.00 0.00 C ATOM 950 CG PRO A 61 -7.208 5.265 3.679 1.00 0.00 C ATOM 951 CD PRO A 61 -7.673 5.023 2.268 1.00 0.00 C ATOM 0 HA PRO A 61 -4.698 5.998 2.282 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.771 3.704 3.971 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.235 5.282 4.513 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.840 4.738 4.394 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -7.258 6.325 3.930 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.193 4.069 2.175 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.365 5.797 1.935 1.00 0.00 H new ATOM 959 N PRO A 62 -4.638 2.730 1.754 1.00 0.00 N ATOM 960 CA PRO A 62 -3.727 1.645 1.372 1.00 0.00 C ATOM 961 C PRO A 62 -3.207 1.795 -0.055 1.00 0.00 C ATOM 962 O PRO A 62 -3.820 1.308 -1.004 1.00 0.00 O ATOM 963 CB PRO A 62 -4.595 0.390 1.495 1.00 0.00 C ATOM 964 CG PRO A 62 -5.989 0.874 1.299 1.00 0.00 C ATOM 965 CD PRO A 62 -6.032 2.259 1.885 1.00 0.00 C ATOM 0 HA PRO A 62 -2.835 1.626 1.998 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.325 -0.353 0.745 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.473 -0.082 2.470 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.252 0.889 0.241 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.704 0.218 1.796 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.726 2.903 1.344 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.355 2.245 2.926 1.00 0.00 H new ATOM 973 N GLN A 63 -2.069 2.468 -0.197 1.00 0.00 N ATOM 974 CA GLN A 63 -1.460 2.679 -1.507 1.00 0.00 C ATOM 975 C GLN A 63 0.033 2.371 -1.464 1.00 0.00 C ATOM 976 O GLN A 63 0.761 2.899 -0.623 1.00 0.00 O ATOM 977 CB GLN A 63 -1.683 4.120 -1.973 1.00 0.00 C ATOM 978 CG GLN A 63 -3.150 4.509 -2.064 1.00 0.00 C ATOM 979 CD GLN A 63 -3.668 4.508 -3.489 1.00 0.00 C ATOM 980 OE1 GLN A 63 -3.220 5.291 -4.326 1.00 0.00 O ATOM 981 NE2 GLN A 63 -4.620 3.626 -3.769 1.00 0.00 N ATOM 0 H GLN A 63 -1.549 2.877 0.579 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.935 2.000 -2.216 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.178 4.798 -1.285 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.219 4.253 -2.950 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.743 3.817 -1.466 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.286 5.501 -1.633 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.961 2.996 -3.043 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.010 3.578 -4.710 1.00 0.00 H new ATOM 990 N ILE A 64 0.482 1.511 -2.372 1.00 0.00 N ATOM 991 CA ILE A 64 1.887 1.129 -2.432 1.00 0.00 C ATOM 992 C ILE A 64 2.639 1.941 -3.481 1.00 0.00 C ATOM 993 O ILE A 64 2.195 2.065 -4.623 1.00 0.00 O ATOM 994 CB ILE A 64 2.049 -0.371 -2.749 1.00 0.00 C ATOM 995 CG1 ILE A 64 1.187 -1.213 -1.804 1.00 0.00 C ATOM 996 CG2 ILE A 64 3.511 -0.780 -2.646 1.00 0.00 C ATOM 997 CD1 ILE A 64 0.444 -2.332 -2.501 1.00 0.00 C ATOM 0 H ILE A 64 -0.107 1.066 -3.076 1.00 0.00 H new ATOM 0 HA ILE A 64 2.309 1.335 -1.448 1.00 0.00 H new ATOM 0 HB ILE A 64 1.713 -0.548 -3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.822 -1.638 -1.027 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.467 -0.564 -1.307 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.609 -1.842 -2.873 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.102 -0.202 -3.356 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.872 -0.590 -1.635 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.146 -2.887 -1.771 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.217 -1.913 -3.259 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.160 -3.004 -2.975 1.00 0.00 H new ATOM 1009 N VAL A 65 3.783 2.489 -3.085 1.00 0.00 N ATOM 1010 CA VAL A 65 4.607 3.286 -3.985 1.00 0.00 C ATOM 1011 C VAL A 65 6.036 2.756 -4.015 1.00 0.00 C ATOM 1012 O VAL A 65 6.600 2.400 -2.980 1.00 0.00 O ATOM 1013 CB VAL A 65 4.615 4.771 -3.568 1.00 0.00 C ATOM 1014 CG1 VAL A 65 5.505 5.601 -4.485 1.00 0.00 C ATOM 1015 CG2 VAL A 65 3.198 5.323 -3.553 1.00 0.00 C ATOM 0 H VAL A 65 4.161 2.395 -2.142 1.00 0.00 H new ATOM 0 HA VAL A 65 4.174 3.208 -4.982 1.00 0.00 H new ATOM 0 HB VAL A 65 5.027 4.835 -2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.488 6.642 -4.163 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.527 5.224 -4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.138 5.531 -5.509 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.219 6.372 -3.257 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.763 5.236 -4.549 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.595 4.758 -2.843 1.00 0.00 H new ATOM 1025 N ASN A 66 6.614 2.704 -5.208 1.00 0.00 N ATOM 1026 CA ASN A 66 7.976 2.216 -5.379 1.00 0.00 C ATOM 1027 C ASN A 66 8.966 3.376 -5.442 1.00 0.00 C ATOM 1028 O ASN A 66 9.516 3.682 -6.500 1.00 0.00 O ATOM 1029 CB ASN A 66 8.078 1.361 -6.645 1.00 0.00 C ATOM 1030 CG ASN A 66 8.810 0.055 -6.404 1.00 0.00 C ATOM 1031 OD1 ASN A 66 8.415 -0.994 -6.913 1.00 0.00 O ATOM 1032 ND2 ASN A 66 9.884 0.113 -5.625 1.00 0.00 N ATOM 0 H ASN A 66 6.159 2.995 -6.074 1.00 0.00 H new ATOM 0 HA ASN A 66 8.228 1.599 -4.516 1.00 0.00 H new ATOM 0 HB2 ASN A 66 7.076 1.149 -7.019 1.00 0.00 H new ATOM 0 HB3 ASN A 66 8.595 1.926 -7.421 1.00 0.00 H new ATOM 0 HD21 ASN A 66 10.417 -0.734 -5.428 1.00 0.00 H new ATOM 0 HD22 ASN A 66 10.176 1.004 -5.224 1.00 0.00 H new ATOM 1039 N GLY A 67 9.186 4.018 -4.301 1.00 0.00 N ATOM 1040 CA GLY A 67 10.107 5.136 -4.245 1.00 0.00 C ATOM 1041 C GLY A 67 9.448 6.452 -4.607 1.00 0.00 C ATOM 1042 O GLY A 67 9.208 7.292 -3.740 1.00 0.00 O ATOM 0 H GLY A 67 8.742 3.784 -3.413 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.525 5.207 -3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.939 4.951 -4.925 1.00 0.00 H new ATOM 1046 N ASP A 68 9.154 6.632 -5.889 1.00 0.00 N ATOM 1047 CA ASP A 68 8.519 7.856 -6.361 1.00 0.00 C ATOM 1048 C ASP A 68 7.622 7.578 -7.563 1.00 0.00 C ATOM 1049 O ASP A 68 7.596 8.349 -8.522 1.00 0.00 O ATOM 1050 CB ASP A 68 9.580 8.895 -6.730 1.00 0.00 C ATOM 1051 CG ASP A 68 9.132 10.311 -6.427 1.00 0.00 C ATOM 1052 OD1 ASP A 68 7.910 10.531 -6.294 1.00 0.00 O ATOM 1053 OD2 ASP A 68 10.003 11.200 -6.321 1.00 0.00 O ATOM 0 H ASP A 68 9.345 5.946 -6.620 1.00 0.00 H new ATOM 0 HA ASP A 68 7.900 8.248 -5.554 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.498 8.682 -6.183 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.814 8.810 -7.791 1.00 0.00 H new ATOM 1058 N GLN A 69 6.884 6.474 -7.505 1.00 0.00 N ATOM 1059 CA GLN A 69 5.985 6.102 -8.588 1.00 0.00 C ATOM 1060 C GLN A 69 4.798 5.318 -8.048 1.00 0.00 C ATOM 1061 O GLN A 69 4.832 4.816 -6.927 1.00 0.00 O ATOM 1062 CB GLN A 69 6.729 5.274 -9.638 1.00 0.00 C ATOM 1063 CG GLN A 69 6.821 5.954 -10.995 1.00 0.00 C ATOM 1064 CD GLN A 69 6.271 5.096 -12.117 1.00 0.00 C ATOM 1065 OE1 GLN A 69 5.580 5.588 -13.010 1.00 0.00 O ATOM 1066 NE2 GLN A 69 6.576 3.803 -12.078 1.00 0.00 N ATOM 0 H GLN A 69 6.892 5.823 -6.720 1.00 0.00 H new ATOM 0 HA GLN A 69 5.617 7.014 -9.058 1.00 0.00 H new ATOM 0 HB2 GLN A 69 7.736 5.064 -9.277 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.226 4.314 -9.755 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.275 6.897 -10.962 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.863 6.197 -11.206 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.152 3.437 -11.319 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.234 3.176 -12.807 1.00 0.00 H new ATOM 1075 N TYR A 70 3.751 5.210 -8.849 1.00 0.00 N ATOM 1076 CA TYR A 70 2.562 4.482 -8.435 1.00 0.00 C ATOM 1077 C TYR A 70 2.772 2.982 -8.596 1.00 0.00 C ATOM 1078 O TYR A 70 2.776 2.459 -9.711 1.00 0.00 O ATOM 1079 CB TYR A 70 1.349 4.936 -9.247 1.00 0.00 C ATOM 1080 CG TYR A 70 0.023 4.646 -8.578 1.00 0.00 C ATOM 1081 CD1 TYR A 70 -0.140 4.816 -7.208 1.00 0.00 C ATOM 1082 CD2 TYR A 70 -1.065 4.201 -9.317 1.00 0.00 C ATOM 1083 CE1 TYR A 70 -1.349 4.552 -6.596 1.00 0.00 C ATOM 1084 CE2 TYR A 70 -2.278 3.935 -8.711 1.00 0.00 C ATOM 1085 CZ TYR A 70 -2.415 4.112 -7.351 1.00 0.00 C ATOM 1086 OH TYR A 70 -3.622 3.848 -6.744 1.00 0.00 O ATOM 0 H TYR A 70 3.699 5.614 -9.784 1.00 0.00 H new ATOM 0 HA TYR A 70 2.377 4.696 -7.382 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.426 6.008 -9.430 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.370 4.444 -10.220 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.693 5.160 -6.613 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -0.962 4.060 -10.383 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.459 4.690 -5.530 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -3.115 3.590 -9.300 1.00 0.00 H new ATOM 0 HH TYR A 70 -3.765 4.482 -6.010 1.00 0.00 H new ATOM 1096 N CYS A 71 2.959 2.299 -7.473 1.00 0.00 N ATOM 1097 CA CYS A 71 3.186 0.858 -7.484 1.00 0.00 C ATOM 1098 C CYS A 71 1.877 0.094 -7.660 1.00 0.00 C ATOM 1099 O CYS A 71 1.776 -0.780 -8.522 1.00 0.00 O ATOM 1100 CB CYS A 71 3.874 0.421 -6.189 1.00 0.00 C ATOM 1101 SG CYS A 71 5.047 -0.939 -6.399 1.00 0.00 S ATOM 0 H CYS A 71 2.958 2.719 -6.543 1.00 0.00 H new ATOM 0 HA CYS A 71 3.832 0.627 -8.331 1.00 0.00 H new ATOM 0 HB2 CYS A 71 4.398 1.276 -5.762 1.00 0.00 H new ATOM 0 HB3 CYS A 71 3.113 0.122 -5.469 1.00 0.00 H new ATOM 0 HG CYS A 71 4.472 -2.061 -6.083 1.00 0.00 H new ATOM 1107 N GLY A 72 0.876 0.421 -6.848 1.00 0.00 N ATOM 1108 CA GLY A 72 -0.402 -0.258 -6.955 1.00 0.00 C ATOM 1109 C GLY A 72 -1.383 0.142 -5.871 1.00 0.00 C ATOM 1110 O GLY A 72 -1.385 1.283 -5.410 1.00 0.00 O ATOM 0 H GLY A 72 0.926 1.138 -6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.840 -0.043 -7.930 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.239 -1.335 -6.909 1.00 0.00 H new ATOM 1114 N ASP A 73 -2.223 -0.807 -5.470 1.00 0.00 N ATOM 1115 CA ASP A 73 -3.226 -0.564 -4.440 1.00 0.00 C ATOM 1116 C ASP A 73 -3.423 -1.806 -3.574 1.00 0.00 C ATOM 1117 O ASP A 73 -2.629 -2.745 -3.628 1.00 0.00 O ATOM 1118 CB ASP A 73 -4.554 -0.161 -5.085 1.00 0.00 C ATOM 1119 CG ASP A 73 -5.278 0.915 -4.300 1.00 0.00 C ATOM 1120 OD1 ASP A 73 -5.156 0.928 -3.058 1.00 0.00 O ATOM 1121 OD2 ASP A 73 -5.968 1.745 -4.929 1.00 0.00 O ATOM 0 H ASP A 73 -2.228 -1.756 -5.845 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.876 0.249 -3.804 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.369 0.196 -6.098 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.195 -1.039 -5.168 1.00 0.00 H new ATOM 1126 N TYR A 74 -4.487 -1.804 -2.777 1.00 0.00 N ATOM 1127 CA TYR A 74 -4.789 -2.929 -1.900 1.00 0.00 C ATOM 1128 C TYR A 74 -5.266 -4.135 -2.706 1.00 0.00 C ATOM 1129 O TYR A 74 -4.841 -5.264 -2.463 1.00 0.00 O ATOM 1130 CB TYR A 74 -5.853 -2.530 -0.875 1.00 0.00 C ATOM 1131 CG TYR A 74 -6.261 -3.654 0.051 1.00 0.00 C ATOM 1132 CD1 TYR A 74 -7.138 -4.644 -0.371 1.00 0.00 C ATOM 1133 CD2 TYR A 74 -5.768 -3.723 1.348 1.00 0.00 C ATOM 1134 CE1 TYR A 74 -7.514 -5.672 0.473 1.00 0.00 C ATOM 1135 CE2 TYR A 74 -6.138 -4.748 2.198 1.00 0.00 C ATOM 1136 CZ TYR A 74 -7.011 -5.720 1.756 1.00 0.00 C ATOM 1137 OH TYR A 74 -7.382 -6.742 2.600 1.00 0.00 O ATOM 0 H TYR A 74 -5.155 -1.035 -2.721 1.00 0.00 H new ATOM 0 HA TYR A 74 -3.875 -3.206 -1.375 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.476 -1.699 -0.279 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.735 -2.169 -1.403 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.533 -4.610 -1.376 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -5.085 -2.963 1.698 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -8.198 -6.434 0.129 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -5.745 -4.788 3.203 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.800 -7.460 2.080 1.00 0.00 H new ATOM 1147 N GLU A 75 -6.153 -3.886 -3.664 1.00 0.00 N ATOM 1148 CA GLU A 75 -6.692 -4.941 -4.504 1.00 0.00 C ATOM 1149 C GLU A 75 -5.583 -5.658 -5.270 1.00 0.00 C ATOM 1150 O GLU A 75 -5.497 -6.885 -5.253 1.00 0.00 O ATOM 1151 CB GLU A 75 -7.706 -4.347 -5.478 1.00 0.00 C ATOM 1152 CG GLU A 75 -8.983 -5.157 -5.593 1.00 0.00 C ATOM 1153 CD GLU A 75 -9.160 -5.781 -6.964 1.00 0.00 C ATOM 1154 OE1 GLU A 75 -8.140 -6.020 -7.644 1.00 0.00 O ATOM 1155 OE2 GLU A 75 -10.319 -6.030 -7.358 1.00 0.00 O ATOM 0 H GLU A 75 -6.513 -2.956 -3.876 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.184 -5.675 -3.866 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.955 -3.335 -5.158 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.247 -4.266 -6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.978 -5.944 -4.838 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.837 -4.514 -5.378 1.00 0.00 H new ATOM 1162 N LEU A 76 -4.738 -4.883 -5.943 1.00 0.00 N ATOM 1163 CA LEU A 76 -3.635 -5.441 -6.720 1.00 0.00 C ATOM 1164 C LEU A 76 -2.759 -6.350 -5.863 1.00 0.00 C ATOM 1165 O LEU A 76 -2.676 -7.556 -6.102 1.00 0.00 O ATOM 1166 CB LEU A 76 -2.785 -4.316 -7.315 1.00 0.00 C ATOM 1167 CG LEU A 76 -3.533 -3.361 -8.247 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -4.025 -2.140 -7.483 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -2.641 -2.943 -9.407 1.00 0.00 C ATOM 0 H LEU A 76 -4.796 -3.865 -5.966 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.063 -6.037 -7.526 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.353 -3.738 -6.499 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.956 -4.760 -7.865 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.401 -3.883 -8.650 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.554 -1.474 -8.164 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.700 -2.456 -6.687 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.174 -1.615 -7.050 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.188 -2.264 -10.060 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.754 -2.440 -9.021 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.340 -3.826 -9.971 1.00 0.00 H new ATOM 1181 N PHE A 77 -2.105 -5.762 -4.865 1.00 0.00 N ATOM 1182 CA PHE A 77 -1.230 -6.512 -3.968 1.00 0.00 C ATOM 1183 C PHE A 77 -1.899 -7.800 -3.488 1.00 0.00 C ATOM 1184 O PHE A 77 -1.369 -8.897 -3.676 1.00 0.00 O ATOM 1185 CB PHE A 77 -0.843 -5.642 -2.769 1.00 0.00 C ATOM 1186 CG PHE A 77 0.007 -6.352 -1.753 1.00 0.00 C ATOM 1187 CD1 PHE A 77 -0.572 -7.182 -0.806 1.00 0.00 C ATOM 1188 CD2 PHE A 77 1.383 -6.190 -1.745 1.00 0.00 C ATOM 1189 CE1 PHE A 77 0.206 -7.837 0.130 1.00 0.00 C ATOM 1190 CE2 PHE A 77 2.166 -6.841 -0.811 1.00 0.00 C ATOM 1191 CZ PHE A 77 1.577 -7.666 0.128 1.00 0.00 C ATOM 0 H PHE A 77 -2.165 -4.765 -4.657 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.332 -6.786 -4.521 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.306 -4.764 -3.128 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.751 -5.285 -2.283 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.643 -7.319 -0.799 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.849 -5.547 -2.477 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.257 -8.482 0.862 1.00 0.00 H new ATOM 0 HE2 PHE A 77 3.237 -6.705 -0.815 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.187 -8.176 0.859 1.00 0.00 H new ATOM 1201 N VAL A 78 -3.067 -7.657 -2.867 1.00 0.00 N ATOM 1202 CA VAL A 78 -3.808 -8.806 -2.360 1.00 0.00 C ATOM 1203 C VAL A 78 -4.213 -9.744 -3.492 1.00 0.00 C ATOM 1204 O VAL A 78 -4.272 -10.961 -3.311 1.00 0.00 O ATOM 1205 CB VAL A 78 -5.070 -8.368 -1.594 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -5.743 -9.566 -0.940 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -4.726 -7.308 -0.557 1.00 0.00 C ATOM 0 H VAL A 78 -3.519 -6.758 -2.703 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.143 -9.333 -1.677 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.770 -7.932 -2.306 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.633 -9.236 -0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.028 -10.287 -1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.051 -10.035 -0.241 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.631 -7.011 -0.026 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.005 -7.714 0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.295 -6.439 -1.054 1.00 0.00 H new ATOM 1217 N GLU A 79 -4.491 -9.174 -4.660 1.00 0.00 N ATOM 1218 CA GLU A 79 -4.888 -9.965 -5.819 1.00 0.00 C ATOM 1219 C GLU A 79 -3.687 -10.666 -6.453 1.00 0.00 C ATOM 1220 O GLU A 79 -3.839 -11.435 -7.402 1.00 0.00 O ATOM 1221 CB GLU A 79 -5.576 -9.083 -6.862 1.00 0.00 C ATOM 1222 CG GLU A 79 -6.022 -9.847 -8.098 1.00 0.00 C ATOM 1223 CD GLU A 79 -6.947 -9.035 -8.984 1.00 0.00 C ATOM 1224 OE1 GLU A 79 -6.644 -7.848 -9.228 1.00 0.00 O ATOM 1225 OE2 GLU A 79 -7.973 -9.586 -9.434 1.00 0.00 O ATOM 0 H GLU A 79 -4.449 -8.169 -4.829 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.588 -10.725 -5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.443 -8.604 -6.407 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.894 -8.288 -7.162 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.145 -10.146 -8.672 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.529 -10.762 -7.792 1.00 0.00 H new ATOM 1232 N ALA A 80 -2.494 -10.394 -5.934 1.00 0.00 N ATOM 1233 CA ALA A 80 -1.279 -11.000 -6.462 1.00 0.00 C ATOM 1234 C ALA A 80 -0.891 -12.246 -5.669 1.00 0.00 C ATOM 1235 O ALA A 80 -0.718 -13.323 -6.238 1.00 0.00 O ATOM 1236 CB ALA A 80 -0.146 -9.987 -6.453 1.00 0.00 C ATOM 0 H ALA A 80 -2.344 -9.759 -5.150 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.471 -11.309 -7.490 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.758 -10.449 -6.849 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.418 -9.132 -7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.035 -9.653 -5.431 1.00 0.00 H new ATOM 1242 N VAL A 81 -0.758 -12.095 -4.354 1.00 0.00 N ATOM 1243 CA VAL A 81 -0.389 -13.216 -3.489 1.00 0.00 C ATOM 1244 C VAL A 81 -1.306 -14.414 -3.717 1.00 0.00 C ATOM 1245 O VAL A 81 -0.893 -15.565 -3.576 1.00 0.00 O ATOM 1246 CB VAL A 81 -0.450 -12.822 -1.999 1.00 0.00 C ATOM 1247 CG1 VAL A 81 0.090 -13.945 -1.126 1.00 0.00 C ATOM 1248 CG2 VAL A 81 0.315 -11.530 -1.753 1.00 0.00 C ATOM 0 H VAL A 81 -0.899 -11.212 -3.864 1.00 0.00 H new ATOM 0 HA VAL A 81 0.635 -13.487 -3.747 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.493 -12.654 -1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.039 -13.648 -0.078 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.508 -14.844 -1.278 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.126 -14.149 -1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.259 -11.270 -0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.358 -11.665 -2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.124 -10.729 -2.347 1.00 0.00 H new ATOM 1258 N GLU A 82 -2.554 -14.128 -4.064 1.00 0.00 N ATOM 1259 CA GLU A 82 -3.550 -15.168 -4.310 1.00 0.00 C ATOM 1260 C GLU A 82 -3.092 -16.148 -5.387 1.00 0.00 C ATOM 1261 O GLU A 82 -3.176 -17.363 -5.208 1.00 0.00 O ATOM 1262 CB GLU A 82 -4.875 -14.532 -4.728 1.00 0.00 C ATOM 1263 CG GLU A 82 -4.710 -13.378 -5.704 1.00 0.00 C ATOM 1264 CD GLU A 82 -5.482 -13.587 -6.993 1.00 0.00 C ATOM 1265 OE1 GLU A 82 -6.719 -13.746 -6.925 1.00 0.00 O ATOM 1266 OE2 GLU A 82 -4.850 -13.593 -8.070 1.00 0.00 O ATOM 0 H GLU A 82 -2.905 -13.178 -4.183 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.681 -15.724 -3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.508 -15.294 -5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -5.394 -14.175 -3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.045 -12.456 -5.230 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.652 -13.251 -5.935 1.00 0.00 H new ATOM 1273 N GLN A 83 -2.612 -15.615 -6.506 1.00 0.00 N ATOM 1274 CA GLN A 83 -2.148 -16.447 -7.610 1.00 0.00 C ATOM 1275 C GLN A 83 -0.628 -16.562 -7.604 1.00 0.00 C ATOM 1276 O GLN A 83 -0.031 -17.090 -8.541 1.00 0.00 O ATOM 1277 CB GLN A 83 -2.620 -15.863 -8.943 1.00 0.00 C ATOM 1278 CG GLN A 83 -3.140 -16.909 -9.916 1.00 0.00 C ATOM 1279 CD GLN A 83 -3.290 -16.372 -11.326 1.00 0.00 C ATOM 1280 OE1 GLN A 83 -4.395 -16.306 -11.863 1.00 0.00 O ATOM 1281 NE2 GLN A 83 -2.174 -15.985 -11.933 1.00 0.00 N ATOM 0 H GLN A 83 -2.534 -14.612 -6.672 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.569 -17.444 -7.485 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.407 -15.133 -8.752 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -1.793 -15.326 -9.408 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.459 -17.760 -9.926 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.105 -17.277 -9.567 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -1.279 -16.058 -11.449 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.212 -15.615 -12.883 1.00 0.00 H new ATOM 1290 N ASN A 84 -0.008 -16.051 -6.545 1.00 0.00 N ATOM 1291 CA ASN A 84 1.439 -16.076 -6.412 1.00 0.00 C ATOM 1292 C ASN A 84 2.070 -15.028 -7.318 1.00 0.00 C ATOM 1293 O ASN A 84 3.250 -15.112 -7.659 1.00 0.00 O ATOM 1294 CB ASN A 84 1.996 -17.465 -6.737 1.00 0.00 C ATOM 1295 CG ASN A 84 3.092 -17.887 -5.778 1.00 0.00 C ATOM 1296 OD1 ASN A 84 3.902 -17.068 -5.344 1.00 0.00 O ATOM 1297 ND2 ASN A 84 3.124 -19.171 -5.443 1.00 0.00 N ATOM 0 H ASN A 84 -0.493 -15.612 -5.762 1.00 0.00 H new ATOM 0 HA ASN A 84 1.689 -15.844 -5.377 1.00 0.00 H new ATOM 0 HB2 ASN A 84 1.187 -18.195 -6.704 1.00 0.00 H new ATOM 0 HB3 ASN A 84 2.386 -17.468 -7.755 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.840 -19.513 -4.802 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.433 -19.816 -5.827 1.00 0.00 H new ATOM 1304 N THR A 85 1.272 -14.035 -7.698 1.00 0.00 N ATOM 1305 CA THR A 85 1.744 -12.963 -8.558 1.00 0.00 C ATOM 1306 C THR A 85 2.457 -11.890 -7.739 1.00 0.00 C ATOM 1307 O THR A 85 3.228 -11.098 -8.281 1.00 0.00 O ATOM 1308 CB THR A 85 0.578 -12.345 -9.336 1.00 0.00 C ATOM 1309 OG1 THR A 85 -0.662 -12.852 -8.873 1.00 0.00 O ATOM 1310 CG2 THR A 85 0.651 -12.604 -10.825 1.00 0.00 C ATOM 0 H THR A 85 0.294 -13.953 -7.421 1.00 0.00 H new ATOM 0 HA THR A 85 2.454 -13.386 -9.269 1.00 0.00 H new ATOM 0 HB THR A 85 0.653 -11.271 -9.164 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.395 -12.353 -9.290 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.204 -12.140 -11.317 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.573 -12.181 -11.223 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.636 -13.678 -11.009 1.00 0.00 H new ATOM 1318 N LEU A 86 2.185 -11.871 -6.430 1.00 0.00 N ATOM 1319 CA LEU A 86 2.790 -10.899 -5.516 1.00 0.00 C ATOM 1320 C LEU A 86 4.207 -10.513 -5.941 1.00 0.00 C ATOM 1321 O LEU A 86 4.590 -9.347 -5.855 1.00 0.00 O ATOM 1322 CB LEU A 86 2.810 -11.465 -4.096 1.00 0.00 C ATOM 1323 CG LEU A 86 3.036 -10.438 -2.986 1.00 0.00 C ATOM 1324 CD1 LEU A 86 4.493 -10.001 -2.951 1.00 0.00 C ATOM 1325 CD2 LEU A 86 2.120 -9.236 -3.171 1.00 0.00 C ATOM 0 H LEU A 86 1.545 -12.524 -5.978 1.00 0.00 H new ATOM 0 HA LEU A 86 2.181 -9.996 -5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.863 -11.972 -3.912 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.594 -12.220 -4.035 1.00 0.00 H new ATOM 0 HG LEU A 86 2.795 -10.907 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.635 -9.270 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.128 -10.867 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.761 -9.552 -3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.297 -8.517 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.326 -8.766 -4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.081 -9.563 -3.142 1.00 0.00 H new ATOM 1337 N GLN A 87 4.979 -11.492 -6.406 1.00 0.00 N ATOM 1338 CA GLN A 87 6.345 -11.232 -6.847 1.00 0.00 C ATOM 1339 C GLN A 87 6.353 -10.207 -7.974 1.00 0.00 C ATOM 1340 O GLN A 87 6.996 -9.163 -7.873 1.00 0.00 O ATOM 1341 CB GLN A 87 7.021 -12.524 -7.316 1.00 0.00 C ATOM 1342 CG GLN A 87 8.321 -12.287 -8.071 1.00 0.00 C ATOM 1343 CD GLN A 87 9.102 -13.566 -8.306 1.00 0.00 C ATOM 1344 OE1 GLN A 87 8.651 -14.460 -9.021 1.00 0.00 O ATOM 1345 NE2 GLN A 87 10.280 -13.658 -7.701 1.00 0.00 N ATOM 0 H GLN A 87 4.684 -12.465 -6.487 1.00 0.00 H new ATOM 0 HA GLN A 87 6.903 -10.834 -5.999 1.00 0.00 H new ATOM 0 HB2 GLN A 87 7.222 -13.155 -6.450 1.00 0.00 H new ATOM 0 HB3 GLN A 87 6.332 -13.073 -7.957 1.00 0.00 H new ATOM 0 HG2 GLN A 87 8.099 -11.820 -9.031 1.00 0.00 H new ATOM 0 HG3 GLN A 87 8.940 -11.586 -7.510 1.00 0.00 H new ATOM 0 HE21 GLN A 87 10.615 -12.892 -7.117 1.00 0.00 H new ATOM 0 HE22 GLN A 87 10.851 -14.495 -7.820 1.00 0.00 H new ATOM 1354 N GLU A 88 5.625 -10.511 -9.047 1.00 0.00 N ATOM 1355 CA GLU A 88 5.536 -9.617 -10.198 1.00 0.00 C ATOM 1356 C GLU A 88 5.267 -8.179 -9.760 1.00 0.00 C ATOM 1357 O GLU A 88 5.577 -7.232 -10.483 1.00 0.00 O ATOM 1358 CB GLU A 88 4.432 -10.085 -11.147 1.00 0.00 C ATOM 1359 CG GLU A 88 4.726 -9.800 -12.611 1.00 0.00 C ATOM 1360 CD GLU A 88 3.990 -8.578 -13.125 1.00 0.00 C ATOM 1361 OE1 GLU A 88 2.760 -8.497 -12.925 1.00 0.00 O ATOM 1362 OE2 GLU A 88 4.644 -7.702 -13.729 1.00 0.00 O ATOM 0 H GLU A 88 5.087 -11.372 -9.142 1.00 0.00 H new ATOM 0 HA GLU A 88 6.494 -9.644 -10.718 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.283 -11.157 -11.017 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.497 -9.598 -10.871 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.798 -9.655 -12.741 1.00 0.00 H new ATOM 0 HG3 GLU A 88 4.446 -10.667 -13.210 1.00 0.00 H new ATOM 1369 N PHE A 89 4.682 -8.025 -8.576 1.00 0.00 N ATOM 1370 CA PHE A 89 4.366 -6.709 -8.042 1.00 0.00 C ATOM 1371 C PHE A 89 5.406 -6.258 -7.017 1.00 0.00 C ATOM 1372 O PHE A 89 5.599 -5.061 -6.804 1.00 0.00 O ATOM 1373 CB PHE A 89 2.978 -6.732 -7.400 1.00 0.00 C ATOM 1374 CG PHE A 89 2.501 -5.386 -6.937 1.00 0.00 C ATOM 1375 CD1 PHE A 89 3.057 -4.785 -5.820 1.00 0.00 C ATOM 1376 CD2 PHE A 89 1.494 -4.724 -7.619 1.00 0.00 C ATOM 1377 CE1 PHE A 89 2.617 -3.548 -5.391 1.00 0.00 C ATOM 1378 CE2 PHE A 89 1.050 -3.487 -7.196 1.00 0.00 C ATOM 1379 CZ PHE A 89 1.612 -2.897 -6.080 1.00 0.00 C ATOM 0 H PHE A 89 4.417 -8.800 -7.968 1.00 0.00 H new ATOM 0 HA PHE A 89 4.377 -5.997 -8.867 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.263 -7.133 -8.118 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.993 -7.414 -6.550 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.844 -5.289 -5.278 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.051 -5.180 -8.492 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.058 -3.090 -4.518 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.264 -2.981 -7.737 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.266 -1.929 -5.747 1.00 0.00 H new ATOM 1389 N LEU A 90 6.066 -7.220 -6.372 1.00 0.00 N ATOM 1390 CA LEU A 90 7.071 -6.906 -5.359 1.00 0.00 C ATOM 1391 C LEU A 90 8.494 -7.011 -5.909 1.00 0.00 C ATOM 1392 O LEU A 90 9.218 -6.017 -5.965 1.00 0.00 O ATOM 1393 CB LEU A 90 6.910 -7.831 -4.148 1.00 0.00 C ATOM 1394 CG LEU A 90 6.363 -7.160 -2.884 1.00 0.00 C ATOM 1395 CD1 LEU A 90 6.444 -8.109 -1.697 1.00 0.00 C ATOM 1396 CD2 LEU A 90 7.119 -5.871 -2.589 1.00 0.00 C ATOM 0 H LEU A 90 5.923 -8.217 -6.532 1.00 0.00 H new ATOM 0 HA LEU A 90 6.911 -5.872 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.245 -8.650 -4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.880 -8.272 -3.916 1.00 0.00 H new ATOM 0 HG LEU A 90 5.316 -6.911 -3.056 1.00 0.00 H new ATOM 0 HD11 LEU A 90 6.051 -7.615 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.856 -9.003 -1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 90 7.483 -8.390 -1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 90 6.715 -5.410 -1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.175 -6.095 -2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.009 -5.184 -3.428 1.00 0.00 H new ATOM 1408 N LYS A 91 8.899 -8.221 -6.293 1.00 0.00 N ATOM 1409 CA LYS A 91 10.247 -8.445 -6.816 1.00 0.00 C ATOM 1410 C LYS A 91 10.276 -8.439 -8.345 1.00 0.00 C ATOM 1411 O LYS A 91 11.340 -8.566 -8.951 1.00 0.00 O ATOM 1412 CB LYS A 91 10.810 -9.771 -6.295 1.00 0.00 C ATOM 1413 CG LYS A 91 10.378 -10.108 -4.877 1.00 0.00 C ATOM 1414 CD LYS A 91 10.801 -11.515 -4.484 1.00 0.00 C ATOM 1415 CE LYS A 91 9.713 -12.225 -3.695 1.00 0.00 C ATOM 1416 NZ LYS A 91 9.634 -13.672 -4.036 1.00 0.00 N ATOM 0 H LYS A 91 8.317 -9.058 -6.252 1.00 0.00 H new ATOM 0 HA LYS A 91 10.869 -7.621 -6.465 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.496 -10.575 -6.961 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.899 -9.733 -6.333 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.813 -9.389 -4.183 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.295 -10.016 -4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.035 -12.089 -5.380 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.712 -11.469 -3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.907 -12.114 -2.628 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.752 -11.752 -3.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.880 -14.120 -3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.424 -13.779 -5.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.543 -14.129 -3.821 1.00 0.00 H new ATOM 1430 N LEU A 92 9.108 -8.289 -8.967 1.00 0.00 N ATOM 1431 CA LEU A 92 9.009 -8.264 -10.426 1.00 0.00 C ATOM 1432 C LEU A 92 9.798 -9.409 -11.056 1.00 0.00 C ATOM 1433 O LEU A 92 10.282 -9.296 -12.182 1.00 0.00 O ATOM 1434 CB LEU A 92 9.512 -6.925 -10.974 1.00 0.00 C ATOM 1435 CG LEU A 92 9.139 -5.691 -10.146 1.00 0.00 C ATOM 1436 CD1 LEU A 92 7.676 -5.739 -9.727 1.00 0.00 C ATOM 1437 CD2 LEU A 92 10.039 -5.578 -8.927 1.00 0.00 C ATOM 0 H LEU A 92 8.216 -8.183 -8.483 1.00 0.00 H new ATOM 0 HA LEU A 92 7.958 -8.387 -10.687 1.00 0.00 H new ATOM 0 HB2 LEU A 92 10.598 -6.971 -11.056 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.121 -6.795 -11.983 1.00 0.00 H new ATOM 0 HG LEU A 92 9.284 -4.808 -10.768 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.436 -4.852 -9.140 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.044 -5.769 -10.615 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.499 -6.631 -9.125 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.761 -4.696 -8.350 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.926 -6.468 -8.308 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.077 -5.489 -9.248 1.00 0.00 H new ATOM 1449 N ALA A 93 9.924 -10.511 -10.324 1.00 0.00 N ATOM 1450 CA ALA A 93 10.654 -11.673 -10.813 1.00 0.00 C ATOM 1451 C ALA A 93 9.698 -12.790 -11.220 1.00 0.00 C ATOM 1452 O ALA A 93 10.003 -13.972 -11.062 1.00 0.00 O ATOM 1453 CB ALA A 93 11.629 -12.166 -9.754 1.00 0.00 C ATOM 0 H ALA A 93 9.530 -10.623 -9.390 1.00 0.00 H new ATOM 0 HA ALA A 93 11.217 -11.374 -11.697 1.00 0.00 H new ATOM 0 HB1 ALA A 93 12.168 -13.035 -10.132 1.00 0.00 H new ATOM 0 HB2 ALA A 93 12.339 -11.374 -9.516 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.080 -12.443 -8.854 1.00 0.00 H new ATOM 1459 N LEU A 94 8.538 -12.406 -11.746 1.00 0.00 N ATOM 1460 CA LEU A 94 7.536 -13.374 -12.177 1.00 0.00 C ATOM 1461 C LEU A 94 7.233 -13.219 -13.663 1.00 0.00 C ATOM 1462 O LEU A 94 6.104 -13.435 -14.103 1.00 0.00 O ATOM 1463 CB LEU A 94 6.251 -13.205 -11.364 1.00 0.00 C ATOM 1464 CG LEU A 94 5.290 -14.397 -11.417 1.00 0.00 C ATOM 1465 CD1 LEU A 94 5.280 -15.138 -10.088 1.00 0.00 C ATOM 1466 CD2 LEU A 94 3.886 -13.937 -11.782 1.00 0.00 C ATOM 0 H LEU A 94 8.270 -11.432 -11.884 1.00 0.00 H new ATOM 0 HA LEU A 94 7.937 -14.373 -12.008 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.519 -13.019 -10.324 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.727 -12.319 -11.721 1.00 0.00 H new ATOM 0 HG LEU A 94 5.639 -15.083 -12.189 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.591 -15.981 -10.147 1.00 0.00 H new ATOM 0 HD12 LEU A 94 6.283 -15.503 -9.868 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.958 -14.461 -9.296 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.218 -14.798 -11.815 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.529 -13.229 -11.034 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.904 -13.454 -12.759 1.00 0.00 H new ATOM 1478 N GLU A 95 8.250 -12.843 -14.433 1.00 0.00 N ATOM 1479 CA GLU A 95 8.092 -12.659 -15.871 1.00 0.00 C ATOM 1480 C GLU A 95 8.516 -13.912 -16.630 1.00 0.00 C ATOM 1481 O GLU A 95 9.388 -14.645 -16.119 1.00 0.00 O ATOM 1482 CB GLU A 95 8.913 -11.458 -16.346 1.00 0.00 C ATOM 1483 CG GLU A 95 8.168 -10.137 -16.253 1.00 0.00 C ATOM 1484 CD GLU A 95 9.097 -8.957 -16.049 1.00 0.00 C ATOM 1485 OE1 GLU A 95 9.794 -8.576 -17.013 1.00 0.00 O ATOM 1486 OE2 GLU A 95 9.129 -8.413 -14.925 1.00 0.00 O ATOM 0 H GLU A 95 9.191 -12.660 -14.085 1.00 0.00 H new ATOM 0 HA GLU A 95 7.037 -12.473 -16.074 1.00 0.00 H new ATOM 0 HB2 GLU A 95 9.825 -11.394 -15.752 1.00 0.00 H new ATOM 0 HB3 GLU A 95 9.217 -11.622 -17.380 1.00 0.00 H new ATOM 0 HG2 GLU A 95 7.589 -9.986 -17.164 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.457 -10.182 -15.428 1.00 0.00 H new TER 1493 GLU A 95