USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 572 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 62 GLN : amide:sc= 0 K(o=-0.18,f=-1.4) USER MOD Set 1.2: A 65 SER OG : rot 55:sc= -0.183 USER MOD Set 2.1: A 7 THR OG1 : rot 143:sc= 1.22 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.01 USER MOD Single : A 2 GLN : amide:sc= 1.13 K(o=1.1,f=-1.2) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -71:sc= 0.858 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0715 K(o=-0.071,f=-2) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.35 K(o=-1.4,f=-2.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.251 K(o=-0.25,f=-6!) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -98:sc= 0.0537 USER MOD Single : A 59 TYR OH : rot 137:sc= 0.536 USER MOD Single : A 60 ASN :FLIP amide:sc= -0.308 F(o=-2.5!,f=-0.31) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.12 F(o=-0.68,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 18 N GLN A 2 9.217 -8.270 -2.759 1.00 0.00 N ATOM 19 CA GLN A 2 7.773 -8.131 -2.727 1.00 0.00 C ATOM 20 C GLN A 2 7.342 -7.654 -1.347 1.00 0.00 C ATOM 21 O GLN A 2 8.164 -7.551 -0.439 1.00 0.00 O ATOM 22 CB GLN A 2 7.133 -9.481 -3.052 1.00 0.00 C ATOM 23 CG GLN A 2 7.331 -9.810 -4.531 1.00 0.00 C ATOM 24 CD GLN A 2 6.737 -11.172 -4.871 1.00 0.00 C ATOM 25 OE1 GLN A 2 6.558 -12.011 -3.992 1.00 0.00 O ATOM 26 NE2 GLN A 2 6.427 -11.391 -6.150 1.00 0.00 N ATOM 0 HA GLN A 2 7.450 -7.398 -3.467 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.577 -10.262 -2.435 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.069 -9.455 -2.816 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.862 -9.041 -5.144 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.395 -9.803 -4.770 1.00 0.00 H new ATOM 0 HE21 GLN A 2 6.593 -10.665 -6.847 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.024 -12.285 -6.431 1.00 0.00 H new ATOM 35 N ILE A 3 6.054 -7.337 -1.199 1.00 0.00 N ATOM 36 CA ILE A 3 5.500 -6.893 0.067 1.00 0.00 C ATOM 37 C ILE A 3 4.094 -7.464 0.224 1.00 0.00 C ATOM 38 O ILE A 3 3.580 -8.103 -0.692 1.00 0.00 O ATOM 39 CB ILE A 3 5.495 -5.361 0.119 1.00 0.00 C ATOM 40 CG1 ILE A 3 4.628 -4.805 -1.012 1.00 0.00 C ATOM 41 CG2 ILE A 3 6.923 -4.833 -0.011 1.00 0.00 C ATOM 42 CD1 ILE A 3 4.555 -3.280 -0.930 1.00 0.00 C ATOM 0 H ILE A 3 5.372 -7.383 -1.956 1.00 0.00 H new ATOM 0 HA ILE A 3 6.111 -7.252 0.895 1.00 0.00 H new ATOM 0 HB ILE A 3 5.082 -5.038 1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.041 -5.104 -1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 3 3.625 -5.227 -0.950 1.00 0.00 H new ATOM 0 HG21 ILE A 3 6.913 -3.744 0.027 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.530 -5.219 0.808 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.347 -5.159 -0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.934 -2.901 -1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.120 -2.987 0.026 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.558 -2.863 -1.015 1.00 0.00 H new ATOM 54 N PHE A 4 3.464 -7.222 1.377 1.00 0.00 N ATOM 55 CA PHE A 4 2.132 -7.734 1.643 1.00 0.00 C ATOM 56 C PHE A 4 1.262 -6.632 2.230 1.00 0.00 C ATOM 57 O PHE A 4 1.491 -6.192 3.354 1.00 0.00 O ATOM 58 CB PHE A 4 2.223 -8.919 2.602 1.00 0.00 C ATOM 59 CG PHE A 4 2.920 -10.119 2.007 1.00 0.00 C ATOM 60 CD1 PHE A 4 2.176 -11.099 1.336 1.00 0.00 C ATOM 61 CD2 PHE A 4 4.309 -10.252 2.122 1.00 0.00 C ATOM 62 CE1 PHE A 4 2.822 -12.211 0.780 1.00 0.00 C ATOM 63 CE2 PHE A 4 4.955 -11.362 1.563 1.00 0.00 C ATOM 64 CZ PHE A 4 4.212 -12.340 0.891 1.00 0.00 C ATOM 0 H PHE A 4 3.863 -6.672 2.138 1.00 0.00 H new ATOM 0 HA PHE A 4 1.677 -8.071 0.712 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.754 -8.609 3.502 1.00 0.00 H new ATOM 0 HB3 PHE A 4 1.217 -9.207 2.909 1.00 0.00 H new ATOM 0 HD1 PHE A 4 1.104 -10.997 1.247 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.882 -9.499 2.642 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.248 -12.968 0.266 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.027 -11.463 1.650 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.711 -13.194 0.458 1.00 0.00 H new ATOM 74 N VAL A 5 0.276 -6.169 1.458 1.00 0.00 N ATOM 75 CA VAL A 5 -0.643 -5.143 1.912 1.00 0.00 C ATOM 76 C VAL A 5 -1.912 -5.812 2.423 1.00 0.00 C ATOM 77 O VAL A 5 -2.549 -6.565 1.691 1.00 0.00 O ATOM 78 CB VAL A 5 -0.967 -4.197 0.754 1.00 0.00 C ATOM 79 CG1 VAL A 5 -1.910 -3.099 1.240 1.00 0.00 C ATOM 80 CG2 VAL A 5 0.314 -3.556 0.225 1.00 0.00 C ATOM 0 H VAL A 5 0.099 -6.497 0.508 1.00 0.00 H new ATOM 0 HA VAL A 5 -0.192 -4.563 2.717 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.441 -4.767 -0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.140 -2.425 0.415 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -2.832 -3.548 1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -1.432 -2.538 2.043 1.00 0.00 H new ATOM 0 HG21 VAL A 5 0.072 -2.885 -0.599 1.00 0.00 H new ATOM 0 HG22 VAL A 5 0.795 -2.991 1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 5 0.991 -4.334 -0.128 1.00 0.00 H new ATOM 90 N LYS A 6 -2.284 -5.541 3.676 1.00 0.00 N ATOM 91 CA LYS A 6 -3.460 -6.157 4.261 1.00 0.00 C ATOM 92 C LYS A 6 -4.578 -5.130 4.377 1.00 0.00 C ATOM 93 O LYS A 6 -4.446 -4.143 5.099 1.00 0.00 O ATOM 94 CB LYS A 6 -3.098 -6.755 5.619 1.00 0.00 C ATOM 95 CG LYS A 6 -4.211 -7.695 6.077 1.00 0.00 C ATOM 96 CD LYS A 6 -3.764 -8.432 7.337 1.00 0.00 C ATOM 97 CE LYS A 6 -4.799 -9.492 7.703 1.00 0.00 C ATOM 98 NZ LYS A 6 -4.367 -10.269 8.875 1.00 0.00 N ATOM 0 H LYS A 6 -1.786 -4.902 4.296 1.00 0.00 H new ATOM 0 HA LYS A 6 -3.817 -6.963 3.620 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -2.155 -7.298 5.549 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.955 -5.960 6.351 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.121 -7.129 6.277 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.446 -8.410 5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -2.793 -8.899 7.172 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.644 -7.727 8.160 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.756 -9.014 7.912 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.955 -10.161 6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -5.088 -10.983 9.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.465 -10.743 8.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -4.242 -9.632 9.687 1.00 0.00 H new ATOM 112 N THR A 7 -5.655 -5.338 3.615 1.00 0.00 N ATOM 113 CA THR A 7 -6.781 -4.423 3.578 1.00 0.00 C ATOM 114 C THR A 7 -7.453 -4.348 4.944 1.00 0.00 C ATOM 115 O THR A 7 -7.146 -5.136 5.837 1.00 0.00 O ATOM 116 CB THR A 7 -7.783 -4.904 2.531 1.00 0.00 C ATOM 117 OG1 THR A 7 -8.255 -6.179 2.900 1.00 0.00 O ATOM 118 CG2 THR A 7 -7.119 -4.988 1.159 1.00 0.00 C ATOM 0 H THR A 7 -5.763 -6.150 3.008 1.00 0.00 H new ATOM 0 HA THR A 7 -6.424 -3.427 3.316 1.00 0.00 H new ATOM 0 HB THR A 7 -8.611 -4.197 2.477 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.207 -6.252 2.678 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.846 -5.332 0.423 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.751 -4.003 0.872 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.285 -5.689 1.201 1.00 0.00 H new ATOM 126 N ALA A 8 -8.418 -3.434 5.082 1.00 0.00 N ATOM 127 CA ALA A 8 -9.184 -3.300 6.306 1.00 0.00 C ATOM 128 C ALA A 8 -10.165 -4.461 6.436 1.00 0.00 C ATOM 129 O ALA A 8 -10.794 -4.627 7.479 1.00 0.00 O ATOM 130 CB ALA A 8 -9.936 -1.971 6.288 1.00 0.00 C ATOM 0 H ALA A 8 -8.682 -2.775 4.350 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.509 -3.319 7.162 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.513 -1.867 7.207 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.223 -1.150 6.213 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.610 -1.946 5.432 1.00 0.00 H new ATOM 136 N THR A 9 -10.293 -5.268 5.378 1.00 0.00 N ATOM 137 CA THR A 9 -11.174 -6.420 5.392 1.00 0.00 C ATOM 138 C THR A 9 -10.378 -7.673 5.747 1.00 0.00 C ATOM 139 O THR A 9 -10.942 -8.761 5.849 1.00 0.00 O ATOM 140 CB THR A 9 -11.857 -6.563 4.030 1.00 0.00 C ATOM 141 OG1 THR A 9 -10.889 -6.666 3.010 1.00 0.00 O ATOM 142 CG2 THR A 9 -12.737 -5.343 3.766 1.00 0.00 C ATOM 0 H THR A 9 -9.791 -5.136 4.500 1.00 0.00 H new ATOM 0 HA THR A 9 -11.948 -6.284 6.148 1.00 0.00 H new ATOM 0 HB THR A 9 -12.470 -7.465 4.037 1.00 0.00 H new ATOM 0 HG1 THR A 9 -11.336 -6.758 2.143 1.00 0.00 H new ATOM 0 HG21 THR A 9 -13.222 -5.447 2.796 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.496 -5.266 4.545 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.122 -4.443 3.769 1.00 0.00 H new ATOM 150 N GLY A 10 -9.068 -7.510 5.959 1.00 0.00 N ATOM 151 CA GLY A 10 -8.203 -8.597 6.376 1.00 0.00 C ATOM 152 C GLY A 10 -7.637 -9.354 5.179 1.00 0.00 C ATOM 153 O GLY A 10 -6.843 -10.275 5.355 1.00 0.00 O ATOM 0 H GLY A 10 -8.586 -6.618 5.844 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.384 -8.201 6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.762 -9.284 7.011 1.00 0.00 H new ATOM 157 N LYS A 11 -8.055 -8.988 3.964 1.00 0.00 N ATOM 158 CA LYS A 11 -7.563 -9.644 2.765 1.00 0.00 C ATOM 159 C LYS A 11 -6.123 -9.227 2.501 1.00 0.00 C ATOM 160 O LYS A 11 -5.854 -8.058 2.232 1.00 0.00 O ATOM 161 CB LYS A 11 -8.446 -9.280 1.573 1.00 0.00 C ATOM 162 CG LYS A 11 -9.868 -9.790 1.797 1.00 0.00 C ATOM 163 CD LYS A 11 -10.697 -9.538 0.540 1.00 0.00 C ATOM 164 CE LYS A 11 -12.118 -10.050 0.753 1.00 0.00 C ATOM 165 NZ LYS A 11 -12.915 -9.923 -0.478 1.00 0.00 N ATOM 0 H LYS A 11 -8.730 -8.243 3.792 1.00 0.00 H new ATOM 0 HA LYS A 11 -7.596 -10.724 2.909 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -8.457 -8.199 1.435 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.036 -9.713 0.661 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.853 -10.855 2.029 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -10.318 -9.284 2.651 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.714 -8.472 0.311 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -10.243 -10.040 -0.314 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -12.089 -11.094 1.066 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.594 -9.489 1.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -13.877 -10.278 -0.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.960 -8.923 -0.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -12.471 -10.478 -1.238 1.00 0.00 H new ATOM 179 N THR A 12 -5.195 -10.181 2.589 1.00 0.00 N ATOM 180 CA THR A 12 -3.797 -9.917 2.307 1.00 0.00 C ATOM 181 C THR A 12 -3.595 -9.829 0.798 1.00 0.00 C ATOM 182 O THR A 12 -4.167 -10.618 0.048 1.00 0.00 O ATOM 183 CB THR A 12 -2.942 -11.036 2.901 1.00 0.00 C ATOM 184 OG1 THR A 12 -3.333 -11.271 4.236 1.00 0.00 O ATOM 185 CG2 THR A 12 -1.467 -10.642 2.865 1.00 0.00 C ATOM 0 H THR A 12 -5.395 -11.145 2.855 1.00 0.00 H new ATOM 0 HA THR A 12 -3.496 -8.970 2.756 1.00 0.00 H new ATOM 0 HB THR A 12 -3.084 -11.943 2.313 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.786 -11.990 4.616 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.865 -11.445 3.290 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.162 -10.467 1.833 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.319 -9.732 3.446 1.00 0.00 H new ATOM 193 N ILE A 13 -2.777 -8.871 0.355 1.00 0.00 N ATOM 194 CA ILE A 13 -2.501 -8.676 -1.057 1.00 0.00 C ATOM 195 C ILE A 13 -0.997 -8.622 -1.290 1.00 0.00 C ATOM 196 O ILE A 13 -0.344 -7.650 -0.916 1.00 0.00 O ATOM 197 CB ILE A 13 -3.179 -7.394 -1.550 1.00 0.00 C ATOM 198 CG1 ILE A 13 -4.662 -7.404 -1.169 1.00 0.00 C ATOM 199 CG2 ILE A 13 -3.025 -7.295 -3.068 1.00 0.00 C ATOM 200 CD1 ILE A 13 -5.335 -6.104 -1.609 1.00 0.00 C ATOM 0 H ILE A 13 -2.293 -8.215 0.968 1.00 0.00 H new ATOM 0 HA ILE A 13 -2.905 -9.516 -1.623 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.707 -6.530 -1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.158 -8.254 -1.637 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -4.766 -7.528 -0.091 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.506 -6.384 -3.424 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.966 -7.271 -3.325 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.493 -8.160 -3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.389 -6.127 -1.331 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.849 -5.259 -1.120 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.248 -5.997 -2.690 1.00 0.00 H new ATOM 212 N THR A 14 -0.451 -9.669 -1.912 1.00 0.00 N ATOM 213 CA THR A 14 0.957 -9.713 -2.254 1.00 0.00 C ATOM 214 C THR A 14 1.222 -8.695 -3.357 1.00 0.00 C ATOM 215 O THR A 14 0.612 -8.767 -4.422 1.00 0.00 O ATOM 216 CB THR A 14 1.321 -11.122 -2.719 1.00 0.00 C ATOM 217 OG1 THR A 14 0.877 -12.061 -1.765 1.00 0.00 O ATOM 218 CG2 THR A 14 2.835 -11.237 -2.875 1.00 0.00 C ATOM 0 H THR A 14 -0.974 -10.500 -2.188 1.00 0.00 H new ATOM 0 HA THR A 14 1.569 -9.468 -1.386 1.00 0.00 H new ATOM 0 HB THR A 14 0.842 -11.320 -3.678 1.00 0.00 H new ATOM 0 HG1 THR A 14 1.432 -11.997 -0.960 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.091 -12.243 -3.207 1.00 0.00 H new ATOM 0 HG22 THR A 14 3.181 -10.513 -3.612 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.316 -11.037 -1.917 1.00 0.00 H new ATOM 226 N LEU A 15 2.092 -7.718 -3.087 1.00 0.00 N ATOM 227 CA LEU A 15 2.351 -6.652 -4.037 1.00 0.00 C ATOM 228 C LEU A 15 3.819 -6.662 -4.446 1.00 0.00 C ATOM 229 O LEU A 15 4.664 -7.180 -3.719 1.00 0.00 O ATOM 230 CB LEU A 15 1.965 -5.315 -3.402 1.00 0.00 C ATOM 231 CG LEU A 15 1.551 -4.296 -4.463 1.00 0.00 C ATOM 232 CD1 LEU A 15 0.218 -4.714 -5.083 1.00 0.00 C ATOM 233 CD2 LEU A 15 1.394 -2.930 -3.800 1.00 0.00 C ATOM 0 H LEU A 15 2.624 -7.650 -2.219 1.00 0.00 H new ATOM 0 HA LEU A 15 1.753 -6.801 -4.936 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.145 -5.466 -2.700 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.807 -4.925 -2.829 1.00 0.00 H new ATOM 0 HG LEU A 15 2.311 -4.247 -5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.076 -3.986 -5.839 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.324 -5.695 -5.545 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.546 -4.759 -4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.099 -2.194 -4.548 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.629 -2.987 -3.025 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.342 -2.632 -3.352 1.00 0.00 H new ATOM 245 N GLU A 16 4.119 -6.092 -5.616 1.00 0.00 N ATOM 246 CA GLU A 16 5.475 -6.046 -6.133 1.00 0.00 C ATOM 247 C GLU A 16 5.752 -4.671 -6.732 1.00 0.00 C ATOM 248 O GLU A 16 5.233 -4.345 -7.797 1.00 0.00 O ATOM 249 CB GLU A 16 5.653 -7.155 -7.169 1.00 0.00 C ATOM 250 CG GLU A 16 7.108 -7.222 -7.629 1.00 0.00 C ATOM 251 CD GLU A 16 7.323 -8.410 -8.560 1.00 0.00 C ATOM 252 OE1 GLU A 16 6.927 -9.526 -8.156 1.00 0.00 O ATOM 253 OE2 GLU A 16 7.871 -8.184 -9.660 1.00 0.00 O ATOM 0 H GLU A 16 3.427 -5.653 -6.224 1.00 0.00 H new ATOM 0 HA GLU A 16 6.191 -6.208 -5.328 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.355 -8.112 -6.742 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.002 -6.971 -8.024 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.376 -6.298 -8.142 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.765 -7.308 -6.763 1.00 0.00 H new ATOM 260 N VAL A 17 6.523 -3.844 -6.019 1.00 0.00 N ATOM 261 CA VAL A 17 6.849 -2.509 -6.490 1.00 0.00 C ATOM 262 C VAL A 17 8.353 -2.278 -6.413 1.00 0.00 C ATOM 263 O VAL A 17 9.054 -2.974 -5.679 1.00 0.00 O ATOM 264 CB VAL A 17 6.099 -1.470 -5.654 1.00 0.00 C ATOM 265 CG1 VAL A 17 4.592 -1.665 -5.810 1.00 0.00 C ATOM 266 CG2 VAL A 17 6.482 -1.606 -4.180 1.00 0.00 C ATOM 0 H VAL A 17 6.929 -4.083 -5.114 1.00 0.00 H new ATOM 0 HA VAL A 17 6.541 -2.409 -7.531 1.00 0.00 H new ATOM 0 HB VAL A 17 6.372 -0.475 -6.005 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.065 -0.922 -5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.317 -1.549 -6.858 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.317 -2.664 -5.471 1.00 0.00 H new ATOM 0 HG21 VAL A 17 5.943 -0.862 -3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.222 -2.604 -3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.555 -1.449 -4.067 1.00 0.00 H new ATOM 276 N GLU A 18 8.838 -1.252 -7.118 1.00 0.00 N ATOM 277 CA GLU A 18 10.243 -0.896 -7.084 1.00 0.00 C ATOM 278 C GLU A 18 10.528 -0.095 -5.817 1.00 0.00 C ATOM 279 O GLU A 18 9.670 0.651 -5.352 1.00 0.00 O ATOM 280 CB GLU A 18 10.589 -0.066 -8.319 1.00 0.00 C ATOM 281 CG GLU A 18 10.431 -0.891 -9.597 1.00 0.00 C ATOM 282 CD GLU A 18 10.873 -2.334 -9.389 1.00 0.00 C ATOM 283 OE1 GLU A 18 12.074 -2.523 -9.098 1.00 0.00 O ATOM 284 OE2 GLU A 18 10.027 -3.226 -9.613 1.00 0.00 O ATOM 0 H GLU A 18 8.268 -0.656 -7.719 1.00 0.00 H new ATOM 0 HA GLU A 18 10.853 -1.799 -7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.942 0.810 -8.365 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.614 0.298 -8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.389 -0.871 -9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.019 -0.441 -10.397 1.00 0.00 H new ATOM 291 N PRO A 19 11.761 -0.182 -5.306 1.00 0.00 N ATOM 292 CA PRO A 19 12.184 0.486 -4.090 1.00 0.00 C ATOM 293 C PRO A 19 12.047 2.008 -4.162 1.00 0.00 C ATOM 294 O PRO A 19 11.988 2.663 -3.124 1.00 0.00 O ATOM 295 CB PRO A 19 13.651 0.097 -3.897 1.00 0.00 C ATOM 296 CG PRO A 19 13.837 -1.175 -4.725 1.00 0.00 C ATOM 297 CD PRO A 19 12.785 -1.064 -5.823 1.00 0.00 C ATOM 0 HA PRO A 19 11.551 0.179 -3.258 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.317 0.890 -4.237 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.877 -0.080 -2.846 1.00 0.00 H new ATOM 0 HG2 PRO A 19 14.842 -1.236 -5.142 1.00 0.00 H new ATOM 0 HG3 PRO A 19 13.688 -2.069 -4.120 1.00 0.00 H new ATOM 0 HD2 PRO A 19 13.218 -0.664 -6.740 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.371 -2.042 -6.067 1.00 0.00 H new ATOM 305 N SER A 20 12.020 2.577 -5.373 1.00 0.00 N ATOM 306 CA SER A 20 12.095 4.023 -5.536 1.00 0.00 C ATOM 307 C SER A 20 10.951 4.560 -6.390 1.00 0.00 C ATOM 308 O SER A 20 11.050 5.663 -6.926 1.00 0.00 O ATOM 309 CB SER A 20 13.442 4.384 -6.157 1.00 0.00 C ATOM 310 OG SER A 20 14.485 3.860 -5.365 1.00 0.00 O ATOM 0 H SER A 20 11.947 2.056 -6.247 1.00 0.00 H new ATOM 0 HA SER A 20 12.002 4.487 -4.554 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.505 3.985 -7.169 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.540 5.467 -6.234 1.00 0.00 H new ATOM 0 HG SER A 20 15.349 4.091 -5.766 1.00 0.00 H new ATOM 316 N ASP A 21 9.891 3.770 -6.568 1.00 0.00 N ATOM 317 CA ASP A 21 8.759 4.199 -7.374 1.00 0.00 C ATOM 318 C ASP A 21 7.794 5.025 -6.529 1.00 0.00 C ATOM 319 O ASP A 21 6.754 5.454 -7.024 1.00 0.00 O ATOM 320 CB ASP A 21 8.050 2.985 -7.969 1.00 0.00 C ATOM 321 CG ASP A 21 8.669 2.587 -9.305 1.00 0.00 C ATOM 322 OD1 ASP A 21 8.002 1.817 -10.030 1.00 0.00 O ATOM 323 OD2 ASP A 21 9.764 3.108 -9.609 1.00 0.00 O ATOM 0 H ASP A 21 9.797 2.837 -6.166 1.00 0.00 H new ATOM 0 HA ASP A 21 9.121 4.823 -8.191 1.00 0.00 H new ATOM 0 HB2 ASP A 21 8.110 2.148 -7.273 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.992 3.209 -8.107 1.00 0.00 H new ATOM 328 N THR A 22 8.160 5.268 -5.267 1.00 0.00 N ATOM 329 CA THR A 22 7.405 6.106 -4.347 1.00 0.00 C ATOM 330 C THR A 22 6.209 5.344 -3.784 1.00 0.00 C ATOM 331 O THR A 22 5.681 4.440 -4.429 1.00 0.00 O ATOM 332 CB THR A 22 6.961 7.392 -5.055 1.00 0.00 C ATOM 333 OG1 THR A 22 8.071 7.992 -5.687 1.00 0.00 O ATOM 334 CG2 THR A 22 6.385 8.378 -4.044 1.00 0.00 C ATOM 0 H THR A 22 9.007 4.877 -4.854 1.00 0.00 H new ATOM 0 HA THR A 22 8.046 6.380 -3.509 1.00 0.00 H new ATOM 0 HB THR A 22 6.200 7.138 -5.793 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.785 8.813 -6.140 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.073 9.287 -4.559 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.525 7.929 -3.548 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.145 8.624 -3.302 1.00 0.00 H new ATOM 342 N ILE A 23 5.760 5.740 -2.589 1.00 0.00 N ATOM 343 CA ILE A 23 4.615 5.125 -1.938 1.00 0.00 C ATOM 344 C ILE A 23 3.401 5.158 -2.862 1.00 0.00 C ATOM 345 O ILE A 23 2.539 4.286 -2.782 1.00 0.00 O ATOM 346 CB ILE A 23 4.317 5.870 -0.633 1.00 0.00 C ATOM 347 CG1 ILE A 23 5.444 5.640 0.380 1.00 0.00 C ATOM 348 CG2 ILE A 23 2.993 5.389 -0.039 1.00 0.00 C ATOM 349 CD1 ILE A 23 5.473 4.188 0.856 1.00 0.00 C ATOM 0 H ILE A 23 6.185 6.496 -2.052 1.00 0.00 H new ATOM 0 HA ILE A 23 4.842 4.083 -1.712 1.00 0.00 H new ATOM 0 HB ILE A 23 4.246 6.935 -0.854 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.402 5.896 -0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 23 5.309 6.303 1.235 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.793 5.927 0.888 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.187 5.577 -0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.054 4.320 0.167 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.283 4.056 1.573 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.524 3.942 1.331 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.633 3.529 0.003 1.00 0.00 H new ATOM 361 N GLU A 24 3.321 6.173 -3.727 1.00 0.00 N ATOM 362 CA GLU A 24 2.200 6.319 -4.635 1.00 0.00 C ATOM 363 C GLU A 24 2.051 5.078 -5.508 1.00 0.00 C ATOM 364 O GLU A 24 0.938 4.711 -5.880 1.00 0.00 O ATOM 365 CB GLU A 24 2.410 7.562 -5.496 1.00 0.00 C ATOM 366 CG GLU A 24 1.228 7.742 -6.446 1.00 0.00 C ATOM 367 CD GLU A 24 1.354 9.048 -7.218 1.00 0.00 C ATOM 368 OE1 GLU A 24 0.994 10.090 -6.629 1.00 0.00 O ATOM 369 OE2 GLU A 24 1.841 8.985 -8.368 1.00 0.00 O ATOM 0 H GLU A 24 4.027 6.904 -3.811 1.00 0.00 H new ATOM 0 HA GLU A 24 1.282 6.432 -4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.514 8.442 -4.861 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.335 7.469 -6.066 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.184 6.905 -7.142 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.296 7.736 -5.881 1.00 0.00 H new ATOM 376 N ASN A 25 3.169 4.418 -5.819 1.00 0.00 N ATOM 377 CA ASN A 25 3.144 3.249 -6.675 1.00 0.00 C ATOM 378 C ASN A 25 2.509 2.070 -5.949 1.00 0.00 C ATOM 379 O ASN A 25 1.910 1.203 -6.582 1.00 0.00 O ATOM 380 CB ASN A 25 4.565 2.904 -7.103 1.00 0.00 C ATOM 381 CG ASN A 25 4.553 1.831 -8.180 1.00 0.00 C ATOM 382 OD1 ASN A 25 4.841 0.669 -7.905 1.00 0.00 O ATOM 383 ND2 ASN A 25 4.202 2.220 -9.406 1.00 0.00 N ATOM 0 H ASN A 25 4.097 4.679 -5.487 1.00 0.00 H new ATOM 0 HA ASN A 25 2.545 3.467 -7.559 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.065 3.797 -7.477 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.136 2.556 -6.242 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.164 1.540 -10.165 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.972 3.197 -9.584 1.00 0.00 H new ATOM 390 N VAL A 26 2.612 2.047 -4.618 1.00 0.00 N ATOM 391 CA VAL A 26 2.025 0.976 -3.837 1.00 0.00 C ATOM 392 C VAL A 26 0.510 1.024 -3.985 1.00 0.00 C ATOM 393 O VAL A 26 -0.146 -0.014 -4.001 1.00 0.00 O ATOM 394 CB VAL A 26 2.435 1.131 -2.371 1.00 0.00 C ATOM 395 CG1 VAL A 26 1.839 -0.004 -1.540 1.00 0.00 C ATOM 396 CG2 VAL A 26 3.957 1.096 -2.252 1.00 0.00 C ATOM 0 H VAL A 26 3.095 2.758 -4.069 1.00 0.00 H new ATOM 0 HA VAL A 26 2.382 0.010 -4.194 1.00 0.00 H new ATOM 0 HB VAL A 26 2.062 2.086 -2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.136 0.114 -0.498 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.752 0.024 -1.613 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.204 -0.960 -1.915 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.243 1.207 -1.206 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.330 0.145 -2.631 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.386 1.912 -2.834 1.00 0.00 H new ATOM 406 N LYS A 27 -0.039 2.228 -4.161 1.00 0.00 N ATOM 407 CA LYS A 27 -1.465 2.400 -4.362 1.00 0.00 C ATOM 408 C LYS A 27 -1.818 2.127 -5.819 1.00 0.00 C ATOM 409 O LYS A 27 -2.937 1.717 -6.120 1.00 0.00 O ATOM 410 CB LYS A 27 -1.863 3.826 -3.985 1.00 0.00 C ATOM 411 CG LYS A 27 -1.574 4.075 -2.504 1.00 0.00 C ATOM 412 CD LYS A 27 -2.072 5.462 -2.098 1.00 0.00 C ATOM 413 CE LYS A 27 -1.289 6.540 -2.846 1.00 0.00 C ATOM 414 NZ LYS A 27 -1.730 7.888 -2.451 1.00 0.00 N ATOM 0 H LYS A 27 0.493 3.098 -4.167 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.008 1.697 -3.731 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.312 4.540 -4.597 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.922 3.983 -4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.062 3.313 -1.897 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.503 3.995 -2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.135 5.554 -2.319 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.957 5.598 -1.023 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.224 6.428 -2.641 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.422 6.411 -3.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.182 8.600 -2.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.741 8.000 -2.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.580 8.017 -1.430 1.00 0.00 H new ATOM 428 N ALA A 28 -0.860 2.353 -6.723 1.00 0.00 N ATOM 429 CA ALA A 28 -1.096 2.192 -8.146 1.00 0.00 C ATOM 430 C ALA A 28 -1.276 0.720 -8.499 1.00 0.00 C ATOM 431 O ALA A 28 -2.122 0.384 -9.325 1.00 0.00 O ATOM 432 CB ALA A 28 0.083 2.780 -8.920 1.00 0.00 C ATOM 0 H ALA A 28 0.087 2.649 -6.485 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.011 2.719 -8.418 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.089 2.662 -9.990 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.182 3.839 -8.683 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.998 2.259 -8.640 1.00 0.00 H new ATOM 438 N LYS A 29 -0.525 -0.165 -7.837 1.00 0.00 N ATOM 439 CA LYS A 29 -0.611 -1.587 -8.119 1.00 0.00 C ATOM 440 C LYS A 29 -1.835 -2.187 -7.441 1.00 0.00 C ATOM 441 O LYS A 29 -2.325 -3.231 -7.866 1.00 0.00 O ATOM 442 CB LYS A 29 0.663 -2.282 -7.638 1.00 0.00 C ATOM 443 CG LYS A 29 1.849 -1.908 -8.528 1.00 0.00 C ATOM 444 CD LYS A 29 1.661 -2.514 -9.917 1.00 0.00 C ATOM 445 CE LYS A 29 2.912 -2.274 -10.756 1.00 0.00 C ATOM 446 NZ LYS A 29 2.794 -2.924 -12.071 1.00 0.00 N ATOM 0 H LYS A 29 0.143 0.083 -7.108 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.711 -1.734 -9.194 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.872 -1.998 -6.607 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.520 -3.363 -7.648 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.933 -0.824 -8.602 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.777 -2.270 -8.085 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.466 -3.583 -9.835 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.794 -2.069 -10.404 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.067 -1.203 -10.888 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.786 -2.660 -10.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.657 -2.747 -12.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.669 -3.948 -11.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.972 -2.536 -12.577 1.00 0.00 H new ATOM 460 N ILE A 30 -2.366 -1.510 -6.421 1.00 0.00 N ATOM 461 CA ILE A 30 -3.565 -1.983 -5.758 1.00 0.00 C ATOM 462 C ILE A 30 -4.781 -1.526 -6.553 1.00 0.00 C ATOM 463 O ILE A 30 -5.782 -2.236 -6.619 1.00 0.00 O ATOM 464 CB ILE A 30 -3.609 -1.441 -4.330 1.00 0.00 C ATOM 465 CG1 ILE A 30 -2.450 -2.034 -3.525 1.00 0.00 C ATOM 466 CG2 ILE A 30 -4.935 -1.832 -3.678 1.00 0.00 C ATOM 467 CD1 ILE A 30 -2.327 -1.335 -2.172 1.00 0.00 C ATOM 0 H ILE A 30 -1.984 -0.642 -6.045 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.565 -3.072 -5.708 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.520 -0.355 -4.350 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.611 -3.102 -3.376 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -1.520 -1.927 -4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.967 -1.446 -2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.761 -1.411 -4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.024 -2.918 -3.657 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.498 -1.769 -1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.143 -0.272 -2.327 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.252 -1.465 -1.610 1.00 0.00 H new ATOM 479 N GLN A 31 -4.673 -0.366 -7.207 1.00 0.00 N ATOM 480 CA GLN A 31 -5.728 0.116 -8.077 1.00 0.00 C ATOM 481 C GLN A 31 -5.866 -0.826 -9.265 1.00 0.00 C ATOM 482 O GLN A 31 -6.960 -1.011 -9.792 1.00 0.00 O ATOM 483 CB GLN A 31 -5.397 1.529 -8.552 1.00 0.00 C ATOM 484 CG GLN A 31 -6.557 2.065 -9.390 1.00 0.00 C ATOM 485 CD GLN A 31 -6.241 3.442 -9.955 1.00 0.00 C ATOM 486 OE1 GLN A 31 -5.252 4.064 -9.574 1.00 0.00 O ATOM 487 NE2 GLN A 31 -7.069 3.907 -10.892 1.00 0.00 N ATOM 0 H GLN A 31 -3.863 0.250 -7.145 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.672 0.145 -7.533 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.220 2.181 -7.696 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.480 1.521 -9.142 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.768 1.374 -10.206 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.457 2.119 -8.777 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.878 3.355 -11.177 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.893 4.814 -11.324 1.00 0.00 H new ATOM 496 N ASP A 32 -4.748 -1.420 -9.686 1.00 0.00 N ATOM 497 CA ASP A 32 -4.732 -2.342 -10.806 1.00 0.00 C ATOM 498 C ASP A 32 -5.256 -3.707 -10.371 1.00 0.00 C ATOM 499 O ASP A 32 -5.778 -4.461 -11.190 1.00 0.00 O ATOM 500 CB ASP A 32 -3.299 -2.458 -11.328 1.00 0.00 C ATOM 501 CG ASP A 32 -3.215 -3.386 -12.534 1.00 0.00 C ATOM 502 OD1 ASP A 32 -2.675 -4.498 -12.347 1.00 0.00 O ATOM 503 OD2 ASP A 32 -3.456 -2.877 -13.651 1.00 0.00 O ATOM 0 H ASP A 32 -3.835 -1.271 -9.257 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.379 -1.970 -11.601 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.930 -1.470 -11.602 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.651 -2.831 -10.535 1.00 0.00 H new ATOM 508 N LYS A 33 -5.122 -4.024 -9.080 1.00 0.00 N ATOM 509 CA LYS A 33 -5.489 -5.332 -8.572 1.00 0.00 C ATOM 510 C LYS A 33 -6.933 -5.335 -8.084 1.00 0.00 C ATOM 511 O LYS A 33 -7.757 -6.099 -8.583 1.00 0.00 O ATOM 512 CB LYS A 33 -4.536 -5.706 -7.435 1.00 0.00 C ATOM 513 CG LYS A 33 -4.759 -7.152 -6.990 1.00 0.00 C ATOM 514 CD LYS A 33 -4.386 -8.109 -8.121 1.00 0.00 C ATOM 515 CE LYS A 33 -4.479 -9.549 -7.623 1.00 0.00 C ATOM 516 NZ LYS A 33 -4.142 -10.502 -8.692 1.00 0.00 N ATOM 0 H LYS A 33 -4.760 -3.385 -8.372 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.409 -6.068 -9.372 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.504 -5.577 -7.762 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.689 -5.034 -6.591 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.157 -7.367 -6.107 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.802 -7.298 -6.708 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.054 -7.963 -8.970 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.375 -7.899 -8.471 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.803 -9.690 -6.780 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.487 -9.747 -7.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.213 -11.473 -8.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.803 -10.381 -9.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.171 -10.326 -9.021 1.00 0.00 H new ATOM 530 N GLU A 34 -7.236 -4.494 -7.094 1.00 0.00 N ATOM 531 CA GLU A 34 -8.555 -4.470 -6.493 1.00 0.00 C ATOM 532 C GLU A 34 -9.479 -3.539 -7.273 1.00 0.00 C ATOM 533 O GLU A 34 -10.696 -3.599 -7.115 1.00 0.00 O ATOM 534 CB GLU A 34 -8.433 -4.014 -5.040 1.00 0.00 C ATOM 535 CG GLU A 34 -9.716 -4.336 -4.275 1.00 0.00 C ATOM 536 CD GLU A 34 -10.017 -5.829 -4.306 1.00 0.00 C ATOM 537 OE1 GLU A 34 -10.786 -6.241 -5.201 1.00 0.00 O ATOM 538 OE2 GLU A 34 -9.493 -6.532 -3.414 1.00 0.00 O ATOM 0 H GLU A 34 -6.579 -3.822 -6.696 1.00 0.00 H new ATOM 0 HA GLU A 34 -8.986 -5.471 -6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.585 -4.508 -4.566 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.238 -2.942 -5.003 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.619 -4.003 -3.241 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.550 -3.785 -4.710 1.00 0.00 H new ATOM 545 N GLY A 35 -8.906 -2.703 -8.142 1.00 0.00 N ATOM 546 CA GLY A 35 -9.687 -1.812 -8.981 1.00 0.00 C ATOM 547 C GLY A 35 -10.073 -0.537 -8.236 1.00 0.00 C ATOM 548 O GLY A 35 -10.612 0.387 -8.842 1.00 0.00 O ATOM 0 H GLY A 35 -7.898 -2.630 -8.278 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.114 -1.555 -9.872 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.588 -2.325 -9.318 1.00 0.00 H new ATOM 552 N ILE A 36 -9.791 -0.477 -6.931 1.00 0.00 N ATOM 553 CA ILE A 36 -10.139 0.678 -6.119 1.00 0.00 C ATOM 554 C ILE A 36 -9.261 1.867 -6.501 1.00 0.00 C ATOM 555 O ILE A 36 -8.050 1.827 -6.295 1.00 0.00 O ATOM 556 CB ILE A 36 -9.954 0.334 -4.639 1.00 0.00 C ATOM 557 CG1 ILE A 36 -10.811 -0.883 -4.285 1.00 0.00 C ATOM 558 CG2 ILE A 36 -10.366 1.530 -3.780 1.00 0.00 C ATOM 559 CD1 ILE A 36 -10.554 -1.317 -2.843 1.00 0.00 C ATOM 0 H ILE A 36 -9.320 -1.222 -6.418 1.00 0.00 H new ATOM 0 HA ILE A 36 -11.181 0.946 -6.295 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.907 0.101 -4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.866 -0.643 -4.416 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.584 -1.705 -4.964 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.234 1.284 -2.726 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.746 2.390 -4.032 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -11.413 1.770 -3.968 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -11.172 -2.184 -2.608 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.502 -1.578 -2.723 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.804 -0.499 -2.167 1.00 0.00 H new ATOM 571 N PRO A 37 -9.872 2.946 -7.008 1.00 0.00 N ATOM 572 CA PRO A 37 -9.172 4.154 -7.397 1.00 0.00 C ATOM 573 C PRO A 37 -8.430 4.762 -6.210 1.00 0.00 C ATOM 574 O PRO A 37 -8.708 4.420 -5.062 1.00 0.00 O ATOM 575 CB PRO A 37 -10.247 5.114 -7.911 1.00 0.00 C ATOM 576 CG PRO A 37 -11.449 4.224 -8.228 1.00 0.00 C ATOM 577 CD PRO A 37 -11.288 3.030 -7.292 1.00 0.00 C ATOM 0 HA PRO A 37 -8.421 3.948 -8.160 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.498 5.865 -7.161 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.907 5.650 -8.797 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.389 4.746 -8.049 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.450 3.914 -9.273 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.864 3.169 -6.377 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.649 2.114 -7.760 1.00 0.00 H new ATOM 585 N PRO A 38 -7.549 5.731 -6.479 1.00 0.00 N ATOM 586 CA PRO A 38 -6.807 6.446 -5.462 1.00 0.00 C ATOM 587 C PRO A 38 -7.754 7.179 -4.518 1.00 0.00 C ATOM 588 O PRO A 38 -8.937 7.330 -4.818 1.00 0.00 O ATOM 589 CB PRO A 38 -5.918 7.439 -6.215 1.00 0.00 C ATOM 590 CG PRO A 38 -5.864 6.908 -7.648 1.00 0.00 C ATOM 591 CD PRO A 38 -7.172 6.142 -7.811 1.00 0.00 C ATOM 0 HA PRO A 38 -6.216 5.767 -4.847 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.334 8.446 -6.182 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.922 7.491 -5.775 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.785 7.720 -8.371 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.001 6.260 -7.801 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.941 6.771 -8.260 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.043 5.280 -8.465 1.00 0.00 H new ATOM 599 N ASP A 39 -7.211 7.670 -3.400 1.00 0.00 N ATOM 600 CA ASP A 39 -7.938 8.453 -2.409 1.00 0.00 C ATOM 601 C ASP A 39 -8.901 7.584 -1.609 1.00 0.00 C ATOM 602 O ASP A 39 -9.042 7.767 -0.401 1.00 0.00 O ATOM 603 CB ASP A 39 -8.678 9.607 -3.083 1.00 0.00 C ATOM 604 CG ASP A 39 -9.169 10.601 -2.040 1.00 0.00 C ATOM 605 OD1 ASP A 39 -10.351 10.478 -1.652 1.00 0.00 O ATOM 606 OD2 ASP A 39 -8.314 11.364 -1.541 1.00 0.00 O ATOM 0 H ASP A 39 -6.230 7.528 -3.158 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.213 8.867 -1.708 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.017 10.108 -3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.523 9.222 -3.654 1.00 0.00 H new ATOM 611 N GLN A 40 -9.556 6.631 -2.274 1.00 0.00 N ATOM 612 CA GLN A 40 -10.483 5.737 -1.609 1.00 0.00 C ATOM 613 C GLN A 40 -9.704 4.798 -0.695 1.00 0.00 C ATOM 614 O GLN A 40 -10.273 4.200 0.217 1.00 0.00 O ATOM 615 CB GLN A 40 -11.267 4.952 -2.661 1.00 0.00 C ATOM 616 CG GLN A 40 -12.213 5.902 -3.397 1.00 0.00 C ATOM 617 CD GLN A 40 -12.980 5.180 -4.497 1.00 0.00 C ATOM 618 OE1 GLN A 40 -13.543 4.111 -4.270 1.00 0.00 O ATOM 619 NE2 GLN A 40 -13.037 5.785 -5.685 1.00 0.00 N ATOM 0 H GLN A 40 -9.456 6.465 -3.275 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.189 6.305 -1.003 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -10.582 4.483 -3.367 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.834 4.151 -2.187 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.916 6.340 -2.688 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.642 6.724 -3.829 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.554 6.672 -5.829 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.563 5.361 -6.449 1.00 0.00 H new ATOM 628 N GLN A 41 -8.394 4.686 -0.936 1.00 0.00 N ATOM 629 CA GLN A 41 -7.514 3.866 -0.127 1.00 0.00 C ATOM 630 C GLN A 41 -6.451 4.737 0.532 1.00 0.00 C ATOM 631 O GLN A 41 -6.172 5.839 0.064 1.00 0.00 O ATOM 632 CB GLN A 41 -6.886 2.785 -1.007 1.00 0.00 C ATOM 633 CG GLN A 41 -5.954 3.421 -2.039 1.00 0.00 C ATOM 634 CD GLN A 41 -5.382 2.367 -2.978 1.00 0.00 C ATOM 635 OE1 GLN A 41 -4.530 1.576 -2.582 1.00 0.00 O ATOM 636 NE2 GLN A 41 -5.846 2.361 -4.229 1.00 0.00 N ATOM 0 H GLN A 41 -7.922 5.166 -1.702 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.081 3.379 0.667 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.330 2.080 -0.389 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.667 2.218 -1.513 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.499 4.169 -2.615 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.142 3.940 -1.530 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.554 3.038 -4.513 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.492 1.680 -4.901 1.00 0.00 H new ATOM 645 N ARG A 42 -5.824 4.220 1.592 1.00 0.00 N ATOM 646 CA ARG A 42 -4.769 4.929 2.295 1.00 0.00 C ATOM 647 C ARG A 42 -3.856 3.926 2.986 1.00 0.00 C ATOM 648 O ARG A 42 -4.317 2.884 3.448 1.00 0.00 O ATOM 649 CB ARG A 42 -5.393 5.898 3.296 1.00 0.00 C ATOM 650 CG ARG A 42 -5.077 7.331 2.872 1.00 0.00 C ATOM 651 CD ARG A 42 -6.157 8.273 3.393 1.00 0.00 C ATOM 652 NE ARG A 42 -7.397 8.105 2.632 1.00 0.00 N ATOM 653 CZ ARG A 42 -8.618 8.079 3.180 1.00 0.00 C ATOM 654 NH1 ARG A 42 -8.764 8.197 4.506 1.00 0.00 N ATOM 655 NH2 ARG A 42 -9.696 7.947 2.399 1.00 0.00 N ATOM 0 H ARG A 42 -6.037 3.301 1.980 1.00 0.00 H new ATOM 0 HA ARG A 42 -4.167 5.505 1.592 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.472 5.749 3.341 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -5.003 5.708 4.296 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.103 7.629 3.261 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.019 7.394 1.785 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.342 8.075 4.449 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.814 9.305 3.318 1.00 0.00 H new ATOM 0 HE ARG A 42 -7.326 8.001 1.620 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.943 8.307 5.102 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.696 8.177 4.920 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -9.587 7.866 1.388 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.627 7.927 2.814 1.00 0.00 H new ATOM 669 N LEU A 43 -2.555 4.226 3.022 1.00 0.00 N ATOM 670 CA LEU A 43 -1.560 3.301 3.531 1.00 0.00 C ATOM 671 C LEU A 43 -1.129 3.710 4.935 1.00 0.00 C ATOM 672 O LEU A 43 -1.199 4.884 5.293 1.00 0.00 O ATOM 673 CB LEU A 43 -0.351 3.327 2.595 1.00 0.00 C ATOM 674 CG LEU A 43 -0.597 2.479 1.346 1.00 0.00 C ATOM 675 CD1 LEU A 43 0.515 2.722 0.330 1.00 0.00 C ATOM 676 CD2 LEU A 43 -0.630 0.993 1.702 1.00 0.00 C ATOM 0 H LEU A 43 -2.171 5.114 2.699 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.982 2.297 3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.137 4.355 2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.528 2.956 3.122 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.559 2.766 0.921 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.335 2.116 -0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.531 3.776 0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.475 2.448 0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.806 0.407 0.800 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.324 0.703 2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.431 0.808 2.417 1.00 0.00 H new ATOM 688 N ALA A 44 -0.630 2.742 5.710 1.00 0.00 N ATOM 689 CA ALA A 44 -0.089 2.994 7.034 1.00 0.00 C ATOM 690 C ALA A 44 0.817 1.838 7.451 1.00 0.00 C ATOM 691 O ALA A 44 0.775 0.765 6.851 1.00 0.00 O ATOM 692 CB ALA A 44 -1.236 3.150 8.032 1.00 0.00 C ATOM 0 H ALA A 44 -0.593 1.762 5.429 1.00 0.00 H new ATOM 0 HA ALA A 44 0.498 3.912 7.018 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.830 3.339 9.026 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.868 3.986 7.733 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.829 2.236 8.050 1.00 0.00 H new ATOM 698 N PHE A 45 1.611 2.045 8.504 1.00 0.00 N ATOM 699 CA PHE A 45 2.487 1.015 9.035 1.00 0.00 C ATOM 700 C PHE A 45 2.584 1.145 10.549 1.00 0.00 C ATOM 701 O PHE A 45 3.224 2.066 11.049 1.00 0.00 O ATOM 702 CB PHE A 45 3.866 1.127 8.386 1.00 0.00 C ATOM 703 CG PHE A 45 4.762 -0.056 8.675 1.00 0.00 C ATOM 704 CD1 PHE A 45 5.297 -0.234 9.958 1.00 0.00 C ATOM 705 CD2 PHE A 45 5.037 -0.990 7.669 1.00 0.00 C ATOM 706 CE1 PHE A 45 6.121 -1.334 10.226 1.00 0.00 C ATOM 707 CE2 PHE A 45 5.858 -2.091 7.938 1.00 0.00 C ATOM 708 CZ PHE A 45 6.403 -2.262 9.216 1.00 0.00 C ATOM 0 H PHE A 45 1.660 2.931 9.007 1.00 0.00 H new ATOM 0 HA PHE A 45 2.076 0.032 8.804 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.745 1.227 7.307 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.353 2.037 8.738 1.00 0.00 H new ATOM 0 HD1 PHE A 45 5.074 0.477 10.740 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.615 -0.861 6.683 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.539 -1.467 11.213 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.071 -2.809 7.160 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.040 -3.109 9.423 1.00 0.00 H new ATOM 718 N ALA A 46 1.982 0.201 11.278 1.00 0.00 N ATOM 719 CA ALA A 46 1.993 0.213 12.732 1.00 0.00 C ATOM 720 C ALA A 46 1.508 1.557 13.275 1.00 0.00 C ATOM 721 O ALA A 46 1.810 1.911 14.413 1.00 0.00 O ATOM 722 CB ALA A 46 3.398 -0.115 13.234 1.00 0.00 C ATOM 0 H ALA A 46 1.477 -0.587 10.873 1.00 0.00 H new ATOM 0 HA ALA A 46 1.304 -0.548 13.098 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.406 -0.106 14.324 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.691 -1.102 12.877 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.101 0.629 12.860 1.00 0.00 H new ATOM 728 N GLY A 47 0.778 2.315 12.452 1.00 0.00 N ATOM 729 CA GLY A 47 0.208 3.586 12.862 1.00 0.00 C ATOM 730 C GLY A 47 0.988 4.754 12.273 1.00 0.00 C ATOM 731 O GLY A 47 0.531 5.894 12.334 1.00 0.00 O ATOM 0 H GLY A 47 0.570 2.059 11.487 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.832 3.641 12.542 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.211 3.655 13.950 1.00 0.00 H new ATOM 735 N LYS A 48 2.139 4.471 11.662 1.00 0.00 N ATOM 736 CA LYS A 48 2.943 5.502 11.038 1.00 0.00 C ATOM 737 C LYS A 48 2.302 5.899 9.718 1.00 0.00 C ATOM 738 O LYS A 48 2.044 5.046 8.871 1.00 0.00 O ATOM 739 CB LYS A 48 4.361 4.981 10.804 1.00 0.00 C ATOM 740 CG LYS A 48 4.977 4.521 12.124 1.00 0.00 C ATOM 741 CD LYS A 48 6.392 4.004 11.878 1.00 0.00 C ATOM 742 CE LYS A 48 6.981 3.500 13.193 1.00 0.00 C ATOM 743 NZ LYS A 48 8.350 2.999 12.999 1.00 0.00 N ATOM 0 H LYS A 48 2.529 3.531 11.590 1.00 0.00 H new ATOM 0 HA LYS A 48 2.997 6.374 11.689 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.340 4.153 10.096 1.00 0.00 H new ATOM 0 HB3 LYS A 48 4.976 5.764 10.360 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.000 5.348 12.834 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.365 3.736 12.568 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.375 3.200 11.142 1.00 0.00 H new ATOM 0 HD3 LYS A 48 7.016 4.798 11.468 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.985 4.306 13.926 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.353 2.706 13.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.728 2.662 13.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.339 2.215 12.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.952 3.765 12.636 1.00 0.00 H new ATOM 757 N GLN A 49 2.007 7.191 9.566 1.00 0.00 N ATOM 758 CA GLN A 49 1.397 7.711 8.358 1.00 0.00 C ATOM 759 C GLN A 49 2.404 7.699 7.217 1.00 0.00 C ATOM 760 O GLN A 49 3.454 8.333 7.308 1.00 0.00 O ATOM 761 CB GLN A 49 0.896 9.135 8.608 1.00 0.00 C ATOM 762 CG GLN A 49 0.140 9.220 9.936 1.00 0.00 C ATOM 763 CD GLN A 49 -0.273 10.656 10.233 1.00 0.00 C ATOM 764 OE1 GLN A 49 0.251 11.272 11.159 1.00 0.00 O ATOM 765 NE2 GLN A 49 -1.193 11.198 9.434 1.00 0.00 N ATOM 0 H GLN A 49 2.187 7.898 10.279 1.00 0.00 H new ATOM 0 HA GLN A 49 0.552 7.080 8.082 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.740 9.825 8.620 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.243 9.444 7.792 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.744 8.583 9.898 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.769 8.844 10.743 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -1.600 10.647 8.678 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.490 12.163 9.579 1.00 0.00 H new ATOM 774 N LEU A 50 2.098 6.956 6.151 1.00 0.00 N ATOM 775 CA LEU A 50 2.954 6.929 4.983 1.00 0.00 C ATOM 776 C LEU A 50 2.520 8.038 4.040 1.00 0.00 C ATOM 777 O LEU A 50 1.365 8.462 4.072 1.00 0.00 O ATOM 778 CB LEU A 50 2.863 5.564 4.301 1.00 0.00 C ATOM 779 CG LEU A 50 3.270 4.456 5.275 1.00 0.00 C ATOM 780 CD1 LEU A 50 3.164 3.104 4.577 1.00 0.00 C ATOM 781 CD2 LEU A 50 4.709 4.654 5.748 1.00 0.00 C ATOM 0 H LEU A 50 1.266 6.371 6.081 1.00 0.00 H new ATOM 0 HA LEU A 50 3.993 7.089 5.272 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.846 5.393 3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.511 5.544 3.425 1.00 0.00 H new ATOM 0 HG LEU A 50 2.604 4.492 6.137 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.454 2.313 5.269 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.137 2.942 4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.826 3.089 3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.978 3.855 6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.380 4.632 4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.797 5.616 6.253 1.00 0.00 H new ATOM 793 N GLU A 51 3.444 8.515 3.208 1.00 0.00 N ATOM 794 CA GLU A 51 3.141 9.580 2.274 1.00 0.00 C ATOM 795 C GLU A 51 3.957 9.393 1.003 1.00 0.00 C ATOM 796 O GLU A 51 5.018 8.772 1.028 1.00 0.00 O ATOM 797 CB GLU A 51 3.453 10.923 2.937 1.00 0.00 C ATOM 798 CG GLU A 51 2.922 12.087 2.099 1.00 0.00 C ATOM 799 CD GLU A 51 3.072 13.401 2.855 1.00 0.00 C ATOM 800 OE1 GLU A 51 4.015 14.149 2.520 1.00 0.00 O ATOM 801 OE2 GLU A 51 2.266 13.615 3.787 1.00 0.00 O ATOM 0 H GLU A 51 4.405 8.177 3.167 1.00 0.00 H new ATOM 0 HA GLU A 51 2.085 9.558 2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.007 10.954 3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.530 11.026 3.067 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.464 12.140 1.155 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.873 11.919 1.855 1.00 0.00 H new ATOM 808 N ASP A 52 3.451 9.925 -0.112 1.00 0.00 N ATOM 809 CA ASP A 52 4.142 9.851 -1.386 1.00 0.00 C ATOM 810 C ASP A 52 5.132 11.004 -1.511 1.00 0.00 C ATOM 811 O ASP A 52 5.042 11.988 -0.780 1.00 0.00 O ATOM 812 CB ASP A 52 3.131 9.873 -2.534 1.00 0.00 C ATOM 813 CG ASP A 52 2.367 11.192 -2.589 1.00 0.00 C ATOM 814 OD1 ASP A 52 1.333 11.281 -1.891 1.00 0.00 O ATOM 815 OD2 ASP A 52 2.761 12.040 -3.417 1.00 0.00 O ATOM 0 H ASP A 52 2.557 10.414 -0.150 1.00 0.00 H new ATOM 0 HA ASP A 52 4.698 8.915 -1.438 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.650 9.714 -3.479 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.427 9.050 -2.414 1.00 0.00 H new ATOM 820 N GLY A 53 6.078 10.880 -2.445 1.00 0.00 N ATOM 821 CA GLY A 53 7.077 11.908 -2.671 1.00 0.00 C ATOM 822 C GLY A 53 8.414 11.483 -2.080 1.00 0.00 C ATOM 823 O GLY A 53 9.366 12.260 -2.080 1.00 0.00 O ATOM 0 H GLY A 53 6.167 10.069 -3.057 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.186 12.091 -3.740 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.753 12.845 -2.219 1.00 0.00 H new ATOM 827 N ARG A 54 8.475 10.263 -1.540 1.00 0.00 N ATOM 828 CA ARG A 54 9.684 9.760 -0.918 1.00 0.00 C ATOM 829 C ARG A 54 9.920 8.308 -1.324 1.00 0.00 C ATOM 830 O ARG A 54 8.973 7.575 -1.600 1.00 0.00 O ATOM 831 CB ARG A 54 9.542 9.894 0.599 1.00 0.00 C ATOM 832 CG ARG A 54 10.764 9.324 1.315 1.00 0.00 C ATOM 833 CD ARG A 54 10.613 9.543 2.817 1.00 0.00 C ATOM 834 NE ARG A 54 11.668 8.848 3.557 1.00 0.00 N ATOM 835 CZ ARG A 54 11.589 8.561 4.863 1.00 0.00 C ATOM 836 NH1 ARG A 54 10.517 8.941 5.570 1.00 0.00 N ATOM 837 NH2 ARG A 54 12.574 7.880 5.459 1.00 0.00 N ATOM 0 H ARG A 54 7.692 9.609 -1.526 1.00 0.00 H new ATOM 0 HA ARG A 54 10.547 10.338 -1.250 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.417 10.944 0.865 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.645 9.372 0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.864 8.260 1.099 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.671 9.809 0.954 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.651 10.610 3.038 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.637 9.184 3.144 1.00 0.00 H new ATOM 0 HE ARG A 54 12.508 8.567 3.051 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.759 9.450 5.114 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.458 8.722 6.564 1.00 0.00 H new ATOM 0 HH21 ARG A 54 13.385 7.579 4.919 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.514 7.662 6.454 1.00 0.00 H new ATOM 851 N THR A 55 11.186 7.883 -1.275 1.00 0.00 N ATOM 852 CA THR A 55 11.582 6.513 -1.549 1.00 0.00 C ATOM 853 C THR A 55 10.899 5.590 -0.549 1.00 0.00 C ATOM 854 O THR A 55 11.149 5.682 0.651 1.00 0.00 O ATOM 855 CB THR A 55 13.103 6.411 -1.433 1.00 0.00 C ATOM 856 OG1 THR A 55 13.687 7.358 -2.300 1.00 0.00 O ATOM 857 CG2 THR A 55 13.575 5.016 -1.828 1.00 0.00 C ATOM 0 H THR A 55 11.968 8.494 -1.040 1.00 0.00 H new ATOM 0 HA THR A 55 11.283 6.218 -2.555 1.00 0.00 H new ATOM 0 HB THR A 55 13.398 6.603 -0.401 1.00 0.00 H new ATOM 0 HG1 THR A 55 14.663 7.304 -2.234 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.660 4.960 -1.740 1.00 0.00 H new ATOM 0 HG22 THR A 55 13.119 4.277 -1.169 1.00 0.00 H new ATOM 0 HG23 THR A 55 13.284 4.812 -2.858 1.00 0.00 H new ATOM 865 N LEU A 56 9.998 4.733 -1.035 1.00 0.00 N ATOM 866 CA LEU A 56 9.211 3.888 -0.157 1.00 0.00 C ATOM 867 C LEU A 56 10.089 2.896 0.600 1.00 0.00 C ATOM 868 O LEU A 56 9.771 2.545 1.734 1.00 0.00 O ATOM 869 CB LEU A 56 8.124 3.171 -0.964 1.00 0.00 C ATOM 870 CG LEU A 56 8.712 2.258 -2.043 1.00 0.00 C ATOM 871 CD1 LEU A 56 8.902 0.839 -1.507 1.00 0.00 C ATOM 872 CD2 LEU A 56 7.735 2.200 -3.214 1.00 0.00 C ATOM 0 H LEU A 56 9.801 4.612 -2.029 1.00 0.00 H new ATOM 0 HA LEU A 56 8.730 4.518 0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.503 2.581 -0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.473 3.910 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 56 9.679 2.655 -2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 56 9.321 0.207 -2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.582 0.860 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.939 0.437 -1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.139 1.553 -3.993 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.780 1.803 -2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.588 3.203 -3.615 1.00 0.00 H new ATOM 884 N SER A 57 11.211 2.475 0.008 1.00 0.00 N ATOM 885 CA SER A 57 12.074 1.501 0.654 1.00 0.00 C ATOM 886 C SER A 57 12.816 2.142 1.822 1.00 0.00 C ATOM 887 O SER A 57 13.238 1.448 2.745 1.00 0.00 O ATOM 888 CB SER A 57 13.064 0.942 -0.365 1.00 0.00 C ATOM 889 OG SER A 57 13.884 1.981 -0.852 1.00 0.00 O ATOM 0 H SER A 57 11.534 2.793 -0.906 1.00 0.00 H new ATOM 0 HA SER A 57 11.465 0.685 1.044 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.677 0.168 0.096 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.526 0.474 -1.189 1.00 0.00 H new ATOM 0 HG SER A 57 13.541 2.291 -1.716 1.00 0.00 H new ATOM 895 N ASP A 58 12.947 3.471 1.801 1.00 0.00 N ATOM 896 CA ASP A 58 13.608 4.191 2.872 1.00 0.00 C ATOM 897 C ASP A 58 12.578 4.640 3.902 1.00 0.00 C ATOM 898 O ASP A 58 12.930 4.972 5.032 1.00 0.00 O ATOM 899 CB ASP A 58 14.343 5.393 2.285 1.00 0.00 C ATOM 900 CG ASP A 58 15.163 6.109 3.350 1.00 0.00 C ATOM 901 OD1 ASP A 58 14.682 7.161 3.827 1.00 0.00 O ATOM 902 OD2 ASP A 58 16.306 5.659 3.580 1.00 0.00 O ATOM 0 H ASP A 58 12.600 4.064 1.047 1.00 0.00 H new ATOM 0 HA ASP A 58 14.329 3.542 3.368 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.998 5.064 1.478 1.00 0.00 H new ATOM 0 HB3 ASP A 58 13.623 6.086 1.849 1.00 0.00 H new ATOM 907 N TYR A 59 11.299 4.608 3.519 1.00 0.00 N ATOM 908 CA TYR A 59 10.218 5.038 4.383 1.00 0.00 C ATOM 909 C TYR A 59 9.975 4.019 5.491 1.00 0.00 C ATOM 910 O TYR A 59 10.272 4.286 6.654 1.00 0.00 O ATOM 911 CB TYR A 59 8.959 5.256 3.542 1.00 0.00 C ATOM 912 CG TYR A 59 8.067 6.361 4.059 1.00 0.00 C ATOM 913 CD1 TYR A 59 7.612 7.358 3.186 1.00 0.00 C ATOM 914 CD2 TYR A 59 7.686 6.382 5.408 1.00 0.00 C ATOM 915 CE1 TYR A 59 6.772 8.376 3.657 1.00 0.00 C ATOM 916 CE2 TYR A 59 6.841 7.391 5.885 1.00 0.00 C ATOM 917 CZ TYR A 59 6.376 8.391 5.008 1.00 0.00 C ATOM 918 OH TYR A 59 5.539 9.367 5.462 1.00 0.00 O ATOM 0 H TYR A 59 10.993 4.283 2.602 1.00 0.00 H new ATOM 0 HA TYR A 59 10.488 5.979 4.863 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.252 5.487 2.518 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.390 4.327 3.509 1.00 0.00 H new ATOM 0 HD1 TYR A 59 7.909 7.342 2.148 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.045 5.618 6.081 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.429 9.148 2.984 1.00 0.00 H new ATOM 0 HE2 TYR A 59 6.546 7.403 6.924 1.00 0.00 H new ATOM 0 HH TYR A 59 4.863 8.971 6.051 1.00 0.00 H new ATOM 928 N ASN A 60 9.386 2.872 5.139 1.00 0.00 N ATOM 929 CA ASN A 60 9.057 1.840 6.109 1.00 0.00 C ATOM 930 C ASN A 60 9.009 0.474 5.433 1.00 0.00 C ATOM 931 O ASN A 60 9.102 -0.549 6.107 1.00 0.00 O ATOM 932 CB ASN A 60 7.705 2.150 6.753 1.00 0.00 C ATOM 933 CG ASN A 60 7.857 3.114 7.923 1.00 0.00 C ATOM 934 OD1 ASN A 60 7.124 4.228 7.884 1.00 0.00 O flip ATOM 935 ND2 ASN A 60 8.594 2.836 8.866 1.00 0.00 N flip ATOM 0 H ASN A 60 9.128 2.640 4.180 1.00 0.00 H new ATOM 0 HA ASN A 60 9.828 1.821 6.880 1.00 0.00 H new ATOM 0 HB2 ASN A 60 7.036 2.581 6.009 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.244 1.225 7.099 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.136 1.972 8.852 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.664 3.469 9.663 1.00 0.00 H new ATOM 942 N ILE A 61 8.782 0.449 4.115 1.00 0.00 N ATOM 943 CA ILE A 61 8.665 -0.800 3.384 1.00 0.00 C ATOM 944 C ILE A 61 9.895 -1.662 3.638 1.00 0.00 C ATOM 945 O ILE A 61 11.019 -1.162 3.656 1.00 0.00 O ATOM 946 CB ILE A 61 8.492 -0.517 1.888 1.00 0.00 C ATOM 947 CG1 ILE A 61 7.027 -0.198 1.590 1.00 0.00 C ATOM 948 CG2 ILE A 61 8.879 -1.756 1.080 1.00 0.00 C ATOM 949 CD1 ILE A 61 6.672 1.202 2.084 1.00 0.00 C ATOM 0 H ILE A 61 8.677 1.285 3.540 1.00 0.00 H new ATOM 0 HA ILE A 61 7.786 -1.343 3.731 1.00 0.00 H new ATOM 0 HB ILE A 61 9.127 0.326 1.617 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.844 -0.269 0.518 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.383 -0.934 2.072 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.755 -1.551 0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.920 -2.011 1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.239 -2.591 1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.625 1.411 1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.834 1.260 3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 61 7.303 1.936 1.582 1.00 0.00 H new ATOM 961 N GLN A 62 9.674 -2.965 3.827 1.00 0.00 N ATOM 962 CA GLN A 62 10.747 -3.915 4.039 1.00 0.00 C ATOM 963 C GLN A 62 10.512 -5.128 3.148 1.00 0.00 C ATOM 964 O GLN A 62 9.438 -5.276 2.568 1.00 0.00 O ATOM 965 CB GLN A 62 10.783 -4.319 5.511 1.00 0.00 C ATOM 966 CG GLN A 62 11.407 -3.208 6.354 1.00 0.00 C ATOM 967 CD GLN A 62 11.373 -3.565 7.833 1.00 0.00 C ATOM 968 OE1 GLN A 62 10.700 -4.513 8.234 1.00 0.00 O ATOM 969 NE2 GLN A 62 12.102 -2.802 8.648 1.00 0.00 N ATOM 0 H GLN A 62 8.743 -3.382 3.836 1.00 0.00 H new ATOM 0 HA GLN A 62 11.708 -3.468 3.782 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.772 -4.527 5.862 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.356 -5.239 5.628 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.437 -3.042 6.039 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.869 -2.275 6.189 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.645 -2.026 8.270 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.117 -2.995 9.650 1.00 0.00 H new ATOM 978 N LYS A 63 11.522 -5.994 3.037 1.00 0.00 N ATOM 979 CA LYS A 63 11.442 -7.173 2.195 1.00 0.00 C ATOM 980 C LYS A 63 10.372 -8.127 2.718 1.00 0.00 C ATOM 981 O LYS A 63 10.442 -8.583 3.857 1.00 0.00 O ATOM 982 CB LYS A 63 12.814 -7.850 2.124 1.00 0.00 C ATOM 983 CG LYS A 63 13.317 -8.227 3.517 1.00 0.00 C ATOM 984 CD LYS A 63 14.734 -8.782 3.413 1.00 0.00 C ATOM 985 CE LYS A 63 15.218 -9.170 4.806 1.00 0.00 C ATOM 986 NZ LYS A 63 16.596 -9.682 4.766 1.00 0.00 N ATOM 0 H LYS A 63 12.410 -5.892 3.528 1.00 0.00 H new ATOM 0 HA LYS A 63 11.154 -6.880 1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.750 -8.744 1.503 1.00 0.00 H new ATOM 0 HB3 LYS A 63 13.529 -7.180 1.645 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.304 -7.353 4.169 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.656 -8.969 3.965 1.00 0.00 H new ATOM 0 HD2 LYS A 63 14.751 -9.649 2.753 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.399 -8.037 2.977 1.00 0.00 H new ATOM 0 HE2 LYS A 63 15.168 -8.304 5.466 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.557 -9.929 5.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.899 -9.938 5.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 16.636 -10.522 4.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.228 -8.948 4.388 1.00 0.00 H new ATOM 1000 N GLU A 64 9.378 -8.419 1.874 1.00 0.00 N ATOM 1001 CA GLU A 64 8.307 -9.347 2.193 1.00 0.00 C ATOM 1002 C GLU A 64 7.752 -9.093 3.593 1.00 0.00 C ATOM 1003 O GLU A 64 7.461 -10.038 4.324 1.00 0.00 O ATOM 1004 CB GLU A 64 8.821 -10.781 2.047 1.00 0.00 C ATOM 1005 CG GLU A 64 9.162 -11.068 0.584 1.00 0.00 C ATOM 1006 CD GLU A 64 10.514 -10.478 0.201 1.00 0.00 C ATOM 1007 OE1 GLU A 64 10.518 -9.583 -0.673 1.00 0.00 O ATOM 1008 OE2 GLU A 64 11.525 -10.965 0.752 1.00 0.00 O ATOM 0 H GLU A 64 9.300 -8.010 0.943 1.00 0.00 H new ATOM 0 HA GLU A 64 7.484 -9.194 1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.704 -10.925 2.670 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.066 -11.484 2.398 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.173 -12.145 0.416 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.387 -10.653 -0.060 1.00 0.00 H new ATOM 1015 N SER A 65 7.564 -7.819 3.951 1.00 0.00 N ATOM 1016 CA SER A 65 6.991 -7.466 5.238 1.00 0.00 C ATOM 1017 C SER A 65 5.531 -7.059 5.059 1.00 0.00 C ATOM 1018 O SER A 65 5.062 -6.900 3.933 1.00 0.00 O ATOM 1019 CB SER A 65 7.799 -6.335 5.868 1.00 0.00 C ATOM 1020 OG SER A 65 9.086 -6.810 6.195 1.00 0.00 O ATOM 0 H SER A 65 7.803 -7.021 3.363 1.00 0.00 H new ATOM 0 HA SER A 65 7.028 -8.328 5.904 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.873 -5.496 5.176 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.296 -5.967 6.762 1.00 0.00 H new ATOM 0 HG SER A 65 9.503 -7.200 5.398 1.00 0.00 H new ATOM 1026 N THR A 66 4.815 -6.883 6.172 1.00 0.00 N ATOM 1027 CA THR A 66 3.393 -6.593 6.138 1.00 0.00 C ATOM 1028 C THR A 66 3.136 -5.099 6.308 1.00 0.00 C ATOM 1029 O THR A 66 3.737 -4.454 7.165 1.00 0.00 O ATOM 1030 CB THR A 66 2.695 -7.387 7.241 1.00 0.00 C ATOM 1031 OG1 THR A 66 3.028 -8.752 7.117 1.00 0.00 O ATOM 1032 CG2 THR A 66 1.182 -7.221 7.122 1.00 0.00 C ATOM 0 H THR A 66 5.208 -6.938 7.112 1.00 0.00 H new ATOM 0 HA THR A 66 2.992 -6.887 5.168 1.00 0.00 H new ATOM 0 HB THR A 66 3.021 -7.016 8.213 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.583 -9.263 7.825 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.690 -7.790 7.911 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.923 -6.167 7.219 1.00 0.00 H new ATOM 0 HG23 THR A 66 0.851 -7.588 6.150 1.00 0.00 H new ATOM 1040 N LEU A 67 2.220 -4.561 5.498 1.00 0.00 N ATOM 1041 CA LEU A 67 1.807 -3.169 5.570 1.00 0.00 C ATOM 1042 C LEU A 67 0.341 -3.112 5.985 1.00 0.00 C ATOM 1043 O LEU A 67 -0.318 -4.147 6.076 1.00 0.00 O ATOM 1044 CB LEU A 67 2.014 -2.507 4.207 1.00 0.00 C ATOM 1045 CG LEU A 67 3.393 -1.849 4.128 1.00 0.00 C ATOM 1046 CD1 LEU A 67 4.501 -2.901 4.061 1.00 0.00 C ATOM 1047 CD2 LEU A 67 3.460 -0.990 2.867 1.00 0.00 C ATOM 0 H LEU A 67 1.743 -5.091 4.768 1.00 0.00 H new ATOM 0 HA LEU A 67 2.404 -2.632 6.307 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.915 -3.252 3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.239 -1.759 4.039 1.00 0.00 H new ATOM 0 HG LEU A 67 3.538 -1.242 5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.470 -2.406 4.006 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.464 -3.526 4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.360 -3.522 3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.439 -0.516 2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.301 -1.618 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.688 -0.222 2.908 1.00 0.00 H new ATOM 1059 N HIS A 68 -0.185 -1.903 6.200 1.00 0.00 N ATOM 1060 CA HIS A 68 -1.555 -1.738 6.646 1.00 0.00 C ATOM 1061 C HIS A 68 -2.291 -0.801 5.694 1.00 0.00 C ATOM 1062 O HIS A 68 -1.768 0.251 5.333 1.00 0.00 O ATOM 1063 CB HIS A 68 -1.549 -1.204 8.080 1.00 0.00 C ATOM 1064 CG HIS A 68 -2.903 -1.245 8.732 1.00 0.00 C ATOM 1065 ND1 HIS A 68 -4.021 -0.586 8.309 1.00 0.00 N flip ATOM 1066 CD2 HIS A 68 -3.222 -1.933 9.876 1.00 0.00 C flip ATOM 1067 CE1 HIS A 68 -5.053 -0.875 9.209 1.00 0.00 C flip ATOM 1068 NE2 HIS A 68 -4.520 -1.692 10.139 1.00 0.00 N flip ATOM 0 H HIS A 68 0.324 -1.029 6.070 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.079 -2.694 6.640 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.848 -1.789 8.676 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.185 -0.177 8.077 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.555 -2.553 10.457 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -6.071 -0.516 9.167 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -5.031 -2.076 10.934 1.00 0.00 H new ATOM 1076 N LEU A 69 -3.485 -1.204 5.247 1.00 0.00 N ATOM 1077 CA LEU A 69 -4.256 -0.433 4.285 1.00 0.00 C ATOM 1078 C LEU A 69 -5.648 -0.147 4.841 1.00 0.00 C ATOM 1079 O LEU A 69 -6.211 -0.969 5.561 1.00 0.00 O ATOM 1080 CB LEU A 69 -4.350 -1.224 2.978 1.00 0.00 C ATOM 1081 CG LEU A 69 -5.023 -0.402 1.875 1.00 0.00 C ATOM 1082 CD1 LEU A 69 -4.031 0.601 1.294 1.00 0.00 C ATOM 1083 CD2 LEU A 69 -5.490 -1.334 0.761 1.00 0.00 C ATOM 0 H LEU A 69 -3.936 -2.069 5.544 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.764 0.521 4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.351 -1.518 2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.914 -2.141 3.146 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.874 0.130 2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.518 1.182 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.688 1.271 2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.178 0.068 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.969 -0.750 -0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.633 -1.865 0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.202 -2.054 1.164 1.00 0.00 H new ATOM 1095 N ALA A 70 -6.221 0.998 4.457 1.00 0.00 N ATOM 1096 CA ALA A 70 -7.563 1.382 4.853 1.00 0.00 C ATOM 1097 C ALA A 70 -8.375 1.698 3.604 1.00 0.00 C ATOM 1098 O ALA A 70 -7.827 2.200 2.625 1.00 0.00 O ATOM 1099 CB ALA A 70 -7.494 2.590 5.783 1.00 0.00 C ATOM 0 H ALA A 70 -5.757 1.682 3.860 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.048 0.567 5.390 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.502 2.878 6.080 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -6.913 2.334 6.669 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.017 3.422 5.264 1.00 0.00 H new ATOM 1105 N LEU A 71 -9.666 1.349 3.612 1.00 0.00 N ATOM 1106 CA LEU A 71 -10.517 1.543 2.452 1.00 0.00 C ATOM 1107 C LEU A 71 -11.696 2.439 2.813 1.00 0.00 C ATOM 1108 O LEU A 71 -11.917 2.748 3.982 1.00 0.00 O ATOM 1109 CB LEU A 71 -11.029 0.191 1.939 1.00 0.00 C ATOM 1110 CG LEU A 71 -9.939 -0.657 1.272 1.00 0.00 C ATOM 1111 CD1 LEU A 71 -9.156 0.175 0.258 1.00 0.00 C ATOM 1112 CD2 LEU A 71 -8.989 -1.270 2.300 1.00 0.00 C ATOM 0 H LEU A 71 -10.137 0.931 4.414 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.933 2.022 1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.456 -0.368 2.772 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.834 0.363 1.225 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.436 -1.475 0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -8.387 -0.444 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.835 0.545 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.687 1.018 0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.232 -1.863 1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.505 -0.475 2.867 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.552 -1.910 2.980 1.00 0.00 H new ATOM 1124 N ARG A 72 -12.463 2.837 1.796 1.00 0.00 N ATOM 1125 CA ARG A 72 -13.641 3.668 1.965 1.00 0.00 C ATOM 1126 C ARG A 72 -14.779 2.861 2.576 1.00 0.00 C ATOM 1127 O ARG A 72 -14.702 1.637 2.662 1.00 0.00 O ATOM 1128 CB ARG A 72 -14.066 4.208 0.599 1.00 0.00 C ATOM 1129 CG ARG A 72 -14.331 3.038 -0.352 1.00 0.00 C ATOM 1130 CD ARG A 72 -14.864 3.554 -1.685 1.00 0.00 C ATOM 1131 NE ARG A 72 -16.240 4.035 -1.555 1.00 0.00 N ATOM 1132 CZ ARG A 72 -17.005 4.355 -2.608 1.00 0.00 C ATOM 1133 NH1 ARG A 72 -16.504 4.281 -3.847 1.00 0.00 N ATOM 1134 NH2 ARG A 72 -18.271 4.748 -2.420 1.00 0.00 N ATOM 0 H ARG A 72 -12.276 2.585 0.825 1.00 0.00 H new ATOM 0 HA ARG A 72 -13.406 4.494 2.636 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.963 4.819 0.700 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -13.286 4.852 0.192 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -13.412 2.475 -0.513 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.051 2.352 0.095 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -14.227 4.361 -2.046 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -14.823 2.758 -2.429 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.635 4.131 -0.620 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -15.540 3.981 -3.990 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -17.087 4.525 -4.648 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -18.653 4.804 -1.476 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -18.854 4.992 -3.221 1.00 0.00 H new