USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 663 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 74 GLN : amide:sc= 0.772 K(o=1.6,f=-0.5) USER MOD Set 1.2: A 75 THR OG1 : rot -14:sc= 0.857 USER MOD Set 2.1: A 38 ASN : amide:sc= -0.33 K(o=-0.61,f=-4.2) USER MOD Set 2.2: A 48 LYS NZ :NH3+ -145:sc= -0.277 (180deg=-0.111) USER MOD Set 3.1: A 8 GLN : amide:sc= 0.637 K(o=1.9,f=-0.75) USER MOD Set 3.2: A 12 LYS NZ :NH3+ -166:sc= 1.27 (180deg=1.13) USER MOD Single : A 4 LYS NZ :NH3+ 135:sc= 1.12 (180deg=0.498) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot -60:sc= 0.377 USER MOD Single : A 14 MET CE :methyl 163:sc= -0.0957 (180deg=-0.557) USER MOD Single : A 21 HIS : no HE2:sc= 1.07 K(o=1.1,f=-5.8!) USER MOD Single : A 27 HIS : no HE2:sc= -2.4! C(o=-2.4!,f=-3.4!) USER MOD Single : A 28 LYS NZ :NH3+ -110:sc= 1.71 (180deg=0.553) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= -0.084 (180deg=-0.428) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.153 F(o=-2.5!,f=-0.15) USER MOD Single : A 42 SER OG : rot 16:sc= -0.0242 USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 1.27 (180deg=1.12) USER MOD Single : A 57 GLN : amide:sc= -0.524 K(o=-0.52,f=-1.3) USER MOD Single : A 59 TYR OH : rot 85:sc= 0.109 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN :FLIP amide:sc= 0 F(o=-0.83,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.0156 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -11.653 6.525 -2.868 1.00 0.00 N ATOM 2 CA GLY A 2 -10.627 6.174 -1.915 1.00 0.00 C ATOM 3 C GLY A 2 -9.352 6.919 -2.193 1.00 0.00 C ATOM 4 O GLY A 2 -9.265 8.130 -1.991 1.00 0.00 O ATOM 0 HA2 GLY A 2 -10.971 6.400 -0.906 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -10.441 5.101 -1.955 1.00 0.00 H new ATOM 10 N ILE A 3 -8.382 6.217 -2.727 1.00 0.00 N ATOM 11 CA ILE A 3 -7.045 6.764 -2.976 1.00 0.00 C ATOM 12 C ILE A 3 -6.978 7.789 -4.099 1.00 0.00 C ATOM 13 O ILE A 3 -5.936 8.412 -4.296 1.00 0.00 O ATOM 14 CB ILE A 3 -5.909 5.697 -3.122 1.00 0.00 C ATOM 15 CG1 ILE A 3 -6.121 4.717 -4.307 1.00 0.00 C ATOM 16 CG2 ILE A 3 -5.710 4.944 -1.826 1.00 0.00 C ATOM 17 CD1 ILE A 3 -7.344 3.834 -4.219 1.00 0.00 C ATOM 0 H ILE A 3 -8.486 5.242 -3.007 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.845 7.299 -2.048 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.001 6.253 -3.354 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.181 5.297 -5.228 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.241 4.079 -4.389 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.916 4.208 -1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.435 5.644 -1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.636 4.436 -1.554 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.393 3.191 -5.098 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -7.284 3.218 -3.322 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.239 4.455 -4.174 1.00 0.00 H new ATOM 29 N LYS A 4 -8.097 7.987 -4.799 1.00 0.00 N ATOM 30 CA LYS A 4 -8.213 9.024 -5.836 1.00 0.00 C ATOM 31 C LYS A 4 -7.759 10.410 -5.319 1.00 0.00 C ATOM 32 O LYS A 4 -7.186 11.200 -6.062 1.00 0.00 O ATOM 33 CB LYS A 4 -9.678 9.140 -6.334 1.00 0.00 C ATOM 34 CG LYS A 4 -10.719 9.248 -5.203 1.00 0.00 C ATOM 35 CD LYS A 4 -12.027 9.921 -5.642 1.00 0.00 C ATOM 36 CE LYS A 4 -12.718 9.245 -6.826 1.00 0.00 C ATOM 37 NZ LYS A 4 -13.163 7.859 -6.551 1.00 0.00 N ATOM 0 H LYS A 4 -8.946 7.438 -4.667 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.561 8.721 -6.655 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.764 10.016 -6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.912 8.270 -6.947 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.941 8.249 -4.827 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.289 9.812 -4.375 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.715 9.937 -4.796 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.818 10.958 -5.903 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.582 9.842 -7.119 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.035 9.235 -7.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.130 7.727 -6.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.523 7.189 -7.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.149 7.687 -5.525 1.00 0.00 H new ATOM 51 N GLN A 5 -7.975 10.658 -4.035 1.00 0.00 N ATOM 52 CA GLN A 5 -7.737 11.971 -3.447 1.00 0.00 C ATOM 53 C GLN A 5 -6.437 12.070 -2.636 1.00 0.00 C ATOM 54 O GLN A 5 -6.155 13.124 -2.062 1.00 0.00 O ATOM 55 CB GLN A 5 -8.901 12.330 -2.536 1.00 0.00 C ATOM 56 CG GLN A 5 -9.128 11.316 -1.426 1.00 0.00 C ATOM 57 CD GLN A 5 -10.156 11.762 -0.434 1.00 0.00 C ATOM 58 OE1 GLN A 5 -9.836 12.401 0.546 1.00 0.00 O ATOM 59 NE2 GLN A 5 -11.380 11.425 -0.660 1.00 0.00 N ATOM 0 H GLN A 5 -8.318 9.961 -3.374 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.643 12.664 -4.283 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -8.719 13.309 -2.093 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.809 12.414 -3.133 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.440 10.368 -1.864 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -8.186 11.133 -0.909 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.615 10.887 -1.494 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -12.113 11.696 -0.005 1.00 0.00 H new ATOM 68 N TYR A 6 -5.662 11.012 -2.545 1.00 0.00 N ATOM 69 CA TYR A 6 -4.468 11.102 -1.705 1.00 0.00 C ATOM 70 C TYR A 6 -3.199 11.376 -2.511 1.00 0.00 C ATOM 71 O TYR A 6 -3.049 10.914 -3.651 1.00 0.00 O ATOM 72 CB TYR A 6 -4.295 9.884 -0.792 1.00 0.00 C ATOM 73 CG TYR A 6 -5.519 9.560 0.043 1.00 0.00 C ATOM 74 CD1 TYR A 6 -6.083 10.498 0.891 1.00 0.00 C ATOM 75 CD2 TYR A 6 -6.133 8.331 -0.067 1.00 0.00 C ATOM 76 CE1 TYR A 6 -7.223 10.208 1.613 1.00 0.00 C ATOM 77 CE2 TYR A 6 -7.282 8.028 0.639 1.00 0.00 C ATOM 78 CZ TYR A 6 -7.824 8.979 1.484 1.00 0.00 C ATOM 79 OH TYR A 6 -8.980 8.709 2.192 1.00 0.00 O ATOM 0 H TYR A 6 -5.816 10.118 -3.012 1.00 0.00 H new ATOM 0 HA TYR A 6 -4.630 11.966 -1.060 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -4.045 9.017 -1.404 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.450 10.059 -0.126 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.624 11.471 0.989 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.705 7.586 -0.721 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -7.643 10.947 2.279 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.751 7.061 0.532 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.281 7.798 1.991 1.00 0.00 H new ATOM 89 N SER A 7 -2.323 12.145 -1.912 1.00 0.00 N ATOM 90 CA SER A 7 -1.054 12.551 -2.480 1.00 0.00 C ATOM 91 C SER A 7 0.104 11.672 -1.966 1.00 0.00 C ATOM 92 O SER A 7 -0.114 10.750 -1.173 1.00 0.00 O ATOM 93 CB SER A 7 -0.835 14.036 -2.178 1.00 0.00 C ATOM 94 OG SER A 7 -1.049 14.309 -0.798 1.00 0.00 O ATOM 0 H SER A 7 -2.478 12.522 -0.977 1.00 0.00 H new ATOM 0 HA SER A 7 -1.075 12.411 -3.561 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.179 14.323 -2.457 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.514 14.638 -2.782 1.00 0.00 H new ATOM 0 HG SER A 7 -1.970 14.076 -0.557 1.00 0.00 H new ATOM 100 N GLN A 8 1.328 11.979 -2.395 1.00 0.00 N ATOM 101 CA GLN A 8 2.472 11.127 -2.121 1.00 0.00 C ATOM 102 C GLN A 8 2.826 11.043 -0.620 1.00 0.00 C ATOM 103 O GLN A 8 2.887 9.956 -0.065 1.00 0.00 O ATOM 104 CB GLN A 8 3.682 11.631 -2.873 1.00 0.00 C ATOM 105 CG GLN A 8 4.820 10.654 -2.845 1.00 0.00 C ATOM 106 CD GLN A 8 6.166 11.322 -3.053 1.00 0.00 C ATOM 107 OE1 GLN A 8 6.799 11.747 -2.108 1.00 0.00 O ATOM 108 NE2 GLN A 8 6.623 11.396 -4.255 1.00 0.00 N ATOM 0 H GLN A 8 1.547 12.816 -2.935 1.00 0.00 H new ATOM 0 HA GLN A 8 2.192 10.127 -2.451 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.405 11.833 -3.908 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.008 12.577 -2.440 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.822 10.131 -1.889 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.668 9.902 -3.619 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.073 11.032 -5.033 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.535 11.819 -4.429 1.00 0.00 H new ATOM 117 N GLU A 9 3.011 12.194 0.028 1.00 0.00 N ATOM 118 CA GLU A 9 3.382 12.249 1.459 1.00 0.00 C ATOM 119 C GLU A 9 2.268 11.681 2.291 1.00 0.00 C ATOM 120 O GLU A 9 2.492 10.996 3.292 1.00 0.00 O ATOM 121 CB GLU A 9 3.610 13.687 1.880 1.00 0.00 C ATOM 122 CG GLU A 9 4.694 14.417 1.125 1.00 0.00 C ATOM 123 CD GLU A 9 6.084 13.924 1.429 1.00 0.00 C ATOM 124 OE1 GLU A 9 6.685 14.389 2.424 1.00 0.00 O ATOM 125 OE2 GLU A 9 6.628 13.111 0.656 1.00 0.00 O ATOM 0 H GLU A 9 2.911 13.110 -0.410 1.00 0.00 H new ATOM 0 HA GLU A 9 4.294 11.671 1.606 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.675 14.235 1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.856 13.703 2.942 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.509 14.317 0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 9 4.636 15.480 1.361 1.00 0.00 H new ATOM 132 N GLU A 10 1.085 11.968 1.830 1.00 0.00 N ATOM 133 CA GLU A 10 -0.155 11.561 2.420 1.00 0.00 C ATOM 134 C GLU A 10 -0.229 10.026 2.470 1.00 0.00 C ATOM 135 O GLU A 10 -0.400 9.440 3.529 1.00 0.00 O ATOM 136 CB GLU A 10 -1.252 12.183 1.558 1.00 0.00 C ATOM 137 CG GLU A 10 -2.667 12.109 2.065 1.00 0.00 C ATOM 138 CD GLU A 10 -3.526 13.182 1.413 1.00 0.00 C ATOM 139 OE1 GLU A 10 -3.438 13.367 0.187 1.00 0.00 O ATOM 140 OE2 GLU A 10 -4.292 13.883 2.116 1.00 0.00 O ATOM 0 H GLU A 10 0.954 12.524 0.985 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.264 11.896 3.451 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.004 13.234 1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.221 11.704 0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.084 11.124 1.854 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.678 12.235 3.148 1.00 0.00 H new ATOM 147 N LEU A 11 -0.025 9.395 1.335 1.00 0.00 N ATOM 148 CA LEU A 11 -0.030 7.940 1.243 1.00 0.00 C ATOM 149 C LEU A 11 1.197 7.308 1.907 1.00 0.00 C ATOM 150 O LEU A 11 1.140 6.173 2.362 1.00 0.00 O ATOM 151 CB LEU A 11 -0.114 7.517 -0.211 1.00 0.00 C ATOM 152 CG LEU A 11 -1.431 7.799 -0.910 1.00 0.00 C ATOM 153 CD1 LEU A 11 -1.280 7.591 -2.395 1.00 0.00 C ATOM 154 CD2 LEU A 11 -2.521 6.892 -0.359 1.00 0.00 C ATOM 0 H LEU A 11 0.149 9.868 0.448 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.906 7.582 1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.682 8.019 -0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.084 6.447 -0.270 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.714 8.835 -0.727 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.230 7.795 -2.889 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.517 8.267 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.984 6.560 -2.590 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.462 7.103 -0.868 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.245 5.850 -0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.638 7.072 0.710 1.00 0.00 H new ATOM 166 N LYS A 12 2.299 8.041 1.953 1.00 0.00 N ATOM 167 CA LYS A 12 3.533 7.539 2.562 1.00 0.00 C ATOM 168 C LYS A 12 3.354 7.166 4.014 1.00 0.00 C ATOM 169 O LYS A 12 3.773 6.091 4.430 1.00 0.00 O ATOM 170 CB LYS A 12 4.628 8.578 2.494 1.00 0.00 C ATOM 171 CG LYS A 12 5.442 8.621 1.237 1.00 0.00 C ATOM 172 CD LYS A 12 6.482 9.689 1.404 1.00 0.00 C ATOM 173 CE LYS A 12 7.411 9.800 0.244 1.00 0.00 C ATOM 174 NZ LYS A 12 8.292 10.958 0.425 1.00 0.00 N ATOM 0 H LYS A 12 2.370 8.987 1.577 1.00 0.00 H new ATOM 0 HA LYS A 12 3.802 6.649 1.993 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.175 9.559 2.639 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.305 8.413 3.332 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.912 7.655 1.052 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.807 8.836 0.377 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.986 10.648 1.555 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.061 9.484 2.305 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.004 8.890 0.153 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.843 9.904 -0.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 8.768 11.176 -0.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.729 11.779 0.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.004 10.742 1.151 1.00 0.00 H new ATOM 188 N GLU A 13 2.680 8.007 4.763 1.00 0.00 N ATOM 189 CA GLU A 13 2.543 7.768 6.184 1.00 0.00 C ATOM 190 C GLU A 13 1.390 6.839 6.516 1.00 0.00 C ATOM 191 O GLU A 13 1.229 6.416 7.662 1.00 0.00 O ATOM 192 CB GLU A 13 2.509 9.062 6.986 1.00 0.00 C ATOM 193 CG GLU A 13 1.506 10.081 6.514 1.00 0.00 C ATOM 194 CD GLU A 13 1.516 11.300 7.386 1.00 0.00 C ATOM 195 OE1 GLU A 13 2.464 12.103 7.305 1.00 0.00 O ATOM 196 OE2 GLU A 13 0.577 11.489 8.158 1.00 0.00 O ATOM 0 H GLU A 13 2.223 8.852 4.420 1.00 0.00 H new ATOM 0 HA GLU A 13 3.445 7.240 6.494 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.295 8.820 8.027 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.501 9.513 6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.730 10.365 5.486 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.509 9.640 6.513 1.00 0.00 H new ATOM 203 N MET A 14 0.621 6.497 5.523 1.00 0.00 N ATOM 204 CA MET A 14 -0.434 5.540 5.700 1.00 0.00 C ATOM 205 C MET A 14 0.132 4.169 5.400 1.00 0.00 C ATOM 206 O MET A 14 1.016 4.035 4.537 1.00 0.00 O ATOM 207 CB MET A 14 -1.630 5.831 4.775 1.00 0.00 C ATOM 208 CG MET A 14 -2.327 7.164 5.033 1.00 0.00 C ATOM 209 SD MET A 14 -3.756 7.445 3.947 1.00 0.00 S ATOM 210 CE MET A 14 -4.842 6.099 4.432 1.00 0.00 C ATOM 0 H MET A 14 0.705 6.869 4.577 1.00 0.00 H new ATOM 0 HA MET A 14 -0.803 5.596 6.724 1.00 0.00 H new ATOM 0 HB2 MET A 14 -1.285 5.811 3.741 1.00 0.00 H new ATOM 0 HB3 MET A 14 -2.359 5.028 4.883 1.00 0.00 H new ATOM 0 HG2 MET A 14 -2.655 7.200 6.072 1.00 0.00 H new ATOM 0 HG3 MET A 14 -1.610 7.974 4.897 1.00 0.00 H new ATOM 0 HE1 MET A 14 -5.855 6.306 4.087 1.00 0.00 H new ATOM 0 HE2 MET A 14 -4.490 5.169 3.986 1.00 0.00 H new ATOM 0 HE3 MET A 14 -4.841 6.004 5.518 1.00 0.00 H new ATOM 220 N ALA A 15 -0.311 3.171 6.129 1.00 0.00 N ATOM 221 CA ALA A 15 0.117 1.807 5.893 1.00 0.00 C ATOM 222 C ALA A 15 -0.365 1.379 4.518 1.00 0.00 C ATOM 223 O ALA A 15 -1.516 1.646 4.146 1.00 0.00 O ATOM 224 CB ALA A 15 -0.415 0.884 6.979 1.00 0.00 C ATOM 0 H ALA A 15 -0.973 3.278 6.897 1.00 0.00 H new ATOM 0 HA ALA A 15 1.205 1.747 5.925 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.083 -0.136 6.784 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.039 1.209 7.949 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.505 0.917 6.983 1.00 0.00 H new ATOM 230 N LEU A 16 0.488 0.736 3.751 1.00 0.00 N ATOM 231 CA LEU A 16 0.130 0.419 2.385 1.00 0.00 C ATOM 232 C LEU A 16 -0.939 -0.652 2.260 1.00 0.00 C ATOM 233 O LEU A 16 -1.549 -0.777 1.209 1.00 0.00 O ATOM 234 CB LEU A 16 1.324 0.212 1.413 1.00 0.00 C ATOM 235 CG LEU A 16 2.231 -1.019 1.563 1.00 0.00 C ATOM 236 CD1 LEU A 16 3.205 -1.053 0.397 1.00 0.00 C ATOM 237 CD2 LEU A 16 3.002 -1.007 2.875 1.00 0.00 C ATOM 0 H LEU A 16 1.416 0.427 4.041 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.334 1.341 2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.919 0.195 0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.960 1.094 1.488 1.00 0.00 H new ATOM 0 HG LEU A 16 1.601 -1.908 1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.855 -1.923 0.491 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.650 -1.115 -0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.809 -0.146 0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.629 -1.896 2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.629 -0.117 2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.300 -1.000 3.709 1.00 0.00 H new ATOM 249 N VAL A 17 -1.197 -1.402 3.327 1.00 0.00 N ATOM 250 CA VAL A 17 -2.300 -2.359 3.303 1.00 0.00 C ATOM 251 C VAL A 17 -3.627 -1.590 3.347 1.00 0.00 C ATOM 252 O VAL A 17 -4.603 -1.978 2.721 1.00 0.00 O ATOM 253 CB VAL A 17 -2.229 -3.416 4.456 1.00 0.00 C ATOM 254 CG1 VAL A 17 -2.486 -2.804 5.828 1.00 0.00 C ATOM 255 CG2 VAL A 17 -3.180 -4.573 4.191 1.00 0.00 C ATOM 0 H VAL A 17 -0.672 -1.369 4.201 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.224 -2.929 2.377 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.209 -3.800 4.469 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.425 -3.581 6.590 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.738 -2.037 6.030 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.479 -2.355 5.846 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.112 -5.294 5.006 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.201 -4.197 4.123 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.910 -5.059 3.254 1.00 0.00 H new ATOM 265 N GLU A 18 -3.604 -0.443 4.015 1.00 0.00 N ATOM 266 CA GLU A 18 -4.758 0.424 4.125 1.00 0.00 C ATOM 267 C GLU A 18 -4.979 1.084 2.781 1.00 0.00 C ATOM 268 O GLU A 18 -6.101 1.211 2.318 1.00 0.00 O ATOM 269 CB GLU A 18 -4.508 1.476 5.204 1.00 0.00 C ATOM 270 CG GLU A 18 -4.156 0.880 6.559 1.00 0.00 C ATOM 271 CD GLU A 18 -5.311 0.178 7.239 1.00 0.00 C ATOM 272 OE1 GLU A 18 -5.861 -0.773 6.685 1.00 0.00 O ATOM 273 OE2 GLU A 18 -5.684 0.606 8.355 1.00 0.00 O ATOM 0 H GLU A 18 -2.776 -0.091 4.497 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.643 -0.147 4.405 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.698 2.131 4.882 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.398 2.097 5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.337 0.172 6.432 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.792 1.674 7.211 1.00 0.00 H new ATOM 280 N ILE A 19 -3.875 1.462 2.140 1.00 0.00 N ATOM 281 CA ILE A 19 -3.921 2.029 0.798 1.00 0.00 C ATOM 282 C ILE A 19 -4.501 0.986 -0.151 1.00 0.00 C ATOM 283 O ILE A 19 -5.424 1.267 -0.910 1.00 0.00 O ATOM 284 CB ILE A 19 -2.506 2.435 0.290 1.00 0.00 C ATOM 285 CG1 ILE A 19 -1.851 3.429 1.259 1.00 0.00 C ATOM 286 CG2 ILE A 19 -2.587 3.038 -1.123 1.00 0.00 C ATOM 287 CD1 ILE A 19 -0.434 3.811 0.881 1.00 0.00 C ATOM 0 H ILE A 19 -2.936 1.385 2.531 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.539 2.926 0.829 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.890 1.537 0.245 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.460 4.332 1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.846 2.996 2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.587 3.315 -1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.009 2.303 -1.808 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.222 3.924 -1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.040 4.516 1.613 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.191 2.918 0.863 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.433 4.274 -0.106 1.00 0.00 H new ATOM 299 N ALA A 20 -3.974 -0.228 -0.058 1.00 0.00 N ATOM 300 CA ALA A 20 -4.414 -1.346 -0.868 1.00 0.00 C ATOM 301 C ALA A 20 -5.891 -1.663 -0.621 1.00 0.00 C ATOM 302 O ALA A 20 -6.619 -1.996 -1.552 1.00 0.00 O ATOM 303 CB ALA A 20 -3.528 -2.553 -0.624 1.00 0.00 C ATOM 0 H ALA A 20 -3.222 -0.462 0.590 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.322 -1.070 -1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.870 -3.386 -1.239 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.499 -2.308 -0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.578 -2.834 0.428 1.00 0.00 H new ATOM 309 N HIS A 21 -6.326 -1.534 0.636 1.00 0.00 N ATOM 310 CA HIS A 21 -7.737 -1.692 1.010 1.00 0.00 C ATOM 311 C HIS A 21 -8.572 -0.731 0.194 1.00 0.00 C ATOM 312 O HIS A 21 -9.586 -1.115 -0.406 1.00 0.00 O ATOM 313 CB HIS A 21 -7.943 -1.396 2.518 1.00 0.00 C ATOM 314 CG HIS A 21 -9.378 -1.489 2.994 1.00 0.00 C ATOM 315 ND1 HIS A 21 -10.261 -0.422 2.985 1.00 0.00 N ATOM 316 CD2 HIS A 21 -10.077 -2.531 3.494 1.00 0.00 C ATOM 317 CE1 HIS A 21 -11.423 -0.811 3.452 1.00 0.00 C ATOM 318 NE2 HIS A 21 -11.339 -2.085 3.767 1.00 0.00 N ATOM 0 H HIS A 21 -5.713 -1.318 1.422 1.00 0.00 H new ATOM 0 HA HIS A 21 -8.041 -2.720 0.814 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -7.337 -2.093 3.097 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -7.568 -0.395 2.732 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -10.041 0.521 2.665 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -9.706 -3.533 3.649 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -12.300 -0.190 3.560 1.00 0.00 H new ATOM 327 N GLU A 22 -8.110 0.502 0.141 1.00 0.00 N ATOM 328 CA GLU A 22 -8.789 1.541 -0.577 1.00 0.00 C ATOM 329 C GLU A 22 -8.799 1.263 -2.072 1.00 0.00 C ATOM 330 O GLU A 22 -9.750 1.607 -2.729 1.00 0.00 O ATOM 331 CB GLU A 22 -8.196 2.911 -0.273 1.00 0.00 C ATOM 332 CG GLU A 22 -8.190 3.274 1.206 1.00 0.00 C ATOM 333 CD GLU A 22 -9.555 3.182 1.853 1.00 0.00 C ATOM 334 OE1 GLU A 22 -9.985 2.055 2.192 1.00 0.00 O ATOM 335 OE2 GLU A 22 -10.197 4.232 2.059 1.00 0.00 O ATOM 0 H GLU A 22 -7.250 0.804 0.599 1.00 0.00 H new ATOM 0 HA GLU A 22 -9.824 1.551 -0.235 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.173 2.943 -0.648 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.759 3.668 -0.819 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.501 2.613 1.732 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.809 4.289 1.322 1.00 0.00 H new ATOM 342 N LEU A 23 -7.735 0.623 -2.610 1.00 0.00 N ATOM 343 CA LEU A 23 -7.728 0.208 -4.038 1.00 0.00 C ATOM 344 C LEU A 23 -8.913 -0.676 -4.330 1.00 0.00 C ATOM 345 O LEU A 23 -9.618 -0.485 -5.301 1.00 0.00 O ATOM 346 CB LEU A 23 -6.444 -0.558 -4.463 1.00 0.00 C ATOM 347 CG LEU A 23 -5.224 0.241 -4.970 1.00 0.00 C ATOM 348 CD1 LEU A 23 -5.578 1.082 -6.181 1.00 0.00 C ATOM 349 CD2 LEU A 23 -4.606 1.077 -3.883 1.00 0.00 C ATOM 0 H LEU A 23 -6.888 0.386 -2.094 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.769 1.135 -4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.117 -1.150 -3.608 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.725 -1.260 -5.248 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.473 -0.486 -5.279 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.697 1.632 -6.512 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.925 0.434 -6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -6.367 1.786 -5.917 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.751 1.622 -4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.343 1.786 -3.505 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.275 0.430 -3.070 1.00 0.00 H new ATOM 361 N PHE A 24 -9.148 -1.617 -3.463 1.00 0.00 N ATOM 362 CA PHE A 24 -10.224 -2.553 -3.645 1.00 0.00 C ATOM 363 C PHE A 24 -11.583 -1.945 -3.382 1.00 0.00 C ATOM 364 O PHE A 24 -12.586 -2.400 -3.924 1.00 0.00 O ATOM 365 CB PHE A 24 -9.977 -3.819 -2.852 1.00 0.00 C ATOM 366 CG PHE A 24 -8.843 -4.587 -3.426 1.00 0.00 C ATOM 367 CD1 PHE A 24 -9.014 -5.304 -4.580 1.00 0.00 C ATOM 368 CD2 PHE A 24 -7.613 -4.577 -2.837 1.00 0.00 C ATOM 369 CE1 PHE A 24 -7.977 -5.996 -5.133 1.00 0.00 C ATOM 370 CE2 PHE A 24 -6.568 -5.272 -3.389 1.00 0.00 C ATOM 371 CZ PHE A 24 -6.749 -5.981 -4.539 1.00 0.00 C ATOM 0 H PHE A 24 -8.603 -1.759 -2.613 1.00 0.00 H new ATOM 0 HA PHE A 24 -10.240 -2.831 -4.699 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.763 -3.567 -1.813 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.876 -4.435 -2.852 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.982 -5.322 -5.058 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.461 -4.016 -1.927 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.128 -6.557 -6.043 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.599 -5.258 -2.912 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.926 -6.527 -4.977 1.00 0.00 H new ATOM 381 N GLU A 25 -11.622 -0.931 -2.569 1.00 0.00 N ATOM 382 CA GLU A 25 -12.850 -0.209 -2.325 1.00 0.00 C ATOM 383 C GLU A 25 -13.192 0.655 -3.563 1.00 0.00 C ATOM 384 O GLU A 25 -14.320 0.629 -4.082 1.00 0.00 O ATOM 385 CB GLU A 25 -12.716 0.654 -1.067 1.00 0.00 C ATOM 386 CG GLU A 25 -14.043 1.142 -0.531 1.00 0.00 C ATOM 387 CD GLU A 25 -14.945 -0.012 -0.165 1.00 0.00 C ATOM 388 OE1 GLU A 25 -15.591 -0.593 -1.071 1.00 0.00 O ATOM 389 OE2 GLU A 25 -15.025 -0.370 1.001 1.00 0.00 O ATOM 0 H GLU A 25 -10.814 -0.578 -2.057 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.663 -0.915 -2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.209 0.078 -0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.084 1.514 -1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.876 1.768 0.346 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.532 1.766 -1.279 1.00 0.00 H new ATOM 396 N GLU A 26 -12.176 1.355 -4.030 1.00 0.00 N ATOM 397 CA GLU A 26 -12.192 2.244 -5.198 1.00 0.00 C ATOM 398 C GLU A 26 -12.548 1.445 -6.472 1.00 0.00 C ATOM 399 O GLU A 26 -13.311 1.904 -7.325 1.00 0.00 O ATOM 400 CB GLU A 26 -10.751 2.811 -5.321 1.00 0.00 C ATOM 401 CG GLU A 26 -10.448 3.825 -6.421 1.00 0.00 C ATOM 402 CD GLU A 26 -11.006 5.206 -6.174 1.00 0.00 C ATOM 403 OE1 GLU A 26 -10.550 5.906 -5.209 1.00 0.00 O ATOM 404 OE2 GLU A 26 -11.875 5.640 -6.957 1.00 0.00 O ATOM 0 H GLU A 26 -11.259 1.323 -3.585 1.00 0.00 H new ATOM 0 HA GLU A 26 -12.932 3.036 -5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.497 3.274 -4.367 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.075 1.967 -5.456 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.367 3.900 -6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.847 3.449 -7.363 1.00 0.00 H new ATOM 411 N HIS A 27 -11.994 0.246 -6.570 1.00 0.00 N ATOM 412 CA HIS A 27 -12.123 -0.581 -7.762 1.00 0.00 C ATOM 413 C HIS A 27 -13.319 -1.560 -7.701 1.00 0.00 C ATOM 414 O HIS A 27 -13.915 -1.850 -8.738 1.00 0.00 O ATOM 415 CB HIS A 27 -10.800 -1.341 -7.998 1.00 0.00 C ATOM 416 CG HIS A 27 -10.688 -2.049 -9.312 1.00 0.00 C ATOM 417 ND1 HIS A 27 -10.221 -3.342 -9.439 1.00 0.00 N ATOM 418 CD2 HIS A 27 -10.918 -1.611 -10.567 1.00 0.00 C ATOM 419 CE1 HIS A 27 -10.170 -3.656 -10.721 1.00 0.00 C ATOM 420 NE2 HIS A 27 -10.591 -2.624 -11.413 1.00 0.00 N ATOM 0 H HIS A 27 -11.442 -0.182 -5.826 1.00 0.00 H new ATOM 0 HA HIS A 27 -12.328 0.083 -8.602 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.975 -0.633 -7.915 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -10.674 -2.072 -7.199 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -9.958 -3.955 -8.668 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.292 -0.637 -10.847 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.839 -4.599 -11.129 1.00 0.00 H new ATOM 429 N LYS A 28 -13.637 -2.090 -6.498 1.00 0.00 N ATOM 430 CA LYS A 28 -14.759 -3.070 -6.297 1.00 0.00 C ATOM 431 C LYS A 28 -14.515 -4.397 -7.004 1.00 0.00 C ATOM 432 O LYS A 28 -15.428 -5.194 -7.168 1.00 0.00 O ATOM 433 CB LYS A 28 -16.109 -2.493 -6.756 1.00 0.00 C ATOM 434 CG LYS A 28 -16.694 -1.447 -5.850 1.00 0.00 C ATOM 435 CD LYS A 28 -17.185 -2.061 -4.552 1.00 0.00 C ATOM 436 CE LYS A 28 -17.834 -1.017 -3.688 1.00 0.00 C ATOM 437 NZ LYS A 28 -16.868 -0.004 -3.246 1.00 0.00 N ATOM 0 H LYS A 28 -13.136 -1.861 -5.639 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.794 -3.257 -5.224 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -15.984 -2.063 -7.750 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.823 -3.311 -6.850 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.943 -0.687 -5.635 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.520 -0.946 -6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.897 -2.858 -4.766 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.350 -2.515 -4.019 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.640 -0.535 -4.242 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.286 -1.494 -2.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.697 -0.109 -2.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -15.974 -0.129 -3.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.248 0.945 -3.437 1.00 0.00 H new ATOM 451 N LYS A 29 -13.289 -4.655 -7.360 1.00 0.00 N ATOM 452 CA LYS A 29 -12.945 -5.825 -8.122 1.00 0.00 C ATOM 453 C LYS A 29 -11.589 -6.271 -7.654 1.00 0.00 C ATOM 454 O LYS A 29 -10.766 -5.411 -7.284 1.00 0.00 O ATOM 455 CB LYS A 29 -12.851 -5.499 -9.629 1.00 0.00 C ATOM 456 CG LYS A 29 -14.110 -4.944 -10.280 1.00 0.00 C ATOM 457 CD LYS A 29 -15.231 -5.969 -10.355 1.00 0.00 C ATOM 458 CE LYS A 29 -16.483 -5.362 -10.976 1.00 0.00 C ATOM 459 NZ LYS A 29 -16.208 -4.771 -12.306 1.00 0.00 N ATOM 0 H LYS A 29 -12.495 -4.058 -7.130 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.707 -6.591 -7.981 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.046 -4.779 -9.773 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.565 -6.408 -10.158 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.453 -4.076 -9.717 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.872 -4.597 -11.286 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.906 -6.826 -10.945 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.459 -6.338 -9.355 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -17.250 -6.130 -11.072 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -16.882 -4.594 -10.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.106 -4.600 -12.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.701 -3.871 -12.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.624 -5.427 -12.863 1.00 0.00 H new ATOM 473 N PRO A 30 -11.317 -7.577 -7.659 1.00 0.00 N ATOM 474 CA PRO A 30 -10.016 -8.113 -7.253 1.00 0.00 C ATOM 475 C PRO A 30 -8.920 -7.727 -8.245 1.00 0.00 C ATOM 476 O PRO A 30 -9.200 -7.442 -9.419 1.00 0.00 O ATOM 477 CB PRO A 30 -10.222 -9.626 -7.294 1.00 0.00 C ATOM 478 CG PRO A 30 -11.696 -9.830 -7.314 1.00 0.00 C ATOM 479 CD PRO A 30 -12.250 -8.656 -8.039 1.00 0.00 C ATOM 0 HA PRO A 30 -9.704 -7.733 -6.280 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.754 -10.061 -8.177 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.772 -10.106 -6.425 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.956 -10.761 -7.818 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.097 -9.892 -6.302 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.268 -8.816 -9.117 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.272 -8.435 -7.733 1.00 0.00 H new ATOM 487 N VAL A 31 -7.686 -7.699 -7.784 1.00 0.00 N ATOM 488 CA VAL A 31 -6.571 -7.314 -8.622 1.00 0.00 C ATOM 489 C VAL A 31 -5.379 -8.193 -8.254 1.00 0.00 C ATOM 490 O VAL A 31 -5.140 -8.434 -7.060 1.00 0.00 O ATOM 491 CB VAL A 31 -6.123 -5.822 -8.398 1.00 0.00 C ATOM 492 CG1 VAL A 31 -5.149 -5.387 -9.458 1.00 0.00 C ATOM 493 CG2 VAL A 31 -7.269 -4.842 -8.334 1.00 0.00 C ATOM 0 H VAL A 31 -7.430 -7.940 -6.827 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.889 -7.428 -9.658 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.642 -5.811 -7.420 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.855 -4.352 -9.280 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.266 -6.026 -9.425 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.618 -5.467 -10.438 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.879 -3.836 -8.178 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.827 -4.874 -9.270 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -7.929 -5.108 -7.508 1.00 0.00 H new ATOM 503 N PRO A 32 -4.663 -8.757 -9.243 1.00 0.00 N ATOM 504 CA PRO A 32 -3.424 -9.471 -8.978 1.00 0.00 C ATOM 505 C PRO A 32 -2.412 -8.532 -8.316 1.00 0.00 C ATOM 506 O PRO A 32 -2.412 -7.319 -8.597 1.00 0.00 O ATOM 507 CB PRO A 32 -2.929 -9.911 -10.360 1.00 0.00 C ATOM 508 CG PRO A 32 -3.743 -9.151 -11.347 1.00 0.00 C ATOM 509 CD PRO A 32 -5.023 -8.779 -10.669 1.00 0.00 C ATOM 0 HA PRO A 32 -3.561 -10.316 -8.304 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.867 -9.696 -10.481 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -3.054 -10.985 -10.496 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.211 -8.260 -11.680 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.938 -9.756 -12.233 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.388 -7.809 -11.006 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.811 -9.504 -10.873 1.00 0.00 H new ATOM 517 N PHE A 33 -1.550 -9.094 -7.477 1.00 0.00 N ATOM 518 CA PHE A 33 -0.592 -8.340 -6.659 1.00 0.00 C ATOM 519 C PHE A 33 0.205 -7.334 -7.497 1.00 0.00 C ATOM 520 O PHE A 33 0.338 -6.180 -7.114 1.00 0.00 O ATOM 521 CB PHE A 33 0.365 -9.317 -5.948 1.00 0.00 C ATOM 522 CG PHE A 33 1.269 -8.691 -4.910 1.00 0.00 C ATOM 523 CD1 PHE A 33 2.507 -8.172 -5.258 1.00 0.00 C ATOM 524 CD2 PHE A 33 0.880 -8.642 -3.582 1.00 0.00 C ATOM 525 CE1 PHE A 33 3.331 -7.613 -4.303 1.00 0.00 C ATOM 526 CE2 PHE A 33 1.703 -8.090 -2.621 1.00 0.00 C ATOM 527 CZ PHE A 33 2.930 -7.573 -2.979 1.00 0.00 C ATOM 0 H PHE A 33 -1.492 -10.103 -7.340 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.155 -7.773 -5.918 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.227 -10.096 -5.468 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.985 -9.805 -6.700 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.830 -8.206 -6.288 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.081 -9.041 -3.294 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.290 -7.206 -4.589 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.386 -8.063 -1.589 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.575 -7.139 -2.230 1.00 0.00 H new ATOM 537 N GLN A 34 0.686 -7.768 -8.652 1.00 0.00 N ATOM 538 CA GLN A 34 1.486 -6.907 -9.518 1.00 0.00 C ATOM 539 C GLN A 34 0.722 -5.703 -10.075 1.00 0.00 C ATOM 540 O GLN A 34 1.272 -4.609 -10.128 1.00 0.00 O ATOM 541 CB GLN A 34 2.183 -7.703 -10.622 1.00 0.00 C ATOM 542 CG GLN A 34 3.345 -8.554 -10.110 1.00 0.00 C ATOM 543 CD GLN A 34 4.652 -7.769 -9.859 1.00 0.00 C ATOM 544 OE1 GLN A 34 4.576 -6.474 -9.631 1.00 0.00 O flip ATOM 545 NE2 GLN A 34 5.738 -8.333 -9.927 1.00 0.00 N flip ATOM 0 H GLN A 34 0.538 -8.710 -9.014 1.00 0.00 H new ATOM 0 HA GLN A 34 2.258 -6.484 -8.875 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.454 -8.351 -11.109 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.553 -7.013 -11.380 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.043 -9.038 -9.181 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.545 -9.346 -10.832 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.781 -9.337 -10.104 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.599 -7.799 -9.806 1.00 0.00 H new ATOM 554 N GLU A 35 -0.547 -5.877 -10.420 1.00 0.00 N ATOM 555 CA GLU A 35 -1.313 -4.768 -10.965 1.00 0.00 C ATOM 556 C GLU A 35 -1.740 -3.857 -9.834 1.00 0.00 C ATOM 557 O GLU A 35 -1.694 -2.641 -9.952 1.00 0.00 O ATOM 558 CB GLU A 35 -2.526 -5.234 -11.787 1.00 0.00 C ATOM 559 CG GLU A 35 -2.185 -5.989 -13.067 1.00 0.00 C ATOM 560 CD GLU A 35 -3.409 -6.270 -13.915 1.00 0.00 C ATOM 561 OE1 GLU A 35 -4.037 -5.311 -14.408 1.00 0.00 O ATOM 562 OE2 GLU A 35 -3.789 -7.448 -14.081 1.00 0.00 O ATOM 0 H GLU A 35 -1.058 -6.756 -10.334 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.672 -4.221 -11.657 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.147 -5.874 -11.160 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.127 -4.362 -12.046 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.469 -5.408 -13.648 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.699 -6.931 -12.812 1.00 0.00 H new ATOM 569 N LEU A 36 -2.099 -4.469 -8.711 1.00 0.00 N ATOM 570 CA LEU A 36 -2.466 -3.751 -7.497 1.00 0.00 C ATOM 571 C LEU A 36 -1.316 -2.855 -7.064 1.00 0.00 C ATOM 572 O LEU A 36 -1.513 -1.687 -6.728 1.00 0.00 O ATOM 573 CB LEU A 36 -2.825 -4.761 -6.391 1.00 0.00 C ATOM 574 CG LEU A 36 -2.879 -4.239 -4.954 1.00 0.00 C ATOM 575 CD1 LEU A 36 -4.014 -3.254 -4.769 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.977 -5.390 -3.965 1.00 0.00 C ATOM 0 H LEU A 36 -2.144 -5.484 -8.617 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.336 -3.123 -7.688 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.797 -5.191 -6.630 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.099 -5.573 -6.428 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.950 -3.705 -4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.025 -2.902 -3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.874 -2.407 -5.440 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.961 -3.744 -4.996 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.014 -4.995 -2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.881 -5.965 -4.164 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.106 -6.036 -4.071 1.00 0.00 H new ATOM 588 N LEU A 37 -0.122 -3.414 -7.118 1.00 0.00 N ATOM 589 CA LEU A 37 1.101 -2.712 -6.815 1.00 0.00 C ATOM 590 C LEU A 37 1.244 -1.476 -7.683 1.00 0.00 C ATOM 591 O LEU A 37 1.539 -0.387 -7.190 1.00 0.00 O ATOM 592 CB LEU A 37 2.283 -3.623 -7.087 1.00 0.00 C ATOM 593 CG LEU A 37 3.648 -2.989 -6.928 1.00 0.00 C ATOM 594 CD1 LEU A 37 3.922 -2.654 -5.474 1.00 0.00 C ATOM 595 CD2 LEU A 37 4.712 -3.883 -7.513 1.00 0.00 C ATOM 0 H LEU A 37 0.023 -4.389 -7.380 1.00 0.00 H new ATOM 0 HA LEU A 37 1.073 -2.415 -5.767 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.220 -4.480 -6.416 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.197 -4.007 -8.104 1.00 0.00 H new ATOM 0 HG LEU A 37 3.667 -2.050 -7.481 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.909 -2.200 -5.385 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.167 -1.956 -5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.887 -3.566 -4.878 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.688 -3.414 -7.391 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.704 -4.843 -6.998 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.514 -4.039 -8.573 1.00 0.00 H new ATOM 607 N ASN A 38 1.013 -1.644 -8.968 1.00 0.00 N ATOM 608 CA ASN A 38 1.166 -0.554 -9.907 1.00 0.00 C ATOM 609 C ASN A 38 0.105 0.493 -9.704 1.00 0.00 C ATOM 610 O ASN A 38 0.332 1.673 -9.965 1.00 0.00 O ATOM 611 CB ASN A 38 1.185 -1.027 -11.363 1.00 0.00 C ATOM 612 CG ASN A 38 2.332 -1.962 -11.663 1.00 0.00 C ATOM 613 OD1 ASN A 38 3.356 -1.949 -11.001 1.00 0.00 O ATOM 614 ND2 ASN A 38 2.199 -2.727 -12.684 1.00 0.00 N ATOM 0 H ASN A 38 0.718 -2.526 -9.386 1.00 0.00 H new ATOM 0 HA ASN A 38 2.139 -0.108 -9.703 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.245 -1.530 -11.588 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.248 -0.160 -12.020 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.961 -3.346 -12.961 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.331 -2.717 -13.219 1.00 0.00 H new ATOM 621 N GLU A 39 -1.053 0.085 -9.257 1.00 0.00 N ATOM 622 CA GLU A 39 -2.101 1.028 -8.951 1.00 0.00 C ATOM 623 C GLU A 39 -1.760 1.832 -7.703 1.00 0.00 C ATOM 624 O GLU A 39 -2.040 3.029 -7.629 1.00 0.00 O ATOM 625 CB GLU A 39 -3.462 0.356 -8.860 1.00 0.00 C ATOM 626 CG GLU A 39 -3.907 -0.241 -10.180 1.00 0.00 C ATOM 627 CD GLU A 39 -3.838 0.770 -11.299 1.00 0.00 C ATOM 628 OE1 GLU A 39 -4.731 1.637 -11.393 1.00 0.00 O ATOM 629 OE2 GLU A 39 -2.865 0.740 -12.093 1.00 0.00 O ATOM 0 H GLU A 39 -1.296 -0.892 -9.096 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.170 1.733 -9.779 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.426 -0.429 -8.104 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.201 1.085 -8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.278 -1.097 -10.423 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.928 -0.612 -10.086 1.00 0.00 H new ATOM 636 N ILE A 40 -1.117 1.186 -6.746 1.00 0.00 N ATOM 637 CA ILE A 40 -0.615 1.885 -5.579 1.00 0.00 C ATOM 638 C ILE A 40 0.454 2.882 -6.039 1.00 0.00 C ATOM 639 O ILE A 40 0.360 4.059 -5.765 1.00 0.00 O ATOM 640 CB ILE A 40 -0.002 0.909 -4.522 1.00 0.00 C ATOM 641 CG1 ILE A 40 -1.067 -0.086 -4.027 1.00 0.00 C ATOM 642 CG2 ILE A 40 0.593 1.687 -3.341 1.00 0.00 C ATOM 643 CD1 ILE A 40 -0.546 -1.133 -3.056 1.00 0.00 C ATOM 0 H ILE A 40 -0.931 0.183 -6.755 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.449 2.396 -5.098 1.00 0.00 H new ATOM 0 HB ILE A 40 0.801 0.350 -5.001 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.871 0.471 -3.545 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.502 -0.592 -4.889 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.013 0.987 -2.619 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.378 2.352 -3.702 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.189 2.276 -2.862 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.362 -1.792 -2.759 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.236 -1.719 -3.538 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.138 -0.640 -2.174 1.00 0.00 H new ATOM 655 N ALA A 41 1.409 2.382 -6.814 1.00 0.00 N ATOM 656 CA ALA A 41 2.533 3.165 -7.349 1.00 0.00 C ATOM 657 C ALA A 41 2.104 4.327 -8.248 1.00 0.00 C ATOM 658 O ALA A 41 2.863 5.263 -8.449 1.00 0.00 O ATOM 659 CB ALA A 41 3.531 2.275 -8.072 1.00 0.00 C ATOM 0 H ALA A 41 1.431 1.403 -7.098 1.00 0.00 H new ATOM 0 HA ALA A 41 3.016 3.611 -6.479 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.350 2.884 -8.456 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.925 1.532 -7.379 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.035 1.770 -8.901 1.00 0.00 H new ATOM 665 N SER A 42 0.983 4.201 -8.909 1.00 0.00 N ATOM 666 CA SER A 42 0.494 5.298 -9.707 1.00 0.00 C ATOM 667 C SER A 42 -0.084 6.435 -8.856 1.00 0.00 C ATOM 668 O SER A 42 0.340 7.592 -8.996 1.00 0.00 O ATOM 669 CB SER A 42 -0.442 4.831 -10.828 1.00 0.00 C ATOM 670 OG SER A 42 -1.388 3.890 -10.352 1.00 0.00 O ATOM 0 H SER A 42 0.399 3.365 -8.913 1.00 0.00 H new ATOM 0 HA SER A 42 1.359 5.730 -10.210 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.962 5.690 -11.251 1.00 0.00 H new ATOM 0 HB3 SER A 42 0.144 4.385 -11.632 1.00 0.00 H new ATOM 0 HG SER A 42 -1.421 3.926 -9.373 1.00 0.00 H new ATOM 676 N LEU A 43 -1.029 6.096 -7.963 1.00 0.00 N ATOM 677 CA LEU A 43 -1.658 7.091 -7.079 1.00 0.00 C ATOM 678 C LEU A 43 -0.638 7.664 -6.100 1.00 0.00 C ATOM 679 O LEU A 43 -0.630 8.863 -5.812 1.00 0.00 O ATOM 680 CB LEU A 43 -2.886 6.511 -6.333 1.00 0.00 C ATOM 681 CG LEU A 43 -4.216 6.348 -7.130 1.00 0.00 C ATOM 682 CD1 LEU A 43 -4.729 7.681 -7.641 1.00 0.00 C ATOM 683 CD2 LEU A 43 -4.103 5.347 -8.272 1.00 0.00 C ATOM 0 H LEU A 43 -1.373 5.144 -7.835 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.023 7.903 -7.708 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.608 5.532 -5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.088 7.151 -5.474 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.941 5.947 -6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.657 7.527 -8.191 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.913 8.347 -6.798 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.986 8.128 -8.301 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.060 5.276 -8.790 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.335 5.678 -8.971 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.833 4.369 -7.873 1.00 0.00 H new ATOM 695 N LEU A 44 0.210 6.808 -5.604 1.00 0.00 N ATOM 696 CA LEU A 44 1.324 7.188 -4.775 1.00 0.00 C ATOM 697 C LEU A 44 2.446 7.535 -5.715 1.00 0.00 C ATOM 698 O LEU A 44 3.071 6.654 -6.241 1.00 0.00 O ATOM 699 CB LEU A 44 1.718 5.993 -3.886 1.00 0.00 C ATOM 700 CG LEU A 44 3.017 6.074 -3.094 1.00 0.00 C ATOM 701 CD1 LEU A 44 2.956 7.122 -2.004 1.00 0.00 C ATOM 702 CD2 LEU A 44 3.357 4.709 -2.531 1.00 0.00 C ATOM 0 H LEU A 44 0.146 5.803 -5.767 1.00 0.00 H new ATOM 0 HA LEU A 44 1.087 8.031 -4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.907 5.826 -3.177 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.772 5.110 -4.523 1.00 0.00 H new ATOM 0 HG LEU A 44 3.811 6.385 -3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.904 7.143 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.769 8.099 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.151 6.879 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.287 4.770 -1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.553 4.376 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.476 3.998 -3.348 1.00 0.00 H new ATOM 714 N GLY A 45 2.653 8.816 -5.960 1.00 0.00 N ATOM 715 CA GLY A 45 3.634 9.253 -6.962 1.00 0.00 C ATOM 716 C GLY A 45 5.079 8.936 -6.610 1.00 0.00 C ATOM 717 O GLY A 45 5.817 9.811 -6.225 1.00 0.00 O ATOM 0 H GLY A 45 2.163 9.575 -5.487 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.394 8.783 -7.916 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.535 10.329 -7.103 1.00 0.00 H new ATOM 721 N VAL A 46 5.467 7.693 -6.755 1.00 0.00 N ATOM 722 CA VAL A 46 6.813 7.222 -6.432 1.00 0.00 C ATOM 723 C VAL A 46 7.342 6.336 -7.550 1.00 0.00 C ATOM 724 O VAL A 46 6.659 6.128 -8.560 1.00 0.00 O ATOM 725 CB VAL A 46 6.799 6.374 -5.126 1.00 0.00 C ATOM 726 CG1 VAL A 46 6.439 7.221 -3.911 1.00 0.00 C ATOM 727 CG2 VAL A 46 5.832 5.187 -5.273 1.00 0.00 C ATOM 0 H VAL A 46 4.853 6.958 -7.107 1.00 0.00 H new ATOM 0 HA VAL A 46 7.447 8.099 -6.304 1.00 0.00 H new ATOM 0 HB VAL A 46 7.805 5.988 -4.965 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.439 6.595 -3.018 1.00 0.00 H new ATOM 0 HG12 VAL A 46 7.171 8.020 -3.794 1.00 0.00 H new ATOM 0 HG13 VAL A 46 5.449 7.654 -4.050 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.831 4.602 -4.353 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.826 5.559 -5.467 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.152 4.557 -6.103 1.00 0.00 H new ATOM 737 N LYS A 47 8.547 5.836 -7.380 1.00 0.00 N ATOM 738 CA LYS A 47 9.113 4.855 -8.276 1.00 0.00 C ATOM 739 C LYS A 47 8.695 3.480 -7.846 1.00 0.00 C ATOM 740 O LYS A 47 8.287 3.269 -6.702 1.00 0.00 O ATOM 741 CB LYS A 47 10.626 4.855 -8.241 1.00 0.00 C ATOM 742 CG LYS A 47 11.340 5.933 -8.992 1.00 0.00 C ATOM 743 CD LYS A 47 12.812 5.610 -8.938 1.00 0.00 C ATOM 744 CE LYS A 47 13.644 6.454 -9.851 1.00 0.00 C ATOM 745 NZ LYS A 47 15.024 5.958 -9.878 1.00 0.00 N ATOM 0 H LYS A 47 9.163 6.101 -6.612 1.00 0.00 H new ATOM 0 HA LYS A 47 8.759 5.110 -9.275 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.937 4.911 -7.198 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.970 3.895 -8.625 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.993 5.978 -10.024 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.143 6.908 -8.547 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.166 5.738 -7.915 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.955 4.561 -9.196 1.00 0.00 H new ATOM 0 HE2 LYS A 47 13.224 6.438 -10.857 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.629 7.491 -9.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.569 6.485 -10.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.459 6.089 -8.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.025 4.947 -10.121 1.00 0.00 H new ATOM 759 N LYS A 48 8.834 2.540 -8.737 1.00 0.00 N ATOM 760 CA LYS A 48 8.545 1.176 -8.426 1.00 0.00 C ATOM 761 C LYS A 48 9.636 0.622 -7.500 1.00 0.00 C ATOM 762 O LYS A 48 9.369 -0.188 -6.646 1.00 0.00 O ATOM 763 CB LYS A 48 8.493 0.342 -9.686 1.00 0.00 C ATOM 764 CG LYS A 48 7.755 -0.964 -9.498 1.00 0.00 C ATOM 765 CD LYS A 48 6.235 -0.754 -9.452 1.00 0.00 C ATOM 766 CE LYS A 48 5.690 -0.185 -10.777 1.00 0.00 C ATOM 767 NZ LYS A 48 5.937 -1.087 -11.918 1.00 0.00 N ATOM 0 H LYS A 48 9.149 2.700 -9.694 1.00 0.00 H new ATOM 0 HA LYS A 48 7.575 1.129 -7.932 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.009 0.916 -10.476 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.509 0.134 -10.020 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.004 -1.644 -10.313 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.085 -1.439 -8.574 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.744 -1.703 -9.236 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.987 -0.074 -8.637 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.619 -0.010 -10.681 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.155 0.781 -10.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.126 -0.523 -12.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.759 -1.690 -11.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.100 -1.684 -12.076 1.00 0.00 H new ATOM 781 N GLU A 49 10.864 1.110 -7.701 1.00 0.00 N ATOM 782 CA GLU A 49 12.065 0.676 -6.957 1.00 0.00 C ATOM 783 C GLU A 49 11.897 0.814 -5.431 1.00 0.00 C ATOM 784 O GLU A 49 12.003 -0.168 -4.667 1.00 0.00 O ATOM 785 CB GLU A 49 13.265 1.515 -7.417 1.00 0.00 C ATOM 786 CG GLU A 49 13.596 1.365 -8.891 1.00 0.00 C ATOM 787 CD GLU A 49 14.751 2.234 -9.322 1.00 0.00 C ATOM 788 OE1 GLU A 49 15.902 1.903 -9.025 1.00 0.00 O ATOM 789 OE2 GLU A 49 14.533 3.244 -10.008 1.00 0.00 O ATOM 0 H GLU A 49 11.062 1.830 -8.396 1.00 0.00 H new ATOM 0 HA GLU A 49 12.224 -0.381 -7.169 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.063 2.565 -7.206 1.00 0.00 H new ATOM 0 HB3 GLU A 49 14.138 1.234 -6.829 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.834 0.322 -9.101 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.717 1.617 -9.484 1.00 0.00 H new ATOM 796 N GLU A 50 11.603 2.019 -5.011 1.00 0.00 N ATOM 797 CA GLU A 50 11.459 2.356 -3.600 1.00 0.00 C ATOM 798 C GLU A 50 10.250 1.634 -2.995 1.00 0.00 C ATOM 799 O GLU A 50 10.287 1.107 -1.854 1.00 0.00 O ATOM 800 CB GLU A 50 11.340 3.873 -3.474 1.00 0.00 C ATOM 801 CG GLU A 50 10.152 4.468 -4.218 1.00 0.00 C ATOM 802 CD GLU A 50 10.229 5.963 -4.327 1.00 0.00 C ATOM 803 OE1 GLU A 50 10.269 6.650 -3.304 1.00 0.00 O ATOM 804 OE2 GLU A 50 10.282 6.480 -5.445 1.00 0.00 O ATOM 0 H GLU A 50 11.453 2.809 -5.639 1.00 0.00 H new ATOM 0 HA GLU A 50 12.334 2.024 -3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.262 4.134 -2.419 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.256 4.331 -3.848 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.101 4.037 -5.218 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.231 4.192 -3.704 1.00 0.00 H new ATOM 811 N LEU A 51 9.200 1.536 -3.789 1.00 0.00 N ATOM 812 CA LEU A 51 8.025 0.858 -3.364 1.00 0.00 C ATOM 813 C LEU A 51 8.300 -0.633 -3.352 1.00 0.00 C ATOM 814 O LEU A 51 7.630 -1.354 -2.691 1.00 0.00 O ATOM 815 CB LEU A 51 6.827 1.203 -4.257 1.00 0.00 C ATOM 816 CG LEU A 51 5.463 0.658 -3.802 1.00 0.00 C ATOM 817 CD1 LEU A 51 5.064 1.232 -2.449 1.00 0.00 C ATOM 818 CD2 LEU A 51 4.400 0.957 -4.833 1.00 0.00 C ATOM 0 H LEU A 51 9.153 1.924 -4.731 1.00 0.00 H new ATOM 0 HA LEU A 51 7.764 1.183 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.755 2.288 -4.330 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.028 0.828 -5.261 1.00 0.00 H new ATOM 0 HG LEU A 51 5.554 -0.423 -3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.096 0.828 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.812 0.961 -1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.998 2.318 -2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.442 0.563 -4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.321 2.035 -4.972 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.669 0.488 -5.780 1.00 0.00 H new ATOM 830 N GLY A 52 9.344 -1.047 -4.074 1.00 0.00 N ATOM 831 CA GLY A 52 9.792 -2.427 -4.127 1.00 0.00 C ATOM 832 C GLY A 52 10.314 -2.873 -2.796 1.00 0.00 C ATOM 833 O GLY A 52 10.064 -4.019 -2.339 1.00 0.00 O ATOM 0 H GLY A 52 9.906 -0.416 -4.645 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.966 -3.070 -4.432 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.572 -2.531 -4.881 1.00 0.00 H new ATOM 837 N ASP A 53 11.038 -1.986 -2.153 1.00 0.00 N ATOM 838 CA ASP A 53 11.499 -2.237 -0.786 1.00 0.00 C ATOM 839 C ASP A 53 10.294 -2.391 0.103 1.00 0.00 C ATOM 840 O ASP A 53 10.187 -3.326 0.950 1.00 0.00 O ATOM 841 CB ASP A 53 12.326 -1.076 -0.254 1.00 0.00 C ATOM 842 CG ASP A 53 13.559 -0.803 -1.044 1.00 0.00 C ATOM 843 OD1 ASP A 53 14.615 -1.394 -0.750 1.00 0.00 O ATOM 844 OD2 ASP A 53 13.513 0.033 -1.954 1.00 0.00 O ATOM 0 H ASP A 53 11.324 -1.087 -2.542 1.00 0.00 H new ATOM 0 HA ASP A 53 12.116 -3.135 -0.793 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.708 -0.178 -0.241 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.606 -1.285 0.778 1.00 0.00 H new ATOM 849 N ARG A 54 9.349 -1.503 -0.105 1.00 0.00 N ATOM 850 CA ARG A 54 8.155 -1.515 0.681 1.00 0.00 C ATOM 851 C ARG A 54 7.249 -2.725 0.309 1.00 0.00 C ATOM 852 O ARG A 54 6.376 -3.072 1.056 1.00 0.00 O ATOM 853 CB ARG A 54 7.427 -0.163 0.609 1.00 0.00 C ATOM 854 CG ARG A 54 6.502 0.090 1.793 1.00 0.00 C ATOM 855 CD ARG A 54 5.891 1.489 1.770 1.00 0.00 C ATOM 856 NE ARG A 54 5.089 1.745 2.986 1.00 0.00 N ATOM 857 CZ ARG A 54 4.204 2.745 3.163 1.00 0.00 C ATOM 858 NH1 ARG A 54 4.042 3.685 2.234 1.00 0.00 N ATOM 859 NH2 ARG A 54 3.513 2.820 4.293 1.00 0.00 N ATOM 0 H ARG A 54 9.391 -0.769 -0.812 1.00 0.00 H new ATOM 0 HA ARG A 54 8.431 -1.653 1.726 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.166 0.637 0.557 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.846 -0.120 -0.312 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.703 -0.652 1.791 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.059 -0.044 2.720 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.684 2.233 1.691 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.262 1.599 0.887 1.00 0.00 H new ATOM 0 HE ARG A 54 5.219 1.102 3.767 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.592 3.653 1.375 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.368 4.437 2.381 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.653 2.122 5.024 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.842 3.576 4.431 1.00 0.00 H new ATOM 873 N ILE A 55 7.497 -3.361 -0.857 1.00 0.00 N ATOM 874 CA ILE A 55 6.771 -4.578 -1.278 1.00 0.00 C ATOM 875 C ILE A 55 7.156 -5.704 -0.364 1.00 0.00 C ATOM 876 O ILE A 55 6.305 -6.449 0.106 1.00 0.00 O ATOM 877 CB ILE A 55 7.110 -5.042 -2.733 1.00 0.00 C ATOM 878 CG1 ILE A 55 6.742 -4.010 -3.770 1.00 0.00 C ATOM 879 CG2 ILE A 55 6.403 -6.343 -3.059 1.00 0.00 C ATOM 880 CD1 ILE A 55 7.160 -4.407 -5.177 1.00 0.00 C ATOM 0 H ILE A 55 8.200 -3.048 -1.527 1.00 0.00 H new ATOM 0 HA ILE A 55 5.710 -4.332 -1.238 1.00 0.00 H new ATOM 0 HB ILE A 55 8.190 -5.185 -2.765 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.664 -3.850 -3.749 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.211 -3.060 -3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.652 -6.648 -4.075 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.722 -7.116 -2.360 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.325 -6.202 -2.977 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.868 -3.625 -5.878 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.241 -4.540 -5.211 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.671 -5.341 -5.452 1.00 0.00 H new ATOM 892 N ALA A 56 8.454 -5.830 -0.127 1.00 0.00 N ATOM 893 CA ALA A 56 8.964 -6.854 0.776 1.00 0.00 C ATOM 894 C ALA A 56 8.321 -6.701 2.152 1.00 0.00 C ATOM 895 O ALA A 56 7.800 -7.689 2.746 1.00 0.00 O ATOM 896 CB ALA A 56 10.474 -6.769 0.868 1.00 0.00 C ATOM 0 H ALA A 56 9.172 -5.238 -0.546 1.00 0.00 H new ATOM 0 HA ALA A 56 8.706 -7.838 0.384 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.841 -7.540 1.546 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.908 -6.919 -0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.761 -5.787 1.245 1.00 0.00 H new ATOM 902 N GLN A 57 8.295 -5.456 2.630 1.00 0.00 N ATOM 903 CA GLN A 57 7.661 -5.144 3.910 1.00 0.00 C ATOM 904 C GLN A 57 6.162 -5.489 3.827 1.00 0.00 C ATOM 905 O GLN A 57 5.599 -6.100 4.740 1.00 0.00 O ATOM 906 CB GLN A 57 7.868 -3.647 4.238 1.00 0.00 C ATOM 907 CG GLN A 57 7.585 -3.229 5.693 1.00 0.00 C ATOM 908 CD GLN A 57 6.122 -3.268 6.117 1.00 0.00 C ATOM 909 OE1 GLN A 57 5.213 -3.047 5.316 1.00 0.00 O ATOM 910 NE2 GLN A 57 5.901 -3.493 7.376 1.00 0.00 N ATOM 0 H GLN A 57 8.703 -4.652 2.153 1.00 0.00 H new ATOM 0 HA GLN A 57 8.112 -5.734 4.708 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.898 -3.382 3.999 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.227 -3.059 3.581 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.154 -3.880 6.356 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.961 -2.216 5.841 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.682 -3.672 8.007 1.00 0.00 H new ATOM 0 HE22 GLN A 57 4.946 -3.491 7.734 1.00 0.00 H new ATOM 919 N PHE A 58 5.555 -5.120 2.711 1.00 0.00 N ATOM 920 CA PHE A 58 4.144 -5.333 2.453 1.00 0.00 C ATOM 921 C PHE A 58 3.792 -6.800 2.511 1.00 0.00 C ATOM 922 O PHE A 58 2.790 -7.137 3.064 1.00 0.00 O ATOM 923 CB PHE A 58 3.742 -4.721 1.106 1.00 0.00 C ATOM 924 CG PHE A 58 2.266 -4.749 0.784 1.00 0.00 C ATOM 925 CD1 PHE A 58 1.319 -4.399 1.736 1.00 0.00 C ATOM 926 CD2 PHE A 58 1.832 -5.115 -0.477 1.00 0.00 C ATOM 927 CE1 PHE A 58 -0.024 -4.418 1.433 1.00 0.00 C ATOM 928 CE2 PHE A 58 0.487 -5.132 -0.787 1.00 0.00 C ATOM 929 CZ PHE A 58 -0.442 -4.781 0.169 1.00 0.00 C ATOM 0 H PHE A 58 6.041 -4.655 1.945 1.00 0.00 H new ATOM 0 HA PHE A 58 3.579 -4.829 3.237 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.080 -3.685 1.084 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.277 -5.247 0.315 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.639 -4.108 2.726 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.555 -5.391 -1.230 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.751 -4.149 2.185 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.163 -5.420 -1.776 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.495 -4.790 -0.071 1.00 0.00 H new ATOM 939 N TYR A 59 4.630 -7.669 1.944 1.00 0.00 N ATOM 940 CA TYR A 59 4.398 -9.109 2.047 1.00 0.00 C ATOM 941 C TYR A 59 4.304 -9.520 3.499 1.00 0.00 C ATOM 942 O TYR A 59 3.389 -10.246 3.879 1.00 0.00 O ATOM 943 CB TYR A 59 5.479 -9.946 1.365 1.00 0.00 C ATOM 944 CG TYR A 59 5.419 -10.037 -0.139 1.00 0.00 C ATOM 945 CD1 TYR A 59 4.375 -10.697 -0.774 1.00 0.00 C ATOM 946 CD2 TYR A 59 6.431 -9.519 -0.920 1.00 0.00 C ATOM 947 CE1 TYR A 59 4.347 -10.829 -2.148 1.00 0.00 C ATOM 948 CE2 TYR A 59 6.406 -9.640 -2.291 1.00 0.00 C ATOM 949 CZ TYR A 59 5.367 -10.295 -2.900 1.00 0.00 C ATOM 950 OH TYR A 59 5.347 -10.420 -4.273 1.00 0.00 O ATOM 0 H TYR A 59 5.463 -7.406 1.417 1.00 0.00 H new ATOM 0 HA TYR A 59 3.459 -9.302 1.529 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.451 -9.537 1.642 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.431 -10.957 1.769 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.572 -11.114 -0.184 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.258 -9.009 -0.447 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.530 -11.348 -2.628 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.203 -9.220 -2.886 1.00 0.00 H new ATOM 0 HH TYR A 59 4.814 -9.694 -4.660 1.00 0.00 H new ATOM 960 N THR A 60 5.226 -9.015 4.307 1.00 0.00 N ATOM 961 CA THR A 60 5.238 -9.302 5.729 1.00 0.00 C ATOM 962 C THR A 60 3.894 -8.884 6.404 1.00 0.00 C ATOM 963 O THR A 60 3.219 -9.709 7.033 1.00 0.00 O ATOM 964 CB THR A 60 6.417 -8.560 6.404 1.00 0.00 C ATOM 965 OG1 THR A 60 7.661 -8.922 5.760 1.00 0.00 O ATOM 966 CG2 THR A 60 6.495 -8.890 7.883 1.00 0.00 C ATOM 0 H THR A 60 5.979 -8.401 3.996 1.00 0.00 H new ATOM 0 HA THR A 60 5.361 -10.378 5.856 1.00 0.00 H new ATOM 0 HB THR A 60 6.248 -7.488 6.298 1.00 0.00 H new ATOM 0 HG1 THR A 60 8.403 -8.448 6.191 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.332 -8.355 8.331 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.568 -8.590 8.372 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.641 -9.963 8.009 1.00 0.00 H new ATOM 974 N ASP A 61 3.500 -7.632 6.208 1.00 0.00 N ATOM 975 CA ASP A 61 2.296 -7.064 6.860 1.00 0.00 C ATOM 976 C ASP A 61 0.992 -7.650 6.290 1.00 0.00 C ATOM 977 O ASP A 61 0.099 -8.054 7.020 1.00 0.00 O ATOM 978 CB ASP A 61 2.307 -5.536 6.718 1.00 0.00 C ATOM 979 CG ASP A 61 1.173 -4.842 7.459 1.00 0.00 C ATOM 980 OD1 ASP A 61 1.199 -4.804 8.709 1.00 0.00 O ATOM 981 OD2 ASP A 61 0.301 -4.252 6.805 1.00 0.00 O ATOM 0 H ASP A 61 3.991 -6.976 5.601 1.00 0.00 H new ATOM 0 HA ASP A 61 2.329 -7.335 7.915 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.258 -5.153 7.088 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.249 -5.278 5.661 1.00 0.00 H new ATOM 986 N LEU A 62 0.938 -7.765 4.983 1.00 0.00 N ATOM 987 CA LEU A 62 -0.236 -8.250 4.256 1.00 0.00 C ATOM 988 C LEU A 62 -0.577 -9.694 4.638 1.00 0.00 C ATOM 989 O LEU A 62 -1.739 -10.083 4.667 1.00 0.00 O ATOM 990 CB LEU A 62 0.036 -8.166 2.751 1.00 0.00 C ATOM 991 CG LEU A 62 -1.107 -8.500 1.814 1.00 0.00 C ATOM 992 CD1 LEU A 62 -2.235 -7.518 2.000 1.00 0.00 C ATOM 993 CD2 LEU A 62 -0.621 -8.483 0.377 1.00 0.00 C ATOM 0 H LEU A 62 1.719 -7.522 4.374 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.088 -7.624 4.522 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.371 -7.153 2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.866 -8.835 2.521 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.476 -9.499 2.046 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.051 -7.768 1.321 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.592 -7.564 3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.880 -6.510 1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.449 -8.724 -0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.236 -7.492 0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.172 -9.220 0.252 1.00 0.00 H new ATOM 1005 N ASN A 63 0.440 -10.480 4.938 1.00 0.00 N ATOM 1006 CA ASN A 63 0.243 -11.895 5.283 1.00 0.00 C ATOM 1007 C ASN A 63 -0.390 -12.081 6.652 1.00 0.00 C ATOM 1008 O ASN A 63 -0.946 -13.138 6.944 1.00 0.00 O ATOM 1009 CB ASN A 63 1.549 -12.691 5.188 1.00 0.00 C ATOM 1010 CG ASN A 63 1.976 -13.044 3.762 1.00 0.00 C ATOM 1011 OD1 ASN A 63 1.560 -12.282 2.779 1.00 0.00 O flip ATOM 1012 ND2 ASN A 63 2.681 -14.030 3.551 1.00 0.00 N flip ATOM 0 H ASN A 63 1.413 -10.173 4.953 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.455 -12.288 4.543 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.345 -12.115 5.660 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.440 -13.613 5.760 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.994 -14.609 4.330 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.953 -14.268 2.597 1.00 0.00 H new ATOM 1019 N ILE A 64 -0.326 -11.067 7.486 1.00 0.00 N ATOM 1020 CA ILE A 64 -0.906 -11.159 8.817 1.00 0.00 C ATOM 1021 C ILE A 64 -2.207 -10.355 8.879 1.00 0.00 C ATOM 1022 O ILE A 64 -2.829 -10.240 9.929 1.00 0.00 O ATOM 1023 CB ILE A 64 0.081 -10.674 9.939 1.00 0.00 C ATOM 1024 CG1 ILE A 64 0.399 -9.173 9.806 1.00 0.00 C ATOM 1025 CG2 ILE A 64 1.371 -11.489 9.896 1.00 0.00 C ATOM 1026 CD1 ILE A 64 1.273 -8.613 10.910 1.00 0.00 C ATOM 0 H ILE A 64 0.117 -10.173 7.273 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.114 -12.212 9.005 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.410 -10.827 10.900 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.892 -9.003 8.849 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.538 -8.617 9.785 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.046 -11.143 10.678 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.141 -12.543 10.055 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.848 -11.364 8.924 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.445 -7.551 10.735 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.776 -8.746 11.871 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.228 -9.138 10.920 1.00 0.00 H new ATOM 1038 N ASP A 65 -2.628 -9.855 7.735 1.00 0.00 N ATOM 1039 CA ASP A 65 -3.783 -8.961 7.650 1.00 0.00 C ATOM 1040 C ASP A 65 -5.115 -9.722 7.671 1.00 0.00 C ATOM 1041 O ASP A 65 -5.202 -10.881 7.210 1.00 0.00 O ATOM 1042 CB ASP A 65 -3.684 -8.059 6.409 1.00 0.00 C ATOM 1043 CG ASP A 65 -4.826 -7.078 6.312 1.00 0.00 C ATOM 1044 OD1 ASP A 65 -4.767 -6.012 6.951 1.00 0.00 O ATOM 1045 OD2 ASP A 65 -5.810 -7.380 5.641 1.00 0.00 O ATOM 0 H ASP A 65 -2.186 -10.051 6.837 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.766 -8.332 8.540 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.742 -7.512 6.436 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.666 -8.680 5.513 1.00 0.00 H new ATOM 1050 N GLY A 66 -6.142 -9.077 8.218 1.00 0.00 N ATOM 1051 CA GLY A 66 -7.446 -9.687 8.337 1.00 0.00 C ATOM 1052 C GLY A 66 -8.524 -9.044 7.466 1.00 0.00 C ATOM 1053 O GLY A 66 -9.720 -9.314 7.642 1.00 0.00 O ATOM 0 H GLY A 66 -6.087 -8.127 8.585 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.366 -10.742 8.075 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.762 -9.640 9.379 1.00 0.00 H new ATOM 1057 N ARG A 67 -8.141 -8.189 6.558 1.00 0.00 N ATOM 1058 CA ARG A 67 -9.103 -7.596 5.642 1.00 0.00 C ATOM 1059 C ARG A 67 -8.869 -8.200 4.285 1.00 0.00 C ATOM 1060 O ARG A 67 -9.804 -8.543 3.559 1.00 0.00 O ATOM 1061 CB ARG A 67 -8.989 -6.054 5.519 1.00 0.00 C ATOM 1062 CG ARG A 67 -9.082 -5.248 6.812 1.00 0.00 C ATOM 1063 CD ARG A 67 -7.785 -5.309 7.588 1.00 0.00 C ATOM 1064 NE ARG A 67 -7.776 -4.434 8.754 1.00 0.00 N ATOM 1065 CZ ARG A 67 -6.684 -3.804 9.196 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -5.512 -4.003 8.606 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -6.760 -3.007 10.248 1.00 0.00 N ATOM 0 H ARG A 67 -7.177 -7.882 6.425 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.098 -7.803 6.036 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.037 -5.821 5.042 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.775 -5.709 4.847 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.322 -4.210 6.580 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.895 -5.634 7.427 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.609 -6.335 7.910 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.961 -5.035 6.929 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.651 -4.295 9.260 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -5.442 -4.639 7.812 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.681 -3.520 8.947 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.653 -2.873 10.723 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.926 -2.526 10.585 1.00 0.00 H new ATOM 1081 N PHE A 68 -7.613 -8.334 3.967 1.00 0.00 N ATOM 1082 CA PHE A 68 -7.157 -8.885 2.735 1.00 0.00 C ATOM 1083 C PHE A 68 -7.237 -10.382 2.686 1.00 0.00 C ATOM 1084 O PHE A 68 -7.309 -11.067 3.712 1.00 0.00 O ATOM 1085 CB PHE A 68 -5.746 -8.438 2.444 1.00 0.00 C ATOM 1086 CG PHE A 68 -5.684 -7.267 1.545 1.00 0.00 C ATOM 1087 CD1 PHE A 68 -6.056 -6.008 1.972 1.00 0.00 C ATOM 1088 CD2 PHE A 68 -5.251 -7.434 0.254 1.00 0.00 C ATOM 1089 CE1 PHE A 68 -5.996 -4.942 1.109 1.00 0.00 C ATOM 1090 CE2 PHE A 68 -5.185 -6.387 -0.603 1.00 0.00 C ATOM 1091 CZ PHE A 68 -5.558 -5.138 -0.186 1.00 0.00 C ATOM 0 H PHE A 68 -6.854 -8.050 4.587 1.00 0.00 H new ATOM 0 HA PHE A 68 -7.832 -8.507 1.967 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.247 -8.195 3.382 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.195 -9.264 1.994 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.395 -5.861 2.987 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.958 -8.417 -0.085 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.289 -3.957 1.441 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -4.838 -6.538 -1.615 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.510 -4.304 -0.871 1.00 0.00 H new ATOM 1101 N LEU A 69 -7.230 -10.872 1.489 1.00 0.00 N ATOM 1102 CA LEU A 69 -7.281 -12.262 1.203 1.00 0.00 C ATOM 1103 C LEU A 69 -6.652 -12.522 -0.134 1.00 0.00 C ATOM 1104 O LEU A 69 -6.885 -11.769 -1.080 1.00 0.00 O ATOM 1105 CB LEU A 69 -8.736 -12.713 1.140 1.00 0.00 C ATOM 1106 CG LEU A 69 -8.991 -14.125 0.625 1.00 0.00 C ATOM 1107 CD1 LEU A 69 -8.431 -15.168 1.558 1.00 0.00 C ATOM 1108 CD2 LEU A 69 -10.453 -14.338 0.407 1.00 0.00 C ATOM 0 H LEU A 69 -7.187 -10.289 0.653 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.748 -12.806 1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.161 -12.633 2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.282 -12.015 0.505 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.474 -14.233 -0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.633 -16.161 1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.354 -15.028 1.656 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.900 -15.070 2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.622 -15.350 0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.985 -14.200 1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.820 -13.619 -0.326 1.00 0.00 H new ATOM 1120 N ALA A 70 -5.842 -13.542 -0.203 1.00 0.00 N ATOM 1121 CA ALA A 70 -5.358 -14.022 -1.459 1.00 0.00 C ATOM 1122 C ALA A 70 -6.409 -14.995 -1.925 1.00 0.00 C ATOM 1123 O ALA A 70 -6.567 -16.060 -1.325 1.00 0.00 O ATOM 1124 CB ALA A 70 -4.009 -14.709 -1.300 1.00 0.00 C ATOM 0 H ALA A 70 -5.503 -14.059 0.608 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.199 -13.215 -2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.665 -15.064 -2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.286 -14.001 -0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.109 -15.554 -0.619 1.00 0.00 H new ATOM 1130 N LEU A 71 -7.176 -14.582 -2.921 1.00 0.00 N ATOM 1131 CA LEU A 71 -8.339 -15.310 -3.398 1.00 0.00 C ATOM 1132 C LEU A 71 -8.045 -16.779 -3.734 1.00 0.00 C ATOM 1133 O LEU A 71 -8.249 -17.649 -2.887 1.00 0.00 O ATOM 1134 CB LEU A 71 -9.010 -14.598 -4.576 1.00 0.00 C ATOM 1135 CG LEU A 71 -9.402 -13.124 -4.391 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -10.085 -12.631 -5.628 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -10.297 -12.893 -3.181 1.00 0.00 C ATOM 0 H LEU A 71 -7.004 -13.715 -3.430 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.040 -15.322 -2.563 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.339 -14.661 -5.432 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -9.911 -15.154 -4.835 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.482 -12.567 -4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.364 -11.585 -5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.409 -12.723 -6.478 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.981 -13.225 -5.810 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.539 -11.833 -3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.216 -13.468 -3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -9.777 -13.213 -2.278 1.00 0.00 H new ATOM 1149 N SER A 72 -7.613 -17.085 -4.949 1.00 0.00 N ATOM 1150 CA SER A 72 -7.333 -18.470 -5.241 1.00 0.00 C ATOM 1151 C SER A 72 -5.841 -18.783 -5.216 1.00 0.00 C ATOM 1152 O SER A 72 -5.379 -19.541 -4.359 1.00 0.00 O ATOM 1153 CB SER A 72 -7.972 -18.895 -6.584 1.00 0.00 C ATOM 1154 OG SER A 72 -7.726 -20.264 -6.890 1.00 0.00 O ATOM 0 H SER A 72 -7.457 -16.425 -5.711 1.00 0.00 H new ATOM 0 HA SER A 72 -7.788 -19.058 -4.445 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.047 -18.722 -6.543 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.578 -18.269 -7.385 1.00 0.00 H new ATOM 0 HG SER A 72 -8.149 -20.489 -7.745 1.00 0.00 H new ATOM 1160 N ASP A 73 -5.074 -18.177 -6.110 1.00 0.00 N ATOM 1161 CA ASP A 73 -3.654 -18.524 -6.176 1.00 0.00 C ATOM 1162 C ASP A 73 -2.725 -17.323 -6.032 1.00 0.00 C ATOM 1163 O ASP A 73 -1.578 -17.474 -5.632 1.00 0.00 O ATOM 1164 CB ASP A 73 -3.392 -19.218 -7.527 1.00 0.00 C ATOM 1165 CG ASP A 73 -1.976 -19.731 -7.714 1.00 0.00 C ATOM 1166 OD1 ASP A 73 -1.097 -18.964 -8.121 1.00 0.00 O ATOM 1167 OD2 ASP A 73 -1.741 -20.947 -7.509 1.00 0.00 O ATOM 0 H ASP A 73 -5.388 -17.471 -6.776 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.435 -19.180 -5.334 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.083 -20.054 -7.630 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.618 -18.517 -8.330 1.00 0.00 H new ATOM 1172 N GLN A 74 -3.241 -16.120 -6.242 1.00 0.00 N ATOM 1173 CA GLN A 74 -2.354 -14.929 -6.284 1.00 0.00 C ATOM 1174 C GLN A 74 -3.079 -13.596 -6.248 1.00 0.00 C ATOM 1175 O GLN A 74 -2.475 -12.569 -5.932 1.00 0.00 O ATOM 1176 CB GLN A 74 -1.355 -14.981 -7.496 1.00 0.00 C ATOM 1177 CG GLN A 74 -1.902 -15.605 -8.803 1.00 0.00 C ATOM 1178 CD GLN A 74 -3.122 -14.919 -9.398 1.00 0.00 C ATOM 1179 OE1 GLN A 74 -3.307 -13.704 -9.303 1.00 0.00 O ATOM 1180 NE2 GLN A 74 -3.983 -15.700 -9.985 1.00 0.00 N ATOM 0 H GLN A 74 -4.233 -15.928 -6.383 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.787 -14.985 -5.355 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.025 -13.965 -7.713 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.473 -15.544 -7.190 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.106 -15.601 -9.547 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -2.152 -16.648 -8.610 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.802 -16.702 -10.048 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.838 -15.310 -10.381 1.00 0.00 H new ATOM 1189 N THR A 75 -4.339 -13.597 -6.572 1.00 0.00 N ATOM 1190 CA THR A 75 -5.085 -12.378 -6.631 1.00 0.00 C ATOM 1191 C THR A 75 -5.471 -11.958 -5.230 1.00 0.00 C ATOM 1192 O THR A 75 -6.035 -12.751 -4.490 1.00 0.00 O ATOM 1193 CB THR A 75 -6.359 -12.582 -7.457 1.00 0.00 C ATOM 1194 OG1 THR A 75 -6.033 -13.287 -8.683 1.00 0.00 O ATOM 1195 CG2 THR A 75 -6.978 -11.242 -7.802 1.00 0.00 C ATOM 0 H THR A 75 -4.873 -14.435 -6.801 1.00 0.00 H new ATOM 0 HA THR A 75 -4.470 -11.608 -7.097 1.00 0.00 H new ATOM 0 HB THR A 75 -7.070 -13.165 -6.872 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.063 -13.275 -8.819 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.883 -11.400 -8.389 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.229 -10.710 -6.884 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.268 -10.651 -8.381 1.00 0.00 H new ATOM 1203 N TRP A 76 -5.163 -10.754 -4.862 1.00 0.00 N ATOM 1204 CA TRP A 76 -5.531 -10.290 -3.579 1.00 0.00 C ATOM 1205 C TRP A 76 -6.817 -9.522 -3.679 1.00 0.00 C ATOM 1206 O TRP A 76 -7.249 -9.131 -4.781 1.00 0.00 O ATOM 1207 CB TRP A 76 -4.418 -9.460 -2.924 1.00 0.00 C ATOM 1208 CG TRP A 76 -3.220 -10.277 -2.513 1.00 0.00 C ATOM 1209 CD1 TRP A 76 -2.158 -10.618 -3.290 1.00 0.00 C ATOM 1210 CD2 TRP A 76 -2.966 -10.854 -1.217 1.00 0.00 C ATOM 1211 NE1 TRP A 76 -1.262 -11.370 -2.567 1.00 0.00 N ATOM 1212 CE2 TRP A 76 -1.733 -11.530 -1.295 1.00 0.00 C ATOM 1213 CE3 TRP A 76 -3.660 -10.866 -0.003 1.00 0.00 C ATOM 1214 CZ2 TRP A 76 -1.179 -12.207 -0.204 1.00 0.00 C ATOM 1215 CZ3 TRP A 76 -3.111 -11.538 1.075 1.00 0.00 C ATOM 1216 CH2 TRP A 76 -1.883 -12.199 0.968 1.00 0.00 C ATOM 0 H TRP A 76 -4.657 -10.081 -5.438 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.684 -11.151 -2.928 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.097 -8.684 -3.619 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.821 -8.955 -2.046 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -2.036 -10.339 -4.326 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -0.385 -11.748 -2.924 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.609 -10.359 0.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -0.230 -12.717 -0.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -3.640 -11.552 2.016 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.483 -12.714 1.829 1.00 0.00 H new ATOM 1227 N GLY A 77 -7.442 -9.364 -2.578 1.00 0.00 N ATOM 1228 CA GLY A 77 -8.647 -8.647 -2.500 1.00 0.00 C ATOM 1229 C GLY A 77 -9.092 -8.609 -1.092 1.00 0.00 C ATOM 1230 O GLY A 77 -8.271 -8.754 -0.187 1.00 0.00 O ATOM 0 H GLY A 77 -7.121 -9.739 -1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.508 -7.634 -2.879 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.407 -9.119 -3.123 1.00 0.00 H new ATOM 1234 N LEU A 78 -10.357 -8.478 -0.890 1.00 0.00 N ATOM 1235 CA LEU A 78 -10.894 -8.405 0.430 1.00 0.00 C ATOM 1236 C LEU A 78 -11.559 -9.712 0.763 1.00 0.00 C ATOM 1237 O LEU A 78 -12.235 -10.312 -0.078 1.00 0.00 O ATOM 1238 CB LEU A 78 -11.883 -7.240 0.562 1.00 0.00 C ATOM 1239 CG LEU A 78 -11.324 -5.836 0.281 1.00 0.00 C ATOM 1240 CD1 LEU A 78 -12.416 -4.797 0.407 1.00 0.00 C ATOM 1241 CD2 LEU A 78 -10.172 -5.500 1.220 1.00 0.00 C ATOM 0 H LEU A 78 -11.052 -8.418 -1.634 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.083 -8.222 1.135 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.715 -7.419 -0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.290 -7.250 1.573 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.943 -5.829 -0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.003 -3.809 0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.208 -5.013 -0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.825 -4.820 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.799 -4.501 0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.522 -5.533 2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.370 -6.225 1.086 1.00 0.00 H new ATOM 1253 N ARG A 79 -11.344 -10.159 1.966 1.00 0.00 N ATOM 1254 CA ARG A 79 -11.875 -11.405 2.456 1.00 0.00 C ATOM 1255 C ARG A 79 -13.360 -11.245 2.740 1.00 0.00 C ATOM 1256 O ARG A 79 -14.134 -12.187 2.643 1.00 0.00 O ATOM 1257 CB ARG A 79 -11.119 -11.765 3.741 1.00 0.00 C ATOM 1258 CG ARG A 79 -11.381 -13.151 4.279 1.00 0.00 C ATOM 1259 CD ARG A 79 -10.463 -13.456 5.450 1.00 0.00 C ATOM 1260 NE ARG A 79 -10.748 -12.647 6.651 1.00 0.00 N ATOM 1261 CZ ARG A 79 -9.937 -12.535 7.719 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -8.664 -12.910 7.640 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -10.389 -11.974 8.830 1.00 0.00 N ATOM 0 H ARG A 79 -10.781 -9.657 2.653 1.00 0.00 H new ATOM 0 HA ARG A 79 -11.751 -12.198 1.718 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.050 -11.662 3.555 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -11.380 -11.039 4.511 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.421 -13.233 4.595 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.229 -13.887 3.490 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.551 -14.512 5.704 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -9.430 -13.287 5.145 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.628 -12.133 6.673 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.296 -13.285 6.766 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.055 -12.822 8.454 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -11.348 -11.629 8.874 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -9.778 -11.887 9.642 1.00 0.00 H new ATOM 1277 N SER A 80 -13.727 -10.024 3.003 1.00 0.00 N ATOM 1278 CA SER A 80 -15.038 -9.642 3.406 1.00 0.00 C ATOM 1279 C SER A 80 -16.075 -9.628 2.270 1.00 0.00 C ATOM 1280 O SER A 80 -17.270 -9.597 2.545 1.00 0.00 O ATOM 1281 CB SER A 80 -14.910 -8.285 4.047 1.00 0.00 C ATOM 1282 OG SER A 80 -13.972 -7.496 3.310 1.00 0.00 O ATOM 0 H SER A 80 -13.085 -9.234 2.937 1.00 0.00 H new ATOM 0 HA SER A 80 -15.424 -10.389 4.100 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.880 -7.789 4.070 1.00 0.00 H new ATOM 0 HB3 SER A 80 -14.581 -8.389 5.081 1.00 0.00 H new ATOM 0 HG SER A 80 -13.890 -6.612 3.726 1.00 0.00 H new ATOM 1288 N TRP A 81 -15.637 -9.675 1.004 1.00 0.00 N ATOM 1289 CA TRP A 81 -16.590 -9.641 -0.131 1.00 0.00 C ATOM 1290 C TRP A 81 -17.405 -10.903 -0.212 1.00 0.00 C ATOM 1291 O TRP A 81 -18.424 -10.963 -0.900 1.00 0.00 O ATOM 1292 CB TRP A 81 -15.903 -9.525 -1.473 1.00 0.00 C ATOM 1293 CG TRP A 81 -15.245 -8.250 -1.794 1.00 0.00 C ATOM 1294 CD1 TRP A 81 -15.686 -6.987 -1.535 1.00 0.00 C ATOM 1295 CD2 TRP A 81 -14.052 -8.122 -2.540 1.00 0.00 C ATOM 1296 NE1 TRP A 81 -14.812 -6.077 -2.059 1.00 0.00 N ATOM 1297 CE2 TRP A 81 -13.798 -6.750 -2.685 1.00 0.00 C ATOM 1298 CE3 TRP A 81 -13.158 -9.048 -3.091 1.00 0.00 C ATOM 1299 CZ2 TRP A 81 -12.696 -6.274 -3.367 1.00 0.00 C ATOM 1300 CZ3 TRP A 81 -12.061 -8.572 -3.768 1.00 0.00 C ATOM 1301 CH2 TRP A 81 -11.840 -7.196 -3.901 1.00 0.00 C ATOM 0 H TRP A 81 -14.655 -9.735 0.736 1.00 0.00 H new ATOM 0 HA TRP A 81 -17.209 -8.766 0.065 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -15.154 -10.315 -1.536 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -16.643 -9.725 -2.248 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -16.590 -6.742 -0.997 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -14.901 -5.063 -1.994 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.326 -10.110 -2.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -12.517 -5.214 -3.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.360 -9.269 -4.203 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -10.969 -6.854 -4.440 1.00 0.00 H new ATOM 1312 N TYR A 82 -16.940 -11.907 0.421 1.00 0.00 N ATOM 1313 CA TYR A 82 -17.541 -13.187 0.344 1.00 0.00 C ATOM 1314 C TYR A 82 -17.643 -13.668 1.775 1.00 0.00 C ATOM 1315 O TYR A 82 -17.161 -12.976 2.662 1.00 0.00 O ATOM 1316 CB TYR A 82 -16.628 -14.133 -0.453 1.00 0.00 C ATOM 1317 CG TYR A 82 -16.004 -13.578 -1.732 1.00 0.00 C ATOM 1318 CD1 TYR A 82 -14.767 -12.941 -1.692 1.00 0.00 C ATOM 1319 CD2 TYR A 82 -16.608 -13.739 -2.963 1.00 0.00 C ATOM 1320 CE1 TYR A 82 -14.161 -12.483 -2.825 1.00 0.00 C ATOM 1321 CE2 TYR A 82 -15.996 -13.285 -4.117 1.00 0.00 C ATOM 1322 CZ TYR A 82 -14.768 -12.657 -4.035 1.00 0.00 C ATOM 1323 OH TYR A 82 -14.138 -12.211 -5.177 1.00 0.00 O ATOM 0 H TYR A 82 -16.115 -11.867 1.020 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.513 -13.157 -0.148 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -15.822 -14.459 0.204 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -17.205 -15.020 -0.714 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -14.275 -12.806 -0.740 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -17.570 -14.225 -3.025 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -13.205 -11.985 -2.765 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -16.475 -13.420 -5.076 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.697 -12.409 -5.957 1.00 0.00 H new TER 1333 TYR A 82