USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 618 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 69 ASN : amide:sc= -0.247 K(o=0.79,f=-3!) USER MOD Set 1.2: A 72 LYS NZ :NH3+ -169:sc= 1.04 (180deg=0.735) USER MOD Set 2.1: A 46 HIS : no HE2:sc= -4.4! C(o=-4.4!,f=-7.7!) USER MOD Set 2.2: A 48 SER OG : rot 180:sc= -0.0308 USER MOD Set 3.1: A 39 HIS : no HE2:sc= -7.86! C(o=-11!,f=-12!) USER MOD Set 3.2: A 43 MET CE :methyl 142:sc= -2.88 (180deg=-6.61!) USER MOD Single : A 4 LYS NZ :NH3+ -170:sc= 2.28 (180deg=2.12) USER MOD Single : A 5 HIS : no HD1:sc= -0.38 X(o=-0.38,f=-0.1) USER MOD Single : A 6 SER OG : rot 119:sc= 1.3 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 48:sc= 1.81 USER MOD Single : A 11 THR OG1 : rot 170:sc= 0.192 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 20 THR OG1 : rot 100:sc= 0.138 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 23 CYS SG : rot 66:sc= 0.246 USER MOD Single : A 24 ASN : amide:sc= 0.906 K(o=0.91,f=0) USER MOD Single : A 27 THR OG1 : rot -37:sc= 0.277 USER MOD Single : A 28 SER OG : rot -177:sc= 0.309 USER MOD Single : A 29 SER OG : rot -0:sc= 0.392 USER MOD Single : A 35 LYS NZ :NH3+ 176:sc= -0.256 (180deg=-0.387) USER MOD Single : A 38 THR OG1 : rot -54:sc= 1.29 USER MOD Single : A 44 THR OG1 : rot -1:sc= 0.561 USER MOD Single : A 50 SER OG : rot 86:sc= 1.25 USER MOD Single : A 54 TYR OH : rot 130:sc= -0.047 USER MOD Single : A 55 TYR OH : rot 85:sc= 0.739 USER MOD Single : A 57 LYS NZ :NH3+ -176:sc= 1.48 (180deg=1.47) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -94:sc= 0.161 USER MOD Single : A 70 THR OG1 : rot 120:sc= 0.7 USER MOD Single : A 73 GLN : amide:sc= 0.425 X(o=0.43,f=0) USER MOD Single : A 78 ASN : amide:sc= -0.919 K(o=-0.92,f=-2.2) USER MOD Single : A 80 LYS NZ :NH3+ -163:sc= 0.21 (180deg=-1.07!) USER MOD Single : A 81 SER OG : rot 64:sc= 0.873 USER MOD Single : A 84 LYS NZ :NH3+ -153:sc= 0.721 (180deg=-1.3!) USER MOD Single : A 85 GLN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 3 -2.035 2.403 10.946 1.00 0.00 N ATOM 36 CA LEU A 3 -1.003 2.555 9.985 1.00 0.00 C ATOM 37 C LEU A 3 0.118 1.780 10.624 1.00 0.00 C ATOM 38 O LEU A 3 0.026 0.555 10.679 1.00 0.00 O ATOM 39 CB LEU A 3 -0.707 4.037 9.696 1.00 0.00 C ATOM 40 CG LEU A 3 -1.646 4.621 8.639 1.00 0.00 C ATOM 41 CD1 LEU A 3 -1.226 6.067 8.359 1.00 0.00 C ATOM 42 CD2 LEU A 3 -1.592 3.785 7.377 1.00 0.00 C ATOM 0 HA LEU A 3 -1.232 2.182 8.987 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.800 4.610 10.618 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.325 4.140 9.359 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.674 4.609 9.001 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -1.886 6.498 7.607 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.293 6.650 9.278 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.199 6.083 7.993 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.264 4.209 6.631 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.574 3.780 6.987 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.899 2.764 7.603 1.00 0.00 H new ATOM 54 N LYS A 4 1.091 2.517 11.154 1.00 0.00 N ATOM 55 CA LYS A 4 2.417 2.172 11.632 1.00 0.00 C ATOM 56 C LYS A 4 3.312 3.376 11.432 1.00 0.00 C ATOM 57 O LYS A 4 2.856 4.429 10.986 1.00 0.00 O ATOM 58 CB LYS A 4 2.953 0.899 10.982 1.00 0.00 C ATOM 59 CG LYS A 4 3.262 -0.171 12.035 1.00 0.00 C ATOM 60 CD LYS A 4 1.996 -0.788 12.596 1.00 0.00 C ATOM 61 CE LYS A 4 2.077 -1.740 13.785 1.00 0.00 C ATOM 62 NZ LYS A 4 2.013 -3.154 13.370 1.00 0.00 N ATOM 0 H LYS A 4 0.936 3.518 11.272 1.00 0.00 H new ATOM 0 HA LYS A 4 2.383 1.933 12.695 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.221 0.514 10.272 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.856 1.128 10.416 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.881 -0.951 11.591 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.841 0.272 12.845 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.334 0.030 12.880 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.508 -1.325 11.782 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.006 -1.564 14.327 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.260 -1.528 14.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.901 -3.757 14.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.203 -3.293 12.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.891 -3.410 12.874 1.00 0.00 H new ATOM 76 N HIS A 5 4.576 3.231 11.825 1.00 0.00 N ATOM 77 CA HIS A 5 5.597 4.213 11.482 1.00 0.00 C ATOM 78 C HIS A 5 6.245 3.871 10.166 1.00 0.00 C ATOM 79 O HIS A 5 6.827 4.705 9.483 1.00 0.00 O ATOM 80 CB HIS A 5 6.656 4.331 12.578 1.00 0.00 C ATOM 81 CG HIS A 5 6.223 3.787 13.909 1.00 0.00 C ATOM 82 ND1 HIS A 5 5.298 4.335 14.770 1.00 0.00 N ATOM 83 CD2 HIS A 5 6.471 2.506 14.305 1.00 0.00 C ATOM 84 CE1 HIS A 5 5.006 3.395 15.686 1.00 0.00 C ATOM 85 NE2 HIS A 5 5.695 2.269 15.445 1.00 0.00 N ATOM 0 H HIS A 5 4.915 2.445 12.379 1.00 0.00 H new ATOM 0 HA HIS A 5 5.101 5.179 11.390 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.555 3.805 12.258 1.00 0.00 H new ATOM 0 HB3 HIS A 5 6.926 5.380 12.697 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.141 1.806 13.828 1.00 0.00 H new ATOM 0 HE1 HIS A 5 4.312 3.528 16.503 1.00 0.00 H new ATOM 0 HE2 HIS A 5 5.660 1.406 15.988 1.00 0.00 H new ATOM 93 N SER A 6 6.145 2.593 9.880 1.00 0.00 N ATOM 94 CA SER A 6 6.897 1.889 8.932 1.00 0.00 C ATOM 95 C SER A 6 6.082 0.792 8.318 1.00 0.00 C ATOM 96 O SER A 6 5.371 0.062 9.008 1.00 0.00 O ATOM 97 CB SER A 6 8.111 1.290 9.605 1.00 0.00 C ATOM 98 OG SER A 6 8.268 1.599 10.992 1.00 0.00 O ATOM 0 H SER A 6 5.473 1.993 10.358 1.00 0.00 H new ATOM 0 HA SER A 6 7.204 2.579 8.146 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.066 0.206 9.496 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.001 1.627 9.074 1.00 0.00 H new ATOM 0 HG SER A 6 8.254 0.771 11.515 1.00 0.00 H new ATOM 104 N ILE A 7 6.434 0.529 7.072 1.00 0.00 N ATOM 105 CA ILE A 7 6.103 -0.684 6.360 1.00 0.00 C ATOM 106 C ILE A 7 6.586 -1.929 7.098 1.00 0.00 C ATOM 107 O ILE A 7 6.293 -3.048 6.714 1.00 0.00 O ATOM 108 CB ILE A 7 6.725 -0.563 4.962 1.00 0.00 C ATOM 109 CG1 ILE A 7 6.367 -1.794 4.131 1.00 0.00 C ATOM 110 CG2 ILE A 7 8.252 -0.327 4.971 1.00 0.00 C ATOM 111 CD1 ILE A 7 6.611 -1.496 2.682 1.00 0.00 C ATOM 0 H ILE A 7 6.979 1.183 6.510 1.00 0.00 H new ATOM 0 HA ILE A 7 5.022 -0.800 6.285 1.00 0.00 H new ATOM 0 HB ILE A 7 6.299 0.331 4.507 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.967 -2.648 4.446 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.323 -2.063 4.289 1.00 0.00 H new ATOM 0 HG21 ILE A 7 8.615 -0.253 3.946 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.474 0.598 5.502 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.746 -1.160 5.471 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.357 -2.371 2.083 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.991 -0.654 2.374 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.662 -1.247 2.534 1.00 0.00 H new ATOM 123 N SER A 8 7.344 -1.746 8.161 1.00 0.00 N ATOM 124 CA SER A 8 8.226 -2.705 8.720 1.00 0.00 C ATOM 125 C SER A 8 7.867 -3.007 10.146 1.00 0.00 C ATOM 126 O SER A 8 8.187 -4.093 10.630 1.00 0.00 O ATOM 127 CB SER A 8 9.591 -2.151 8.476 1.00 0.00 C ATOM 128 OG SER A 8 10.353 -1.715 9.583 1.00 0.00 O ATOM 0 H SER A 8 7.348 -0.865 8.675 1.00 0.00 H new ATOM 0 HA SER A 8 8.164 -3.692 8.262 1.00 0.00 H new ATOM 0 HB2 SER A 8 10.170 -2.915 7.956 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.489 -1.308 7.792 1.00 0.00 H new ATOM 0 HG SER A 8 11.220 -1.381 9.272 1.00 0.00 H new ATOM 134 N ASP A 9 7.135 -2.088 10.787 1.00 0.00 N ATOM 135 CA ASP A 9 6.434 -2.479 11.984 1.00 0.00 C ATOM 136 C ASP A 9 5.209 -3.297 11.624 1.00 0.00 C ATOM 137 O ASP A 9 4.545 -3.806 12.531 1.00 0.00 O ATOM 138 CB ASP A 9 6.083 -1.235 12.803 1.00 0.00 C ATOM 139 CG ASP A 9 7.334 -0.853 13.582 1.00 0.00 C ATOM 140 OD1 ASP A 9 8.172 -0.161 12.955 1.00 0.00 O ATOM 141 OD2 ASP A 9 7.478 -1.326 14.729 1.00 0.00 O ATOM 0 H ASP A 9 7.023 -1.115 10.503 1.00 0.00 H new ATOM 0 HA ASP A 9 7.073 -3.111 12.602 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.769 -0.419 12.152 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.254 -1.439 13.480 1.00 0.00 H new ATOM 146 N TYR A 10 4.898 -3.442 10.328 1.00 0.00 N ATOM 147 CA TYR A 10 3.686 -4.114 9.887 1.00 0.00 C ATOM 148 C TYR A 10 4.015 -5.157 8.809 1.00 0.00 C ATOM 149 O TYR A 10 5.077 -5.106 8.185 1.00 0.00 O ATOM 150 CB TYR A 10 2.581 -3.071 9.631 1.00 0.00 C ATOM 151 CG TYR A 10 2.237 -2.467 8.292 1.00 0.00 C ATOM 152 CD1 TYR A 10 3.081 -2.521 7.173 1.00 0.00 C ATOM 153 CD2 TYR A 10 0.989 -1.820 8.196 1.00 0.00 C ATOM 154 CE1 TYR A 10 2.753 -1.792 6.020 1.00 0.00 C ATOM 155 CE2 TYR A 10 0.629 -1.153 7.023 1.00 0.00 C ATOM 156 CZ TYR A 10 1.580 -1.011 6.002 1.00 0.00 C ATOM 157 OH TYR A 10 1.364 -0.101 5.027 1.00 0.00 O ATOM 0 H TYR A 10 5.482 -3.096 9.566 1.00 0.00 H new ATOM 0 HA TYR A 10 3.236 -4.741 10.657 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.659 -3.520 9.999 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.810 -2.230 10.286 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.979 -3.121 7.199 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.308 -1.840 9.034 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.395 -1.829 5.152 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.367 -0.753 6.904 1.00 0.00 H new ATOM 0 HH TYR A 10 1.541 -0.509 4.154 1.00 0.00 H new ATOM 167 N THR A 11 3.214 -6.209 8.671 1.00 0.00 N ATOM 168 CA THR A 11 3.483 -7.296 7.727 1.00 0.00 C ATOM 169 C THR A 11 2.896 -6.919 6.374 1.00 0.00 C ATOM 170 O THR A 11 2.348 -5.830 6.193 1.00 0.00 O ATOM 171 CB THR A 11 3.024 -8.672 8.286 1.00 0.00 C ATOM 172 OG1 THR A 11 1.949 -9.302 7.613 1.00 0.00 O ATOM 173 CG2 THR A 11 2.654 -8.784 9.770 1.00 0.00 C ATOM 0 H THR A 11 2.357 -6.335 9.210 1.00 0.00 H new ATOM 0 HA THR A 11 4.556 -7.426 7.584 1.00 0.00 H new ATOM 0 HB THR A 11 3.978 -9.169 8.106 1.00 0.00 H new ATOM 0 HG1 THR A 11 1.851 -10.220 7.941 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.357 -9.808 9.995 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.515 -8.514 10.381 1.00 0.00 H new ATOM 0 HG23 THR A 11 1.827 -8.109 9.991 1.00 0.00 H new ATOM 181 N GLU A 12 2.975 -7.840 5.414 1.00 0.00 N ATOM 182 CA GLU A 12 2.204 -7.662 4.213 1.00 0.00 C ATOM 183 C GLU A 12 0.737 -7.508 4.510 1.00 0.00 C ATOM 184 O GLU A 12 0.133 -6.618 3.960 1.00 0.00 O ATOM 185 CB GLU A 12 2.387 -8.794 3.213 1.00 0.00 C ATOM 186 CG GLU A 12 1.699 -8.343 1.915 1.00 0.00 C ATOM 187 CD GLU A 12 1.601 -9.467 0.890 1.00 0.00 C ATOM 188 OE1 GLU A 12 2.547 -10.279 0.826 1.00 0.00 O ATOM 189 OE2 GLU A 12 0.730 -9.363 0.002 1.00 0.00 O ATOM 0 H GLU A 12 3.547 -8.684 5.451 1.00 0.00 H new ATOM 0 HA GLU A 12 2.586 -6.745 3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.445 -8.994 3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.944 -9.717 3.587 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.699 -7.976 2.145 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.253 -7.509 1.484 1.00 0.00 H new ATOM 196 N ALA A 13 0.165 -8.368 5.330 1.00 0.00 N ATOM 197 CA ALA A 13 -1.289 -8.509 5.434 1.00 0.00 C ATOM 198 C ALA A 13 -1.873 -7.204 5.950 1.00 0.00 C ATOM 199 O ALA A 13 -2.887 -6.716 5.474 1.00 0.00 O ATOM 200 CB ALA A 13 -1.640 -9.685 6.352 1.00 0.00 C ATOM 0 H ALA A 13 0.687 -8.992 5.946 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.718 -8.721 4.454 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.723 -9.781 6.422 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.220 -10.604 5.943 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.226 -9.508 7.345 1.00 0.00 H new ATOM 206 N GLU A 14 -1.126 -6.630 6.874 1.00 0.00 N ATOM 207 CA GLU A 14 -1.202 -5.315 7.440 1.00 0.00 C ATOM 208 C GLU A 14 -1.272 -4.205 6.377 1.00 0.00 C ATOM 209 O GLU A 14 -2.212 -3.412 6.391 1.00 0.00 O ATOM 210 CB GLU A 14 0.012 -5.267 8.393 1.00 0.00 C ATOM 211 CG GLU A 14 -0.482 -5.525 9.822 1.00 0.00 C ATOM 212 CD GLU A 14 0.553 -5.469 10.954 1.00 0.00 C ATOM 213 OE1 GLU A 14 1.550 -6.220 10.896 1.00 0.00 O ATOM 214 OE2 GLU A 14 0.389 -4.660 11.893 1.00 0.00 O ATOM 0 H GLU A 14 -0.355 -7.151 7.292 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.126 -5.123 7.985 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.749 -6.017 8.106 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.504 -4.296 8.332 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.262 -4.797 10.044 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.950 -6.509 9.843 1.00 0.00 H new ATOM 221 N PHE A 15 -0.353 -4.180 5.410 1.00 0.00 N ATOM 222 CA PHE A 15 -0.392 -3.226 4.294 1.00 0.00 C ATOM 223 C PHE A 15 -1.458 -3.631 3.308 1.00 0.00 C ATOM 224 O PHE A 15 -2.058 -2.782 2.653 1.00 0.00 O ATOM 225 CB PHE A 15 0.940 -3.234 3.529 1.00 0.00 C ATOM 226 CG PHE A 15 1.300 -2.043 2.632 1.00 0.00 C ATOM 227 CD1 PHE A 15 0.453 -0.927 2.484 1.00 0.00 C ATOM 228 CD2 PHE A 15 2.571 -1.992 2.022 1.00 0.00 C ATOM 229 CE1 PHE A 15 0.908 0.242 1.858 1.00 0.00 C ATOM 230 CE2 PHE A 15 3.004 -0.849 1.333 1.00 0.00 C ATOM 231 CZ PHE A 15 2.182 0.282 1.274 1.00 0.00 C ATOM 0 H PHE A 15 0.441 -4.820 5.376 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.591 -2.240 4.713 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.738 -3.344 4.263 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.954 -4.129 2.906 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.559 -0.973 2.857 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.224 -2.850 2.087 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.274 1.116 1.825 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.970 -0.842 0.849 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.527 1.180 0.782 1.00 0.00 H new ATOM 241 N LEU A 16 -1.691 -4.931 3.147 1.00 0.00 N ATOM 242 CA LEU A 16 -2.544 -5.341 2.054 1.00 0.00 C ATOM 243 C LEU A 16 -3.959 -4.920 2.369 1.00 0.00 C ATOM 244 O LEU A 16 -4.674 -4.403 1.524 1.00 0.00 O ATOM 245 CB LEU A 16 -2.395 -6.838 1.851 1.00 0.00 C ATOM 246 CG LEU A 16 -3.232 -7.397 0.694 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.376 -6.521 -0.540 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.552 -8.655 0.118 1.00 0.00 C ATOM 0 H LEU A 16 -1.319 -5.680 3.731 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.263 -4.863 1.116 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.345 -7.067 1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.679 -7.349 2.771 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.206 -7.533 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.990 -7.033 -1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.850 -5.579 -0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.391 -6.321 -0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.151 -9.048 -0.704 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.559 -8.396 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.465 -9.411 0.898 1.00 0.00 H new ATOM 260 N GLN A 17 -4.306 -5.037 3.635 1.00 0.00 N ATOM 261 CA GLN A 17 -5.493 -4.627 4.258 1.00 0.00 C ATOM 262 C GLN A 17 -5.617 -3.117 4.178 1.00 0.00 C ATOM 263 O GLN A 17 -6.716 -2.601 4.054 1.00 0.00 O ATOM 264 CB GLN A 17 -5.503 -5.128 5.710 1.00 0.00 C ATOM 265 CG GLN A 17 -6.647 -4.476 6.477 1.00 0.00 C ATOM 266 CD GLN A 17 -6.998 -5.149 7.803 1.00 0.00 C ATOM 267 OE1 GLN A 17 -6.898 -6.358 7.974 1.00 0.00 O ATOM 268 NE2 GLN A 17 -7.450 -4.378 8.779 1.00 0.00 N ATOM 0 H GLN A 17 -3.673 -5.475 4.304 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.356 -5.055 3.748 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.613 -6.212 5.729 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.553 -4.895 6.190 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.388 -3.435 6.672 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.534 -4.471 5.843 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.533 -3.371 8.637 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -7.715 -4.790 9.673 1.00 0.00 H new ATOM 277 N LEU A 18 -4.502 -2.407 4.263 1.00 0.00 N ATOM 278 CA LEU A 18 -4.496 -0.968 4.282 1.00 0.00 C ATOM 279 C LEU A 18 -4.868 -0.445 2.893 1.00 0.00 C ATOM 280 O LEU A 18 -5.761 0.389 2.747 1.00 0.00 O ATOM 281 CB LEU A 18 -3.107 -0.480 4.717 1.00 0.00 C ATOM 282 CG LEU A 18 -3.020 1.044 4.773 1.00 0.00 C ATOM 283 CD1 LEU A 18 -3.913 1.543 5.897 1.00 0.00 C ATOM 284 CD2 LEU A 18 -1.598 1.541 4.922 1.00 0.00 C ATOM 0 H LEU A 18 -3.573 -2.825 4.321 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.230 -0.588 4.993 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.870 -0.892 5.698 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.357 -0.859 4.023 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.370 1.448 3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.860 2.631 5.948 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.942 1.238 5.707 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.578 1.119 6.843 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.595 2.630 4.956 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.170 1.148 5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.004 1.203 4.073 1.00 0.00 H new ATOM 296 N VAL A 19 -4.250 -1.024 1.865 1.00 0.00 N ATOM 297 CA VAL A 19 -4.558 -0.724 0.447 1.00 0.00 C ATOM 298 C VAL A 19 -6.064 -1.001 0.296 1.00 0.00 C ATOM 299 O VAL A 19 -6.827 -0.207 -0.230 1.00 0.00 O ATOM 300 CB VAL A 19 -3.749 -1.693 -0.384 1.00 0.00 C ATOM 301 CG1 VAL A 19 -4.240 -1.630 -1.824 1.00 0.00 C ATOM 302 CG2 VAL A 19 -2.285 -1.268 -0.262 1.00 0.00 C ATOM 0 H VAL A 19 -3.515 -1.721 1.982 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.323 0.295 0.139 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.856 -2.723 -0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.664 -2.325 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.295 -1.902 -1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.113 -0.618 -2.208 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.660 -1.942 -0.848 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.169 -0.250 -0.634 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.980 -1.309 0.784 1.00 0.00 H new ATOM 312 N THR A 20 -6.498 -2.133 0.841 1.00 0.00 N ATOM 313 CA THR A 20 -7.844 -2.659 0.878 1.00 0.00 C ATOM 314 C THR A 20 -8.797 -1.770 1.689 1.00 0.00 C ATOM 315 O THR A 20 -9.988 -1.833 1.414 1.00 0.00 O ATOM 316 CB THR A 20 -7.657 -4.088 1.417 1.00 0.00 C ATOM 317 OG1 THR A 20 -7.345 -4.976 0.362 1.00 0.00 O ATOM 318 CG2 THR A 20 -8.632 -4.719 2.389 1.00 0.00 C ATOM 0 H THR A 20 -5.846 -2.761 1.312 1.00 0.00 H new ATOM 0 HA THR A 20 -8.336 -2.675 -0.094 1.00 0.00 H new ATOM 0 HB THR A 20 -6.831 -3.912 2.106 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.379 -5.138 0.345 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.301 -5.729 2.632 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.675 -4.122 3.300 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.622 -4.761 1.935 1.00 0.00 H new ATOM 326 N THR A 21 -8.319 -0.917 2.604 1.00 0.00 N ATOM 327 CA THR A 21 -9.019 0.115 3.365 1.00 0.00 C ATOM 328 C THR A 21 -9.281 1.324 2.460 1.00 0.00 C ATOM 329 O THR A 21 -10.261 2.034 2.649 1.00 0.00 O ATOM 330 CB THR A 21 -8.139 0.457 4.585 1.00 0.00 C ATOM 331 OG1 THR A 21 -8.684 -0.062 5.778 1.00 0.00 O ATOM 332 CG2 THR A 21 -7.782 1.939 4.726 1.00 0.00 C ATOM 0 H THR A 21 -7.330 -0.939 2.852 1.00 0.00 H new ATOM 0 HA THR A 21 -9.993 -0.222 3.720 1.00 0.00 H new ATOM 0 HB THR A 21 -7.188 -0.040 4.392 1.00 0.00 H new ATOM 0 HG1 THR A 21 -8.102 0.171 6.532 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.162 2.081 5.611 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.234 2.267 3.843 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.695 2.526 4.825 1.00 0.00 H new ATOM 340 N ILE A 22 -8.429 1.550 1.465 1.00 0.00 N ATOM 341 CA ILE A 22 -8.498 2.612 0.465 1.00 0.00 C ATOM 342 C ILE A 22 -9.421 2.150 -0.648 1.00 0.00 C ATOM 343 O ILE A 22 -10.347 2.861 -1.023 1.00 0.00 O ATOM 344 CB ILE A 22 -7.118 2.952 -0.141 1.00 0.00 C ATOM 345 CG1 ILE A 22 -5.994 2.838 0.893 1.00 0.00 C ATOM 346 CG2 ILE A 22 -7.169 4.340 -0.774 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.728 3.598 0.571 1.00 0.00 C ATOM 0 H ILE A 22 -7.613 0.953 1.326 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.867 3.513 0.954 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.889 2.221 -0.917 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.372 3.188 1.853 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.743 1.784 1.015 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.196 4.581 -1.202 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.924 4.354 -1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.423 5.078 -0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.000 3.448 1.369 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.315 3.235 -0.370 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.954 4.661 0.482 1.00 0.00 H new ATOM 359 N CYS A 23 -9.224 0.911 -1.107 1.00 0.00 N ATOM 360 CA CYS A 23 -10.210 0.214 -1.898 1.00 0.00 C ATOM 361 C CYS A 23 -11.486 0.000 -1.068 1.00 0.00 C ATOM 362 O CYS A 23 -12.458 -0.481 -1.647 1.00 0.00 O ATOM 363 CB CYS A 23 -9.660 -1.103 -2.496 1.00 0.00 C ATOM 364 SG CYS A 23 -8.018 -0.864 -3.244 1.00 0.00 S ATOM 0 H CYS A 23 -8.374 0.374 -0.934 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.465 0.835 -2.757 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.598 -1.860 -1.714 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -10.353 -1.479 -3.249 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.159 -0.557 -2.317 1.00 0.00 H new ATOM 370 N ASN A 24 -11.512 0.338 0.244 1.00 0.00 N ATOM 371 CA ASN A 24 -12.780 0.312 0.987 1.00 0.00 C ATOM 372 C ASN A 24 -13.399 1.686 1.255 1.00 0.00 C ATOM 373 O ASN A 24 -14.621 1.760 1.326 1.00 0.00 O ATOM 374 CB ASN A 24 -12.613 -0.418 2.318 1.00 0.00 C ATOM 375 CG ASN A 24 -13.309 -1.770 2.320 1.00 0.00 C ATOM 376 OD1 ASN A 24 -14.450 -1.920 2.737 1.00 0.00 O ATOM 377 ND2 ASN A 24 -12.624 -2.792 1.841 1.00 0.00 N ATOM 0 H ASN A 24 -10.697 0.621 0.788 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.469 -0.219 0.330 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -11.552 -0.557 2.524 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -13.016 0.198 3.122 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -13.045 -3.721 1.815 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.674 -2.653 1.497 1.00 0.00 H new ATOM 384 N ALA A 25 -12.586 2.733 1.471 1.00 0.00 N ATOM 385 CA ALA A 25 -12.964 3.987 2.144 1.00 0.00 C ATOM 386 C ALA A 25 -13.535 3.652 3.533 1.00 0.00 C ATOM 387 O ALA A 25 -14.448 4.301 4.030 1.00 0.00 O ATOM 388 CB ALA A 25 -13.935 4.777 1.240 1.00 0.00 C ATOM 0 H ALA A 25 -11.611 2.729 1.171 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.102 4.634 2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.218 5.706 1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.447 5.004 0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.827 4.179 1.054 1.00 0.00 H new ATOM 394 N ASP A 26 -12.858 2.708 4.196 1.00 0.00 N ATOM 395 CA ASP A 26 -12.867 2.292 5.616 1.00 0.00 C ATOM 396 C ASP A 26 -12.811 3.434 6.636 1.00 0.00 C ATOM 397 O ASP A 26 -13.048 3.307 7.833 1.00 0.00 O ATOM 398 CB ASP A 26 -11.590 1.461 5.734 1.00 0.00 C ATOM 399 CG ASP A 26 -11.027 1.231 7.150 1.00 0.00 C ATOM 400 OD1 ASP A 26 -11.589 0.419 7.908 1.00 0.00 O ATOM 401 OD2 ASP A 26 -9.921 1.781 7.414 1.00 0.00 O ATOM 0 H ASP A 26 -12.194 2.132 3.679 1.00 0.00 H new ATOM 0 HA ASP A 26 -13.801 1.779 5.846 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -11.778 0.487 5.283 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.816 1.944 5.137 1.00 0.00 H new ATOM 406 N THR A 27 -12.423 4.560 6.091 1.00 0.00 N ATOM 407 CA THR A 27 -11.851 5.702 6.738 1.00 0.00 C ATOM 408 C THR A 27 -12.833 6.794 7.153 1.00 0.00 C ATOM 409 O THR A 27 -14.053 6.671 7.032 1.00 0.00 O ATOM 410 CB THR A 27 -10.727 6.186 5.827 1.00 0.00 C ATOM 411 OG1 THR A 27 -11.183 7.101 4.856 1.00 0.00 O ATOM 412 CG2 THR A 27 -9.885 5.113 5.131 1.00 0.00 C ATOM 0 H THR A 27 -12.511 4.708 5.086 1.00 0.00 H new ATOM 0 HA THR A 27 -11.466 5.407 7.714 1.00 0.00 H new ATOM 0 HB THR A 27 -10.060 6.669 6.541 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.075 6.835 4.549 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.123 5.591 4.515 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.404 4.485 5.881 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.528 4.498 4.501 1.00 0.00 H new ATOM 420 N SER A 28 -12.257 7.926 7.574 1.00 0.00 N ATOM 421 CA SER A 28 -12.940 9.199 7.724 1.00 0.00 C ATOM 422 C SER A 28 -13.750 9.618 6.512 1.00 0.00 C ATOM 423 O SER A 28 -14.612 10.485 6.635 1.00 0.00 O ATOM 424 CB SER A 28 -11.922 10.238 8.111 1.00 0.00 C ATOM 425 OG SER A 28 -10.790 10.265 7.292 1.00 0.00 O ATOM 0 H SER A 28 -11.270 7.974 7.826 1.00 0.00 H new ATOM 0 HA SER A 28 -13.687 9.089 8.510 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.395 11.220 8.090 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.608 10.058 9.139 1.00 0.00 H new ATOM 0 HG SER A 28 -10.155 10.929 7.634 1.00 0.00 H new ATOM 431 N SER A 29 -13.412 9.013 5.373 1.00 0.00 N ATOM 432 CA SER A 29 -14.255 8.852 4.181 1.00 0.00 C ATOM 433 C SER A 29 -13.893 9.600 2.918 1.00 0.00 C ATOM 434 O SER A 29 -14.527 9.396 1.890 1.00 0.00 O ATOM 435 CB SER A 29 -15.711 8.959 4.444 1.00 0.00 C ATOM 436 OG SER A 29 -16.195 8.154 5.518 1.00 0.00 O ATOM 0 H SER A 29 -12.489 8.597 5.247 1.00 0.00 H new ATOM 0 HA SER A 29 -13.998 7.819 3.947 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.950 10.001 4.656 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.249 8.687 3.536 1.00 0.00 H new ATOM 0 HG SER A 29 -15.453 7.645 5.905 1.00 0.00 H new ATOM 442 N GLU A 30 -12.845 10.401 2.990 1.00 0.00 N ATOM 443 CA GLU A 30 -12.128 10.800 1.778 1.00 0.00 C ATOM 444 C GLU A 30 -10.696 11.250 2.087 1.00 0.00 C ATOM 445 O GLU A 30 -9.857 11.553 1.247 1.00 0.00 O ATOM 446 CB GLU A 30 -12.899 11.940 1.077 1.00 0.00 C ATOM 447 CG GLU A 30 -12.544 12.198 -0.396 1.00 0.00 C ATOM 448 CD GLU A 30 -13.006 11.076 -1.333 1.00 0.00 C ATOM 449 OE1 GLU A 30 -12.428 9.969 -1.240 1.00 0.00 O ATOM 450 OE2 GLU A 30 -13.915 11.354 -2.150 1.00 0.00 O ATOM 0 H GLU A 30 -12.471 10.786 3.857 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.066 9.933 1.120 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.965 11.720 1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.731 12.861 1.636 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -12.997 13.137 -0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -11.464 12.318 -0.487 1.00 0.00 H new ATOM 457 N GLU A 31 -10.388 11.203 3.365 1.00 0.00 N ATOM 458 CA GLU A 31 -9.343 11.957 3.983 1.00 0.00 C ATOM 459 C GLU A 31 -8.153 11.163 4.420 1.00 0.00 C ATOM 460 O GLU A 31 -7.056 11.295 3.891 1.00 0.00 O ATOM 461 CB GLU A 31 -10.104 12.607 5.066 1.00 0.00 C ATOM 462 CG GLU A 31 -9.488 13.753 5.844 1.00 0.00 C ATOM 463 CD GLU A 31 -9.812 13.677 7.346 1.00 0.00 C ATOM 464 OE1 GLU A 31 -9.757 12.549 7.898 1.00 0.00 O ATOM 465 OE2 GLU A 31 -10.105 14.739 7.936 1.00 0.00 O ATOM 0 H GLU A 31 -10.889 10.607 4.024 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.835 12.652 3.314 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.035 12.973 4.633 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.369 11.832 5.786 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.407 13.743 5.706 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.852 14.699 5.443 1.00 0.00 H new ATOM 472 N GLU A 32 -8.449 10.284 5.359 1.00 0.00 N ATOM 473 CA GLU A 32 -7.664 9.130 5.632 1.00 0.00 C ATOM 474 C GLU A 32 -7.451 8.495 4.284 1.00 0.00 C ATOM 475 O GLU A 32 -6.351 8.110 4.033 1.00 0.00 O ATOM 476 CB GLU A 32 -8.371 8.171 6.506 1.00 0.00 C ATOM 477 CG GLU A 32 -7.931 8.070 7.956 1.00 0.00 C ATOM 478 CD GLU A 32 -7.210 6.755 8.276 1.00 0.00 C ATOM 479 OE1 GLU A 32 -7.869 5.695 8.406 1.00 0.00 O ATOM 480 OE2 GLU A 32 -5.966 6.831 8.394 1.00 0.00 O ATOM 0 H GLU A 32 -9.268 10.370 5.961 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.742 9.399 6.147 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.430 8.428 6.496 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.279 7.181 6.059 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.270 8.905 8.188 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.804 8.165 8.602 1.00 0.00 H new ATOM 487 N LEU A 33 -8.432 8.436 3.389 1.00 0.00 N ATOM 488 CA LEU A 33 -8.262 7.811 2.097 1.00 0.00 C ATOM 489 C LEU A 33 -7.097 8.411 1.325 1.00 0.00 C ATOM 490 O LEU A 33 -6.168 7.684 1.007 1.00 0.00 O ATOM 491 CB LEU A 33 -9.543 7.938 1.290 1.00 0.00 C ATOM 492 CG LEU A 33 -10.462 6.779 1.679 1.00 0.00 C ATOM 493 CD1 LEU A 33 -11.859 7.329 1.902 1.00 0.00 C ATOM 494 CD2 LEU A 33 -10.381 5.759 0.536 1.00 0.00 C ATOM 0 H LEU A 33 -9.363 8.822 3.546 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.037 6.758 2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -10.028 8.893 1.492 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.325 7.910 0.222 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.172 6.284 2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.530 6.516 2.181 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.835 8.070 2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.217 7.796 0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.021 4.907 0.763 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.713 6.225 -0.392 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.351 5.419 0.424 1.00 0.00 H new ATOM 506 N VAL A 34 -7.106 9.722 1.083 1.00 0.00 N ATOM 507 CA VAL A 34 -5.998 10.464 0.473 1.00 0.00 C ATOM 508 C VAL A 34 -4.695 10.279 1.259 1.00 0.00 C ATOM 509 O VAL A 34 -3.597 10.230 0.712 1.00 0.00 O ATOM 510 CB VAL A 34 -6.417 11.922 0.334 1.00 0.00 C ATOM 511 CG1 VAL A 34 -5.281 12.949 0.203 1.00 0.00 C ATOM 512 CG2 VAL A 34 -7.359 12.087 -0.862 1.00 0.00 C ATOM 0 H VAL A 34 -7.904 10.314 1.311 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.784 10.072 -0.521 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.905 12.144 1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.704 13.949 0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.646 12.904 1.088 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.687 12.723 -0.682 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.653 13.133 -0.952 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.849 11.773 -1.773 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.247 11.473 -0.713 1.00 0.00 H new ATOM 522 N LYS A 35 -4.803 10.145 2.569 1.00 0.00 N ATOM 523 CA LYS A 35 -3.673 9.995 3.459 1.00 0.00 C ATOM 524 C LYS A 35 -3.151 8.575 3.396 1.00 0.00 C ATOM 525 O LYS A 35 -1.953 8.396 3.544 1.00 0.00 O ATOM 526 CB LYS A 35 -4.134 10.452 4.830 1.00 0.00 C ATOM 527 CG LYS A 35 -3.233 9.906 5.915 1.00 0.00 C ATOM 528 CD LYS A 35 -3.770 10.370 7.254 1.00 0.00 C ATOM 529 CE LYS A 35 -3.248 9.522 8.425 1.00 0.00 C ATOM 530 NZ LYS A 35 -3.674 8.103 8.339 1.00 0.00 N ATOM 0 H LYS A 35 -5.702 10.138 3.052 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.819 10.609 3.174 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.140 11.541 4.871 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.158 10.121 5.002 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.205 8.817 5.873 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.211 10.257 5.773 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.491 11.412 7.412 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.859 10.330 7.238 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.159 9.570 8.446 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.604 9.948 9.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.240 7.563 9.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.710 8.046 8.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.371 7.704 7.427 1.00 0.00 H new ATOM 544 N LEU A 36 -3.992 7.563 3.238 1.00 0.00 N ATOM 545 CA LEU A 36 -3.649 6.192 3.119 1.00 0.00 C ATOM 546 C LEU A 36 -3.111 5.996 1.725 1.00 0.00 C ATOM 547 O LEU A 36 -2.206 5.184 1.557 1.00 0.00 O ATOM 548 CB LEU A 36 -4.935 5.412 3.480 1.00 0.00 C ATOM 549 CG LEU A 36 -5.197 5.447 4.993 1.00 0.00 C ATOM 550 CD1 LEU A 36 -6.175 4.368 5.334 1.00 0.00 C ATOM 551 CD2 LEU A 36 -3.961 5.286 5.855 1.00 0.00 C ATOM 0 H LEU A 36 -5.000 7.712 3.189 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.865 5.828 3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.785 5.842 2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.842 4.378 3.148 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.585 6.441 5.213 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.371 4.380 6.406 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.106 4.536 4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -5.762 3.400 5.052 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.244 5.323 6.907 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.490 4.327 5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.259 6.092 5.639 1.00 0.00 H new ATOM 563 N VAL A 37 -3.592 6.798 0.769 1.00 0.00 N ATOM 564 CA VAL A 37 -3.059 6.820 -0.574 1.00 0.00 C ATOM 565 C VAL A 37 -1.582 7.184 -0.439 1.00 0.00 C ATOM 566 O VAL A 37 -0.720 6.416 -0.837 1.00 0.00 O ATOM 567 CB VAL A 37 -3.895 7.779 -1.462 1.00 0.00 C ATOM 568 CG1 VAL A 37 -3.140 8.553 -2.549 1.00 0.00 C ATOM 569 CG2 VAL A 37 -5.057 7.027 -2.109 1.00 0.00 C ATOM 0 H VAL A 37 -4.364 7.448 0.917 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.127 5.859 -1.083 1.00 0.00 H new ATOM 0 HB VAL A 37 -4.235 8.539 -0.759 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.838 9.186 -3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.373 9.175 -2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.671 7.850 -3.237 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.634 7.713 -2.729 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.668 6.219 -2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.699 6.612 -1.332 1.00 0.00 H new ATOM 579 N THR A 38 -1.296 8.289 0.238 1.00 0.00 N ATOM 580 CA THR A 38 0.017 8.889 0.384 1.00 0.00 C ATOM 581 C THR A 38 0.913 8.138 1.353 1.00 0.00 C ATOM 582 O THR A 38 2.116 8.046 1.135 1.00 0.00 O ATOM 583 CB THR A 38 -0.111 10.362 0.578 1.00 0.00 C ATOM 584 OG1 THR A 38 -0.614 10.998 -0.585 1.00 0.00 O ATOM 585 CG2 THR A 38 1.132 11.112 1.066 1.00 0.00 C ATOM 0 H THR A 38 -2.018 8.818 0.727 1.00 0.00 H new ATOM 0 HA THR A 38 0.575 8.778 -0.546 1.00 0.00 H new ATOM 0 HB THR A 38 -0.820 10.427 1.403 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.057 10.759 -1.355 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.902 12.173 1.165 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.439 10.716 2.034 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.941 10.982 0.347 1.00 0.00 H new ATOM 593 N HIS A 39 0.339 7.521 2.382 1.00 0.00 N ATOM 594 CA HIS A 39 1.047 6.559 3.190 1.00 0.00 C ATOM 595 C HIS A 39 1.481 5.398 2.307 1.00 0.00 C ATOM 596 O HIS A 39 2.572 4.893 2.518 1.00 0.00 O ATOM 597 CB HIS A 39 0.188 6.052 4.326 1.00 0.00 C ATOM 598 CG HIS A 39 0.983 5.322 5.370 1.00 0.00 C ATOM 599 ND1 HIS A 39 1.906 5.867 6.236 1.00 0.00 N ATOM 600 CD2 HIS A 39 0.872 3.994 5.661 1.00 0.00 C ATOM 601 CE1 HIS A 39 2.258 4.908 7.102 1.00 0.00 C ATOM 602 NE2 HIS A 39 1.640 3.753 6.805 1.00 0.00 N ATOM 0 H HIS A 39 -0.626 7.680 2.670 1.00 0.00 H new ATOM 0 HA HIS A 39 1.919 7.045 3.628 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -0.328 6.893 4.790 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.579 5.387 3.928 1.00 0.00 H new ATOM 0 HD1 HIS A 39 2.257 6.825 6.220 1.00 0.00 H new ATOM 0 HD2 HIS A 39 0.298 3.264 5.110 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.944 5.044 7.925 1.00 0.00 H new ATOM 610 N PHE A 40 0.686 4.973 1.312 1.00 0.00 N ATOM 611 CA PHE A 40 1.196 3.957 0.388 1.00 0.00 C ATOM 612 C PHE A 40 2.476 4.464 -0.274 1.00 0.00 C ATOM 613 O PHE A 40 3.521 3.827 -0.195 1.00 0.00 O ATOM 614 CB PHE A 40 0.181 3.511 -0.673 1.00 0.00 C ATOM 615 CG PHE A 40 0.628 2.230 -1.336 1.00 0.00 C ATOM 616 CD1 PHE A 40 1.696 2.221 -2.251 1.00 0.00 C ATOM 617 CD2 PHE A 40 0.046 1.019 -0.944 1.00 0.00 C ATOM 618 CE1 PHE A 40 2.176 1.000 -2.740 1.00 0.00 C ATOM 619 CE2 PHE A 40 0.532 -0.200 -1.439 1.00 0.00 C ATOM 620 CZ PHE A 40 1.576 -0.210 -2.358 1.00 0.00 C ATOM 0 H PHE A 40 -0.264 5.299 1.134 1.00 0.00 H new ATOM 0 HA PHE A 40 1.403 3.069 0.985 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.795 3.365 -0.211 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.065 4.293 -1.423 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.143 3.150 -2.574 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.785 1.023 -0.254 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.017 0.989 -3.418 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.096 -1.130 -1.107 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.923 -1.144 -2.775 1.00 0.00 H new ATOM 630 N GLU A 41 2.380 5.620 -0.916 1.00 0.00 N ATOM 631 CA GLU A 41 3.450 6.337 -1.601 1.00 0.00 C ATOM 632 C GLU A 41 4.728 6.435 -0.761 1.00 0.00 C ATOM 633 O GLU A 41 5.844 6.359 -1.275 1.00 0.00 O ATOM 634 CB GLU A 41 3.027 7.683 -2.157 1.00 0.00 C ATOM 635 CG GLU A 41 1.631 7.735 -2.750 1.00 0.00 C ATOM 636 CD GLU A 41 1.280 9.093 -3.361 1.00 0.00 C ATOM 637 OE1 GLU A 41 0.924 10.017 -2.591 1.00 0.00 O ATOM 638 OE2 GLU A 41 1.344 9.181 -4.611 1.00 0.00 O ATOM 0 H GLU A 41 1.491 6.117 -0.977 1.00 0.00 H new ATOM 0 HA GLU A 41 3.688 5.723 -2.470 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.092 8.423 -1.359 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.741 7.980 -2.926 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.541 6.966 -3.517 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.905 7.496 -1.973 1.00 0.00 H new ATOM 645 N GLU A 42 4.537 6.576 0.545 1.00 0.00 N ATOM 646 CA GLU A 42 5.536 6.818 1.559 1.00 0.00 C ATOM 647 C GLU A 42 6.220 5.512 1.924 1.00 0.00 C ATOM 648 O GLU A 42 7.435 5.339 1.797 1.00 0.00 O ATOM 649 CB GLU A 42 4.871 7.523 2.698 1.00 0.00 C ATOM 650 CG GLU A 42 5.591 7.864 3.998 1.00 0.00 C ATOM 651 CD GLU A 42 5.118 7.004 5.172 1.00 0.00 C ATOM 652 OE1 GLU A 42 4.118 7.405 5.818 1.00 0.00 O ATOM 653 OE2 GLU A 42 5.754 5.959 5.424 1.00 0.00 O ATOM 0 H GLU A 42 3.601 6.518 0.947 1.00 0.00 H new ATOM 0 HA GLU A 42 6.338 7.468 1.209 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.490 8.463 2.300 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.006 6.919 2.973 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.664 7.729 3.862 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.430 8.916 4.234 1.00 0.00 H new ATOM 660 N MET A 43 5.365 4.568 2.307 1.00 0.00 N ATOM 661 CA MET A 43 5.665 3.398 3.085 1.00 0.00 C ATOM 662 C MET A 43 6.809 2.603 2.494 1.00 0.00 C ATOM 663 O MET A 43 7.672 2.065 3.185 1.00 0.00 O ATOM 664 CB MET A 43 4.437 2.479 3.070 1.00 0.00 C ATOM 665 CG MET A 43 3.471 2.654 4.222 1.00 0.00 C ATOM 666 SD MET A 43 3.913 1.804 5.745 1.00 0.00 S ATOM 667 CE MET A 43 4.849 3.133 6.552 1.00 0.00 C ATOM 0 H MET A 43 4.377 4.616 2.057 1.00 0.00 H new ATOM 0 HA MET A 43 5.935 3.728 4.088 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.896 2.642 2.138 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.781 1.445 3.062 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.378 3.719 4.436 1.00 0.00 H new ATOM 0 HG3 MET A 43 2.488 2.305 3.905 1.00 0.00 H new ATOM 0 HE1 MET A 43 4.640 3.127 7.622 1.00 0.00 H new ATOM 0 HE2 MET A 43 5.916 2.977 6.390 1.00 0.00 H new ATOM 0 HE3 MET A 43 4.554 4.094 6.130 1.00 0.00 H new ATOM 677 N THR A 44 6.714 2.422 1.184 1.00 0.00 N ATOM 678 CA THR A 44 7.388 1.367 0.472 1.00 0.00 C ATOM 679 C THR A 44 8.622 1.865 -0.281 1.00 0.00 C ATOM 680 O THR A 44 9.288 1.031 -0.910 1.00 0.00 O ATOM 681 CB THR A 44 6.338 0.605 -0.368 1.00 0.00 C ATOM 682 OG1 THR A 44 6.914 -0.156 -1.400 1.00 0.00 O ATOM 683 CG2 THR A 44 5.187 1.472 -0.912 1.00 0.00 C ATOM 0 H THR A 44 6.151 3.023 0.581 1.00 0.00 H new ATOM 0 HA THR A 44 7.823 0.645 1.164 1.00 0.00 H new ATOM 0 HB THR A 44 5.885 -0.076 0.352 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.887 -0.040 -1.388 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.503 0.849 -1.488 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.650 1.928 -0.080 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.593 2.254 -1.554 1.00 0.00 H new ATOM 691 N GLU A 45 8.917 3.173 -0.266 1.00 0.00 N ATOM 692 CA GLU A 45 9.826 3.786 -1.236 1.00 0.00 C ATOM 693 C GLU A 45 9.402 3.405 -2.663 1.00 0.00 C ATOM 694 O GLU A 45 10.256 3.156 -3.513 1.00 0.00 O ATOM 695 CB GLU A 45 11.280 3.440 -0.878 1.00 0.00 C ATOM 696 CG GLU A 45 12.339 4.392 -1.464 1.00 0.00 C ATOM 697 CD GLU A 45 13.708 3.715 -1.395 1.00 0.00 C ATOM 698 OE1 GLU A 45 14.157 3.388 -0.272 1.00 0.00 O ATOM 699 OE2 GLU A 45 14.223 3.245 -2.437 1.00 0.00 O ATOM 0 H GLU A 45 8.534 3.829 0.415 1.00 0.00 H new ATOM 0 HA GLU A 45 9.766 4.874 -1.196 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.379 3.434 0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.492 2.428 -1.223 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.093 4.640 -2.497 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.353 5.329 -0.906 1.00 0.00 H new ATOM 706 N HIS A 46 8.092 3.234 -2.914 1.00 0.00 N ATOM 707 CA HIS A 46 7.686 2.683 -4.193 1.00 0.00 C ATOM 708 C HIS A 46 7.654 3.787 -5.257 1.00 0.00 C ATOM 709 O HIS A 46 6.946 4.772 -5.069 1.00 0.00 O ATOM 710 CB HIS A 46 6.354 1.928 -4.190 1.00 0.00 C ATOM 711 CG HIS A 46 6.140 1.250 -5.526 1.00 0.00 C ATOM 712 ND1 HIS A 46 5.282 1.691 -6.503 1.00 0.00 N ATOM 713 CD2 HIS A 46 6.873 0.219 -6.067 1.00 0.00 C ATOM 714 CE1 HIS A 46 5.518 0.971 -7.616 1.00 0.00 C ATOM 715 NE2 HIS A 46 6.470 0.057 -7.389 1.00 0.00 N ATOM 0 H HIS A 46 7.334 3.462 -2.271 1.00 0.00 H new ATOM 0 HA HIS A 46 8.441 1.933 -4.428 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.349 1.186 -3.392 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.535 2.619 -3.988 1.00 0.00 H new ATOM 0 HD1 HIS A 46 4.589 2.433 -6.403 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.627 -0.361 -5.556 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.011 1.111 -8.559 1.00 0.00 H new ATOM 723 N PRO A 47 8.306 3.566 -6.408 1.00 0.00 N ATOM 724 CA PRO A 47 8.129 4.311 -7.653 1.00 0.00 C ATOM 725 C PRO A 47 6.774 4.961 -7.929 1.00 0.00 C ATOM 726 O PRO A 47 6.700 6.155 -8.202 1.00 0.00 O ATOM 727 CB PRO A 47 8.400 3.264 -8.733 1.00 0.00 C ATOM 728 CG PRO A 47 9.397 2.314 -8.086 1.00 0.00 C ATOM 729 CD PRO A 47 9.256 2.479 -6.618 1.00 0.00 C ATOM 0 HA PRO A 47 8.791 5.176 -7.613 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.486 2.746 -9.024 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.810 3.718 -9.635 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.196 1.284 -8.380 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.413 2.544 -8.405 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.898 1.558 -6.158 1.00 0.00 H new ATOM 0 HD3 PRO A 47 10.218 2.712 -6.160 1.00 0.00 H new ATOM 737 N SER A 48 5.725 4.147 -7.941 1.00 0.00 N ATOM 738 CA SER A 48 4.463 4.423 -8.587 1.00 0.00 C ATOM 739 C SER A 48 3.367 4.554 -7.534 1.00 0.00 C ATOM 740 O SER A 48 2.417 3.826 -7.515 1.00 0.00 O ATOM 741 CB SER A 48 4.171 3.405 -9.707 1.00 0.00 C ATOM 742 OG SER A 48 5.340 2.890 -10.325 1.00 0.00 O ATOM 0 H SER A 48 5.739 3.238 -7.478 1.00 0.00 H new ATOM 0 HA SER A 48 4.506 5.383 -9.102 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.594 2.578 -9.293 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.548 3.880 -10.465 1.00 0.00 H new ATOM 0 HG SER A 48 5.086 2.251 -11.023 1.00 0.00 H new ATOM 748 N GLY A 49 3.550 5.416 -6.572 1.00 0.00 N ATOM 749 CA GLY A 49 2.761 5.672 -5.375 1.00 0.00 C ATOM 750 C GLY A 49 1.257 5.680 -5.650 1.00 0.00 C ATOM 751 O GLY A 49 0.584 4.675 -5.450 1.00 0.00 O ATOM 0 H GLY A 49 4.356 6.040 -6.604 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.985 4.911 -4.627 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.054 6.632 -4.950 1.00 0.00 H new ATOM 755 N SER A 50 0.727 6.789 -6.149 1.00 0.00 N ATOM 756 CA SER A 50 -0.667 6.871 -6.598 1.00 0.00 C ATOM 757 C SER A 50 -0.914 6.019 -7.858 1.00 0.00 C ATOM 758 O SER A 50 -2.055 5.822 -8.294 1.00 0.00 O ATOM 759 CB SER A 50 -1.001 8.337 -6.892 1.00 0.00 C ATOM 760 OG SER A 50 -1.028 9.104 -5.703 1.00 0.00 O ATOM 0 H SER A 50 1.247 7.660 -6.256 1.00 0.00 H new ATOM 0 HA SER A 50 -1.309 6.480 -5.808 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.262 8.751 -7.578 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.968 8.399 -7.390 1.00 0.00 H new ATOM 0 HG SER A 50 -0.123 9.418 -5.496 1.00 0.00 H new ATOM 766 N ASP A 51 0.146 5.452 -8.426 1.00 0.00 N ATOM 767 CA ASP A 51 0.257 4.988 -9.780 1.00 0.00 C ATOM 768 C ASP A 51 0.314 3.466 -9.707 1.00 0.00 C ATOM 769 O ASP A 51 0.431 2.822 -10.743 1.00 0.00 O ATOM 770 CB ASP A 51 1.511 5.549 -10.456 1.00 0.00 C ATOM 771 CG ASP A 51 1.480 7.016 -10.913 1.00 0.00 C ATOM 772 OD1 ASP A 51 1.029 7.895 -10.140 1.00 0.00 O ATOM 773 OD2 ASP A 51 1.990 7.270 -12.027 1.00 0.00 O ATOM 0 H ASP A 51 1.007 5.300 -7.901 1.00 0.00 H new ATOM 0 HA ASP A 51 -0.590 5.324 -10.378 1.00 0.00 H new ATOM 0 HB2 ASP A 51 2.346 5.430 -9.765 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.728 4.931 -11.327 1.00 0.00 H new ATOM 778 N LEU A 52 0.238 2.865 -8.505 1.00 0.00 N ATOM 779 CA LEU A 52 -0.169 1.493 -8.365 1.00 0.00 C ATOM 780 C LEU A 52 -1.278 1.497 -7.365 1.00 0.00 C ATOM 781 O LEU A 52 -1.256 0.694 -6.447 1.00 0.00 O ATOM 782 CB LEU A 52 0.908 0.520 -7.941 1.00 0.00 C ATOM 783 CG LEU A 52 2.042 0.938 -7.048 1.00 0.00 C ATOM 784 CD1 LEU A 52 1.629 1.569 -5.738 1.00 0.00 C ATOM 785 CD2 LEU A 52 2.797 -0.323 -6.758 1.00 0.00 C ATOM 0 H LEU A 52 0.459 3.329 -7.624 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.461 1.131 -9.351 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.406 -0.311 -7.446 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.354 0.125 -8.854 1.00 0.00 H new ATOM 0 HG LEU A 52 2.617 1.709 -7.560 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.518 1.835 -5.166 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.042 2.466 -5.935 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.029 0.861 -5.167 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.644 -0.099 -6.109 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.138 -1.036 -6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.160 -0.753 -7.692 1.00 0.00 H new ATOM 797 N ILE A 53 -2.200 2.445 -7.449 1.00 0.00 N ATOM 798 CA ILE A 53 -3.319 2.402 -6.568 1.00 0.00 C ATOM 799 C ILE A 53 -4.594 2.396 -7.404 1.00 0.00 C ATOM 800 O ILE A 53 -5.458 1.563 -7.142 1.00 0.00 O ATOM 801 CB ILE A 53 -3.091 3.396 -5.435 1.00 0.00 C ATOM 802 CG1 ILE A 53 -1.945 2.840 -4.544 1.00 0.00 C ATOM 803 CG2 ILE A 53 -4.383 3.541 -4.648 1.00 0.00 C ATOM 804 CD1 ILE A 53 -2.273 1.625 -3.736 1.00 0.00 C ATOM 0 H ILE A 53 -2.184 3.226 -8.105 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.452 1.484 -5.995 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.809 4.380 -5.809 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.094 2.607 -5.184 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.625 3.629 -3.863 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.235 4.250 -3.833 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.171 3.905 -5.307 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.670 2.572 -4.239 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.400 1.328 -3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.099 1.849 -3.061 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.559 0.811 -4.402 1.00 0.00 H new ATOM 816 N TYR A 54 -4.671 3.197 -8.480 1.00 0.00 N ATOM 817 CA TYR A 54 -5.764 3.055 -9.452 1.00 0.00 C ATOM 818 C TYR A 54 -5.394 3.394 -10.907 1.00 0.00 C ATOM 819 O TYR A 54 -6.228 3.261 -11.809 1.00 0.00 O ATOM 820 CB TYR A 54 -6.985 3.878 -9.029 1.00 0.00 C ATOM 821 CG TYR A 54 -7.070 4.327 -7.574 1.00 0.00 C ATOM 822 CD1 TYR A 54 -6.434 5.513 -7.154 1.00 0.00 C ATOM 823 CD2 TYR A 54 -7.702 3.514 -6.612 1.00 0.00 C ATOM 824 CE1 TYR A 54 -6.505 5.905 -5.804 1.00 0.00 C ATOM 825 CE2 TYR A 54 -7.910 3.979 -5.303 1.00 0.00 C ATOM 826 CZ TYR A 54 -7.340 5.207 -4.906 1.00 0.00 C ATOM 827 OH TYR A 54 -7.495 5.667 -3.640 1.00 0.00 O ATOM 0 H TYR A 54 -4.002 3.936 -8.695 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.997 1.990 -9.442 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.023 4.768 -9.657 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.877 3.293 -9.252 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.894 6.119 -7.866 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.030 2.522 -6.884 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.919 6.742 -5.455 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -8.501 3.402 -4.607 1.00 0.00 H new ATOM 0 HH TYR A 54 -8.450 5.717 -3.425 1.00 0.00 H new ATOM 837 N TYR A 55 -4.169 3.859 -11.169 1.00 0.00 N ATOM 838 CA TYR A 55 -3.621 3.877 -12.520 1.00 0.00 C ATOM 839 C TYR A 55 -3.533 2.478 -13.136 1.00 0.00 C ATOM 840 O TYR A 55 -3.954 2.345 -14.288 1.00 0.00 O ATOM 841 CB TYR A 55 -2.240 4.528 -12.595 1.00 0.00 C ATOM 842 CG TYR A 55 -2.128 6.029 -12.397 1.00 0.00 C ATOM 843 CD1 TYR A 55 -2.698 6.676 -11.279 1.00 0.00 C ATOM 844 CD2 TYR A 55 -1.248 6.742 -13.234 1.00 0.00 C ATOM 845 CE1 TYR A 55 -2.305 7.980 -10.940 1.00 0.00 C ATOM 846 CE2 TYR A 55 -0.862 8.050 -12.907 1.00 0.00 C ATOM 847 CZ TYR A 55 -1.343 8.647 -11.725 1.00 0.00 C ATOM 848 OH TYR A 55 -0.716 9.742 -11.230 1.00 0.00 O ATOM 0 H TYR A 55 -3.539 4.229 -10.457 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.326 4.480 -13.093 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.608 4.048 -11.848 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -1.816 4.291 -13.571 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.439 6.165 -10.682 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.868 6.279 -14.133 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -2.738 8.471 -10.081 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.198 8.598 -13.559 1.00 0.00 H new ATOM 0 HH TYR A 55 0.056 9.463 -10.695 1.00 0.00 H new ATOM 858 N PRO A 56 -3.030 1.447 -12.436 1.00 0.00 N ATOM 859 CA PRO A 56 -3.007 0.087 -12.946 1.00 0.00 C ATOM 860 C PRO A 56 -4.389 -0.461 -13.062 1.00 0.00 C ATOM 861 O PRO A 56 -5.332 0.195 -12.606 1.00 0.00 O ATOM 862 CB PRO A 56 -2.092 -0.689 -12.001 1.00 0.00 C ATOM 863 CG PRO A 56 -2.532 -0.047 -10.698 1.00 0.00 C ATOM 864 CD PRO A 56 -2.506 1.411 -11.084 1.00 0.00 C ATOM 0 HA PRO A 56 -2.616 0.018 -13.961 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.270 -1.764 -12.026 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.034 -0.536 -12.214 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.524 -0.376 -10.389 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.852 -0.270 -9.876 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.116 2.010 -10.408 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.494 1.813 -11.041 1.00 0.00 H new ATOM 872 N LYS A 57 -4.420 -1.588 -13.794 1.00 0.00 N ATOM 873 CA LYS A 57 -5.526 -2.296 -14.425 1.00 0.00 C ATOM 874 C LYS A 57 -5.283 -2.787 -15.829 1.00 0.00 C ATOM 875 O LYS A 57 -5.998 -3.627 -16.367 1.00 0.00 O ATOM 876 CB LYS A 57 -6.740 -1.472 -14.421 1.00 0.00 C ATOM 877 CG LYS A 57 -6.713 -0.216 -15.278 1.00 0.00 C ATOM 878 CD LYS A 57 -7.835 0.580 -14.647 1.00 0.00 C ATOM 879 CE LYS A 57 -7.792 2.022 -15.141 1.00 0.00 C ATOM 880 NZ LYS A 57 -6.639 2.719 -14.533 1.00 0.00 N ATOM 0 H LYS A 57 -3.546 -2.082 -13.975 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.641 -3.189 -13.811 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.574 -2.092 -14.751 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.949 -1.178 -13.392 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.756 0.302 -15.222 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -6.899 -0.430 -16.331 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -8.796 0.130 -14.896 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.743 0.556 -13.561 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.711 2.043 -16.228 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -8.718 2.534 -14.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -6.649 3.720 -14.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.700 2.652 -13.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.755 2.276 -14.857 1.00 0.00 H new ATOM 894 N GLU A 58 -4.255 -2.224 -16.434 1.00 0.00 N ATOM 895 CA GLU A 58 -4.116 -2.189 -17.889 1.00 0.00 C ATOM 896 C GLU A 58 -3.540 -3.407 -18.588 1.00 0.00 C ATOM 897 O GLU A 58 -3.139 -3.446 -19.752 1.00 0.00 O ATOM 898 CB GLU A 58 -3.397 -0.950 -18.261 1.00 0.00 C ATOM 899 CG GLU A 58 -3.887 -0.423 -19.614 1.00 0.00 C ATOM 900 CD GLU A 58 -5.020 0.621 -19.514 1.00 0.00 C ATOM 901 OE1 GLU A 58 -5.772 0.610 -18.508 1.00 0.00 O ATOM 902 OE2 GLU A 58 -5.159 1.415 -20.474 1.00 0.00 O ATOM 0 H GLU A 58 -3.487 -1.775 -15.935 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.139 -2.203 -18.265 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.549 -0.191 -17.493 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -2.326 -1.146 -18.308 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.045 0.021 -20.145 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.235 -1.264 -20.214 1.00 0.00 H new ATOM 909 N GLY A 59 -3.532 -4.418 -17.780 1.00 0.00 N ATOM 910 CA GLY A 59 -2.687 -5.559 -17.907 1.00 0.00 C ATOM 911 C GLY A 59 -1.702 -5.448 -16.732 1.00 0.00 C ATOM 912 O GLY A 59 -0.855 -6.322 -16.570 1.00 0.00 O ATOM 0 H GLY A 59 -4.149 -4.471 -16.970 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.261 -6.484 -17.857 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.164 -5.560 -18.863 1.00 0.00 H new ATOM 916 N ASP A 60 -1.819 -4.366 -15.936 1.00 0.00 N ATOM 917 CA ASP A 60 -0.937 -3.987 -14.855 1.00 0.00 C ATOM 918 C ASP A 60 -1.680 -4.281 -13.572 1.00 0.00 C ATOM 919 O ASP A 60 -2.809 -3.837 -13.386 1.00 0.00 O ATOM 920 CB ASP A 60 -0.545 -2.502 -14.961 1.00 0.00 C ATOM 921 CG ASP A 60 0.941 -2.339 -15.299 1.00 0.00 C ATOM 922 OD1 ASP A 60 1.772 -2.910 -14.560 1.00 0.00 O ATOM 923 OD2 ASP A 60 1.232 -1.655 -16.306 1.00 0.00 O ATOM 0 H ASP A 60 -2.586 -3.703 -16.053 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.003 -4.547 -14.891 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -1.149 -2.018 -15.728 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.763 -1.998 -14.019 1.00 0.00 H new ATOM 928 N ASP A 61 -1.038 -5.114 -12.777 1.00 0.00 N ATOM 929 CA ASP A 61 -1.490 -5.773 -11.551 1.00 0.00 C ATOM 930 C ASP A 61 -1.963 -4.776 -10.477 1.00 0.00 C ATOM 931 O ASP A 61 -1.162 -4.088 -9.838 1.00 0.00 O ATOM 932 CB ASP A 61 -0.472 -6.788 -11.065 1.00 0.00 C ATOM 933 CG ASP A 61 -0.974 -7.848 -10.070 1.00 0.00 C ATOM 934 OD1 ASP A 61 -2.187 -8.158 -10.070 1.00 0.00 O ATOM 935 OD2 ASP A 61 -0.133 -8.406 -9.321 1.00 0.00 O ATOM 0 H ASP A 61 -0.077 -5.380 -12.993 1.00 0.00 H new ATOM 0 HA ASP A 61 -2.386 -6.345 -11.791 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -0.064 -7.304 -11.934 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.352 -6.247 -10.599 1.00 0.00 H new ATOM 940 N ASP A 62 -3.278 -4.646 -10.303 1.00 0.00 N ATOM 941 CA ASP A 62 -3.943 -3.503 -9.661 1.00 0.00 C ATOM 942 C ASP A 62 -5.087 -3.900 -8.724 1.00 0.00 C ATOM 943 O ASP A 62 -5.688 -3.036 -8.078 1.00 0.00 O ATOM 944 CB ASP A 62 -4.768 -2.766 -10.723 1.00 0.00 C ATOM 945 CG ASP A 62 -5.982 -3.570 -11.267 1.00 0.00 C ATOM 946 OD1 ASP A 62 -5.839 -4.800 -11.492 1.00 0.00 O ATOM 947 OD2 ASP A 62 -7.069 -2.975 -11.429 1.00 0.00 O ATOM 0 H ASP A 62 -3.938 -5.358 -10.616 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.138 -2.965 -9.161 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.129 -1.829 -10.299 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.116 -2.508 -11.557 1.00 0.00 H new ATOM 952 N SER A 63 -5.493 -5.173 -8.690 1.00 0.00 N ATOM 953 CA SER A 63 -6.566 -5.539 -7.773 1.00 0.00 C ATOM 954 C SER A 63 -6.068 -5.181 -6.367 1.00 0.00 C ATOM 955 O SER A 63 -4.851 -5.093 -6.204 1.00 0.00 O ATOM 956 CB SER A 63 -6.898 -7.016 -7.923 1.00 0.00 C ATOM 957 OG SER A 63 -7.293 -7.296 -9.254 1.00 0.00 O ATOM 0 H SER A 63 -5.115 -5.931 -9.258 1.00 0.00 H new ATOM 0 HA SER A 63 -7.493 -5.004 -7.981 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.030 -7.620 -7.659 1.00 0.00 H new ATOM 0 HB3 SER A 63 -7.697 -7.288 -7.234 1.00 0.00 H new ATOM 0 HG SER A 63 -7.503 -8.250 -9.339 1.00 0.00 H new ATOM 963 N PRO A 64 -6.916 -5.026 -5.333 1.00 0.00 N ATOM 964 CA PRO A 64 -6.535 -4.477 -4.027 1.00 0.00 C ATOM 965 C PRO A 64 -5.353 -5.141 -3.324 1.00 0.00 C ATOM 966 O PRO A 64 -4.875 -4.668 -2.304 1.00 0.00 O ATOM 967 CB PRO A 64 -7.781 -4.631 -3.179 1.00 0.00 C ATOM 968 CG PRO A 64 -8.897 -4.403 -4.196 1.00 0.00 C ATOM 969 CD PRO A 64 -8.348 -5.241 -5.347 1.00 0.00 C ATOM 0 HA PRO A 64 -6.189 -3.454 -4.173 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.843 -5.619 -2.722 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.814 -3.903 -2.369 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.866 -4.756 -3.843 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.017 -3.352 -4.460 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.588 -6.296 -5.214 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -8.782 -4.933 -6.298 1.00 0.00 H new ATOM 977 N SER A 65 -4.966 -6.271 -3.880 1.00 0.00 N ATOM 978 CA SER A 65 -3.853 -7.162 -3.790 1.00 0.00 C ATOM 979 C SER A 65 -2.735 -6.970 -4.780 1.00 0.00 C ATOM 980 O SER A 65 -1.634 -6.709 -4.333 1.00 0.00 O ATOM 981 CB SER A 65 -4.472 -8.538 -3.883 1.00 0.00 C ATOM 982 OG SER A 65 -5.425 -8.642 -4.939 1.00 0.00 O ATOM 0 H SER A 65 -5.601 -6.662 -4.576 1.00 0.00 H new ATOM 0 HA SER A 65 -3.321 -6.972 -2.858 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.685 -9.277 -4.035 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.956 -8.779 -2.937 1.00 0.00 H new ATOM 0 HG SER A 65 -6.323 -8.467 -4.588 1.00 0.00 H new ATOM 988 N GLY A 66 -2.972 -7.157 -6.061 1.00 0.00 N ATOM 989 CA GLY A 66 -2.123 -6.995 -7.199 1.00 0.00 C ATOM 990 C GLY A 66 -1.401 -5.675 -7.169 1.00 0.00 C ATOM 991 O GLY A 66 -0.219 -5.646 -7.458 1.00 0.00 O ATOM 0 H GLY A 66 -3.897 -7.470 -6.356 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.396 -7.807 -7.230 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.718 -7.064 -8.110 1.00 0.00 H new ATOM 995 N ILE A 67 -2.026 -4.606 -6.680 1.00 0.00 N ATOM 996 CA ILE A 67 -1.276 -3.386 -6.458 1.00 0.00 C ATOM 997 C ILE A 67 -0.215 -3.505 -5.395 1.00 0.00 C ATOM 998 O ILE A 67 0.937 -3.090 -5.543 1.00 0.00 O ATOM 999 CB ILE A 67 -2.157 -2.175 -6.116 1.00 0.00 C ATOM 1000 CG1 ILE A 67 -3.235 -2.476 -5.081 1.00 0.00 C ATOM 1001 CG2 ILE A 67 -2.795 -1.522 -7.311 1.00 0.00 C ATOM 1002 CD1 ILE A 67 -4.463 -1.542 -5.044 1.00 0.00 C ATOM 0 H ILE A 67 -3.016 -4.564 -6.439 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.795 -3.221 -7.422 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.445 -1.471 -5.684 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.590 -3.493 -5.250 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.770 -2.460 -4.095 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.400 -0.676 -6.984 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -2.019 -1.171 -7.992 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.429 -2.244 -7.825 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.148 -1.872 -4.263 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.139 -0.523 -4.836 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.971 -1.571 -6.008 1.00 0.00 H new ATOM 1014 N VAL A 68 -0.588 -4.131 -4.302 1.00 0.00 N ATOM 1015 CA VAL A 68 0.343 -4.327 -3.196 1.00 0.00 C ATOM 1016 C VAL A 68 1.362 -5.378 -3.592 1.00 0.00 C ATOM 1017 O VAL A 68 2.472 -5.490 -3.072 1.00 0.00 O ATOM 1018 CB VAL A 68 -0.490 -4.765 -1.992 1.00 0.00 C ATOM 1019 CG1 VAL A 68 0.250 -4.506 -0.683 1.00 0.00 C ATOM 1020 CG2 VAL A 68 -1.790 -3.989 -1.937 1.00 0.00 C ATOM 0 H VAL A 68 -1.521 -4.514 -4.148 1.00 0.00 H new ATOM 0 HA VAL A 68 0.892 -3.419 -2.947 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.679 -5.832 -2.109 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.369 -4.828 0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.187 -5.064 -0.678 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.461 -3.441 -0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.371 -4.313 -1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.575 -2.924 -1.850 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.361 -4.171 -2.848 1.00 0.00 H new ATOM 1030 N ASN A 69 0.945 -6.154 -4.560 1.00 0.00 N ATOM 1031 CA ASN A 69 1.709 -7.061 -5.373 1.00 0.00 C ATOM 1032 C ASN A 69 2.632 -6.384 -6.327 1.00 0.00 C ATOM 1033 O ASN A 69 3.709 -6.920 -6.511 1.00 0.00 O ATOM 1034 CB ASN A 69 0.846 -8.058 -6.042 1.00 0.00 C ATOM 1035 CG ASN A 69 0.772 -9.420 -5.370 1.00 0.00 C ATOM 1036 OD1 ASN A 69 1.538 -9.765 -4.464 1.00 0.00 O ATOM 1037 ND2 ASN A 69 -0.258 -10.164 -5.713 1.00 0.00 N ATOM 0 H ASN A 69 -0.040 -6.166 -4.824 1.00 0.00 H new ATOM 0 HA ASN A 69 2.358 -7.599 -4.682 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.163 -7.651 -6.110 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.204 -8.195 -7.062 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -0.436 -11.044 -5.228 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.878 -9.861 -6.464 1.00 0.00 H new ATOM 1044 N THR A 70 2.321 -5.222 -6.865 1.00 0.00 N ATOM 1045 CA THR A 70 3.203 -4.626 -7.831 1.00 0.00 C ATOM 1046 C THR A 70 4.419 -4.115 -7.072 1.00 0.00 C ATOM 1047 O THR A 70 5.579 -4.282 -7.459 1.00 0.00 O ATOM 1048 CB THR A 70 2.483 -3.499 -8.568 1.00 0.00 C ATOM 1049 OG1 THR A 70 1.561 -4.118 -9.431 1.00 0.00 O ATOM 1050 CG2 THR A 70 3.395 -2.658 -9.470 1.00 0.00 C ATOM 0 H THR A 70 1.480 -4.685 -6.652 1.00 0.00 H new ATOM 0 HA THR A 70 3.516 -5.348 -8.585 1.00 0.00 H new ATOM 0 HB THR A 70 2.053 -2.839 -7.815 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.654 -3.821 -9.208 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.808 -1.880 -9.957 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.178 -2.198 -8.868 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.848 -3.298 -10.227 1.00 0.00 H new ATOM 1058 N VAL A 71 4.145 -3.601 -5.876 1.00 0.00 N ATOM 1059 CA VAL A 71 5.153 -3.325 -4.902 1.00 0.00 C ATOM 1060 C VAL A 71 5.904 -4.578 -4.618 1.00 0.00 C ATOM 1061 O VAL A 71 7.118 -4.532 -4.592 1.00 0.00 O ATOM 1062 CB VAL A 71 4.524 -2.772 -3.631 1.00 0.00 C ATOM 1063 CG1 VAL A 71 5.497 -2.709 -2.511 1.00 0.00 C ATOM 1064 CG2 VAL A 71 4.166 -1.363 -3.934 1.00 0.00 C ATOM 0 H VAL A 71 3.201 -3.368 -5.569 1.00 0.00 H new ATOM 0 HA VAL A 71 5.841 -2.572 -5.287 1.00 0.00 H new ATOM 0 HB VAL A 71 3.687 -3.407 -3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.006 -2.309 -1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.871 -3.710 -2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.329 -2.062 -2.788 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.707 -0.907 -3.056 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.065 -0.809 -4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.462 -1.337 -4.766 1.00 0.00 H new ATOM 1074 N LYS A 72 5.224 -5.693 -4.413 1.00 0.00 N ATOM 1075 CA LYS A 72 5.915 -6.963 -4.176 1.00 0.00 C ATOM 1076 C LYS A 72 6.830 -7.473 -5.259 1.00 0.00 C ATOM 1077 O LYS A 72 7.325 -8.586 -5.169 1.00 0.00 O ATOM 1078 CB LYS A 72 4.901 -8.052 -3.915 1.00 0.00 C ATOM 1079 CG LYS A 72 5.254 -8.509 -2.533 1.00 0.00 C ATOM 1080 CD LYS A 72 4.669 -7.452 -1.606 1.00 0.00 C ATOM 1081 CE LYS A 72 3.399 -7.998 -0.963 1.00 0.00 C ATOM 1082 NZ LYS A 72 2.319 -8.363 -1.921 1.00 0.00 N ATOM 0 H LYS A 72 4.206 -5.753 -4.404 1.00 0.00 H new ATOM 0 HA LYS A 72 6.558 -6.732 -3.327 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.880 -7.675 -3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.980 -8.861 -4.641 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.835 -9.493 -2.324 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.334 -8.590 -2.408 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.394 -7.184 -0.837 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.446 -6.543 -2.165 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.656 -8.879 -0.375 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.012 -7.253 -0.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.438 -8.545 -1.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.169 -7.581 -2.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.594 -9.219 -2.445 1.00 0.00 H new ATOM 1096 N GLN A 73 6.989 -6.673 -6.279 1.00 0.00 N ATOM 1097 CA GLN A 73 7.732 -6.866 -7.469 1.00 0.00 C ATOM 1098 C GLN A 73 8.823 -5.818 -7.565 1.00 0.00 C ATOM 1099 O GLN A 73 9.982 -6.180 -7.692 1.00 0.00 O ATOM 1100 CB GLN A 73 6.828 -7.091 -8.693 1.00 0.00 C ATOM 1101 CG GLN A 73 5.922 -8.265 -8.306 1.00 0.00 C ATOM 1102 CD GLN A 73 4.907 -8.725 -9.339 1.00 0.00 C ATOM 1103 OE1 GLN A 73 5.256 -9.313 -10.355 1.00 0.00 O ATOM 1104 NE2 GLN A 73 3.638 -8.501 -9.029 1.00 0.00 N ATOM 0 H GLN A 73 6.538 -5.758 -6.282 1.00 0.00 H new ATOM 0 HA GLN A 73 8.276 -7.810 -7.443 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.243 -6.200 -8.921 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.416 -7.322 -9.581 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.557 -9.114 -8.054 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.382 -7.991 -7.400 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.403 -8.006 -8.169 1.00 0.00 H new ATOM 0 HE22 GLN A 73 2.897 -8.824 -9.650 1.00 0.00 H new ATOM 1113 N TRP A 74 8.525 -4.549 -7.306 1.00 0.00 N ATOM 1114 CA TRP A 74 9.523 -3.524 -7.055 1.00 0.00 C ATOM 1115 C TRP A 74 10.311 -3.855 -5.792 1.00 0.00 C ATOM 1116 O TRP A 74 11.484 -4.186 -5.852 1.00 0.00 O ATOM 1117 CB TRP A 74 8.965 -2.137 -6.988 1.00 0.00 C ATOM 1118 CG TRP A 74 10.078 -1.161 -7.224 1.00 0.00 C ATOM 1119 CD1 TRP A 74 10.492 -0.769 -8.440 1.00 0.00 C ATOM 1120 CD2 TRP A 74 10.941 -0.456 -6.294 1.00 0.00 C ATOM 1121 NE1 TRP A 74 11.594 0.048 -8.352 1.00 0.00 N ATOM 1122 CE2 TRP A 74 11.867 0.341 -7.040 1.00 0.00 C ATOM 1123 CE3 TRP A 74 10.963 -0.329 -4.899 1.00 0.00 C ATOM 1124 CZ2 TRP A 74 12.749 1.248 -6.440 1.00 0.00 C ATOM 1125 CZ3 TRP A 74 11.821 0.599 -4.305 1.00 0.00 C ATOM 1126 CH2 TRP A 74 12.713 1.387 -5.047 1.00 0.00 C ATOM 0 H TRP A 74 7.567 -4.202 -7.265 1.00 0.00 H new ATOM 0 HA TRP A 74 10.191 -3.529 -7.916 1.00 0.00 H new ATOM 0 HB2 TRP A 74 8.183 -2.007 -7.736 1.00 0.00 H new ATOM 0 HB3 TRP A 74 8.507 -1.960 -6.015 1.00 0.00 H new ATOM 0 HD1 TRP A 74 10.020 -1.058 -9.367 1.00 0.00 H new ATOM 0 HE1 TRP A 74 12.132 0.388 -9.149 1.00 0.00 H new ATOM 0 HE3 TRP A 74 10.321 -0.945 -4.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 13.440 1.826 -7.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 11.797 0.715 -3.231 1.00 0.00 H new ATOM 0 HH2 TRP A 74 13.364 2.092 -4.551 1.00 0.00 H new ATOM 1137 N ARG A 75 9.666 -3.862 -4.627 1.00 0.00 N ATOM 1138 CA ARG A 75 10.217 -4.277 -3.343 1.00 0.00 C ATOM 1139 C ARG A 75 10.673 -5.734 -3.319 1.00 0.00 C ATOM 1140 O ARG A 75 11.144 -6.174 -2.274 1.00 0.00 O ATOM 1141 CB ARG A 75 9.146 -4.115 -2.213 1.00 0.00 C ATOM 1142 CG ARG A 75 8.940 -2.680 -1.679 1.00 0.00 C ATOM 1143 CD ARG A 75 8.492 -2.587 -0.219 1.00 0.00 C ATOM 1144 NE ARG A 75 7.094 -2.944 -0.121 1.00 0.00 N ATOM 1145 CZ ARG A 75 6.523 -3.971 0.501 1.00 0.00 C ATOM 1146 NH1 ARG A 75 7.187 -4.762 1.340 1.00 0.00 N ATOM 1147 NH2 ARG A 75 5.236 -4.178 0.267 1.00 0.00 N ATOM 0 H ARG A 75 8.694 -3.562 -4.552 1.00 0.00 H new ATOM 0 HA ARG A 75 11.083 -3.635 -3.181 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.191 -4.483 -2.589 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.428 -4.756 -1.378 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.874 -2.130 -1.792 1.00 0.00 H new ATOM 0 HG3 ARG A 75 8.199 -2.180 -2.303 1.00 0.00 H new ATOM 0 HD2 ARG A 75 9.093 -3.253 0.400 1.00 0.00 H new ATOM 0 HD3 ARG A 75 8.647 -1.576 0.157 1.00 0.00 H new ATOM 0 HE ARG A 75 6.450 -2.314 -0.600 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.175 -4.591 1.528 1.00 0.00 H new ATOM 0 HH12 ARG A 75 6.708 -5.539 1.795 1.00 0.00 H new ATOM 0 HH21 ARG A 75 4.727 -3.562 -0.367 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.753 -4.954 0.721 1.00 0.00 H new ATOM 1161 N ALA A 76 10.566 -6.472 -4.418 1.00 0.00 N ATOM 1162 CA ALA A 76 11.189 -7.782 -4.546 1.00 0.00 C ATOM 1163 C ALA A 76 12.349 -7.839 -5.512 1.00 0.00 C ATOM 1164 O ALA A 76 13.265 -8.636 -5.339 1.00 0.00 O ATOM 1165 CB ALA A 76 10.145 -8.827 -4.883 1.00 0.00 C ATOM 0 H ALA A 76 10.045 -6.178 -5.244 1.00 0.00 H new ATOM 0 HA ALA A 76 11.628 -7.999 -3.572 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.623 -9.802 -4.976 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.398 -8.863 -4.090 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.662 -8.568 -5.825 1.00 0.00 H new ATOM 1171 N ALA A 77 12.339 -6.940 -6.475 1.00 0.00 N ATOM 1172 CA ALA A 77 13.354 -6.864 -7.518 1.00 0.00 C ATOM 1173 C ALA A 77 14.474 -5.938 -7.109 1.00 0.00 C ATOM 1174 O ALA A 77 15.655 -6.213 -7.284 1.00 0.00 O ATOM 1175 CB ALA A 77 12.726 -6.370 -8.825 1.00 0.00 C ATOM 0 H ALA A 77 11.615 -6.227 -6.560 1.00 0.00 H new ATOM 0 HA ALA A 77 13.766 -7.862 -7.669 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.492 -6.316 -9.599 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.943 -7.061 -9.137 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.296 -5.380 -8.671 1.00 0.00 H new ATOM 1181 N ASN A 78 14.056 -4.847 -6.491 1.00 0.00 N ATOM 1182 CA ASN A 78 14.855 -3.999 -5.654 1.00 0.00 C ATOM 1183 C ASN A 78 15.176 -4.671 -4.324 1.00 0.00 C ATOM 1184 O ASN A 78 16.037 -4.249 -3.564 1.00 0.00 O ATOM 1185 CB ASN A 78 14.048 -2.718 -5.471 1.00 0.00 C ATOM 1186 CG ASN A 78 14.980 -1.530 -5.253 1.00 0.00 C ATOM 1187 OD1 ASN A 78 15.538 -1.334 -4.183 1.00 0.00 O ATOM 1188 ND2 ASN A 78 15.194 -0.718 -6.271 1.00 0.00 N ATOM 0 H ASN A 78 13.093 -4.519 -6.571 1.00 0.00 H new ATOM 0 HA ASN A 78 15.824 -3.787 -6.107 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.426 -2.544 -6.349 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.376 -2.822 -4.619 1.00 0.00 H new ATOM 0 HD21 ASN A 78 15.826 0.075 -6.166 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.727 -0.884 -7.163 1.00 0.00 H new ATOM 1195 N GLY A 79 14.449 -5.749 -4.063 1.00 0.00 N ATOM 1196 CA GLY A 79 14.681 -6.679 -2.967 1.00 0.00 C ATOM 1197 C GLY A 79 14.326 -6.055 -1.626 1.00 0.00 C ATOM 1198 O GLY A 79 14.764 -6.556 -0.590 1.00 0.00 O ATOM 0 H GLY A 79 13.646 -6.010 -4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.086 -7.580 -3.120 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.727 -6.985 -2.962 1.00 0.00 H new ATOM 1202 N LYS A 80 13.543 -4.964 -1.658 1.00 0.00 N ATOM 1203 CA LYS A 80 13.306 -4.060 -0.507 1.00 0.00 C ATOM 1204 C LYS A 80 13.103 -4.798 0.809 1.00 0.00 C ATOM 1205 O LYS A 80 13.641 -4.455 1.855 1.00 0.00 O ATOM 1206 CB LYS A 80 12.200 -3.044 -0.682 1.00 0.00 C ATOM 1207 CG LYS A 80 12.415 -2.335 -1.999 1.00 0.00 C ATOM 1208 CD LYS A 80 13.339 -1.272 -2.138 1.00 0.00 C ATOM 1209 CE LYS A 80 13.005 -0.076 -1.309 1.00 0.00 C ATOM 1210 NZ LYS A 80 14.130 0.871 -1.181 1.00 0.00 N ATOM 0 H LYS A 80 13.044 -4.675 -2.499 1.00 0.00 H new ATOM 0 HA LYS A 80 14.240 -3.500 -0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.227 -3.535 -0.669 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.207 -2.329 0.140 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.702 -3.098 -2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.444 -1.950 -2.310 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.332 -1.627 -1.864 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.384 -0.976 -3.186 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.153 0.439 -1.752 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.699 -0.404 -0.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.952 1.516 -0.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 15.010 0.344 -1.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.222 1.421 -2.059 1.00 0.00 H new ATOM 1224 N SER A 81 12.265 -5.814 0.690 1.00 0.00 N ATOM 1225 CA SER A 81 11.691 -6.646 1.694 1.00 0.00 C ATOM 1226 C SER A 81 10.834 -5.743 2.549 1.00 0.00 C ATOM 1227 O SER A 81 9.903 -5.090 2.068 1.00 0.00 O ATOM 1228 CB SER A 81 12.738 -7.537 2.281 1.00 0.00 C ATOM 1229 OG SER A 81 13.474 -8.241 1.296 1.00 0.00 O ATOM 0 H SER A 81 11.941 -6.096 -0.235 1.00 0.00 H new ATOM 0 HA SER A 81 10.990 -7.412 1.362 1.00 0.00 H new ATOM 0 HB2 SER A 81 13.423 -6.939 2.881 1.00 0.00 H new ATOM 0 HB3 SER A 81 12.265 -8.252 2.954 1.00 0.00 H new ATOM 0 HG SER A 81 13.967 -7.604 0.738 1.00 0.00 H new ATOM 1235 N GLY A 82 11.213 -5.698 3.798 1.00 0.00 N ATOM 1236 CA GLY A 82 10.878 -4.619 4.694 1.00 0.00 C ATOM 1237 C GLY A 82 9.509 -4.629 5.301 1.00 0.00 C ATOM 1238 O GLY A 82 9.107 -3.620 5.852 1.00 0.00 O ATOM 0 H GLY A 82 11.777 -6.428 4.233 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.606 -4.616 5.505 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.000 -3.681 4.152 1.00 0.00 H new ATOM 1242 N PHE A 83 8.796 -5.727 5.167 1.00 0.00 N ATOM 1243 CA PHE A 83 7.723 -6.040 6.042 1.00 0.00 C ATOM 1244 C PHE A 83 8.276 -6.897 7.176 1.00 0.00 C ATOM 1245 O PHE A 83 9.414 -7.365 7.225 1.00 0.00 O ATOM 1246 CB PHE A 83 6.651 -6.876 5.345 1.00 0.00 C ATOM 1247 CG PHE A 83 5.797 -6.260 4.304 1.00 0.00 C ATOM 1248 CD1 PHE A 83 5.041 -5.125 4.616 1.00 0.00 C ATOM 1249 CD2 PHE A 83 5.514 -6.995 3.153 1.00 0.00 C ATOM 1250 CE1 PHE A 83 4.131 -4.645 3.686 1.00 0.00 C ATOM 1251 CE2 PHE A 83 4.595 -6.517 2.220 1.00 0.00 C ATOM 1252 CZ PHE A 83 3.882 -5.333 2.485 1.00 0.00 C ATOM 0 H PHE A 83 8.958 -6.422 4.438 1.00 0.00 H new ATOM 0 HA PHE A 83 7.284 -5.104 6.389 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.151 -7.732 4.891 1.00 0.00 H new ATOM 0 HB3 PHE A 83 5.990 -7.267 6.118 1.00 0.00 H new ATOM 0 HD1 PHE A 83 5.164 -4.630 5.568 1.00 0.00 H new ATOM 0 HD2 PHE A 83 6.009 -7.940 2.984 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.603 -3.725 3.888 1.00 0.00 H new ATOM 0 HE2 PHE A 83 4.431 -7.053 1.297 1.00 0.00 H new ATOM 0 HZ PHE A 83 3.156 -4.959 1.778 1.00 0.00 H new ATOM 1262 N LYS A 84 7.297 -7.142 8.008 1.00 0.00 N ATOM 1263 CA LYS A 84 6.997 -8.105 8.999 1.00 0.00 C ATOM 1264 C LYS A 84 6.451 -9.338 8.295 1.00 0.00 C ATOM 1265 O LYS A 84 6.373 -9.448 7.074 1.00 0.00 O ATOM 1266 CB LYS A 84 6.134 -7.397 9.999 1.00 0.00 C ATOM 1267 CG LYS A 84 6.027 -8.023 11.389 1.00 0.00 C ATOM 1268 CD LYS A 84 5.555 -6.922 12.334 1.00 0.00 C ATOM 1269 CE LYS A 84 4.591 -7.405 13.422 1.00 0.00 C ATOM 1270 NZ LYS A 84 5.170 -8.465 14.269 1.00 0.00 N ATOM 0 H LYS A 84 6.511 -6.493 7.975 1.00 0.00 H new ATOM 0 HA LYS A 84 7.834 -8.502 9.574 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.512 -6.381 10.113 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.129 -7.319 9.584 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.324 -8.856 11.385 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.990 -8.420 11.709 1.00 0.00 H new ATOM 0 HD2 LYS A 84 6.425 -6.468 12.809 1.00 0.00 H new ATOM 0 HD3 LYS A 84 5.066 -6.142 11.751 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.306 -6.560 14.049 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.679 -7.777 12.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.407 -9.059 14.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.812 -9.052 13.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.699 -8.033 15.053 1.00 0.00 H new ATOM 1284 N GLN A 85 6.046 -10.268 9.117 1.00 0.00 N ATOM 1285 CA GLN A 85 5.485 -11.564 8.754 1.00 0.00 C ATOM 1286 C GLN A 85 4.298 -11.912 9.619 1.00 0.00 C ATOM 1287 O GLN A 85 3.199 -12.132 9.115 1.00 0.00 O ATOM 1288 CB GLN A 85 6.511 -12.634 8.637 1.00 0.00 C ATOM 1289 CG GLN A 85 6.614 -13.383 7.299 1.00 0.00 C ATOM 1290 CD GLN A 85 5.563 -14.482 7.093 1.00 0.00 C ATOM 1291 OE1 GLN A 85 5.906 -15.605 6.749 1.00 0.00 O ATOM 1292 NE2 GLN A 85 4.277 -14.228 7.292 1.00 0.00 N ATOM 0 H GLN A 85 6.098 -10.143 10.128 1.00 0.00 H new ATOM 0 HA GLN A 85 5.092 -11.480 7.741 1.00 0.00 H new ATOM 0 HB2 GLN A 85 7.484 -12.190 8.848 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.319 -13.369 9.419 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.528 -12.661 6.487 1.00 0.00 H new ATOM 0 HG3 GLN A 85 7.605 -13.830 7.224 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.980 -13.295 7.579 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.585 -14.965 7.158 1.00 0.00 H new ATOM 1301 N GLY A 86 4.574 -11.903 10.909 1.00 0.00 N ATOM 1302 CA GLY A 86 3.672 -11.881 12.033 1.00 0.00 C ATOM 1303 C GLY A 86 4.400 -11.127 13.135 1.00 0.00 C ATOM 1304 O GLY A 86 5.597 -10.798 12.938 1.00 0.00 O ATOM 1305 OXT GLY A 86 3.766 -10.749 14.138 1.00 0.00 O ATOM 0 H GLY A 86 5.544 -11.912 11.223 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.736 -11.386 11.773 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.420 -12.892 12.352 1.00 0.00 H new