USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 617 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 X(o=0.044,f=0) USER MOD Set 1.2: A 73 GLN : amide:sc= 0.0438 X(o=0.044,f=0) USER MOD Set 2.1: A 46 HIS : no HD1:sc= -6.78! C(o=-6.8!,f=-7.5!) USER MOD Set 2.2: A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -177:sc= 1.27 (180deg=1.23) USER MOD Single : A 5 HIS : no HD1:sc= -0.484 X(o=-0.48,f=-0.49) USER MOD Single : A 6 SER OG : rot 162:sc= 0.207 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 80:sc= 1.66 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0.193 X(o=0.19,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -46:sc= 1.25 USER MOD Single : A 23 CYS SG : rot 70:sc= -0.173 USER MOD Single : A 24 ASN : amide:sc= 0.217 X(o=0.22,f=-0.11) USER MOD Single : A 27 THR OG1 : rot 140:sc= 0.181 USER MOD Single : A 28 SER OG : rot 178:sc= 0.155 USER MOD Single : A 29 SER OG : rot 5:sc= 0.232 USER MOD Single : A 35 LYS NZ :NH3+ -138:sc= 0.662 (180deg=-0.686!) USER MOD Single : A 38 THR OG1 : rot 22:sc= 1.05 USER MOD Single : A 39 HIS : no HE2:sc= -8.03! C(o=-8!,f=-12!) USER MOD Single : A 43 MET CE :methyl 157:sc= -0.482 (180deg=-0.72) USER MOD Single : A 44 THR OG1 : rot -112:sc= -0.578 USER MOD Single : A 50 SER OG : rot 77:sc= 1.26 USER MOD Single : A 54 TYR OH : rot -15:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -134:sc= -1.21 (180deg=-2.82!) USER MOD Single : A 63 SER OG : rot 86:sc= 1.26 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 32:sc= 0.443 USER MOD Single : A 72 LYS NZ :NH3+ 178:sc= -2.86! (180deg=-2.97!) USER MOD Single : A 78 ASN : amide:sc= 0.0443 K(o=0.044,f=-0.64) USER MOD Single : A 80 LYS NZ :NH3+ 145:sc= -0.681! (180deg=-3.83!) USER MOD Single : A 81 SER OG : rot -150:sc= 0.438 USER MOD Single : A 84 LYS NZ :NH3+ -154:sc= 1.05 (180deg=-0.866!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD ----------------------------------------------------------------- ATOM 35 N LEU A 3 -1.664 1.127 10.948 1.00 0.00 N ATOM 36 CA LEU A 3 -0.896 1.554 9.834 1.00 0.00 C ATOM 37 C LEU A 3 0.522 1.203 10.243 1.00 0.00 C ATOM 38 O LEU A 3 0.663 0.050 10.626 1.00 0.00 O ATOM 39 CB LEU A 3 -1.209 3.033 9.748 1.00 0.00 C ATOM 40 CG LEU A 3 -2.140 3.313 8.570 1.00 0.00 C ATOM 41 CD1 LEU A 3 -2.779 4.668 8.931 1.00 0.00 C ATOM 42 CD2 LEU A 3 -1.335 3.083 7.267 1.00 0.00 C ATOM 0 HA LEU A 3 -1.080 1.117 8.853 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.675 3.367 10.675 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.286 3.600 9.633 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.991 2.661 8.374 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -3.472 4.965 8.144 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -3.319 4.576 9.873 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.999 5.423 9.032 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -1.974 3.276 6.406 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.480 3.759 7.243 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -0.983 2.052 7.234 1.00 0.00 H new ATOM 54 N LYS A 4 1.506 2.120 10.243 1.00 0.00 N ATOM 55 CA LYS A 4 2.843 2.014 10.852 1.00 0.00 C ATOM 56 C LYS A 4 3.770 3.140 10.451 1.00 0.00 C ATOM 57 O LYS A 4 3.409 4.032 9.694 1.00 0.00 O ATOM 58 CB LYS A 4 3.471 0.656 10.606 1.00 0.00 C ATOM 59 CG LYS A 4 3.697 -0.029 11.944 1.00 0.00 C ATOM 60 CD LYS A 4 2.468 -0.404 12.740 1.00 0.00 C ATOM 61 CE LYS A 4 2.757 -0.881 14.152 1.00 0.00 C ATOM 62 NZ LYS A 4 2.956 -2.331 14.233 1.00 0.00 N ATOM 0 H LYS A 4 1.377 3.021 9.783 1.00 0.00 H new ATOM 0 HA LYS A 4 2.690 2.115 11.927 1.00 0.00 H new ATOM 0 HB2 LYS A 4 2.821 0.048 9.976 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.416 0.768 10.075 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.275 -0.936 11.767 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.313 0.626 12.560 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.805 0.460 12.790 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.930 -1.188 12.207 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.647 -0.375 14.526 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.931 -0.595 14.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 3.099 -2.607 15.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.118 -2.818 13.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.792 -2.598 13.675 1.00 0.00 H new ATOM 76 N HIS A 5 4.949 3.091 11.064 1.00 0.00 N ATOM 77 CA HIS A 5 6.061 4.020 10.900 1.00 0.00 C ATOM 78 C HIS A 5 6.954 3.649 9.744 1.00 0.00 C ATOM 79 O HIS A 5 7.714 4.443 9.210 1.00 0.00 O ATOM 80 CB HIS A 5 6.908 4.063 12.179 1.00 0.00 C ATOM 81 CG HIS A 5 6.251 3.448 13.388 1.00 0.00 C ATOM 82 ND1 HIS A 5 5.154 3.923 14.074 1.00 0.00 N ATOM 83 CD2 HIS A 5 6.460 2.154 13.768 1.00 0.00 C ATOM 84 CE1 HIS A 5 4.710 2.924 14.858 1.00 0.00 C ATOM 85 NE2 HIS A 5 5.464 1.825 14.697 1.00 0.00 N ATOM 0 H HIS A 5 5.167 2.352 11.733 1.00 0.00 H new ATOM 0 HA HIS A 5 5.624 4.998 10.696 1.00 0.00 H new ATOM 0 HB2 HIS A 5 7.850 3.548 11.992 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.151 5.102 12.403 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.248 1.504 13.417 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.864 2.996 15.525 1.00 0.00 H new ATOM 0 HE2 HIS A 5 5.337 0.925 15.161 1.00 0.00 H new ATOM 93 N SER A 6 6.847 2.385 9.429 1.00 0.00 N ATOM 94 CA SER A 6 7.589 1.609 8.525 1.00 0.00 C ATOM 95 C SER A 6 6.654 0.690 7.809 1.00 0.00 C ATOM 96 O SER A 6 5.663 0.208 8.346 1.00 0.00 O ATOM 97 CB SER A 6 8.600 0.778 9.282 1.00 0.00 C ATOM 98 OG SER A 6 8.313 0.713 10.680 1.00 0.00 O ATOM 0 H SER A 6 6.129 1.816 9.877 1.00 0.00 H new ATOM 0 HA SER A 6 8.105 2.259 7.818 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.618 -0.231 8.870 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.595 1.200 9.137 1.00 0.00 H new ATOM 0 HG SER A 6 8.800 -0.038 11.079 1.00 0.00 H new ATOM 104 N ILE A 7 7.144 0.236 6.682 1.00 0.00 N ATOM 105 CA ILE A 7 6.587 -0.929 6.050 1.00 0.00 C ATOM 106 C ILE A 7 6.725 -2.223 6.852 1.00 0.00 C ATOM 107 O ILE A 7 6.345 -3.294 6.399 1.00 0.00 O ATOM 108 CB ILE A 7 7.282 -1.038 4.700 1.00 0.00 C ATOM 109 CG1 ILE A 7 6.239 -1.567 3.739 1.00 0.00 C ATOM 110 CG2 ILE A 7 8.587 -1.867 4.719 1.00 0.00 C ATOM 111 CD1 ILE A 7 6.827 -1.657 2.366 1.00 0.00 C ATOM 0 H ILE A 7 7.928 0.658 6.185 1.00 0.00 H new ATOM 0 HA ILE A 7 5.508 -0.805 5.961 1.00 0.00 H new ATOM 0 HB ILE A 7 7.644 -0.060 4.383 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.894 -2.549 4.064 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.369 -0.910 3.732 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.016 -1.893 3.717 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.298 -1.410 5.407 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.368 -2.883 5.046 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.077 -2.038 1.673 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.150 -0.667 2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.683 -2.331 2.380 1.00 0.00 H new ATOM 123 N SER A 8 7.374 -2.161 7.999 1.00 0.00 N ATOM 124 CA SER A 8 7.968 -3.285 8.631 1.00 0.00 C ATOM 125 C SER A 8 7.740 -3.317 10.104 1.00 0.00 C ATOM 126 O SER A 8 8.022 -4.350 10.710 1.00 0.00 O ATOM 127 CB SER A 8 9.390 -3.260 8.207 1.00 0.00 C ATOM 128 OG SER A 8 10.387 -3.050 9.181 1.00 0.00 O ATOM 0 H SER A 8 7.497 -1.292 8.519 1.00 0.00 H new ATOM 0 HA SER A 8 7.507 -4.224 8.324 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.604 -4.209 7.715 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.496 -2.480 7.453 1.00 0.00 H new ATOM 0 HG SER A 8 11.269 -3.061 8.754 1.00 0.00 H new ATOM 134 N ASP A 9 7.223 -2.220 10.672 1.00 0.00 N ATOM 135 CA ASP A 9 6.578 -2.450 11.950 1.00 0.00 C ATOM 136 C ASP A 9 5.234 -3.097 11.689 1.00 0.00 C ATOM 137 O ASP A 9 4.672 -3.681 12.621 1.00 0.00 O ATOM 138 CB ASP A 9 6.453 -1.176 12.797 1.00 0.00 C ATOM 139 CG ASP A 9 7.687 -1.085 13.689 1.00 0.00 C ATOM 140 OD1 ASP A 9 8.698 -0.523 13.208 1.00 0.00 O ATOM 141 OD2 ASP A 9 7.614 -1.656 14.799 1.00 0.00 O ATOM 0 H ASP A 9 7.235 -1.267 10.310 1.00 0.00 H new ATOM 0 HA ASP A 9 7.201 -3.117 12.546 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.379 -0.297 12.156 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.546 -1.207 13.401 1.00 0.00 H new ATOM 146 N TYR A 10 4.704 -3.007 10.456 1.00 0.00 N ATOM 147 CA TYR A 10 3.459 -3.702 10.142 1.00 0.00 C ATOM 148 C TYR A 10 3.849 -4.892 9.265 1.00 0.00 C ATOM 149 O TYR A 10 5.007 -4.985 8.853 1.00 0.00 O ATOM 150 CB TYR A 10 2.361 -2.790 9.565 1.00 0.00 C ATOM 151 CG TYR A 10 2.442 -2.207 8.169 1.00 0.00 C ATOM 152 CD1 TYR A 10 3.406 -2.618 7.243 1.00 0.00 C ATOM 153 CD2 TYR A 10 1.495 -1.241 7.770 1.00 0.00 C ATOM 154 CE1 TYR A 10 3.494 -2.014 6.000 1.00 0.00 C ATOM 155 CE2 TYR A 10 1.613 -0.586 6.531 1.00 0.00 C ATOM 156 CZ TYR A 10 2.675 -0.930 5.668 1.00 0.00 C ATOM 157 OH TYR A 10 2.943 -0.282 4.510 1.00 0.00 O ATOM 0 H TYR A 10 5.109 -2.475 9.686 1.00 0.00 H new ATOM 0 HA TYR A 10 2.971 -4.060 11.048 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.429 -3.353 9.615 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.262 -1.948 10.250 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.089 -3.414 7.500 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.669 -1.001 8.424 1.00 0.00 H new ATOM 0 HE1 TYR A 10 4.205 -2.385 5.277 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.899 0.172 6.243 1.00 0.00 H new ATOM 0 HH TYR A 10 2.571 -0.789 3.758 1.00 0.00 H new ATOM 167 N THR A 11 2.926 -5.782 8.933 1.00 0.00 N ATOM 168 CA THR A 11 3.198 -6.943 8.093 1.00 0.00 C ATOM 169 C THR A 11 2.656 -6.704 6.688 1.00 0.00 C ATOM 170 O THR A 11 2.101 -5.655 6.357 1.00 0.00 O ATOM 171 CB THR A 11 2.632 -8.222 8.766 1.00 0.00 C ATOM 172 OG1 THR A 11 1.310 -8.503 8.348 1.00 0.00 O ATOM 173 CG2 THR A 11 2.634 -8.227 10.298 1.00 0.00 C ATOM 0 H THR A 11 1.956 -5.719 9.242 1.00 0.00 H new ATOM 0 HA THR A 11 4.272 -7.095 7.989 1.00 0.00 H new ATOM 0 HB THR A 11 3.332 -8.988 8.432 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.992 -9.316 8.793 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.218 -9.167 10.659 1.00 0.00 H new ATOM 0 HG22 THR A 11 3.656 -8.120 10.661 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.030 -7.398 10.665 1.00 0.00 H new ATOM 181 N GLU A 12 2.838 -7.689 5.826 1.00 0.00 N ATOM 182 CA GLU A 12 2.540 -7.528 4.424 1.00 0.00 C ATOM 183 C GLU A 12 1.042 -7.543 4.105 1.00 0.00 C ATOM 184 O GLU A 12 0.595 -6.892 3.160 1.00 0.00 O ATOM 185 CB GLU A 12 3.306 -8.627 3.696 1.00 0.00 C ATOM 186 CG GLU A 12 3.658 -8.056 2.343 1.00 0.00 C ATOM 187 CD GLU A 12 4.525 -9.011 1.530 1.00 0.00 C ATOM 188 OE1 GLU A 12 3.991 -10.068 1.137 1.00 0.00 O ATOM 189 OE2 GLU A 12 5.666 -8.612 1.212 1.00 0.00 O ATOM 0 H GLU A 12 3.193 -8.611 6.080 1.00 0.00 H new ATOM 0 HA GLU A 12 2.856 -6.540 4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.203 -8.909 4.247 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.698 -9.526 3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.743 -7.838 1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.184 -7.110 2.474 1.00 0.00 H new ATOM 196 N ALA A 13 0.266 -8.249 4.924 1.00 0.00 N ATOM 197 CA ALA A 13 -1.190 -8.302 4.861 1.00 0.00 C ATOM 198 C ALA A 13 -1.762 -7.100 5.594 1.00 0.00 C ATOM 199 O ALA A 13 -2.817 -6.597 5.234 1.00 0.00 O ATOM 200 CB ALA A 13 -1.692 -9.604 5.493 1.00 0.00 C ATOM 0 H ALA A 13 0.649 -8.820 5.677 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.516 -8.277 3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.780 -9.637 5.443 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.278 -10.455 4.952 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.376 -9.648 6.535 1.00 0.00 H new ATOM 206 N GLU A 14 -1.020 -6.604 6.574 1.00 0.00 N ATOM 207 CA GLU A 14 -1.248 -5.355 7.258 1.00 0.00 C ATOM 208 C GLU A 14 -1.347 -4.176 6.314 1.00 0.00 C ATOM 209 O GLU A 14 -2.253 -3.350 6.403 1.00 0.00 O ATOM 210 CB GLU A 14 -0.130 -5.169 8.236 1.00 0.00 C ATOM 211 CG GLU A 14 -0.795 -4.812 9.560 1.00 0.00 C ATOM 212 CD GLU A 14 -1.911 -5.707 10.112 1.00 0.00 C ATOM 213 OE1 GLU A 14 -1.655 -6.907 10.322 1.00 0.00 O ATOM 214 OE2 GLU A 14 -3.022 -5.151 10.289 1.00 0.00 O ATOM 0 H GLU A 14 -0.199 -7.096 6.927 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.210 -5.398 7.768 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.464 -6.078 8.329 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.546 -4.378 7.912 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.011 -4.764 10.316 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.203 -3.806 9.459 1.00 0.00 H new ATOM 221 N PHE A 15 -0.396 -4.116 5.395 1.00 0.00 N ATOM 222 CA PHE A 15 -0.382 -3.090 4.386 1.00 0.00 C ATOM 223 C PHE A 15 -1.404 -3.369 3.316 1.00 0.00 C ATOM 224 O PHE A 15 -1.989 -2.449 2.755 1.00 0.00 O ATOM 225 CB PHE A 15 0.968 -3.110 3.712 1.00 0.00 C ATOM 226 CG PHE A 15 1.225 -1.979 2.741 1.00 0.00 C ATOM 227 CD1 PHE A 15 0.617 -0.714 2.894 1.00 0.00 C ATOM 228 CD2 PHE A 15 2.180 -2.178 1.734 1.00 0.00 C ATOM 229 CE1 PHE A 15 1.059 0.367 2.125 1.00 0.00 C ATOM 230 CE2 PHE A 15 2.624 -1.100 0.963 1.00 0.00 C ATOM 231 CZ PHE A 15 2.091 0.176 1.195 1.00 0.00 C ATOM 0 H PHE A 15 0.379 -4.776 5.335 1.00 0.00 H new ATOM 0 HA PHE A 15 -0.598 -2.135 4.864 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.740 -3.088 4.481 1.00 0.00 H new ATOM 0 HB3 PHE A 15 1.075 -4.055 3.179 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -0.187 -0.582 3.603 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.574 -3.167 1.553 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.609 1.341 2.246 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.370 -1.248 0.196 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.481 1.023 0.650 1.00 0.00 H new ATOM 241 N LEU A 16 -1.602 -4.649 3.016 1.00 0.00 N ATOM 242 CA LEU A 16 -2.521 -5.004 1.950 1.00 0.00 C ATOM 243 C LEU A 16 -3.924 -4.582 2.330 1.00 0.00 C ATOM 244 O LEU A 16 -4.702 -4.117 1.518 1.00 0.00 O ATOM 245 CB LEU A 16 -2.439 -6.503 1.758 1.00 0.00 C ATOM 246 CG LEU A 16 -3.288 -7.112 0.630 1.00 0.00 C ATOM 247 CD1 LEU A 16 -3.433 -6.271 -0.625 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.628 -8.411 0.116 1.00 0.00 C ATOM 0 H LEU A 16 -1.151 -5.435 3.483 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.261 -4.498 1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.397 -6.764 1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.728 -6.980 2.694 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.264 -7.233 1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.051 -6.801 -1.349 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.903 -5.320 -0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.449 -6.086 -1.055 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.235 -8.836 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.632 -8.187 -0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.550 -9.128 0.934 1.00 0.00 H new ATOM 260 N GLN A 17 -4.218 -4.686 3.609 1.00 0.00 N ATOM 261 CA GLN A 17 -5.408 -4.289 4.240 1.00 0.00 C ATOM 262 C GLN A 17 -5.557 -2.799 4.131 1.00 0.00 C ATOM 263 O GLN A 17 -6.648 -2.289 3.950 1.00 0.00 O ATOM 264 CB GLN A 17 -5.313 -4.775 5.691 1.00 0.00 C ATOM 265 CG GLN A 17 -6.146 -4.033 6.734 1.00 0.00 C ATOM 266 CD GLN A 17 -5.692 -4.343 8.167 1.00 0.00 C ATOM 267 OE1 GLN A 17 -5.812 -3.510 9.058 1.00 0.00 O ATOM 268 NE2 GLN A 17 -5.083 -5.492 8.429 1.00 0.00 N ATOM 0 H GLN A 17 -3.555 -5.090 4.271 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.295 -4.719 3.775 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.601 -5.826 5.714 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.268 -4.725 5.996 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.075 -2.960 6.557 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.195 -4.306 6.620 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.978 -6.192 7.695 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.720 -5.675 9.365 1.00 0.00 H new ATOM 277 N LEU A 18 -4.452 -2.090 4.252 1.00 0.00 N ATOM 278 CA LEU A 18 -4.519 -0.674 4.193 1.00 0.00 C ATOM 279 C LEU A 18 -4.971 -0.236 2.796 1.00 0.00 C ATOM 280 O LEU A 18 -5.954 0.485 2.630 1.00 0.00 O ATOM 281 CB LEU A 18 -3.218 -0.103 4.667 1.00 0.00 C ATOM 282 CG LEU A 18 -3.524 1.360 4.993 1.00 0.00 C ATOM 283 CD1 LEU A 18 -3.392 2.234 3.744 1.00 0.00 C ATOM 284 CD2 LEU A 18 -4.680 1.593 5.979 1.00 0.00 C ATOM 0 H LEU A 18 -3.519 -2.479 4.389 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.275 -0.271 4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.850 -0.634 5.545 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.448 -0.184 3.899 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.742 1.752 5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.614 3.270 4.000 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.375 2.166 3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.093 1.890 2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.811 2.663 6.139 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.598 1.172 5.569 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.451 1.109 6.929 1.00 0.00 H new ATOM 296 N VAL A 19 -4.299 -0.788 1.788 1.00 0.00 N ATOM 297 CA VAL A 19 -4.616 -0.604 0.369 1.00 0.00 C ATOM 298 C VAL A 19 -6.111 -0.973 0.208 1.00 0.00 C ATOM 299 O VAL A 19 -6.864 -0.240 -0.418 1.00 0.00 O ATOM 300 CB VAL A 19 -3.715 -1.528 -0.418 1.00 0.00 C ATOM 301 CG1 VAL A 19 -4.163 -1.464 -1.866 1.00 0.00 C ATOM 302 CG2 VAL A 19 -2.260 -1.054 -0.265 1.00 0.00 C ATOM 0 H VAL A 19 -3.493 -1.395 1.938 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.456 0.413 0.011 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.774 -2.556 -0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.536 -2.119 -2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.202 -1.786 -1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.074 -0.440 -2.229 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.601 -1.714 -0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.167 -0.037 -0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.979 -1.075 0.788 1.00 0.00 H new ATOM 312 N THR A 20 -6.567 -2.077 0.819 1.00 0.00 N ATOM 313 CA THR A 20 -7.928 -2.590 0.709 1.00 0.00 C ATOM 314 C THR A 20 -8.937 -1.661 1.393 1.00 0.00 C ATOM 315 O THR A 20 -10.070 -1.607 0.936 1.00 0.00 O ATOM 316 CB THR A 20 -7.979 -4.063 1.209 1.00 0.00 C ATOM 317 OG1 THR A 20 -8.626 -4.876 0.251 1.00 0.00 O ATOM 318 CG2 THR A 20 -8.650 -4.378 2.544 1.00 0.00 C ATOM 0 H THR A 20 -5.975 -2.650 1.420 1.00 0.00 H new ATOM 0 HA THR A 20 -8.229 -2.604 -0.339 1.00 0.00 H new ATOM 0 HB THR A 20 -6.919 -4.265 1.362 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.653 -5.802 0.572 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.594 -5.450 2.735 1.00 0.00 H new ATOM 0 HG22 THR A 20 -8.140 -3.840 3.343 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.695 -4.070 2.508 1.00 0.00 H new ATOM 326 N THR A 21 -8.551 -0.907 2.422 1.00 0.00 N ATOM 327 CA THR A 21 -9.312 0.167 3.046 1.00 0.00 C ATOM 328 C THR A 21 -9.460 1.351 2.073 1.00 0.00 C ATOM 329 O THR A 21 -10.442 2.078 2.155 1.00 0.00 O ATOM 330 CB THR A 21 -8.565 0.550 4.344 1.00 0.00 C ATOM 331 OG1 THR A 21 -9.029 -0.147 5.488 1.00 0.00 O ATOM 332 CG2 THR A 21 -8.411 2.059 4.576 1.00 0.00 C ATOM 0 H THR A 21 -7.643 -1.041 2.867 1.00 0.00 H new ATOM 0 HA THR A 21 -10.327 -0.145 3.292 1.00 0.00 H new ATOM 0 HB THR A 21 -7.547 0.200 4.174 1.00 0.00 H new ATOM 0 HG1 THR A 21 -10.009 -0.138 5.501 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.875 2.231 5.510 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.852 2.499 3.750 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.397 2.521 4.633 1.00 0.00 H new ATOM 340 N ILE A 22 -8.525 1.565 1.146 1.00 0.00 N ATOM 341 CA ILE A 22 -8.522 2.650 0.160 1.00 0.00 C ATOM 342 C ILE A 22 -9.360 2.223 -1.032 1.00 0.00 C ATOM 343 O ILE A 22 -10.275 2.937 -1.432 1.00 0.00 O ATOM 344 CB ILE A 22 -7.113 3.031 -0.340 1.00 0.00 C ATOM 345 CG1 ILE A 22 -6.056 2.876 0.753 1.00 0.00 C ATOM 346 CG2 ILE A 22 -7.149 4.460 -0.890 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.781 3.649 0.509 1.00 0.00 C ATOM 0 H ILE A 22 -7.710 0.958 1.057 1.00 0.00 H new ATOM 0 HA ILE A 22 -8.930 3.530 0.656 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.826 2.346 -1.137 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.484 3.197 1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.811 1.819 0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.157 4.738 -1.246 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.859 4.514 -1.715 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.457 5.146 -0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.089 3.480 1.334 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.324 3.313 -0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.008 4.713 0.438 1.00 0.00 H new ATOM 359 N CYS A 23 -9.112 1.006 -1.525 1.00 0.00 N ATOM 360 CA CYS A 23 -10.033 0.289 -2.383 1.00 0.00 C ATOM 361 C CYS A 23 -11.375 0.072 -1.671 1.00 0.00 C ATOM 362 O CYS A 23 -12.291 -0.411 -2.336 1.00 0.00 O ATOM 363 CB CYS A 23 -9.414 -1.029 -2.903 1.00 0.00 C ATOM 364 SG CYS A 23 -7.740 -0.741 -3.553 1.00 0.00 S ATOM 0 H CYS A 23 -8.252 0.493 -1.331 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.231 0.900 -3.264 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -9.375 -1.761 -2.097 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -10.046 -1.449 -3.685 1.00 0.00 H new ATOM 0 HG CYS A 23 -6.934 -0.469 -2.570 1.00 0.00 H new ATOM 369 N ASN A 24 -11.513 0.440 -0.378 1.00 0.00 N ATOM 370 CA ASN A 24 -12.855 0.466 0.250 1.00 0.00 C ATOM 371 C ASN A 24 -13.373 1.856 0.681 1.00 0.00 C ATOM 372 O ASN A 24 -14.568 1.976 0.933 1.00 0.00 O ATOM 373 CB ASN A 24 -12.976 -0.612 1.346 1.00 0.00 C ATOM 374 CG ASN A 24 -14.420 -0.826 1.808 1.00 0.00 C ATOM 375 OD1 ASN A 24 -15.280 -1.183 1.009 1.00 0.00 O ATOM 376 ND2 ASN A 24 -14.737 -0.707 3.089 1.00 0.00 N ATOM 0 H ASN A 24 -10.744 0.714 0.233 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.550 0.207 -0.549 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -12.576 -1.553 0.969 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -12.364 -0.325 2.201 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.687 -0.911 3.401 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -14.031 -0.411 3.764 1.00 0.00 H new ATOM 383 N ALA A 25 -12.544 2.919 0.733 1.00 0.00 N ATOM 384 CA ALA A 25 -12.893 4.270 1.236 1.00 0.00 C ATOM 385 C ALA A 25 -13.560 4.212 2.614 1.00 0.00 C ATOM 386 O ALA A 25 -14.241 5.140 3.041 1.00 0.00 O ATOM 387 CB ALA A 25 -13.754 4.973 0.167 1.00 0.00 C ATOM 0 H ALA A 25 -11.577 2.861 0.415 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.989 4.858 1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.024 5.970 0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.188 5.053 -0.761 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.660 4.393 -0.010 1.00 0.00 H new ATOM 393 N ASP A 26 -13.176 3.173 3.347 1.00 0.00 N ATOM 394 CA ASP A 26 -13.413 2.604 4.688 1.00 0.00 C ATOM 395 C ASP A 26 -13.112 3.534 5.866 1.00 0.00 C ATOM 396 O ASP A 26 -12.939 3.162 7.022 1.00 0.00 O ATOM 397 CB ASP A 26 -12.436 1.460 4.673 1.00 0.00 C ATOM 398 CG ASP A 26 -12.622 0.360 5.698 1.00 0.00 C ATOM 399 OD1 ASP A 26 -13.734 -0.216 5.709 1.00 0.00 O ATOM 400 OD2 ASP A 26 -11.585 -0.035 6.272 1.00 0.00 O ATOM 0 H ASP A 26 -12.515 2.546 2.888 1.00 0.00 H new ATOM 0 HA ASP A 26 -14.464 2.361 4.844 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -12.468 1.005 3.683 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -11.435 1.872 4.802 1.00 0.00 H new ATOM 405 N THR A 27 -12.979 4.780 5.482 1.00 0.00 N ATOM 406 CA THR A 27 -12.305 5.870 6.138 1.00 0.00 C ATOM 407 C THR A 27 -13.221 7.019 6.550 1.00 0.00 C ATOM 408 O THR A 27 -14.449 6.944 6.463 1.00 0.00 O ATOM 409 CB THR A 27 -11.175 6.293 5.199 1.00 0.00 C ATOM 410 OG1 THR A 27 -11.694 7.063 4.143 1.00 0.00 O ATOM 411 CG2 THR A 27 -10.299 5.184 4.625 1.00 0.00 C ATOM 0 H THR A 27 -13.389 5.088 4.600 1.00 0.00 H new ATOM 0 HA THR A 27 -11.909 5.543 7.099 1.00 0.00 H new ATOM 0 HB THR A 27 -10.506 6.865 5.842 1.00 0.00 H new ATOM 0 HG1 THR A 27 -11.084 7.805 3.948 1.00 0.00 H new ATOM 0 HG21 THR A 27 -9.539 5.620 3.977 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.816 4.644 5.439 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.916 4.495 4.048 1.00 0.00 H new ATOM 419 N SER A 28 -12.595 8.135 6.940 1.00 0.00 N ATOM 420 CA SER A 28 -13.256 9.423 7.056 1.00 0.00 C ATOM 421 C SER A 28 -14.018 9.834 5.813 1.00 0.00 C ATOM 422 O SER A 28 -14.905 10.677 5.912 1.00 0.00 O ATOM 423 CB SER A 28 -12.239 10.458 7.456 1.00 0.00 C ATOM 424 OG SER A 28 -11.105 10.461 6.641 1.00 0.00 O ATOM 0 H SER A 28 -11.605 8.161 7.185 1.00 0.00 H new ATOM 0 HA SER A 28 -14.020 9.335 7.828 1.00 0.00 H new ATOM 0 HB2 SER A 28 -12.703 11.444 7.425 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.936 10.280 8.488 1.00 0.00 H new ATOM 0 HG SER A 28 -10.498 11.175 6.928 1.00 0.00 H new ATOM 430 N SER A 29 -13.635 9.223 4.690 1.00 0.00 N ATOM 431 CA SER A 29 -14.404 9.042 3.452 1.00 0.00 C ATOM 432 C SER A 29 -13.944 9.774 2.216 1.00 0.00 C ATOM 433 O SER A 29 -14.464 9.533 1.130 1.00 0.00 O ATOM 434 CB SER A 29 -15.864 9.226 3.612 1.00 0.00 C ATOM 435 OG SER A 29 -16.462 8.414 4.620 1.00 0.00 O ATOM 0 H SER A 29 -12.706 8.808 4.614 1.00 0.00 H new ATOM 0 HA SER A 29 -14.178 7.992 3.263 1.00 0.00 H new ATOM 0 HB2 SER A 29 -16.061 10.273 3.844 1.00 0.00 H new ATOM 0 HB3 SER A 29 -16.349 9.014 2.659 1.00 0.00 H new ATOM 0 HG SER A 29 -15.765 7.912 5.092 1.00 0.00 H new ATOM 441 N GLU A 30 -12.918 10.591 2.368 1.00 0.00 N ATOM 442 CA GLU A 30 -12.170 11.047 1.206 1.00 0.00 C ATOM 443 C GLU A 30 -10.738 11.453 1.551 1.00 0.00 C ATOM 444 O GLU A 30 -9.873 11.690 0.716 1.00 0.00 O ATOM 445 CB GLU A 30 -12.938 12.232 0.571 1.00 0.00 C ATOM 446 CG GLU A 30 -12.516 12.648 -0.847 1.00 0.00 C ATOM 447 CD GLU A 30 -13.385 13.805 -1.374 1.00 0.00 C ATOM 448 OE1 GLU A 30 -13.259 14.928 -0.831 1.00 0.00 O ATOM 449 OE2 GLU A 30 -14.172 13.571 -2.321 1.00 0.00 O ATOM 0 H GLU A 30 -12.587 10.948 3.264 1.00 0.00 H new ATOM 0 HA GLU A 30 -12.086 10.221 0.499 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.998 11.978 0.550 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.830 13.097 1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.469 12.950 -0.843 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.599 11.793 -1.519 1.00 0.00 H new ATOM 456 N GLU A 31 -10.450 11.380 2.834 1.00 0.00 N ATOM 457 CA GLU A 31 -9.392 12.100 3.473 1.00 0.00 C ATOM 458 C GLU A 31 -8.261 11.251 3.954 1.00 0.00 C ATOM 459 O GLU A 31 -7.152 11.307 3.444 1.00 0.00 O ATOM 460 CB GLU A 31 -10.150 12.797 4.528 1.00 0.00 C ATOM 461 CG GLU A 31 -9.493 13.898 5.337 1.00 0.00 C ATOM 462 CD GLU A 31 -9.796 13.804 6.844 1.00 0.00 C ATOM 463 OE1 GLU A 31 -9.949 12.661 7.348 1.00 0.00 O ATOM 464 OE2 GLU A 31 -9.852 14.869 7.497 1.00 0.00 O ATOM 0 H GLU A 31 -10.975 10.789 3.479 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.838 12.768 2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.037 13.225 4.060 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.495 12.040 5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.414 13.857 5.186 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.830 14.865 4.964 1.00 0.00 H new ATOM 471 N GLU A 32 -8.633 10.389 4.877 1.00 0.00 N ATOM 472 CA GLU A 32 -7.928 9.190 5.196 1.00 0.00 C ATOM 473 C GLU A 32 -7.738 8.444 3.899 1.00 0.00 C ATOM 474 O GLU A 32 -6.828 7.678 3.801 1.00 0.00 O ATOM 475 CB GLU A 32 -8.728 8.349 6.102 1.00 0.00 C ATOM 476 CG GLU A 32 -8.476 8.709 7.556 1.00 0.00 C ATOM 477 CD GLU A 32 -7.169 8.299 8.232 1.00 0.00 C ATOM 478 OE1 GLU A 32 -6.159 8.006 7.563 1.00 0.00 O ATOM 479 OE2 GLU A 32 -7.094 8.439 9.475 1.00 0.00 O ATOM 0 H GLU A 32 -9.472 10.521 5.443 1.00 0.00 H new ATOM 0 HA GLU A 32 -6.981 9.424 5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -9.787 8.470 5.874 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.484 7.299 5.938 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.557 9.793 7.640 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.291 8.282 8.141 1.00 0.00 H new ATOM 486 N LEU A 33 -8.543 8.642 2.866 1.00 0.00 N ATOM 487 CA LEU A 33 -8.278 8.003 1.601 1.00 0.00 C ATOM 488 C LEU A 33 -7.014 8.546 0.968 1.00 0.00 C ATOM 489 O LEU A 33 -6.087 7.783 0.744 1.00 0.00 O ATOM 490 CB LEU A 33 -9.500 8.184 0.728 1.00 0.00 C ATOM 491 CG LEU A 33 -10.409 7.004 1.088 1.00 0.00 C ATOM 492 CD1 LEU A 33 -11.820 7.560 1.197 1.00 0.00 C ATOM 493 CD2 LEU A 33 -10.251 5.996 -0.061 1.00 0.00 C ATOM 0 H LEU A 33 -9.374 9.234 2.884 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.096 6.937 1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.991 9.137 0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.237 8.174 -0.330 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.169 6.509 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.509 6.755 1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.851 8.325 1.973 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.113 7.999 0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.876 5.124 0.132 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.557 6.461 -0.998 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.208 5.687 -0.133 1.00 0.00 H new ATOM 505 N VAL A 34 -6.939 9.857 0.767 1.00 0.00 N ATOM 506 CA VAL A 34 -5.743 10.568 0.314 1.00 0.00 C ATOM 507 C VAL A 34 -4.563 10.319 1.260 1.00 0.00 C ATOM 508 O VAL A 34 -3.400 10.314 0.863 1.00 0.00 O ATOM 509 CB VAL A 34 -6.094 12.040 0.148 1.00 0.00 C ATOM 510 CG1 VAL A 34 -4.906 13.011 0.071 1.00 0.00 C ATOM 511 CG2 VAL A 34 -6.973 12.245 -1.091 1.00 0.00 C ATOM 0 H VAL A 34 -7.734 10.477 0.919 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.414 10.191 -0.654 1.00 0.00 H new ATOM 0 HB VAL A 34 -6.623 12.287 1.069 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.276 14.030 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.319 12.942 0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.279 12.752 -0.782 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.215 13.303 -1.195 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.437 11.907 -1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.894 11.671 -0.983 1.00 0.00 H new ATOM 521 N LYS A 35 -4.850 10.078 2.532 1.00 0.00 N ATOM 522 CA LYS A 35 -3.856 9.919 3.567 1.00 0.00 C ATOM 523 C LYS A 35 -3.380 8.479 3.598 1.00 0.00 C ATOM 524 O LYS A 35 -2.191 8.256 3.820 1.00 0.00 O ATOM 525 CB LYS A 35 -4.442 10.473 4.850 1.00 0.00 C ATOM 526 CG LYS A 35 -3.711 9.920 6.049 1.00 0.00 C ATOM 527 CD LYS A 35 -4.304 10.489 7.320 1.00 0.00 C ATOM 528 CE LYS A 35 -3.860 9.583 8.472 1.00 0.00 C ATOM 529 NZ LYS A 35 -4.745 9.698 9.641 1.00 0.00 N ATOM 0 H LYS A 35 -5.807 9.987 2.874 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.943 10.487 3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.376 11.561 4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -5.500 10.218 4.913 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.782 8.832 6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.652 10.170 5.988 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.961 11.511 7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.392 10.524 7.255 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.843 8.548 8.132 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.841 9.840 8.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.173 9.720 10.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -5.301 10.574 9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.388 8.881 9.671 1.00 0.00 H new ATOM 543 N LEU A 36 -4.250 7.497 3.375 1.00 0.00 N ATOM 544 CA LEU A 36 -3.880 6.121 3.287 1.00 0.00 C ATOM 545 C LEU A 36 -3.180 5.903 1.968 1.00 0.00 C ATOM 546 O LEU A 36 -2.264 5.085 1.918 1.00 0.00 O ATOM 547 CB LEU A 36 -5.153 5.297 3.517 1.00 0.00 C ATOM 548 CG LEU A 36 -5.517 5.345 5.004 1.00 0.00 C ATOM 549 CD1 LEU A 36 -6.641 4.396 5.233 1.00 0.00 C ATOM 550 CD2 LEU A 36 -4.425 5.103 6.009 1.00 0.00 C ATOM 0 H LEU A 36 -5.249 7.658 3.250 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.165 5.799 4.044 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -5.972 5.693 2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.996 4.266 3.201 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.779 6.386 5.191 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.921 4.411 6.286 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.497 4.692 4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.330 3.389 4.954 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.836 5.169 7.016 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.002 4.110 5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.644 5.854 5.886 1.00 0.00 H new ATOM 562 N VAL A 37 -3.543 6.696 0.954 1.00 0.00 N ATOM 563 CA VAL A 37 -2.857 6.716 -0.319 1.00 0.00 C ATOM 564 C VAL A 37 -1.399 7.034 -0.012 1.00 0.00 C ATOM 565 O VAL A 37 -0.508 6.267 -0.345 1.00 0.00 O ATOM 566 CB VAL A 37 -3.538 7.729 -1.278 1.00 0.00 C ATOM 567 CG1 VAL A 37 -2.624 8.461 -2.267 1.00 0.00 C ATOM 568 CG2 VAL A 37 -4.657 7.055 -2.067 1.00 0.00 C ATOM 0 H VAL A 37 -4.330 7.343 1.006 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.907 5.761 -0.842 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.913 8.496 -0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.219 9.139 -2.879 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.876 9.031 -1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.127 7.734 -2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -5.121 7.782 -2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.245 6.235 -2.655 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.405 6.666 -1.377 1.00 0.00 H new ATOM 578 N THR A 38 -1.171 8.107 0.735 1.00 0.00 N ATOM 579 CA THR A 38 0.140 8.632 1.053 1.00 0.00 C ATOM 580 C THR A 38 0.878 7.692 1.986 1.00 0.00 C ATOM 581 O THR A 38 2.076 7.505 1.825 1.00 0.00 O ATOM 582 CB THR A 38 0.043 10.072 1.511 1.00 0.00 C ATOM 583 OG1 THR A 38 0.571 10.983 0.559 1.00 0.00 O ATOM 584 CG2 THR A 38 0.624 10.411 2.888 1.00 0.00 C ATOM 0 H THR A 38 -1.927 8.652 1.149 1.00 0.00 H new ATOM 0 HA THR A 38 0.760 8.673 0.157 1.00 0.00 H new ATOM 0 HB THR A 38 -1.036 10.189 1.610 1.00 0.00 H new ATOM 0 HG1 THR A 38 0.577 10.564 -0.327 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.487 11.474 3.089 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.111 9.828 3.653 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.688 10.173 2.903 1.00 0.00 H new ATOM 592 N HIS A 39 0.199 7.027 2.928 1.00 0.00 N ATOM 593 CA HIS A 39 0.829 5.948 3.641 1.00 0.00 C ATOM 594 C HIS A 39 1.304 4.837 2.733 1.00 0.00 C ATOM 595 O HIS A 39 2.254 4.165 3.113 1.00 0.00 O ATOM 596 CB HIS A 39 -0.158 5.399 4.649 1.00 0.00 C ATOM 597 CG HIS A 39 0.213 5.782 6.035 1.00 0.00 C ATOM 598 ND1 HIS A 39 1.447 5.713 6.643 1.00 0.00 N ATOM 599 CD2 HIS A 39 -0.731 5.931 6.986 1.00 0.00 C ATOM 600 CE1 HIS A 39 1.233 5.825 7.963 1.00 0.00 C ATOM 601 NE2 HIS A 39 -0.071 5.997 8.221 1.00 0.00 N ATOM 0 H HIS A 39 -0.765 7.223 3.199 1.00 0.00 H new ATOM 0 HA HIS A 39 1.716 6.346 4.133 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -1.157 5.771 4.422 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -0.197 4.313 4.568 1.00 0.00 H new ATOM 0 HD1 HIS A 39 2.349 5.599 6.180 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.798 5.989 6.826 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.007 5.782 8.715 1.00 0.00 H new ATOM 609 N PHE A 40 0.697 4.624 1.566 1.00 0.00 N ATOM 610 CA PHE A 40 1.353 3.764 0.594 1.00 0.00 C ATOM 611 C PHE A 40 2.624 4.432 0.097 1.00 0.00 C ATOM 612 O PHE A 40 3.711 3.876 0.239 1.00 0.00 O ATOM 613 CB PHE A 40 0.448 3.360 -0.569 1.00 0.00 C ATOM 614 CG PHE A 40 0.982 2.153 -1.304 1.00 0.00 C ATOM 615 CD1 PHE A 40 2.115 2.235 -2.135 1.00 0.00 C ATOM 616 CD2 PHE A 40 0.366 0.912 -1.098 1.00 0.00 C ATOM 617 CE1 PHE A 40 2.549 1.091 -2.826 1.00 0.00 C ATOM 618 CE2 PHE A 40 0.775 -0.221 -1.819 1.00 0.00 C ATOM 619 CZ PHE A 40 1.846 -0.121 -2.714 1.00 0.00 C ATOM 0 H PHE A 40 -0.202 5.014 1.283 1.00 0.00 H new ATOM 0 HA PHE A 40 1.604 2.834 1.103 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.552 3.143 -0.193 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.353 4.195 -1.263 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.646 3.169 -2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -0.433 0.826 -0.376 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.430 1.143 -3.448 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.266 -1.164 -1.684 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.131 -0.971 -3.316 1.00 0.00 H new ATOM 629 N GLU A 41 2.476 5.604 -0.507 1.00 0.00 N ATOM 630 CA GLU A 41 3.536 6.368 -1.152 1.00 0.00 C ATOM 631 C GLU A 41 4.770 6.559 -0.265 1.00 0.00 C ATOM 632 O GLU A 41 5.893 6.576 -0.773 1.00 0.00 O ATOM 633 CB GLU A 41 3.016 7.676 -1.701 1.00 0.00 C ATOM 634 CG GLU A 41 1.715 7.655 -2.498 1.00 0.00 C ATOM 635 CD GLU A 41 1.257 9.066 -2.872 1.00 0.00 C ATOM 636 OE1 GLU A 41 0.888 9.831 -1.946 1.00 0.00 O ATOM 637 OE2 GLU A 41 1.281 9.358 -4.091 1.00 0.00 O ATOM 0 H GLU A 41 1.570 6.070 -0.563 1.00 0.00 H new ATOM 0 HA GLU A 41 3.877 5.770 -1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.882 8.360 -0.863 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.791 8.101 -2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.853 7.065 -3.404 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.938 7.163 -1.913 1.00 0.00 H new ATOM 644 N GLU A 42 4.561 6.630 1.049 1.00 0.00 N ATOM 645 CA GLU A 42 5.572 6.760 2.069 1.00 0.00 C ATOM 646 C GLU A 42 6.286 5.422 2.157 1.00 0.00 C ATOM 647 O GLU A 42 7.430 5.246 1.726 1.00 0.00 O ATOM 648 CB GLU A 42 4.962 7.250 3.357 1.00 0.00 C ATOM 649 CG GLU A 42 5.808 7.588 4.601 1.00 0.00 C ATOM 650 CD GLU A 42 7.193 6.932 4.718 1.00 0.00 C ATOM 651 OE1 GLU A 42 7.247 5.728 5.057 1.00 0.00 O ATOM 652 OE2 GLU A 42 8.191 7.665 4.536 1.00 0.00 O ATOM 0 H GLU A 42 3.620 6.595 1.442 1.00 0.00 H new ATOM 0 HA GLU A 42 6.318 7.517 1.828 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.396 8.149 3.111 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.240 6.494 3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.944 8.669 4.631 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.231 7.315 5.484 1.00 0.00 H new ATOM 659 N MET A 43 5.507 4.448 2.626 1.00 0.00 N ATOM 660 CA MET A 43 5.950 3.217 3.217 1.00 0.00 C ATOM 661 C MET A 43 6.930 2.470 2.349 1.00 0.00 C ATOM 662 O MET A 43 7.801 1.750 2.844 1.00 0.00 O ATOM 663 CB MET A 43 4.716 2.374 3.501 1.00 0.00 C ATOM 664 CG MET A 43 4.170 2.519 4.926 1.00 0.00 C ATOM 665 SD MET A 43 4.083 4.167 5.670 1.00 0.00 S ATOM 666 CE MET A 43 5.463 4.011 6.818 1.00 0.00 C ATOM 0 H MET A 43 4.490 4.516 2.594 1.00 0.00 H new ATOM 0 HA MET A 43 6.490 3.438 4.138 1.00 0.00 H new ATOM 0 HB2 MET A 43 3.933 2.647 2.794 1.00 0.00 H new ATOM 0 HB3 MET A 43 4.956 1.326 3.321 1.00 0.00 H new ATOM 0 HG2 MET A 43 3.164 2.100 4.937 1.00 0.00 H new ATOM 0 HG3 MET A 43 4.782 1.896 5.578 1.00 0.00 H new ATOM 0 HE1 MET A 43 5.838 5.002 7.072 1.00 0.00 H new ATOM 0 HE2 MET A 43 5.127 3.507 7.724 1.00 0.00 H new ATOM 0 HE3 MET A 43 6.259 3.430 6.353 1.00 0.00 H new ATOM 676 N THR A 44 6.733 2.564 1.041 1.00 0.00 N ATOM 677 CA THR A 44 7.333 1.647 0.118 1.00 0.00 C ATOM 678 C THR A 44 8.386 2.326 -0.758 1.00 0.00 C ATOM 679 O THR A 44 9.172 1.590 -1.368 1.00 0.00 O ATOM 680 CB THR A 44 6.262 0.742 -0.527 1.00 0.00 C ATOM 681 OG1 THR A 44 6.524 0.421 -1.864 1.00 0.00 O ATOM 682 CG2 THR A 44 4.846 1.265 -0.500 1.00 0.00 C ATOM 0 H THR A 44 6.153 3.280 0.604 1.00 0.00 H new ATOM 0 HA THR A 44 7.957 0.914 0.629 1.00 0.00 H new ATOM 0 HB THR A 44 6.333 -0.133 0.119 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.858 0.852 -2.440 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.183 0.546 -0.981 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.532 1.413 0.533 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.799 2.215 -1.033 1.00 0.00 H new ATOM 690 N GLU A 45 8.522 3.659 -0.735 1.00 0.00 N ATOM 691 CA GLU A 45 9.587 4.371 -1.446 1.00 0.00 C ATOM 692 C GLU A 45 9.657 3.908 -2.901 1.00 0.00 C ATOM 693 O GLU A 45 10.718 3.511 -3.376 1.00 0.00 O ATOM 694 CB GLU A 45 10.875 4.270 -0.610 1.00 0.00 C ATOM 695 CG GLU A 45 12.058 5.162 -1.047 1.00 0.00 C ATOM 696 CD GLU A 45 13.337 4.343 -1.277 1.00 0.00 C ATOM 697 OE1 GLU A 45 13.654 3.437 -0.469 1.00 0.00 O ATOM 698 OE2 GLU A 45 13.881 4.389 -2.401 1.00 0.00 O ATOM 0 H GLU A 45 7.892 4.274 -0.220 1.00 0.00 H new ATOM 0 HA GLU A 45 9.392 5.439 -1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.629 4.513 0.424 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.208 3.232 -0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.795 5.690 -1.963 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.243 5.919 -0.285 1.00 0.00 H new ATOM 705 N HIS A 46 8.491 3.860 -3.561 1.00 0.00 N ATOM 706 CA HIS A 46 8.239 3.099 -4.779 1.00 0.00 C ATOM 707 C HIS A 46 7.815 4.022 -5.927 1.00 0.00 C ATOM 708 O HIS A 46 7.080 4.972 -5.675 1.00 0.00 O ATOM 709 CB HIS A 46 7.164 2.034 -4.487 1.00 0.00 C ATOM 710 CG HIS A 46 6.574 1.334 -5.691 1.00 0.00 C ATOM 711 ND1 HIS A 46 5.680 1.887 -6.580 1.00 0.00 N ATOM 712 CD2 HIS A 46 6.930 0.108 -6.188 1.00 0.00 C ATOM 713 CE1 HIS A 46 5.554 1.036 -7.617 1.00 0.00 C ATOM 714 NE2 HIS A 46 6.284 -0.068 -7.408 1.00 0.00 N ATOM 0 H HIS A 46 7.669 4.373 -3.243 1.00 0.00 H new ATOM 0 HA HIS A 46 9.157 2.603 -5.095 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.598 1.280 -3.831 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.353 2.508 -3.935 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.596 -0.599 -5.715 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.950 1.218 -8.493 1.00 0.00 H new ATOM 0 HE2 HIS A 46 6.353 -0.879 -8.023 1.00 0.00 H new ATOM 722 N PRO A 47 8.183 3.681 -7.179 1.00 0.00 N ATOM 723 CA PRO A 47 7.851 4.404 -8.405 1.00 0.00 C ATOM 724 C PRO A 47 6.441 4.999 -8.462 1.00 0.00 C ATOM 725 O PRO A 47 6.291 6.212 -8.535 1.00 0.00 O ATOM 726 CB PRO A 47 8.088 3.395 -9.541 1.00 0.00 C ATOM 727 CG PRO A 47 9.208 2.530 -8.987 1.00 0.00 C ATOM 728 CD PRO A 47 8.981 2.510 -7.513 1.00 0.00 C ATOM 0 HA PRO A 47 8.479 5.292 -8.478 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.194 2.811 -9.757 1.00 0.00 H new ATOM 0 HB3 PRO A 47 8.378 3.889 -10.468 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.175 1.524 -9.406 1.00 0.00 H new ATOM 0 HG3 PRO A 47 10.186 2.945 -9.231 1.00 0.00 H new ATOM 0 HD2 PRO A 47 8.465 1.597 -7.217 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.931 2.528 -6.978 1.00 0.00 H new ATOM 736 N SER A 48 5.425 4.139 -8.470 1.00 0.00 N ATOM 737 CA SER A 48 4.091 4.455 -8.950 1.00 0.00 C ATOM 738 C SER A 48 3.084 4.705 -7.813 1.00 0.00 C ATOM 739 O SER A 48 1.970 4.268 -7.880 1.00 0.00 O ATOM 740 CB SER A 48 3.637 3.387 -9.972 1.00 0.00 C ATOM 741 OG SER A 48 4.699 2.585 -10.477 1.00 0.00 O ATOM 0 H SER A 48 5.514 3.180 -8.133 1.00 0.00 H new ATOM 0 HA SER A 48 4.129 5.411 -9.473 1.00 0.00 H new ATOM 0 HB2 SER A 48 2.897 2.739 -9.502 1.00 0.00 H new ATOM 0 HB3 SER A 48 3.141 3.884 -10.806 1.00 0.00 H new ATOM 0 HG SER A 48 4.341 1.932 -11.114 1.00 0.00 H new ATOM 747 N GLY A 49 3.488 5.275 -6.696 1.00 0.00 N ATOM 748 CA GLY A 49 2.755 5.667 -5.491 1.00 0.00 C ATOM 749 C GLY A 49 1.232 5.772 -5.624 1.00 0.00 C ATOM 750 O GLY A 49 0.524 4.970 -5.023 1.00 0.00 O ATOM 0 H GLY A 49 4.475 5.510 -6.591 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.980 4.947 -4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.136 6.632 -5.158 1.00 0.00 H new ATOM 754 N SER A 50 0.734 6.741 -6.386 1.00 0.00 N ATOM 755 CA SER A 50 -0.700 6.991 -6.565 1.00 0.00 C ATOM 756 C SER A 50 -1.253 6.257 -7.800 1.00 0.00 C ATOM 757 O SER A 50 -2.346 6.556 -8.282 1.00 0.00 O ATOM 758 CB SER A 50 -0.922 8.509 -6.671 1.00 0.00 C ATOM 759 OG SER A 50 -0.955 9.127 -5.396 1.00 0.00 O ATOM 0 H SER A 50 1.324 7.389 -6.908 1.00 0.00 H new ATOM 0 HA SER A 50 -1.244 6.601 -5.705 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.125 8.952 -7.269 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.859 8.704 -7.194 1.00 0.00 H new ATOM 0 HG SER A 50 -0.043 9.204 -5.046 1.00 0.00 H new ATOM 765 N ASP A 51 -0.534 5.269 -8.333 1.00 0.00 N ATOM 766 CA ASP A 51 -0.636 4.765 -9.667 1.00 0.00 C ATOM 767 C ASP A 51 -0.447 3.258 -9.576 1.00 0.00 C ATOM 768 O ASP A 51 -0.791 2.587 -10.538 1.00 0.00 O ATOM 769 CB ASP A 51 0.476 5.344 -10.551 1.00 0.00 C ATOM 770 CG ASP A 51 0.629 6.865 -10.551 1.00 0.00 C ATOM 771 OD1 ASP A 51 1.375 7.352 -9.668 1.00 0.00 O ATOM 772 OD2 ASP A 51 0.075 7.510 -11.468 1.00 0.00 O ATOM 0 H ASP A 51 0.178 4.779 -7.792 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.598 5.037 -10.102 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.424 4.906 -10.237 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.300 5.019 -11.576 1.00 0.00 H new ATOM 777 N LEU A 52 0.024 2.693 -8.440 1.00 0.00 N ATOM 778 CA LEU A 52 -0.186 1.305 -8.125 1.00 0.00 C ATOM 779 C LEU A 52 -1.201 1.290 -7.044 1.00 0.00 C ATOM 780 O LEU A 52 -1.017 0.655 -6.018 1.00 0.00 O ATOM 781 CB LEU A 52 1.051 0.544 -7.699 1.00 0.00 C ATOM 782 CG LEU A 52 2.169 1.176 -6.887 1.00 0.00 C ATOM 783 CD1 LEU A 52 1.778 2.004 -5.689 1.00 0.00 C ATOM 784 CD2 LEU A 52 2.976 0.017 -6.333 1.00 0.00 C ATOM 0 H LEU A 52 0.555 3.204 -7.734 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.505 0.788 -9.030 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.704 -0.318 -7.130 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.509 0.161 -8.611 1.00 0.00 H new ATOM 0 HG LEU A 52 2.673 1.862 -7.567 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.675 2.392 -5.206 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.151 2.835 -6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.225 1.384 -4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.802 0.402 -5.735 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.336 -0.607 -5.709 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.371 -0.578 -7.157 1.00 0.00 H new ATOM 796 N ILE A 53 -2.256 2.048 -7.252 1.00 0.00 N ATOM 797 CA ILE A 53 -3.335 2.096 -6.330 1.00 0.00 C ATOM 798 C ILE A 53 -4.659 1.995 -7.100 1.00 0.00 C ATOM 799 O ILE A 53 -5.678 1.670 -6.499 1.00 0.00 O ATOM 800 CB ILE A 53 -3.067 3.312 -5.439 1.00 0.00 C ATOM 801 CG1 ILE A 53 -1.900 2.967 -4.483 1.00 0.00 C ATOM 802 CG2 ILE A 53 -4.300 3.694 -4.638 1.00 0.00 C ATOM 803 CD1 ILE A 53 -2.192 1.893 -3.490 1.00 0.00 C ATOM 0 H ILE A 53 -2.376 2.644 -8.071 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.422 1.256 -5.642 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.808 4.165 -6.066 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.039 2.665 -5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.613 3.870 -3.944 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.076 4.561 -4.016 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -5.115 3.937 -5.319 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.595 2.858 -4.003 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.313 1.725 -2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.029 2.196 -2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.447 0.972 -4.014 1.00 0.00 H new ATOM 815 N TYR A 54 -4.622 2.243 -8.421 1.00 0.00 N ATOM 816 CA TYR A 54 -5.756 2.632 -9.245 1.00 0.00 C ATOM 817 C TYR A 54 -5.500 2.463 -10.764 1.00 0.00 C ATOM 818 O TYR A 54 -6.315 1.907 -11.511 1.00 0.00 O ATOM 819 CB TYR A 54 -5.895 4.145 -9.028 1.00 0.00 C ATOM 820 CG TYR A 54 -6.295 4.707 -7.660 1.00 0.00 C ATOM 821 CD1 TYR A 54 -7.206 4.043 -6.811 1.00 0.00 C ATOM 822 CD2 TYR A 54 -5.656 5.870 -7.179 1.00 0.00 C ATOM 823 CE1 TYR A 54 -7.555 4.570 -5.556 1.00 0.00 C ATOM 824 CE2 TYR A 54 -5.935 6.357 -5.887 1.00 0.00 C ATOM 825 CZ TYR A 54 -6.938 5.753 -5.097 1.00 0.00 C ATOM 826 OH TYR A 54 -7.216 6.234 -3.855 1.00 0.00 O ATOM 0 H TYR A 54 -3.757 2.172 -8.957 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.615 2.019 -8.971 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.938 4.596 -9.292 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.628 4.506 -9.750 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.644 3.110 -7.133 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.948 6.391 -7.806 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.293 4.071 -4.945 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.379 7.197 -5.498 1.00 0.00 H new ATOM 0 HH TYR A 54 -8.022 5.797 -3.508 1.00 0.00 H new ATOM 836 N TYR A 55 -4.406 3.088 -11.231 1.00 0.00 N ATOM 837 CA TYR A 55 -3.951 3.272 -12.609 1.00 0.00 C ATOM 838 C TYR A 55 -3.159 2.099 -13.253 1.00 0.00 C ATOM 839 O TYR A 55 -2.881 2.198 -14.450 1.00 0.00 O ATOM 840 CB TYR A 55 -3.091 4.556 -12.623 1.00 0.00 C ATOM 841 CG TYR A 55 -3.107 5.466 -13.846 1.00 0.00 C ATOM 842 CD1 TYR A 55 -3.744 5.133 -15.062 1.00 0.00 C ATOM 843 CD2 TYR A 55 -2.458 6.711 -13.732 1.00 0.00 C ATOM 844 CE1 TYR A 55 -3.732 6.036 -16.142 1.00 0.00 C ATOM 845 CE2 TYR A 55 -2.440 7.618 -14.802 1.00 0.00 C ATOM 846 CZ TYR A 55 -3.080 7.282 -16.016 1.00 0.00 C ATOM 847 OH TYR A 55 -3.063 8.159 -17.058 1.00 0.00 O ATOM 0 H TYR A 55 -3.753 3.521 -10.578 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.848 3.331 -13.226 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -3.392 5.158 -11.766 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -2.057 4.256 -12.454 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -4.243 4.181 -15.164 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.967 6.971 -12.806 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.222 5.775 -17.068 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -1.939 8.569 -14.698 1.00 0.00 H new ATOM 0 HH TYR A 55 -2.572 8.966 -16.798 1.00 0.00 H new ATOM 857 N PRO A 56 -2.783 0.993 -12.574 1.00 0.00 N ATOM 858 CA PRO A 56 -2.447 -0.272 -13.229 1.00 0.00 C ATOM 859 C PRO A 56 -3.760 -0.848 -13.768 1.00 0.00 C ATOM 860 O PRO A 56 -4.683 -0.096 -14.099 1.00 0.00 O ATOM 861 CB PRO A 56 -1.755 -1.159 -12.185 1.00 0.00 C ATOM 862 CG PRO A 56 -2.004 -0.411 -10.898 1.00 0.00 C ATOM 863 CD PRO A 56 -3.016 0.647 -11.199 1.00 0.00 C ATOM 0 HA PRO A 56 -1.759 -0.175 -14.069 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.181 -2.162 -12.159 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.690 -1.270 -12.390 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.369 -1.086 -10.124 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.081 0.033 -10.525 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.031 0.278 -11.050 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.892 1.511 -10.546 1.00 0.00 H new ATOM 871 N LYS A 57 -3.848 -2.182 -13.879 1.00 0.00 N ATOM 872 CA LYS A 57 -5.057 -3.042 -13.952 1.00 0.00 C ATOM 873 C LYS A 57 -5.375 -3.451 -15.370 1.00 0.00 C ATOM 874 O LYS A 57 -6.137 -4.364 -15.676 1.00 0.00 O ATOM 875 CB LYS A 57 -6.242 -2.220 -13.532 1.00 0.00 C ATOM 876 CG LYS A 57 -7.524 -2.965 -13.292 1.00 0.00 C ATOM 877 CD LYS A 57 -8.418 -1.935 -12.612 1.00 0.00 C ATOM 878 CE LYS A 57 -8.766 -0.672 -13.452 1.00 0.00 C ATOM 879 NZ LYS A 57 -7.692 0.365 -13.553 1.00 0.00 N ATOM 0 H LYS A 57 -3.000 -2.747 -13.925 1.00 0.00 H new ATOM 0 HA LYS A 57 -4.867 -3.916 -13.328 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -5.981 -1.687 -12.618 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.424 -1.467 -14.299 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -7.961 -3.321 -14.225 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.367 -3.839 -12.660 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.349 -2.424 -12.326 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -7.931 -1.612 -11.692 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.031 -0.992 -14.460 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.653 -0.207 -13.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -8.101 1.306 -13.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -6.957 0.174 -12.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -7.270 0.336 -14.503 1.00 0.00 H new ATOM 893 N GLU A 58 -4.743 -2.687 -16.237 1.00 0.00 N ATOM 894 CA GLU A 58 -5.196 -2.523 -17.588 1.00 0.00 C ATOM 895 C GLU A 58 -4.431 -3.125 -18.732 1.00 0.00 C ATOM 896 O GLU A 58 -4.803 -3.168 -19.903 1.00 0.00 O ATOM 897 CB GLU A 58 -5.488 -1.074 -17.687 1.00 0.00 C ATOM 898 CG GLU A 58 -6.780 -0.824 -18.439 1.00 0.00 C ATOM 899 CD GLU A 58 -7.710 0.197 -17.742 1.00 0.00 C ATOM 900 OE1 GLU A 58 -7.925 0.088 -16.504 1.00 0.00 O ATOM 901 OE2 GLU A 58 -8.251 1.064 -18.464 1.00 0.00 O ATOM 0 H GLU A 58 -3.897 -2.163 -16.015 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.064 -3.163 -17.745 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.558 -0.646 -16.687 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.666 -0.569 -18.194 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.545 -0.465 -19.441 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.312 -1.768 -18.556 1.00 0.00 H new ATOM 908 N GLY A 59 -3.365 -3.673 -18.254 1.00 0.00 N ATOM 909 CA GLY A 59 -2.541 -4.685 -18.803 1.00 0.00 C ATOM 910 C GLY A 59 -1.784 -5.289 -17.615 1.00 0.00 C ATOM 911 O GLY A 59 -0.763 -5.935 -17.836 1.00 0.00 O ATOM 0 H GLY A 59 -3.009 -3.377 -17.345 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.137 -5.441 -19.314 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.851 -4.272 -19.539 1.00 0.00 H new ATOM 915 N ASP A 60 -2.237 -5.023 -16.373 1.00 0.00 N ATOM 916 CA ASP A 60 -1.529 -5.309 -15.142 1.00 0.00 C ATOM 917 C ASP A 60 -2.537 -5.823 -14.159 1.00 0.00 C ATOM 918 O ASP A 60 -3.743 -5.758 -14.404 1.00 0.00 O ATOM 919 CB ASP A 60 -0.806 -4.042 -14.628 1.00 0.00 C ATOM 920 CG ASP A 60 0.480 -4.343 -13.840 1.00 0.00 C ATOM 921 OD1 ASP A 60 0.668 -5.509 -13.420 1.00 0.00 O ATOM 922 OD2 ASP A 60 1.293 -3.402 -13.703 1.00 0.00 O ATOM 0 H ASP A 60 -3.144 -4.585 -16.211 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.755 -6.061 -15.296 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.561 -3.404 -15.477 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.488 -3.478 -13.992 1.00 0.00 H new ATOM 927 N ASP A 61 -2.018 -6.334 -13.063 1.00 0.00 N ATOM 928 CA ASP A 61 -2.810 -6.508 -11.878 1.00 0.00 C ATOM 929 C ASP A 61 -2.653 -5.265 -11.002 1.00 0.00 C ATOM 930 O ASP A 61 -1.672 -4.529 -11.081 1.00 0.00 O ATOM 931 CB ASP A 61 -2.633 -7.843 -11.191 1.00 0.00 C ATOM 932 CG ASP A 61 -3.637 -8.175 -10.063 1.00 0.00 C ATOM 933 OD1 ASP A 61 -4.713 -7.536 -9.953 1.00 0.00 O ATOM 934 OD2 ASP A 61 -3.306 -9.076 -9.255 1.00 0.00 O ATOM 0 H ASP A 61 -1.048 -6.635 -12.974 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.862 -6.578 -12.154 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.696 -8.627 -11.946 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.626 -7.882 -10.775 1.00 0.00 H new ATOM 939 N ASP A 62 -3.672 -5.006 -10.213 1.00 0.00 N ATOM 940 CA ASP A 62 -3.964 -3.819 -9.434 1.00 0.00 C ATOM 941 C ASP A 62 -4.864 -4.428 -8.342 1.00 0.00 C ATOM 942 O ASP A 62 -4.400 -5.011 -7.364 1.00 0.00 O ATOM 943 CB ASP A 62 -4.676 -2.814 -10.324 1.00 0.00 C ATOM 944 CG ASP A 62 -5.547 -1.763 -9.633 1.00 0.00 C ATOM 945 OD1 ASP A 62 -4.998 -0.726 -9.214 1.00 0.00 O ATOM 946 OD2 ASP A 62 -6.777 -1.992 -9.628 1.00 0.00 O ATOM 0 H ASP A 62 -4.404 -5.705 -10.086 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.118 -3.269 -9.022 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.923 -2.293 -10.915 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.304 -3.367 -11.023 1.00 0.00 H new ATOM 951 N SER A 63 -6.165 -4.510 -8.589 1.00 0.00 N ATOM 952 CA SER A 63 -7.176 -4.919 -7.619 1.00 0.00 C ATOM 953 C SER A 63 -6.895 -4.160 -6.297 1.00 0.00 C ATOM 954 O SER A 63 -6.340 -3.069 -6.354 1.00 0.00 O ATOM 955 CB SER A 63 -7.187 -6.458 -7.550 1.00 0.00 C ATOM 956 OG SER A 63 -7.141 -7.094 -8.820 1.00 0.00 O ATOM 0 H SER A 63 -6.561 -4.286 -9.502 1.00 0.00 H new ATOM 0 HA SER A 63 -8.196 -4.649 -7.893 1.00 0.00 H new ATOM 0 HB2 SER A 63 -6.335 -6.791 -6.957 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.086 -6.782 -7.025 1.00 0.00 H new ATOM 0 HG SER A 63 -6.208 -7.187 -9.106 1.00 0.00 H new ATOM 962 N PRO A 64 -7.227 -4.645 -5.087 1.00 0.00 N ATOM 963 CA PRO A 64 -6.557 -4.131 -3.894 1.00 0.00 C ATOM 964 C PRO A 64 -5.225 -4.781 -3.605 1.00 0.00 C ATOM 965 O PRO A 64 -4.578 -4.433 -2.633 1.00 0.00 O ATOM 966 CB PRO A 64 -7.516 -4.424 -2.762 1.00 0.00 C ATOM 967 CG PRO A 64 -8.237 -5.690 -3.197 1.00 0.00 C ATOM 968 CD PRO A 64 -8.373 -5.452 -4.698 1.00 0.00 C ATOM 0 HA PRO A 64 -6.329 -3.074 -4.028 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -6.987 -4.571 -1.821 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.214 -3.601 -2.610 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.662 -6.589 -2.973 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.205 -5.801 -2.708 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.387 -6.396 -5.242 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.307 -4.938 -4.928 1.00 0.00 H new ATOM 976 N SER A 65 -4.862 -5.781 -4.385 1.00 0.00 N ATOM 977 CA SER A 65 -3.887 -6.785 -4.037 1.00 0.00 C ATOM 978 C SER A 65 -2.702 -6.977 -4.938 1.00 0.00 C ATOM 979 O SER A 65 -1.596 -7.048 -4.416 1.00 0.00 O ATOM 980 CB SER A 65 -4.662 -8.071 -3.833 1.00 0.00 C ATOM 981 OG SER A 65 -5.712 -8.261 -4.777 1.00 0.00 O ATOM 0 H SER A 65 -5.257 -5.918 -5.315 1.00 0.00 H new ATOM 0 HA SER A 65 -3.382 -6.429 -3.139 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.973 -8.914 -3.894 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.083 -8.076 -2.828 1.00 0.00 H new ATOM 0 HG SER A 65 -6.170 -9.107 -4.591 1.00 0.00 H new ATOM 987 N GLY A 66 -2.937 -7.081 -6.228 1.00 0.00 N ATOM 988 CA GLY A 66 -2.066 -6.940 -7.350 1.00 0.00 C ATOM 989 C GLY A 66 -1.289 -5.654 -7.260 1.00 0.00 C ATOM 990 O GLY A 66 -0.121 -5.679 -7.581 1.00 0.00 O ATOM 0 H GLY A 66 -3.882 -7.298 -6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.378 -7.785 -7.391 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.647 -6.956 -8.272 1.00 0.00 H new ATOM 994 N ILE A 67 -1.850 -4.575 -6.715 1.00 0.00 N ATOM 995 CA ILE A 67 -1.095 -3.365 -6.475 1.00 0.00 C ATOM 996 C ILE A 67 -0.061 -3.462 -5.382 1.00 0.00 C ATOM 997 O ILE A 67 1.094 -3.044 -5.489 1.00 0.00 O ATOM 998 CB ILE A 67 -2.025 -2.197 -6.147 1.00 0.00 C ATOM 999 CG1 ILE A 67 -3.091 -2.507 -5.105 1.00 0.00 C ATOM 1000 CG2 ILE A 67 -2.593 -1.575 -7.402 1.00 0.00 C ATOM 1001 CD1 ILE A 67 -4.164 -1.409 -4.985 1.00 0.00 C ATOM 0 H ILE A 67 -2.829 -4.523 -6.434 1.00 0.00 H new ATOM 0 HA ILE A 67 -0.558 -3.200 -7.409 1.00 0.00 H new ATOM 0 HB ILE A 67 -1.397 -1.450 -5.663 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.574 -3.451 -5.359 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.612 -2.645 -4.136 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.250 -0.748 -7.133 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.779 -1.204 -8.025 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.160 -2.324 -7.955 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.892 -1.693 -4.225 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.692 -0.468 -4.701 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.668 -1.287 -5.944 1.00 0.00 H new ATOM 1013 N VAL A 68 -0.479 -4.056 -4.287 1.00 0.00 N ATOM 1014 CA VAL A 68 0.420 -4.275 -3.170 1.00 0.00 C ATOM 1015 C VAL A 68 1.390 -5.370 -3.586 1.00 0.00 C ATOM 1016 O VAL A 68 2.487 -5.481 -3.044 1.00 0.00 O ATOM 1017 CB VAL A 68 -0.382 -4.614 -1.915 1.00 0.00 C ATOM 1018 CG1 VAL A 68 0.358 -4.239 -0.619 1.00 0.00 C ATOM 1019 CG2 VAL A 68 -1.645 -3.793 -1.888 1.00 0.00 C ATOM 0 H VAL A 68 -1.430 -4.396 -4.143 1.00 0.00 H new ATOM 0 HA VAL A 68 0.993 -3.382 -2.919 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.560 -5.689 -1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -0.258 -4.502 0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.302 -4.782 -0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.555 -3.167 -0.610 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.217 -4.035 -0.992 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -1.390 -2.733 -1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -2.243 -4.016 -2.772 1.00 0.00 H new ATOM 1029 N ASN A 69 0.971 -6.146 -4.576 1.00 0.00 N ATOM 1030 CA ASN A 69 1.759 -7.029 -5.410 1.00 0.00 C ATOM 1031 C ASN A 69 2.725 -6.304 -6.310 1.00 0.00 C ATOM 1032 O ASN A 69 3.828 -6.795 -6.481 1.00 0.00 O ATOM 1033 CB ASN A 69 0.947 -7.974 -6.222 1.00 0.00 C ATOM 1034 CG ASN A 69 1.307 -9.426 -5.979 1.00 0.00 C ATOM 1035 OD1 ASN A 69 2.439 -9.844 -6.185 1.00 0.00 O ATOM 1036 ND2 ASN A 69 0.369 -10.193 -5.452 1.00 0.00 N ATOM 0 H ASN A 69 -0.015 -6.172 -4.835 1.00 0.00 H new ATOM 0 HA ASN A 69 2.331 -7.610 -4.687 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.109 -7.825 -5.995 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.082 -7.744 -7.279 1.00 0.00 H new ATOM 0 HD21 ASN A 69 0.580 -11.160 -5.206 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.566 -9.818 -5.291 1.00 0.00 H new ATOM 1043 N THR A 70 2.359 -5.161 -6.875 1.00 0.00 N ATOM 1044 CA THR A 70 3.215 -4.467 -7.799 1.00 0.00 C ATOM 1045 C THR A 70 4.452 -4.050 -6.997 1.00 0.00 C ATOM 1046 O THR A 70 5.609 -4.207 -7.403 1.00 0.00 O ATOM 1047 CB THR A 70 2.493 -3.236 -8.389 1.00 0.00 C ATOM 1048 OG1 THR A 70 1.262 -3.577 -8.977 1.00 0.00 O ATOM 1049 CG2 THR A 70 3.311 -2.394 -9.370 1.00 0.00 C ATOM 0 H THR A 70 1.466 -4.700 -6.701 1.00 0.00 H new ATOM 0 HA THR A 70 3.490 -5.099 -8.643 1.00 0.00 H new ATOM 0 HB THR A 70 2.329 -2.605 -7.515 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.871 -4.338 -8.499 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.708 -1.557 -9.722 1.00 0.00 H new ATOM 0 HG22 THR A 70 4.202 -2.014 -8.869 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.607 -3.010 -10.219 1.00 0.00 H new ATOM 1057 N VAL A 71 4.184 -3.636 -5.753 1.00 0.00 N ATOM 1058 CA VAL A 71 5.187 -3.425 -4.747 1.00 0.00 C ATOM 1059 C VAL A 71 5.938 -4.683 -4.536 1.00 0.00 C ATOM 1060 O VAL A 71 7.148 -4.640 -4.578 1.00 0.00 O ATOM 1061 CB VAL A 71 4.564 -2.906 -3.439 1.00 0.00 C ATOM 1062 CG1 VAL A 71 5.143 -3.354 -2.095 1.00 0.00 C ATOM 1063 CG2 VAL A 71 4.833 -1.445 -3.572 1.00 0.00 C ATOM 0 H VAL A 71 3.237 -3.439 -5.428 1.00 0.00 H new ATOM 0 HA VAL A 71 5.881 -2.657 -5.087 1.00 0.00 H new ATOM 0 HB VAL A 71 3.541 -3.277 -3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.581 -2.891 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.073 -4.439 -2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.188 -3.052 -2.030 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.441 -0.922 -2.699 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.908 -1.278 -3.643 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.347 -1.066 -4.471 1.00 0.00 H new ATOM 1073 N LYS A 72 5.254 -5.789 -4.329 1.00 0.00 N ATOM 1074 CA LYS A 72 5.887 -7.079 -4.041 1.00 0.00 C ATOM 1075 C LYS A 72 6.864 -7.630 -5.052 1.00 0.00 C ATOM 1076 O LYS A 72 7.370 -8.731 -4.894 1.00 0.00 O ATOM 1077 CB LYS A 72 4.835 -8.145 -3.788 1.00 0.00 C ATOM 1078 CG LYS A 72 5.104 -8.550 -2.361 1.00 0.00 C ATOM 1079 CD LYS A 72 4.495 -7.440 -1.524 1.00 0.00 C ATOM 1080 CE LYS A 72 3.116 -7.903 -1.040 1.00 0.00 C ATOM 1081 NZ LYS A 72 2.364 -6.813 -0.404 1.00 0.00 N ATOM 0 H LYS A 72 4.235 -5.828 -4.354 1.00 0.00 H new ATOM 0 HA LYS A 72 6.487 -6.845 -3.162 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.825 -7.754 -3.914 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.939 -8.986 -4.473 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.650 -9.514 -2.131 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.173 -8.648 -2.172 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.138 -7.209 -0.674 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.404 -6.527 -2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.547 -8.292 -1.884 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.236 -8.723 -0.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 1.425 -7.158 -0.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.878 -6.481 0.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.256 -6.027 -1.077 1.00 0.00 H new ATOM 1095 N GLN A 73 7.067 -6.868 -6.094 1.00 0.00 N ATOM 1096 CA GLN A 73 7.813 -7.129 -7.269 1.00 0.00 C ATOM 1097 C GLN A 73 8.927 -6.111 -7.414 1.00 0.00 C ATOM 1098 O GLN A 73 10.092 -6.476 -7.428 1.00 0.00 O ATOM 1099 CB GLN A 73 6.889 -7.309 -8.476 1.00 0.00 C ATOM 1100 CG GLN A 73 5.969 -8.476 -8.109 1.00 0.00 C ATOM 1101 CD GLN A 73 5.000 -8.890 -9.200 1.00 0.00 C ATOM 1102 OE1 GLN A 73 5.398 -9.296 -10.284 1.00 0.00 O ATOM 1103 NE2 GLN A 73 3.716 -8.807 -8.900 1.00 0.00 N ATOM 0 H GLN A 73 6.655 -5.935 -6.129 1.00 0.00 H new ATOM 0 HA GLN A 73 8.327 -8.088 -7.198 1.00 0.00 H new ATOM 0 HB2 GLN A 73 6.316 -6.403 -8.671 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.459 -7.526 -9.379 1.00 0.00 H new ATOM 0 HG2 GLN A 73 6.584 -9.336 -7.844 1.00 0.00 H new ATOM 0 HG3 GLN A 73 5.399 -8.205 -7.220 1.00 0.00 H new ATOM 0 HE21 GLN A 73 3.427 -8.463 -7.984 1.00 0.00 H new ATOM 0 HE22 GLN A 73 3.013 -9.087 -9.584 1.00 0.00 H new ATOM 1112 N TRP A 74 8.596 -4.828 -7.361 1.00 0.00 N ATOM 1113 CA TRP A 74 9.510 -3.712 -7.221 1.00 0.00 C ATOM 1114 C TRP A 74 10.284 -3.856 -5.921 1.00 0.00 C ATOM 1115 O TRP A 74 11.466 -4.146 -5.942 1.00 0.00 O ATOM 1116 CB TRP A 74 8.786 -2.403 -7.342 1.00 0.00 C ATOM 1117 CG TRP A 74 9.765 -1.317 -7.662 1.00 0.00 C ATOM 1118 CD1 TRP A 74 10.182 -1.018 -8.903 1.00 0.00 C ATOM 1119 CD2 TRP A 74 10.505 -0.417 -6.802 1.00 0.00 C ATOM 1120 NE1 TRP A 74 11.227 -0.125 -8.874 1.00 0.00 N ATOM 1121 CE2 TRP A 74 11.434 0.326 -7.596 1.00 0.00 C ATOM 1122 CE3 TRP A 74 10.410 -0.090 -5.445 1.00 0.00 C ATOM 1123 CZ2 TRP A 74 12.245 1.340 -7.072 1.00 0.00 C ATOM 1124 CZ3 TRP A 74 11.141 0.989 -4.951 1.00 0.00 C ATOM 1125 CH2 TRP A 74 12.072 1.696 -5.729 1.00 0.00 C ATOM 0 H TRP A 74 7.624 -4.525 -7.418 1.00 0.00 H new ATOM 0 HA TRP A 74 10.235 -3.721 -8.035 1.00 0.00 H new ATOM 0 HB2 TRP A 74 8.028 -2.466 -8.123 1.00 0.00 H new ATOM 0 HB3 TRP A 74 8.266 -2.176 -6.411 1.00 0.00 H new ATOM 0 HD1 TRP A 74 9.752 -1.426 -9.806 1.00 0.00 H new ATOM 0 HE1 TRP A 74 11.771 0.161 -9.688 1.00 0.00 H new ATOM 0 HE3 TRP A 74 9.777 -0.667 -4.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 12.983 1.834 -7.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 10.985 1.294 -3.927 1.00 0.00 H new ATOM 0 HH2 TRP A 74 12.646 2.503 -5.298 1.00 0.00 H new ATOM 1136 N ARG A 75 9.623 -3.792 -4.769 1.00 0.00 N ATOM 1137 CA ARG A 75 10.165 -4.113 -3.453 1.00 0.00 C ATOM 1138 C ARG A 75 10.845 -5.452 -3.405 1.00 0.00 C ATOM 1139 O ARG A 75 11.674 -5.626 -2.537 1.00 0.00 O ATOM 1140 CB ARG A 75 9.016 -4.201 -2.412 1.00 0.00 C ATOM 1141 CG ARG A 75 9.423 -4.500 -0.961 1.00 0.00 C ATOM 1142 CD ARG A 75 8.640 -3.754 0.125 1.00 0.00 C ATOM 1143 NE ARG A 75 9.294 -2.525 0.599 1.00 0.00 N ATOM 1144 CZ ARG A 75 9.320 -1.322 0.027 1.00 0.00 C ATOM 1145 NH1 ARG A 75 8.716 -1.126 -1.132 1.00 0.00 N ATOM 1146 NH2 ARG A 75 9.987 -0.334 0.610 1.00 0.00 N ATOM 0 H ARG A 75 8.647 -3.500 -4.726 1.00 0.00 H new ATOM 0 HA ARG A 75 10.882 -3.321 -3.236 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.471 -3.257 -2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 75 8.321 -4.975 -2.737 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.315 -5.571 -0.788 1.00 0.00 H new ATOM 0 HG3 ARG A 75 10.481 -4.263 -0.845 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.653 -3.501 -0.262 1.00 0.00 H new ATOM 0 HD3 ARG A 75 8.488 -4.422 0.973 1.00 0.00 H new ATOM 0 HE ARG A 75 9.795 -2.604 1.484 1.00 0.00 H new ATOM 0 HH11 ARG A 75 8.229 -1.896 -1.590 1.00 0.00 H new ATOM 0 HH12 ARG A 75 8.737 -0.204 -1.569 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.475 -0.498 1.490 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.011 0.590 0.178 1.00 0.00 H new ATOM 1160 N ALA A 76 10.536 -6.391 -4.273 1.00 0.00 N ATOM 1161 CA ALA A 76 11.188 -7.685 -4.186 1.00 0.00 C ATOM 1162 C ALA A 76 12.412 -7.784 -5.056 1.00 0.00 C ATOM 1163 O ALA A 76 13.318 -8.562 -4.774 1.00 0.00 O ATOM 1164 CB ALA A 76 10.215 -8.817 -4.464 1.00 0.00 C ATOM 0 H ALA A 76 9.857 -6.292 -5.028 1.00 0.00 H new ATOM 0 HA ALA A 76 11.535 -7.785 -3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.737 -9.771 -4.391 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.406 -8.789 -3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.803 -8.705 -5.467 1.00 0.00 H new ATOM 1170 N ALA A 77 12.459 -6.931 -6.063 1.00 0.00 N ATOM 1171 CA ALA A 77 13.531 -6.920 -7.037 1.00 0.00 C ATOM 1172 C ALA A 77 14.585 -5.919 -6.660 1.00 0.00 C ATOM 1173 O ALA A 77 15.784 -6.132 -6.808 1.00 0.00 O ATOM 1174 CB ALA A 77 12.956 -6.593 -8.418 1.00 0.00 C ATOM 0 H ALA A 77 11.746 -6.220 -6.228 1.00 0.00 H new ATOM 0 HA ALA A 77 13.998 -7.905 -7.061 1.00 0.00 H new ATOM 0 HB1 ALA A 77 13.760 -6.584 -9.154 1.00 0.00 H new ATOM 0 HB2 ALA A 77 12.220 -7.348 -8.694 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.478 -5.614 -8.391 1.00 0.00 H new ATOM 1180 N ASN A 78 14.092 -4.842 -6.085 1.00 0.00 N ATOM 1181 CA ASN A 78 14.840 -3.922 -5.301 1.00 0.00 C ATOM 1182 C ASN A 78 15.189 -4.502 -3.941 1.00 0.00 C ATOM 1183 O ASN A 78 16.063 -4.008 -3.236 1.00 0.00 O ATOM 1184 CB ASN A 78 13.942 -2.700 -5.208 1.00 0.00 C ATOM 1185 CG ASN A 78 14.727 -1.414 -4.921 1.00 0.00 C ATOM 1186 OD1 ASN A 78 14.464 -0.384 -5.514 1.00 0.00 O ATOM 1187 ND2 ASN A 78 15.677 -1.394 -4.002 1.00 0.00 N ATOM 0 H ASN A 78 13.108 -4.585 -6.165 1.00 0.00 H new ATOM 0 HA ASN A 78 15.806 -3.677 -5.742 1.00 0.00 H new ATOM 0 HB2 ASN A 78 13.392 -2.585 -6.142 1.00 0.00 H new ATOM 0 HB3 ASN A 78 13.204 -2.855 -4.421 1.00 0.00 H new ATOM 0 HD21 ASN A 78 16.174 -0.526 -3.801 1.00 0.00 H new ATOM 0 HD22 ASN A 78 15.913 -2.246 -3.494 1.00 0.00 H new ATOM 1194 N GLY A 79 14.458 -5.546 -3.587 1.00 0.00 N ATOM 1195 CA GLY A 79 14.596 -6.278 -2.330 1.00 0.00 C ATOM 1196 C GLY A 79 14.376 -5.352 -1.133 1.00 0.00 C ATOM 1197 O GLY A 79 14.979 -5.552 -0.083 1.00 0.00 O ATOM 0 H GLY A 79 13.724 -5.924 -4.186 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.876 -7.096 -2.300 1.00 0.00 H new ATOM 0 HA3 GLY A 79 15.588 -6.725 -2.272 1.00 0.00 H new ATOM 1201 N LYS A 80 13.559 -4.304 -1.322 1.00 0.00 N ATOM 1202 CA LYS A 80 13.561 -3.093 -0.464 1.00 0.00 C ATOM 1203 C LYS A 80 13.651 -3.327 1.052 1.00 0.00 C ATOM 1204 O LYS A 80 14.287 -2.607 1.814 1.00 0.00 O ATOM 1205 CB LYS A 80 12.369 -2.179 -0.593 1.00 0.00 C ATOM 1206 CG LYS A 80 12.119 -1.831 -2.019 1.00 0.00 C ATOM 1207 CD LYS A 80 12.652 -0.627 -2.594 1.00 0.00 C ATOM 1208 CE LYS A 80 12.042 0.623 -2.071 1.00 0.00 C ATOM 1209 NZ LYS A 80 12.791 1.828 -2.482 1.00 0.00 N ATOM 0 H LYS A 80 12.873 -4.266 -2.076 1.00 0.00 H new ATOM 0 HA LYS A 80 14.470 -2.644 -0.864 1.00 0.00 H new ATOM 0 HB2 LYS A 80 11.487 -2.663 -0.172 1.00 0.00 H new ATOM 0 HB3 LYS A 80 12.539 -1.269 -0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.489 -2.662 -2.619 1.00 0.00 H new ATOM 0 HG3 LYS A 80 11.038 -1.797 -2.154 1.00 0.00 H new ATOM 0 HD2 LYS A 80 13.726 -0.596 -2.413 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.512 -0.661 -3.674 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.014 0.699 -2.425 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.001 0.577 -0.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.126 2.611 -2.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.462 2.092 -1.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.313 1.630 -3.359 1.00 0.00 H new ATOM 1223 N SER A 81 12.704 -4.157 1.458 1.00 0.00 N ATOM 1224 CA SER A 81 12.064 -4.424 2.739 1.00 0.00 C ATOM 1225 C SER A 81 11.127 -5.587 2.488 1.00 0.00 C ATOM 1226 O SER A 81 10.685 -5.835 1.371 1.00 0.00 O ATOM 1227 CB SER A 81 11.335 -3.203 3.284 1.00 0.00 C ATOM 1228 OG SER A 81 11.478 -2.011 2.528 1.00 0.00 O ATOM 0 H SER A 81 12.291 -4.775 0.759 1.00 0.00 H new ATOM 0 HA SER A 81 12.799 -4.666 3.507 1.00 0.00 H new ATOM 0 HB2 SER A 81 10.273 -3.440 3.357 1.00 0.00 H new ATOM 0 HB3 SER A 81 11.690 -3.013 4.297 1.00 0.00 H new ATOM 0 HG SER A 81 11.419 -1.236 3.125 1.00 0.00 H new ATOM 1234 N GLY A 82 10.841 -6.287 3.567 1.00 0.00 N ATOM 1235 CA GLY A 82 10.145 -7.553 3.580 1.00 0.00 C ATOM 1236 C GLY A 82 9.259 -7.673 4.798 1.00 0.00 C ATOM 1237 O GLY A 82 9.063 -8.751 5.347 1.00 0.00 O ATOM 0 H GLY A 82 11.101 -5.972 4.502 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.542 -7.650 2.677 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.868 -8.369 3.570 1.00 0.00 H new ATOM 1241 N PHE A 83 8.753 -6.518 5.203 1.00 0.00 N ATOM 1242 CA PHE A 83 7.796 -6.261 6.195 1.00 0.00 C ATOM 1243 C PHE A 83 8.133 -6.967 7.485 1.00 0.00 C ATOM 1244 O PHE A 83 9.100 -6.689 8.191 1.00 0.00 O ATOM 1245 CB PHE A 83 6.398 -6.554 5.638 1.00 0.00 C ATOM 1246 CG PHE A 83 5.907 -5.816 4.458 1.00 0.00 C ATOM 1247 CD1 PHE A 83 6.427 -6.126 3.211 1.00 0.00 C ATOM 1248 CD2 PHE A 83 4.806 -4.969 4.577 1.00 0.00 C ATOM 1249 CE1 PHE A 83 5.963 -5.468 2.080 1.00 0.00 C ATOM 1250 CE2 PHE A 83 4.306 -4.348 3.440 1.00 0.00 C ATOM 1251 CZ PHE A 83 4.885 -4.560 2.165 1.00 0.00 C ATOM 0 H PHE A 83 9.063 -5.648 4.770 1.00 0.00 H new ATOM 0 HA PHE A 83 7.803 -5.205 6.465 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.361 -7.616 5.395 1.00 0.00 H new ATOM 0 HB3 PHE A 83 5.685 -6.387 6.445 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.194 -6.881 3.119 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.348 -4.798 5.540 1.00 0.00 H new ATOM 0 HE1 PHE A 83 6.432 -5.653 1.125 1.00 0.00 H new ATOM 0 HE2 PHE A 83 3.456 -3.688 3.530 1.00 0.00 H new ATOM 0 HZ PHE A 83 4.516 -4.046 1.290 1.00 0.00 H new ATOM 1261 N LYS A 84 7.186 -7.825 7.745 1.00 0.00 N ATOM 1262 CA LYS A 84 6.700 -8.479 8.872 1.00 0.00 C ATOM 1263 C LYS A 84 5.688 -9.462 8.315 1.00 0.00 C ATOM 1264 O LYS A 84 5.204 -9.332 7.186 1.00 0.00 O ATOM 1265 CB LYS A 84 6.245 -7.403 9.794 1.00 0.00 C ATOM 1266 CG LYS A 84 6.502 -7.831 11.236 1.00 0.00 C ATOM 1267 CD LYS A 84 6.281 -6.666 12.175 1.00 0.00 C ATOM 1268 CE LYS A 84 5.014 -6.825 13.014 1.00 0.00 C ATOM 1269 NZ LYS A 84 5.133 -7.934 13.982 1.00 0.00 N ATOM 0 H LYS A 84 6.624 -8.131 6.951 1.00 0.00 H new ATOM 0 HA LYS A 84 7.380 -9.074 9.481 1.00 0.00 H new ATOM 0 HB2 LYS A 84 6.775 -6.475 9.578 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.183 -7.206 9.645 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.838 -8.653 11.503 1.00 0.00 H new ATOM 0 HG3 LYS A 84 7.523 -8.200 11.337 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.142 -6.568 12.837 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.217 -5.744 11.597 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.813 -5.896 13.548 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.163 -7.006 12.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.186 -8.301 14.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.710 -8.695 13.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.587 -7.588 14.852 1.00 0.00 H new ATOM 1283 N GLN A 85 5.363 -10.435 9.130 1.00 0.00 N ATOM 1284 CA GLN A 85 4.421 -11.508 8.821 1.00 0.00 C ATOM 1285 C GLN A 85 3.365 -11.665 9.891 1.00 0.00 C ATOM 1286 O GLN A 85 2.171 -11.597 9.613 1.00 0.00 O ATOM 1287 CB GLN A 85 5.087 -12.758 8.367 1.00 0.00 C ATOM 1288 CG GLN A 85 4.890 -13.115 6.884 1.00 0.00 C ATOM 1289 CD GLN A 85 5.835 -14.218 6.410 1.00 0.00 C ATOM 1290 OE1 GLN A 85 6.028 -15.228 7.075 1.00 0.00 O ATOM 1291 NE2 GLN A 85 6.451 -14.051 5.250 1.00 0.00 N ATOM 0 H GLN A 85 5.758 -10.514 10.067 1.00 0.00 H new ATOM 0 HA GLN A 85 3.855 -11.207 7.939 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.156 -12.671 8.562 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.719 -13.586 8.973 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.859 -13.433 6.725 1.00 0.00 H new ATOM 0 HG3 GLN A 85 5.046 -12.223 6.277 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.285 -13.207 4.701 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.091 -14.766 4.905 1.00 0.00 H new ATOM 1300 N GLY A 86 3.847 -11.774 11.118 1.00 0.00 N ATOM 1301 CA GLY A 86 3.104 -11.538 12.338 1.00 0.00 C ATOM 1302 C GLY A 86 3.919 -10.583 13.185 1.00 0.00 C ATOM 1303 O GLY A 86 3.340 -9.879 14.035 1.00 0.00 O ATOM 1304 OXT GLY A 86 5.139 -10.454 12.928 1.00 0.00 O ATOM 0 H GLY A 86 4.815 -12.043 11.295 1.00 0.00 H new ATOM 0 HA2 GLY A 86 2.125 -11.114 12.115 1.00 0.00 H new ATOM 0 HA3 GLY A 86 2.933 -12.473 12.871 1.00 0.00 H new