USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 636 hydrogens (7 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 NoAdj-H: A 15 HIP H2 : A 15 HIP N : A 14 ILE C :(H bumps) USER MOD NoAdj-H: A 15 HIP H : A 15 HIP N : A 14 ILE C :(H bumps) USER MOD Set 1.1: A 25 THR OG1 : rot 74:sc= 0.337 USER MOD Set 1.2: A 80 THR OG1 : rot 74:sc= 0.385 USER MOD Set 2.1: A 34 ASN : amide:sc= -1.84 K(o=-4.6,f=-9.5!) USER MOD Set 2.2: A 43 ASN : amide:sc= -2.8 K(o=-4.6,f=-7.9!) USER MOD Single : A 3 GLN : amide:sc= -0.0716 X(o=-0.072,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -159:sc= -0.013 (180deg=-0.17) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 161:sc=-0.00718 (180deg=-0.654) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0241 USER MOD Single : A 20 THR OG1 : rot 81:sc= 0.847 USER MOD Single : A 24 GLN : amide:sc= -0.268 K(o=-0.27,f=-1.5!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 165:sc= -0.492 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.148 X(o=-0.15,f=-0.17) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.061 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -94:sc= 1.25 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 48:sc= 0.0731 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0107 X(o=-0.011,f=0) USER MOD Single : A 75 ASN : amide:sc= -4.12 K(o=-4.1,f=-17!) USER MOD Single : A 81 MET CE :methyl 172:sc= -1.11 (180deg=-1.52) USER MOD Single : A 82 LYS NZ :NH3+ -150:sc= -0.167 (180deg=-1.29!) USER MOD Single : A 83 SER OG : rot 150:sc= -0.965 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -6.454 -9.384 -9.358 1.00 0.00 N ATOM 2 CA ALA A 2 -6.650 -9.011 -7.928 1.00 0.00 C ATOM 3 C ALA A 2 -5.757 -7.817 -7.586 1.00 0.00 C ATOM 4 O ALA A 2 -5.293 -7.680 -6.469 1.00 0.00 O ATOM 5 CB ALA A 2 -6.277 -10.197 -7.037 1.00 0.00 C ATOM 0 HA ALA A 2 -7.694 -8.744 -7.761 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.420 -9.925 -5.991 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.912 -11.049 -7.281 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -5.233 -10.463 -7.203 1.00 0.00 H new ATOM 13 N GLN A 3 -5.515 -6.956 -8.540 1.00 0.00 N ATOM 14 CA GLN A 3 -4.653 -5.764 -8.281 1.00 0.00 C ATOM 15 C GLN A 3 -5.507 -4.498 -8.312 1.00 0.00 C ATOM 16 O GLN A 3 -6.524 -4.441 -8.979 1.00 0.00 O ATOM 17 CB GLN A 3 -3.565 -5.668 -9.355 1.00 0.00 C ATOM 18 CG GLN A 3 -4.197 -5.767 -10.746 1.00 0.00 C ATOM 19 CD GLN A 3 -3.367 -4.958 -11.743 1.00 0.00 C ATOM 20 OE1 GLN A 3 -2.832 -5.502 -12.690 1.00 0.00 O ATOM 21 NE2 GLN A 3 -3.234 -3.671 -11.571 1.00 0.00 N ATOM 0 H GLN A 3 -5.878 -7.027 -9.490 1.00 0.00 H new ATOM 0 HA GLN A 3 -4.187 -5.866 -7.301 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -3.027 -4.725 -9.257 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -2.836 -6.467 -9.219 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -4.248 -6.809 -11.060 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -5.220 -5.392 -10.720 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -3.682 -3.214 -10.777 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -2.682 -3.123 -12.230 1.00 0.00 H new ATOM 30 N LYS A 4 -5.097 -3.482 -7.597 1.00 0.00 N ATOM 31 CA LYS A 4 -5.879 -2.211 -7.580 1.00 0.00 C ATOM 32 C LYS A 4 -4.920 -1.020 -7.538 1.00 0.00 C ATOM 33 O LYS A 4 -3.891 -1.065 -6.889 1.00 0.00 O ATOM 34 CB LYS A 4 -6.784 -2.182 -6.347 1.00 0.00 C ATOM 35 CG LYS A 4 -7.824 -1.070 -6.504 1.00 0.00 C ATOM 36 CD LYS A 4 -8.969 -1.296 -5.515 1.00 0.00 C ATOM 37 CE LYS A 4 -10.058 -2.142 -6.178 1.00 0.00 C ATOM 38 NZ LYS A 4 -10.837 -1.295 -7.127 1.00 0.00 N ATOM 0 H LYS A 4 -4.253 -3.478 -7.024 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.491 -2.152 -8.480 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.281 -3.145 -6.224 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.189 -2.014 -5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -7.363 -0.099 -6.326 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.208 -1.058 -7.524 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -8.598 -1.798 -4.621 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -9.381 -0.339 -5.195 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.609 -2.982 -6.708 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.720 -2.561 -5.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.763 -1.734 -7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.975 -0.350 -6.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.317 -1.210 -8.024 1.00 0.00 H new ATOM 52 N THR A 5 -5.254 0.043 -8.224 1.00 0.00 N ATOM 53 CA THR A 5 -4.371 1.244 -8.231 1.00 0.00 C ATOM 54 C THR A 5 -4.851 2.233 -7.167 1.00 0.00 C ATOM 55 O THR A 5 -6.015 2.584 -7.117 1.00 0.00 O ATOM 56 CB THR A 5 -4.423 1.910 -9.609 1.00 0.00 C ATOM 57 OG1 THR A 5 -4.202 0.931 -10.614 1.00 0.00 O ATOM 58 CG2 THR A 5 -3.344 2.990 -9.697 1.00 0.00 C ATOM 0 H THR A 5 -6.104 0.129 -8.781 1.00 0.00 H new ATOM 0 HA THR A 5 -3.346 0.943 -8.013 1.00 0.00 H new ATOM 0 HB THR A 5 -5.402 2.367 -9.756 1.00 0.00 H new ATOM 0 HG1 THR A 5 -4.237 1.355 -11.497 1.00 0.00 H new ATOM 0 HG21 THR A 5 -3.382 3.463 -10.678 1.00 0.00 H new ATOM 0 HG22 THR A 5 -3.516 3.740 -8.925 1.00 0.00 H new ATOM 0 HG23 THR A 5 -2.363 2.537 -9.550 1.00 0.00 H new ATOM 66 N PHE A 6 -3.962 2.681 -6.317 1.00 0.00 N ATOM 67 CA PHE A 6 -4.358 3.646 -5.251 1.00 0.00 C ATOM 68 C PHE A 6 -3.697 4.998 -5.513 1.00 0.00 C ATOM 69 O PHE A 6 -2.642 5.078 -6.116 1.00 0.00 O ATOM 70 CB PHE A 6 -3.908 3.113 -3.891 1.00 0.00 C ATOM 71 CG PHE A 6 -4.714 1.885 -3.546 1.00 0.00 C ATOM 72 CD1 PHE A 6 -4.335 0.635 -4.050 1.00 0.00 C ATOM 73 CD2 PHE A 6 -5.842 1.997 -2.727 1.00 0.00 C ATOM 74 CE1 PHE A 6 -5.086 -0.504 -3.735 1.00 0.00 C ATOM 75 CE2 PHE A 6 -6.593 0.858 -2.412 1.00 0.00 C ATOM 76 CZ PHE A 6 -6.214 -0.392 -2.916 1.00 0.00 C ATOM 0 H PHE A 6 -2.976 2.418 -6.317 1.00 0.00 H new ATOM 0 HA PHE A 6 -5.441 3.767 -5.255 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.846 2.870 -3.916 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -4.042 3.877 -3.125 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.463 0.549 -4.682 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -6.134 2.961 -2.338 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -4.794 -1.468 -4.124 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -7.465 0.944 -1.780 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.793 -1.270 -2.672 1.00 0.00 H new ATOM 86 N LYS A 7 -4.311 6.061 -5.061 1.00 0.00 N ATOM 87 CA LYS A 7 -3.728 7.417 -5.275 1.00 0.00 C ATOM 88 C LYS A 7 -3.374 8.032 -3.920 1.00 0.00 C ATOM 89 O LYS A 7 -4.235 8.276 -3.096 1.00 0.00 O ATOM 90 CB LYS A 7 -4.750 8.306 -5.987 1.00 0.00 C ATOM 91 CG LYS A 7 -4.806 7.933 -7.470 1.00 0.00 C ATOM 92 CD LYS A 7 -3.599 8.532 -8.193 1.00 0.00 C ATOM 93 CE LYS A 7 -3.938 9.949 -8.663 1.00 0.00 C ATOM 94 NZ LYS A 7 -3.145 10.271 -9.883 1.00 0.00 N ATOM 0 H LYS A 7 -5.194 6.047 -4.551 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.830 7.337 -5.887 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.733 8.183 -5.533 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.476 9.355 -5.875 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.810 6.849 -7.583 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.730 8.303 -7.914 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.737 8.555 -7.527 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.327 7.910 -9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.004 10.027 -8.878 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.719 10.668 -7.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.587 11.069 -10.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.175 10.528 -9.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.119 9.441 -10.509 1.00 0.00 H new ATOM 108 N VAL A 8 -2.110 8.279 -3.685 1.00 0.00 N ATOM 109 CA VAL A 8 -1.686 8.875 -2.383 1.00 0.00 C ATOM 110 C VAL A 8 -2.037 10.364 -2.369 1.00 0.00 C ATOM 111 O VAL A 8 -1.559 11.130 -3.184 1.00 0.00 O ATOM 112 CB VAL A 8 -0.173 8.708 -2.200 1.00 0.00 C ATOM 113 CG1 VAL A 8 0.205 9.044 -0.757 1.00 0.00 C ATOM 114 CG2 VAL A 8 0.231 7.261 -2.501 1.00 0.00 C ATOM 0 H VAL A 8 -1.352 8.093 -4.341 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.204 8.366 -1.570 1.00 0.00 H new ATOM 0 HB VAL A 8 0.346 9.379 -2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.281 8.926 -0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.076 10.074 -0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.320 8.372 -0.078 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.307 7.149 -2.369 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.290 6.589 -1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.036 7.015 -3.529 1.00 0.00 H new ATOM 124 N THR A 9 -2.872 10.775 -1.448 1.00 0.00 N ATOM 125 CA THR A 9 -3.264 12.214 -1.372 1.00 0.00 C ATOM 126 C THR A 9 -2.794 12.826 -0.043 1.00 0.00 C ATOM 127 O THR A 9 -2.767 14.033 0.110 1.00 0.00 O ATOM 128 CB THR A 9 -4.787 12.330 -1.472 1.00 0.00 C ATOM 129 OG1 THR A 9 -5.255 11.490 -2.519 1.00 0.00 O ATOM 130 CG2 THR A 9 -5.172 13.780 -1.768 1.00 0.00 C ATOM 0 H THR A 9 -3.300 10.174 -0.744 1.00 0.00 H new ATOM 0 HA THR A 9 -2.795 12.752 -2.195 1.00 0.00 H new ATOM 0 HB THR A 9 -5.239 12.023 -0.529 1.00 0.00 H new ATOM 0 HG1 THR A 9 -6.230 11.561 -2.584 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.257 13.861 -1.839 1.00 0.00 H new ATOM 0 HG22 THR A 9 -4.812 14.423 -0.965 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.722 14.091 -2.711 1.00 0.00 H new ATOM 138 N ALA A 10 -2.429 12.010 0.921 1.00 0.00 N ATOM 139 CA ALA A 10 -1.967 12.551 2.237 1.00 0.00 C ATOM 140 C ALA A 10 -0.746 13.453 2.030 1.00 0.00 C ATOM 141 O ALA A 10 0.069 13.219 1.158 1.00 0.00 O ATOM 142 CB ALA A 10 -1.591 11.390 3.160 1.00 0.00 C ATOM 0 H ALA A 10 -2.432 10.992 0.850 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.771 13.133 2.688 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.254 11.782 4.119 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.461 10.751 3.314 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.790 10.808 2.705 1.00 0.00 H new ATOM 148 N ASP A 11 -0.620 14.482 2.830 1.00 0.00 N ATOM 149 CA ASP A 11 0.543 15.408 2.692 1.00 0.00 C ATOM 150 C ASP A 11 1.839 14.651 2.989 1.00 0.00 C ATOM 151 O ASP A 11 2.789 14.709 2.231 1.00 0.00 O ATOM 152 CB ASP A 11 0.391 16.566 3.680 1.00 0.00 C ATOM 153 CG ASP A 11 -0.409 17.693 3.026 1.00 0.00 C ATOM 154 OD1 ASP A 11 -1.434 17.398 2.431 1.00 0.00 O ATOM 155 OD2 ASP A 11 0.015 18.832 3.129 1.00 0.00 O ATOM 0 H ASP A 11 -1.275 14.720 3.575 1.00 0.00 H new ATOM 0 HA ASP A 11 0.577 15.799 1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.114 16.224 4.583 1.00 0.00 H new ATOM 0 HB3 ASP A 11 1.372 16.931 3.983 1.00 0.00 H new ATOM 160 N SER A 12 1.884 13.943 4.089 1.00 0.00 N ATOM 161 CA SER A 12 3.115 13.179 4.446 1.00 0.00 C ATOM 162 C SER A 12 3.376 12.106 3.387 1.00 0.00 C ATOM 163 O SER A 12 4.508 11.749 3.120 1.00 0.00 O ATOM 164 CB SER A 12 2.925 12.513 5.809 1.00 0.00 C ATOM 165 OG SER A 12 1.593 12.028 5.914 1.00 0.00 O ATOM 0 H SER A 12 1.117 13.862 4.757 1.00 0.00 H new ATOM 0 HA SER A 12 3.964 13.861 4.490 1.00 0.00 H new ATOM 0 HB2 SER A 12 3.633 11.693 5.928 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.128 13.227 6.607 1.00 0.00 H new ATOM 0 HG SER A 12 1.469 11.599 6.786 1.00 0.00 H new ATOM 171 N GLY A 13 2.335 11.589 2.784 1.00 0.00 N ATOM 172 CA GLY A 13 2.512 10.538 1.741 1.00 0.00 C ATOM 173 C GLY A 13 2.470 9.156 2.398 1.00 0.00 C ATOM 174 O GLY A 13 1.662 8.900 3.270 1.00 0.00 O ATOM 0 H GLY A 13 1.367 11.852 2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.726 10.620 0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.462 10.679 1.225 1.00 0.00 H new ATOM 178 N ILE A 14 3.336 8.267 1.983 1.00 0.00 N ATOM 179 CA ILE A 14 3.354 6.898 2.577 1.00 0.00 C ATOM 180 C ILE A 14 4.740 6.611 3.160 1.00 0.00 C ATOM 181 O ILE A 14 5.619 6.122 2.475 1.00 0.00 O ATOM 182 CB ILE A 14 3.036 5.865 1.494 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.725 6.243 0.798 1.00 0.00 C ATOM 184 CG2 ILE A 14 2.892 4.482 2.133 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.480 5.298 -0.380 1.00 0.00 C ATOM 0 H ILE A 14 4.033 8.432 1.256 1.00 0.00 H new ATOM 0 HA ILE A 14 2.606 6.838 3.368 1.00 0.00 H new ATOM 0 HB ILE A 14 3.844 5.845 0.763 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.896 6.184 1.504 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.772 7.274 0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.665 3.746 1.361 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.824 4.212 2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.084 4.501 2.864 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.547 5.568 -0.875 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.304 5.380 -1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.415 4.273 -0.016 1.00 0.00 H new HETATM 197 N HIP A 15 4.938 6.911 4.419 1.00 0.00 N HETATM 198 CA HIP A 15 6.262 6.657 5.052 1.00 0.00 C HETATM 199 CB HIP A 15 6.767 7.939 5.743 1.00 0.00 C HETATM 200 CG HIP A 15 5.870 8.372 6.877 1.00 0.00 C HETATM 201 CD2 HIP A 15 4.560 8.777 6.891 1.00 0.00 C HETATM 202 NE2 HIP A 15 4.189 9.119 8.180 1.00 0.00 N HETATM 203 CE1 HIP A 15 5.270 8.920 8.930 1.00 0.00 C HETATM 204 ND1 HIP A 15 6.317 8.471 8.200 1.00 0.00 N HETATM 205 P HIP A 15 7.748 8.523 8.628 1.00 0.00 P HETATM 206 O1P HIP A 15 8.579 9.147 7.574 1.00 0.00 O HETATM 207 O2P HIP A 15 8.241 7.161 8.932 1.00 0.00 O HETATM 208 O3P HIP A 15 7.699 9.366 9.848 1.00 0.00 O HETATM 209 C HIP A 15 6.148 5.477 6.032 1.00 0.00 C HETATM 210 O HIP A 15 5.310 4.614 5.864 1.00 0.00 O HETATM 0 HE2 HIP A 15 3.277 9.454 8.490 1.00 0.00 H new HETATM 0 HE1 HIP A 15 5.308 9.098 10.005 1.00 0.00 H new HETATM 0 HD2 HIP A 15 3.909 8.823 6.018 1.00 0.00 H new HETATM 0 HB3 HIP A 15 7.774 7.771 6.124 1.00 0.00 H new HETATM 0 HB2 HIP A 15 6.834 8.742 5.009 1.00 0.00 H new HETATM 0 HA HIP A 15 6.994 6.386 4.291 1.00 0.00 H new ATOM 218 N ALA A 16 7.006 5.405 7.018 1.00 0.00 N ATOM 219 CA ALA A 16 6.975 4.252 7.976 1.00 0.00 C ATOM 220 C ALA A 16 5.621 4.128 8.695 1.00 0.00 C ATOM 221 O ALA A 16 5.179 3.031 8.979 1.00 0.00 O ATOM 222 CB ALA A 16 8.081 4.434 9.015 1.00 0.00 C ATOM 0 H ALA A 16 7.731 6.098 7.204 1.00 0.00 H new ATOM 0 HA ALA A 16 7.129 3.339 7.401 1.00 0.00 H new ATOM 0 HB1 ALA A 16 8.064 3.599 9.715 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.049 4.468 8.514 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.920 5.365 9.558 1.00 0.00 H new ATOM 228 N ARG A 17 4.968 5.221 9.015 1.00 0.00 N ATOM 229 CA ARG A 17 3.656 5.122 9.742 1.00 0.00 C ATOM 230 C ARG A 17 2.646 4.288 8.925 1.00 0.00 C ATOM 231 O ARG A 17 2.189 3.265 9.400 1.00 0.00 O ATOM 232 CB ARG A 17 3.090 6.521 9.999 1.00 0.00 C ATOM 233 CG ARG A 17 3.468 6.978 11.410 1.00 0.00 C ATOM 234 CD ARG A 17 2.386 7.917 11.949 1.00 0.00 C ATOM 235 NE ARG A 17 2.357 9.162 11.131 1.00 0.00 N ATOM 236 CZ ARG A 17 1.221 9.760 10.893 1.00 0.00 C ATOM 237 NH1 ARG A 17 0.491 9.392 9.876 1.00 0.00 N ATOM 238 NH2 ARG A 17 0.815 10.724 11.673 1.00 0.00 N ATOM 0 H ARG A 17 5.281 6.169 8.808 1.00 0.00 H new ATOM 0 HA ARG A 17 3.827 4.625 10.697 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.480 7.223 9.262 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.006 6.512 9.887 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.576 6.115 12.067 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.431 7.488 11.393 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.414 7.425 11.917 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.587 8.159 12.993 1.00 0.00 H new ATOM 0 HE ARG A 17 3.224 9.547 10.757 1.00 0.00 H new ATOM 0 HH11 ARG A 17 0.808 8.637 9.267 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.397 9.859 9.690 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.385 11.011 12.469 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -0.072 11.191 11.487 1.00 0.00 H new ATOM 252 N PRO A 18 2.320 4.719 7.717 1.00 0.00 N ATOM 253 CA PRO A 18 1.372 3.974 6.867 1.00 0.00 C ATOM 254 C PRO A 18 2.004 2.668 6.366 1.00 0.00 C ATOM 255 O PRO A 18 1.313 1.775 5.911 1.00 0.00 O ATOM 256 CB PRO A 18 1.077 4.935 5.710 1.00 0.00 C ATOM 257 CG PRO A 18 2.260 5.924 5.660 1.00 0.00 C ATOM 258 CD PRO A 18 2.856 5.949 7.079 1.00 0.00 C ATOM 0 HA PRO A 18 0.467 3.679 7.397 1.00 0.00 H new ATOM 0 HB2 PRO A 18 0.982 4.394 4.769 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.136 5.461 5.871 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.004 5.605 4.930 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.925 6.917 5.360 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.946 5.943 7.054 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.554 6.844 7.623 1.00 0.00 H new ATOM 266 N ALA A 19 3.306 2.544 6.459 1.00 0.00 N ATOM 267 CA ALA A 19 3.979 1.294 6.006 1.00 0.00 C ATOM 268 C ALA A 19 3.786 0.205 7.066 1.00 0.00 C ATOM 269 O ALA A 19 3.806 -0.973 6.766 1.00 0.00 O ATOM 270 CB ALA A 19 5.473 1.560 5.812 1.00 0.00 C ATOM 0 H ALA A 19 3.931 3.259 6.831 1.00 0.00 H new ATOM 0 HA ALA A 19 3.545 0.966 5.061 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.965 0.646 5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.610 2.338 5.061 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.910 1.886 6.756 1.00 0.00 H new ATOM 276 N THR A 20 3.592 0.593 8.306 1.00 0.00 N ATOM 277 CA THR A 20 3.389 -0.411 9.389 1.00 0.00 C ATOM 278 C THR A 20 1.918 -0.832 9.410 1.00 0.00 C ATOM 279 O THR A 20 1.589 -1.951 9.757 1.00 0.00 O ATOM 280 CB THR A 20 3.759 0.209 10.739 1.00 0.00 C ATOM 281 OG1 THR A 20 4.813 1.144 10.557 1.00 0.00 O ATOM 282 CG2 THR A 20 4.212 -0.891 11.700 1.00 0.00 C ATOM 0 H THR A 20 3.566 1.566 8.611 1.00 0.00 H new ATOM 0 HA THR A 20 4.020 -1.280 9.206 1.00 0.00 H new ATOM 0 HB THR A 20 2.890 0.718 11.155 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.445 1.994 10.238 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.475 -0.449 12.661 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.403 -1.608 11.840 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.081 -1.401 11.285 1.00 0.00 H new ATOM 290 N VAL A 21 1.035 0.057 9.033 1.00 0.00 N ATOM 291 CA VAL A 21 -0.419 -0.280 9.020 1.00 0.00 C ATOM 292 C VAL A 21 -0.707 -1.195 7.835 1.00 0.00 C ATOM 293 O VAL A 21 -1.525 -2.092 7.905 1.00 0.00 O ATOM 294 CB VAL A 21 -1.241 0.996 8.862 1.00 0.00 C ATOM 295 CG1 VAL A 21 -2.722 0.681 9.085 1.00 0.00 C ATOM 296 CG2 VAL A 21 -0.785 2.042 9.885 1.00 0.00 C ATOM 0 H VAL A 21 1.260 1.005 8.733 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.683 -0.775 9.955 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.097 1.390 7.856 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.309 1.593 8.972 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.052 -0.056 8.352 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.862 0.282 10.090 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.377 2.950 9.766 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.922 1.649 10.893 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.268 2.272 9.725 1.00 0.00 H new ATOM 306 N LEU A 22 -0.039 -0.953 6.742 1.00 0.00 N ATOM 307 CA LEU A 22 -0.254 -1.774 5.521 1.00 0.00 C ATOM 308 C LEU A 22 0.414 -3.143 5.675 1.00 0.00 C ATOM 309 O LEU A 22 -0.164 -4.160 5.346 1.00 0.00 O ATOM 310 CB LEU A 22 0.353 -1.036 4.331 1.00 0.00 C ATOM 311 CG LEU A 22 -0.404 0.271 4.098 1.00 0.00 C ATOM 312 CD1 LEU A 22 0.398 1.147 3.134 1.00 0.00 C ATOM 313 CD2 LEU A 22 -1.775 -0.034 3.487 1.00 0.00 C ATOM 0 H LEU A 22 0.655 -0.212 6.643 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.322 -1.928 5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.407 -0.829 4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.304 -1.661 3.439 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.539 0.792 5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.135 2.082 2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.376 1.361 3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.526 0.623 2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.315 0.898 3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.643 -0.551 2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.344 -0.666 4.168 1.00 0.00 H new ATOM 325 N VAL A 23 1.629 -3.179 6.165 1.00 0.00 N ATOM 326 CA VAL A 23 2.338 -4.485 6.330 1.00 0.00 C ATOM 327 C VAL A 23 1.547 -5.385 7.290 1.00 0.00 C ATOM 328 O VAL A 23 1.596 -6.598 7.196 1.00 0.00 O ATOM 329 CB VAL A 23 3.753 -4.234 6.877 1.00 0.00 C ATOM 330 CG1 VAL A 23 3.670 -3.545 8.241 1.00 0.00 C ATOM 331 CG2 VAL A 23 4.496 -5.567 7.025 1.00 0.00 C ATOM 0 H VAL A 23 2.160 -2.359 6.458 1.00 0.00 H new ATOM 0 HA VAL A 23 2.415 -4.985 5.364 1.00 0.00 H new ATOM 0 HB VAL A 23 4.293 -3.592 6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.676 -3.370 8.622 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.151 -2.592 8.136 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.123 -4.181 8.937 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.498 -5.384 7.413 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.952 -6.212 7.715 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.567 -6.054 6.052 1.00 0.00 H new ATOM 341 N GLN A 24 0.826 -4.799 8.212 1.00 0.00 N ATOM 342 CA GLN A 24 0.034 -5.613 9.181 1.00 0.00 C ATOM 343 C GLN A 24 -1.197 -6.195 8.481 1.00 0.00 C ATOM 344 O GLN A 24 -1.604 -7.310 8.754 1.00 0.00 O ATOM 345 CB GLN A 24 -0.412 -4.725 10.346 1.00 0.00 C ATOM 346 CG GLN A 24 0.805 -4.302 11.177 1.00 0.00 C ATOM 347 CD GLN A 24 0.827 -5.074 12.500 1.00 0.00 C ATOM 348 OE1 GLN A 24 -0.210 -5.370 13.060 1.00 0.00 O ATOM 349 NE2 GLN A 24 1.973 -5.414 13.025 1.00 0.00 N ATOM 0 H GLN A 24 0.752 -3.789 8.335 1.00 0.00 H new ATOM 0 HA GLN A 24 0.652 -6.428 9.559 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -0.927 -3.843 9.966 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.122 -5.263 10.974 1.00 0.00 H new ATOM 0 HG2 GLN A 24 1.722 -4.493 10.619 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.768 -3.230 11.372 1.00 0.00 H new ATOM 0 HE21 GLN A 24 2.843 -5.165 12.555 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.998 -5.928 13.906 1.00 0.00 H new ATOM 358 N THR A 25 -1.796 -5.448 7.587 1.00 0.00 N ATOM 359 CA THR A 25 -3.007 -5.952 6.870 1.00 0.00 C ATOM 360 C THR A 25 -2.622 -7.117 5.955 1.00 0.00 C ATOM 361 O THR A 25 -3.120 -8.216 6.100 1.00 0.00 O ATOM 362 CB THR A 25 -3.611 -4.821 6.034 1.00 0.00 C ATOM 363 OG1 THR A 25 -3.655 -3.633 6.810 1.00 0.00 O ATOM 364 CG2 THR A 25 -5.026 -5.204 5.602 1.00 0.00 C ATOM 0 H THR A 25 -1.498 -4.509 7.323 1.00 0.00 H new ATOM 0 HA THR A 25 -3.739 -6.298 7.599 1.00 0.00 H new ATOM 0 HB THR A 25 -2.997 -4.654 5.149 1.00 0.00 H new ATOM 0 HG1 THR A 25 -2.751 -3.266 6.897 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.455 -4.398 5.007 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.990 -6.116 5.006 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.643 -5.372 6.485 1.00 0.00 H new ATOM 372 N ALA A 26 -1.743 -6.884 5.012 1.00 0.00 N ATOM 373 CA ALA A 26 -1.322 -7.976 4.082 1.00 0.00 C ATOM 374 C ALA A 26 -0.714 -9.140 4.876 1.00 0.00 C ATOM 375 O ALA A 26 -0.667 -10.259 4.404 1.00 0.00 O ATOM 376 CB ALA A 26 -0.282 -7.438 3.100 1.00 0.00 C ATOM 0 H ALA A 26 -1.298 -5.981 4.846 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.196 -8.332 3.536 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.025 -8.235 2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.714 -6.619 2.525 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.586 -7.076 3.651 1.00 0.00 H new ATOM 382 N SER A 27 -0.247 -8.886 6.079 1.00 0.00 N ATOM 383 CA SER A 27 0.358 -9.980 6.903 1.00 0.00 C ATOM 384 C SER A 27 -0.657 -11.112 7.086 1.00 0.00 C ATOM 385 O SER A 27 -0.311 -12.278 7.051 1.00 0.00 O ATOM 386 CB SER A 27 0.751 -9.425 8.272 1.00 0.00 C ATOM 387 OG SER A 27 1.288 -10.473 9.068 1.00 0.00 O ATOM 0 H SER A 27 -0.260 -7.968 6.523 1.00 0.00 H new ATOM 0 HA SER A 27 1.242 -10.367 6.396 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.485 -8.628 8.157 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.119 -8.989 8.763 1.00 0.00 H new ATOM 0 HG SER A 27 1.542 -10.120 9.946 1.00 0.00 H new ATOM 393 N LYS A 28 -1.908 -10.773 7.275 1.00 0.00 N ATOM 394 CA LYS A 28 -2.953 -11.821 7.455 1.00 0.00 C ATOM 395 C LYS A 28 -3.192 -12.536 6.122 1.00 0.00 C ATOM 396 O LYS A 28 -3.542 -13.701 6.088 1.00 0.00 O ATOM 397 CB LYS A 28 -4.257 -11.168 7.924 1.00 0.00 C ATOM 398 CG LYS A 28 -4.139 -10.785 9.405 1.00 0.00 C ATOM 399 CD LYS A 28 -3.882 -9.281 9.531 1.00 0.00 C ATOM 400 CE LYS A 28 -3.412 -8.959 10.952 1.00 0.00 C ATOM 401 NZ LYS A 28 -3.761 -7.549 11.285 1.00 0.00 N ATOM 0 H LYS A 28 -2.249 -9.812 7.312 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.619 -12.542 8.201 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.468 -10.282 7.325 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.091 -11.855 7.781 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.054 -11.053 9.934 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -3.327 -11.343 9.871 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.128 -8.969 8.808 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.792 -8.726 9.303 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -3.881 -9.638 11.664 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.335 -9.107 11.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.441 -7.331 12.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -3.294 -6.908 10.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.792 -7.423 11.225 1.00 0.00 H new ATOM 415 N TYR A 29 -3.005 -11.844 5.024 1.00 0.00 N ATOM 416 CA TYR A 29 -3.219 -12.476 3.688 1.00 0.00 C ATOM 417 C TYR A 29 -1.896 -13.048 3.176 1.00 0.00 C ATOM 418 O TYR A 29 -0.903 -12.351 3.083 1.00 0.00 O ATOM 419 CB TYR A 29 -3.746 -11.429 2.704 1.00 0.00 C ATOM 420 CG TYR A 29 -4.999 -10.807 3.272 1.00 0.00 C ATOM 421 CD1 TYR A 29 -6.219 -11.489 3.185 1.00 0.00 C ATOM 422 CD2 TYR A 29 -4.943 -9.553 3.890 1.00 0.00 C ATOM 423 CE1 TYR A 29 -7.381 -10.918 3.715 1.00 0.00 C ATOM 424 CE2 TYR A 29 -6.106 -8.981 4.422 1.00 0.00 C ATOM 425 CZ TYR A 29 -7.325 -9.664 4.334 1.00 0.00 C ATOM 426 OH TYR A 29 -8.472 -9.102 4.857 1.00 0.00 O ATOM 0 H TYR A 29 -2.713 -10.867 4.997 1.00 0.00 H new ATOM 0 HA TYR A 29 -3.948 -13.281 3.779 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -2.991 -10.662 2.530 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.959 -11.892 1.740 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.263 -12.457 2.708 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.003 -9.026 3.957 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -8.321 -11.445 3.646 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.062 -8.013 4.900 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.231 -8.361 5.452 1.00 0.00 H new ATOM 436 N ASP A 30 -1.878 -14.314 2.846 1.00 0.00 N ATOM 437 CA ASP A 30 -0.624 -14.946 2.341 1.00 0.00 C ATOM 438 C ASP A 30 -0.441 -14.663 0.842 1.00 0.00 C ATOM 439 O ASP A 30 0.502 -15.136 0.234 1.00 0.00 O ATOM 440 CB ASP A 30 -0.697 -16.458 2.564 1.00 0.00 C ATOM 441 CG ASP A 30 -0.965 -16.744 4.042 1.00 0.00 C ATOM 442 OD1 ASP A 30 -0.175 -16.308 4.863 1.00 0.00 O ATOM 443 OD2 ASP A 30 -1.957 -17.393 4.329 1.00 0.00 O ATOM 0 H ASP A 30 -2.682 -14.939 2.905 1.00 0.00 H new ATOM 0 HA ASP A 30 0.224 -14.527 2.883 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.488 -16.889 1.950 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.237 -16.927 2.256 1.00 0.00 H new ATOM 448 N ALA A 31 -1.323 -13.898 0.237 1.00 0.00 N ATOM 449 CA ALA A 31 -1.181 -13.597 -1.217 1.00 0.00 C ATOM 450 C ALA A 31 0.113 -12.817 -1.454 1.00 0.00 C ATOM 451 O ALA A 31 0.854 -12.535 -0.531 1.00 0.00 O ATOM 452 CB ALA A 31 -2.375 -12.761 -1.684 1.00 0.00 C ATOM 0 H ALA A 31 -2.131 -13.472 0.691 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.149 -14.530 -1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.272 -12.541 -2.747 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.297 -13.318 -1.517 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.408 -11.828 -1.122 1.00 0.00 H new ATOM 458 N ASP A 32 0.388 -12.468 -2.685 1.00 0.00 N ATOM 459 CA ASP A 32 1.631 -11.703 -2.992 1.00 0.00 C ATOM 460 C ASP A 32 1.265 -10.263 -3.355 1.00 0.00 C ATOM 461 O ASP A 32 1.204 -9.900 -4.514 1.00 0.00 O ATOM 462 CB ASP A 32 2.361 -12.360 -4.167 1.00 0.00 C ATOM 463 CG ASP A 32 2.956 -13.695 -3.715 1.00 0.00 C ATOM 464 OD1 ASP A 32 4.017 -13.675 -3.114 1.00 0.00 O ATOM 465 OD2 ASP A 32 2.339 -14.715 -3.977 1.00 0.00 O ATOM 0 H ASP A 32 -0.198 -12.681 -3.492 1.00 0.00 H new ATOM 0 HA ASP A 32 2.283 -11.703 -2.118 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.670 -12.519 -4.995 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.150 -11.703 -4.532 1.00 0.00 H new ATOM 470 N VAL A 33 1.022 -9.443 -2.366 1.00 0.00 N ATOM 471 CA VAL A 33 0.656 -8.021 -2.633 1.00 0.00 C ATOM 472 C VAL A 33 1.933 -7.173 -2.694 1.00 0.00 C ATOM 473 O VAL A 33 2.613 -6.988 -1.702 1.00 0.00 O ATOM 474 CB VAL A 33 -0.263 -7.517 -1.509 1.00 0.00 C ATOM 475 CG1 VAL A 33 -1.552 -8.352 -1.488 1.00 0.00 C ATOM 476 CG2 VAL A 33 0.451 -7.643 -0.154 1.00 0.00 C ATOM 0 H VAL A 33 1.062 -9.699 -1.379 1.00 0.00 H new ATOM 0 HA VAL A 33 0.131 -7.942 -3.585 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.508 -6.470 -1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.204 -7.995 -0.691 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.064 -8.256 -2.446 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.305 -9.399 -1.312 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.206 -7.284 0.638 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.703 -8.688 0.029 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.363 -7.047 -0.167 1.00 0.00 H new ATOM 486 N ASN A 34 2.265 -6.669 -3.856 1.00 0.00 N ATOM 487 CA ASN A 34 3.503 -5.844 -3.995 1.00 0.00 C ATOM 488 C ASN A 34 3.146 -4.444 -4.501 1.00 0.00 C ATOM 489 O ASN A 34 2.381 -4.286 -5.434 1.00 0.00 O ATOM 490 CB ASN A 34 4.450 -6.514 -4.991 1.00 0.00 C ATOM 491 CG ASN A 34 4.939 -7.844 -4.417 1.00 0.00 C ATOM 492 OD1 ASN A 34 5.022 -8.007 -3.216 1.00 0.00 O ATOM 493 ND2 ASN A 34 5.269 -8.811 -5.230 1.00 0.00 N ATOM 0 H ASN A 34 1.731 -6.794 -4.716 1.00 0.00 H new ATOM 0 HA ASN A 34 3.987 -5.761 -3.022 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.938 -6.681 -5.939 1.00 0.00 H new ATOM 0 HB3 ASN A 34 5.298 -5.861 -5.197 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.596 -9.702 -4.857 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.200 -8.675 -6.239 1.00 0.00 H new ATOM 500 N LEU A 35 3.704 -3.430 -3.892 1.00 0.00 N ATOM 501 CA LEU A 35 3.420 -2.032 -4.328 1.00 0.00 C ATOM 502 C LEU A 35 4.475 -1.603 -5.352 1.00 0.00 C ATOM 503 O LEU A 35 5.575 -2.124 -5.371 1.00 0.00 O ATOM 504 CB LEU A 35 3.477 -1.099 -3.115 1.00 0.00 C ATOM 505 CG LEU A 35 2.883 0.261 -3.485 1.00 0.00 C ATOM 506 CD1 LEU A 35 2.162 0.851 -2.270 1.00 0.00 C ATOM 507 CD2 LEU A 35 4.003 1.208 -3.921 1.00 0.00 C ATOM 0 H LEU A 35 4.349 -3.512 -3.106 1.00 0.00 H new ATOM 0 HA LEU A 35 2.428 -1.980 -4.778 1.00 0.00 H new ATOM 0 HB2 LEU A 35 2.924 -1.534 -2.283 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.509 -0.979 -2.784 1.00 0.00 H new ATOM 0 HG LEU A 35 2.175 0.135 -4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.739 1.820 -2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.363 0.178 -1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.871 0.975 -1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.578 2.177 -4.184 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.713 1.333 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 35 4.517 0.790 -4.786 1.00 0.00 H new ATOM 519 N GLU A 36 4.149 -0.663 -6.204 1.00 0.00 N ATOM 520 CA GLU A 36 5.134 -0.204 -7.230 1.00 0.00 C ATOM 521 C GLU A 36 5.149 1.325 -7.289 1.00 0.00 C ATOM 522 O GLU A 36 4.117 1.961 -7.392 1.00 0.00 O ATOM 523 CB GLU A 36 4.738 -0.762 -8.599 1.00 0.00 C ATOM 524 CG GLU A 36 5.840 -0.450 -9.614 1.00 0.00 C ATOM 525 CD GLU A 36 5.735 -1.416 -10.795 1.00 0.00 C ATOM 526 OE1 GLU A 36 4.631 -1.617 -11.274 1.00 0.00 O ATOM 527 OE2 GLU A 36 6.759 -1.939 -11.201 1.00 0.00 O ATOM 0 H GLU A 36 3.244 -0.194 -6.233 1.00 0.00 H new ATOM 0 HA GLU A 36 6.127 -0.562 -6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.583 -1.839 -8.534 1.00 0.00 H new ATOM 0 HB3 GLU A 36 3.795 -0.323 -8.924 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.747 0.579 -9.963 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.819 -0.540 -9.143 1.00 0.00 H new ATOM 534 N TYR A 37 6.316 1.919 -7.225 1.00 0.00 N ATOM 535 CA TYR A 37 6.409 3.409 -7.280 1.00 0.00 C ATOM 536 C TYR A 37 7.829 3.823 -7.677 1.00 0.00 C ATOM 537 O TYR A 37 8.802 3.337 -7.132 1.00 0.00 O ATOM 538 CB TYR A 37 6.073 3.992 -5.904 1.00 0.00 C ATOM 539 CG TYR A 37 6.014 5.499 -5.995 1.00 0.00 C ATOM 540 CD1 TYR A 37 5.111 6.113 -6.871 1.00 0.00 C ATOM 541 CD2 TYR A 37 6.862 6.281 -5.202 1.00 0.00 C ATOM 542 CE1 TYR A 37 5.058 7.509 -6.955 1.00 0.00 C ATOM 543 CE2 TYR A 37 6.808 7.678 -5.286 1.00 0.00 C ATOM 544 CZ TYR A 37 5.906 8.292 -6.162 1.00 0.00 C ATOM 545 OH TYR A 37 5.853 9.667 -6.245 1.00 0.00 O ATOM 0 H TYR A 37 7.209 1.434 -7.137 1.00 0.00 H new ATOM 0 HA TYR A 37 5.703 3.788 -8.019 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.117 3.601 -5.555 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.826 3.690 -5.176 1.00 0.00 H new ATOM 0 HD1 TYR A 37 4.456 5.510 -7.482 1.00 0.00 H new ATOM 0 HD2 TYR A 37 7.558 5.807 -4.525 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.363 7.983 -7.632 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.463 8.281 -4.675 1.00 0.00 H new ATOM 0 HH TYR A 37 6.506 10.057 -5.628 1.00 0.00 H new ATOM 555 N ASN A 38 7.951 4.726 -8.619 1.00 0.00 N ATOM 556 CA ASN A 38 9.301 5.193 -9.061 1.00 0.00 C ATOM 557 C ASN A 38 10.112 4.011 -9.605 1.00 0.00 C ATOM 558 O ASN A 38 11.298 3.893 -9.355 1.00 0.00 O ATOM 559 CB ASN A 38 10.041 5.817 -7.873 1.00 0.00 C ATOM 560 CG ASN A 38 11.219 6.648 -8.384 1.00 0.00 C ATOM 561 OD1 ASN A 38 12.362 6.299 -8.167 1.00 0.00 O ATOM 562 ND2 ASN A 38 10.988 7.740 -9.059 1.00 0.00 N ATOM 0 H ASN A 38 7.167 5.162 -9.104 1.00 0.00 H new ATOM 0 HA ASN A 38 9.181 5.937 -9.849 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.362 6.446 -7.297 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.398 5.035 -7.202 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.767 8.300 -9.404 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.028 8.033 -9.241 1.00 0.00 H new ATOM 569 N GLY A 39 9.482 3.137 -10.351 1.00 0.00 N ATOM 570 CA GLY A 39 10.209 1.962 -10.920 1.00 0.00 C ATOM 571 C GLY A 39 10.795 1.113 -9.788 1.00 0.00 C ATOM 572 O GLY A 39 11.796 0.442 -9.960 1.00 0.00 O ATOM 0 H GLY A 39 8.492 3.188 -10.591 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.529 1.360 -11.523 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.006 2.302 -11.581 1.00 0.00 H new ATOM 576 N LYS A 40 10.176 1.137 -8.636 1.00 0.00 N ATOM 577 CA LYS A 40 10.686 0.336 -7.486 1.00 0.00 C ATOM 578 C LYS A 40 9.551 -0.527 -6.934 1.00 0.00 C ATOM 579 O LYS A 40 8.678 -0.043 -6.237 1.00 0.00 O ATOM 580 CB LYS A 40 11.193 1.280 -6.391 1.00 0.00 C ATOM 581 CG LYS A 40 12.286 2.196 -6.961 1.00 0.00 C ATOM 582 CD LYS A 40 13.670 1.709 -6.505 1.00 0.00 C ATOM 583 CE LYS A 40 14.279 2.712 -5.521 1.00 0.00 C ATOM 584 NZ LYS A 40 15.748 2.804 -5.751 1.00 0.00 N ATOM 0 H LYS A 40 9.335 1.680 -8.443 1.00 0.00 H new ATOM 0 HA LYS A 40 11.504 -0.304 -7.817 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.369 1.879 -6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.588 0.703 -5.555 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.235 2.203 -8.050 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.124 3.221 -6.627 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.583 0.730 -6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 40 14.325 1.590 -7.368 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.818 3.691 -5.651 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.079 2.399 -4.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 16.162 3.485 -5.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 16.181 1.870 -5.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.928 3.122 -6.725 1.00 0.00 H new ATOM 598 N THR A 41 9.552 -1.797 -7.248 1.00 0.00 N ATOM 599 CA THR A 41 8.470 -2.696 -6.754 1.00 0.00 C ATOM 600 C THR A 41 8.904 -3.368 -5.450 1.00 0.00 C ATOM 601 O THR A 41 9.628 -4.346 -5.460 1.00 0.00 O ATOM 602 CB THR A 41 8.177 -3.768 -7.804 1.00 0.00 C ATOM 603 OG1 THR A 41 7.928 -3.147 -9.058 1.00 0.00 O ATOM 604 CG2 THR A 41 6.949 -4.578 -7.380 1.00 0.00 C ATOM 0 H THR A 41 10.259 -2.250 -7.827 1.00 0.00 H new ATOM 0 HA THR A 41 7.572 -2.106 -6.572 1.00 0.00 H new ATOM 0 HB THR A 41 9.036 -4.434 -7.893 1.00 0.00 H new ATOM 0 HG1 THR A 41 7.742 -3.834 -9.732 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.741 -5.342 -8.129 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.142 -5.055 -6.419 1.00 0.00 H new ATOM 0 HG23 THR A 41 6.089 -3.915 -7.290 1.00 0.00 H new ATOM 612 N VAL A 42 8.452 -2.860 -4.333 1.00 0.00 N ATOM 613 CA VAL A 42 8.818 -3.479 -3.020 1.00 0.00 C ATOM 614 C VAL A 42 7.624 -4.259 -2.486 1.00 0.00 C ATOM 615 O VAL A 42 6.486 -3.872 -2.675 1.00 0.00 O ATOM 616 CB VAL A 42 9.207 -2.417 -1.972 1.00 0.00 C ATOM 617 CG1 VAL A 42 10.696 -2.091 -2.083 1.00 0.00 C ATOM 618 CG2 VAL A 42 8.382 -1.135 -2.156 1.00 0.00 C ATOM 0 H VAL A 42 7.845 -2.043 -4.271 1.00 0.00 H new ATOM 0 HA VAL A 42 9.675 -4.131 -3.189 1.00 0.00 H new ATOM 0 HB VAL A 42 8.998 -2.825 -0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 42 10.961 -1.340 -1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.280 -2.995 -1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.911 -1.705 -3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.676 -0.402 -1.404 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.561 -0.727 -3.151 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.322 -1.365 -2.044 1.00 0.00 H new ATOM 628 N ASN A 43 7.877 -5.340 -1.800 1.00 0.00 N ATOM 629 CA ASN A 43 6.761 -6.139 -1.225 1.00 0.00 C ATOM 630 C ASN A 43 6.104 -5.309 -0.126 1.00 0.00 C ATOM 631 O ASN A 43 6.778 -4.598 0.597 1.00 0.00 O ATOM 632 CB ASN A 43 7.315 -7.434 -0.626 1.00 0.00 C ATOM 633 CG ASN A 43 6.169 -8.406 -0.325 1.00 0.00 C ATOM 634 OD1 ASN A 43 5.044 -8.191 -0.734 1.00 0.00 O ATOM 635 ND2 ASN A 43 6.409 -9.476 0.380 1.00 0.00 N ATOM 0 H ASN A 43 8.811 -5.704 -1.613 1.00 0.00 H new ATOM 0 HA ASN A 43 6.035 -6.389 -1.998 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.019 -7.893 -1.320 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.866 -7.215 0.288 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.654 -10.130 0.587 1.00 0.00 H new ATOM 0 HD22 ASN A 43 7.351 -9.659 0.724 1.00 0.00 H new ATOM 642 N LEU A 44 4.803 -5.384 0.011 1.00 0.00 N ATOM 643 CA LEU A 44 4.131 -4.582 1.075 1.00 0.00 C ATOM 644 C LEU A 44 4.614 -5.029 2.457 1.00 0.00 C ATOM 645 O LEU A 44 4.427 -4.330 3.436 1.00 0.00 O ATOM 646 CB LEU A 44 2.622 -4.736 0.996 1.00 0.00 C ATOM 647 CG LEU A 44 1.988 -3.681 1.898 1.00 0.00 C ATOM 648 CD1 LEU A 44 1.817 -2.379 1.123 1.00 0.00 C ATOM 649 CD2 LEU A 44 0.649 -4.193 2.394 1.00 0.00 C ATOM 0 H LEU A 44 4.185 -5.959 -0.561 1.00 0.00 H new ATOM 0 HA LEU A 44 4.387 -3.534 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.280 -4.613 -0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.325 -5.736 1.313 1.00 0.00 H new ATOM 0 HG LEU A 44 2.632 -3.487 2.756 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.364 -1.627 1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.791 -2.027 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.173 -2.551 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.190 -3.444 3.039 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.004 -4.388 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.798 -5.115 2.956 1.00 0.00 H new ATOM 661 N LYS A 45 5.254 -6.169 2.555 1.00 0.00 N ATOM 662 CA LYS A 45 5.769 -6.616 3.876 1.00 0.00 C ATOM 663 C LYS A 45 7.172 -6.023 4.061 1.00 0.00 C ATOM 664 O LYS A 45 8.113 -6.722 4.387 1.00 0.00 O ATOM 665 CB LYS A 45 5.838 -8.147 3.909 1.00 0.00 C ATOM 666 CG LYS A 45 4.420 -8.736 3.837 1.00 0.00 C ATOM 667 CD LYS A 45 4.271 -9.587 2.572 1.00 0.00 C ATOM 668 CE LYS A 45 2.847 -10.141 2.487 1.00 0.00 C ATOM 669 NZ LYS A 45 2.885 -11.529 1.945 1.00 0.00 N ATOM 0 H LYS A 45 5.439 -6.803 1.778 1.00 0.00 H new ATOM 0 HA LYS A 45 5.111 -6.281 4.678 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.435 -8.511 3.073 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.333 -8.478 4.822 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.225 -9.345 4.720 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.683 -7.933 3.834 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.491 -8.986 1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.990 -10.406 2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.384 -10.137 3.474 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.236 -9.506 1.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.917 -11.906 1.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 3.310 -11.520 0.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.454 -12.132 2.573 1.00 0.00 H new ATOM 683 N SER A 46 7.316 -4.734 3.846 1.00 0.00 N ATOM 684 CA SER A 46 8.655 -4.091 3.998 1.00 0.00 C ATOM 685 C SER A 46 8.462 -2.639 4.427 1.00 0.00 C ATOM 686 O SER A 46 8.179 -1.775 3.620 1.00 0.00 O ATOM 687 CB SER A 46 9.411 -4.146 2.663 1.00 0.00 C ATOM 688 OG SER A 46 10.734 -3.666 2.856 1.00 0.00 O ATOM 0 H SER A 46 6.562 -4.104 3.572 1.00 0.00 H new ATOM 0 HA SER A 46 9.235 -4.621 4.753 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.434 -5.168 2.286 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.897 -3.542 1.915 1.00 0.00 H new ATOM 0 HG SER A 46 11.222 -3.700 2.007 1.00 0.00 H new ATOM 694 N ILE A 47 8.601 -2.370 5.698 1.00 0.00 N ATOM 695 CA ILE A 47 8.413 -0.979 6.203 1.00 0.00 C ATOM 696 C ILE A 47 9.671 -0.151 5.927 1.00 0.00 C ATOM 697 O ILE A 47 9.594 1.006 5.560 1.00 0.00 O ATOM 698 CB ILE A 47 8.143 -1.017 7.706 1.00 0.00 C ATOM 699 CG1 ILE A 47 7.002 -2.009 7.984 1.00 0.00 C ATOM 700 CG2 ILE A 47 7.752 0.388 8.178 1.00 0.00 C ATOM 701 CD1 ILE A 47 6.659 -2.016 9.477 1.00 0.00 C ATOM 0 H ILE A 47 8.838 -3.059 6.412 1.00 0.00 H new ATOM 0 HA ILE A 47 7.566 -0.521 5.692 1.00 0.00 H new ATOM 0 HB ILE A 47 9.035 -1.339 8.244 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.122 -1.734 7.403 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.295 -3.010 7.666 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.557 0.371 9.250 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.566 1.082 7.968 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.854 0.712 7.651 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.850 -2.722 9.661 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.537 -2.313 10.051 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.346 -1.018 9.783 1.00 0.00 H new ATOM 713 N MET A 48 10.824 -0.739 6.102 1.00 0.00 N ATOM 714 CA MET A 48 12.097 0.003 5.856 1.00 0.00 C ATOM 715 C MET A 48 12.355 0.137 4.348 1.00 0.00 C ATOM 716 O MET A 48 13.147 0.956 3.924 1.00 0.00 O ATOM 717 CB MET A 48 13.257 -0.757 6.503 1.00 0.00 C ATOM 718 CG MET A 48 14.513 0.117 6.487 1.00 0.00 C ATOM 719 SD MET A 48 15.709 -0.525 7.684 1.00 0.00 S ATOM 720 CE MET A 48 17.159 0.348 7.045 1.00 0.00 C ATOM 0 H MET A 48 10.941 -1.706 6.406 1.00 0.00 H new ATOM 0 HA MET A 48 12.016 1.000 6.290 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.002 -1.027 7.528 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.441 -1.687 5.965 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.950 0.126 5.489 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.255 1.148 6.731 1.00 0.00 H new ATOM 0 HE1 MET A 48 18.031 0.094 7.647 1.00 0.00 H new ATOM 0 HE2 MET A 48 17.334 0.054 6.010 1.00 0.00 H new ATOM 0 HE3 MET A 48 16.986 1.423 7.092 1.00 0.00 H new ATOM 730 N GLY A 49 11.703 -0.662 3.535 1.00 0.00 N ATOM 731 CA GLY A 49 11.925 -0.580 2.060 1.00 0.00 C ATOM 732 C GLY A 49 10.946 0.418 1.433 1.00 0.00 C ATOM 733 O GLY A 49 11.321 1.225 0.604 1.00 0.00 O ATOM 0 H GLY A 49 11.027 -1.366 3.832 1.00 0.00 H new ATOM 0 HA2 GLY A 49 12.950 -0.272 1.856 1.00 0.00 H new ATOM 0 HA3 GLY A 49 11.792 -1.564 1.609 1.00 0.00 H new ATOM 737 N VAL A 50 9.694 0.363 1.816 1.00 0.00 N ATOM 738 CA VAL A 50 8.685 1.302 1.237 1.00 0.00 C ATOM 739 C VAL A 50 9.073 2.748 1.566 1.00 0.00 C ATOM 740 O VAL A 50 8.769 3.662 0.822 1.00 0.00 O ATOM 741 CB VAL A 50 7.302 0.992 1.821 1.00 0.00 C ATOM 742 CG1 VAL A 50 6.249 1.888 1.163 1.00 0.00 C ATOM 743 CG2 VAL A 50 6.952 -0.474 1.553 1.00 0.00 C ATOM 0 H VAL A 50 9.327 -0.293 2.506 1.00 0.00 H new ATOM 0 HA VAL A 50 8.657 1.178 0.155 1.00 0.00 H new ATOM 0 HB VAL A 50 7.317 1.177 2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.268 1.664 1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.493 2.934 1.350 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.236 1.705 0.089 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.969 -0.695 1.968 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.941 -0.655 0.478 1.00 0.00 H new ATOM 0 HG23 VAL A 50 7.697 -1.117 2.022 1.00 0.00 H new ATOM 753 N VAL A 51 9.740 2.960 2.672 1.00 0.00 N ATOM 754 CA VAL A 51 10.148 4.345 3.052 1.00 0.00 C ATOM 755 C VAL A 51 11.340 4.774 2.194 1.00 0.00 C ATOM 756 O VAL A 51 11.511 5.941 1.892 1.00 0.00 O ATOM 757 CB VAL A 51 10.540 4.379 4.531 1.00 0.00 C ATOM 758 CG1 VAL A 51 10.844 5.820 4.949 1.00 0.00 C ATOM 759 CG2 VAL A 51 9.384 3.840 5.378 1.00 0.00 C ATOM 0 H VAL A 51 10.020 2.232 3.329 1.00 0.00 H new ATOM 0 HA VAL A 51 9.315 5.028 2.887 1.00 0.00 H new ATOM 0 HB VAL A 51 11.425 3.761 4.684 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.123 5.842 6.002 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.666 6.207 4.348 1.00 0.00 H new ATOM 0 HG13 VAL A 51 9.959 6.438 4.795 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.663 3.864 6.431 1.00 0.00 H new ATOM 0 HG22 VAL A 51 8.500 4.458 5.222 1.00 0.00 H new ATOM 0 HG23 VAL A 51 9.165 2.813 5.084 1.00 0.00 H new ATOM 769 N SER A 52 12.165 3.837 1.796 1.00 0.00 N ATOM 770 CA SER A 52 13.349 4.180 0.955 1.00 0.00 C ATOM 771 C SER A 52 12.882 4.778 -0.375 1.00 0.00 C ATOM 772 O SER A 52 13.589 5.549 -0.999 1.00 0.00 O ATOM 773 CB SER A 52 14.167 2.915 0.686 1.00 0.00 C ATOM 774 OG SER A 52 13.483 2.107 -0.262 1.00 0.00 O ATOM 0 H SER A 52 12.067 2.847 2.019 1.00 0.00 H new ATOM 0 HA SER A 52 13.966 4.909 1.481 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.155 3.180 0.310 1.00 0.00 H new ATOM 0 HB3 SER A 52 14.317 2.361 1.613 1.00 0.00 H new ATOM 0 HG SER A 52 12.927 1.451 0.208 1.00 0.00 H new ATOM 780 N LEU A 53 11.697 4.430 -0.814 1.00 0.00 N ATOM 781 CA LEU A 53 11.178 4.976 -2.103 1.00 0.00 C ATOM 782 C LEU A 53 11.051 6.498 -2.000 1.00 0.00 C ATOM 783 O LEU A 53 11.563 7.229 -2.828 1.00 0.00 O ATOM 784 CB LEU A 53 9.803 4.370 -2.398 1.00 0.00 C ATOM 785 CG LEU A 53 9.975 2.996 -3.057 1.00 0.00 C ATOM 786 CD1 LEU A 53 9.808 1.895 -2.008 1.00 0.00 C ATOM 787 CD2 LEU A 53 8.917 2.816 -4.147 1.00 0.00 C ATOM 0 H LEU A 53 11.066 3.789 -0.332 1.00 0.00 H new ATOM 0 HA LEU A 53 11.868 4.722 -2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.232 4.272 -1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.237 5.031 -3.054 1.00 0.00 H new ATOM 0 HG LEU A 53 10.971 2.932 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.931 0.921 -2.481 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.560 2.018 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.814 1.961 -1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.040 1.839 -4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.923 2.884 -3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.033 3.596 -4.899 1.00 0.00 H new ATOM 799 N GLY A 54 10.373 6.977 -0.988 1.00 0.00 N ATOM 800 CA GLY A 54 10.209 8.450 -0.820 1.00 0.00 C ATOM 801 C GLY A 54 8.885 8.894 -1.445 1.00 0.00 C ATOM 802 O GLY A 54 8.851 9.774 -2.284 1.00 0.00 O ATOM 0 H GLY A 54 9.925 6.408 -0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.228 8.710 0.238 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.040 8.975 -1.292 1.00 0.00 H new ATOM 806 N ILE A 55 7.795 8.291 -1.040 1.00 0.00 N ATOM 807 CA ILE A 55 6.467 8.674 -1.605 1.00 0.00 C ATOM 808 C ILE A 55 6.001 9.981 -0.962 1.00 0.00 C ATOM 809 O ILE A 55 6.433 10.340 0.117 1.00 0.00 O ATOM 810 CB ILE A 55 5.449 7.571 -1.311 1.00 0.00 C ATOM 811 CG1 ILE A 55 5.988 6.231 -1.817 1.00 0.00 C ATOM 812 CG2 ILE A 55 4.132 7.889 -2.022 1.00 0.00 C ATOM 813 CD1 ILE A 55 5.174 5.090 -1.206 1.00 0.00 C ATOM 0 H ILE A 55 7.769 7.549 -0.341 1.00 0.00 H new ATOM 0 HA ILE A 55 6.555 8.808 -2.683 1.00 0.00 H new ATOM 0 HB ILE A 55 5.278 7.513 -0.236 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.930 6.191 -2.905 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.039 6.126 -1.550 1.00 0.00 H new ATOM 0 HG21 ILE A 55 3.406 7.103 -1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.746 8.844 -1.664 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.304 7.947 -3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.558 4.136 -1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.255 5.127 -0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.128 5.193 -1.496 1.00 0.00 H new ATOM 825 N ALA A 56 5.121 10.693 -1.619 1.00 0.00 N ATOM 826 CA ALA A 56 4.621 11.980 -1.055 1.00 0.00 C ATOM 827 C ALA A 56 3.206 12.250 -1.578 1.00 0.00 C ATOM 828 O ALA A 56 2.595 11.404 -2.203 1.00 0.00 O ATOM 829 CB ALA A 56 5.560 13.117 -1.476 1.00 0.00 C ATOM 0 H ALA A 56 4.727 10.436 -2.524 1.00 0.00 H new ATOM 0 HA ALA A 56 4.594 11.920 0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.197 14.059 -1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.563 12.919 -1.099 1.00 0.00 H new ATOM 0 HB3 ALA A 56 5.588 13.182 -2.564 1.00 0.00 H new ATOM 835 N LYS A 57 2.686 13.424 -1.322 1.00 0.00 N ATOM 836 CA LYS A 57 1.311 13.760 -1.798 1.00 0.00 C ATOM 837 C LYS A 57 1.307 13.865 -3.323 1.00 0.00 C ATOM 838 O LYS A 57 2.265 14.314 -3.925 1.00 0.00 O ATOM 839 CB LYS A 57 0.874 15.096 -1.194 1.00 0.00 C ATOM 840 CG LYS A 57 1.928 16.164 -1.497 1.00 0.00 C ATOM 841 CD LYS A 57 1.320 17.554 -1.296 1.00 0.00 C ATOM 842 CE LYS A 57 0.685 18.028 -2.606 1.00 0.00 C ATOM 843 NZ LYS A 57 1.677 18.833 -3.374 1.00 0.00 N ATOM 0 H LYS A 57 3.156 14.165 -0.803 1.00 0.00 H new ATOM 0 HA LYS A 57 0.620 12.976 -1.488 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.090 15.395 -1.605 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.743 14.994 -0.117 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.790 16.035 -0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.286 16.057 -2.521 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.570 17.524 -0.506 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.090 18.257 -0.978 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.360 17.171 -3.196 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.202 18.626 -2.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.247 19.156 -4.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.966 19.658 -2.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.511 18.248 -3.584 1.00 0.00 H new ATOM 857 N GLY A 58 0.234 13.456 -3.951 1.00 0.00 N ATOM 858 CA GLY A 58 0.156 13.529 -5.439 1.00 0.00 C ATOM 859 C GLY A 58 1.056 12.456 -6.051 1.00 0.00 C ATOM 860 O GLY A 58 1.916 12.745 -6.862 1.00 0.00 O ATOM 0 H GLY A 58 -0.594 13.073 -3.494 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.873 13.385 -5.767 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.465 14.516 -5.782 1.00 0.00 H new ATOM 864 N ALA A 59 0.862 11.219 -5.669 1.00 0.00 N ATOM 865 CA ALA A 59 1.702 10.118 -6.225 1.00 0.00 C ATOM 866 C ALA A 59 0.804 8.956 -6.648 1.00 0.00 C ATOM 867 O ALA A 59 -0.294 8.796 -6.150 1.00 0.00 O ATOM 868 CB ALA A 59 2.686 9.639 -5.157 1.00 0.00 C ATOM 0 H ALA A 59 0.156 10.925 -4.994 1.00 0.00 H new ATOM 0 HA ALA A 59 2.254 10.484 -7.090 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.300 8.835 -5.562 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.327 10.467 -4.855 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.134 9.273 -4.291 1.00 0.00 H new ATOM 874 N GLU A 60 1.266 8.143 -7.564 1.00 0.00 N ATOM 875 CA GLU A 60 0.448 6.984 -8.027 1.00 0.00 C ATOM 876 C GLU A 60 1.167 5.683 -7.665 1.00 0.00 C ATOM 877 O GLU A 60 2.293 5.455 -8.066 1.00 0.00 O ATOM 878 CB GLU A 60 0.263 7.063 -9.543 1.00 0.00 C ATOM 879 CG GLU A 60 -0.366 8.408 -9.912 1.00 0.00 C ATOM 880 CD GLU A 60 0.735 9.456 -10.082 1.00 0.00 C ATOM 881 OE1 GLU A 60 1.503 9.333 -11.021 1.00 0.00 O ATOM 882 OE2 GLU A 60 0.791 10.365 -9.269 1.00 0.00 O ATOM 0 H GLU A 60 2.178 8.233 -8.012 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.528 7.008 -7.543 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.225 6.950 -10.044 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -0.373 6.246 -9.885 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.938 8.313 -10.835 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.064 8.721 -9.135 1.00 0.00 H new ATOM 889 N ILE A 61 0.523 4.832 -6.910 1.00 0.00 N ATOM 890 CA ILE A 61 1.161 3.542 -6.512 1.00 0.00 C ATOM 891 C ILE A 61 0.337 2.377 -7.064 1.00 0.00 C ATOM 892 O ILE A 61 -0.874 2.356 -6.951 1.00 0.00 O ATOM 893 CB ILE A 61 1.226 3.455 -4.984 1.00 0.00 C ATOM 894 CG1 ILE A 61 -0.168 3.713 -4.393 1.00 0.00 C ATOM 895 CG2 ILE A 61 2.207 4.506 -4.459 1.00 0.00 C ATOM 896 CD1 ILE A 61 -0.131 3.570 -2.865 1.00 0.00 C ATOM 0 H ILE A 61 -0.421 4.975 -6.551 1.00 0.00 H new ATOM 0 HA ILE A 61 2.172 3.492 -6.917 1.00 0.00 H new ATOM 0 HB ILE A 61 1.563 2.461 -4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.506 4.713 -4.664 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.886 3.009 -4.814 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.256 4.447 -3.372 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.196 4.321 -4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.868 5.499 -4.754 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.125 3.755 -2.458 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.187 2.561 -2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.572 4.292 -2.449 1.00 0.00 H new ATOM 908 N THR A 62 0.985 1.412 -7.665 1.00 0.00 N ATOM 909 CA THR A 62 0.247 0.248 -8.235 1.00 0.00 C ATOM 910 C THR A 62 0.428 -0.975 -7.333 1.00 0.00 C ATOM 911 O THR A 62 1.532 -1.431 -7.103 1.00 0.00 O ATOM 912 CB THR A 62 0.790 -0.066 -9.632 1.00 0.00 C ATOM 913 OG1 THR A 62 1.121 1.148 -10.292 1.00 0.00 O ATOM 914 CG2 THR A 62 -0.272 -0.814 -10.437 1.00 0.00 C ATOM 0 H THR A 62 1.997 1.381 -7.785 1.00 0.00 H new ATOM 0 HA THR A 62 -0.813 0.493 -8.300 1.00 0.00 H new ATOM 0 HB THR A 62 1.681 -0.688 -9.546 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.470 0.950 -11.186 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.115 -1.037 -11.431 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.525 -1.745 -9.929 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.164 -0.195 -10.526 1.00 0.00 H new ATOM 922 N ILE A 63 -0.654 -1.506 -6.825 1.00 0.00 N ATOM 923 CA ILE A 63 -0.567 -2.704 -5.939 1.00 0.00 C ATOM 924 C ILE A 63 -1.154 -3.914 -6.674 1.00 0.00 C ATOM 925 O ILE A 63 -2.054 -3.780 -7.481 1.00 0.00 O ATOM 926 CB ILE A 63 -1.359 -2.433 -4.654 1.00 0.00 C ATOM 927 CG1 ILE A 63 -0.749 -1.226 -3.936 1.00 0.00 C ATOM 928 CG2 ILE A 63 -1.303 -3.658 -3.735 1.00 0.00 C ATOM 929 CD1 ILE A 63 -1.598 -0.865 -2.715 1.00 0.00 C ATOM 0 H ILE A 63 -1.599 -1.159 -6.987 1.00 0.00 H new ATOM 0 HA ILE A 63 0.472 -2.910 -5.684 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.399 -2.228 -4.906 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.271 -1.453 -3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.694 -0.376 -4.616 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.868 -3.456 -2.825 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.735 -4.517 -4.248 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.266 -3.873 -3.478 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -1.159 -0.006 -2.208 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.610 -0.619 -3.036 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -1.630 -1.713 -2.031 1.00 0.00 H new ATOM 941 N SER A 64 -0.648 -5.092 -6.400 1.00 0.00 N ATOM 942 CA SER A 64 -1.174 -6.310 -7.084 1.00 0.00 C ATOM 943 C SER A 64 -1.024 -7.533 -6.175 1.00 0.00 C ATOM 944 O SER A 64 0.073 -7.982 -5.900 1.00 0.00 O ATOM 945 CB SER A 64 -0.395 -6.541 -8.379 1.00 0.00 C ATOM 946 OG SER A 64 0.983 -6.271 -8.151 1.00 0.00 O ATOM 0 H SER A 64 0.105 -5.260 -5.733 1.00 0.00 H new ATOM 0 HA SER A 64 -2.230 -6.163 -7.309 1.00 0.00 H new ATOM 0 HB2 SER A 64 -0.525 -7.569 -8.717 1.00 0.00 H new ATOM 0 HB3 SER A 64 -0.779 -5.895 -9.168 1.00 0.00 H new ATOM 0 HG SER A 64 1.274 -6.724 -7.332 1.00 0.00 H new ATOM 952 N ALA A 65 -2.123 -8.080 -5.721 1.00 0.00 N ATOM 953 CA ALA A 65 -2.064 -9.285 -4.841 1.00 0.00 C ATOM 954 C ALA A 65 -2.130 -10.540 -5.719 1.00 0.00 C ATOM 955 O ALA A 65 -2.987 -10.657 -6.575 1.00 0.00 O ATOM 956 CB ALA A 65 -3.254 -9.275 -3.879 1.00 0.00 C ATOM 0 H ALA A 65 -3.064 -7.741 -5.924 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.138 -9.279 -4.267 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.210 -10.155 -3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.218 -8.375 -3.265 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.183 -9.288 -4.449 1.00 0.00 H new ATOM 962 N SER A 66 -1.230 -11.470 -5.522 1.00 0.00 N ATOM 963 CA SER A 66 -1.239 -12.712 -6.354 1.00 0.00 C ATOM 964 C SER A 66 -0.970 -13.933 -5.469 1.00 0.00 C ATOM 965 O SER A 66 0.148 -14.174 -5.053 1.00 0.00 O ATOM 966 CB SER A 66 -0.159 -12.602 -7.436 1.00 0.00 C ATOM 967 OG SER A 66 -0.775 -12.629 -8.717 1.00 0.00 O ATOM 0 H SER A 66 -0.490 -11.423 -4.822 1.00 0.00 H new ATOM 0 HA SER A 66 -2.215 -12.828 -6.826 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.406 -11.678 -7.310 1.00 0.00 H new ATOM 0 HB3 SER A 66 0.551 -13.424 -7.343 1.00 0.00 H new ATOM 0 HG SER A 66 -0.088 -12.557 -9.412 1.00 0.00 H new ATOM 973 N GLY A 67 -1.988 -14.708 -5.187 1.00 0.00 N ATOM 974 CA GLY A 67 -1.800 -15.920 -4.335 1.00 0.00 C ATOM 975 C GLY A 67 -3.158 -16.557 -4.037 1.00 0.00 C ATOM 976 O GLY A 67 -3.994 -16.694 -4.911 1.00 0.00 O ATOM 0 H GLY A 67 -2.942 -14.552 -5.511 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.155 -16.637 -4.843 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.303 -15.648 -3.404 1.00 0.00 H new ATOM 980 N ALA A 68 -3.382 -16.949 -2.808 1.00 0.00 N ATOM 981 CA ALA A 68 -4.683 -17.581 -2.441 1.00 0.00 C ATOM 982 C ALA A 68 -5.732 -16.494 -2.194 1.00 0.00 C ATOM 983 O ALA A 68 -6.625 -16.292 -2.993 1.00 0.00 O ATOM 984 CB ALA A 68 -4.503 -18.413 -1.169 1.00 0.00 C ATOM 0 H ALA A 68 -2.716 -16.857 -2.041 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.015 -18.225 -3.256 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.452 -18.875 -0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.758 -19.189 -1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.170 -17.768 -0.356 1.00 0.00 H new ATOM 990 N ASP A 69 -5.625 -15.796 -1.091 1.00 0.00 N ATOM 991 CA ASP A 69 -6.614 -14.719 -0.782 1.00 0.00 C ATOM 992 C ASP A 69 -6.120 -13.388 -1.357 1.00 0.00 C ATOM 993 O ASP A 69 -6.048 -12.387 -0.666 1.00 0.00 O ATOM 994 CB ASP A 69 -6.790 -14.600 0.738 1.00 0.00 C ATOM 995 CG ASP A 69 -5.424 -14.459 1.416 1.00 0.00 C ATOM 996 OD1 ASP A 69 -4.539 -13.872 0.815 1.00 0.00 O ATOM 997 OD2 ASP A 69 -5.286 -14.940 2.528 1.00 0.00 O ATOM 0 H ASP A 69 -4.895 -15.926 -0.391 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.575 -14.968 -1.233 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.412 -13.737 0.973 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -7.306 -15.480 1.122 1.00 0.00 H new ATOM 1002 N GLU A 70 -5.778 -13.373 -2.620 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.286 -12.114 -3.255 1.00 0.00 C ATOM 1004 C GLU A 70 -6.425 -11.093 -3.334 1.00 0.00 C ATOM 1005 O GLU A 70 -6.196 -9.899 -3.321 1.00 0.00 O ATOM 1006 CB GLU A 70 -4.776 -12.420 -4.666 1.00 0.00 C ATOM 1007 CG GLU A 70 -5.874 -13.118 -5.473 1.00 0.00 C ATOM 1008 CD GLU A 70 -5.494 -13.127 -6.955 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -4.334 -13.367 -7.247 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -6.370 -12.897 -7.772 1.00 0.00 O ATOM 0 H GLU A 70 -5.819 -14.181 -3.241 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.475 -11.702 -2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.477 -11.497 -5.163 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -3.891 -13.054 -4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.009 -14.139 -5.116 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.825 -12.603 -5.334 1.00 0.00 H new ATOM 1017 N ASN A 71 -7.647 -11.556 -3.418 1.00 0.00 N ATOM 1018 CA ASN A 71 -8.804 -10.617 -3.503 1.00 0.00 C ATOM 1019 C ASN A 71 -9.105 -10.048 -2.115 1.00 0.00 C ATOM 1020 O ASN A 71 -9.496 -8.903 -1.975 1.00 0.00 O ATOM 1021 CB ASN A 71 -10.033 -11.366 -4.023 1.00 0.00 C ATOM 1022 CG ASN A 71 -9.702 -12.017 -5.367 1.00 0.00 C ATOM 1023 OD1 ASN A 71 -9.684 -13.226 -5.482 1.00 0.00 O ATOM 1024 ND2 ASN A 71 -9.438 -11.260 -6.396 1.00 0.00 N ATOM 0 H ASN A 71 -7.892 -12.546 -3.431 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.559 -9.802 -4.184 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.340 -12.126 -3.304 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.871 -10.678 -4.137 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.216 -11.683 -7.297 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -9.453 -10.245 -6.299 1.00 0.00 H new ATOM 1031 N ASP A 72 -8.930 -10.840 -1.089 1.00 0.00 N ATOM 1032 CA ASP A 72 -9.207 -10.356 0.297 1.00 0.00 C ATOM 1033 C ASP A 72 -8.063 -9.452 0.779 1.00 0.00 C ATOM 1034 O ASP A 72 -8.231 -8.672 1.698 1.00 0.00 O ATOM 1035 CB ASP A 72 -9.338 -11.554 1.241 1.00 0.00 C ATOM 1036 CG ASP A 72 -10.353 -12.550 0.673 1.00 0.00 C ATOM 1037 OD1 ASP A 72 -11.465 -12.137 0.392 1.00 0.00 O ATOM 1038 OD2 ASP A 72 -9.999 -13.710 0.531 1.00 0.00 O ATOM 0 H ASP A 72 -8.606 -11.805 -1.152 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.136 -9.786 0.294 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -8.370 -12.038 1.366 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.656 -11.218 2.228 1.00 0.00 H new ATOM 1043 N ALA A 73 -6.904 -9.554 0.176 1.00 0.00 N ATOM 1044 CA ALA A 73 -5.758 -8.701 0.609 1.00 0.00 C ATOM 1045 C ALA A 73 -5.867 -7.309 -0.020 1.00 0.00 C ATOM 1046 O ALA A 73 -5.634 -6.311 0.634 1.00 0.00 O ATOM 1047 CB ALA A 73 -4.443 -9.346 0.175 1.00 0.00 C ATOM 0 H ALA A 73 -6.704 -10.190 -0.596 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.782 -8.608 1.695 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.609 -8.721 0.493 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -4.353 -10.331 0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -4.428 -9.447 -0.910 1.00 0.00 H new ATOM 1053 N LEU A 74 -6.194 -7.233 -1.288 1.00 0.00 N ATOM 1054 CA LEU A 74 -6.288 -5.900 -1.961 1.00 0.00 C ATOM 1055 C LEU A 74 -7.433 -5.075 -1.363 1.00 0.00 C ATOM 1056 O LEU A 74 -7.285 -3.891 -1.122 1.00 0.00 O ATOM 1057 CB LEU A 74 -6.498 -6.087 -3.471 1.00 0.00 C ATOM 1058 CG LEU A 74 -7.815 -6.815 -3.753 1.00 0.00 C ATOM 1059 CD1 LEU A 74 -8.948 -5.791 -3.920 1.00 0.00 C ATOM 1060 CD2 LEU A 74 -7.672 -7.632 -5.040 1.00 0.00 C ATOM 0 H LEU A 74 -6.399 -8.035 -1.884 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.355 -5.361 -1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.502 -5.115 -3.965 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.667 -6.654 -3.890 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.050 -7.477 -2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -9.884 -6.313 -4.121 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -9.048 -5.206 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.718 -5.126 -4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -8.607 -8.153 -5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.437 -6.965 -5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -6.870 -8.360 -4.921 1.00 0.00 H new ATOM 1072 N ASN A 75 -8.570 -5.682 -1.123 1.00 0.00 N ATOM 1073 CA ASN A 75 -9.713 -4.916 -0.543 1.00 0.00 C ATOM 1074 C ASN A 75 -9.464 -4.680 0.950 1.00 0.00 C ATOM 1075 O ASN A 75 -10.008 -3.762 1.533 1.00 0.00 O ATOM 1076 CB ASN A 75 -11.027 -5.686 -0.749 1.00 0.00 C ATOM 1077 CG ASN A 75 -10.957 -7.051 -0.064 1.00 0.00 C ATOM 1078 OD1 ASN A 75 -9.903 -7.490 0.338 1.00 0.00 O ATOM 1079 ND2 ASN A 75 -12.052 -7.748 0.086 1.00 0.00 N ATOM 0 H ASN A 75 -8.754 -6.669 -1.303 1.00 0.00 H new ATOM 0 HA ASN A 75 -9.795 -3.954 -1.049 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.860 -5.111 -0.345 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -11.217 -5.816 -1.814 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -12.018 -8.660 0.541 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -12.941 -7.380 -0.252 1.00 0.00 H new ATOM 1086 N ALA A 76 -8.633 -5.487 1.570 1.00 0.00 N ATOM 1087 CA ALA A 76 -8.340 -5.288 3.018 1.00 0.00 C ATOM 1088 C ALA A 76 -7.571 -3.976 3.186 1.00 0.00 C ATOM 1089 O ALA A 76 -7.996 -3.084 3.897 1.00 0.00 O ATOM 1090 CB ALA A 76 -7.487 -6.450 3.533 1.00 0.00 C ATOM 0 H ALA A 76 -8.149 -6.271 1.133 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.271 -5.250 3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.273 -6.303 4.592 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.028 -7.386 3.398 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.551 -6.489 2.976 1.00 0.00 H new ATOM 1096 N LEU A 77 -6.444 -3.852 2.530 1.00 0.00 N ATOM 1097 CA LEU A 77 -5.645 -2.598 2.638 1.00 0.00 C ATOM 1098 C LEU A 77 -6.440 -1.429 2.051 1.00 0.00 C ATOM 1099 O LEU A 77 -6.303 -0.300 2.482 1.00 0.00 O ATOM 1100 CB LEU A 77 -4.337 -2.760 1.865 1.00 0.00 C ATOM 1101 CG LEU A 77 -3.601 -4.020 2.352 1.00 0.00 C ATOM 1102 CD1 LEU A 77 -3.317 -4.942 1.166 1.00 0.00 C ATOM 1103 CD2 LEU A 77 -2.279 -3.623 3.011 1.00 0.00 C ATOM 0 H LEU A 77 -6.044 -4.568 1.924 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.428 -2.398 3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.541 -2.836 0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.708 -1.881 2.007 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.227 -4.541 3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.796 -5.833 1.515 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.257 -5.232 0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.695 -4.419 0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.761 -4.518 3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.655 -3.098 2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.478 -2.970 3.861 1.00 0.00 H new ATOM 1115 N GLU A 78 -7.265 -1.690 1.064 1.00 0.00 N ATOM 1116 CA GLU A 78 -8.067 -0.592 0.438 1.00 0.00 C ATOM 1117 C GLU A 78 -8.943 0.093 1.496 1.00 0.00 C ATOM 1118 O GLU A 78 -8.918 1.301 1.638 1.00 0.00 O ATOM 1119 CB GLU A 78 -8.956 -1.179 -0.664 1.00 0.00 C ATOM 1120 CG GLU A 78 -9.711 -0.054 -1.384 1.00 0.00 C ATOM 1121 CD GLU A 78 -11.150 -0.494 -1.664 1.00 0.00 C ATOM 1122 OE1 GLU A 78 -11.978 -0.343 -0.780 1.00 0.00 O ATOM 1123 OE2 GLU A 78 -11.399 -0.976 -2.757 1.00 0.00 O ATOM 0 H GLU A 78 -7.417 -2.617 0.665 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.389 0.147 0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -8.347 -1.734 -1.377 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.665 -1.886 -0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -9.709 0.848 -0.772 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -9.208 0.194 -2.319 1.00 0.00 H new ATOM 1130 N GLU A 79 -9.717 -0.665 2.233 1.00 0.00 N ATOM 1131 CA GLU A 79 -10.594 -0.056 3.277 1.00 0.00 C ATOM 1132 C GLU A 79 -9.728 0.642 4.331 1.00 0.00 C ATOM 1133 O GLU A 79 -10.153 1.595 4.956 1.00 0.00 O ATOM 1134 CB GLU A 79 -11.441 -1.147 3.937 1.00 0.00 C ATOM 1135 CG GLU A 79 -10.533 -2.245 4.494 1.00 0.00 C ATOM 1136 CD GLU A 79 -11.302 -3.065 5.531 1.00 0.00 C ATOM 1137 OE1 GLU A 79 -11.566 -2.536 6.599 1.00 0.00 O ATOM 1138 OE2 GLU A 79 -11.611 -4.210 5.241 1.00 0.00 O ATOM 0 H GLU A 79 -9.778 -1.680 2.156 1.00 0.00 H new ATOM 0 HA GLU A 79 -11.255 0.677 2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -12.042 -0.718 4.739 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -12.135 -1.570 3.211 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -10.188 -2.891 3.687 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -9.647 -1.803 4.949 1.00 0.00 H new ATOM 1145 N THR A 80 -8.515 0.184 4.521 1.00 0.00 N ATOM 1146 CA THR A 80 -7.617 0.829 5.522 1.00 0.00 C ATOM 1147 C THR A 80 -7.227 2.218 5.011 1.00 0.00 C ATOM 1148 O THR A 80 -7.040 3.144 5.778 1.00 0.00 O ATOM 1149 CB THR A 80 -6.357 -0.022 5.705 1.00 0.00 C ATOM 1150 OG1 THR A 80 -6.732 -1.357 6.013 1.00 0.00 O ATOM 1151 CG2 THR A 80 -5.514 0.550 6.845 1.00 0.00 C ATOM 0 H THR A 80 -8.110 -0.610 4.024 1.00 0.00 H new ATOM 0 HA THR A 80 -8.131 0.916 6.479 1.00 0.00 H new ATOM 0 HB THR A 80 -5.773 -0.011 4.785 1.00 0.00 H new ATOM 0 HG1 THR A 80 -7.068 -1.797 5.205 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.618 -0.056 6.974 1.00 0.00 H new ATOM 0 HG22 THR A 80 -5.228 1.575 6.607 1.00 0.00 H new ATOM 0 HG23 THR A 80 -6.095 0.540 7.767 1.00 0.00 H new ATOM 1159 N MET A 81 -7.112 2.364 3.716 1.00 0.00 N ATOM 1160 CA MET A 81 -6.745 3.684 3.129 1.00 0.00 C ATOM 1161 C MET A 81 -7.923 4.648 3.287 1.00 0.00 C ATOM 1162 O MET A 81 -7.744 5.843 3.429 1.00 0.00 O ATOM 1163 CB MET A 81 -6.431 3.507 1.639 1.00 0.00 C ATOM 1164 CG MET A 81 -4.976 3.045 1.463 1.00 0.00 C ATOM 1165 SD MET A 81 -4.191 3.964 0.112 1.00 0.00 S ATOM 1166 CE MET A 81 -3.217 2.594 -0.558 1.00 0.00 C ATOM 0 H MET A 81 -7.258 1.618 3.036 1.00 0.00 H new ATOM 0 HA MET A 81 -5.870 4.084 3.641 1.00 0.00 H new ATOM 0 HB2 MET A 81 -7.110 2.776 1.200 1.00 0.00 H new ATOM 0 HB3 MET A 81 -6.590 4.447 1.111 1.00 0.00 H new ATOM 0 HG2 MET A 81 -4.422 3.200 2.389 1.00 0.00 H new ATOM 0 HG3 MET A 81 -4.949 1.976 1.251 1.00 0.00 H new ATOM 0 HE1 MET A 81 -2.755 2.901 -1.496 1.00 0.00 H new ATOM 0 HE2 MET A 81 -2.441 2.316 0.155 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.868 1.738 -0.737 1.00 0.00 H new ATOM 1176 N LYS A 82 -9.124 4.131 3.259 1.00 0.00 N ATOM 1177 CA LYS A 82 -10.328 5.001 3.401 1.00 0.00 C ATOM 1178 C LYS A 82 -10.527 5.375 4.873 1.00 0.00 C ATOM 1179 O LYS A 82 -11.080 6.413 5.186 1.00 0.00 O ATOM 1180 CB LYS A 82 -11.560 4.244 2.898 1.00 0.00 C ATOM 1181 CG LYS A 82 -11.621 4.323 1.370 1.00 0.00 C ATOM 1182 CD LYS A 82 -12.150 2.999 0.809 1.00 0.00 C ATOM 1183 CE LYS A 82 -12.549 3.187 -0.656 1.00 0.00 C ATOM 1184 NZ LYS A 82 -13.607 4.232 -0.753 1.00 0.00 N ATOM 0 H LYS A 82 -9.323 3.137 3.143 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.189 5.910 2.815 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.515 3.203 3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.464 4.672 3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.269 5.144 1.064 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.630 4.531 0.966 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.386 2.226 0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.009 2.663 1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -11.680 3.478 -1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.913 2.246 -1.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.220 4.031 -1.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.177 4.231 0.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.164 5.165 -0.875 1.00 0.00 H new ATOM 1198 N SER A 83 -10.083 4.537 5.776 1.00 0.00 N ATOM 1199 CA SER A 83 -10.248 4.837 7.230 1.00 0.00 C ATOM 1200 C SER A 83 -9.208 5.872 7.663 1.00 0.00 C ATOM 1201 O SER A 83 -9.542 6.988 8.017 1.00 0.00 O ATOM 1202 CB SER A 83 -10.056 3.554 8.039 1.00 0.00 C ATOM 1203 OG SER A 83 -9.021 2.778 7.450 1.00 0.00 O ATOM 0 H SER A 83 -9.612 3.656 5.568 1.00 0.00 H new ATOM 0 HA SER A 83 -11.248 5.234 7.406 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.803 3.796 9.071 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.985 2.984 8.064 1.00 0.00 H new ATOM 0 HG SER A 83 -8.568 2.256 8.145 1.00 0.00 H new ATOM 1209 N GLU A 84 -7.951 5.509 7.637 1.00 0.00 N ATOM 1210 CA GLU A 84 -6.879 6.464 8.047 1.00 0.00 C ATOM 1211 C GLU A 84 -6.885 7.678 7.115 1.00 0.00 C ATOM 1212 O GLU A 84 -6.511 8.770 7.503 1.00 0.00 O ATOM 1213 CB GLU A 84 -5.518 5.767 7.966 1.00 0.00 C ATOM 1214 CG GLU A 84 -5.358 4.822 9.158 1.00 0.00 C ATOM 1215 CD GLU A 84 -4.771 5.589 10.345 1.00 0.00 C ATOM 1216 OE1 GLU A 84 -3.592 5.899 10.298 1.00 0.00 O ATOM 1217 OE2 GLU A 84 -5.510 5.853 11.279 1.00 0.00 O ATOM 0 H GLU A 84 -7.620 4.588 7.348 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.061 6.793 9.070 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.438 5.209 7.033 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.718 6.507 7.965 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.324 4.395 9.429 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.706 3.990 8.891 1.00 0.00 H new ATOM 1224 N GLY A 85 -7.306 7.496 5.888 1.00 0.00 N ATOM 1225 CA GLY A 85 -7.338 8.637 4.924 1.00 0.00 C ATOM 1226 C GLY A 85 -5.958 8.802 4.286 1.00 0.00 C ATOM 1227 O GLY A 85 -5.522 9.903 4.007 1.00 0.00 O ATOM 0 H GLY A 85 -7.629 6.604 5.512 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -8.088 8.456 4.154 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.625 9.554 5.438 1.00 0.00 H new ATOM 1231 N LEU A 86 -5.269 7.713 4.059 1.00 0.00 N ATOM 1232 CA LEU A 86 -3.914 7.792 3.441 1.00 0.00 C ATOM 1233 C LEU A 86 -4.050 7.920 1.922 1.00 0.00 C ATOM 1234 O LEU A 86 -3.318 8.653 1.284 1.00 0.00 O ATOM 1235 CB LEU A 86 -3.128 6.527 3.779 1.00 0.00 C ATOM 1236 CG LEU A 86 -2.958 6.426 5.296 1.00 0.00 C ATOM 1237 CD1 LEU A 86 -2.290 5.099 5.643 1.00 0.00 C ATOM 1238 CD2 LEU A 86 -2.083 7.580 5.793 1.00 0.00 C ATOM 0 H LEU A 86 -5.589 6.769 4.277 1.00 0.00 H new ATOM 0 HA LEU A 86 -3.387 8.663 3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.651 5.649 3.401 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.153 6.551 3.293 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.936 6.481 5.775 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.168 5.025 6.724 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.911 4.276 5.291 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.313 5.047 5.163 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.963 7.506 6.874 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -1.105 7.527 5.315 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.557 8.529 5.544 1.00 0.00 H new ATOM 1250 N GLY A 87 -4.984 7.209 1.341 1.00 0.00 N ATOM 1251 CA GLY A 87 -5.177 7.282 -0.137 1.00 0.00 C ATOM 1252 C GLY A 87 -6.545 6.699 -0.500 1.00 0.00 C ATOM 1253 O GLY A 87 -7.351 6.409 0.363 1.00 0.00 O ATOM 0 H GLY A 87 -5.622 6.580 1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -5.109 8.317 -0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.387 6.729 -0.646 1.00 0.00 H new ATOM 1257 N GLU A 88 -6.809 6.528 -1.770 1.00 0.00 N ATOM 1258 CA GLU A 88 -8.124 5.964 -2.197 1.00 0.00 C ATOM 1259 C GLU A 88 -7.892 4.774 -3.129 1.00 0.00 C ATOM 1260 O GLU A 88 -7.033 4.879 -3.989 1.00 0.00 O ATOM 1261 CB GLU A 88 -8.927 7.040 -2.932 1.00 0.00 C ATOM 1262 CG GLU A 88 -8.088 7.613 -4.077 1.00 0.00 C ATOM 1263 CD GLU A 88 -8.852 8.754 -4.749 1.00 0.00 C ATOM 1264 OE1 GLU A 88 -9.037 9.776 -4.108 1.00 0.00 O ATOM 1265 OE2 GLU A 88 -9.240 8.588 -5.893 1.00 0.00 O ATOM 1266 OXT GLU A 88 -8.575 3.777 -2.966 1.00 0.00 O ATOM 0 H GLU A 88 -6.169 6.755 -2.531 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.679 5.633 -1.319 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.852 6.615 -3.322 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -9.208 7.834 -2.241 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -7.133 7.976 -3.696 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -7.865 6.832 -4.805 1.00 0.00 H new TER 1273 GLU A 88