USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 686 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 68 SER OG : rot -30:sc= -0.106 USER MOD Set 1.2: A 71 SER OG : rot -53:sc= 0.885 USER MOD Set 2.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A -1 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 2 GLN : amide:sc= -0.0316 X(o=-0.9,f=-1.1) USER MOD Set 3.2: A 3 HIS : no HD1:sc= -0.871 X(o=-0.9,f=-1.1) USER MOD Single : A 1 MET CE :methyl -154:sc= -0.194 (180deg=-1.59!) USER MOD Single : A 9 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A -1 SER N :NH3+ -168:sc= -1.73 (180deg=-1.95!) USER MOD Single : A 33 ASN : amide:sc= -0.023 K(o=-0.023,f=-1.8!) USER MOD Single : A 43 LYS NZ :NH3+ 154:sc= -1.28 (180deg=-2.38) USER MOD Single : A 62 SER OG : rot 180:sc= 0.461 USER MOD Single : A 65 HIS : no HE2:sc= -8.03! C(o=-8!,f=-12!) USER MOD Single : A 80 THR OG1 : rot -31:sc= 0.342 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.852 USER MOD Single : A 87 LYS NZ :NH3+ -165:sc= -0.218 (180deg=-0.753) USER MOD Single : A 89 GLN : amide:sc= -0.0113 K(o=-0.011,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A -1 7.015 -4.490 -6.891 1.00 0.00 N ATOM 2 CA SER A -1 7.045 -5.910 -6.440 1.00 0.00 C ATOM 3 C SER A -1 8.200 -6.107 -5.455 1.00 0.00 C ATOM 4 O SER A -1 8.569 -7.217 -5.130 1.00 0.00 O ATOM 5 CB SER A -1 7.245 -6.824 -7.648 1.00 0.00 C ATOM 6 OG SER A -1 6.331 -7.912 -7.571 1.00 0.00 O ATOM 0 H1 SER A -1 6.123 -4.304 -7.393 1.00 0.00 H new ATOM 0 H2 SER A -1 7.085 -3.862 -6.065 1.00 0.00 H new ATOM 0 H3 SER A -1 7.816 -4.312 -7.530 1.00 0.00 H new ATOM 0 HA SER A -1 6.103 -6.156 -5.950 1.00 0.00 H new ATOM 0 HB2 SER A -1 7.087 -6.266 -8.571 1.00 0.00 H new ATOM 0 HB3 SER A -1 8.269 -7.196 -7.672 1.00 0.00 H new ATOM 0 HG SER A -1 6.456 -8.499 -8.345 1.00 0.00 H new ATOM 14 N GLU A 0 8.774 -5.036 -4.979 1.00 0.00 N ATOM 15 CA GLU A 0 9.903 -5.162 -4.016 1.00 0.00 C ATOM 16 C GLU A 0 9.421 -5.879 -2.753 1.00 0.00 C ATOM 17 O GLU A 0 10.153 -6.623 -2.132 1.00 0.00 O ATOM 18 CB GLU A 0 10.417 -3.768 -3.647 1.00 0.00 C ATOM 19 CG GLU A 0 11.000 -3.093 -4.891 1.00 0.00 C ATOM 20 CD GLU A 0 11.579 -1.730 -4.506 1.00 0.00 C ATOM 21 OE1 GLU A 0 11.362 -1.312 -3.381 1.00 0.00 O ATOM 22 OE2 GLU A 0 12.229 -1.127 -5.344 1.00 0.00 O ATOM 0 H GLU A 0 8.510 -4.080 -5.216 1.00 0.00 H new ATOM 0 HA GLU A 0 10.708 -5.737 -4.474 1.00 0.00 H new ATOM 0 HB2 GLU A 0 9.605 -3.165 -3.240 1.00 0.00 H new ATOM 0 HB3 GLU A 0 11.178 -3.843 -2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 0 11.777 -3.720 -5.328 1.00 0.00 H new ATOM 0 HG3 GLU A 0 10.226 -2.971 -5.648 1.00 0.00 H new ATOM 29 N MET A 1 8.192 -5.660 -2.367 1.00 0.00 N ATOM 30 CA MET A 1 7.663 -6.323 -1.151 1.00 0.00 C ATOM 31 C MET A 1 6.916 -7.588 -1.559 1.00 0.00 C ATOM 32 O MET A 1 7.458 -8.472 -2.192 1.00 0.00 O ATOM 33 CB MET A 1 6.690 -5.365 -0.465 1.00 0.00 C ATOM 34 CG MET A 1 7.370 -4.010 -0.278 1.00 0.00 C ATOM 35 SD MET A 1 8.844 -4.209 0.753 1.00 0.00 S ATOM 36 CE MET A 1 8.000 -4.776 2.251 1.00 0.00 C ATOM 0 H MET A 1 7.533 -5.047 -2.847 1.00 0.00 H new ATOM 0 HA MET A 1 8.478 -6.582 -0.475 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.787 -5.253 -1.065 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.383 -5.768 0.500 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.645 -3.593 -1.247 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.680 -3.306 0.188 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.604 -4.529 3.124 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.030 -4.285 2.330 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.858 -5.856 2.202 1.00 0.00 H new ATOM 46 N GLN A 2 5.665 -7.662 -1.214 1.00 0.00 N ATOM 47 CA GLN A 2 4.845 -8.848 -1.587 1.00 0.00 C ATOM 48 C GLN A 2 3.778 -8.388 -2.577 1.00 0.00 C ATOM 49 O GLN A 2 2.916 -7.598 -2.245 1.00 0.00 O ATOM 50 CB GLN A 2 4.178 -9.424 -0.336 1.00 0.00 C ATOM 51 CG GLN A 2 3.475 -10.735 -0.687 1.00 0.00 C ATOM 52 CD GLN A 2 4.519 -11.823 -0.943 1.00 0.00 C ATOM 53 OE1 GLN A 2 5.458 -11.971 -0.186 1.00 0.00 O ATOM 54 NE2 GLN A 2 4.396 -12.597 -1.987 1.00 0.00 N ATOM 0 H GLN A 2 5.168 -6.946 -0.684 1.00 0.00 H new ATOM 0 HA GLN A 2 5.470 -9.620 -2.036 1.00 0.00 H new ATOM 0 HB2 GLN A 2 4.924 -9.596 0.440 1.00 0.00 H new ATOM 0 HB3 GLN A 2 3.459 -8.710 0.066 1.00 0.00 H new ATOM 0 HG2 GLN A 2 2.814 -11.035 0.127 1.00 0.00 H new ATOM 0 HG3 GLN A 2 2.851 -10.600 -1.571 1.00 0.00 H new ATOM 0 HE21 GLN A 2 3.608 -12.474 -2.623 1.00 0.00 H new ATOM 0 HE22 GLN A 2 5.088 -13.325 -2.167 1.00 0.00 H new ATOM 63 N HIS A 3 3.833 -8.849 -3.795 1.00 0.00 N ATOM 64 CA HIS A 3 2.823 -8.395 -4.788 1.00 0.00 C ATOM 65 C HIS A 3 2.712 -6.874 -4.688 1.00 0.00 C ATOM 66 O HIS A 3 1.671 -6.295 -4.931 1.00 0.00 O ATOM 67 CB HIS A 3 1.465 -9.033 -4.480 1.00 0.00 C ATOM 68 CG HIS A 3 1.621 -10.526 -4.383 1.00 0.00 C ATOM 69 ND1 HIS A 3 2.173 -11.281 -5.408 1.00 0.00 N ATOM 70 CD2 HIS A 3 1.295 -11.420 -3.392 1.00 0.00 C ATOM 71 CE1 HIS A 3 2.164 -12.568 -5.014 1.00 0.00 C ATOM 72 NE2 HIS A 3 1.640 -12.705 -3.796 1.00 0.00 N ATOM 0 H HIS A 3 4.525 -9.513 -4.142 1.00 0.00 H new ATOM 0 HA HIS A 3 3.125 -8.689 -5.793 1.00 0.00 H new ATOM 0 HB2 HIS A 3 1.069 -8.637 -3.545 1.00 0.00 H new ATOM 0 HB3 HIS A 3 0.748 -8.782 -5.262 1.00 0.00 H new ATOM 0 HD2 HIS A 3 0.841 -11.164 -2.446 1.00 0.00 H new ATOM 0 HE1 HIS A 3 2.535 -13.388 -5.611 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.518 -13.571 -3.271 1.00 0.00 H new ATOM 81 N ALA A 4 3.785 -6.224 -4.317 1.00 0.00 N ATOM 82 CA ALA A 4 3.759 -4.741 -4.179 1.00 0.00 C ATOM 83 C ALA A 4 3.357 -4.109 -5.513 1.00 0.00 C ATOM 84 O ALA A 4 2.642 -3.125 -5.556 1.00 0.00 O ATOM 85 CB ALA A 4 5.152 -4.247 -3.787 1.00 0.00 C ATOM 0 H ALA A 4 4.681 -6.661 -4.103 1.00 0.00 H new ATOM 0 HA ALA A 4 3.038 -4.460 -3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.138 -3.162 -3.685 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.444 -4.697 -2.838 1.00 0.00 H new ATOM 0 HB3 ALA A 4 5.869 -4.529 -4.558 1.00 0.00 H new ATOM 91 N SER A 5 3.810 -4.663 -6.603 1.00 0.00 N ATOM 92 CA SER A 5 3.454 -4.090 -7.930 1.00 0.00 C ATOM 93 C SER A 5 1.938 -4.148 -8.120 1.00 0.00 C ATOM 94 O SER A 5 1.350 -3.289 -8.744 1.00 0.00 O ATOM 95 CB SER A 5 4.138 -4.895 -9.035 1.00 0.00 C ATOM 96 OG SER A 5 3.576 -6.200 -9.082 1.00 0.00 O ATOM 0 H SER A 5 4.411 -5.487 -6.632 1.00 0.00 H new ATOM 0 HA SER A 5 3.787 -3.053 -7.978 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.010 -4.397 -9.996 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.210 -4.955 -8.847 1.00 0.00 H new ATOM 0 HG SER A 5 4.011 -6.718 -9.791 1.00 0.00 H new ATOM 102 N VAL A 6 1.299 -5.149 -7.580 1.00 0.00 N ATOM 103 CA VAL A 6 -0.179 -5.252 -7.729 1.00 0.00 C ATOM 104 C VAL A 6 -0.837 -4.051 -7.052 1.00 0.00 C ATOM 105 O VAL A 6 -1.741 -3.436 -7.586 1.00 0.00 O ATOM 106 CB VAL A 6 -0.668 -6.541 -7.073 1.00 0.00 C ATOM 107 CG1 VAL A 6 -2.197 -6.570 -7.079 1.00 0.00 C ATOM 108 CG2 VAL A 6 -0.132 -7.745 -7.852 1.00 0.00 C ATOM 0 H VAL A 6 1.736 -5.898 -7.043 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.442 -5.264 -8.787 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.309 -6.583 -6.045 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.545 -7.491 -6.611 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -2.579 -5.713 -6.524 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.558 -6.527 -8.107 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.481 -8.666 -7.384 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.491 -7.702 -8.880 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.958 -7.726 -7.847 1.00 0.00 H new ATOM 118 N ILE A 7 -0.380 -3.706 -5.881 1.00 0.00 N ATOM 119 CA ILE A 7 -0.965 -2.541 -5.164 1.00 0.00 C ATOM 120 C ILE A 7 -0.781 -1.288 -6.017 1.00 0.00 C ATOM 121 O ILE A 7 -1.658 -0.453 -6.118 1.00 0.00 O ATOM 122 CB ILE A 7 -0.239 -2.349 -3.835 1.00 0.00 C ATOM 123 CG1 ILE A 7 -0.375 -3.615 -2.990 1.00 0.00 C ATOM 124 CG2 ILE A 7 -0.855 -1.167 -3.086 1.00 0.00 C ATOM 125 CD1 ILE A 7 0.576 -3.529 -1.797 1.00 0.00 C ATOM 0 H ILE A 7 0.376 -4.183 -5.389 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.025 -2.716 -4.982 1.00 0.00 H new ATOM 0 HB ILE A 7 0.816 -2.151 -4.023 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.402 -3.726 -2.644 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.144 -4.494 -3.591 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.338 -1.028 -2.137 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.757 -0.264 -3.688 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.910 -1.365 -2.899 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.482 -4.430 -1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.601 -3.437 -2.155 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.324 -2.658 -1.193 1.00 0.00 H new ATOM 137 N ALA A 8 0.363 -1.152 -6.627 1.00 0.00 N ATOM 138 CA ALA A 8 0.619 0.045 -7.471 1.00 0.00 C ATOM 139 C ALA A 8 -0.398 0.092 -8.615 1.00 0.00 C ATOM 140 O ALA A 8 -0.870 1.144 -8.996 1.00 0.00 O ATOM 141 CB ALA A 8 2.034 -0.037 -8.044 1.00 0.00 C ATOM 0 H ALA A 8 1.132 -1.820 -6.577 1.00 0.00 H new ATOM 0 HA ALA A 8 0.522 0.947 -6.867 1.00 0.00 H new ATOM 0 HB1 ALA A 8 2.227 0.839 -8.664 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.756 -0.070 -7.228 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.130 -0.938 -8.649 1.00 0.00 H new ATOM 147 N GLN A 9 -0.738 -1.040 -9.169 1.00 0.00 N ATOM 148 CA GLN A 9 -1.723 -1.053 -10.288 1.00 0.00 C ATOM 149 C GLN A 9 -3.088 -0.569 -9.793 1.00 0.00 C ATOM 150 O GLN A 9 -3.784 0.154 -10.477 1.00 0.00 O ATOM 151 CB GLN A 9 -1.862 -2.476 -10.830 1.00 0.00 C ATOM 152 CG GLN A 9 -0.541 -2.919 -11.459 1.00 0.00 C ATOM 153 CD GLN A 9 -0.708 -4.311 -12.070 1.00 0.00 C ATOM 154 OE1 GLN A 9 -0.359 -5.358 -11.375 1.00 0.00 O flip ATOM 155 NE2 GLN A 9 -1.163 -4.447 -13.188 1.00 0.00 N flip ATOM 0 H GLN A 9 -0.377 -1.954 -8.896 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.370 -0.389 -11.077 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -2.139 -3.157 -10.025 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -2.660 -2.517 -11.571 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -0.235 -2.208 -12.226 1.00 0.00 H new ATOM 0 HG3 GLN A 9 0.246 -2.933 -10.705 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -1.436 -3.628 -13.731 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -1.272 -5.381 -13.584 1.00 0.00 H new ATOM 164 N PHE A 10 -3.485 -0.973 -8.619 1.00 0.00 N ATOM 165 CA PHE A 10 -4.819 -0.541 -8.101 1.00 0.00 C ATOM 166 C PHE A 10 -4.866 0.974 -7.909 1.00 0.00 C ATOM 167 O PHE A 10 -5.779 1.633 -8.361 1.00 0.00 O ATOM 168 CB PHE A 10 -5.095 -1.217 -6.756 1.00 0.00 C ATOM 169 CG PHE A 10 -5.631 -2.612 -6.972 1.00 0.00 C ATOM 170 CD1 PHE A 10 -6.970 -2.796 -7.338 1.00 0.00 C ATOM 171 CD2 PHE A 10 -4.797 -3.721 -6.790 1.00 0.00 C ATOM 172 CE1 PHE A 10 -7.475 -4.089 -7.522 1.00 0.00 C ATOM 173 CE2 PHE A 10 -5.301 -5.014 -6.977 1.00 0.00 C ATOM 174 CZ PHE A 10 -6.640 -5.197 -7.341 1.00 0.00 C ATOM 0 H PHE A 10 -2.950 -1.579 -7.997 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.575 -0.830 -8.831 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.179 -1.259 -6.167 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.813 -0.628 -6.186 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -7.614 -1.940 -7.478 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.765 -3.580 -6.505 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.508 -4.231 -7.803 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.657 -5.870 -6.840 1.00 0.00 H new ATOM 0 HZ PHE A 10 -7.029 -6.195 -7.482 1.00 0.00 H new ATOM 184 N VAL A 11 -3.903 1.535 -7.238 1.00 0.00 N ATOM 185 CA VAL A 11 -3.923 3.005 -7.022 1.00 0.00 C ATOM 186 C VAL A 11 -3.765 3.718 -8.364 1.00 0.00 C ATOM 187 O VAL A 11 -4.428 4.699 -8.637 1.00 0.00 O ATOM 188 CB VAL A 11 -2.777 3.398 -6.090 1.00 0.00 C ATOM 189 CG1 VAL A 11 -2.989 2.751 -4.720 1.00 0.00 C ATOM 190 CG2 VAL A 11 -1.454 2.911 -6.680 1.00 0.00 C ATOM 0 H VAL A 11 -3.107 1.043 -6.832 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.871 3.295 -6.569 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.752 4.482 -5.981 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.172 3.031 -4.055 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.934 3.094 -4.298 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.012 1.667 -4.829 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.635 3.190 -6.017 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.481 1.827 -6.787 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.301 3.368 -7.658 1.00 0.00 H new ATOM 200 N VAL A 12 -2.900 3.230 -9.208 1.00 0.00 N ATOM 201 CA VAL A 12 -2.714 3.880 -10.533 1.00 0.00 C ATOM 202 C VAL A 12 -4.008 3.777 -11.344 1.00 0.00 C ATOM 203 O VAL A 12 -4.466 4.742 -11.920 1.00 0.00 O ATOM 204 CB VAL A 12 -1.578 3.188 -11.285 1.00 0.00 C ATOM 205 CG1 VAL A 12 -1.521 3.708 -12.723 1.00 0.00 C ATOM 206 CG2 VAL A 12 -0.249 3.486 -10.587 1.00 0.00 C ATOM 0 H VAL A 12 -2.316 2.412 -9.038 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.465 4.931 -10.389 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.755 2.112 -11.294 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.710 3.213 -13.257 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.466 3.498 -13.223 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.346 4.784 -12.714 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.562 2.993 -11.123 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.076 4.562 -10.578 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.285 3.116 -9.562 1.00 0.00 H new ATOM 216 N GLU A 13 -4.605 2.616 -11.395 1.00 0.00 N ATOM 217 CA GLU A 13 -5.866 2.458 -12.171 1.00 0.00 C ATOM 218 C GLU A 13 -7.013 3.184 -11.469 1.00 0.00 C ATOM 219 O GLU A 13 -7.969 3.603 -12.091 1.00 0.00 O ATOM 220 CB GLU A 13 -6.199 0.974 -12.290 1.00 0.00 C ATOM 221 CG GLU A 13 -5.163 0.290 -13.177 1.00 0.00 C ATOM 222 CD GLU A 13 -5.531 -1.184 -13.353 1.00 0.00 C ATOM 223 OE1 GLU A 13 -6.441 -1.632 -12.673 1.00 0.00 O ATOM 224 OE2 GLU A 13 -4.900 -1.840 -14.164 1.00 0.00 O ATOM 0 H GLU A 13 -4.272 1.770 -10.932 1.00 0.00 H new ATOM 0 HA GLU A 13 -5.732 2.889 -13.163 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.210 0.512 -11.303 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.196 0.847 -12.712 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.119 0.783 -14.148 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -4.173 0.377 -12.730 1.00 0.00 H new ATOM 231 N GLU A 14 -6.938 3.315 -10.176 1.00 0.00 N ATOM 232 CA GLU A 14 -8.036 3.987 -9.426 1.00 0.00 C ATOM 233 C GLU A 14 -8.148 5.462 -9.828 1.00 0.00 C ATOM 234 O GLU A 14 -9.227 6.021 -9.833 1.00 0.00 O ATOM 235 CB GLU A 14 -7.760 3.887 -7.925 1.00 0.00 C ATOM 236 CG GLU A 14 -8.962 4.428 -7.147 1.00 0.00 C ATOM 237 CD GLU A 14 -8.654 4.402 -5.649 1.00 0.00 C ATOM 238 OE1 GLU A 14 -7.554 4.010 -5.297 1.00 0.00 O ATOM 239 OE2 GLU A 14 -9.525 4.773 -4.879 1.00 0.00 O ATOM 0 H GLU A 14 -6.161 2.985 -9.603 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.976 3.491 -9.666 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.571 2.850 -7.648 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -6.864 4.453 -7.671 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.186 5.446 -7.465 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.846 3.826 -7.358 1.00 0.00 H new ATOM 246 N PHE A 15 -7.054 6.104 -10.150 1.00 0.00 N ATOM 247 CA PHE A 15 -7.134 7.548 -10.532 1.00 0.00 C ATOM 248 C PHE A 15 -6.311 7.832 -11.792 1.00 0.00 C ATOM 249 O PHE A 15 -6.626 8.731 -12.546 1.00 0.00 O ATOM 250 CB PHE A 15 -6.600 8.408 -9.384 1.00 0.00 C ATOM 251 CG PHE A 15 -7.506 8.272 -8.183 1.00 0.00 C ATOM 252 CD1 PHE A 15 -8.722 8.967 -8.143 1.00 0.00 C ATOM 253 CD2 PHE A 15 -7.131 7.455 -7.111 1.00 0.00 C ATOM 254 CE1 PHE A 15 -9.561 8.844 -7.029 1.00 0.00 C ATOM 255 CE2 PHE A 15 -7.971 7.332 -5.998 1.00 0.00 C ATOM 256 CZ PHE A 15 -9.186 8.026 -5.957 1.00 0.00 C ATOM 0 H PHE A 15 -6.119 5.698 -10.165 1.00 0.00 H new ATOM 0 HA PHE A 15 -8.177 7.790 -10.735 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -5.588 8.098 -9.125 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.545 9.452 -9.694 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.012 9.597 -8.971 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -6.194 6.919 -7.142 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.498 9.380 -6.997 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.682 6.701 -5.170 1.00 0.00 H new ATOM 0 HZ PHE A 15 -9.834 7.930 -5.098 1.00 0.00 H new ATOM 266 N LEU A 16 -5.255 7.096 -12.023 1.00 0.00 N ATOM 267 CA LEU A 16 -4.419 7.356 -13.230 1.00 0.00 C ATOM 268 C LEU A 16 -4.285 6.080 -14.067 1.00 0.00 C ATOM 269 O LEU A 16 -3.283 5.397 -14.011 1.00 0.00 O ATOM 270 CB LEU A 16 -3.032 7.808 -12.774 1.00 0.00 C ATOM 271 CG LEU A 16 -3.013 9.330 -12.620 1.00 0.00 C ATOM 272 CD1 LEU A 16 -1.728 9.758 -11.910 1.00 0.00 C ATOM 273 CD2 LEU A 16 -3.077 9.989 -14.001 1.00 0.00 C ATOM 0 H LEU A 16 -4.937 6.329 -11.430 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.890 8.128 -13.839 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.777 7.333 -11.826 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.280 7.496 -13.499 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.875 9.642 -12.030 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.716 10.842 -11.801 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.685 9.294 -10.925 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.866 9.443 -12.497 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.063 11.073 -13.888 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.218 9.675 -14.594 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.995 9.688 -14.505 1.00 0.00 H new ATOM 285 N PRO A 17 -5.288 5.766 -14.844 1.00 0.00 N ATOM 286 CA PRO A 17 -5.281 4.558 -15.713 1.00 0.00 C ATOM 287 C PRO A 17 -4.460 4.765 -16.991 1.00 0.00 C ATOM 288 O PRO A 17 -4.084 3.822 -17.658 1.00 0.00 O ATOM 289 CB PRO A 17 -6.756 4.346 -16.049 1.00 0.00 C ATOM 290 CG PRO A 17 -7.396 5.693 -15.937 1.00 0.00 C ATOM 291 CD PRO A 17 -6.541 6.528 -14.978 1.00 0.00 C ATOM 0 HA PRO A 17 -4.821 3.704 -15.216 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.874 3.939 -17.053 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.216 3.636 -15.361 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -7.456 6.172 -16.914 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.416 5.603 -15.563 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.358 7.526 -15.376 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.034 6.654 -14.014 1.00 0.00 H new ATOM 299 N ASP A 18 -4.188 5.993 -17.341 1.00 0.00 N ATOM 300 CA ASP A 18 -3.403 6.264 -18.575 1.00 0.00 C ATOM 301 C ASP A 18 -1.914 6.382 -18.237 1.00 0.00 C ATOM 302 O ASP A 18 -1.110 6.738 -19.075 1.00 0.00 O ATOM 303 CB ASP A 18 -3.888 7.573 -19.192 1.00 0.00 C ATOM 304 CG ASP A 18 -5.315 7.396 -19.715 1.00 0.00 C ATOM 305 OD1 ASP A 18 -5.764 6.264 -19.783 1.00 0.00 O ATOM 306 OD2 ASP A 18 -5.933 8.397 -20.040 1.00 0.00 O ATOM 0 H ASP A 18 -4.478 6.822 -16.822 1.00 0.00 H new ATOM 0 HA ASP A 18 -3.541 5.444 -19.279 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.858 8.370 -18.449 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -3.226 7.871 -20.005 1.00 0.00 H new ATOM 311 N VAL A 19 -1.542 6.089 -17.019 1.00 0.00 N ATOM 312 CA VAL A 19 -0.103 6.189 -16.630 1.00 0.00 C ATOM 313 C VAL A 19 0.450 4.795 -16.330 1.00 0.00 C ATOM 314 O VAL A 19 -0.183 3.994 -15.670 1.00 0.00 O ATOM 315 CB VAL A 19 0.025 7.067 -15.385 1.00 0.00 C ATOM 316 CG1 VAL A 19 1.502 7.240 -15.030 1.00 0.00 C ATOM 317 CG2 VAL A 19 -0.594 8.438 -15.667 1.00 0.00 C ATOM 0 H VAL A 19 -2.172 5.785 -16.276 1.00 0.00 H new ATOM 0 HA VAL A 19 0.463 6.631 -17.450 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.495 6.594 -14.552 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.592 7.866 -14.142 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.945 6.264 -14.832 1.00 0.00 H new ATOM 0 HG13 VAL A 19 2.023 7.713 -15.862 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.504 9.067 -14.781 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -0.072 8.908 -16.500 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.647 8.317 -15.921 1.00 0.00 H new ATOM 327 N ALA A 20 1.627 4.498 -16.811 1.00 0.00 N ATOM 328 CA ALA A 20 2.221 3.156 -16.556 1.00 0.00 C ATOM 329 C ALA A 20 2.664 3.061 -15.083 1.00 0.00 C ATOM 330 O ALA A 20 3.535 3.791 -14.657 1.00 0.00 O ATOM 331 CB ALA A 20 3.444 2.974 -17.457 1.00 0.00 C ATOM 0 H ALA A 20 2.203 5.128 -17.370 1.00 0.00 H new ATOM 0 HA ALA A 20 1.482 2.383 -16.766 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.886 1.994 -17.277 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.141 3.049 -18.501 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.178 3.749 -17.235 1.00 0.00 H new ATOM 337 N PRO A 21 2.090 2.165 -14.304 1.00 0.00 N ATOM 338 CA PRO A 21 2.474 2.001 -12.870 1.00 0.00 C ATOM 339 C PRO A 21 3.986 1.825 -12.688 1.00 0.00 C ATOM 340 O PRO A 21 4.534 2.117 -11.644 1.00 0.00 O ATOM 341 CB PRO A 21 1.750 0.727 -12.429 1.00 0.00 C ATOM 342 CG PRO A 21 0.619 0.548 -13.383 1.00 0.00 C ATOM 343 CD PRO A 21 1.017 1.229 -14.690 1.00 0.00 C ATOM 0 HA PRO A 21 2.205 2.882 -12.288 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.421 -0.132 -12.453 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.387 0.819 -11.405 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.418 -0.511 -13.547 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -0.295 0.988 -12.983 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.367 0.504 -15.425 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.173 1.754 -15.137 1.00 0.00 H new ATOM 351 N ALA A 22 4.660 1.342 -13.694 1.00 0.00 N ATOM 352 CA ALA A 22 6.133 1.137 -13.581 1.00 0.00 C ATOM 353 C ALA A 22 6.834 2.488 -13.410 1.00 0.00 C ATOM 354 O ALA A 22 7.946 2.562 -12.928 1.00 0.00 O ATOM 355 CB ALA A 22 6.651 0.455 -14.849 1.00 0.00 C ATOM 0 H ALA A 22 4.254 1.079 -14.592 1.00 0.00 H new ATOM 0 HA ALA A 22 6.342 0.510 -12.714 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.728 0.305 -14.767 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.158 -0.510 -14.971 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.437 1.083 -15.714 1.00 0.00 H new ATOM 361 N ASP A 23 6.197 3.553 -13.806 1.00 0.00 N ATOM 362 CA ASP A 23 6.833 4.895 -13.673 1.00 0.00 C ATOM 363 C ASP A 23 6.598 5.453 -12.266 1.00 0.00 C ATOM 364 O ASP A 23 6.912 6.592 -11.985 1.00 0.00 O ATOM 365 CB ASP A 23 6.237 5.848 -14.712 1.00 0.00 C ATOM 366 CG ASP A 23 4.748 6.061 -14.424 1.00 0.00 C ATOM 367 OD1 ASP A 23 4.307 5.677 -13.354 1.00 0.00 O ATOM 368 OD2 ASP A 23 4.073 6.606 -15.283 1.00 0.00 O ATOM 0 H ASP A 23 5.263 3.554 -14.216 1.00 0.00 H new ATOM 0 HA ASP A 23 7.906 4.799 -13.840 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.762 6.803 -14.687 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.368 5.438 -15.713 1.00 0.00 H new ATOM 373 N VAL A 24 6.048 4.665 -11.380 1.00 0.00 N ATOM 374 CA VAL A 24 5.798 5.166 -9.996 1.00 0.00 C ATOM 375 C VAL A 24 6.829 4.566 -9.044 1.00 0.00 C ATOM 376 O VAL A 24 7.036 3.369 -9.015 1.00 0.00 O ATOM 377 CB VAL A 24 4.407 4.737 -9.538 1.00 0.00 C ATOM 378 CG1 VAL A 24 4.035 5.490 -8.259 1.00 0.00 C ATOM 379 CG2 VAL A 24 3.385 5.049 -10.634 1.00 0.00 C ATOM 0 H VAL A 24 5.762 3.701 -11.553 1.00 0.00 H new ATOM 0 HA VAL A 24 5.872 6.253 -9.993 1.00 0.00 H new ATOM 0 HB VAL A 24 4.406 3.665 -9.340 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.041 5.183 -7.932 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.760 5.262 -7.478 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.038 6.562 -8.454 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.393 4.742 -10.304 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.384 6.120 -10.837 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.649 4.508 -11.543 1.00 0.00 H new ATOM 389 N ASP A 25 7.470 5.380 -8.254 1.00 0.00 N ATOM 390 CA ASP A 25 8.472 4.838 -7.300 1.00 0.00 C ATOM 391 C ASP A 25 7.776 4.490 -5.982 1.00 0.00 C ATOM 392 O ASP A 25 7.204 5.341 -5.329 1.00 0.00 O ATOM 393 CB ASP A 25 9.553 5.892 -7.044 1.00 0.00 C ATOM 394 CG ASP A 25 10.671 5.285 -6.196 1.00 0.00 C ATOM 395 OD1 ASP A 25 10.564 4.117 -5.859 1.00 0.00 O ATOM 396 OD2 ASP A 25 11.615 5.997 -5.897 1.00 0.00 O ATOM 0 H ASP A 25 7.344 6.392 -8.228 1.00 0.00 H new ATOM 0 HA ASP A 25 8.931 3.942 -7.719 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.956 6.252 -7.991 1.00 0.00 H new ATOM 0 HB3 ASP A 25 9.122 6.753 -6.533 1.00 0.00 H new ATOM 401 N VAL A 26 7.824 3.251 -5.581 1.00 0.00 N ATOM 402 CA VAL A 26 7.170 2.856 -4.305 1.00 0.00 C ATOM 403 C VAL A 26 8.017 3.347 -3.129 1.00 0.00 C ATOM 404 O VAL A 26 7.713 3.086 -1.984 1.00 0.00 O ATOM 405 CB VAL A 26 7.059 1.332 -4.252 1.00 0.00 C ATOM 406 CG1 VAL A 26 6.312 0.831 -5.489 1.00 0.00 C ATOM 407 CG2 VAL A 26 8.463 0.721 -4.223 1.00 0.00 C ATOM 0 H VAL A 26 8.289 2.494 -6.083 1.00 0.00 H new ATOM 0 HA VAL A 26 6.176 3.299 -4.246 1.00 0.00 H new ATOM 0 HB VAL A 26 6.514 1.038 -3.355 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.233 -0.255 -5.451 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.313 1.267 -5.512 1.00 0.00 H new ATOM 0 HG13 VAL A 26 6.857 1.124 -6.386 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.386 -0.366 -4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.007 1.015 -5.121 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.997 1.078 -3.342 1.00 0.00 H new ATOM 417 N ASP A 27 9.074 4.065 -3.404 1.00 0.00 N ATOM 418 CA ASP A 27 9.933 4.581 -2.306 1.00 0.00 C ATOM 419 C ASP A 27 9.408 5.945 -1.857 1.00 0.00 C ATOM 420 O ASP A 27 9.813 6.477 -0.843 1.00 0.00 O ATOM 421 CB ASP A 27 11.366 4.726 -2.815 1.00 0.00 C ATOM 422 CG ASP A 27 11.948 3.341 -3.107 1.00 0.00 C ATOM 423 OD1 ASP A 27 11.338 2.366 -2.699 1.00 0.00 O ATOM 424 OD2 ASP A 27 12.993 3.279 -3.733 1.00 0.00 O ATOM 0 H ASP A 27 9.377 4.315 -4.345 1.00 0.00 H new ATOM 0 HA ASP A 27 9.915 3.889 -1.464 1.00 0.00 H new ATOM 0 HB2 ASP A 27 11.382 5.336 -3.718 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.977 5.239 -2.072 1.00 0.00 H new ATOM 429 N LEU A 28 8.505 6.512 -2.608 1.00 0.00 N ATOM 430 CA LEU A 28 7.944 7.838 -2.232 1.00 0.00 C ATOM 431 C LEU A 28 6.638 7.628 -1.474 1.00 0.00 C ATOM 432 O LEU A 28 5.837 6.784 -1.824 1.00 0.00 O ATOM 433 CB LEU A 28 7.677 8.657 -3.495 1.00 0.00 C ATOM 434 CG LEU A 28 7.183 10.054 -3.110 1.00 0.00 C ATOM 435 CD1 LEU A 28 8.312 10.834 -2.431 1.00 0.00 C ATOM 436 CD2 LEU A 28 6.738 10.800 -4.369 1.00 0.00 C ATOM 0 H LEU A 28 8.131 6.112 -3.469 1.00 0.00 H new ATOM 0 HA LEU A 28 8.654 8.373 -1.601 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.587 8.734 -4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 28 6.933 8.156 -4.114 1.00 0.00 H new ATOM 0 HG LEU A 28 6.343 9.962 -2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.955 11.827 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.631 10.305 -1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 28 9.154 10.926 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.386 11.795 -4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.579 10.888 -5.056 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.931 10.249 -4.852 1.00 0.00 H new ATOM 448 N ASP A 29 6.414 8.379 -0.434 1.00 0.00 N ATOM 449 CA ASP A 29 5.158 8.200 0.336 1.00 0.00 C ATOM 450 C ASP A 29 3.964 8.413 -0.591 1.00 0.00 C ATOM 451 O ASP A 29 3.914 9.349 -1.364 1.00 0.00 O ATOM 452 CB ASP A 29 5.109 9.210 1.486 1.00 0.00 C ATOM 453 CG ASP A 29 6.209 8.885 2.497 1.00 0.00 C ATOM 454 OD1 ASP A 29 6.774 7.807 2.403 1.00 0.00 O ATOM 455 OD2 ASP A 29 6.467 9.717 3.350 1.00 0.00 O ATOM 0 H ASP A 29 7.042 9.104 -0.087 1.00 0.00 H new ATOM 0 HA ASP A 29 5.123 7.191 0.747 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.241 10.221 1.102 1.00 0.00 H new ATOM 0 HB3 ASP A 29 4.133 9.178 1.971 1.00 0.00 H new ATOM 460 N LEU A 30 3.011 7.532 -0.522 1.00 0.00 N ATOM 461 CA LEU A 30 1.814 7.637 -1.395 1.00 0.00 C ATOM 462 C LEU A 30 0.990 8.869 -1.012 1.00 0.00 C ATOM 463 O LEU A 30 0.433 9.540 -1.856 1.00 0.00 O ATOM 464 CB LEU A 30 0.964 6.382 -1.204 1.00 0.00 C ATOM 465 CG LEU A 30 0.185 6.090 -2.483 1.00 0.00 C ATOM 466 CD1 LEU A 30 -0.604 4.794 -2.305 1.00 0.00 C ATOM 467 CD2 LEU A 30 -0.776 7.241 -2.769 1.00 0.00 C ATOM 0 H LEU A 30 3.010 6.732 0.111 1.00 0.00 H new ATOM 0 HA LEU A 30 2.126 7.731 -2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.601 5.534 -0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.275 6.521 -0.371 1.00 0.00 H new ATOM 0 HG LEU A 30 0.877 5.984 -3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.163 4.580 -3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.084 3.974 -2.101 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.297 4.902 -1.471 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.332 7.032 -3.683 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.472 7.349 -1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.211 8.165 -2.892 1.00 0.00 H new ATOM 479 N VAL A 31 0.889 9.162 0.251 1.00 0.00 N ATOM 480 CA VAL A 31 0.079 10.338 0.679 1.00 0.00 C ATOM 481 C VAL A 31 0.679 11.627 0.124 1.00 0.00 C ATOM 482 O VAL A 31 -0.031 12.548 -0.227 1.00 0.00 O ATOM 483 CB VAL A 31 0.038 10.411 2.199 1.00 0.00 C ATOM 484 CG1 VAL A 31 -0.643 11.715 2.614 1.00 0.00 C ATOM 485 CG2 VAL A 31 -0.758 9.222 2.736 1.00 0.00 C ATOM 0 H VAL A 31 1.331 8.640 1.008 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.933 10.223 0.292 1.00 0.00 H new ATOM 0 HB VAL A 31 1.050 10.382 2.604 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.678 11.777 3.702 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.080 12.561 2.220 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.658 11.738 2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.791 9.268 3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.773 9.255 2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.278 8.293 2.427 1.00 0.00 H new ATOM 495 N ASP A 32 1.976 11.710 0.037 1.00 0.00 N ATOM 496 CA ASP A 32 2.593 12.952 -0.499 1.00 0.00 C ATOM 497 C ASP A 32 1.945 13.262 -1.845 1.00 0.00 C ATOM 498 O ASP A 32 1.764 14.405 -2.216 1.00 0.00 O ATOM 499 CB ASP A 32 4.097 12.741 -0.687 1.00 0.00 C ATOM 500 CG ASP A 32 4.762 14.077 -1.023 1.00 0.00 C ATOM 501 OD1 ASP A 32 4.074 15.083 -0.991 1.00 0.00 O ATOM 502 OD2 ASP A 32 5.948 14.070 -1.307 1.00 0.00 O ATOM 0 H ASP A 32 2.631 10.978 0.312 1.00 0.00 H new ATOM 0 HA ASP A 32 2.439 13.779 0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.533 12.324 0.221 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.277 12.022 -1.486 1.00 0.00 H new ATOM 507 N ASN A 33 1.586 12.243 -2.572 1.00 0.00 N ATOM 508 CA ASN A 33 0.936 12.452 -3.893 1.00 0.00 C ATOM 509 C ASN A 33 -0.484 12.984 -3.698 1.00 0.00 C ATOM 510 O ASN A 33 -0.978 13.768 -4.485 1.00 0.00 O ATOM 511 CB ASN A 33 0.870 11.116 -4.624 1.00 0.00 C ATOM 512 CG ASN A 33 2.280 10.671 -5.014 1.00 0.00 C ATOM 513 OD1 ASN A 33 3.199 11.465 -5.026 1.00 0.00 O ATOM 514 ND2 ASN A 33 2.493 9.424 -5.335 1.00 0.00 N ATOM 0 H ASN A 33 1.716 11.267 -2.305 1.00 0.00 H new ATOM 0 HA ASN A 33 1.513 13.174 -4.471 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.404 10.364 -3.986 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.248 11.208 -5.514 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.430 9.117 -5.595 1.00 0.00 H new ATOM 0 HD22 ASN A 33 1.722 8.756 -5.325 1.00 0.00 H new ATOM 521 N GLY A 34 -1.151 12.556 -2.662 1.00 0.00 N ATOM 522 CA GLY A 34 -2.545 13.027 -2.424 1.00 0.00 C ATOM 523 C GLY A 34 -3.510 12.157 -3.227 1.00 0.00 C ATOM 524 O GLY A 34 -4.696 12.412 -3.285 1.00 0.00 O ATOM 0 H GLY A 34 -0.791 11.900 -1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.784 12.972 -1.362 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.645 14.071 -2.720 1.00 0.00 H new ATOM 528 N VAL A 35 -3.006 11.124 -3.843 1.00 0.00 N ATOM 529 CA VAL A 35 -3.886 10.226 -4.638 1.00 0.00 C ATOM 530 C VAL A 35 -4.931 9.605 -3.713 1.00 0.00 C ATOM 531 O VAL A 35 -6.059 9.371 -4.100 1.00 0.00 O ATOM 532 CB VAL A 35 -3.045 9.119 -5.275 1.00 0.00 C ATOM 533 CG1 VAL A 35 -3.966 8.102 -5.952 1.00 0.00 C ATOM 534 CG2 VAL A 35 -2.106 9.730 -6.319 1.00 0.00 C ATOM 0 H VAL A 35 -2.020 10.863 -3.829 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.382 10.797 -5.423 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.458 8.620 -4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.366 7.313 -6.406 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.636 7.667 -5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.554 8.600 -6.723 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.506 8.942 -6.774 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.694 10.229 -7.089 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.449 10.454 -5.838 1.00 0.00 H new ATOM 544 N ILE A 36 -4.563 9.335 -2.491 1.00 0.00 N ATOM 545 CA ILE A 36 -5.530 8.726 -1.539 1.00 0.00 C ATOM 546 C ILE A 36 -6.418 9.817 -0.939 1.00 0.00 C ATOM 547 O ILE A 36 -5.963 10.679 -0.216 1.00 0.00 O ATOM 548 CB ILE A 36 -4.762 8.023 -0.421 1.00 0.00 C ATOM 549 CG1 ILE A 36 -3.899 6.914 -1.019 1.00 0.00 C ATOM 550 CG2 ILE A 36 -5.744 7.405 0.568 1.00 0.00 C ATOM 551 CD1 ILE A 36 -2.956 6.348 0.046 1.00 0.00 C ATOM 0 H ILE A 36 -3.633 9.511 -2.111 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.153 8.004 -2.066 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.132 8.750 0.093 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.534 6.120 -1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.321 7.304 -1.857 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.192 6.905 1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -6.370 8.188 0.997 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.373 6.680 0.051 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.345 5.558 -0.391 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.309 7.142 0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -3.541 5.940 0.870 1.00 0.00 H new ATOM 563 N ASP A 37 -7.687 9.774 -1.235 1.00 0.00 N ATOM 564 CA ASP A 37 -8.626 10.788 -0.694 1.00 0.00 C ATOM 565 C ASP A 37 -9.566 10.111 0.304 1.00 0.00 C ATOM 566 O ASP A 37 -9.357 8.980 0.696 1.00 0.00 O ATOM 567 CB ASP A 37 -9.440 11.375 -1.846 1.00 0.00 C ATOM 568 CG ASP A 37 -8.527 12.209 -2.746 1.00 0.00 C ATOM 569 OD1 ASP A 37 -7.406 12.469 -2.342 1.00 0.00 O ATOM 570 OD2 ASP A 37 -8.964 12.573 -3.826 1.00 0.00 O ATOM 0 H ASP A 37 -8.116 9.070 -1.836 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.074 11.584 -0.194 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -9.903 10.574 -2.423 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.247 11.995 -1.456 1.00 0.00 H new ATOM 575 N ALA A 38 -10.603 10.787 0.713 1.00 0.00 N ATOM 576 CA ALA A 38 -11.552 10.169 1.680 1.00 0.00 C ATOM 577 C ALA A 38 -12.217 8.967 1.013 1.00 0.00 C ATOM 578 O ALA A 38 -12.171 7.858 1.511 1.00 0.00 O ATOM 579 CB ALA A 38 -12.619 11.191 2.078 1.00 0.00 C ATOM 0 H ALA A 38 -10.834 11.737 0.421 1.00 0.00 H new ATOM 0 HA ALA A 38 -11.016 9.849 2.574 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.312 10.736 2.786 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.141 12.054 2.542 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.165 11.512 1.191 1.00 0.00 H new ATOM 585 N LEU A 39 -12.805 9.175 -0.130 1.00 0.00 N ATOM 586 CA LEU A 39 -13.439 8.045 -0.851 1.00 0.00 C ATOM 587 C LEU A 39 -12.320 7.155 -1.362 1.00 0.00 C ATOM 588 O LEU A 39 -12.441 5.948 -1.431 1.00 0.00 O ATOM 589 CB LEU A 39 -14.261 8.574 -2.025 1.00 0.00 C ATOM 590 CG LEU A 39 -15.269 9.606 -1.523 1.00 0.00 C ATOM 591 CD1 LEU A 39 -16.209 9.999 -2.663 1.00 0.00 C ATOM 592 CD2 LEU A 39 -16.082 9.009 -0.372 1.00 0.00 C ATOM 0 H LEU A 39 -12.873 10.081 -0.595 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.106 7.489 -0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.603 9.025 -2.768 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.781 7.752 -2.517 1.00 0.00 H new ATOM 0 HG LEU A 39 -14.738 10.490 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -16.928 10.735 -2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -15.630 10.426 -3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -16.740 9.116 -3.017 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -16.801 9.746 -0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.613 8.124 -0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.412 8.731 0.441 1.00 0.00 H new ATOM 604 N GLY A 40 -11.216 7.758 -1.703 1.00 0.00 N ATOM 605 CA GLY A 40 -10.061 6.972 -2.195 1.00 0.00 C ATOM 606 C GLY A 40 -9.647 5.986 -1.108 1.00 0.00 C ATOM 607 O GLY A 40 -9.330 4.843 -1.374 1.00 0.00 O ATOM 0 H GLY A 40 -11.067 8.766 -1.660 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -10.327 6.439 -3.108 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.231 7.633 -2.442 1.00 0.00 H new ATOM 611 N LEU A 41 -9.660 6.421 0.122 1.00 0.00 N ATOM 612 CA LEU A 41 -9.285 5.519 1.236 1.00 0.00 C ATOM 613 C LEU A 41 -10.316 4.396 1.340 1.00 0.00 C ATOM 614 O LEU A 41 -9.980 3.243 1.522 1.00 0.00 O ATOM 615 CB LEU A 41 -9.264 6.325 2.536 1.00 0.00 C ATOM 616 CG LEU A 41 -8.722 5.466 3.677 1.00 0.00 C ATOM 617 CD1 LEU A 41 -7.855 6.335 4.588 1.00 0.00 C ATOM 618 CD2 LEU A 41 -9.891 4.898 4.485 1.00 0.00 C ATOM 0 H LEU A 41 -9.916 7.368 0.400 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.300 5.087 1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.644 7.213 2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.270 6.669 2.776 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.128 4.647 3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.464 5.729 5.405 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.026 6.749 4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.456 7.148 4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.506 4.285 5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.482 5.717 4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.519 4.287 3.836 1.00 0.00 H new ATOM 630 N LEU A 42 -11.571 4.728 1.221 1.00 0.00 N ATOM 631 CA LEU A 42 -12.628 3.682 1.311 1.00 0.00 C ATOM 632 C LEU A 42 -12.422 2.660 0.195 1.00 0.00 C ATOM 633 O LEU A 42 -12.477 1.465 0.411 1.00 0.00 O ATOM 634 CB LEU A 42 -13.997 4.348 1.139 1.00 0.00 C ATOM 635 CG LEU A 42 -15.108 3.299 1.216 1.00 0.00 C ATOM 636 CD1 LEU A 42 -15.681 3.259 2.632 1.00 0.00 C ATOM 637 CD2 LEU A 42 -16.214 3.660 0.222 1.00 0.00 C ATOM 0 H LEU A 42 -11.911 5.677 1.065 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.575 3.182 2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.143 5.101 1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -14.040 4.865 0.180 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.701 2.319 0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -16.472 2.511 2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.891 3.001 3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -16.089 4.237 2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -17.008 2.915 0.274 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -16.620 4.641 0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.803 3.682 -0.787 1.00 0.00 H new ATOM 649 N LYS A 43 -12.192 3.122 -0.994 1.00 0.00 N ATOM 650 CA LYS A 43 -11.987 2.188 -2.131 1.00 0.00 C ATOM 651 C LYS A 43 -10.764 1.311 -1.861 1.00 0.00 C ATOM 652 O LYS A 43 -10.721 0.153 -2.229 1.00 0.00 O ATOM 653 CB LYS A 43 -11.771 2.990 -3.411 1.00 0.00 C ATOM 654 CG LYS A 43 -13.051 3.749 -3.763 1.00 0.00 C ATOM 655 CD LYS A 43 -12.871 4.458 -5.107 1.00 0.00 C ATOM 656 CE LYS A 43 -14.106 5.309 -5.407 1.00 0.00 C ATOM 657 NZ LYS A 43 -14.447 6.128 -4.211 1.00 0.00 N ATOM 0 H LYS A 43 -12.136 4.112 -1.232 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.866 1.553 -2.244 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -10.946 3.690 -3.279 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.495 2.323 -4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.893 3.059 -3.814 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.281 4.476 -2.984 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -11.981 5.087 -5.082 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.721 3.725 -5.899 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.915 5.957 -6.262 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.946 4.668 -5.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.957 6.984 -4.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.049 5.573 -3.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.574 6.401 -3.716 1.00 0.00 H new ATOM 671 N VAL A 44 -9.764 1.858 -1.227 1.00 0.00 N ATOM 672 CA VAL A 44 -8.535 1.068 -0.936 1.00 0.00 C ATOM 673 C VAL A 44 -8.883 -0.119 -0.038 1.00 0.00 C ATOM 674 O VAL A 44 -8.495 -1.242 -0.293 1.00 0.00 O ATOM 675 CB VAL A 44 -7.521 1.962 -0.222 1.00 0.00 C ATOM 676 CG1 VAL A 44 -6.352 1.110 0.278 1.00 0.00 C ATOM 677 CG2 VAL A 44 -6.999 3.019 -1.197 1.00 0.00 C ATOM 0 H VAL A 44 -9.745 2.823 -0.896 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.111 0.700 -1.870 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.002 2.452 0.624 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.629 1.747 0.787 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.722 0.355 0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.871 0.620 -0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.276 3.657 -0.689 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.518 2.528 -2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.830 3.626 -1.555 1.00 0.00 H new ATOM 687 N ILE A 45 -9.603 0.128 1.016 1.00 0.00 N ATOM 688 CA ILE A 45 -9.978 -0.970 1.948 1.00 0.00 C ATOM 689 C ILE A 45 -10.960 -1.940 1.282 1.00 0.00 C ATOM 690 O ILE A 45 -10.973 -3.114 1.582 1.00 0.00 O ATOM 691 CB ILE A 45 -10.632 -0.366 3.193 1.00 0.00 C ATOM 692 CG1 ILE A 45 -9.559 -0.010 4.229 1.00 0.00 C ATOM 693 CG2 ILE A 45 -11.604 -1.376 3.797 1.00 0.00 C ATOM 694 CD1 ILE A 45 -8.727 1.175 3.732 1.00 0.00 C ATOM 0 H ILE A 45 -9.952 1.051 1.275 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.078 -1.521 2.221 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.170 0.539 2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.028 0.238 5.181 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.913 -0.870 4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -12.070 -0.947 4.684 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.374 -1.623 3.066 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.063 -2.281 4.074 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.967 1.422 4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.244 0.911 2.791 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.377 2.036 3.578 1.00 0.00 H new ATOM 706 N ALA A 46 -11.806 -1.459 0.412 1.00 0.00 N ATOM 707 CA ALA A 46 -12.810 -2.362 -0.228 1.00 0.00 C ATOM 708 C ALA A 46 -12.144 -3.392 -1.151 1.00 0.00 C ATOM 709 O ALA A 46 -12.419 -4.575 -1.071 1.00 0.00 O ATOM 710 CB ALA A 46 -13.781 -1.516 -1.050 1.00 0.00 C ATOM 0 H ALA A 46 -11.847 -0.484 0.116 1.00 0.00 H new ATOM 0 HA ALA A 46 -13.332 -2.903 0.561 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -14.519 -2.165 -1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.288 -0.806 -0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -13.230 -0.973 -1.818 1.00 0.00 H new ATOM 716 N TRP A 47 -11.283 -2.966 -2.031 1.00 0.00 N ATOM 717 CA TRP A 47 -10.637 -3.949 -2.951 1.00 0.00 C ATOM 718 C TRP A 47 -9.482 -4.649 -2.240 1.00 0.00 C ATOM 719 O TRP A 47 -9.302 -5.844 -2.354 1.00 0.00 O ATOM 720 CB TRP A 47 -10.107 -3.232 -4.193 1.00 0.00 C ATOM 721 CG TRP A 47 -8.633 -3.464 -4.308 1.00 0.00 C ATOM 722 CD1 TRP A 47 -8.047 -4.639 -4.634 1.00 0.00 C ATOM 723 CD2 TRP A 47 -7.553 -2.514 -4.100 1.00 0.00 C ATOM 724 NE1 TRP A 47 -6.674 -4.469 -4.628 1.00 0.00 N ATOM 725 CE2 TRP A 47 -6.321 -3.174 -4.305 1.00 0.00 C ATOM 726 CE3 TRP A 47 -7.528 -1.157 -3.753 1.00 0.00 C ATOM 727 CZ2 TRP A 47 -5.104 -2.508 -4.169 1.00 0.00 C ATOM 728 CZ3 TRP A 47 -6.307 -0.478 -3.615 1.00 0.00 C ATOM 729 CH2 TRP A 47 -5.096 -1.154 -3.822 1.00 0.00 C ATOM 0 H TRP A 47 -11.000 -1.994 -2.155 1.00 0.00 H new ATOM 0 HA TRP A 47 -11.380 -4.689 -3.249 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -10.615 -3.601 -5.084 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -10.314 -2.164 -4.126 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -8.566 -5.559 -4.862 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.005 -5.210 -4.837 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -8.456 -0.629 -3.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -4.175 -3.034 -4.330 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -6.300 0.569 -3.348 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -4.158 -0.629 -3.713 1.00 0.00 H new ATOM 740 N LEU A 48 -8.687 -3.911 -1.524 1.00 0.00 N ATOM 741 CA LEU A 48 -7.531 -4.531 -0.827 1.00 0.00 C ATOM 742 C LEU A 48 -8.018 -5.617 0.136 1.00 0.00 C ATOM 743 O LEU A 48 -7.427 -6.672 0.240 1.00 0.00 O ATOM 744 CB LEU A 48 -6.783 -3.452 -0.042 1.00 0.00 C ATOM 745 CG LEU A 48 -5.508 -4.037 0.564 1.00 0.00 C ATOM 746 CD1 LEU A 48 -4.465 -4.272 -0.533 1.00 0.00 C ATOM 747 CD2 LEU A 48 -4.948 -3.058 1.598 1.00 0.00 C ATOM 0 H LEU A 48 -8.787 -2.905 -1.391 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.867 -4.983 -1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.534 -2.619 -0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.422 -3.056 0.747 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.741 -4.988 1.042 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.560 -4.689 -0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.863 -4.969 -1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.229 -3.325 -1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.038 -3.470 2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.721 -2.108 1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.686 -2.897 2.384 1.00 0.00 H new ATOM 759 N GLU A 49 -9.085 -5.370 0.845 1.00 0.00 N ATOM 760 CA GLU A 49 -9.593 -6.391 1.795 1.00 0.00 C ATOM 761 C GLU A 49 -10.241 -7.540 1.020 1.00 0.00 C ATOM 762 O GLU A 49 -10.127 -8.693 1.387 1.00 0.00 O ATOM 763 CB GLU A 49 -10.616 -5.734 2.722 1.00 0.00 C ATOM 764 CG GLU A 49 -11.951 -5.603 2.003 1.00 0.00 C ATOM 765 CD GLU A 49 -12.902 -4.743 2.838 1.00 0.00 C ATOM 766 OE1 GLU A 49 -12.529 -4.383 3.942 1.00 0.00 O ATOM 767 OE2 GLU A 49 -13.987 -4.459 2.358 1.00 0.00 O ATOM 0 H GLU A 49 -9.624 -4.505 0.805 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.771 -6.793 2.387 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.736 -6.330 3.627 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.261 -4.751 3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.804 -5.152 1.021 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.385 -6.589 1.839 1.00 0.00 H new ATOM 774 N ASP A 50 -10.929 -7.231 -0.046 1.00 0.00 N ATOM 775 CA ASP A 50 -11.596 -8.300 -0.842 1.00 0.00 C ATOM 776 C ASP A 50 -10.568 -9.324 -1.330 1.00 0.00 C ATOM 777 O ASP A 50 -10.829 -10.511 -1.367 1.00 0.00 O ATOM 778 CB ASP A 50 -12.283 -7.666 -2.047 1.00 0.00 C ATOM 779 CG ASP A 50 -13.145 -8.714 -2.756 1.00 0.00 C ATOM 780 OD1 ASP A 50 -13.245 -9.815 -2.243 1.00 0.00 O ATOM 781 OD2 ASP A 50 -13.689 -8.395 -3.801 1.00 0.00 O ATOM 0 H ASP A 50 -11.058 -6.283 -0.400 1.00 0.00 H new ATOM 0 HA ASP A 50 -12.327 -8.808 -0.213 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.902 -6.828 -1.726 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -11.538 -7.267 -2.735 1.00 0.00 H new ATOM 786 N ARG A 51 -9.410 -8.876 -1.726 1.00 0.00 N ATOM 787 CA ARG A 51 -8.375 -9.817 -2.236 1.00 0.00 C ATOM 788 C ARG A 51 -7.940 -10.811 -1.153 1.00 0.00 C ATOM 789 O ARG A 51 -7.661 -11.958 -1.441 1.00 0.00 O ATOM 790 CB ARG A 51 -7.166 -9.020 -2.712 1.00 0.00 C ATOM 791 CG ARG A 51 -7.552 -8.204 -3.946 1.00 0.00 C ATOM 792 CD ARG A 51 -6.333 -7.441 -4.469 1.00 0.00 C ATOM 793 NE ARG A 51 -5.336 -8.402 -5.024 1.00 0.00 N ATOM 794 CZ ARG A 51 -4.368 -8.860 -4.273 1.00 0.00 C ATOM 795 NH1 ARG A 51 -4.281 -8.504 -3.019 1.00 0.00 N ATOM 796 NH2 ARG A 51 -3.490 -9.684 -4.777 1.00 0.00 N ATOM 0 H ARG A 51 -9.135 -7.894 -1.718 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.803 -10.385 -3.062 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -6.817 -8.358 -1.919 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.343 -9.694 -2.950 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.939 -8.864 -4.722 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.349 -7.505 -3.695 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.638 -6.734 -5.240 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -5.883 -6.860 -3.664 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.410 -8.704 -5.996 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.970 -7.866 -2.621 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.524 -8.864 -2.438 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.560 -9.969 -5.754 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.734 -10.043 -4.194 1.00 0.00 H new ATOM 810 N PHE A 52 -7.862 -10.395 0.082 1.00 0.00 N ATOM 811 CA PHE A 52 -7.424 -11.341 1.144 1.00 0.00 C ATOM 812 C PHE A 52 -8.640 -11.964 1.833 1.00 0.00 C ATOM 813 O PHE A 52 -8.514 -12.885 2.614 1.00 0.00 O ATOM 814 CB PHE A 52 -6.566 -10.588 2.161 1.00 0.00 C ATOM 815 CG PHE A 52 -5.247 -10.229 1.520 1.00 0.00 C ATOM 816 CD1 PHE A 52 -4.168 -11.118 1.599 1.00 0.00 C ATOM 817 CD2 PHE A 52 -5.104 -9.014 0.842 1.00 0.00 C ATOM 818 CE1 PHE A 52 -2.946 -10.790 0.999 1.00 0.00 C ATOM 819 CE2 PHE A 52 -3.882 -8.686 0.242 1.00 0.00 C ATOM 820 CZ PHE A 52 -2.803 -9.574 0.321 1.00 0.00 C ATOM 0 H PHE A 52 -8.081 -9.450 0.398 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.837 -12.143 0.697 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -7.081 -9.687 2.494 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.400 -11.205 3.044 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.278 -12.056 2.122 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.936 -8.329 0.781 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.114 -11.476 1.059 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.772 -7.748 -0.282 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.860 -9.321 -0.141 1.00 0.00 H new ATOM 830 N GLY A 53 -9.816 -11.478 1.548 1.00 0.00 N ATOM 831 CA GLY A 53 -11.028 -12.055 2.188 1.00 0.00 C ATOM 832 C GLY A 53 -11.067 -11.625 3.648 1.00 0.00 C ATOM 833 O GLY A 53 -11.560 -12.334 4.503 1.00 0.00 O ATOM 0 H GLY A 53 -9.989 -10.708 0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.925 -11.715 1.671 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.011 -13.142 2.116 1.00 0.00 H new ATOM 837 N ILE A 54 -10.540 -10.467 3.941 1.00 0.00 N ATOM 838 CA ILE A 54 -10.532 -9.987 5.347 1.00 0.00 C ATOM 839 C ILE A 54 -11.505 -8.816 5.500 1.00 0.00 C ATOM 840 O ILE A 54 -11.789 -8.108 4.556 1.00 0.00 O ATOM 841 CB ILE A 54 -9.116 -9.537 5.708 1.00 0.00 C ATOM 842 CG1 ILE A 54 -8.716 -8.364 4.810 1.00 0.00 C ATOM 843 CG2 ILE A 54 -8.145 -10.700 5.498 1.00 0.00 C ATOM 844 CD1 ILE A 54 -7.281 -7.946 5.123 1.00 0.00 C ATOM 0 H ILE A 54 -10.115 -9.834 3.264 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.843 -10.791 6.014 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.084 -9.224 6.752 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.802 -8.650 3.762 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.393 -7.524 4.968 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -7.135 -10.381 5.755 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -8.435 -11.536 6.135 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.172 -11.013 4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.998 -7.111 4.483 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.210 -7.643 6.168 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.610 -8.786 4.942 1.00 0.00 H new ATOM 856 N ALA A 55 -12.024 -8.612 6.680 1.00 0.00 N ATOM 857 CA ALA A 55 -12.982 -7.489 6.887 1.00 0.00 C ATOM 858 C ALA A 55 -12.262 -6.320 7.564 1.00 0.00 C ATOM 859 O ALA A 55 -11.507 -6.501 8.499 1.00 0.00 O ATOM 860 CB ALA A 55 -14.135 -7.960 7.775 1.00 0.00 C ATOM 0 H ALA A 55 -11.827 -9.173 7.508 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.374 -7.164 5.923 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -14.836 -7.139 7.927 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.649 -8.792 7.293 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -13.743 -8.285 8.739 1.00 0.00 H new ATOM 866 N ALA A 56 -12.492 -5.123 7.100 1.00 0.00 N ATOM 867 CA ALA A 56 -11.825 -3.942 7.716 1.00 0.00 C ATOM 868 C ALA A 56 -12.336 -3.750 9.145 1.00 0.00 C ATOM 869 O ALA A 56 -11.644 -3.233 9.998 1.00 0.00 O ATOM 870 CB ALA A 56 -12.138 -2.692 6.891 1.00 0.00 C ATOM 0 H ALA A 56 -13.114 -4.912 6.320 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.748 -4.106 7.736 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.650 -1.827 7.341 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.771 -2.826 5.873 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.216 -2.530 6.870 1.00 0.00 H new ATOM 876 N ASP A 57 -13.545 -4.158 9.413 1.00 0.00 N ATOM 877 CA ASP A 57 -14.102 -3.994 10.783 1.00 0.00 C ATOM 878 C ASP A 57 -13.182 -4.666 11.804 1.00 0.00 C ATOM 879 O ASP A 57 -13.020 -4.194 12.913 1.00 0.00 O ATOM 880 CB ASP A 57 -15.485 -4.637 10.841 1.00 0.00 C ATOM 881 CG ASP A 57 -16.460 -3.835 9.977 1.00 0.00 C ATOM 882 OD1 ASP A 57 -16.100 -2.742 9.572 1.00 0.00 O ATOM 883 OD2 ASP A 57 -17.550 -4.327 9.736 1.00 0.00 O ATOM 0 H ASP A 57 -14.172 -4.599 8.740 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.178 -2.932 11.018 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.433 -5.667 10.488 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.839 -4.670 11.871 1.00 0.00 H new ATOM 888 N ASP A 58 -12.585 -5.767 11.446 1.00 0.00 N ATOM 889 CA ASP A 58 -11.684 -6.472 12.402 1.00 0.00 C ATOM 890 C ASP A 58 -10.601 -5.517 12.907 1.00 0.00 C ATOM 891 O ASP A 58 -10.233 -5.540 14.065 1.00 0.00 O ATOM 892 CB ASP A 58 -11.026 -7.659 11.698 1.00 0.00 C ATOM 893 CG ASP A 58 -10.293 -8.520 12.727 1.00 0.00 C ATOM 894 OD1 ASP A 58 -10.409 -8.229 13.906 1.00 0.00 O ATOM 895 OD2 ASP A 58 -9.626 -9.457 12.318 1.00 0.00 O ATOM 0 H ASP A 58 -12.681 -6.211 10.533 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.271 -6.825 13.250 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.780 -8.253 11.182 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.327 -7.304 10.941 1.00 0.00 H new ATOM 900 N VAL A 59 -10.087 -4.677 12.051 1.00 0.00 N ATOM 901 CA VAL A 59 -9.025 -3.723 12.488 1.00 0.00 C ATOM 902 C VAL A 59 -9.319 -2.330 11.926 1.00 0.00 C ATOM 903 O VAL A 59 -9.778 -2.184 10.812 1.00 0.00 O ATOM 904 CB VAL A 59 -7.667 -4.202 11.972 1.00 0.00 C ATOM 905 CG1 VAL A 59 -7.653 -4.151 10.443 1.00 0.00 C ATOM 906 CG2 VAL A 59 -6.565 -3.294 12.521 1.00 0.00 C ATOM 0 H VAL A 59 -10.355 -4.609 11.069 1.00 0.00 H new ATOM 0 HA VAL A 59 -9.008 -3.677 13.577 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.495 -5.226 12.302 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.685 -4.492 10.076 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.438 -4.797 10.050 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.826 -3.127 10.112 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -5.597 -3.634 12.154 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.739 -2.270 12.190 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.573 -3.330 13.610 1.00 0.00 H new ATOM 916 N GLU A 60 -9.051 -1.302 12.685 1.00 0.00 N ATOM 917 CA GLU A 60 -9.311 0.077 12.185 1.00 0.00 C ATOM 918 C GLU A 60 -8.036 0.634 11.550 1.00 0.00 C ATOM 919 O GLU A 60 -6.961 0.542 12.110 1.00 0.00 O ATOM 920 CB GLU A 60 -9.734 0.971 13.352 1.00 0.00 C ATOM 921 CG GLU A 60 -10.140 2.342 12.824 1.00 0.00 C ATOM 922 CD GLU A 60 -10.463 3.269 13.997 1.00 0.00 C ATOM 923 OE1 GLU A 60 -10.338 2.826 15.127 1.00 0.00 O ATOM 924 OE2 GLU A 60 -10.830 4.405 13.745 1.00 0.00 O ATOM 0 H GLU A 60 -8.664 -1.358 13.627 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.107 0.052 11.441 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.566 0.516 13.889 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.913 1.072 14.062 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.334 2.765 12.224 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.008 2.249 12.171 1.00 0.00 H new ATOM 931 N LEU A 61 -8.145 1.203 10.381 1.00 0.00 N ATOM 932 CA LEU A 61 -6.944 1.757 9.708 1.00 0.00 C ATOM 933 C LEU A 61 -6.876 3.269 9.928 1.00 0.00 C ATOM 934 O LEU A 61 -7.877 3.958 9.884 1.00 0.00 O ATOM 935 CB LEU A 61 -7.040 1.467 8.211 1.00 0.00 C ATOM 936 CG LEU A 61 -7.234 -0.031 7.991 1.00 0.00 C ATOM 937 CD1 LEU A 61 -7.234 -0.332 6.492 1.00 0.00 C ATOM 938 CD2 LEU A 61 -6.093 -0.798 8.662 1.00 0.00 C ATOM 0 H LEU A 61 -9.018 1.307 9.864 1.00 0.00 H new ATOM 0 HA LEU A 61 -6.047 1.296 10.122 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.873 2.020 7.776 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.135 1.805 7.706 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.185 -0.340 8.424 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.373 -1.402 6.336 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.046 0.213 6.011 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.283 -0.022 6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.232 -1.868 8.505 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.142 -0.488 8.229 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.091 -0.586 9.731 1.00 0.00 H new ATOM 950 N SER A 62 -5.700 3.790 10.154 1.00 0.00 N ATOM 951 CA SER A 62 -5.556 5.255 10.366 1.00 0.00 C ATOM 952 C SER A 62 -4.848 5.857 9.152 1.00 0.00 C ATOM 953 O SER A 62 -4.134 5.175 8.444 1.00 0.00 O ATOM 954 CB SER A 62 -4.725 5.511 11.623 1.00 0.00 C ATOM 955 OG SER A 62 -3.722 6.476 11.335 1.00 0.00 O ATOM 0 H SER A 62 -4.830 3.259 10.201 1.00 0.00 H new ATOM 0 HA SER A 62 -6.538 5.712 10.489 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.366 5.866 12.430 1.00 0.00 H new ATOM 0 HB3 SER A 62 -4.266 4.583 11.964 1.00 0.00 H new ATOM 0 HG SER A 62 -3.188 6.643 12.140 1.00 0.00 H new ATOM 961 N PRO A 63 -5.039 7.124 8.914 1.00 0.00 N ATOM 962 CA PRO A 63 -4.408 7.823 7.762 1.00 0.00 C ATOM 963 C PRO A 63 -2.889 7.623 7.740 1.00 0.00 C ATOM 964 O PRO A 63 -2.256 7.699 6.706 1.00 0.00 O ATOM 965 CB PRO A 63 -4.751 9.305 7.977 1.00 0.00 C ATOM 966 CG PRO A 63 -5.333 9.410 9.353 1.00 0.00 C ATOM 967 CD PRO A 63 -5.870 8.029 9.712 1.00 0.00 C ATOM 0 HA PRO A 63 -4.772 7.437 6.810 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.861 9.927 7.884 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.462 9.652 7.227 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -4.576 9.728 10.070 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -6.130 10.153 9.380 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.775 7.826 10.779 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -6.926 7.931 9.461 1.00 0.00 H new ATOM 975 N GLU A 64 -2.304 7.362 8.877 1.00 0.00 N ATOM 976 CA GLU A 64 -0.834 7.150 8.936 1.00 0.00 C ATOM 977 C GLU A 64 -0.487 5.810 8.298 1.00 0.00 C ATOM 978 O GLU A 64 0.597 5.615 7.793 1.00 0.00 O ATOM 979 CB GLU A 64 -0.385 7.154 10.394 1.00 0.00 C ATOM 980 CG GLU A 64 -0.700 8.506 11.022 1.00 0.00 C ATOM 981 CD GLU A 64 -0.170 8.543 12.455 1.00 0.00 C ATOM 982 OE1 GLU A 64 0.247 7.503 12.940 1.00 0.00 O ATOM 983 OE2 GLU A 64 -0.187 9.611 13.046 1.00 0.00 O ATOM 0 H GLU A 64 -2.787 7.286 9.772 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.326 7.948 8.395 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.891 6.360 10.943 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.685 6.953 10.456 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.247 9.305 10.435 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.776 8.678 11.017 1.00 0.00 H new ATOM 990 N HIS A 65 -1.400 4.882 8.320 1.00 0.00 N ATOM 991 CA HIS A 65 -1.117 3.555 7.719 1.00 0.00 C ATOM 992 C HIS A 65 -0.940 3.717 6.213 1.00 0.00 C ATOM 993 O HIS A 65 -0.342 2.891 5.552 1.00 0.00 O ATOM 994 CB HIS A 65 -2.282 2.608 7.993 1.00 0.00 C ATOM 995 CG HIS A 65 -2.149 1.387 7.128 1.00 0.00 C ATOM 996 ND1 HIS A 65 -3.249 0.772 6.542 1.00 0.00 N ATOM 997 CD2 HIS A 65 -1.056 0.656 6.734 1.00 0.00 C ATOM 998 CE1 HIS A 65 -2.794 -0.278 5.834 1.00 0.00 C ATOM 999 NE2 HIS A 65 -1.468 -0.390 5.918 1.00 0.00 N ATOM 0 H HIS A 65 -2.329 4.986 8.728 1.00 0.00 H new ATOM 0 HA HIS A 65 -0.208 3.143 8.156 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -2.293 2.322 9.045 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.228 3.110 7.789 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -4.222 1.063 6.632 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -0.034 0.862 7.015 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -3.425 -0.947 5.268 1.00 0.00 H new ATOM 1008 N PHE A 66 -1.454 4.779 5.667 1.00 0.00 N ATOM 1009 CA PHE A 66 -1.319 5.004 4.206 1.00 0.00 C ATOM 1010 C PHE A 66 -0.069 5.842 3.953 1.00 0.00 C ATOM 1011 O PHE A 66 0.130 6.386 2.884 1.00 0.00 O ATOM 1012 CB PHE A 66 -2.553 5.738 3.686 1.00 0.00 C ATOM 1013 CG PHE A 66 -3.797 5.008 4.140 1.00 0.00 C ATOM 1014 CD1 PHE A 66 -4.212 5.098 5.474 1.00 0.00 C ATOM 1015 CD2 PHE A 66 -4.534 4.242 3.229 1.00 0.00 C ATOM 1016 CE1 PHE A 66 -5.363 4.424 5.897 1.00 0.00 C ATOM 1017 CE2 PHE A 66 -5.685 3.567 3.653 1.00 0.00 C ATOM 1018 CZ PHE A 66 -6.098 3.659 4.988 1.00 0.00 C ATOM 0 H PHE A 66 -1.964 5.504 6.172 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.232 4.050 3.687 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.563 6.763 4.056 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.526 5.792 2.598 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.643 5.688 6.177 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.215 4.172 2.200 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.683 4.495 6.926 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.254 2.976 2.951 1.00 0.00 H new ATOM 0 HZ PHE A 66 -6.986 3.138 5.315 1.00 0.00 H new ATOM 1028 N ARG A 67 0.773 5.946 4.939 1.00 0.00 N ATOM 1029 CA ARG A 67 2.019 6.739 4.795 1.00 0.00 C ATOM 1030 C ARG A 67 2.725 6.365 3.490 1.00 0.00 C ATOM 1031 O ARG A 67 3.265 7.211 2.805 1.00 0.00 O ATOM 1032 CB ARG A 67 2.924 6.417 5.981 1.00 0.00 C ATOM 1033 CG ARG A 67 3.249 4.923 5.973 1.00 0.00 C ATOM 1034 CD ARG A 67 3.282 4.386 7.404 1.00 0.00 C ATOM 1035 NE ARG A 67 4.193 3.210 7.472 1.00 0.00 N ATOM 1036 CZ ARG A 67 4.109 2.377 8.473 1.00 0.00 C ATOM 1037 NH1 ARG A 67 3.235 2.581 9.420 1.00 0.00 N ATOM 1038 NH2 ARG A 67 4.901 1.342 8.527 1.00 0.00 N ATOM 0 H ARG A 67 0.648 5.508 5.852 1.00 0.00 H new ATOM 0 HA ARG A 67 1.788 7.804 4.772 1.00 0.00 H new ATOM 0 HB2 ARG A 67 3.842 7.002 5.923 1.00 0.00 H new ATOM 0 HB3 ARG A 67 2.431 6.689 6.914 1.00 0.00 H new ATOM 0 HG2 ARG A 67 2.502 4.383 5.391 1.00 0.00 H new ATOM 0 HG3 ARG A 67 4.212 4.755 5.491 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.623 5.163 8.088 1.00 0.00 H new ATOM 0 HD3 ARG A 67 2.279 4.101 7.720 1.00 0.00 H new ATOM 0 HE ARG A 67 4.882 3.056 6.736 1.00 0.00 H new ATOM 0 HH11 ARG A 67 2.617 3.392 9.378 1.00 0.00 H new ATOM 0 HH12 ARG A 67 3.169 1.930 10.202 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.585 1.184 7.787 1.00 0.00 H new ATOM 0 HH22 ARG A 67 4.836 0.690 9.309 1.00 0.00 H new ATOM 1052 N SER A 68 2.728 5.110 3.134 1.00 0.00 N ATOM 1053 CA SER A 68 3.401 4.703 1.872 1.00 0.00 C ATOM 1054 C SER A 68 2.874 3.345 1.413 1.00 0.00 C ATOM 1055 O SER A 68 2.385 2.555 2.197 1.00 0.00 O ATOM 1056 CB SER A 68 4.911 4.609 2.100 1.00 0.00 C ATOM 1057 OG SER A 68 5.187 3.524 2.976 1.00 0.00 O ATOM 0 H SER A 68 2.295 4.352 3.661 1.00 0.00 H new ATOM 0 HA SER A 68 3.193 5.448 1.104 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.426 4.464 1.150 1.00 0.00 H new ATOM 0 HB3 SER A 68 5.285 5.540 2.526 1.00 0.00 H new ATOM 0 HG SER A 68 4.432 3.397 3.588 1.00 0.00 H new ATOM 1063 N ILE A 69 2.986 3.065 0.147 1.00 0.00 N ATOM 1064 CA ILE A 69 2.518 1.764 -0.382 1.00 0.00 C ATOM 1065 C ILE A 69 3.269 0.647 0.339 1.00 0.00 C ATOM 1066 O ILE A 69 2.740 -0.418 0.588 1.00 0.00 O ATOM 1067 CB ILE A 69 2.822 1.704 -1.876 1.00 0.00 C ATOM 1068 CG1 ILE A 69 2.294 2.974 -2.545 1.00 0.00 C ATOM 1069 CG2 ILE A 69 2.130 0.489 -2.482 1.00 0.00 C ATOM 1070 CD1 ILE A 69 3.455 3.931 -2.822 1.00 0.00 C ATOM 0 H ILE A 69 3.387 3.692 -0.550 1.00 0.00 H new ATOM 0 HA ILE A 69 1.446 1.649 -0.223 1.00 0.00 H new ATOM 0 HB ILE A 69 3.898 1.626 -2.031 1.00 0.00 H new ATOM 0 HG12 ILE A 69 1.787 2.722 -3.477 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.558 3.456 -1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.345 0.443 -3.550 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.496 -0.417 -1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.054 0.571 -2.332 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.076 4.835 -3.299 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.942 4.193 -1.883 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.175 3.448 -3.482 1.00 0.00 H new ATOM 1082 N ARG A 70 4.507 0.889 0.663 1.00 0.00 N ATOM 1083 CA ARG A 70 5.321 -0.145 1.361 1.00 0.00 C ATOM 1084 C ARG A 70 4.623 -0.560 2.658 1.00 0.00 C ATOM 1085 O ARG A 70 4.543 -1.727 2.988 1.00 0.00 O ATOM 1086 CB ARG A 70 6.679 0.465 1.714 1.00 0.00 C ATOM 1087 CG ARG A 70 7.367 0.970 0.448 1.00 0.00 C ATOM 1088 CD ARG A 70 8.344 2.086 0.823 1.00 0.00 C ATOM 1089 NE ARG A 70 9.401 1.543 1.721 1.00 0.00 N ATOM 1090 CZ ARG A 70 10.401 2.299 2.083 1.00 0.00 C ATOM 1091 NH1 ARG A 70 10.477 3.529 1.658 1.00 0.00 N ATOM 1092 NH2 ARG A 70 11.325 1.824 2.873 1.00 0.00 N ATOM 0 H ARG A 70 4.994 1.765 0.473 1.00 0.00 H new ATOM 0 HA ARG A 70 5.443 -1.015 0.716 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.546 1.286 2.418 1.00 0.00 H new ATOM 0 HB3 ARG A 70 7.305 -0.279 2.206 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.898 0.154 -0.043 1.00 0.00 H new ATOM 0 HG3 ARG A 70 6.626 1.340 -0.261 1.00 0.00 H new ATOM 0 HD2 ARG A 70 8.796 2.505 -0.076 1.00 0.00 H new ATOM 0 HD3 ARG A 70 7.812 2.897 1.320 1.00 0.00 H new ATOM 0 HE ARG A 70 9.343 0.580 2.053 1.00 0.00 H new ATOM 0 HH11 ARG A 70 9.754 3.901 1.042 1.00 0.00 H new ATOM 0 HH12 ARG A 70 11.259 4.119 1.942 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.265 0.862 3.207 1.00 0.00 H new ATOM 0 HH22 ARG A 70 12.107 2.415 3.156 1.00 0.00 H new ATOM 1106 N SER A 71 4.122 0.389 3.396 1.00 0.00 N ATOM 1107 CA SER A 71 3.435 0.058 4.674 1.00 0.00 C ATOM 1108 C SER A 71 2.113 -0.655 4.388 1.00 0.00 C ATOM 1109 O SER A 71 1.686 -1.512 5.136 1.00 0.00 O ATOM 1110 CB SER A 71 3.161 1.351 5.439 1.00 0.00 C ATOM 1111 OG SER A 71 2.164 2.099 4.755 1.00 0.00 O ATOM 0 H SER A 71 4.159 1.383 3.169 1.00 0.00 H new ATOM 0 HA SER A 71 4.070 -0.599 5.268 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.830 1.124 6.453 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.076 1.937 5.526 1.00 0.00 H new ATOM 0 HG SER A 71 2.428 2.216 3.819 1.00 0.00 H new ATOM 1117 N ILE A 72 1.458 -0.308 3.315 1.00 0.00 N ATOM 1118 CA ILE A 72 0.165 -0.961 2.991 1.00 0.00 C ATOM 1119 C ILE A 72 0.379 -2.457 2.764 1.00 0.00 C ATOM 1120 O ILE A 72 -0.298 -3.285 3.341 1.00 0.00 O ATOM 1121 CB ILE A 72 -0.407 -0.324 1.728 1.00 0.00 C ATOM 1122 CG1 ILE A 72 -0.638 1.169 1.970 1.00 0.00 C ATOM 1123 CG2 ILE A 72 -1.730 -0.994 1.380 1.00 0.00 C ATOM 1124 CD1 ILE A 72 -1.102 1.832 0.674 1.00 0.00 C ATOM 0 H ILE A 72 1.765 0.401 2.649 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.531 -0.828 3.820 1.00 0.00 H new ATOM 0 HB ILE A 72 0.294 -0.453 0.904 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.386 1.310 2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.281 1.637 2.321 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.141 -0.541 0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.565 -2.058 1.209 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -2.432 -0.863 2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.266 2.895 0.848 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.339 1.703 -0.094 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -2.032 1.371 0.342 1.00 0.00 H new ATOM 1136 N ASP A 73 1.316 -2.813 1.930 1.00 0.00 N ATOM 1137 CA ASP A 73 1.570 -4.257 1.673 1.00 0.00 C ATOM 1138 C ASP A 73 1.979 -4.936 2.978 1.00 0.00 C ATOM 1139 O ASP A 73 1.557 -6.034 3.282 1.00 0.00 O ATOM 1140 CB ASP A 73 2.705 -4.398 0.660 1.00 0.00 C ATOM 1141 CG ASP A 73 2.731 -5.827 0.115 1.00 0.00 C ATOM 1142 OD1 ASP A 73 1.823 -6.578 0.432 1.00 0.00 O ATOM 1143 OD2 ASP A 73 3.659 -6.146 -0.610 1.00 0.00 O ATOM 0 H ASP A 73 1.916 -2.167 1.416 1.00 0.00 H new ATOM 0 HA ASP A 73 0.666 -4.723 1.281 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.568 -3.689 -0.156 1.00 0.00 H new ATOM 0 HB3 ASP A 73 3.659 -4.160 1.132 1.00 0.00 H new ATOM 1148 N ALA A 74 2.808 -4.288 3.745 1.00 0.00 N ATOM 1149 CA ALA A 74 3.265 -4.883 5.028 1.00 0.00 C ATOM 1150 C ALA A 74 2.099 -4.992 6.010 1.00 0.00 C ATOM 1151 O ALA A 74 1.986 -5.950 6.745 1.00 0.00 O ATOM 1152 CB ALA A 74 4.354 -3.993 5.626 1.00 0.00 C ATOM 0 H ALA A 74 3.191 -3.366 3.536 1.00 0.00 H new ATOM 0 HA ALA A 74 3.657 -5.883 4.841 1.00 0.00 H new ATOM 0 HB1 ALA A 74 4.697 -4.421 6.568 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.192 -3.927 4.932 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.951 -2.996 5.805 1.00 0.00 H new ATOM 1158 N PHE A 75 1.236 -4.017 6.038 1.00 0.00 N ATOM 1159 CA PHE A 75 0.091 -4.077 6.985 1.00 0.00 C ATOM 1160 C PHE A 75 -0.791 -5.284 6.657 1.00 0.00 C ATOM 1161 O PHE A 75 -1.178 -6.036 7.531 1.00 0.00 O ATOM 1162 CB PHE A 75 -0.736 -2.798 6.877 1.00 0.00 C ATOM 1163 CG PHE A 75 -1.811 -2.808 7.937 1.00 0.00 C ATOM 1164 CD1 PHE A 75 -1.552 -2.267 9.202 1.00 0.00 C ATOM 1165 CD2 PHE A 75 -3.064 -3.365 7.656 1.00 0.00 C ATOM 1166 CE1 PHE A 75 -2.547 -2.281 10.186 1.00 0.00 C ATOM 1167 CE2 PHE A 75 -4.059 -3.380 8.641 1.00 0.00 C ATOM 1168 CZ PHE A 75 -3.801 -2.838 9.905 1.00 0.00 C ATOM 0 H PHE A 75 1.274 -3.185 5.449 1.00 0.00 H new ATOM 0 HA PHE A 75 0.474 -4.175 8.001 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.095 -1.925 7.001 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -1.186 -2.725 5.887 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -0.584 -1.839 9.418 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.263 -3.783 6.680 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.348 -1.863 11.162 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -5.026 -3.810 8.425 1.00 0.00 H new ATOM 0 HZ PHE A 75 -4.569 -2.849 10.664 1.00 0.00 H new ATOM 1178 N VAL A 76 -1.116 -5.476 5.409 1.00 0.00 N ATOM 1179 CA VAL A 76 -1.973 -6.628 5.032 1.00 0.00 C ATOM 1180 C VAL A 76 -1.224 -7.938 5.289 1.00 0.00 C ATOM 1181 O VAL A 76 -1.747 -8.854 5.892 1.00 0.00 O ATOM 1182 CB VAL A 76 -2.317 -6.520 3.550 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -3.043 -7.784 3.108 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -3.221 -5.307 3.323 1.00 0.00 C ATOM 0 H VAL A 76 -0.823 -4.882 4.634 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.885 -6.618 5.628 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.401 -6.403 2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.290 -7.710 2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.400 -8.649 3.271 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.959 -7.899 3.687 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.467 -5.230 2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.138 -5.423 3.901 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.703 -4.403 3.642 1.00 0.00 H new ATOM 1194 N VAL A 77 -0.001 -8.039 4.837 1.00 0.00 N ATOM 1195 CA VAL A 77 0.773 -9.286 5.060 1.00 0.00 C ATOM 1196 C VAL A 77 1.131 -9.412 6.543 1.00 0.00 C ATOM 1197 O VAL A 77 0.972 -10.452 7.148 1.00 0.00 O ATOM 1198 CB VAL A 77 2.052 -9.229 4.227 1.00 0.00 C ATOM 1199 CG1 VAL A 77 2.964 -10.384 4.621 1.00 0.00 C ATOM 1200 CG2 VAL A 77 1.696 -9.345 2.743 1.00 0.00 C ATOM 0 H VAL A 77 0.492 -7.308 4.323 1.00 0.00 H new ATOM 0 HA VAL A 77 0.176 -10.149 4.764 1.00 0.00 H new ATOM 0 HB VAL A 77 2.564 -8.283 4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.877 -10.345 4.028 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.215 -10.305 5.679 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.453 -11.329 4.439 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.607 -9.305 2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.187 -10.292 2.564 1.00 0.00 H new ATOM 0 HG23 VAL A 77 1.040 -8.521 2.461 1.00 0.00 H new ATOM 1210 N GLY A 78 1.618 -8.352 7.125 1.00 0.00 N ATOM 1211 CA GLY A 78 2.001 -8.388 8.564 1.00 0.00 C ATOM 1212 C GLY A 78 0.776 -8.688 9.433 1.00 0.00 C ATOM 1213 O GLY A 78 0.882 -9.275 10.491 1.00 0.00 O ATOM 0 H GLY A 78 1.768 -7.456 6.662 1.00 0.00 H new ATOM 0 HA2 GLY A 78 2.765 -9.149 8.725 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.437 -7.432 8.855 1.00 0.00 H new ATOM 1217 N ALA A 79 -0.383 -8.272 9.006 1.00 0.00 N ATOM 1218 CA ALA A 79 -1.610 -8.515 9.819 1.00 0.00 C ATOM 1219 C ALA A 79 -1.931 -10.009 9.862 1.00 0.00 C ATOM 1220 O ALA A 79 -2.306 -10.543 10.888 1.00 0.00 O ATOM 1221 CB ALA A 79 -2.788 -7.762 9.198 1.00 0.00 C ATOM 0 H ALA A 79 -0.535 -7.774 8.129 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.437 -8.160 10.835 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.686 -7.938 9.791 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -2.569 -6.694 9.180 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.950 -8.116 8.180 1.00 0.00 H new ATOM 1227 N THR A 80 -1.791 -10.690 8.761 1.00 0.00 N ATOM 1228 CA THR A 80 -2.093 -12.148 8.747 1.00 0.00 C ATOM 1229 C THR A 80 -0.918 -12.915 9.350 1.00 0.00 C ATOM 1230 O THR A 80 -1.088 -13.951 9.961 1.00 0.00 O ATOM 1231 CB THR A 80 -2.319 -12.608 7.306 1.00 0.00 C ATOM 1232 OG1 THR A 80 -1.109 -12.473 6.572 1.00 0.00 O ATOM 1233 CG2 THR A 80 -3.409 -11.749 6.659 1.00 0.00 C ATOM 0 H THR A 80 -1.481 -10.301 7.870 1.00 0.00 H new ATOM 0 HA THR A 80 -2.992 -12.340 9.333 1.00 0.00 H new ATOM 0 HB THR A 80 -2.632 -13.652 7.302 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.595 -11.717 6.925 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.569 -12.077 5.632 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.336 -11.853 7.222 1.00 0.00 H new ATOM 0 HG23 THR A 80 -3.098 -10.704 6.661 1.00 0.00 H new ATOM 1241 N THR A 81 0.274 -12.412 9.178 1.00 0.00 N ATOM 1242 CA THR A 81 1.465 -13.106 9.732 1.00 0.00 C ATOM 1243 C THR A 81 2.360 -12.089 10.452 1.00 0.00 C ATOM 1244 O THR A 81 2.420 -10.940 10.069 1.00 0.00 O ATOM 1245 CB THR A 81 2.241 -13.749 8.578 1.00 0.00 C ATOM 1246 OG1 THR A 81 3.483 -14.249 9.051 1.00 0.00 O ATOM 1247 CG2 THR A 81 2.495 -12.709 7.486 1.00 0.00 C ATOM 0 H THR A 81 0.472 -11.547 8.675 1.00 0.00 H new ATOM 0 HA THR A 81 1.154 -13.873 10.441 1.00 0.00 H new ATOM 0 HB THR A 81 1.654 -14.571 8.169 1.00 0.00 H new ATOM 0 HG1 THR A 81 3.974 -14.660 8.309 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.047 -13.169 6.667 1.00 0.00 H new ATOM 0 HG22 THR A 81 1.542 -12.331 7.115 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.077 -11.884 7.897 1.00 0.00 H new ATOM 1255 N PRO A 82 3.067 -12.501 11.475 1.00 0.00 N ATOM 1256 CA PRO A 82 3.979 -11.587 12.223 1.00 0.00 C ATOM 1257 C PRO A 82 5.083 -11.032 11.304 1.00 0.00 C ATOM 1258 O PRO A 82 5.875 -11.785 10.772 1.00 0.00 O ATOM 1259 CB PRO A 82 4.593 -12.471 13.316 1.00 0.00 C ATOM 1260 CG PRO A 82 4.331 -13.883 12.901 1.00 0.00 C ATOM 1261 CD PRO A 82 3.075 -13.860 12.037 1.00 0.00 C ATOM 0 HA PRO A 82 3.451 -10.722 12.625 1.00 0.00 H new ATOM 0 HB2 PRO A 82 5.663 -12.285 13.413 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.144 -12.260 14.286 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.177 -14.286 12.344 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.190 -14.523 13.772 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.113 -14.617 11.254 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.179 -14.055 12.626 1.00 0.00 H new ATOM 1269 N PRO A 83 5.138 -9.734 11.098 1.00 0.00 N ATOM 1270 CA PRO A 83 6.162 -9.118 10.211 1.00 0.00 C ATOM 1271 C PRO A 83 7.552 -9.079 10.842 1.00 0.00 C ATOM 1272 O PRO A 83 7.702 -9.028 12.046 1.00 0.00 O ATOM 1273 CB PRO A 83 5.652 -7.699 9.966 1.00 0.00 C ATOM 1274 CG PRO A 83 4.731 -7.388 11.100 1.00 0.00 C ATOM 1275 CD PRO A 83 4.244 -8.718 11.682 1.00 0.00 C ATOM 0 HA PRO A 83 6.282 -9.700 9.297 1.00 0.00 H new ATOM 0 HB2 PRO A 83 6.478 -6.989 9.929 1.00 0.00 H new ATOM 0 HB3 PRO A 83 5.131 -7.632 9.011 1.00 0.00 H new ATOM 0 HG2 PRO A 83 5.246 -6.803 11.862 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.888 -6.790 10.755 1.00 0.00 H new ATOM 0 HD2 PRO A 83 4.302 -8.718 12.770 1.00 0.00 H new ATOM 0 HD3 PRO A 83 3.204 -8.908 11.418 1.00 0.00 H new ATOM 1283 N VAL A 84 8.568 -9.094 10.028 1.00 0.00 N ATOM 1284 CA VAL A 84 9.956 -9.046 10.561 1.00 0.00 C ATOM 1285 C VAL A 84 10.500 -7.628 10.386 1.00 0.00 C ATOM 1286 O VAL A 84 10.339 -7.018 9.349 1.00 0.00 O ATOM 1287 CB VAL A 84 10.836 -10.031 9.790 1.00 0.00 C ATOM 1288 CG1 VAL A 84 12.237 -10.052 10.400 1.00 0.00 C ATOM 1289 CG2 VAL A 84 10.224 -11.432 9.874 1.00 0.00 C ATOM 0 H VAL A 84 8.497 -9.138 9.011 1.00 0.00 H new ATOM 0 HA VAL A 84 9.958 -9.317 11.617 1.00 0.00 H new ATOM 0 HB VAL A 84 10.899 -9.721 8.747 1.00 0.00 H new ATOM 0 HG11 VAL A 84 12.863 -10.754 9.850 1.00 0.00 H new ATOM 0 HG12 VAL A 84 12.674 -9.055 10.343 1.00 0.00 H new ATOM 0 HG13 VAL A 84 12.175 -10.362 11.443 1.00 0.00 H new ATOM 0 HG21 VAL A 84 10.850 -12.136 9.325 1.00 0.00 H new ATOM 0 HG22 VAL A 84 10.161 -11.740 10.918 1.00 0.00 H new ATOM 0 HG23 VAL A 84 9.225 -11.419 9.439 1.00 0.00 H new ATOM 1299 N GLU A 85 11.133 -7.093 11.392 1.00 0.00 N ATOM 1300 CA GLU A 85 11.669 -5.709 11.273 1.00 0.00 C ATOM 1301 C GLU A 85 10.603 -4.815 10.635 1.00 0.00 C ATOM 1302 O GLU A 85 10.728 -4.389 9.504 1.00 0.00 O ATOM 1303 CB GLU A 85 12.921 -5.721 10.392 1.00 0.00 C ATOM 1304 CG GLU A 85 13.553 -4.327 10.384 1.00 0.00 C ATOM 1305 CD GLU A 85 14.746 -4.312 9.426 1.00 0.00 C ATOM 1306 OE1 GLU A 85 15.003 -5.336 8.816 1.00 0.00 O ATOM 1307 OE2 GLU A 85 15.381 -3.276 9.319 1.00 0.00 O ATOM 0 H GLU A 85 11.302 -7.552 12.287 1.00 0.00 H new ATOM 0 HA GLU A 85 11.927 -5.327 12.261 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.636 -6.454 10.767 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.661 -6.020 9.377 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.817 -3.584 10.076 1.00 0.00 H new ATOM 0 HG3 GLU A 85 13.877 -4.057 11.389 1.00 0.00 H new ATOM 1314 N ALA A 86 9.550 -4.532 11.355 1.00 0.00 N ATOM 1315 CA ALA A 86 8.468 -3.673 10.796 1.00 0.00 C ATOM 1316 C ALA A 86 9.078 -2.447 10.114 1.00 0.00 C ATOM 1317 O ALA A 86 10.162 -2.010 10.446 1.00 0.00 O ATOM 1318 CB ALA A 86 7.544 -3.219 11.928 1.00 0.00 C ATOM 0 H ALA A 86 9.393 -4.860 12.308 1.00 0.00 H new ATOM 0 HA ALA A 86 7.898 -4.244 10.063 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.752 -2.590 11.521 1.00 0.00 H new ATOM 0 HB2 ALA A 86 7.103 -4.092 12.410 1.00 0.00 H new ATOM 0 HB3 ALA A 86 8.118 -2.651 12.660 1.00 0.00 H new ATOM 1324 N LYS A 87 8.385 -1.892 9.156 1.00 0.00 N ATOM 1325 CA LYS A 87 8.913 -0.695 8.440 1.00 0.00 C ATOM 1326 C LYS A 87 9.250 0.401 9.454 1.00 0.00 C ATOM 1327 O LYS A 87 10.204 1.137 9.290 1.00 0.00 O ATOM 1328 CB LYS A 87 7.848 -0.182 7.468 1.00 0.00 C ATOM 1329 CG LYS A 87 8.416 0.970 6.635 1.00 0.00 C ATOM 1330 CD LYS A 87 7.319 1.521 5.719 1.00 0.00 C ATOM 1331 CE LYS A 87 7.917 2.560 4.768 1.00 0.00 C ATOM 1332 NZ LYS A 87 9.036 3.271 5.448 1.00 0.00 N ATOM 0 H LYS A 87 7.472 -2.218 8.837 1.00 0.00 H new ATOM 0 HA LYS A 87 9.814 -0.965 7.889 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.521 -0.990 6.813 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.971 0.155 8.020 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.789 1.758 7.289 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.261 0.622 6.041 1.00 0.00 H new ATOM 0 HD2 LYS A 87 6.866 0.710 5.149 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.526 1.973 6.315 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.278 2.074 3.862 1.00 0.00 H new ATOM 0 HE3 LYS A 87 7.151 3.273 4.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 9.274 4.132 4.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 8.748 3.529 6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.868 2.649 5.490 1.00 0.00 H new ATOM 1346 N LEU A 88 8.479 0.517 10.499 1.00 0.00 N ATOM 1347 CA LEU A 88 8.761 1.567 11.519 1.00 0.00 C ATOM 1348 C LEU A 88 9.693 0.997 12.591 1.00 0.00 C ATOM 1349 O LEU A 88 9.582 -0.149 12.979 1.00 0.00 O ATOM 1350 CB LEU A 88 7.450 2.013 12.169 1.00 0.00 C ATOM 1351 CG LEU A 88 6.468 2.465 11.086 1.00 0.00 C ATOM 1352 CD1 LEU A 88 5.198 3.009 11.742 1.00 0.00 C ATOM 1353 CD2 LEU A 88 7.114 3.565 10.239 1.00 0.00 C ATOM 0 H LEU A 88 7.666 -0.069 10.691 1.00 0.00 H new ATOM 0 HA LEU A 88 9.237 2.422 11.039 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.020 1.193 12.744 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.638 2.829 12.867 1.00 0.00 H new ATOM 0 HG LEU A 88 6.214 1.617 10.450 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.499 3.331 10.970 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.737 2.227 12.346 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.452 3.857 12.378 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.415 3.888 9.467 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.368 4.412 10.876 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.019 3.179 9.770 1.00 0.00 H new ATOM 1365 N GLN A 89 10.610 1.790 13.073 1.00 0.00 N ATOM 1366 CA GLN A 89 11.549 1.294 14.120 1.00 0.00 C ATOM 1367 C GLN A 89 12.025 2.470 14.974 1.00 0.00 C ATOM 1368 O GLN A 89 11.942 3.592 14.504 1.00 0.00 O ATOM 1369 CB GLN A 89 12.752 0.627 13.451 1.00 0.00 C ATOM 1370 CG GLN A 89 13.600 1.688 12.747 1.00 0.00 C ATOM 1371 CD GLN A 89 14.648 1.005 11.868 1.00 0.00 C ATOM 1372 OE1 GLN A 89 14.359 0.026 11.207 1.00 0.00 O ATOM 1373 NE2 GLN A 89 15.862 1.482 11.829 1.00 0.00 N ATOM 1374 OXT GLN A 89 12.468 2.228 16.086 1.00 0.00 O ATOM 0 H GLN A 89 10.750 2.759 12.788 1.00 0.00 H new ATOM 0 HA GLN A 89 11.039 0.568 14.753 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.351 0.103 14.196 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.414 -0.119 12.732 1.00 0.00 H new ATOM 0 HG2 GLN A 89 12.964 2.332 12.139 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.088 2.326 13.484 1.00 0.00 H new ATOM 0 HE21 GLN A 89 16.105 2.303 12.383 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.568 1.034 11.244 1.00 0.00 H new TER 1383 GLN A 89