USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 691 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 50 MET CE :methyl -143:sc= 0 (180deg=0) USER MOD Set 1.2: A 51 ASN : amide:sc= -2.19 K(o=-2.2,f=-4.2!) USER MOD Set 2.1: A 15 GLN : amide:sc= 0 X(o=-0.43,f=-0.67) USER MOD Set 2.2: A 92 THR OG1 : rot 180:sc= -0.427 USER MOD Single : A 1 MET CE :methyl 145:sc= 0 (180deg=-0.0533) USER MOD Single : A 1 MET N :NH3+ 150:sc= 0.857 (180deg=-1.67!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -1.79! USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.33) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc=-0.00941 K(o=-0.0094,f=-1.7!) USER MOD Single : A 26 CYS SG : rot -21:sc= -2.33! USER MOD Single : A 29 SER OG : rot 164:sc= -1.67! USER MOD Single : A 32 SER OG : rot 109:sc= -0.0225 USER MOD Single : A 34 GLN : amide:sc= -2.69! C(o=-2.7!,f=-8.5!) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 48 ASN : amide:sc= -2.07! C(o=-2.1!,f=-9.9!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 59 THR OG1 : rot 159:sc= 0.814 USER MOD Single : A 61 HIS : no HD1:sc= -0.749 X(o=-0.75,f=-0.57) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -2.63! C(o=-2.6!,f=-2.7!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0753 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc=-0.00547 X(o=-0.0055,f=-0.1) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.214! USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.245 USER MOD Single : A 88 GLN : amide:sc= -0.629 K(o=-0.63,f=-1.6!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 53.650 -6.250 17.728 1.00 0.00 N ATOM 2 CA MET A 1 53.130 -7.087 16.608 1.00 0.00 C ATOM 3 C MET A 1 54.293 -7.502 15.711 1.00 0.00 C ATOM 4 O MET A 1 54.997 -6.656 15.158 1.00 0.00 O ATOM 5 CB MET A 1 52.105 -6.278 15.794 1.00 0.00 C ATOM 6 CG MET A 1 52.496 -4.795 15.790 1.00 0.00 C ATOM 7 SD MET A 1 51.936 -4.018 17.327 1.00 0.00 S ATOM 8 CE MET A 1 50.226 -3.697 16.823 1.00 0.00 C ATOM 0 H1 MET A 1 52.918 -5.573 18.024 1.00 0.00 H new ATOM 0 H2 MET A 1 53.901 -6.862 18.531 1.00 0.00 H new ATOM 0 H3 MET A 1 54.494 -5.731 17.411 1.00 0.00 H new ATOM 0 HA MET A 1 52.644 -7.977 17.008 1.00 0.00 H new ATOM 0 HB2 MET A 1 52.061 -6.654 14.772 1.00 0.00 H new ATOM 0 HB3 MET A 1 51.110 -6.400 16.222 1.00 0.00 H new ATOM 0 HG2 MET A 1 53.577 -4.693 15.691 1.00 0.00 H new ATOM 0 HG3 MET A 1 52.049 -4.292 14.932 1.00 0.00 H new ATOM 0 HE1 MET A 1 49.565 -3.816 17.682 1.00 0.00 H new ATOM 0 HE2 MET A 1 50.144 -2.680 16.440 1.00 0.00 H new ATOM 0 HE3 MET A 1 49.938 -4.402 16.043 1.00 0.00 H new ATOM 20 N ALA A 2 54.486 -8.806 15.566 1.00 0.00 N ATOM 21 CA ALA A 2 55.561 -9.321 14.729 1.00 0.00 C ATOM 22 C ALA A 2 56.888 -8.655 15.094 1.00 0.00 C ATOM 23 O ALA A 2 57.356 -7.757 14.391 1.00 0.00 O ATOM 24 CB ALA A 2 55.239 -9.071 13.253 1.00 0.00 C ATOM 0 H ALA A 2 53.916 -9.523 16.014 1.00 0.00 H new ATOM 0 HA ALA A 2 55.652 -10.394 14.899 1.00 0.00 H new ATOM 0 HB1 ALA A 2 56.048 -9.459 12.633 1.00 0.00 H new ATOM 0 HB2 ALA A 2 54.309 -9.576 12.993 1.00 0.00 H new ATOM 0 HB3 ALA A 2 55.131 -8.000 13.080 1.00 0.00 H new ATOM 30 N PRO A 3 57.498 -9.078 16.174 1.00 0.00 N ATOM 31 CA PRO A 3 58.796 -8.515 16.641 1.00 0.00 C ATOM 32 C PRO A 3 59.945 -8.900 15.717 1.00 0.00 C ATOM 33 O PRO A 3 60.977 -8.232 15.682 1.00 0.00 O ATOM 34 CB PRO A 3 58.980 -9.075 18.074 1.00 0.00 C ATOM 35 CG PRO A 3 57.764 -9.921 18.372 1.00 0.00 C ATOM 36 CD PRO A 3 57.021 -10.152 17.052 1.00 0.00 C ATOM 0 HA PRO A 3 58.794 -7.425 16.635 1.00 0.00 H new ATOM 0 HB2 PRO A 3 59.891 -9.670 18.143 1.00 0.00 H new ATOM 0 HB3 PRO A 3 59.073 -8.264 18.797 1.00 0.00 H new ATOM 0 HG2 PRO A 3 58.059 -10.872 18.816 1.00 0.00 H new ATOM 0 HG3 PRO A 3 57.117 -9.420 19.092 1.00 0.00 H new ATOM 0 HD2 PRO A 3 57.245 -11.134 16.636 1.00 0.00 H new ATOM 0 HD3 PRO A 3 55.941 -10.103 17.190 1.00 0.00 H new ATOM 44 N GLU A 4 59.756 -9.972 14.960 1.00 0.00 N ATOM 45 CA GLU A 4 60.784 -10.421 14.035 1.00 0.00 C ATOM 46 C GLU A 4 61.119 -9.305 13.057 1.00 0.00 C ATOM 47 O GLU A 4 60.262 -8.487 12.728 1.00 0.00 O ATOM 48 CB GLU A 4 60.296 -11.647 13.258 1.00 0.00 C ATOM 49 CG GLU A 4 61.408 -12.152 12.332 1.00 0.00 C ATOM 50 CD GLU A 4 60.938 -13.401 11.594 1.00 0.00 C ATOM 51 OE1 GLU A 4 61.733 -13.975 10.871 1.00 0.00 O ATOM 52 OE2 GLU A 4 59.792 -13.774 11.779 1.00 0.00 O1- ATOM 0 H GLU A 4 58.909 -10.541 14.968 1.00 0.00 H new ATOM 0 HA GLU A 4 61.675 -10.688 14.604 1.00 0.00 H new ATOM 0 HB2 GLU A 4 60.002 -12.435 13.951 1.00 0.00 H new ATOM 0 HB3 GLU A 4 59.412 -11.390 12.674 1.00 0.00 H new ATOM 0 HG2 GLU A 4 61.678 -11.376 11.616 1.00 0.00 H new ATOM 0 HG3 GLU A 4 62.303 -12.376 12.912 1.00 0.00 H new ATOM 59 N VAL A 5 62.361 -9.288 12.587 1.00 0.00 N ATOM 60 CA VAL A 5 62.786 -8.271 11.631 1.00 0.00 C ATOM 61 C VAL A 5 61.904 -8.343 10.398 1.00 0.00 C ATOM 62 O VAL A 5 61.815 -9.391 9.758 1.00 0.00 O ATOM 63 CB VAL A 5 64.250 -8.503 11.223 1.00 0.00 C ATOM 64 CG1 VAL A 5 65.160 -8.232 12.421 1.00 0.00 C ATOM 65 CG2 VAL A 5 64.443 -9.953 10.745 1.00 0.00 C ATOM 0 H VAL A 5 63.084 -9.958 12.848 1.00 0.00 H new ATOM 0 HA VAL A 5 62.698 -7.288 12.095 1.00 0.00 H new ATOM 0 HB VAL A 5 64.505 -7.826 10.408 1.00 0.00 H new ATOM 0 HG11 VAL A 5 66.199 -8.396 12.134 1.00 0.00 H new ATOM 0 HG12 VAL A 5 65.033 -7.200 12.748 1.00 0.00 H new ATOM 0 HG13 VAL A 5 64.898 -8.906 13.236 1.00 0.00 H new ATOM 0 HG21 VAL A 5 65.483 -10.106 10.458 1.00 0.00 H new ATOM 0 HG22 VAL A 5 64.184 -10.639 11.551 1.00 0.00 H new ATOM 0 HG23 VAL A 5 63.799 -10.142 9.886 1.00 0.00 H new ATOM 75 N THR A 6 61.236 -7.242 10.054 1.00 0.00 N ATOM 76 CA THR A 6 60.368 -7.280 8.859 1.00 0.00 C ATOM 77 C THR A 6 61.161 -6.919 7.628 1.00 0.00 C ATOM 78 O THR A 6 61.990 -6.021 7.661 1.00 0.00 O ATOM 79 CB THR A 6 59.169 -6.348 8.975 1.00 0.00 C ATOM 80 OG1 THR A 6 59.607 -5.035 9.268 1.00 0.00 O ATOM 81 CG2 THR A 6 58.233 -6.867 10.067 1.00 0.00 C ATOM 0 H THR A 6 61.268 -6.352 10.551 1.00 0.00 H new ATOM 0 HA THR A 6 59.989 -8.299 8.779 1.00 0.00 H new ATOM 0 HB THR A 6 58.627 -6.322 8.030 1.00 0.00 H new ATOM 0 HG1 THR A 6 58.832 -4.440 9.340 1.00 0.00 H new ATOM 0 HG21 THR A 6 57.373 -6.203 10.154 1.00 0.00 H new ATOM 0 HG22 THR A 6 57.893 -7.870 9.808 1.00 0.00 H new ATOM 0 HG23 THR A 6 58.765 -6.898 11.018 1.00 0.00 H new ATOM 89 N ILE A 7 60.908 -7.646 6.544 1.00 0.00 N ATOM 90 CA ILE A 7 61.611 -7.421 5.285 1.00 0.00 C ATOM 91 C ILE A 7 60.666 -6.831 4.238 1.00 0.00 C ATOM 92 O ILE A 7 60.412 -7.447 3.204 1.00 0.00 O ATOM 93 CB ILE A 7 62.146 -8.752 4.769 1.00 0.00 C ATOM 94 CG1 ILE A 7 62.820 -9.536 5.910 1.00 0.00 C ATOM 95 CG2 ILE A 7 63.158 -8.499 3.653 1.00 0.00 C ATOM 96 CD1 ILE A 7 63.908 -8.692 6.587 1.00 0.00 C ATOM 0 H ILE A 7 60.220 -8.398 6.512 1.00 0.00 H new ATOM 0 HA ILE A 7 62.428 -6.721 5.460 1.00 0.00 H new ATOM 0 HB ILE A 7 61.314 -9.340 4.382 1.00 0.00 H new ATOM 0 HG12 ILE A 7 62.072 -9.830 6.646 1.00 0.00 H new ATOM 0 HG13 ILE A 7 63.258 -10.453 5.517 1.00 0.00 H new ATOM 0 HG21 ILE A 7 63.540 -9.451 3.285 1.00 0.00 H new ATOM 0 HG22 ILE A 7 62.673 -7.963 2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 7 63.984 -7.902 4.039 1.00 0.00 H new ATOM 0 HD11 ILE A 7 64.369 -9.268 7.389 1.00 0.00 H new ATOM 0 HD12 ILE A 7 64.667 -8.420 5.853 1.00 0.00 H new ATOM 0 HD13 ILE A 7 63.462 -7.787 7.000 1.00 0.00 H new ATOM 108 N LEU A 8 60.143 -5.642 4.512 1.00 0.00 N ATOM 109 CA LEU A 8 59.220 -4.977 3.587 1.00 0.00 C ATOM 110 C LEU A 8 59.956 -3.883 2.812 1.00 0.00 C ATOM 111 O LEU A 8 59.788 -2.691 3.071 1.00 0.00 O ATOM 112 CB LEU A 8 58.047 -4.385 4.393 1.00 0.00 C ATOM 113 CG LEU A 8 56.754 -4.317 3.552 1.00 0.00 C ATOM 114 CD1 LEU A 8 56.988 -3.512 2.266 1.00 0.00 C ATOM 115 CD2 LEU A 8 56.260 -5.737 3.196 1.00 0.00 C ATOM 0 H LEU A 8 60.339 -5.116 5.364 1.00 0.00 H new ATOM 0 HA LEU A 8 58.831 -5.696 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 8 57.872 -4.992 5.281 1.00 0.00 H new ATOM 0 HB3 LEU A 8 58.310 -3.385 4.738 1.00 0.00 H new ATOM 0 HG LEU A 8 55.991 -3.817 4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 8 56.065 -3.475 1.687 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.296 -2.498 2.522 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.769 -3.990 1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 8 55.348 -5.667 2.603 1.00 0.00 H new ATOM 0 HD22 LEU A 8 57.027 -6.256 2.621 1.00 0.00 H new ATOM 0 HD23 LEU A 8 56.056 -6.291 4.112 1.00 0.00 H new ATOM 127 N GLU A 9 60.781 -4.311 1.858 1.00 0.00 N ATOM 128 CA GLU A 9 61.563 -3.390 1.033 1.00 0.00 C ATOM 129 C GLU A 9 61.250 -3.622 -0.448 1.00 0.00 C ATOM 130 O GLU A 9 61.967 -4.355 -1.130 1.00 0.00 O ATOM 131 CB GLU A 9 63.059 -3.621 1.293 1.00 0.00 C ATOM 132 CG GLU A 9 63.331 -5.120 1.450 1.00 0.00 C ATOM 133 CD GLU A 9 64.829 -5.365 1.604 1.00 0.00 C ATOM 134 OE1 GLU A 9 65.190 -6.274 2.332 1.00 0.00 O ATOM 135 OE2 GLU A 9 65.595 -4.639 0.991 1.00 0.00 O1- ATOM 0 H GLU A 9 60.926 -5.296 1.636 1.00 0.00 H new ATOM 0 HA GLU A 9 61.304 -2.363 1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 9 63.647 -3.219 0.468 1.00 0.00 H new ATOM 0 HB3 GLU A 9 63.368 -3.089 2.193 1.00 0.00 H new ATOM 0 HG2 GLU A 9 62.800 -5.505 2.320 1.00 0.00 H new ATOM 0 HG3 GLU A 9 62.953 -5.659 0.581 1.00 0.00 H new ATOM 142 N PRO A 10 60.199 -3.023 -0.956 1.00 0.00 N ATOM 143 CA PRO A 10 59.802 -3.187 -2.382 1.00 0.00 C ATOM 144 C PRO A 10 60.769 -2.482 -3.338 1.00 0.00 C ATOM 145 O PRO A 10 60.357 -1.725 -4.218 1.00 0.00 O ATOM 146 CB PRO A 10 58.364 -2.608 -2.462 1.00 0.00 C ATOM 147 CG PRO A 10 57.997 -2.158 -1.068 1.00 0.00 C ATOM 148 CD PRO A 10 59.282 -2.129 -0.235 1.00 0.00 C ATOM 0 HA PRO A 10 59.834 -4.231 -2.694 1.00 0.00 H new ATOM 0 HB2 PRO A 10 58.322 -1.773 -3.161 1.00 0.00 H new ATOM 0 HB3 PRO A 10 57.663 -3.361 -2.822 1.00 0.00 H new ATOM 0 HG2 PRO A 10 57.536 -1.171 -1.094 1.00 0.00 H new ATOM 0 HG3 PRO A 10 57.270 -2.838 -0.625 1.00 0.00 H new ATOM 0 HD2 PRO A 10 59.686 -1.119 -0.161 1.00 0.00 H new ATOM 0 HD3 PRO A 10 59.105 -2.477 0.783 1.00 0.00 H new ATOM 156 N LEU A 11 62.060 -2.750 -3.171 1.00 0.00 N ATOM 157 CA LEU A 11 63.065 -2.143 -4.038 1.00 0.00 C ATOM 158 C LEU A 11 63.136 -2.892 -5.366 1.00 0.00 C ATOM 159 O LEU A 11 63.288 -4.115 -5.394 1.00 0.00 O ATOM 160 CB LEU A 11 64.437 -2.171 -3.361 1.00 0.00 C ATOM 161 CG LEU A 11 64.415 -1.322 -2.081 1.00 0.00 C ATOM 162 CD1 LEU A 11 65.761 -1.460 -1.363 1.00 0.00 C ATOM 163 CD2 LEU A 11 64.152 0.156 -2.423 1.00 0.00 C ATOM 0 H LEU A 11 62.432 -3.374 -2.455 1.00 0.00 H new ATOM 0 HA LEU A 11 62.780 -1.108 -4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 11 64.711 -3.198 -3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 11 65.196 -1.791 -4.045 1.00 0.00 H new ATOM 0 HG LEU A 11 63.614 -1.674 -1.431 1.00 0.00 H new ATOM 0 HD11 LEU A 11 65.751 -0.859 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 11 65.931 -2.506 -1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 11 66.560 -1.113 -2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 11 64.139 0.745 -1.506 1.00 0.00 H new ATOM 0 HD22 LEU A 11 64.941 0.524 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 11 63.189 0.247 -2.926 1.00 0.00 H new ATOM 175 N GLN A 12 63.022 -2.146 -6.465 1.00 0.00 N ATOM 176 CA GLN A 12 63.067 -2.727 -7.810 1.00 0.00 C ATOM 177 C GLN A 12 64.247 -2.155 -8.597 1.00 0.00 C ATOM 178 O GLN A 12 65.306 -1.884 -8.031 1.00 0.00 O ATOM 179 CB GLN A 12 61.748 -2.434 -8.540 1.00 0.00 C ATOM 180 CG GLN A 12 61.539 -0.918 -8.655 1.00 0.00 C ATOM 181 CD GLN A 12 60.148 -0.628 -9.212 1.00 0.00 C ATOM 182 OE1 GLN A 12 59.522 -1.508 -9.804 1.00 0.00 O ATOM 183 NE2 GLN A 12 59.627 0.561 -9.061 1.00 0.00 N ATOM 0 H GLN A 12 62.897 -1.134 -6.451 1.00 0.00 H new ATOM 0 HA GLN A 12 63.199 -3.806 -7.729 1.00 0.00 H new ATOM 0 HB2 GLN A 12 61.764 -2.884 -9.533 1.00 0.00 H new ATOM 0 HB3 GLN A 12 60.916 -2.885 -8.000 1.00 0.00 H new ATOM 0 HG2 GLN A 12 61.654 -0.451 -7.677 1.00 0.00 H new ATOM 0 HG3 GLN A 12 62.299 -0.485 -9.306 1.00 0.00 H new ATOM 0 HE21 GLN A 12 60.148 1.288 -8.570 1.00 0.00 H new ATOM 0 HE22 GLN A 12 58.699 0.762 -9.434 1.00 0.00 H new ATOM 192 N ASP A 13 64.059 -1.977 -9.905 1.00 0.00 N ATOM 193 CA ASP A 13 65.110 -1.444 -10.772 1.00 0.00 C ATOM 194 C ASP A 13 64.821 0.011 -11.126 1.00 0.00 C ATOM 195 O ASP A 13 63.710 0.356 -11.528 1.00 0.00 O ATOM 196 CB ASP A 13 65.185 -2.271 -12.056 1.00 0.00 C ATOM 197 CG ASP A 13 66.489 -1.977 -12.787 1.00 0.00 C ATOM 198 OD1 ASP A 13 66.424 -1.468 -13.893 1.00 0.00 O ATOM 199 OD2 ASP A 13 67.534 -2.263 -12.227 1.00 0.00 O1- ATOM 0 H ASP A 13 63.187 -2.195 -10.388 1.00 0.00 H new ATOM 0 HA ASP A 13 66.061 -1.498 -10.242 1.00 0.00 H new ATOM 0 HB2 ASP A 13 65.122 -3.333 -11.819 1.00 0.00 H new ATOM 0 HB3 ASP A 13 64.337 -2.037 -12.699 1.00 0.00 H new ATOM 204 N VAL A 14 65.836 0.864 -10.959 1.00 0.00 N ATOM 205 CA VAL A 14 65.705 2.298 -11.246 1.00 0.00 C ATOM 206 C VAL A 14 66.748 2.755 -12.262 1.00 0.00 C ATOM 207 O VAL A 14 67.911 2.361 -12.190 1.00 0.00 O ATOM 208 CB VAL A 14 65.879 3.100 -9.956 1.00 0.00 C ATOM 209 CG1 VAL A 14 64.656 2.894 -9.064 1.00 0.00 C ATOM 210 CG2 VAL A 14 67.136 2.624 -9.216 1.00 0.00 C ATOM 0 H VAL A 14 66.759 0.587 -10.626 1.00 0.00 H new ATOM 0 HA VAL A 14 64.713 2.469 -11.664 1.00 0.00 H new ATOM 0 HB VAL A 14 65.983 4.158 -10.199 1.00 0.00 H new ATOM 0 HG11 VAL A 14 64.777 3.465 -8.143 1.00 0.00 H new ATOM 0 HG12 VAL A 14 63.763 3.235 -9.587 1.00 0.00 H new ATOM 0 HG13 VAL A 14 64.555 1.836 -8.824 1.00 0.00 H new ATOM 0 HG21 VAL A 14 67.257 3.198 -8.297 1.00 0.00 H new ATOM 0 HG22 VAL A 14 67.036 1.566 -8.973 1.00 0.00 H new ATOM 0 HG23 VAL A 14 68.009 2.769 -9.852 1.00 0.00 H new ATOM 220 N GLN A 15 66.322 3.598 -13.209 1.00 0.00 N ATOM 221 CA GLN A 15 67.226 4.120 -14.242 1.00 0.00 C ATOM 222 C GLN A 15 67.420 5.626 -14.064 1.00 0.00 C ATOM 223 O GLN A 15 66.474 6.404 -14.196 1.00 0.00 O ATOM 224 CB GLN A 15 66.648 3.838 -15.631 1.00 0.00 C ATOM 225 CG GLN A 15 66.670 2.331 -15.886 1.00 0.00 C ATOM 226 CD GLN A 15 66.039 2.016 -17.239 1.00 0.00 C ATOM 227 OE1 GLN A 15 66.328 2.684 -18.231 1.00 0.00 O ATOM 228 NE2 GLN A 15 65.197 1.024 -17.338 1.00 0.00 N ATOM 0 H GLN A 15 65.361 3.933 -13.282 1.00 0.00 H new ATOM 0 HA GLN A 15 68.191 3.624 -14.144 1.00 0.00 H new ATOM 0 HB2 GLN A 15 65.628 4.216 -15.697 1.00 0.00 H new ATOM 0 HB3 GLN A 15 67.230 4.357 -16.393 1.00 0.00 H new ATOM 0 HG2 GLN A 15 67.697 1.966 -15.862 1.00 0.00 H new ATOM 0 HG3 GLN A 15 66.128 1.813 -15.095 1.00 0.00 H new ATOM 0 HE21 GLN A 15 64.960 0.472 -16.514 1.00 0.00 H new ATOM 0 HE22 GLN A 15 64.776 0.800 -18.240 1.00 0.00 H new ATOM 237 N LEU A 16 68.657 6.027 -13.753 1.00 0.00 N ATOM 238 CA LEU A 16 68.989 7.445 -13.542 1.00 0.00 C ATOM 239 C LEU A 16 70.044 7.917 -14.544 1.00 0.00 C ATOM 240 O LEU A 16 71.044 7.236 -14.767 1.00 0.00 O ATOM 241 CB LEU A 16 69.533 7.632 -12.125 1.00 0.00 C ATOM 242 CG LEU A 16 68.489 7.164 -11.106 1.00 0.00 C ATOM 243 CD1 LEU A 16 69.116 7.175 -9.711 1.00 0.00 C ATOM 244 CD2 LEU A 16 67.259 8.097 -11.139 1.00 0.00 C ATOM 0 H LEU A 16 69.447 5.391 -13.641 1.00 0.00 H new ATOM 0 HA LEU A 16 68.083 8.034 -13.684 1.00 0.00 H new ATOM 0 HB2 LEU A 16 70.456 7.065 -12.001 1.00 0.00 H new ATOM 0 HB3 LEU A 16 69.778 8.680 -11.954 1.00 0.00 H new ATOM 0 HG LEU A 16 68.164 6.154 -11.355 1.00 0.00 H new ATOM 0 HD11 LEU A 16 68.380 6.843 -8.979 1.00 0.00 H new ATOM 0 HD12 LEU A 16 69.974 6.504 -9.693 1.00 0.00 H new ATOM 0 HD13 LEU A 16 69.441 8.186 -9.466 1.00 0.00 H new ATOM 0 HD21 LEU A 16 66.523 7.755 -10.411 1.00 0.00 H new ATOM 0 HD22 LEU A 16 67.567 9.114 -10.894 1.00 0.00 H new ATOM 0 HD23 LEU A 16 66.817 8.082 -12.135 1.00 0.00 H new ATOM 256 N SER A 17 69.830 9.094 -15.131 1.00 0.00 N ATOM 257 CA SER A 17 70.785 9.644 -16.092 1.00 0.00 C ATOM 258 C SER A 17 72.124 9.919 -15.404 1.00 0.00 C ATOM 259 O SER A 17 72.170 10.171 -14.204 1.00 0.00 O ATOM 260 CB SER A 17 70.233 10.936 -16.698 1.00 0.00 C ATOM 261 OG SER A 17 71.216 11.525 -17.541 1.00 0.00 O ATOM 0 H SER A 17 69.013 9.680 -14.960 1.00 0.00 H new ATOM 0 HA SER A 17 70.941 8.917 -16.889 1.00 0.00 H new ATOM 0 HB2 SER A 17 69.329 10.725 -17.269 1.00 0.00 H new ATOM 0 HB3 SER A 17 69.955 11.631 -15.906 1.00 0.00 H new ATOM 0 HG SER A 17 70.861 12.351 -17.930 1.00 0.00 H new ATOM 267 N GLU A 18 73.208 9.849 -16.165 1.00 0.00 N ATOM 268 CA GLU A 18 74.544 10.073 -15.611 1.00 0.00 C ATOM 269 C GLU A 18 74.640 11.427 -14.911 1.00 0.00 C ATOM 270 O GLU A 18 74.044 12.410 -15.347 1.00 0.00 O ATOM 271 CB GLU A 18 75.582 9.998 -16.732 1.00 0.00 C ATOM 272 CG GLU A 18 76.986 10.184 -16.152 1.00 0.00 C ATOM 273 CD GLU A 18 78.027 10.012 -17.252 1.00 0.00 C ATOM 274 OE1 GLU A 18 79.167 10.382 -17.026 1.00 0.00 O ATOM 275 OE2 GLU A 18 77.667 9.520 -18.309 1.00 0.00 O1- ATOM 0 H GLU A 18 73.193 9.640 -17.163 1.00 0.00 H new ATOM 0 HA GLU A 18 74.738 9.297 -14.871 1.00 0.00 H new ATOM 0 HB2 GLU A 18 75.513 9.036 -17.240 1.00 0.00 H new ATOM 0 HB3 GLU A 18 75.382 10.767 -17.478 1.00 0.00 H new ATOM 0 HG2 GLU A 18 77.076 11.174 -15.705 1.00 0.00 H new ATOM 0 HG3 GLU A 18 77.160 9.458 -15.357 1.00 0.00 H new ATOM 282 N GLY A 19 75.410 11.467 -13.824 1.00 0.00 N ATOM 283 CA GLY A 19 75.590 12.707 -13.075 1.00 0.00 C ATOM 284 C GLY A 19 74.386 12.999 -12.188 1.00 0.00 C ATOM 285 O GLY A 19 74.182 14.138 -11.768 1.00 0.00 O ATOM 0 H GLY A 19 75.913 10.664 -13.447 1.00 0.00 H new ATOM 0 HA2 GLY A 19 76.488 12.636 -12.461 1.00 0.00 H new ATOM 0 HA3 GLY A 19 75.742 13.534 -13.768 1.00 0.00 H new ATOM 289 N GLN A 20 73.579 11.968 -11.909 1.00 0.00 N ATOM 290 CA GLN A 20 72.385 12.138 -11.072 1.00 0.00 C ATOM 291 C GLN A 20 72.513 11.362 -9.768 1.00 0.00 C ATOM 292 O GLN A 20 73.089 10.275 -9.725 1.00 0.00 O ATOM 293 CB GLN A 20 71.133 11.672 -11.821 1.00 0.00 C ATOM 294 CG GLN A 20 70.913 12.561 -13.047 1.00 0.00 C ATOM 295 CD GLN A 20 70.557 13.978 -12.605 1.00 0.00 C ATOM 296 OE1 GLN A 20 69.636 14.166 -11.813 1.00 0.00 O ATOM 297 NE2 GLN A 20 71.244 14.990 -13.065 1.00 0.00 N ATOM 0 H GLN A 20 73.728 11.017 -12.246 1.00 0.00 H new ATOM 0 HA GLN A 20 72.294 13.199 -10.840 1.00 0.00 H new ATOM 0 HB2 GLN A 20 71.245 10.632 -12.128 1.00 0.00 H new ATOM 0 HB3 GLN A 20 70.265 11.718 -11.164 1.00 0.00 H new ATOM 0 HG2 GLN A 20 71.813 12.578 -13.661 1.00 0.00 H new ATOM 0 HG3 GLN A 20 70.114 12.152 -13.665 1.00 0.00 H new ATOM 0 HE21 GLN A 20 72.008 14.831 -13.722 1.00 0.00 H new ATOM 0 HE22 GLN A 20 71.016 15.939 -12.767 1.00 0.00 H new ATOM 306 N ASP A 21 71.959 11.939 -8.707 1.00 0.00 N ATOM 307 CA ASP A 21 71.994 11.316 -7.390 1.00 0.00 C ATOM 308 C ASP A 21 70.991 10.169 -7.328 1.00 0.00 C ATOM 309 O ASP A 21 70.158 10.024 -8.223 1.00 0.00 O ATOM 310 CB ASP A 21 71.652 12.362 -6.324 1.00 0.00 C ATOM 311 CG ASP A 21 70.279 12.965 -6.605 1.00 0.00 C ATOM 312 OD1 ASP A 21 69.684 12.595 -7.604 1.00 0.00 O ATOM 313 OD2 ASP A 21 69.848 13.795 -5.822 1.00 0.00 O1- ATOM 0 H ASP A 21 71.480 12.839 -8.734 1.00 0.00 H new ATOM 0 HA ASP A 21 72.993 10.921 -7.205 1.00 0.00 H new ATOM 0 HB2 ASP A 21 71.661 11.902 -5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 21 72.408 13.147 -6.317 1.00 0.00 H new ATOM 318 N ALA A 22 71.074 9.351 -6.278 1.00 0.00 N ATOM 319 CA ALA A 22 70.160 8.212 -6.131 1.00 0.00 C ATOM 320 C ALA A 22 69.737 8.037 -4.674 1.00 0.00 C ATOM 321 O ALA A 22 70.536 8.233 -3.761 1.00 0.00 O ATOM 322 CB ALA A 22 70.853 6.937 -6.621 1.00 0.00 C ATOM 0 H ALA A 22 71.754 9.451 -5.525 1.00 0.00 H new ATOM 0 HA ALA A 22 69.268 8.403 -6.728 1.00 0.00 H new ATOM 0 HB1 ALA A 22 70.176 6.090 -6.513 1.00 0.00 H new ATOM 0 HB2 ALA A 22 71.126 7.051 -7.670 1.00 0.00 H new ATOM 0 HB3 ALA A 22 71.752 6.761 -6.030 1.00 0.00 H new ATOM 328 N SER A 23 68.471 7.660 -4.463 1.00 0.00 N ATOM 329 CA SER A 23 67.944 7.454 -3.107 1.00 0.00 C ATOM 330 C SER A 23 67.105 6.179 -3.031 1.00 0.00 C ATOM 331 O SER A 23 66.516 5.751 -4.023 1.00 0.00 O ATOM 332 CB SER A 23 67.091 8.649 -2.686 1.00 0.00 C ATOM 333 OG SER A 23 67.900 9.816 -2.686 1.00 0.00 O ATOM 0 H SER A 23 67.795 7.492 -5.208 1.00 0.00 H new ATOM 0 HA SER A 23 68.792 7.354 -2.430 1.00 0.00 H new ATOM 0 HB2 SER A 23 66.252 8.772 -3.370 1.00 0.00 H new ATOM 0 HB3 SER A 23 66.671 8.482 -1.694 1.00 0.00 H new ATOM 0 HG SER A 23 67.360 10.589 -2.418 1.00 0.00 H new ATOM 339 N PHE A 24 67.053 5.584 -1.836 1.00 0.00 N ATOM 340 CA PHE A 24 66.281 4.357 -1.608 1.00 0.00 C ATOM 341 C PHE A 24 65.485 4.463 -0.308 1.00 0.00 C ATOM 342 O PHE A 24 65.894 5.164 0.614 1.00 0.00 O ATOM 343 CB PHE A 24 67.222 3.156 -1.509 1.00 0.00 C ATOM 344 CG PHE A 24 67.886 2.912 -2.842 1.00 0.00 C ATOM 345 CD1 PHE A 24 69.232 3.247 -3.043 1.00 0.00 C ATOM 346 CD2 PHE A 24 67.150 2.336 -3.874 1.00 0.00 C ATOM 347 CE1 PHE A 24 69.834 3.002 -4.285 1.00 0.00 C ATOM 348 CE2 PHE A 24 67.746 2.094 -5.114 1.00 0.00 C ATOM 349 CZ PHE A 24 69.089 2.424 -5.320 1.00 0.00 C ATOM 0 H PHE A 24 67.537 5.933 -1.009 1.00 0.00 H new ATOM 0 HA PHE A 24 65.597 4.225 -2.446 1.00 0.00 H new ATOM 0 HB2 PHE A 24 67.977 3.337 -0.744 1.00 0.00 H new ATOM 0 HB3 PHE A 24 66.665 2.271 -1.203 1.00 0.00 H new ATOM 0 HD1 PHE A 24 69.804 3.693 -2.243 1.00 0.00 H new ATOM 0 HD2 PHE A 24 66.114 2.075 -3.715 1.00 0.00 H new ATOM 0 HE1 PHE A 24 70.871 3.259 -4.443 1.00 0.00 H new ATOM 0 HE2 PHE A 24 67.170 1.652 -5.913 1.00 0.00 H new ATOM 0 HZ PHE A 24 69.552 2.233 -6.277 1.00 0.00 H new ATOM 359 N GLN A 25 64.354 3.755 -0.229 1.00 0.00 N ATOM 360 CA GLN A 25 63.525 3.780 0.984 1.00 0.00 C ATOM 361 C GLN A 25 63.101 2.362 1.368 1.00 0.00 C ATOM 362 O GLN A 25 62.848 1.525 0.501 1.00 0.00 O ATOM 363 CB GLN A 25 62.287 4.653 0.758 1.00 0.00 C ATOM 364 CG GLN A 25 61.483 4.749 2.056 1.00 0.00 C ATOM 365 CD GLN A 25 60.338 5.747 1.891 1.00 0.00 C ATOM 366 OE1 GLN A 25 60.353 6.564 0.970 1.00 0.00 O ATOM 367 NE2 GLN A 25 59.336 5.729 2.731 1.00 0.00 N ATOM 0 H GLN A 25 63.994 3.165 -0.979 1.00 0.00 H new ATOM 0 HA GLN A 25 64.113 4.202 1.799 1.00 0.00 H new ATOM 0 HB2 GLN A 25 62.586 5.648 0.429 1.00 0.00 H new ATOM 0 HB3 GLN A 25 61.670 4.228 -0.034 1.00 0.00 H new ATOM 0 HG2 GLN A 25 61.086 3.769 2.321 1.00 0.00 H new ATOM 0 HG3 GLN A 25 62.133 5.061 2.873 1.00 0.00 H new ATOM 0 HE21 GLN A 25 59.323 5.053 3.494 1.00 0.00 H new ATOM 0 HE22 GLN A 25 58.568 6.391 2.623 1.00 0.00 H new ATOM 376 N CYS A 26 63.041 2.093 2.675 1.00 0.00 N ATOM 377 CA CYS A 26 62.666 0.766 3.164 1.00 0.00 C ATOM 378 C CYS A 26 61.975 0.845 4.524 1.00 0.00 C ATOM 379 O CYS A 26 62.046 1.858 5.218 1.00 0.00 O ATOM 380 CB CYS A 26 63.917 -0.107 3.281 1.00 0.00 C ATOM 381 SG CYS A 26 64.856 -0.016 1.737 1.00 0.00 S ATOM 0 H CYS A 26 63.246 2.772 3.408 1.00 0.00 H new ATOM 0 HA CYS A 26 61.966 0.329 2.452 1.00 0.00 H new ATOM 0 HB2 CYS A 26 64.533 0.230 4.115 1.00 0.00 H new ATOM 0 HB3 CYS A 26 63.636 -1.139 3.489 1.00 0.00 H new ATOM 0 HG CYS A 26 64.071 0.365 0.773 1.00 0.00 H new ATOM 387 N ARG A 27 61.316 -0.251 4.895 1.00 0.00 N ATOM 388 CA ARG A 27 60.611 -0.354 6.172 1.00 0.00 C ATOM 389 C ARG A 27 60.947 -1.690 6.812 1.00 0.00 C ATOM 390 O ARG A 27 60.395 -2.721 6.429 1.00 0.00 O ATOM 391 CB ARG A 27 59.106 -0.268 5.943 1.00 0.00 C ATOM 392 CG ARG A 27 58.730 1.156 5.538 1.00 0.00 C ATOM 393 CD ARG A 27 57.241 1.208 5.202 1.00 0.00 C ATOM 394 NE ARG A 27 56.842 2.573 4.894 1.00 0.00 N ATOM 395 CZ ARG A 27 55.561 2.901 4.790 1.00 0.00 C ATOM 396 NH1 ARG A 27 54.858 3.151 5.859 1.00 0.00 N1+ ATOM 397 NH2 ARG A 27 55.000 2.962 3.617 1.00 0.00 N ATOM 0 H ARG A 27 61.255 -1.092 4.320 1.00 0.00 H new ATOM 0 HA ARG A 27 60.919 0.463 6.825 1.00 0.00 H new ATOM 0 HB2 ARG A 27 58.806 -0.970 5.165 1.00 0.00 H new ATOM 0 HB3 ARG A 27 58.573 -0.552 6.851 1.00 0.00 H new ATOM 0 HG2 ARG A 27 58.956 1.849 6.349 1.00 0.00 H new ATOM 0 HG3 ARG A 27 59.320 1.469 4.677 1.00 0.00 H new ATOM 0 HD2 ARG A 27 57.030 0.559 4.352 1.00 0.00 H new ATOM 0 HD3 ARG A 27 56.658 0.832 6.043 1.00 0.00 H new ATOM 0 HE ARG A 27 57.557 3.287 4.756 1.00 0.00 H new ATOM 0 HH11 ARG A 27 55.293 3.095 6.780 1.00 0.00 H new ATOM 0 HH12 ARG A 27 53.873 3.403 5.774 1.00 0.00 H new ATOM 0 HH21 ARG A 27 55.545 2.758 2.780 1.00 0.00 H new ATOM 0 HH22 ARG A 27 54.015 3.214 3.535 1.00 0.00 H new ATOM 411 N LEU A 28 61.876 -1.676 7.766 1.00 0.00 N ATOM 412 CA LEU A 28 62.304 -2.909 8.432 1.00 0.00 C ATOM 413 C LEU A 28 62.019 -2.855 9.927 1.00 0.00 C ATOM 414 O LEU A 28 62.417 -1.916 10.602 1.00 0.00 O ATOM 415 CB LEU A 28 63.815 -3.101 8.222 1.00 0.00 C ATOM 416 CG LEU A 28 64.168 -3.049 6.725 1.00 0.00 C ATOM 417 CD1 LEU A 28 65.692 -3.058 6.558 1.00 0.00 C ATOM 418 CD2 LEU A 28 63.590 -4.272 6.008 1.00 0.00 C ATOM 0 H LEU A 28 62.345 -0.832 8.095 1.00 0.00 H new ATOM 0 HA LEU A 28 61.747 -3.741 8.000 1.00 0.00 H new ATOM 0 HB2 LEU A 28 64.363 -2.325 8.757 1.00 0.00 H new ATOM 0 HB3 LEU A 28 64.127 -4.058 8.641 1.00 0.00 H new ATOM 0 HG LEU A 28 63.748 -2.139 6.296 1.00 0.00 H new ATOM 0 HD11 LEU A 28 65.942 -3.021 5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 28 66.118 -2.190 7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 28 66.101 -3.969 6.996 1.00 0.00 H new ATOM 0 HD21 LEU A 28 63.845 -4.227 4.949 1.00 0.00 H new ATOM 0 HD22 LEU A 28 64.007 -5.180 6.443 1.00 0.00 H new ATOM 0 HD23 LEU A 28 62.506 -4.281 6.120 1.00 0.00 H new ATOM 430 N SER A 29 61.357 -3.886 10.449 1.00 0.00 N ATOM 431 CA SER A 29 61.074 -3.929 11.882 1.00 0.00 C ATOM 432 C SER A 29 62.359 -4.245 12.630 1.00 0.00 C ATOM 433 O SER A 29 63.317 -4.747 12.040 1.00 0.00 O ATOM 434 CB SER A 29 59.993 -4.952 12.216 1.00 0.00 C ATOM 435 OG SER A 29 60.568 -6.245 12.233 1.00 0.00 O ATOM 0 H SER A 29 61.014 -4.685 9.916 1.00 0.00 H new ATOM 0 HA SER A 29 60.695 -2.955 12.191 1.00 0.00 H new ATOM 0 HB2 SER A 29 59.548 -4.726 13.185 1.00 0.00 H new ATOM 0 HB3 SER A 29 59.192 -4.907 11.479 1.00 0.00 H new ATOM 0 HG SER A 29 59.965 -6.865 12.694 1.00 0.00 H new ATOM 441 N ARG A 30 62.377 -3.893 13.909 1.00 0.00 N ATOM 442 CA ARG A 30 63.558 -4.048 14.762 1.00 0.00 C ATOM 443 C ARG A 30 64.097 -5.474 14.881 1.00 0.00 C ATOM 444 O ARG A 30 63.471 -6.446 14.461 1.00 0.00 O ATOM 445 CB ARG A 30 63.223 -3.510 16.146 1.00 0.00 C ATOM 446 CG ARG A 30 62.243 -4.440 16.872 1.00 0.00 C ATOM 447 CD ARG A 30 61.933 -3.852 18.247 1.00 0.00 C ATOM 448 NE ARG A 30 60.919 -4.655 18.925 1.00 0.00 N ATOM 449 CZ ARG A 30 61.248 -5.680 19.704 1.00 0.00 C ATOM 450 NH1 ARG A 30 61.969 -6.658 19.231 1.00 0.00 N1+ ATOM 451 NH2 ARG A 30 60.856 -5.698 20.946 1.00 0.00 N ATOM 0 H ARG A 30 61.573 -3.490 14.390 1.00 0.00 H new ATOM 0 HA ARG A 30 64.358 -3.486 14.281 1.00 0.00 H new ATOM 0 HB2 ARG A 30 64.136 -3.409 16.732 1.00 0.00 H new ATOM 0 HB3 ARG A 30 62.788 -2.514 16.058 1.00 0.00 H new ATOM 0 HG2 ARG A 30 61.326 -4.549 16.293 1.00 0.00 H new ATOM 0 HG3 ARG A 30 62.674 -5.436 16.976 1.00 0.00 H new ATOM 0 HD2 ARG A 30 62.841 -3.818 18.848 1.00 0.00 H new ATOM 0 HD3 ARG A 30 61.582 -2.825 18.140 1.00 0.00 H new ATOM 0 HE ARG A 30 59.934 -4.423 18.797 1.00 0.00 H new ATOM 0 HH11 ARG A 30 62.282 -6.638 18.260 1.00 0.00 H new ATOM 0 HH12 ARG A 30 62.220 -7.443 19.832 1.00 0.00 H new ATOM 0 HH21 ARG A 30 60.299 -4.928 21.316 1.00 0.00 H new ATOM 0 HH22 ARG A 30 61.106 -6.482 21.548 1.00 0.00 H new ATOM 465 N ALA A 31 65.292 -5.552 15.477 1.00 0.00 N ATOM 466 CA ALA A 31 65.994 -6.813 15.691 1.00 0.00 C ATOM 467 C ALA A 31 65.312 -7.659 16.757 1.00 0.00 C ATOM 468 O ALA A 31 64.684 -7.139 17.680 1.00 0.00 O ATOM 469 CB ALA A 31 67.441 -6.532 16.117 1.00 0.00 C ATOM 0 H ALA A 31 65.797 -4.737 15.824 1.00 0.00 H new ATOM 0 HA ALA A 31 65.978 -7.368 14.753 1.00 0.00 H new ATOM 0 HB1 ALA A 31 67.963 -7.475 16.276 1.00 0.00 H new ATOM 0 HB2 ALA A 31 67.947 -5.965 15.336 1.00 0.00 H new ATOM 0 HB3 ALA A 31 67.443 -5.956 17.042 1.00 0.00 H new ATOM 475 N SER A 32 65.459 -8.974 16.623 1.00 0.00 N ATOM 476 CA SER A 32 64.879 -9.919 17.573 1.00 0.00 C ATOM 477 C SER A 32 65.875 -11.035 17.832 1.00 0.00 C ATOM 478 O SER A 32 66.259 -11.293 18.973 1.00 0.00 O ATOM 479 CB SER A 32 63.582 -10.503 17.011 1.00 0.00 C ATOM 480 OG SER A 32 62.614 -9.467 16.911 1.00 0.00 O ATOM 0 H SER A 32 65.978 -9.411 15.861 1.00 0.00 H new ATOM 0 HA SER A 32 64.653 -9.402 18.506 1.00 0.00 H new ATOM 0 HB2 SER A 32 63.762 -10.946 16.032 1.00 0.00 H new ATOM 0 HB3 SER A 32 63.216 -11.299 17.659 1.00 0.00 H new ATOM 0 HG SER A 32 62.460 -9.253 15.967 1.00 0.00 H new ATOM 486 N GLY A 33 66.316 -11.675 16.753 1.00 0.00 N ATOM 487 CA GLY A 33 67.301 -12.747 16.850 1.00 0.00 C ATOM 488 C GLY A 33 68.672 -12.199 16.489 1.00 0.00 C ATOM 489 O GLY A 33 69.561 -12.110 17.335 1.00 0.00 O ATOM 0 H GLY A 33 66.007 -11.470 15.803 1.00 0.00 H new ATOM 0 HA2 GLY A 33 67.314 -13.155 17.861 1.00 0.00 H new ATOM 0 HA3 GLY A 33 67.034 -13.564 16.180 1.00 0.00 H new ATOM 493 N GLN A 34 68.823 -11.801 15.225 1.00 0.00 N ATOM 494 CA GLN A 34 70.078 -11.221 14.744 1.00 0.00 C ATOM 495 C GLN A 34 69.816 -9.838 14.151 1.00 0.00 C ATOM 496 O GLN A 34 68.769 -9.598 13.550 1.00 0.00 O ATOM 497 CB GLN A 34 70.720 -12.118 13.678 1.00 0.00 C ATOM 498 CG GLN A 34 71.089 -13.492 14.271 1.00 0.00 C ATOM 499 CD GLN A 34 69.897 -14.447 14.215 1.00 0.00 C ATOM 500 OE1 GLN A 34 69.084 -14.484 15.137 1.00 0.00 O ATOM 501 NE2 GLN A 34 69.751 -15.231 13.180 1.00 0.00 N ATOM 0 H GLN A 34 68.093 -11.870 14.516 1.00 0.00 H new ATOM 0 HA GLN A 34 70.761 -11.136 15.589 1.00 0.00 H new ATOM 0 HB2 GLN A 34 70.031 -12.250 12.844 1.00 0.00 H new ATOM 0 HB3 GLN A 34 71.613 -11.636 13.281 1.00 0.00 H new ATOM 0 HG2 GLN A 34 71.927 -13.917 13.720 1.00 0.00 H new ATOM 0 HG3 GLN A 34 71.415 -13.371 15.304 1.00 0.00 H new ATOM 0 HE21 GLN A 34 70.426 -15.199 12.416 1.00 0.00 H new ATOM 0 HE22 GLN A 34 68.962 -15.875 13.136 1.00 0.00 H new ATOM 510 N GLU A 35 70.772 -8.935 14.328 1.00 0.00 N ATOM 511 CA GLU A 35 70.636 -7.574 13.808 1.00 0.00 C ATOM 512 C GLU A 35 70.871 -7.536 12.299 1.00 0.00 C ATOM 513 O GLU A 35 71.706 -8.272 11.771 1.00 0.00 O ATOM 514 CB GLU A 35 71.615 -6.634 14.521 1.00 0.00 C ATOM 515 CG GLU A 35 73.046 -7.179 14.425 1.00 0.00 C ATOM 516 CD GLU A 35 73.255 -8.303 15.436 1.00 0.00 C ATOM 517 OE1 GLU A 35 73.902 -9.276 15.087 1.00 0.00 O ATOM 518 OE2 GLU A 35 72.760 -8.177 16.546 1.00 0.00 O1- ATOM 0 H GLU A 35 71.645 -9.115 14.823 1.00 0.00 H new ATOM 0 HA GLU A 35 69.617 -7.238 14.001 1.00 0.00 H new ATOM 0 HB2 GLU A 35 71.567 -5.641 14.074 1.00 0.00 H new ATOM 0 HB3 GLU A 35 71.329 -6.527 15.567 1.00 0.00 H new ATOM 0 HG2 GLU A 35 73.235 -7.548 13.417 1.00 0.00 H new ATOM 0 HG3 GLU A 35 73.761 -6.377 14.610 1.00 0.00 H new ATOM 525 N ALA A 36 70.120 -6.682 11.606 1.00 0.00 N ATOM 526 CA ALA A 36 70.243 -6.567 10.151 1.00 0.00 C ATOM 527 C ALA A 36 71.505 -5.799 9.753 1.00 0.00 C ATOM 528 O ALA A 36 72.000 -4.961 10.510 1.00 0.00 O ATOM 529 CB ALA A 36 69.008 -5.866 9.577 1.00 0.00 C ATOM 0 H ALA A 36 69.425 -6.063 12.023 1.00 0.00 H new ATOM 0 HA ALA A 36 70.318 -7.574 9.741 1.00 0.00 H new ATOM 0 HB1 ALA A 36 69.106 -5.784 8.495 1.00 0.00 H new ATOM 0 HB2 ALA A 36 68.116 -6.445 9.817 1.00 0.00 H new ATOM 0 HB3 ALA A 36 68.921 -4.869 10.010 1.00 0.00 H new ATOM 535 N ARG A 37 72.023 -6.098 8.554 1.00 0.00 N ATOM 536 CA ARG A 37 73.236 -5.439 8.046 1.00 0.00 C ATOM 537 C ARG A 37 73.014 -4.877 6.637 1.00 0.00 C ATOM 538 O ARG A 37 72.396 -5.520 5.788 1.00 0.00 O ATOM 539 CB ARG A 37 74.400 -6.442 8.002 1.00 0.00 C ATOM 540 CG ARG A 37 74.728 -6.922 9.420 1.00 0.00 C ATOM 541 CD ARG A 37 75.908 -7.900 9.379 1.00 0.00 C ATOM 542 NE ARG A 37 75.522 -9.157 8.743 1.00 0.00 N ATOM 543 CZ ARG A 37 76.443 -10.012 8.297 1.00 0.00 C ATOM 544 NH1 ARG A 37 76.931 -10.929 9.089 1.00 0.00 N1+ ATOM 545 NH2 ARG A 37 76.857 -9.936 7.064 1.00 0.00 N ATOM 0 H ARG A 37 71.624 -6.789 7.919 1.00 0.00 H new ATOM 0 HA ARG A 37 73.474 -4.617 8.721 1.00 0.00 H new ATOM 0 HB2 ARG A 37 74.136 -7.292 7.373 1.00 0.00 H new ATOM 0 HB3 ARG A 37 75.277 -5.975 7.555 1.00 0.00 H new ATOM 0 HG2 ARG A 37 74.972 -6.070 10.054 1.00 0.00 H new ATOM 0 HG3 ARG A 37 73.857 -7.408 9.860 1.00 0.00 H new ATOM 0 HD2 ARG A 37 76.738 -7.452 8.833 1.00 0.00 H new ATOM 0 HD3 ARG A 37 76.260 -8.094 10.392 1.00 0.00 H new ATOM 0 HE ARG A 37 74.533 -9.384 8.638 1.00 0.00 H new ATOM 0 HH11 ARG A 37 76.608 -10.994 10.054 1.00 0.00 H new ATOM 0 HH12 ARG A 37 77.635 -11.580 8.742 1.00 0.00 H new ATOM 0 HH21 ARG A 37 76.477 -9.223 6.441 1.00 0.00 H new ATOM 0 HH22 ARG A 37 77.561 -10.589 6.721 1.00 0.00 H new ATOM 559 N TRP A 38 73.556 -3.680 6.398 1.00 0.00 N ATOM 560 CA TRP A 38 73.460 -3.014 5.089 1.00 0.00 C ATOM 561 C TRP A 38 74.794 -3.208 4.363 1.00 0.00 C ATOM 562 O TRP A 38 75.828 -3.342 5.018 1.00 0.00 O ATOM 563 CB TRP A 38 73.175 -1.509 5.304 1.00 0.00 C ATOM 564 CG TRP A 38 72.377 -0.936 4.167 1.00 0.00 C ATOM 565 CD1 TRP A 38 72.836 -0.050 3.250 1.00 0.00 C ATOM 566 CD2 TRP A 38 70.981 -1.179 3.835 1.00 0.00 C ATOM 567 NE1 TRP A 38 71.809 0.257 2.372 1.00 0.00 N ATOM 568 CE2 TRP A 38 70.646 -0.416 2.692 1.00 0.00 C ATOM 569 CE3 TRP A 38 69.986 -1.987 4.407 1.00 0.00 C ATOM 570 CZ2 TRP A 38 69.365 -0.453 2.139 1.00 0.00 C ATOM 571 CZ3 TRP A 38 68.697 -2.030 3.856 1.00 0.00 C ATOM 572 CH2 TRP A 38 68.386 -1.263 2.723 1.00 0.00 C ATOM 0 H TRP A 38 74.071 -3.146 7.098 1.00 0.00 H new ATOM 0 HA TRP A 38 72.651 -3.437 4.493 1.00 0.00 H new ATOM 0 HB2 TRP A 38 72.632 -1.370 6.239 1.00 0.00 H new ATOM 0 HB3 TRP A 38 74.117 -0.968 5.399 1.00 0.00 H new ATOM 0 HD1 TRP A 38 73.838 0.351 3.210 1.00 0.00 H new ATOM 0 HE1 TRP A 38 71.901 0.901 1.586 1.00 0.00 H new ATOM 0 HE3 TRP A 38 70.215 -2.581 5.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 69.132 0.139 1.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 67.941 -2.656 4.306 1.00 0.00 H new ATOM 0 HH2 TRP A 38 67.392 -1.298 2.302 1.00 0.00 H new ATOM 583 N ALA A 39 74.792 -3.241 3.030 1.00 0.00 N ATOM 584 CA ALA A 39 76.050 -3.443 2.313 1.00 0.00 C ATOM 585 C ALA A 39 75.887 -3.242 0.809 1.00 0.00 C ATOM 586 O ALA A 39 74.786 -3.359 0.271 1.00 0.00 O ATOM 587 CB ALA A 39 76.573 -4.854 2.583 1.00 0.00 C ATOM 0 H ALA A 39 73.965 -3.135 2.442 1.00 0.00 H new ATOM 0 HA ALA A 39 76.761 -2.700 2.675 1.00 0.00 H new ATOM 0 HB1 ALA A 39 77.511 -5.003 2.048 1.00 0.00 H new ATOM 0 HB2 ALA A 39 76.741 -4.981 3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 39 75.840 -5.585 2.242 1.00 0.00 H new ATOM 593 N LEU A 40 77.005 -2.939 0.138 1.00 0.00 N ATOM 594 CA LEU A 40 77.014 -2.715 -1.314 1.00 0.00 C ATOM 595 C LEU A 40 78.010 -3.659 -1.994 1.00 0.00 C ATOM 596 O LEU A 40 79.187 -3.686 -1.639 1.00 0.00 O ATOM 597 CB LEU A 40 77.403 -1.253 -1.584 1.00 0.00 C ATOM 598 CG LEU A 40 77.207 -0.885 -3.071 1.00 0.00 C ATOM 599 CD1 LEU A 40 77.184 0.643 -3.205 1.00 0.00 C ATOM 600 CD2 LEU A 40 78.351 -1.458 -3.941 1.00 0.00 C ATOM 0 H LEU A 40 77.919 -2.843 0.579 1.00 0.00 H new ATOM 0 HA LEU A 40 76.023 -2.917 -1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 40 76.799 -0.593 -0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 40 78.444 -1.093 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 40 76.266 -1.313 -3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 40 77.046 0.914 -4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 40 76.363 1.048 -2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 40 78.127 1.054 -2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 40 78.188 -1.184 -4.983 1.00 0.00 H new ATOM 0 HD22 LEU A 40 79.304 -1.050 -3.604 1.00 0.00 H new ATOM 0 HD23 LEU A 40 78.368 -2.544 -3.850 1.00 0.00 H new ATOM 612 N GLY A 41 77.532 -4.429 -2.976 1.00 0.00 N ATOM 613 CA GLY A 41 78.395 -5.365 -3.697 1.00 0.00 C ATOM 614 C GLY A 41 78.818 -6.520 -2.797 1.00 0.00 C ATOM 615 O GLY A 41 79.825 -7.181 -3.046 1.00 0.00 O ATOM 0 H GLY A 41 76.561 -4.422 -3.287 1.00 0.00 H new ATOM 0 HA2 GLY A 41 77.869 -5.753 -4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 41 79.278 -4.842 -4.064 1.00 0.00 H new ATOM 619 N GLY A 42 78.039 -6.754 -1.751 1.00 0.00 N ATOM 620 CA GLY A 42 78.334 -7.830 -0.814 1.00 0.00 C ATOM 621 C GLY A 42 79.434 -7.418 0.161 1.00 0.00 C ATOM 622 O GLY A 42 79.921 -8.235 0.942 1.00 0.00 O ATOM 0 H GLY A 42 77.201 -6.216 -1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 42 77.432 -8.093 -0.261 1.00 0.00 H new ATOM 0 HA3 GLY A 42 78.643 -8.720 -1.362 1.00 0.00 H new ATOM 626 N VAL A 43 79.817 -6.141 0.111 1.00 0.00 N ATOM 627 CA VAL A 43 80.860 -5.605 0.997 1.00 0.00 C ATOM 628 C VAL A 43 80.231 -4.582 1.957 1.00 0.00 C ATOM 629 O VAL A 43 79.544 -3.669 1.502 1.00 0.00 O ATOM 630 CB VAL A 43 81.943 -4.907 0.151 1.00 0.00 C ATOM 631 CG1 VAL A 43 83.040 -4.323 1.053 1.00 0.00 C ATOM 632 CG2 VAL A 43 82.581 -5.917 -0.805 1.00 0.00 C ATOM 0 H VAL A 43 79.422 -5.456 -0.533 1.00 0.00 H new ATOM 0 HA VAL A 43 81.309 -6.419 1.566 1.00 0.00 H new ATOM 0 HB VAL A 43 81.471 -4.101 -0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 43 83.795 -3.834 0.437 1.00 0.00 H new ATOM 0 HG12 VAL A 43 82.601 -3.595 1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 43 83.504 -5.125 1.628 1.00 0.00 H new ATOM 0 HG21 VAL A 43 83.346 -5.420 -1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 43 83.036 -6.724 -0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 43 81.816 -6.327 -1.465 1.00 0.00 H new ATOM 642 N PRO A 44 80.437 -4.683 3.256 1.00 0.00 N ATOM 643 CA PRO A 44 79.841 -3.690 4.191 1.00 0.00 C ATOM 644 C PRO A 44 80.285 -2.263 3.836 1.00 0.00 C ATOM 645 O PRO A 44 81.421 -2.046 3.416 1.00 0.00 O ATOM 646 CB PRO A 44 80.337 -4.100 5.600 1.00 0.00 C ATOM 647 CG PRO A 44 81.176 -5.348 5.443 1.00 0.00 C ATOM 648 CD PRO A 44 81.223 -5.721 3.949 1.00 0.00 C ATOM 0 HA PRO A 44 78.752 -3.687 4.137 1.00 0.00 H new ATOM 0 HB2 PRO A 44 80.924 -3.298 6.048 1.00 0.00 H new ATOM 0 HB3 PRO A 44 79.493 -4.287 6.264 1.00 0.00 H new ATOM 0 HG2 PRO A 44 82.183 -5.177 5.823 1.00 0.00 H new ATOM 0 HG3 PRO A 44 80.751 -6.166 6.024 1.00 0.00 H new ATOM 0 HD2 PRO A 44 82.249 -5.745 3.583 1.00 0.00 H new ATOM 0 HD3 PRO A 44 80.801 -6.711 3.779 1.00 0.00 H new ATOM 656 N LEU A 45 79.374 -1.297 4.002 1.00 0.00 N ATOM 657 CA LEU A 45 79.674 0.108 3.692 1.00 0.00 C ATOM 658 C LEU A 45 79.841 0.930 4.963 1.00 0.00 C ATOM 659 O LEU A 45 79.717 0.414 6.073 1.00 0.00 O ATOM 660 CB LEU A 45 78.569 0.712 2.793 1.00 0.00 C ATOM 661 CG LEU A 45 77.365 1.246 3.602 1.00 0.00 C ATOM 662 CD1 LEU A 45 76.272 1.671 2.621 1.00 0.00 C ATOM 663 CD2 LEU A 45 76.781 0.167 4.523 1.00 0.00 C ATOM 0 H LEU A 45 78.428 -1.460 4.347 1.00 0.00 H new ATOM 0 HA LEU A 45 80.619 0.138 3.149 1.00 0.00 H new ATOM 0 HB2 LEU A 45 78.992 1.524 2.201 1.00 0.00 H new ATOM 0 HB3 LEU A 45 78.222 -0.047 2.092 1.00 0.00 H new ATOM 0 HG LEU A 45 77.708 2.081 4.213 1.00 0.00 H new ATOM 0 HD11 LEU A 45 75.414 2.051 3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 45 76.656 2.453 1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 45 75.967 0.813 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 45 75.937 0.579 5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 45 76.445 -0.679 3.924 1.00 0.00 H new ATOM 0 HD23 LEU A 45 77.546 -0.166 5.224 1.00 0.00 H new ATOM 675 N GLN A 46 80.122 2.215 4.789 1.00 0.00 N ATOM 676 CA GLN A 46 80.301 3.116 5.920 1.00 0.00 C ATOM 677 C GLN A 46 79.785 4.505 5.566 1.00 0.00 C ATOM 678 O GLN A 46 79.805 4.906 4.403 1.00 0.00 O ATOM 679 CB GLN A 46 81.782 3.186 6.301 1.00 0.00 C ATOM 680 CG GLN A 46 82.592 3.791 5.152 1.00 0.00 C ATOM 681 CD GLN A 46 84.058 3.863 5.546 1.00 0.00 C ATOM 682 OE1 GLN A 46 84.382 3.970 6.730 1.00 0.00 O ATOM 683 NE2 GLN A 46 84.972 3.817 4.620 1.00 0.00 N ATOM 0 H GLN A 46 80.231 2.657 3.876 1.00 0.00 H new ATOM 0 HA GLN A 46 79.735 2.736 6.770 1.00 0.00 H new ATOM 0 HB2 GLN A 46 81.906 3.789 7.201 1.00 0.00 H new ATOM 0 HB3 GLN A 46 82.154 2.188 6.532 1.00 0.00 H new ATOM 0 HG2 GLN A 46 82.476 3.186 4.253 1.00 0.00 H new ATOM 0 HG3 GLN A 46 82.219 4.788 4.916 1.00 0.00 H new ATOM 0 HE21 GLN A 46 84.702 3.728 3.640 1.00 0.00 H new ATOM 0 HE22 GLN A 46 85.958 3.870 4.874 1.00 0.00 H new ATOM 692 N ALA A 47 79.322 5.231 6.571 1.00 0.00 N ATOM 693 CA ALA A 47 78.802 6.570 6.346 1.00 0.00 C ATOM 694 C ALA A 47 79.932 7.552 6.029 1.00 0.00 C ATOM 695 O ALA A 47 80.999 7.506 6.643 1.00 0.00 O ATOM 696 CB ALA A 47 78.032 7.031 7.584 1.00 0.00 C ATOM 0 H ALA A 47 79.295 4.919 7.542 1.00 0.00 H new ATOM 0 HA ALA A 47 78.130 6.545 5.488 1.00 0.00 H new ATOM 0 HB1 ALA A 47 77.642 8.035 7.417 1.00 0.00 H new ATOM 0 HB2 ALA A 47 77.205 6.347 7.774 1.00 0.00 H new ATOM 0 HB3 ALA A 47 78.700 7.040 8.445 1.00 0.00 H new ATOM 702 N ASN A 48 79.680 8.439 5.069 1.00 0.00 N ATOM 703 CA ASN A 48 80.667 9.439 4.667 1.00 0.00 C ATOM 704 C ASN A 48 79.999 10.512 3.803 1.00 0.00 C ATOM 705 O ASN A 48 78.780 10.512 3.636 1.00 0.00 O ATOM 706 CB ASN A 48 81.831 8.784 3.909 1.00 0.00 C ATOM 707 CG ASN A 48 81.351 8.191 2.589 1.00 0.00 C ATOM 708 OD1 ASN A 48 80.184 7.830 2.458 1.00 0.00 O ATOM 709 ND2 ASN A 48 82.189 8.072 1.590 1.00 0.00 N ATOM 0 H ASN A 48 78.800 8.486 4.555 1.00 0.00 H new ATOM 0 HA ASN A 48 81.072 9.908 5.563 1.00 0.00 H new ATOM 0 HB2 ASN A 48 82.609 9.523 3.719 1.00 0.00 H new ATOM 0 HB3 ASN A 48 82.277 8.002 4.524 1.00 0.00 H new ATOM 0 HD21 ASN A 48 81.873 7.680 0.703 1.00 0.00 H new ATOM 0 HD22 ASN A 48 83.158 8.372 1.699 1.00 0.00 H new ATOM 716 N GLU A 49 80.798 11.435 3.278 1.00 0.00 N ATOM 717 CA GLU A 49 80.269 12.521 2.456 1.00 0.00 C ATOM 718 C GLU A 49 79.688 12.002 1.142 1.00 0.00 C ATOM 719 O GLU A 49 78.629 12.455 0.701 1.00 0.00 O ATOM 720 CB GLU A 49 81.380 13.535 2.177 1.00 0.00 C ATOM 721 CG GLU A 49 80.812 14.715 1.388 1.00 0.00 C ATOM 722 CD GLU A 49 81.884 15.778 1.183 1.00 0.00 C ATOM 723 OE1 GLU A 49 81.530 16.877 0.787 1.00 0.00 O ATOM 724 OE2 GLU A 49 83.043 15.481 1.422 1.00 0.00 O1- ATOM 0 H GLU A 49 81.810 11.454 3.405 1.00 0.00 H new ATOM 0 HA GLU A 49 79.459 13.002 3.005 1.00 0.00 H new ATOM 0 HB2 GLU A 49 81.810 13.885 3.115 1.00 0.00 H new ATOM 0 HB3 GLU A 49 82.185 13.062 1.614 1.00 0.00 H new ATOM 0 HG2 GLU A 49 80.442 14.371 0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 49 79.963 15.143 1.921 1.00 0.00 H new ATOM 731 N MET A 50 80.378 11.056 0.517 1.00 0.00 N ATOM 732 CA MET A 50 79.904 10.496 -0.742 1.00 0.00 C ATOM 733 C MET A 50 78.632 9.689 -0.498 1.00 0.00 C ATOM 734 O MET A 50 77.666 9.790 -1.254 1.00 0.00 O ATOM 735 CB MET A 50 80.992 9.608 -1.344 1.00 0.00 C ATOM 736 CG MET A 50 80.550 9.070 -2.707 1.00 0.00 C ATOM 737 SD MET A 50 81.866 8.022 -3.383 1.00 0.00 S ATOM 738 CE MET A 50 81.404 6.475 -2.561 1.00 0.00 C ATOM 0 H MET A 50 81.257 10.665 0.856 1.00 0.00 H new ATOM 0 HA MET A 50 79.678 11.301 -1.441 1.00 0.00 H new ATOM 0 HB2 MET A 50 81.915 10.177 -1.453 1.00 0.00 H new ATOM 0 HB3 MET A 50 81.206 8.778 -0.671 1.00 0.00 H new ATOM 0 HG2 MET A 50 79.628 8.498 -2.605 1.00 0.00 H new ATOM 0 HG3 MET A 50 80.339 9.895 -3.387 1.00 0.00 H new ATOM 0 HE1 MET A 50 82.305 5.930 -2.278 1.00 0.00 H new ATOM 0 HE2 MET A 50 80.819 6.698 -1.668 1.00 0.00 H new ATOM 0 HE3 MET A 50 80.810 5.865 -3.241 1.00 0.00 H new ATOM 748 N ASN A 51 78.631 8.904 0.583 1.00 0.00 N ATOM 749 CA ASN A 51 77.458 8.098 0.939 1.00 0.00 C ATOM 750 C ASN A 51 77.171 8.208 2.434 1.00 0.00 C ATOM 751 O ASN A 51 77.966 7.759 3.261 1.00 0.00 O ATOM 752 CB ASN A 51 77.686 6.627 0.578 1.00 0.00 C ATOM 753 CG ASN A 51 77.817 6.474 -0.932 1.00 0.00 C ATOM 754 OD1 ASN A 51 77.439 7.375 -1.681 1.00 0.00 O ATOM 755 ND2 ASN A 51 78.342 5.389 -1.429 1.00 0.00 N ATOM 0 H ASN A 51 79.421 8.809 1.222 1.00 0.00 H new ATOM 0 HA ASN A 51 76.605 8.478 0.377 1.00 0.00 H new ATOM 0 HB2 ASN A 51 78.587 6.259 1.068 1.00 0.00 H new ATOM 0 HB3 ASN A 51 76.856 6.022 0.942 1.00 0.00 H new ATOM 0 HD21 ASN A 51 78.440 5.286 -2.439 1.00 0.00 H new ATOM 0 HD22 ASN A 51 78.655 4.643 -0.808 1.00 0.00 H new ATOM 762 N ASP A 52 76.018 8.786 2.772 1.00 0.00 N ATOM 763 CA ASP A 52 75.610 8.932 4.171 1.00 0.00 C ATOM 764 C ASP A 52 74.415 8.037 4.446 1.00 0.00 C ATOM 765 O ASP A 52 73.583 7.812 3.567 1.00 0.00 O ATOM 766 CB ASP A 52 75.233 10.381 4.485 1.00 0.00 C ATOM 767 CG ASP A 52 74.222 10.889 3.473 1.00 0.00 C ATOM 768 OD1 ASP A 52 74.450 10.691 2.296 1.00 0.00 O ATOM 769 OD2 ASP A 52 73.235 11.470 3.891 1.00 0.00 O1- ATOM 0 H ASP A 52 75.350 9.160 2.098 1.00 0.00 H new ATOM 0 HA ASP A 52 76.450 8.645 4.804 1.00 0.00 H new ATOM 0 HB2 ASP A 52 74.817 10.447 5.490 1.00 0.00 H new ATOM 0 HB3 ASP A 52 76.124 11.009 4.467 1.00 0.00 H new ATOM 774 N ILE A 53 74.333 7.530 5.670 1.00 0.00 N ATOM 775 CA ILE A 53 73.234 6.655 6.065 1.00 0.00 C ATOM 776 C ILE A 53 72.388 7.375 7.112 1.00 0.00 C ATOM 777 O ILE A 53 72.911 7.855 8.117 1.00 0.00 O ATOM 778 CB ILE A 53 73.799 5.342 6.647 1.00 0.00 C ATOM 779 CG1 ILE A 53 75.057 4.901 5.869 1.00 0.00 C ATOM 780 CG2 ILE A 53 72.746 4.234 6.550 1.00 0.00 C ATOM 781 CD1 ILE A 53 74.713 4.564 4.413 1.00 0.00 C ATOM 0 H ILE A 53 75.015 7.709 6.407 1.00 0.00 H new ATOM 0 HA ILE A 53 72.617 6.414 5.199 1.00 0.00 H new ATOM 0 HB ILE A 53 74.062 5.517 7.690 1.00 0.00 H new ATOM 0 HG12 ILE A 53 75.803 5.696 5.896 1.00 0.00 H new ATOM 0 HG13 ILE A 53 75.501 4.031 6.352 1.00 0.00 H new ATOM 0 HG21 ILE A 53 73.151 3.310 6.962 1.00 0.00 H new ATOM 0 HG22 ILE A 53 71.859 4.525 7.113 1.00 0.00 H new ATOM 0 HG23 ILE A 53 72.477 4.078 5.505 1.00 0.00 H new ATOM 0 HD11 ILE A 53 75.617 4.256 3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 53 73.986 3.753 4.389 1.00 0.00 H new ATOM 0 HD13 ILE A 53 74.292 5.443 3.926 1.00 0.00 H new ATOM 793 N THR A 54 71.082 7.469 6.860 1.00 0.00 N ATOM 794 CA THR A 54 70.170 8.158 7.777 1.00 0.00 C ATOM 795 C THR A 54 68.981 7.264 8.139 1.00 0.00 C ATOM 796 O THR A 54 68.376 6.637 7.268 1.00 0.00 O ATOM 797 CB THR A 54 69.677 9.451 7.113 1.00 0.00 C ATOM 798 OG1 THR A 54 70.789 10.299 6.845 1.00 0.00 O ATOM 799 CG2 THR A 54 68.707 10.172 8.042 1.00 0.00 C ATOM 0 H THR A 54 70.632 7.079 6.032 1.00 0.00 H new ATOM 0 HA THR A 54 70.703 8.395 8.698 1.00 0.00 H new ATOM 0 HB THR A 54 69.169 9.204 6.181 1.00 0.00 H new ATOM 0 HG1 THR A 54 70.476 11.124 6.419 1.00 0.00 H new ATOM 0 HG21 THR A 54 68.360 11.089 7.565 1.00 0.00 H new ATOM 0 HG22 THR A 54 67.854 9.526 8.250 1.00 0.00 H new ATOM 0 HG23 THR A 54 69.212 10.417 8.976 1.00 0.00 H new ATOM 807 N VAL A 55 68.653 7.219 9.437 1.00 0.00 N ATOM 808 CA VAL A 55 67.529 6.412 9.936 1.00 0.00 C ATOM 809 C VAL A 55 66.420 7.337 10.418 1.00 0.00 C ATOM 810 O VAL A 55 66.685 8.317 11.114 1.00 0.00 O ATOM 811 CB VAL A 55 67.985 5.521 11.098 1.00 0.00 C ATOM 812 CG1 VAL A 55 68.585 6.388 12.205 1.00 0.00 C ATOM 813 CG2 VAL A 55 66.783 4.750 11.658 1.00 0.00 C ATOM 0 H VAL A 55 69.151 7.733 10.163 1.00 0.00 H new ATOM 0 HA VAL A 55 67.163 5.779 9.128 1.00 0.00 H new ATOM 0 HB VAL A 55 68.735 4.818 10.737 1.00 0.00 H new ATOM 0 HG11 VAL A 55 68.908 5.753 13.030 1.00 0.00 H new ATOM 0 HG12 VAL A 55 69.441 6.938 11.813 1.00 0.00 H new ATOM 0 HG13 VAL A 55 67.834 7.093 12.563 1.00 0.00 H new ATOM 0 HG21 VAL A 55 67.109 4.117 12.484 1.00 0.00 H new ATOM 0 HG22 VAL A 55 66.033 5.455 12.016 1.00 0.00 H new ATOM 0 HG23 VAL A 55 66.352 4.129 10.873 1.00 0.00 H new ATOM 823 N GLU A 56 65.180 7.040 10.026 1.00 0.00 N ATOM 824 CA GLU A 56 64.037 7.877 10.410 1.00 0.00 C ATOM 825 C GLU A 56 63.050 7.117 11.293 1.00 0.00 C ATOM 826 O GLU A 56 63.281 5.964 11.656 1.00 0.00 O ATOM 827 CB GLU A 56 63.323 8.359 9.151 1.00 0.00 C ATOM 828 CG GLU A 56 64.250 9.300 8.382 1.00 0.00 C ATOM 829 CD GLU A 56 63.589 9.730 7.078 1.00 0.00 C ATOM 830 OE1 GLU A 56 64.226 10.443 6.321 1.00 0.00 O ATOM 831 OE2 GLU A 56 62.455 9.341 6.858 1.00 0.00 O1- ATOM 0 H GLU A 56 64.940 6.234 9.448 1.00 0.00 H new ATOM 0 HA GLU A 56 64.415 8.724 10.983 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.047 7.509 8.526 1.00 0.00 H new ATOM 0 HB3 GLU A 56 62.399 8.874 9.416 1.00 0.00 H new ATOM 0 HG2 GLU A 56 64.479 10.176 8.990 1.00 0.00 H new ATOM 0 HG3 GLU A 56 65.196 8.801 8.173 1.00 0.00 H new ATOM 838 N GLN A 57 61.954 7.801 11.636 1.00 0.00 N ATOM 839 CA GLN A 57 60.894 7.249 12.488 1.00 0.00 C ATOM 840 C GLN A 57 60.835 5.730 12.445 1.00 0.00 C ATOM 841 O GLN A 57 61.054 5.118 11.404 1.00 0.00 O ATOM 842 CB GLN A 57 59.547 7.796 12.032 1.00 0.00 C ATOM 843 CG GLN A 57 59.508 9.296 12.270 1.00 0.00 C ATOM 844 CD GLN A 57 58.178 9.853 11.783 1.00 0.00 C ATOM 845 OE1 GLN A 57 57.125 9.292 12.079 1.00 0.00 O ATOM 846 NE2 GLN A 57 58.164 10.929 11.048 1.00 0.00 N ATOM 0 H GLN A 57 61.776 8.757 11.330 1.00 0.00 H new ATOM 0 HA GLN A 57 61.120 7.546 13.512 1.00 0.00 H new ATOM 0 HB2 GLN A 57 59.393 7.580 10.975 1.00 0.00 H new ATOM 0 HB3 GLN A 57 58.740 7.308 12.578 1.00 0.00 H new ATOM 0 HG2 GLN A 57 59.637 9.510 13.331 1.00 0.00 H new ATOM 0 HG3 GLN A 57 60.331 9.780 11.744 1.00 0.00 H new ATOM 0 HE21 GLN A 57 59.040 11.392 10.804 1.00 0.00 H new ATOM 0 HE22 GLN A 57 57.277 11.309 10.716 1.00 0.00 H new ATOM 855 N GLY A 58 60.519 5.131 13.585 1.00 0.00 N ATOM 856 CA GLY A 58 60.418 3.685 13.667 1.00 0.00 C ATOM 857 C GLY A 58 61.680 3.025 13.140 1.00 0.00 C ATOM 858 O GLY A 58 62.609 2.765 13.900 1.00 0.00 O ATOM 0 H GLY A 58 60.330 5.622 14.459 1.00 0.00 H new ATOM 0 HA2 GLY A 58 60.251 3.386 14.702 1.00 0.00 H new ATOM 0 HA3 GLY A 58 59.557 3.343 13.093 1.00 0.00 H new ATOM 862 N THR A 59 61.703 2.750 11.839 1.00 0.00 N ATOM 863 CA THR A 59 62.863 2.100 11.235 1.00 0.00 C ATOM 864 C THR A 59 62.898 2.311 9.722 1.00 0.00 C ATOM 865 O THR A 59 63.194 1.381 8.967 1.00 0.00 O ATOM 866 CB THR A 59 62.804 0.598 11.516 1.00 0.00 C ATOM 867 OG1 THR A 59 61.499 0.134 11.202 1.00 0.00 O ATOM 868 CG2 THR A 59 63.103 0.305 12.988 1.00 0.00 C ATOM 0 H THR A 59 60.945 2.963 11.191 1.00 0.00 H new ATOM 0 HA THR A 59 63.760 2.542 11.670 1.00 0.00 H new ATOM 0 HB THR A 59 63.553 0.091 10.907 1.00 0.00 H new ATOM 0 HG1 THR A 59 61.525 -0.832 11.040 1.00 0.00 H new ATOM 0 HG21 THR A 59 63.055 -0.770 13.162 1.00 0.00 H new ATOM 0 HG22 THR A 59 64.100 0.668 13.236 1.00 0.00 H new ATOM 0 HG23 THR A 59 62.367 0.808 13.616 1.00 0.00 H new ATOM 876 N LEU A 60 62.609 3.527 9.281 1.00 0.00 N ATOM 877 CA LEU A 60 62.629 3.835 7.857 1.00 0.00 C ATOM 878 C LEU A 60 64.047 4.212 7.442 1.00 0.00 C ATOM 879 O LEU A 60 64.581 5.238 7.863 1.00 0.00 O ATOM 880 CB LEU A 60 61.648 4.982 7.561 1.00 0.00 C ATOM 881 CG LEU A 60 60.238 4.412 7.358 1.00 0.00 C ATOM 882 CD1 LEU A 60 59.821 3.619 8.597 1.00 0.00 C ATOM 883 CD2 LEU A 60 59.245 5.553 7.131 1.00 0.00 C ATOM 0 H LEU A 60 62.360 4.312 9.883 1.00 0.00 H new ATOM 0 HA LEU A 60 62.318 2.961 7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 60 61.648 5.696 8.385 1.00 0.00 H new ATOM 0 HB3 LEU A 60 61.964 5.524 6.670 1.00 0.00 H new ATOM 0 HG LEU A 60 60.241 3.756 6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 60 58.819 3.215 8.450 1.00 0.00 H new ATOM 0 HD12 LEU A 60 60.522 2.800 8.758 1.00 0.00 H new ATOM 0 HD13 LEU A 60 59.824 4.275 9.467 1.00 0.00 H new ATOM 0 HD21 LEU A 60 58.246 5.142 6.987 1.00 0.00 H new ATOM 0 HD22 LEU A 60 59.245 6.213 7.998 1.00 0.00 H new ATOM 0 HD23 LEU A 60 59.536 6.118 6.245 1.00 0.00 H new ATOM 895 N HIS A 61 64.654 3.357 6.625 1.00 0.00 N ATOM 896 CA HIS A 61 66.021 3.580 6.161 1.00 0.00 C ATOM 897 C HIS A 61 66.035 4.455 4.913 1.00 0.00 C ATOM 898 O HIS A 61 65.080 4.461 4.136 1.00 0.00 O ATOM 899 CB HIS A 61 66.680 2.235 5.868 1.00 0.00 C ATOM 900 CG HIS A 61 66.794 1.446 7.146 1.00 0.00 C ATOM 901 ND1 HIS A 61 67.321 0.165 7.176 1.00 0.00 N ATOM 902 CD2 HIS A 61 66.458 1.742 8.447 1.00 0.00 C ATOM 903 CE1 HIS A 61 67.291 -0.259 8.453 1.00 0.00 C ATOM 904 NE2 HIS A 61 66.774 0.664 9.269 1.00 0.00 N ATOM 0 H HIS A 61 64.222 2.504 6.270 1.00 0.00 H new ATOM 0 HA HIS A 61 66.578 4.098 6.942 1.00 0.00 H new ATOM 0 HB2 HIS A 61 66.092 1.681 5.137 1.00 0.00 H new ATOM 0 HB3 HIS A 61 67.667 2.388 5.433 1.00 0.00 H new ATOM 0 HD2 HIS A 61 66.016 2.670 8.780 1.00 0.00 H new ATOM 0 HE1 HIS A 61 67.642 -1.227 8.778 1.00 0.00 H new ATOM 0 HE2 HIS A 61 66.640 0.594 10.278 1.00 0.00 H new ATOM 912 N LEU A 62 67.119 5.211 4.733 1.00 0.00 N ATOM 913 CA LEU A 62 67.233 6.103 3.580 1.00 0.00 C ATOM 914 C LEU A 62 68.685 6.273 3.145 1.00 0.00 C ATOM 915 O LEU A 62 69.451 6.994 3.783 1.00 0.00 O ATOM 916 CB LEU A 62 66.669 7.480 3.955 1.00 0.00 C ATOM 917 CG LEU A 62 66.493 8.355 2.695 1.00 0.00 C ATOM 918 CD1 LEU A 62 65.135 8.070 2.041 1.00 0.00 C ATOM 919 CD2 LEU A 62 66.558 9.840 3.082 1.00 0.00 C ATOM 0 H LEU A 62 67.921 5.224 5.363 1.00 0.00 H new ATOM 0 HA LEU A 62 66.674 5.663 2.754 1.00 0.00 H new ATOM 0 HB2 LEU A 62 65.710 7.361 4.459 1.00 0.00 H new ATOM 0 HB3 LEU A 62 67.339 7.975 4.658 1.00 0.00 H new ATOM 0 HG LEU A 62 67.292 8.120 1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 62 65.021 8.692 1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 62 65.081 7.019 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 62 64.336 8.296 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 62 66.433 10.454 2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 62 65.763 10.066 3.792 1.00 0.00 H new ATOM 0 HD23 LEU A 62 67.524 10.055 3.539 1.00 0.00 H new ATOM 931 N LEU A 63 69.047 5.642 2.032 1.00 0.00 N ATOM 932 CA LEU A 63 70.402 5.772 1.505 1.00 0.00 C ATOM 933 C LEU A 63 70.485 7.051 0.685 1.00 0.00 C ATOM 934 O LEU A 63 69.865 7.156 -0.371 1.00 0.00 O ATOM 935 CB LEU A 63 70.749 4.568 0.620 1.00 0.00 C ATOM 936 CG LEU A 63 71.093 3.317 1.458 1.00 0.00 C ATOM 937 CD1 LEU A 63 72.550 3.384 1.935 1.00 0.00 C ATOM 938 CD2 LEU A 63 70.152 3.181 2.667 1.00 0.00 C ATOM 0 H LEU A 63 68.430 5.043 1.483 1.00 0.00 H new ATOM 0 HA LEU A 63 71.111 5.809 2.332 1.00 0.00 H new ATOM 0 HB2 LEU A 63 69.908 4.345 -0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 63 71.594 4.820 -0.020 1.00 0.00 H new ATOM 0 HG LEU A 63 70.961 2.441 0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 63 72.781 2.497 2.525 1.00 0.00 H new ATOM 0 HD12 LEU A 63 73.214 3.429 1.072 1.00 0.00 H new ATOM 0 HD13 LEU A 63 72.692 4.274 2.548 1.00 0.00 H new ATOM 0 HD21 LEU A 63 70.419 2.291 3.237 1.00 0.00 H new ATOM 0 HD22 LEU A 63 70.247 4.062 3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 63 69.123 3.094 2.319 1.00 0.00 H new ATOM 950 N THR A 64 71.232 8.033 1.180 1.00 0.00 N ATOM 951 CA THR A 64 71.361 9.313 0.484 1.00 0.00 C ATOM 952 C THR A 64 72.692 9.404 -0.265 1.00 0.00 C ATOM 953 O THR A 64 73.715 9.780 0.302 1.00 0.00 O ATOM 954 CB THR A 64 71.249 10.441 1.515 1.00 0.00 C ATOM 955 OG1 THR A 64 69.956 10.406 2.104 1.00 0.00 O ATOM 956 CG2 THR A 64 71.464 11.797 0.844 1.00 0.00 C ATOM 0 H THR A 64 71.754 7.970 2.054 1.00 0.00 H new ATOM 0 HA THR A 64 70.566 9.402 -0.256 1.00 0.00 H new ATOM 0 HB THR A 64 72.013 10.302 2.280 1.00 0.00 H new ATOM 0 HG1 THR A 64 69.879 11.124 2.766 1.00 0.00 H new ATOM 0 HG21 THR A 64 71.381 12.589 1.589 1.00 0.00 H new ATOM 0 HG22 THR A 64 72.455 11.826 0.392 1.00 0.00 H new ATOM 0 HG23 THR A 64 70.709 11.945 0.072 1.00 0.00 H new ATOM 964 N LEU A 65 72.665 9.056 -1.553 1.00 0.00 N ATOM 965 CA LEU A 65 73.874 9.102 -2.392 1.00 0.00 C ATOM 966 C LEU A 65 73.942 10.418 -3.166 1.00 0.00 C ATOM 967 O LEU A 65 72.946 10.872 -3.724 1.00 0.00 O ATOM 968 CB LEU A 65 73.874 7.942 -3.400 1.00 0.00 C ATOM 969 CG LEU A 65 74.312 6.642 -2.721 1.00 0.00 C ATOM 970 CD1 LEU A 65 73.318 6.260 -1.622 1.00 0.00 C ATOM 971 CD2 LEU A 65 74.377 5.529 -3.771 1.00 0.00 C ATOM 0 H LEU A 65 71.826 8.740 -2.040 1.00 0.00 H new ATOM 0 HA LEU A 65 74.738 9.019 -1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 65 72.877 7.820 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 65 74.546 8.171 -4.227 1.00 0.00 H new ATOM 0 HG LEU A 65 75.294 6.782 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 65 73.640 5.334 -1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 65 73.276 7.055 -0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 65 72.329 6.119 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 65 74.688 4.599 -3.296 1.00 0.00 H new ATOM 0 HD22 LEU A 65 73.393 5.395 -4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 65 75.096 5.800 -4.544 1.00 0.00 H new ATOM 983 N HIS A 66 75.128 11.016 -3.204 1.00 0.00 N ATOM 984 CA HIS A 66 75.321 12.275 -3.920 1.00 0.00 C ATOM 985 C HIS A 66 75.251 12.050 -5.434 1.00 0.00 C ATOM 986 O HIS A 66 74.985 10.940 -5.895 1.00 0.00 O ATOM 987 CB HIS A 66 76.678 12.876 -3.540 1.00 0.00 C ATOM 988 CG HIS A 66 76.744 14.316 -3.974 1.00 0.00 C ATOM 989 ND1 HIS A 66 75.782 15.242 -3.601 1.00 0.00 N ATOM 990 CD2 HIS A 66 77.660 15.009 -4.725 1.00 0.00 C ATOM 991 CE1 HIS A 66 76.140 16.429 -4.120 1.00 0.00 C ATOM 992 NE2 HIS A 66 77.277 16.344 -4.815 1.00 0.00 N ATOM 0 H HIS A 66 75.967 10.653 -2.751 1.00 0.00 H new ATOM 0 HA HIS A 66 74.527 12.966 -3.639 1.00 0.00 H new ATOM 0 HB2 HIS A 66 76.827 12.805 -2.463 1.00 0.00 H new ATOM 0 HB3 HIS A 66 77.481 12.309 -4.011 1.00 0.00 H new ATOM 0 HD2 HIS A 66 78.544 14.583 -5.177 1.00 0.00 H new ATOM 0 HE1 HIS A 66 75.576 17.341 -3.991 1.00 0.00 H new ATOM 0 HE2 HIS A 66 77.761 17.096 -5.306 1.00 0.00 H new ATOM 1000 N LYS A 67 75.493 13.111 -6.201 1.00 0.00 N ATOM 1001 CA LYS A 67 75.456 13.018 -7.656 1.00 0.00 C ATOM 1002 C LYS A 67 76.542 12.072 -8.136 1.00 0.00 C ATOM 1003 O LYS A 67 77.714 12.437 -8.206 1.00 0.00 O ATOM 1004 CB LYS A 67 75.672 14.398 -8.274 1.00 0.00 C ATOM 1005 CG LYS A 67 74.489 15.302 -7.933 1.00 0.00 C ATOM 1006 CD LYS A 67 74.744 16.695 -8.512 1.00 0.00 C ATOM 1007 CE LYS A 67 73.591 17.631 -8.144 1.00 0.00 C ATOM 1008 NZ LYS A 67 73.937 19.023 -8.554 1.00 0.00 N1+ ATOM 0 H LYS A 67 75.715 14.039 -5.841 1.00 0.00 H new ATOM 0 HA LYS A 67 74.481 12.638 -7.962 1.00 0.00 H new ATOM 0 HB2 LYS A 67 76.597 14.835 -7.898 1.00 0.00 H new ATOM 0 HB3 LYS A 67 75.777 14.311 -9.355 1.00 0.00 H new ATOM 0 HG2 LYS A 67 73.568 14.887 -8.342 1.00 0.00 H new ATOM 0 HG3 LYS A 67 74.360 15.361 -6.852 1.00 0.00 H new ATOM 0 HD2 LYS A 67 75.683 17.092 -8.127 1.00 0.00 H new ATOM 0 HD3 LYS A 67 74.844 16.635 -9.596 1.00 0.00 H new ATOM 0 HE2 LYS A 67 72.675 17.311 -8.640 1.00 0.00 H new ATOM 0 HE3 LYS A 67 73.403 17.591 -7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 73.155 19.663 -8.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 74.802 19.325 -8.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 74.095 19.053 -9.581 1.00 0.00 H new ATOM 1022 N VAL A 68 76.141 10.846 -8.445 1.00 0.00 N ATOM 1023 CA VAL A 68 77.079 9.822 -8.897 1.00 0.00 C ATOM 1024 C VAL A 68 77.046 9.673 -10.414 1.00 0.00 C ATOM 1025 O VAL A 68 75.982 9.605 -11.027 1.00 0.00 O ATOM 1026 CB VAL A 68 76.724 8.481 -8.247 1.00 0.00 C ATOM 1027 CG1 VAL A 68 77.176 8.478 -6.790 1.00 0.00 C ATOM 1028 CG2 VAL A 68 75.210 8.278 -8.297 1.00 0.00 C ATOM 0 H VAL A 68 75.171 10.534 -8.391 1.00 0.00 H new ATOM 0 HA VAL A 68 78.084 10.127 -8.604 1.00 0.00 H new ATOM 0 HB VAL A 68 77.226 7.678 -8.787 1.00 0.00 H new ATOM 0 HG11 VAL A 68 76.921 7.522 -6.332 1.00 0.00 H new ATOM 0 HG12 VAL A 68 78.255 8.627 -6.743 1.00 0.00 H new ATOM 0 HG13 VAL A 68 76.675 9.283 -6.252 1.00 0.00 H new ATOM 0 HG21 VAL A 68 74.955 7.324 -7.835 1.00 0.00 H new ATOM 0 HG22 VAL A 68 74.717 9.086 -7.757 1.00 0.00 H new ATOM 0 HG23 VAL A 68 74.877 8.279 -9.335 1.00 0.00 H new ATOM 1038 N THR A 69 78.231 9.613 -11.001 1.00 0.00 N ATOM 1039 CA THR A 69 78.366 9.456 -12.441 1.00 0.00 C ATOM 1040 C THR A 69 78.155 7.998 -12.835 1.00 0.00 C ATOM 1041 O THR A 69 77.393 7.273 -12.192 1.00 0.00 O ATOM 1042 CB THR A 69 79.753 9.916 -12.890 1.00 0.00 C ATOM 1043 OG1 THR A 69 80.732 8.998 -12.420 1.00 0.00 O ATOM 1044 CG2 THR A 69 80.040 11.308 -12.323 1.00 0.00 C ATOM 0 H THR A 69 79.117 9.671 -10.500 1.00 0.00 H new ATOM 0 HA THR A 69 77.609 10.069 -12.931 1.00 0.00 H new ATOM 0 HB THR A 69 79.787 9.956 -13.979 1.00 0.00 H new ATOM 0 HG1 THR A 69 81.621 9.292 -12.709 1.00 0.00 H new ATOM 0 HG21 THR A 69 81.029 11.635 -12.644 1.00 0.00 H new ATOM 0 HG22 THR A 69 79.290 12.011 -12.686 1.00 0.00 H new ATOM 0 HG23 THR A 69 80.005 11.272 -11.234 1.00 0.00 H new ATOM 1052 N LEU A 70 78.837 7.576 -13.894 1.00 0.00 N ATOM 1053 CA LEU A 70 78.723 6.204 -14.371 1.00 0.00 C ATOM 1054 C LEU A 70 79.027 5.238 -13.229 1.00 0.00 C ATOM 1055 O LEU A 70 78.406 4.182 -13.116 1.00 0.00 O ATOM 1056 CB LEU A 70 79.731 5.958 -15.504 1.00 0.00 C ATOM 1057 CG LEU A 70 79.399 6.824 -16.731 1.00 0.00 C ATOM 1058 CD1 LEU A 70 80.552 6.729 -17.738 1.00 0.00 C ATOM 1059 CD2 LEU A 70 78.097 6.341 -17.396 1.00 0.00 C ATOM 0 H LEU A 70 79.472 8.162 -14.436 1.00 0.00 H new ATOM 0 HA LEU A 70 77.709 6.043 -14.738 1.00 0.00 H new ATOM 0 HB2 LEU A 70 80.739 6.185 -15.156 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.720 4.905 -15.784 1.00 0.00 H new ATOM 0 HG LEU A 70 79.265 7.857 -16.411 1.00 0.00 H new ATOM 0 HD11 LEU A 70 80.324 7.341 -18.611 1.00 0.00 H new ATOM 0 HD12 LEU A 70 81.471 7.087 -17.274 1.00 0.00 H new ATOM 0 HD13 LEU A 70 80.682 5.691 -18.046 1.00 0.00 H new ATOM 0 HD21 LEU A 70 77.878 6.965 -18.262 1.00 0.00 H new ATOM 0 HD22 LEU A 70 78.214 5.305 -17.715 1.00 0.00 H new ATOM 0 HD23 LEU A 70 77.276 6.410 -16.682 1.00 0.00 H new ATOM 1071 N GLU A 71 79.989 5.601 -12.386 1.00 0.00 N ATOM 1072 CA GLU A 71 80.359 4.748 -11.264 1.00 0.00 C ATOM 1073 C GLU A 71 79.112 4.327 -10.468 1.00 0.00 C ATOM 1074 O GLU A 71 79.197 3.477 -9.581 1.00 0.00 O ATOM 1075 CB GLU A 71 81.358 5.474 -10.341 1.00 0.00 C ATOM 1076 CG GLU A 71 82.639 5.795 -11.124 1.00 0.00 C ATOM 1077 CD GLU A 71 83.418 4.517 -11.426 1.00 0.00 C ATOM 1078 OE1 GLU A 71 83.043 3.478 -10.907 1.00 0.00 O ATOM 1079 OE2 GLU A 71 84.369 4.593 -12.187 1.00 0.00 O1- ATOM 0 H GLU A 71 80.520 6.469 -12.457 1.00 0.00 H new ATOM 0 HA GLU A 71 80.836 3.852 -11.660 1.00 0.00 H new ATOM 0 HB2 GLU A 71 80.914 6.393 -9.958 1.00 0.00 H new ATOM 0 HB3 GLU A 71 81.593 4.850 -9.479 1.00 0.00 H new ATOM 0 HG2 GLU A 71 82.385 6.301 -12.055 1.00 0.00 H new ATOM 0 HG3 GLU A 71 83.262 6.480 -10.548 1.00 0.00 H new ATOM 1086 N ASP A 72 77.953 4.918 -10.793 1.00 0.00 N ATOM 1087 CA ASP A 72 76.709 4.577 -10.094 1.00 0.00 C ATOM 1088 C ASP A 72 76.310 3.133 -10.371 1.00 0.00 C ATOM 1089 O ASP A 72 75.789 2.443 -9.494 1.00 0.00 O ATOM 1090 CB ASP A 72 75.572 5.516 -10.518 1.00 0.00 C ATOM 1091 CG ASP A 72 75.355 5.459 -12.027 1.00 0.00 C ATOM 1092 OD1 ASP A 72 74.315 5.919 -12.472 1.00 0.00 O ATOM 1093 OD2 ASP A 72 76.229 4.967 -12.714 1.00 0.00 O1- ATOM 0 H ASP A 72 77.852 5.623 -11.523 1.00 0.00 H new ATOM 0 HA ASP A 72 76.886 4.695 -9.025 1.00 0.00 H new ATOM 0 HB2 ASP A 72 74.653 5.236 -10.003 1.00 0.00 H new ATOM 0 HB3 ASP A 72 75.807 6.537 -10.218 1.00 0.00 H new ATOM 1098 N ALA A 73 76.567 2.671 -11.588 1.00 0.00 N ATOM 1099 CA ALA A 73 76.238 1.300 -11.949 1.00 0.00 C ATOM 1100 C ALA A 73 76.728 0.346 -10.864 1.00 0.00 C ATOM 1101 O ALA A 73 77.933 0.178 -10.675 1.00 0.00 O ATOM 1102 CB ALA A 73 76.900 0.952 -13.283 1.00 0.00 C ATOM 0 H ALA A 73 76.997 3.219 -12.333 1.00 0.00 H new ATOM 0 HA ALA A 73 75.157 1.202 -12.045 1.00 0.00 H new ATOM 0 HB1 ALA A 73 76.654 -0.075 -13.554 1.00 0.00 H new ATOM 0 HB2 ALA A 73 76.537 1.629 -14.057 1.00 0.00 H new ATOM 0 HB3 ALA A 73 77.981 1.054 -13.190 1.00 0.00 H new ATOM 1108 N GLY A 74 75.795 -0.269 -10.143 1.00 0.00 N ATOM 1109 CA GLY A 74 76.168 -1.191 -9.075 1.00 0.00 C ATOM 1110 C GLY A 74 74.947 -1.887 -8.491 1.00 0.00 C ATOM 1111 O GLY A 74 73.811 -1.490 -8.741 1.00 0.00 O ATOM 0 H GLY A 74 74.791 -0.149 -10.275 1.00 0.00 H new ATOM 0 HA2 GLY A 74 76.863 -1.936 -9.462 1.00 0.00 H new ATOM 0 HA3 GLY A 74 76.690 -0.647 -8.288 1.00 0.00 H new ATOM 1115 N THR A 75 75.198 -2.940 -7.714 1.00 0.00 N ATOM 1116 CA THR A 75 74.122 -3.713 -7.089 1.00 0.00 C ATOM 1117 C THR A 75 74.241 -3.660 -5.571 1.00 0.00 C ATOM 1118 O THR A 75 75.288 -3.997 -5.022 1.00 0.00 O ATOM 1119 CB THR A 75 74.224 -5.179 -7.523 1.00 0.00 C ATOM 1120 OG1 THR A 75 74.414 -5.246 -8.930 1.00 0.00 O ATOM 1121 CG2 THR A 75 72.936 -5.919 -7.154 1.00 0.00 C ATOM 0 H THR A 75 76.136 -3.278 -7.501 1.00 0.00 H new ATOM 0 HA THR A 75 73.169 -3.285 -7.400 1.00 0.00 H new ATOM 0 HB THR A 75 75.069 -5.644 -7.015 1.00 0.00 H new ATOM 0 HG1 THR A 75 74.481 -6.184 -9.207 1.00 0.00 H new ATOM 0 HG21 THR A 75 73.013 -6.961 -7.465 1.00 0.00 H new ATOM 0 HG22 THR A 75 72.786 -5.872 -6.075 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.091 -5.452 -7.659 1.00 0.00 H new ATOM 1129 N VAL A 76 73.164 -3.265 -4.890 1.00 0.00 N ATOM 1130 CA VAL A 76 73.176 -3.209 -3.424 1.00 0.00 C ATOM 1131 C VAL A 76 72.402 -4.401 -2.864 1.00 0.00 C ATOM 1132 O VAL A 76 71.283 -4.681 -3.293 1.00 0.00 O ATOM 1133 CB VAL A 76 72.553 -1.896 -2.918 1.00 0.00 C ATOM 1134 CG1 VAL A 76 73.031 -1.624 -1.488 1.00 0.00 C ATOM 1135 CG2 VAL A 76 72.967 -0.734 -3.833 1.00 0.00 C ATOM 0 H VAL A 76 72.284 -2.983 -5.321 1.00 0.00 H new ATOM 0 HA VAL A 76 74.210 -3.248 -3.082 1.00 0.00 H new ATOM 0 HB VAL A 76 71.467 -1.985 -2.928 1.00 0.00 H new ATOM 0 HG11 VAL A 76 72.591 -0.694 -1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 76 72.725 -2.445 -0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 76 74.118 -1.539 -1.478 1.00 0.00 H new ATOM 0 HG21 VAL A 76 72.522 0.192 -3.469 1.00 0.00 H new ATOM 0 HG22 VAL A 76 74.053 -0.640 -3.833 1.00 0.00 H new ATOM 0 HG23 VAL A 76 72.620 -0.929 -4.848 1.00 0.00 H new ATOM 1145 N SER A 77 73.011 -5.107 -1.907 1.00 0.00 N ATOM 1146 CA SER A 77 72.378 -6.279 -1.292 1.00 0.00 C ATOM 1147 C SER A 77 72.255 -6.088 0.212 1.00 0.00 C ATOM 1148 O SER A 77 72.947 -5.260 0.809 1.00 0.00 O ATOM 1149 CB SER A 77 73.207 -7.538 -1.565 1.00 0.00 C ATOM 1150 OG SER A 77 74.484 -7.405 -0.952 1.00 0.00 O ATOM 0 H SER A 77 73.938 -4.889 -1.542 1.00 0.00 H new ATOM 0 HA SER A 77 71.385 -6.393 -1.728 1.00 0.00 H new ATOM 0 HB2 SER A 77 72.694 -8.417 -1.174 1.00 0.00 H new ATOM 0 HB3 SER A 77 73.321 -7.686 -2.639 1.00 0.00 H new ATOM 0 HG SER A 77 75.015 -8.210 -1.124 1.00 0.00 H new ATOM 1156 N PHE A 78 71.362 -6.863 0.817 1.00 0.00 N ATOM 1157 CA PHE A 78 71.132 -6.790 2.255 1.00 0.00 C ATOM 1158 C PHE A 78 71.056 -8.200 2.821 1.00 0.00 C ATOM 1159 O PHE A 78 70.450 -9.084 2.213 1.00 0.00 O ATOM 1160 CB PHE A 78 69.819 -6.057 2.524 1.00 0.00 C ATOM 1161 CG PHE A 78 69.721 -4.857 1.610 1.00 0.00 C ATOM 1162 CD1 PHE A 78 68.641 -4.741 0.724 1.00 0.00 C ATOM 1163 CD2 PHE A 78 70.712 -3.865 1.631 1.00 0.00 C ATOM 1164 CE1 PHE A 78 68.548 -3.640 -0.128 1.00 0.00 C ATOM 1165 CE2 PHE A 78 70.615 -2.762 0.775 1.00 0.00 C ATOM 1166 CZ PHE A 78 69.532 -2.650 -0.105 1.00 0.00 C ATOM 0 H PHE A 78 70.784 -7.550 0.333 1.00 0.00 H new ATOM 0 HA PHE A 78 71.950 -6.249 2.732 1.00 0.00 H new ATOM 0 HB2 PHE A 78 68.975 -6.726 2.357 1.00 0.00 H new ATOM 0 HB3 PHE A 78 69.773 -5.740 3.566 1.00 0.00 H new ATOM 0 HD1 PHE A 78 67.879 -5.506 0.701 1.00 0.00 H new ATOM 0 HD2 PHE A 78 71.550 -3.952 2.307 1.00 0.00 H new ATOM 0 HE1 PHE A 78 67.713 -3.553 -0.807 1.00 0.00 H new ATOM 0 HE2 PHE A 78 71.377 -1.996 0.793 1.00 0.00 H new ATOM 0 HZ PHE A 78 69.458 -1.799 -0.765 1.00 0.00 H new ATOM 1176 N HIS A 79 71.675 -8.410 3.980 1.00 0.00 N ATOM 1177 CA HIS A 79 71.680 -9.730 4.613 1.00 0.00 C ATOM 1178 C HIS A 79 71.214 -9.649 6.061 1.00 0.00 C ATOM 1179 O HIS A 79 71.736 -8.869 6.855 1.00 0.00 O ATOM 1180 CB HIS A 79 73.092 -10.313 4.560 1.00 0.00 C ATOM 1181 CG HIS A 79 73.076 -11.725 5.079 1.00 0.00 C ATOM 1182 ND1 HIS A 79 72.271 -12.706 4.524 1.00 0.00 N ATOM 1183 CD2 HIS A 79 73.767 -12.336 6.096 1.00 0.00 C ATOM 1184 CE1 HIS A 79 72.494 -13.846 5.206 1.00 0.00 C ATOM 1185 NE2 HIS A 79 73.399 -13.675 6.174 1.00 0.00 N ATOM 0 H HIS A 79 72.177 -7.689 4.499 1.00 0.00 H new ATOM 0 HA HIS A 79 70.989 -10.375 4.069 1.00 0.00 H new ATOM 0 HB2 HIS A 79 73.465 -10.296 3.536 1.00 0.00 H new ATOM 0 HB3 HIS A 79 73.770 -9.703 5.157 1.00 0.00 H new ATOM 0 HD2 HIS A 79 74.487 -11.851 6.738 1.00 0.00 H new ATOM 0 HE1 HIS A 79 72.001 -14.784 4.996 1.00 0.00 H new ATOM 0 HE2 HIS A 79 73.745 -14.376 6.829 1.00 0.00 H new ATOM 1193 N VAL A 80 70.230 -10.479 6.392 1.00 0.00 N ATOM 1194 CA VAL A 80 69.688 -10.531 7.746 1.00 0.00 C ATOM 1195 C VAL A 80 69.214 -11.952 8.047 1.00 0.00 C ATOM 1196 O VAL A 80 68.304 -12.458 7.393 1.00 0.00 O ATOM 1197 CB VAL A 80 68.533 -9.528 7.901 1.00 0.00 C ATOM 1198 CG1 VAL A 80 67.531 -9.685 6.756 1.00 0.00 C ATOM 1199 CG2 VAL A 80 67.817 -9.766 9.237 1.00 0.00 C ATOM 0 H VAL A 80 69.790 -11.127 5.739 1.00 0.00 H new ATOM 0 HA VAL A 80 70.467 -10.258 8.457 1.00 0.00 H new ATOM 0 HB VAL A 80 68.944 -8.519 7.877 1.00 0.00 H new ATOM 0 HG11 VAL A 80 66.720 -8.968 6.881 1.00 0.00 H new ATOM 0 HG12 VAL A 80 68.033 -9.503 5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 80 67.125 -10.697 6.764 1.00 0.00 H new ATOM 0 HG21 VAL A 80 66.999 -9.053 9.343 1.00 0.00 H new ATOM 0 HG22 VAL A 80 67.420 -10.781 9.261 1.00 0.00 H new ATOM 0 HG23 VAL A 80 68.523 -9.633 10.057 1.00 0.00 H new ATOM 1209 N GLY A 81 69.859 -12.578 9.037 1.00 0.00 N ATOM 1210 CA GLY A 81 69.555 -13.954 9.465 1.00 0.00 C ATOM 1211 C GLY A 81 68.338 -14.564 8.769 1.00 0.00 C ATOM 1212 O GLY A 81 68.463 -15.521 8.003 1.00 0.00 O ATOM 0 H GLY A 81 70.613 -12.144 9.570 1.00 0.00 H new ATOM 0 HA2 GLY A 81 70.424 -14.584 9.274 1.00 0.00 H new ATOM 0 HA3 GLY A 81 69.387 -13.960 10.542 1.00 0.00 H new ATOM 1216 N THR A 82 67.167 -14.016 9.062 1.00 0.00 N ATOM 1217 CA THR A 82 65.921 -14.519 8.487 1.00 0.00 C ATOM 1218 C THR A 82 66.024 -14.700 6.970 1.00 0.00 C ATOM 1219 O THR A 82 66.332 -15.789 6.487 1.00 0.00 O ATOM 1220 CB THR A 82 64.779 -13.552 8.816 1.00 0.00 C ATOM 1221 OG1 THR A 82 65.035 -12.291 8.213 1.00 0.00 O ATOM 1222 CG2 THR A 82 64.668 -13.381 10.334 1.00 0.00 C ATOM 0 H THR A 82 67.051 -13.224 9.694 1.00 0.00 H new ATOM 0 HA THR A 82 65.722 -15.498 8.924 1.00 0.00 H new ATOM 0 HB THR A 82 63.843 -13.956 8.430 1.00 0.00 H new ATOM 0 HG1 THR A 82 64.303 -11.674 8.423 1.00 0.00 H new ATOM 0 HG21 THR A 82 63.855 -12.693 10.564 1.00 0.00 H new ATOM 0 HG22 THR A 82 64.466 -14.348 10.795 1.00 0.00 H new ATOM 0 HG23 THR A 82 65.604 -12.981 10.724 1.00 0.00 H new ATOM 1230 N CYS A 83 65.752 -13.625 6.224 1.00 0.00 N ATOM 1231 CA CYS A 83 65.802 -13.665 4.755 1.00 0.00 C ATOM 1232 C CYS A 83 66.725 -12.576 4.226 1.00 0.00 C ATOM 1233 O CYS A 83 67.457 -11.948 4.989 1.00 0.00 O ATOM 1234 CB CYS A 83 64.401 -13.451 4.173 1.00 0.00 C ATOM 1235 SG CYS A 83 63.340 -14.852 4.604 1.00 0.00 S ATOM 0 H CYS A 83 65.495 -12.717 6.610 1.00 0.00 H new ATOM 0 HA CYS A 83 66.181 -14.642 4.454 1.00 0.00 H new ATOM 0 HB2 CYS A 83 63.973 -12.526 4.560 1.00 0.00 H new ATOM 0 HB3 CYS A 83 64.459 -13.346 3.090 1.00 0.00 H new ATOM 0 HG CYS A 83 62.152 -14.665 4.110 1.00 0.00 H new ATOM 1241 N SER A 84 66.680 -12.352 2.914 1.00 0.00 N ATOM 1242 CA SER A 84 67.515 -11.329 2.293 1.00 0.00 C ATOM 1243 C SER A 84 66.873 -10.816 1.006 1.00 0.00 C ATOM 1244 O SER A 84 65.897 -11.387 0.517 1.00 0.00 O ATOM 1245 CB SER A 84 68.903 -11.891 1.995 1.00 0.00 C ATOM 1246 OG SER A 84 68.776 -13.070 1.210 1.00 0.00 O ATOM 0 H SER A 84 66.079 -12.861 2.266 1.00 0.00 H new ATOM 0 HA SER A 84 67.610 -10.496 2.989 1.00 0.00 H new ATOM 0 HB2 SER A 84 69.501 -11.150 1.465 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.424 -12.115 2.926 1.00 0.00 H new ATOM 0 HG SER A 84 69.666 -13.431 1.016 1.00 0.00 H new ATOM 1252 N SER A 85 67.417 -9.724 0.473 1.00 0.00 N ATOM 1253 CA SER A 85 66.882 -9.124 -0.751 1.00 0.00 C ATOM 1254 C SER A 85 67.978 -8.388 -1.515 1.00 0.00 C ATOM 1255 O SER A 85 69.084 -8.205 -1.005 1.00 0.00 O ATOM 1256 CB SER A 85 65.764 -8.144 -0.395 1.00 0.00 C ATOM 1257 OG SER A 85 65.220 -7.592 -1.586 1.00 0.00 O ATOM 0 H SER A 85 68.223 -9.238 0.865 1.00 0.00 H new ATOM 0 HA SER A 85 66.489 -9.920 -1.384 1.00 0.00 H new ATOM 0 HB2 SER A 85 64.985 -8.655 0.171 1.00 0.00 H new ATOM 0 HB3 SER A 85 66.152 -7.349 0.243 1.00 0.00 H new ATOM 0 HG SER A 85 64.502 -6.965 -1.358 1.00 0.00 H new ATOM 1263 N GLU A 86 67.668 -7.976 -2.744 1.00 0.00 N ATOM 1264 CA GLU A 86 68.642 -7.271 -3.575 1.00 0.00 C ATOM 1265 C GLU A 86 67.951 -6.300 -4.533 1.00 0.00 C ATOM 1266 O GLU A 86 66.745 -6.390 -4.766 1.00 0.00 O ATOM 1267 CB GLU A 86 69.455 -8.292 -4.371 1.00 0.00 C ATOM 1268 CG GLU A 86 68.541 -9.011 -5.370 1.00 0.00 C ATOM 1269 CD GLU A 86 69.322 -10.090 -6.107 1.00 0.00 C ATOM 1270 OE1 GLU A 86 70.507 -9.892 -6.319 1.00 0.00 O ATOM 1271 OE2 GLU A 86 68.722 -11.090 -6.459 1.00 0.00 O1- ATOM 0 H GLU A 86 66.758 -8.117 -3.183 1.00 0.00 H new ATOM 0 HA GLU A 86 69.300 -6.693 -2.926 1.00 0.00 H new ATOM 0 HB2 GLU A 86 70.267 -7.793 -4.900 1.00 0.00 H new ATOM 0 HB3 GLU A 86 69.912 -9.015 -3.695 1.00 0.00 H new ATOM 0 HG2 GLU A 86 67.695 -9.456 -4.846 1.00 0.00 H new ATOM 0 HG3 GLU A 86 68.133 -8.295 -6.083 1.00 0.00 H new ATOM 1278 N ALA A 87 68.735 -5.379 -5.096 1.00 0.00 N ATOM 1279 CA ALA A 87 68.210 -4.390 -6.038 1.00 0.00 C ATOM 1280 C ALA A 87 69.269 -4.049 -7.087 1.00 0.00 C ATOM 1281 O ALA A 87 70.467 -4.152 -6.825 1.00 0.00 O ATOM 1282 CB ALA A 87 67.799 -3.127 -5.277 1.00 0.00 C ATOM 0 H ALA A 87 69.736 -5.298 -4.916 1.00 0.00 H new ATOM 0 HA ALA A 87 67.338 -4.804 -6.544 1.00 0.00 H new ATOM 0 HB1 ALA A 87 67.408 -2.390 -5.979 1.00 0.00 H new ATOM 0 HB2 ALA A 87 67.029 -3.377 -4.547 1.00 0.00 H new ATOM 0 HB3 ALA A 87 68.667 -2.713 -4.763 1.00 0.00 H new ATOM 1288 N GLN A 88 68.820 -3.653 -8.285 1.00 0.00 N ATOM 1289 CA GLN A 88 69.737 -3.313 -9.379 1.00 0.00 C ATOM 1290 C GLN A 88 69.552 -1.866 -9.819 1.00 0.00 C ATOM 1291 O GLN A 88 68.435 -1.418 -10.090 1.00 0.00 O ATOM 1292 CB GLN A 88 69.482 -4.234 -10.576 1.00 0.00 C ATOM 1293 CG GLN A 88 70.492 -3.929 -11.687 1.00 0.00 C ATOM 1294 CD GLN A 88 70.350 -4.942 -12.817 1.00 0.00 C ATOM 1295 OE1 GLN A 88 69.781 -6.018 -12.624 1.00 0.00 O ATOM 1296 NE2 GLN A 88 70.840 -4.664 -13.996 1.00 0.00 N ATOM 0 H GLN A 88 67.832 -3.561 -8.520 1.00 0.00 H new ATOM 0 HA GLN A 88 70.757 -3.443 -9.016 1.00 0.00 H new ATOM 0 HB2 GLN A 88 69.568 -5.277 -10.270 1.00 0.00 H new ATOM 0 HB3 GLN A 88 68.466 -4.093 -10.946 1.00 0.00 H new ATOM 0 HG2 GLN A 88 70.330 -2.921 -12.069 1.00 0.00 H new ATOM 0 HG3 GLN A 88 71.505 -3.959 -11.286 1.00 0.00 H new ATOM 0 HE21 GLN A 88 71.311 -3.773 -14.156 1.00 0.00 H new ATOM 0 HE22 GLN A 88 70.752 -5.338 -14.757 1.00 0.00 H new ATOM 1305 N LEU A 89 70.669 -1.147 -9.901 1.00 0.00 N ATOM 1306 CA LEU A 89 70.665 0.251 -10.327 1.00 0.00 C ATOM 1307 C LEU A 89 71.469 0.398 -11.610 1.00 0.00 C ATOM 1308 O LEU A 89 72.651 0.057 -11.653 1.00 0.00 O ATOM 1309 CB LEU A 89 71.274 1.137 -9.222 1.00 0.00 C ATOM 1310 CG LEU A 89 71.203 2.642 -9.623 1.00 0.00 C ATOM 1311 CD1 LEU A 89 70.899 3.514 -8.387 1.00 0.00 C ATOM 1312 CD2 LEU A 89 72.547 3.097 -10.230 1.00 0.00 C ATOM 0 H LEU A 89 71.594 -1.512 -9.676 1.00 0.00 H new ATOM 0 HA LEU A 89 69.638 0.567 -10.510 1.00 0.00 H new ATOM 0 HB2 LEU A 89 70.739 0.979 -8.286 1.00 0.00 H new ATOM 0 HB3 LEU A 89 72.311 0.850 -9.049 1.00 0.00 H new ATOM 0 HG LEU A 89 70.407 2.758 -10.359 1.00 0.00 H new ATOM 0 HD11 LEU A 89 70.853 4.562 -8.683 1.00 0.00 H new ATOM 0 HD12 LEU A 89 69.943 3.216 -7.958 1.00 0.00 H new ATOM 0 HD13 LEU A 89 71.687 3.381 -7.645 1.00 0.00 H new ATOM 0 HD21 LEU A 89 72.484 4.150 -10.506 1.00 0.00 H new ATOM 0 HD22 LEU A 89 73.342 2.961 -9.497 1.00 0.00 H new ATOM 0 HD23 LEU A 89 72.766 2.502 -11.117 1.00 0.00 H new ATOM 1324 N LYS A 90 70.826 0.921 -12.653 1.00 0.00 N ATOM 1325 CA LYS A 90 71.488 1.132 -13.943 1.00 0.00 C ATOM 1326 C LYS A 90 71.451 2.607 -14.312 1.00 0.00 C ATOM 1327 O LYS A 90 70.628 3.364 -13.795 1.00 0.00 O ATOM 1328 CB LYS A 90 70.798 0.321 -15.036 1.00 0.00 C ATOM 1329 CG LYS A 90 71.061 -1.169 -14.810 1.00 0.00 C ATOM 1330 CD LYS A 90 70.470 -1.983 -15.965 1.00 0.00 C ATOM 1331 CE LYS A 90 68.941 -1.895 -15.939 1.00 0.00 C ATOM 1332 NZ LYS A 90 68.368 -2.986 -16.772 1.00 0.00 N1+ ATOM 0 H LYS A 90 69.847 1.207 -12.632 1.00 0.00 H new ATOM 0 HA LYS A 90 72.524 0.804 -13.855 1.00 0.00 H new ATOM 0 HB2 LYS A 90 69.726 0.517 -15.027 1.00 0.00 H new ATOM 0 HB3 LYS A 90 71.169 0.622 -16.016 1.00 0.00 H new ATOM 0 HG2 LYS A 90 72.133 -1.351 -14.736 1.00 0.00 H new ATOM 0 HG3 LYS A 90 70.618 -1.486 -13.866 1.00 0.00 H new ATOM 0 HD2 LYS A 90 70.848 -1.608 -16.916 1.00 0.00 H new ATOM 0 HD3 LYS A 90 70.784 -3.024 -15.885 1.00 0.00 H new ATOM 0 HE2 LYS A 90 68.579 -1.977 -14.914 1.00 0.00 H new ATOM 0 HE3 LYS A 90 68.615 -0.926 -16.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 67.330 -2.927 -16.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 68.704 -2.888 -17.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 68.669 -3.907 -16.393 1.00 0.00 H new ATOM 1346 N VAL A 91 72.348 3.016 -15.208 1.00 0.00 N ATOM 1347 CA VAL A 91 72.410 4.412 -15.645 1.00 0.00 C ATOM 1348 C VAL A 91 71.929 4.533 -17.087 1.00 0.00 C ATOM 1349 O VAL A 91 72.411 3.830 -17.975 1.00 0.00 O ATOM 1350 CB VAL A 91 73.853 4.930 -15.534 1.00 0.00 C ATOM 1351 CG1 VAL A 91 74.737 4.262 -16.590 1.00 0.00 C ATOM 1352 CG2 VAL A 91 73.875 6.446 -15.748 1.00 0.00 C ATOM 0 H VAL A 91 73.039 2.405 -15.644 1.00 0.00 H new ATOM 0 HA VAL A 91 71.763 5.011 -15.004 1.00 0.00 H new ATOM 0 HB VAL A 91 74.235 4.692 -14.541 1.00 0.00 H new ATOM 0 HG11 VAL A 91 75.757 4.637 -16.501 1.00 0.00 H new ATOM 0 HG12 VAL A 91 74.733 3.183 -16.438 1.00 0.00 H new ATOM 0 HG13 VAL A 91 74.352 4.490 -17.584 1.00 0.00 H new ATOM 0 HG21 VAL A 91 74.899 6.810 -15.669 1.00 0.00 H new ATOM 0 HG22 VAL A 91 73.483 6.679 -16.738 1.00 0.00 H new ATOM 0 HG23 VAL A 91 73.259 6.929 -14.990 1.00 0.00 H new ATOM 1362 N THR A 92 70.970 5.419 -17.315 1.00 0.00 N ATOM 1363 CA THR A 92 70.434 5.605 -18.658 1.00 0.00 C ATOM 1364 C THR A 92 71.505 6.184 -19.589 1.00 0.00 C ATOM 1365 O THR A 92 72.170 7.163 -19.250 1.00 0.00 O ATOM 1366 CB THR A 92 69.221 6.536 -18.607 1.00 0.00 C ATOM 1367 OG1 THR A 92 68.163 5.879 -17.923 1.00 0.00 O ATOM 1368 CG2 THR A 92 68.767 6.877 -20.027 1.00 0.00 C ATOM 0 H THR A 92 70.551 6.013 -16.600 1.00 0.00 H new ATOM 0 HA THR A 92 70.125 4.636 -19.050 1.00 0.00 H new ATOM 0 HB THR A 92 69.490 7.455 -18.086 1.00 0.00 H new ATOM 0 HG1 THR A 92 67.382 6.470 -17.884 1.00 0.00 H new ATOM 0 HG21 THR A 92 67.903 7.540 -19.983 1.00 0.00 H new ATOM 0 HG22 THR A 92 69.579 7.373 -20.559 1.00 0.00 H new ATOM 0 HG23 THR A 92 68.495 5.961 -20.552 1.00 0.00 H new ATOM 1376 N ALA A 93 71.661 5.568 -20.767 1.00 0.00 N ATOM 1377 CA ALA A 93 72.650 6.025 -21.755 1.00 0.00 C ATOM 1378 C ALA A 93 71.973 6.858 -22.843 1.00 0.00 C ATOM 1379 O ALA A 93 72.642 7.448 -23.694 1.00 0.00 O ATOM 1380 CB ALA A 93 73.357 4.824 -22.400 1.00 0.00 C ATOM 0 H ALA A 93 71.119 4.755 -21.060 1.00 0.00 H new ATOM 0 HA ALA A 93 73.386 6.641 -21.238 1.00 0.00 H new ATOM 0 HB1 ALA A 93 74.086 5.179 -23.129 1.00 0.00 H new ATOM 0 HB2 ALA A 93 73.867 4.245 -21.630 1.00 0.00 H new ATOM 0 HB3 ALA A 93 72.621 4.194 -22.900 1.00 0.00 H new ATOM 1386 N GLY A 94 70.642 6.896 -22.812 1.00 0.00 N ATOM 1387 CA GLY A 94 69.875 7.653 -23.799 1.00 0.00 C ATOM 1388 C GLY A 94 68.376 7.462 -23.586 1.00 0.00 C ATOM 1389 O GLY A 94 67.889 6.384 -23.885 1.00 0.00 O ATOM 0 H GLY A 94 70.074 6.413 -22.116 1.00 0.00 H new ATOM 0 HA2 GLY A 94 70.125 8.711 -23.726 1.00 0.00 H new ATOM 0 HA3 GLY A 94 70.148 7.330 -24.804 1.00 0.00 H new TER 1393 GLY A 94