USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 778 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 48 MET CE :methyl -161:sc= -0.0685 (180deg=-0.276) USER MOD Set 1.2: A 51 GLN : amide:sc= -0.663 K(o=-0.73,f=-2.7) USER MOD Set 2.1: A 5 ASN : amide:sc= -0.0112 K(o=-0.046,f=-1.9) USER MOD Set 2.2: A 46 LYS NZ :NH3+ -127:sc= -0.0352 (180deg=-0.947) USER MOD Set 3.1: A 1 MET N :NH3+ -142:sc=-7.79e-05 (180deg=-1.21) USER MOD Set 3.2: A 62 THR OG1 : rot 180:sc= 0.0214 USER MOD Single : A 1 MET CE :methyl 155:sc= -0.0338 (180deg=-0.351) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 171:sc= -0.0125 (180deg=-0.0995) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-2.9!) USER MOD Single : A 14 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0606) USER MOD Single : A 17 SER OG : rot 77:sc= 0.0185 USER MOD Single : A 24 ASN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 25 LYS NZ :NH3+ 179:sc= 0.886 (180deg=0.871) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= -0.226 K(o=-0.23,f=-5.8!) USER MOD Single : A 49 ASN : amide:sc= 0.828 K(o=0.83,f=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 167:sc= 1.01 (180deg=0.83) USER MOD Single : A 57 TYR OH : rot -162:sc= 0.42 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -173:sc= -0.171 (180deg=-0.244) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.0443 X(o=-0.044,f=-0.044) USER MOD Single : A 78 GLN : amide:sc= 0.422 K(o=0.42,f=-1.1) USER MOD Single : A 80 HIS : no HE2:sc= 0.612 K(o=0.61,f=-3.2!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0.593 K(o=0.59,f=0) USER MOD Single : A 88 HIS : no HE2:sc= 0.685 K(o=0.68,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.387 -1.245 8.591 1.00 -0.46 N ATOM 2 CA MET A 1 -14.216 -2.199 9.673 1.00 0.04 C ATOM 3 C MET A 1 -12.757 -2.650 9.751 1.00 0.62 C ATOM 4 O MET A 1 -12.109 -2.477 10.782 1.00 -0.50 O ATOM 5 CB MET A 1 -15.147 -3.405 9.479 1.00 -0.15 C ATOM 6 CG MET A 1 -16.644 -3.076 9.398 1.00 -0.05 C ATOM 7 SD MET A 1 -17.421 -2.280 10.834 1.00 0.74 S ATOM 8 CE MET A 1 -17.178 -0.517 10.490 1.00 -0.13 C ATOM 0 H1 MET A 1 -15.060 -0.507 8.882 1.00 -0.46 H new ATOM 0 H2 MET A 1 -13.471 -0.808 8.365 1.00 -0.46 H new ATOM 0 H3 MET A 1 -14.753 -1.736 7.750 1.00 -0.46 H new ATOM 0 HA MET A 1 -14.480 -1.714 10.613 1.00 0.04 H new ATOM 0 HB2 MET A 1 -14.856 -3.923 8.565 1.00 -0.15 H new ATOM 0 HB3 MET A 1 -14.989 -4.100 10.304 1.00 -0.15 H new ATOM 0 HG2 MET A 1 -16.797 -2.429 8.534 1.00 -0.05 H new ATOM 0 HG3 MET A 1 -17.180 -4.004 9.200 1.00 -0.05 H new ATOM 0 HE1 MET A 1 -17.945 0.063 11.004 1.00 -0.13 H new ATOM 0 HE2 MET A 1 -16.193 -0.210 10.843 1.00 -0.13 H new ATOM 0 HE3 MET A 1 -17.250 -0.343 9.416 1.00 -0.13 H new ATOM 18 N PHE A 2 -12.252 -3.239 8.660 1.00 -0.46 N ATOM 19 CA PHE A 2 -10.908 -3.796 8.583 1.00 0.04 C ATOM 20 C PHE A 2 -9.870 -2.702 8.829 1.00 0.62 C ATOM 21 O PHE A 2 -10.027 -1.592 8.329 1.00 -0.50 O ATOM 22 CB PHE A 2 -10.701 -4.447 7.212 1.00 -0.10 C ATOM 23 CG PHE A 2 -11.757 -5.470 6.841 1.00 -0.10 C ATOM 24 CD1 PHE A 2 -11.775 -6.727 7.475 1.00 -0.15 C ATOM 25 CD2 PHE A 2 -12.767 -5.140 5.920 1.00 -0.15 C ATOM 26 CE1 PHE A 2 -12.794 -7.649 7.178 1.00 -0.15 C ATOM 27 CE2 PHE A 2 -13.783 -6.063 5.618 1.00 -0.15 C ATOM 28 CZ PHE A 2 -13.800 -7.316 6.254 1.00 -0.15 C ATOM 0 H PHE A 2 -12.781 -3.341 7.794 1.00 -0.46 H new ATOM 0 HA PHE A 2 -10.786 -4.557 9.353 1.00 0.04 H new ATOM 0 HB2 PHE A 2 -10.685 -3.667 6.451 1.00 -0.10 H new ATOM 0 HB3 PHE A 2 -9.723 -4.929 7.196 1.00 -0.10 H new ATOM 0 HD1 PHE A 2 -11.006 -6.983 8.189 1.00 -0.15 H new ATOM 0 HD2 PHE A 2 -12.762 -4.172 5.442 1.00 -0.15 H new ATOM 0 HE1 PHE A 2 -12.804 -8.615 7.661 1.00 -0.15 H new ATOM 0 HE2 PHE A 2 -14.548 -5.810 4.899 1.00 -0.15 H new ATOM 0 HZ PHE A 2 -14.586 -8.023 6.033 1.00 -0.15 H new ATOM 38 N THR A 3 -8.829 -3.009 9.611 1.00 -0.46 N ATOM 39 CA THR A 3 -7.838 -2.041 10.064 1.00 0.04 C ATOM 40 C THR A 3 -6.623 -2.067 9.132 1.00 0.62 C ATOM 41 O THR A 3 -5.627 -2.729 9.425 1.00 -0.50 O ATOM 42 CB THR A 3 -7.465 -2.355 11.525 1.00 0.17 C ATOM 43 OG1 THR A 3 -8.640 -2.508 12.293 1.00 -0.55 O ATOM 44 CG2 THR A 3 -6.622 -1.236 12.145 1.00 -0.19 C ATOM 0 H THR A 3 -8.653 -3.955 9.950 1.00 -0.46 H new ATOM 0 HA THR A 3 -8.244 -1.030 10.031 1.00 0.04 H new ATOM 0 HB THR A 3 -6.881 -3.275 11.525 1.00 0.17 H new ATOM 0 HG1 THR A 3 -8.400 -2.709 13.222 1.00 -0.55 H new ATOM 0 HG21 THR A 3 -6.378 -1.493 13.176 1.00 -0.19 H new ATOM 0 HG22 THR A 3 -5.702 -1.115 11.574 1.00 -0.19 H new ATOM 0 HG23 THR A 3 -7.186 -0.303 12.127 1.00 -0.19 H new ATOM 52 N ILE A 4 -6.701 -1.346 8.005 1.00 -0.46 N ATOM 53 CA ILE A 4 -5.609 -1.276 7.045 1.00 0.04 C ATOM 54 C ILE A 4 -4.606 -0.229 7.537 1.00 0.62 C ATOM 55 O ILE A 4 -4.954 0.942 7.693 1.00 -0.50 O ATOM 56 CB ILE A 4 -6.137 -0.983 5.623 1.00 -0.01 C ATOM 57 CG1 ILE A 4 -6.801 -2.216 4.982 1.00 -0.05 C ATOM 58 CG2 ILE A 4 -4.988 -0.570 4.690 1.00 -0.09 C ATOM 59 CD1 ILE A 4 -8.135 -2.638 5.598 1.00 -0.09 C ATOM 0 H ILE A 4 -7.521 -0.800 7.741 1.00 -0.46 H new ATOM 0 HA ILE A 4 -5.100 -2.237 6.975 1.00 0.04 H new ATOM 0 HB ILE A 4 -6.868 -0.182 5.737 1.00 -0.01 H new ATOM 0 HG12 ILE A 4 -6.958 -2.013 3.922 1.00 -0.05 H new ATOM 0 HG13 ILE A 4 -6.109 -3.055 5.047 1.00 -0.05 H new ATOM 0 HG21 ILE A 4 -5.383 -0.368 3.694 1.00 -0.09 H new ATOM 0 HG22 ILE A 4 -4.508 0.328 5.079 1.00 -0.09 H new ATOM 0 HG23 ILE A 4 -4.257 -1.376 4.634 1.00 -0.09 H new ATOM 0 HD11 ILE A 4 -8.517 -3.514 5.074 1.00 -0.09 H new ATOM 0 HD12 ILE A 4 -7.989 -2.879 6.651 1.00 -0.09 H new ATOM 0 HD13 ILE A 4 -8.851 -1.821 5.509 1.00 -0.09 H new ATOM 71 N ASN A 5 -3.362 -0.662 7.776 1.00 -0.46 N ATOM 72 CA ASN A 5 -2.256 0.206 8.160 1.00 0.04 C ATOM 73 C ASN A 5 -1.931 1.154 7.006 1.00 0.62 C ATOM 74 O ASN A 5 -1.843 0.718 5.859 1.00 -0.50 O ATOM 75 CB ASN A 5 -1.011 -0.629 8.490 1.00 -0.09 C ATOM 76 CG ASN A 5 -1.159 -1.461 9.761 1.00 0.68 C ATOM 77 OD1 ASN A 5 -2.119 -2.213 9.914 1.00 -0.47 O ATOM 78 ND2 ASN A 5 -0.187 -1.371 10.671 1.00 -0.87 N ATOM 0 H ASN A 5 -3.097 -1.644 7.705 1.00 -0.46 H new ATOM 0 HA ASN A 5 -2.547 0.776 9.042 1.00 0.04 H new ATOM 0 HB2 ASN A 5 -0.796 -1.293 7.653 1.00 -0.09 H new ATOM 0 HB3 ASN A 5 -0.154 0.036 8.598 1.00 -0.09 H new ATOM 0 HD21 ASN A 5 -0.229 -1.935 11.520 1.00 -0.87 H new ATOM 0 HD22 ASN A 5 0.598 -0.738 10.518 1.00 -0.87 H new ATOM 85 N ALA A 6 -1.744 2.443 7.314 1.00 -0.46 N ATOM 86 CA ALA A 6 -1.380 3.448 6.330 1.00 0.04 C ATOM 87 C ALA A 6 -0.723 4.654 6.997 1.00 0.62 C ATOM 88 O ALA A 6 -0.846 4.864 8.204 1.00 -0.50 O ATOM 89 CB ALA A 6 -2.624 3.889 5.553 1.00 -0.10 C ATOM 0 H ALA A 6 -1.843 2.812 8.260 1.00 -0.46 H new ATOM 0 HA ALA A 6 -0.660 3.009 5.639 1.00 0.04 H new ATOM 0 HB1 ALA A 6 -2.345 4.643 4.817 1.00 -0.10 H new ATOM 0 HB2 ALA A 6 -3.059 3.029 5.045 1.00 -0.10 H new ATOM 0 HB3 ALA A 6 -3.354 4.310 6.244 1.00 -0.10 H new ATOM 95 N GLU A 7 -0.038 5.453 6.177 1.00 -0.46 N ATOM 96 CA GLU A 7 0.506 6.754 6.529 1.00 0.04 C ATOM 97 C GLU A 7 0.372 7.645 5.297 1.00 0.62 C ATOM 98 O GLU A 7 0.095 7.154 4.203 1.00 -0.50 O ATOM 99 CB GLU A 7 1.986 6.630 6.923 1.00 -0.18 C ATOM 100 CG GLU A 7 2.205 5.803 8.195 1.00 -0.40 C ATOM 101 CD GLU A 7 3.681 5.781 8.579 1.00 0.71 C ATOM 102 OE1 GLU A 7 4.147 6.813 9.110 1.00 -0.72 O ATOM 103 OE2 GLU A 7 4.322 4.738 8.322 1.00 -0.72 O ATOM 0 H GLU A 7 0.158 5.195 5.210 1.00 -0.46 H new ATOM 0 HA GLU A 7 -0.031 7.174 7.379 1.00 0.04 H new ATOM 0 HB2 GLU A 7 2.537 6.173 6.101 1.00 -0.18 H new ATOM 0 HB3 GLU A 7 2.401 7.627 7.070 1.00 -0.18 H new ATOM 0 HG2 GLU A 7 1.618 6.222 9.012 1.00 -0.40 H new ATOM 0 HG3 GLU A 7 1.850 4.784 8.038 1.00 -0.40 H new ATOM 110 N VAL A 8 0.616 8.950 5.461 1.00 -0.46 N ATOM 111 CA VAL A 8 0.806 9.845 4.326 1.00 0.04 C ATOM 112 C VAL A 8 1.992 9.340 3.498 1.00 0.62 C ATOM 113 O VAL A 8 2.968 8.843 4.061 1.00 -0.50 O ATOM 114 CB VAL A 8 0.989 11.301 4.793 1.00 -0.01 C ATOM 115 CG1 VAL A 8 -0.272 11.793 5.516 1.00 -0.09 C ATOM 116 CG2 VAL A 8 2.214 11.501 5.698 1.00 -0.09 C ATOM 0 H VAL A 8 0.686 9.405 6.371 1.00 -0.46 H new ATOM 0 HA VAL A 8 -0.083 9.843 3.695 1.00 0.04 H new ATOM 0 HB VAL A 8 1.159 11.890 3.892 1.00 -0.01 H new ATOM 0 HG11 VAL A 8 -0.127 12.824 5.840 1.00 -0.09 H new ATOM 0 HG12 VAL A 8 -1.124 11.742 4.837 1.00 -0.09 H new ATOM 0 HG13 VAL A 8 -0.462 11.163 6.385 1.00 -0.09 H new ATOM 0 HG21 VAL A 8 2.283 12.549 5.990 1.00 -0.09 H new ATOM 0 HG22 VAL A 8 2.113 10.882 6.589 1.00 -0.09 H new ATOM 0 HG23 VAL A 8 3.116 11.215 5.158 1.00 -0.09 H new ATOM 126 N ARG A 9 1.883 9.407 2.166 1.00 -0.46 N ATOM 127 CA ARG A 9 2.835 8.771 1.267 1.00 0.04 C ATOM 128 C ARG A 9 4.221 9.408 1.401 1.00 0.62 C ATOM 129 O ARG A 9 4.452 10.494 0.873 1.00 -0.50 O ATOM 130 CB ARG A 9 2.306 8.820 -0.172 1.00 -0.08 C ATOM 131 CG ARG A 9 3.230 8.040 -1.114 1.00 -0.10 C ATOM 132 CD ARG A 9 2.636 7.907 -2.518 1.00 -0.23 C ATOM 133 NE ARG A 9 2.472 9.214 -3.165 1.00 -0.32 N ATOM 134 CZ ARG A 9 1.941 9.400 -4.385 1.00 0.76 C ATOM 135 NH1 ARG A 9 1.520 8.357 -5.115 1.00 -0.62 N ATOM 136 NH2 ARG A 9 1.826 10.642 -4.874 1.00 -0.62 N ATOM 0 H ARG A 9 1.131 9.904 1.688 1.00 -0.46 H new ATOM 0 HA ARG A 9 2.946 7.722 1.543 1.00 0.04 H new ATOM 0 HB2 ARG A 9 1.301 8.400 -0.210 1.00 -0.08 H new ATOM 0 HB3 ARG A 9 2.231 9.856 -0.503 1.00 -0.08 H new ATOM 0 HG2 ARG A 9 4.195 8.543 -1.175 1.00 -0.10 H new ATOM 0 HG3 ARG A 9 3.414 7.048 -0.702 1.00 -0.10 H new ATOM 0 HD2 ARG A 9 3.283 7.278 -3.129 1.00 -0.23 H new ATOM 0 HD3 ARG A 9 1.669 7.407 -2.458 1.00 -0.23 H new ATOM 0 HE ARG A 9 2.783 10.039 -2.652 1.00 -0.32 H new ATOM 0 HH11 ARG A 9 1.601 7.410 -4.745 1.00 -0.62 H new ATOM 0 HH12 ARG A 9 1.119 8.511 -6.040 1.00 -0.62 H new ATOM 0 HH21 ARG A 9 2.141 11.439 -4.321 1.00 -0.62 H new ATOM 0 HH22 ARG A 9 1.424 10.790 -5.800 1.00 -0.62 H new ATOM 150 N LYS A 10 5.133 8.728 2.109 1.00 -0.46 N ATOM 151 CA LYS A 10 6.476 9.204 2.402 1.00 0.04 C ATOM 152 C LYS A 10 7.303 8.042 2.957 1.00 0.62 C ATOM 153 O LYS A 10 6.899 7.432 3.945 1.00 -0.50 O ATOM 154 CB LYS A 10 6.408 10.346 3.430 1.00 -0.10 C ATOM 155 CG LYS A 10 7.781 11.004 3.618 1.00 -0.16 C ATOM 156 CD LYS A 10 7.752 12.148 4.642 1.00 -0.18 C ATOM 157 CE LYS A 10 7.433 11.701 6.076 1.00 -0.04 C ATOM 158 NZ LYS A 10 8.375 10.680 6.568 1.00 -0.14 N ATOM 0 H LYS A 10 4.943 7.806 2.501 1.00 -0.46 H new ATOM 0 HA LYS A 10 6.944 9.581 1.493 1.00 0.04 H new ATOM 0 HB2 LYS A 10 5.686 11.093 3.101 1.00 -0.10 H new ATOM 0 HB3 LYS A 10 6.053 9.959 4.385 1.00 -0.10 H new ATOM 0 HG2 LYS A 10 8.500 10.251 3.941 1.00 -0.16 H new ATOM 0 HG3 LYS A 10 8.130 11.388 2.659 1.00 -0.16 H new ATOM 0 HD2 LYS A 10 8.719 12.650 4.637 1.00 -0.18 H new ATOM 0 HD3 LYS A 10 7.010 12.882 4.329 1.00 -0.18 H new ATOM 0 HE2 LYS A 10 7.461 12.566 6.738 1.00 -0.04 H new ATOM 0 HE3 LYS A 10 6.419 11.304 6.113 1.00 -0.04 H new ATOM 0 HZ1 LYS A 10 8.216 10.521 7.583 1.00 -0.14 H new ATOM 0 HZ2 LYS A 10 8.224 9.790 6.051 1.00 -0.14 H new ATOM 0 HZ3 LYS A 10 9.351 11.007 6.418 1.00 -0.14 H new ATOM 172 N GLU A 11 8.468 7.757 2.356 1.00 -0.46 N ATOM 173 CA GLU A 11 9.428 6.800 2.897 1.00 0.04 C ATOM 174 C GLU A 11 10.834 7.202 2.444 1.00 0.62 C ATOM 175 O GLU A 11 11.260 6.860 1.339 1.00 -0.50 O ATOM 176 CB GLU A 11 9.033 5.358 2.517 1.00 -0.18 C ATOM 177 CG GLU A 11 9.241 4.351 3.660 1.00 -0.40 C ATOM 178 CD GLU A 11 10.687 3.898 3.866 1.00 0.71 C ATOM 179 OE1 GLU A 11 11.584 4.765 3.804 1.00 -0.72 O ATOM 180 OE2 GLU A 11 10.870 2.684 4.109 1.00 -0.72 O ATOM 0 H GLU A 11 8.766 8.187 1.480 1.00 -0.46 H new ATOM 0 HA GLU A 11 9.423 6.820 3.987 1.00 0.04 H new ATOM 0 HB2 GLU A 11 7.986 5.343 2.214 1.00 -0.18 H new ATOM 0 HB3 GLU A 11 9.619 5.043 1.653 1.00 -0.18 H new ATOM 0 HG2 GLU A 11 8.880 4.797 4.587 1.00 -0.40 H new ATOM 0 HG3 GLU A 11 8.625 3.473 3.467 1.00 -0.40 H new ATOM 187 N GLN A 12 11.520 7.963 3.314 1.00 -0.46 N ATOM 188 CA GLN A 12 12.840 8.555 3.117 1.00 0.04 C ATOM 189 C GLN A 12 12.975 9.155 1.716 1.00 0.62 C ATOM 190 O GLN A 12 13.771 8.703 0.895 1.00 -0.50 O ATOM 191 CB GLN A 12 13.955 7.561 3.474 1.00 -0.10 C ATOM 192 CG GLN A 12 13.883 7.148 4.952 1.00 -0.10 C ATOM 193 CD GLN A 12 15.010 6.196 5.355 1.00 0.68 C ATOM 194 OE1 GLN A 12 15.706 5.638 4.510 1.00 -0.47 O ATOM 195 NE2 GLN A 12 15.200 6.014 6.663 1.00 -0.87 N ATOM 0 H GLN A 12 11.136 8.191 4.231 1.00 -0.46 H new ATOM 0 HA GLN A 12 12.953 9.389 3.809 1.00 0.04 H new ATOM 0 HB2 GLN A 12 13.872 6.676 2.843 1.00 -0.10 H new ATOM 0 HB3 GLN A 12 14.926 8.011 3.267 1.00 -0.10 H new ATOM 0 HG2 GLN A 12 13.926 8.040 5.577 1.00 -0.10 H new ATOM 0 HG3 GLN A 12 12.923 6.670 5.145 1.00 -0.10 H new ATOM 0 HE21 GLN A 12 14.603 6.494 7.337 1.00 -0.87 H new ATOM 0 HE22 GLN A 12 15.942 5.395 6.989 1.00 -0.87 H new ATOM 204 N GLY A 13 12.161 10.186 1.465 1.00 -0.46 N ATOM 205 CA GLY A 13 12.050 10.889 0.202 1.00 0.04 C ATOM 206 C GLY A 13 10.793 11.756 0.249 1.00 0.62 C ATOM 207 O GLY A 13 10.222 11.954 1.321 1.00 -0.50 O ATOM 0 H GLY A 13 11.536 10.564 2.177 1.00 -0.46 H new ATOM 0 HA2 GLY A 13 12.932 11.507 0.032 1.00 0.04 H new ATOM 0 HA3 GLY A 13 11.993 10.180 -0.624 1.00 0.04 H new ATOM 211 N LYS A 14 10.346 12.251 -0.910 1.00 -0.46 N ATOM 212 CA LYS A 14 9.061 12.927 -1.023 1.00 0.04 C ATOM 213 C LYS A 14 7.941 11.905 -0.826 1.00 0.62 C ATOM 214 O LYS A 14 7.169 12.007 0.125 1.00 -0.50 O ATOM 215 CB LYS A 14 8.935 13.618 -2.389 1.00 -0.10 C ATOM 216 CG LYS A 14 9.712 14.937 -2.425 1.00 -0.16 C ATOM 217 CD LYS A 14 9.576 15.579 -3.812 1.00 -0.18 C ATOM 218 CE LYS A 14 10.136 17.006 -3.849 1.00 -0.04 C ATOM 219 NZ LYS A 14 9.296 17.950 -3.090 1.00 -0.14 N ATOM 0 H LYS A 14 10.864 12.192 -1.787 1.00 -0.46 H new ATOM 0 HA LYS A 14 8.985 13.696 -0.254 1.00 0.04 H new ATOM 0 HB2 LYS A 14 9.307 12.954 -3.169 1.00 -0.10 H new ATOM 0 HB3 LYS A 14 7.884 13.808 -2.606 1.00 -0.10 H new ATOM 0 HG2 LYS A 14 9.332 15.615 -1.661 1.00 -0.16 H new ATOM 0 HG3 LYS A 14 10.763 14.758 -2.198 1.00 -0.16 H new ATOM 0 HD2 LYS A 14 10.099 14.966 -4.546 1.00 -0.18 H new ATOM 0 HD3 LYS A 14 8.525 15.596 -4.101 1.00 -0.18 H new ATOM 0 HE2 LYS A 14 11.146 17.010 -3.439 1.00 -0.04 H new ATOM 0 HE3 LYS A 14 10.211 17.339 -4.884 1.00 -0.04 H new ATOM 0 HZ1 LYS A 14 9.611 18.923 -3.278 1.00 -0.14 H new ATOM 0 HZ2 LYS A 14 8.304 17.844 -3.382 1.00 -0.14 H new ATOM 0 HZ3 LYS A 14 9.380 17.749 -2.073 1.00 -0.14 H new ATOM 233 N GLY A 15 7.868 10.925 -1.733 1.00 -0.46 N ATOM 234 CA GLY A 15 6.883 9.859 -1.702 1.00 0.04 C ATOM 235 C GLY A 15 7.459 8.598 -1.063 1.00 0.62 C ATOM 236 O GLY A 15 8.532 8.623 -0.457 1.00 -0.50 O ATOM 0 H GLY A 15 8.510 10.857 -2.523 1.00 -0.46 H new ATOM 0 HA2 GLY A 15 6.006 10.186 -1.143 1.00 0.04 H new ATOM 0 HA3 GLY A 15 6.550 9.637 -2.716 1.00 0.04 H new ATOM 240 N ALA A 16 6.741 7.484 -1.234 1.00 -0.46 N ATOM 241 CA ALA A 16 7.239 6.157 -0.924 1.00 0.04 C ATOM 242 C ALA A 16 8.301 5.816 -1.964 1.00 0.62 C ATOM 243 O ALA A 16 7.975 5.668 -3.141 1.00 -0.50 O ATOM 244 CB ALA A 16 6.081 5.159 -0.955 1.00 -0.10 C ATOM 0 H ALA A 16 5.787 7.487 -1.596 1.00 -0.46 H new ATOM 0 HA ALA A 16 7.679 6.115 0.072 1.00 0.04 H new ATOM 0 HB1 ALA A 16 6.454 4.162 -0.722 1.00 -0.10 H new ATOM 0 HB2 ALA A 16 5.332 5.448 -0.217 1.00 -0.10 H new ATOM 0 HB3 ALA A 16 5.630 5.155 -1.947 1.00 -0.10 H new ATOM 250 N SER A 17 9.569 5.755 -1.544 1.00 -0.46 N ATOM 251 CA SER A 17 10.704 5.652 -2.449 1.00 0.04 C ATOM 252 C SER A 17 11.684 4.593 -1.955 1.00 0.62 C ATOM 253 O SER A 17 11.990 3.650 -2.684 1.00 -0.50 O ATOM 254 CB SER A 17 11.374 7.025 -2.584 1.00 0.02 C ATOM 255 OG SER A 17 10.445 7.972 -3.072 1.00 -0.55 O ATOM 0 H SER A 17 9.832 5.776 -0.559 1.00 -0.46 H new ATOM 0 HA SER A 17 10.360 5.340 -3.435 1.00 0.04 H new ATOM 0 HB2 SER A 17 11.759 7.347 -1.617 1.00 0.02 H new ATOM 0 HB3 SER A 17 12.226 6.958 -3.260 1.00 0.02 H new ATOM 0 HG SER A 17 9.838 8.237 -2.350 1.00 -0.55 H new ATOM 261 N ARG A 18 12.172 4.740 -0.717 1.00 -0.46 N ATOM 262 CA ARG A 18 13.198 3.876 -0.150 1.00 0.04 C ATOM 263 C ARG A 18 12.576 2.595 0.420 1.00 0.62 C ATOM 264 O ARG A 18 12.831 2.232 1.566 1.00 -0.50 O ATOM 265 CB ARG A 18 13.960 4.685 0.905 1.00 -0.08 C ATOM 266 CG ARG A 18 15.176 3.949 1.489 1.00 -0.10 C ATOM 267 CD ARG A 18 16.417 4.848 1.516 1.00 -0.23 C ATOM 268 NE ARG A 18 16.965 5.055 0.167 1.00 -0.32 N ATOM 269 CZ ARG A 18 17.756 4.190 -0.491 1.00 0.76 C ATOM 270 NH1 ARG A 18 18.094 3.013 0.057 1.00 -0.62 N ATOM 271 NH2 ARG A 18 18.217 4.508 -1.709 1.00 -0.62 N ATOM 0 H ARG A 18 11.858 5.472 -0.080 1.00 -0.46 H new ATOM 0 HA ARG A 18 13.899 3.549 -0.918 1.00 0.04 H new ATOM 0 HB2 ARG A 18 14.293 5.623 0.460 1.00 -0.08 H new ATOM 0 HB3 ARG A 18 13.278 4.942 1.716 1.00 -0.08 H new ATOM 0 HG2 ARG A 18 14.948 3.612 2.500 1.00 -0.10 H new ATOM 0 HG3 ARG A 18 15.383 3.059 0.895 1.00 -0.10 H new ATOM 0 HD2 ARG A 18 16.160 5.811 1.957 1.00 -0.23 H new ATOM 0 HD3 ARG A 18 17.178 4.399 2.154 1.00 -0.23 H new ATOM 0 HE ARG A 18 16.725 5.925 -0.308 1.00 -0.32 H new ATOM 0 HH11 ARG A 18 17.750 2.765 0.985 1.00 -0.62 H new ATOM 0 HH12 ARG A 18 18.695 2.366 -0.454 1.00 -0.62 H new ATOM 0 HH21 ARG A 18 17.967 5.402 -2.131 1.00 -0.62 H new ATOM 0 HH22 ARG A 18 18.818 3.856 -2.213 1.00 -0.62 H new ATOM 285 N ARG A 19 11.762 1.900 -0.385 1.00 -0.46 N ATOM 286 CA ARG A 19 11.059 0.698 0.040 1.00 0.04 C ATOM 287 C ARG A 19 10.532 -0.069 -1.173 1.00 0.62 C ATOM 288 O ARG A 19 10.813 -1.258 -1.315 1.00 -0.50 O ATOM 289 CB ARG A 19 9.930 1.068 1.017 1.00 -0.08 C ATOM 290 CG ARG A 19 9.630 -0.107 1.951 1.00 -0.10 C ATOM 291 CD ARG A 19 8.617 0.305 3.017 1.00 -0.23 C ATOM 292 NE ARG A 19 8.536 -0.686 4.096 1.00 -0.32 N ATOM 293 CZ ARG A 19 9.345 -0.724 5.170 1.00 0.76 C ATOM 294 NH1 ARG A 19 10.312 0.189 5.351 1.00 -0.62 N ATOM 295 NH2 ARG A 19 9.180 -1.694 6.079 1.00 -0.62 N ATOM 0 H ARG A 19 11.576 2.163 -1.353 1.00 -0.46 H new ATOM 0 HA ARG A 19 11.753 0.041 0.564 1.00 0.04 H new ATOM 0 HB2 ARG A 19 10.217 1.942 1.602 1.00 -0.08 H new ATOM 0 HB3 ARG A 19 9.032 1.338 0.461 1.00 -0.08 H new ATOM 0 HG2 ARG A 19 9.241 -0.947 1.376 1.00 -0.10 H new ATOM 0 HG3 ARG A 19 10.550 -0.446 2.427 1.00 -0.10 H new ATOM 0 HD2 ARG A 19 8.898 1.273 3.432 1.00 -0.23 H new ATOM 0 HD3 ARG A 19 7.635 0.427 2.559 1.00 -0.23 H new ATOM 0 HE ARG A 19 7.811 -1.400 4.026 1.00 -0.32 H new ATOM 0 HH11 ARG A 19 10.446 0.933 4.666 1.00 -0.62 H new ATOM 0 HH12 ARG A 19 10.913 0.139 6.174 1.00 -0.62 H new ATOM 0 HH21 ARG A 19 8.448 -2.393 5.952 1.00 -0.62 H new ATOM 0 HH22 ARG A 19 9.787 -1.734 6.898 1.00 -0.62 H new ATOM 309 N LEU A 20 9.801 0.629 -2.056 1.00 -0.46 N ATOM 310 CA LEU A 20 9.242 0.091 -3.297 1.00 0.04 C ATOM 311 C LEU A 20 10.293 -0.649 -4.130 1.00 0.62 C ATOM 312 O LEU A 20 9.968 -1.612 -4.821 1.00 -0.50 O ATOM 313 CB LEU A 20 8.637 1.224 -4.141 1.00 -0.06 C ATOM 314 CG LEU A 20 7.598 2.105 -3.426 1.00 -0.01 C ATOM 315 CD1 LEU A 20 6.964 3.045 -4.457 1.00 -0.11 C ATOM 316 CD2 LEU A 20 6.496 1.273 -2.766 1.00 -0.11 C ATOM 0 H LEU A 20 9.578 1.615 -1.917 1.00 -0.46 H new ATOM 0 HA LEU A 20 8.468 -0.623 -3.016 1.00 0.04 H new ATOM 0 HB2 LEU A 20 9.447 1.862 -4.493 1.00 -0.06 H new ATOM 0 HB3 LEU A 20 8.170 0.786 -5.023 1.00 -0.06 H new ATOM 0 HG LEU A 20 8.107 2.664 -2.641 1.00 -0.01 H new ATOM 0 HD11 LEU A 20 6.224 3.677 -3.966 1.00 -0.11 H new ATOM 0 HD12 LEU A 20 7.737 3.670 -4.903 1.00 -0.11 H new ATOM 0 HD13 LEU A 20 6.479 2.457 -5.236 1.00 -0.11 H new ATOM 0 HD21 LEU A 20 5.785 1.936 -2.273 1.00 -0.11 H new ATOM 0 HD22 LEU A 20 5.979 0.686 -3.525 1.00 -0.11 H new ATOM 0 HD23 LEU A 20 6.938 0.603 -2.029 1.00 -0.11 H new ATOM 328 N ARG A 21 11.548 -0.186 -4.050 1.00 -0.46 N ATOM 329 CA ARG A 21 12.734 -0.756 -4.675 1.00 0.04 C ATOM 330 C ARG A 21 12.797 -2.286 -4.585 1.00 0.62 C ATOM 331 O ARG A 21 13.232 -2.924 -5.541 1.00 -0.50 O ATOM 332 CB ARG A 21 13.973 -0.148 -4.008 1.00 -0.08 C ATOM 333 CG ARG A 21 14.145 1.335 -4.367 1.00 -0.10 C ATOM 334 CD ARG A 21 15.142 2.035 -3.436 1.00 -0.23 C ATOM 335 NE ARG A 21 16.477 1.419 -3.488 1.00 -0.32 N ATOM 336 CZ ARG A 21 16.999 0.566 -2.588 1.00 0.76 C ATOM 337 NH1 ARG A 21 16.308 0.170 -1.508 1.00 -0.62 N ATOM 338 NH2 ARG A 21 18.241 0.097 -2.776 1.00 -0.62 N ATOM 0 H ARG A 21 11.768 0.651 -3.510 1.00 -0.46 H new ATOM 0 HA ARG A 21 12.693 -0.515 -5.737 1.00 0.04 H new ATOM 0 HB2 ARG A 21 13.892 -0.253 -2.926 1.00 -0.08 H new ATOM 0 HB3 ARG A 21 14.860 -0.702 -4.316 1.00 -0.08 H new ATOM 0 HG2 ARG A 21 14.488 1.422 -5.398 1.00 -0.10 H new ATOM 0 HG3 ARG A 21 13.179 1.837 -4.309 1.00 -0.10 H new ATOM 0 HD2 ARG A 21 15.218 3.087 -3.712 1.00 -0.23 H new ATOM 0 HD3 ARG A 21 14.767 2.000 -2.413 1.00 -0.23 H new ATOM 0 HE ARG A 21 17.065 1.663 -4.285 1.00 -0.32 H new ATOM 0 HH11 ARG A 21 15.361 0.517 -1.353 1.00 -0.62 H new ATOM 0 HH12 ARG A 21 16.729 -0.478 -0.842 1.00 -0.62 H new ATOM 0 HH21 ARG A 21 18.778 0.388 -3.593 1.00 -0.62 H new ATOM 0 HH22 ARG A 21 18.649 -0.550 -2.102 1.00 -0.62 H new ATOM 352 N ALA A 22 12.402 -2.870 -3.443 1.00 -0.46 N ATOM 353 CA ALA A 22 12.519 -4.307 -3.215 1.00 0.04 C ATOM 354 C ALA A 22 11.445 -4.820 -2.256 1.00 0.62 C ATOM 355 O ALA A 22 10.779 -5.811 -2.553 1.00 -0.50 O ATOM 356 CB ALA A 22 13.920 -4.631 -2.687 1.00 -0.10 C ATOM 0 H ALA A 22 11.996 -2.358 -2.660 1.00 -0.46 H new ATOM 0 HA ALA A 22 12.365 -4.817 -4.166 1.00 0.04 H new ATOM 0 HB1 ALA A 22 14.006 -5.704 -2.517 1.00 -0.10 H new ATOM 0 HB2 ALA A 22 14.666 -4.319 -3.418 1.00 -0.10 H new ATOM 0 HB3 ALA A 22 14.087 -4.101 -1.749 1.00 -0.10 H new ATOM 362 N ALA A 23 11.296 -4.171 -1.095 1.00 -0.46 N ATOM 363 CA ALA A 23 10.384 -4.611 -0.049 1.00 0.04 C ATOM 364 C ALA A 23 8.926 -4.520 -0.508 1.00 0.62 C ATOM 365 O ALA A 23 8.575 -3.677 -1.332 1.00 -0.50 O ATOM 366 CB ALA A 23 10.628 -3.790 1.219 1.00 -0.10 C ATOM 0 H ALA A 23 11.810 -3.322 -0.860 1.00 -0.46 H new ATOM 0 HA ALA A 23 10.578 -5.660 0.172 1.00 0.04 H new ATOM 0 HB1 ALA A 23 9.945 -4.119 2.002 1.00 -0.10 H new ATOM 0 HB2 ALA A 23 11.657 -3.931 1.551 1.00 -0.10 H new ATOM 0 HB3 ALA A 23 10.456 -2.735 1.008 1.00 -0.10 H new ATOM 372 N ASN A 24 8.088 -5.419 0.024 1.00 -0.46 N ATOM 373 CA ASN A 24 6.701 -5.594 -0.384 1.00 0.04 C ATOM 374 C ASN A 24 5.857 -4.402 0.073 1.00 0.62 C ATOM 375 O ASN A 24 5.369 -4.385 1.203 1.00 -0.50 O ATOM 376 CB ASN A 24 6.146 -6.904 0.198 1.00 -0.09 C ATOM 377 CG ASN A 24 6.867 -8.150 -0.313 1.00 0.68 C ATOM 378 OD1 ASN A 24 7.518 -8.125 -1.356 1.00 -0.47 O ATOM 379 ND2 ASN A 24 6.749 -9.254 0.425 1.00 -0.87 N ATOM 0 H ASN A 24 8.369 -6.057 0.768 1.00 -0.46 H new ATOM 0 HA ASN A 24 6.656 -5.647 -1.472 1.00 0.04 H new ATOM 0 HB2 ASN A 24 6.221 -6.870 1.285 1.00 -0.09 H new ATOM 0 HB3 ASN A 24 5.086 -6.981 -0.046 1.00 -0.09 H new ATOM 0 HD21 ASN A 24 7.207 -10.116 0.130 1.00 -0.87 H new ATOM 0 HD22 ASN A 24 6.200 -9.237 1.285 1.00 -0.87 H new ATOM 386 N LYS A 25 5.664 -3.420 -0.816 1.00 -0.46 N ATOM 387 CA LYS A 25 4.787 -2.285 -0.577 1.00 0.04 C ATOM 388 C LYS A 25 4.429 -1.617 -1.905 1.00 0.62 C ATOM 389 O LYS A 25 5.123 -1.812 -2.903 1.00 -0.50 O ATOM 390 CB LYS A 25 5.449 -1.304 0.406 1.00 -0.10 C ATOM 391 CG LYS A 25 4.380 -0.536 1.186 1.00 -0.16 C ATOM 392 CD LYS A 25 4.983 0.201 2.379 1.00 -0.18 C ATOM 393 CE LYS A 25 3.879 0.791 3.257 1.00 -0.04 C ATOM 394 NZ LYS A 25 4.436 1.505 4.418 1.00 -0.14 N ATOM 0 H LYS A 25 6.120 -3.398 -1.728 1.00 -0.46 H new ATOM 0 HA LYS A 25 3.859 -2.627 -0.119 1.00 0.04 H new ATOM 0 HB2 LYS A 25 6.093 -1.849 1.097 1.00 -0.10 H new ATOM 0 HB3 LYS A 25 6.085 -0.606 -0.138 1.00 -0.10 H new ATOM 0 HG2 LYS A 25 3.888 0.178 0.526 1.00 -0.16 H new ATOM 0 HG3 LYS A 25 3.613 -1.228 1.534 1.00 -0.16 H new ATOM 0 HD2 LYS A 25 5.595 -0.484 2.966 1.00 -0.18 H new ATOM 0 HD3 LYS A 25 5.641 0.996 2.028 1.00 -0.18 H new ATOM 0 HE2 LYS A 25 3.269 1.475 2.666 1.00 -0.04 H new ATOM 0 HE3 LYS A 25 3.221 -0.007 3.601 1.00 -0.04 H new ATOM 0 HZ1 LYS A 25 3.661 1.907 4.983 1.00 -0.14 H new ATOM 0 HZ2 LYS A 25 4.983 0.842 5.003 1.00 -0.14 H new ATOM 0 HZ3 LYS A 25 5.058 2.271 4.089 1.00 -0.14 H new ATOM 408 N PHE A 26 3.340 -0.837 -1.915 1.00 -0.46 N ATOM 409 CA PHE A 26 2.895 -0.063 -3.067 1.00 0.04 C ATOM 410 C PHE A 26 2.080 1.141 -2.576 1.00 0.62 C ATOM 411 O PHE A 26 1.444 1.053 -1.524 1.00 -0.50 O ATOM 412 CB PHE A 26 2.074 -0.949 -4.019 1.00 -0.10 C ATOM 413 CG PHE A 26 0.749 -1.415 -3.448 1.00 -0.10 C ATOM 414 CD1 PHE A 26 0.708 -2.521 -2.587 1.00 -0.15 C ATOM 415 CD2 PHE A 26 -0.416 -0.664 -3.667 1.00 -0.15 C ATOM 416 CE1 PHE A 26 -0.483 -2.861 -1.924 1.00 -0.15 C ATOM 417 CE2 PHE A 26 -1.613 -1.006 -3.021 1.00 -0.15 C ATOM 418 CZ PHE A 26 -1.647 -2.104 -2.145 1.00 -0.15 C ATOM 0 H PHE A 26 2.735 -0.728 -1.101 1.00 -0.46 H new ATOM 0 HA PHE A 26 3.757 0.303 -3.625 1.00 0.04 H new ATOM 0 HB2 PHE A 26 1.886 -0.396 -4.940 1.00 -0.10 H new ATOM 0 HB3 PHE A 26 2.668 -1.822 -4.287 1.00 -0.10 H new ATOM 0 HD1 PHE A 26 1.597 -3.115 -2.433 1.00 -0.15 H new ATOM 0 HD2 PHE A 26 -0.391 0.183 -4.337 1.00 -0.15 H new ATOM 0 HE1 PHE A 26 -0.504 -3.702 -1.246 1.00 -0.15 H new ATOM 0 HE2 PHE A 26 -2.507 -0.426 -3.197 1.00 -0.15 H new ATOM 0 HZ PHE A 26 -2.566 -2.366 -1.642 1.00 -0.15 H new ATOM 428 N PRO A 27 2.083 2.265 -3.314 1.00 -0.23 N ATOM 429 CA PRO A 27 1.304 3.444 -2.972 1.00 0.04 C ATOM 430 C PRO A 27 -0.156 3.256 -3.396 1.00 0.53 C ATOM 431 O PRO A 27 -0.427 2.626 -4.416 1.00 -0.50 O ATOM 432 CB PRO A 27 1.961 4.583 -3.754 1.00 -0.12 C ATOM 433 CG PRO A 27 2.458 3.886 -5.020 1.00 -0.12 C ATOM 434 CD PRO A 27 2.881 2.509 -4.506 1.00 -0.01 C ATOM 0 HA PRO A 27 1.291 3.642 -1.900 1.00 0.04 H new ATOM 0 HB2 PRO A 27 1.251 5.378 -3.983 1.00 -0.12 H new ATOM 0 HB3 PRO A 27 2.779 5.037 -3.195 1.00 -0.12 H new ATOM 0 HG2 PRO A 27 1.675 3.813 -5.775 1.00 -0.12 H new ATOM 0 HG3 PRO A 27 3.291 4.421 -5.476 1.00 -0.12 H new ATOM 0 HD2 PRO A 27 2.704 1.740 -5.258 1.00 -0.01 H new ATOM 0 HD3 PRO A 27 3.946 2.489 -4.274 1.00 -0.01 H new ATOM 442 N ALA A 28 -1.089 3.820 -2.624 1.00 -0.46 N ATOM 443 CA ALA A 28 -2.519 3.795 -2.914 1.00 0.04 C ATOM 444 C ALA A 28 -3.096 5.203 -2.784 1.00 0.62 C ATOM 445 O ALA A 28 -2.405 6.113 -2.330 1.00 -0.50 O ATOM 446 CB ALA A 28 -3.209 2.814 -1.969 1.00 -0.10 C ATOM 0 H ALA A 28 -0.863 4.317 -1.762 1.00 -0.46 H new ATOM 0 HA ALA A 28 -2.689 3.459 -3.937 1.00 0.04 H new ATOM 0 HB1 ALA A 28 -4.278 2.793 -2.183 1.00 -0.10 H new ATOM 0 HB2 ALA A 28 -2.791 1.817 -2.110 1.00 -0.10 H new ATOM 0 HB3 ALA A 28 -3.052 3.130 -0.938 1.00 -0.10 H new ATOM 452 N ILE A 29 -4.351 5.385 -3.215 1.00 -0.46 N ATOM 453 CA ILE A 29 -5.011 6.682 -3.297 1.00 0.04 C ATOM 454 C ILE A 29 -6.437 6.573 -2.752 1.00 0.62 C ATOM 455 O ILE A 29 -7.112 5.567 -2.968 1.00 -0.50 O ATOM 456 CB ILE A 29 -4.971 7.184 -4.757 1.00 -0.01 C ATOM 457 CG1 ILE A 29 -3.523 7.543 -5.146 1.00 -0.05 C ATOM 458 CG2 ILE A 29 -5.887 8.392 -4.986 1.00 -0.09 C ATOM 459 CD1 ILE A 29 -3.370 8.053 -6.583 1.00 -0.09 C ATOM 0 H ILE A 29 -4.944 4.614 -3.522 1.00 -0.46 H new ATOM 0 HA ILE A 29 -4.489 7.415 -2.683 1.00 0.04 H new ATOM 0 HB ILE A 29 -5.338 6.375 -5.389 1.00 -0.01 H new ATOM 0 HG12 ILE A 29 -3.152 8.304 -4.460 1.00 -0.05 H new ATOM 0 HG13 ILE A 29 -2.894 6.662 -5.015 1.00 -0.05 H new ATOM 0 HG21 ILE A 29 -5.822 8.706 -6.028 1.00 -0.09 H new ATOM 0 HG22 ILE A 29 -6.916 8.118 -4.753 1.00 -0.09 H new ATOM 0 HG23 ILE A 29 -5.575 9.213 -4.340 1.00 -0.09 H new ATOM 0 HD11 ILE A 29 -2.323 8.283 -6.778 1.00 -0.09 H new ATOM 0 HD12 ILE A 29 -3.708 7.286 -7.279 1.00 -0.09 H new ATOM 0 HD13 ILE A 29 -3.970 8.953 -6.715 1.00 -0.09 H new ATOM 471 N ILE A 30 -6.885 7.629 -2.058 1.00 -0.46 N ATOM 472 CA ILE A 30 -8.246 7.792 -1.569 1.00 0.04 C ATOM 473 C ILE A 30 -8.888 8.967 -2.310 1.00 0.62 C ATOM 474 O ILE A 30 -8.554 10.122 -2.053 1.00 -0.50 O ATOM 475 CB ILE A 30 -8.262 8.013 -0.041 1.00 -0.01 C ATOM 476 CG1 ILE A 30 -7.549 6.861 0.694 1.00 -0.05 C ATOM 477 CG2 ILE A 30 -9.717 8.154 0.441 1.00 -0.09 C ATOM 478 CD1 ILE A 30 -7.634 6.986 2.218 1.00 -0.09 C ATOM 0 H ILE A 30 -6.282 8.416 -1.818 1.00 -0.46 H new ATOM 0 HA ILE A 30 -8.819 6.885 -1.761 1.00 0.04 H new ATOM 0 HB ILE A 30 -7.720 8.930 0.188 1.00 -0.01 H new ATOM 0 HG12 ILE A 30 -7.990 5.912 0.387 1.00 -0.05 H new ATOM 0 HG13 ILE A 30 -6.501 6.838 0.394 1.00 -0.05 H new ATOM 0 HG21 ILE A 30 -9.729 8.310 1.520 1.00 -0.09 H new ATOM 0 HG22 ILE A 30 -10.183 9.006 -0.054 1.00 -0.09 H new ATOM 0 HG23 ILE A 30 -10.270 7.246 0.199 1.00 -0.09 H new ATOM 0 HD11 ILE A 30 -7.115 6.147 2.681 1.00 -0.09 H new ATOM 0 HD12 ILE A 30 -7.168 7.920 2.533 1.00 -0.09 H new ATOM 0 HD13 ILE A 30 -8.680 6.980 2.526 1.00 -0.09 H new ATOM 490 N TYR A 31 -9.841 8.663 -3.197 1.00 -0.46 N ATOM 491 CA TYR A 31 -10.742 9.635 -3.798 1.00 0.04 C ATOM 492 C TYR A 31 -11.848 9.995 -2.801 1.00 0.62 C ATOM 493 O TYR A 31 -12.129 9.250 -1.862 1.00 -0.50 O ATOM 494 CB TYR A 31 -11.352 9.059 -5.085 1.00 -0.10 C ATOM 495 CG TYR A 31 -10.399 8.973 -6.262 1.00 -0.03 C ATOM 496 CD1 TYR A 31 -9.399 7.982 -6.300 1.00 0.00 C ATOM 497 CD2 TYR A 31 -10.518 9.885 -7.328 1.00 0.00 C ATOM 498 CE1 TYR A 31 -8.485 7.946 -7.366 1.00 -0.26 C ATOM 499 CE2 TYR A 31 -9.613 9.837 -8.401 1.00 -0.26 C ATOM 500 CZ TYR A 31 -8.587 8.877 -8.414 1.00 0.46 C ATOM 501 OH TYR A 31 -7.687 8.853 -9.439 1.00 -0.53 O ATOM 0 H TYR A 31 -10.006 7.710 -3.521 1.00 -0.46 H new ATOM 0 HA TYR A 31 -10.184 10.537 -4.050 1.00 0.04 H new ATOM 0 HB2 TYR A 31 -11.735 8.061 -4.873 1.00 -0.10 H new ATOM 0 HB3 TYR A 31 -12.205 9.673 -5.372 1.00 -0.10 H new ATOM 0 HD1 TYR A 31 -9.335 7.249 -5.509 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -11.307 10.623 -7.321 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.703 7.202 -7.380 1.00 -0.26 H new ATOM 0 HE2 TYR A 31 -9.706 10.539 -9.217 1.00 -0.26 H new ATOM 0 HH TYR A 31 -7.902 9.563 -10.080 1.00 -0.53 H new ATOM 511 N GLY A 32 -12.488 11.148 -3.019 1.00 -0.46 N ATOM 512 CA GLY A 32 -13.598 11.609 -2.207 1.00 0.04 C ATOM 513 C GLY A 32 -14.222 12.840 -2.855 1.00 0.62 C ATOM 514 O GLY A 32 -13.505 13.689 -3.383 1.00 -0.50 O ATOM 0 H GLY A 32 -12.241 11.788 -3.774 1.00 -0.46 H new ATOM 0 HA2 GLY A 32 -14.343 10.820 -2.108 1.00 0.04 H new ATOM 0 HA3 GLY A 32 -13.252 11.849 -1.202 1.00 0.04 H new ATOM 518 N GLY A 33 -15.557 12.934 -2.815 1.00 -0.46 N ATOM 519 CA GLY A 33 -16.306 14.044 -3.385 1.00 0.04 C ATOM 520 C GLY A 33 -16.237 15.261 -2.465 1.00 0.62 C ATOM 521 O GLY A 33 -17.244 15.653 -1.879 1.00 -0.50 O ATOM 0 H GLY A 33 -16.149 12.228 -2.378 1.00 -0.46 H new ATOM 0 HA2 GLY A 33 -15.903 14.298 -4.365 1.00 0.04 H new ATOM 0 HA3 GLY A 33 -17.345 13.751 -3.534 1.00 0.04 H new ATOM 525 N LYS A 34 -15.040 15.843 -2.332 1.00 -0.46 N ATOM 526 CA LYS A 34 -14.785 16.980 -1.459 1.00 0.04 C ATOM 527 C LYS A 34 -13.431 17.624 -1.771 1.00 0.62 C ATOM 528 O LYS A 34 -13.313 18.846 -1.721 1.00 -0.50 O ATOM 529 CB LYS A 34 -14.844 16.549 0.021 1.00 -0.10 C ATOM 530 CG LYS A 34 -15.632 17.582 0.836 1.00 -0.16 C ATOM 531 CD LYS A 34 -15.610 17.292 2.342 1.00 -0.18 C ATOM 532 CE LYS A 34 -14.275 17.694 2.980 1.00 -0.04 C ATOM 533 NZ LYS A 34 -14.317 17.563 4.447 1.00 -0.14 N ATOM 0 H LYS A 34 -14.213 15.528 -2.838 1.00 -0.46 H new ATOM 0 HA LYS A 34 -15.563 17.722 -1.640 1.00 0.04 H new ATOM 0 HB2 LYS A 34 -15.316 15.570 0.105 1.00 -0.10 H new ATOM 0 HB3 LYS A 34 -13.835 16.451 0.421 1.00 -0.10 H new ATOM 0 HG2 LYS A 34 -15.217 18.574 0.655 1.00 -0.16 H new ATOM 0 HG3 LYS A 34 -16.665 17.600 0.489 1.00 -0.16 H new ATOM 0 HD2 LYS A 34 -16.422 17.832 2.828 1.00 -0.18 H new ATOM 0 HD3 LYS A 34 -15.788 16.230 2.510 1.00 -0.18 H new ATOM 0 HE2 LYS A 34 -13.477 17.069 2.580 1.00 -0.04 H new ATOM 0 HE3 LYS A 34 -14.038 18.724 2.712 1.00 -0.04 H new ATOM 0 HZ1 LYS A 34 -13.399 17.843 4.847 1.00 -0.14 H new ATOM 0 HZ2 LYS A 34 -15.063 18.179 4.829 1.00 -0.14 H new ATOM 0 HZ3 LYS A 34 -14.519 16.575 4.702 1.00 -0.14 H new ATOM 547 N GLU A 35 -12.412 16.799 -2.044 1.00 -0.46 N ATOM 548 CA GLU A 35 -11.020 17.217 -2.147 1.00 0.04 C ATOM 549 C GLU A 35 -10.310 16.362 -3.200 1.00 0.62 C ATOM 550 O GLU A 35 -10.794 15.290 -3.561 1.00 -0.50 O ATOM 551 CB GLU A 35 -10.384 17.066 -0.755 1.00 -0.18 C ATOM 552 CG GLU A 35 -9.006 17.728 -0.614 1.00 -0.40 C ATOM 553 CD GLU A 35 -8.471 17.593 0.810 1.00 0.71 C ATOM 554 OE1 GLU A 35 -9.240 17.907 1.745 1.00 -0.72 O ATOM 555 OE2 GLU A 35 -7.303 17.169 0.942 1.00 -0.72 O ATOM 0 H GLU A 35 -12.543 15.800 -2.202 1.00 -0.46 H new ATOM 0 HA GLU A 35 -10.934 18.256 -2.464 1.00 0.04 H new ATOM 0 HB2 GLU A 35 -11.057 17.494 -0.013 1.00 -0.18 H new ATOM 0 HB3 GLU A 35 -10.289 16.005 -0.525 1.00 -0.18 H new ATOM 0 HG2 GLU A 35 -8.306 17.270 -1.313 1.00 -0.40 H new ATOM 0 HG3 GLU A 35 -9.077 18.783 -0.880 1.00 -0.40 H new ATOM 562 N ALA A 36 -9.158 16.842 -3.687 1.00 -0.46 N ATOM 563 CA ALA A 36 -8.295 16.120 -4.614 1.00 0.04 C ATOM 564 C ALA A 36 -7.908 14.751 -4.037 1.00 0.62 C ATOM 565 O ALA A 36 -7.802 14.612 -2.818 1.00 -0.50 O ATOM 566 CB ALA A 36 -7.049 16.965 -4.897 1.00 -0.10 C ATOM 0 H ALA A 36 -8.798 17.763 -3.438 1.00 -0.46 H new ATOM 0 HA ALA A 36 -8.830 15.945 -5.548 1.00 0.04 H new ATOM 0 HB1 ALA A 36 -6.398 16.432 -5.590 1.00 -0.10 H new ATOM 0 HB2 ALA A 36 -7.347 17.916 -5.338 1.00 -0.10 H new ATOM 0 HB3 ALA A 36 -6.515 17.149 -3.965 1.00 -0.10 H new ATOM 572 N PRO A 37 -7.711 13.729 -4.888 1.00 -0.23 N ATOM 573 CA PRO A 37 -7.485 12.360 -4.452 1.00 0.04 C ATOM 574 C PRO A 37 -6.098 12.203 -3.819 1.00 0.53 C ATOM 575 O PRO A 37 -5.098 12.055 -4.520 1.00 -0.50 O ATOM 576 CB PRO A 37 -7.672 11.511 -5.712 1.00 -0.12 C ATOM 577 CG PRO A 37 -7.282 12.453 -6.847 1.00 -0.12 C ATOM 578 CD PRO A 37 -7.801 13.795 -6.339 1.00 -0.01 C ATOM 0 HA PRO A 37 -8.176 12.047 -3.670 1.00 0.04 H new ATOM 0 HB2 PRO A 37 -7.040 10.623 -5.694 1.00 -0.12 H new ATOM 0 HB3 PRO A 37 -8.701 11.167 -5.813 1.00 -0.12 H new ATOM 0 HG2 PRO A 37 -6.205 12.468 -7.012 1.00 -0.12 H new ATOM 0 HG3 PRO A 37 -7.745 12.168 -7.791 1.00 -0.12 H new ATOM 0 HD2 PRO A 37 -7.205 14.619 -6.731 1.00 -0.01 H new ATOM 0 HD3 PRO A 37 -8.829 13.964 -6.660 1.00 -0.01 H new ATOM 586 N LEU A 38 -6.050 12.243 -2.481 1.00 -0.46 N ATOM 587 CA LEU A 38 -4.821 12.175 -1.698 1.00 0.04 C ATOM 588 C LEU A 38 -4.196 10.779 -1.755 1.00 0.62 C ATOM 589 O LEU A 38 -4.906 9.793 -1.940 1.00 -0.50 O ATOM 590 CB LEU A 38 -5.092 12.651 -0.260 1.00 -0.06 C ATOM 591 CG LEU A 38 -6.092 11.791 0.541 1.00 -0.01 C ATOM 592 CD1 LEU A 38 -5.400 10.657 1.310 1.00 -0.11 C ATOM 593 CD2 LEU A 38 -6.828 12.677 1.553 1.00 -0.11 C ATOM 0 H LEU A 38 -6.887 12.326 -1.905 1.00 -0.46 H new ATOM 0 HA LEU A 38 -4.083 12.848 -2.134 1.00 0.04 H new ATOM 0 HB2 LEU A 38 -4.146 12.678 0.281 1.00 -0.06 H new ATOM 0 HB3 LEU A 38 -5.466 13.674 -0.298 1.00 -0.06 H new ATOM 0 HG LEU A 38 -6.783 11.348 -0.176 1.00 -0.01 H new ATOM 0 HD11 LEU A 38 -6.146 10.081 1.858 1.00 -0.11 H new ATOM 0 HD12 LEU A 38 -4.881 10.005 0.608 1.00 -0.11 H new ATOM 0 HD13 LEU A 38 -4.681 11.079 2.012 1.00 -0.11 H new ATOM 0 HD21 LEU A 38 -7.535 12.072 2.120 1.00 -0.11 H new ATOM 0 HD22 LEU A 38 -6.107 13.127 2.235 1.00 -0.11 H new ATOM 0 HD23 LEU A 38 -7.366 13.464 1.024 1.00 -0.11 H new ATOM 605 N ALA A 39 -2.866 10.711 -1.600 1.00 -0.46 N ATOM 606 CA ALA A 39 -2.080 9.487 -1.712 1.00 0.04 C ATOM 607 C ALA A 39 -1.531 9.048 -0.352 1.00 0.62 C ATOM 608 O ALA A 39 -1.260 9.883 0.511 1.00 -0.50 O ATOM 609 CB ALA A 39 -0.943 9.698 -2.710 1.00 -0.10 C ATOM 0 H ALA A 39 -2.298 11.531 -1.388 1.00 -0.46 H new ATOM 0 HA ALA A 39 -2.731 8.690 -2.072 1.00 0.04 H new ATOM 0 HB1 ALA A 39 -0.357 8.783 -2.793 1.00 -0.10 H new ATOM 0 HB2 ALA A 39 -1.358 9.953 -3.685 1.00 -0.10 H new ATOM 0 HB3 ALA A 39 -0.302 10.509 -2.365 1.00 -0.10 H new ATOM 615 N ILE A 40 -1.367 7.730 -0.179 1.00 -0.46 N ATOM 616 CA ILE A 40 -0.952 7.095 1.064 1.00 0.04 C ATOM 617 C ILE A 40 -0.035 5.897 0.797 1.00 0.62 C ATOM 618 O ILE A 40 0.005 5.358 -0.308 1.00 -0.50 O ATOM 619 CB ILE A 40 -2.187 6.655 1.876 1.00 -0.01 C ATOM 620 CG1 ILE A 40 -3.112 5.751 1.040 1.00 -0.05 C ATOM 621 CG2 ILE A 40 -2.939 7.876 2.421 1.00 -0.09 C ATOM 622 CD1 ILE A 40 -4.187 5.083 1.896 1.00 -0.09 C ATOM 0 H ILE A 40 -1.527 7.059 -0.931 1.00 -0.46 H new ATOM 0 HA ILE A 40 -0.388 7.825 1.644 1.00 0.04 H new ATOM 0 HB ILE A 40 -1.842 6.067 2.726 1.00 -0.01 H new ATOM 0 HG12 ILE A 40 -3.587 6.343 0.258 1.00 -0.05 H new ATOM 0 HG13 ILE A 40 -2.517 4.985 0.542 1.00 -0.05 H new ATOM 0 HG21 ILE A 40 -3.807 7.544 2.991 1.00 -0.09 H new ATOM 0 HG22 ILE A 40 -2.278 8.451 3.069 1.00 -0.09 H new ATOM 0 HG23 ILE A 40 -3.267 8.501 1.591 1.00 -0.09 H new ATOM 0 HD11 ILE A 40 -4.816 4.455 1.265 1.00 -0.09 H new ATOM 0 HD12 ILE A 40 -3.713 4.469 2.662 1.00 -0.09 H new ATOM 0 HD13 ILE A 40 -4.800 5.848 2.373 1.00 -0.09 H new ATOM 634 N GLU A 41 0.670 5.477 1.853 1.00 -0.46 N ATOM 635 CA GLU A 41 1.400 4.220 1.952 1.00 0.04 C ATOM 636 C GLU A 41 0.417 3.089 2.281 1.00 0.62 C ATOM 637 O GLU A 41 -0.590 3.337 2.942 1.00 -0.50 O ATOM 638 CB GLU A 41 2.443 4.368 3.074 1.00 -0.18 C ATOM 639 CG GLU A 41 3.780 4.916 2.557 1.00 -0.40 C ATOM 640 CD GLU A 41 4.688 3.801 2.048 1.00 0.71 C ATOM 641 OE1 GLU A 41 4.386 3.260 0.963 1.00 -0.72 O ATOM 642 OE2 GLU A 41 5.649 3.480 2.781 1.00 -0.72 O ATOM 0 H GLU A 41 0.747 6.037 2.702 1.00 -0.46 H new ATOM 0 HA GLU A 41 1.898 3.982 1.012 1.00 0.04 H new ATOM 0 HB2 GLU A 41 2.053 5.034 3.844 1.00 -0.18 H new ATOM 0 HB3 GLU A 41 2.608 3.399 3.544 1.00 -0.18 H new ATOM 0 HG2 GLU A 41 3.595 5.629 1.754 1.00 -0.40 H new ATOM 0 HG3 GLU A 41 4.284 5.459 3.356 1.00 -0.40 H new ATOM 649 N LEU A 42 0.705 1.857 1.828 1.00 -0.46 N ATOM 650 CA LEU A 42 -0.150 0.693 2.067 1.00 0.04 C ATOM 651 C LEU A 42 0.683 -0.597 2.105 1.00 0.62 C ATOM 652 O LEU A 42 1.258 -0.993 1.093 1.00 -0.50 O ATOM 653 CB LEU A 42 -1.254 0.632 0.995 1.00 -0.06 C ATOM 654 CG LEU A 42 -2.636 0.324 1.595 1.00 -0.01 C ATOM 655 CD1 LEU A 42 -3.188 1.532 2.360 1.00 -0.11 C ATOM 656 CD2 LEU A 42 -3.617 -0.015 0.473 1.00 -0.11 C ATOM 0 H LEU A 42 1.542 1.645 1.284 1.00 -0.46 H new ATOM 0 HA LEU A 42 -0.628 0.791 3.042 1.00 0.04 H new ATOM 0 HB2 LEU A 42 -1.295 1.583 0.465 1.00 -0.06 H new ATOM 0 HB3 LEU A 42 -1.001 -0.132 0.260 1.00 -0.06 H new ATOM 0 HG LEU A 42 -2.523 -0.516 2.280 1.00 -0.01 H new ATOM 0 HD11 LEU A 42 -4.166 1.285 2.773 1.00 -0.11 H new ATOM 0 HD12 LEU A 42 -2.507 1.792 3.170 1.00 -0.11 H new ATOM 0 HD13 LEU A 42 -3.284 2.379 1.681 1.00 -0.11 H new ATOM 0 HD21 LEU A 42 -4.596 -0.233 0.899 1.00 -0.11 H new ATOM 0 HD22 LEU A 42 -3.698 0.832 -0.208 1.00 -0.11 H new ATOM 0 HD23 LEU A 42 -3.257 -0.886 -0.074 1.00 -0.11 H new ATOM 668 N ASP A 43 0.750 -1.239 3.281 1.00 -0.46 N ATOM 669 CA ASP A 43 1.595 -2.398 3.569 1.00 0.04 C ATOM 670 C ASP A 43 1.082 -3.660 2.870 1.00 0.62 C ATOM 671 O ASP A 43 0.065 -4.214 3.285 1.00 -0.50 O ATOM 672 CB ASP A 43 1.672 -2.604 5.088 1.00 -0.40 C ATOM 673 CG ASP A 43 2.298 -1.399 5.786 1.00 0.71 C ATOM 674 OD1 ASP A 43 3.546 -1.352 5.837 1.00 -0.72 O ATOM 675 OD2 ASP A 43 1.516 -0.531 6.230 1.00 -0.72 O ATOM 0 H ASP A 43 0.194 -0.950 4.086 1.00 -0.46 H new ATOM 0 HA ASP A 43 2.595 -2.205 3.179 1.00 0.04 H new ATOM 0 HB2 ASP A 43 0.671 -2.775 5.484 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 2.258 -3.497 5.306 1.00 -0.40 H new ATOM 680 N HIS A 44 1.803 -4.115 1.832 1.00 -0.46 N ATOM 681 CA HIS A 44 1.463 -5.269 0.999 1.00 0.04 C ATOM 682 C HIS A 44 1.706 -6.581 1.753 1.00 0.62 C ATOM 683 O HIS A 44 2.641 -7.321 1.452 1.00 -0.50 O ATOM 684 CB HIS A 44 2.267 -5.202 -0.309 1.00 -0.10 C ATOM 685 CG HIS A 44 1.845 -6.170 -1.392 1.00 -0.03 C ATOM 686 ND1 HIS A 44 1.413 -7.465 -1.211 1.00 -0.15 N ATOM 687 CD2 HIS A 44 1.978 -5.971 -2.742 1.00 0.20 C ATOM 688 CE1 HIS A 44 1.283 -8.024 -2.426 1.00 0.24 C ATOM 689 NE2 HIS A 44 1.611 -7.152 -3.392 1.00 -0.50 N ATOM 0 H HIS A 44 2.673 -3.667 1.543 1.00 -0.46 H new ATOM 0 HA HIS A 44 0.401 -5.241 0.755 1.00 0.04 H new ATOM 0 HB2 HIS A 44 2.196 -4.189 -0.706 1.00 -0.10 H new ATOM 0 HB3 HIS A 44 3.317 -5.381 -0.077 1.00 -0.10 H new ATOM 0 HD1 HIS A 44 1.226 -7.918 -0.316 1.00 -0.15 H new ATOM 0 HD2 HIS A 44 2.309 -5.060 -3.219 1.00 0.20 H new ATOM 0 HE1 HIS A 44 0.958 -9.039 -2.602 1.00 0.24 H new ATOM 697 N ASP A 45 0.829 -6.873 2.714 1.00 -0.46 N ATOM 698 CA ASP A 45 0.838 -8.089 3.507 1.00 0.04 C ATOM 699 C ASP A 45 -0.519 -8.193 4.195 1.00 0.62 C ATOM 700 O ASP A 45 -1.347 -9.025 3.831 1.00 -0.50 O ATOM 701 CB ASP A 45 1.996 -8.051 4.516 1.00 -0.40 C ATOM 702 CG ASP A 45 1.889 -9.181 5.535 1.00 0.71 C ATOM 703 OD1 ASP A 45 2.129 -10.338 5.129 1.00 -0.72 O ATOM 704 OD2 ASP A 45 1.553 -8.866 6.699 1.00 -0.72 O ATOM 0 H ASP A 45 0.068 -6.242 2.966 1.00 -0.46 H new ATOM 0 HA ASP A 45 0.996 -8.970 2.884 1.00 0.04 H new ATOM 0 HB2 ASP A 45 2.945 -8.128 3.985 1.00 -0.40 H new ATOM 0 HB3 ASP A 45 1.997 -7.092 5.034 1.00 -0.40 H new ATOM 709 N LYS A 46 -0.756 -7.311 5.168 1.00 -0.46 N ATOM 710 CA LYS A 46 -2.009 -7.251 5.895 1.00 0.04 C ATOM 711 C LYS A 46 -3.141 -6.854 4.945 1.00 0.62 C ATOM 712 O LYS A 46 -4.196 -7.486 4.952 1.00 -0.50 O ATOM 713 CB LYS A 46 -1.855 -6.293 7.082 1.00 -0.10 C ATOM 714 CG LYS A 46 -3.054 -6.386 8.029 1.00 -0.16 C ATOM 715 CD LYS A 46 -3.002 -5.377 9.184 1.00 -0.18 C ATOM 716 CE LYS A 46 -1.804 -5.565 10.126 1.00 -0.04 C ATOM 717 NZ LYS A 46 -0.606 -4.838 9.670 1.00 -0.14 N ATOM 0 H LYS A 46 -0.073 -6.616 5.470 1.00 -0.46 H new ATOM 0 HA LYS A 46 -2.270 -8.229 6.299 1.00 0.04 H new ATOM 0 HB2 LYS A 46 -0.940 -6.528 7.626 1.00 -0.10 H new ATOM 0 HB3 LYS A 46 -1.755 -5.271 6.717 1.00 -0.10 H new ATOM 0 HG2 LYS A 46 -3.970 -6.227 7.460 1.00 -0.16 H new ATOM 0 HG3 LYS A 46 -3.105 -7.394 8.440 1.00 -0.16 H new ATOM 0 HD2 LYS A 46 -2.971 -4.369 8.771 1.00 -0.18 H new ATOM 0 HD3 LYS A 46 -3.922 -5.456 9.763 1.00 -0.18 H new ATOM 0 HE2 LYS A 46 -2.074 -5.222 11.125 1.00 -0.04 H new ATOM 0 HE3 LYS A 46 -1.572 -6.627 10.205 1.00 -0.04 H new ATOM 0 HZ1 LYS A 46 0.200 -5.494 9.620 1.00 -0.14 H new ATOM 0 HZ2 LYS A 46 -0.783 -4.434 8.728 1.00 -0.14 H new ATOM 0 HZ3 LYS A 46 -0.388 -4.073 10.340 1.00 -0.14 H new ATOM 731 N VAL A 47 -2.912 -5.836 4.103 1.00 -0.46 N ATOM 732 CA VAL A 47 -3.893 -5.405 3.115 1.00 0.04 C ATOM 733 C VAL A 47 -4.144 -6.496 2.069 1.00 0.62 C ATOM 734 O VAL A 47 -5.274 -6.652 1.619 1.00 -0.50 O ATOM 735 CB VAL A 47 -3.487 -4.065 2.481 1.00 -0.01 C ATOM 736 CG1 VAL A 47 -2.415 -4.222 1.397 1.00 -0.09 C ATOM 737 CG2 VAL A 47 -4.714 -3.388 1.860 1.00 -0.09 C ATOM 0 H VAL A 47 -2.047 -5.296 4.093 1.00 -0.46 H new ATOM 0 HA VAL A 47 -4.841 -5.238 3.627 1.00 0.04 H new ATOM 0 HB VAL A 47 -3.069 -3.455 3.282 1.00 -0.01 H new ATOM 0 HG11 VAL A 47 -2.168 -3.244 0.985 1.00 -0.09 H new ATOM 0 HG12 VAL A 47 -1.521 -4.669 1.832 1.00 -0.09 H new ATOM 0 HG13 VAL A 47 -2.793 -4.865 0.602 1.00 -0.09 H new ATOM 0 HG21 VAL A 47 -4.418 -2.439 1.413 1.00 -0.09 H new ATOM 0 HG22 VAL A 47 -5.137 -4.035 1.092 1.00 -0.09 H new ATOM 0 HG23 VAL A 47 -5.460 -3.208 2.634 1.00 -0.09 H new ATOM 747 N MET A 48 -3.106 -7.253 1.688 1.00 -0.46 N ATOM 748 CA MET A 48 -3.211 -8.322 0.702 1.00 0.04 C ATOM 749 C MET A 48 -4.222 -9.379 1.160 1.00 0.62 C ATOM 750 O MET A 48 -4.994 -9.885 0.348 1.00 -0.50 O ATOM 751 CB MET A 48 -1.818 -8.912 0.439 1.00 -0.15 C ATOM 752 CG MET A 48 -1.745 -9.928 -0.710 1.00 -0.05 C ATOM 753 SD MET A 48 -1.965 -9.295 -2.401 1.00 0.74 S ATOM 754 CE MET A 48 -3.730 -9.566 -2.693 1.00 -0.13 C ATOM 0 H MET A 48 -2.165 -7.135 2.062 1.00 -0.46 H new ATOM 0 HA MET A 48 -3.586 -7.923 -0.240 1.00 0.04 H new ATOM 0 HB2 MET A 48 -1.129 -8.095 0.224 1.00 -0.15 H new ATOM 0 HB3 MET A 48 -1.467 -9.394 1.352 1.00 -0.15 H new ATOM 0 HG2 MET A 48 -0.776 -10.425 -0.660 1.00 -0.05 H new ATOM 0 HG3 MET A 48 -2.504 -10.691 -0.534 1.00 -0.05 H new ATOM 0 HE1 MET A 48 -3.929 -9.546 -3.765 1.00 -0.13 H new ATOM 0 HE2 MET A 48 -4.021 -10.535 -2.288 1.00 -0.13 H new ATOM 0 HE3 MET A 48 -4.305 -8.780 -2.203 1.00 -0.13 H new ATOM 764 N ASN A 49 -4.247 -9.681 2.465 1.00 -0.46 N ATOM 765 CA ASN A 49 -5.253 -10.552 3.060 1.00 0.04 C ATOM 766 C ASN A 49 -6.606 -9.836 3.134 1.00 0.62 C ATOM 767 O ASN A 49 -7.585 -10.321 2.566 1.00 -0.50 O ATOM 768 CB ASN A 49 -4.799 -11.025 4.448 1.00 -0.09 C ATOM 769 CG ASN A 49 -3.704 -12.087 4.357 1.00 0.68 C ATOM 770 OD1 ASN A 49 -3.990 -13.279 4.434 1.00 -0.47 O ATOM 771 ND2 ASN A 49 -2.447 -11.668 4.201 1.00 -0.87 N ATOM 0 H ASN A 49 -3.565 -9.324 3.134 1.00 -0.46 H new ATOM 0 HA ASN A 49 -5.373 -11.431 2.427 1.00 0.04 H new ATOM 0 HB2 ASN A 49 -4.432 -10.173 5.020 1.00 -0.09 H new ATOM 0 HB3 ASN A 49 -5.653 -11.429 4.991 1.00 -0.09 H new ATOM 0 HD21 ASN A 49 -1.687 -12.346 4.142 1.00 -0.87 H new ATOM 0 HD22 ASN A 49 -2.246 -10.670 4.141 1.00 -0.87 H new ATOM 778 N MET A 50 -6.663 -8.697 3.837 1.00 -0.46 N ATOM 779 CA MET A 50 -7.896 -7.966 4.125 1.00 0.04 C ATOM 780 C MET A 50 -8.705 -7.627 2.869 1.00 0.62 C ATOM 781 O MET A 50 -9.934 -7.625 2.925 1.00 -0.50 O ATOM 782 CB MET A 50 -7.586 -6.680 4.902 1.00 -0.15 C ATOM 783 CG MET A 50 -7.242 -6.958 6.369 1.00 -0.05 C ATOM 784 SD MET A 50 -6.803 -5.474 7.312 1.00 0.74 S ATOM 785 CE MET A 50 -6.708 -6.165 8.980 1.00 -0.13 C ATOM 0 H MET A 50 -5.833 -8.252 4.228 1.00 -0.46 H new ATOM 0 HA MET A 50 -8.511 -8.631 4.732 1.00 0.04 H new ATOM 0 HB2 MET A 50 -6.752 -6.163 4.427 1.00 -0.15 H new ATOM 0 HB3 MET A 50 -8.446 -6.012 4.853 1.00 -0.15 H new ATOM 0 HG2 MET A 50 -8.094 -7.442 6.847 1.00 -0.05 H new ATOM 0 HG3 MET A 50 -6.411 -7.662 6.410 1.00 -0.05 H new ATOM 0 HE1 MET A 50 -6.446 -5.377 9.686 1.00 -0.13 H new ATOM 0 HE2 MET A 50 -7.674 -6.590 9.253 1.00 -0.13 H new ATOM 0 HE3 MET A 50 -5.947 -6.945 9.008 1.00 -0.13 H new ATOM 795 N GLN A 51 -8.035 -7.336 1.747 1.00 -0.46 N ATOM 796 CA GLN A 51 -8.701 -6.916 0.524 1.00 0.04 C ATOM 797 C GLN A 51 -9.635 -7.981 -0.054 1.00 0.62 C ATOM 798 O GLN A 51 -10.536 -7.624 -0.810 1.00 -0.50 O ATOM 799 CB GLN A 51 -7.697 -6.402 -0.517 1.00 -0.10 C ATOM 800 CG GLN A 51 -6.867 -7.521 -1.166 1.00 -0.10 C ATOM 801 CD GLN A 51 -7.165 -7.709 -2.657 1.00 0.68 C ATOM 802 OE1 GLN A 51 -6.248 -7.731 -3.473 1.00 -0.47 O ATOM 803 NE2 GLN A 51 -8.439 -7.849 -3.029 1.00 -0.87 N ATOM 0 H GLN A 51 -7.019 -7.387 1.669 1.00 -0.46 H new ATOM 0 HA GLN A 51 -9.345 -6.081 0.800 1.00 0.04 H new ATOM 0 HB2 GLN A 51 -8.236 -5.861 -1.295 1.00 -0.10 H new ATOM 0 HB3 GLN A 51 -7.024 -5.689 -0.041 1.00 -0.10 H new ATOM 0 HG2 GLN A 51 -5.808 -7.298 -1.040 1.00 -0.10 H new ATOM 0 HG3 GLN A 51 -7.060 -8.458 -0.643 1.00 -0.10 H new ATOM 0 HE21 GLN A 51 -9.180 -7.827 -2.329 1.00 -0.87 H new ATOM 0 HE22 GLN A 51 -8.671 -7.978 -4.014 1.00 -0.87 H new ATOM 812 N ALA A 52 -9.403 -9.264 0.274 1.00 -0.46 N ATOM 813 CA ALA A 52 -10.213 -10.417 -0.110 1.00 0.04 C ATOM 814 C ALA A 52 -10.822 -10.274 -1.513 1.00 0.62 C ATOM 815 O ALA A 52 -10.086 -10.365 -2.494 1.00 -0.50 O ATOM 816 CB ALA A 52 -11.239 -10.702 0.995 1.00 -0.10 C ATOM 0 H ALA A 52 -8.601 -9.531 0.845 1.00 -0.46 H new ATOM 0 HA ALA A 52 -9.571 -11.293 -0.198 1.00 0.04 H new ATOM 0 HB1 ALA A 52 -11.847 -11.562 0.714 1.00 -0.10 H new ATOM 0 HB2 ALA A 52 -10.718 -10.915 1.929 1.00 -0.10 H new ATOM 0 HB3 ALA A 52 -11.881 -9.832 1.128 1.00 -0.10 H new ATOM 822 N LYS A 53 -12.141 -10.039 -1.591 1.00 -0.46 N ATOM 823 CA LYS A 53 -12.934 -9.701 -2.773 1.00 0.04 C ATOM 824 C LYS A 53 -14.415 -9.847 -2.409 1.00 0.62 C ATOM 825 O LYS A 53 -14.768 -10.771 -1.678 1.00 -0.50 O ATOM 826 CB LYS A 53 -12.575 -10.539 -4.016 1.00 -0.10 C ATOM 827 CG LYS A 53 -12.610 -12.056 -3.768 1.00 -0.16 C ATOM 828 CD LYS A 53 -12.098 -12.864 -4.972 1.00 -0.18 C ATOM 829 CE LYS A 53 -10.641 -12.575 -5.365 1.00 -0.04 C ATOM 830 NZ LYS A 53 -9.720 -12.640 -4.215 1.00 -0.14 N ATOM 0 H LYS A 53 -12.725 -10.086 -0.756 1.00 -0.46 H new ATOM 0 HA LYS A 53 -12.707 -8.673 -3.056 1.00 0.04 H new ATOM 0 HB2 LYS A 53 -13.268 -10.295 -4.821 1.00 -0.10 H new ATOM 0 HB3 LYS A 53 -11.579 -10.258 -4.358 1.00 -0.10 H new ATOM 0 HG2 LYS A 53 -12.004 -12.291 -2.893 1.00 -0.16 H new ATOM 0 HG3 LYS A 53 -13.632 -12.360 -3.539 1.00 -0.16 H new ATOM 0 HD2 LYS A 53 -12.196 -13.926 -4.748 1.00 -0.18 H new ATOM 0 HD3 LYS A 53 -12.739 -12.659 -5.829 1.00 -0.18 H new ATOM 0 HE2 LYS A 53 -10.323 -13.293 -6.121 1.00 -0.04 H new ATOM 0 HE3 LYS A 53 -10.580 -11.586 -5.819 1.00 -0.04 H new ATOM 0 HZ1 LYS A 53 -8.738 -12.658 -4.557 1.00 -0.14 H new ATOM 0 HZ2 LYS A 53 -9.861 -11.806 -3.610 1.00 -0.14 H new ATOM 0 HZ3 LYS A 53 -9.911 -13.502 -3.666 1.00 -0.14 H new ATOM 844 N ALA A 54 -15.262 -8.930 -2.903 1.00 -0.46 N ATOM 845 CA ALA A 54 -16.713 -8.884 -2.697 1.00 0.04 C ATOM 846 C ALA A 54 -17.095 -8.429 -1.282 1.00 0.62 C ATOM 847 O ALA A 54 -17.836 -7.460 -1.121 1.00 -0.50 O ATOM 848 CB ALA A 54 -17.386 -10.208 -3.083 1.00 -0.10 C ATOM 0 H ALA A 54 -14.933 -8.161 -3.487 1.00 -0.46 H new ATOM 0 HA ALA A 54 -17.099 -8.121 -3.373 1.00 0.04 H new ATOM 0 HB1 ALA A 54 -18.460 -10.132 -2.916 1.00 -0.10 H new ATOM 0 HB2 ALA A 54 -17.197 -10.419 -4.135 1.00 -0.10 H new ATOM 0 HB3 ALA A 54 -16.980 -11.014 -2.472 1.00 -0.10 H new ATOM 854 N GLU A 55 -16.574 -9.118 -0.261 1.00 -0.46 N ATOM 855 CA GLU A 55 -16.654 -8.726 1.139 1.00 0.04 C ATOM 856 C GLU A 55 -16.150 -7.289 1.307 1.00 0.62 C ATOM 857 O GLU A 55 -16.822 -6.454 1.913 1.00 -0.50 O ATOM 858 CB GLU A 55 -15.811 -9.717 1.954 1.00 -0.18 C ATOM 859 CG GLU A 55 -15.839 -9.434 3.459 1.00 -0.40 C ATOM 860 CD GLU A 55 -14.947 -10.422 4.203 1.00 0.71 C ATOM 861 OE1 GLU A 55 -15.467 -11.498 4.571 1.00 -0.72 O ATOM 862 OE2 GLU A 55 -13.754 -10.092 4.373 1.00 -0.72 O ATOM 0 H GLU A 55 -16.069 -9.993 -0.398 1.00 -0.46 H new ATOM 0 HA GLU A 55 -17.684 -8.752 1.494 1.00 0.04 H new ATOM 0 HB2 GLU A 55 -16.175 -10.728 1.774 1.00 -0.18 H new ATOM 0 HB3 GLU A 55 -14.780 -9.682 1.603 1.00 -0.18 H new ATOM 0 HG2 GLU A 55 -15.502 -8.415 3.650 1.00 -0.40 H new ATOM 0 HG3 GLU A 55 -16.861 -9.507 3.830 1.00 -0.40 H new ATOM 869 N PHE A 56 -14.974 -7.008 0.732 1.00 -0.46 N ATOM 870 CA PHE A 56 -14.257 -5.743 0.831 1.00 0.04 C ATOM 871 C PHE A 56 -14.829 -4.686 -0.126 1.00 0.62 C ATOM 872 O PHE A 56 -14.083 -3.965 -0.783 1.00 -0.50 O ATOM 873 CB PHE A 56 -12.782 -6.040 0.530 1.00 -0.10 C ATOM 874 CG PHE A 56 -11.797 -4.959 0.926 1.00 -0.10 C ATOM 875 CD1 PHE A 56 -11.465 -4.801 2.281 1.00 -0.15 C ATOM 876 CD2 PHE A 56 -11.078 -4.253 -0.059 1.00 -0.15 C ATOM 877 CE1 PHE A 56 -10.399 -3.965 2.651 1.00 -0.15 C ATOM 878 CE2 PHE A 56 -9.995 -3.434 0.311 1.00 -0.15 C ATOM 879 CZ PHE A 56 -9.640 -3.312 1.666 1.00 -0.15 C ATOM 0 H PHE A 56 -14.479 -7.692 0.160 1.00 -0.46 H new ATOM 0 HA PHE A 56 -14.366 -5.322 1.831 1.00 0.04 H new ATOM 0 HB2 PHE A 56 -12.505 -6.962 1.041 1.00 -0.10 H new ATOM 0 HB3 PHE A 56 -12.679 -6.225 -0.539 1.00 -0.10 H new ATOM 0 HD1 PHE A 56 -12.030 -5.323 3.039 1.00 -0.15 H new ATOM 0 HD2 PHE A 56 -11.358 -4.340 -1.098 1.00 -0.15 H new ATOM 0 HE1 PHE A 56 -10.162 -3.824 3.695 1.00 -0.15 H new ATOM 0 HE2 PHE A 56 -9.438 -2.900 -0.444 1.00 -0.15 H new ATOM 0 HZ PHE A 56 -8.784 -2.717 1.949 1.00 -0.15 H new ATOM 889 N TYR A 57 -16.159 -4.600 -0.203 1.00 -0.46 N ATOM 890 CA TYR A 57 -16.901 -3.682 -1.051 1.00 0.04 C ATOM 891 C TYR A 57 -18.213 -3.370 -0.335 1.00 0.62 C ATOM 892 O TYR A 57 -18.459 -2.232 0.060 1.00 -0.50 O ATOM 893 CB TYR A 57 -17.167 -4.313 -2.430 1.00 -0.10 C ATOM 894 CG TYR A 57 -16.185 -3.932 -3.520 1.00 -0.03 C ATOM 895 CD1 TYR A 57 -14.944 -4.586 -3.633 1.00 0.00 C ATOM 896 CD2 TYR A 57 -16.552 -2.966 -4.476 1.00 0.00 C ATOM 897 CE1 TYR A 57 -14.031 -4.196 -4.629 1.00 -0.26 C ATOM 898 CE2 TYR A 57 -15.670 -2.631 -5.514 1.00 -0.26 C ATOM 899 CZ TYR A 57 -14.386 -3.199 -5.556 1.00 0.46 C ATOM 900 OH TYR A 57 -13.486 -2.779 -6.490 1.00 -0.53 O ATOM 0 H TYR A 57 -16.770 -5.199 0.352 1.00 -0.46 H new ATOM 0 HA TYR A 57 -16.332 -2.768 -1.222 1.00 0.04 H new ATOM 0 HB2 TYR A 57 -17.161 -5.398 -2.322 1.00 -0.10 H new ATOM 0 HB3 TYR A 57 -18.169 -4.031 -2.753 1.00 -0.10 H new ATOM 0 HD1 TYR A 57 -14.693 -5.388 -2.954 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -17.515 -2.482 -4.410 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -13.058 -4.662 -4.682 1.00 -0.26 H new ATOM 0 HE2 TYR A 57 -15.978 -1.936 -6.281 1.00 -0.26 H new ATOM 0 HH TYR A 57 -13.769 -1.913 -6.851 1.00 -0.53 H new ATOM 910 N SER A 58 -19.052 -4.401 -0.173 1.00 -0.46 N ATOM 911 CA SER A 58 -20.370 -4.278 0.426 1.00 0.04 C ATOM 912 C SER A 58 -20.263 -3.968 1.920 1.00 0.62 C ATOM 913 O SER A 58 -20.907 -3.037 2.402 1.00 -0.50 O ATOM 914 CB SER A 58 -21.165 -5.564 0.173 1.00 0.02 C ATOM 915 OG SER A 58 -22.487 -5.429 0.649 1.00 -0.55 O ATOM 0 H SER A 58 -18.824 -5.353 -0.461 1.00 -0.46 H new ATOM 0 HA SER A 58 -20.900 -3.445 -0.036 1.00 0.04 H new ATOM 0 HB2 SER A 58 -21.177 -5.787 -0.894 1.00 0.02 H new ATOM 0 HB3 SER A 58 -20.678 -6.404 0.669 1.00 0.02 H new ATOM 0 HG SER A 58 -22.982 -6.257 0.479 1.00 -0.55 H new ATOM 921 N GLU A 59 -19.457 -4.750 2.651 1.00 -0.46 N ATOM 922 CA GLU A 59 -19.411 -4.724 4.109 1.00 0.04 C ATOM 923 C GLU A 59 -18.433 -3.670 4.650 1.00 0.62 C ATOM 924 O GLU A 59 -17.988 -3.783 5.791 1.00 -0.50 O ATOM 925 CB GLU A 59 -19.066 -6.134 4.618 1.00 -0.18 C ATOM 926 CG GLU A 59 -20.072 -7.178 4.109 1.00 -0.40 C ATOM 927 CD GLU A 59 -19.738 -8.580 4.608 1.00 0.71 C ATOM 928 OE1 GLU A 59 -19.609 -8.732 5.842 1.00 -0.72 O ATOM 929 OE2 GLU A 59 -19.629 -9.477 3.744 1.00 -0.72 O ATOM 0 H GLU A 59 -18.814 -5.424 2.236 1.00 -0.46 H new ATOM 0 HA GLU A 59 -20.392 -4.430 4.483 1.00 0.04 H new ATOM 0 HB2 GLU A 59 -18.062 -6.405 4.291 1.00 -0.18 H new ATOM 0 HB3 GLU A 59 -19.057 -6.137 5.708 1.00 -0.18 H new ATOM 0 HG2 GLU A 59 -21.075 -6.905 4.437 1.00 -0.40 H new ATOM 0 HG3 GLU A 59 -20.080 -7.173 3.019 1.00 -0.40 H new ATOM 936 N VAL A 60 -18.124 -2.644 3.841 1.00 -0.46 N ATOM 937 CA VAL A 60 -17.242 -1.516 4.131 1.00 0.04 C ATOM 938 C VAL A 60 -15.844 -1.921 4.624 1.00 0.62 C ATOM 939 O VAL A 60 -15.512 -3.100 4.731 1.00 -0.50 O ATOM 940 CB VAL A 60 -17.936 -0.426 4.981 1.00 -0.01 C ATOM 941 CG1 VAL A 60 -19.355 -0.143 4.477 1.00 -0.09 C ATOM 942 CG2 VAL A 60 -17.983 -0.704 6.487 1.00 -0.09 C ATOM 0 H VAL A 60 -18.515 -2.582 2.901 1.00 -0.46 H new ATOM 0 HA VAL A 60 -17.038 -1.043 3.170 1.00 0.04 H new ATOM 0 HB VAL A 60 -17.301 0.450 4.851 1.00 -0.01 H new ATOM 0 HG11 VAL A 60 -19.814 0.628 5.096 1.00 -0.09 H new ATOM 0 HG12 VAL A 60 -19.312 0.200 3.443 1.00 -0.09 H new ATOM 0 HG13 VAL A 60 -19.949 -1.055 4.532 1.00 -0.09 H new ATOM 0 HG21 VAL A 60 -18.489 0.118 6.993 1.00 -0.09 H new ATOM 0 HG22 VAL A 60 -18.526 -1.631 6.669 1.00 -0.09 H new ATOM 0 HG23 VAL A 60 -16.967 -0.797 6.872 1.00 -0.09 H new ATOM 952 N LEU A 61 -14.997 -0.915 4.860 1.00 -0.46 N ATOM 953 CA LEU A 61 -13.598 -1.077 5.227 1.00 0.04 C ATOM 954 C LEU A 61 -13.075 0.262 5.760 1.00 0.62 C ATOM 955 O LEU A 61 -13.749 1.285 5.628 1.00 -0.50 O ATOM 956 CB LEU A 61 -12.784 -1.596 4.027 1.00 -0.06 C ATOM 957 CG LEU A 61 -13.048 -0.816 2.727 1.00 -0.01 C ATOM 958 CD1 LEU A 61 -11.740 -0.412 2.049 1.00 -0.11 C ATOM 959 CD2 LEU A 61 -13.881 -1.643 1.738 1.00 -0.11 C ATOM 0 H LEU A 61 -15.281 0.063 4.797 1.00 -0.46 H new ATOM 0 HA LEU A 61 -13.492 -1.823 6.015 1.00 0.04 H new ATOM 0 HB2 LEU A 61 -11.722 -1.540 4.266 1.00 -0.06 H new ATOM 0 HB3 LEU A 61 -13.019 -2.648 3.865 1.00 -0.06 H new ATOM 0 HG LEU A 61 -13.604 0.079 3.006 1.00 -0.01 H new ATOM 0 HD11 LEU A 61 -11.959 0.137 1.133 1.00 -0.11 H new ATOM 0 HD12 LEU A 61 -11.162 0.221 2.722 1.00 -0.11 H new ATOM 0 HD13 LEU A 61 -11.165 -1.306 1.807 1.00 -0.11 H new ATOM 0 HD21 LEU A 61 -14.050 -1.063 0.831 1.00 -0.11 H new ATOM 0 HD22 LEU A 61 -13.346 -2.559 1.489 1.00 -0.11 H new ATOM 0 HD23 LEU A 61 -14.840 -1.894 2.191 1.00 -0.11 H new ATOM 971 N THR A 62 -11.892 0.258 6.392 1.00 -0.46 N ATOM 972 CA THR A 62 -11.324 1.441 7.027 1.00 0.04 C ATOM 973 C THR A 62 -9.809 1.481 6.833 1.00 0.62 C ATOM 974 O THR A 62 -9.155 0.443 6.767 1.00 -0.50 O ATOM 975 CB THR A 62 -11.722 1.470 8.513 1.00 0.17 C ATOM 976 OG1 THR A 62 -13.132 1.472 8.622 1.00 -0.55 O ATOM 977 CG2 THR A 62 -11.165 2.700 9.239 1.00 -0.19 C ATOM 0 H THR A 62 -11.306 -0.573 6.473 1.00 -0.46 H new ATOM 0 HA THR A 62 -11.726 2.338 6.555 1.00 0.04 H new ATOM 0 HB THR A 62 -11.298 0.582 8.982 1.00 0.17 H new ATOM 0 HG1 THR A 62 -13.387 1.489 9.568 1.00 -0.55 H new ATOM 0 HG21 THR A 62 -11.473 2.676 10.284 1.00 -0.19 H new ATOM 0 HG22 THR A 62 -10.077 2.695 9.181 1.00 -0.19 H new ATOM 0 HG23 THR A 62 -11.549 3.605 8.769 1.00 -0.19 H new ATOM 985 N ILE A 63 -9.259 2.696 6.724 1.00 -0.46 N ATOM 986 CA ILE A 63 -7.836 2.933 6.550 1.00 0.04 C ATOM 987 C ILE A 63 -7.382 3.857 7.675 1.00 0.62 C ATOM 988 O ILE A 63 -7.916 4.955 7.828 1.00 -0.50 O ATOM 989 CB ILE A 63 -7.564 3.549 5.167 1.00 -0.01 C ATOM 990 CG1 ILE A 63 -8.129 2.665 4.042 1.00 -0.05 C ATOM 991 CG2 ILE A 63 -6.052 3.720 4.975 1.00 -0.09 C ATOM 992 CD1 ILE A 63 -8.118 3.384 2.695 1.00 -0.09 C ATOM 0 H ILE A 63 -9.809 3.554 6.756 1.00 -0.46 H new ATOM 0 HA ILE A 63 -7.277 1.999 6.596 1.00 0.04 H new ATOM 0 HB ILE A 63 -8.060 4.518 5.119 1.00 -0.01 H new ATOM 0 HG12 ILE A 63 -7.542 1.749 3.970 1.00 -0.05 H new ATOM 0 HG13 ILE A 63 -9.149 2.371 4.289 1.00 -0.05 H new ATOM 0 HG21 ILE A 63 -5.857 4.156 3.995 1.00 -0.09 H new ATOM 0 HG22 ILE A 63 -5.659 4.378 5.750 1.00 -0.09 H new ATOM 0 HG23 ILE A 63 -5.564 2.748 5.043 1.00 -0.09 H new ATOM 0 HD11 ILE A 63 -8.525 2.725 1.928 1.00 -0.09 H new ATOM 0 HD12 ILE A 63 -8.727 4.286 2.759 1.00 -0.09 H new ATOM 0 HD13 ILE A 63 -7.095 3.655 2.435 1.00 -0.09 H new ATOM 1004 N VAL A 64 -6.389 3.409 8.449 1.00 -0.46 N ATOM 1005 CA VAL A 64 -5.770 4.190 9.507 1.00 0.04 C ATOM 1006 C VAL A 64 -4.709 5.080 8.858 1.00 0.62 C ATOM 1007 O VAL A 64 -3.532 4.731 8.852 1.00 -0.50 O ATOM 1008 CB VAL A 64 -5.185 3.244 10.574 1.00 -0.01 C ATOM 1009 CG1 VAL A 64 -4.574 4.034 11.740 1.00 -0.09 C ATOM 1010 CG2 VAL A 64 -6.269 2.314 11.135 1.00 -0.09 C ATOM 0 H VAL A 64 -5.990 2.475 8.350 1.00 -0.46 H new ATOM 0 HA VAL A 64 -6.492 4.825 10.020 1.00 0.04 H new ATOM 0 HB VAL A 64 -4.409 2.655 10.086 1.00 -0.01 H new ATOM 0 HG11 VAL A 64 -4.169 3.340 12.477 1.00 -0.09 H new ATOM 0 HG12 VAL A 64 -3.774 4.674 11.367 1.00 -0.09 H new ATOM 0 HG13 VAL A 64 -5.344 4.649 12.205 1.00 -0.09 H new ATOM 0 HG21 VAL A 64 -5.831 1.656 11.886 1.00 -0.09 H new ATOM 0 HG22 VAL A 64 -7.059 2.910 11.591 1.00 -0.09 H new ATOM 0 HG23 VAL A 64 -6.688 1.714 10.327 1.00 -0.09 H new ATOM 1020 N VAL A 65 -5.130 6.220 8.297 1.00 -0.46 N ATOM 1021 CA VAL A 65 -4.237 7.183 7.667 1.00 0.04 C ATOM 1022 C VAL A 65 -3.590 8.014 8.775 1.00 0.62 C ATOM 1023 O VAL A 65 -4.059 9.109 9.082 1.00 -0.50 O ATOM 1024 CB VAL A 65 -5.006 8.050 6.648 1.00 -0.01 C ATOM 1025 CG1 VAL A 65 -4.053 9.013 5.924 1.00 -0.09 C ATOM 1026 CG2 VAL A 65 -5.701 7.181 5.594 1.00 -0.09 C ATOM 0 H VAL A 65 -6.111 6.497 8.271 1.00 -0.46 H new ATOM 0 HA VAL A 65 -3.454 6.678 7.102 1.00 0.04 H new ATOM 0 HB VAL A 65 -5.753 8.613 7.208 1.00 -0.01 H new ATOM 0 HG11 VAL A 65 -4.616 9.614 5.210 1.00 -0.09 H new ATOM 0 HG12 VAL A 65 -3.575 9.668 6.652 1.00 -0.09 H new ATOM 0 HG13 VAL A 65 -3.291 8.441 5.395 1.00 -0.09 H new ATOM 0 HG21 VAL A 65 -6.235 7.820 4.890 1.00 -0.09 H new ATOM 0 HG22 VAL A 65 -4.956 6.593 5.058 1.00 -0.09 H new ATOM 0 HG23 VAL A 65 -6.408 6.511 6.083 1.00 -0.09 H new ATOM 1036 N ASP A 66 -2.529 7.470 9.387 1.00 -0.46 N ATOM 1037 CA ASP A 66 -1.839 8.065 10.525 1.00 0.04 C ATOM 1038 C ASP A 66 -2.848 8.443 11.616 1.00 0.62 C ATOM 1039 O ASP A 66 -3.120 9.620 11.853 1.00 -0.50 O ATOM 1040 CB ASP A 66 -0.970 9.245 10.060 1.00 -0.40 C ATOM 1041 CG ASP A 66 -0.179 9.885 11.201 1.00 0.71 C ATOM 1042 OD1 ASP A 66 0.213 9.136 12.123 1.00 -0.72 O ATOM 1043 OD2 ASP A 66 0.024 11.116 11.127 1.00 -0.72 O ATOM 0 H ASP A 66 -2.122 6.582 9.092 1.00 -0.46 H new ATOM 0 HA ASP A 66 -1.160 7.338 10.971 1.00 0.04 H new ATOM 0 HB2 ASP A 66 -0.277 8.900 9.293 1.00 -0.40 H new ATOM 0 HB3 ASP A 66 -1.607 9.999 9.598 1.00 -0.40 H new ATOM 1048 N GLY A 67 -3.445 7.426 12.248 1.00 -0.46 N ATOM 1049 CA GLY A 67 -4.462 7.597 13.275 1.00 0.04 C ATOM 1050 C GLY A 67 -5.857 7.785 12.677 1.00 0.62 C ATOM 1051 O GLY A 67 -6.805 7.140 13.123 1.00 -0.50 O ATOM 0 H GLY A 67 -3.227 6.449 12.053 1.00 -0.46 H new ATOM 0 HA2 GLY A 67 -4.464 6.727 13.931 1.00 0.04 H new ATOM 0 HA3 GLY A 67 -4.213 8.461 13.891 1.00 0.04 H new ATOM 1055 N LYS A 68 -5.989 8.683 11.692 1.00 -0.46 N ATOM 1056 CA LYS A 68 -7.265 9.081 11.112 1.00 0.04 C ATOM 1057 C LYS A 68 -7.962 7.883 10.458 1.00 0.62 C ATOM 1058 O LYS A 68 -7.496 7.378 9.439 1.00 -0.50 O ATOM 1059 CB LYS A 68 -7.020 10.212 10.099 1.00 -0.10 C ATOM 1060 CG LYS A 68 -8.310 10.918 9.657 1.00 -0.16 C ATOM 1061 CD LYS A 68 -8.819 11.959 10.666 1.00 -0.18 C ATOM 1062 CE LYS A 68 -8.309 13.378 10.370 1.00 -0.04 C ATOM 1063 NZ LYS A 68 -6.840 13.485 10.439 1.00 -0.14 N ATOM 0 H LYS A 68 -5.191 9.159 11.272 1.00 -0.46 H new ATOM 0 HA LYS A 68 -7.928 9.446 11.897 1.00 0.04 H new ATOM 0 HB2 LYS A 68 -6.345 10.945 10.539 1.00 -0.10 H new ATOM 0 HB3 LYS A 68 -6.518 9.803 9.222 1.00 -0.10 H new ATOM 0 HG2 LYS A 68 -8.136 11.408 8.699 1.00 -0.16 H new ATOM 0 HG3 LYS A 68 -9.087 10.170 9.496 1.00 -0.16 H new ATOM 0 HD2 LYS A 68 -9.909 11.961 10.659 1.00 -0.18 H new ATOM 0 HD3 LYS A 68 -8.507 11.668 11.669 1.00 -0.18 H new ATOM 0 HE2 LYS A 68 -8.644 13.680 9.378 1.00 -0.04 H new ATOM 0 HE3 LYS A 68 -8.753 14.074 11.082 1.00 -0.04 H new ATOM 0 HZ1 LYS A 68 -6.560 14.483 10.349 1.00 -0.14 H new ATOM 0 HZ2 LYS A 68 -6.507 13.113 11.351 1.00 -0.14 H new ATOM 0 HZ3 LYS A 68 -6.415 12.935 9.665 1.00 -0.14 H new ATOM 1077 N GLU A 69 -9.085 7.445 11.043 1.00 -0.46 N ATOM 1078 CA GLU A 69 -9.883 6.331 10.546 1.00 0.04 C ATOM 1079 C GLU A 69 -10.726 6.762 9.340 1.00 0.62 C ATOM 1080 O GLU A 69 -11.937 6.940 9.444 1.00 -0.50 O ATOM 1081 CB GLU A 69 -10.736 5.733 11.679 1.00 -0.18 C ATOM 1082 CG GLU A 69 -11.547 6.761 12.486 1.00 -0.40 C ATOM 1083 CD GLU A 69 -12.684 6.080 13.244 1.00 0.71 C ATOM 1084 OE1 GLU A 69 -13.697 5.761 12.581 1.00 -0.72 O ATOM 1085 OE2 GLU A 69 -12.519 5.884 14.466 1.00 -0.72 O ATOM 0 H GLU A 69 -9.466 7.867 11.890 1.00 -0.46 H new ATOM 0 HA GLU A 69 -9.215 5.543 10.197 1.00 0.04 H new ATOM 0 HB2 GLU A 69 -11.424 5.004 11.251 1.00 -0.18 H new ATOM 0 HB3 GLU A 69 -10.081 5.191 12.361 1.00 -0.18 H new ATOM 0 HG2 GLU A 69 -10.893 7.276 13.189 1.00 -0.40 H new ATOM 0 HG3 GLU A 69 -11.953 7.518 11.815 1.00 -0.40 H new ATOM 1092 N ILE A 70 -10.084 6.909 8.176 1.00 -0.46 N ATOM 1093 CA ILE A 70 -10.771 7.227 6.934 1.00 0.04 C ATOM 1094 C ILE A 70 -11.555 5.987 6.492 1.00 0.62 C ATOM 1095 O ILE A 70 -10.973 5.035 5.973 1.00 -0.50 O ATOM 1096 CB ILE A 70 -9.765 7.712 5.874 1.00 -0.01 C ATOM 1097 CG1 ILE A 70 -9.000 8.980 6.305 1.00 -0.05 C ATOM 1098 CG2 ILE A 70 -10.469 7.962 4.535 1.00 -0.09 C ATOM 1099 CD1 ILE A 70 -9.879 10.228 6.455 1.00 -0.09 C ATOM 0 H ILE A 70 -9.074 6.810 8.076 1.00 -0.46 H new ATOM 0 HA ILE A 70 -11.476 8.046 7.075 1.00 0.04 H new ATOM 0 HB ILE A 70 -9.031 6.914 5.761 1.00 -0.01 H new ATOM 0 HG12 ILE A 70 -8.502 8.784 7.255 1.00 -0.05 H new ATOM 0 HG13 ILE A 70 -8.220 9.186 5.572 1.00 -0.05 H new ATOM 0 HG21 ILE A 70 -9.741 8.304 3.799 1.00 -0.09 H new ATOM 0 HG22 ILE A 70 -10.929 7.037 4.187 1.00 -0.09 H new ATOM 0 HG23 ILE A 70 -11.238 8.723 4.665 1.00 -0.09 H new ATOM 0 HD11 ILE A 70 -9.262 11.073 6.760 1.00 -0.09 H new ATOM 0 HD12 ILE A 70 -10.357 10.453 5.502 1.00 -0.09 H new ATOM 0 HD13 ILE A 70 -10.644 10.046 7.210 1.00 -0.09 H new ATOM 1111 N LYS A 71 -12.875 5.998 6.728 1.00 -0.46 N ATOM 1112 CA LYS A 71 -13.766 4.901 6.382 1.00 0.04 C ATOM 1113 C LYS A 71 -14.155 4.997 4.906 1.00 0.62 C ATOM 1114 O LYS A 71 -14.475 6.078 4.412 1.00 -0.50 O ATOM 1115 CB LYS A 71 -14.988 4.872 7.310 1.00 -0.10 C ATOM 1116 CG LYS A 71 -14.551 4.825 8.783 1.00 -0.16 C ATOM 1117 CD LYS A 71 -15.571 4.132 9.693 1.00 -0.18 C ATOM 1118 CE LYS A 71 -16.910 4.874 9.739 1.00 -0.04 C ATOM 1119 NZ LYS A 71 -17.836 4.234 10.690 1.00 -0.14 N ATOM 0 H LYS A 71 -13.352 6.783 7.171 1.00 -0.46 H new ATOM 0 HA LYS A 71 -13.246 3.954 6.527 1.00 0.04 H new ATOM 0 HB2 LYS A 71 -15.604 5.754 7.136 1.00 -0.10 H new ATOM 0 HB3 LYS A 71 -15.605 4.003 7.081 1.00 -0.10 H new ATOM 0 HG2 LYS A 71 -13.596 4.304 8.856 1.00 -0.16 H new ATOM 0 HG3 LYS A 71 -14.388 5.842 9.140 1.00 -0.16 H new ATOM 0 HD2 LYS A 71 -15.735 3.113 9.341 1.00 -0.18 H new ATOM 0 HD3 LYS A 71 -15.164 4.059 10.702 1.00 -0.18 H new ATOM 0 HE2 LYS A 71 -16.745 5.912 10.029 1.00 -0.04 H new ATOM 0 HE3 LYS A 71 -17.356 4.888 8.745 1.00 -0.04 H new ATOM 0 HZ1 LYS A 71 -18.736 4.755 10.703 1.00 -0.14 H new ATOM 0 HZ2 LYS A 71 -18.009 3.251 10.398 1.00 -0.14 H new ATOM 0 HZ3 LYS A 71 -17.417 4.243 11.642 1.00 -0.14 H new ATOM 1133 N VAL A 72 -14.079 3.862 4.204 1.00 -0.46 N ATOM 1134 CA VAL A 72 -14.132 3.764 2.752 1.00 0.04 C ATOM 1135 C VAL A 72 -15.010 2.579 2.334 1.00 0.62 C ATOM 1136 O VAL A 72 -15.439 1.787 3.175 1.00 -0.50 O ATOM 1137 CB VAL A 72 -12.698 3.653 2.187 1.00 -0.01 C ATOM 1138 CG1 VAL A 72 -12.022 5.024 2.077 1.00 -0.09 C ATOM 1139 CG2 VAL A 72 -11.805 2.764 3.058 1.00 -0.09 C ATOM 0 H VAL A 72 -13.975 2.953 4.655 1.00 -0.46 H new ATOM 0 HA VAL A 72 -14.585 4.664 2.337 1.00 0.04 H new ATOM 0 HB VAL A 72 -12.808 3.210 1.197 1.00 -0.01 H new ATOM 0 HG11 VAL A 72 -11.016 4.902 1.676 1.00 -0.09 H new ATOM 0 HG12 VAL A 72 -12.603 5.664 1.413 1.00 -0.09 H new ATOM 0 HG13 VAL A 72 -11.966 5.482 3.064 1.00 -0.09 H new ATOM 0 HG21 VAL A 72 -10.807 2.714 2.623 1.00 -0.09 H new ATOM 0 HG22 VAL A 72 -11.743 3.183 4.062 1.00 -0.09 H new ATOM 0 HG23 VAL A 72 -12.229 1.761 3.109 1.00 -0.09 H new ATOM 1149 N LYS A 73 -15.286 2.478 1.028 1.00 -0.46 N ATOM 1150 CA LYS A 73 -16.059 1.401 0.414 1.00 0.04 C ATOM 1151 C LYS A 73 -15.332 0.750 -0.771 1.00 0.62 C ATOM 1152 O LYS A 73 -15.879 -0.183 -1.355 1.00 -0.50 O ATOM 1153 CB LYS A 73 -17.449 1.922 -0.001 1.00 -0.10 C ATOM 1154 CG LYS A 73 -18.532 1.416 0.959 1.00 -0.16 C ATOM 1155 CD LYS A 73 -19.929 1.745 0.421 1.00 -0.18 C ATOM 1156 CE LYS A 73 -21.010 1.118 1.308 1.00 -0.04 C ATOM 1157 NZ LYS A 73 -22.358 1.327 0.751 1.00 -0.14 N ATOM 0 H LYS A 73 -14.965 3.169 0.350 1.00 -0.46 H new ATOM 0 HA LYS A 73 -16.180 0.617 1.162 1.00 0.04 H new ATOM 0 HB2 LYS A 73 -17.446 3.012 -0.010 1.00 -0.10 H new ATOM 0 HB3 LYS A 73 -17.676 1.596 -1.016 1.00 -0.10 H new ATOM 0 HG2 LYS A 73 -18.433 0.339 1.092 1.00 -0.16 H new ATOM 0 HG3 LYS A 73 -18.398 1.872 1.940 1.00 -0.16 H new ATOM 0 HD2 LYS A 73 -20.064 2.826 0.382 1.00 -0.18 H new ATOM 0 HD3 LYS A 73 -20.028 1.375 -0.599 1.00 -0.18 H new ATOM 0 HE2 LYS A 73 -20.821 0.050 1.413 1.00 -0.04 H new ATOM 0 HE3 LYS A 73 -20.958 1.551 2.307 1.00 -0.04 H new ATOM 0 HZ1 LYS A 73 -23.064 0.890 1.377 1.00 -0.14 H new ATOM 0 HZ2 LYS A 73 -22.548 2.347 0.674 1.00 -0.14 H new ATOM 0 HZ3 LYS A 73 -22.415 0.892 -0.192 1.00 -0.14 H new ATOM 1171 N ALA A 74 -14.112 1.198 -1.109 1.00 -0.46 N ATOM 1172 CA ALA A 74 -13.269 0.604 -2.144 1.00 0.04 C ATOM 1173 C ALA A 74 -13.962 0.566 -3.508 1.00 0.62 C ATOM 1174 O ALA A 74 -14.510 -0.463 -3.893 1.00 -0.50 O ATOM 1175 CB ALA A 74 -12.788 -0.789 -1.718 1.00 -0.10 C ATOM 0 H ALA A 74 -13.680 2.003 -0.656 1.00 -0.46 H new ATOM 0 HA ALA A 74 -12.396 1.246 -2.260 1.00 0.04 H new ATOM 0 HB1 ALA A 74 -12.162 -1.214 -2.503 1.00 -0.10 H new ATOM 0 HB2 ALA A 74 -12.211 -0.709 -0.797 1.00 -0.10 H new ATOM 0 HB3 ALA A 74 -13.649 -1.436 -1.551 1.00 -0.10 H new ATOM 1181 N GLN A 75 -13.917 1.677 -4.252 1.00 -0.46 N ATOM 1182 CA GLN A 75 -14.510 1.761 -5.581 1.00 0.04 C ATOM 1183 C GLN A 75 -13.809 0.806 -6.547 1.00 0.62 C ATOM 1184 O GLN A 75 -14.461 -0.042 -7.153 1.00 -0.50 O ATOM 1185 CB GLN A 75 -14.460 3.213 -6.073 1.00 -0.10 C ATOM 1186 CG GLN A 75 -15.023 3.406 -7.486 1.00 -0.10 C ATOM 1187 CD GLN A 75 -16.479 2.959 -7.592 1.00 0.68 C ATOM 1188 OE1 GLN A 75 -17.355 3.537 -6.953 1.00 -0.47 O ATOM 1189 NE2 GLN A 75 -16.746 1.930 -8.398 1.00 -0.87 N ATOM 0 H GLN A 75 -13.468 2.540 -3.945 1.00 -0.46 H new ATOM 0 HA GLN A 75 -15.555 1.454 -5.533 1.00 0.04 H new ATOM 0 HB2 GLN A 75 -15.019 3.841 -5.380 1.00 -0.10 H new ATOM 0 HB3 GLN A 75 -13.426 3.558 -6.053 1.00 -0.10 H new ATOM 0 HG2 GLN A 75 -14.946 4.457 -7.766 1.00 -0.10 H new ATOM 0 HG3 GLN A 75 -14.419 2.842 -8.196 1.00 -0.10 H new ATOM 0 HE21 GLN A 75 -15.991 1.476 -8.912 1.00 -0.87 H new ATOM 0 HE22 GLN A 75 -17.705 1.598 -8.500 1.00 -0.87 H new ATOM 1198 N ASP A 76 -12.485 0.943 -6.684 1.00 -0.46 N ATOM 1199 CA ASP A 76 -11.666 0.052 -7.493 1.00 0.04 C ATOM 1200 C ASP A 76 -10.437 -0.365 -6.690 1.00 0.62 C ATOM 1201 O ASP A 76 -9.780 0.475 -6.078 1.00 -0.50 O ATOM 1202 CB ASP A 76 -11.281 0.727 -8.812 1.00 -0.40 C ATOM 1203 CG ASP A 76 -10.372 -0.178 -9.640 1.00 0.71 C ATOM 1204 OD1 ASP A 76 -10.930 -1.048 -10.344 1.00 -0.72 O ATOM 1205 OD2 ASP A 76 -9.140 -0.005 -9.531 1.00 -0.72 O ATOM 0 H ASP A 76 -11.953 1.685 -6.229 1.00 -0.46 H new ATOM 0 HA ASP A 76 -12.234 -0.844 -7.746 1.00 0.04 H new ATOM 0 HB2 ASP A 76 -12.180 0.964 -9.380 1.00 -0.40 H new ATOM 0 HB3 ASP A 76 -10.774 1.670 -8.608 1.00 -0.40 H new ATOM 1210 N VAL A 77 -10.144 -1.670 -6.706 1.00 -0.46 N ATOM 1211 CA VAL A 77 -8.944 -2.256 -6.134 1.00 0.04 C ATOM 1212 C VAL A 77 -8.222 -2.981 -7.271 1.00 0.62 C ATOM 1213 O VAL A 77 -8.824 -3.829 -7.929 1.00 -0.50 O ATOM 1214 CB VAL A 77 -9.294 -3.170 -4.936 1.00 -0.01 C ATOM 1215 CG1 VAL A 77 -10.234 -2.466 -3.948 1.00 -0.09 C ATOM 1216 CG2 VAL A 77 -9.959 -4.498 -5.322 1.00 -0.09 C ATOM 0 H VAL A 77 -10.760 -2.362 -7.133 1.00 -0.46 H new ATOM 0 HA VAL A 77 -8.279 -1.498 -5.719 1.00 0.04 H new ATOM 0 HB VAL A 77 -8.326 -3.387 -4.485 1.00 -0.01 H new ATOM 0 HG11 VAL A 77 -10.459 -3.137 -3.119 1.00 -0.09 H new ATOM 0 HG12 VAL A 77 -9.752 -1.566 -3.566 1.00 -0.09 H new ATOM 0 HG13 VAL A 77 -11.159 -2.194 -4.456 1.00 -0.09 H new ATOM 0 HG21 VAL A 77 -10.169 -5.075 -4.421 1.00 -0.09 H new ATOM 0 HG22 VAL A 77 -10.891 -4.298 -5.851 1.00 -0.09 H new ATOM 0 HG23 VAL A 77 -9.290 -5.066 -5.968 1.00 -0.09 H new ATOM 1226 N GLN A 78 -6.952 -2.641 -7.534 1.00 -0.46 N ATOM 1227 CA GLN A 78 -6.198 -3.250 -8.626 1.00 0.04 C ATOM 1228 C GLN A 78 -5.534 -4.528 -8.111 1.00 0.62 C ATOM 1229 O GLN A 78 -4.310 -4.648 -8.059 1.00 -0.50 O ATOM 1230 CB GLN A 78 -5.228 -2.246 -9.270 1.00 -0.10 C ATOM 1231 CG GLN A 78 -5.963 -0.946 -9.642 1.00 -0.10 C ATOM 1232 CD GLN A 78 -5.078 0.042 -10.397 1.00 0.68 C ATOM 1233 OE1 GLN A 78 -4.145 -0.351 -11.094 1.00 -0.47 O ATOM 1234 NE2 GLN A 78 -5.361 1.340 -10.256 1.00 -0.87 N ATOM 0 H GLN A 78 -6.429 -1.946 -7.001 1.00 -0.46 H new ATOM 0 HA GLN A 78 -6.867 -3.536 -9.438 1.00 0.04 H new ATOM 0 HB2 GLN A 78 -4.414 -2.025 -8.580 1.00 -0.10 H new ATOM 0 HB3 GLN A 78 -4.780 -2.685 -10.162 1.00 -0.10 H new ATOM 0 HG2 GLN A 78 -6.832 -1.188 -10.254 1.00 -0.10 H new ATOM 0 HG3 GLN A 78 -6.335 -0.472 -8.734 1.00 -0.10 H new ATOM 0 HE21 GLN A 78 -6.143 1.631 -9.669 1.00 -0.87 H new ATOM 0 HE22 GLN A 78 -4.795 2.040 -10.735 1.00 -0.87 H new ATOM 1243 N ARG A 79 -6.393 -5.478 -7.721 1.00 -0.46 N ATOM 1244 CA ARG A 79 -6.050 -6.801 -7.227 1.00 0.04 C ATOM 1245 C ARG A 79 -5.537 -7.693 -8.356 1.00 0.62 C ATOM 1246 O ARG A 79 -5.673 -7.362 -9.533 1.00 -0.50 O ATOM 1247 CB ARG A 79 -7.286 -7.434 -6.563 1.00 -0.08 C ATOM 1248 CG ARG A 79 -8.489 -7.536 -7.518 1.00 -0.10 C ATOM 1249 CD ARG A 79 -9.619 -8.372 -6.905 1.00 -0.23 C ATOM 1250 NE ARG A 79 -10.880 -8.207 -7.644 1.00 -0.32 N ATOM 1251 CZ ARG A 79 -11.142 -8.670 -8.878 1.00 0.76 C ATOM 1252 NH1 ARG A 79 -10.241 -9.400 -9.550 1.00 -0.62 N ATOM 1253 NH2 ARG A 79 -12.324 -8.396 -9.448 1.00 -0.62 N ATOM 0 H ARG A 79 -7.401 -5.327 -7.746 1.00 -0.46 H new ATOM 0 HA ARG A 79 -5.251 -6.705 -6.491 1.00 0.04 H new ATOM 0 HB2 ARG A 79 -7.029 -8.430 -6.202 1.00 -0.08 H new ATOM 0 HB3 ARG A 79 -7.568 -6.842 -5.692 1.00 -0.08 H new ATOM 0 HG2 ARG A 79 -8.858 -6.537 -7.750 1.00 -0.10 H new ATOM 0 HG3 ARG A 79 -8.172 -7.985 -8.459 1.00 -0.10 H new ATOM 0 HD2 ARG A 79 -9.333 -9.424 -6.903 1.00 -0.23 H new ATOM 0 HD3 ARG A 79 -9.765 -8.079 -5.865 1.00 -0.23 H new ATOM 0 HE ARG A 79 -11.626 -7.693 -7.176 1.00 -0.32 H new ATOM 0 HH11 ARG A 79 -9.338 -9.613 -9.126 1.00 -0.62 H new ATOM 0 HH12 ARG A 79 -10.458 -9.743 -10.486 1.00 -0.62 H new ATOM 0 HH21 ARG A 79 -13.016 -7.840 -8.945 1.00 -0.62 H new ATOM 0 HH22 ARG A 79 -12.531 -8.743 -10.384 1.00 -0.62 H new ATOM 1267 N HIS A 80 -5.001 -8.858 -7.980 1.00 -0.46 N ATOM 1268 CA HIS A 80 -4.689 -9.941 -8.894 1.00 0.04 C ATOM 1269 C HIS A 80 -5.200 -11.240 -8.261 1.00 0.62 C ATOM 1270 O HIS A 80 -4.695 -11.628 -7.209 1.00 -0.50 O ATOM 1271 CB HIS A 80 -3.181 -9.983 -9.164 1.00 -0.10 C ATOM 1272 CG HIS A 80 -2.824 -10.814 -10.371 1.00 -0.03 C ATOM 1273 ND1 HIS A 80 -3.340 -12.049 -10.693 1.00 -0.15 N ATOM 1274 CD2 HIS A 80 -2.009 -10.428 -11.402 1.00 0.20 C ATOM 1275 CE1 HIS A 80 -2.840 -12.398 -11.891 1.00 0.24 C ATOM 1276 NE2 HIS A 80 -2.018 -11.445 -12.360 1.00 -0.50 N ATOM 0 H HIS A 80 -4.770 -9.071 -7.010 1.00 -0.46 H new ATOM 0 HA HIS A 80 -5.174 -9.798 -9.859 1.00 0.04 H new ATOM 0 HB2 HIS A 80 -2.814 -8.967 -9.307 1.00 -0.10 H new ATOM 0 HB3 HIS A 80 -2.671 -10.385 -8.289 1.00 -0.10 H new ATOM 0 HD1 HIS A 80 -3.985 -12.599 -10.126 1.00 -0.15 H new ATOM 0 HD2 HIS A 80 -1.457 -9.502 -11.464 1.00 0.20 H new ATOM 0 HE1 HIS A 80 -3.068 -13.319 -12.406 1.00 0.24 H new ATOM 1284 N PRO A 81 -6.204 -11.911 -8.853 1.00 -0.23 N ATOM 1285 CA PRO A 81 -6.735 -13.160 -8.329 1.00 0.04 C ATOM 1286 C PRO A 81 -5.788 -14.317 -8.658 1.00 0.53 C ATOM 1287 O PRO A 81 -4.871 -14.165 -9.463 1.00 -0.50 O ATOM 1288 CB PRO A 81 -8.096 -13.329 -9.010 1.00 -0.12 C ATOM 1289 CG PRO A 81 -7.876 -12.673 -10.370 1.00 -0.12 C ATOM 1290 CD PRO A 81 -6.921 -11.521 -10.057 1.00 -0.01 C ATOM 0 HA PRO A 81 -6.836 -13.152 -7.244 1.00 0.04 H new ATOM 0 HB2 PRO A 81 -8.372 -14.379 -9.107 1.00 -0.12 H new ATOM 0 HB3 PRO A 81 -8.893 -12.840 -8.449 1.00 -0.12 H new ATOM 0 HG2 PRO A 81 -7.443 -13.370 -11.087 1.00 -0.12 H new ATOM 0 HG3 PRO A 81 -8.812 -12.314 -10.799 1.00 -0.12 H new ATOM 0 HD2 PRO A 81 -6.231 -11.350 -10.884 1.00 -0.01 H new ATOM 0 HD3 PRO A 81 -7.469 -10.591 -9.901 1.00 -0.01 H new ATOM 1298 N TYR A 82 -6.025 -15.473 -8.024 1.00 -0.46 N ATOM 1299 CA TYR A 82 -5.260 -16.708 -8.176 1.00 0.04 C ATOM 1300 C TYR A 82 -3.906 -16.592 -7.468 1.00 0.62 C ATOM 1301 O TYR A 82 -3.682 -17.248 -6.453 1.00 -0.50 O ATOM 1302 CB TYR A 82 -5.132 -17.140 -9.650 1.00 -0.10 C ATOM 1303 CG TYR A 82 -6.385 -16.950 -10.489 1.00 -0.03 C ATOM 1304 CD1 TYR A 82 -7.606 -17.518 -10.080 1.00 0.00 C ATOM 1305 CD2 TYR A 82 -6.344 -16.143 -11.644 1.00 0.00 C ATOM 1306 CE1 TYR A 82 -8.782 -17.263 -10.806 1.00 -0.26 C ATOM 1307 CE2 TYR A 82 -7.518 -15.901 -12.378 1.00 -0.26 C ATOM 1308 CZ TYR A 82 -8.739 -16.454 -11.955 1.00 0.46 C ATOM 1309 OH TYR A 82 -9.885 -16.197 -12.649 1.00 -0.53 O ATOM 0 H TYR A 82 -6.793 -15.572 -7.360 1.00 -0.46 H new ATOM 0 HA TYR A 82 -5.814 -17.510 -7.688 1.00 0.04 H new ATOM 0 HB2 TYR A 82 -4.318 -16.578 -10.108 1.00 -0.10 H new ATOM 0 HB3 TYR A 82 -4.849 -18.192 -9.681 1.00 -0.10 H new ATOM 0 HD1 TYR A 82 -7.639 -18.151 -9.206 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.408 -15.710 -11.966 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.720 -17.689 -10.481 1.00 -0.26 H new ATOM 0 HE2 TYR A 82 -7.482 -15.290 -13.268 1.00 -0.26 H new ATOM 0 HH TYR A 82 -9.681 -15.621 -13.415 1.00 -0.53 H new ATOM 1319 N LYS A 83 -3.023 -15.737 -8.000 1.00 -0.46 N ATOM 1320 CA LYS A 83 -1.739 -15.382 -7.414 1.00 0.04 C ATOM 1321 C LYS A 83 -1.876 -14.010 -6.737 1.00 0.62 C ATOM 1322 O LYS A 83 -2.134 -13.024 -7.427 1.00 -0.50 O ATOM 1323 CB LYS A 83 -0.632 -15.418 -8.483 1.00 -0.10 C ATOM 1324 CG LYS A 83 -0.881 -14.531 -9.718 1.00 -0.16 C ATOM 1325 CD LYS A 83 0.122 -13.376 -9.831 1.00 -0.18 C ATOM 1326 CE LYS A 83 1.506 -13.867 -10.271 1.00 -0.04 C ATOM 1327 NZ LYS A 83 2.431 -12.741 -10.489 1.00 -0.14 N ATOM 0 H LYS A 83 -3.197 -15.259 -8.884 1.00 -0.46 H new ATOM 0 HA LYS A 83 -1.447 -16.107 -6.654 1.00 0.04 H new ATOM 0 HB2 LYS A 83 0.307 -15.113 -8.021 1.00 -0.10 H new ATOM 0 HB3 LYS A 83 -0.504 -16.448 -8.816 1.00 -0.10 H new ATOM 0 HG2 LYS A 83 -0.825 -15.144 -10.617 1.00 -0.16 H new ATOM 0 HG3 LYS A 83 -1.892 -14.125 -9.671 1.00 -0.16 H new ATOM 0 HD2 LYS A 83 -0.248 -12.642 -10.547 1.00 -0.18 H new ATOM 0 HD3 LYS A 83 0.204 -12.870 -8.869 1.00 -0.18 H new ATOM 0 HE2 LYS A 83 1.915 -14.534 -9.513 1.00 -0.04 H new ATOM 0 HE3 LYS A 83 1.413 -14.447 -11.189 1.00 -0.04 H new ATOM 0 HZ1 LYS A 83 3.358 -13.106 -10.786 1.00 -0.14 H new ATOM 0 HZ2 LYS A 83 2.051 -12.118 -11.230 1.00 -0.14 H new ATOM 0 HZ3 LYS A 83 2.537 -12.203 -9.605 1.00 -0.14 H new ATOM 1341 N PRO A 84 -1.750 -13.921 -5.401 1.00 -0.23 N ATOM 1342 CA PRO A 84 -2.041 -12.704 -4.656 1.00 0.04 C ATOM 1343 C PRO A 84 -0.962 -11.648 -4.900 1.00 0.53 C ATOM 1344 O PRO A 84 0.171 -11.795 -4.445 1.00 -0.50 O ATOM 1345 CB PRO A 84 -2.114 -13.132 -3.187 1.00 -0.12 C ATOM 1346 CG PRO A 84 -1.199 -14.352 -3.123 1.00 -0.12 C ATOM 1347 CD PRO A 84 -1.400 -15.002 -4.491 1.00 -0.01 C ATOM 0 HA PRO A 84 -2.976 -12.241 -4.970 1.00 0.04 H new ATOM 0 HB2 PRO A 84 -1.773 -12.339 -2.521 1.00 -0.12 H new ATOM 0 HB3 PRO A 84 -3.134 -13.380 -2.892 1.00 -0.12 H new ATOM 0 HG2 PRO A 84 -0.159 -14.069 -2.959 1.00 -0.12 H new ATOM 0 HG3 PRO A 84 -1.478 -15.024 -2.312 1.00 -0.12 H new ATOM 0 HD2 PRO A 84 -0.493 -15.510 -4.819 1.00 -0.01 H new ATOM 0 HD3 PRO A 84 -2.190 -15.752 -4.454 1.00 -0.01 H new ATOM 1355 N LYS A 85 -1.328 -10.576 -5.613 1.00 -0.46 N ATOM 1356 CA LYS A 85 -0.469 -9.432 -5.876 1.00 0.04 C ATOM 1357 C LYS A 85 -1.332 -8.174 -5.961 1.00 0.62 C ATOM 1358 O LYS A 85 -2.452 -8.226 -6.468 1.00 -0.50 O ATOM 1359 CB LYS A 85 0.337 -9.655 -7.172 1.00 -0.10 C ATOM 1360 CG LYS A 85 1.826 -9.893 -6.890 1.00 -0.16 C ATOM 1361 CD LYS A 85 2.537 -8.579 -6.536 1.00 -0.18 C ATOM 1362 CE LYS A 85 3.931 -8.843 -5.959 1.00 -0.04 C ATOM 1363 NZ LYS A 85 4.574 -7.592 -5.519 1.00 -0.14 N ATOM 0 H LYS A 85 -2.254 -10.485 -6.030 1.00 -0.46 H new ATOM 0 HA LYS A 85 0.249 -9.310 -5.065 1.00 0.04 H new ATOM 0 HB2 LYS A 85 -0.071 -10.511 -7.710 1.00 -0.10 H new ATOM 0 HB3 LYS A 85 0.225 -8.787 -7.822 1.00 -0.10 H new ATOM 0 HG2 LYS A 85 1.935 -10.602 -6.069 1.00 -0.16 H new ATOM 0 HG3 LYS A 85 2.298 -10.342 -7.764 1.00 -0.16 H new ATOM 0 HD2 LYS A 85 2.621 -7.956 -7.427 1.00 -0.18 H new ATOM 0 HD3 LYS A 85 1.940 -8.023 -5.813 1.00 -0.18 H new ATOM 0 HE2 LYS A 85 3.854 -9.531 -5.117 1.00 -0.04 H new ATOM 0 HE3 LYS A 85 4.552 -9.329 -6.711 1.00 -0.04 H new ATOM 0 HZ1 LYS A 85 5.516 -7.803 -5.133 1.00 -0.14 H new ATOM 0 HZ2 LYS A 85 4.668 -6.947 -6.329 1.00 -0.14 H new ATOM 0 HZ3 LYS A 85 3.992 -7.142 -4.784 1.00 -0.14 H new ATOM 1377 N LEU A 86 -0.800 -7.053 -5.461 1.00 -0.46 N ATOM 1378 CA LEU A 86 -1.407 -5.733 -5.552 1.00 0.04 C ATOM 1379 C LEU A 86 -0.450 -4.781 -6.261 1.00 0.62 C ATOM 1380 O LEU A 86 0.767 -4.960 -6.213 1.00 -0.50 O ATOM 1381 CB LEU A 86 -1.730 -5.208 -4.148 1.00 -0.06 C ATOM 1382 CG LEU A 86 -3.069 -5.749 -3.628 1.00 -0.01 C ATOM 1383 CD1 LEU A 86 -3.096 -5.650 -2.103 1.00 -0.11 C ATOM 1384 CD2 LEU A 86 -4.236 -4.932 -4.201 1.00 -0.11 C ATOM 0 H LEU A 86 0.093 -7.046 -4.968 1.00 -0.46 H new ATOM 0 HA LEU A 86 -2.334 -5.800 -6.122 1.00 0.04 H new ATOM 0 HB2 LEU A 86 -0.932 -5.493 -3.462 1.00 -0.06 H new ATOM 0 HB3 LEU A 86 -1.761 -4.119 -4.166 1.00 -0.06 H new ATOM 0 HG LEU A 86 -3.173 -6.788 -3.941 1.00 -0.01 H new ATOM 0 HD11 LEU A 86 -4.046 -6.033 -1.730 1.00 -0.11 H new ATOM 0 HD12 LEU A 86 -2.278 -6.238 -1.686 1.00 -0.11 H new ATOM 0 HD13 LEU A 86 -2.983 -4.608 -1.804 1.00 -0.11 H new ATOM 0 HD21 LEU A 86 -5.178 -5.329 -3.823 1.00 -0.11 H new ATOM 0 HD22 LEU A 86 -4.133 -3.890 -3.899 1.00 -0.11 H new ATOM 0 HD23 LEU A 86 -4.226 -4.997 -5.289 1.00 -0.11 H new ATOM 1396 N GLN A 87 -1.028 -3.778 -6.928 1.00 -0.46 N ATOM 1397 CA GLN A 87 -0.330 -2.753 -7.690 1.00 0.04 C ATOM 1398 C GLN A 87 -0.719 -1.373 -7.162 1.00 0.62 C ATOM 1399 O GLN A 87 0.148 -0.533 -6.931 1.00 -0.50 O ATOM 1400 CB GLN A 87 -0.698 -2.884 -9.176 1.00 -0.10 C ATOM 1401 CG GLN A 87 -0.296 -4.228 -9.800 1.00 -0.10 C ATOM 1402 CD GLN A 87 1.216 -4.380 -9.955 1.00 0.68 C ATOM 1403 OE1 GLN A 87 1.762 -4.092 -11.016 1.00 -0.47 O ATOM 1404 NE2 GLN A 87 1.902 -4.847 -8.909 1.00 -0.87 N ATOM 0 H GLN A 87 -2.041 -3.658 -6.949 1.00 -0.46 H new ATOM 0 HA GLN A 87 0.747 -2.879 -7.582 1.00 0.04 H new ATOM 0 HB2 GLN A 87 -1.774 -2.750 -9.287 1.00 -0.10 H new ATOM 0 HB3 GLN A 87 -0.218 -2.078 -9.732 1.00 -0.10 H new ATOM 0 HG2 GLN A 87 -0.676 -5.040 -9.180 1.00 -0.10 H new ATOM 0 HG3 GLN A 87 -0.768 -4.325 -10.777 1.00 -0.10 H new ATOM 0 HE21 GLN A 87 1.416 -5.076 -8.042 1.00 -0.87 H new ATOM 0 HE22 GLN A 87 2.912 -4.974 -8.977 1.00 -0.87 H new ATOM 1413 N HIS A 88 -2.026 -1.142 -6.989 1.00 -0.46 N ATOM 1414 CA HIS A 88 -2.593 0.134 -6.584 1.00 0.04 C ATOM 1415 C HIS A 88 -4.012 -0.102 -6.062 1.00 0.62 C ATOM 1416 O HIS A 88 -4.615 -1.136 -6.353 1.00 -0.50 O ATOM 1417 CB HIS A 88 -2.582 1.085 -7.787 1.00 -0.10 C ATOM 1418 CG HIS A 88 -2.952 2.505 -7.449 1.00 -0.03 C ATOM 1419 ND1 HIS A 88 -4.202 3.073 -7.556 1.00 -0.15 N ATOM 1420 CD2 HIS A 88 -2.087 3.475 -7.022 1.00 0.20 C ATOM 1421 CE1 HIS A 88 -4.084 4.360 -7.192 1.00 0.24 C ATOM 1422 NE2 HIS A 88 -2.817 4.653 -6.857 1.00 -0.50 N ATOM 0 H HIS A 88 -2.732 -1.864 -7.133 1.00 -0.46 H new ATOM 0 HA HIS A 88 -2.007 0.589 -5.786 1.00 0.04 H new ATOM 0 HB2 HIS A 88 -1.588 1.076 -8.235 1.00 -0.10 H new ATOM 0 HB3 HIS A 88 -3.275 0.709 -8.540 1.00 -0.10 H new ATOM 0 HD1 HIS A 88 -5.057 2.604 -7.856 1.00 -0.15 H new ATOM 0 HD2 HIS A 88 -1.029 3.351 -6.844 1.00 0.20 H new ATOM 0 HE1 HIS A 88 -4.901 5.067 -7.171 1.00 0.24 H new ATOM 1430 N ILE A 89 -4.550 0.848 -5.289 1.00 -0.46 N ATOM 1431 CA ILE A 89 -5.954 0.857 -4.904 1.00 0.04 C ATOM 1432 C ILE A 89 -6.471 2.293 -4.996 1.00 0.62 C ATOM 1433 O ILE A 89 -5.775 3.231 -4.610 1.00 -0.50 O ATOM 1434 CB ILE A 89 -6.172 0.246 -3.503 1.00 -0.01 C ATOM 1435 CG1 ILE A 89 -5.717 -1.226 -3.454 1.00 -0.05 C ATOM 1436 CG2 ILE A 89 -7.665 0.360 -3.165 1.00 -0.09 C ATOM 1437 CD1 ILE A 89 -5.898 -1.886 -2.082 1.00 -0.09 C ATOM 0 H ILE A 89 -4.016 1.633 -4.915 1.00 -0.46 H new ATOM 0 HA ILE A 89 -6.523 0.227 -5.588 1.00 0.04 H new ATOM 0 HB ILE A 89 -5.573 0.788 -2.771 1.00 -0.01 H new ATOM 0 HG12 ILE A 89 -6.277 -1.794 -4.197 1.00 -0.05 H new ATOM 0 HG13 ILE A 89 -4.666 -1.281 -3.737 1.00 -0.05 H new ATOM 0 HG21 ILE A 89 -7.848 -0.065 -2.178 1.00 -0.09 H new ATOM 0 HG22 ILE A 89 -7.960 1.409 -3.169 1.00 -0.09 H new ATOM 0 HG23 ILE A 89 -8.249 -0.183 -3.908 1.00 -0.09 H new ATOM 0 HD11 ILE A 89 -5.556 -2.920 -2.128 1.00 -0.09 H new ATOM 0 HD12 ILE A 89 -5.315 -1.343 -1.338 1.00 -0.09 H new ATOM 0 HD13 ILE A 89 -6.952 -1.865 -1.804 1.00 -0.09 H new ATOM 1449 N ASP A 90 -7.694 2.435 -5.516 1.00 -0.46 N ATOM 1450 CA ASP A 90 -8.392 3.691 -5.729 1.00 0.04 C ATOM 1451 C ASP A 90 -9.650 3.668 -4.859 1.00 0.62 C ATOM 1452 O ASP A 90 -10.748 3.380 -5.338 1.00 -0.50 O ATOM 1453 CB ASP A 90 -8.725 3.830 -7.222 1.00 -0.40 C ATOM 1454 CG ASP A 90 -7.481 3.824 -8.111 1.00 0.71 C ATOM 1455 OD1 ASP A 90 -6.925 2.723 -8.323 1.00 -0.72 O ATOM 1456 OD2 ASP A 90 -7.103 4.923 -8.566 1.00 -0.72 O ATOM 0 H ASP A 90 -8.246 1.630 -5.813 1.00 -0.46 H new ATOM 0 HA ASP A 90 -7.783 4.551 -5.449 1.00 0.04 H new ATOM 0 HB2 ASP A 90 -9.383 3.013 -7.520 1.00 -0.40 H new ATOM 0 HB3 ASP A 90 -9.275 4.757 -7.382 1.00 -0.40 H new ATOM 1461 N PHE A 91 -9.481 3.945 -3.560 1.00 -0.46 N ATOM 1462 CA PHE A 91 -10.570 3.915 -2.593 1.00 0.04 C ATOM 1463 C PHE A 91 -11.508 5.107 -2.791 1.00 0.62 C ATOM 1464 O PHE A 91 -11.107 6.120 -3.360 1.00 -0.50 O ATOM 1465 CB PHE A 91 -10.013 3.933 -1.166 1.00 -0.10 C ATOM 1466 CG PHE A 91 -9.123 2.764 -0.790 1.00 -0.10 C ATOM 1467 CD1 PHE A 91 -9.709 1.550 -0.387 1.00 -0.15 C ATOM 1468 CD2 PHE A 91 -7.728 2.932 -0.689 1.00 -0.15 C ATOM 1469 CE1 PHE A 91 -8.912 0.524 0.147 1.00 -0.15 C ATOM 1470 CE2 PHE A 91 -6.930 1.901 -0.163 1.00 -0.15 C ATOM 1471 CZ PHE A 91 -7.525 0.704 0.274 1.00 -0.15 C ATOM 0 H PHE A 91 -8.579 4.196 -3.155 1.00 -0.46 H new ATOM 0 HA PHE A 91 -11.134 2.996 -2.750 1.00 0.04 H new ATOM 0 HB2 PHE A 91 -9.448 4.855 -1.028 1.00 -0.10 H new ATOM 0 HB3 PHE A 91 -10.851 3.966 -0.470 1.00 -0.10 H new ATOM 0 HD1 PHE A 91 -10.775 1.407 -0.489 1.00 -0.15 H new ATOM 0 HD2 PHE A 91 -7.271 3.854 -1.016 1.00 -0.15 H new ATOM 0 HE1 PHE A 91 -9.366 -0.404 0.460 1.00 -0.15 H new ATOM 0 HE2 PHE A 91 -5.860 2.028 -0.094 1.00 -0.15 H new ATOM 0 HZ PHE A 91 -6.916 -0.076 0.707 1.00 -0.15 H new ATOM 1481 N VAL A 92 -12.743 4.993 -2.287 1.00 -0.46 N ATOM 1482 CA VAL A 92 -13.708 6.084 -2.203 1.00 0.04 C ATOM 1483 C VAL A 92 -14.296 6.086 -0.793 1.00 0.62 C ATOM 1484 O VAL A 92 -14.645 5.028 -0.270 1.00 -0.50 O ATOM 1485 CB VAL A 92 -14.793 5.936 -3.286 1.00 -0.01 C ATOM 1486 CG1 VAL A 92 -16.006 6.837 -3.021 1.00 -0.09 C ATOM 1487 CG2 VAL A 92 -14.222 6.319 -4.658 1.00 -0.09 C ATOM 0 H VAL A 92 -13.103 4.113 -1.918 1.00 -0.46 H new ATOM 0 HA VAL A 92 -13.222 7.042 -2.387 1.00 0.04 H new ATOM 0 HB VAL A 92 -15.112 4.894 -3.266 1.00 -0.01 H new ATOM 0 HG11 VAL A 92 -16.743 6.697 -3.812 1.00 -0.09 H new ATOM 0 HG12 VAL A 92 -16.450 6.576 -2.060 1.00 -0.09 H new ATOM 0 HG13 VAL A 92 -15.688 7.879 -3.002 1.00 -0.09 H new ATOM 0 HG21 VAL A 92 -14.996 6.211 -5.417 1.00 -0.09 H new ATOM 0 HG22 VAL A 92 -13.879 7.353 -4.634 1.00 -0.09 H new ATOM 0 HG23 VAL A 92 -13.384 5.665 -4.899 1.00 -0.09 H new ATOM 1497 N ARG A 93 -14.390 7.278 -0.186 1.00 -0.46 N ATOM 1498 CA ARG A 93 -14.918 7.484 1.158 1.00 0.04 C ATOM 1499 C ARG A 93 -16.359 6.983 1.273 1.00 0.62 C ATOM 1500 O ARG A 93 -17.168 7.195 0.370 1.00 -0.50 O ATOM 1501 CB ARG A 93 -14.829 8.969 1.534 1.00 -0.08 C ATOM 1502 CG ARG A 93 -13.376 9.387 1.787 1.00 -0.10 C ATOM 1503 CD ARG A 93 -13.297 10.877 2.127 1.00 -0.23 C ATOM 1504 NE ARG A 93 -11.934 11.257 2.522 1.00 -0.32 N ATOM 1505 CZ ARG A 93 -11.495 12.519 2.671 1.00 0.76 C ATOM 1506 NH1 ARG A 93 -12.296 13.561 2.411 1.00 -0.62 N ATOM 1507 NH2 ARG A 93 -10.240 12.737 3.088 1.00 -0.62 N ATOM 0 H ARG A 93 -14.091 8.144 -0.634 1.00 -0.46 H new ATOM 0 HA ARG A 93 -14.313 6.905 1.855 1.00 0.04 H new ATOM 0 HB2 ARG A 93 -15.251 9.576 0.733 1.00 -0.08 H new ATOM 0 HB3 ARG A 93 -15.426 9.158 2.426 1.00 -0.08 H new ATOM 0 HG2 ARG A 93 -12.960 8.799 2.605 1.00 -0.10 H new ATOM 0 HG3 ARG A 93 -12.772 9.177 0.904 1.00 -0.10 H new ATOM 0 HD2 ARG A 93 -13.607 11.467 1.265 1.00 -0.23 H new ATOM 0 HD3 ARG A 93 -13.991 11.106 2.936 1.00 -0.23 H new ATOM 0 HE ARG A 93 -11.268 10.504 2.697 1.00 -0.32 H new ATOM 0 HH11 ARG A 93 -13.253 13.402 2.095 1.00 -0.62 H new ATOM 0 HH12 ARG A 93 -11.949 14.513 2.529 1.00 -0.62 H new ATOM 0 HH21 ARG A 93 -9.625 11.948 3.290 1.00 -0.62 H new ATOM 0 HH22 ARG A 93 -9.900 13.692 3.203 1.00 -0.62 H new ATOM 1521 N ALA A 94 -16.675 6.322 2.393 1.00 -0.46 N ATOM 1522 CA ALA A 94 -17.998 5.783 2.667 1.00 0.04 C ATOM 1523 C ALA A 94 -18.988 6.908 2.964 1.00 0.62 C ATOM 1524 O ALA A 94 -18.623 7.945 3.515 1.00 -0.50 O ATOM 1525 CB ALA A 94 -17.918 4.800 3.839 1.00 -0.10 C ATOM 0 H ALA A 94 -16.004 6.148 3.141 1.00 -0.46 H new ATOM 0 HA ALA A 94 -18.357 5.251 1.786 1.00 0.04 H new ATOM 0 HB1 ALA A 94 -18.910 4.397 4.044 1.00 -0.10 H new ATOM 0 HB2 ALA A 94 -17.240 3.985 3.585 1.00 -0.10 H new ATOM 0 HB3 ALA A 94 -17.547 5.318 4.724 1.00 -0.10 H new TER 1531 ALA A 94