USER MOD reduce.3.24.130724 H: found=0, std=0, add=897, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 895 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 71 ASN : amide:sc= 0.488 X(o=1.5,f=1.3) USER MOD Set 1.2: A 74 THR OG1 : rot -160:sc= 1.05 USER MOD Set 2.1: A 13 TYR OH : rot 30:sc= 1.23 USER MOD Set 2.2: A 88 ASN : amide:sc= -1.69 K(o=-0.45,f=-1.7) USER MOD Single : A 1 GLU N :NH3+ -139:sc= -3.5! (180deg=-7.71!) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 4 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.4) USER MOD Single : A 9 THR OG1 : rot 80:sc= 1.19 USER MOD Single : A 10 TYR OH : rot -177:sc= 0.0384 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 TYR OH : rot -130:sc= 0.162 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0.0032) USER MOD Single : A 19 ASN :FLIP amide:sc= -0.229 F(o=-0.8,f=-0.23) USER MOD Single : A 28 SER OG : rot -102:sc= 1.14 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0304 USER MOD Single : A 37 SER OG : rot -100:sc= 0.404 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.188 USER MOD Single : A 44 SER OG : rot -89:sc= 0.901 USER MOD Single : A 45 LYS NZ :NH3+ 150:sc= 0.608 (180deg=0.122) USER MOD Single : A 46 TYR OH : rot -93:sc= 0.0775 USER MOD Single : A 49 THR OG1 : rot -16:sc= 1.14 USER MOD Single : A 60 GLN : amide:sc= -0.0228 K(o=-0.023,f=-1.1) USER MOD Single : A 65 LYS NZ :NH3+ 139:sc= 1.09 (180deg=-1.27) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0.205 K(o=0.21,f=-6!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN :FLIP amide:sc= -0.566 F(o=-3.8!,f=-0.57) USER MOD Single : A 97 THR OG1 : rot 176:sc= -0.965 USER MOD Single : A 100 THR OG1 : rot -64:sc= -2.59! USER MOD Single : A 101 LYS NZ :NH3+ 159:sc= -0.0452 (180deg=-0.472) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.672 USER MOD Single : A 105 ASN :FLIP amide:sc= -1.26 F(o=-2.4,f=-1.3) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 111 GLN : amide:sc= -0.0942 K(o=-0.094,f=-2.2!) USER MOD Single : A 113 HIS : no HD1:sc= -0.417 K(o=-0.42,f=-1.4!) USER MOD Single : A 115 ASN : amide:sc= 0.902 K(o=0.9,f=-2.4!) USER MOD Single : A 117 ASN : amide:sc= -1.74! C(o=-1.7!,f=-9.1!) USER MOD Single : A 118 TYR OH : rot 9:sc= -0.393 USER MOD Single : A 119 GLN :FLIP amide:sc= -3.42! C(o=-3.9!,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 2.550 13.676 0.526 1.00 0.00 N ATOM 2 CA GLU A 1 2.733 14.191 -0.875 1.00 0.00 C ATOM 3 C GLU A 1 3.969 13.600 -1.583 1.00 0.00 C ATOM 4 O GLU A 1 3.834 12.715 -2.404 1.00 0.00 O ATOM 5 CB GLU A 1 2.797 15.766 -0.791 1.00 0.00 C ATOM 6 CG GLU A 1 1.381 16.298 -0.310 1.00 0.00 C ATOM 7 CD GLU A 1 0.936 15.561 0.946 1.00 0.00 C ATOM 8 OE1 GLU A 1 1.499 15.854 1.981 1.00 0.00 O ATOM 9 OE2 GLU A 1 0.096 14.704 0.783 1.00 0.00 O ATOM 0 H1 GLU A 1 1.541 13.491 0.699 1.00 0.00 H new ATOM 0 H2 GLU A 1 3.089 12.795 0.645 1.00 0.00 H new ATOM 0 H3 GLU A 1 2.893 14.386 1.204 1.00 0.00 H new ATOM 0 HA GLU A 1 1.891 13.873 -1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 1 3.576 16.078 -0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 1 3.051 16.188 -1.763 1.00 0.00 H new ATOM 0 HG2 GLU A 1 1.436 17.368 -0.111 1.00 0.00 H new ATOM 0 HG3 GLU A 1 0.645 16.158 -1.102 1.00 0.00 H new ATOM 18 N GLN A 2 5.148 14.071 -1.275 1.00 0.00 N ATOM 19 CA GLN A 2 6.377 13.524 -1.936 1.00 0.00 C ATOM 20 C GLN A 2 7.453 13.034 -0.936 1.00 0.00 C ATOM 21 O GLN A 2 8.011 13.841 -0.219 1.00 0.00 O ATOM 22 CB GLN A 2 6.924 14.649 -2.845 1.00 0.00 C ATOM 23 CG GLN A 2 5.869 15.029 -3.932 1.00 0.00 C ATOM 24 CD GLN A 2 6.533 15.807 -5.059 1.00 0.00 C ATOM 25 OE1 GLN A 2 7.166 15.246 -5.922 1.00 0.00 O ATOM 26 NE2 GLN A 2 6.441 17.090 -5.121 1.00 0.00 N ATOM 0 H GLN A 2 5.317 14.811 -0.594 1.00 0.00 H new ATOM 0 HA GLN A 2 6.115 12.634 -2.508 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.168 15.525 -2.244 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.848 14.323 -3.323 1.00 0.00 H new ATOM 0 HG2 GLN A 2 5.403 14.127 -4.328 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.075 15.628 -3.485 1.00 0.00 H new ATOM 0 HE21 GLN A 2 5.915 17.599 -4.410 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.894 17.598 -5.881 1.00 0.00 H new ATOM 35 N ALA A 3 7.735 11.752 -0.891 1.00 0.00 N ATOM 36 CA ALA A 3 8.774 11.228 0.058 1.00 0.00 C ATOM 37 C ALA A 3 9.870 10.448 -0.737 1.00 0.00 C ATOM 38 O ALA A 3 9.570 9.628 -1.588 1.00 0.00 O ATOM 39 CB ALA A 3 8.028 10.338 1.045 1.00 0.00 C ATOM 0 H ALA A 3 7.289 11.043 -1.473 1.00 0.00 H new ATOM 0 HA ALA A 3 9.294 12.023 0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 3 8.733 9.924 1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.276 10.927 1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.541 9.525 0.506 1.00 0.00 H new ATOM 45 N ASN A 4 11.112 10.708 -0.454 1.00 0.00 N ATOM 46 CA ASN A 4 12.218 10.005 -1.173 1.00 0.00 C ATOM 47 C ASN A 4 13.136 9.274 -0.190 1.00 0.00 C ATOM 48 O ASN A 4 12.958 9.374 1.005 1.00 0.00 O ATOM 49 CB ASN A 4 12.967 11.073 -2.003 1.00 0.00 C ATOM 50 CG ASN A 4 13.234 12.314 -1.173 1.00 0.00 C ATOM 51 OD1 ASN A 4 13.623 12.302 -0.032 1.00 0.00 O ATOM 52 ND2 ASN A 4 13.038 13.468 -1.702 1.00 0.00 N ATOM 0 H ASN A 4 11.416 11.382 0.249 1.00 0.00 H new ATOM 0 HA ASN A 4 11.829 9.232 -1.836 1.00 0.00 H new ATOM 0 HB2 ASN A 4 13.910 10.663 -2.365 1.00 0.00 H new ATOM 0 HB3 ASN A 4 12.377 11.337 -2.880 1.00 0.00 H new ATOM 0 HD21 ASN A 4 13.211 14.314 -1.159 1.00 0.00 H new ATOM 0 HD22 ASN A 4 12.709 13.538 -2.665 1.00 0.00 H new ATOM 59 N ASP A 5 14.083 8.570 -0.741 1.00 0.00 N ATOM 60 CA ASP A 5 15.065 7.782 0.048 1.00 0.00 C ATOM 61 C ASP A 5 14.388 7.167 1.311 1.00 0.00 C ATOM 62 O ASP A 5 14.824 7.300 2.441 1.00 0.00 O ATOM 63 CB ASP A 5 16.197 8.816 0.306 1.00 0.00 C ATOM 64 CG ASP A 5 17.371 8.190 1.031 1.00 0.00 C ATOM 65 OD1 ASP A 5 17.682 7.072 0.644 1.00 0.00 O ATOM 66 OD2 ASP A 5 17.879 8.861 1.907 1.00 0.00 O ATOM 0 H ASP A 5 14.220 8.508 -1.750 1.00 0.00 H new ATOM 0 HA ASP A 5 15.470 6.897 -0.443 1.00 0.00 H new ATOM 0 HB2 ASP A 5 16.535 9.231 -0.644 1.00 0.00 H new ATOM 0 HB3 ASP A 5 15.805 9.645 0.895 1.00 0.00 H new ATOM 71 N VAL A 6 13.302 6.475 1.038 1.00 0.00 N ATOM 72 CA VAL A 6 12.523 5.826 2.137 1.00 0.00 C ATOM 73 C VAL A 6 12.727 4.300 2.109 1.00 0.00 C ATOM 74 O VAL A 6 12.741 3.653 1.072 1.00 0.00 O ATOM 75 CB VAL A 6 10.989 6.108 1.977 1.00 0.00 C ATOM 76 CG1 VAL A 6 10.232 5.747 3.278 1.00 0.00 C ATOM 77 CG2 VAL A 6 10.656 7.572 1.680 1.00 0.00 C ATOM 0 H VAL A 6 12.925 6.334 0.101 1.00 0.00 H new ATOM 0 HA VAL A 6 12.881 6.241 3.079 1.00 0.00 H new ATOM 0 HB VAL A 6 10.682 5.494 1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.169 5.949 3.148 1.00 0.00 H new ATOM 0 HG12 VAL A 6 10.376 4.690 3.501 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.618 6.347 4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 6 9.576 7.687 1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 6 11.016 8.200 2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 6 11.138 7.873 0.750 1.00 0.00 H new ATOM 87 N ARG A 7 12.864 3.746 3.280 1.00 0.00 N ATOM 88 CA ARG A 7 13.059 2.265 3.359 1.00 0.00 C ATOM 89 C ARG A 7 11.634 1.734 3.191 1.00 0.00 C ATOM 90 O ARG A 7 10.868 1.687 4.139 1.00 0.00 O ATOM 91 CB ARG A 7 13.637 1.902 4.735 1.00 0.00 C ATOM 92 CG ARG A 7 15.140 2.232 4.827 1.00 0.00 C ATOM 93 CD ARG A 7 15.414 3.738 4.718 1.00 0.00 C ATOM 94 NE ARG A 7 16.786 3.910 5.294 1.00 0.00 N ATOM 95 CZ ARG A 7 16.985 4.589 6.356 1.00 0.00 C ATOM 96 NH1 ARG A 7 16.291 4.302 7.384 1.00 0.00 N ATOM 97 NH2 ARG A 7 17.860 5.504 6.329 1.00 0.00 N ATOM 0 H ARG A 7 12.851 4.240 4.173 1.00 0.00 H new ATOM 0 HA ARG A 7 13.749 1.856 2.621 1.00 0.00 H new ATOM 0 HB2 ARG A 7 13.097 2.444 5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 7 13.485 0.839 4.925 1.00 0.00 H new ATOM 0 HG2 ARG A 7 15.534 1.861 5.773 1.00 0.00 H new ATOM 0 HG3 ARG A 7 15.674 1.710 4.033 1.00 0.00 H new ATOM 0 HD2 ARG A 7 15.373 4.075 3.682 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.675 4.317 5.272 1.00 0.00 H new ATOM 0 HE ARG A 7 17.580 3.474 4.826 1.00 0.00 H new ATOM 0 HH11 ARG A 7 15.603 3.550 7.341 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.423 4.824 8.250 1.00 0.00 H new ATOM 0 HH21 ARG A 7 18.385 5.683 5.473 1.00 0.00 H new ATOM 0 HH22 ARG A 7 18.040 6.062 7.163 1.00 0.00 H new ATOM 111 N ALA A 8 11.314 1.358 1.985 1.00 0.00 N ATOM 112 CA ALA A 8 9.951 0.840 1.710 1.00 0.00 C ATOM 113 C ALA A 8 9.851 -0.649 2.039 1.00 0.00 C ATOM 114 O ALA A 8 10.612 -1.473 1.559 1.00 0.00 O ATOM 115 CB ALA A 8 9.648 1.135 0.202 1.00 0.00 C ATOM 0 H ALA A 8 11.939 1.388 1.180 1.00 0.00 H new ATOM 0 HA ALA A 8 9.210 1.331 2.341 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.652 0.770 -0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 8 9.696 2.209 0.025 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.386 0.631 -0.423 1.00 0.00 H new ATOM 121 N THR A 9 8.883 -0.910 2.870 1.00 0.00 N ATOM 122 CA THR A 9 8.569 -2.291 3.345 1.00 0.00 C ATOM 123 C THR A 9 7.784 -2.822 2.165 1.00 0.00 C ATOM 124 O THR A 9 6.708 -2.346 1.875 1.00 0.00 O ATOM 125 CB THR A 9 7.703 -2.185 4.613 1.00 0.00 C ATOM 126 OG1 THR A 9 6.800 -1.127 4.296 1.00 0.00 O ATOM 127 CG2 THR A 9 8.508 -1.574 5.767 1.00 0.00 C ATOM 0 H THR A 9 8.269 -0.193 3.257 1.00 0.00 H new ATOM 0 HA THR A 9 9.419 -2.918 3.612 1.00 0.00 H new ATOM 0 HB THR A 9 7.290 -3.158 4.880 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.076 -1.472 3.733 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.879 -1.507 6.654 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.372 -2.203 5.981 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.846 -0.577 5.486 1.00 0.00 H new ATOM 135 N TYR A 10 8.297 -3.801 1.487 1.00 0.00 N ATOM 136 CA TYR A 10 7.521 -4.301 0.318 1.00 0.00 C ATOM 137 C TYR A 10 6.381 -5.254 0.751 1.00 0.00 C ATOM 138 O TYR A 10 6.347 -6.417 0.398 1.00 0.00 O ATOM 139 CB TYR A 10 8.573 -4.964 -0.656 1.00 0.00 C ATOM 140 CG TYR A 10 8.935 -6.412 -0.287 1.00 0.00 C ATOM 141 CD1 TYR A 10 9.640 -6.698 0.855 1.00 0.00 C ATOM 142 CD2 TYR A 10 8.540 -7.452 -1.103 1.00 0.00 C ATOM 143 CE1 TYR A 10 9.945 -8.002 1.185 1.00 0.00 C ATOM 144 CE2 TYR A 10 8.843 -8.756 -0.773 1.00 0.00 C ATOM 145 CZ TYR A 10 9.550 -9.042 0.376 1.00 0.00 C ATOM 146 OH TYR A 10 9.852 -10.339 0.726 1.00 0.00 O ATOM 0 H TYR A 10 9.185 -4.265 1.676 1.00 0.00 H new ATOM 0 HA TYR A 10 7.002 -3.494 -0.199 1.00 0.00 H new ATOM 0 HB2 TYR A 10 8.176 -4.946 -1.671 1.00 0.00 H new ATOM 0 HB3 TYR A 10 9.482 -4.362 -0.659 1.00 0.00 H new ATOM 0 HD1 TYR A 10 9.959 -5.894 1.502 1.00 0.00 H new ATOM 0 HD2 TYR A 10 7.989 -7.243 -2.008 1.00 0.00 H new ATOM 0 HE1 TYR A 10 10.500 -8.209 2.088 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.524 -9.560 -1.420 1.00 0.00 H new ATOM 0 HH TYR A 10 9.542 -10.948 0.023 1.00 0.00 H new ATOM 156 N HIS A 11 5.455 -4.725 1.515 1.00 0.00 N ATOM 157 CA HIS A 11 4.340 -5.611 1.941 1.00 0.00 C ATOM 158 C HIS A 11 3.135 -4.997 1.224 1.00 0.00 C ATOM 159 O HIS A 11 2.843 -3.815 1.245 1.00 0.00 O ATOM 160 CB HIS A 11 4.130 -5.584 3.478 1.00 0.00 C ATOM 161 CG HIS A 11 3.807 -7.010 3.917 1.00 0.00 C ATOM 162 ND1 HIS A 11 4.660 -7.849 4.395 1.00 0.00 N ATOM 163 CD2 HIS A 11 2.613 -7.709 3.894 1.00 0.00 C ATOM 164 CE1 HIS A 11 4.070 -8.974 4.652 1.00 0.00 C ATOM 165 NE2 HIS A 11 2.795 -8.930 4.356 1.00 0.00 N ATOM 0 H HIS A 11 5.424 -3.761 1.847 1.00 0.00 H new ATOM 0 HA HIS A 11 4.518 -6.658 1.698 1.00 0.00 H new ATOM 0 HB2 HIS A 11 5.026 -5.220 3.982 1.00 0.00 H new ATOM 0 HB3 HIS A 11 3.318 -4.907 3.743 1.00 0.00 H new ATOM 0 HD2 HIS A 11 1.670 -7.312 3.548 1.00 0.00 H new ATOM 0 HE1 HIS A 11 4.568 -9.841 5.060 1.00 0.00 H new ATOM 0 HE2 HIS A 11 2.102 -9.671 4.459 1.00 0.00 H new ATOM 173 N TYR A 12 2.469 -5.864 0.562 1.00 0.00 N ATOM 174 CA TYR A 12 1.282 -5.452 -0.192 1.00 0.00 C ATOM 175 C TYR A 12 0.355 -6.632 -0.259 1.00 0.00 C ATOM 176 O TYR A 12 0.751 -7.729 0.094 1.00 0.00 O ATOM 177 CB TYR A 12 1.785 -5.013 -1.590 1.00 0.00 C ATOM 178 CG TYR A 12 2.910 -5.983 -2.023 1.00 0.00 C ATOM 179 CD1 TYR A 12 2.634 -7.291 -2.354 1.00 0.00 C ATOM 180 CD2 TYR A 12 4.225 -5.559 -2.054 1.00 0.00 C ATOM 181 CE1 TYR A 12 3.659 -8.149 -2.702 1.00 0.00 C ATOM 182 CE2 TYR A 12 5.239 -6.436 -2.409 1.00 0.00 C ATOM 183 CZ TYR A 12 4.964 -7.734 -2.735 1.00 0.00 C ATOM 184 OH TYR A 12 6.005 -8.573 -3.092 1.00 0.00 O ATOM 0 H TYR A 12 2.696 -6.857 0.508 1.00 0.00 H new ATOM 0 HA TYR A 12 0.736 -4.626 0.264 1.00 0.00 H new ATOM 0 HB2 TYR A 12 0.968 -5.031 -2.311 1.00 0.00 H new ATOM 0 HB3 TYR A 12 2.157 -3.989 -1.556 1.00 0.00 H new ATOM 0 HD1 TYR A 12 1.614 -7.647 -2.341 1.00 0.00 H new ATOM 0 HD2 TYR A 12 4.465 -4.537 -1.800 1.00 0.00 H new ATOM 0 HE1 TYR A 12 3.426 -9.173 -2.954 1.00 0.00 H new ATOM 0 HE2 TYR A 12 6.261 -6.088 -2.428 1.00 0.00 H new ATOM 0 HH TYR A 12 6.716 -8.517 -2.420 1.00 0.00 H new ATOM 194 N TYR A 13 -0.842 -6.389 -0.690 1.00 0.00 N ATOM 195 CA TYR A 13 -1.806 -7.518 -0.814 1.00 0.00 C ATOM 196 C TYR A 13 -1.738 -7.802 -2.331 1.00 0.00 C ATOM 197 O TYR A 13 -1.465 -6.898 -3.122 1.00 0.00 O ATOM 198 CB TYR A 13 -3.271 -7.133 -0.477 1.00 0.00 C ATOM 199 CG TYR A 13 -3.605 -7.056 1.011 1.00 0.00 C ATOM 200 CD1 TYR A 13 -2.659 -6.982 2.011 1.00 0.00 C ATOM 201 CD2 TYR A 13 -4.946 -7.071 1.344 1.00 0.00 C ATOM 202 CE1 TYR A 13 -3.070 -6.926 3.327 1.00 0.00 C ATOM 203 CE2 TYR A 13 -5.358 -7.014 2.655 1.00 0.00 C ATOM 204 CZ TYR A 13 -4.416 -6.943 3.654 1.00 0.00 C ATOM 205 OH TYR A 13 -4.813 -6.894 4.969 1.00 0.00 O ATOM 0 H TYR A 13 -1.197 -5.472 -0.960 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.555 -8.335 -0.137 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.488 -6.166 -0.931 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.936 -7.860 -0.944 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -1.607 -6.968 1.767 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.686 -7.129 0.559 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.332 -6.868 4.113 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -6.410 -7.025 2.897 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.152 -6.394 5.492 1.00 0.00 H new ATOM 215 N ARG A 14 -2.005 -9.047 -2.639 1.00 0.00 N ATOM 216 CA ARG A 14 -1.989 -9.519 -4.068 1.00 0.00 C ATOM 217 C ARG A 14 -3.386 -10.083 -4.462 1.00 0.00 C ATOM 218 O ARG A 14 -3.522 -11.209 -4.917 1.00 0.00 O ATOM 219 CB ARG A 14 -0.909 -10.590 -4.136 1.00 0.00 C ATOM 220 CG ARG A 14 -0.626 -11.016 -5.594 1.00 0.00 C ATOM 221 CD ARG A 14 0.022 -12.392 -5.571 1.00 0.00 C ATOM 222 NE ARG A 14 1.357 -12.179 -4.930 1.00 0.00 N ATOM 223 CZ ARG A 14 1.675 -12.620 -3.776 1.00 0.00 C ATOM 224 NH1 ARG A 14 1.393 -13.811 -3.431 1.00 0.00 N ATOM 225 NH2 ARG A 14 2.278 -11.791 -3.032 1.00 0.00 N ATOM 0 H ARG A 14 -2.237 -9.769 -1.956 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.776 -8.711 -4.768 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.007 -10.214 -3.681 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.219 -11.459 -3.556 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.552 -11.042 -6.169 1.00 0.00 H new ATOM 0 HG3 ARG A 14 0.031 -10.295 -6.080 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.580 -13.102 -5.004 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.127 -12.796 -6.578 1.00 0.00 H new ATOM 0 HE ARG A 14 2.057 -11.648 -5.448 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.906 -14.428 -4.081 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.654 -14.149 -2.505 1.00 0.00 H new ATOM 0 HH21 ARG A 14 2.474 -10.850 -3.372 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.567 -12.065 -2.093 1.00 0.00 H new ATOM 239 N PRO A 15 -4.429 -9.311 -4.285 1.00 0.00 N ATOM 240 CA PRO A 15 -5.807 -9.861 -4.158 1.00 0.00 C ATOM 241 C PRO A 15 -6.240 -10.742 -5.338 1.00 0.00 C ATOM 242 O PRO A 15 -7.055 -11.628 -5.168 1.00 0.00 O ATOM 243 CB PRO A 15 -6.670 -8.609 -3.974 1.00 0.00 C ATOM 244 CG PRO A 15 -5.708 -7.624 -3.297 1.00 0.00 C ATOM 245 CD PRO A 15 -4.467 -7.822 -4.171 1.00 0.00 C ATOM 0 HA PRO A 15 -5.898 -10.557 -3.324 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -7.035 -8.226 -4.927 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -7.545 -8.809 -3.355 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -6.076 -6.598 -3.322 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -5.525 -7.872 -2.251 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -4.566 -7.337 -5.142 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -3.567 -7.422 -3.705 1.00 0.00 H new ATOM 253 N ALA A 16 -5.683 -10.466 -6.494 1.00 0.00 N ATOM 254 CA ALA A 16 -6.011 -11.228 -7.743 1.00 0.00 C ATOM 255 C ALA A 16 -6.394 -12.707 -7.549 1.00 0.00 C ATOM 256 O ALA A 16 -7.242 -13.152 -8.290 1.00 0.00 O ATOM 257 CB ALA A 16 -4.816 -11.051 -8.690 1.00 0.00 C ATOM 0 H ALA A 16 -4.996 -9.724 -6.627 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.929 -10.815 -8.162 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.005 -11.589 -9.619 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.677 -9.992 -8.906 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.916 -11.446 -8.218 1.00 0.00 H new ATOM 263 N GLN A 17 -5.789 -13.412 -6.614 1.00 0.00 N ATOM 264 CA GLN A 17 -6.133 -14.871 -6.359 1.00 0.00 C ATOM 265 C GLN A 17 -7.620 -15.241 -6.630 1.00 0.00 C ATOM 266 O GLN A 17 -7.903 -16.210 -7.305 1.00 0.00 O ATOM 267 CB GLN A 17 -5.776 -15.251 -4.873 1.00 0.00 C ATOM 268 CG GLN A 17 -6.235 -14.183 -3.819 1.00 0.00 C ATOM 269 CD GLN A 17 -6.211 -14.751 -2.390 1.00 0.00 C ATOM 270 OE1 GLN A 17 -5.370 -15.528 -1.996 1.00 0.00 O ATOM 271 NE2 GLN A 17 -7.115 -14.403 -1.534 1.00 0.00 N ATOM 0 H GLN A 17 -5.061 -13.040 -6.005 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.537 -15.441 -7.072 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -6.238 -16.208 -4.631 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.698 -15.388 -4.792 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.583 -13.311 -3.876 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.243 -13.843 -4.059 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -7.851 -13.751 -1.806 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -7.093 -14.780 -0.587 1.00 0.00 H new ATOM 280 N ASN A 18 -8.541 -14.470 -6.101 1.00 0.00 N ATOM 281 CA ASN A 18 -10.007 -14.750 -6.323 1.00 0.00 C ATOM 282 C ASN A 18 -10.392 -13.556 -7.242 1.00 0.00 C ATOM 283 O ASN A 18 -11.244 -12.729 -6.970 1.00 0.00 O ATOM 284 CB ASN A 18 -10.718 -14.714 -4.943 1.00 0.00 C ATOM 285 CG ASN A 18 -12.048 -15.488 -4.997 1.00 0.00 C ATOM 286 OD1 ASN A 18 -12.952 -15.172 -5.737 1.00 0.00 O ATOM 287 ND2 ASN A 18 -12.221 -16.521 -4.230 1.00 0.00 N ATOM 0 H ASN A 18 -8.345 -13.654 -5.522 1.00 0.00 H new ATOM 0 HA ASN A 18 -10.269 -15.713 -6.762 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -10.069 -15.148 -4.182 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -10.904 -13.681 -4.651 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -13.099 -17.039 -4.263 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -11.479 -16.814 -3.594 1.00 0.00 H new ATOM 294 N ASN A 19 -9.657 -13.550 -8.330 1.00 0.00 N ATOM 295 CA ASN A 19 -9.745 -12.534 -9.441 1.00 0.00 C ATOM 296 C ASN A 19 -9.976 -11.153 -8.789 1.00 0.00 C ATOM 297 O ASN A 19 -10.728 -10.330 -9.281 1.00 0.00 O ATOM 298 CB ASN A 19 -10.907 -12.971 -10.338 1.00 0.00 C ATOM 299 CG ASN A 19 -10.960 -12.129 -11.603 1.00 0.00 C ATOM 300 OD1 ASN A 19 -11.778 -11.134 -11.639 1.00 0.00 O flip ATOM 301 ND2 ASN A 19 -10.274 -12.333 -12.580 1.00 0.00 N flip ATOM 0 H ASN A 19 -8.947 -14.261 -8.506 1.00 0.00 H new ATOM 0 HA ASN A 19 -8.843 -12.465 -10.049 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -10.794 -14.023 -10.601 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -11.847 -12.878 -9.794 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.615 -13.112 -12.587 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.355 -11.726 -13.396 1.00 0.00 H new ATOM 308 N TRP A 20 -9.298 -10.993 -7.674 1.00 0.00 N ATOM 309 CA TRP A 20 -9.355 -9.754 -6.836 1.00 0.00 C ATOM 310 C TRP A 20 -10.670 -8.990 -6.888 1.00 0.00 C ATOM 311 O TRP A 20 -10.736 -7.792 -7.102 1.00 0.00 O ATOM 312 CB TRP A 20 -8.195 -8.732 -7.153 1.00 0.00 C ATOM 313 CG TRP A 20 -7.900 -8.131 -8.532 1.00 0.00 C ATOM 314 CD1 TRP A 20 -8.669 -8.120 -9.629 1.00 0.00 C ATOM 315 CD2 TRP A 20 -6.748 -7.507 -8.815 1.00 0.00 C ATOM 316 NE1 TRP A 20 -7.912 -7.486 -10.524 1.00 0.00 N ATOM 317 CE2 TRP A 20 -6.711 -7.066 -10.114 1.00 0.00 C ATOM 318 CE3 TRP A 20 -5.699 -7.263 -7.955 1.00 0.00 C ATOM 319 CZ2 TRP A 20 -5.564 -6.372 -10.512 1.00 0.00 C ATOM 320 CZ3 TRP A 20 -4.611 -6.573 -8.400 1.00 0.00 C ATOM 321 CH2 TRP A 20 -4.535 -6.131 -9.665 1.00 0.00 C ATOM 0 H TRP A 20 -8.678 -11.709 -7.296 1.00 0.00 H new ATOM 0 HA TRP A 20 -9.240 -10.161 -5.831 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -8.353 -7.885 -6.486 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -7.273 -9.219 -6.836 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -9.661 -8.526 -9.757 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.234 -7.328 -11.479 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.739 -7.616 -6.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -5.496 -6.016 -11.529 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.794 -6.378 -7.721 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -3.664 -5.590 -10.003 1.00 0.00 H new ATOM 332 N ASP A 21 -11.730 -9.719 -6.692 1.00 0.00 N ATOM 333 CA ASP A 21 -13.006 -9.007 -6.721 1.00 0.00 C ATOM 334 C ASP A 21 -13.156 -8.368 -5.335 1.00 0.00 C ATOM 335 O ASP A 21 -13.681 -8.963 -4.417 1.00 0.00 O ATOM 336 CB ASP A 21 -14.140 -9.977 -6.977 1.00 0.00 C ATOM 337 CG ASP A 21 -15.246 -8.999 -7.345 1.00 0.00 C ATOM 338 OD1 ASP A 21 -15.258 -8.701 -8.535 1.00 0.00 O ATOM 339 OD2 ASP A 21 -15.950 -8.597 -6.433 1.00 0.00 O ATOM 0 H ASP A 21 -11.761 -10.724 -6.522 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.034 -8.260 -7.514 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -13.917 -10.676 -7.783 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -14.386 -10.572 -6.098 1.00 0.00 H new ATOM 344 N LEU A 22 -12.660 -7.161 -5.225 1.00 0.00 N ATOM 345 CA LEU A 22 -12.697 -6.345 -3.971 1.00 0.00 C ATOM 346 C LEU A 22 -13.923 -6.604 -3.067 1.00 0.00 C ATOM 347 O LEU A 22 -13.829 -6.447 -1.862 1.00 0.00 O ATOM 348 CB LEU A 22 -12.604 -4.862 -4.414 1.00 0.00 C ATOM 349 CG LEU A 22 -11.253 -4.568 -5.151 1.00 0.00 C ATOM 350 CD1 LEU A 22 -11.186 -3.076 -5.501 1.00 0.00 C ATOM 351 CD2 LEU A 22 -10.020 -4.875 -4.232 1.00 0.00 C ATOM 0 H LEU A 22 -12.204 -6.682 -6.002 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.860 -6.633 -3.335 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.439 -4.625 -5.074 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.693 -4.214 -3.542 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.218 -5.200 -6.039 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.248 -2.864 -6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -12.022 -2.817 -6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.241 -2.485 -4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.099 -4.660 -4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.068 -4.253 -3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.034 -5.926 -3.943 1.00 0.00 H new ATOM 363 N GLY A 23 -15.017 -6.981 -3.685 1.00 0.00 N ATOM 364 CA GLY A 23 -16.282 -7.275 -2.929 1.00 0.00 C ATOM 365 C GLY A 23 -16.039 -8.316 -1.824 1.00 0.00 C ATOM 366 O GLY A 23 -16.574 -8.225 -0.741 1.00 0.00 O ATOM 0 H GLY A 23 -15.090 -7.100 -4.695 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -16.667 -6.356 -2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -17.043 -7.642 -3.617 1.00 0.00 H new ATOM 370 N ALA A 24 -15.228 -9.285 -2.153 1.00 0.00 N ATOM 371 CA ALA A 24 -14.838 -10.418 -1.253 1.00 0.00 C ATOM 372 C ALA A 24 -14.634 -10.023 0.242 1.00 0.00 C ATOM 373 O ALA A 24 -13.586 -9.518 0.608 1.00 0.00 O ATOM 374 CB ALA A 24 -13.550 -11.029 -1.837 1.00 0.00 C ATOM 0 H ALA A 24 -14.790 -9.340 -3.073 1.00 0.00 H new ATOM 0 HA ALA A 24 -15.661 -11.132 -1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -13.226 -11.862 -1.212 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.743 -11.388 -2.848 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -12.768 -10.271 -1.865 1.00 0.00 H new ATOM 380 N PRO A 25 -15.616 -10.270 1.086 1.00 0.00 N ATOM 381 CA PRO A 25 -15.761 -9.594 2.420 1.00 0.00 C ATOM 382 C PRO A 25 -14.429 -9.166 3.088 1.00 0.00 C ATOM 383 O PRO A 25 -14.173 -8.006 3.345 1.00 0.00 O ATOM 384 CB PRO A 25 -16.576 -10.626 3.268 1.00 0.00 C ATOM 385 CG PRO A 25 -16.832 -11.841 2.308 1.00 0.00 C ATOM 386 CD PRO A 25 -16.705 -11.260 0.884 1.00 0.00 C ATOM 0 HA PRO A 25 -16.263 -8.632 2.322 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.020 -10.935 4.153 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -17.515 -10.195 3.616 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.106 -12.636 2.476 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -17.820 -12.272 2.472 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.442 -12.021 0.149 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.630 -10.794 0.543 1.00 0.00 H new ATOM 394 N ALA A 26 -13.637 -10.174 3.327 1.00 0.00 N ATOM 395 CA ALA A 26 -12.281 -10.088 3.961 1.00 0.00 C ATOM 396 C ALA A 26 -11.368 -8.915 3.566 1.00 0.00 C ATOM 397 O ALA A 26 -10.485 -8.529 4.309 1.00 0.00 O ATOM 398 CB ALA A 26 -11.592 -11.440 3.673 1.00 0.00 C ATOM 0 H ALA A 26 -13.897 -11.131 3.089 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.446 -9.880 5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.594 -11.441 4.112 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.180 -12.248 4.108 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -11.515 -11.587 2.596 1.00 0.00 H new ATOM 404 N VAL A 27 -11.617 -8.395 2.399 1.00 0.00 N ATOM 405 CA VAL A 27 -10.812 -7.252 1.872 1.00 0.00 C ATOM 406 C VAL A 27 -11.574 -5.922 1.949 1.00 0.00 C ATOM 407 O VAL A 27 -11.153 -4.989 2.597 1.00 0.00 O ATOM 408 CB VAL A 27 -10.466 -7.472 0.393 1.00 0.00 C ATOM 409 CG1 VAL A 27 -9.298 -6.511 0.099 1.00 0.00 C ATOM 410 CG2 VAL A 27 -10.058 -8.936 0.069 1.00 0.00 C ATOM 0 H VAL A 27 -12.357 -8.717 1.775 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.917 -7.206 2.492 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.341 -7.279 -0.228 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.996 -6.613 -0.943 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.615 -5.485 0.286 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.455 -6.754 0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.826 -9.023 -0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -9.180 -9.207 0.655 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.881 -9.606 0.317 1.00 0.00 H new ATOM 420 N SER A 28 -12.663 -5.939 1.233 1.00 0.00 N ATOM 421 CA SER A 28 -13.607 -4.776 1.109 1.00 0.00 C ATOM 422 C SER A 28 -12.993 -3.334 1.234 1.00 0.00 C ATOM 423 O SER A 28 -12.922 -2.755 2.302 1.00 0.00 O ATOM 424 CB SER A 28 -14.740 -4.977 2.167 1.00 0.00 C ATOM 425 OG SER A 28 -14.080 -5.272 3.388 1.00 0.00 O ATOM 0 H SER A 28 -12.957 -6.755 0.697 1.00 0.00 H new ATOM 0 HA SER A 28 -13.967 -4.794 0.080 1.00 0.00 H new ATOM 0 HB2 SER A 28 -15.352 -4.080 2.260 1.00 0.00 H new ATOM 0 HB3 SER A 28 -15.407 -5.789 1.877 1.00 0.00 H new ATOM 0 HG SER A 28 -14.123 -6.236 3.558 1.00 0.00 H new ATOM 431 N ALA A 29 -12.579 -2.795 0.110 1.00 0.00 N ATOM 432 CA ALA A 29 -11.952 -1.426 0.057 1.00 0.00 C ATOM 433 C ALA A 29 -12.909 -0.204 -0.153 1.00 0.00 C ATOM 434 O ALA A 29 -14.046 -0.397 -0.550 1.00 0.00 O ATOM 435 CB ALA A 29 -10.921 -1.629 -1.024 1.00 0.00 C ATOM 0 H ALA A 29 -12.650 -3.256 -0.797 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.547 -1.115 1.020 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -10.371 -0.701 -1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.228 -2.415 -0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.417 -1.918 -1.950 1.00 0.00 H new ATOM 441 N TYR A 30 -12.405 1.001 0.093 1.00 0.00 N ATOM 442 CA TYR A 30 -13.208 2.269 -0.035 1.00 0.00 C ATOM 443 C TYR A 30 -14.210 2.465 -1.152 1.00 0.00 C ATOM 444 O TYR A 30 -15.406 2.556 -0.942 1.00 0.00 O ATOM 445 CB TYR A 30 -12.237 3.499 -0.082 1.00 0.00 C ATOM 446 CG TYR A 30 -12.519 4.452 1.081 1.00 0.00 C ATOM 447 CD1 TYR A 30 -13.800 4.947 1.239 1.00 0.00 C ATOM 448 CD2 TYR A 30 -11.536 4.839 1.960 1.00 0.00 C ATOM 449 CE1 TYR A 30 -14.096 5.819 2.264 1.00 0.00 C ATOM 450 CE2 TYR A 30 -11.833 5.710 2.988 1.00 0.00 C ATOM 451 CZ TYR A 30 -13.107 6.199 3.145 1.00 0.00 C ATOM 452 OH TYR A 30 -13.402 7.063 4.174 1.00 0.00 O ATOM 0 H TYR A 30 -11.440 1.154 0.386 1.00 0.00 H new ATOM 0 HA TYR A 30 -13.841 2.176 0.847 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -11.204 3.155 -0.035 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -12.355 4.027 -1.028 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -14.577 4.647 0.552 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -10.531 4.461 1.846 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -15.099 6.203 2.376 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -11.056 6.010 3.676 1.00 0.00 H new ATOM 0 HH TYR A 30 -12.594 7.228 4.704 1.00 0.00 H new ATOM 462 N CYS A 31 -13.658 2.510 -2.319 1.00 0.00 N ATOM 463 CA CYS A 31 -14.481 2.708 -3.529 1.00 0.00 C ATOM 464 C CYS A 31 -14.949 1.388 -4.146 1.00 0.00 C ATOM 465 O CYS A 31 -15.711 1.449 -5.076 1.00 0.00 O ATOM 466 CB CYS A 31 -13.613 3.599 -4.526 1.00 0.00 C ATOM 467 SG CYS A 31 -13.787 5.401 -4.361 1.00 0.00 S ATOM 0 H CYS A 31 -12.657 2.417 -2.490 1.00 0.00 H new ATOM 0 HA CYS A 31 -15.412 3.220 -3.284 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.563 3.343 -4.386 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -13.875 3.323 -5.547 1.00 0.00 H new ATOM 472 N ALA A 32 -14.539 0.232 -3.659 1.00 0.00 N ATOM 473 CA ALA A 32 -15.001 -1.081 -4.269 1.00 0.00 C ATOM 474 C ALA A 32 -16.497 -0.980 -4.678 1.00 0.00 C ATOM 475 O ALA A 32 -16.816 -1.131 -5.835 1.00 0.00 O ATOM 476 CB ALA A 32 -14.804 -2.218 -3.242 1.00 0.00 C ATOM 0 H ALA A 32 -13.905 0.135 -2.866 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.412 -1.295 -5.160 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -15.134 -3.162 -3.676 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -13.749 -2.290 -2.977 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.389 -2.006 -2.347 1.00 0.00 H new ATOM 482 N THR A 33 -17.342 -0.732 -3.705 1.00 0.00 N ATOM 483 CA THR A 33 -18.839 -0.580 -3.882 1.00 0.00 C ATOM 484 C THR A 33 -19.260 0.225 -5.134 1.00 0.00 C ATOM 485 O THR A 33 -20.329 0.034 -5.679 1.00 0.00 O ATOM 486 CB THR A 33 -19.372 0.108 -2.617 1.00 0.00 C ATOM 487 OG1 THR A 33 -18.975 -0.746 -1.555 1.00 0.00 O ATOM 488 CG2 THR A 33 -20.881 0.071 -2.484 1.00 0.00 C ATOM 0 H THR A 33 -17.042 -0.621 -2.736 1.00 0.00 H new ATOM 0 HA THR A 33 -19.261 -1.574 -4.032 1.00 0.00 H new ATOM 0 HB THR A 33 -19.018 1.139 -2.629 1.00 0.00 H new ATOM 0 HG1 THR A 33 -19.280 -0.371 -0.702 1.00 0.00 H new ATOM 0 HG21 THR A 33 -21.178 0.577 -1.565 1.00 0.00 H new ATOM 0 HG22 THR A 33 -21.334 0.574 -3.338 1.00 0.00 H new ATOM 0 HG23 THR A 33 -21.218 -0.965 -2.452 1.00 0.00 H new ATOM 496 N TRP A 34 -18.380 1.104 -5.529 1.00 0.00 N ATOM 497 CA TRP A 34 -18.560 2.009 -6.708 1.00 0.00 C ATOM 498 C TRP A 34 -17.630 1.711 -7.926 1.00 0.00 C ATOM 499 O TRP A 34 -18.080 1.832 -9.047 1.00 0.00 O ATOM 500 CB TRP A 34 -18.381 3.423 -6.091 1.00 0.00 C ATOM 501 CG TRP A 34 -19.576 3.692 -5.152 1.00 0.00 C ATOM 502 CD1 TRP A 34 -20.892 3.556 -5.493 1.00 0.00 C ATOM 503 CD2 TRP A 34 -19.501 4.092 -3.863 1.00 0.00 C ATOM 504 NE1 TRP A 34 -21.517 3.883 -4.379 1.00 0.00 N ATOM 505 CE2 TRP A 34 -20.766 4.221 -3.343 1.00 0.00 C ATOM 506 CE3 TRP A 34 -18.401 4.366 -3.079 1.00 0.00 C ATOM 507 CZ2 TRP A 34 -20.939 4.621 -2.037 1.00 0.00 C ATOM 508 CZ3 TRP A 34 -18.565 4.773 -1.757 1.00 0.00 C ATOM 509 CH2 TRP A 34 -19.846 4.898 -1.241 1.00 0.00 C ATOM 0 H TRP A 34 -17.488 1.240 -5.053 1.00 0.00 H new ATOM 0 HA TRP A 34 -19.533 1.874 -7.181 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -17.443 3.481 -5.539 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -18.337 4.178 -6.876 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -21.315 3.255 -6.440 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -22.535 3.876 -4.318 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -17.408 4.265 -3.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -21.936 4.719 -1.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -17.704 4.989 -1.141 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -19.988 5.212 -0.217 1.00 0.00 H new ATOM 520 N ASP A 35 -16.395 1.341 -7.700 1.00 0.00 N ATOM 521 CA ASP A 35 -15.393 1.017 -8.774 1.00 0.00 C ATOM 522 C ASP A 35 -15.445 -0.443 -9.235 1.00 0.00 C ATOM 523 O ASP A 35 -15.208 -0.774 -10.380 1.00 0.00 O ATOM 524 CB ASP A 35 -13.985 1.282 -8.246 1.00 0.00 C ATOM 525 CG ASP A 35 -13.586 2.735 -8.246 1.00 0.00 C ATOM 526 OD1 ASP A 35 -14.370 3.581 -8.629 1.00 0.00 O ATOM 527 OD2 ASP A 35 -12.453 2.870 -7.833 1.00 0.00 O ATOM 0 H ASP A 35 -16.016 1.244 -6.758 1.00 0.00 H new ATOM 0 HA ASP A 35 -15.642 1.650 -9.626 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.913 0.897 -7.229 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.272 0.721 -8.850 1.00 0.00 H new ATOM 532 N ALA A 36 -15.746 -1.303 -8.300 1.00 0.00 N ATOM 533 CA ALA A 36 -15.837 -2.771 -8.575 1.00 0.00 C ATOM 534 C ALA A 36 -16.746 -3.091 -9.759 1.00 0.00 C ATOM 535 O ALA A 36 -16.545 -4.076 -10.442 1.00 0.00 O ATOM 536 CB ALA A 36 -16.362 -3.456 -7.319 1.00 0.00 C ATOM 0 H ALA A 36 -15.938 -1.045 -7.332 1.00 0.00 H new ATOM 0 HA ALA A 36 -14.844 -3.135 -8.838 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -16.437 -4.529 -7.494 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.678 -3.271 -6.491 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -17.347 -3.059 -7.072 1.00 0.00 H new ATOM 542 N SER A 37 -17.699 -2.219 -9.941 1.00 0.00 N ATOM 543 CA SER A 37 -18.721 -2.321 -11.036 1.00 0.00 C ATOM 544 C SER A 37 -18.128 -1.949 -12.389 1.00 0.00 C ATOM 545 O SER A 37 -18.703 -2.230 -13.423 1.00 0.00 O ATOM 546 CB SER A 37 -19.864 -1.371 -10.723 1.00 0.00 C ATOM 547 OG SER A 37 -19.199 -0.112 -10.803 1.00 0.00 O ATOM 0 H SER A 37 -17.820 -1.398 -9.348 1.00 0.00 H new ATOM 0 HA SER A 37 -19.070 -3.352 -11.088 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.678 -1.454 -11.443 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.291 -1.550 -9.736 1.00 0.00 H new ATOM 0 HG SER A 37 -18.988 0.205 -9.900 1.00 0.00 H new ATOM 553 N LYS A 38 -16.996 -1.307 -12.370 1.00 0.00 N ATOM 554 CA LYS A 38 -16.342 -0.905 -13.642 1.00 0.00 C ATOM 555 C LYS A 38 -15.720 -2.187 -14.238 1.00 0.00 C ATOM 556 O LYS A 38 -15.226 -3.044 -13.520 1.00 0.00 O ATOM 557 CB LYS A 38 -15.246 0.140 -13.325 1.00 0.00 C ATOM 558 CG LYS A 38 -15.809 1.365 -12.527 1.00 0.00 C ATOM 559 CD LYS A 38 -16.129 2.586 -13.432 1.00 0.00 C ATOM 560 CE LYS A 38 -17.239 2.291 -14.430 1.00 0.00 C ATOM 561 NZ LYS A 38 -17.555 3.568 -15.155 1.00 0.00 N ATOM 0 H LYS A 38 -16.493 -1.042 -11.523 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.043 -0.460 -14.348 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -14.451 -0.333 -12.748 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.799 0.489 -14.256 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -16.714 1.063 -12.001 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.084 1.662 -11.769 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.420 3.431 -12.808 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.229 2.882 -13.970 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -16.925 1.520 -15.133 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.124 1.914 -13.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.313 3.396 -15.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.866 4.287 -14.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -16.705 3.906 -15.650 1.00 0.00 H new ATOM 575 N PRO A 39 -15.743 -2.314 -15.546 1.00 0.00 N ATOM 576 CA PRO A 39 -15.146 -3.514 -16.190 1.00 0.00 C ATOM 577 C PRO A 39 -13.698 -3.792 -15.701 1.00 0.00 C ATOM 578 O PRO A 39 -12.915 -2.905 -15.393 1.00 0.00 O ATOM 579 CB PRO A 39 -15.291 -3.202 -17.705 1.00 0.00 C ATOM 580 CG PRO A 39 -15.380 -1.653 -17.742 1.00 0.00 C ATOM 581 CD PRO A 39 -16.298 -1.362 -16.550 1.00 0.00 C ATOM 0 HA PRO A 39 -15.640 -4.451 -15.933 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -14.438 -3.570 -18.275 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -16.182 -3.667 -18.128 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.402 -1.185 -17.629 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.801 -1.290 -18.680 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.233 -0.325 -16.219 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.346 -1.560 -16.775 1.00 0.00 H new ATOM 589 N LEU A 40 -13.411 -5.074 -15.649 1.00 0.00 N ATOM 590 CA LEU A 40 -12.092 -5.615 -15.213 1.00 0.00 C ATOM 591 C LEU A 40 -10.905 -4.752 -15.629 1.00 0.00 C ATOM 592 O LEU A 40 -10.019 -4.520 -14.836 1.00 0.00 O ATOM 593 CB LEU A 40 -11.994 -7.059 -15.795 1.00 0.00 C ATOM 594 CG LEU A 40 -11.967 -8.119 -14.654 1.00 0.00 C ATOM 595 CD1 LEU A 40 -12.245 -9.502 -15.260 1.00 0.00 C ATOM 596 CD2 LEU A 40 -10.547 -8.199 -14.052 1.00 0.00 C ATOM 0 H LEU A 40 -14.080 -5.800 -15.907 1.00 0.00 H new ATOM 0 HA LEU A 40 -12.041 -5.618 -14.124 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.842 -7.248 -16.452 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.094 -7.150 -16.402 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.704 -7.841 -13.900 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -12.229 -10.255 -14.472 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.224 -9.499 -15.739 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.480 -9.736 -16.000 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.531 -8.941 -13.254 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.838 -8.486 -14.829 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.268 -7.226 -13.648 1.00 0.00 H new ATOM 608 N SER A 41 -10.965 -4.310 -16.859 1.00 0.00 N ATOM 609 CA SER A 41 -9.901 -3.464 -17.459 1.00 0.00 C ATOM 610 C SER A 41 -9.367 -2.361 -16.563 1.00 0.00 C ATOM 611 O SER A 41 -8.385 -2.542 -15.890 1.00 0.00 O ATOM 612 CB SER A 41 -10.455 -2.858 -18.754 1.00 0.00 C ATOM 613 OG SER A 41 -9.452 -1.908 -19.097 1.00 0.00 O ATOM 0 H SER A 41 -11.739 -4.511 -17.491 1.00 0.00 H new ATOM 0 HA SER A 41 -9.045 -4.116 -17.635 1.00 0.00 H new ATOM 0 HB2 SER A 41 -10.586 -3.610 -19.532 1.00 0.00 H new ATOM 0 HB3 SER A 41 -11.426 -2.387 -18.600 1.00 0.00 H new ATOM 0 HG SER A 41 -9.704 -1.451 -19.927 1.00 0.00 H new ATOM 619 N TRP A 42 -10.018 -1.236 -16.566 1.00 0.00 N ATOM 620 CA TRP A 42 -9.534 -0.095 -15.705 1.00 0.00 C ATOM 621 C TRP A 42 -9.102 -0.579 -14.298 1.00 0.00 C ATOM 622 O TRP A 42 -8.028 -0.242 -13.816 1.00 0.00 O ATOM 623 CB TRP A 42 -10.669 0.927 -15.628 1.00 0.00 C ATOM 624 CG TRP A 42 -10.258 2.192 -14.855 1.00 0.00 C ATOM 625 CD1 TRP A 42 -9.637 3.286 -15.382 1.00 0.00 C ATOM 626 CD2 TRP A 42 -10.493 2.406 -13.542 1.00 0.00 C ATOM 627 NE1 TRP A 42 -9.553 4.083 -14.338 1.00 0.00 N ATOM 628 CE2 TRP A 42 -10.036 3.649 -13.185 1.00 0.00 C ATOM 629 CE3 TRP A 42 -11.081 1.579 -12.597 1.00 0.00 C ATOM 630 CZ2 TRP A 42 -10.168 4.075 -11.880 1.00 0.00 C ATOM 631 CZ3 TRP A 42 -11.215 2.004 -11.289 1.00 0.00 C ATOM 632 CH2 TRP A 42 -10.758 3.255 -10.930 1.00 0.00 C ATOM 0 H TRP A 42 -10.856 -1.045 -17.116 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.646 0.358 -16.145 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -10.977 1.203 -16.637 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -11.533 0.472 -15.144 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -9.301 3.455 -16.394 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -9.128 5.007 -14.415 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -11.435 0.600 -12.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -9.810 5.053 -11.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -11.674 1.361 -10.553 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -10.860 3.595 -9.910 1.00 0.00 H new ATOM 643 N ARG A 43 -9.992 -1.368 -13.734 1.00 0.00 N ATOM 644 CA ARG A 43 -9.822 -1.973 -12.373 1.00 0.00 C ATOM 645 C ARG A 43 -8.417 -2.611 -12.160 1.00 0.00 C ATOM 646 O ARG A 43 -7.713 -2.232 -11.244 1.00 0.00 O ATOM 647 CB ARG A 43 -10.988 -2.994 -12.235 1.00 0.00 C ATOM 648 CG ARG A 43 -11.272 -3.306 -10.749 1.00 0.00 C ATOM 649 CD ARG A 43 -12.575 -4.139 -10.656 1.00 0.00 C ATOM 650 NE ARG A 43 -12.313 -5.500 -11.250 1.00 0.00 N ATOM 651 CZ ARG A 43 -12.781 -6.603 -10.761 1.00 0.00 C ATOM 652 NH1 ARG A 43 -13.893 -6.592 -10.123 1.00 0.00 N ATOM 653 NH2 ARG A 43 -12.120 -7.681 -10.938 1.00 0.00 N ATOM 0 H ARG A 43 -10.869 -1.627 -14.186 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.867 -1.215 -11.591 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.886 -2.593 -12.705 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.736 -3.914 -12.763 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.439 -3.858 -10.313 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -11.374 -2.381 -10.181 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.892 -4.233 -9.617 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -13.383 -3.641 -11.192 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.732 -5.554 -12.087 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -14.404 -5.717 -10.003 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -14.267 -7.458 -9.735 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.242 -7.661 -11.456 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.470 -8.562 -10.561 1.00 0.00 H new ATOM 667 N SER A 44 -8.035 -3.548 -12.996 1.00 0.00 N ATOM 668 CA SER A 44 -6.684 -4.244 -12.891 1.00 0.00 C ATOM 669 C SER A 44 -5.599 -3.513 -13.730 1.00 0.00 C ATOM 670 O SER A 44 -4.443 -3.502 -13.384 1.00 0.00 O ATOM 671 CB SER A 44 -6.906 -5.681 -13.391 1.00 0.00 C ATOM 672 OG SER A 44 -7.537 -5.539 -14.658 1.00 0.00 O ATOM 0 H SER A 44 -8.610 -3.877 -13.772 1.00 0.00 H new ATOM 0 HA SER A 44 -6.318 -4.236 -11.864 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.962 -6.218 -13.479 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.531 -6.247 -12.700 1.00 0.00 H new ATOM 0 HG SER A 44 -8.509 -5.499 -14.537 1.00 0.00 H new ATOM 678 N LYS A 45 -6.006 -2.935 -14.834 1.00 0.00 N ATOM 679 CA LYS A 45 -5.136 -2.166 -15.798 1.00 0.00 C ATOM 680 C LYS A 45 -4.083 -1.355 -15.043 1.00 0.00 C ATOM 681 O LYS A 45 -2.892 -1.551 -15.229 1.00 0.00 O ATOM 682 CB LYS A 45 -6.030 -1.222 -16.645 1.00 0.00 C ATOM 683 CG LYS A 45 -5.204 -0.483 -17.723 1.00 0.00 C ATOM 684 CD LYS A 45 -6.150 0.471 -18.530 1.00 0.00 C ATOM 685 CE LYS A 45 -6.513 1.755 -17.783 1.00 0.00 C ATOM 686 NZ LYS A 45 -5.259 2.526 -17.602 1.00 0.00 N ATOM 0 H LYS A 45 -6.982 -2.967 -15.130 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.619 -2.868 -16.452 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.822 -1.799 -17.123 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.515 -0.495 -15.993 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.403 0.089 -17.256 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -4.733 -1.201 -18.394 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.669 0.733 -19.472 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.066 -0.065 -18.778 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.243 2.335 -18.347 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.966 1.524 -16.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.476 3.543 -17.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.810 2.253 -16.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.610 2.324 -18.389 1.00 0.00 H new ATOM 700 N TYR A 46 -4.558 -0.460 -14.214 1.00 0.00 N ATOM 701 CA TYR A 46 -3.598 0.379 -13.417 1.00 0.00 C ATOM 702 C TYR A 46 -3.561 -0.284 -12.038 1.00 0.00 C ATOM 703 O TYR A 46 -4.593 -0.738 -11.575 1.00 0.00 O ATOM 704 CB TYR A 46 -4.129 1.854 -13.317 1.00 0.00 C ATOM 705 CG TYR A 46 -3.185 2.927 -13.916 1.00 0.00 C ATOM 706 CD1 TYR A 46 -1.810 2.864 -13.744 1.00 0.00 C ATOM 707 CD2 TYR A 46 -3.704 3.993 -14.627 1.00 0.00 C ATOM 708 CE1 TYR A 46 -0.982 3.846 -14.265 1.00 0.00 C ATOM 709 CE2 TYR A 46 -2.873 4.972 -15.149 1.00 0.00 C ATOM 710 CZ TYR A 46 -1.513 4.908 -14.969 1.00 0.00 C ATOM 711 OH TYR A 46 -0.698 5.889 -15.493 1.00 0.00 O ATOM 0 H TYR A 46 -5.548 -0.272 -14.053 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.608 0.433 -13.869 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -5.092 1.914 -13.824 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.306 2.091 -12.268 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.379 2.039 -13.197 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.771 4.064 -14.778 1.00 0.00 H new ATOM 0 HE1 TYR A 46 0.086 3.780 -14.119 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.300 5.795 -15.704 1.00 0.00 H new ATOM 0 HH TYR A 46 -0.619 6.626 -14.852 1.00 0.00 H new ATOM 721 N GLY A 47 -2.378 -0.298 -11.468 1.00 0.00 N ATOM 722 CA GLY A 47 -2.121 -0.903 -10.105 1.00 0.00 C ATOM 723 C GLY A 47 -3.398 -1.251 -9.352 1.00 0.00 C ATOM 724 O GLY A 47 -3.719 -2.416 -9.305 1.00 0.00 O ATOM 0 H GLY A 47 -1.545 0.098 -11.903 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.519 -1.804 -10.222 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.535 -0.204 -9.509 1.00 0.00 H new ATOM 728 N TRP A 48 -4.037 -0.214 -8.839 1.00 0.00 N ATOM 729 CA TRP A 48 -5.335 -0.265 -8.039 1.00 0.00 C ATOM 730 C TRP A 48 -4.922 -0.460 -6.607 1.00 0.00 C ATOM 731 O TRP A 48 -5.577 -1.136 -5.853 1.00 0.00 O ATOM 732 CB TRP A 48 -6.231 -1.455 -8.590 1.00 0.00 C ATOM 733 CG TRP A 48 -6.070 -2.752 -7.786 1.00 0.00 C ATOM 734 CD1 TRP A 48 -4.951 -3.168 -7.145 1.00 0.00 C ATOM 735 CD2 TRP A 48 -7.059 -3.603 -7.544 1.00 0.00 C ATOM 736 NE1 TRP A 48 -5.341 -4.263 -6.528 1.00 0.00 N ATOM 737 CE2 TRP A 48 -6.603 -4.599 -6.719 1.00 0.00 C ATOM 738 CE3 TRP A 48 -8.362 -3.574 -8.006 1.00 0.00 C ATOM 739 CZ2 TRP A 48 -7.460 -5.572 -6.344 1.00 0.00 C ATOM 740 CZ3 TRP A 48 -9.219 -4.568 -7.623 1.00 0.00 C ATOM 741 CH2 TRP A 48 -8.756 -5.557 -6.791 1.00 0.00 C ATOM 0 H TRP A 48 -3.688 0.738 -8.949 1.00 0.00 H new ATOM 0 HA TRP A 48 -5.936 0.640 -8.126 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -7.278 -1.152 -8.573 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.971 -1.645 -9.631 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -3.973 -2.710 -7.141 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.712 -4.813 -5.943 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -8.697 -2.780 -8.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.124 -6.364 -5.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -10.242 -4.575 -7.969 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -9.429 -6.343 -6.481 1.00 0.00 H new ATOM 752 N THR A 49 -3.884 0.188 -6.199 1.00 0.00 N ATOM 753 CA THR A 49 -3.520 -0.104 -4.794 1.00 0.00 C ATOM 754 C THR A 49 -4.232 0.540 -3.666 1.00 0.00 C ATOM 755 O THR A 49 -4.663 1.685 -3.696 1.00 0.00 O ATOM 756 CB THR A 49 -2.063 0.220 -4.510 1.00 0.00 C ATOM 757 OG1 THR A 49 -1.922 1.609 -4.711 1.00 0.00 O ATOM 758 CG2 THR A 49 -1.183 -0.329 -5.572 1.00 0.00 C ATOM 0 H THR A 49 -3.311 0.852 -6.719 1.00 0.00 H new ATOM 0 HA THR A 49 -3.809 -1.155 -4.793 1.00 0.00 H new ATOM 0 HB THR A 49 -1.811 -0.161 -3.520 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.689 1.945 -5.220 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.145 -0.084 -5.347 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.299 -1.412 -5.617 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.458 0.106 -6.533 1.00 0.00 H new ATOM 766 N ALA A 50 -4.379 -0.308 -2.679 1.00 0.00 N ATOM 767 CA ALA A 50 -5.051 0.308 -1.466 1.00 0.00 C ATOM 768 C ALA A 50 -3.726 0.832 -0.835 1.00 0.00 C ATOM 769 O ALA A 50 -2.777 0.079 -0.912 1.00 0.00 O ATOM 770 CB ALA A 50 -5.689 -0.719 -0.490 1.00 0.00 C ATOM 0 H ALA A 50 -4.104 -1.289 -2.639 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.874 0.989 -1.684 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.146 -0.191 0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.451 -1.295 -1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.918 -1.393 -0.116 1.00 0.00 H new ATOM 776 N PHE A 51 -3.604 2.000 -0.257 1.00 0.00 N ATOM 777 CA PHE A 51 -2.260 2.405 0.317 1.00 0.00 C ATOM 778 C PHE A 51 -2.213 2.576 1.870 1.00 0.00 C ATOM 779 O PHE A 51 -3.088 3.200 2.445 1.00 0.00 O ATOM 780 CB PHE A 51 -1.840 3.749 -0.362 1.00 0.00 C ATOM 781 CG PHE A 51 -0.501 4.222 0.237 1.00 0.00 C ATOM 782 CD1 PHE A 51 0.679 3.674 -0.211 1.00 0.00 C ATOM 783 CD2 PHE A 51 -0.450 5.181 1.234 1.00 0.00 C ATOM 784 CE1 PHE A 51 1.892 4.067 0.317 1.00 0.00 C ATOM 785 CE2 PHE A 51 0.761 5.578 1.770 1.00 0.00 C ATOM 786 CZ PHE A 51 1.937 5.018 1.308 1.00 0.00 C ATOM 0 H PHE A 51 -4.352 2.686 -0.153 1.00 0.00 H new ATOM 0 HA PHE A 51 -1.574 1.585 0.106 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.742 3.611 -1.439 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.609 4.505 -0.206 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.656 2.924 -0.988 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.366 5.624 1.597 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.807 3.626 -0.049 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.788 6.325 2.549 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.885 5.326 1.723 1.00 0.00 H new ATOM 796 N CYS A 52 -1.200 2.034 2.497 1.00 0.00 N ATOM 797 CA CYS A 52 -1.053 2.151 4.000 1.00 0.00 C ATOM 798 C CYS A 52 0.377 2.432 4.549 1.00 0.00 C ATOM 799 O CYS A 52 0.855 1.755 5.439 1.00 0.00 O ATOM 800 CB CYS A 52 -1.655 0.844 4.629 1.00 0.00 C ATOM 801 SG CYS A 52 -1.597 -0.730 3.741 1.00 0.00 S ATOM 0 H CYS A 52 -0.456 1.509 2.037 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.593 3.051 4.295 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.154 0.690 5.585 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -2.703 1.049 4.848 1.00 0.00 H new ATOM 806 N GLY A 53 1.021 3.433 4.009 1.00 0.00 N ATOM 807 CA GLY A 53 2.412 3.801 4.468 1.00 0.00 C ATOM 808 C GLY A 53 2.409 5.143 5.232 1.00 0.00 C ATOM 809 O GLY A 53 1.455 5.891 5.140 1.00 0.00 O ATOM 0 H GLY A 53 0.648 4.021 3.264 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.806 3.014 5.111 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.076 3.871 3.606 1.00 0.00 H new ATOM 813 N PRO A 54 3.472 5.419 5.961 1.00 0.00 N ATOM 814 CA PRO A 54 3.544 6.609 6.878 1.00 0.00 C ATOM 815 C PRO A 54 3.443 7.986 6.163 1.00 0.00 C ATOM 816 O PRO A 54 2.470 8.706 6.289 1.00 0.00 O ATOM 817 CB PRO A 54 4.877 6.373 7.624 1.00 0.00 C ATOM 818 CG PRO A 54 5.735 5.645 6.550 1.00 0.00 C ATOM 819 CD PRO A 54 4.739 4.621 5.981 1.00 0.00 C ATOM 0 HA PRO A 54 2.687 6.676 7.549 1.00 0.00 H new ATOM 0 HB2 PRO A 54 5.335 7.309 7.944 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.741 5.763 8.517 1.00 0.00 H new ATOM 0 HG2 PRO A 54 6.097 6.331 5.784 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.610 5.163 6.986 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.025 4.279 4.986 1.00 0.00 H new ATOM 0 HD3 PRO A 54 4.656 3.735 6.611 1.00 0.00 H new ATOM 827 N ALA A 55 4.438 8.338 5.396 1.00 0.00 N ATOM 828 CA ALA A 55 4.416 9.651 4.675 1.00 0.00 C ATOM 829 C ALA A 55 3.583 9.542 3.369 1.00 0.00 C ATOM 830 O ALA A 55 4.084 9.657 2.266 1.00 0.00 O ATOM 831 CB ALA A 55 5.911 10.025 4.432 1.00 0.00 C ATOM 0 H ALA A 55 5.271 7.772 5.234 1.00 0.00 H new ATOM 0 HA ALA A 55 3.929 10.439 5.250 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.967 10.978 3.907 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.426 10.108 5.389 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.387 9.251 3.830 1.00 0.00 H new ATOM 837 N GLY A 56 2.313 9.293 3.571 1.00 0.00 N ATOM 838 CA GLY A 56 1.325 9.152 2.439 1.00 0.00 C ATOM 839 C GLY A 56 -0.109 9.591 2.816 1.00 0.00 C ATOM 840 O GLY A 56 -1.043 8.827 2.614 1.00 0.00 O ATOM 0 H GLY A 56 1.902 9.177 4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.668 9.746 1.592 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.304 8.112 2.112 1.00 0.00 H new ATOM 844 N PRO A 57 -0.255 10.791 3.350 1.00 0.00 N ATOM 845 CA PRO A 57 -1.574 11.296 3.826 1.00 0.00 C ATOM 846 C PRO A 57 -2.586 11.361 2.643 1.00 0.00 C ATOM 847 O PRO A 57 -2.636 12.247 1.809 1.00 0.00 O ATOM 848 CB PRO A 57 -1.198 12.654 4.477 1.00 0.00 C ATOM 849 CG PRO A 57 -0.003 13.094 3.617 1.00 0.00 C ATOM 850 CD PRO A 57 0.825 11.803 3.535 1.00 0.00 C ATOM 0 HA PRO A 57 -2.096 10.665 4.546 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.019 13.370 4.433 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.927 12.543 5.527 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.315 13.442 2.632 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.555 13.908 4.080 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.528 11.815 2.702 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.406 11.627 4.440 1.00 0.00 H new ATOM 858 N ARG A 58 -3.382 10.331 2.654 1.00 0.00 N ATOM 859 CA ARG A 58 -4.488 10.041 1.671 1.00 0.00 C ATOM 860 C ARG A 58 -5.727 9.391 2.364 1.00 0.00 C ATOM 861 O ARG A 58 -5.637 9.052 3.531 1.00 0.00 O ATOM 862 CB ARG A 58 -3.779 9.148 0.596 1.00 0.00 C ATOM 863 CG ARG A 58 -4.342 7.712 0.374 1.00 0.00 C ATOM 864 CD ARG A 58 -4.367 6.795 1.626 1.00 0.00 C ATOM 865 NE ARG A 58 -3.244 7.122 2.579 1.00 0.00 N ATOM 866 CZ ARG A 58 -3.305 6.742 3.801 1.00 0.00 C ATOM 867 NH1 ARG A 58 -2.937 5.563 4.088 1.00 0.00 N ATOM 868 NH2 ARG A 58 -3.740 7.559 4.672 1.00 0.00 N ATOM 0 H ARG A 58 -3.307 9.609 3.370 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.926 10.928 1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.815 9.675 -0.357 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.728 9.059 0.871 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.358 7.796 -0.012 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.747 7.224 -0.398 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.323 6.905 2.138 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.289 5.753 1.316 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.434 7.647 2.249 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.602 4.940 3.353 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -2.976 5.237 5.054 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.032 8.495 4.392 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.797 7.278 5.651 1.00 0.00 H new ATOM 882 N GLY A 59 -6.812 9.224 1.633 1.00 0.00 N ATOM 883 CA GLY A 59 -8.084 8.600 2.185 1.00 0.00 C ATOM 884 C GLY A 59 -9.422 9.053 1.536 1.00 0.00 C ATOM 885 O GLY A 59 -10.120 8.230 0.980 1.00 0.00 O ATOM 0 H GLY A 59 -6.877 9.499 0.653 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.005 7.518 2.082 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.133 8.815 3.252 1.00 0.00 H new ATOM 889 N GLN A 60 -9.746 10.319 1.625 1.00 0.00 N ATOM 890 CA GLN A 60 -11.036 10.811 1.011 1.00 0.00 C ATOM 891 C GLN A 60 -10.892 11.002 -0.527 1.00 0.00 C ATOM 892 O GLN A 60 -11.155 10.117 -1.321 1.00 0.00 O ATOM 893 CB GLN A 60 -11.427 12.182 1.670 1.00 0.00 C ATOM 894 CG GLN A 60 -11.652 12.107 3.210 1.00 0.00 C ATOM 895 CD GLN A 60 -11.839 13.538 3.751 1.00 0.00 C ATOM 896 OE1 GLN A 60 -11.235 14.480 3.289 1.00 0.00 O ATOM 897 NE2 GLN A 60 -12.652 13.777 4.726 1.00 0.00 N ATOM 0 H GLN A 60 -9.185 11.033 2.090 1.00 0.00 H new ATOM 0 HA GLN A 60 -11.811 10.066 1.191 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -10.642 12.909 1.463 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -12.337 12.553 1.198 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -12.529 11.500 3.435 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -10.801 11.628 3.694 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -13.182 13.014 5.147 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.764 14.729 5.075 1.00 0.00 H new ATOM 906 N ALA A 61 -10.445 12.165 -0.912 1.00 0.00 N ATOM 907 CA ALA A 61 -10.262 12.501 -2.355 1.00 0.00 C ATOM 908 C ALA A 61 -8.900 11.978 -2.871 1.00 0.00 C ATOM 909 O ALA A 61 -8.038 12.680 -3.372 1.00 0.00 O ATOM 910 CB ALA A 61 -10.426 14.043 -2.426 1.00 0.00 C ATOM 0 H ALA A 61 -10.192 12.917 -0.271 1.00 0.00 H new ATOM 0 HA ALA A 61 -10.989 12.021 -3.010 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -10.306 14.375 -3.457 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.418 14.320 -2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.670 14.518 -1.801 1.00 0.00 H new ATOM 916 N ALA A 62 -8.803 10.691 -2.697 1.00 0.00 N ATOM 917 CA ALA A 62 -7.617 9.876 -3.094 1.00 0.00 C ATOM 918 C ALA A 62 -8.080 8.980 -4.268 1.00 0.00 C ATOM 919 O ALA A 62 -7.422 8.951 -5.285 1.00 0.00 O ATOM 920 CB ALA A 62 -7.188 9.084 -1.845 1.00 0.00 C ATOM 0 H ALA A 62 -9.545 10.137 -2.269 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.756 10.454 -3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.320 8.469 -2.084 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.932 9.778 -1.044 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -8.008 8.443 -1.521 1.00 0.00 H new ATOM 926 N CYS A 63 -9.178 8.287 -4.083 1.00 0.00 N ATOM 927 CA CYS A 63 -9.778 7.374 -5.131 1.00 0.00 C ATOM 928 C CYS A 63 -9.699 8.060 -6.547 1.00 0.00 C ATOM 929 O CYS A 63 -10.599 8.775 -6.940 1.00 0.00 O ATOM 930 CB CYS A 63 -11.239 7.100 -4.617 1.00 0.00 C ATOM 931 SG CYS A 63 -12.490 6.279 -5.645 1.00 0.00 S ATOM 0 H CYS A 63 -9.711 8.313 -3.214 1.00 0.00 H new ATOM 0 HA CYS A 63 -9.251 6.429 -5.262 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -11.145 6.508 -3.706 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -11.655 8.065 -4.328 1.00 0.00 H new ATOM 936 N GLY A 64 -8.624 7.840 -7.273 1.00 0.00 N ATOM 937 CA GLY A 64 -8.454 8.468 -8.651 1.00 0.00 C ATOM 938 C GLY A 64 -7.011 8.952 -8.891 1.00 0.00 C ATOM 939 O GLY A 64 -6.572 9.154 -10.007 1.00 0.00 O ATOM 0 H GLY A 64 -7.846 7.250 -6.978 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.724 7.741 -9.417 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.140 9.309 -8.753 1.00 0.00 H new ATOM 943 N LYS A 65 -6.329 9.120 -7.801 1.00 0.00 N ATOM 944 CA LYS A 65 -4.914 9.574 -7.829 1.00 0.00 C ATOM 945 C LYS A 65 -4.082 8.276 -7.983 1.00 0.00 C ATOM 946 O LYS A 65 -4.585 7.167 -8.030 1.00 0.00 O ATOM 947 CB LYS A 65 -4.530 10.245 -6.484 1.00 0.00 C ATOM 948 CG LYS A 65 -5.515 11.340 -6.032 1.00 0.00 C ATOM 949 CD LYS A 65 -5.261 12.684 -6.773 1.00 0.00 C ATOM 950 CE LYS A 65 -6.233 13.739 -6.225 1.00 0.00 C ATOM 951 NZ LYS A 65 -5.954 13.877 -4.755 1.00 0.00 N ATOM 0 H LYS A 65 -6.701 8.958 -6.865 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.744 10.296 -8.628 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.472 9.479 -5.710 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.535 10.680 -6.577 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -6.537 11.009 -6.218 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.420 11.494 -4.957 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.230 13.007 -6.627 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.406 12.557 -7.846 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.094 14.692 -6.734 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.266 13.435 -6.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.992 14.881 -4.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.668 13.348 -4.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.009 13.498 -4.544 1.00 0.00 H new ATOM 965 N CYS A 66 -2.801 8.482 -8.062 1.00 0.00 N ATOM 966 CA CYS A 66 -1.776 7.420 -8.201 1.00 0.00 C ATOM 967 C CYS A 66 -0.525 7.736 -7.346 1.00 0.00 C ATOM 968 O CYS A 66 -0.297 8.819 -6.837 1.00 0.00 O ATOM 969 CB CYS A 66 -1.411 7.321 -9.659 1.00 0.00 C ATOM 970 SG CYS A 66 -2.330 6.103 -10.622 1.00 0.00 S ATOM 0 H CYS A 66 -2.398 9.419 -8.033 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.175 6.471 -7.844 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -1.554 8.300 -10.116 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -0.349 7.087 -9.732 1.00 0.00 H new ATOM 975 N LEU A 67 0.284 6.740 -7.214 1.00 0.00 N ATOM 976 CA LEU A 67 1.544 6.852 -6.423 1.00 0.00 C ATOM 977 C LEU A 67 2.724 6.547 -7.383 1.00 0.00 C ATOM 978 O LEU A 67 2.694 5.528 -8.041 1.00 0.00 O ATOM 979 CB LEU A 67 1.377 5.834 -5.278 1.00 0.00 C ATOM 980 CG LEU A 67 2.110 6.291 -4.019 1.00 0.00 C ATOM 981 CD1 LEU A 67 1.945 5.201 -2.955 1.00 0.00 C ATOM 982 CD2 LEU A 67 3.584 6.533 -4.307 1.00 0.00 C ATOM 0 H LEU A 67 0.128 5.822 -7.630 1.00 0.00 H new ATOM 0 HA LEU A 67 1.747 7.834 -5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.318 5.702 -5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.760 4.863 -5.593 1.00 0.00 H new ATOM 0 HG LEU A 67 1.689 7.232 -3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.460 5.502 -2.043 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.886 5.057 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.372 4.267 -3.321 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.084 6.858 -3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.041 5.610 -4.663 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.684 7.305 -5.070 1.00 0.00 H new ATOM 994 N ARG A 68 3.724 7.377 -7.472 1.00 0.00 N ATOM 995 CA ARG A 68 4.850 7.062 -8.411 1.00 0.00 C ATOM 996 C ARG A 68 5.994 6.393 -7.662 1.00 0.00 C ATOM 997 O ARG A 68 6.375 6.930 -6.643 1.00 0.00 O ATOM 998 CB ARG A 68 5.318 8.373 -9.014 1.00 0.00 C ATOM 999 CG ARG A 68 6.392 8.109 -10.082 1.00 0.00 C ATOM 1000 CD ARG A 68 6.782 9.460 -10.653 1.00 0.00 C ATOM 1001 NE ARG A 68 7.309 9.146 -12.015 1.00 0.00 N ATOM 1002 CZ ARG A 68 6.687 9.536 -13.063 1.00 0.00 C ATOM 1003 NH1 ARG A 68 6.397 10.764 -13.207 1.00 0.00 N ATOM 1004 NH2 ARG A 68 6.395 8.651 -13.916 1.00 0.00 N ATOM 0 H ARG A 68 3.816 8.247 -6.948 1.00 0.00 H new ATOM 0 HA ARG A 68 4.516 6.376 -9.190 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.474 8.900 -9.459 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.721 9.018 -8.233 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.257 7.609 -9.646 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.007 7.455 -10.864 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.926 10.133 -10.703 1.00 0.00 H new ATOM 0 HD3 ARG A 68 7.537 9.949 -10.037 1.00 0.00 H new ATOM 0 HE ARG A 68 8.174 8.615 -12.111 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.660 11.438 -12.488 1.00 0.00 H new ATOM 0 HH12 ARG A 68 5.901 11.076 -14.042 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.655 7.679 -13.751 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.899 8.909 -14.769 1.00 0.00 H new ATOM 1018 N VAL A 69 6.522 5.296 -8.147 1.00 0.00 N ATOM 1019 CA VAL A 69 7.653 4.601 -7.439 1.00 0.00 C ATOM 1020 C VAL A 69 8.902 4.426 -8.342 1.00 0.00 C ATOM 1021 O VAL A 69 8.789 3.854 -9.411 1.00 0.00 O ATOM 1022 CB VAL A 69 7.193 3.189 -6.972 1.00 0.00 C ATOM 1023 CG1 VAL A 69 8.302 2.542 -6.117 1.00 0.00 C ATOM 1024 CG2 VAL A 69 5.878 3.233 -6.164 1.00 0.00 C ATOM 0 H VAL A 69 6.218 4.845 -9.010 1.00 0.00 H new ATOM 0 HA VAL A 69 7.926 5.229 -6.591 1.00 0.00 H new ATOM 0 HB VAL A 69 7.006 2.595 -7.867 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.979 1.553 -5.790 1.00 0.00 H new ATOM 0 HG12 VAL A 69 9.212 2.449 -6.711 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.500 3.166 -5.245 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.602 2.222 -5.863 1.00 0.00 H new ATOM 0 HG22 VAL A 69 6.017 3.851 -5.277 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.086 3.657 -6.781 1.00 0.00 H new ATOM 1034 N THR A 70 10.027 4.928 -7.888 1.00 0.00 N ATOM 1035 CA THR A 70 11.335 4.808 -8.672 1.00 0.00 C ATOM 1036 C THR A 70 12.418 4.071 -7.861 1.00 0.00 C ATOM 1037 O THR A 70 12.599 4.363 -6.685 1.00 0.00 O ATOM 1038 CB THR A 70 11.923 6.181 -9.031 1.00 0.00 C ATOM 1039 OG1 THR A 70 11.074 6.675 -10.051 1.00 0.00 O ATOM 1040 CG2 THR A 70 13.289 6.068 -9.760 1.00 0.00 C ATOM 0 H THR A 70 10.112 5.424 -7.001 1.00 0.00 H new ATOM 0 HA THR A 70 11.076 4.254 -9.575 1.00 0.00 H new ATOM 0 HB THR A 70 12.021 6.770 -8.119 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.386 7.559 -10.336 1.00 0.00 H new ATOM 0 HG21 THR A 70 13.661 7.066 -9.992 1.00 0.00 H new ATOM 0 HG22 THR A 70 14.003 5.554 -9.117 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.163 5.504 -10.684 1.00 0.00 H new ATOM 1048 N ASN A 71 13.092 3.166 -8.537 1.00 0.00 N ATOM 1049 CA ASN A 71 14.189 2.315 -7.962 1.00 0.00 C ATOM 1050 C ASN A 71 15.652 2.703 -8.397 1.00 0.00 C ATOM 1051 O ASN A 71 16.208 2.021 -9.241 1.00 0.00 O ATOM 1052 CB ASN A 71 13.785 0.893 -8.404 1.00 0.00 C ATOM 1053 CG ASN A 71 14.475 -0.182 -7.601 1.00 0.00 C ATOM 1054 OD1 ASN A 71 14.192 -0.387 -6.444 1.00 0.00 O ATOM 1055 ND2 ASN A 71 15.386 -0.915 -8.131 1.00 0.00 N ATOM 0 H ASN A 71 12.913 2.974 -9.523 1.00 0.00 H new ATOM 0 HA ASN A 71 14.261 2.440 -6.882 1.00 0.00 H new ATOM 0 HB2 ASN A 71 12.706 0.779 -8.305 1.00 0.00 H new ATOM 0 HB3 ASN A 71 14.024 0.763 -9.459 1.00 0.00 H new ATOM 0 HD21 ASN A 71 15.843 -1.640 -7.578 1.00 0.00 H new ATOM 0 HD22 ASN A 71 15.653 -0.772 -9.105 1.00 0.00 H new ATOM 1062 N PRO A 72 16.256 3.745 -7.834 1.00 0.00 N ATOM 1063 CA PRO A 72 17.529 4.350 -8.373 1.00 0.00 C ATOM 1064 C PRO A 72 18.528 3.259 -8.765 1.00 0.00 C ATOM 1065 O PRO A 72 19.166 3.308 -9.797 1.00 0.00 O ATOM 1066 CB PRO A 72 18.005 5.269 -7.239 1.00 0.00 C ATOM 1067 CG PRO A 72 16.657 5.771 -6.675 1.00 0.00 C ATOM 1068 CD PRO A 72 15.819 4.467 -6.602 1.00 0.00 C ATOM 0 HA PRO A 72 17.398 4.916 -9.295 1.00 0.00 H new ATOM 0 HB2 PRO A 72 18.589 4.732 -6.492 1.00 0.00 H new ATOM 0 HB3 PRO A 72 18.628 6.085 -7.605 1.00 0.00 H new ATOM 0 HG2 PRO A 72 16.774 6.234 -5.695 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.196 6.514 -7.326 1.00 0.00 H new ATOM 0 HD2 PRO A 72 16.031 3.896 -5.698 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.748 4.670 -6.607 1.00 0.00 H new ATOM 1076 N ALA A 73 18.601 2.302 -7.879 1.00 0.00 N ATOM 1077 CA ALA A 73 19.497 1.128 -8.048 1.00 0.00 C ATOM 1078 C ALA A 73 19.347 0.467 -9.451 1.00 0.00 C ATOM 1079 O ALA A 73 20.350 0.153 -10.061 1.00 0.00 O ATOM 1080 CB ALA A 73 19.146 0.178 -6.900 1.00 0.00 C ATOM 0 H ALA A 73 18.056 2.289 -7.017 1.00 0.00 H new ATOM 0 HA ALA A 73 20.547 1.417 -8.006 1.00 0.00 H new ATOM 0 HB1 ALA A 73 19.770 -0.713 -6.962 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.321 0.678 -5.947 1.00 0.00 H new ATOM 0 HB3 ALA A 73 18.097 -0.108 -6.972 1.00 0.00 H new ATOM 1086 N THR A 74 18.137 0.276 -9.930 1.00 0.00 N ATOM 1087 CA THR A 74 17.987 -0.363 -11.293 1.00 0.00 C ATOM 1088 C THR A 74 17.674 0.706 -12.331 1.00 0.00 C ATOM 1089 O THR A 74 17.902 0.499 -13.505 1.00 0.00 O ATOM 1090 CB THR A 74 16.832 -1.443 -11.334 1.00 0.00 C ATOM 1091 OG1 THR A 74 15.599 -0.905 -10.869 1.00 0.00 O ATOM 1092 CG2 THR A 74 17.125 -2.549 -10.332 1.00 0.00 C ATOM 0 H THR A 74 17.268 0.524 -9.458 1.00 0.00 H new ATOM 0 HA THR A 74 18.931 -0.862 -11.511 1.00 0.00 H new ATOM 0 HB THR A 74 16.774 -1.784 -12.368 1.00 0.00 H new ATOM 0 HG1 THR A 74 15.002 -1.636 -10.604 1.00 0.00 H new ATOM 0 HG21 THR A 74 16.326 -3.290 -10.364 1.00 0.00 H new ATOM 0 HG22 THR A 74 18.073 -3.026 -10.583 1.00 0.00 H new ATOM 0 HG23 THR A 74 17.186 -2.125 -9.330 1.00 0.00 H new ATOM 1100 N GLY A 75 17.150 1.814 -11.878 1.00 0.00 N ATOM 1101 CA GLY A 75 16.801 2.947 -12.801 1.00 0.00 C ATOM 1102 C GLY A 75 15.380 2.812 -13.312 1.00 0.00 C ATOM 1103 O GLY A 75 14.890 3.650 -14.037 1.00 0.00 O ATOM 0 H GLY A 75 16.944 1.989 -10.894 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.914 3.896 -12.277 1.00 0.00 H new ATOM 0 HA3 GLY A 75 17.494 2.962 -13.642 1.00 0.00 H new ATOM 1107 N ALA A 76 14.741 1.756 -12.895 1.00 0.00 N ATOM 1108 CA ALA A 76 13.348 1.495 -13.325 1.00 0.00 C ATOM 1109 C ALA A 76 12.328 2.150 -12.376 1.00 0.00 C ATOM 1110 O ALA A 76 12.531 2.304 -11.183 1.00 0.00 O ATOM 1111 CB ALA A 76 13.206 -0.039 -13.378 1.00 0.00 C ATOM 0 H ALA A 76 15.134 1.056 -12.266 1.00 0.00 H new ATOM 0 HA ALA A 76 13.140 1.935 -14.300 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.195 -0.300 -13.691 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.923 -0.446 -14.091 1.00 0.00 H new ATOM 0 HB3 ALA A 76 13.400 -0.457 -12.390 1.00 0.00 H new ATOM 1117 N GLN A 77 11.243 2.528 -12.981 1.00 0.00 N ATOM 1118 CA GLN A 77 10.152 3.179 -12.220 1.00 0.00 C ATOM 1119 C GLN A 77 8.817 2.670 -12.745 1.00 0.00 C ATOM 1120 O GLN A 77 8.678 2.261 -13.886 1.00 0.00 O ATOM 1121 CB GLN A 77 10.326 4.721 -12.385 1.00 0.00 C ATOM 1122 CG GLN A 77 10.057 5.230 -13.847 1.00 0.00 C ATOM 1123 CD GLN A 77 8.575 5.540 -14.094 1.00 0.00 C ATOM 1124 OE1 GLN A 77 8.039 6.548 -13.677 1.00 0.00 O ATOM 1125 NE2 GLN A 77 7.843 4.716 -14.764 1.00 0.00 N ATOM 0 H GLN A 77 11.065 2.412 -13.979 1.00 0.00 H new ATOM 0 HA GLN A 77 10.184 2.943 -11.156 1.00 0.00 H new ATOM 0 HB2 GLN A 77 9.647 5.230 -11.701 1.00 0.00 H new ATOM 0 HB3 GLN A 77 11.339 4.997 -12.093 1.00 0.00 H new ATOM 0 HG2 GLN A 77 10.649 6.127 -14.031 1.00 0.00 H new ATOM 0 HG3 GLN A 77 10.391 4.475 -14.559 1.00 0.00 H new ATOM 0 HE21 GLN A 77 8.250 3.857 -15.134 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.857 4.924 -14.924 1.00 0.00 H new ATOM 1134 N ILE A 78 7.877 2.716 -11.857 1.00 0.00 N ATOM 1135 CA ILE A 78 6.490 2.278 -12.142 1.00 0.00 C ATOM 1136 C ILE A 78 5.504 3.240 -11.430 1.00 0.00 C ATOM 1137 O ILE A 78 5.895 3.991 -10.557 1.00 0.00 O ATOM 1138 CB ILE A 78 6.423 0.843 -11.629 1.00 0.00 C ATOM 1139 CG1 ILE A 78 5.479 -0.012 -12.498 1.00 0.00 C ATOM 1140 CG2 ILE A 78 5.966 0.816 -10.162 1.00 0.00 C ATOM 1141 CD1 ILE A 78 6.230 -0.430 -13.798 1.00 0.00 C ATOM 0 H ILE A 78 8.018 3.053 -10.905 1.00 0.00 H new ATOM 0 HA ILE A 78 6.217 2.305 -13.197 1.00 0.00 H new ATOM 0 HB ILE A 78 7.424 0.417 -11.692 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.157 -0.896 -11.948 1.00 0.00 H new ATOM 0 HG13 ILE A 78 4.581 0.553 -12.747 1.00 0.00 H new ATOM 0 HG21 ILE A 78 5.924 -0.216 -9.813 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.672 1.378 -9.550 1.00 0.00 H new ATOM 0 HG23 ILE A 78 4.977 1.267 -10.081 1.00 0.00 H new ATOM 0 HD11 ILE A 78 5.571 -1.035 -14.420 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.530 0.462 -14.348 1.00 0.00 H new ATOM 0 HD13 ILE A 78 7.115 -1.009 -13.536 1.00 0.00 H new ATOM 1153 N THR A 79 4.253 3.200 -11.799 1.00 0.00 N ATOM 1154 CA THR A 79 3.191 4.086 -11.172 1.00 0.00 C ATOM 1155 C THR A 79 2.095 3.170 -10.616 1.00 0.00 C ATOM 1156 O THR A 79 1.650 2.325 -11.361 1.00 0.00 O ATOM 1157 CB THR A 79 2.571 5.015 -12.233 1.00 0.00 C ATOM 1158 OG1 THR A 79 3.579 5.981 -12.490 1.00 0.00 O ATOM 1159 CG2 THR A 79 1.406 5.872 -11.710 1.00 0.00 C ATOM 0 H THR A 79 3.899 2.579 -12.527 1.00 0.00 H new ATOM 0 HA THR A 79 3.635 4.699 -10.388 1.00 0.00 H new ATOM 0 HB THR A 79 2.225 4.396 -13.060 1.00 0.00 H new ATOM 0 HG1 THR A 79 3.259 6.616 -13.164 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.024 6.498 -12.516 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.610 5.222 -11.348 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.757 6.505 -10.895 1.00 0.00 H new ATOM 1167 N ALA A 80 1.671 3.325 -9.392 1.00 0.00 N ATOM 1168 CA ALA A 80 0.586 2.431 -8.815 1.00 0.00 C ATOM 1169 C ALA A 80 -0.724 3.252 -8.667 1.00 0.00 C ATOM 1170 O ALA A 80 -0.624 4.450 -8.488 1.00 0.00 O ATOM 1171 CB ALA A 80 1.122 1.912 -7.461 1.00 0.00 C ATOM 0 H ALA A 80 2.023 4.034 -8.749 1.00 0.00 H new ATOM 0 HA ALA A 80 0.350 1.583 -9.457 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.378 1.261 -7.001 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.043 1.352 -7.625 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.323 2.756 -6.802 1.00 0.00 H new ATOM 1177 N ARG A 81 -1.894 2.643 -8.704 1.00 0.00 N ATOM 1178 CA ARG A 81 -3.157 3.454 -8.581 1.00 0.00 C ATOM 1179 C ARG A 81 -3.573 3.675 -7.115 1.00 0.00 C ATOM 1180 O ARG A 81 -3.679 2.717 -6.381 1.00 0.00 O ATOM 1181 CB ARG A 81 -4.256 2.678 -9.382 1.00 0.00 C ATOM 1182 CG ARG A 81 -5.271 3.659 -10.070 1.00 0.00 C ATOM 1183 CD ARG A 81 -6.660 3.588 -9.457 1.00 0.00 C ATOM 1184 NE ARG A 81 -7.466 2.425 -9.984 1.00 0.00 N ATOM 1185 CZ ARG A 81 -7.257 1.666 -10.989 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -6.399 0.734 -10.852 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -7.961 1.917 -12.020 1.00 0.00 N ATOM 0 H ARG A 81 -2.028 1.638 -8.812 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.007 4.455 -8.984 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.782 2.054 -10.140 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -4.794 2.010 -8.709 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.895 4.679 -9.991 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -5.334 3.424 -11.132 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.572 3.503 -8.374 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -7.192 4.517 -9.662 1.00 0.00 H new ATOM 0 HE ARG A 81 -8.311 2.212 -9.453 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.910 0.617 -9.965 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.201 0.104 -11.630 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.635 2.682 -12.003 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.850 1.353 -12.863 1.00 0.00 H new ATOM 1201 N ILE A 82 -3.818 4.885 -6.701 1.00 0.00 N ATOM 1202 CA ILE A 82 -4.222 5.124 -5.278 1.00 0.00 C ATOM 1203 C ILE A 82 -5.720 5.005 -5.409 1.00 0.00 C ATOM 1204 O ILE A 82 -6.392 5.908 -5.882 1.00 0.00 O ATOM 1205 CB ILE A 82 -3.825 6.547 -4.809 1.00 0.00 C ATOM 1206 CG1 ILE A 82 -2.279 6.630 -4.791 1.00 0.00 C ATOM 1207 CG2 ILE A 82 -4.339 6.729 -3.352 1.00 0.00 C ATOM 1208 CD1 ILE A 82 -1.853 8.047 -4.425 1.00 0.00 C ATOM 0 H ILE A 82 -3.758 5.722 -7.281 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.761 4.453 -4.553 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.245 7.308 -5.467 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.874 5.919 -4.071 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.878 6.358 -5.767 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.074 7.724 -2.994 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.423 6.613 -3.331 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.881 5.978 -2.708 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.765 8.108 -4.412 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.247 8.747 -5.162 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.243 8.301 -3.439 1.00 0.00 H new ATOM 1220 N VAL A 83 -6.201 3.864 -4.995 1.00 0.00 N ATOM 1221 CA VAL A 83 -7.673 3.650 -5.090 1.00 0.00 C ATOM 1222 C VAL A 83 -8.268 3.619 -3.689 1.00 0.00 C ATOM 1223 O VAL A 83 -9.148 4.390 -3.361 1.00 0.00 O ATOM 1224 CB VAL A 83 -7.916 2.298 -5.898 1.00 0.00 C ATOM 1225 CG1 VAL A 83 -7.409 1.027 -5.190 1.00 0.00 C ATOM 1226 CG2 VAL A 83 -9.408 2.086 -6.239 1.00 0.00 C ATOM 0 H VAL A 83 -5.658 3.093 -4.607 1.00 0.00 H new ATOM 0 HA VAL A 83 -8.170 4.461 -5.623 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.327 2.436 -6.805 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.617 0.156 -5.812 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -6.335 1.107 -5.024 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.917 0.917 -4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -9.526 1.153 -6.790 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.989 2.040 -5.318 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.763 2.915 -6.851 1.00 0.00 H new ATOM 1236 N ASP A 84 -7.748 2.738 -2.891 1.00 0.00 N ATOM 1237 CA ASP A 84 -8.227 2.558 -1.484 1.00 0.00 C ATOM 1238 C ASP A 84 -7.153 2.849 -0.420 1.00 0.00 C ATOM 1239 O ASP A 84 -6.028 3.210 -0.715 1.00 0.00 O ATOM 1240 CB ASP A 84 -8.756 1.117 -1.489 1.00 0.00 C ATOM 1241 CG ASP A 84 -10.012 1.097 -2.375 1.00 0.00 C ATOM 1242 OD1 ASP A 84 -10.920 1.851 -2.086 1.00 0.00 O ATOM 1243 OD2 ASP A 84 -10.028 0.317 -3.307 1.00 0.00 O ATOM 0 H ASP A 84 -6.987 2.113 -3.157 1.00 0.00 H new ATOM 0 HA ASP A 84 -8.995 3.276 -1.197 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.002 0.432 -1.875 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.994 0.791 -0.477 1.00 0.00 H new ATOM 1248 N GLN A 85 -7.554 2.703 0.819 1.00 0.00 N ATOM 1249 CA GLN A 85 -6.658 2.927 1.996 1.00 0.00 C ATOM 1250 C GLN A 85 -6.722 1.713 2.944 1.00 0.00 C ATOM 1251 O GLN A 85 -7.782 1.370 3.426 1.00 0.00 O ATOM 1252 CB GLN A 85 -7.115 4.159 2.752 1.00 0.00 C ATOM 1253 CG GLN A 85 -6.188 4.351 4.008 1.00 0.00 C ATOM 1254 CD GLN A 85 -6.707 5.474 4.882 1.00 0.00 C ATOM 1255 OE1 GLN A 85 -6.332 6.697 4.712 1.00 0.00 O flip ATOM 1256 NE2 GLN A 85 -7.500 5.263 5.767 1.00 0.00 N flip ATOM 0 H GLN A 85 -8.503 2.427 1.071 1.00 0.00 H new ATOM 0 HA GLN A 85 -5.636 3.062 1.641 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.066 5.037 2.108 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.154 4.048 3.062 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.146 3.425 4.582 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -5.171 4.573 3.686 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.828 4.313 5.942 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.842 6.035 6.340 1.00 0.00 H new ATOM 1265 N CYS A 86 -5.596 1.108 3.206 1.00 0.00 N ATOM 1266 CA CYS A 86 -5.571 -0.085 4.124 1.00 0.00 C ATOM 1267 C CYS A 86 -5.090 0.332 5.537 1.00 0.00 C ATOM 1268 O CYS A 86 -4.672 1.462 5.733 1.00 0.00 O ATOM 1269 CB CYS A 86 -4.638 -1.148 3.451 1.00 0.00 C ATOM 1270 SG CYS A 86 -3.195 -0.573 2.514 1.00 0.00 S ATOM 0 H CYS A 86 -4.689 1.382 2.828 1.00 0.00 H new ATOM 0 HA CYS A 86 -6.564 -0.512 4.266 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.279 -1.815 4.234 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -5.251 -1.747 2.778 1.00 0.00 H new ATOM 1275 N ALA A 87 -5.168 -0.554 6.494 1.00 0.00 N ATOM 1276 CA ALA A 87 -4.711 -0.185 7.874 1.00 0.00 C ATOM 1277 C ALA A 87 -3.772 -1.219 8.538 1.00 0.00 C ATOM 1278 O ALA A 87 -3.800 -1.414 9.738 1.00 0.00 O ATOM 1279 CB ALA A 87 -6.005 0.055 8.691 1.00 0.00 C ATOM 0 H ALA A 87 -5.522 -1.505 6.387 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.086 0.707 7.831 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.744 0.329 9.713 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.579 0.861 8.234 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -6.603 -0.856 8.701 1.00 0.00 H new ATOM 1285 N ASN A 88 -2.954 -1.854 7.738 1.00 0.00 N ATOM 1286 CA ASN A 88 -2.010 -2.866 8.322 1.00 0.00 C ATOM 1287 C ASN A 88 -0.518 -2.543 8.202 1.00 0.00 C ATOM 1288 O ASN A 88 0.277 -3.217 8.820 1.00 0.00 O ATOM 1289 CB ASN A 88 -2.322 -4.235 7.675 1.00 0.00 C ATOM 1290 CG ASN A 88 -2.345 -4.282 6.164 1.00 0.00 C ATOM 1291 OD1 ASN A 88 -2.812 -5.264 5.644 1.00 0.00 O ATOM 1292 ND2 ASN A 88 -1.904 -3.349 5.389 1.00 0.00 N ATOM 0 H ASN A 88 -2.895 -1.724 6.728 1.00 0.00 H new ATOM 0 HA ASN A 88 -2.185 -2.865 9.398 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -1.582 -4.954 8.027 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -3.292 -4.571 8.041 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -1.958 -3.459 4.376 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -1.501 -2.502 5.789 1.00 0.00 H new ATOM 1299 N GLY A 89 -0.154 -1.548 7.437 1.00 0.00 N ATOM 1300 CA GLY A 89 1.314 -1.229 7.328 1.00 0.00 C ATOM 1301 C GLY A 89 2.034 -2.104 6.327 1.00 0.00 C ATOM 1302 O GLY A 89 2.834 -2.933 6.706 1.00 0.00 O ATOM 0 H GLY A 89 -0.782 -0.954 6.895 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.433 -0.184 7.041 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.780 -1.346 8.307 1.00 0.00 H new ATOM 1306 N GLY A 90 1.764 -1.924 5.068 1.00 0.00 N ATOM 1307 CA GLY A 90 2.481 -2.796 4.073 1.00 0.00 C ATOM 1308 C GLY A 90 3.184 -1.963 3.060 1.00 0.00 C ATOM 1309 O GLY A 90 4.400 -1.911 3.016 1.00 0.00 O ATOM 0 H GLY A 90 1.108 -1.243 4.685 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.199 -3.433 4.590 1.00 0.00 H new ATOM 0 HA3 GLY A 90 1.768 -3.455 3.578 1.00 0.00 H new ATOM 1313 N LEU A 91 2.301 -1.362 2.323 1.00 0.00 N ATOM 1314 CA LEU A 91 2.610 -0.436 1.203 1.00 0.00 C ATOM 1315 C LEU A 91 1.364 -0.188 0.405 1.00 0.00 C ATOM 1316 O LEU A 91 0.726 0.844 0.451 1.00 0.00 O ATOM 1317 CB LEU A 91 3.781 -1.027 0.288 1.00 0.00 C ATOM 1318 CG LEU A 91 4.851 0.078 0.074 1.00 0.00 C ATOM 1319 CD1 LEU A 91 6.013 -0.499 -0.736 1.00 0.00 C ATOM 1320 CD2 LEU A 91 4.278 1.254 -0.741 1.00 0.00 C ATOM 0 H LEU A 91 1.299 -1.487 2.466 1.00 0.00 H new ATOM 0 HA LEU A 91 2.962 0.514 1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.229 -1.899 0.764 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.381 -1.357 -0.671 1.00 0.00 H new ATOM 0 HG LEU A 91 5.172 0.426 1.056 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.768 0.272 -0.890 1.00 0.00 H new ATOM 0 HD12 LEU A 91 6.454 -1.336 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.646 -0.845 -1.702 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.049 2.013 -0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.948 0.895 -1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.431 1.687 -0.209 1.00 0.00 H new ATOM 1332 N ASP A 92 1.105 -1.230 -0.260 1.00 0.00 N ATOM 1333 CA ASP A 92 -0.094 -1.325 -1.199 1.00 0.00 C ATOM 1334 C ASP A 92 -0.962 -2.609 -1.339 1.00 0.00 C ATOM 1335 O ASP A 92 -0.689 -3.652 -0.799 1.00 0.00 O ATOM 1336 CB ASP A 92 0.459 -0.893 -2.603 1.00 0.00 C ATOM 1337 CG ASP A 92 1.691 -1.656 -3.016 1.00 0.00 C ATOM 1338 OD1 ASP A 92 1.454 -2.768 -3.452 1.00 0.00 O ATOM 1339 OD2 ASP A 92 2.765 -1.094 -2.875 1.00 0.00 O ATOM 0 H ASP A 92 1.670 -2.078 -0.221 1.00 0.00 H new ATOM 0 HA ASP A 92 -0.844 -0.695 -0.722 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.319 -1.038 -3.353 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.689 0.172 -2.584 1.00 0.00 H new ATOM 1344 N LEU A 93 -2.060 -2.539 -2.061 1.00 0.00 N ATOM 1345 CA LEU A 93 -2.934 -3.747 -2.265 1.00 0.00 C ATOM 1346 C LEU A 93 -2.861 -3.906 -3.780 1.00 0.00 C ATOM 1347 O LEU A 93 -3.818 -3.674 -4.464 1.00 0.00 O ATOM 1348 CB LEU A 93 -4.424 -3.449 -1.711 1.00 0.00 C ATOM 1349 CG LEU A 93 -5.655 -3.745 -2.703 1.00 0.00 C ATOM 1350 CD1 LEU A 93 -6.935 -4.032 -1.905 1.00 0.00 C ATOM 1351 CD2 LEU A 93 -5.993 -2.477 -3.556 1.00 0.00 C ATOM 0 H LEU A 93 -2.391 -1.691 -2.521 1.00 0.00 H new ATOM 0 HA LEU A 93 -2.634 -4.652 -1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.571 -4.039 -0.806 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.471 -2.400 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.357 -4.591 -3.323 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.756 -4.230 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.779 -4.902 -1.267 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.180 -3.168 -1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.828 -2.698 -4.221 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.264 -1.655 -2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.123 -2.194 -4.148 1.00 0.00 H new ATOM 1363 N ASP A 94 -1.697 -4.184 -4.293 1.00 0.00 N ATOM 1364 CA ASP A 94 -1.540 -4.377 -5.770 1.00 0.00 C ATOM 1365 C ASP A 94 -1.748 -5.885 -6.146 1.00 0.00 C ATOM 1366 O ASP A 94 -2.647 -6.576 -5.727 1.00 0.00 O ATOM 1367 CB ASP A 94 -0.135 -3.747 -6.157 1.00 0.00 C ATOM 1368 CG ASP A 94 -0.371 -3.038 -7.514 1.00 0.00 C ATOM 1369 OD1 ASP A 94 -1.033 -3.658 -8.326 1.00 0.00 O ATOM 1370 OD2 ASP A 94 0.096 -1.936 -7.737 1.00 0.00 O ATOM 0 H ASP A 94 -0.838 -4.288 -3.753 1.00 0.00 H new ATOM 0 HA ASP A 94 -2.300 -3.865 -6.360 1.00 0.00 H new ATOM 0 HB2 ASP A 94 0.204 -3.042 -5.398 1.00 0.00 H new ATOM 0 HB3 ASP A 94 0.632 -4.517 -6.242 1.00 0.00 H new ATOM 1375 N TRP A 95 -0.827 -6.295 -6.980 1.00 0.00 N ATOM 1376 CA TRP A 95 -0.564 -7.661 -7.604 1.00 0.00 C ATOM 1377 C TRP A 95 0.951 -7.601 -7.703 1.00 0.00 C ATOM 1378 O TRP A 95 1.608 -7.947 -8.666 1.00 0.00 O ATOM 1379 CB TRP A 95 -1.204 -7.875 -9.057 1.00 0.00 C ATOM 1380 CG TRP A 95 -0.460 -9.083 -9.725 1.00 0.00 C ATOM 1381 CD1 TRP A 95 -0.153 -10.229 -9.045 1.00 0.00 C ATOM 1382 CD2 TRP A 95 0.026 -9.198 -10.997 1.00 0.00 C ATOM 1383 NE1 TRP A 95 0.496 -10.965 -9.920 1.00 0.00 N ATOM 1384 CE2 TRP A 95 0.649 -10.428 -11.111 1.00 0.00 C ATOM 1385 CE3 TRP A 95 0.019 -8.376 -12.114 1.00 0.00 C ATOM 1386 CZ2 TRP A 95 1.248 -10.841 -12.273 1.00 0.00 C ATOM 1387 CZ3 TRP A 95 0.621 -8.787 -13.297 1.00 0.00 C ATOM 1388 CH2 TRP A 95 1.237 -10.021 -13.375 1.00 0.00 C ATOM 0 H TRP A 95 -0.130 -5.627 -7.309 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.998 -8.479 -7.030 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -2.272 -8.078 -8.980 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -1.093 -6.975 -9.661 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -0.390 -10.474 -8.020 1.00 0.00 H new ATOM 0 HE1 TRP A 95 0.857 -11.891 -9.691 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -0.458 -7.408 -12.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 1.727 -11.808 -12.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.607 -8.138 -14.160 1.00 0.00 H new ATOM 0 HH2 TRP A 95 1.706 -10.338 -14.295 1.00 0.00 H new ATOM 1399 N ASP A 96 1.496 -7.122 -6.621 1.00 0.00 N ATOM 1400 CA ASP A 96 2.956 -6.968 -6.482 1.00 0.00 C ATOM 1401 C ASP A 96 3.560 -6.186 -7.701 1.00 0.00 C ATOM 1402 O ASP A 96 4.757 -5.993 -7.756 1.00 0.00 O ATOM 1403 CB ASP A 96 3.472 -8.440 -6.309 1.00 0.00 C ATOM 1404 CG ASP A 96 2.703 -9.268 -5.276 1.00 0.00 C ATOM 1405 OD1 ASP A 96 1.652 -8.935 -4.757 1.00 0.00 O ATOM 1406 OD2 ASP A 96 3.267 -10.313 -5.034 1.00 0.00 O ATOM 0 H ASP A 96 0.964 -6.823 -5.804 1.00 0.00 H new ATOM 0 HA ASP A 96 3.265 -6.360 -5.632 1.00 0.00 H new ATOM 0 HB2 ASP A 96 3.418 -8.946 -7.273 1.00 0.00 H new ATOM 0 HB3 ASP A 96 4.523 -8.411 -6.022 1.00 0.00 H new ATOM 1411 N THR A 97 2.733 -5.757 -8.642 1.00 0.00 N ATOM 1412 CA THR A 97 3.033 -4.981 -9.917 1.00 0.00 C ATOM 1413 C THR A 97 4.089 -3.886 -9.742 1.00 0.00 C ATOM 1414 O THR A 97 4.687 -3.389 -10.679 1.00 0.00 O ATOM 1415 CB THR A 97 1.738 -4.298 -10.475 1.00 0.00 C ATOM 1416 OG1 THR A 97 1.547 -3.247 -9.570 1.00 0.00 O ATOM 1417 CG2 THR A 97 0.473 -5.189 -10.343 1.00 0.00 C ATOM 0 H THR A 97 1.733 -5.941 -8.561 1.00 0.00 H new ATOM 0 HA THR A 97 3.422 -5.727 -10.610 1.00 0.00 H new ATOM 0 HB THR A 97 1.859 -4.047 -11.529 1.00 0.00 H new ATOM 0 HG1 THR A 97 0.787 -2.700 -9.860 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.389 -4.659 -10.747 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.621 -6.116 -10.897 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.298 -5.419 -9.292 1.00 0.00 H new ATOM 1425 N VAL A 98 4.253 -3.563 -8.497 1.00 0.00 N ATOM 1426 CA VAL A 98 5.224 -2.531 -8.074 1.00 0.00 C ATOM 1427 C VAL A 98 6.583 -3.251 -7.945 1.00 0.00 C ATOM 1428 O VAL A 98 7.489 -3.010 -8.726 1.00 0.00 O ATOM 1429 CB VAL A 98 4.701 -1.943 -6.721 1.00 0.00 C ATOM 1430 CG1 VAL A 98 5.636 -0.828 -6.211 1.00 0.00 C ATOM 1431 CG2 VAL A 98 3.278 -1.345 -6.916 1.00 0.00 C ATOM 0 H VAL A 98 3.734 -3.988 -7.729 1.00 0.00 H new ATOM 0 HA VAL A 98 5.340 -1.701 -8.771 1.00 0.00 H new ATOM 0 HB VAL A 98 4.672 -2.753 -5.992 1.00 0.00 H new ATOM 0 HG11 VAL A 98 5.253 -0.434 -5.270 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.635 -1.234 -6.054 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.682 -0.026 -6.948 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.922 -0.938 -5.970 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.316 -0.551 -7.661 1.00 0.00 H new ATOM 0 HG23 VAL A 98 2.598 -2.127 -7.254 1.00 0.00 H new ATOM 1441 N PHE A 99 6.677 -4.142 -6.986 1.00 0.00 N ATOM 1442 CA PHE A 99 7.952 -4.905 -6.757 1.00 0.00 C ATOM 1443 C PHE A 99 8.254 -5.719 -8.027 1.00 0.00 C ATOM 1444 O PHE A 99 9.288 -5.524 -8.638 1.00 0.00 O ATOM 1445 CB PHE A 99 7.746 -5.821 -5.537 1.00 0.00 C ATOM 1446 CG PHE A 99 8.988 -5.876 -4.631 1.00 0.00 C ATOM 1447 CD1 PHE A 99 9.411 -4.743 -3.953 1.00 0.00 C ATOM 1448 CD2 PHE A 99 9.684 -7.055 -4.459 1.00 0.00 C ATOM 1449 CE1 PHE A 99 10.512 -4.791 -3.114 1.00 0.00 C ATOM 1450 CE2 PHE A 99 10.780 -7.095 -3.623 1.00 0.00 C ATOM 1451 CZ PHE A 99 11.194 -5.969 -2.953 1.00 0.00 C ATOM 0 H PHE A 99 5.919 -4.377 -6.345 1.00 0.00 H new ATOM 0 HA PHE A 99 8.795 -4.243 -6.558 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.893 -5.466 -4.959 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.503 -6.827 -5.878 1.00 0.00 H new ATOM 0 HD1 PHE A 99 8.876 -3.813 -4.080 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.370 -7.948 -4.980 1.00 0.00 H new ATOM 0 HE1 PHE A 99 10.832 -3.903 -2.589 1.00 0.00 H new ATOM 0 HE2 PHE A 99 11.319 -8.022 -3.493 1.00 0.00 H new ATOM 0 HZ PHE A 99 12.054 -6.012 -2.301 1.00 0.00 H new ATOM 1461 N THR A 100 7.318 -6.584 -8.345 1.00 0.00 N ATOM 1462 CA THR A 100 7.358 -7.505 -9.544 1.00 0.00 C ATOM 1463 C THR A 100 8.261 -7.030 -10.658 1.00 0.00 C ATOM 1464 O THR A 100 9.126 -7.707 -11.176 1.00 0.00 O ATOM 1465 CB THR A 100 6.016 -7.657 -10.311 1.00 0.00 C ATOM 1466 OG1 THR A 100 5.524 -6.335 -10.415 1.00 0.00 O ATOM 1467 CG2 THR A 100 4.829 -8.364 -9.749 1.00 0.00 C ATOM 0 H THR A 100 6.472 -6.698 -7.787 1.00 0.00 H new ATOM 0 HA THR A 100 7.684 -8.424 -9.056 1.00 0.00 H new ATOM 0 HB THR A 100 6.317 -8.258 -11.169 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.332 -5.986 -9.520 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.014 -8.338 -10.472 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.091 -9.400 -9.535 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.514 -7.872 -8.829 1.00 0.00 H new ATOM 1475 N LYS A 101 7.925 -5.804 -10.949 1.00 0.00 N ATOM 1476 CA LYS A 101 8.559 -5.029 -12.000 1.00 0.00 C ATOM 1477 C LYS A 101 9.876 -4.268 -11.665 1.00 0.00 C ATOM 1478 O LYS A 101 10.878 -4.442 -12.328 1.00 0.00 O ATOM 1479 CB LYS A 101 7.534 -3.991 -12.531 1.00 0.00 C ATOM 1480 CG LYS A 101 6.250 -4.614 -13.152 1.00 0.00 C ATOM 1481 CD LYS A 101 6.622 -5.375 -14.465 1.00 0.00 C ATOM 1482 CE LYS A 101 5.386 -5.748 -15.306 1.00 0.00 C ATOM 1483 NZ LYS A 101 4.732 -4.478 -15.771 1.00 0.00 N ATOM 0 H LYS A 101 7.189 -5.298 -10.457 1.00 0.00 H new ATOM 0 HA LYS A 101 8.864 -5.785 -12.724 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.244 -3.333 -11.712 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.021 -3.369 -13.282 1.00 0.00 H new ATOM 0 HG2 LYS A 101 5.785 -5.298 -12.442 1.00 0.00 H new ATOM 0 HG3 LYS A 101 5.521 -3.833 -13.366 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.290 -4.755 -15.063 1.00 0.00 H new ATOM 0 HD3 LYS A 101 7.171 -6.282 -14.211 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.678 -6.360 -16.160 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.688 -6.340 -14.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.138 -4.677 -16.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.142 -4.092 -15.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 5.463 -3.785 -16.027 1.00 0.00 H new ATOM 1497 N ILE A 102 9.840 -3.439 -10.648 1.00 0.00 N ATOM 1498 CA ILE A 102 11.084 -2.661 -10.277 1.00 0.00 C ATOM 1499 C ILE A 102 12.264 -3.505 -9.735 1.00 0.00 C ATOM 1500 O ILE A 102 13.404 -3.100 -9.910 1.00 0.00 O ATOM 1501 CB ILE A 102 10.700 -1.569 -9.218 1.00 0.00 C ATOM 1502 CG1 ILE A 102 10.260 -2.210 -7.873 1.00 0.00 C ATOM 1503 CG2 ILE A 102 9.567 -0.665 -9.771 1.00 0.00 C ATOM 1504 CD1 ILE A 102 11.449 -2.278 -6.854 1.00 0.00 C ATOM 0 H ILE A 102 9.023 -3.264 -10.063 1.00 0.00 H new ATOM 0 HA ILE A 102 11.448 -2.227 -11.208 1.00 0.00 H new ATOM 0 HB ILE A 102 11.586 -0.963 -9.027 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.443 -1.631 -7.443 1.00 0.00 H new ATOM 0 HG13 ILE A 102 9.877 -3.214 -8.055 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.308 0.089 -9.028 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.906 -0.174 -10.684 1.00 0.00 H new ATOM 0 HG23 ILE A 102 8.690 -1.274 -9.990 1.00 0.00 H new ATOM 0 HD11 ILE A 102 11.106 -2.732 -5.924 1.00 0.00 H new ATOM 0 HD12 ILE A 102 12.255 -2.879 -7.275 1.00 0.00 H new ATOM 0 HD13 ILE A 102 11.814 -1.271 -6.653 1.00 0.00 H new ATOM 1516 N ASP A 103 11.925 -4.613 -9.119 1.00 0.00 N ATOM 1517 CA ASP A 103 12.926 -5.555 -8.530 1.00 0.00 C ATOM 1518 C ASP A 103 13.418 -6.547 -9.629 1.00 0.00 C ATOM 1519 O ASP A 103 12.905 -7.632 -9.840 1.00 0.00 O ATOM 1520 CB ASP A 103 12.218 -6.298 -7.328 1.00 0.00 C ATOM 1521 CG ASP A 103 13.197 -7.219 -6.590 1.00 0.00 C ATOM 1522 OD1 ASP A 103 13.999 -7.815 -7.277 1.00 0.00 O ATOM 1523 OD2 ASP A 103 13.118 -7.308 -5.381 1.00 0.00 O ATOM 0 H ASP A 103 10.957 -4.912 -8.997 1.00 0.00 H new ATOM 0 HA ASP A 103 13.807 -5.032 -8.159 1.00 0.00 H new ATOM 0 HB2 ASP A 103 11.811 -5.564 -6.633 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.378 -6.882 -7.703 1.00 0.00 H new ATOM 1528 N THR A 104 14.441 -6.118 -10.315 1.00 0.00 N ATOM 1529 CA THR A 104 15.074 -6.923 -11.414 1.00 0.00 C ATOM 1530 C THR A 104 16.201 -7.834 -10.916 1.00 0.00 C ATOM 1531 O THR A 104 17.080 -8.208 -11.669 1.00 0.00 O ATOM 1532 CB THR A 104 15.664 -5.981 -12.455 1.00 0.00 C ATOM 1533 OG1 THR A 104 16.537 -5.162 -11.689 1.00 0.00 O ATOM 1534 CG2 THR A 104 14.679 -4.954 -12.948 1.00 0.00 C ATOM 0 H THR A 104 14.883 -5.212 -10.158 1.00 0.00 H new ATOM 0 HA THR A 104 14.287 -7.551 -11.832 1.00 0.00 H new ATOM 0 HB THR A 104 16.059 -6.572 -13.282 1.00 0.00 H new ATOM 0 HG1 THR A 104 16.975 -4.512 -12.277 1.00 0.00 H new ATOM 0 HG21 THR A 104 15.160 -4.314 -13.687 1.00 0.00 H new ATOM 0 HG22 THR A 104 13.826 -5.457 -13.404 1.00 0.00 H new ATOM 0 HG23 THR A 104 14.336 -4.347 -12.110 1.00 0.00 H new ATOM 1542 N ASN A 105 16.162 -8.173 -9.660 1.00 0.00 N ATOM 1543 CA ASN A 105 17.207 -9.069 -9.042 1.00 0.00 C ATOM 1544 C ASN A 105 16.559 -10.321 -8.429 1.00 0.00 C ATOM 1545 O ASN A 105 17.077 -11.415 -8.520 1.00 0.00 O ATOM 1546 CB ASN A 105 17.967 -8.267 -7.951 1.00 0.00 C ATOM 1547 CG ASN A 105 16.938 -7.457 -7.192 1.00 0.00 C ATOM 1548 OD1 ASN A 105 16.351 -7.932 -6.151 1.00 0.00 O flip ATOM 1549 ND2 ASN A 105 16.622 -6.347 -7.550 1.00 0.00 N flip ATOM 0 H ASN A 105 15.437 -7.865 -9.012 1.00 0.00 H new ATOM 0 HA ASN A 105 17.903 -9.399 -9.813 1.00 0.00 H new ATOM 0 HB2 ASN A 105 18.499 -8.941 -7.279 1.00 0.00 H new ATOM 0 HB3 ASN A 105 18.713 -7.614 -8.403 1.00 0.00 H new ATOM 0 HD21 ASN A 105 17.062 -5.931 -8.371 1.00 0.00 H new ATOM 0 HD22 ASN A 105 15.915 -5.826 -7.031 1.00 0.00 H new ATOM 1556 N GLY A 106 15.439 -10.101 -7.804 1.00 0.00 N ATOM 1557 CA GLY A 106 14.662 -11.188 -7.143 1.00 0.00 C ATOM 1558 C GLY A 106 14.859 -11.132 -5.636 1.00 0.00 C ATOM 1559 O GLY A 106 13.910 -11.045 -4.888 1.00 0.00 O ATOM 0 H GLY A 106 15.013 -9.178 -7.721 1.00 0.00 H new ATOM 0 HA2 GLY A 106 13.604 -11.086 -7.383 1.00 0.00 H new ATOM 0 HA3 GLY A 106 14.983 -12.158 -7.523 1.00 0.00 H new ATOM 1563 N ILE A 107 16.112 -11.181 -5.240 1.00 0.00 N ATOM 1564 CA ILE A 107 16.563 -11.151 -3.809 1.00 0.00 C ATOM 1565 C ILE A 107 15.545 -10.562 -2.847 1.00 0.00 C ATOM 1566 O ILE A 107 15.132 -11.246 -1.944 1.00 0.00 O ATOM 1567 CB ILE A 107 17.890 -10.358 -3.723 1.00 0.00 C ATOM 1568 CG1 ILE A 107 18.998 -10.933 -4.658 1.00 0.00 C ATOM 1569 CG2 ILE A 107 18.402 -10.343 -2.243 1.00 0.00 C ATOM 1570 CD1 ILE A 107 19.151 -12.462 -4.492 1.00 0.00 C ATOM 0 H ILE A 107 16.888 -11.245 -5.898 1.00 0.00 H new ATOM 0 HA ILE A 107 16.697 -12.187 -3.497 1.00 0.00 H new ATOM 0 HB ILE A 107 17.680 -9.343 -4.061 1.00 0.00 H new ATOM 0 HG12 ILE A 107 18.754 -10.702 -5.695 1.00 0.00 H new ATOM 0 HG13 ILE A 107 19.948 -10.446 -4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 107 19.336 -9.784 -2.187 1.00 0.00 H new ATOM 0 HG22 ILE A 107 17.656 -9.869 -1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 107 18.570 -11.366 -1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 107 19.932 -12.824 -5.160 1.00 0.00 H new ATOM 0 HD12 ILE A 107 19.420 -12.691 -3.461 1.00 0.00 H new ATOM 0 HD13 ILE A 107 18.208 -12.951 -4.738 1.00 0.00 H new ATOM 1582 N GLY A 108 15.183 -9.328 -3.073 1.00 0.00 N ATOM 1583 CA GLY A 108 14.175 -8.583 -2.218 1.00 0.00 C ATOM 1584 C GLY A 108 13.158 -9.526 -1.557 1.00 0.00 C ATOM 1585 O GLY A 108 12.964 -9.575 -0.354 1.00 0.00 O ATOM 0 H GLY A 108 15.553 -8.772 -3.844 1.00 0.00 H new ATOM 0 HA2 GLY A 108 14.702 -8.022 -1.446 1.00 0.00 H new ATOM 0 HA3 GLY A 108 13.646 -7.857 -2.835 1.00 0.00 H new ATOM 1589 N TYR A 109 12.561 -10.278 -2.440 1.00 0.00 N ATOM 1590 CA TYR A 109 11.513 -11.297 -2.085 1.00 0.00 C ATOM 1591 C TYR A 109 11.828 -12.170 -0.833 1.00 0.00 C ATOM 1592 O TYR A 109 10.938 -12.700 -0.205 1.00 0.00 O ATOM 1593 CB TYR A 109 11.329 -12.165 -3.350 1.00 0.00 C ATOM 1594 CG TYR A 109 10.151 -13.149 -3.205 1.00 0.00 C ATOM 1595 CD1 TYR A 109 8.843 -12.697 -3.253 1.00 0.00 C ATOM 1596 CD2 TYR A 109 10.378 -14.498 -3.030 1.00 0.00 C ATOM 1597 CE1 TYR A 109 7.786 -13.585 -3.133 1.00 0.00 C ATOM 1598 CE2 TYR A 109 9.322 -15.377 -2.909 1.00 0.00 C ATOM 1599 CZ TYR A 109 8.029 -14.930 -2.959 1.00 0.00 C ATOM 1600 OH TYR A 109 6.993 -15.830 -2.834 1.00 0.00 O ATOM 0 H TYR A 109 12.762 -10.230 -3.439 1.00 0.00 H new ATOM 0 HA TYR A 109 10.601 -10.777 -1.791 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.159 -11.520 -4.212 1.00 0.00 H new ATOM 0 HB3 TYR A 109 12.246 -12.722 -3.545 1.00 0.00 H new ATOM 0 HD1 TYR A 109 8.645 -11.644 -3.385 1.00 0.00 H new ATOM 0 HD2 TYR A 109 11.391 -14.869 -2.987 1.00 0.00 H new ATOM 0 HE1 TYR A 109 6.770 -13.222 -3.176 1.00 0.00 H new ATOM 0 HE2 TYR A 109 9.518 -16.430 -2.773 1.00 0.00 H new ATOM 0 HH TYR A 109 7.356 -16.733 -2.720 1.00 0.00 H new ATOM 1610 N GLN A 110 13.077 -12.325 -0.496 1.00 0.00 N ATOM 1611 CA GLN A 110 13.504 -13.144 0.687 1.00 0.00 C ATOM 1612 C GLN A 110 14.249 -12.293 1.735 1.00 0.00 C ATOM 1613 O GLN A 110 15.116 -12.789 2.426 1.00 0.00 O ATOM 1614 CB GLN A 110 14.416 -14.267 0.166 1.00 0.00 C ATOM 1615 CG GLN A 110 13.617 -15.312 -0.642 1.00 0.00 C ATOM 1616 CD GLN A 110 14.556 -16.393 -1.164 1.00 0.00 C ATOM 1617 OE1 GLN A 110 15.378 -16.936 -0.465 1.00 0.00 O ATOM 1618 NE2 GLN A 110 14.479 -16.758 -2.399 1.00 0.00 N ATOM 0 H GLN A 110 13.852 -11.904 -1.008 1.00 0.00 H new ATOM 0 HA GLN A 110 12.624 -13.552 1.184 1.00 0.00 H new ATOM 0 HB2 GLN A 110 15.199 -13.841 -0.461 1.00 0.00 H new ATOM 0 HB3 GLN A 110 14.911 -14.755 1.006 1.00 0.00 H new ATOM 0 HG2 GLN A 110 12.847 -15.759 -0.013 1.00 0.00 H new ATOM 0 HG3 GLN A 110 13.107 -14.828 -1.475 1.00 0.00 H new ATOM 0 HE21 GLN A 110 13.796 -16.321 -3.018 1.00 0.00 H new ATOM 0 HE22 GLN A 110 15.101 -17.484 -2.756 1.00 0.00 H new ATOM 1627 N GLN A 111 13.897 -11.039 1.828 1.00 0.00 N ATOM 1628 CA GLN A 111 14.562 -10.119 2.817 1.00 0.00 C ATOM 1629 C GLN A 111 13.643 -9.338 3.809 1.00 0.00 C ATOM 1630 O GLN A 111 13.339 -9.814 4.885 1.00 0.00 O ATOM 1631 CB GLN A 111 15.398 -9.188 1.933 1.00 0.00 C ATOM 1632 CG GLN A 111 16.186 -8.138 2.768 1.00 0.00 C ATOM 1633 CD GLN A 111 16.559 -6.962 1.875 1.00 0.00 C ATOM 1634 OE1 GLN A 111 16.102 -6.812 0.768 1.00 0.00 O ATOM 1635 NE2 GLN A 111 17.385 -6.072 2.298 1.00 0.00 N ATOM 0 H GLN A 111 13.172 -10.602 1.259 1.00 0.00 H new ATOM 0 HA GLN A 111 15.138 -10.710 3.529 1.00 0.00 H new ATOM 0 HB2 GLN A 111 16.098 -9.781 1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 111 14.744 -8.674 1.229 1.00 0.00 H new ATOM 0 HG2 GLN A 111 15.580 -7.795 3.607 1.00 0.00 H new ATOM 0 HG3 GLN A 111 17.085 -8.590 3.188 1.00 0.00 H new ATOM 0 HE21 GLN A 111 17.796 -6.158 3.228 1.00 0.00 H new ATOM 0 HE22 GLN A 111 17.629 -5.280 1.704 1.00 0.00 H new ATOM 1644 N GLY A 112 13.226 -8.153 3.424 1.00 0.00 N ATOM 1645 CA GLY A 112 12.334 -7.319 4.319 1.00 0.00 C ATOM 1646 C GLY A 112 11.789 -6.048 3.655 1.00 0.00 C ATOM 1647 O GLY A 112 10.596 -5.858 3.555 1.00 0.00 O ATOM 0 H GLY A 112 13.461 -7.721 2.530 1.00 0.00 H new ATOM 0 HA2 GLY A 112 11.495 -7.931 4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.894 -7.038 5.211 1.00 0.00 H new ATOM 1651 N HIS A 113 12.696 -5.213 3.228 1.00 0.00 N ATOM 1652 CA HIS A 113 12.347 -3.913 2.551 1.00 0.00 C ATOM 1653 C HIS A 113 13.408 -3.551 1.493 1.00 0.00 C ATOM 1654 O HIS A 113 14.448 -4.170 1.405 1.00 0.00 O ATOM 1655 CB HIS A 113 12.273 -2.844 3.657 1.00 0.00 C ATOM 1656 CG HIS A 113 13.679 -2.666 4.217 1.00 0.00 C ATOM 1657 ND1 HIS A 113 14.594 -1.924 3.685 1.00 0.00 N ATOM 1658 CD2 HIS A 113 14.271 -3.218 5.332 1.00 0.00 C ATOM 1659 CE1 HIS A 113 15.674 -1.999 4.404 1.00 0.00 C ATOM 1660 NE2 HIS A 113 15.515 -2.794 5.436 1.00 0.00 N ATOM 0 H HIS A 113 13.699 -5.376 3.320 1.00 0.00 H new ATOM 0 HA HIS A 113 11.395 -3.985 2.025 1.00 0.00 H new ATOM 0 HB2 HIS A 113 11.898 -1.902 3.256 1.00 0.00 H new ATOM 0 HB3 HIS A 113 11.584 -3.153 4.443 1.00 0.00 H new ATOM 0 HD2 HIS A 113 13.788 -3.897 6.019 1.00 0.00 H new ATOM 0 HE1 HIS A 113 16.590 -1.472 4.180 1.00 0.00 H new ATOM 0 HE2 HIS A 113 16.199 -3.030 6.155 1.00 0.00 H new ATOM 1668 N LEU A 114 13.115 -2.550 0.719 1.00 0.00 N ATOM 1669 CA LEU A 114 14.059 -2.083 -0.355 1.00 0.00 C ATOM 1670 C LEU A 114 14.166 -0.528 -0.217 1.00 0.00 C ATOM 1671 O LEU A 114 13.385 0.043 0.527 1.00 0.00 O ATOM 1672 CB LEU A 114 13.408 -2.605 -1.676 1.00 0.00 C ATOM 1673 CG LEU A 114 14.320 -2.548 -2.928 1.00 0.00 C ATOM 1674 CD1 LEU A 114 15.537 -3.487 -2.771 1.00 0.00 C ATOM 1675 CD2 LEU A 114 13.496 -3.074 -4.123 1.00 0.00 C ATOM 0 H LEU A 114 12.247 -2.018 0.778 1.00 0.00 H new ATOM 0 HA LEU A 114 15.084 -2.450 -0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 114 13.092 -3.637 -1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 114 12.509 -2.022 -1.874 1.00 0.00 H new ATOM 0 HG LEU A 114 14.667 -1.524 -3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 114 16.160 -3.427 -3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 114 16.120 -3.185 -1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 114 15.191 -4.512 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 114 14.107 -3.049 -5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 114 13.182 -4.099 -3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 114 12.616 -2.446 -4.263 1.00 0.00 H new ATOM 1687 N ASN A 115 15.080 0.157 -0.867 1.00 0.00 N ATOM 1688 CA ASN A 115 15.126 1.653 -0.703 1.00 0.00 C ATOM 1689 C ASN A 115 14.732 2.261 -2.067 1.00 0.00 C ATOM 1690 O ASN A 115 15.421 2.151 -3.065 1.00 0.00 O ATOM 1691 CB ASN A 115 16.550 2.057 -0.263 1.00 0.00 C ATOM 1692 CG ASN A 115 16.530 3.555 0.085 1.00 0.00 C ATOM 1693 OD1 ASN A 115 15.499 4.149 0.304 1.00 0.00 O ATOM 1694 ND2 ASN A 115 17.629 4.228 0.152 1.00 0.00 N ATOM 0 H ASN A 115 15.782 -0.241 -1.491 1.00 0.00 H new ATOM 0 HA ASN A 115 14.439 2.018 0.060 1.00 0.00 H new ATOM 0 HB2 ASN A 115 16.864 1.469 0.599 1.00 0.00 H new ATOM 0 HB3 ASN A 115 17.266 1.860 -1.061 1.00 0.00 H new ATOM 0 HD21 ASN A 115 17.605 5.221 0.382 1.00 0.00 H new ATOM 0 HD22 ASN A 115 18.521 3.767 -0.025 1.00 0.00 H new ATOM 1701 N VAL A 116 13.588 2.889 -2.015 1.00 0.00 N ATOM 1702 CA VAL A 116 12.991 3.544 -3.225 1.00 0.00 C ATOM 1703 C VAL A 116 12.447 4.981 -2.957 1.00 0.00 C ATOM 1704 O VAL A 116 12.484 5.489 -1.850 1.00 0.00 O ATOM 1705 CB VAL A 116 11.847 2.581 -3.747 1.00 0.00 C ATOM 1706 CG1 VAL A 116 12.234 1.066 -3.644 1.00 0.00 C ATOM 1707 CG2 VAL A 116 10.582 2.766 -2.899 1.00 0.00 C ATOM 0 H VAL A 116 13.027 2.980 -1.168 1.00 0.00 H new ATOM 0 HA VAL A 116 13.769 3.687 -3.975 1.00 0.00 H new ATOM 0 HB VAL A 116 11.687 2.844 -4.793 1.00 0.00 H new ATOM 0 HG11 VAL A 116 11.412 0.454 -4.016 1.00 0.00 H new ATOM 0 HG12 VAL A 116 13.126 0.877 -4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 116 12.434 0.811 -2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 116 9.799 2.101 -3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.804 2.530 -1.858 1.00 0.00 H new ATOM 0 HG23 VAL A 116 10.243 3.799 -2.972 1.00 0.00 H new ATOM 1717 N ASN A 117 11.954 5.606 -3.993 1.00 0.00 N ATOM 1718 CA ASN A 117 11.398 6.994 -3.831 1.00 0.00 C ATOM 1719 C ASN A 117 9.948 6.959 -4.315 1.00 0.00 C ATOM 1720 O ASN A 117 9.693 6.336 -5.335 1.00 0.00 O ATOM 1721 CB ASN A 117 12.280 7.948 -4.675 1.00 0.00 C ATOM 1722 CG ASN A 117 13.690 7.769 -4.175 1.00 0.00 C ATOM 1723 OD1 ASN A 117 14.247 8.574 -3.471 1.00 0.00 O ATOM 1724 ND2 ASN A 117 14.296 6.688 -4.525 1.00 0.00 N ATOM 0 H ASN A 117 11.909 5.225 -4.938 1.00 0.00 H new ATOM 0 HA ASN A 117 11.408 7.345 -2.799 1.00 0.00 H new ATOM 0 HB2 ASN A 117 12.210 7.707 -5.736 1.00 0.00 H new ATOM 0 HB3 ASN A 117 11.955 8.982 -4.561 1.00 0.00 H new ATOM 0 HD21 ASN A 117 15.249 6.512 -4.207 1.00 0.00 H new ATOM 0 HD22 ASN A 117 13.823 6.008 -5.121 1.00 0.00 H new ATOM 1731 N TYR A 118 9.069 7.609 -3.586 1.00 0.00 N ATOM 1732 CA TYR A 118 7.661 7.595 -4.033 1.00 0.00 C ATOM 1733 C TYR A 118 7.086 9.011 -3.868 1.00 0.00 C ATOM 1734 O TYR A 118 7.145 9.678 -2.852 1.00 0.00 O ATOM 1735 CB TYR A 118 6.896 6.477 -3.213 1.00 0.00 C ATOM 1736 CG TYR A 118 6.663 6.746 -1.723 1.00 0.00 C ATOM 1737 CD1 TYR A 118 5.892 7.807 -1.306 1.00 0.00 C ATOM 1738 CD2 TYR A 118 7.251 5.931 -0.774 1.00 0.00 C ATOM 1739 CE1 TYR A 118 5.713 8.060 0.035 1.00 0.00 C ATOM 1740 CE2 TYR A 118 7.071 6.192 0.571 1.00 0.00 C ATOM 1741 CZ TYR A 118 6.307 7.252 0.977 1.00 0.00 C ATOM 1742 OH TYR A 118 6.132 7.526 2.311 1.00 0.00 O ATOM 0 H TYR A 118 9.266 8.129 -2.731 1.00 0.00 H new ATOM 0 HA TYR A 118 7.552 7.340 -5.087 1.00 0.00 H new ATOM 0 HB2 TYR A 118 5.926 6.315 -3.684 1.00 0.00 H new ATOM 0 HB3 TYR A 118 7.455 5.546 -3.306 1.00 0.00 H new ATOM 0 HD1 TYR A 118 5.423 8.447 -2.038 1.00 0.00 H new ATOM 0 HD2 TYR A 118 7.852 5.089 -1.084 1.00 0.00 H new ATOM 0 HE1 TYR A 118 5.104 8.895 0.349 1.00 0.00 H new ATOM 0 HE2 TYR A 118 7.537 5.554 1.308 1.00 0.00 H new ATOM 0 HH TYR A 118 5.450 8.222 2.415 1.00 0.00 H new ATOM 1752 N GLN A 119 6.535 9.453 -4.950 1.00 0.00 N ATOM 1753 CA GLN A 119 5.919 10.821 -5.022 1.00 0.00 C ATOM 1754 C GLN A 119 4.455 10.653 -5.472 1.00 0.00 C ATOM 1755 O GLN A 119 4.219 9.953 -6.439 1.00 0.00 O ATOM 1756 CB GLN A 119 6.749 11.666 -6.054 1.00 0.00 C ATOM 1757 CG GLN A 119 8.318 11.630 -5.800 1.00 0.00 C ATOM 1758 CD GLN A 119 8.837 12.395 -4.582 1.00 0.00 C ATOM 1759 OE1 GLN A 119 8.716 11.916 -3.391 1.00 0.00 O flip ATOM 1760 NE2 GLN A 119 9.389 13.464 -4.669 1.00 0.00 N flip ATOM 0 H GLN A 119 6.477 8.920 -5.818 1.00 0.00 H new ATOM 0 HA GLN A 119 5.931 11.335 -4.061 1.00 0.00 H new ATOM 0 HB2 GLN A 119 6.545 11.297 -7.059 1.00 0.00 H new ATOM 0 HB3 GLN A 119 6.409 12.701 -6.019 1.00 0.00 H new ATOM 0 HG2 GLN A 119 8.622 10.588 -5.702 1.00 0.00 H new ATOM 0 HG3 GLN A 119 8.815 12.025 -6.686 1.00 0.00 H new ATOM 0 HE21 GLN A 119 9.517 13.899 -5.583 1.00 0.00 H new ATOM 0 HE22 GLN A 119 9.728 13.933 -3.829 1.00 0.00 H new ATOM 1769 N PHE A 120 3.491 11.243 -4.807 1.00 0.00 N ATOM 1770 CA PHE A 120 2.087 11.053 -5.290 1.00 0.00 C ATOM 1771 C PHE A 120 1.949 11.742 -6.664 1.00 0.00 C ATOM 1772 O PHE A 120 2.366 12.866 -6.891 1.00 0.00 O ATOM 1773 CB PHE A 120 1.096 11.658 -4.250 1.00 0.00 C ATOM 1774 CG PHE A 120 0.891 10.683 -3.066 1.00 0.00 C ATOM 1775 CD1 PHE A 120 1.970 10.174 -2.372 1.00 0.00 C ATOM 1776 CD2 PHE A 120 -0.380 10.290 -2.673 1.00 0.00 C ATOM 1777 CE1 PHE A 120 1.802 9.304 -1.321 1.00 0.00 C ATOM 1778 CE2 PHE A 120 -0.557 9.413 -1.614 1.00 0.00 C ATOM 1779 CZ PHE A 120 0.536 8.920 -0.939 1.00 0.00 C ATOM 0 H PHE A 120 3.607 11.828 -3.980 1.00 0.00 H new ATOM 0 HA PHE A 120 1.853 9.994 -5.400 1.00 0.00 H new ATOM 0 HB2 PHE A 120 1.481 12.609 -3.883 1.00 0.00 H new ATOM 0 HB3 PHE A 120 0.139 11.865 -4.729 1.00 0.00 H new ATOM 0 HD1 PHE A 120 2.969 10.466 -2.661 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -1.243 10.672 -3.199 1.00 0.00 H new ATOM 0 HE1 PHE A 120 2.664 8.921 -0.794 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -1.553 9.117 -1.319 1.00 0.00 H new ATOM 0 HZ PHE A 120 0.402 8.236 -0.114 1.00 0.00 H new ATOM 1789 N VAL A 121 1.349 10.973 -7.534 1.00 0.00 N ATOM 1790 CA VAL A 121 1.094 11.398 -8.945 1.00 0.00 C ATOM 1791 C VAL A 121 -0.378 11.158 -9.369 1.00 0.00 C ATOM 1792 O VAL A 121 -1.014 10.209 -8.960 1.00 0.00 O ATOM 1793 CB VAL A 121 2.108 10.588 -9.831 1.00 0.00 C ATOM 1794 CG1 VAL A 121 1.432 9.723 -10.912 1.00 0.00 C ATOM 1795 CG2 VAL A 121 3.087 11.526 -10.528 1.00 0.00 C ATOM 0 H VAL A 121 1.013 10.035 -7.317 1.00 0.00 H new ATOM 0 HA VAL A 121 1.244 12.471 -9.064 1.00 0.00 H new ATOM 0 HB VAL A 121 2.623 9.924 -9.137 1.00 0.00 H new ATOM 0 HG11 VAL A 121 2.194 9.194 -11.484 1.00 0.00 H new ATOM 0 HG12 VAL A 121 0.768 9.001 -10.437 1.00 0.00 H new ATOM 0 HG13 VAL A 121 0.855 10.362 -11.581 1.00 0.00 H new ATOM 0 HG21 VAL A 121 3.779 10.943 -11.136 1.00 0.00 H new ATOM 0 HG22 VAL A 121 2.537 12.217 -11.167 1.00 0.00 H new ATOM 0 HG23 VAL A 121 3.646 12.089 -9.781 1.00 0.00 H new ATOM 1805 N ASP A 122 -0.901 12.042 -10.170 1.00 0.00 N ATOM 1806 CA ASP A 122 -2.300 11.950 -10.680 1.00 0.00 C ATOM 1807 C ASP A 122 -2.426 11.173 -12.012 1.00 0.00 C ATOM 1808 O ASP A 122 -2.087 11.679 -13.066 1.00 0.00 O ATOM 1809 CB ASP A 122 -2.808 13.398 -10.807 1.00 0.00 C ATOM 1810 CG ASP A 122 -3.315 13.894 -9.463 1.00 0.00 C ATOM 1811 OD1 ASP A 122 -2.550 13.829 -8.523 1.00 0.00 O ATOM 1812 OD2 ASP A 122 -4.455 14.318 -9.457 1.00 0.00 O ATOM 0 H ASP A 122 -0.394 12.860 -10.507 1.00 0.00 H new ATOM 0 HA ASP A 122 -2.909 11.372 -9.985 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -2.005 14.044 -11.162 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -3.607 13.448 -11.547 1.00 0.00 H new ATOM 1817 N CYS A 123 -2.911 9.956 -11.964 1.00 0.00 N ATOM 1818 CA CYS A 123 -3.047 9.194 -13.255 1.00 0.00 C ATOM 1819 C CYS A 123 -4.271 9.670 -14.049 1.00 0.00 C ATOM 1820 O CYS A 123 -4.356 9.423 -15.231 1.00 0.00 O ATOM 1821 CB CYS A 123 -3.253 7.687 -13.026 1.00 0.00 C ATOM 1822 SG CYS A 123 -1.883 6.626 -12.518 1.00 0.00 S ATOM 0 H CYS A 123 -3.211 9.467 -11.121 1.00 0.00 H new ATOM 0 HA CYS A 123 -2.118 9.374 -13.795 1.00 0.00 H new ATOM 0 HB2 CYS A 123 -4.034 7.583 -12.272 1.00 0.00 H new ATOM 0 HB3 CYS A 123 -3.649 7.275 -13.954 1.00 0.00 H new ATOM 1827 N ARG A 124 -5.152 10.326 -13.348 1.00 0.00 N ATOM 1828 CA ARG A 124 -6.437 10.880 -13.885 1.00 0.00 C ATOM 1829 C ARG A 124 -7.024 10.051 -15.073 1.00 0.00 C ATOM 1830 O ARG A 124 -7.504 10.614 -16.040 1.00 0.00 O ATOM 1831 CB ARG A 124 -6.157 12.383 -14.302 1.00 0.00 C ATOM 1832 CG ARG A 124 -7.402 13.308 -14.027 1.00 0.00 C ATOM 1833 CD ARG A 124 -8.632 12.882 -14.852 1.00 0.00 C ATOM 1834 NE ARG A 124 -9.796 13.767 -14.457 1.00 0.00 N ATOM 1835 CZ ARG A 124 -10.518 13.529 -13.417 1.00 0.00 C ATOM 1836 NH1 ARG A 124 -10.627 12.345 -12.959 1.00 0.00 N ATOM 1837 NH2 ARG A 124 -11.115 14.513 -12.867 1.00 0.00 N ATOM 0 H ARG A 124 -5.025 10.514 -12.354 1.00 0.00 H new ATOM 0 HA ARG A 124 -7.203 10.824 -13.112 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -5.296 12.759 -13.750 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -5.900 12.425 -15.360 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -7.649 13.277 -12.966 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -7.146 14.340 -14.265 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -8.426 12.978 -15.918 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -8.870 11.835 -14.666 1.00 0.00 H new ATOM 0 HE ARG A 124 -10.016 14.579 -15.034 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -10.140 11.574 -13.416 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -11.201 12.168 -12.135 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -11.012 15.452 -13.252 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -11.695 14.361 -12.042 1.00 0.00 H new ATOM 1851 N ASP A 125 -6.957 8.749 -14.919 1.00 0.00 N ATOM 1852 CA ASP A 125 -7.462 7.756 -15.921 1.00 0.00 C ATOM 1853 C ASP A 125 -8.945 7.482 -15.550 1.00 0.00 C ATOM 1854 O ASP A 125 -9.798 7.962 -16.274 1.00 0.00 O ATOM 1855 CB ASP A 125 -6.540 6.517 -15.780 1.00 0.00 C ATOM 1856 CG ASP A 125 -6.607 5.429 -16.849 1.00 0.00 C ATOM 1857 OD1 ASP A 125 -7.590 5.168 -17.517 1.00 0.00 O ATOM 1858 OD2 ASP A 125 -5.538 4.847 -16.920 1.00 0.00 O ATOM 1859 OXT ASP A 125 -9.177 6.813 -14.552 1.00 0.00 O ATOM 0 H ASP A 125 -6.549 8.313 -14.092 1.00 0.00 H new ATOM 0 HA ASP A 125 -7.438 8.082 -16.961 1.00 0.00 H new ATOM 0 HB2 ASP A 125 -5.511 6.874 -15.735 1.00 0.00 H new ATOM 0 HB3 ASP A 125 -6.758 6.050 -14.819 1.00 0.00 H new TER 1864 ASP A 125