USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 619 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 45 LYS NZ :NH3+ 175:sc= 0.0178 (180deg=-0.0048) USER MOD Set 1.2: A 47 THR OG1 : rot 120:sc= -0.257 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 130:sc= -5.93! USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 170:sc= -0.171 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HE2:sc= -0.208 X(o=-0.21,f=-0.35) USER MOD Single : A 36 SER OG : rot 67:sc= 0.802 USER MOD Single : A 37 GLN : amide:sc= -4.04! K(o=-4!,f=-1.7) USER MOD Single : A 41 LYS NZ :NH3+ -161:sc= 0.352 (180deg=0.208) USER MOD Single : A 49 TYR OH : rot 50:sc= 0.772 USER MOD Single : A 51 GLN : amide:sc= -0.432 K(o=-0.43,f=-3.5!) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.0245 X(o=-0.024,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot -160:sc= -0.0245 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 16.605 10.696 8.990 1.00 0.00 N ATOM 2 CA ALA A 1 16.870 9.237 8.840 1.00 0.00 C ATOM 3 C ALA A 1 16.081 8.695 7.647 1.00 0.00 C ATOM 4 O ALA A 1 14.869 8.751 7.615 1.00 0.00 O ATOM 5 CB ALA A 1 16.435 8.508 10.112 1.00 0.00 C ATOM 0 H1 ALA A 1 17.141 11.065 9.801 1.00 0.00 H new ATOM 0 H2 ALA A 1 16.900 11.193 8.125 1.00 0.00 H new ATOM 0 H3 ALA A 1 15.589 10.850 9.148 1.00 0.00 H new ATOM 0 HA ALA A 1 17.935 9.076 8.674 1.00 0.00 H new ATOM 0 HB1 ALA A 1 16.628 7.441 10.004 1.00 0.00 H new ATOM 0 HB2 ALA A 1 16.997 8.894 10.963 1.00 0.00 H new ATOM 0 HB3 ALA A 1 15.370 8.669 10.277 1.00 0.00 H new ATOM 13 N GLU A 2 16.759 8.168 6.665 1.00 0.00 N ATOM 14 CA GLU A 2 16.045 7.621 5.478 1.00 0.00 C ATOM 15 C GLU A 2 15.810 6.125 5.675 1.00 0.00 C ATOM 16 O GLU A 2 15.831 5.624 6.782 1.00 0.00 O ATOM 17 CB GLU A 2 16.889 7.848 4.223 1.00 0.00 C ATOM 18 CG GLU A 2 16.028 8.492 3.133 1.00 0.00 C ATOM 19 CD GLU A 2 16.161 10.014 3.211 1.00 0.00 C ATOM 20 OE1 GLU A 2 17.099 10.537 2.631 1.00 0.00 O ATOM 21 OE2 GLU A 2 15.324 10.630 3.849 1.00 0.00 O ATOM 0 H GLU A 2 17.776 8.093 6.634 1.00 0.00 H new ATOM 0 HA GLU A 2 15.087 8.128 5.363 1.00 0.00 H new ATOM 0 HB2 GLU A 2 17.739 8.490 4.455 1.00 0.00 H new ATOM 0 HB3 GLU A 2 17.293 6.900 3.868 1.00 0.00 H new ATOM 0 HG2 GLU A 2 16.342 8.139 2.151 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.985 8.200 3.259 1.00 0.00 H new ATOM 28 N ILE A 3 15.580 5.406 4.613 1.00 0.00 N ATOM 29 CA ILE A 3 15.337 3.948 4.745 1.00 0.00 C ATOM 30 C ILE A 3 15.939 3.224 3.541 1.00 0.00 C ATOM 31 O ILE A 3 16.736 3.775 2.808 1.00 0.00 O ATOM 32 CB ILE A 3 13.834 3.655 4.808 1.00 0.00 C ATOM 33 CG1 ILE A 3 13.030 4.952 4.701 1.00 0.00 C ATOM 34 CG2 ILE A 3 13.504 2.970 6.131 1.00 0.00 C ATOM 35 CD1 ILE A 3 13.281 5.562 3.330 1.00 0.00 C ATOM 0 H ILE A 3 15.550 5.767 3.660 1.00 0.00 H new ATOM 0 HA ILE A 3 15.803 3.598 5.666 1.00 0.00 H new ATOM 0 HB ILE A 3 13.571 3.004 3.974 1.00 0.00 H new ATOM 0 HG12 ILE A 3 11.967 4.752 4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 3 13.327 5.648 5.486 1.00 0.00 H new ATOM 0 HG21 ILE A 3 12.435 2.762 6.176 1.00 0.00 H new ATOM 0 HG22 ILE A 3 14.060 2.035 6.205 1.00 0.00 H new ATOM 0 HG23 ILE A 3 13.781 3.623 6.958 1.00 0.00 H new ATOM 0 HD11 ILE A 3 12.715 6.489 3.235 1.00 0.00 H new ATOM 0 HD12 ILE A 3 14.344 5.772 3.215 1.00 0.00 H new ATOM 0 HD13 ILE A 3 12.964 4.862 2.557 1.00 0.00 H new ATOM 47 N GLU A 4 15.564 1.992 3.331 1.00 0.00 N ATOM 48 CA GLU A 4 16.115 1.233 2.173 1.00 0.00 C ATOM 49 C GLU A 4 15.072 0.230 1.678 1.00 0.00 C ATOM 50 O GLU A 4 14.240 -0.236 2.430 1.00 0.00 O ATOM 51 CB GLU A 4 17.375 0.486 2.613 1.00 0.00 C ATOM 52 CG GLU A 4 18.198 0.108 1.380 1.00 0.00 C ATOM 53 CD GLU A 4 19.546 -0.462 1.824 1.00 0.00 C ATOM 54 OE1 GLU A 4 20.430 0.324 2.122 1.00 0.00 O ATOM 55 OE2 GLU A 4 19.671 -1.676 1.856 1.00 0.00 O ATOM 0 H GLU A 4 14.900 1.478 3.911 1.00 0.00 H new ATOM 0 HA GLU A 4 16.363 1.924 1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 4 17.967 1.111 3.281 1.00 0.00 H new ATOM 0 HB3 GLU A 4 17.104 -0.410 3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 4 17.660 -0.627 0.781 1.00 0.00 H new ATOM 0 HG3 GLU A 4 18.351 0.983 0.749 1.00 0.00 H new ATOM 62 N VAL A 5 15.111 -0.110 0.418 1.00 0.00 N ATOM 63 CA VAL A 5 14.122 -1.085 -0.119 1.00 0.00 C ATOM 64 C VAL A 5 14.286 -2.417 0.614 1.00 0.00 C ATOM 65 O VAL A 5 15.240 -2.625 1.338 1.00 0.00 O ATOM 66 CB VAL A 5 14.358 -1.269 -1.624 1.00 0.00 C ATOM 67 CG1 VAL A 5 13.748 -2.591 -2.104 1.00 0.00 C ATOM 68 CG2 VAL A 5 13.696 -0.114 -2.372 1.00 0.00 C ATOM 0 H VAL A 5 15.784 0.245 -0.261 1.00 0.00 H new ATOM 0 HA VAL A 5 13.108 -0.717 0.035 1.00 0.00 H new ATOM 0 HB VAL A 5 15.431 -1.284 -1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 5 13.924 -2.706 -3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 5 14.210 -3.421 -1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.675 -2.588 -1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.857 -0.234 -3.443 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.626 -0.112 -2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 5 14.132 0.830 -2.043 1.00 0.00 H new ATOM 78 N GLY A 6 13.358 -3.318 0.443 1.00 0.00 N ATOM 79 CA GLY A 6 13.462 -4.629 1.143 1.00 0.00 C ATOM 80 C GLY A 6 13.215 -4.415 2.636 1.00 0.00 C ATOM 81 O GLY A 6 13.430 -5.296 3.444 1.00 0.00 O ATOM 0 H GLY A 6 12.535 -3.204 -0.149 1.00 0.00 H new ATOM 0 HA2 GLY A 6 12.734 -5.331 0.738 1.00 0.00 H new ATOM 0 HA3 GLY A 6 14.448 -5.064 0.983 1.00 0.00 H new ATOM 85 N ARG A 7 12.767 -3.246 3.008 1.00 0.00 N ATOM 86 CA ARG A 7 12.507 -2.969 4.448 1.00 0.00 C ATOM 87 C ARG A 7 10.999 -2.861 4.681 1.00 0.00 C ATOM 88 O ARG A 7 10.214 -2.921 3.758 1.00 0.00 O ATOM 89 CB ARG A 7 13.177 -1.650 4.837 1.00 0.00 C ATOM 90 CG ARG A 7 13.490 -1.653 6.335 1.00 0.00 C ATOM 91 CD ARG A 7 14.853 -0.999 6.570 1.00 0.00 C ATOM 92 NE ARG A 7 15.323 -1.316 7.948 1.00 0.00 N ATOM 93 CZ ARG A 7 15.365 -2.554 8.352 1.00 0.00 C ATOM 94 NH1 ARG A 7 15.988 -3.452 7.641 1.00 0.00 N ATOM 95 NH2 ARG A 7 14.782 -2.896 9.469 1.00 0.00 N ATOM 0 H ARG A 7 12.570 -2.471 2.375 1.00 0.00 H new ATOM 0 HA ARG A 7 12.912 -3.779 5.055 1.00 0.00 H new ATOM 0 HB2 ARG A 7 14.094 -1.514 4.264 1.00 0.00 H new ATOM 0 HB3 ARG A 7 12.523 -0.813 4.594 1.00 0.00 H new ATOM 0 HG2 ARG A 7 12.716 -1.113 6.881 1.00 0.00 H new ATOM 0 HG3 ARG A 7 13.494 -2.675 6.715 1.00 0.00 H new ATOM 0 HD2 ARG A 7 15.573 -1.360 5.836 1.00 0.00 H new ATOM 0 HD3 ARG A 7 14.778 0.080 6.439 1.00 0.00 H new ATOM 0 HE ARG A 7 15.612 -0.565 8.574 1.00 0.00 H new ATOM 0 HH11 ARG A 7 16.443 -3.186 6.768 1.00 0.00 H new ATOM 0 HH12 ARG A 7 16.020 -4.421 7.958 1.00 0.00 H new ATOM 0 HH21 ARG A 7 14.294 -2.194 10.025 1.00 0.00 H new ATOM 0 HH22 ARG A 7 14.815 -3.865 9.785 1.00 0.00 H new ATOM 109 N VAL A 8 10.588 -2.696 5.908 1.00 0.00 N ATOM 110 CA VAL A 8 9.130 -2.576 6.193 1.00 0.00 C ATOM 111 C VAL A 8 8.735 -1.097 6.158 1.00 0.00 C ATOM 112 O VAL A 8 9.292 -0.282 6.867 1.00 0.00 O ATOM 113 CB VAL A 8 8.832 -3.158 7.580 1.00 0.00 C ATOM 114 CG1 VAL A 8 7.455 -2.686 8.057 1.00 0.00 C ATOM 115 CG2 VAL A 8 8.842 -4.686 7.500 1.00 0.00 C ATOM 0 H VAL A 8 11.197 -2.639 6.724 1.00 0.00 H new ATOM 0 HA VAL A 8 8.559 -3.125 5.444 1.00 0.00 H new ATOM 0 HB VAL A 8 9.593 -2.819 8.283 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.249 -3.103 9.043 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.443 -1.598 8.113 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.692 -3.021 7.355 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.630 -5.103 8.485 1.00 0.00 H new ATOM 0 HG22 VAL A 8 8.081 -5.018 6.794 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.822 -5.026 7.165 1.00 0.00 H new ATOM 125 N TYR A 9 7.784 -0.740 5.338 1.00 0.00 N ATOM 126 CA TYR A 9 7.369 0.690 5.268 1.00 0.00 C ATOM 127 C TYR A 9 5.967 0.856 5.848 1.00 0.00 C ATOM 128 O TYR A 9 5.046 0.158 5.480 1.00 0.00 O ATOM 129 CB TYR A 9 7.343 1.160 3.813 1.00 0.00 C ATOM 130 CG TYR A 9 8.702 1.672 3.409 1.00 0.00 C ATOM 131 CD1 TYR A 9 9.850 0.917 3.671 1.00 0.00 C ATOM 132 CD2 TYR A 9 8.808 2.904 2.757 1.00 0.00 C ATOM 133 CE1 TYR A 9 11.107 1.398 3.283 1.00 0.00 C ATOM 134 CE2 TYR A 9 10.060 3.384 2.366 1.00 0.00 C ATOM 135 CZ TYR A 9 11.211 2.631 2.629 1.00 0.00 C ATOM 136 OH TYR A 9 12.447 3.105 2.238 1.00 0.00 O ATOM 0 H TYR A 9 7.279 -1.372 4.717 1.00 0.00 H new ATOM 0 HA TYR A 9 8.085 1.282 5.839 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.048 0.337 3.162 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.598 1.946 3.690 1.00 0.00 H new ATOM 0 HD1 TYR A 9 9.767 -0.036 4.172 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.921 3.485 2.555 1.00 0.00 H new ATOM 0 HE1 TYR A 9 11.995 0.818 3.488 1.00 0.00 H new ATOM 0 HE2 TYR A 9 10.140 4.335 1.861 1.00 0.00 H new ATOM 0 HH TYR A 9 12.410 3.378 1.297 1.00 0.00 H new ATOM 146 N THR A 10 5.787 1.798 6.727 1.00 0.00 N ATOM 147 CA THR A 10 4.432 2.021 7.291 1.00 0.00 C ATOM 148 C THR A 10 3.636 2.839 6.279 1.00 0.00 C ATOM 149 O THR A 10 3.800 4.037 6.167 1.00 0.00 O ATOM 150 CB THR A 10 4.528 2.789 8.607 1.00 0.00 C ATOM 151 OG1 THR A 10 5.531 2.203 9.426 1.00 0.00 O ATOM 152 CG2 THR A 10 3.178 2.727 9.319 1.00 0.00 C ATOM 0 H THR A 10 6.516 2.420 7.077 1.00 0.00 H new ATOM 0 HA THR A 10 3.944 1.066 7.486 1.00 0.00 H new ATOM 0 HB THR A 10 4.790 3.829 8.411 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.594 2.697 10.270 1.00 0.00 H new ATOM 0 HG21 THR A 10 3.238 3.273 10.260 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.412 3.176 8.687 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.919 1.687 9.519 1.00 0.00 H new ATOM 160 N GLY A 11 2.795 2.198 5.520 1.00 0.00 N ATOM 161 CA GLY A 11 2.014 2.936 4.492 1.00 0.00 C ATOM 162 C GLY A 11 0.826 3.653 5.135 1.00 0.00 C ATOM 163 O GLY A 11 0.008 3.052 5.807 1.00 0.00 O ATOM 0 H GLY A 11 2.615 1.195 5.567 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.655 3.660 3.990 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.659 2.243 3.730 1.00 0.00 H new ATOM 167 N LYS A 12 0.720 4.932 4.910 1.00 0.00 N ATOM 168 CA LYS A 12 -0.420 5.705 5.474 1.00 0.00 C ATOM 169 C LYS A 12 -1.557 5.667 4.458 1.00 0.00 C ATOM 170 O LYS A 12 -1.326 5.620 3.272 1.00 0.00 O ATOM 171 CB LYS A 12 0.002 7.161 5.708 1.00 0.00 C ATOM 172 CG LYS A 12 1.513 7.226 5.954 1.00 0.00 C ATOM 173 CD LYS A 12 1.879 8.588 6.546 1.00 0.00 C ATOM 174 CE LYS A 12 1.716 8.545 8.066 1.00 0.00 C ATOM 175 NZ LYS A 12 3.060 8.535 8.708 1.00 0.00 N ATOM 0 H LYS A 12 1.379 5.479 4.356 1.00 0.00 H new ATOM 0 HA LYS A 12 -0.735 5.274 6.424 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.262 7.770 4.844 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -0.534 7.572 6.563 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.815 6.430 6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.051 7.068 5.019 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.906 8.845 6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 12 1.240 9.364 6.123 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.145 9.409 8.406 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.155 7.657 8.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 2.951 8.506 9.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 3.589 7.697 8.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.580 9.395 8.439 1.00 0.00 H new ATOM 189 N VAL A 13 -2.780 5.686 4.892 1.00 0.00 N ATOM 190 CA VAL A 13 -3.888 5.641 3.903 1.00 0.00 C ATOM 191 C VAL A 13 -4.223 7.067 3.467 1.00 0.00 C ATOM 192 O VAL A 13 -4.704 7.868 4.242 1.00 0.00 O ATOM 193 CB VAL A 13 -5.118 4.995 4.539 1.00 0.00 C ATOM 194 CG1 VAL A 13 -6.193 4.783 3.473 1.00 0.00 C ATOM 195 CG2 VAL A 13 -4.731 3.643 5.144 1.00 0.00 C ATOM 0 H VAL A 13 -3.060 5.730 5.872 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.585 5.053 3.037 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.504 5.648 5.322 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.070 4.322 3.927 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.471 5.744 3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.805 4.131 2.690 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.609 3.183 5.598 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.343 2.991 4.361 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.965 3.791 5.905 1.00 0.00 H new ATOM 205 N THR A 14 -3.951 7.393 2.232 1.00 0.00 N ATOM 206 CA THR A 14 -4.230 8.774 1.749 1.00 0.00 C ATOM 207 C THR A 14 -5.169 8.732 0.537 1.00 0.00 C ATOM 208 O THR A 14 -5.612 9.756 0.055 1.00 0.00 O ATOM 209 CB THR A 14 -2.913 9.450 1.348 1.00 0.00 C ATOM 210 OG1 THR A 14 -2.691 9.263 -0.042 1.00 0.00 O ATOM 211 CG2 THR A 14 -1.751 8.842 2.136 1.00 0.00 C ATOM 0 H THR A 14 -3.548 6.763 1.538 1.00 0.00 H new ATOM 0 HA THR A 14 -4.707 9.339 2.549 1.00 0.00 H new ATOM 0 HB THR A 14 -2.976 10.515 1.570 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.942 9.825 -0.332 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.820 9.328 1.845 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.919 8.989 3.203 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.685 7.775 1.923 1.00 0.00 H new ATOM 219 N ARG A 15 -5.480 7.565 0.037 1.00 0.00 N ATOM 220 CA ARG A 15 -6.391 7.486 -1.144 1.00 0.00 C ATOM 221 C ARG A 15 -6.910 6.053 -1.313 1.00 0.00 C ATOM 222 O ARG A 15 -6.272 5.099 -0.913 1.00 0.00 O ATOM 223 CB ARG A 15 -5.624 7.907 -2.406 1.00 0.00 C ATOM 224 CG ARG A 15 -5.838 9.403 -2.658 1.00 0.00 C ATOM 225 CD ARG A 15 -4.504 10.141 -2.521 1.00 0.00 C ATOM 226 NE ARG A 15 -4.540 11.390 -3.333 1.00 0.00 N ATOM 227 CZ ARG A 15 -3.522 11.709 -4.083 1.00 0.00 C ATOM 228 NH1 ARG A 15 -2.338 11.847 -3.550 1.00 0.00 N ATOM 229 NH2 ARG A 15 -3.684 11.890 -5.365 1.00 0.00 N ATOM 0 H ARG A 15 -5.146 6.669 0.392 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.238 8.154 -0.989 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.561 7.696 -2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.969 7.330 -3.264 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.251 9.559 -3.655 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -6.561 9.802 -1.947 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -4.315 10.380 -1.475 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -3.687 9.501 -2.854 1.00 0.00 H new ATOM 0 HE ARG A 15 -5.361 11.995 -3.302 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.210 11.705 -2.548 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -1.541 12.096 -4.136 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -4.608 11.782 -5.783 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -2.886 12.139 -5.950 1.00 0.00 H new ATOM 243 N ILE A 16 -8.065 5.901 -1.912 1.00 0.00 N ATOM 244 CA ILE A 16 -8.640 4.538 -2.130 1.00 0.00 C ATOM 245 C ILE A 16 -9.302 4.507 -3.509 1.00 0.00 C ATOM 246 O ILE A 16 -9.592 5.536 -4.085 1.00 0.00 O ATOM 247 CB ILE A 16 -9.685 4.231 -1.053 1.00 0.00 C ATOM 248 CG1 ILE A 16 -9.054 4.409 0.329 1.00 0.00 C ATOM 249 CG2 ILE A 16 -10.171 2.785 -1.208 1.00 0.00 C ATOM 250 CD1 ILE A 16 -9.990 3.838 1.395 1.00 0.00 C ATOM 0 H ILE A 16 -8.638 6.669 -2.262 1.00 0.00 H new ATOM 0 HA ILE A 16 -7.849 3.790 -2.073 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.530 4.911 -1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -8.090 3.903 0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.867 5.465 0.522 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -10.915 2.567 -0.441 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.617 2.655 -2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.327 2.104 -1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.540 3.965 2.380 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -10.944 4.364 1.361 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.154 2.777 1.205 1.00 0.00 H new ATOM 262 N VAL A 17 -9.540 3.345 -4.053 1.00 0.00 N ATOM 263 CA VAL A 17 -10.176 3.288 -5.401 1.00 0.00 C ATOM 264 C VAL A 17 -11.205 2.145 -5.449 1.00 0.00 C ATOM 265 O VAL A 17 -11.095 1.165 -4.742 1.00 0.00 O ATOM 266 CB VAL A 17 -9.089 3.083 -6.480 1.00 0.00 C ATOM 267 CG1 VAL A 17 -7.729 3.539 -5.959 1.00 0.00 C ATOM 268 CG2 VAL A 17 -8.979 1.613 -6.856 1.00 0.00 C ATOM 0 H VAL A 17 -9.325 2.442 -3.629 1.00 0.00 H new ATOM 0 HA VAL A 17 -10.693 4.227 -5.597 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.375 3.671 -7.352 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.974 3.388 -6.731 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.775 4.596 -5.699 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.465 2.959 -5.075 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -8.209 1.489 -7.617 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.715 1.030 -5.973 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -9.935 1.265 -7.247 1.00 0.00 H new ATOM 278 N ASP A 18 -12.195 2.254 -6.287 1.00 0.00 N ATOM 279 CA ASP A 18 -13.207 1.166 -6.377 1.00 0.00 C ATOM 280 C ASP A 18 -12.504 -0.145 -6.742 1.00 0.00 C ATOM 281 O ASP A 18 -12.806 -1.195 -6.210 1.00 0.00 O ATOM 282 CB ASP A 18 -14.235 1.510 -7.457 1.00 0.00 C ATOM 283 CG ASP A 18 -15.170 0.319 -7.668 1.00 0.00 C ATOM 284 OD1 ASP A 18 -14.840 -0.532 -8.478 1.00 0.00 O ATOM 285 OD2 ASP A 18 -16.200 0.275 -7.016 1.00 0.00 O ATOM 0 H ASP A 18 -12.348 3.046 -6.912 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.714 1.058 -5.418 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.809 2.389 -7.162 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.729 1.759 -8.390 1.00 0.00 H new ATOM 290 N PHE A 19 -11.570 -0.088 -7.651 1.00 0.00 N ATOM 291 CA PHE A 19 -10.842 -1.323 -8.066 1.00 0.00 C ATOM 292 C PHE A 19 -9.599 -1.519 -7.193 1.00 0.00 C ATOM 293 O PHE A 19 -8.615 -2.080 -7.632 1.00 0.00 O ATOM 294 CB PHE A 19 -10.395 -1.177 -9.523 1.00 0.00 C ATOM 295 CG PHE A 19 -9.776 0.187 -9.704 1.00 0.00 C ATOM 296 CD1 PHE A 19 -8.446 0.411 -9.318 1.00 0.00 C ATOM 297 CD2 PHE A 19 -10.537 1.234 -10.235 1.00 0.00 C ATOM 298 CE1 PHE A 19 -7.883 1.684 -9.464 1.00 0.00 C ATOM 299 CE2 PHE A 19 -9.974 2.504 -10.378 1.00 0.00 C ATOM 300 CZ PHE A 19 -8.647 2.728 -9.990 1.00 0.00 C ATOM 0 H PHE A 19 -11.277 0.765 -8.127 1.00 0.00 H new ATOM 0 HA PHE A 19 -11.506 -2.180 -7.954 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.676 -1.955 -9.777 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.246 -1.298 -10.193 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -7.858 -0.397 -8.909 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -11.560 1.060 -10.534 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.859 1.859 -9.170 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -10.561 3.313 -10.787 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.213 3.711 -10.098 1.00 0.00 H new ATOM 310 N GLY A 20 -9.617 -1.066 -5.968 1.00 0.00 N ATOM 311 CA GLY A 20 -8.409 -1.248 -5.113 1.00 0.00 C ATOM 312 C GLY A 20 -8.281 -0.110 -4.095 1.00 0.00 C ATOM 313 O GLY A 20 -9.254 0.448 -3.634 1.00 0.00 O ATOM 0 H GLY A 20 -10.402 -0.586 -5.528 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.469 -2.203 -4.591 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -7.518 -1.283 -5.739 1.00 0.00 H new ATOM 317 N ALA A 21 -7.071 0.232 -3.738 1.00 0.00 N ATOM 318 CA ALA A 21 -6.853 1.326 -2.753 1.00 0.00 C ATOM 319 C ALA A 21 -5.470 1.925 -2.978 1.00 0.00 C ATOM 320 O ALA A 21 -4.555 1.250 -3.394 1.00 0.00 O ATOM 321 CB ALA A 21 -6.917 0.766 -1.333 1.00 0.00 C ATOM 0 H ALA A 21 -6.219 -0.205 -4.091 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.624 2.086 -2.882 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.757 1.572 -0.617 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -7.896 0.318 -1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.144 0.008 -1.206 1.00 0.00 H new ATOM 327 N PHE A 22 -5.312 3.187 -2.711 1.00 0.00 N ATOM 328 CA PHE A 22 -3.994 3.843 -2.897 1.00 0.00 C ATOM 329 C PHE A 22 -3.373 4.110 -1.523 1.00 0.00 C ATOM 330 O PHE A 22 -4.051 4.092 -0.515 1.00 0.00 O ATOM 331 CB PHE A 22 -4.201 5.163 -3.639 1.00 0.00 C ATOM 332 CG PHE A 22 -4.467 4.892 -5.103 1.00 0.00 C ATOM 333 CD1 PHE A 22 -4.590 3.576 -5.576 1.00 0.00 C ATOM 334 CD2 PHE A 22 -4.580 5.965 -5.991 1.00 0.00 C ATOM 335 CE1 PHE A 22 -4.823 3.337 -6.933 1.00 0.00 C ATOM 336 CE2 PHE A 22 -4.810 5.726 -7.352 1.00 0.00 C ATOM 337 CZ PHE A 22 -4.930 4.411 -7.821 1.00 0.00 C ATOM 0 H PHE A 22 -6.051 3.800 -2.367 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.329 3.202 -3.475 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -5.038 5.708 -3.203 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -3.319 5.794 -3.531 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.504 2.747 -4.890 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -4.490 6.978 -5.628 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.920 2.324 -7.295 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -4.895 6.555 -8.039 1.00 0.00 H new ATOM 0 HZ PHE A 22 -5.106 4.227 -8.871 1.00 0.00 H new ATOM 347 N VAL A 23 -2.092 4.353 -1.469 1.00 0.00 N ATOM 348 CA VAL A 23 -1.446 4.610 -0.152 1.00 0.00 C ATOM 349 C VAL A 23 -0.265 5.569 -0.336 1.00 0.00 C ATOM 350 O VAL A 23 0.241 5.742 -1.426 1.00 0.00 O ATOM 351 CB VAL A 23 -0.962 3.280 0.435 1.00 0.00 C ATOM 352 CG1 VAL A 23 0.050 3.535 1.550 1.00 0.00 C ATOM 353 CG2 VAL A 23 -2.157 2.523 1.012 1.00 0.00 C ATOM 0 H VAL A 23 -1.468 4.385 -2.275 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.163 5.066 0.531 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.489 2.694 -0.353 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.387 2.583 1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.904 4.080 1.148 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.418 4.124 2.339 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.819 1.575 1.431 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.623 3.121 1.795 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.883 2.332 0.222 1.00 0.00 H new ATOM 363 N ALA A 24 0.171 6.198 0.722 1.00 0.00 N ATOM 364 CA ALA A 24 1.314 7.147 0.610 1.00 0.00 C ATOM 365 C ALA A 24 2.315 6.881 1.742 1.00 0.00 C ATOM 366 O ALA A 24 1.936 6.696 2.880 1.00 0.00 O ATOM 367 CB ALA A 24 0.793 8.581 0.719 1.00 0.00 C ATOM 0 H ALA A 24 -0.216 6.095 1.660 1.00 0.00 H new ATOM 0 HA ALA A 24 1.809 7.009 -0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.627 9.278 0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.081 8.771 -0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.299 8.717 1.681 1.00 0.00 H new ATOM 373 N ILE A 25 3.592 6.861 1.448 1.00 0.00 N ATOM 374 CA ILE A 25 4.597 6.607 2.522 1.00 0.00 C ATOM 375 C ILE A 25 5.363 7.901 2.823 1.00 0.00 C ATOM 376 O ILE A 25 4.903 8.743 3.569 1.00 0.00 O ATOM 377 CB ILE A 25 5.581 5.523 2.066 1.00 0.00 C ATOM 378 CG1 ILE A 25 5.719 5.566 0.541 1.00 0.00 C ATOM 379 CG2 ILE A 25 5.069 4.147 2.494 1.00 0.00 C ATOM 380 CD1 ILE A 25 6.781 4.562 0.090 1.00 0.00 C ATOM 0 H ILE A 25 3.979 7.009 0.516 1.00 0.00 H new ATOM 0 HA ILE A 25 4.084 6.270 3.423 1.00 0.00 H new ATOM 0 HB ILE A 25 6.553 5.704 2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.763 5.333 0.073 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.995 6.570 0.219 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.771 3.380 2.168 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.975 4.115 3.579 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.095 3.964 2.040 1.00 0.00 H new ATOM 0 HD11 ILE A 25 6.876 4.596 -0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.738 4.815 0.546 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.487 3.558 0.397 1.00 0.00 H new ATOM 392 N GLY A 26 6.527 8.069 2.249 1.00 0.00 N ATOM 393 CA GLY A 26 7.313 9.309 2.506 1.00 0.00 C ATOM 394 C GLY A 26 8.784 9.061 2.166 1.00 0.00 C ATOM 395 O GLY A 26 9.363 9.739 1.342 1.00 0.00 O ATOM 0 H GLY A 26 6.965 7.401 1.615 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.923 10.130 1.905 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.215 9.604 3.551 1.00 0.00 H new ATOM 399 N GLY A 27 9.395 8.091 2.795 1.00 0.00 N ATOM 400 CA GLY A 27 10.828 7.801 2.505 1.00 0.00 C ATOM 401 C GLY A 27 11.061 7.835 0.995 1.00 0.00 C ATOM 402 O GLY A 27 12.106 8.242 0.526 1.00 0.00 O ATOM 0 H GLY A 27 8.963 7.489 3.496 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.465 8.535 2.998 1.00 0.00 H new ATOM 0 HA3 GLY A 27 11.100 6.824 2.903 1.00 0.00 H new ATOM 406 N GLY A 28 10.093 7.411 0.229 1.00 0.00 N ATOM 407 CA GLY A 28 10.256 7.421 -1.252 1.00 0.00 C ATOM 408 C GLY A 28 9.138 8.255 -1.877 1.00 0.00 C ATOM 409 O GLY A 28 9.367 9.333 -2.391 1.00 0.00 O ATOM 0 H GLY A 28 9.197 7.058 0.565 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.228 7.836 -1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.226 6.403 -1.640 1.00 0.00 H new ATOM 413 N LYS A 29 7.928 7.769 -1.835 1.00 0.00 N ATOM 414 CA LYS A 29 6.798 8.537 -2.424 1.00 0.00 C ATOM 415 C LYS A 29 5.467 7.971 -1.913 1.00 0.00 C ATOM 416 O LYS A 29 5.101 8.160 -0.767 1.00 0.00 O ATOM 417 CB LYS A 29 6.860 8.455 -3.953 1.00 0.00 C ATOM 418 CG LYS A 29 7.779 9.553 -4.489 1.00 0.00 C ATOM 419 CD LYS A 29 7.124 10.215 -5.704 1.00 0.00 C ATOM 420 CE LYS A 29 7.981 9.967 -6.946 1.00 0.00 C ATOM 421 NZ LYS A 29 7.131 10.081 -8.164 1.00 0.00 N ATOM 0 H LYS A 29 7.674 6.873 -1.418 1.00 0.00 H new ATOM 0 HA LYS A 29 6.873 9.582 -2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.229 7.476 -4.260 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.861 8.566 -4.374 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.967 10.296 -3.714 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.745 9.131 -4.767 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.122 9.812 -5.854 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.015 11.286 -5.533 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.796 10.689 -6.989 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.434 8.977 -6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.712 9.913 -9.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.368 9.376 -8.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.719 11.035 -8.212 1.00 0.00 H new ATOM 435 N GLU A 30 4.730 7.288 -2.744 1.00 0.00 N ATOM 436 CA GLU A 30 3.428 6.747 -2.275 1.00 0.00 C ATOM 437 C GLU A 30 3.323 5.248 -2.559 1.00 0.00 C ATOM 438 O GLU A 30 3.884 4.736 -3.508 1.00 0.00 O ATOM 439 CB GLU A 30 2.289 7.477 -2.988 1.00 0.00 C ATOM 440 CG GLU A 30 2.668 8.947 -3.184 1.00 0.00 C ATOM 441 CD GLU A 30 1.442 9.731 -3.654 1.00 0.00 C ATOM 442 OE1 GLU A 30 0.666 10.144 -2.808 1.00 0.00 O ATOM 443 OE2 GLU A 30 1.298 9.905 -4.854 1.00 0.00 O ATOM 0 H GLU A 30 4.970 7.084 -3.714 1.00 0.00 H new ATOM 0 HA GLU A 30 3.358 6.901 -1.198 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.091 7.010 -3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.372 7.402 -2.403 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.044 9.364 -2.250 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.470 9.032 -3.917 1.00 0.00 H new ATOM 450 N GLY A 31 2.583 4.551 -1.743 1.00 0.00 N ATOM 451 CA GLY A 31 2.397 3.089 -1.945 1.00 0.00 C ATOM 452 C GLY A 31 1.019 2.864 -2.570 1.00 0.00 C ATOM 453 O GLY A 31 0.335 3.804 -2.926 1.00 0.00 O ATOM 0 H GLY A 31 2.094 4.938 -0.936 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.178 2.693 -2.594 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.474 2.561 -0.994 1.00 0.00 H new ATOM 457 N LEU A 32 0.591 1.639 -2.705 1.00 0.00 N ATOM 458 CA LEU A 32 -0.750 1.405 -3.306 1.00 0.00 C ATOM 459 C LEU A 32 -1.382 0.132 -2.751 1.00 0.00 C ATOM 460 O LEU A 32 -0.851 -0.952 -2.896 1.00 0.00 O ATOM 461 CB LEU A 32 -0.633 1.259 -4.818 1.00 0.00 C ATOM 462 CG LEU A 32 -2.005 1.536 -5.421 1.00 0.00 C ATOM 463 CD1 LEU A 32 -1.959 2.843 -6.193 1.00 0.00 C ATOM 464 CD2 LEU A 32 -2.412 0.404 -6.363 1.00 0.00 C ATOM 0 H LEU A 32 1.104 0.802 -2.429 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.375 2.262 -3.057 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.106 1.957 -5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.296 0.256 -5.080 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.738 1.604 -4.617 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.939 3.045 -6.626 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.686 3.655 -5.518 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.219 2.769 -6.990 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.394 0.617 -6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.682 0.320 -7.168 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.451 -0.534 -5.809 1.00 0.00 H new ATOM 476 N VAL A 33 -2.536 0.246 -2.159 1.00 0.00 N ATOM 477 CA VAL A 33 -3.224 -0.963 -1.649 1.00 0.00 C ATOM 478 C VAL A 33 -4.211 -1.420 -2.724 1.00 0.00 C ATOM 479 O VAL A 33 -5.410 -1.444 -2.520 1.00 0.00 O ATOM 480 CB VAL A 33 -3.982 -0.632 -0.365 1.00 0.00 C ATOM 481 CG1 VAL A 33 -4.683 -1.888 0.151 1.00 0.00 C ATOM 482 CG2 VAL A 33 -3.004 -0.126 0.693 1.00 0.00 C ATOM 0 H VAL A 33 -3.030 1.125 -2.008 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.500 -1.747 -1.428 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.723 0.140 -0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.224 -1.652 1.067 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.384 -2.249 -0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.942 -2.660 0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.548 0.109 1.608 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.261 -0.896 0.900 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.504 0.771 0.327 1.00 0.00 H new ATOM 492 N HIS A 34 -3.722 -1.762 -3.884 1.00 0.00 N ATOM 493 CA HIS A 34 -4.646 -2.200 -4.959 1.00 0.00 C ATOM 494 C HIS A 34 -5.603 -3.250 -4.385 1.00 0.00 C ATOM 495 O HIS A 34 -5.319 -3.877 -3.384 1.00 0.00 O ATOM 496 CB HIS A 34 -3.850 -2.803 -6.117 1.00 0.00 C ATOM 497 CG HIS A 34 -4.637 -2.659 -7.391 1.00 0.00 C ATOM 498 ND1 HIS A 34 -4.805 -3.711 -8.278 1.00 0.00 N ATOM 499 CD2 HIS A 34 -5.312 -1.594 -7.940 1.00 0.00 C ATOM 500 CE1 HIS A 34 -5.553 -3.263 -9.303 1.00 0.00 C ATOM 501 NE2 HIS A 34 -5.890 -1.979 -9.147 1.00 0.00 N ATOM 0 H HIS A 34 -2.732 -1.756 -4.130 1.00 0.00 H new ATOM 0 HA HIS A 34 -5.211 -1.346 -5.331 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.887 -2.300 -6.212 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.642 -3.855 -5.921 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -4.430 -4.654 -8.173 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.383 -0.609 -7.502 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.845 -3.867 -10.149 1.00 0.00 H new ATOM 509 N ILE A 35 -6.733 -3.440 -5.001 1.00 0.00 N ATOM 510 CA ILE A 35 -7.710 -4.438 -4.485 1.00 0.00 C ATOM 511 C ILE A 35 -6.990 -5.747 -4.153 1.00 0.00 C ATOM 512 O ILE A 35 -7.142 -6.291 -3.077 1.00 0.00 O ATOM 513 CB ILE A 35 -8.778 -4.693 -5.552 1.00 0.00 C ATOM 514 CG1 ILE A 35 -9.611 -5.915 -5.159 1.00 0.00 C ATOM 515 CG2 ILE A 35 -8.100 -4.953 -6.899 1.00 0.00 C ATOM 516 CD1 ILE A 35 -10.426 -5.601 -3.902 1.00 0.00 C ATOM 0 H ILE A 35 -7.025 -2.945 -5.844 1.00 0.00 H new ATOM 0 HA ILE A 35 -8.180 -4.053 -3.580 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.427 -3.821 -5.632 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.277 -6.191 -5.976 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.958 -6.769 -4.977 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.859 -5.135 -7.660 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.505 -4.084 -7.181 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.452 -5.826 -6.818 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.018 -6.473 -3.625 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.751 -5.346 -3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.090 -4.760 -4.100 1.00 0.00 H new ATOM 528 N SER A 36 -6.218 -6.263 -5.071 1.00 0.00 N ATOM 529 CA SER A 36 -5.495 -7.542 -4.811 1.00 0.00 C ATOM 530 C SER A 36 -4.210 -7.277 -4.015 1.00 0.00 C ATOM 531 O SER A 36 -3.166 -7.814 -4.323 1.00 0.00 O ATOM 532 CB SER A 36 -5.140 -8.201 -6.143 1.00 0.00 C ATOM 533 OG SER A 36 -4.033 -7.523 -6.722 1.00 0.00 O ATOM 0 H SER A 36 -6.056 -5.854 -5.991 1.00 0.00 H new ATOM 0 HA SER A 36 -6.140 -8.202 -4.230 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.897 -9.252 -5.988 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.995 -8.167 -6.818 1.00 0.00 H new ATOM 0 HG SER A 36 -3.235 -7.671 -6.173 1.00 0.00 H new ATOM 539 N GLN A 37 -4.269 -6.458 -2.999 1.00 0.00 N ATOM 540 CA GLN A 37 -3.037 -6.178 -2.209 1.00 0.00 C ATOM 541 C GLN A 37 -3.386 -6.005 -0.728 1.00 0.00 C ATOM 542 O GLN A 37 -2.763 -5.232 -0.028 1.00 0.00 O ATOM 543 CB GLN A 37 -2.385 -4.896 -2.730 1.00 0.00 C ATOM 544 CG GLN A 37 -2.051 -5.063 -4.213 1.00 0.00 C ATOM 545 CD GLN A 37 -0.947 -6.113 -4.386 1.00 0.00 C ATOM 546 OE1 GLN A 37 -0.623 -6.487 -5.496 1.00 0.00 O ATOM 547 NE2 GLN A 37 -0.350 -6.614 -3.335 1.00 0.00 N ATOM 0 H GLN A 37 -5.110 -5.975 -2.684 1.00 0.00 H new ATOM 0 HA GLN A 37 -2.347 -7.015 -2.315 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.058 -4.050 -2.590 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.479 -4.680 -2.164 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.942 -5.366 -4.763 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.727 -4.110 -4.631 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.617 -6.304 -2.401 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.383 -7.314 -3.450 1.00 0.00 H new ATOM 556 N ILE A 38 -4.370 -6.712 -0.235 1.00 0.00 N ATOM 557 CA ILE A 38 -4.726 -6.562 1.205 1.00 0.00 C ATOM 558 C ILE A 38 -4.584 -7.903 1.927 1.00 0.00 C ATOM 559 O ILE A 38 -3.508 -8.298 2.327 1.00 0.00 O ATOM 560 CB ILE A 38 -6.166 -6.058 1.352 1.00 0.00 C ATOM 561 CG1 ILE A 38 -6.248 -4.593 0.915 1.00 0.00 C ATOM 562 CG2 ILE A 38 -6.577 -6.166 2.822 1.00 0.00 C ATOM 563 CD1 ILE A 38 -5.818 -4.469 -0.546 1.00 0.00 C ATOM 0 H ILE A 38 -4.936 -7.379 -0.761 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.046 -5.836 1.650 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.830 -6.657 0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -7.266 -4.223 1.038 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.607 -3.978 1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -7.600 -5.810 2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.515 -7.206 3.142 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.909 -5.558 3.432 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.877 -3.425 -0.855 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.793 -4.822 -0.655 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.477 -5.071 -1.172 1.00 0.00 H new ATOM 575 N ALA A 39 -5.672 -8.595 2.108 1.00 0.00 N ATOM 576 CA ALA A 39 -5.630 -9.902 2.816 1.00 0.00 C ATOM 577 C ALA A 39 -5.598 -11.033 1.793 1.00 0.00 C ATOM 578 O ALA A 39 -6.258 -12.040 1.953 1.00 0.00 O ATOM 579 CB ALA A 39 -6.885 -10.039 3.677 1.00 0.00 C ATOM 0 H ALA A 39 -6.598 -8.307 1.792 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.740 -9.953 3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -6.864 -10.995 4.201 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.918 -9.227 4.404 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.769 -9.993 3.041 1.00 0.00 H new ATOM 585 N ASP A 40 -4.842 -10.867 0.741 1.00 0.00 N ATOM 586 CA ASP A 40 -4.762 -11.919 -0.313 1.00 0.00 C ATOM 587 C ASP A 40 -5.947 -11.763 -1.269 1.00 0.00 C ATOM 588 O ASP A 40 -5.776 -11.508 -2.444 1.00 0.00 O ATOM 589 CB ASP A 40 -4.795 -13.310 0.326 1.00 0.00 C ATOM 590 CG ASP A 40 -4.236 -14.337 -0.661 1.00 0.00 C ATOM 591 OD1 ASP A 40 -3.080 -14.208 -1.029 1.00 0.00 O ATOM 592 OD2 ASP A 40 -4.973 -15.235 -1.032 1.00 0.00 O ATOM 0 H ASP A 40 -4.271 -10.040 0.566 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.827 -11.808 -0.863 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.207 -13.314 1.244 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.817 -13.572 0.600 1.00 0.00 H new ATOM 597 N LYS A 41 -7.150 -11.922 -0.781 1.00 0.00 N ATOM 598 CA LYS A 41 -8.331 -11.790 -1.680 1.00 0.00 C ATOM 599 C LYS A 41 -9.652 -11.734 -0.885 1.00 0.00 C ATOM 600 O LYS A 41 -10.715 -11.629 -1.463 1.00 0.00 O ATOM 601 CB LYS A 41 -8.341 -12.988 -2.628 1.00 0.00 C ATOM 602 CG LYS A 41 -9.045 -14.183 -1.974 1.00 0.00 C ATOM 603 CD LYS A 41 -8.583 -15.476 -2.648 1.00 0.00 C ATOM 604 CE LYS A 41 -8.304 -16.536 -1.581 1.00 0.00 C ATOM 605 NZ LYS A 41 -7.077 -17.299 -1.948 1.00 0.00 N ATOM 0 H LYS A 41 -7.363 -12.136 0.193 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.253 -10.856 -2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -8.849 -12.722 -3.555 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.319 -13.260 -2.891 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -8.818 -14.214 -0.908 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.126 -14.078 -2.067 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.348 -15.832 -3.338 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.684 -15.291 -3.236 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.173 -16.062 -0.608 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.154 -17.213 -1.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -7.060 -18.200 -1.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.079 -17.489 -2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.235 -16.741 -1.701 1.00 0.00 H new ATOM 619 N ARG A 42 -9.610 -11.806 0.420 1.00 0.00 N ATOM 620 CA ARG A 42 -10.876 -11.758 1.206 1.00 0.00 C ATOM 621 C ARG A 42 -11.341 -10.306 1.381 1.00 0.00 C ATOM 622 O ARG A 42 -12.113 -10.004 2.269 1.00 0.00 O ATOM 623 CB ARG A 42 -10.642 -12.387 2.581 1.00 0.00 C ATOM 624 CG ARG A 42 -10.949 -13.885 2.519 1.00 0.00 C ATOM 625 CD ARG A 42 -12.438 -14.087 2.230 1.00 0.00 C ATOM 626 NE ARG A 42 -13.111 -14.631 3.444 1.00 0.00 N ATOM 627 CZ ARG A 42 -13.384 -15.905 3.526 1.00 0.00 C ATOM 628 NH1 ARG A 42 -12.450 -16.789 3.306 1.00 0.00 N ATOM 629 NH2 ARG A 42 -14.592 -16.295 3.828 1.00 0.00 N ATOM 0 H ARG A 42 -8.757 -11.896 0.972 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.647 -12.312 0.671 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.610 -12.230 2.893 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -11.277 -11.906 3.325 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.349 -14.359 1.742 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.682 -14.361 3.462 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.895 -13.140 1.941 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.567 -14.772 1.392 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.359 -14.007 4.212 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.505 -16.485 3.070 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.664 -17.784 3.370 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.323 -15.605 4.000 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.806 -17.290 3.892 1.00 0.00 H new ATOM 643 N VAL A 43 -10.886 -9.404 0.552 1.00 0.00 N ATOM 644 CA VAL A 43 -11.316 -7.988 0.695 1.00 0.00 C ATOM 645 C VAL A 43 -12.373 -7.670 -0.359 1.00 0.00 C ATOM 646 O VAL A 43 -12.150 -6.887 -1.261 1.00 0.00 O ATOM 647 CB VAL A 43 -10.115 -7.063 0.515 1.00 0.00 C ATOM 648 CG1 VAL A 43 -10.560 -5.610 0.683 1.00 0.00 C ATOM 649 CG2 VAL A 43 -9.064 -7.399 1.569 1.00 0.00 C ATOM 0 H VAL A 43 -10.238 -9.588 -0.214 1.00 0.00 H new ATOM 0 HA VAL A 43 -11.737 -7.836 1.689 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.693 -7.198 -0.481 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.702 -4.950 0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -11.316 -5.372 -0.065 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -10.979 -5.471 1.680 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -8.203 -6.742 1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -9.488 -7.260 2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -8.749 -8.436 1.451 1.00 0.00 H new ATOM 659 N GLU A 44 -13.529 -8.264 -0.246 1.00 0.00 N ATOM 660 CA GLU A 44 -14.605 -7.986 -1.237 1.00 0.00 C ATOM 661 C GLU A 44 -14.695 -6.478 -1.463 1.00 0.00 C ATOM 662 O GLU A 44 -15.150 -6.018 -2.492 1.00 0.00 O ATOM 663 CB GLU A 44 -15.938 -8.504 -0.695 1.00 0.00 C ATOM 664 CG GLU A 44 -16.227 -9.884 -1.289 1.00 0.00 C ATOM 665 CD GLU A 44 -17.472 -10.476 -0.627 1.00 0.00 C ATOM 666 OE1 GLU A 44 -18.274 -9.706 -0.125 1.00 0.00 O ATOM 667 OE2 GLU A 44 -17.601 -11.689 -0.632 1.00 0.00 O ATOM 0 H GLU A 44 -13.774 -8.928 0.488 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.380 -8.485 -2.180 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -15.902 -8.565 0.393 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -16.740 -7.811 -0.949 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -16.378 -9.803 -2.365 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -15.373 -10.543 -1.136 1.00 0.00 H new ATOM 674 N LYS A 45 -14.261 -5.703 -0.507 1.00 0.00 N ATOM 675 CA LYS A 45 -14.317 -4.223 -0.663 1.00 0.00 C ATOM 676 C LYS A 45 -12.989 -3.613 -0.207 1.00 0.00 C ATOM 677 O LYS A 45 -12.556 -3.808 0.910 1.00 0.00 O ATOM 678 CB LYS A 45 -15.455 -3.666 0.195 1.00 0.00 C ATOM 679 CG LYS A 45 -16.676 -3.394 -0.686 1.00 0.00 C ATOM 680 CD LYS A 45 -16.376 -2.229 -1.631 1.00 0.00 C ATOM 681 CE LYS A 45 -17.674 -1.483 -1.952 1.00 0.00 C ATOM 682 NZ LYS A 45 -17.999 -0.549 -0.837 1.00 0.00 N ATOM 0 H LYS A 45 -13.870 -6.032 0.376 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.492 -3.972 -1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -15.712 -4.376 0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.137 -2.747 0.687 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.929 -4.285 -1.260 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -17.540 -3.159 -0.065 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -15.658 -1.550 -1.171 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.921 -2.600 -2.549 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -17.567 -0.929 -2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -18.488 -2.193 -2.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.833 0.018 -1.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.201 -1.095 0.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.190 0.082 -0.666 1.00 0.00 H new ATOM 696 N VAL A 46 -12.342 -2.867 -1.061 1.00 0.00 N ATOM 697 CA VAL A 46 -11.042 -2.241 -0.660 1.00 0.00 C ATOM 698 C VAL A 46 -11.330 -1.091 0.298 1.00 0.00 C ATOM 699 O VAL A 46 -10.497 -0.702 1.090 1.00 0.00 O ATOM 700 CB VAL A 46 -10.266 -1.707 -1.876 1.00 0.00 C ATOM 701 CG1 VAL A 46 -8.910 -2.414 -1.952 1.00 0.00 C ATOM 702 CG2 VAL A 46 -11.038 -1.960 -3.173 1.00 0.00 C ATOM 0 H VAL A 46 -12.651 -2.663 -2.011 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.426 -3.003 -0.181 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.130 -0.632 -1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.353 -2.041 -2.812 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.345 -2.217 -1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.065 -3.488 -2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.468 -1.573 -4.017 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.194 -3.031 -3.301 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -12.003 -1.456 -3.126 1.00 0.00 H new ATOM 712 N THR A 47 -12.513 -0.553 0.237 1.00 0.00 N ATOM 713 CA THR A 47 -12.871 0.563 1.155 1.00 0.00 C ATOM 714 C THR A 47 -13.130 0.004 2.559 1.00 0.00 C ATOM 715 O THR A 47 -13.463 0.731 3.474 1.00 0.00 O ATOM 716 CB THR A 47 -14.135 1.262 0.647 1.00 0.00 C ATOM 717 OG1 THR A 47 -15.081 0.284 0.241 1.00 0.00 O ATOM 718 CG2 THR A 47 -13.785 2.162 -0.539 1.00 0.00 C ATOM 0 H THR A 47 -13.249 -0.837 -0.409 1.00 0.00 H new ATOM 0 HA THR A 47 -12.050 1.279 1.191 1.00 0.00 H new ATOM 0 HB THR A 47 -14.560 1.871 1.445 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.899 0.380 0.772 1.00 0.00 H new ATOM 0 HG21 THR A 47 -14.687 2.658 -0.898 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.059 2.912 -0.225 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.359 1.558 -1.341 1.00 0.00 H new ATOM 726 N ASP A 48 -12.979 -1.284 2.738 1.00 0.00 N ATOM 727 CA ASP A 48 -13.217 -1.885 4.082 1.00 0.00 C ATOM 728 C ASP A 48 -11.873 -2.158 4.757 1.00 0.00 C ATOM 729 O ASP A 48 -11.730 -2.023 5.956 1.00 0.00 O ATOM 730 CB ASP A 48 -13.984 -3.202 3.929 1.00 0.00 C ATOM 731 CG ASP A 48 -15.453 -2.906 3.621 1.00 0.00 C ATOM 732 OD1 ASP A 48 -15.707 -2.225 2.641 1.00 0.00 O ATOM 733 OD2 ASP A 48 -16.299 -3.363 4.372 1.00 0.00 O ATOM 0 H ASP A 48 -12.701 -1.944 2.011 1.00 0.00 H new ATOM 0 HA ASP A 48 -13.802 -1.195 4.690 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -13.547 -3.798 3.128 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.905 -3.789 4.844 1.00 0.00 H new ATOM 738 N TYR A 49 -10.885 -2.538 3.994 1.00 0.00 N ATOM 739 CA TYR A 49 -9.550 -2.815 4.589 1.00 0.00 C ATOM 740 C TYR A 49 -8.721 -1.532 4.568 1.00 0.00 C ATOM 741 O TYR A 49 -7.857 -1.321 5.395 1.00 0.00 O ATOM 742 CB TYR A 49 -8.826 -3.883 3.771 1.00 0.00 C ATOM 743 CG TYR A 49 -9.556 -5.200 3.882 1.00 0.00 C ATOM 744 CD1 TYR A 49 -10.886 -5.301 3.459 1.00 0.00 C ATOM 745 CD2 TYR A 49 -8.906 -6.323 4.415 1.00 0.00 C ATOM 746 CE1 TYR A 49 -11.565 -6.517 3.567 1.00 0.00 C ATOM 747 CE2 TYR A 49 -9.587 -7.536 4.526 1.00 0.00 C ATOM 748 CZ TYR A 49 -10.917 -7.636 4.104 1.00 0.00 C ATOM 749 OH TYR A 49 -11.590 -8.834 4.219 1.00 0.00 O ATOM 0 H TYR A 49 -10.946 -2.668 2.984 1.00 0.00 H new ATOM 0 HA TYR A 49 -9.678 -3.168 5.612 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -8.769 -3.576 2.727 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -7.802 -3.994 4.127 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.388 -4.438 3.048 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.879 -6.249 4.739 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -12.590 -6.594 3.236 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.086 -8.399 4.939 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.019 -9.052 3.365 1.00 0.00 H new ATOM 759 N LEU A 50 -8.980 -0.675 3.619 1.00 0.00 N ATOM 760 CA LEU A 50 -8.210 0.596 3.523 1.00 0.00 C ATOM 761 C LEU A 50 -9.112 1.770 3.898 1.00 0.00 C ATOM 762 O LEU A 50 -10.276 1.811 3.552 1.00 0.00 O ATOM 763 CB LEU A 50 -7.708 0.773 2.085 1.00 0.00 C ATOM 764 CG LEU A 50 -6.173 0.771 2.034 1.00 0.00 C ATOM 765 CD1 LEU A 50 -5.650 2.160 2.393 1.00 0.00 C ATOM 766 CD2 LEU A 50 -5.609 -0.255 3.023 1.00 0.00 C ATOM 0 H LEU A 50 -9.695 -0.802 2.903 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.361 0.563 4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.097 -0.030 1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.088 1.709 1.676 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.854 0.505 1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.561 2.159 2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.036 2.889 1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.980 2.424 3.398 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.520 -0.245 2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.931 -0.002 4.033 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -5.975 -1.249 2.764 1.00 0.00 H new ATOM 778 N GLN A 51 -8.579 2.728 4.604 1.00 0.00 N ATOM 779 CA GLN A 51 -9.400 3.908 5.004 1.00 0.00 C ATOM 780 C GLN A 51 -8.498 5.135 5.137 1.00 0.00 C ATOM 781 O GLN A 51 -7.458 5.089 5.760 1.00 0.00 O ATOM 782 CB GLN A 51 -10.083 3.627 6.344 1.00 0.00 C ATOM 783 CG GLN A 51 -11.499 3.108 6.093 1.00 0.00 C ATOM 784 CD GLN A 51 -11.542 1.601 6.348 1.00 0.00 C ATOM 785 OE1 GLN A 51 -10.515 0.952 6.391 1.00 0.00 O ATOM 786 NE2 GLN A 51 -12.694 1.013 6.519 1.00 0.00 N ATOM 0 H GLN A 51 -7.610 2.746 4.922 1.00 0.00 H new ATOM 0 HA GLN A 51 -10.159 4.096 4.244 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.510 2.893 6.910 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -10.118 4.536 6.945 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -12.206 3.619 6.747 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -11.800 3.323 5.068 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -13.555 1.558 6.483 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -12.733 0.008 6.689 1.00 0.00 H new ATOM 795 N MET A 52 -8.891 6.235 4.555 1.00 0.00 N ATOM 796 CA MET A 52 -8.059 7.469 4.643 1.00 0.00 C ATOM 797 C MET A 52 -7.925 7.906 6.105 1.00 0.00 C ATOM 798 O MET A 52 -8.859 8.406 6.700 1.00 0.00 O ATOM 799 CB MET A 52 -8.728 8.582 3.839 1.00 0.00 C ATOM 800 CG MET A 52 -8.718 8.211 2.357 1.00 0.00 C ATOM 801 SD MET A 52 -10.417 8.133 1.743 1.00 0.00 S ATOM 802 CE MET A 52 -10.234 9.377 0.443 1.00 0.00 C ATOM 0 H MET A 52 -9.755 6.333 4.021 1.00 0.00 H new ATOM 0 HA MET A 52 -7.067 7.266 4.240 1.00 0.00 H new ATOM 0 HB2 MET A 52 -9.752 8.729 4.182 1.00 0.00 H new ATOM 0 HB3 MET A 52 -8.202 9.524 3.993 1.00 0.00 H new ATOM 0 HG2 MET A 52 -8.149 8.948 1.791 1.00 0.00 H new ATOM 0 HG3 MET A 52 -8.224 7.250 2.215 1.00 0.00 H new ATOM 0 HE1 MET A 52 -11.182 9.498 -0.081 1.00 0.00 H new ATOM 0 HE2 MET A 52 -9.942 10.328 0.888 1.00 0.00 H new ATOM 0 HE3 MET A 52 -9.468 9.056 -0.263 1.00 0.00 H new ATOM 812 N GLY A 53 -6.768 7.732 6.686 1.00 0.00 N ATOM 813 CA GLY A 53 -6.583 8.150 8.105 1.00 0.00 C ATOM 814 C GLY A 53 -5.907 7.033 8.904 1.00 0.00 C ATOM 815 O GLY A 53 -5.168 7.287 9.834 1.00 0.00 O ATOM 0 H GLY A 53 -5.947 7.321 6.242 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -5.977 9.055 8.149 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.549 8.391 8.549 1.00 0.00 H new ATOM 819 N GLN A 54 -6.154 5.800 8.559 1.00 0.00 N ATOM 820 CA GLN A 54 -5.524 4.680 9.313 1.00 0.00 C ATOM 821 C GLN A 54 -4.085 4.476 8.833 1.00 0.00 C ATOM 822 O GLN A 54 -3.704 4.926 7.772 1.00 0.00 O ATOM 823 CB GLN A 54 -6.324 3.395 9.087 1.00 0.00 C ATOM 824 CG GLN A 54 -7.799 3.649 9.406 1.00 0.00 C ATOM 825 CD GLN A 54 -8.435 2.362 9.936 1.00 0.00 C ATOM 826 OE1 GLN A 54 -9.145 2.384 10.922 1.00 0.00 O ATOM 827 NE2 GLN A 54 -8.210 1.235 9.320 1.00 0.00 N ATOM 0 H GLN A 54 -6.763 5.520 7.790 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.518 4.923 10.376 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.216 3.064 8.054 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.936 2.597 9.720 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.890 4.444 10.146 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.323 3.985 8.511 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.614 1.216 8.492 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.630 0.372 9.666 1.00 0.00 H new ATOM 836 N GLU A 55 -3.286 3.795 9.608 1.00 0.00 N ATOM 837 CA GLU A 55 -1.875 3.548 9.200 1.00 0.00 C ATOM 838 C GLU A 55 -1.611 2.043 9.237 1.00 0.00 C ATOM 839 O GLU A 55 -2.050 1.353 10.136 1.00 0.00 O ATOM 840 CB GLU A 55 -0.925 4.258 10.168 1.00 0.00 C ATOM 841 CG GLU A 55 -1.465 5.653 10.491 1.00 0.00 C ATOM 842 CD GLU A 55 -0.300 6.637 10.602 1.00 0.00 C ATOM 843 OE1 GLU A 55 0.834 6.188 10.564 1.00 0.00 O ATOM 844 OE2 GLU A 55 -0.559 7.822 10.725 1.00 0.00 O ATOM 0 H GLU A 55 -3.551 3.398 10.509 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.708 3.932 8.194 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.822 3.676 11.084 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.069 4.335 9.726 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.156 5.977 9.712 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.026 5.630 11.425 1.00 0.00 H new ATOM 851 N VAL A 56 -0.911 1.520 8.269 1.00 0.00 N ATOM 852 CA VAL A 56 -0.644 0.053 8.266 1.00 0.00 C ATOM 853 C VAL A 56 0.789 -0.218 7.797 1.00 0.00 C ATOM 854 O VAL A 56 1.294 0.466 6.929 1.00 0.00 O ATOM 855 CB VAL A 56 -1.630 -0.633 7.321 1.00 0.00 C ATOM 856 CG1 VAL A 56 -3.060 -0.271 7.723 1.00 0.00 C ATOM 857 CG2 VAL A 56 -1.370 -0.162 5.889 1.00 0.00 C ATOM 0 H VAL A 56 -0.515 2.039 7.486 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.766 -0.339 9.276 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.499 -1.713 7.381 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.763 -0.761 7.049 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.246 -0.603 8.744 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.192 0.809 7.663 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.072 -0.650 5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.502 0.918 5.832 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.351 -0.419 5.601 1.00 0.00 H new ATOM 867 N PRO A 57 1.400 -1.217 8.385 1.00 0.00 N ATOM 868 CA PRO A 57 2.777 -1.614 8.047 1.00 0.00 C ATOM 869 C PRO A 57 2.789 -2.438 6.758 1.00 0.00 C ATOM 870 O PRO A 57 1.872 -3.187 6.482 1.00 0.00 O ATOM 871 CB PRO A 57 3.207 -2.469 9.244 1.00 0.00 C ATOM 872 CG PRO A 57 1.905 -2.982 9.904 1.00 0.00 C ATOM 873 CD PRO A 57 0.776 -2.041 9.441 1.00 0.00 C ATOM 0 HA PRO A 57 3.440 -0.766 7.875 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.833 -3.301 8.922 1.00 0.00 H new ATOM 0 HB3 PRO A 57 3.795 -1.882 9.950 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.699 -4.010 9.606 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.993 -2.976 10.990 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.077 -2.601 9.057 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.409 -1.425 10.262 1.00 0.00 H new ATOM 881 N VAL A 58 3.815 -2.307 5.966 1.00 0.00 N ATOM 882 CA VAL A 58 3.874 -3.085 4.697 1.00 0.00 C ATOM 883 C VAL A 58 5.330 -3.415 4.355 1.00 0.00 C ATOM 884 O VAL A 58 6.239 -3.131 5.110 1.00 0.00 O ATOM 885 CB VAL A 58 3.240 -2.265 3.562 1.00 0.00 C ATOM 886 CG1 VAL A 58 2.085 -1.433 4.121 1.00 0.00 C ATOM 887 CG2 VAL A 58 4.282 -1.327 2.939 1.00 0.00 C ATOM 0 H VAL A 58 4.614 -1.697 6.141 1.00 0.00 H new ATOM 0 HA VAL A 58 3.321 -4.017 4.819 1.00 0.00 H new ATOM 0 HB VAL A 58 2.871 -2.947 2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.634 -0.851 3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.335 -2.096 4.554 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.461 -0.759 4.891 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.820 -0.752 2.136 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.661 -0.646 3.701 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.106 -1.915 2.536 1.00 0.00 H new ATOM 897 N LYS A 59 5.551 -4.006 3.214 1.00 0.00 N ATOM 898 CA LYS A 59 6.940 -4.351 2.807 1.00 0.00 C ATOM 899 C LYS A 59 7.244 -3.705 1.454 1.00 0.00 C ATOM 900 O LYS A 59 6.440 -3.741 0.543 1.00 0.00 O ATOM 901 CB LYS A 59 7.074 -5.870 2.692 1.00 0.00 C ATOM 902 CG LYS A 59 6.779 -6.511 4.051 1.00 0.00 C ATOM 903 CD LYS A 59 6.111 -7.872 3.841 1.00 0.00 C ATOM 904 CE LYS A 59 6.967 -8.722 2.901 1.00 0.00 C ATOM 905 NZ LYS A 59 7.363 -9.980 3.593 1.00 0.00 N ATOM 0 H LYS A 59 4.827 -4.265 2.544 1.00 0.00 H new ATOM 0 HA LYS A 59 7.644 -3.982 3.553 1.00 0.00 H new ATOM 0 HB2 LYS A 59 6.383 -6.251 1.940 1.00 0.00 H new ATOM 0 HB3 LYS A 59 8.079 -6.134 2.364 1.00 0.00 H new ATOM 0 HG2 LYS A 59 7.703 -6.631 4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 59 6.129 -5.862 4.637 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.989 -8.380 4.798 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.114 -7.739 3.421 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.410 -8.953 1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 59 7.854 -8.166 2.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.945 -10.559 2.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.910 -9.749 4.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.510 -10.512 3.862 1.00 0.00 H new ATOM 919 N VAL A 60 8.399 -3.116 1.316 1.00 0.00 N ATOM 920 CA VAL A 60 8.759 -2.468 0.024 1.00 0.00 C ATOM 921 C VAL A 60 8.916 -3.543 -1.052 1.00 0.00 C ATOM 922 O VAL A 60 9.979 -4.105 -1.233 1.00 0.00 O ATOM 923 CB VAL A 60 10.073 -1.703 0.196 1.00 0.00 C ATOM 924 CG1 VAL A 60 10.474 -1.060 -1.132 1.00 0.00 C ATOM 925 CG2 VAL A 60 9.884 -0.611 1.252 1.00 0.00 C ATOM 0 H VAL A 60 9.111 -3.055 2.044 1.00 0.00 H new ATOM 0 HA VAL A 60 7.975 -1.773 -0.277 1.00 0.00 H new ATOM 0 HB VAL A 60 10.856 -2.392 0.513 1.00 0.00 H new ATOM 0 HG11 VAL A 60 11.410 -0.516 -1.005 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.604 -1.835 -1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.694 -0.369 -1.452 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.817 -0.062 1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 60 9.101 0.075 0.930 1.00 0.00 H new ATOM 0 HG23 VAL A 60 9.599 -1.067 2.200 1.00 0.00 H new ATOM 935 N LEU A 61 7.862 -3.841 -1.761 1.00 0.00 N ATOM 936 CA LEU A 61 7.939 -4.882 -2.816 1.00 0.00 C ATOM 937 C LEU A 61 8.882 -4.422 -3.929 1.00 0.00 C ATOM 938 O LEU A 61 9.327 -5.212 -4.735 1.00 0.00 O ATOM 939 CB LEU A 61 6.543 -5.112 -3.391 1.00 0.00 C ATOM 940 CG LEU A 61 6.424 -6.555 -3.884 1.00 0.00 C ATOM 941 CD1 LEU A 61 6.235 -7.489 -2.686 1.00 0.00 C ATOM 942 CD2 LEU A 61 5.216 -6.679 -4.817 1.00 0.00 C ATOM 0 H LEU A 61 6.947 -3.404 -1.652 1.00 0.00 H new ATOM 0 HA LEU A 61 8.320 -5.809 -2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.788 -4.913 -2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.358 -4.420 -4.212 1.00 0.00 H new ATOM 0 HG LEU A 61 7.331 -6.829 -4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.150 -8.518 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.092 -7.403 -2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 61 5.328 -7.213 -2.149 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.132 -7.707 -5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.310 -6.404 -4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.346 -6.014 -5.671 1.00 0.00 H new ATOM 954 N GLU A 62 9.169 -3.142 -3.967 1.00 0.00 N ATOM 955 CA GLU A 62 10.078 -2.551 -5.009 1.00 0.00 C ATOM 956 C GLU A 62 9.238 -1.977 -6.149 1.00 0.00 C ATOM 957 O GLU A 62 8.025 -1.977 -6.099 1.00 0.00 O ATOM 958 CB GLU A 62 11.052 -3.594 -5.574 1.00 0.00 C ATOM 959 CG GLU A 62 11.825 -4.258 -4.432 1.00 0.00 C ATOM 960 CD GLU A 62 12.324 -5.631 -4.885 1.00 0.00 C ATOM 961 OE1 GLU A 62 12.865 -5.712 -5.975 1.00 0.00 O ATOM 962 OE2 GLU A 62 12.158 -6.577 -4.133 1.00 0.00 O ATOM 0 H GLU A 62 8.802 -2.462 -3.302 1.00 0.00 H new ATOM 0 HA GLU A 62 10.664 -1.765 -4.534 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.504 -4.347 -6.140 1.00 0.00 H new ATOM 0 HB3 GLU A 62 11.747 -3.118 -6.266 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.667 -3.632 -4.137 1.00 0.00 H new ATOM 0 HG3 GLU A 62 11.184 -4.363 -3.557 1.00 0.00 H new ATOM 969 N VAL A 63 9.872 -1.478 -7.175 1.00 0.00 N ATOM 970 CA VAL A 63 9.105 -0.896 -8.313 1.00 0.00 C ATOM 971 C VAL A 63 9.330 -1.737 -9.572 1.00 0.00 C ATOM 972 O VAL A 63 10.449 -2.036 -9.938 1.00 0.00 O ATOM 973 CB VAL A 63 9.581 0.536 -8.564 1.00 0.00 C ATOM 974 CG1 VAL A 63 8.893 1.094 -9.811 1.00 0.00 C ATOM 975 CG2 VAL A 63 9.231 1.408 -7.355 1.00 0.00 C ATOM 0 H VAL A 63 10.887 -1.448 -7.274 1.00 0.00 H new ATOM 0 HA VAL A 63 8.043 -0.892 -8.069 1.00 0.00 H new ATOM 0 HB VAL A 63 10.660 0.538 -8.715 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.233 2.114 -9.988 1.00 0.00 H new ATOM 0 HG12 VAL A 63 9.142 0.474 -10.672 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.813 1.092 -9.662 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.570 2.429 -7.532 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.151 1.405 -7.204 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.722 1.012 -6.466 1.00 0.00 H new ATOM 985 N ASP A 64 8.274 -2.120 -10.238 1.00 0.00 N ATOM 986 CA ASP A 64 8.428 -2.940 -11.473 1.00 0.00 C ATOM 987 C ASP A 64 7.824 -2.192 -12.665 1.00 0.00 C ATOM 988 O ASP A 64 8.260 -2.343 -13.789 1.00 0.00 O ATOM 989 CB ASP A 64 7.708 -4.276 -11.291 1.00 0.00 C ATOM 990 CG ASP A 64 6.384 -4.049 -10.557 1.00 0.00 C ATOM 991 OD1 ASP A 64 5.445 -3.604 -11.195 1.00 0.00 O ATOM 992 OD2 ASP A 64 6.333 -4.326 -9.370 1.00 0.00 O ATOM 0 H ASP A 64 7.312 -1.900 -9.980 1.00 0.00 H new ATOM 0 HA ASP A 64 9.487 -3.120 -11.658 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.523 -4.736 -12.262 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.336 -4.965 -10.726 1.00 0.00 H new ATOM 997 N ARG A 65 6.823 -1.387 -12.430 1.00 0.00 N ATOM 998 CA ARG A 65 6.196 -0.635 -13.555 1.00 0.00 C ATOM 999 C ARG A 65 7.211 0.352 -14.136 1.00 0.00 C ATOM 1000 O ARG A 65 7.823 0.097 -15.155 1.00 0.00 O ATOM 1001 CB ARG A 65 4.968 0.125 -13.042 1.00 0.00 C ATOM 1002 CG ARG A 65 3.783 -0.132 -13.973 1.00 0.00 C ATOM 1003 CD ARG A 65 3.533 1.108 -14.834 1.00 0.00 C ATOM 1004 NE ARG A 65 3.846 0.796 -16.257 1.00 0.00 N ATOM 1005 CZ ARG A 65 2.967 1.049 -17.187 1.00 0.00 C ATOM 1006 NH1 ARG A 65 2.312 2.178 -17.175 1.00 0.00 N ATOM 1007 NH2 ARG A 65 2.742 0.173 -18.127 1.00 0.00 N ATOM 0 H ARG A 65 6.414 -1.218 -11.511 1.00 0.00 H new ATOM 0 HA ARG A 65 5.886 -1.333 -14.333 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.725 -0.197 -12.029 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.182 1.193 -12.994 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.986 -0.994 -14.608 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.893 -0.368 -13.390 1.00 0.00 H new ATOM 0 HD2 ARG A 65 2.495 1.426 -14.740 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.152 1.935 -14.487 1.00 0.00 H new ATOM 0 HE ARG A 65 4.746 0.385 -16.504 1.00 0.00 H new ATOM 0 HH11 ARG A 65 2.488 2.862 -16.439 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.625 2.377 -17.902 1.00 0.00 H new ATOM 0 HH21 ARG A 65 3.253 -0.710 -18.135 1.00 0.00 H new ATOM 0 HH22 ARG A 65 2.055 0.371 -18.854 1.00 0.00 H new ATOM 1021 N GLN A 66 7.401 1.476 -13.498 1.00 0.00 N ATOM 1022 CA GLN A 66 8.381 2.473 -14.015 1.00 0.00 C ATOM 1023 C GLN A 66 8.944 3.276 -12.842 1.00 0.00 C ATOM 1024 O GLN A 66 10.135 3.492 -12.737 1.00 0.00 O ATOM 1025 CB GLN A 66 7.685 3.419 -14.995 1.00 0.00 C ATOM 1026 CG GLN A 66 8.720 4.018 -15.948 1.00 0.00 C ATOM 1027 CD GLN A 66 8.474 5.521 -16.089 1.00 0.00 C ATOM 1028 OE1 GLN A 66 7.397 5.940 -16.464 1.00 0.00 O ATOM 1029 NE2 GLN A 66 9.435 6.357 -15.801 1.00 0.00 N ATOM 0 H GLN A 66 6.919 1.746 -12.641 1.00 0.00 H new ATOM 0 HA GLN A 66 9.191 1.956 -14.530 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.924 2.880 -15.560 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.174 4.213 -14.450 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.726 3.837 -15.569 1.00 0.00 H new ATOM 0 HG3 GLN A 66 8.655 3.535 -16.923 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.339 6.006 -15.486 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.281 7.361 -15.891 1.00 0.00 H new ATOM 1038 N GLY A 67 8.092 3.720 -11.961 1.00 0.00 N ATOM 1039 CA GLY A 67 8.566 4.510 -10.791 1.00 0.00 C ATOM 1040 C GLY A 67 7.476 4.527 -9.719 1.00 0.00 C ATOM 1041 O GLY A 67 7.409 5.423 -8.901 1.00 0.00 O ATOM 0 H GLY A 67 7.084 3.569 -12.001 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.481 4.074 -10.389 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.806 5.528 -11.098 1.00 0.00 H new ATOM 1045 N ARG A 68 6.620 3.542 -9.717 1.00 0.00 N ATOM 1046 CA ARG A 68 5.531 3.500 -8.699 1.00 0.00 C ATOM 1047 C ARG A 68 5.933 2.556 -7.565 1.00 0.00 C ATOM 1048 O ARG A 68 5.918 1.350 -7.714 1.00 0.00 O ATOM 1049 CB ARG A 68 4.244 2.992 -9.350 1.00 0.00 C ATOM 1050 CG ARG A 68 4.475 1.590 -9.918 1.00 0.00 C ATOM 1051 CD ARG A 68 3.574 0.588 -9.192 1.00 0.00 C ATOM 1052 NE ARG A 68 3.659 -0.737 -9.868 1.00 0.00 N ATOM 1053 CZ ARG A 68 2.589 -1.279 -10.383 1.00 0.00 C ATOM 1054 NH1 ARG A 68 1.462 -1.248 -9.725 1.00 0.00 N ATOM 1055 NH2 ARG A 68 2.646 -1.851 -11.554 1.00 0.00 N ATOM 0 H ARG A 68 6.627 2.764 -10.376 1.00 0.00 H new ATOM 0 HA ARG A 68 5.366 4.501 -8.300 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.438 2.970 -8.617 1.00 0.00 H new ATOM 0 HB3 ARG A 68 3.934 3.671 -10.145 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.261 1.580 -10.987 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.521 1.306 -9.800 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.880 0.497 -8.150 1.00 0.00 H new ATOM 0 HD3 ARG A 68 2.543 0.943 -9.192 1.00 0.00 H new ATOM 0 HE ARG A 68 4.555 -1.221 -9.928 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.418 -0.801 -8.809 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.625 -1.671 -10.126 1.00 0.00 H new ATOM 0 HH21 ARG A 68 3.527 -1.875 -12.068 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.810 -2.274 -11.956 1.00 0.00 H new ATOM 1069 N ILE A 69 6.294 3.093 -6.431 1.00 0.00 N ATOM 1070 CA ILE A 69 6.698 2.224 -5.290 1.00 0.00 C ATOM 1071 C ILE A 69 5.669 1.107 -5.106 1.00 0.00 C ATOM 1072 O ILE A 69 4.505 1.357 -4.865 1.00 0.00 O ATOM 1073 CB ILE A 69 6.764 3.059 -4.010 1.00 0.00 C ATOM 1074 CG1 ILE A 69 7.776 4.193 -4.185 1.00 0.00 C ATOM 1075 CG2 ILE A 69 7.198 2.169 -2.845 1.00 0.00 C ATOM 1076 CD1 ILE A 69 7.720 5.115 -2.966 1.00 0.00 C ATOM 0 H ILE A 69 6.326 4.096 -6.246 1.00 0.00 H new ATOM 0 HA ILE A 69 7.676 1.791 -5.498 1.00 0.00 H new ATOM 0 HB ILE A 69 5.780 3.481 -3.804 1.00 0.00 H new ATOM 0 HG12 ILE A 69 8.780 3.785 -4.300 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.555 4.756 -5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.246 2.762 -1.932 1.00 0.00 H new ATOM 0 HG22 ILE A 69 6.477 1.362 -2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 69 8.181 1.748 -3.056 1.00 0.00 H new ATOM 0 HD11 ILE A 69 8.440 5.924 -3.088 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.718 5.533 -2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.962 4.546 -2.068 1.00 0.00 H new ATOM 1088 N ARG A 70 6.089 -0.126 -5.205 1.00 0.00 N ATOM 1089 CA ARG A 70 5.130 -1.252 -5.021 1.00 0.00 C ATOM 1090 C ARG A 70 5.169 -1.704 -3.561 1.00 0.00 C ATOM 1091 O ARG A 70 5.958 -2.549 -3.179 1.00 0.00 O ATOM 1092 CB ARG A 70 5.518 -2.421 -5.931 1.00 0.00 C ATOM 1093 CG ARG A 70 4.292 -3.300 -6.187 1.00 0.00 C ATOM 1094 CD ARG A 70 3.220 -2.484 -6.913 1.00 0.00 C ATOM 1095 NE ARG A 70 2.402 -3.388 -7.770 1.00 0.00 N ATOM 1096 CZ ARG A 70 1.112 -3.462 -7.593 1.00 0.00 C ATOM 1097 NH1 ARG A 70 0.437 -2.395 -7.261 1.00 0.00 N ATOM 1098 NH2 ARG A 70 0.495 -4.602 -7.750 1.00 0.00 N ATOM 0 H ARG A 70 7.051 -0.401 -5.405 1.00 0.00 H new ATOM 0 HA ARG A 70 4.124 -0.921 -5.280 1.00 0.00 H new ATOM 0 HB2 ARG A 70 5.912 -2.045 -6.875 1.00 0.00 H new ATOM 0 HB3 ARG A 70 6.310 -3.009 -5.467 1.00 0.00 H new ATOM 0 HG2 ARG A 70 4.572 -4.167 -6.786 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.899 -3.678 -5.243 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.582 -1.976 -6.189 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.687 -1.711 -7.523 1.00 0.00 H new ATOM 0 HE ARG A 70 2.851 -3.948 -8.495 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.919 -1.504 -7.140 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -0.572 -2.452 -7.122 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.022 -5.435 -8.011 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.514 -4.659 -7.611 1.00 0.00 H new ATOM 1112 N LEU A 71 4.321 -1.149 -2.742 1.00 0.00 N ATOM 1113 CA LEU A 71 4.308 -1.544 -1.308 1.00 0.00 C ATOM 1114 C LEU A 71 3.350 -2.721 -1.124 1.00 0.00 C ATOM 1115 O LEU A 71 2.388 -2.869 -1.850 1.00 0.00 O ATOM 1116 CB LEU A 71 3.841 -0.362 -0.458 1.00 0.00 C ATOM 1117 CG LEU A 71 5.007 0.607 -0.253 1.00 0.00 C ATOM 1118 CD1 LEU A 71 4.507 1.868 0.453 1.00 0.00 C ATOM 1119 CD2 LEU A 71 6.082 -0.065 0.604 1.00 0.00 C ATOM 0 H LEU A 71 3.637 -0.439 -3.004 1.00 0.00 H new ATOM 0 HA LEU A 71 5.311 -1.836 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.012 0.148 -0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.473 -0.715 0.505 1.00 0.00 H new ATOM 0 HG LEU A 71 5.429 0.877 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.339 2.558 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.741 2.347 -0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.085 1.600 1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.914 0.624 0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.659 -0.335 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.440 -0.963 0.101 1.00 0.00 H new ATOM 1131 N SER A 72 3.612 -3.566 -0.168 1.00 0.00 N ATOM 1132 CA SER A 72 2.722 -4.740 0.046 1.00 0.00 C ATOM 1133 C SER A 72 2.188 -4.739 1.480 1.00 0.00 C ATOM 1134 O SER A 72 2.907 -5.006 2.422 1.00 0.00 O ATOM 1135 CB SER A 72 3.520 -6.015 -0.200 1.00 0.00 C ATOM 1136 OG SER A 72 2.999 -6.683 -1.343 1.00 0.00 O ATOM 0 H SER A 72 4.402 -3.495 0.473 1.00 0.00 H new ATOM 0 HA SER A 72 1.879 -4.688 -0.643 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.572 -5.775 -0.353 1.00 0.00 H new ATOM 0 HB3 SER A 72 3.465 -6.666 0.672 1.00 0.00 H new ATOM 0 HG SER A 72 3.274 -7.623 -1.326 1.00 0.00 H new ATOM 1142 N ILE A 73 0.926 -4.442 1.653 1.00 0.00 N ATOM 1143 CA ILE A 73 0.347 -4.427 3.027 1.00 0.00 C ATOM 1144 C ILE A 73 0.747 -5.722 3.750 1.00 0.00 C ATOM 1145 O ILE A 73 0.777 -6.786 3.166 1.00 0.00 O ATOM 1146 CB ILE A 73 -1.190 -4.279 2.927 1.00 0.00 C ATOM 1147 CG1 ILE A 73 -1.604 -2.945 3.556 1.00 0.00 C ATOM 1148 CG2 ILE A 73 -1.916 -5.422 3.655 1.00 0.00 C ATOM 1149 CD1 ILE A 73 -3.126 -2.900 3.708 1.00 0.00 C ATOM 0 H ILE A 73 0.274 -4.210 0.904 1.00 0.00 H new ATOM 0 HA ILE A 73 0.731 -3.584 3.601 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.468 -4.314 1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -1.128 -2.827 4.529 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.266 -2.117 2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.994 -5.285 3.564 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.632 -6.375 3.209 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -1.638 -5.417 4.709 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -3.419 -1.950 4.156 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -3.593 -2.998 2.728 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.452 -3.719 4.349 1.00 0.00 H new ATOM 1161 N LYS A 74 1.059 -5.633 5.013 1.00 0.00 N ATOM 1162 CA LYS A 74 1.463 -6.852 5.771 1.00 0.00 C ATOM 1163 C LYS A 74 0.477 -7.987 5.488 1.00 0.00 C ATOM 1164 O LYS A 74 -0.682 -7.761 5.202 1.00 0.00 O ATOM 1165 CB LYS A 74 1.469 -6.542 7.270 1.00 0.00 C ATOM 1166 CG LYS A 74 2.912 -6.389 7.753 1.00 0.00 C ATOM 1167 CD LYS A 74 3.480 -7.764 8.103 1.00 0.00 C ATOM 1168 CE LYS A 74 4.801 -7.597 8.856 1.00 0.00 C ATOM 1169 NZ LYS A 74 5.228 -8.915 9.405 1.00 0.00 N ATOM 0 H LYS A 74 1.052 -4.768 5.554 1.00 0.00 H new ATOM 0 HA LYS A 74 2.462 -7.157 5.458 1.00 0.00 H new ATOM 0 HB2 LYS A 74 0.910 -5.627 7.465 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.973 -7.342 7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.518 -5.920 6.978 1.00 0.00 H new ATOM 0 HG3 LYS A 74 2.948 -5.736 8.625 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.768 -8.318 8.715 1.00 0.00 H new ATOM 0 HD3 LYS A 74 3.639 -8.345 7.195 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.567 -7.204 8.187 1.00 0.00 H new ATOM 0 HE3 LYS A 74 4.683 -6.875 9.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.126 -8.803 9.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.500 -9.272 10.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.356 -9.591 8.625 1.00 0.00 H new ATOM 1183 N GLU A 75 0.931 -9.210 5.568 1.00 0.00 N ATOM 1184 CA GLU A 75 0.023 -10.362 5.305 1.00 0.00 C ATOM 1185 C GLU A 75 -0.782 -10.098 4.031 1.00 0.00 C ATOM 1186 O GLU A 75 -1.962 -9.810 4.080 1.00 0.00 O ATOM 1187 CB GLU A 75 -0.931 -10.538 6.489 1.00 0.00 C ATOM 1188 CG GLU A 75 -0.656 -11.878 7.174 1.00 0.00 C ATOM 1189 CD GLU A 75 -1.173 -13.020 6.296 1.00 0.00 C ATOM 1190 OE1 GLU A 75 -1.832 -12.729 5.311 1.00 0.00 O ATOM 1191 OE2 GLU A 75 -0.903 -14.162 6.624 1.00 0.00 O ATOM 0 H GLU A 75 1.891 -9.460 5.804 1.00 0.00 H new ATOM 0 HA GLU A 75 0.613 -11.269 5.177 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.800 -9.721 7.199 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -1.965 -10.499 6.145 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.413 -11.996 7.349 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.143 -11.906 8.149 1.00 0.00 H new ATOM 1198 N ALA A 76 -0.155 -10.191 2.892 1.00 0.00 N ATOM 1199 CA ALA A 76 -0.886 -9.944 1.617 1.00 0.00 C ATOM 1200 C ALA A 76 -0.100 -10.549 0.452 1.00 0.00 C ATOM 1201 O ALA A 76 0.121 -9.843 -0.518 1.00 0.00 O ATOM 1202 CB ALA A 76 -1.038 -8.437 1.402 1.00 0.00 C ATOM 1203 OXT ALA A 76 0.266 -11.709 0.549 1.00 0.00 O ATOM 0 H ALA A 76 0.832 -10.427 2.788 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.872 -10.406 1.668 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -1.573 -8.255 0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.598 -8.006 2.232 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.052 -7.975 1.351 1.00 0.00 H new TER 1209 ALA A 76