USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 630 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 Single : A 0 MET CE :methyl 179:sc= 0 (180deg=-0.00317) USER MOD Single : A 0 MET N :NH3+ -118:sc= 0.244 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 165:sc= -0.115 (180deg=-0.5) USER MOD Single : A 6 GLN : amide:sc= -1.07 K(o=-1.1,f=-5.5!) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -4.55! C(o=-4.5!,f=-5.7!) USER MOD Single : A 13 THR OG1 : rot 74:sc= 1.15 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HD1:sc= -0.216 X(o=-0.22,f=-0.0082) USER MOD Single : A 23 ASN : amide:sc= 0.235 X(o=0.24,f=-0.012) USER MOD Single : A 25 TYR OH : rot 180:sc= 0.95 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0604 USER MOD Single : A 36 HIS : no HD1:sc= -0.436 X(o=-0.44,f=-0.24) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc=0.000109 USER MOD Single : A 44 GLN : amide:sc= -0.632 X(o=-0.63,f=-0.16) USER MOD Single : A 46 LYS NZ :NH3+ -161:sc= 0.0972 (180deg=0.0303) USER MOD Single : A 50 GLN : amide:sc= -0.0334 X(o=-0.033,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.203 K(o=-0.2,f=-2.1!) USER MOD Single : A 54 MET CE :methyl -155:sc= -0.22 (180deg=-0.835) USER MOD Single : A 55 LYS NZ :NH3+ -124:sc= 1.09 (180deg=-2.08!) USER MOD Single : A 57 LYS NZ :NH3+ 170:sc= -0.0251 (180deg=-0.172) USER MOD Single : A 58 LYS NZ :NH3+ 152:sc=-0.00958 (180deg=-0.241) USER MOD Single : A 60 ASN : amide:sc= -0.578 X(o=-0.58,f=-0.4) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -25.861 -15.397 6.342 1.00 19.09 N ATOM 2 CA MET A 0 -24.989 -15.481 5.156 1.00 17.99 C ATOM 3 C MET A 0 -24.520 -14.056 4.850 1.00 16.87 C ATOM 4 O MET A 0 -25.124 -13.132 5.389 1.00 17.35 O ATOM 5 CB MET A 0 -25.768 -16.110 3.987 1.00 18.91 C ATOM 6 CG MET A 0 -24.878 -16.635 2.851 1.00 18.92 C ATOM 7 SD MET A 0 -23.709 -17.947 3.299 1.00 19.00 S ATOM 8 CE MET A 0 -24.824 -19.344 3.578 1.00 20.26 C ATOM 0 H1 MET A 0 -25.444 -15.948 7.119 1.00 19.09 H new ATOM 0 H2 MET A 0 -25.955 -14.403 6.634 1.00 19.09 H new ATOM 0 H3 MET A 0 -26.800 -15.780 6.110 1.00 19.09 H new ATOM 0 HA MET A 0 -24.120 -16.117 5.326 1.00 17.99 H new ATOM 0 HB2 MET A 0 -26.374 -16.932 4.369 1.00 18.91 H new ATOM 0 HB3 MET A 0 -26.456 -15.368 3.582 1.00 18.91 H new ATOM 0 HG2 MET A 0 -25.522 -17.006 2.054 1.00 18.92 H new ATOM 0 HG3 MET A 0 -24.314 -15.797 2.441 1.00 18.92 H new ATOM 0 HE1 MET A 0 -24.242 -20.227 3.844 1.00 20.26 H new ATOM 0 HE2 MET A 0 -25.511 -19.105 4.390 1.00 20.26 H new ATOM 0 HE3 MET A 0 -25.392 -19.544 2.669 1.00 20.26 H new ATOM 18 N ARG A 1 -23.464 -13.863 4.051 1.00 15.66 N ATOM 19 CA ARG A 1 -23.001 -12.535 3.653 1.00 14.84 C ATOM 20 C ARG A 1 -22.066 -12.635 2.438 1.00 13.73 C ATOM 21 O ARG A 1 -22.533 -12.694 1.308 1.00 14.03 O ATOM 22 CB ARG A 1 -22.381 -11.769 4.844 1.00 14.78 C ATOM 23 CG ARG A 1 -21.581 -12.647 5.823 1.00 14.90 C ATOM 24 CD ARG A 1 -20.451 -11.882 6.538 1.00 14.79 C ATOM 25 NE ARG A 1 -20.859 -10.573 7.088 1.00 15.62 N ATOM 26 CZ ARG A 1 -21.680 -10.364 8.133 1.00 16.53 C ATOM 27 NH1 ARG A 1 -22.219 -11.402 8.777 1.00 16.69 N ATOM 28 NH2 ARG A 1 -21.953 -9.114 8.529 1.00 17.51 N ATOM 0 H ARG A 1 -22.908 -14.626 3.664 1.00 15.66 H new ATOM 0 HA ARG A 1 -23.860 -11.942 3.341 1.00 14.84 H new ATOM 0 HB2 ARG A 1 -21.725 -10.990 4.456 1.00 14.78 H new ATOM 0 HB3 ARG A 1 -23.179 -11.270 5.393 1.00 14.78 H new ATOM 0 HG2 ARG A 1 -22.260 -13.060 6.569 1.00 14.90 H new ATOM 0 HG3 ARG A 1 -21.154 -13.490 5.280 1.00 14.90 H new ATOM 0 HD2 ARG A 1 -20.066 -12.500 7.349 1.00 14.79 H new ATOM 0 HD3 ARG A 1 -19.631 -11.729 5.837 1.00 14.79 H new ATOM 0 HE ARG A 1 -20.480 -9.744 6.629 1.00 15.62 H new ATOM 0 HH11 ARG A 1 -22.008 -12.354 8.477 1.00 16.69 H new ATOM 0 HH12 ARG A 1 -22.841 -11.243 9.569 1.00 16.69 H new ATOM 0 HH21 ARG A 1 -21.539 -8.322 8.038 1.00 17.51 H new ATOM 0 HH22 ARG A 1 -22.575 -8.954 9.321 1.00 17.51 H new ATOM 42 N LYS A 2 -20.750 -12.649 2.673 1.00 12.78 N ATOM 43 CA LYS A 2 -19.708 -12.857 1.672 1.00 11.85 C ATOM 44 C LYS A 2 -19.854 -11.960 0.424 1.00 11.46 C ATOM 45 O LYS A 2 -20.075 -12.454 -0.683 1.00 11.50 O ATOM 46 CB LYS A 2 -19.566 -14.365 1.362 1.00 12.38 C ATOM 47 CG LYS A 2 -18.107 -14.851 1.450 1.00 12.26 C ATOM 48 CD LYS A 2 -17.118 -14.122 0.526 1.00 12.47 C ATOM 49 CE LYS A 2 -17.001 -14.728 -0.875 1.00 13.07 C ATOM 50 NZ LYS A 2 -18.314 -14.914 -1.527 1.00 13.79 N ATOM 0 H LYS A 2 -20.369 -12.509 3.609 1.00 12.78 H new ATOM 0 HA LYS A 2 -18.762 -12.524 2.099 1.00 11.85 H new ATOM 0 HB2 LYS A 2 -20.178 -14.935 2.061 1.00 12.38 H new ATOM 0 HB3 LYS A 2 -19.952 -14.565 0.363 1.00 12.38 H new ATOM 0 HG2 LYS A 2 -17.766 -14.742 2.479 1.00 12.26 H new ATOM 0 HG3 LYS A 2 -18.081 -15.915 1.217 1.00 12.26 H new ATOM 0 HD2 LYS A 2 -17.425 -13.080 0.434 1.00 12.47 H new ATOM 0 HD3 LYS A 2 -16.133 -14.124 0.993 1.00 12.47 H new ATOM 0 HE2 LYS A 2 -16.380 -14.082 -1.495 1.00 13.07 H new ATOM 0 HE3 LYS A 2 -16.493 -15.690 -0.809 1.00 13.07 H new ATOM 0 HZ1 LYS A 2 -18.176 -15.081 -2.544 1.00 13.79 H new ATOM 0 HZ2 LYS A 2 -18.799 -15.731 -1.104 1.00 13.79 H new ATOM 0 HZ3 LYS A 2 -18.893 -14.060 -1.392 1.00 13.79 H new ATOM 64 N ARG A 3 -19.525 -10.667 0.579 1.00 11.38 N ATOM 65 CA ARG A 3 -19.586 -9.670 -0.494 1.00 11.54 C ATOM 66 C ARG A 3 -18.516 -9.879 -1.573 1.00 10.68 C ATOM 67 O ARG A 3 -18.785 -9.623 -2.743 1.00 11.47 O ATOM 68 CB ARG A 3 -19.508 -8.233 0.059 1.00 12.17 C ATOM 69 CG ARG A 3 -20.811 -7.446 -0.157 1.00 13.62 C ATOM 70 CD ARG A 3 -22.042 -7.950 0.618 1.00 14.29 C ATOM 71 NE ARG A 3 -22.072 -7.447 2.003 1.00 14.84 N ATOM 72 CZ ARG A 3 -21.415 -7.976 3.045 1.00 14.66 C ATOM 73 NH1 ARG A 3 -20.761 -9.128 2.890 1.00 13.92 N ATOM 74 NH2 ARG A 3 -21.409 -7.353 4.228 1.00 15.52 N ATOM 0 H ARG A 3 -19.205 -10.283 1.468 1.00 11.38 H new ATOM 0 HA ARG A 3 -20.556 -9.812 -0.970 1.00 11.54 H new ATOM 0 HB2 ARG A 3 -19.282 -8.269 1.125 1.00 12.17 H new ATOM 0 HB3 ARG A 3 -18.685 -7.706 -0.424 1.00 12.17 H new ATOM 0 HG2 ARG A 3 -20.634 -6.406 0.119 1.00 13.62 H new ATOM 0 HG3 ARG A 3 -21.047 -7.458 -1.221 1.00 13.62 H new ATOM 0 HD2 ARG A 3 -22.949 -7.637 0.100 1.00 14.29 H new ATOM 0 HD3 ARG A 3 -22.041 -9.040 0.629 1.00 14.29 H new ATOM 0 HE ARG A 3 -22.644 -6.622 2.185 1.00 14.84 H new ATOM 0 HH11 ARG A 3 -20.764 -9.598 1.985 1.00 13.92 H new ATOM 0 HH12 ARG A 3 -20.258 -9.539 3.677 1.00 13.92 H new ATOM 0 HH21 ARG A 3 -21.906 -6.470 4.342 1.00 15.52 H new ATOM 0 HH22 ARG A 3 -20.907 -7.761 5.017 1.00 15.52 H new ATOM 88 N GLY A 4 -17.339 -10.396 -1.231 1.00 9.43 N ATOM 89 CA GLY A 4 -16.327 -10.699 -2.229 1.00 8.99 C ATOM 90 C GLY A 4 -15.169 -11.420 -1.556 1.00 7.54 C ATOM 91 O GLY A 4 -15.292 -11.801 -0.393 1.00 7.21 O ATOM 0 H GLY A 4 -17.066 -10.612 -0.272 1.00 9.43 H new ATOM 0 HA2 GLY A 4 -16.750 -11.321 -3.018 1.00 8.99 H new ATOM 0 HA3 GLY A 4 -15.976 -9.781 -2.700 1.00 8.99 H new ATOM 95 N ARG A 5 -14.079 -11.655 -2.294 1.00 7.28 N ATOM 96 CA ARG A 5 -12.932 -12.432 -1.830 1.00 6.60 C ATOM 97 C ARG A 5 -11.748 -11.498 -1.552 1.00 5.79 C ATOM 98 O ARG A 5 -10.610 -11.840 -1.859 1.00 6.24 O ATOM 99 CB ARG A 5 -12.558 -13.534 -2.850 1.00 7.83 C ATOM 100 CG ARG A 5 -13.751 -14.179 -3.576 1.00 9.04 C ATOM 101 CD ARG A 5 -14.012 -13.490 -4.928 1.00 10.22 C ATOM 102 NE ARG A 5 -15.427 -13.545 -5.339 1.00 11.40 N ATOM 103 CZ ARG A 5 -16.033 -14.571 -5.960 1.00 12.60 C ATOM 104 NH1 ARG A 5 -15.375 -15.717 -6.159 1.00 12.78 N ATOM 105 NH2 ARG A 5 -17.302 -14.443 -6.368 1.00 13.94 N ATOM 0 H ARG A 5 -13.970 -11.304 -3.245 1.00 7.28 H new ATOM 0 HA ARG A 5 -13.199 -12.933 -0.900 1.00 6.60 H new ATOM 0 HB2 ARG A 5 -11.887 -13.106 -3.595 1.00 7.83 H new ATOM 0 HB3 ARG A 5 -12.002 -14.315 -2.331 1.00 7.83 H new ATOM 0 HG2 ARG A 5 -13.554 -15.239 -3.736 1.00 9.04 H new ATOM 0 HG3 ARG A 5 -14.642 -14.111 -2.951 1.00 9.04 H new ATOM 0 HD2 ARG A 5 -13.698 -12.448 -4.865 1.00 10.22 H new ATOM 0 HD3 ARG A 5 -13.398 -13.962 -5.695 1.00 10.22 H new ATOM 0 HE ARG A 5 -16.000 -12.727 -5.132 1.00 11.40 H new ATOM 0 HH11 ARG A 5 -14.411 -15.814 -5.839 1.00 12.78 H new ATOM 0 HH12 ARG A 5 -15.837 -16.495 -6.631 1.00 12.78 H new ATOM 0 HH21 ARG A 5 -17.804 -13.570 -6.207 1.00 13.94 H new ATOM 0 HH22 ARG A 5 -17.767 -15.219 -6.840 1.00 13.94 H new ATOM 119 N GLN A 6 -12.018 -10.304 -1.013 1.00 5.19 N ATOM 120 CA GLN A 6 -11.014 -9.277 -0.769 1.00 4.56 C ATOM 121 C GLN A 6 -10.919 -9.022 0.735 1.00 3.04 C ATOM 122 O GLN A 6 -11.947 -8.951 1.402 1.00 3.12 O ATOM 123 CB GLN A 6 -11.377 -7.982 -1.516 1.00 5.57 C ATOM 124 CG GLN A 6 -11.742 -8.217 -2.993 1.00 7.07 C ATOM 125 CD GLN A 6 -13.201 -8.622 -3.200 1.00 8.53 C ATOM 126 OE1 GLN A 6 -14.050 -8.399 -2.345 1.00 9.09 O ATOM 127 NE2 GLN A 6 -13.520 -9.238 -4.337 1.00 9.62 N ATOM 0 H GLN A 6 -12.958 -10.025 -0.731 1.00 5.19 H new ATOM 0 HA GLN A 6 -10.047 -9.617 -1.140 1.00 4.56 H new ATOM 0 HB2 GLN A 6 -12.217 -7.503 -1.013 1.00 5.57 H new ATOM 0 HB3 GLN A 6 -10.536 -7.291 -1.462 1.00 5.57 H new ATOM 0 HG2 GLN A 6 -11.541 -7.307 -3.558 1.00 7.07 H new ATOM 0 HG3 GLN A 6 -11.095 -8.994 -3.400 1.00 7.07 H new ATOM 0 HE21 GLN A 6 -12.802 -9.417 -5.039 1.00 9.62 H new ATOM 0 HE22 GLN A 6 -14.482 -9.531 -4.506 1.00 9.62 H new ATOM 136 N THR A 7 -9.698 -8.869 1.261 1.00 2.49 N ATOM 137 CA THR A 7 -9.470 -8.495 2.660 1.00 1.82 C ATOM 138 C THR A 7 -9.371 -6.968 2.796 1.00 1.54 C ATOM 139 O THR A 7 -9.230 -6.442 3.897 1.00 1.58 O ATOM 140 CB THR A 7 -8.260 -9.294 3.209 1.00 2.98 C ATOM 141 OG1 THR A 7 -8.742 -10.369 3.988 1.00 3.32 O ATOM 142 CG2 THR A 7 -7.257 -8.542 4.086 1.00 4.16 C ATOM 0 H THR A 7 -8.839 -9.002 0.727 1.00 2.49 H new ATOM 0 HA THR A 7 -10.317 -8.770 3.289 1.00 1.82 H new ATOM 0 HB THR A 7 -7.716 -9.581 2.309 1.00 2.98 H new ATOM 0 HG1 THR A 7 -7.985 -10.883 4.340 1.00 3.32 H new ATOM 0 HG21 THR A 7 -6.465 -9.223 4.398 1.00 4.16 H new ATOM 0 HG22 THR A 7 -6.824 -7.718 3.519 1.00 4.16 H new ATOM 0 HG23 THR A 7 -7.766 -8.149 4.966 1.00 4.16 H new ATOM 150 N TYR A 8 -9.456 -6.247 1.674 1.00 1.47 N ATOM 151 CA TYR A 8 -9.279 -4.807 1.615 1.00 1.30 C ATOM 152 C TYR A 8 -10.644 -4.114 1.531 1.00 1.18 C ATOM 153 O TYR A 8 -11.670 -4.776 1.387 1.00 1.31 O ATOM 154 CB TYR A 8 -8.360 -4.481 0.428 1.00 1.26 C ATOM 155 CG TYR A 8 -7.191 -5.447 0.256 1.00 1.42 C ATOM 156 CD1 TYR A 8 -6.307 -5.708 1.324 1.00 1.63 C ATOM 157 CD2 TYR A 8 -7.070 -6.200 -0.929 1.00 2.86 C ATOM 158 CE1 TYR A 8 -5.256 -6.629 1.174 1.00 1.74 C ATOM 159 CE2 TYR A 8 -6.049 -7.159 -1.060 1.00 3.05 C ATOM 160 CZ TYR A 8 -5.117 -7.343 -0.026 1.00 1.88 C ATOM 161 OH TYR A 8 -4.056 -8.179 -0.210 1.00 2.19 O ATOM 0 H TYR A 8 -9.655 -6.665 0.765 1.00 1.47 H new ATOM 0 HA TYR A 8 -8.803 -4.430 2.520 1.00 1.30 H new ATOM 0 HB2 TYR A 8 -8.953 -4.480 -0.486 1.00 1.26 H new ATOM 0 HB3 TYR A 8 -7.967 -3.472 0.554 1.00 1.26 H new ATOM 0 HD1 TYR A 8 -6.439 -5.195 2.265 1.00 1.63 H new ATOM 0 HD2 TYR A 8 -7.764 -6.040 -1.741 1.00 2.86 H new ATOM 0 HE1 TYR A 8 -4.556 -6.787 1.981 1.00 1.74 H new ATOM 0 HE2 TYR A 8 -5.982 -7.755 -1.958 1.00 3.05 H new ATOM 0 HH TYR A 8 -4.116 -8.594 -1.096 1.00 2.19 H new ATOM 171 N THR A 9 -10.665 -2.782 1.629 1.00 1.16 N ATOM 172 CA THR A 9 -11.884 -1.977 1.571 1.00 1.05 C ATOM 173 C THR A 9 -11.684 -0.876 0.533 1.00 0.70 C ATOM 174 O THR A 9 -10.552 -0.606 0.141 1.00 0.61 O ATOM 175 CB THR A 9 -12.242 -1.480 2.989 1.00 1.31 C ATOM 176 OG1 THR A 9 -13.280 -2.291 3.496 1.00 3.10 O ATOM 177 CG2 THR A 9 -12.739 -0.037 3.087 1.00 1.72 C ATOM 0 H THR A 9 -9.820 -2.225 1.753 1.00 1.16 H new ATOM 0 HA THR A 9 -12.747 -2.557 1.244 1.00 1.05 H new ATOM 0 HB THR A 9 -11.307 -1.533 3.547 1.00 1.31 H new ATOM 0 HG1 THR A 9 -13.519 -1.990 4.398 1.00 3.10 H new ATOM 0 HG21 THR A 9 -12.960 0.202 4.127 1.00 1.72 H new ATOM 0 HG22 THR A 9 -11.969 0.639 2.715 1.00 1.72 H new ATOM 0 HG23 THR A 9 -13.643 0.078 2.489 1.00 1.72 H new ATOM 185 N ARG A 10 -12.773 -0.258 0.068 1.00 0.61 N ATOM 186 CA ARG A 10 -12.729 0.798 -0.933 1.00 0.65 C ATOM 187 C ARG A 10 -11.708 1.874 -0.554 1.00 0.67 C ATOM 188 O ARG A 10 -10.709 2.038 -1.246 1.00 0.67 O ATOM 189 CB ARG A 10 -14.137 1.381 -1.138 1.00 0.93 C ATOM 190 CG ARG A 10 -14.086 2.624 -2.035 1.00 2.16 C ATOM 191 CD ARG A 10 -15.479 3.074 -2.484 1.00 2.84 C ATOM 192 NE ARG A 10 -15.424 4.408 -3.110 1.00 3.37 N ATOM 193 CZ ARG A 10 -14.897 4.689 -4.314 1.00 3.83 C ATOM 194 NH1 ARG A 10 -14.459 3.699 -5.099 1.00 4.01 N ATOM 195 NH2 ARG A 10 -14.802 5.960 -4.721 1.00 4.68 N ATOM 0 H ARG A 10 -13.717 -0.483 0.382 1.00 0.61 H new ATOM 0 HA ARG A 10 -12.399 0.376 -1.882 1.00 0.65 H new ATOM 0 HB2 ARG A 10 -14.785 0.629 -1.588 1.00 0.93 H new ATOM 0 HB3 ARG A 10 -14.572 1.641 -0.173 1.00 0.93 H new ATOM 0 HG2 ARG A 10 -13.600 3.438 -1.497 1.00 2.16 H new ATOM 0 HG3 ARG A 10 -13.475 2.412 -2.912 1.00 2.16 H new ATOM 0 HD2 ARG A 10 -15.888 2.353 -3.191 1.00 2.84 H new ATOM 0 HD3 ARG A 10 -16.152 3.097 -1.627 1.00 2.84 H new ATOM 0 HE ARG A 10 -15.821 5.186 -2.583 1.00 3.37 H new ATOM 0 HH11 ARG A 10 -14.525 2.731 -4.784 1.00 4.01 H new ATOM 0 HH12 ARG A 10 -14.059 3.912 -6.013 1.00 4.01 H new ATOM 0 HH21 ARG A 10 -15.129 6.715 -4.118 1.00 4.68 H new ATOM 0 HH22 ARG A 10 -14.402 6.174 -5.635 1.00 4.68 H new ATOM 209 N TYR A 11 -11.981 2.609 0.529 1.00 0.75 N ATOM 210 CA TYR A 11 -11.161 3.723 1.002 1.00 0.87 C ATOM 211 C TYR A 11 -9.698 3.283 1.097 1.00 0.74 C ATOM 212 O TYR A 11 -8.830 3.802 0.402 1.00 0.69 O ATOM 213 CB TYR A 11 -11.742 4.199 2.344 1.00 1.04 C ATOM 214 CG TYR A 11 -10.990 5.322 3.032 1.00 1.24 C ATOM 215 CD1 TYR A 11 -10.979 6.610 2.462 1.00 1.39 C ATOM 216 CD2 TYR A 11 -10.387 5.110 4.287 1.00 3.10 C ATOM 217 CE1 TYR A 11 -10.295 7.658 3.101 1.00 1.37 C ATOM 218 CE2 TYR A 11 -9.718 6.164 4.932 1.00 3.29 C ATOM 219 CZ TYR A 11 -9.590 7.406 4.290 1.00 1.64 C ATOM 220 OH TYR A 11 -8.821 8.382 4.850 1.00 1.84 O ATOM 0 H TYR A 11 -12.799 2.439 1.114 1.00 0.75 H new ATOM 0 HA TYR A 11 -11.180 4.563 0.308 1.00 0.87 H new ATOM 0 HB2 TYR A 11 -12.769 4.524 2.178 1.00 1.04 H new ATOM 0 HB3 TYR A 11 -11.783 3.347 3.022 1.00 1.04 H new ATOM 0 HD1 TYR A 11 -11.497 6.792 1.532 1.00 1.39 H new ATOM 0 HD2 TYR A 11 -10.439 4.137 4.754 1.00 3.10 H new ATOM 0 HE1 TYR A 11 -10.311 8.653 2.680 1.00 1.37 H new ATOM 0 HE2 TYR A 11 -9.303 6.019 5.919 1.00 3.29 H new ATOM 0 HH TYR A 11 -8.404 8.041 5.669 1.00 1.84 H new ATOM 230 N GLN A 12 -9.466 2.224 1.874 1.00 0.70 N ATOM 231 CA GLN A 12 -8.185 1.559 1.995 1.00 0.68 C ATOM 232 C GLN A 12 -7.484 1.421 0.637 1.00 0.46 C ATOM 233 O GLN A 12 -6.363 1.898 0.457 1.00 0.45 O ATOM 234 CB GLN A 12 -8.434 0.209 2.673 1.00 0.79 C ATOM 235 CG GLN A 12 -7.170 -0.639 2.706 1.00 0.99 C ATOM 236 CD GLN A 12 -7.400 -1.984 3.379 1.00 1.66 C ATOM 237 OE1 GLN A 12 -6.903 -2.991 2.900 1.00 3.12 O ATOM 238 NE2 GLN A 12 -8.144 -2.037 4.481 1.00 1.52 N ATOM 0 H GLN A 12 -10.192 1.799 2.451 1.00 0.70 H new ATOM 0 HA GLN A 12 -7.502 2.152 2.603 1.00 0.68 H new ATOM 0 HB2 GLN A 12 -8.791 0.372 3.690 1.00 0.79 H new ATOM 0 HB3 GLN A 12 -9.220 -0.327 2.141 1.00 0.79 H new ATOM 0 HG2 GLN A 12 -6.815 -0.800 1.688 1.00 0.99 H new ATOM 0 HG3 GLN A 12 -6.385 -0.099 3.236 1.00 0.99 H new ATOM 0 HE21 GLN A 12 -8.550 -1.183 4.864 1.00 1.52 H new ATOM 0 HE22 GLN A 12 -8.309 -2.932 4.943 1.00 1.52 H new ATOM 247 N THR A 13 -8.140 0.751 -0.314 1.00 0.39 N ATOM 248 CA THR A 13 -7.562 0.542 -1.628 1.00 0.39 C ATOM 249 C THR A 13 -7.311 1.889 -2.314 1.00 0.47 C ATOM 250 O THR A 13 -6.258 2.057 -2.914 1.00 0.49 O ATOM 251 CB THR A 13 -8.405 -0.419 -2.481 1.00 0.49 C ATOM 252 OG1 THR A 13 -8.775 -1.553 -1.723 1.00 0.87 O ATOM 253 CG2 THR A 13 -7.587 -0.937 -3.668 1.00 0.63 C ATOM 0 H THR A 13 -9.069 0.348 -0.191 1.00 0.39 H new ATOM 0 HA THR A 13 -6.596 0.051 -1.508 1.00 0.39 H new ATOM 0 HB THR A 13 -9.283 0.132 -2.819 1.00 0.49 H new ATOM 0 HG1 THR A 13 -9.473 -1.304 -1.082 1.00 0.87 H new ATOM 0 HG21 THR A 13 -8.198 -1.616 -4.262 1.00 0.63 H new ATOM 0 HG22 THR A 13 -7.272 -0.097 -4.287 1.00 0.63 H new ATOM 0 HG23 THR A 13 -6.708 -1.467 -3.301 1.00 0.63 H new ATOM 261 N LEU A 14 -8.233 2.855 -2.214 1.00 0.61 N ATOM 262 CA LEU A 14 -8.046 4.196 -2.763 1.00 0.78 C ATOM 263 C LEU A 14 -6.733 4.806 -2.279 1.00 0.72 C ATOM 264 O LEU A 14 -5.885 5.152 -3.104 1.00 0.70 O ATOM 265 CB LEU A 14 -9.217 5.137 -2.421 1.00 0.98 C ATOM 266 CG LEU A 14 -10.178 5.359 -3.596 1.00 1.17 C ATOM 267 CD1 LEU A 14 -11.321 4.342 -3.549 1.00 1.21 C ATOM 268 CD2 LEU A 14 -10.741 6.783 -3.528 1.00 1.39 C ATOM 0 H LEU A 14 -9.131 2.724 -1.748 1.00 0.61 H new ATOM 0 HA LEU A 14 -8.013 4.086 -3.847 1.00 0.78 H new ATOM 0 HB2 LEU A 14 -9.772 4.724 -1.579 1.00 0.98 H new ATOM 0 HB3 LEU A 14 -8.819 6.099 -2.099 1.00 0.98 H new ATOM 0 HG LEU A 14 -9.635 5.226 -4.532 1.00 1.17 H new ATOM 0 HD11 LEU A 14 -11.994 4.512 -4.389 1.00 1.21 H new ATOM 0 HD12 LEU A 14 -10.913 3.333 -3.610 1.00 1.21 H new ATOM 0 HD13 LEU A 14 -11.871 4.455 -2.615 1.00 1.21 H new ATOM 0 HD21 LEU A 14 -11.424 6.944 -4.362 1.00 1.39 H new ATOM 0 HD22 LEU A 14 -11.277 6.918 -2.588 1.00 1.39 H new ATOM 0 HD23 LEU A 14 -9.923 7.501 -3.586 1.00 1.39 H new ATOM 280 N GLU A 15 -6.553 4.945 -0.961 1.00 0.72 N ATOM 281 CA GLU A 15 -5.309 5.497 -0.447 1.00 0.69 C ATOM 282 C GLU A 15 -4.131 4.664 -0.936 1.00 0.54 C ATOM 283 O GLU A 15 -3.102 5.229 -1.295 1.00 0.61 O ATOM 284 CB GLU A 15 -5.303 5.608 1.082 1.00 0.81 C ATOM 285 CG GLU A 15 -6.036 6.867 1.565 1.00 1.24 C ATOM 286 CD GLU A 15 -7.535 6.756 1.378 1.00 1.36 C ATOM 287 OE1 GLU A 15 -8.103 5.897 2.079 1.00 2.78 O ATOM 288 OE2 GLU A 15 -8.074 7.531 0.558 1.00 2.21 O ATOM 0 H GLU A 15 -7.239 4.688 -0.251 1.00 0.72 H new ATOM 0 HA GLU A 15 -5.216 6.513 -0.831 1.00 0.69 H new ATOM 0 HB2 GLU A 15 -5.775 4.725 1.512 1.00 0.81 H new ATOM 0 HB3 GLU A 15 -4.274 5.626 1.441 1.00 0.81 H new ATOM 0 HG2 GLU A 15 -5.813 7.035 2.619 1.00 1.24 H new ATOM 0 HG3 GLU A 15 -5.665 7.735 1.019 1.00 1.24 H new ATOM 295 N LEU A 16 -4.261 3.334 -0.961 1.00 0.43 N ATOM 296 CA LEU A 16 -3.120 2.487 -1.258 1.00 0.41 C ATOM 297 C LEU A 16 -2.717 2.726 -2.716 1.00 0.38 C ATOM 298 O LEU A 16 -1.535 2.768 -3.055 1.00 0.40 O ATOM 299 CB LEU A 16 -3.490 1.024 -0.982 1.00 0.41 C ATOM 300 CG LEU A 16 -3.238 0.488 0.440 1.00 0.63 C ATOM 301 CD1 LEU A 16 -3.701 -0.970 0.536 1.00 0.72 C ATOM 302 CD2 LEU A 16 -1.793 0.584 0.895 1.00 0.73 C ATOM 0 H LEU A 16 -5.132 2.835 -0.781 1.00 0.43 H new ATOM 0 HA LEU A 16 -2.266 2.726 -0.624 1.00 0.41 H new ATOM 0 HB2 LEU A 16 -4.548 0.895 -1.208 1.00 0.41 H new ATOM 0 HB3 LEU A 16 -2.936 0.398 -1.682 1.00 0.41 H new ATOM 0 HG LEU A 16 -3.815 1.129 1.106 1.00 0.63 H new ATOM 0 HD11 LEU A 16 -3.520 -1.344 1.544 1.00 0.72 H new ATOM 0 HD12 LEU A 16 -4.766 -1.029 0.313 1.00 0.72 H new ATOM 0 HD13 LEU A 16 -3.146 -1.576 -0.180 1.00 0.72 H new ATOM 0 HD21 LEU A 16 -1.703 0.186 1.906 1.00 0.73 H new ATOM 0 HD22 LEU A 16 -1.160 0.008 0.220 1.00 0.73 H new ATOM 0 HD23 LEU A 16 -1.477 1.627 0.887 1.00 0.73 H new ATOM 314 N GLU A 17 -3.717 2.909 -3.574 1.00 0.44 N ATOM 315 CA GLU A 17 -3.576 3.178 -4.986 1.00 0.47 C ATOM 316 C GLU A 17 -2.947 4.556 -5.209 1.00 0.48 C ATOM 317 O GLU A 17 -1.913 4.640 -5.869 1.00 0.51 O ATOM 318 CB GLU A 17 -4.950 2.962 -5.632 1.00 0.62 C ATOM 319 CG GLU A 17 -4.847 2.526 -7.088 1.00 1.08 C ATOM 320 CD GLU A 17 -4.404 3.676 -7.972 1.00 2.69 C ATOM 321 OE1 GLU A 17 -5.056 4.739 -7.933 1.00 3.97 O ATOM 322 OE2 GLU A 17 -3.388 3.449 -8.658 1.00 3.56 O ATOM 0 H GLU A 17 -4.693 2.870 -3.280 1.00 0.44 H new ATOM 0 HA GLU A 17 -2.882 2.495 -5.476 1.00 0.47 H new ATOM 0 HB2 GLU A 17 -5.499 2.208 -5.068 1.00 0.62 H new ATOM 0 HB3 GLU A 17 -5.525 3.886 -5.572 1.00 0.62 H new ATOM 0 HG2 GLU A 17 -4.138 1.702 -7.175 1.00 1.08 H new ATOM 0 HG3 GLU A 17 -5.813 2.153 -7.428 1.00 1.08 H new ATOM 329 N LYS A 18 -3.500 5.614 -4.600 1.00 0.51 N ATOM 330 CA LYS A 18 -2.867 6.935 -4.600 1.00 0.61 C ATOM 331 C LYS A 18 -1.398 6.803 -4.200 1.00 0.50 C ATOM 332 O LYS A 18 -0.505 7.335 -4.857 1.00 0.55 O ATOM 333 CB LYS A 18 -3.603 7.908 -3.658 1.00 0.85 C ATOM 334 CG LYS A 18 -2.765 9.175 -3.388 1.00 1.27 C ATOM 335 CD LYS A 18 -3.567 10.321 -2.754 1.00 2.20 C ATOM 336 CE LYS A 18 -3.814 10.091 -1.254 1.00 3.70 C ATOM 337 NZ LYS A 18 -4.335 11.303 -0.585 1.00 4.66 N ATOM 0 H LYS A 18 -4.388 5.577 -4.100 1.00 0.51 H new ATOM 0 HA LYS A 18 -2.927 7.347 -5.607 1.00 0.61 H new ATOM 0 HB2 LYS A 18 -4.559 8.190 -4.099 1.00 0.85 H new ATOM 0 HB3 LYS A 18 -3.822 7.407 -2.715 1.00 0.85 H new ATOM 0 HG2 LYS A 18 -1.934 8.917 -2.731 1.00 1.27 H new ATOM 0 HG3 LYS A 18 -2.333 9.521 -4.327 1.00 1.27 H new ATOM 0 HD2 LYS A 18 -3.030 11.259 -2.893 1.00 2.20 H new ATOM 0 HD3 LYS A 18 -4.523 10.422 -3.268 1.00 2.20 H new ATOM 0 HE2 LYS A 18 -4.523 9.273 -1.125 1.00 3.70 H new ATOM 0 HE3 LYS A 18 -2.883 9.785 -0.776 1.00 3.70 H new ATOM 0 HZ1 LYS A 18 -4.487 11.104 0.424 1.00 4.66 H new ATOM 0 HZ2 LYS A 18 -3.648 12.077 -0.685 1.00 4.66 H new ATOM 0 HZ3 LYS A 18 -5.236 11.581 -1.023 1.00 4.66 H new ATOM 351 N GLU A 19 -1.155 6.110 -3.093 1.00 0.49 N ATOM 352 CA GLU A 19 0.168 5.991 -2.527 1.00 0.53 C ATOM 353 C GLU A 19 1.101 5.256 -3.498 1.00 0.48 C ATOM 354 O GLU A 19 2.223 5.694 -3.732 1.00 0.58 O ATOM 355 CB GLU A 19 0.050 5.336 -1.151 1.00 0.67 C ATOM 356 CG GLU A 19 1.349 5.427 -0.354 1.00 1.68 C ATOM 357 CD GLU A 19 1.741 6.826 0.091 1.00 2.30 C ATOM 358 OE1 GLU A 19 0.998 7.800 -0.136 1.00 2.98 O ATOM 359 OE2 GLU A 19 2.839 6.932 0.674 1.00 3.44 O ATOM 0 H GLU A 19 -1.877 5.617 -2.568 1.00 0.49 H new ATOM 0 HA GLU A 19 0.625 6.970 -2.379 1.00 0.53 H new ATOM 0 HB2 GLU A 19 -0.752 5.815 -0.590 1.00 0.67 H new ATOM 0 HB3 GLU A 19 -0.227 4.289 -1.272 1.00 0.67 H new ATOM 0 HG2 GLU A 19 1.259 4.794 0.529 1.00 1.68 H new ATOM 0 HG3 GLU A 19 2.157 5.016 -0.959 1.00 1.68 H new ATOM 366 N PHE A 20 0.637 4.170 -4.119 1.00 0.38 N ATOM 367 CA PHE A 20 1.392 3.480 -5.160 1.00 0.36 C ATOM 368 C PHE A 20 1.665 4.390 -6.363 1.00 0.38 C ATOM 369 O PHE A 20 2.750 4.360 -6.946 1.00 0.44 O ATOM 370 CB PHE A 20 0.657 2.211 -5.587 1.00 0.43 C ATOM 371 CG PHE A 20 1.322 1.492 -6.745 1.00 0.67 C ATOM 372 CD1 PHE A 20 2.577 0.883 -6.566 1.00 1.33 C ATOM 373 CD2 PHE A 20 0.749 1.541 -8.029 1.00 2.00 C ATOM 374 CE1 PHE A 20 3.214 0.258 -7.651 1.00 1.35 C ATOM 375 CE2 PHE A 20 1.358 0.864 -9.100 1.00 2.26 C ATOM 376 CZ PHE A 20 2.576 0.193 -8.901 1.00 1.27 C ATOM 0 H PHE A 20 -0.269 3.748 -3.914 1.00 0.38 H new ATOM 0 HA PHE A 20 2.361 3.202 -4.745 1.00 0.36 H new ATOM 0 HB2 PHE A 20 0.593 1.533 -4.736 1.00 0.43 H new ATOM 0 HB3 PHE A 20 -0.365 2.468 -5.867 1.00 0.43 H new ATOM 0 HD1 PHE A 20 3.051 0.896 -5.595 1.00 1.33 H new ATOM 0 HD2 PHE A 20 -0.161 2.100 -8.192 1.00 2.00 H new ATOM 0 HE1 PHE A 20 4.196 -0.173 -7.524 1.00 1.35 H new ATOM 0 HE2 PHE A 20 0.891 0.860 -10.074 1.00 2.26 H new ATOM 0 HZ PHE A 20 3.021 -0.372 -9.707 1.00 1.27 H new ATOM 386 N HIS A 21 0.676 5.197 -6.752 1.00 0.49 N ATOM 387 CA HIS A 21 0.856 6.239 -7.753 1.00 0.71 C ATOM 388 C HIS A 21 1.869 7.284 -7.275 1.00 0.77 C ATOM 389 O HIS A 21 2.543 7.890 -8.106 1.00 0.92 O ATOM 390 CB HIS A 21 -0.503 6.846 -8.146 1.00 0.89 C ATOM 391 CG HIS A 21 -1.169 6.151 -9.312 1.00 1.44 C ATOM 392 ND1 HIS A 21 -1.960 6.759 -10.261 1.00 2.40 N ATOM 393 CD2 HIS A 21 -0.954 4.863 -9.730 1.00 3.07 C ATOM 394 CE1 HIS A 21 -2.197 5.859 -11.231 1.00 3.34 C ATOM 395 NE2 HIS A 21 -1.578 4.695 -10.970 1.00 4.00 N ATOM 0 H HIS A 21 -0.272 5.143 -6.379 1.00 0.49 H new ATOM 0 HA HIS A 21 1.276 5.800 -8.658 1.00 0.71 H new ATOM 0 HB2 HIS A 21 -1.170 6.809 -7.284 1.00 0.89 H new ATOM 0 HB3 HIS A 21 -0.362 7.898 -8.395 1.00 0.89 H new ATOM 0 HD2 HIS A 21 -0.398 4.108 -9.194 1.00 3.07 H new ATOM 0 HE1 HIS A 21 -2.804 6.046 -12.104 1.00 3.34 H new ATOM 0 HE2 HIS A 21 -1.566 3.860 -11.556 1.00 4.00 H new ATOM 403 N PHE A 22 2.026 7.464 -5.959 1.00 0.74 N ATOM 404 CA PHE A 22 2.975 8.423 -5.412 1.00 0.88 C ATOM 405 C PHE A 22 4.376 7.818 -5.389 1.00 0.74 C ATOM 406 O PHE A 22 5.358 8.525 -5.612 1.00 1.03 O ATOM 407 CB PHE A 22 2.527 8.897 -4.022 1.00 1.05 C ATOM 408 CG PHE A 22 3.647 9.497 -3.201 1.00 1.18 C ATOM 409 CD1 PHE A 22 4.208 10.717 -3.627 1.00 1.49 C ATOM 410 CD2 PHE A 22 4.206 8.809 -2.114 1.00 2.99 C ATOM 411 CE1 PHE A 22 5.363 11.218 -3.006 1.00 1.62 C ATOM 412 CE2 PHE A 22 5.381 9.295 -1.514 1.00 3.18 C ATOM 413 CZ PHE A 22 5.956 10.501 -1.954 1.00 1.74 C ATOM 0 H PHE A 22 1.500 6.950 -5.252 1.00 0.74 H new ATOM 0 HA PHE A 22 3.005 9.303 -6.054 1.00 0.88 H new ATOM 0 HB2 PHE A 22 1.734 9.636 -4.137 1.00 1.05 H new ATOM 0 HB3 PHE A 22 2.100 8.054 -3.479 1.00 1.05 H new ATOM 0 HD1 PHE A 22 3.748 11.268 -4.434 1.00 1.49 H new ATOM 0 HD2 PHE A 22 3.737 7.911 -1.740 1.00 2.99 H new ATOM 0 HE1 PHE A 22 5.794 12.152 -3.336 1.00 1.62 H new ATOM 0 HE2 PHE A 22 5.844 8.740 -0.712 1.00 3.18 H new ATOM 0 HZ PHE A 22 6.853 10.875 -1.483 1.00 1.74 H new ATOM 423 N ASN A 23 4.487 6.521 -5.105 1.00 0.64 N ATOM 424 CA ASN A 23 5.772 5.861 -4.964 1.00 0.76 C ATOM 425 C ASN A 23 5.595 4.352 -5.090 1.00 0.75 C ATOM 426 O ASN A 23 4.704 3.780 -4.472 1.00 0.72 O ATOM 427 CB ASN A 23 6.368 6.206 -3.593 1.00 0.97 C ATOM 428 CG ASN A 23 7.655 7.011 -3.704 1.00 2.20 C ATOM 429 OD1 ASN A 23 8.746 6.462 -3.592 1.00 3.43 O ATOM 430 ND2 ASN A 23 7.543 8.315 -3.931 1.00 2.73 N ATOM 0 H ASN A 23 3.686 5.904 -4.967 1.00 0.64 H new ATOM 0 HA ASN A 23 6.446 6.202 -5.749 1.00 0.76 H new ATOM 0 HB2 ASN A 23 5.638 6.772 -3.015 1.00 0.97 H new ATOM 0 HB3 ASN A 23 6.565 5.285 -3.044 1.00 0.97 H new ATOM 0 HD21 ASN A 23 8.380 8.891 -4.017 1.00 2.73 H new ATOM 0 HD22 ASN A 23 6.620 8.740 -4.019 1.00 2.73 H new ATOM 437 N ARG A 24 6.475 3.683 -5.842 1.00 0.88 N ATOM 438 CA ARG A 24 6.406 2.234 -6.032 1.00 1.01 C ATOM 439 C ARG A 24 7.067 1.453 -4.879 1.00 1.23 C ATOM 440 O ARG A 24 7.159 0.220 -4.934 1.00 1.39 O ATOM 441 CB ARG A 24 6.994 1.864 -7.403 1.00 1.09 C ATOM 442 CG ARG A 24 6.331 2.680 -8.526 1.00 1.31 C ATOM 443 CD ARG A 24 5.927 1.807 -9.724 1.00 1.73 C ATOM 444 NE ARG A 24 5.312 2.602 -10.801 1.00 2.44 N ATOM 445 CZ ARG A 24 4.159 3.291 -10.723 1.00 4.10 C ATOM 446 NH1 ARG A 24 3.376 3.191 -9.643 1.00 5.10 N ATOM 447 NH2 ARG A 24 3.798 4.089 -11.733 1.00 5.40 N ATOM 0 H ARG A 24 7.250 4.129 -6.333 1.00 0.88 H new ATOM 0 HA ARG A 24 5.357 1.937 -6.015 1.00 1.01 H new ATOM 0 HB2 ARG A 24 8.069 2.046 -7.403 1.00 1.09 H new ATOM 0 HB3 ARG A 24 6.851 0.800 -7.589 1.00 1.09 H new ATOM 0 HG2 ARG A 24 5.448 3.184 -8.133 1.00 1.31 H new ATOM 0 HG3 ARG A 24 7.018 3.457 -8.861 1.00 1.31 H new ATOM 0 HD2 ARG A 24 6.806 1.291 -10.110 1.00 1.73 H new ATOM 0 HD3 ARG A 24 5.227 1.040 -9.394 1.00 1.73 H new ATOM 0 HE ARG A 24 5.808 2.633 -11.692 1.00 2.44 H new ATOM 0 HH11 ARG A 24 3.651 2.588 -8.868 1.00 5.10 H new ATOM 0 HH12 ARG A 24 2.504 3.718 -9.595 1.00 5.10 H new ATOM 0 HH21 ARG A 24 4.395 4.172 -12.556 1.00 5.40 H new ATOM 0 HH22 ARG A 24 2.925 4.614 -11.681 1.00 5.40 H new ATOM 461 N TYR A 25 7.521 2.157 -3.836 1.00 1.28 N ATOM 462 CA TYR A 25 8.149 1.602 -2.649 1.00 1.26 C ATOM 463 C TYR A 25 7.853 2.515 -1.461 1.00 1.04 C ATOM 464 O TYR A 25 7.676 3.712 -1.645 1.00 1.01 O ATOM 465 CB TYR A 25 9.667 1.493 -2.863 1.00 1.48 C ATOM 466 CG TYR A 25 10.149 0.113 -3.249 1.00 1.75 C ATOM 467 CD1 TYR A 25 9.990 -0.949 -2.341 1.00 2.81 C ATOM 468 CD2 TYR A 25 10.846 -0.096 -4.454 1.00 2.00 C ATOM 469 CE1 TYR A 25 10.511 -2.217 -2.642 1.00 3.19 C ATOM 470 CE2 TYR A 25 11.403 -1.358 -4.730 1.00 2.09 C ATOM 471 CZ TYR A 25 11.289 -2.401 -3.796 1.00 2.38 C ATOM 472 OH TYR A 25 11.562 -3.672 -4.200 1.00 2.83 O ATOM 0 H TYR A 25 7.454 3.174 -3.803 1.00 1.28 H new ATOM 0 HA TYR A 25 7.752 0.606 -2.454 1.00 1.26 H new ATOM 0 HB2 TYR A 25 9.963 2.198 -3.640 1.00 1.48 H new ATOM 0 HB3 TYR A 25 10.173 1.798 -1.947 1.00 1.48 H new ATOM 0 HD1 TYR A 25 9.466 -0.789 -1.410 1.00 2.81 H new ATOM 0 HD2 TYR A 25 10.953 0.710 -5.165 1.00 2.00 H new ATOM 0 HE1 TYR A 25 10.313 -3.052 -1.986 1.00 3.19 H new ATOM 0 HE2 TYR A 25 11.920 -1.526 -5.663 1.00 2.09 H new ATOM 0 HH TYR A 25 12.109 -3.647 -5.013 1.00 2.83 H new ATOM 482 N LEU A 26 7.812 1.945 -0.252 1.00 0.94 N ATOM 483 CA LEU A 26 7.642 2.660 1.001 1.00 0.78 C ATOM 484 C LEU A 26 8.443 1.940 2.078 1.00 1.06 C ATOM 485 O LEU A 26 8.446 0.701 2.119 1.00 1.53 O ATOM 486 CB LEU A 26 6.182 2.643 1.453 1.00 0.68 C ATOM 487 CG LEU A 26 5.193 3.416 0.579 1.00 0.76 C ATOM 488 CD1 LEU A 26 3.819 3.198 1.215 1.00 1.04 C ATOM 489 CD2 LEU A 26 5.482 4.921 0.514 1.00 0.92 C ATOM 0 H LEU A 26 7.900 0.937 -0.123 1.00 0.94 H new ATOM 0 HA LEU A 26 7.971 3.689 0.853 1.00 0.78 H new ATOM 0 HB2 LEU A 26 5.853 1.605 1.507 1.00 0.68 H new ATOM 0 HB3 LEU A 26 6.132 3.046 2.465 1.00 0.68 H new ATOM 0 HG LEU A 26 5.262 3.054 -0.447 1.00 0.76 H new ATOM 0 HD11 LEU A 26 3.062 3.727 0.636 1.00 1.04 H new ATOM 0 HD12 LEU A 26 3.588 2.133 1.227 1.00 1.04 H new ATOM 0 HD13 LEU A 26 3.826 3.579 2.236 1.00 1.04 H new ATOM 0 HD21 LEU A 26 4.742 5.406 -0.123 1.00 0.92 H new ATOM 0 HD22 LEU A 26 5.432 5.345 1.517 1.00 0.92 H new ATOM 0 HD23 LEU A 26 6.478 5.083 0.101 1.00 0.92 H new ATOM 501 N THR A 27 9.069 2.729 2.950 1.00 1.02 N ATOM 502 CA THR A 27 9.871 2.306 4.079 1.00 1.21 C ATOM 503 C THR A 27 8.991 2.136 5.322 1.00 0.96 C ATOM 504 O THR A 27 7.828 2.540 5.326 1.00 0.70 O ATOM 505 CB THR A 27 10.921 3.401 4.298 1.00 1.45 C ATOM 506 OG1 THR A 27 10.238 4.634 4.437 1.00 1.43 O ATOM 507 CG2 THR A 27 11.862 3.489 3.092 1.00 1.61 C ATOM 0 H THR A 27 9.021 3.745 2.875 1.00 1.02 H new ATOM 0 HA THR A 27 10.347 1.344 3.892 1.00 1.21 H new ATOM 0 HB THR A 27 11.511 3.173 5.186 1.00 1.45 H new ATOM 0 HG1 THR A 27 10.888 5.354 4.580 1.00 1.43 H new ATOM 0 HG21 THR A 27 12.601 4.271 3.264 1.00 1.61 H new ATOM 0 HG22 THR A 27 12.369 2.534 2.956 1.00 1.61 H new ATOM 0 HG23 THR A 27 11.286 3.725 2.197 1.00 1.61 H new ATOM 515 N ARG A 28 9.554 1.542 6.384 1.00 1.07 N ATOM 516 CA ARG A 28 8.858 1.271 7.640 1.00 0.93 C ATOM 517 C ARG A 28 8.086 2.504 8.123 1.00 0.69 C ATOM 518 O ARG A 28 6.869 2.452 8.251 1.00 0.59 O ATOM 519 CB ARG A 28 9.866 0.774 8.693 1.00 1.10 C ATOM 520 CG ARG A 28 9.192 0.206 9.955 1.00 1.20 C ATOM 521 CD ARG A 28 9.598 0.963 11.227 1.00 1.50 C ATOM 522 NE ARG A 28 9.046 0.305 12.425 1.00 2.76 N ATOM 523 CZ ARG A 28 9.030 0.819 13.668 1.00 3.49 C ATOM 524 NH1 ARG A 28 9.530 2.039 13.894 1.00 3.57 N ATOM 525 NH2 ARG A 28 8.518 0.108 14.679 1.00 4.98 N ATOM 0 H ARG A 28 10.526 1.232 6.389 1.00 1.07 H new ATOM 0 HA ARG A 28 8.120 0.486 7.476 1.00 0.93 H new ATOM 0 HB2 ARG A 28 10.497 0.005 8.248 1.00 1.10 H new ATOM 0 HB3 ARG A 28 10.521 1.598 8.978 1.00 1.10 H new ATOM 0 HG2 ARG A 28 8.109 0.253 9.838 1.00 1.20 H new ATOM 0 HG3 ARG A 28 9.456 -0.846 10.062 1.00 1.20 H new ATOM 0 HD2 ARG A 28 10.685 1.007 11.299 1.00 1.50 H new ATOM 0 HD3 ARG A 28 9.240 1.991 11.174 1.00 1.50 H new ATOM 0 HE ARG A 28 8.640 -0.622 12.300 1.00 2.76 H new ATOM 0 HH11 ARG A 28 9.923 2.580 13.124 1.00 3.57 H new ATOM 0 HH12 ARG A 28 9.518 2.429 14.837 1.00 3.57 H new ATOM 0 HH21 ARG A 28 8.140 -0.824 14.507 1.00 4.98 H new ATOM 0 HH22 ARG A 28 8.506 0.498 15.622 1.00 4.98 H new ATOM 539 N ARG A 29 8.793 3.614 8.365 1.00 0.71 N ATOM 540 CA ARG A 29 8.220 4.851 8.895 1.00 0.65 C ATOM 541 C ARG A 29 6.996 5.290 8.076 1.00 0.57 C ATOM 542 O ARG A 29 5.947 5.623 8.630 1.00 0.56 O ATOM 543 CB ARG A 29 9.314 5.938 8.921 1.00 0.93 C ATOM 544 CG ARG A 29 9.198 6.941 10.081 1.00 1.30 C ATOM 545 CD ARG A 29 7.949 7.829 10.045 1.00 1.92 C ATOM 546 NE ARG A 29 7.875 8.624 8.807 1.00 3.58 N ATOM 547 CZ ARG A 29 6.750 9.177 8.326 1.00 5.14 C ATOM 548 NH1 ARG A 29 5.606 9.083 8.999 1.00 5.48 N ATOM 549 NH2 ARG A 29 6.740 9.828 7.160 1.00 6.91 N ATOM 0 H ARG A 29 9.797 3.676 8.194 1.00 0.71 H new ATOM 0 HA ARG A 29 7.867 4.683 9.913 1.00 0.65 H new ATOM 0 HB2 ARG A 29 10.288 5.452 8.975 1.00 0.93 H new ATOM 0 HB3 ARG A 29 9.284 6.487 7.980 1.00 0.93 H new ATOM 0 HG2 ARG A 29 9.207 6.389 11.021 1.00 1.30 H new ATOM 0 HG3 ARG A 29 10.081 7.581 10.079 1.00 1.30 H new ATOM 0 HD2 ARG A 29 7.058 7.206 10.130 1.00 1.92 H new ATOM 0 HD3 ARG A 29 7.954 8.498 10.906 1.00 1.92 H new ATOM 0 HE ARG A 29 8.737 8.764 8.280 1.00 3.58 H new ATOM 0 HH11 ARG A 29 5.578 8.587 9.890 1.00 5.48 H new ATOM 0 HH12 ARG A 29 4.757 9.507 8.624 1.00 5.48 H new ATOM 0 HH21 ARG A 29 7.599 9.913 6.616 1.00 6.91 H new ATOM 0 HH22 ARG A 29 5.874 10.240 6.814 1.00 6.91 H new ATOM 563 N ARG A 30 7.132 5.287 6.746 1.00 0.65 N ATOM 564 CA ARG A 30 6.049 5.671 5.850 1.00 0.56 C ATOM 565 C ARG A 30 4.876 4.709 6.015 1.00 0.46 C ATOM 566 O ARG A 30 3.732 5.127 6.163 1.00 0.53 O ATOM 567 CB ARG A 30 6.522 5.661 4.384 1.00 0.68 C ATOM 568 CG ARG A 30 6.408 7.036 3.716 1.00 0.97 C ATOM 569 CD ARG A 30 4.972 7.576 3.806 1.00 0.87 C ATOM 570 NE ARG A 30 4.398 7.959 2.508 1.00 1.48 N ATOM 571 CZ ARG A 30 4.368 9.187 1.973 1.00 2.17 C ATOM 572 NH1 ARG A 30 5.174 10.145 2.436 1.00 2.76 N ATOM 573 NH2 ARG A 30 3.546 9.426 0.951 1.00 2.80 N ATOM 0 H ARG A 30 7.992 5.019 6.268 1.00 0.65 H new ATOM 0 HA ARG A 30 5.733 6.682 6.107 1.00 0.56 H new ATOM 0 HB2 ARG A 30 7.559 5.327 4.343 1.00 0.68 H new ATOM 0 HB3 ARG A 30 5.932 4.938 3.821 1.00 0.68 H new ATOM 0 HG2 ARG A 30 7.094 7.735 4.195 1.00 0.97 H new ATOM 0 HG3 ARG A 30 6.707 6.962 2.671 1.00 0.97 H new ATOM 0 HD2 ARG A 30 4.337 6.817 4.264 1.00 0.87 H new ATOM 0 HD3 ARG A 30 4.961 8.442 4.467 1.00 0.87 H new ATOM 0 HE ARG A 30 3.978 7.211 1.956 1.00 1.48 H new ATOM 0 HH11 ARG A 30 5.818 9.944 3.201 1.00 2.76 H new ATOM 0 HH12 ARG A 30 5.146 11.078 2.024 1.00 2.76 H new ATOM 0 HH21 ARG A 30 2.953 8.680 0.588 1.00 2.80 H new ATOM 0 HH22 ARG A 30 3.510 10.355 0.532 1.00 2.80 H new ATOM 587 N ARG A 31 5.171 3.410 5.963 1.00 0.44 N ATOM 588 CA ARG A 31 4.166 2.369 6.060 1.00 0.49 C ATOM 589 C ARG A 31 3.377 2.509 7.361 1.00 0.52 C ATOM 590 O ARG A 31 2.151 2.457 7.347 1.00 0.63 O ATOM 591 CB ARG A 31 4.844 1.003 5.943 1.00 0.57 C ATOM 592 CG ARG A 31 3.969 0.019 5.164 1.00 0.65 C ATOM 593 CD ARG A 31 4.545 -1.394 5.250 1.00 0.74 C ATOM 594 NE ARG A 31 5.994 -1.432 5.007 1.00 1.05 N ATOM 595 CZ ARG A 31 6.797 -2.419 5.436 1.00 1.86 C ATOM 596 NH1 ARG A 31 6.265 -3.538 5.947 1.00 2.53 N ATOM 597 NH2 ARG A 31 8.124 -2.282 5.327 1.00 2.69 N ATOM 0 H ARG A 31 6.121 3.056 5.852 1.00 0.44 H new ATOM 0 HA ARG A 31 3.451 2.466 5.243 1.00 0.49 H new ATOM 0 HB2 ARG A 31 5.807 1.113 5.443 1.00 0.57 H new ATOM 0 HB3 ARG A 31 5.045 0.607 6.938 1.00 0.57 H new ATOM 0 HG2 ARG A 31 2.955 0.030 5.564 1.00 0.65 H new ATOM 0 HG3 ARG A 31 3.904 0.328 4.121 1.00 0.65 H new ATOM 0 HD2 ARG A 31 4.335 -1.808 6.236 1.00 0.74 H new ATOM 0 HD3 ARG A 31 4.042 -2.032 4.523 1.00 0.74 H new ATOM 0 HE ARG A 31 6.414 -0.665 4.482 1.00 1.05 H new ATOM 0 HH11 ARG A 31 5.252 -3.639 6.009 1.00 2.53 H new ATOM 0 HH12 ARG A 31 6.873 -4.289 6.273 1.00 2.53 H new ATOM 0 HH21 ARG A 31 8.517 -1.433 4.921 1.00 2.69 H new ATOM 0 HH22 ARG A 31 8.742 -3.026 5.650 1.00 2.69 H new ATOM 611 N ILE A 32 4.085 2.723 8.474 1.00 0.50 N ATOM 612 CA ILE A 32 3.472 3.050 9.751 1.00 0.55 C ATOM 613 C ILE A 32 2.556 4.262 9.584 1.00 0.56 C ATOM 614 O ILE A 32 1.408 4.208 10.005 1.00 0.64 O ATOM 615 CB ILE A 32 4.526 3.246 10.859 1.00 0.62 C ATOM 616 CG1 ILE A 32 5.270 1.910 11.074 1.00 0.69 C ATOM 617 CG2 ILE A 32 3.844 3.773 12.136 1.00 0.67 C ATOM 618 CD1 ILE A 32 5.599 1.575 12.526 1.00 1.85 C ATOM 0 H ILE A 32 5.103 2.672 8.508 1.00 0.50 H new ATOM 0 HA ILE A 32 2.860 2.209 10.076 1.00 0.55 H new ATOM 0 HB ILE A 32 5.266 3.993 10.572 1.00 0.62 H new ATOM 0 HG12 ILE A 32 4.663 1.104 10.661 1.00 0.69 H new ATOM 0 HG13 ILE A 32 6.199 1.934 10.504 1.00 0.69 H new ATOM 0 HG21 ILE A 32 4.591 3.911 12.917 1.00 0.67 H new ATOM 0 HG22 ILE A 32 3.361 4.727 11.924 1.00 0.67 H new ATOM 0 HG23 ILE A 32 3.096 3.055 12.472 1.00 0.67 H new ATOM 0 HD11 ILE A 32 6.120 0.619 12.570 1.00 1.85 H new ATOM 0 HD12 ILE A 32 6.236 2.355 12.944 1.00 1.85 H new ATOM 0 HD13 ILE A 32 4.676 1.512 13.103 1.00 1.85 H new ATOM 630 N GLU A 33 3.035 5.349 8.972 1.00 0.56 N ATOM 631 CA GLU A 33 2.189 6.518 8.737 1.00 0.67 C ATOM 632 C GLU A 33 0.896 6.149 8.011 1.00 0.65 C ATOM 633 O GLU A 33 -0.191 6.455 8.503 1.00 0.77 O ATOM 634 CB GLU A 33 2.966 7.682 8.102 1.00 0.75 C ATOM 635 CG GLU A 33 2.465 8.224 6.749 1.00 0.76 C ATOM 636 CD GLU A 33 3.279 9.414 6.250 1.00 1.43 C ATOM 637 OE1 GLU A 33 4.142 9.889 7.024 1.00 2.25 O ATOM 638 OE2 GLU A 33 3.097 9.798 5.078 1.00 2.14 O ATOM 0 H GLU A 33 3.993 5.442 8.634 1.00 0.56 H new ATOM 0 HA GLU A 33 1.871 6.897 9.708 1.00 0.67 H new ATOM 0 HB2 GLU A 33 2.972 8.508 8.813 1.00 0.75 H new ATOM 0 HB3 GLU A 33 4.001 7.364 7.974 1.00 0.75 H new ATOM 0 HG2 GLU A 33 2.504 7.427 6.007 1.00 0.76 H new ATOM 0 HG3 GLU A 33 1.420 8.519 6.846 1.00 0.76 H new ATOM 645 N ILE A 34 0.999 5.433 6.889 1.00 0.55 N ATOM 646 CA ILE A 34 -0.160 4.913 6.196 1.00 0.51 C ATOM 647 C ILE A 34 -1.038 4.121 7.177 1.00 0.54 C ATOM 648 O ILE A 34 -2.236 4.367 7.268 1.00 0.73 O ATOM 649 CB ILE A 34 0.295 4.126 4.944 1.00 0.69 C ATOM 650 CG1 ILE A 34 -0.157 4.806 3.649 1.00 0.95 C ATOM 651 CG2 ILE A 34 -0.235 2.703 4.898 1.00 1.80 C ATOM 652 CD1 ILE A 34 0.903 5.777 3.147 1.00 2.38 C ATOM 0 H ILE A 34 1.888 5.203 6.445 1.00 0.55 H new ATOM 0 HA ILE A 34 -0.794 5.718 5.823 1.00 0.51 H new ATOM 0 HB ILE A 34 1.382 4.107 5.022 1.00 0.69 H new ATOM 0 HG12 ILE A 34 -0.355 4.052 2.887 1.00 0.95 H new ATOM 0 HG13 ILE A 34 -1.092 5.339 3.821 1.00 0.95 H new ATOM 0 HG21 ILE A 34 0.123 2.210 3.994 1.00 1.80 H new ATOM 0 HG22 ILE A 34 0.116 2.156 5.773 1.00 1.80 H new ATOM 0 HG23 ILE A 34 -1.325 2.721 4.894 1.00 1.80 H new ATOM 0 HD11 ILE A 34 0.559 6.247 2.226 1.00 2.38 H new ATOM 0 HD12 ILE A 34 1.081 6.543 3.901 1.00 2.38 H new ATOM 0 HD13 ILE A 34 1.829 5.236 2.954 1.00 2.38 H new ATOM 664 N ALA A 35 -0.460 3.213 7.966 1.00 0.56 N ATOM 665 CA ALA A 35 -1.215 2.420 8.925 1.00 0.79 C ATOM 666 C ALA A 35 -1.850 3.301 10.001 1.00 0.93 C ATOM 667 O ALA A 35 -2.923 2.968 10.493 1.00 1.19 O ATOM 668 CB ALA A 35 -0.338 1.323 9.535 1.00 0.76 C ATOM 0 H ALA A 35 0.540 3.011 7.955 1.00 0.56 H new ATOM 0 HA ALA A 35 -2.030 1.932 8.391 1.00 0.79 H new ATOM 0 HB1 ALA A 35 -0.924 0.744 10.249 1.00 0.76 H new ATOM 0 HB2 ALA A 35 0.025 0.666 8.745 1.00 0.76 H new ATOM 0 HB3 ALA A 35 0.510 1.778 10.047 1.00 0.76 H new ATOM 674 N HIS A 36 -1.235 4.429 10.354 1.00 1.00 N ATOM 675 CA HIS A 36 -1.771 5.352 11.341 1.00 1.32 C ATOM 676 C HIS A 36 -2.939 6.131 10.740 1.00 1.15 C ATOM 677 O HIS A 36 -3.914 6.421 11.427 1.00 1.41 O ATOM 678 CB HIS A 36 -0.655 6.282 11.871 1.00 1.75 C ATOM 679 CG HIS A 36 -0.277 6.130 13.328 1.00 1.54 C ATOM 680 ND1 HIS A 36 0.823 6.703 13.932 1.00 2.78 N ATOM 681 CD2 HIS A 36 -0.976 5.476 14.309 1.00 2.46 C ATOM 682 CE1 HIS A 36 0.785 6.385 15.238 1.00 3.15 C ATOM 683 NE2 HIS A 36 -0.291 5.635 15.515 1.00 3.43 N ATOM 0 H HIS A 36 -0.344 4.726 9.957 1.00 1.00 H new ATOM 0 HA HIS A 36 -2.152 4.794 12.196 1.00 1.32 H new ATOM 0 HB2 HIS A 36 0.239 6.118 11.269 1.00 1.75 H new ATOM 0 HB3 HIS A 36 -0.965 7.314 11.706 1.00 1.75 H new ATOM 0 HD2 HIS A 36 -1.898 4.931 14.172 1.00 2.46 H new ATOM 0 HE1 HIS A 36 1.522 6.692 15.965 1.00 3.15 H new ATOM 0 HE2 HIS A 36 -0.556 5.256 16.424 1.00 3.43 H new ATOM 691 N ALA A 37 -2.842 6.455 9.450 1.00 0.84 N ATOM 692 CA ALA A 37 -3.870 7.174 8.716 1.00 0.75 C ATOM 693 C ALA A 37 -4.999 6.263 8.231 1.00 0.55 C ATOM 694 O ALA A 37 -6.084 6.757 7.937 1.00 0.82 O ATOM 695 CB ALA A 37 -3.198 7.944 7.579 1.00 0.87 C ATOM 0 H ALA A 37 -2.030 6.218 8.881 1.00 0.84 H new ATOM 0 HA ALA A 37 -4.362 7.880 9.385 1.00 0.75 H new ATOM 0 HB1 ALA A 37 -3.953 8.492 7.014 1.00 0.87 H new ATOM 0 HB2 ALA A 37 -2.474 8.646 7.993 1.00 0.87 H new ATOM 0 HB3 ALA A 37 -2.687 7.244 6.918 1.00 0.87 H new ATOM 701 N LEU A 38 -4.750 4.952 8.136 1.00 0.43 N ATOM 702 CA LEU A 38 -5.638 4.008 7.466 1.00 0.50 C ATOM 703 C LEU A 38 -6.132 2.883 8.383 1.00 0.64 C ATOM 704 O LEU A 38 -7.185 2.306 8.130 1.00 0.92 O ATOM 705 CB LEU A 38 -4.887 3.475 6.238 1.00 0.50 C ATOM 706 CG LEU A 38 -5.765 3.080 5.049 1.00 0.80 C ATOM 707 CD1 LEU A 38 -6.625 4.276 4.619 1.00 1.02 C ATOM 708 CD2 LEU A 38 -4.808 2.674 3.920 1.00 0.82 C ATOM 0 H LEU A 38 -3.915 4.516 8.528 1.00 0.43 H new ATOM 0 HA LEU A 38 -6.552 4.519 7.163 1.00 0.50 H new ATOM 0 HB2 LEU A 38 -4.180 4.236 5.908 1.00 0.50 H new ATOM 0 HB3 LEU A 38 -4.303 2.606 6.540 1.00 0.50 H new ATOM 0 HG LEU A 38 -6.439 2.262 5.302 1.00 0.80 H new ATOM 0 HD11 LEU A 38 -7.249 3.990 3.772 1.00 1.02 H new ATOM 0 HD12 LEU A 38 -7.260 4.585 5.449 1.00 1.02 H new ATOM 0 HD13 LEU A 38 -5.978 5.104 4.330 1.00 1.02 H new ATOM 0 HD21 LEU A 38 -5.384 2.381 3.042 1.00 0.82 H new ATOM 0 HD22 LEU A 38 -4.165 3.517 3.667 1.00 0.82 H new ATOM 0 HD23 LEU A 38 -4.194 1.835 4.247 1.00 0.82 H new ATOM 720 N SER A 39 -5.392 2.585 9.455 1.00 1.00 N ATOM 721 CA SER A 39 -5.723 1.599 10.482 1.00 1.24 C ATOM 722 C SER A 39 -5.601 0.177 9.922 1.00 1.18 C ATOM 723 O SER A 39 -6.590 -0.495 9.639 1.00 1.32 O ATOM 724 CB SER A 39 -7.085 1.904 11.123 1.00 1.67 C ATOM 725 OG SER A 39 -7.147 1.347 12.423 1.00 2.71 O ATOM 0 H SER A 39 -4.502 3.049 9.637 1.00 1.00 H new ATOM 0 HA SER A 39 -4.999 1.667 11.294 1.00 1.24 H new ATOM 0 HB2 SER A 39 -7.239 2.982 11.173 1.00 1.67 H new ATOM 0 HB3 SER A 39 -7.886 1.496 10.506 1.00 1.67 H new ATOM 0 HG SER A 39 -8.018 1.548 12.824 1.00 2.71 H new ATOM 731 N LEU A 40 -4.357 -0.255 9.710 1.00 1.01 N ATOM 732 CA LEU A 40 -4.009 -1.531 9.098 1.00 0.89 C ATOM 733 C LEU A 40 -2.680 -1.993 9.707 1.00 0.65 C ATOM 734 O LEU A 40 -2.189 -1.373 10.648 1.00 0.70 O ATOM 735 CB LEU A 40 -3.911 -1.344 7.570 1.00 0.97 C ATOM 736 CG LEU A 40 -5.039 -1.979 6.748 1.00 1.08 C ATOM 737 CD1 LEU A 40 -4.892 -1.461 5.310 1.00 1.17 C ATOM 738 CD2 LEU A 40 -4.978 -3.515 6.764 1.00 1.17 C ATOM 0 H LEU A 40 -3.538 0.295 9.970 1.00 1.01 H new ATOM 0 HA LEU A 40 -4.766 -2.292 9.288 1.00 0.89 H new ATOM 0 HB2 LEU A 40 -3.886 -0.276 7.354 1.00 0.97 H new ATOM 0 HB3 LEU A 40 -2.962 -1.760 7.232 1.00 0.97 H new ATOM 0 HG LEU A 40 -6.002 -1.705 7.179 1.00 1.08 H new ATOM 0 HD11 LEU A 40 -5.677 -1.889 4.687 1.00 1.17 H new ATOM 0 HD12 LEU A 40 -4.976 -0.374 5.304 1.00 1.17 H new ATOM 0 HD13 LEU A 40 -3.918 -1.752 4.916 1.00 1.17 H new ATOM 0 HD21 LEU A 40 -5.797 -3.918 6.168 1.00 1.17 H new ATOM 0 HD22 LEU A 40 -4.028 -3.846 6.345 1.00 1.17 H new ATOM 0 HD23 LEU A 40 -5.066 -3.872 7.790 1.00 1.17 H new ATOM 750 N THR A 41 -2.075 -3.044 9.142 1.00 0.54 N ATOM 751 CA THR A 41 -0.804 -3.604 9.583 1.00 0.47 C ATOM 752 C THR A 41 0.247 -3.503 8.472 1.00 0.49 C ATOM 753 O THR A 41 -0.037 -3.787 7.304 1.00 0.48 O ATOM 754 CB THR A 41 -1.027 -5.070 9.979 1.00 0.55 C ATOM 755 OG1 THR A 41 -1.828 -5.716 9.009 1.00 0.79 O ATOM 756 CG2 THR A 41 -1.713 -5.176 11.346 1.00 0.77 C ATOM 0 H THR A 41 -2.472 -3.538 8.343 1.00 0.54 H new ATOM 0 HA THR A 41 -0.434 -3.041 10.440 1.00 0.47 H new ATOM 0 HB THR A 41 -0.051 -5.552 10.038 1.00 0.55 H new ATOM 0 HG1 THR A 41 -1.964 -6.651 9.268 1.00 0.79 H new ATOM 0 HG21 THR A 41 -1.858 -6.226 11.600 1.00 0.77 H new ATOM 0 HG22 THR A 41 -1.089 -4.702 12.104 1.00 0.77 H new ATOM 0 HG23 THR A 41 -2.680 -4.675 11.307 1.00 0.77 H new ATOM 764 N GLU A 42 1.482 -3.158 8.847 1.00 0.63 N ATOM 765 CA GLU A 42 2.635 -3.061 7.967 1.00 0.72 C ATOM 766 C GLU A 42 2.800 -4.286 7.066 1.00 0.60 C ATOM 767 O GLU A 42 3.345 -4.159 5.966 1.00 0.64 O ATOM 768 CB GLU A 42 3.913 -2.877 8.800 1.00 1.02 C ATOM 769 CG GLU A 42 3.947 -1.553 9.575 1.00 2.23 C ATOM 770 CD GLU A 42 3.491 -1.735 11.017 1.00 3.11 C ATOM 771 OE1 GLU A 42 2.333 -2.178 11.185 1.00 4.25 O ATOM 772 OE2 GLU A 42 4.326 -1.473 11.907 1.00 3.81 O ATOM 0 H GLU A 42 1.708 -2.930 9.815 1.00 0.63 H new ATOM 0 HA GLU A 42 2.466 -2.198 7.323 1.00 0.72 H new ATOM 0 HB2 GLU A 42 4.002 -3.704 9.504 1.00 1.02 H new ATOM 0 HB3 GLU A 42 4.779 -2.926 8.140 1.00 1.02 H new ATOM 0 HG2 GLU A 42 4.959 -1.149 9.561 1.00 2.23 H new ATOM 0 HG3 GLU A 42 3.306 -0.824 9.079 1.00 2.23 H new ATOM 779 N ARG A 43 2.402 -5.468 7.550 1.00 0.69 N ATOM 780 CA ARG A 43 2.450 -6.696 6.773 1.00 0.67 C ATOM 781 C ARG A 43 1.442 -6.595 5.634 1.00 0.59 C ATOM 782 O ARG A 43 1.826 -6.643 4.470 1.00 0.72 O ATOM 783 CB ARG A 43 2.211 -7.926 7.672 1.00 0.78 C ATOM 784 CG ARG A 43 1.736 -9.154 6.874 1.00 1.86 C ATOM 785 CD ARG A 43 1.820 -10.459 7.677 1.00 2.28 C ATOM 786 NE ARG A 43 3.176 -11.039 7.671 1.00 3.35 N ATOM 787 CZ ARG A 43 3.469 -12.285 8.087 1.00 4.07 C ATOM 788 NH1 ARG A 43 2.519 -13.032 8.662 1.00 4.03 N ATOM 789 NH2 ARG A 43 4.700 -12.784 7.923 1.00 5.59 N ATOM 0 H ARG A 43 2.038 -5.592 8.495 1.00 0.69 H new ATOM 0 HA ARG A 43 3.442 -6.828 6.341 1.00 0.67 H new ATOM 0 HB2 ARG A 43 3.133 -8.173 8.198 1.00 0.78 H new ATOM 0 HB3 ARG A 43 1.468 -7.679 8.430 1.00 0.78 H new ATOM 0 HG2 ARG A 43 0.706 -8.996 6.554 1.00 1.86 H new ATOM 0 HG3 ARG A 43 2.339 -9.250 5.971 1.00 1.86 H new ATOM 0 HD2 ARG A 43 1.514 -10.269 8.706 1.00 2.28 H new ATOM 0 HD3 ARG A 43 1.117 -11.182 7.264 1.00 2.28 H new ATOM 0 HE ARG A 43 3.942 -10.458 7.329 1.00 3.35 H new ATOM 0 HH11 ARG A 43 1.578 -12.656 8.783 1.00 4.03 H new ATOM 0 HH12 ARG A 43 2.736 -13.977 8.979 1.00 4.03 H new ATOM 0 HH21 ARG A 43 5.424 -12.219 7.480 1.00 5.59 H new ATOM 0 HH22 ARG A 43 4.914 -13.729 8.241 1.00 5.59 H new ATOM 803 N GLN A 44 0.155 -6.471 5.970 1.00 0.50 N ATOM 804 CA GLN A 44 -0.929 -6.495 4.996 1.00 0.50 C ATOM 805 C GLN A 44 -0.679 -5.444 3.923 1.00 0.43 C ATOM 806 O GLN A 44 -0.771 -5.721 2.726 1.00 0.41 O ATOM 807 CB GLN A 44 -2.262 -6.226 5.709 1.00 0.58 C ATOM 808 CG GLN A 44 -2.751 -7.453 6.494 1.00 0.98 C ATOM 809 CD GLN A 44 -3.628 -8.403 5.679 1.00 1.67 C ATOM 810 OE1 GLN A 44 -4.423 -9.142 6.245 1.00 2.79 O ATOM 811 NE2 GLN A 44 -3.519 -8.399 4.352 1.00 2.77 N ATOM 0 H GLN A 44 -0.161 -6.351 6.932 1.00 0.50 H new ATOM 0 HA GLN A 44 -0.973 -7.475 4.521 1.00 0.50 H new ATOM 0 HB2 GLN A 44 -2.146 -5.383 6.390 1.00 0.58 H new ATOM 0 HB3 GLN A 44 -3.015 -5.941 4.974 1.00 0.58 H new ATOM 0 HG2 GLN A 44 -1.886 -8.002 6.866 1.00 0.98 H new ATOM 0 HG3 GLN A 44 -3.312 -7.114 7.365 1.00 0.98 H new ATOM 0 HE21 GLN A 44 -2.851 -7.777 3.897 1.00 2.77 H new ATOM 0 HE22 GLN A 44 -4.103 -9.018 3.790 1.00 2.77 H new ATOM 820 N ILE A 45 -0.331 -4.241 4.376 1.00 0.45 N ATOM 821 CA ILE A 45 0.005 -3.143 3.494 1.00 0.46 C ATOM 822 C ILE A 45 1.179 -3.531 2.609 1.00 0.42 C ATOM 823 O ILE A 45 1.107 -3.339 1.397 1.00 0.43 O ATOM 824 CB ILE A 45 0.272 -1.889 4.332 1.00 0.64 C ATOM 825 CG1 ILE A 45 -1.061 -1.565 5.024 1.00 0.95 C ATOM 826 CG2 ILE A 45 0.797 -0.711 3.494 1.00 0.77 C ATOM 827 CD1 ILE A 45 -1.086 -0.165 5.604 1.00 0.88 C ATOM 0 H ILE A 45 -0.276 -4.008 5.367 1.00 0.45 H new ATOM 0 HA ILE A 45 -0.826 -2.916 2.826 1.00 0.46 H new ATOM 0 HB ILE A 45 1.065 -2.068 5.058 1.00 0.64 H new ATOM 0 HG12 ILE A 45 -1.875 -1.673 4.307 1.00 0.95 H new ATOM 0 HG13 ILE A 45 -1.239 -2.288 5.820 1.00 0.95 H new ATOM 0 HG21 ILE A 45 0.968 0.149 4.142 1.00 0.77 H new ATOM 0 HG22 ILE A 45 1.733 -0.995 3.014 1.00 0.77 H new ATOM 0 HG23 ILE A 45 0.063 -0.451 2.732 1.00 0.77 H new ATOM 0 HD11 ILE A 45 -2.049 0.014 6.082 1.00 0.88 H new ATOM 0 HD12 ILE A 45 -0.291 -0.063 6.342 1.00 0.88 H new ATOM 0 HD13 ILE A 45 -0.936 0.562 4.806 1.00 0.88 H new ATOM 839 N LYS A 46 2.260 -4.068 3.188 1.00 0.47 N ATOM 840 CA LYS A 46 3.392 -4.475 2.374 1.00 0.53 C ATOM 841 C LYS A 46 2.956 -5.482 1.314 1.00 0.51 C ATOM 842 O LYS A 46 3.332 -5.307 0.162 1.00 0.60 O ATOM 843 CB LYS A 46 4.561 -4.987 3.223 1.00 0.61 C ATOM 844 CG LYS A 46 5.812 -5.360 2.405 1.00 0.55 C ATOM 845 CD LYS A 46 6.271 -4.313 1.368 1.00 2.64 C ATOM 846 CE LYS A 46 6.613 -2.947 1.989 1.00 3.97 C ATOM 847 NZ LYS A 46 6.786 -1.876 0.982 1.00 5.89 N ATOM 0 H LYS A 46 2.367 -4.224 4.190 1.00 0.47 H new ATOM 0 HA LYS A 46 3.766 -3.592 1.855 1.00 0.53 H new ATOM 0 HB2 LYS A 46 4.830 -4.222 3.951 1.00 0.61 H new ATOM 0 HB3 LYS A 46 4.233 -5.861 3.785 1.00 0.61 H new ATOM 0 HG2 LYS A 46 6.634 -5.544 3.097 1.00 0.55 H new ATOM 0 HG3 LYS A 46 5.617 -6.298 1.885 1.00 0.55 H new ATOM 0 HD2 LYS A 46 7.146 -4.694 0.841 1.00 2.64 H new ATOM 0 HD3 LYS A 46 5.485 -4.179 0.625 1.00 2.64 H new ATOM 0 HE2 LYS A 46 5.821 -2.661 2.681 1.00 3.97 H new ATOM 0 HE3 LYS A 46 7.529 -3.039 2.573 1.00 3.97 H new ATOM 0 HZ1 LYS A 46 7.315 -1.086 1.403 1.00 5.89 H new ATOM 0 HZ2 LYS A 46 7.311 -2.249 0.166 1.00 5.89 H new ATOM 0 HZ3 LYS A 46 5.853 -1.540 0.669 1.00 5.89 H new ATOM 861 N ILE A 47 2.179 -6.508 1.673 1.00 0.46 N ATOM 862 CA ILE A 47 1.702 -7.496 0.710 1.00 0.54 C ATOM 863 C ILE A 47 0.911 -6.810 -0.406 1.00 0.49 C ATOM 864 O ILE A 47 1.222 -7.023 -1.577 1.00 0.60 O ATOM 865 CB ILE A 47 0.890 -8.615 1.397 1.00 0.62 C ATOM 866 CG1 ILE A 47 1.657 -9.353 2.514 1.00 0.65 C ATOM 867 CG2 ILE A 47 0.407 -9.638 0.357 1.00 1.13 C ATOM 868 CD1 ILE A 47 3.145 -9.589 2.234 1.00 2.43 C ATOM 0 H ILE A 47 1.867 -6.674 2.630 1.00 0.46 H new ATOM 0 HA ILE A 47 2.567 -7.980 0.256 1.00 0.54 H new ATOM 0 HB ILE A 47 0.045 -8.115 1.871 1.00 0.62 H new ATOM 0 HG12 ILE A 47 1.563 -8.781 3.437 1.00 0.65 H new ATOM 0 HG13 ILE A 47 1.178 -10.317 2.686 1.00 0.65 H new ATOM 0 HG21 ILE A 47 -0.164 -10.421 0.855 1.00 1.13 H new ATOM 0 HG22 ILE A 47 -0.225 -9.139 -0.378 1.00 1.13 H new ATOM 0 HG23 ILE A 47 1.267 -10.080 -0.145 1.00 1.13 H new ATOM 0 HD11 ILE A 47 3.595 -10.114 3.077 1.00 2.43 H new ATOM 0 HD12 ILE A 47 3.254 -10.191 1.332 1.00 2.43 H new ATOM 0 HD13 ILE A 47 3.645 -8.631 2.094 1.00 2.43 H new ATOM 880 N TRP A 48 -0.086 -5.981 -0.073 1.00 0.39 N ATOM 881 CA TRP A 48 -0.850 -5.281 -1.103 1.00 0.39 C ATOM 882 C TRP A 48 0.089 -4.480 -2.008 1.00 0.39 C ATOM 883 O TRP A 48 0.038 -4.613 -3.230 1.00 0.47 O ATOM 884 CB TRP A 48 -1.928 -4.380 -0.494 1.00 0.41 C ATOM 885 CG TRP A 48 -2.821 -3.723 -1.512 1.00 0.51 C ATOM 886 CD1 TRP A 48 -4.052 -4.149 -1.861 1.00 0.81 C ATOM 887 CD2 TRP A 48 -2.565 -2.551 -2.349 1.00 0.42 C ATOM 888 NE1 TRP A 48 -4.578 -3.330 -2.838 1.00 0.86 N ATOM 889 CE2 TRP A 48 -3.704 -2.319 -3.180 1.00 0.59 C ATOM 890 CE3 TRP A 48 -1.494 -1.642 -2.467 1.00 0.34 C ATOM 891 CZ2 TRP A 48 -3.767 -1.246 -4.087 1.00 0.54 C ATOM 892 CZ3 TRP A 48 -1.525 -0.596 -3.402 1.00 0.40 C ATOM 893 CH2 TRP A 48 -2.669 -0.383 -4.190 1.00 0.41 C ATOM 0 H TRP A 48 -0.376 -5.783 0.885 1.00 0.39 H new ATOM 0 HA TRP A 48 -1.362 -6.030 -1.708 1.00 0.39 H new ATOM 0 HB2 TRP A 48 -2.542 -4.972 0.185 1.00 0.41 H new ATOM 0 HB3 TRP A 48 -1.446 -3.607 0.105 1.00 0.41 H new ATOM 0 HD1 TRP A 48 -4.553 -5.007 -1.437 1.00 0.81 H new ATOM 0 HE1 TRP A 48 -5.500 -3.456 -3.256 1.00 0.86 H new ATOM 0 HE3 TRP A 48 -0.633 -1.753 -1.825 1.00 0.34 H new ATOM 0 HZ2 TRP A 48 -4.647 -1.090 -4.694 1.00 0.54 H new ATOM 0 HZ3 TRP A 48 -0.666 0.048 -3.517 1.00 0.40 H new ATOM 0 HH2 TRP A 48 -2.701 0.449 -4.877 1.00 0.41 H new ATOM 904 N PHE A 49 0.964 -3.667 -1.407 1.00 0.41 N ATOM 905 CA PHE A 49 1.961 -2.890 -2.136 1.00 0.58 C ATOM 906 C PHE A 49 2.743 -3.808 -3.076 1.00 0.69 C ATOM 907 O PHE A 49 2.897 -3.497 -4.257 1.00 0.76 O ATOM 908 CB PHE A 49 2.896 -2.139 -1.167 1.00 0.64 C ATOM 909 CG PHE A 49 2.723 -0.630 -1.174 1.00 0.64 C ATOM 910 CD1 PHE A 49 1.723 -0.024 -0.392 1.00 1.87 C ATOM 911 CD2 PHE A 49 3.443 0.129 -2.115 1.00 1.71 C ATOM 912 CE1 PHE A 49 1.430 1.338 -0.574 1.00 1.86 C ATOM 913 CE2 PHE A 49 3.148 1.488 -2.292 1.00 1.77 C ATOM 914 CZ PHE A 49 2.112 2.076 -1.555 1.00 0.79 C ATOM 0 H PHE A 49 0.997 -3.532 -0.397 1.00 0.41 H new ATOM 0 HA PHE A 49 1.453 -2.135 -2.736 1.00 0.58 H new ATOM 0 HB2 PHE A 49 2.724 -2.508 -0.156 1.00 0.64 H new ATOM 0 HB3 PHE A 49 3.929 -2.376 -1.421 1.00 0.64 H new ATOM 0 HD1 PHE A 49 1.184 -0.602 0.344 1.00 1.87 H new ATOM 0 HD2 PHE A 49 4.223 -0.335 -2.701 1.00 1.71 H new ATOM 0 HE1 PHE A 49 0.681 1.817 0.040 1.00 1.86 H new ATOM 0 HE2 PHE A 49 3.717 2.079 -2.994 1.00 1.77 H new ATOM 0 HZ PHE A 49 1.836 3.103 -1.742 1.00 0.79 H new ATOM 924 N GLN A 50 3.226 -4.937 -2.546 1.00 0.74 N ATOM 925 CA GLN A 50 3.998 -5.929 -3.276 1.00 0.90 C ATOM 926 C GLN A 50 3.213 -6.374 -4.505 1.00 0.88 C ATOM 927 O GLN A 50 3.726 -6.329 -5.622 1.00 1.01 O ATOM 928 CB GLN A 50 4.404 -7.109 -2.366 1.00 1.01 C ATOM 929 CG GLN A 50 5.925 -7.115 -2.137 1.00 1.44 C ATOM 930 CD GLN A 50 6.464 -8.420 -1.558 1.00 1.56 C ATOM 931 OE1 GLN A 50 7.536 -8.864 -1.950 1.00 2.51 O ATOM 932 NE2 GLN A 50 5.752 -9.043 -0.624 1.00 1.68 N ATOM 0 H GLN A 50 3.082 -5.186 -1.567 1.00 0.74 H new ATOM 0 HA GLN A 50 4.933 -5.483 -3.617 1.00 0.90 H new ATOM 0 HB2 GLN A 50 3.887 -7.033 -1.410 1.00 1.01 H new ATOM 0 HB3 GLN A 50 4.095 -8.050 -2.821 1.00 1.01 H new ATOM 0 HG2 GLN A 50 6.425 -6.917 -3.085 1.00 1.44 H new ATOM 0 HG3 GLN A 50 6.183 -6.298 -1.464 1.00 1.44 H new ATOM 0 HE21 GLN A 50 4.862 -8.652 -0.315 1.00 1.68 H new ATOM 0 HE22 GLN A 50 6.096 -9.912 -0.216 1.00 1.68 H new ATOM 941 N ASN A 51 1.952 -6.745 -4.299 1.00 0.78 N ATOM 942 CA ASN A 51 1.061 -7.154 -5.374 1.00 0.81 C ATOM 943 C ASN A 51 0.864 -6.027 -6.394 1.00 0.77 C ATOM 944 O ASN A 51 0.812 -6.277 -7.599 1.00 0.80 O ATOM 945 CB ASN A 51 -0.286 -7.645 -4.811 1.00 0.76 C ATOM 946 CG ASN A 51 -0.523 -9.146 -4.994 1.00 1.18 C ATOM 947 OD1 ASN A 51 0.346 -9.898 -5.418 1.00 2.26 O ATOM 948 ND2 ASN A 51 -1.725 -9.611 -4.669 1.00 0.89 N ATOM 0 H ASN A 51 1.520 -6.769 -3.375 1.00 0.78 H new ATOM 0 HA ASN A 51 1.528 -7.988 -5.899 1.00 0.81 H new ATOM 0 HB2 ASN A 51 -0.334 -7.406 -3.749 1.00 0.76 H new ATOM 0 HB3 ASN A 51 -1.093 -7.097 -5.297 1.00 0.76 H new ATOM 0 HD21 ASN A 51 -1.932 -10.604 -4.772 1.00 0.89 H new ATOM 0 HD22 ASN A 51 -2.440 -8.974 -4.317 1.00 0.89 H new ATOM 955 N ARG A 52 0.759 -4.779 -5.930 1.00 0.81 N ATOM 956 CA ARG A 52 0.549 -3.650 -6.823 1.00 0.81 C ATOM 957 C ARG A 52 1.667 -3.594 -7.867 1.00 0.73 C ATOM 958 O ARG A 52 1.403 -3.603 -9.072 1.00 0.57 O ATOM 959 CB ARG A 52 0.442 -2.326 -6.044 1.00 0.99 C ATOM 960 CG ARG A 52 -0.787 -1.489 -6.431 1.00 0.96 C ATOM 961 CD ARG A 52 -1.057 -1.386 -7.936 1.00 1.55 C ATOM 962 NE ARG A 52 -1.865 -0.201 -8.288 1.00 2.19 N ATOM 963 CZ ARG A 52 -2.315 0.041 -9.532 1.00 3.05 C ATOM 964 NH1 ARG A 52 -2.176 -0.900 -10.469 1.00 3.53 N ATOM 965 NH2 ARG A 52 -2.883 1.201 -9.860 1.00 4.01 N ATOM 0 H ARG A 52 0.817 -4.531 -4.942 1.00 0.81 H new ATOM 0 HA ARG A 52 -0.401 -3.792 -7.339 1.00 0.81 H new ATOM 0 HB2 ARG A 52 0.403 -2.543 -4.977 1.00 0.99 H new ATOM 0 HB3 ARG A 52 1.343 -1.737 -6.217 1.00 0.99 H new ATOM 0 HG2 ARG A 52 -1.665 -1.918 -5.949 1.00 0.96 H new ATOM 0 HG3 ARG A 52 -0.663 -0.483 -6.030 1.00 0.96 H new ATOM 0 HD2 ARG A 52 -0.108 -1.345 -8.470 1.00 1.55 H new ATOM 0 HD3 ARG A 52 -1.573 -2.286 -8.271 1.00 1.55 H new ATOM 0 HE ARG A 52 -2.093 0.467 -7.551 1.00 2.19 H new ATOM 0 HH11 ARG A 52 -1.733 -1.789 -10.237 1.00 3.53 H new ATOM 0 HH12 ARG A 52 -2.513 -0.730 -11.417 1.00 3.53 H new ATOM 0 HH21 ARG A 52 -2.986 1.935 -9.159 1.00 4.01 H new ATOM 0 HH22 ARG A 52 -3.215 1.355 -10.812 1.00 4.01 H new ATOM 979 N ARG A 53 2.924 -3.556 -7.405 1.00 0.92 N ATOM 980 CA ARG A 53 4.046 -3.557 -8.340 1.00 0.96 C ATOM 981 C ARG A 53 4.235 -4.919 -9.008 1.00 0.73 C ATOM 982 O ARG A 53 4.838 -4.974 -10.076 1.00 0.69 O ATOM 983 CB ARG A 53 5.372 -2.991 -7.800 1.00 1.71 C ATOM 984 CG ARG A 53 5.367 -2.389 -6.392 1.00 1.60 C ATOM 985 CD ARG A 53 5.594 -3.459 -5.328 1.00 1.95 C ATOM 986 NE ARG A 53 6.868 -4.173 -5.447 1.00 2.06 N ATOM 987 CZ ARG A 53 8.068 -3.671 -5.132 1.00 2.35 C ATOM 988 NH1 ARG A 53 8.200 -2.374 -4.827 1.00 2.59 N ATOM 989 NH2 ARG A 53 9.126 -4.491 -5.129 1.00 3.55 N ATOM 0 H ARG A 53 3.181 -3.525 -6.418 1.00 0.92 H new ATOM 0 HA ARG A 53 3.748 -2.838 -9.103 1.00 0.96 H new ATOM 0 HB2 ARG A 53 6.111 -3.792 -7.820 1.00 1.71 H new ATOM 0 HB3 ARG A 53 5.715 -2.222 -8.492 1.00 1.71 H new ATOM 0 HG2 ARG A 53 6.144 -1.629 -6.317 1.00 1.60 H new ATOM 0 HG3 ARG A 53 4.415 -1.890 -6.211 1.00 1.60 H new ATOM 0 HD2 ARG A 53 5.544 -2.992 -4.344 1.00 1.95 H new ATOM 0 HD3 ARG A 53 4.780 -4.182 -5.379 1.00 1.95 H new ATOM 0 HE ARG A 53 6.838 -5.130 -5.798 1.00 2.06 H new ATOM 0 HH11 ARG A 53 7.383 -1.763 -4.834 1.00 2.59 H new ATOM 0 HH12 ARG A 53 9.117 -1.997 -4.588 1.00 2.59 H new ATOM 0 HH21 ARG A 53 9.008 -5.477 -5.364 1.00 3.55 H new ATOM 0 HH22 ARG A 53 10.050 -4.130 -4.892 1.00 3.55 H new ATOM 1003 N MET A 54 3.753 -6.012 -8.404 1.00 0.74 N ATOM 1004 CA MET A 54 3.869 -7.340 -8.995 1.00 0.66 C ATOM 1005 C MET A 54 3.176 -7.307 -10.344 1.00 0.55 C ATOM 1006 O MET A 54 3.769 -7.639 -11.370 1.00 0.64 O ATOM 1007 CB MET A 54 3.234 -8.388 -8.072 1.00 0.84 C ATOM 1008 CG MET A 54 3.289 -9.820 -8.607 1.00 1.07 C ATOM 1009 SD MET A 54 3.255 -11.115 -7.329 1.00 1.60 S ATOM 1010 CE MET A 54 4.729 -10.737 -6.341 1.00 3.67 C ATOM 0 H MET A 54 3.277 -5.997 -7.502 1.00 0.74 H new ATOM 0 HA MET A 54 4.916 -7.615 -9.125 1.00 0.66 H new ATOM 0 HB2 MET A 54 3.737 -8.355 -7.105 1.00 0.84 H new ATOM 0 HB3 MET A 54 2.192 -8.118 -7.899 1.00 0.84 H new ATOM 0 HG2 MET A 54 2.447 -9.973 -9.282 1.00 1.07 H new ATOM 0 HG3 MET A 54 4.197 -9.937 -9.199 1.00 1.07 H new ATOM 0 HE1 MET A 54 5.075 -11.642 -5.842 1.00 3.67 H new ATOM 0 HE2 MET A 54 5.517 -10.359 -6.993 1.00 3.67 H new ATOM 0 HE3 MET A 54 4.483 -9.983 -5.594 1.00 3.67 H new ATOM 1020 N LYS A 55 1.919 -6.863 -10.330 1.00 0.50 N ATOM 1021 CA LYS A 55 1.156 -6.773 -11.553 1.00 0.65 C ATOM 1022 C LYS A 55 1.792 -5.748 -12.492 1.00 0.70 C ATOM 1023 O LYS A 55 2.030 -6.070 -13.648 1.00 0.83 O ATOM 1024 CB LYS A 55 -0.319 -6.505 -11.249 1.00 0.81 C ATOM 1025 CG LYS A 55 -1.167 -6.879 -12.472 1.00 1.31 C ATOM 1026 CD LYS A 55 -2.665 -6.944 -12.130 1.00 1.61 C ATOM 1027 CE LYS A 55 -3.435 -5.730 -12.670 1.00 2.96 C ATOM 1028 NZ LYS A 55 -3.896 -5.962 -14.051 1.00 3.92 N ATOM 0 H LYS A 55 1.421 -6.566 -9.491 1.00 0.50 H new ATOM 0 HA LYS A 55 1.180 -7.728 -12.079 1.00 0.65 H new ATOM 0 HB2 LYS A 55 -0.635 -7.086 -10.382 1.00 0.81 H new ATOM 0 HB3 LYS A 55 -0.465 -5.454 -10.999 1.00 0.81 H new ATOM 0 HG2 LYS A 55 -1.006 -6.147 -13.263 1.00 1.31 H new ATOM 0 HG3 LYS A 55 -0.840 -7.844 -12.859 1.00 1.31 H new ATOM 0 HD2 LYS A 55 -3.092 -7.857 -12.545 1.00 1.61 H new ATOM 0 HD3 LYS A 55 -2.787 -6.998 -11.048 1.00 1.61 H new ATOM 0 HE2 LYS A 55 -4.291 -5.524 -12.028 1.00 2.96 H new ATOM 0 HE3 LYS A 55 -2.795 -4.848 -12.641 1.00 2.96 H new ATOM 0 HZ1 LYS A 55 -3.539 -5.205 -14.668 1.00 3.92 H new ATOM 0 HZ2 LYS A 55 -3.539 -6.879 -14.387 1.00 3.92 H new ATOM 0 HZ3 LYS A 55 -4.936 -5.966 -14.074 1.00 3.92 H new ATOM 1042 N TRP A 56 2.134 -4.553 -11.995 1.00 0.68 N ATOM 1043 CA TRP A 56 2.897 -3.568 -12.759 1.00 0.82 C ATOM 1044 C TRP A 56 4.073 -4.200 -13.541 1.00 0.85 C ATOM 1045 O TRP A 56 4.043 -4.219 -14.770 1.00 1.06 O ATOM 1046 CB TRP A 56 3.307 -2.408 -11.833 1.00 0.91 C ATOM 1047 CG TRP A 56 3.221 -1.035 -12.421 1.00 1.15 C ATOM 1048 CD1 TRP A 56 2.083 -0.378 -12.732 1.00 1.35 C ATOM 1049 CD2 TRP A 56 4.317 -0.165 -12.851 1.00 1.28 C ATOM 1050 NE1 TRP A 56 2.394 0.821 -13.340 1.00 1.64 N ATOM 1051 CE2 TRP A 56 3.757 0.992 -13.467 1.00 1.61 C ATOM 1052 CE3 TRP A 56 5.728 -0.252 -12.828 1.00 1.26 C ATOM 1053 CZ2 TRP A 56 4.548 1.990 -14.058 1.00 1.87 C ATOM 1054 CZ3 TRP A 56 6.532 0.734 -13.435 1.00 1.53 C ATOM 1055 CH2 TRP A 56 5.945 1.852 -14.052 1.00 1.82 C ATOM 0 H TRP A 56 1.889 -4.246 -11.054 1.00 0.68 H new ATOM 0 HA TRP A 56 2.260 -3.152 -13.540 1.00 0.82 H new ATOM 0 HB2 TRP A 56 2.678 -2.440 -10.943 1.00 0.91 H new ATOM 0 HB3 TRP A 56 4.333 -2.577 -11.505 1.00 0.91 H new ATOM 0 HD1 TRP A 56 1.083 -0.736 -12.535 1.00 1.35 H new ATOM 0 HE1 TRP A 56 1.700 1.498 -13.657 1.00 1.64 H new ATOM 0 HE3 TRP A 56 6.199 -1.090 -12.336 1.00 1.26 H new ATOM 0 HZ2 TRP A 56 4.087 2.854 -14.512 1.00 1.87 H new ATOM 0 HZ3 TRP A 56 7.607 0.630 -13.426 1.00 1.53 H new ATOM 0 HH2 TRP A 56 6.566 2.602 -14.520 1.00 1.82 H new ATOM 1066 N LYS A 57 5.073 -4.793 -12.875 1.00 0.78 N ATOM 1067 CA LYS A 57 6.196 -5.432 -13.578 1.00 0.92 C ATOM 1068 C LYS A 57 5.774 -6.639 -14.422 1.00 1.04 C ATOM 1069 O LYS A 57 6.543 -7.060 -15.282 1.00 1.43 O ATOM 1070 CB LYS A 57 7.361 -5.810 -12.643 1.00 1.10 C ATOM 1071 CG LYS A 57 8.281 -4.618 -12.326 1.00 1.34 C ATOM 1072 CD LYS A 57 8.101 -4.085 -10.900 1.00 1.74 C ATOM 1073 CE LYS A 57 8.652 -5.014 -9.805 1.00 2.47 C ATOM 1074 NZ LYS A 57 10.093 -5.305 -9.971 1.00 2.48 N ATOM 0 H LYS A 57 5.128 -4.844 -11.858 1.00 0.78 H new ATOM 0 HA LYS A 57 6.558 -4.665 -14.262 1.00 0.92 H new ATOM 0 HB2 LYS A 57 6.959 -6.210 -11.712 1.00 1.10 H new ATOM 0 HB3 LYS A 57 7.948 -6.604 -13.104 1.00 1.10 H new ATOM 0 HG2 LYS A 57 9.319 -4.920 -12.467 1.00 1.34 H new ATOM 0 HG3 LYS A 57 8.083 -3.815 -13.036 1.00 1.34 H new ATOM 0 HD2 LYS A 57 8.595 -3.116 -10.821 1.00 1.74 H new ATOM 0 HD3 LYS A 57 7.039 -3.917 -10.718 1.00 1.74 H new ATOM 0 HE2 LYS A 57 8.489 -4.555 -8.830 1.00 2.47 H new ATOM 0 HE3 LYS A 57 8.094 -5.950 -9.814 1.00 2.47 H new ATOM 0 HZ1 LYS A 57 10.449 -5.791 -9.123 1.00 2.48 H new ATOM 0 HZ2 LYS A 57 10.231 -5.914 -10.802 1.00 2.48 H new ATOM 0 HZ3 LYS A 57 10.614 -4.415 -10.104 1.00 2.48 H new ATOM 1088 N LYS A 58 4.579 -7.196 -14.219 1.00 0.89 N ATOM 1089 CA LYS A 58 4.034 -8.212 -15.106 1.00 1.12 C ATOM 1090 C LYS A 58 3.094 -7.629 -16.170 1.00 1.28 C ATOM 1091 O LYS A 58 2.583 -8.408 -16.967 1.00 1.65 O ATOM 1092 CB LYS A 58 3.391 -9.336 -14.282 1.00 1.24 C ATOM 1093 CG LYS A 58 4.484 -10.152 -13.567 1.00 2.34 C ATOM 1094 CD LYS A 58 4.074 -11.602 -13.261 1.00 2.58 C ATOM 1095 CE LYS A 58 3.592 -12.414 -14.478 1.00 2.66 C ATOM 1096 NZ LYS A 58 4.343 -12.116 -15.718 1.00 3.56 N ATOM 0 H LYS A 58 3.969 -6.954 -13.438 1.00 0.89 H new ATOM 0 HA LYS A 58 4.857 -8.646 -15.674 1.00 1.12 H new ATOM 0 HB2 LYS A 58 2.702 -8.914 -13.550 1.00 1.24 H new ATOM 0 HB3 LYS A 58 2.806 -9.986 -14.932 1.00 1.24 H new ATOM 0 HG2 LYS A 58 5.381 -10.161 -14.186 1.00 2.34 H new ATOM 0 HG3 LYS A 58 4.745 -9.653 -12.634 1.00 2.34 H new ATOM 0 HD2 LYS A 58 4.924 -12.117 -12.813 1.00 2.58 H new ATOM 0 HD3 LYS A 58 3.280 -11.589 -12.514 1.00 2.58 H new ATOM 0 HE2 LYS A 58 3.681 -13.477 -14.255 1.00 2.66 H new ATOM 0 HE3 LYS A 58 2.534 -12.211 -14.645 1.00 2.66 H new ATOM 0 HZ1 LYS A 58 4.335 -12.951 -16.338 1.00 3.56 H new ATOM 0 HZ2 LYS A 58 3.897 -11.316 -16.210 1.00 3.56 H new ATOM 0 HZ3 LYS A 58 5.325 -11.872 -15.479 1.00 3.56 H new ATOM 1110 N GLU A 59 2.900 -6.304 -16.226 1.00 1.25 N ATOM 1111 CA GLU A 59 2.056 -5.596 -17.193 1.00 1.51 C ATOM 1112 C GLU A 59 2.755 -4.370 -17.818 1.00 1.63 C ATOM 1113 O GLU A 59 2.204 -3.729 -18.714 1.00 2.17 O ATOM 1114 CB GLU A 59 0.679 -5.289 -16.581 1.00 1.97 C ATOM 1115 CG GLU A 59 -0.086 -6.598 -16.312 1.00 2.85 C ATOM 1116 CD GLU A 59 -1.505 -6.371 -15.817 1.00 3.41 C ATOM 1117 OE1 GLU A 59 -1.962 -5.214 -15.684 1.00 3.66 O ATOM 1118 OE2 GLU A 59 -2.150 -7.378 -15.461 1.00 4.45 O ATOM 0 H GLU A 59 3.349 -5.669 -15.566 1.00 1.25 H new ATOM 0 HA GLU A 59 1.883 -6.259 -18.040 1.00 1.51 H new ATOM 0 HB2 GLU A 59 0.802 -4.733 -15.651 1.00 1.97 H new ATOM 0 HB3 GLU A 59 0.105 -4.656 -17.258 1.00 1.97 H new ATOM 0 HG2 GLU A 59 -0.118 -7.188 -17.228 1.00 2.85 H new ATOM 0 HG3 GLU A 59 0.460 -7.185 -15.574 1.00 2.85 H new ATOM 1125 N ASN A 60 4.032 -4.144 -17.495 1.00 1.91 N ATOM 1126 CA ASN A 60 4.880 -3.145 -18.143 1.00 2.77 C ATOM 1127 C ASN A 60 5.421 -3.645 -19.477 1.00 4.06 C ATOM 1128 O ASN A 60 6.622 -3.820 -19.643 1.00 5.13 O ATOM 1129 CB ASN A 60 6.052 -2.740 -17.240 1.00 3.46 C ATOM 1130 CG ASN A 60 5.642 -1.978 -15.992 1.00 2.90 C ATOM 1131 OD1 ASN A 60 6.151 -2.246 -14.910 1.00 3.88 O ATOM 1132 ND2 ASN A 60 4.750 -1.000 -16.130 1.00 2.36 N ATOM 0 H ASN A 60 4.513 -4.663 -16.760 1.00 1.91 H new ATOM 0 HA ASN A 60 4.251 -2.273 -18.326 1.00 2.77 H new ATOM 0 HB2 ASN A 60 6.594 -3.638 -16.942 1.00 3.46 H new ATOM 0 HB3 ASN A 60 6.744 -2.126 -17.816 1.00 3.46 H new ATOM 0 HD21 ASN A 60 4.470 -0.447 -15.320 1.00 2.36 H new ATOM 0 HD22 ASN A 60 4.346 -0.804 -17.046 1.00 2.36 H new ATOM 1139 N LYS A 61 4.513 -3.786 -20.455 1.00 4.61 N ATOM 1140 CA LYS A 61 4.845 -3.993 -21.872 1.00 6.16 C ATOM 1141 C LYS A 61 5.887 -5.114 -22.014 1.00 6.50 C ATOM 1142 O LYS A 61 6.905 -4.975 -22.685 1.00 7.18 O ATOM 1143 CB LYS A 61 5.243 -2.639 -22.513 1.00 6.86 C ATOM 1144 CG LYS A 61 5.656 -2.706 -24.001 1.00 7.89 C ATOM 1145 CD LYS A 61 7.157 -2.452 -24.253 1.00 8.52 C ATOM 1146 CE LYS A 61 7.515 -0.982 -24.532 1.00 9.73 C ATOM 1147 NZ LYS A 61 7.506 -0.153 -23.311 1.00 10.13 N ATOM 0 H LYS A 61 3.509 -3.759 -20.279 1.00 4.61 H new ATOM 0 HA LYS A 61 3.978 -4.342 -22.432 1.00 6.16 H new ATOM 0 HB2 LYS A 61 4.404 -1.950 -22.417 1.00 6.86 H new ATOM 0 HB3 LYS A 61 6.070 -2.215 -21.943 1.00 6.86 H new ATOM 0 HG2 LYS A 61 5.394 -3.688 -24.395 1.00 7.89 H new ATOM 0 HG3 LYS A 61 5.076 -1.972 -24.561 1.00 7.89 H new ATOM 0 HD2 LYS A 61 7.721 -2.792 -23.385 1.00 8.52 H new ATOM 0 HD3 LYS A 61 7.478 -3.059 -25.100 1.00 8.52 H new ATOM 0 HE2 LYS A 61 8.502 -0.934 -24.992 1.00 9.73 H new ATOM 0 HE3 LYS A 61 6.807 -0.570 -25.251 1.00 9.73 H new ATOM 0 HZ1 LYS A 61 7.754 0.827 -23.555 1.00 10.13 H new ATOM 0 HZ2 LYS A 61 6.558 -0.175 -22.884 1.00 10.13 H new ATOM 0 HZ3 LYS A 61 8.200 -0.527 -22.633 1.00 10.13 H new ATOM 1161 N THR A 62 5.617 -6.229 -21.335 1.00 6.47 N ATOM 1162 CA THR A 62 6.587 -7.293 -21.115 1.00 7.22 C ATOM 1163 C THR A 62 5.909 -8.659 -21.220 1.00 8.71 C ATOM 1164 O THR A 62 6.432 -9.559 -21.866 1.00 9.73 O ATOM 1165 CB THR A 62 7.305 -7.048 -19.776 1.00 6.87 C ATOM 1166 OG1 THR A 62 8.355 -7.971 -19.583 1.00 7.50 O ATOM 1167 CG2 THR A 62 6.380 -7.069 -18.552 1.00 6.71 C ATOM 0 H THR A 62 4.705 -6.418 -20.918 1.00 6.47 H new ATOM 0 HA THR A 62 7.353 -7.288 -21.890 1.00 7.22 H new ATOM 0 HB THR A 62 7.703 -6.036 -19.855 1.00 6.87 H new ATOM 0 HG1 THR A 62 8.795 -7.792 -18.726 1.00 7.50 H new ATOM 0 HG21 THR A 62 6.965 -6.888 -17.650 1.00 6.71 H new ATOM 0 HG22 THR A 62 5.623 -6.292 -18.655 1.00 6.71 H new ATOM 0 HG23 THR A 62 5.894 -8.042 -18.480 1.00 6.71 H new ATOM 1175 N LYS A 63 4.738 -8.808 -20.596 1.00 9.18 N ATOM 1176 CA LYS A 63 3.872 -9.959 -20.802 1.00 10.88 C ATOM 1177 C LYS A 63 3.392 -10.040 -22.255 1.00 12.00 C ATOM 1178 O LYS A 63 3.461 -9.059 -22.995 1.00 11.75 O ATOM 1179 CB LYS A 63 2.671 -9.881 -19.840 1.00 11.34 C ATOM 1180 CG LYS A 63 1.956 -8.514 -19.756 1.00 11.41 C ATOM 1181 CD LYS A 63 1.498 -7.928 -21.096 1.00 12.18 C ATOM 1182 CE LYS A 63 0.561 -6.725 -20.943 1.00 12.76 C ATOM 1183 NZ LYS A 63 0.149 -6.214 -22.267 1.00 13.87 N ATOM 0 H LYS A 63 4.367 -8.128 -19.932 1.00 9.18 H new ATOM 0 HA LYS A 63 4.443 -10.864 -20.593 1.00 10.88 H new ATOM 0 HB2 LYS A 63 1.941 -10.632 -20.141 1.00 11.34 H new ATOM 0 HB3 LYS A 63 3.013 -10.151 -18.841 1.00 11.34 H new ATOM 0 HG2 LYS A 63 1.086 -8.617 -19.108 1.00 11.41 H new ATOM 0 HG3 LYS A 63 2.627 -7.801 -19.277 1.00 11.41 H new ATOM 0 HD2 LYS A 63 2.374 -7.627 -21.671 1.00 12.18 H new ATOM 0 HD3 LYS A 63 0.991 -8.704 -21.670 1.00 12.18 H new ATOM 0 HE2 LYS A 63 -0.319 -7.014 -20.369 1.00 12.76 H new ATOM 0 HE3 LYS A 63 1.062 -5.936 -20.383 1.00 12.76 H new ATOM 0 HZ1 LYS A 63 -0.485 -5.399 -22.143 1.00 13.87 H new ATOM 0 HZ2 LYS A 63 0.990 -5.919 -22.802 1.00 13.87 H new ATOM 0 HZ3 LYS A 63 -0.348 -6.963 -22.789 1.00 13.87 H new ATOM 1197 N GLY A 64 2.794 -11.173 -22.619 1.00 13.63 N ATOM 1198 CA GLY A 64 2.081 -11.304 -23.873 1.00 15.10 C ATOM 1199 C GLY A 64 3.072 -11.489 -25.012 1.00 16.03 C ATOM 1200 O GLY A 64 3.494 -10.515 -25.632 1.00 16.03 O ATOM 0 H GLY A 64 2.794 -12.019 -22.050 1.00 13.63 H new ATOM 0 HA2 GLY A 64 1.401 -12.155 -23.828 1.00 15.10 H new ATOM 0 HA3 GLY A 64 1.471 -10.418 -24.050 1.00 15.10 H new ATOM 1204 N GLU A 65 3.413 -12.745 -25.283 1.00 17.08 N ATOM 1205 CA GLU A 65 4.326 -13.168 -26.325 1.00 18.42 C ATOM 1206 C GLU A 65 3.527 -13.647 -27.548 1.00 19.83 C ATOM 1207 O GLU A 65 3.170 -14.823 -27.610 1.00 20.81 O ATOM 1208 CB GLU A 65 5.219 -14.283 -25.756 1.00 19.21 C ATOM 1209 CG GLU A 65 6.246 -13.762 -24.734 1.00 18.42 C ATOM 1210 CD GLU A 65 5.775 -13.707 -23.278 1.00 18.15 C ATOM 1211 OE1 GLU A 65 4.555 -13.538 -23.036 1.00 18.43 O ATOM 1212 OE2 GLU A 65 6.663 -13.845 -22.410 1.00 17.88 O ATOM 0 H GLU A 65 3.038 -13.531 -24.752 1.00 17.08 H new ATOM 0 HA GLU A 65 4.958 -12.342 -26.651 1.00 18.42 H new ATOM 0 HB2 GLU A 65 4.592 -15.038 -25.282 1.00 19.21 H new ATOM 0 HB3 GLU A 65 5.745 -14.774 -26.575 1.00 19.21 H new ATOM 0 HG2 GLU A 65 7.132 -14.394 -24.785 1.00 18.42 H new ATOM 0 HG3 GLU A 65 6.552 -12.760 -25.034 1.00 18.42 H new ATOM 1219 N PRO A 66 3.224 -12.773 -28.527 1.00 20.17 N ATOM 1220 CA PRO A 66 2.554 -13.170 -29.759 1.00 21.74 C ATOM 1221 C PRO A 66 3.496 -13.922 -30.709 1.00 23.31 C ATOM 1222 O PRO A 66 3.046 -14.436 -31.731 1.00 24.57 O ATOM 1223 CB PRO A 66 2.056 -11.862 -30.383 1.00 21.64 C ATOM 1224 CG PRO A 66 3.082 -10.833 -29.914 1.00 20.57 C ATOM 1225 CD PRO A 66 3.458 -11.336 -28.524 1.00 19.36 C ATOM 0 HA PRO A 66 1.737 -13.864 -29.562 1.00 21.74 H new ATOM 0 HB2 PRO A 66 2.018 -11.925 -31.471 1.00 21.64 H new ATOM 0 HB3 PRO A 66 1.051 -11.611 -30.043 1.00 21.64 H new ATOM 0 HG2 PRO A 66 3.946 -10.793 -30.577 1.00 20.57 H new ATOM 0 HG3 PRO A 66 2.660 -9.829 -29.880 1.00 20.57 H new ATOM 0 HD2 PRO A 66 4.501 -11.113 -28.300 1.00 19.36 H new ATOM 0 HD3 PRO A 66 2.856 -10.847 -27.758 1.00 19.36 H new ATOM 1233 N GLY A 67 4.792 -13.974 -30.394 1.00 23.41 N ATOM 1234 CA GLY A 67 5.829 -14.660 -31.131 1.00 24.97 C ATOM 1235 C GLY A 67 7.112 -14.461 -30.328 1.00 24.67 C ATOM 1236 O GLY A 67 7.002 -13.934 -29.217 1.00 24.01 O ATOM 0 H GLY A 67 5.157 -13.506 -29.564 1.00 23.41 H new ATOM 0 HA2 GLY A 67 5.596 -15.719 -31.239 1.00 24.97 H new ATOM 0 HA3 GLY A 67 5.930 -14.251 -32.136 1.00 24.97 H new TER 1240 GLY A 67