USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 561 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 83 MET CE :methyl -160:sc= -0.902 (180deg=-2.15!) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -155:sc= 1.61 USER MOD Single : A 24 THR OG1 : rot 68:sc= 1.16 USER MOD Single : A 30 ASN : amide:sc= 0.925 X(o=0.93,f=0.87) USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 18:sc= 0.938 USER MOD Single : A 39 THR OG1 : rot 75:sc= 0.0683 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.264 X(o=-0.26,f=-0.19) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 53 SER OG : rot 88:sc= 1.23 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0296 X(o=-0.03,f=-0.03) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -170:sc= 0 (180deg=-0.086) USER MOD Single : A 69 THR OG1 : rot -71:sc= 1.18 USER MOD Single : A 82 ASN : amide:sc= -0.783 X(o=-0.78,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 29 N CYS A 16 1.854 -1.030 -3.980 1.00 1.23 N ATOM 30 CA CYS A 16 2.421 0.321 -4.072 1.00 1.16 C ATOM 31 C CYS A 16 3.472 0.427 -5.193 1.00 1.19 C ATOM 32 O CYS A 16 4.673 0.557 -4.943 1.00 1.08 O ATOM 33 CB CYS A 16 2.899 0.738 -2.676 1.00 1.15 C ATOM 34 SG CYS A 16 1.522 1.270 -1.626 1.00 1.24 S ATOM 0 HA CYS A 16 1.664 1.043 -4.378 1.00 1.16 H new ATOM 0 HB2 CYS A 16 3.415 -0.098 -2.203 1.00 1.15 H new ATOM 0 HB3 CYS A 16 3.622 1.549 -2.766 1.00 1.15 H new ATOM 39 N LEU A 17 3.026 0.329 -6.451 1.00 1.44 N ATOM 40 CA LEU A 17 3.907 0.295 -7.630 1.00 1.59 C ATOM 41 C LEU A 17 4.584 1.643 -7.921 1.00 1.55 C ATOM 42 O LEU A 17 5.735 1.676 -8.353 1.00 1.50 O ATOM 43 CB LEU A 17 3.127 -0.221 -8.862 1.00 2.07 C ATOM 44 CG LEU A 17 3.517 -1.630 -9.350 1.00 2.25 C ATOM 45 CD1 LEU A 17 4.970 -1.702 -9.821 1.00 2.64 C ATOM 46 CD2 LEU A 17 3.293 -2.687 -8.270 1.00 3.31 C ATOM 0 H LEU A 17 2.035 0.270 -6.684 1.00 1.44 H new ATOM 0 HA LEU A 17 4.717 -0.399 -7.404 1.00 1.59 H new ATOM 0 HB2 LEU A 17 2.063 -0.219 -8.624 1.00 2.07 H new ATOM 0 HB3 LEU A 17 3.271 0.482 -9.682 1.00 2.07 H new ATOM 0 HG LEU A 17 2.864 -1.838 -10.198 1.00 2.25 H new ATOM 0 HD11 LEU A 17 5.195 -2.715 -10.154 1.00 2.64 H new ATOM 0 HD12 LEU A 17 5.120 -1.007 -10.647 1.00 2.64 H new ATOM 0 HD13 LEU A 17 5.633 -1.436 -8.998 1.00 2.64 H new ATOM 0 HD21 LEU A 17 3.580 -3.666 -8.654 1.00 3.31 H new ATOM 0 HD22 LEU A 17 3.899 -2.448 -7.396 1.00 3.31 H new ATOM 0 HD23 LEU A 17 2.240 -2.702 -7.988 1.00 3.31 H new ATOM 58 N SER A 18 3.921 2.764 -7.652 1.00 1.68 N ATOM 59 CA SER A 18 4.524 4.103 -7.772 1.00 1.82 C ATOM 60 C SER A 18 5.612 4.343 -6.715 1.00 1.52 C ATOM 61 O SER A 18 6.682 4.868 -7.029 1.00 1.49 O ATOM 62 CB SER A 18 3.441 5.158 -7.597 1.00 2.21 C ATOM 63 OG SER A 18 2.446 5.061 -8.609 1.00 2.56 O ATOM 0 H SER A 18 2.949 2.778 -7.344 1.00 1.68 H new ATOM 0 HA SER A 18 4.984 4.169 -8.758 1.00 1.82 H new ATOM 0 HB2 SER A 18 2.977 5.044 -6.617 1.00 2.21 H new ATOM 0 HB3 SER A 18 3.891 6.150 -7.623 1.00 2.21 H new ATOM 0 HG SER A 18 1.765 5.751 -8.466 1.00 2.56 H new ATOM 69 N GLU A 19 5.386 3.885 -5.479 1.00 1.39 N ATOM 70 CA GLU A 19 6.386 3.861 -4.404 1.00 1.25 C ATOM 71 C GLU A 19 7.525 2.880 -4.738 1.00 0.92 C ATOM 72 O GLU A 19 8.684 3.116 -4.400 1.00 0.91 O ATOM 73 CB GLU A 19 5.695 3.449 -3.088 1.00 1.39 C ATOM 74 CG GLU A 19 6.352 3.997 -1.819 1.00 1.32 C ATOM 75 CD GLU A 19 6.117 5.503 -1.630 1.00 1.50 C ATOM 76 OE1 GLU A 19 4.977 5.947 -1.361 1.00 2.40 O ATOM 77 OE2 GLU A 19 7.099 6.278 -1.633 1.00 1.96 O ATOM 0 H GLU A 19 4.482 3.512 -5.191 1.00 1.39 H new ATOM 0 HA GLU A 19 6.822 4.854 -4.297 1.00 1.25 H new ATOM 0 HB2 GLU A 19 4.658 3.785 -3.118 1.00 1.39 H new ATOM 0 HB3 GLU A 19 5.676 2.361 -3.029 1.00 1.39 H new ATOM 0 HG2 GLU A 19 5.962 3.462 -0.953 1.00 1.32 H new ATOM 0 HG3 GLU A 19 7.424 3.803 -1.858 1.00 1.32 H new ATOM 84 N SER A 20 7.206 1.807 -5.473 1.00 0.80 N ATOM 85 CA SER A 20 8.203 0.834 -5.960 1.00 0.73 C ATOM 86 C SER A 20 9.095 1.435 -7.066 1.00 0.79 C ATOM 87 O SER A 20 10.310 1.215 -7.083 1.00 0.77 O ATOM 88 CB SER A 20 7.508 -0.462 -6.398 1.00 0.97 C ATOM 89 OG SER A 20 8.437 -1.513 -6.594 1.00 1.65 O ATOM 0 H SER A 20 6.249 1.585 -5.749 1.00 0.80 H new ATOM 0 HA SER A 20 8.875 0.585 -5.139 1.00 0.73 H new ATOM 0 HB2 SER A 20 6.779 -0.757 -5.644 1.00 0.97 H new ATOM 0 HB3 SER A 20 6.957 -0.286 -7.322 1.00 0.97 H new ATOM 0 HG SER A 20 7.961 -2.323 -6.871 1.00 1.65 H new ATOM 95 N ASP A 21 8.552 2.307 -7.921 1.00 0.93 N ATOM 96 CA ASP A 21 9.352 3.146 -8.825 1.00 0.98 C ATOM 97 C ASP A 21 10.168 4.204 -8.062 1.00 0.97 C ATOM 98 O ASP A 21 11.324 4.422 -8.413 1.00 1.01 O ATOM 99 CB ASP A 21 8.465 3.778 -9.906 1.00 1.23 C ATOM 100 CG ASP A 21 9.221 4.818 -10.740 1.00 1.40 C ATOM 101 OD1 ASP A 21 9.942 4.438 -11.696 1.00 2.57 O ATOM 102 OD2 ASP A 21 9.092 6.028 -10.432 1.00 2.06 O ATOM 0 H ASP A 21 7.546 2.453 -8.008 1.00 0.93 H new ATOM 0 HA ASP A 21 10.076 2.500 -9.322 1.00 0.98 H new ATOM 0 HB2 ASP A 21 8.083 2.996 -10.563 1.00 1.23 H new ATOM 0 HB3 ASP A 21 7.602 4.249 -9.436 1.00 1.23 H new ATOM 107 N ALA A 22 9.653 4.803 -6.981 1.00 1.05 N ATOM 108 CA ALA A 22 10.432 5.729 -6.151 1.00 1.17 C ATOM 109 C ALA A 22 11.624 5.019 -5.469 1.00 1.05 C ATOM 110 O ALA A 22 12.733 5.563 -5.426 1.00 1.19 O ATOM 111 CB ALA A 22 9.494 6.413 -5.150 1.00 1.33 C ATOM 0 H ALA A 22 8.695 4.661 -6.660 1.00 1.05 H new ATOM 0 HA ALA A 22 10.876 6.498 -6.782 1.00 1.17 H new ATOM 0 HB1 ALA A 22 10.065 7.103 -4.529 1.00 1.33 H new ATOM 0 HB2 ALA A 22 8.724 6.964 -5.691 1.00 1.33 H new ATOM 0 HB3 ALA A 22 9.025 5.659 -4.518 1.00 1.33 H new ATOM 117 N SER A 23 11.435 3.764 -5.043 1.00 0.85 N ATOM 118 CA SER A 23 12.524 2.876 -4.615 1.00 0.78 C ATOM 119 C SER A 23 13.499 2.583 -5.759 1.00 0.84 C ATOM 120 O SER A 23 14.709 2.689 -5.588 1.00 0.96 O ATOM 121 CB SER A 23 11.960 1.555 -4.091 1.00 0.65 C ATOM 122 OG SER A 23 12.977 0.874 -3.388 1.00 1.51 O ATOM 0 H SER A 23 10.513 3.332 -4.985 1.00 0.85 H new ATOM 0 HA SER A 23 13.065 3.391 -3.821 1.00 0.78 H new ATOM 0 HB2 SER A 23 11.108 1.741 -3.437 1.00 0.65 H new ATOM 0 HB3 SER A 23 11.599 0.944 -4.918 1.00 0.65 H new ATOM 0 HG SER A 23 12.791 -0.088 -3.394 1.00 1.51 H new ATOM 128 N THR A 24 12.994 2.307 -6.964 1.00 0.86 N ATOM 129 CA THR A 24 13.832 2.087 -8.159 1.00 1.03 C ATOM 130 C THR A 24 14.682 3.326 -8.484 1.00 1.22 C ATOM 131 O THR A 24 15.868 3.195 -8.780 1.00 1.36 O ATOM 132 CB THR A 24 12.979 1.674 -9.371 1.00 1.07 C ATOM 133 OG1 THR A 24 12.143 0.578 -9.054 1.00 1.04 O ATOM 134 CG2 THR A 24 13.840 1.208 -10.543 1.00 1.21 C ATOM 0 H THR A 24 11.993 2.228 -7.145 1.00 0.86 H new ATOM 0 HA THR A 24 14.512 1.266 -7.932 1.00 1.03 H new ATOM 0 HB THR A 24 12.403 2.560 -9.638 1.00 1.07 H new ATOM 0 HG1 THR A 24 11.460 0.863 -8.412 1.00 1.04 H new ATOM 0 HG21 THR A 24 13.197 0.926 -11.377 1.00 1.21 H new ATOM 0 HG22 THR A 24 14.502 2.017 -10.852 1.00 1.21 H new ATOM 0 HG23 THR A 24 14.436 0.348 -10.237 1.00 1.21 H new ATOM 142 N ARG A 25 14.128 4.537 -8.328 1.00 1.27 N ATOM 143 CA ARG A 25 14.858 5.815 -8.414 1.00 1.48 C ATOM 144 C ARG A 25 15.916 5.958 -7.307 1.00 1.50 C ATOM 145 O ARG A 25 17.029 6.379 -7.625 1.00 1.65 O ATOM 146 CB ARG A 25 13.861 6.995 -8.412 1.00 1.60 C ATOM 147 CG ARG A 25 13.401 7.510 -9.792 1.00 1.82 C ATOM 148 CD ARG A 25 12.783 6.480 -10.754 1.00 1.89 C ATOM 149 NE ARG A 25 13.789 5.876 -11.649 1.00 2.88 N ATOM 150 CZ ARG A 25 13.685 4.744 -12.321 1.00 4.34 C ATOM 151 NH1 ARG A 25 12.647 3.961 -12.273 1.00 5.01 N ATOM 152 NH2 ARG A 25 14.665 4.373 -13.085 1.00 5.76 N ATOM 0 H ARG A 25 13.134 4.660 -8.133 1.00 1.27 H new ATOM 0 HA ARG A 25 15.405 5.827 -9.357 1.00 1.48 H new ATOM 0 HB2 ARG A 25 12.978 6.694 -7.848 1.00 1.60 H new ATOM 0 HB3 ARG A 25 14.316 7.825 -7.872 1.00 1.60 H new ATOM 0 HG2 ARG A 25 12.671 8.303 -9.631 1.00 1.82 H new ATOM 0 HG3 ARG A 25 14.260 7.963 -10.287 1.00 1.82 H new ATOM 0 HD2 ARG A 25 12.295 5.695 -10.177 1.00 1.89 H new ATOM 0 HD3 ARG A 25 12.011 6.963 -11.353 1.00 1.89 H new ATOM 0 HE ARG A 25 14.663 6.391 -11.761 1.00 2.88 H new ATOM 0 HH11 ARG A 25 11.848 4.209 -11.690 1.00 5.01 H new ATOM 0 HH12 ARG A 25 12.632 3.099 -12.819 1.00 5.01 H new ATOM 0 HH21 ARG A 25 15.501 4.953 -13.160 1.00 5.76 H new ATOM 0 HH22 ARG A 25 14.600 3.501 -13.611 1.00 5.76 H new ATOM 166 N CYS A 26 15.635 5.558 -6.058 1.00 1.36 N ATOM 167 CA CYS A 26 16.656 5.477 -4.997 1.00 1.36 C ATOM 168 C CYS A 26 17.800 4.513 -5.366 1.00 1.36 C ATOM 169 O CYS A 26 18.976 4.835 -5.232 1.00 1.51 O ATOM 170 CB CYS A 26 16.041 5.054 -3.647 1.00 1.22 C ATOM 171 SG CYS A 26 17.323 4.740 -2.392 1.00 1.30 S ATOM 0 H CYS A 26 14.701 5.283 -5.754 1.00 1.36 H new ATOM 0 HA CYS A 26 17.070 6.480 -4.897 1.00 1.36 H new ATOM 0 HB2 CYS A 26 15.368 5.835 -3.293 1.00 1.22 H new ATOM 0 HB3 CYS A 26 15.440 4.155 -3.786 1.00 1.22 H new ATOM 176 N LEU A 27 17.472 3.323 -5.852 1.00 1.24 N ATOM 177 CA LEU A 27 18.437 2.283 -6.215 1.00 1.30 C ATOM 178 C LEU A 27 19.335 2.701 -7.389 1.00 1.56 C ATOM 179 O LEU A 27 20.540 2.456 -7.374 1.00 1.76 O ATOM 180 CB LEU A 27 17.621 1.014 -6.496 1.00 1.19 C ATOM 181 CG LEU A 27 17.434 0.151 -5.239 1.00 1.01 C ATOM 182 CD1 LEU A 27 17.058 0.853 -3.930 1.00 0.90 C ATOM 183 CD2 LEU A 27 16.387 -0.928 -5.509 1.00 0.96 C ATOM 0 H LEU A 27 16.504 3.043 -6.010 1.00 1.24 H new ATOM 0 HA LEU A 27 19.141 2.103 -5.403 1.00 1.30 H new ATOM 0 HB2 LEU A 27 16.644 1.293 -6.891 1.00 1.19 H new ATOM 0 HB3 LEU A 27 18.121 0.427 -7.266 1.00 1.19 H new ATOM 0 HG LEU A 27 18.437 -0.238 -5.065 1.00 1.01 H new ATOM 0 HD11 LEU A 27 16.962 0.113 -3.135 1.00 0.90 H new ATOM 0 HD12 LEU A 27 17.835 1.571 -3.666 1.00 0.90 H new ATOM 0 HD13 LEU A 27 16.110 1.375 -4.057 1.00 0.90 H new ATOM 0 HD21 LEU A 27 16.256 -1.539 -4.616 1.00 0.96 H new ATOM 0 HD22 LEU A 27 15.439 -0.458 -5.769 1.00 0.96 H new ATOM 0 HD23 LEU A 27 16.718 -1.558 -6.334 1.00 0.96 H new ATOM 195 N ASP A 28 18.746 3.391 -8.357 1.00 1.58 N ATOM 196 CA ASP A 28 19.434 4.091 -9.453 1.00 1.81 C ATOM 197 C ASP A 28 20.252 5.325 -8.999 1.00 1.99 C ATOM 198 O ASP A 28 21.257 5.660 -9.628 1.00 2.27 O ATOM 199 CB ASP A 28 18.388 4.471 -10.510 1.00 1.83 C ATOM 200 CG ASP A 28 18.995 5.204 -11.706 1.00 2.21 C ATOM 201 OD1 ASP A 28 19.748 4.574 -12.495 1.00 2.18 O ATOM 202 OD2 ASP A 28 18.684 6.410 -11.874 1.00 3.42 O ATOM 0 H ASP A 28 17.732 3.487 -8.409 1.00 1.58 H new ATOM 0 HA ASP A 28 20.176 3.411 -9.871 1.00 1.81 H new ATOM 0 HB2 ASP A 28 17.886 3.569 -10.859 1.00 1.83 H new ATOM 0 HB3 ASP A 28 17.627 5.102 -10.051 1.00 1.83 H new ATOM 207 N GLU A 29 19.887 5.988 -7.897 1.00 1.88 N ATOM 208 CA GLU A 29 20.723 6.976 -7.212 1.00 1.99 C ATOM 209 C GLU A 29 21.990 6.365 -6.586 1.00 1.94 C ATOM 210 O GLU A 29 23.089 6.870 -6.820 1.00 2.07 O ATOM 211 CB GLU A 29 19.892 7.681 -6.118 1.00 1.93 C ATOM 212 CG GLU A 29 19.511 9.104 -6.505 1.00 2.15 C ATOM 213 CD GLU A 29 19.052 9.890 -5.275 1.00 3.31 C ATOM 214 OE1 GLU A 29 19.914 10.288 -4.451 1.00 3.83 O ATOM 215 OE2 GLU A 29 17.832 10.128 -5.105 1.00 4.55 O ATOM 0 H GLU A 29 18.982 5.849 -7.447 1.00 1.88 H new ATOM 0 HA GLU A 29 21.056 7.691 -7.964 1.00 1.99 H new ATOM 0 HB2 GLU A 29 18.987 7.105 -5.925 1.00 1.93 H new ATOM 0 HB3 GLU A 29 20.461 7.700 -5.189 1.00 1.93 H new ATOM 0 HG2 GLU A 29 20.364 9.603 -6.965 1.00 2.15 H new ATOM 0 HG3 GLU A 29 18.715 9.084 -7.249 1.00 2.15 H new ATOM 222 N ASN A 30 21.860 5.299 -5.790 1.00 1.76 N ATOM 223 CA ASN A 30 22.919 4.745 -4.940 1.00 1.72 C ATOM 224 C ASN A 30 23.185 3.249 -5.226 1.00 1.66 C ATOM 225 O ASN A 30 22.717 2.382 -4.489 1.00 1.67 O ATOM 226 CB ASN A 30 22.591 5.073 -3.462 1.00 1.62 C ATOM 227 CG ASN A 30 21.142 4.865 -3.048 1.00 1.49 C ATOM 228 OD1 ASN A 30 20.441 5.789 -2.653 1.00 1.55 O ATOM 229 ND2 ASN A 30 20.641 3.659 -3.157 1.00 1.37 N ATOM 0 H ASN A 30 20.985 4.780 -5.717 1.00 1.76 H new ATOM 0 HA ASN A 30 23.872 5.218 -5.177 1.00 1.72 H new ATOM 0 HB2 ASN A 30 23.224 4.458 -2.823 1.00 1.62 H new ATOM 0 HB3 ASN A 30 22.859 6.112 -3.271 1.00 1.62 H new ATOM 0 HD21 ASN A 30 19.666 3.488 -2.913 1.00 1.37 H new ATOM 0 HD22 ASN A 30 21.226 2.891 -3.486 1.00 1.37 H new ATOM 236 N ASN A 31 23.921 2.955 -6.307 1.00 1.77 N ATOM 237 CA ASN A 31 24.509 1.656 -6.693 1.00 1.86 C ATOM 238 C ASN A 31 23.696 0.399 -6.294 1.00 1.71 C ATOM 239 O ASN A 31 24.224 -0.530 -5.673 1.00 1.73 O ATOM 240 CB ASN A 31 25.985 1.609 -6.236 1.00 1.98 C ATOM 241 CG ASN A 31 26.840 0.593 -6.989 1.00 2.31 C ATOM 242 OD1 ASN A 31 26.479 0.046 -8.025 1.00 2.88 O ATOM 243 ND2 ASN A 31 28.035 0.335 -6.517 1.00 2.81 N ATOM 0 H ASN A 31 24.141 3.677 -6.993 1.00 1.77 H new ATOM 0 HA ASN A 31 24.466 1.606 -7.781 1.00 1.86 H new ATOM 0 HB2 ASN A 31 26.424 2.599 -6.359 1.00 1.98 H new ATOM 0 HB3 ASN A 31 26.017 1.377 -5.172 1.00 1.98 H new ATOM 0 HD21 ASN A 31 28.649 -0.313 -7.011 1.00 2.81 H new ATOM 0 HD22 ASN A 31 28.351 0.782 -5.656 1.00 2.81 H new ATOM 250 N TYR A 32 22.397 0.387 -6.613 1.00 1.64 N ATOM 251 CA TYR A 32 21.445 -0.684 -6.306 1.00 1.55 C ATOM 252 C TYR A 32 21.362 -1.070 -4.810 1.00 1.37 C ATOM 253 O TYR A 32 21.240 -2.244 -4.461 1.00 1.51 O ATOM 254 CB TYR A 32 21.681 -1.864 -7.267 1.00 1.83 C ATOM 255 CG TYR A 32 20.648 -2.981 -7.297 1.00 1.69 C ATOM 256 CD1 TYR A 32 19.355 -2.807 -6.768 1.00 1.98 C ATOM 257 CD2 TYR A 32 20.999 -4.214 -7.876 1.00 2.89 C ATOM 258 CE1 TYR A 32 18.409 -3.841 -6.819 1.00 2.11 C ATOM 259 CE2 TYR A 32 20.058 -5.258 -7.936 1.00 3.28 C ATOM 260 CZ TYR A 32 18.756 -5.071 -7.421 1.00 2.39 C ATOM 261 OH TYR A 32 17.859 -6.080 -7.543 1.00 3.00 O ATOM 0 H TYR A 32 21.961 1.160 -7.116 1.00 1.64 H new ATOM 0 HA TYR A 32 20.440 -0.302 -6.485 1.00 1.55 H new ATOM 0 HB2 TYR A 32 21.765 -1.461 -8.276 1.00 1.83 H new ATOM 0 HB3 TYR A 32 22.645 -2.308 -7.020 1.00 1.83 H new ATOM 0 HD1 TYR A 32 19.088 -1.863 -6.316 1.00 1.98 H new ATOM 0 HD2 TYR A 32 21.992 -4.359 -8.275 1.00 2.89 H new ATOM 0 HE1 TYR A 32 17.423 -3.698 -6.401 1.00 2.11 H new ATOM 0 HE2 TYR A 32 20.332 -6.205 -8.377 1.00 3.28 H new ATOM 0 HH TYR A 32 18.285 -6.844 -7.985 1.00 3.00 H new ATOM 271 N ASP A 33 21.399 -0.097 -3.895 1.00 1.18 N ATOM 272 CA ASP A 33 21.401 -0.323 -2.442 1.00 1.08 C ATOM 273 C ASP A 33 19.998 -0.619 -1.866 1.00 0.91 C ATOM 274 O ASP A 33 19.429 0.108 -1.047 1.00 0.79 O ATOM 275 CB ASP A 33 22.168 0.776 -1.696 1.00 1.10 C ATOM 276 CG ASP A 33 22.731 0.292 -0.357 1.00 1.23 C ATOM 277 OD1 ASP A 33 22.265 -0.731 0.209 1.00 2.11 O ATOM 278 OD2 ASP A 33 23.693 0.940 0.116 1.00 2.26 O ATOM 0 H ASP A 33 21.429 0.891 -4.146 1.00 1.18 H new ATOM 0 HA ASP A 33 21.957 -1.244 -2.267 1.00 1.08 H new ATOM 0 HB2 ASP A 33 22.985 1.133 -2.322 1.00 1.10 H new ATOM 0 HB3 ASP A 33 21.505 1.624 -1.523 1.00 1.10 H new ATOM 283 N ARG A 34 19.448 -1.741 -2.332 1.00 1.02 N ATOM 284 CA ARG A 34 18.182 -2.371 -1.910 1.00 1.01 C ATOM 285 C ARG A 34 18.073 -2.638 -0.397 1.00 1.04 C ATOM 286 O ARG A 34 16.964 -2.819 0.108 1.00 1.05 O ATOM 287 CB ARG A 34 17.962 -3.636 -2.771 1.00 1.25 C ATOM 288 CG ARG A 34 18.816 -4.843 -2.337 1.00 1.76 C ATOM 289 CD ARG A 34 18.845 -5.973 -3.377 1.00 2.53 C ATOM 290 NE ARG A 34 17.548 -6.654 -3.540 1.00 2.94 N ATOM 291 CZ ARG A 34 17.285 -7.661 -4.354 1.00 3.89 C ATOM 292 NH1 ARG A 34 18.185 -8.191 -5.131 1.00 4.58 N ATOM 293 NH2 ARG A 34 16.082 -8.148 -4.394 1.00 4.98 N ATOM 0 H ARG A 34 19.904 -2.278 -3.069 1.00 1.02 H new ATOM 0 HA ARG A 34 17.373 -1.662 -2.085 1.00 1.01 H new ATOM 0 HB2 ARG A 34 16.909 -3.914 -2.728 1.00 1.25 H new ATOM 0 HB3 ARG A 34 18.187 -3.399 -3.811 1.00 1.25 H new ATOM 0 HG2 ARG A 34 19.836 -4.508 -2.146 1.00 1.76 H new ATOM 0 HG3 ARG A 34 18.428 -5.234 -1.397 1.00 1.76 H new ATOM 0 HD2 ARG A 34 19.155 -5.564 -4.338 1.00 2.53 H new ATOM 0 HD3 ARG A 34 19.597 -6.706 -3.085 1.00 2.53 H new ATOM 0 HE ARG A 34 16.776 -6.314 -2.967 1.00 2.94 H new ATOM 0 HH11 ARG A 34 19.139 -7.830 -5.127 1.00 4.58 H new ATOM 0 HH12 ARG A 34 17.936 -8.968 -5.744 1.00 4.58 H new ATOM 0 HH21 ARG A 34 15.352 -7.753 -3.801 1.00 4.98 H new ATOM 0 HH22 ARG A 34 15.867 -8.925 -5.018 1.00 4.98 H new ATOM 307 N GLU A 35 19.189 -2.630 0.332 1.00 1.13 N ATOM 308 CA GLU A 35 19.224 -2.705 1.801 1.00 1.25 C ATOM 309 C GLU A 35 19.080 -1.323 2.474 1.00 1.19 C ATOM 310 O GLU A 35 18.198 -1.162 3.321 1.00 1.31 O ATOM 311 CB GLU A 35 20.441 -3.507 2.297 1.00 1.46 C ATOM 312 CG GLU A 35 20.360 -4.982 1.857 1.00 1.62 C ATOM 313 CD GLU A 35 21.400 -5.857 2.569 1.00 1.99 C ATOM 314 OE1 GLU A 35 21.147 -6.268 3.727 1.00 2.69 O ATOM 315 OE2 GLU A 35 22.485 -6.118 1.994 1.00 2.91 O ATOM 0 H GLU A 35 20.117 -2.570 -0.087 1.00 1.13 H new ATOM 0 HA GLU A 35 18.342 -3.262 2.116 1.00 1.25 H new ATOM 0 HB2 GLU A 35 21.356 -3.060 1.909 1.00 1.46 H new ATOM 0 HB3 GLU A 35 20.496 -3.453 3.384 1.00 1.46 H new ATOM 0 HG2 GLU A 35 19.361 -5.367 2.064 1.00 1.62 H new ATOM 0 HG3 GLU A 35 20.510 -5.047 0.779 1.00 1.62 H new ATOM 322 N ARG A 36 19.827 -0.283 2.058 1.00 1.09 N ATOM 323 CA ARG A 36 19.625 1.096 2.574 1.00 1.10 C ATOM 324 C ARG A 36 18.232 1.656 2.250 1.00 0.97 C ATOM 325 O ARG A 36 17.628 2.315 3.098 1.00 1.21 O ATOM 326 CB ARG A 36 20.709 2.052 2.039 1.00 1.14 C ATOM 327 CG ARG A 36 21.885 2.304 2.998 1.00 1.43 C ATOM 328 CD ARG A 36 22.685 1.049 3.369 1.00 2.14 C ATOM 329 NE ARG A 36 23.937 1.396 4.071 1.00 2.31 N ATOM 330 CZ ARG A 36 25.033 1.868 3.503 1.00 2.82 C ATOM 331 NH1 ARG A 36 25.173 1.953 2.218 1.00 3.69 N ATOM 332 NH2 ARG A 36 26.053 2.281 4.191 1.00 3.20 N ATOM 0 H ARG A 36 20.575 -0.365 1.369 1.00 1.09 H new ATOM 0 HA ARG A 36 19.706 1.028 3.659 1.00 1.10 H new ATOM 0 HB2 ARG A 36 21.101 1.647 1.106 1.00 1.14 H new ATOM 0 HB3 ARG A 36 20.243 3.008 1.800 1.00 1.14 H new ATOM 0 HG2 ARG A 36 22.560 3.028 2.542 1.00 1.43 H new ATOM 0 HG3 ARG A 36 21.501 2.758 3.912 1.00 1.43 H new ATOM 0 HD2 ARG A 36 22.078 0.403 4.003 1.00 2.14 H new ATOM 0 HD3 ARG A 36 22.917 0.483 2.466 1.00 2.14 H new ATOM 0 HE ARG A 36 23.958 1.260 5.082 1.00 2.31 H new ATOM 0 HH11 ARG A 36 24.419 1.649 1.602 1.00 3.69 H new ATOM 0 HH12 ARG A 36 26.037 2.324 1.823 1.00 3.69 H new ATOM 0 HH21 ARG A 36 26.028 2.248 5.210 1.00 3.20 H new ATOM 0 HH22 ARG A 36 26.880 2.638 3.713 1.00 3.20 H new ATOM 346 N CYS A 37 17.694 1.346 1.069 1.00 0.73 N ATOM 347 CA CYS A 37 16.322 1.690 0.661 1.00 0.62 C ATOM 348 C CYS A 37 15.297 0.555 0.887 1.00 0.55 C ATOM 349 O CYS A 37 14.222 0.556 0.288 1.00 0.50 O ATOM 350 CB CYS A 37 16.329 2.319 -0.746 1.00 0.61 C ATOM 351 SG CYS A 37 16.415 4.132 -0.677 1.00 1.02 S ATOM 0 H CYS A 37 18.208 0.837 0.350 1.00 0.73 H new ATOM 0 HA CYS A 37 15.946 2.460 1.335 1.00 0.62 H new ATOM 0 HB2 CYS A 37 17.179 1.936 -1.310 1.00 0.61 H new ATOM 0 HB3 CYS A 37 15.429 2.018 -1.283 1.00 0.61 H new ATOM 356 N SER A 38 15.566 -0.382 1.811 1.00 0.69 N ATOM 357 CA SER A 38 14.554 -1.353 2.276 1.00 0.74 C ATOM 358 C SER A 38 13.317 -0.697 2.903 1.00 0.74 C ATOM 359 O SER A 38 12.250 -1.302 2.908 1.00 0.75 O ATOM 360 CB SER A 38 15.153 -2.336 3.283 1.00 0.93 C ATOM 361 OG SER A 38 15.993 -3.266 2.625 1.00 2.37 O ATOM 0 H SER A 38 16.478 -0.490 2.254 1.00 0.69 H new ATOM 0 HA SER A 38 14.232 -1.880 1.378 1.00 0.74 H new ATOM 0 HB2 SER A 38 15.722 -1.792 4.037 1.00 0.93 H new ATOM 0 HB3 SER A 38 14.355 -2.863 3.805 1.00 0.93 H new ATOM 0 HG SER A 38 16.229 -2.923 1.738 1.00 2.37 H new ATOM 367 N THR A 39 13.418 0.556 3.359 1.00 0.78 N ATOM 368 CA THR A 39 12.300 1.362 3.885 1.00 0.84 C ATOM 369 C THR A 39 11.092 1.388 2.944 1.00 0.76 C ATOM 370 O THR A 39 9.958 1.223 3.383 1.00 0.81 O ATOM 371 CB THR A 39 12.759 2.807 4.141 1.00 1.00 C ATOM 372 OG1 THR A 39 13.245 3.399 2.957 1.00 2.03 O ATOM 373 CG2 THR A 39 13.921 2.866 5.127 1.00 1.79 C ATOM 0 H THR A 39 14.306 1.057 3.375 1.00 0.78 H new ATOM 0 HA THR A 39 11.990 0.887 4.816 1.00 0.84 H new ATOM 0 HB THR A 39 11.884 3.328 4.530 1.00 1.00 H new ATOM 0 HG1 THR A 39 12.493 3.621 2.370 1.00 2.03 H new ATOM 0 HG21 THR A 39 14.215 3.904 5.281 1.00 1.79 H new ATOM 0 HG22 THR A 39 13.614 2.431 6.078 1.00 1.79 H new ATOM 0 HG23 THR A 39 14.766 2.305 4.728 1.00 1.79 H new ATOM 381 N TYR A 40 11.333 1.495 1.637 1.00 0.71 N ATOM 382 CA TYR A 40 10.290 1.490 0.605 1.00 0.69 C ATOM 383 C TYR A 40 9.597 0.122 0.491 1.00 0.65 C ATOM 384 O TYR A 40 8.373 0.041 0.427 1.00 0.73 O ATOM 385 CB TYR A 40 10.898 1.872 -0.751 1.00 0.65 C ATOM 386 CG TYR A 40 11.415 3.295 -0.888 1.00 0.75 C ATOM 387 CD1 TYR A 40 12.604 3.688 -0.244 1.00 1.83 C ATOM 388 CD2 TYR A 40 10.719 4.227 -1.684 1.00 2.20 C ATOM 389 CE1 TYR A 40 13.078 5.008 -0.365 1.00 1.84 C ATOM 390 CE2 TYR A 40 11.210 5.538 -1.839 1.00 2.34 C ATOM 391 CZ TYR A 40 12.393 5.935 -1.178 1.00 1.11 C ATOM 392 OH TYR A 40 12.868 7.202 -1.318 1.00 1.33 O ATOM 0 H TYR A 40 12.275 1.589 1.257 1.00 0.71 H new ATOM 0 HA TYR A 40 9.537 2.221 0.897 1.00 0.69 H new ATOM 0 HB2 TYR A 40 11.721 1.189 -0.960 1.00 0.65 H new ATOM 0 HB3 TYR A 40 10.144 1.708 -1.521 1.00 0.65 H new ATOM 0 HD1 TYR A 40 13.156 2.972 0.347 1.00 1.83 H new ATOM 0 HD2 TYR A 40 9.804 3.934 -2.178 1.00 2.20 H new ATOM 0 HE1 TYR A 40 13.968 5.312 0.166 1.00 1.84 H new ATOM 0 HE2 TYR A 40 10.681 6.241 -2.465 1.00 2.34 H new ATOM 0 HH TYR A 40 12.277 7.709 -1.913 1.00 1.33 H new ATOM 402 N PHE A 41 10.369 -0.968 0.499 1.00 0.58 N ATOM 403 CA PHE A 41 9.834 -2.333 0.381 1.00 0.61 C ATOM 404 C PHE A 41 9.110 -2.790 1.664 1.00 0.80 C ATOM 405 O PHE A 41 8.102 -3.503 1.592 1.00 0.91 O ATOM 406 CB PHE A 41 10.960 -3.280 -0.053 1.00 0.70 C ATOM 407 CG PHE A 41 11.621 -2.890 -1.371 1.00 2.25 C ATOM 408 CD1 PHE A 41 10.867 -2.854 -2.560 1.00 3.57 C ATOM 409 CD2 PHE A 41 12.985 -2.542 -1.410 1.00 3.67 C ATOM 410 CE1 PHE A 41 11.470 -2.481 -3.775 1.00 5.30 C ATOM 411 CE2 PHE A 41 13.589 -2.163 -2.624 1.00 5.50 C ATOM 412 CZ PHE A 41 12.832 -2.138 -3.809 1.00 6.10 C ATOM 0 H PHE A 41 11.385 -0.932 0.587 1.00 0.58 H new ATOM 0 HA PHE A 41 9.064 -2.351 -0.390 1.00 0.61 H new ATOM 0 HB2 PHE A 41 11.719 -3.308 0.729 1.00 0.70 H new ATOM 0 HB3 PHE A 41 10.558 -4.289 -0.144 1.00 0.70 H new ATOM 0 HD1 PHE A 41 9.819 -3.114 -2.539 1.00 3.57 H new ATOM 0 HD2 PHE A 41 13.571 -2.566 -0.503 1.00 3.67 H new ATOM 0 HE1 PHE A 41 10.885 -2.458 -4.683 1.00 5.30 H new ATOM 0 HE2 PHE A 41 14.634 -1.891 -2.645 1.00 5.50 H new ATOM 0 HZ PHE A 41 13.296 -1.856 -4.742 1.00 6.10 H new ATOM 422 N LEU A 42 9.539 -2.283 2.825 1.00 0.88 N ATOM 423 CA LEU A 42 8.795 -2.336 4.086 1.00 1.02 C ATOM 424 C LEU A 42 7.481 -1.554 4.004 1.00 1.05 C ATOM 425 O LEU A 42 6.422 -2.102 4.295 1.00 1.12 O ATOM 426 CB LEU A 42 9.722 -1.847 5.222 1.00 1.10 C ATOM 427 CG LEU A 42 9.036 -1.421 6.537 1.00 1.24 C ATOM 428 CD1 LEU A 42 8.241 -2.546 7.194 1.00 1.34 C ATOM 429 CD2 LEU A 42 10.092 -0.939 7.530 1.00 1.35 C ATOM 0 H LEU A 42 10.439 -1.811 2.915 1.00 0.88 H new ATOM 0 HA LEU A 42 8.498 -3.363 4.299 1.00 1.02 H new ATOM 0 HB2 LEU A 42 10.431 -2.643 5.450 1.00 1.10 H new ATOM 0 HB3 LEU A 42 10.300 -1.001 4.850 1.00 1.10 H new ATOM 0 HG LEU A 42 8.336 -0.627 6.277 1.00 1.24 H new ATOM 0 HD11 LEU A 42 7.784 -2.180 8.114 1.00 1.34 H new ATOM 0 HD12 LEU A 42 7.462 -2.887 6.512 1.00 1.34 H new ATOM 0 HD13 LEU A 42 8.909 -3.376 7.426 1.00 1.34 H new ATOM 0 HD21 LEU A 42 9.608 -0.638 8.459 1.00 1.35 H new ATOM 0 HD22 LEU A 42 10.796 -1.746 7.733 1.00 1.35 H new ATOM 0 HD23 LEU A 42 10.627 -0.088 7.108 1.00 1.35 H new ATOM 441 N ARG A 43 7.497 -0.311 3.519 1.00 1.02 N ATOM 442 CA ARG A 43 6.255 0.447 3.297 1.00 1.10 C ATOM 443 C ARG A 43 5.331 -0.227 2.284 1.00 1.13 C ATOM 444 O ARG A 43 4.118 -0.128 2.421 1.00 1.25 O ATOM 445 CB ARG A 43 6.582 1.887 2.909 1.00 1.10 C ATOM 446 CG ARG A 43 7.101 2.659 4.123 1.00 1.24 C ATOM 447 CD ARG A 43 7.570 4.081 3.780 1.00 1.32 C ATOM 448 NE ARG A 43 6.488 4.889 3.180 1.00 2.14 N ATOM 449 CZ ARG A 43 6.435 5.404 1.966 1.00 3.13 C ATOM 450 NH1 ARG A 43 7.441 5.398 1.139 1.00 3.53 N ATOM 451 NH2 ARG A 43 5.316 5.919 1.559 1.00 4.46 N ATOM 0 H ARG A 43 8.349 0.193 3.272 1.00 1.02 H new ATOM 0 HA ARG A 43 5.700 0.463 4.235 1.00 1.10 H new ATOM 0 HB2 ARG A 43 7.330 1.896 2.117 1.00 1.10 H new ATOM 0 HB3 ARG A 43 5.692 2.375 2.512 1.00 1.10 H new ATOM 0 HG2 ARG A 43 6.313 2.714 4.874 1.00 1.24 H new ATOM 0 HG3 ARG A 43 7.929 2.108 4.569 1.00 1.24 H new ATOM 0 HD2 ARG A 43 7.931 4.572 4.684 1.00 1.32 H new ATOM 0 HD3 ARG A 43 8.411 4.029 3.088 1.00 1.32 H new ATOM 0 HE ARG A 43 5.682 5.071 3.778 1.00 2.14 H new ATOM 0 HH11 ARG A 43 8.328 4.980 1.418 1.00 3.53 H new ATOM 0 HH12 ARG A 43 7.342 5.811 0.212 1.00 3.53 H new ATOM 0 HH21 ARG A 43 4.502 5.920 2.173 1.00 4.46 H new ATOM 0 HH22 ARG A 43 5.251 6.323 0.625 1.00 4.46 H new ATOM 465 N TYR A 44 5.876 -1.005 1.354 1.00 1.06 N ATOM 466 CA TYR A 44 5.084 -1.832 0.431 1.00 1.13 C ATOM 467 C TYR A 44 4.444 -3.038 1.151 1.00 1.21 C ATOM 468 O TYR A 44 3.255 -3.295 0.941 1.00 1.33 O ATOM 469 CB TYR A 44 5.932 -2.198 -0.798 1.00 1.03 C ATOM 470 CG TYR A 44 5.261 -3.080 -1.837 1.00 1.09 C ATOM 471 CD1 TYR A 44 5.036 -4.439 -1.552 1.00 2.37 C ATOM 472 CD2 TYR A 44 4.943 -2.574 -3.114 1.00 1.63 C ATOM 473 CE1 TYR A 44 4.482 -5.290 -2.523 1.00 2.43 C ATOM 474 CE2 TYR A 44 4.398 -3.427 -4.097 1.00 1.75 C ATOM 475 CZ TYR A 44 4.168 -4.790 -3.803 1.00 1.38 C ATOM 476 OH TYR A 44 3.668 -5.631 -4.750 1.00 1.56 O ATOM 0 H TYR A 44 6.883 -1.084 1.213 1.00 1.06 H new ATOM 0 HA TYR A 44 4.235 -1.257 0.061 1.00 1.13 H new ATOM 0 HB2 TYR A 44 6.247 -1.275 -1.284 1.00 1.03 H new ATOM 0 HB3 TYR A 44 6.835 -2.701 -0.453 1.00 1.03 H new ATOM 0 HD1 TYR A 44 5.291 -4.831 -0.579 1.00 2.37 H new ATOM 0 HD2 TYR A 44 5.117 -1.532 -3.340 1.00 1.63 H new ATOM 0 HE1 TYR A 44 4.297 -6.328 -2.289 1.00 2.43 H new ATOM 0 HE2 TYR A 44 4.156 -3.038 -5.075 1.00 1.75 H new ATOM 0 HH TYR A 44 3.503 -5.131 -5.577 1.00 1.56 H new ATOM 486 N LYS A 45 5.154 -3.717 2.072 1.00 1.18 N ATOM 487 CA LYS A 45 4.526 -4.675 3.016 1.00 1.24 C ATOM 488 C LYS A 45 3.396 -4.001 3.811 1.00 1.20 C ATOM 489 O LYS A 45 2.317 -4.573 3.948 1.00 1.25 O ATOM 490 CB LYS A 45 5.589 -5.301 3.950 1.00 1.25 C ATOM 491 CG LYS A 45 4.999 -6.263 5.002 1.00 2.23 C ATOM 492 CD LYS A 45 6.062 -6.745 6.003 1.00 2.44 C ATOM 493 CE LYS A 45 5.409 -7.612 7.089 1.00 4.14 C ATOM 494 NZ LYS A 45 6.368 -8.007 8.147 1.00 4.67 N ATOM 0 H LYS A 45 6.163 -3.623 2.186 1.00 1.18 H new ATOM 0 HA LYS A 45 4.079 -5.484 2.438 1.00 1.24 H new ATOM 0 HB2 LYS A 45 6.319 -5.840 3.346 1.00 1.25 H new ATOM 0 HB3 LYS A 45 6.126 -4.502 4.461 1.00 1.25 H new ATOM 0 HG2 LYS A 45 4.195 -5.762 5.541 1.00 2.23 H new ATOM 0 HG3 LYS A 45 4.558 -7.124 4.499 1.00 2.23 H new ATOM 0 HD2 LYS A 45 6.830 -7.317 5.483 1.00 2.44 H new ATOM 0 HD3 LYS A 45 6.558 -5.888 6.460 1.00 2.44 H new ATOM 0 HE2 LYS A 45 4.581 -7.064 7.539 1.00 4.14 H new ATOM 0 HE3 LYS A 45 4.988 -8.507 6.631 1.00 4.14 H new ATOM 0 HZ1 LYS A 45 5.881 -8.591 8.857 1.00 4.67 H new ATOM 0 HZ2 LYS A 45 7.146 -8.553 7.724 1.00 4.67 H new ATOM 0 HZ3 LYS A 45 6.752 -7.155 8.604 1.00 4.67 H new ATOM 508 N ASN A 46 3.596 -2.760 4.257 1.00 1.16 N ATOM 509 CA ASN A 46 2.582 -2.004 4.997 1.00 1.18 C ATOM 510 C ASN A 46 1.361 -1.662 4.115 1.00 1.21 C ATOM 511 O ASN A 46 0.233 -1.774 4.591 1.00 1.25 O ATOM 512 CB ASN A 46 3.208 -0.746 5.630 1.00 1.24 C ATOM 513 CG ASN A 46 4.428 -1.004 6.508 1.00 1.28 C ATOM 514 OD1 ASN A 46 4.651 -2.087 7.032 1.00 1.30 O ATOM 515 ND2 ASN A 46 5.247 0.004 6.706 1.00 1.34 N ATOM 0 H ASN A 46 4.467 -2.249 4.115 1.00 1.16 H new ATOM 0 HA ASN A 46 2.209 -2.636 5.803 1.00 1.18 H new ATOM 0 HB2 ASN A 46 3.492 -0.060 4.832 1.00 1.24 H new ATOM 0 HB3 ASN A 46 2.449 -0.243 6.228 1.00 1.24 H new ATOM 0 HD21 ASN A 46 6.070 -0.116 7.297 1.00 1.34 H new ATOM 0 HD22 ASN A 46 5.060 0.906 6.269 1.00 1.34 H new ATOM 522 N CYS A 47 1.555 -1.339 2.825 1.00 1.22 N ATOM 523 CA CYS A 47 0.464 -1.169 1.858 1.00 1.29 C ATOM 524 C CYS A 47 -0.383 -2.442 1.758 1.00 1.39 C ATOM 525 O CYS A 47 -1.608 -2.394 1.881 1.00 1.60 O ATOM 526 CB CYS A 47 1.012 -0.849 0.455 1.00 1.39 C ATOM 527 SG CYS A 47 1.978 0.663 0.259 1.00 1.70 S ATOM 0 H CYS A 47 2.481 -1.188 2.424 1.00 1.22 H new ATOM 0 HA CYS A 47 -0.149 -0.341 2.214 1.00 1.29 H new ATOM 0 HB2 CYS A 47 1.632 -1.687 0.138 1.00 1.39 H new ATOM 0 HB3 CYS A 47 0.167 -0.799 -0.232 1.00 1.39 H new ATOM 532 N ARG A 48 0.285 -3.587 1.566 1.00 1.29 N ATOM 533 CA ARG A 48 -0.349 -4.904 1.428 1.00 1.32 C ATOM 534 C ARG A 48 -1.141 -5.260 2.679 1.00 1.20 C ATOM 535 O ARG A 48 -2.331 -5.524 2.568 1.00 1.11 O ATOM 536 CB ARG A 48 0.728 -5.959 1.117 1.00 1.52 C ATOM 537 CG ARG A 48 1.334 -5.794 -0.287 1.00 1.23 C ATOM 538 CD ARG A 48 0.476 -6.460 -1.373 1.00 1.63 C ATOM 539 NE ARG A 48 0.550 -7.929 -1.268 1.00 2.43 N ATOM 540 CZ ARG A 48 0.275 -8.808 -2.211 1.00 3.33 C ATOM 541 NH1 ARG A 48 -0.312 -8.505 -3.325 1.00 3.86 N ATOM 542 NH2 ARG A 48 0.580 -10.056 -2.054 1.00 4.16 N ATOM 0 H ARG A 48 1.302 -3.624 1.501 1.00 1.29 H new ATOM 0 HA ARG A 48 -1.058 -4.878 0.601 1.00 1.32 H new ATOM 0 HB2 ARG A 48 1.522 -5.892 1.861 1.00 1.52 H new ATOM 0 HB3 ARG A 48 0.292 -6.954 1.205 1.00 1.52 H new ATOM 0 HG2 ARG A 48 1.441 -4.733 -0.512 1.00 1.23 H new ATOM 0 HG3 ARG A 48 2.335 -6.226 -0.302 1.00 1.23 H new ATOM 0 HD2 ARG A 48 -0.560 -6.135 -1.275 1.00 1.63 H new ATOM 0 HD3 ARG A 48 0.818 -6.143 -2.358 1.00 1.63 H new ATOM 0 HE ARG A 48 0.846 -8.306 -0.368 1.00 2.43 H new ATOM 0 HH11 ARG A 48 -0.588 -7.541 -3.510 1.00 3.86 H new ATOM 0 HH12 ARG A 48 -0.498 -9.231 -4.017 1.00 3.86 H new ATOM 0 HH21 ARG A 48 1.036 -10.365 -1.196 1.00 4.16 H new ATOM 0 HH22 ARG A 48 0.364 -10.730 -2.788 1.00 4.16 H new ATOM 556 N ARG A 49 -0.524 -5.176 3.862 1.00 1.20 N ATOM 557 CA ARG A 49 -1.161 -5.427 5.169 1.00 1.08 C ATOM 558 C ARG A 49 -2.381 -4.537 5.397 1.00 0.89 C ATOM 559 O ARG A 49 -3.416 -5.052 5.820 1.00 0.77 O ATOM 560 CB ARG A 49 -0.102 -5.184 6.260 1.00 1.07 C ATOM 561 CG ARG A 49 -0.610 -5.389 7.701 1.00 1.01 C ATOM 562 CD ARG A 49 0.387 -4.827 8.725 1.00 1.18 C ATOM 563 NE ARG A 49 0.406 -3.352 8.691 1.00 2.60 N ATOM 564 CZ ARG A 49 1.417 -2.542 8.941 1.00 3.78 C ATOM 565 NH1 ARG A 49 2.590 -2.944 9.331 1.00 3.80 N ATOM 566 NH2 ARG A 49 1.279 -1.263 8.778 1.00 5.62 N ATOM 0 H ARG A 49 0.461 -4.925 3.944 1.00 1.20 H new ATOM 0 HA ARG A 49 -1.523 -6.455 5.201 1.00 1.08 H new ATOM 0 HB2 ARG A 49 0.740 -5.854 6.086 1.00 1.07 H new ATOM 0 HB3 ARG A 49 0.275 -4.166 6.162 1.00 1.07 H new ATOM 0 HG2 ARG A 49 -1.576 -4.899 7.822 1.00 1.01 H new ATOM 0 HG3 ARG A 49 -0.767 -6.452 7.887 1.00 1.01 H new ATOM 0 HD2 ARG A 49 0.118 -5.168 9.725 1.00 1.18 H new ATOM 0 HD3 ARG A 49 1.385 -5.212 8.515 1.00 1.18 H new ATOM 0 HE ARG A 49 -0.475 -2.901 8.443 1.00 2.60 H new ATOM 0 HH11 ARG A 49 2.771 -3.939 9.461 1.00 3.80 H new ATOM 0 HH12 ARG A 49 3.330 -2.264 9.507 1.00 3.80 H new ATOM 0 HH21 ARG A 49 0.389 -0.883 8.456 1.00 5.62 H new ATOM 0 HH22 ARG A 49 2.061 -0.637 8.971 1.00 5.62 H new ATOM 580 N PHE A 50 -2.289 -3.238 5.102 1.00 0.91 N ATOM 581 CA PHE A 50 -3.413 -2.313 5.261 1.00 0.77 C ATOM 582 C PHE A 50 -4.606 -2.743 4.414 1.00 0.68 C ATOM 583 O PHE A 50 -5.680 -3.027 4.938 1.00 0.55 O ATOM 584 CB PHE A 50 -3.004 -0.891 4.865 1.00 0.85 C ATOM 585 CG PHE A 50 -4.149 0.098 5.002 1.00 0.73 C ATOM 586 CD1 PHE A 50 -4.588 0.508 6.275 1.00 1.80 C ATOM 587 CD2 PHE A 50 -4.833 0.544 3.854 1.00 1.82 C ATOM 588 CE1 PHE A 50 -5.702 1.360 6.397 1.00 1.70 C ATOM 589 CE2 PHE A 50 -5.948 1.392 3.974 1.00 1.89 C ATOM 590 CZ PHE A 50 -6.381 1.799 5.247 1.00 0.67 C ATOM 0 H PHE A 50 -1.438 -2.800 4.748 1.00 0.91 H new ATOM 0 HA PHE A 50 -3.701 -2.330 6.312 1.00 0.77 H new ATOM 0 HB2 PHE A 50 -2.171 -0.568 5.489 1.00 0.85 H new ATOM 0 HB3 PHE A 50 -2.649 -0.891 3.835 1.00 0.85 H new ATOM 0 HD1 PHE A 50 -4.069 0.168 7.159 1.00 1.80 H new ATOM 0 HD2 PHE A 50 -4.499 0.233 2.875 1.00 1.82 H new ATOM 0 HE1 PHE A 50 -6.035 1.676 7.374 1.00 1.70 H new ATOM 0 HE2 PHE A 50 -6.470 1.729 3.091 1.00 1.89 H new ATOM 0 HZ PHE A 50 -7.237 2.450 5.342 1.00 0.67 H new ATOM 600 N TRP A 51 -4.400 -2.839 3.103 1.00 0.76 N ATOM 601 CA TRP A 51 -5.489 -3.143 2.175 1.00 0.70 C ATOM 602 C TRP A 51 -6.025 -4.578 2.336 1.00 0.63 C ATOM 603 O TRP A 51 -7.236 -4.778 2.275 1.00 0.53 O ATOM 604 CB TRP A 51 -5.058 -2.779 0.752 1.00 0.82 C ATOM 605 CG TRP A 51 -4.955 -1.296 0.502 1.00 0.87 C ATOM 606 CD1 TRP A 51 -3.819 -0.580 0.315 1.00 0.98 C ATOM 607 CD2 TRP A 51 -6.041 -0.311 0.450 1.00 0.84 C ATOM 608 NE1 TRP A 51 -4.130 0.737 0.055 1.00 1.02 N ATOM 609 CE2 TRP A 51 -5.478 0.972 0.171 1.00 0.94 C ATOM 610 CE3 TRP A 51 -7.444 -0.364 0.614 1.00 0.77 C ATOM 611 CZ2 TRP A 51 -6.259 2.129 0.036 1.00 0.98 C ATOM 612 CZ3 TRP A 51 -8.237 0.799 0.508 1.00 0.85 C ATOM 613 CH2 TRP A 51 -7.647 2.044 0.217 1.00 0.95 C ATOM 0 H TRP A 51 -3.491 -2.711 2.659 1.00 0.76 H new ATOM 0 HA TRP A 51 -6.353 -2.524 2.418 1.00 0.70 H new ATOM 0 HB2 TRP A 51 -4.091 -3.239 0.547 1.00 0.82 H new ATOM 0 HB3 TRP A 51 -5.771 -3.207 0.047 1.00 0.82 H new ATOM 0 HD1 TRP A 51 -2.818 -0.982 0.363 1.00 0.98 H new ATOM 0 HE1 TRP A 51 -3.444 1.450 -0.193 1.00 1.02 H new ATOM 0 HE3 TRP A 51 -7.918 -1.311 0.824 1.00 0.77 H new ATOM 0 HZ2 TRP A 51 -5.797 3.075 -0.205 1.00 0.98 H new ATOM 0 HZ3 TRP A 51 -9.305 0.733 0.651 1.00 0.85 H new ATOM 0 HH2 TRP A 51 -8.260 2.929 0.134 1.00 0.95 H new ATOM 624 N ASN A 52 -5.180 -5.550 2.695 1.00 0.71 N ATOM 625 CA ASN A 52 -5.596 -6.883 3.136 1.00 0.69 C ATOM 626 C ASN A 52 -6.441 -6.837 4.427 1.00 0.59 C ATOM 627 O ASN A 52 -7.403 -7.592 4.564 1.00 0.58 O ATOM 628 CB ASN A 52 -4.321 -7.727 3.317 1.00 0.85 C ATOM 629 CG ASN A 52 -3.736 -8.263 2.014 1.00 1.08 C ATOM 630 OD1 ASN A 52 -4.214 -8.039 0.907 1.00 1.39 O ATOM 631 ND2 ASN A 52 -2.687 -9.041 2.106 1.00 1.50 N ATOM 0 H ASN A 52 -4.167 -5.428 2.687 1.00 0.71 H new ATOM 0 HA ASN A 52 -6.245 -7.334 2.385 1.00 0.69 H new ATOM 0 HB2 ASN A 52 -3.566 -7.122 3.819 1.00 0.85 H new ATOM 0 HB3 ASN A 52 -4.545 -8.567 3.974 1.00 0.85 H new ATOM 0 HD21 ASN A 52 -2.280 -9.450 1.265 1.00 1.50 H new ATOM 0 HD22 ASN A 52 -2.277 -9.238 3.019 1.00 1.50 H new ATOM 638 N SER A 53 -6.153 -5.920 5.355 1.00 0.55 N ATOM 639 CA SER A 53 -6.961 -5.725 6.566 1.00 0.49 C ATOM 640 C SER A 53 -8.294 -5.019 6.284 1.00 0.40 C ATOM 641 O SER A 53 -9.303 -5.381 6.884 1.00 0.52 O ATOM 642 CB SER A 53 -6.161 -4.994 7.648 1.00 0.59 C ATOM 643 OG SER A 53 -4.965 -5.708 7.906 1.00 1.36 O ATOM 0 H SER A 53 -5.353 -5.291 5.289 1.00 0.55 H new ATOM 0 HA SER A 53 -7.213 -6.718 6.938 1.00 0.49 H new ATOM 0 HB2 SER A 53 -5.930 -3.979 7.323 1.00 0.59 H new ATOM 0 HB3 SER A 53 -6.752 -4.910 8.560 1.00 0.59 H new ATOM 0 HG SER A 53 -4.264 -5.404 7.293 1.00 1.36 H new ATOM 649 N ILE A 54 -8.356 -4.099 5.310 1.00 0.36 N ATOM 650 CA ILE A 54 -9.623 -3.544 4.801 1.00 0.37 C ATOM 651 C ILE A 54 -10.480 -4.656 4.185 1.00 0.38 C ATOM 652 O ILE A 54 -11.672 -4.752 4.477 1.00 0.46 O ATOM 653 CB ILE A 54 -9.338 -2.405 3.794 1.00 0.46 C ATOM 654 CG1 ILE A 54 -8.626 -1.200 4.450 1.00 0.53 C ATOM 655 CG2 ILE A 54 -10.610 -1.936 3.065 1.00 0.55 C ATOM 656 CD1 ILE A 54 -9.418 -0.475 5.549 1.00 0.58 C ATOM 0 H ILE A 54 -7.529 -3.717 4.851 1.00 0.36 H new ATOM 0 HA ILE A 54 -10.190 -3.117 5.628 1.00 0.37 H new ATOM 0 HB ILE A 54 -8.662 -2.833 3.054 1.00 0.46 H new ATOM 0 HG12 ILE A 54 -7.684 -1.546 4.875 1.00 0.53 H new ATOM 0 HG13 ILE A 54 -8.379 -0.479 3.671 1.00 0.53 H new ATOM 0 HG21 ILE A 54 -10.357 -1.136 2.370 1.00 0.55 H new ATOM 0 HG22 ILE A 54 -11.043 -2.771 2.515 1.00 0.55 H new ATOM 0 HG23 ILE A 54 -11.332 -1.568 3.794 1.00 0.55 H new ATOM 0 HD11 ILE A 54 -8.825 0.352 5.939 1.00 0.58 H new ATOM 0 HD12 ILE A 54 -10.349 -0.090 5.133 1.00 0.58 H new ATOM 0 HD13 ILE A 54 -9.643 -1.173 6.356 1.00 0.58 H new ATOM 668 N VAL A 55 -9.865 -5.560 3.416 1.00 0.40 N ATOM 669 CA VAL A 55 -10.520 -6.770 2.894 1.00 0.49 C ATOM 670 C VAL A 55 -11.080 -7.630 4.032 1.00 0.58 C ATOM 671 O VAL A 55 -12.258 -7.978 3.984 1.00 0.65 O ATOM 672 CB VAL A 55 -9.555 -7.545 1.975 1.00 0.59 C ATOM 673 CG1 VAL A 55 -9.982 -8.987 1.679 1.00 0.74 C ATOM 674 CG2 VAL A 55 -9.413 -6.800 0.649 1.00 0.62 C ATOM 0 H VAL A 55 -8.889 -5.474 3.134 1.00 0.40 H new ATOM 0 HA VAL A 55 -11.376 -6.477 2.286 1.00 0.49 H new ATOM 0 HB VAL A 55 -8.611 -7.603 2.516 1.00 0.59 H new ATOM 0 HG11 VAL A 55 -9.247 -9.457 1.026 1.00 0.74 H new ATOM 0 HG12 VAL A 55 -10.048 -9.546 2.613 1.00 0.74 H new ATOM 0 HG13 VAL A 55 -10.955 -8.985 1.188 1.00 0.74 H new ATOM 0 HG21 VAL A 55 -8.731 -7.345 -0.004 1.00 0.62 H new ATOM 0 HG22 VAL A 55 -10.389 -6.721 0.170 1.00 0.62 H new ATOM 0 HG23 VAL A 55 -9.018 -5.801 0.833 1.00 0.62 H new ATOM 684 N MET A 56 -10.315 -7.907 5.098 1.00 0.62 N ATOM 685 CA MET A 56 -10.834 -8.630 6.275 1.00 0.77 C ATOM 686 C MET A 56 -12.003 -7.911 6.961 1.00 0.79 C ATOM 687 O MET A 56 -12.942 -8.561 7.424 1.00 0.94 O ATOM 688 CB MET A 56 -9.734 -8.854 7.326 1.00 0.88 C ATOM 689 CG MET A 56 -8.641 -9.832 6.903 1.00 1.01 C ATOM 690 SD MET A 56 -9.221 -11.490 6.438 1.00 1.41 S ATOM 691 CE MET A 56 -7.639 -12.227 5.947 1.00 1.83 C ATOM 0 H MET A 56 -9.333 -7.642 5.172 1.00 0.62 H new ATOM 0 HA MET A 56 -11.192 -9.583 5.885 1.00 0.77 H new ATOM 0 HB2 MET A 56 -9.274 -7.894 7.561 1.00 0.88 H new ATOM 0 HB3 MET A 56 -10.195 -9.220 8.243 1.00 0.88 H new ATOM 0 HG2 MET A 56 -8.100 -9.404 6.059 1.00 1.01 H new ATOM 0 HG3 MET A 56 -7.928 -9.931 7.721 1.00 1.01 H new ATOM 0 HE1 MET A 56 -7.801 -13.257 5.628 1.00 1.83 H new ATOM 0 HE2 MET A 56 -7.211 -11.655 5.124 1.00 1.83 H new ATOM 0 HE3 MET A 56 -6.953 -12.213 6.794 1.00 1.83 H new ATOM 701 N GLN A 57 -11.966 -6.580 7.044 1.00 0.70 N ATOM 702 CA GLN A 57 -13.004 -5.773 7.694 1.00 0.79 C ATOM 703 C GLN A 57 -14.288 -5.667 6.856 1.00 0.83 C ATOM 704 O GLN A 57 -15.361 -5.565 7.439 1.00 0.92 O ATOM 705 CB GLN A 57 -12.440 -4.386 8.039 1.00 0.74 C ATOM 706 CG GLN A 57 -11.436 -4.429 9.206 1.00 0.75 C ATOM 707 CD GLN A 57 -12.096 -4.665 10.561 1.00 1.54 C ATOM 708 OE1 GLN A 57 -12.910 -3.870 11.030 1.00 2.40 O ATOM 709 NE2 GLN A 57 -11.767 -5.737 11.245 1.00 1.88 N ATOM 0 H GLN A 57 -11.204 -6.023 6.657 1.00 0.70 H new ATOM 0 HA GLN A 57 -13.292 -6.281 8.614 1.00 0.79 H new ATOM 0 HB2 GLN A 57 -11.951 -3.967 7.159 1.00 0.74 H new ATOM 0 HB3 GLN A 57 -13.262 -3.717 8.296 1.00 0.74 H new ATOM 0 HG2 GLN A 57 -10.708 -5.219 9.021 1.00 0.75 H new ATOM 0 HG3 GLN A 57 -10.885 -3.489 9.237 1.00 0.75 H new ATOM 0 HE21 GLN A 57 -11.093 -6.400 10.862 1.00 1.88 H new ATOM 0 HE22 GLN A 57 -12.186 -5.907 12.160 1.00 1.88 H new ATOM 718 N ARG A 58 -14.211 -5.758 5.520 1.00 0.82 N ATOM 719 CA ARG A 58 -15.379 -5.782 4.607 1.00 0.99 C ATOM 720 C ARG A 58 -15.895 -7.202 4.327 1.00 1.07 C ATOM 721 O ARG A 58 -17.062 -7.401 3.990 1.00 1.23 O ATOM 722 CB ARG A 58 -15.042 -4.983 3.328 1.00 1.10 C ATOM 723 CG ARG A 58 -14.726 -3.513 3.669 1.00 1.34 C ATOM 724 CD ARG A 58 -14.288 -2.652 2.472 1.00 1.36 C ATOM 725 NE ARG A 58 -15.417 -2.058 1.730 1.00 1.10 N ATOM 726 CZ ARG A 58 -16.147 -1.015 2.093 1.00 1.60 C ATOM 727 NH1 ARG A 58 -15.990 -0.394 3.230 1.00 2.63 N ATOM 728 NH2 ARG A 58 -17.063 -0.548 1.299 1.00 1.86 N ATOM 0 H ARG A 58 -13.320 -5.819 5.027 1.00 0.82 H new ATOM 0 HA ARG A 58 -16.218 -5.292 5.101 1.00 0.99 H new ATOM 0 HB2 ARG A 58 -14.188 -5.436 2.825 1.00 1.10 H new ATOM 0 HB3 ARG A 58 -15.881 -5.028 2.634 1.00 1.10 H new ATOM 0 HG2 ARG A 58 -15.610 -3.061 4.119 1.00 1.34 H new ATOM 0 HG3 ARG A 58 -13.938 -3.491 4.422 1.00 1.34 H new ATOM 0 HD2 ARG A 58 -13.637 -1.853 2.828 1.00 1.36 H new ATOM 0 HD3 ARG A 58 -13.698 -3.265 1.791 1.00 1.36 H new ATOM 0 HE ARG A 58 -15.661 -2.498 0.843 1.00 1.10 H new ATOM 0 HH11 ARG A 58 -15.277 -0.708 3.888 1.00 2.63 H new ATOM 0 HH12 ARG A 58 -16.580 0.405 3.460 1.00 2.63 H new ATOM 0 HH21 ARG A 58 -17.222 -0.985 0.391 1.00 1.86 H new ATOM 0 HH22 ARG A 58 -17.623 0.256 1.583 1.00 1.86 H new ATOM 742 N ARG A 59 -15.054 -8.217 4.546 1.00 1.04 N ATOM 743 CA ARG A 59 -15.403 -9.649 4.454 1.00 1.19 C ATOM 744 C ARG A 59 -16.267 -10.147 5.615 1.00 1.42 C ATOM 745 O ARG A 59 -16.956 -11.157 5.447 1.00 1.50 O ATOM 746 CB ARG A 59 -14.112 -10.464 4.239 1.00 1.17 C ATOM 747 CG ARG A 59 -14.337 -11.977 4.091 1.00 1.36 C ATOM 748 CD ARG A 59 -13.122 -12.653 3.444 1.00 1.40 C ATOM 749 NE ARG A 59 -13.322 -14.109 3.360 1.00 1.81 N ATOM 750 CZ ARG A 59 -12.834 -14.944 2.464 1.00 2.20 C ATOM 751 NH1 ARG A 59 -11.938 -14.610 1.581 1.00 2.22 N ATOM 752 NH2 ARG A 59 -13.284 -16.157 2.457 1.00 2.85 N ATOM 0 H ARG A 59 -14.078 -8.066 4.801 1.00 1.04 H new ATOM 0 HA ARG A 59 -16.049 -9.796 3.589 1.00 1.19 H new ATOM 0 HB2 ARG A 59 -13.607 -10.094 3.346 1.00 1.17 H new ATOM 0 HB3 ARG A 59 -13.441 -10.289 5.080 1.00 1.17 H new ATOM 0 HG2 ARG A 59 -14.524 -12.418 5.070 1.00 1.36 H new ATOM 0 HG3 ARG A 59 -15.224 -12.159 3.485 1.00 1.36 H new ATOM 0 HD2 ARG A 59 -12.960 -12.245 2.446 1.00 1.40 H new ATOM 0 HD3 ARG A 59 -12.226 -12.437 4.026 1.00 1.40 H new ATOM 0 HE ARG A 59 -13.910 -14.522 4.084 1.00 1.81 H new ATOM 0 HH11 ARG A 59 -11.575 -13.657 1.558 1.00 2.22 H new ATOM 0 HH12 ARG A 59 -11.598 -15.301 0.912 1.00 2.22 H new ATOM 0 HH21 ARG A 59 -13.995 -16.441 3.131 1.00 2.85 H new ATOM 0 HH22 ARG A 59 -12.928 -16.829 1.777 1.00 2.85 H new ATOM 766 N LYS A 60 -16.342 -9.414 6.736 1.00 1.51 N ATOM 767 CA LYS A 60 -17.224 -9.737 7.878 1.00 1.70 C ATOM 768 C LYS A 60 -18.702 -9.910 7.495 1.00 1.75 C ATOM 769 O LYS A 60 -19.386 -10.706 8.132 1.00 1.86 O ATOM 770 CB LYS A 60 -17.048 -8.708 9.011 1.00 1.81 C ATOM 771 CG LYS A 60 -17.690 -7.348 8.712 1.00 1.81 C ATOM 772 CD LYS A 60 -17.312 -6.299 9.764 1.00 1.98 C ATOM 773 CE LYS A 60 -17.835 -4.925 9.330 1.00 2.08 C ATOM 774 NZ LYS A 60 -17.493 -3.877 10.316 1.00 2.42 N ATOM 0 H LYS A 60 -15.788 -8.570 6.881 1.00 1.51 H new ATOM 0 HA LYS A 60 -16.907 -10.715 8.240 1.00 1.70 H new ATOM 0 HB2 LYS A 60 -17.481 -9.111 9.927 1.00 1.81 H new ATOM 0 HB3 LYS A 60 -15.984 -8.565 9.198 1.00 1.81 H new ATOM 0 HG2 LYS A 60 -17.374 -7.005 7.727 1.00 1.81 H new ATOM 0 HG3 LYS A 60 -18.774 -7.457 8.680 1.00 1.81 H new ATOM 0 HD2 LYS A 60 -17.734 -6.571 10.732 1.00 1.98 H new ATOM 0 HD3 LYS A 60 -16.229 -6.265 9.886 1.00 1.98 H new ATOM 0 HE2 LYS A 60 -17.413 -4.664 8.359 1.00 2.08 H new ATOM 0 HE3 LYS A 60 -18.917 -4.969 9.206 1.00 2.08 H new ATOM 0 HZ1 LYS A 60 -17.862 -2.961 9.991 1.00 2.42 H new ATOM 0 HZ2 LYS A 60 -17.917 -4.114 11.236 1.00 2.42 H new ATOM 0 HZ3 LYS A 60 -16.459 -3.818 10.416 1.00 2.42 H new ATOM 788 N ASN A 61 -19.190 -9.235 6.445 1.00 1.69 N ATOM 789 CA ASN A 61 -20.555 -9.430 5.923 1.00 1.73 C ATOM 790 C ASN A 61 -20.658 -10.352 4.686 1.00 1.64 C ATOM 791 O ASN A 61 -21.772 -10.696 4.301 1.00 1.76 O ATOM 792 CB ASN A 61 -21.207 -8.059 5.681 1.00 1.91 C ATOM 793 CG ASN A 61 -21.731 -7.434 6.961 1.00 2.23 C ATOM 794 OD1 ASN A 61 -22.783 -7.801 7.470 1.00 2.44 O ATOM 795 ND2 ASN A 61 -21.031 -6.481 7.516 1.00 2.46 N ATOM 0 H ASN A 61 -18.651 -8.537 5.932 1.00 1.69 H new ATOM 0 HA ASN A 61 -21.108 -9.973 6.689 1.00 1.73 H new ATOM 0 HB2 ASN A 61 -20.479 -7.389 5.224 1.00 1.91 H new ATOM 0 HB3 ASN A 61 -22.027 -8.170 4.972 1.00 1.91 H new ATOM 0 HD21 ASN A 61 -21.360 -6.041 8.375 1.00 2.46 H new ATOM 0 HD22 ASN A 61 -20.155 -6.177 7.090 1.00 2.46 H new ATOM 802 N GLY A 62 -19.546 -10.758 4.061 1.00 1.50 N ATOM 803 CA GLY A 62 -19.492 -11.860 3.078 1.00 1.43 C ATOM 804 C GLY A 62 -20.101 -11.609 1.685 1.00 1.42 C ATOM 805 O GLY A 62 -20.141 -12.520 0.863 1.00 1.45 O ATOM 0 H GLY A 62 -18.637 -10.324 4.224 1.00 1.50 H new ATOM 0 HA2 GLY A 62 -18.447 -12.137 2.942 1.00 1.43 H new ATOM 0 HA3 GLY A 62 -19.996 -12.723 3.514 1.00 1.43 H new ATOM 809 N VAL A 63 -20.569 -10.392 1.403 1.00 1.46 N ATOM 810 CA VAL A 63 -21.704 -10.146 0.475 1.00 1.58 C ATOM 811 C VAL A 63 -21.351 -9.475 -0.869 1.00 1.46 C ATOM 812 O VAL A 63 -22.057 -9.649 -1.869 1.00 1.74 O ATOM 813 CB VAL A 63 -22.797 -9.375 1.253 1.00 1.84 C ATOM 814 CG1 VAL A 63 -22.280 -8.059 1.862 1.00 1.81 C ATOM 815 CG2 VAL A 63 -24.050 -9.084 0.423 1.00 2.10 C ATOM 0 H VAL A 63 -20.180 -9.540 1.806 1.00 1.46 H new ATOM 0 HA VAL A 63 -22.067 -11.121 0.150 1.00 1.58 H new ATOM 0 HB VAL A 63 -23.075 -10.054 2.059 1.00 1.84 H new ATOM 0 HG11 VAL A 63 -23.090 -7.562 2.395 1.00 1.81 H new ATOM 0 HG12 VAL A 63 -21.467 -8.274 2.556 1.00 1.81 H new ATOM 0 HG13 VAL A 63 -21.916 -7.408 1.067 1.00 1.81 H new ATOM 0 HG21 VAL A 63 -24.772 -8.542 1.033 1.00 2.10 H new ATOM 0 HG22 VAL A 63 -23.780 -8.480 -0.443 1.00 2.10 H new ATOM 0 HG23 VAL A 63 -24.491 -10.023 0.088 1.00 2.10 H new ATOM 825 N LYS A 64 -20.252 -8.719 -0.920 1.00 1.28 N ATOM 826 CA LYS A 64 -19.806 -7.871 -2.043 1.00 1.30 C ATOM 827 C LYS A 64 -18.338 -8.144 -2.416 1.00 1.12 C ATOM 828 O LYS A 64 -17.679 -8.884 -1.678 1.00 1.05 O ATOM 829 CB LYS A 64 -20.049 -6.412 -1.614 1.00 1.55 C ATOM 830 CG LYS A 64 -19.265 -5.975 -0.359 1.00 1.61 C ATOM 831 CD LYS A 64 -18.642 -4.578 -0.493 1.00 1.84 C ATOM 832 CE LYS A 64 -19.592 -3.445 -0.920 1.00 2.39 C ATOM 833 NZ LYS A 64 -20.694 -3.214 0.043 1.00 2.61 N ATOM 0 H LYS A 64 -19.605 -8.675 -0.132 1.00 1.28 H new ATOM 0 HA LYS A 64 -20.368 -8.094 -2.950 1.00 1.30 H new ATOM 0 HB2 LYS A 64 -19.782 -5.754 -2.441 1.00 1.55 H new ATOM 0 HB3 LYS A 64 -21.114 -6.274 -1.428 1.00 1.55 H new ATOM 0 HG2 LYS A 64 -19.933 -5.987 0.502 1.00 1.61 H new ATOM 0 HG3 LYS A 64 -18.476 -6.700 -0.160 1.00 1.61 H new ATOM 0 HD2 LYS A 64 -18.197 -4.309 0.465 1.00 1.84 H new ATOM 0 HD3 LYS A 64 -17.829 -4.634 -1.217 1.00 1.84 H new ATOM 0 HE2 LYS A 64 -19.020 -2.524 -1.036 1.00 2.39 H new ATOM 0 HE3 LYS A 64 -20.015 -3.682 -1.896 1.00 2.39 H new ATOM 0 HZ1 LYS A 64 -21.298 -2.440 -0.300 1.00 2.61 H new ATOM 0 HZ2 LYS A 64 -21.261 -4.081 0.136 1.00 2.61 H new ATOM 0 HZ3 LYS A 64 -20.297 -2.959 0.970 1.00 2.61 H new ATOM 847 N PRO A 65 -17.782 -7.561 -3.496 1.00 1.18 N ATOM 848 CA PRO A 65 -16.336 -7.580 -3.704 1.00 1.11 C ATOM 849 C PRO A 65 -15.602 -6.841 -2.572 1.00 0.93 C ATOM 850 O PRO A 65 -15.802 -5.646 -2.339 1.00 1.00 O ATOM 851 CB PRO A 65 -16.107 -6.957 -5.084 1.00 1.38 C ATOM 852 CG PRO A 65 -17.330 -6.065 -5.289 1.00 1.54 C ATOM 853 CD PRO A 65 -18.434 -6.874 -4.610 1.00 1.44 C ATOM 0 HA PRO A 65 -15.928 -8.591 -3.678 1.00 1.11 H new ATOM 0 HB2 PRO A 65 -15.182 -6.381 -5.114 1.00 1.38 H new ATOM 0 HB3 PRO A 65 -16.033 -7.719 -5.860 1.00 1.38 H new ATOM 0 HG2 PRO A 65 -17.201 -5.085 -4.829 1.00 1.54 H new ATOM 0 HG3 PRO A 65 -17.539 -5.897 -6.345 1.00 1.54 H new ATOM 0 HD2 PRO A 65 -19.236 -6.226 -4.257 1.00 1.44 H new ATOM 0 HD3 PRO A 65 -18.882 -7.586 -5.303 1.00 1.44 H new ATOM 861 N PHE A 66 -14.770 -7.581 -1.838 1.00 0.83 N ATOM 862 CA PHE A 66 -14.099 -7.109 -0.621 1.00 0.71 C ATOM 863 C PHE A 66 -12.943 -6.157 -0.910 1.00 0.62 C ATOM 864 O PHE A 66 -12.785 -5.158 -0.215 1.00 0.58 O ATOM 865 CB PHE A 66 -13.563 -8.310 0.160 1.00 0.83 C ATOM 866 CG PHE A 66 -14.579 -9.385 0.489 1.00 0.95 C ATOM 867 CD1 PHE A 66 -15.869 -9.049 0.944 1.00 2.47 C ATOM 868 CD2 PHE A 66 -14.231 -10.735 0.306 1.00 1.64 C ATOM 869 CE1 PHE A 66 -16.811 -10.060 1.191 1.00 2.60 C ATOM 870 CE2 PHE A 66 -15.164 -11.746 0.583 1.00 1.63 C ATOM 871 CZ PHE A 66 -16.457 -11.409 1.017 1.00 1.23 C ATOM 0 H PHE A 66 -14.537 -8.545 -2.076 1.00 0.83 H new ATOM 0 HA PHE A 66 -14.841 -6.559 -0.042 1.00 0.71 H new ATOM 0 HB2 PHE A 66 -12.755 -8.763 -0.415 1.00 0.83 H new ATOM 0 HB3 PHE A 66 -13.128 -7.949 1.092 1.00 0.83 H new ATOM 0 HD1 PHE A 66 -16.133 -8.014 1.103 1.00 2.47 H new ATOM 0 HD2 PHE A 66 -13.244 -10.994 -0.048 1.00 1.64 H new ATOM 0 HE1 PHE A 66 -17.808 -9.801 1.515 1.00 2.60 H new ATOM 0 HE2 PHE A 66 -14.888 -12.783 0.463 1.00 1.63 H new ATOM 0 HZ PHE A 66 -17.179 -12.187 1.217 1.00 1.23 H new ATOM 881 N MET A 67 -12.157 -6.471 -1.944 1.00 0.71 N ATOM 882 CA MET A 67 -11.219 -5.537 -2.568 1.00 0.77 C ATOM 883 C MET A 67 -11.981 -4.280 -3.041 1.00 0.79 C ATOM 884 O MET A 67 -12.769 -4.371 -3.992 1.00 0.89 O ATOM 885 CB MET A 67 -10.497 -6.224 -3.741 1.00 0.98 C ATOM 886 CG MET A 67 -9.271 -7.011 -3.267 1.00 1.03 C ATOM 887 SD MET A 67 -7.968 -5.948 -2.580 1.00 0.99 S ATOM 888 CE MET A 67 -6.714 -7.186 -2.174 1.00 1.07 C ATOM 0 H MET A 67 -12.155 -7.395 -2.376 1.00 0.71 H new ATOM 0 HA MET A 67 -10.466 -5.231 -1.842 1.00 0.77 H new ATOM 0 HB2 MET A 67 -11.187 -6.897 -4.250 1.00 0.98 H new ATOM 0 HB3 MET A 67 -10.189 -5.473 -4.469 1.00 0.98 H new ATOM 0 HG2 MET A 67 -9.580 -7.733 -2.511 1.00 1.03 H new ATOM 0 HG3 MET A 67 -8.865 -7.579 -4.104 1.00 1.03 H new ATOM 0 HE1 MET A 67 -5.924 -6.723 -1.582 1.00 1.07 H new ATOM 0 HE2 MET A 67 -7.171 -7.993 -1.601 1.00 1.07 H new ATOM 0 HE3 MET A 67 -6.290 -7.589 -3.094 1.00 1.07 H new ATOM 898 N PRO A 68 -11.793 -3.117 -2.390 1.00 0.75 N ATOM 899 CA PRO A 68 -12.659 -1.952 -2.567 1.00 0.79 C ATOM 900 C PRO A 68 -12.517 -1.315 -3.955 1.00 0.95 C ATOM 901 O PRO A 68 -11.437 -1.337 -4.553 1.00 1.07 O ATOM 902 CB PRO A 68 -12.284 -0.992 -1.430 1.00 0.73 C ATOM 903 CG PRO A 68 -10.838 -1.360 -1.101 1.00 0.70 C ATOM 904 CD PRO A 68 -10.806 -2.862 -1.347 1.00 0.69 C ATOM 0 HA PRO A 68 -13.712 -2.229 -2.518 1.00 0.79 H new ATOM 0 HB2 PRO A 68 -12.371 0.049 -1.741 1.00 0.73 H new ATOM 0 HB3 PRO A 68 -12.936 -1.122 -0.566 1.00 0.73 H new ATOM 0 HG2 PRO A 68 -10.131 -0.831 -1.740 1.00 0.70 H new ATOM 0 HG3 PRO A 68 -10.583 -1.114 -0.070 1.00 0.70 H new ATOM 0 HD2 PRO A 68 -9.814 -3.185 -1.661 1.00 0.69 H new ATOM 0 HD3 PRO A 68 -11.048 -3.412 -0.438 1.00 0.69 H new ATOM 912 N THR A 69 -13.602 -0.736 -4.470 1.00 1.03 N ATOM 913 CA THR A 69 -13.634 0.063 -5.707 1.00 1.20 C ATOM 914 C THR A 69 -13.145 1.490 -5.460 1.00 1.22 C ATOM 915 O THR A 69 -12.999 1.922 -4.320 1.00 1.10 O ATOM 916 CB THR A 69 -15.037 0.067 -6.347 1.00 1.33 C ATOM 917 OG1 THR A 69 -15.989 0.668 -5.497 1.00 1.34 O ATOM 918 CG2 THR A 69 -15.537 -1.338 -6.683 1.00 1.38 C ATOM 0 H THR A 69 -14.517 -0.810 -4.026 1.00 1.03 H new ATOM 0 HA THR A 69 -12.951 -0.410 -6.412 1.00 1.20 H new ATOM 0 HB THR A 69 -14.931 0.639 -7.268 1.00 1.33 H new ATOM 0 HG1 THR A 69 -16.165 0.078 -4.735 1.00 1.34 H new ATOM 0 HG21 THR A 69 -16.529 -1.274 -7.131 1.00 1.38 H new ATOM 0 HG22 THR A 69 -14.851 -1.810 -7.387 1.00 1.38 H new ATOM 0 HG23 THR A 69 -15.588 -1.934 -5.772 1.00 1.38 H new ATOM 926 N ALA A 70 -12.864 2.245 -6.518 1.00 1.39 N ATOM 927 CA ALA A 70 -12.147 3.524 -6.452 1.00 1.48 C ATOM 928 C ALA A 70 -12.798 4.586 -5.532 1.00 1.47 C ATOM 929 O ALA A 70 -12.083 5.322 -4.848 1.00 1.44 O ATOM 930 CB ALA A 70 -11.977 4.033 -7.885 1.00 1.74 C ATOM 0 H ALA A 70 -13.132 1.983 -7.467 1.00 1.39 H new ATOM 0 HA ALA A 70 -11.180 3.346 -5.982 1.00 1.48 H new ATOM 0 HB1 ALA A 70 -11.446 4.985 -7.872 1.00 1.74 H new ATOM 0 HB2 ALA A 70 -11.406 3.307 -8.464 1.00 1.74 H new ATOM 0 HB3 ALA A 70 -12.957 4.170 -8.341 1.00 1.74 H new ATOM 936 N ALA A 71 -14.131 4.630 -5.443 1.00 1.50 N ATOM 937 CA ALA A 71 -14.854 5.522 -4.528 1.00 1.52 C ATOM 938 C ALA A 71 -14.771 5.071 -3.051 1.00 1.36 C ATOM 939 O ALA A 71 -14.712 5.900 -2.136 1.00 1.37 O ATOM 940 CB ALA A 71 -16.308 5.593 -5.011 1.00 1.67 C ATOM 0 H ALA A 71 -14.745 4.043 -6.008 1.00 1.50 H new ATOM 0 HA ALA A 71 -14.389 6.508 -4.548 1.00 1.52 H new ATOM 0 HB1 ALA A 71 -16.878 6.249 -4.353 1.00 1.67 H new ATOM 0 HB2 ALA A 71 -16.335 5.986 -6.027 1.00 1.67 H new ATOM 0 HB3 ALA A 71 -16.746 4.595 -4.996 1.00 1.67 H new ATOM 946 N GLU A 72 -14.736 3.755 -2.819 1.00 1.23 N ATOM 947 CA GLU A 72 -14.556 3.127 -1.517 1.00 1.08 C ATOM 948 C GLU A 72 -13.114 3.378 -1.062 1.00 0.99 C ATOM 949 O GLU A 72 -12.889 3.921 0.013 1.00 0.97 O ATOM 950 CB GLU A 72 -14.907 1.627 -1.597 1.00 1.00 C ATOM 951 CG GLU A 72 -16.347 1.378 -2.076 1.00 1.21 C ATOM 952 CD GLU A 72 -16.647 -0.116 -2.263 1.00 1.81 C ATOM 953 OE1 GLU A 72 -16.186 -0.708 -3.265 1.00 2.62 O ATOM 954 OE2 GLU A 72 -17.378 -0.711 -1.438 1.00 2.23 O ATOM 0 H GLU A 72 -14.837 3.073 -3.571 1.00 1.23 H new ATOM 0 HA GLU A 72 -15.229 3.558 -0.776 1.00 1.08 H new ATOM 0 HB2 GLU A 72 -14.212 1.131 -2.275 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -14.772 1.174 -0.615 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -17.046 1.799 -1.354 1.00 1.21 H new ATOM 0 HG3 GLU A 72 -16.510 1.900 -3.019 1.00 1.21 H new ATOM 961 N ARG A 73 -12.129 3.110 -1.931 1.00 0.99 N ATOM 962 CA ARG A 73 -10.713 3.454 -1.720 1.00 0.97 C ATOM 963 C ARG A 73 -10.523 4.930 -1.355 1.00 1.03 C ATOM 964 O ARG A 73 -9.799 5.223 -0.405 1.00 0.97 O ATOM 965 CB ARG A 73 -9.907 3.110 -2.982 1.00 1.04 C ATOM 966 CG ARG A 73 -9.784 1.598 -3.237 1.00 1.51 C ATOM 967 CD ARG A 73 -9.282 1.253 -4.647 1.00 1.81 C ATOM 968 NE ARG A 73 -8.123 2.069 -5.046 1.00 1.88 N ATOM 969 CZ ARG A 73 -7.161 1.755 -5.887 1.00 2.70 C ATOM 970 NH1 ARG A 73 -7.137 0.665 -6.591 1.00 3.73 N ATOM 971 NH2 ARG A 73 -6.187 2.595 -6.038 1.00 3.30 N ATOM 0 H ARG A 73 -12.297 2.638 -2.820 1.00 0.99 H new ATOM 0 HA ARG A 73 -10.350 2.867 -0.877 1.00 0.97 H new ATOM 0 HB2 ARG A 73 -10.380 3.579 -3.845 1.00 1.04 H new ATOM 0 HB3 ARG A 73 -8.909 3.538 -2.894 1.00 1.04 H new ATOM 0 HG2 ARG A 73 -9.103 1.168 -2.502 1.00 1.51 H new ATOM 0 HG3 ARG A 73 -10.757 1.131 -3.082 1.00 1.51 H new ATOM 0 HD2 ARG A 73 -9.010 0.198 -4.685 1.00 1.81 H new ATOM 0 HD3 ARG A 73 -10.090 1.400 -5.363 1.00 1.81 H new ATOM 0 HE ARG A 73 -8.058 2.992 -4.617 1.00 1.88 H new ATOM 0 HH11 ARG A 73 -7.896 -0.011 -6.510 1.00 3.73 H new ATOM 0 HH12 ARG A 73 -6.359 0.484 -7.225 1.00 3.73 H new ATOM 0 HH21 ARG A 73 -6.182 3.469 -5.513 1.00 3.30 H new ATOM 0 HH22 ARG A 73 -5.425 2.382 -6.682 1.00 3.30 H new ATOM 985 N ASP A 74 -11.205 5.842 -2.052 1.00 1.17 N ATOM 986 CA ASP A 74 -11.183 7.276 -1.744 1.00 1.26 C ATOM 987 C ASP A 74 -11.704 7.588 -0.330 1.00 1.23 C ATOM 988 O ASP A 74 -10.979 8.212 0.453 1.00 1.23 O ATOM 989 CB ASP A 74 -11.975 8.053 -2.804 1.00 1.40 C ATOM 990 CG ASP A 74 -12.025 9.555 -2.489 1.00 1.50 C ATOM 991 OD1 ASP A 74 -10.989 10.251 -2.631 1.00 2.38 O ATOM 992 OD2 ASP A 74 -13.092 10.040 -2.050 1.00 1.79 O ATOM 0 H ASP A 74 -11.792 5.606 -2.852 1.00 1.17 H new ATOM 0 HA ASP A 74 -10.142 7.597 -1.766 1.00 1.26 H new ATOM 0 HB2 ASP A 74 -11.519 7.902 -3.782 1.00 1.40 H new ATOM 0 HB3 ASP A 74 -12.990 7.659 -2.861 1.00 1.40 H new ATOM 997 N GLU A 75 -12.923 7.148 0.019 1.00 1.22 N ATOM 998 CA GLU A 75 -13.488 7.406 1.358 1.00 1.21 C ATOM 999 C GLU A 75 -12.718 6.711 2.498 1.00 1.07 C ATOM 1000 O GLU A 75 -12.677 7.224 3.618 1.00 1.08 O ATOM 1001 CB GLU A 75 -14.986 7.069 1.412 1.00 1.28 C ATOM 1002 CG GLU A 75 -15.293 5.571 1.301 1.00 1.30 C ATOM 1003 CD GLU A 75 -16.783 5.258 1.403 1.00 1.51 C ATOM 1004 OE1 GLU A 75 -17.585 5.821 0.622 1.00 2.58 O ATOM 1005 OE2 GLU A 75 -17.181 4.435 2.265 1.00 1.99 O ATOM 0 H GLU A 75 -13.534 6.616 -0.600 1.00 1.22 H new ATOM 0 HA GLU A 75 -13.371 8.477 1.526 1.00 1.21 H new ATOM 0 HB2 GLU A 75 -15.399 7.446 2.348 1.00 1.28 H new ATOM 0 HB3 GLU A 75 -15.495 7.595 0.604 1.00 1.28 H new ATOM 0 HG2 GLU A 75 -14.913 5.198 0.350 1.00 1.30 H new ATOM 0 HG3 GLU A 75 -14.761 5.037 2.088 1.00 1.30 H new ATOM 1012 N ILE A 76 -12.066 5.580 2.214 1.00 0.97 N ATOM 1013 CA ILE A 76 -11.245 4.819 3.166 1.00 0.84 C ATOM 1014 C ILE A 76 -9.922 5.553 3.433 1.00 0.84 C ATOM 1015 O ILE A 76 -9.565 5.778 4.590 1.00 0.81 O ATOM 1016 CB ILE A 76 -11.070 3.371 2.640 1.00 0.76 C ATOM 1017 CG1 ILE A 76 -12.413 2.603 2.758 1.00 0.76 C ATOM 1018 CG2 ILE A 76 -9.958 2.624 3.394 1.00 0.70 C ATOM 1019 CD1 ILE A 76 -12.549 1.391 1.822 1.00 0.72 C ATOM 0 H ILE A 76 -12.094 5.154 1.288 1.00 0.97 H new ATOM 0 HA ILE A 76 -11.740 4.746 4.135 1.00 0.84 H new ATOM 0 HB ILE A 76 -10.775 3.425 1.592 1.00 0.76 H new ATOM 0 HG12 ILE A 76 -12.532 2.264 3.787 1.00 0.76 H new ATOM 0 HG13 ILE A 76 -13.230 3.295 2.554 1.00 0.76 H new ATOM 0 HG21 ILE A 76 -9.865 1.613 2.997 1.00 0.70 H new ATOM 0 HG22 ILE A 76 -9.013 3.152 3.266 1.00 0.70 H new ATOM 0 HG23 ILE A 76 -10.206 2.576 4.454 1.00 0.70 H new ATOM 0 HD11 ILE A 76 -13.519 0.919 1.977 1.00 0.72 H new ATOM 0 HD12 ILE A 76 -12.466 1.720 0.786 1.00 0.72 H new ATOM 0 HD13 ILE A 76 -11.758 0.673 2.039 1.00 0.72 H new ATOM 1031 N LEU A 77 -9.236 6.033 2.390 1.00 0.89 N ATOM 1032 CA LEU A 77 -8.067 6.913 2.533 1.00 0.93 C ATOM 1033 C LEU A 77 -8.406 8.238 3.227 1.00 0.99 C ATOM 1034 O LEU A 77 -7.572 8.796 3.940 1.00 1.04 O ATOM 1035 CB LEU A 77 -7.492 7.212 1.148 1.00 1.01 C ATOM 1036 CG LEU A 77 -6.646 6.068 0.575 1.00 0.98 C ATOM 1037 CD1 LEU A 77 -6.398 6.382 -0.894 1.00 1.08 C ATOM 1038 CD2 LEU A 77 -5.297 5.931 1.291 1.00 0.98 C ATOM 0 H LEU A 77 -9.475 5.823 1.421 1.00 0.89 H new ATOM 0 HA LEU A 77 -7.342 6.391 3.157 1.00 0.93 H new ATOM 0 HB2 LEU A 77 -8.312 7.426 0.462 1.00 1.01 H new ATOM 0 HB3 LEU A 77 -6.880 8.112 1.204 1.00 1.01 H new ATOM 0 HG LEU A 77 -7.181 5.128 0.710 1.00 0.98 H new ATOM 0 HD11 LEU A 77 -5.797 5.589 -1.339 1.00 1.08 H new ATOM 0 HD12 LEU A 77 -7.352 6.452 -1.417 1.00 1.08 H new ATOM 0 HD13 LEU A 77 -5.867 7.330 -0.979 1.00 1.08 H new ATOM 0 HD21 LEU A 77 -4.733 5.108 0.851 1.00 0.98 H new ATOM 0 HD22 LEU A 77 -4.732 6.857 1.183 1.00 0.98 H new ATOM 0 HD23 LEU A 77 -5.465 5.730 2.349 1.00 0.98 H new ATOM 1050 N ARG A 78 -9.632 8.732 3.043 1.00 1.03 N ATOM 1051 CA ARG A 78 -10.178 9.892 3.769 1.00 1.10 C ATOM 1052 C ARG A 78 -10.525 9.576 5.230 1.00 1.04 C ATOM 1053 O ARG A 78 -10.371 10.452 6.078 1.00 1.07 O ATOM 1054 CB ARG A 78 -11.394 10.463 3.024 1.00 1.23 C ATOM 1055 CG ARG A 78 -11.012 11.266 1.772 1.00 1.34 C ATOM 1056 CD ARG A 78 -12.153 11.327 0.748 1.00 1.63 C ATOM 1057 NE ARG A 78 -13.405 11.877 1.300 1.00 2.12 N ATOM 1058 CZ ARG A 78 -14.627 11.522 0.953 1.00 3.26 C ATOM 1059 NH1 ARG A 78 -14.886 10.693 -0.014 1.00 4.08 N ATOM 1060 NH2 ARG A 78 -15.667 11.985 1.573 1.00 4.62 N ATOM 0 H ARG A 78 -10.290 8.333 2.373 1.00 1.03 H new ATOM 0 HA ARG A 78 -9.392 10.647 3.800 1.00 1.10 H new ATOM 0 HB2 ARG A 78 -12.053 9.644 2.736 1.00 1.23 H new ATOM 0 HB3 ARG A 78 -11.959 11.104 3.701 1.00 1.23 H new ATOM 0 HG2 ARG A 78 -10.734 12.279 2.064 1.00 1.34 H new ATOM 0 HG3 ARG A 78 -10.134 10.816 1.308 1.00 1.34 H new ATOM 0 HD2 ARG A 78 -11.839 11.937 -0.099 1.00 1.63 H new ATOM 0 HD3 ARG A 78 -12.343 10.324 0.366 1.00 1.63 H new ATOM 0 HE ARG A 78 -13.318 12.598 2.016 1.00 2.12 H new ATOM 0 HH11 ARG A 78 -14.123 10.280 -0.550 1.00 4.08 H new ATOM 0 HH12 ARG A 78 -15.853 10.456 -0.237 1.00 4.08 H new ATOM 0 HH21 ARG A 78 -15.550 12.639 2.347 1.00 4.62 H new ATOM 0 HH22 ARG A 78 -16.602 11.696 1.286 1.00 4.62 H new ATOM 1074 N ALA A 79 -10.912 8.339 5.545 1.00 0.98 N ATOM 1075 CA ALA A 79 -11.158 7.872 6.916 1.00 0.94 C ATOM 1076 C ALA A 79 -9.859 7.643 7.715 1.00 0.86 C ATOM 1077 O ALA A 79 -9.819 7.879 8.928 1.00 0.93 O ATOM 1078 CB ALA A 79 -12.020 6.603 6.868 1.00 0.95 C ATOM 0 H ALA A 79 -11.067 7.617 4.842 1.00 0.98 H new ATOM 0 HA ALA A 79 -11.693 8.657 7.449 1.00 0.94 H new ATOM 0 HB1 ALA A 79 -12.206 6.251 7.883 1.00 0.95 H new ATOM 0 HB2 ALA A 79 -12.969 6.826 6.381 1.00 0.95 H new ATOM 0 HB3 ALA A 79 -11.497 5.829 6.306 1.00 0.95 H new ATOM 1084 N VAL A 80 -8.767 7.263 7.040 1.00 0.79 N ATOM 1085 CA VAL A 80 -7.416 7.381 7.612 1.00 0.78 C ATOM 1086 C VAL A 80 -7.004 8.860 7.664 1.00 0.89 C ATOM 1087 O VAL A 80 -6.411 9.315 8.641 1.00 0.95 O ATOM 1088 CB VAL A 80 -6.401 6.534 6.818 1.00 0.77 C ATOM 1089 CG1 VAL A 80 -5.030 6.559 7.495 1.00 0.84 C ATOM 1090 CG2 VAL A 80 -6.817 5.060 6.735 1.00 0.71 C ATOM 0 H VAL A 80 -8.790 6.872 6.098 1.00 0.79 H new ATOM 0 HA VAL A 80 -7.426 6.991 8.630 1.00 0.78 H new ATOM 0 HB VAL A 80 -6.365 6.971 5.820 1.00 0.77 H new ATOM 0 HG11 VAL A 80 -4.329 5.955 6.919 1.00 0.84 H new ATOM 0 HG12 VAL A 80 -4.668 7.586 7.546 1.00 0.84 H new ATOM 0 HG13 VAL A 80 -5.115 6.154 8.503 1.00 0.84 H new ATOM 0 HG21 VAL A 80 -6.072 4.503 6.167 1.00 0.71 H new ATOM 0 HG22 VAL A 80 -6.891 4.646 7.740 1.00 0.71 H new ATOM 0 HG23 VAL A 80 -7.784 4.982 6.239 1.00 0.71 H new ATOM 1100 N GLY A 81 -7.341 9.627 6.621 1.00 0.94 N ATOM 1101 CA GLY A 81 -7.017 11.047 6.459 1.00 1.09 C ATOM 1102 C GLY A 81 -5.544 11.293 6.118 1.00 1.11 C ATOM 1103 O GLY A 81 -5.097 12.442 6.081 1.00 1.23 O ATOM 0 H GLY A 81 -7.871 9.257 5.832 1.00 0.94 H new ATOM 0 HA2 GLY A 81 -7.641 11.468 5.671 1.00 1.09 H new ATOM 0 HA3 GLY A 81 -7.264 11.577 7.379 1.00 1.09 H new ATOM 1107 N ASN A 82 -4.791 10.211 5.916 1.00 1.03 N ATOM 1108 CA ASN A 82 -3.352 10.176 5.708 1.00 1.06 C ATOM 1109 C ASN A 82 -2.923 8.840 5.064 1.00 1.14 C ATOM 1110 O ASN A 82 -3.716 7.903 4.963 1.00 1.19 O ATOM 1111 CB ASN A 82 -2.686 10.440 7.077 1.00 0.97 C ATOM 1112 CG ASN A 82 -1.175 10.457 7.019 1.00 1.15 C ATOM 1113 OD1 ASN A 82 -0.514 9.603 7.590 1.00 2.61 O ATOM 1114 ND2 ASN A 82 -0.594 11.368 6.275 1.00 1.94 N ATOM 0 H ASN A 82 -5.202 9.278 5.893 1.00 1.03 H new ATOM 0 HA ASN A 82 -3.030 10.945 5.006 1.00 1.06 H new ATOM 0 HB2 ASN A 82 -3.038 11.396 7.465 1.00 0.97 H new ATOM 0 HB3 ASN A 82 -3.006 9.673 7.782 1.00 0.97 H new ATOM 0 HD21 ASN A 82 0.420 11.368 6.168 1.00 1.94 H new ATOM 0 HD22 ASN A 82 -1.157 12.076 5.803 1.00 1.94 H new ATOM 1121 N MET A 83 -1.663 8.741 4.639 1.00 1.24 N ATOM 1122 CA MET A 83 -1.064 7.539 4.077 1.00 1.32 C ATOM 1123 C MET A 83 -1.020 6.407 5.125 1.00 1.22 C ATOM 1124 O MET A 83 -0.466 6.616 6.208 1.00 1.29 O ATOM 1125 CB MET A 83 0.355 7.904 3.592 1.00 1.56 C ATOM 1126 CG MET A 83 0.865 7.057 2.423 1.00 1.57 C ATOM 1127 SD MET A 83 0.455 7.703 0.774 1.00 1.66 S ATOM 1128 CE MET A 83 -1.299 7.267 0.641 1.00 1.44 C ATOM 0 H MET A 83 -1.012 9.525 4.680 1.00 1.24 H new ATOM 0 HA MET A 83 -1.661 7.173 3.242 1.00 1.32 H new ATOM 0 HB2 MET A 83 0.365 8.953 3.296 1.00 1.56 H new ATOM 0 HB3 MET A 83 1.048 7.802 4.427 1.00 1.56 H new ATOM 0 HG2 MET A 83 1.948 6.968 2.503 1.00 1.57 H new ATOM 0 HG3 MET A 83 0.455 6.051 2.516 1.00 1.57 H new ATOM 0 HE1 MET A 83 -1.596 7.268 -0.408 1.00 1.44 H new ATOM 0 HE2 MET A 83 -1.460 6.275 1.063 1.00 1.44 H new ATOM 0 HE3 MET A 83 -1.898 7.996 1.188 1.00 1.44 H new ATOM 1138 N PRO A 84 -1.512 5.187 4.828 1.00 1.17 N ATOM 1139 CA PRO A 84 -1.320 4.036 5.713 1.00 1.18 C ATOM 1140 C PRO A 84 0.126 3.497 5.684 1.00 1.27 C ATOM 1141 O PRO A 84 0.467 2.609 6.474 1.00 1.35 O ATOM 1142 CB PRO A 84 -2.367 3.008 5.274 1.00 1.16 C ATOM 1143 CG PRO A 84 -2.732 3.364 3.830 1.00 1.12 C ATOM 1144 CD PRO A 84 -2.310 4.830 3.663 1.00 1.15 C ATOM 0 HA PRO A 84 -1.461 4.306 6.760 1.00 1.18 H new ATOM 0 HB2 PRO A 84 -1.969 1.995 5.337 1.00 1.16 H new ATOM 0 HB3 PRO A 84 -3.245 3.046 5.919 1.00 1.16 H new ATOM 0 HG2 PRO A 84 -2.211 2.720 3.121 1.00 1.12 H new ATOM 0 HG3 PRO A 84 -3.800 3.238 3.650 1.00 1.12 H new ATOM 0 HD2 PRO A 84 -1.733 4.962 2.747 1.00 1.15 H new ATOM 0 HD3 PRO A 84 -3.185 5.475 3.584 1.00 1.15 H new ATOM 1152 N TYR A 85 0.963 4.043 4.787 1.00 1.32 N ATOM 1153 CA TYR A 85 2.374 3.695 4.568 1.00 1.49 C ATOM 1154 C TYR A 85 3.330 4.875 4.815 1.00 1.42 C ATOM 1155 O TYR A 85 3.788 5.555 3.867 1.00 2.10 O ATOM 1156 CB TYR A 85 2.549 2.969 3.218 1.00 1.77 C ATOM 1157 CG TYR A 85 1.680 3.426 2.056 1.00 1.54 C ATOM 1158 CD1 TYR A 85 0.349 2.976 1.970 1.00 2.05 C ATOM 1159 CD2 TYR A 85 2.216 4.205 1.014 1.00 2.35 C ATOM 1160 CE1 TYR A 85 -0.453 3.329 0.868 1.00 1.99 C ATOM 1161 CE2 TYR A 85 1.423 4.557 -0.095 1.00 2.48 C ATOM 1162 CZ TYR A 85 0.082 4.122 -0.168 1.00 1.66 C ATOM 1163 OH TYR A 85 -0.697 4.444 -1.236 1.00 1.88 O ATOM 0 H TYR A 85 0.653 4.784 4.158 1.00 1.32 H new ATOM 0 HA TYR A 85 2.677 2.977 5.330 1.00 1.49 H new ATOM 0 HB2 TYR A 85 3.592 3.067 2.917 1.00 1.77 H new ATOM 0 HB3 TYR A 85 2.362 1.907 3.380 1.00 1.77 H new ATOM 0 HD1 TYR A 85 -0.060 2.356 2.754 1.00 2.05 H new ATOM 0 HD2 TYR A 85 3.243 4.535 1.065 1.00 2.35 H new ATOM 0 HE1 TYR A 85 -1.478 2.992 0.816 1.00 1.99 H new ATOM 0 HE2 TYR A 85 1.840 5.159 -0.889 1.00 2.48 H new ATOM 0 HH TYR A 85 -0.183 4.996 -1.862 1.00 1.88 H new