USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 574 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 -166:sc= -0.624 (180deg=-1.16) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 57 GLN : amide:sc= 0.779 K(o=1.9,f=-3.2) USER MOD Set 2.2: A 60 LYS NZ :NH3+ 175:sc= 1.1 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.0408 K(o=-0.041,f=-1.4!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 71:sc=0.000232 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 74:sc= 1.26 USER MOD Single : A 30 ASN : amide:sc= 1.15 X(o=1.2,f=0.79) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -87:sc= 1.26 USER MOD Single : A 39 THR OG1 : rot 74:sc= 0.575 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= 1.91 K(o=1.9,f=-4.5!) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 53 SER OG : rot 61:sc= 1.18 USER MOD Single : A 56 MET CE :methyl 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 -161:sc= 0 (180deg=-0.398) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.246 K(o=-0.25,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 14 -2.616 -1.830 -3.191 0.49 2.56 N ATOM 2 CA ASN A 14 -2.168 -2.291 -4.529 0.49 2.00 C ATOM 3 C ASN A 14 -0.709 -2.725 -4.474 0.49 1.94 C ATOM 4 O ASN A 14 -0.006 -2.318 -3.552 0.49 2.26 O ATOM 5 CB ASN A 14 -2.415 -1.223 -5.614 0.49 2.55 C ATOM 6 CG ASN A 14 -3.904 -1.072 -5.913 0.49 2.41 C ATOM 7 OD1 ASN A 14 -4.726 -1.777 -5.342 0.49 3.09 O ATOM 8 ND2 ASN A 14 -4.293 -0.192 -6.808 0.49 2.53 N ATOM 0 HA ASN A 14 -2.766 -3.157 -4.811 0.49 2.00 H new ATOM 0 HB2 ASN A 14 -2.009 -0.266 -5.285 0.49 2.55 H new ATOM 0 HB3 ASN A 14 -1.885 -1.498 -6.526 0.49 2.55 H new ATOM 0 HD21 ASN A 14 -5.284 -0.094 -7.030 0.49 2.53 H new ATOM 0 HD22 ASN A 14 -3.604 0.393 -7.281 0.49 2.53 H new ATOM 15 N PRO A 15 -0.199 -3.493 -5.459 0.49 1.82 N ATOM 16 CA PRO A 15 1.226 -3.468 -5.780 0.49 2.08 C ATOM 17 C PRO A 15 1.640 -2.013 -6.022 0.49 2.09 C ATOM 18 O PRO A 15 1.036 -1.310 -6.836 0.49 2.31 O ATOM 19 CB PRO A 15 1.385 -4.346 -7.025 0.49 2.17 C ATOM 20 CG PRO A 15 0.016 -4.285 -7.695 0.49 1.93 C ATOM 21 CD PRO A 15 -0.926 -4.211 -6.495 0.49 1.70 C ATOM 0 HA PRO A 15 1.864 -3.849 -4.983 0.49 2.08 H new ATOM 0 HB2 PRO A 15 2.168 -3.969 -7.682 0.49 2.17 H new ATOM 0 HB3 PRO A 15 1.655 -5.368 -6.761 0.49 2.17 H new ATOM 0 HG2 PRO A 15 -0.082 -3.415 -8.344 0.49 1.93 H new ATOM 0 HG3 PRO A 15 -0.176 -5.164 -8.310 0.49 1.93 H new ATOM 0 HD2 PRO A 15 -1.849 -3.693 -6.755 0.49 1.70 H new ATOM 0 HD3 PRO A 15 -1.205 -5.209 -6.156 0.49 1.70 H new ATOM 29 N CYS A 16 2.605 -1.534 -5.239 1.00 1.83 N ATOM 30 CA CYS A 16 2.778 -0.107 -4.988 1.00 1.59 C ATOM 31 C CYS A 16 3.822 0.525 -5.923 1.00 1.29 C ATOM 32 O CYS A 16 4.854 1.026 -5.472 1.00 0.95 O ATOM 33 CB CYS A 16 3.044 0.096 -3.488 1.00 1.67 C ATOM 34 SG CYS A 16 2.090 1.450 -2.766 1.00 1.45 S ATOM 0 H CYS A 16 3.287 -2.124 -4.762 1.00 1.83 H new ATOM 0 HA CYS A 16 1.864 0.435 -5.232 1.00 1.59 H new ATOM 0 HB2 CYS A 16 2.810 -0.827 -2.957 1.00 1.67 H new ATOM 0 HB3 CYS A 16 4.106 0.290 -3.338 1.00 1.67 H new ATOM 39 N LEU A 17 3.552 0.506 -7.236 1.00 1.53 N ATOM 40 CA LEU A 17 4.444 0.993 -8.305 1.00 1.38 C ATOM 41 C LEU A 17 5.009 2.404 -8.027 1.00 1.16 C ATOM 42 O LEU A 17 6.144 2.700 -8.404 1.00 1.07 O ATOM 43 CB LEU A 17 3.683 0.999 -9.651 1.00 1.58 C ATOM 44 CG LEU A 17 3.504 -0.339 -10.403 1.00 1.76 C ATOM 45 CD1 LEU A 17 4.835 -0.974 -10.804 1.00 2.65 C ATOM 46 CD2 LEU A 17 2.699 -1.379 -9.628 1.00 2.22 C ATOM 0 H LEU A 17 2.673 0.137 -7.599 1.00 1.53 H new ATOM 0 HA LEU A 17 5.294 0.311 -8.345 1.00 1.38 H new ATOM 0 HB2 LEU A 17 2.691 1.412 -9.469 1.00 1.58 H new ATOM 0 HB3 LEU A 17 4.198 1.689 -10.320 1.00 1.58 H new ATOM 0 HG LEU A 17 2.944 -0.058 -11.295 1.00 1.76 H new ATOM 0 HD11 LEU A 17 4.648 -1.911 -11.329 1.00 2.65 H new ATOM 0 HD12 LEU A 17 5.380 -0.294 -11.459 1.00 2.65 H new ATOM 0 HD13 LEU A 17 5.428 -1.171 -9.911 1.00 2.65 H new ATOM 0 HD21 LEU A 17 2.616 -2.290 -10.220 1.00 2.22 H new ATOM 0 HD22 LEU A 17 3.203 -1.602 -8.687 1.00 2.22 H new ATOM 0 HD23 LEU A 17 1.702 -0.988 -9.422 1.00 2.22 H new ATOM 58 N SER A 18 4.251 3.237 -7.313 1.00 1.26 N ATOM 59 CA SER A 18 4.598 4.599 -6.883 1.00 1.32 C ATOM 60 C SER A 18 5.761 4.665 -5.889 1.00 1.15 C ATOM 61 O SER A 18 6.564 5.600 -5.937 1.00 1.32 O ATOM 62 CB SER A 18 3.388 5.193 -6.163 1.00 1.79 C ATOM 63 OG SER A 18 2.234 5.135 -6.981 1.00 2.06 O ATOM 0 H SER A 18 3.320 2.965 -6.998 1.00 1.26 H new ATOM 0 HA SER A 18 4.890 5.138 -7.784 1.00 1.32 H new ATOM 0 HB2 SER A 18 3.209 4.649 -5.236 1.00 1.79 H new ATOM 0 HB3 SER A 18 3.594 6.228 -5.891 1.00 1.79 H new ATOM 0 HG SER A 18 1.472 5.519 -6.499 1.00 2.06 H new ATOM 69 N GLU A 19 5.844 3.692 -4.978 1.00 1.13 N ATOM 70 CA GLU A 19 6.970 3.509 -4.054 1.00 0.99 C ATOM 71 C GLU A 19 8.063 2.659 -4.715 1.00 0.76 C ATOM 72 O GLU A 19 9.244 2.905 -4.482 1.00 0.69 O ATOM 73 CB GLU A 19 6.505 2.841 -2.744 1.00 1.13 C ATOM 74 CG GLU A 19 5.453 3.618 -1.934 1.00 1.84 C ATOM 75 CD GLU A 19 5.993 4.904 -1.292 1.00 1.58 C ATOM 76 OE1 GLU A 19 6.157 5.929 -1.999 1.00 2.23 O ATOM 77 OE2 GLU A 19 6.142 4.964 -0.051 1.00 2.27 O ATOM 0 H GLU A 19 5.112 2.991 -4.858 1.00 1.13 H new ATOM 0 HA GLU A 19 7.376 4.492 -3.814 1.00 0.99 H new ATOM 0 HB2 GLU A 19 6.099 1.858 -2.984 1.00 1.13 H new ATOM 0 HB3 GLU A 19 7.377 2.680 -2.111 1.00 1.13 H new ATOM 0 HG2 GLU A 19 4.619 3.872 -2.588 1.00 1.84 H new ATOM 0 HG3 GLU A 19 5.059 2.970 -1.151 1.00 1.84 H new ATOM 84 N SER A 20 7.697 1.715 -5.592 1.00 0.79 N ATOM 85 CA SER A 20 8.678 0.867 -6.304 1.00 0.79 C ATOM 86 C SER A 20 9.530 1.669 -7.296 1.00 0.80 C ATOM 87 O SER A 20 10.711 1.363 -7.496 1.00 0.84 O ATOM 88 CB SER A 20 7.997 -0.286 -7.044 1.00 1.03 C ATOM 89 OG SER A 20 7.305 -1.121 -6.140 1.00 1.36 O ATOM 0 H SER A 20 6.726 1.514 -5.830 1.00 0.79 H new ATOM 0 HA SER A 20 9.334 0.461 -5.534 1.00 0.79 H new ATOM 0 HB2 SER A 20 7.303 0.111 -7.785 1.00 1.03 H new ATOM 0 HB3 SER A 20 8.743 -0.868 -7.586 1.00 1.03 H new ATOM 0 HG SER A 20 6.519 -0.649 -5.795 1.00 1.36 H new ATOM 95 N ASP A 21 8.975 2.740 -7.870 1.00 0.84 N ATOM 96 CA ASP A 21 9.727 3.714 -8.663 1.00 0.95 C ATOM 97 C ASP A 21 10.707 4.505 -7.787 1.00 0.94 C ATOM 98 O ASP A 21 11.883 4.588 -8.118 1.00 1.04 O ATOM 99 CB ASP A 21 8.762 4.663 -9.385 1.00 1.11 C ATOM 100 CG ASP A 21 9.495 5.533 -10.403 1.00 1.49 C ATOM 101 OD1 ASP A 21 10.147 4.968 -11.316 1.00 1.91 O ATOM 102 OD2 ASP A 21 9.393 6.777 -10.301 1.00 2.56 O ATOM 0 H ASP A 21 7.981 2.957 -7.796 1.00 0.84 H new ATOM 0 HA ASP A 21 10.311 3.171 -9.406 1.00 0.95 H new ATOM 0 HB2 ASP A 21 7.988 4.084 -9.889 1.00 1.11 H new ATOM 0 HB3 ASP A 21 8.260 5.298 -8.655 1.00 1.11 H new ATOM 107 N ALA A 22 10.269 5.023 -6.637 1.00 0.89 N ATOM 108 CA ALA A 22 11.130 5.779 -5.722 1.00 0.97 C ATOM 109 C ALA A 22 12.250 4.907 -5.098 1.00 0.88 C ATOM 110 O ALA A 22 13.383 5.371 -4.936 1.00 1.05 O ATOM 111 CB ALA A 22 10.223 6.453 -4.691 1.00 1.03 C ATOM 0 H ALA A 22 9.306 4.930 -6.313 1.00 0.89 H new ATOM 0 HA ALA A 22 11.681 6.546 -6.266 1.00 0.97 H new ATOM 0 HB1 ALA A 22 10.831 7.026 -3.991 1.00 1.03 H new ATOM 0 HB2 ALA A 22 9.528 7.121 -5.199 1.00 1.03 H new ATOM 0 HB3 ALA A 22 9.663 5.693 -4.147 1.00 1.03 H new ATOM 117 N SER A 23 11.968 3.622 -4.858 1.00 0.67 N ATOM 118 CA SER A 23 12.945 2.552 -4.586 1.00 0.60 C ATOM 119 C SER A 23 13.959 2.389 -5.732 1.00 0.72 C ATOM 120 O SER A 23 15.166 2.463 -5.508 1.00 0.82 O ATOM 121 CB SER A 23 12.192 1.231 -4.371 1.00 0.62 C ATOM 122 OG SER A 23 12.991 0.237 -3.762 1.00 1.35 O ATOM 0 H SER A 23 11.007 3.279 -4.847 1.00 0.67 H new ATOM 0 HA SER A 23 13.505 2.824 -3.691 1.00 0.60 H new ATOM 0 HB2 SER A 23 11.314 1.415 -3.751 1.00 0.62 H new ATOM 0 HB3 SER A 23 11.832 0.863 -5.332 1.00 0.62 H new ATOM 0 HG SER A 23 12.464 -0.581 -3.647 1.00 1.35 H new ATOM 128 N THR A 24 13.490 2.277 -6.982 1.00 0.85 N ATOM 129 CA THR A 24 14.354 2.190 -8.183 1.00 1.13 C ATOM 130 C THR A 24 15.252 3.431 -8.319 1.00 1.31 C ATOM 131 O THR A 24 16.458 3.306 -8.545 1.00 1.50 O ATOM 132 CB THR A 24 13.510 2.003 -9.461 1.00 1.30 C ATOM 133 OG1 THR A 24 12.658 0.881 -9.345 1.00 1.28 O ATOM 134 CG2 THR A 24 14.358 1.751 -10.706 1.00 1.56 C ATOM 0 H THR A 24 12.494 2.243 -7.197 1.00 0.85 H new ATOM 0 HA THR A 24 14.994 1.317 -8.058 1.00 1.13 H new ATOM 0 HB THR A 24 12.954 2.935 -9.567 1.00 1.30 H new ATOM 0 HG1 THR A 24 11.919 1.093 -8.738 1.00 1.28 H new ATOM 0 HG21 THR A 24 13.707 1.628 -11.571 1.00 1.56 H new ATOM 0 HG22 THR A 24 15.023 2.598 -10.871 1.00 1.56 H new ATOM 0 HG23 THR A 24 14.950 0.847 -10.566 1.00 1.56 H new ATOM 142 N ARG A 25 14.695 4.628 -8.097 1.00 1.30 N ATOM 143 CA ARG A 25 15.411 5.916 -8.051 1.00 1.54 C ATOM 144 C ARG A 25 16.422 5.990 -6.896 1.00 1.54 C ATOM 145 O ARG A 25 17.484 6.579 -7.085 1.00 1.87 O ATOM 146 CB ARG A 25 14.386 7.066 -7.944 1.00 1.63 C ATOM 147 CG ARG A 25 13.887 7.707 -9.254 1.00 1.97 C ATOM 148 CD ARG A 25 13.206 6.798 -10.286 1.00 1.80 C ATOM 149 NE ARG A 25 14.174 6.206 -11.219 1.00 2.80 N ATOM 150 CZ ARG A 25 13.964 5.269 -12.120 1.00 4.06 C ATOM 151 NH1 ARG A 25 12.829 4.648 -12.286 1.00 4.56 N ATOM 152 NH2 ARG A 25 14.942 4.934 -12.899 1.00 5.51 N ATOM 0 H ARG A 25 13.693 4.734 -7.938 1.00 1.30 H new ATOM 0 HA ARG A 25 15.985 6.010 -8.973 1.00 1.54 H new ATOM 0 HB2 ARG A 25 13.518 6.691 -7.402 1.00 1.63 H new ATOM 0 HB3 ARG A 25 14.828 7.853 -7.333 1.00 1.63 H new ATOM 0 HG2 ARG A 25 13.186 8.499 -8.992 1.00 1.97 H new ATOM 0 HG3 ARG A 25 14.739 8.183 -9.739 1.00 1.97 H new ATOM 0 HD2 ARG A 25 12.667 6.004 -9.770 1.00 1.80 H new ATOM 0 HD3 ARG A 25 12.468 7.373 -10.845 1.00 1.80 H new ATOM 0 HE ARG A 25 15.127 6.565 -11.162 1.00 2.80 H new ATOM 0 HH11 ARG A 25 12.030 4.879 -11.695 1.00 4.56 H new ATOM 0 HH12 ARG A 25 12.740 3.931 -13.006 1.00 4.56 H new ATOM 0 HH21 ARG A 25 15.848 5.393 -12.806 1.00 5.51 H new ATOM 0 HH22 ARG A 25 14.806 4.211 -13.606 1.00 5.51 H new ATOM 166 N CYS A 26 16.142 5.382 -5.737 1.00 1.26 N ATOM 167 CA CYS A 26 17.110 5.253 -4.637 1.00 1.27 C ATOM 168 C CYS A 26 18.294 4.356 -5.031 1.00 1.30 C ATOM 169 O CYS A 26 19.452 4.695 -4.809 1.00 1.52 O ATOM 170 CB CYS A 26 16.435 4.704 -3.367 1.00 1.07 C ATOM 171 SG CYS A 26 17.651 4.272 -2.089 1.00 1.10 S ATOM 0 H CYS A 26 15.234 4.963 -5.533 1.00 1.26 H new ATOM 0 HA CYS A 26 17.492 6.252 -4.427 1.00 1.27 H new ATOM 0 HB2 CYS A 26 15.743 5.448 -2.973 1.00 1.07 H new ATOM 0 HB3 CYS A 26 15.846 3.823 -3.621 1.00 1.07 H new ATOM 176 N LEU A 27 18.017 3.207 -5.634 1.00 1.18 N ATOM 177 CA LEU A 27 19.026 2.212 -6.014 1.00 1.32 C ATOM 178 C LEU A 27 19.928 2.684 -7.165 1.00 1.63 C ATOM 179 O LEU A 27 21.131 2.408 -7.189 1.00 1.82 O ATOM 180 CB LEU A 27 18.247 0.932 -6.331 1.00 1.25 C ATOM 181 CG LEU A 27 18.055 0.059 -5.085 1.00 1.08 C ATOM 182 CD1 LEU A 27 17.733 0.719 -3.740 1.00 0.86 C ATOM 183 CD2 LEU A 27 16.959 -0.974 -5.342 1.00 1.10 C ATOM 0 H LEU A 27 17.067 2.930 -5.880 1.00 1.18 H new ATOM 0 HA LEU A 27 19.734 2.038 -5.204 1.00 1.32 H new ATOM 0 HB2 LEU A 27 17.273 1.192 -6.746 1.00 1.25 H new ATOM 0 HB3 LEU A 27 18.777 0.363 -7.095 1.00 1.25 H new ATOM 0 HG LEU A 27 19.059 -0.346 -4.956 1.00 1.08 H new ATOM 0 HD11 LEU A 27 17.631 -0.049 -2.973 1.00 0.86 H new ATOM 0 HD12 LEU A 27 18.539 1.400 -3.467 1.00 0.86 H new ATOM 0 HD13 LEU A 27 16.799 1.276 -3.822 1.00 0.86 H new ATOM 0 HD21 LEU A 27 16.826 -1.592 -4.454 1.00 1.10 H new ATOM 0 HD22 LEU A 27 16.024 -0.463 -5.572 1.00 1.10 H new ATOM 0 HD23 LEU A 27 17.244 -1.605 -6.184 1.00 1.10 H new ATOM 195 N ASP A 28 19.342 3.478 -8.050 1.00 1.73 N ATOM 196 CA ASP A 28 20.041 4.317 -9.036 1.00 2.08 C ATOM 197 C ASP A 28 20.874 5.443 -8.383 1.00 2.22 C ATOM 198 O ASP A 28 21.991 5.705 -8.828 1.00 2.48 O ATOM 199 CB ASP A 28 19.025 4.894 -10.034 1.00 2.22 C ATOM 200 CG ASP A 28 19.688 5.778 -11.096 1.00 2.77 C ATOM 201 OD1 ASP A 28 20.583 5.291 -11.826 1.00 2.74 O ATOM 202 OD2 ASP A 28 19.322 6.971 -11.218 1.00 3.95 O ATOM 0 H ASP A 28 18.327 3.565 -8.110 1.00 1.73 H new ATOM 0 HA ASP A 28 20.752 3.681 -9.564 1.00 2.08 H new ATOM 0 HB2 ASP A 28 18.496 4.076 -10.524 1.00 2.22 H new ATOM 0 HB3 ASP A 28 18.279 5.477 -9.493 1.00 2.22 H new ATOM 207 N GLU A 29 20.383 6.088 -7.319 1.00 2.09 N ATOM 208 CA GLU A 29 21.137 7.074 -6.521 1.00 2.27 C ATOM 209 C GLU A 29 22.386 6.479 -5.849 1.00 2.25 C ATOM 210 O GLU A 29 23.489 6.989 -6.060 1.00 2.38 O ATOM 211 CB GLU A 29 20.214 7.723 -5.462 1.00 2.20 C ATOM 212 CG GLU A 29 19.779 9.153 -5.812 1.00 2.46 C ATOM 213 CD GLU A 29 20.851 10.203 -5.507 1.00 2.60 C ATOM 214 OE1 GLU A 29 20.878 10.721 -4.362 1.00 3.56 O ATOM 215 OE2 GLU A 29 21.639 10.555 -6.422 1.00 2.62 O ATOM 0 H GLU A 29 19.433 5.940 -6.978 1.00 2.09 H new ATOM 0 HA GLU A 29 21.491 7.835 -7.216 1.00 2.27 H new ATOM 0 HB2 GLU A 29 19.326 7.103 -5.339 1.00 2.20 H new ATOM 0 HB3 GLU A 29 20.730 7.735 -4.502 1.00 2.20 H new ATOM 0 HG2 GLU A 29 19.525 9.199 -6.871 1.00 2.46 H new ATOM 0 HG3 GLU A 29 18.873 9.396 -5.256 1.00 2.46 H new ATOM 222 N ASN A 30 22.244 5.418 -5.052 1.00 2.09 N ATOM 223 CA ASN A 30 23.269 4.914 -4.134 1.00 2.11 C ATOM 224 C ASN A 30 23.652 3.441 -4.398 1.00 2.03 C ATOM 225 O ASN A 30 23.324 2.562 -3.600 1.00 1.98 O ATOM 226 CB ASN A 30 22.815 5.198 -2.681 1.00 2.02 C ATOM 227 CG ASN A 30 21.377 4.828 -2.353 1.00 1.77 C ATOM 228 OD1 ASN A 30 20.613 5.635 -1.842 1.00 1.87 O ATOM 229 ND2 ASN A 30 20.982 3.601 -2.600 1.00 1.53 N ATOM 0 H ASN A 30 21.385 4.868 -5.027 1.00 2.09 H new ATOM 0 HA ASN A 30 24.202 5.448 -4.311 1.00 2.11 H new ATOM 0 HB2 ASN A 30 23.474 4.656 -2.002 1.00 2.02 H new ATOM 0 HB3 ASN A 30 22.952 6.260 -2.478 1.00 2.02 H new ATOM 0 HD21 ASN A 30 20.032 3.314 -2.366 1.00 1.53 H new ATOM 0 HD22 ASN A 30 21.625 2.934 -3.026 1.00 1.53 H new ATOM 236 N ASN A 31 24.328 3.161 -5.519 1.00 2.14 N ATOM 237 CA ASN A 31 25.041 1.901 -5.796 1.00 2.25 C ATOM 238 C ASN A 31 24.273 0.603 -5.434 1.00 2.02 C ATOM 239 O ASN A 31 24.852 -0.359 -4.924 1.00 1.99 O ATOM 240 CB ASN A 31 26.475 1.997 -5.227 1.00 2.49 C ATOM 241 CG ASN A 31 27.337 2.948 -6.040 1.00 3.80 C ATOM 242 OD1 ASN A 31 27.677 2.669 -7.183 1.00 4.20 O ATOM 243 ND2 ASN A 31 27.691 4.097 -5.522 1.00 4.99 N ATOM 0 H ASN A 31 24.398 3.828 -6.288 1.00 2.14 H new ATOM 0 HA ASN A 31 25.111 1.791 -6.878 1.00 2.25 H new ATOM 0 HB2 ASN A 31 26.434 2.337 -4.192 1.00 2.49 H new ATOM 0 HB3 ASN A 31 26.931 1.007 -5.220 1.00 2.49 H new ATOM 0 HD21 ASN A 31 28.247 4.754 -6.070 1.00 4.99 H new ATOM 0 HD22 ASN A 31 27.411 4.335 -4.571 1.00 4.99 H new ATOM 250 N TYR A 32 22.963 0.584 -5.700 1.00 1.93 N ATOM 251 CA TYR A 32 22.035 -0.521 -5.432 1.00 1.75 C ATOM 252 C TYR A 32 21.969 -0.996 -3.958 1.00 1.50 C ATOM 253 O TYR A 32 21.921 -2.192 -3.662 1.00 1.56 O ATOM 254 CB TYR A 32 22.204 -1.636 -6.482 1.00 2.03 C ATOM 255 CG TYR A 32 20.890 -2.178 -7.024 1.00 2.12 C ATOM 256 CD1 TYR A 32 19.995 -2.871 -6.183 1.00 2.57 C ATOM 257 CD2 TYR A 32 20.553 -1.984 -8.379 1.00 2.96 C ATOM 258 CE1 TYR A 32 18.787 -3.378 -6.692 1.00 2.72 C ATOM 259 CE2 TYR A 32 19.346 -2.497 -8.893 1.00 3.23 C ATOM 260 CZ TYR A 32 18.458 -3.201 -8.052 1.00 2.64 C ATOM 261 OH TYR A 32 17.285 -3.679 -8.550 1.00 3.01 O ATOM 0 H TYR A 32 22.496 1.382 -6.131 1.00 1.93 H new ATOM 0 HA TYR A 32 21.028 -0.122 -5.557 1.00 1.75 H new ATOM 0 HB2 TYR A 32 22.797 -1.253 -7.312 1.00 2.03 H new ATOM 0 HB3 TYR A 32 22.769 -2.456 -6.039 1.00 2.03 H new ATOM 0 HD1 TYR A 32 20.239 -3.013 -5.141 1.00 2.57 H new ATOM 0 HD2 TYR A 32 21.224 -1.439 -9.027 1.00 2.96 H new ATOM 0 HE1 TYR A 32 18.108 -3.905 -6.039 1.00 2.72 H new ATOM 0 HE2 TYR A 32 19.099 -2.351 -9.934 1.00 3.23 H new ATOM 0 HH TYR A 32 17.224 -3.466 -9.505 1.00 3.01 H new ATOM 271 N ASP A 33 21.925 -0.064 -3.002 1.00 1.35 N ATOM 272 CA ASP A 33 21.801 -0.340 -1.559 1.00 1.19 C ATOM 273 C ASP A 33 20.354 -0.670 -1.129 1.00 0.93 C ATOM 274 O ASP A 33 19.702 0.022 -0.337 1.00 0.87 O ATOM 275 CB ASP A 33 22.451 0.778 -0.732 1.00 1.36 C ATOM 276 CG ASP A 33 22.940 0.298 0.639 1.00 1.45 C ATOM 277 OD1 ASP A 33 22.511 -0.771 1.143 1.00 1.95 O ATOM 278 OD2 ASP A 33 23.812 1.006 1.198 1.00 2.21 O ATOM 0 H ASP A 33 21.976 0.933 -3.211 1.00 1.35 H new ATOM 0 HA ASP A 33 22.359 -1.253 -1.349 1.00 1.19 H new ATOM 0 HB2 ASP A 33 23.292 1.192 -1.288 1.00 1.36 H new ATOM 0 HB3 ASP A 33 21.732 1.586 -0.594 1.00 1.36 H new ATOM 283 N ARG A 34 19.859 -1.780 -1.686 1.00 0.96 N ATOM 284 CA ARG A 34 18.573 -2.444 -1.376 1.00 0.90 C ATOM 285 C ARG A 34 18.304 -2.684 0.117 1.00 0.89 C ATOM 286 O ARG A 34 17.149 -2.834 0.510 1.00 0.90 O ATOM 287 CB ARG A 34 18.489 -3.783 -2.138 1.00 1.23 C ATOM 288 CG ARG A 34 19.725 -4.691 -1.957 1.00 2.18 C ATOM 289 CD ARG A 34 19.400 -6.184 -2.057 1.00 2.50 C ATOM 290 NE ARG A 34 18.668 -6.644 -0.861 1.00 2.97 N ATOM 291 CZ ARG A 34 17.493 -7.236 -0.806 1.00 3.54 C ATOM 292 NH1 ARG A 34 16.822 -7.635 -1.846 1.00 3.61 N ATOM 293 NH2 ARG A 34 16.965 -7.421 0.358 1.00 5.01 N ATOM 0 H ARG A 34 20.373 -2.277 -2.413 1.00 0.96 H new ATOM 0 HA ARG A 34 17.800 -1.748 -1.701 1.00 0.90 H new ATOM 0 HB2 ARG A 34 17.603 -4.323 -1.805 1.00 1.23 H new ATOM 0 HB3 ARG A 34 18.356 -3.577 -3.200 1.00 1.23 H new ATOM 0 HG2 ARG A 34 20.468 -4.437 -2.713 1.00 2.18 H new ATOM 0 HG3 ARG A 34 20.177 -4.489 -0.986 1.00 2.18 H new ATOM 0 HD2 ARG A 34 18.802 -6.371 -2.949 1.00 2.50 H new ATOM 0 HD3 ARG A 34 20.322 -6.755 -2.166 1.00 2.50 H new ATOM 0 HE ARG A 34 19.130 -6.483 0.034 1.00 2.97 H new ATOM 0 HH11 ARG A 34 17.202 -7.496 -2.782 1.00 3.61 H new ATOM 0 HH12 ARG A 34 15.916 -8.087 -1.725 1.00 3.61 H new ATOM 0 HH21 ARG A 34 17.457 -7.112 1.196 1.00 5.01 H new ATOM 0 HH22 ARG A 34 16.056 -7.876 0.439 1.00 5.01 H new ATOM 307 N GLU A 35 19.340 -2.697 0.952 1.00 1.00 N ATOM 308 CA GLU A 35 19.220 -2.877 2.405 1.00 1.16 C ATOM 309 C GLU A 35 18.926 -1.552 3.123 1.00 1.21 C ATOM 310 O GLU A 35 18.053 -1.511 3.997 1.00 1.38 O ATOM 311 CB GLU A 35 20.486 -3.544 2.965 1.00 1.36 C ATOM 312 CG GLU A 35 20.706 -4.976 2.458 1.00 1.48 C ATOM 313 CD GLU A 35 19.576 -5.914 2.892 1.00 2.72 C ATOM 314 OE1 GLU A 35 19.624 -6.444 4.028 1.00 3.58 O ATOM 315 OE2 GLU A 35 18.599 -6.093 2.129 1.00 4.22 O ATOM 0 H GLU A 35 20.303 -2.581 0.638 1.00 1.00 H new ATOM 0 HA GLU A 35 18.370 -3.533 2.592 1.00 1.16 H new ATOM 0 HB2 GLU A 35 21.352 -2.938 2.701 1.00 1.36 H new ATOM 0 HB3 GLU A 35 20.427 -3.559 4.053 1.00 1.36 H new ATOM 0 HG2 GLU A 35 20.775 -4.970 1.370 1.00 1.48 H new ATOM 0 HG3 GLU A 35 21.656 -5.353 2.836 1.00 1.48 H new ATOM 322 N ARG A 36 19.562 -0.443 2.714 1.00 1.18 N ATOM 323 CA ARG A 36 19.221 0.903 3.213 1.00 1.33 C ATOM 324 C ARG A 36 17.838 1.336 2.731 1.00 1.24 C ATOM 325 O ARG A 36 17.036 1.793 3.543 1.00 1.64 O ATOM 326 CB ARG A 36 20.287 1.932 2.800 1.00 1.43 C ATOM 327 CG ARG A 36 21.658 1.710 3.455 1.00 1.59 C ATOM 328 CD ARG A 36 21.726 2.031 4.953 1.00 2.63 C ATOM 329 NE ARG A 36 21.745 3.482 5.200 1.00 3.26 N ATOM 330 CZ ARG A 36 22.804 4.263 5.301 1.00 3.85 C ATOM 331 NH1 ARG A 36 24.020 3.839 5.091 1.00 3.99 N ATOM 332 NH2 ARG A 36 22.642 5.514 5.608 1.00 5.12 N ATOM 0 H ARG A 36 20.322 -0.451 2.033 1.00 1.18 H new ATOM 0 HA ARG A 36 19.199 0.855 4.302 1.00 1.33 H new ATOM 0 HB2 ARG A 36 20.405 1.903 1.717 1.00 1.43 H new ATOM 0 HB3 ARG A 36 19.931 2.930 3.055 1.00 1.43 H new ATOM 0 HG2 ARG A 36 21.948 0.669 3.309 1.00 1.59 H new ATOM 0 HG3 ARG A 36 22.395 2.322 2.935 1.00 1.59 H new ATOM 0 HD2 ARG A 36 20.869 1.587 5.459 1.00 2.63 H new ATOM 0 HD3 ARG A 36 22.620 1.577 5.382 1.00 2.63 H new ATOM 0 HE ARG A 36 20.837 3.935 5.305 1.00 3.26 H new ATOM 0 HH11 ARG A 36 24.184 2.865 4.836 1.00 3.99 H new ATOM 0 HH12 ARG A 36 24.807 4.482 5.181 1.00 3.99 H new ATOM 0 HH21 ARG A 36 21.704 5.883 5.768 1.00 5.12 H new ATOM 0 HH22 ARG A 36 23.452 6.128 5.689 1.00 5.12 H new ATOM 346 N CYS A 37 17.516 1.096 1.458 1.00 0.86 N ATOM 347 CA CYS A 37 16.190 1.369 0.885 1.00 0.72 C ATOM 348 C CYS A 37 15.180 0.209 1.034 1.00 0.65 C ATOM 349 O CYS A 37 14.202 0.117 0.290 1.00 0.59 O ATOM 350 CB CYS A 37 16.345 1.964 -0.522 1.00 0.63 C ATOM 351 SG CYS A 37 16.624 3.754 -0.422 1.00 0.98 S ATOM 0 H CYS A 37 18.174 0.702 0.786 1.00 0.86 H new ATOM 0 HA CYS A 37 15.702 2.136 1.486 1.00 0.72 H new ATOM 0 HB2 CYS A 37 17.180 1.487 -1.036 1.00 0.63 H new ATOM 0 HB3 CYS A 37 15.450 1.761 -1.111 1.00 0.63 H new ATOM 356 N SER A 38 15.356 -0.637 2.058 1.00 0.77 N ATOM 357 CA SER A 38 14.344 -1.599 2.538 1.00 0.81 C ATOM 358 C SER A 38 13.081 -0.922 3.112 1.00 0.84 C ATOM 359 O SER A 38 12.046 -1.570 3.299 1.00 0.91 O ATOM 360 CB SER A 38 14.969 -2.514 3.594 1.00 0.97 C ATOM 361 OG SER A 38 15.470 -1.742 4.674 1.00 1.87 O ATOM 0 H SER A 38 16.225 -0.676 2.591 1.00 0.77 H new ATOM 0 HA SER A 38 14.020 -2.177 1.673 1.00 0.81 H new ATOM 0 HB2 SER A 38 14.225 -3.223 3.958 1.00 0.97 H new ATOM 0 HB3 SER A 38 15.775 -3.098 3.149 1.00 0.97 H new ATOM 0 HG SER A 38 16.388 -1.462 4.478 1.00 1.87 H new ATOM 367 N THR A 39 13.143 0.391 3.353 1.00 0.87 N ATOM 368 CA THR A 39 12.010 1.272 3.681 1.00 0.93 C ATOM 369 C THR A 39 10.890 1.180 2.653 1.00 0.93 C ATOM 370 O THR A 39 9.728 0.988 3.001 1.00 1.00 O ATOM 371 CB THR A 39 12.488 2.731 3.761 1.00 1.13 C ATOM 372 OG1 THR A 39 13.265 3.061 2.629 1.00 2.21 O ATOM 373 CG2 THR A 39 13.404 2.939 4.957 1.00 1.59 C ATOM 0 H THR A 39 14.028 0.897 3.324 1.00 0.87 H new ATOM 0 HA THR A 39 11.617 0.942 4.643 1.00 0.93 H new ATOM 0 HB THR A 39 11.592 3.347 3.833 1.00 1.13 H new ATOM 0 HG1 THR A 39 12.680 3.168 1.850 1.00 2.21 H new ATOM 0 HG21 THR A 39 13.728 3.979 4.991 1.00 1.59 H new ATOM 0 HG22 THR A 39 12.866 2.697 5.874 1.00 1.59 H new ATOM 0 HG23 THR A 39 14.275 2.290 4.865 1.00 1.59 H new ATOM 381 N TYR A 40 11.246 1.217 1.374 1.00 0.90 N ATOM 382 CA TYR A 40 10.297 1.117 0.263 1.00 0.94 C ATOM 383 C TYR A 40 9.665 -0.275 0.159 1.00 0.94 C ATOM 384 O TYR A 40 8.459 -0.383 -0.044 1.00 1.07 O ATOM 385 CB TYR A 40 10.998 1.500 -1.039 1.00 0.84 C ATOM 386 CG TYR A 40 11.485 2.935 -1.066 1.00 0.87 C ATOM 387 CD1 TYR A 40 12.713 3.283 -0.471 1.00 1.73 C ATOM 388 CD2 TYR A 40 10.676 3.935 -1.632 1.00 2.09 C ATOM 389 CE1 TYR A 40 13.142 4.624 -0.464 1.00 1.77 C ATOM 390 CE2 TYR A 40 11.104 5.274 -1.625 1.00 2.22 C ATOM 391 CZ TYR A 40 12.341 5.625 -1.052 1.00 1.20 C ATOM 392 OH TYR A 40 12.729 6.927 -1.015 1.00 1.48 O ATOM 0 H TYR A 40 12.215 1.319 1.072 1.00 0.90 H new ATOM 0 HA TYR A 40 9.479 1.812 0.453 1.00 0.94 H new ATOM 0 HB2 TYR A 40 11.847 0.834 -1.195 1.00 0.84 H new ATOM 0 HB3 TYR A 40 10.312 1.342 -1.871 1.00 0.84 H new ATOM 0 HD1 TYR A 40 13.328 2.519 -0.019 1.00 1.73 H new ATOM 0 HD2 TYR A 40 9.725 3.675 -2.073 1.00 2.09 H new ATOM 0 HE1 TYR A 40 14.085 4.886 -0.008 1.00 1.77 H new ATOM 0 HE2 TYR A 40 10.479 6.039 -2.062 1.00 2.22 H new ATOM 0 HH TYR A 40 12.060 7.481 -1.468 1.00 1.48 H new ATOM 402 N PHE A 41 10.438 -1.342 0.390 1.00 0.85 N ATOM 403 CA PHE A 41 9.912 -2.710 0.476 1.00 0.89 C ATOM 404 C PHE A 41 8.911 -2.862 1.640 1.00 0.85 C ATOM 405 O PHE A 41 7.872 -3.517 1.491 1.00 0.92 O ATOM 406 CB PHE A 41 11.096 -3.688 0.583 1.00 0.94 C ATOM 407 CG PHE A 41 10.731 -5.135 0.867 1.00 2.17 C ATOM 408 CD1 PHE A 41 9.788 -5.808 0.065 1.00 2.95 C ATOM 409 CD2 PHE A 41 11.347 -5.819 1.934 1.00 3.81 C ATOM 410 CE1 PHE A 41 9.453 -7.148 0.336 1.00 4.26 C ATOM 411 CE2 PHE A 41 11.016 -7.160 2.202 1.00 5.09 C ATOM 412 CZ PHE A 41 10.068 -7.824 1.405 1.00 5.06 C ATOM 0 H PHE A 41 11.448 -1.282 0.523 1.00 0.85 H new ATOM 0 HA PHE A 41 9.348 -2.943 -0.427 1.00 0.89 H new ATOM 0 HB2 PHE A 41 11.660 -3.651 -0.349 1.00 0.94 H new ATOM 0 HB3 PHE A 41 11.762 -3.339 1.372 1.00 0.94 H new ATOM 0 HD1 PHE A 41 9.320 -5.293 -0.761 1.00 2.95 H new ATOM 0 HD2 PHE A 41 12.076 -5.312 2.549 1.00 3.81 H new ATOM 0 HE1 PHE A 41 8.724 -7.657 -0.277 1.00 4.26 H new ATOM 0 HE2 PHE A 41 11.491 -7.680 3.021 1.00 5.09 H new ATOM 0 HZ PHE A 41 9.812 -8.852 1.613 1.00 5.06 H new ATOM 422 N LEU A 42 9.160 -2.208 2.782 1.00 0.84 N ATOM 423 CA LEU A 42 8.189 -2.133 3.880 1.00 0.92 C ATOM 424 C LEU A 42 6.926 -1.364 3.491 1.00 0.99 C ATOM 425 O LEU A 42 5.826 -1.883 3.657 1.00 1.05 O ATOM 426 CB LEU A 42 8.880 -1.572 5.142 1.00 1.01 C ATOM 427 CG LEU A 42 7.945 -1.105 6.277 1.00 1.19 C ATOM 428 CD1 LEU A 42 7.070 -2.230 6.828 1.00 1.29 C ATOM 429 CD2 LEU A 42 8.778 -0.535 7.425 1.00 1.32 C ATOM 0 H LEU A 42 10.035 -1.719 2.970 1.00 0.84 H new ATOM 0 HA LEU A 42 7.839 -3.140 4.109 1.00 0.92 H new ATOM 0 HB2 LEU A 42 9.545 -2.339 5.539 1.00 1.01 H new ATOM 0 HB3 LEU A 42 9.506 -0.731 4.845 1.00 1.01 H new ATOM 0 HG LEU A 42 7.288 -0.348 5.850 1.00 1.19 H new ATOM 0 HD11 LEU A 42 6.434 -1.840 7.623 1.00 1.29 H new ATOM 0 HD12 LEU A 42 6.447 -2.631 6.029 1.00 1.29 H new ATOM 0 HD13 LEU A 42 7.704 -3.022 7.226 1.00 1.29 H new ATOM 0 HD21 LEU A 42 8.116 -0.205 8.226 1.00 1.32 H new ATOM 0 HD22 LEU A 42 9.451 -1.305 7.804 1.00 1.32 H new ATOM 0 HD23 LEU A 42 9.362 0.312 7.065 1.00 1.32 H new ATOM 441 N ARG A 43 7.057 -0.171 2.912 1.00 1.00 N ATOM 442 CA ARG A 43 5.900 0.651 2.515 1.00 1.05 C ATOM 443 C ARG A 43 5.106 0.034 1.364 1.00 1.06 C ATOM 444 O ARG A 43 3.898 0.234 1.275 1.00 1.16 O ATOM 445 CB ARG A 43 6.362 2.088 2.247 1.00 1.02 C ATOM 446 CG ARG A 43 6.879 2.689 3.562 1.00 1.21 C ATOM 447 CD ARG A 43 7.417 4.107 3.393 1.00 1.28 C ATOM 448 NE ARG A 43 7.762 4.686 4.702 1.00 2.48 N ATOM 449 CZ ARG A 43 6.965 5.358 5.507 1.00 3.81 C ATOM 450 NH1 ARG A 43 5.708 5.589 5.268 1.00 4.61 N ATOM 451 NH2 ARG A 43 7.416 5.811 6.631 1.00 5.33 N ATOM 0 H ARG A 43 7.959 0.256 2.703 1.00 1.00 H new ATOM 0 HA ARG A 43 5.189 0.681 3.341 1.00 1.05 H new ATOM 0 HB2 ARG A 43 7.148 2.098 1.492 1.00 1.02 H new ATOM 0 HB3 ARG A 43 5.537 2.684 1.857 1.00 1.02 H new ATOM 0 HG2 ARG A 43 6.072 2.696 4.295 1.00 1.21 H new ATOM 0 HG3 ARG A 43 7.667 2.052 3.962 1.00 1.21 H new ATOM 0 HD2 ARG A 43 8.298 4.094 2.751 1.00 1.28 H new ATOM 0 HD3 ARG A 43 6.671 4.729 2.899 1.00 1.28 H new ATOM 0 HE ARG A 43 8.722 4.552 5.020 1.00 2.48 H new ATOM 0 HH11 ARG A 43 5.280 5.241 4.410 1.00 4.61 H new ATOM 0 HH12 ARG A 43 5.150 6.118 5.938 1.00 4.61 H new ATOM 0 HH21 ARG A 43 8.388 5.648 6.893 1.00 5.33 H new ATOM 0 HH22 ARG A 43 6.800 6.332 7.255 1.00 5.33 H new ATOM 465 N TYR A 44 5.740 -0.831 0.574 1.00 1.00 N ATOM 466 CA TYR A 44 5.064 -1.661 -0.425 1.00 1.04 C ATOM 467 C TYR A 44 4.271 -2.775 0.264 1.00 1.03 C ATOM 468 O TYR A 44 3.088 -2.949 -0.029 1.00 1.08 O ATOM 469 CB TYR A 44 6.083 -2.195 -1.442 1.00 1.04 C ATOM 470 CG TYR A 44 5.519 -3.071 -2.545 1.00 1.07 C ATOM 471 CD1 TYR A 44 5.093 -4.388 -2.275 1.00 2.31 C ATOM 472 CD2 TYR A 44 5.492 -2.590 -3.867 1.00 1.98 C ATOM 473 CE1 TYR A 44 4.597 -5.200 -3.313 1.00 2.35 C ATOM 474 CE2 TYR A 44 5.041 -3.415 -4.915 1.00 2.05 C ATOM 475 CZ TYR A 44 4.573 -4.714 -4.638 1.00 1.25 C ATOM 476 OH TYR A 44 4.081 -5.484 -5.642 1.00 1.39 O ATOM 0 H TYR A 44 6.749 -0.978 0.609 1.00 1.00 H new ATOM 0 HA TYR A 44 4.345 -1.059 -0.981 1.00 1.04 H new ATOM 0 HB2 TYR A 44 6.589 -1.346 -1.901 1.00 1.04 H new ATOM 0 HB3 TYR A 44 6.841 -2.764 -0.904 1.00 1.04 H new ATOM 0 HD1 TYR A 44 5.147 -4.775 -1.268 1.00 2.31 H new ATOM 0 HD2 TYR A 44 5.819 -1.583 -4.079 1.00 1.98 H new ATOM 0 HE1 TYR A 44 4.235 -6.194 -3.095 1.00 2.35 H new ATOM 0 HE2 TYR A 44 5.054 -3.051 -5.932 1.00 2.05 H new ATOM 0 HH TYR A 44 4.139 -4.994 -6.489 1.00 1.39 H new ATOM 486 N LYS A 45 4.865 -3.481 1.241 1.00 1.01 N ATOM 487 CA LYS A 45 4.117 -4.457 2.052 1.00 1.07 C ATOM 488 C LYS A 45 2.953 -3.796 2.799 1.00 1.16 C ATOM 489 O LYS A 45 1.862 -4.349 2.781 1.00 1.29 O ATOM 490 CB LYS A 45 5.060 -5.230 2.988 1.00 1.07 C ATOM 491 CG LYS A 45 4.334 -6.426 3.632 1.00 1.83 C ATOM 492 CD LYS A 45 5.191 -7.167 4.664 1.00 1.94 C ATOM 493 CE LYS A 45 6.329 -7.986 4.044 1.00 2.41 C ATOM 494 NZ LYS A 45 7.277 -8.426 5.094 1.00 2.60 N ATOM 0 H LYS A 45 5.851 -3.396 1.487 1.00 1.01 H new ATOM 0 HA LYS A 45 3.670 -5.187 1.378 1.00 1.07 H new ATOM 0 HB2 LYS A 45 5.926 -5.583 2.428 1.00 1.07 H new ATOM 0 HB3 LYS A 45 5.434 -4.564 3.766 1.00 1.07 H new ATOM 0 HG2 LYS A 45 3.422 -6.073 4.113 1.00 1.83 H new ATOM 0 HG3 LYS A 45 4.033 -7.124 2.851 1.00 1.83 H new ATOM 0 HD2 LYS A 45 5.614 -6.442 5.360 1.00 1.94 H new ATOM 0 HD3 LYS A 45 4.551 -7.831 5.245 1.00 1.94 H new ATOM 0 HE2 LYS A 45 5.921 -8.854 3.526 1.00 2.41 H new ATOM 0 HE3 LYS A 45 6.853 -7.387 3.299 1.00 2.41 H new ATOM 0 HZ1 LYS A 45 8.043 -8.980 4.660 1.00 2.60 H new ATOM 0 HZ2 LYS A 45 7.679 -7.593 5.570 1.00 2.60 H new ATOM 0 HZ3 LYS A 45 6.776 -9.014 5.790 1.00 2.60 H new ATOM 508 N ASN A 46 3.116 -2.594 3.358 1.00 1.15 N ATOM 509 CA ASN A 46 2.023 -1.823 3.974 1.00 1.25 C ATOM 510 C ASN A 46 0.900 -1.511 2.960 1.00 1.33 C ATOM 511 O ASN A 46 -0.275 -1.712 3.248 1.00 1.50 O ATOM 512 CB ASN A 46 2.569 -0.505 4.556 1.00 1.27 C ATOM 513 CG ASN A 46 3.631 -0.631 5.637 1.00 1.22 C ATOM 514 OD1 ASN A 46 3.770 -1.633 6.329 1.00 1.24 O ATOM 515 ND2 ASN A 46 4.391 0.419 5.824 1.00 1.22 N ATOM 0 H ASN A 46 4.018 -2.120 3.398 1.00 1.15 H new ATOM 0 HA ASN A 46 1.600 -2.434 4.772 1.00 1.25 H new ATOM 0 HB2 ASN A 46 2.983 0.084 3.738 1.00 1.27 H new ATOM 0 HB3 ASN A 46 1.732 0.061 4.964 1.00 1.27 H new ATOM 0 HD21 ASN A 46 5.107 0.408 6.551 1.00 1.22 H new ATOM 0 HD22 ASN A 46 4.267 1.248 5.243 1.00 1.22 H new ATOM 522 N CYS A 47 1.251 -1.083 1.744 1.00 1.25 N ATOM 523 CA CYS A 47 0.326 -0.769 0.647 1.00 1.33 C ATOM 524 C CYS A 47 -0.490 -1.968 0.129 1.00 1.53 C ATOM 525 O CYS A 47 -1.564 -1.796 -0.453 1.00 2.11 O ATOM 526 CB CYS A 47 1.211 -0.179 -0.454 1.00 1.24 C ATOM 527 SG CYS A 47 0.472 0.503 -1.956 1.00 2.19 S ATOM 0 H CYS A 47 2.227 -0.939 1.485 1.00 1.25 H new ATOM 0 HA CYS A 47 -0.443 -0.081 0.997 1.00 1.33 H new ATOM 0 HB2 CYS A 47 1.805 0.613 0.001 1.00 1.24 H new ATOM 0 HB3 CYS A 47 1.905 -0.961 -0.763 1.00 1.24 H new ATOM 532 N ARG A 48 -0.006 -3.185 0.380 1.00 1.20 N ATOM 533 CA ARG A 48 -0.758 -4.447 0.228 1.00 1.23 C ATOM 534 C ARG A 48 -1.547 -4.788 1.497 1.00 1.16 C ATOM 535 O ARG A 48 -2.766 -4.935 1.452 1.00 1.09 O ATOM 536 CB ARG A 48 0.225 -5.584 -0.142 1.00 1.31 C ATOM 537 CG ARG A 48 1.110 -5.329 -1.382 1.00 1.37 C ATOM 538 CD ARG A 48 0.474 -5.761 -2.705 1.00 2.19 C ATOM 539 NE ARG A 48 0.586 -7.216 -2.904 1.00 2.68 N ATOM 540 CZ ARG A 48 -0.351 -8.132 -2.760 1.00 3.48 C ATOM 541 NH1 ARG A 48 -1.605 -7.857 -2.563 1.00 4.20 N ATOM 542 NH2 ARG A 48 -0.024 -9.383 -2.818 1.00 4.25 N ATOM 0 H ARG A 48 0.949 -3.332 0.705 1.00 1.20 H new ATOM 0 HA ARG A 48 -1.487 -4.328 -0.573 1.00 1.23 H new ATOM 0 HB2 ARG A 48 0.875 -5.770 0.713 1.00 1.31 H new ATOM 0 HB3 ARG A 48 -0.349 -6.495 -0.310 1.00 1.31 H new ATOM 0 HG2 ARG A 48 1.345 -4.266 -1.435 1.00 1.37 H new ATOM 0 HG3 ARG A 48 2.054 -5.858 -1.256 1.00 1.37 H new ATOM 0 HD2 ARG A 48 -0.576 -5.470 -2.718 1.00 2.19 H new ATOM 0 HD3 ARG A 48 0.959 -5.241 -3.531 1.00 2.19 H new ATOM 0 HE ARG A 48 1.504 -7.558 -3.189 1.00 2.68 H new ATOM 0 HH11 ARG A 48 -1.912 -6.886 -2.512 1.00 4.20 H new ATOM 0 HH12 ARG A 48 -2.283 -8.612 -2.459 1.00 4.20 H new ATOM 0 HH21 ARG A 48 0.948 -9.649 -2.973 1.00 4.25 H new ATOM 0 HH22 ARG A 48 -0.739 -10.103 -2.708 1.00 4.25 H new ATOM 556 N ARG A 49 -0.869 -4.835 2.648 1.00 1.19 N ATOM 557 CA ARG A 49 -1.395 -5.233 3.965 1.00 1.15 C ATOM 558 C ARG A 49 -2.553 -4.365 4.442 1.00 0.97 C ATOM 559 O ARG A 49 -3.484 -4.908 5.030 1.00 0.83 O ATOM 560 CB ARG A 49 -0.224 -5.255 4.963 1.00 1.28 C ATOM 561 CG ARG A 49 -0.619 -5.584 6.415 1.00 1.18 C ATOM 562 CD ARG A 49 0.598 -5.989 7.261 1.00 1.63 C ATOM 563 NE ARG A 49 1.681 -4.992 7.201 1.00 2.19 N ATOM 564 CZ ARG A 49 2.970 -5.228 7.350 1.00 3.03 C ATOM 565 NH1 ARG A 49 3.443 -6.342 7.825 1.00 3.26 N ATOM 566 NH2 ARG A 49 3.853 -4.338 7.018 1.00 4.51 N ATOM 0 H ARG A 49 0.118 -4.583 2.692 1.00 1.19 H new ATOM 0 HA ARG A 49 -1.828 -6.230 3.883 1.00 1.15 H new ATOM 0 HB2 ARG A 49 0.509 -5.988 4.626 1.00 1.28 H new ATOM 0 HB3 ARG A 49 0.267 -4.282 4.946 1.00 1.28 H new ATOM 0 HG2 ARG A 49 -1.102 -4.717 6.865 1.00 1.18 H new ATOM 0 HG3 ARG A 49 -1.349 -6.393 6.418 1.00 1.18 H new ATOM 0 HD2 ARG A 49 0.288 -6.123 8.297 1.00 1.63 H new ATOM 0 HD3 ARG A 49 0.974 -6.951 6.914 1.00 1.63 H new ATOM 0 HE ARG A 49 1.407 -4.025 7.027 1.00 2.19 H new ATOM 0 HH11 ARG A 49 2.806 -7.088 8.104 1.00 3.26 H new ATOM 0 HH12 ARG A 49 4.451 -6.470 7.918 1.00 3.26 H new ATOM 0 HH21 ARG A 49 3.554 -3.441 6.636 1.00 4.51 H new ATOM 0 HH22 ARG A 49 4.846 -4.535 7.139 1.00 4.51 H new ATOM 580 N PHE A 50 -2.562 -3.061 4.155 1.00 1.00 N ATOM 581 CA PHE A 50 -3.689 -2.184 4.483 1.00 0.87 C ATOM 582 C PHE A 50 -4.963 -2.645 3.774 1.00 0.77 C ATOM 583 O PHE A 50 -5.978 -2.953 4.400 1.00 0.65 O ATOM 584 CB PHE A 50 -3.350 -0.748 4.066 1.00 0.94 C ATOM 585 CG PHE A 50 -4.397 0.267 4.482 1.00 0.75 C ATOM 586 CD1 PHE A 50 -4.442 0.738 5.808 1.00 1.75 C ATOM 587 CD2 PHE A 50 -5.349 0.724 3.549 1.00 2.17 C ATOM 588 CE1 PHE A 50 -5.432 1.659 6.197 1.00 1.87 C ATOM 589 CE2 PHE A 50 -6.342 1.639 3.939 1.00 2.03 C ATOM 590 CZ PHE A 50 -6.384 2.107 5.264 1.00 0.63 C ATOM 0 H PHE A 50 -1.790 -2.584 3.690 1.00 1.00 H new ATOM 0 HA PHE A 50 -3.865 -2.225 5.558 1.00 0.87 H new ATOM 0 HB2 PHE A 50 -2.391 -0.468 4.502 1.00 0.94 H new ATOM 0 HB3 PHE A 50 -3.230 -0.711 2.983 1.00 0.94 H new ATOM 0 HD1 PHE A 50 -3.715 0.392 6.528 1.00 1.75 H new ATOM 0 HD2 PHE A 50 -5.315 0.369 2.529 1.00 2.17 H new ATOM 0 HE1 PHE A 50 -5.461 2.022 7.214 1.00 1.87 H new ATOM 0 HE2 PHE A 50 -7.072 1.982 3.221 1.00 2.03 H new ATOM 0 HZ PHE A 50 -7.147 2.810 5.565 1.00 0.63 H new ATOM 600 N TRP A 51 -4.882 -2.768 2.451 1.00 0.86 N ATOM 601 CA TRP A 51 -6.039 -3.121 1.632 1.00 0.81 C ATOM 602 C TRP A 51 -6.455 -4.590 1.799 1.00 0.79 C ATOM 603 O TRP A 51 -7.650 -4.859 1.878 1.00 0.69 O ATOM 604 CB TRP A 51 -5.782 -2.674 0.193 1.00 0.89 C ATOM 605 CG TRP A 51 -5.774 -1.174 0.034 1.00 0.86 C ATOM 606 CD1 TRP A 51 -4.684 -0.425 -0.252 1.00 0.93 C ATOM 607 CD2 TRP A 51 -6.865 -0.205 0.222 1.00 0.74 C ATOM 608 NE1 TRP A 51 -5.039 0.898 -0.370 1.00 0.88 N ATOM 609 CE2 TRP A 51 -6.353 1.103 -0.038 1.00 0.76 C ATOM 610 CE3 TRP A 51 -8.223 -0.274 0.619 1.00 0.65 C ATOM 611 CZ2 TRP A 51 -7.125 2.265 0.072 1.00 0.69 C ATOM 612 CZ3 TRP A 51 -9.002 0.897 0.772 1.00 0.59 C ATOM 613 CH2 TRP A 51 -8.454 2.165 0.504 1.00 0.62 C ATOM 0 H TRP A 51 -4.022 -2.627 1.921 1.00 0.86 H new ATOM 0 HA TRP A 51 -6.920 -2.581 1.980 1.00 0.81 H new ATOM 0 HB2 TRP A 51 -4.825 -3.074 -0.140 1.00 0.89 H new ATOM 0 HB3 TRP A 51 -6.548 -3.098 -0.456 1.00 0.89 H new ATOM 0 HD1 TRP A 51 -3.682 -0.810 -0.370 1.00 0.93 H new ATOM 0 HE1 TRP A 51 -4.402 1.637 -0.668 1.00 0.88 H new ATOM 0 HE3 TRP A 51 -8.672 -1.238 0.808 1.00 0.65 H new ATOM 0 HZ2 TRP A 51 -6.701 3.228 -0.173 1.00 0.69 H new ATOM 0 HZ3 TRP A 51 -10.028 0.817 1.098 1.00 0.59 H new ATOM 0 HH2 TRP A 51 -9.053 3.054 0.630 1.00 0.62 H new ATOM 624 N ASN A 52 -5.518 -5.519 2.021 1.00 0.89 N ATOM 625 CA ASN A 52 -5.819 -6.877 2.470 1.00 0.88 C ATOM 626 C ASN A 52 -6.500 -6.902 3.859 1.00 0.74 C ATOM 627 O ASN A 52 -7.422 -7.690 4.068 1.00 0.69 O ATOM 628 CB ASN A 52 -4.511 -7.684 2.450 1.00 1.07 C ATOM 629 CG ASN A 52 -4.121 -8.226 1.081 1.00 1.39 C ATOM 630 OD1 ASN A 52 -4.919 -8.346 0.158 1.00 1.79 O ATOM 631 ND2 ASN A 52 -2.882 -8.615 0.909 1.00 1.52 N ATOM 0 H ASN A 52 -4.521 -5.344 1.892 1.00 0.89 H new ATOM 0 HA ASN A 52 -6.542 -7.332 1.793 1.00 0.88 H new ATOM 0 HB2 ASN A 52 -3.704 -7.052 2.819 1.00 1.07 H new ATOM 0 HB3 ASN A 52 -4.604 -8.519 3.144 1.00 1.07 H new ATOM 0 HD21 ASN A 52 -2.591 -9.012 0.015 1.00 1.52 H new ATOM 0 HD22 ASN A 52 -2.208 -8.521 1.669 1.00 1.52 H new ATOM 638 N SER A 53 -6.140 -6.000 4.784 1.00 0.72 N ATOM 639 CA SER A 53 -6.858 -5.850 6.062 1.00 0.64 C ATOM 640 C SER A 53 -8.303 -5.389 5.837 1.00 0.57 C ATOM 641 O SER A 53 -9.215 -5.953 6.436 1.00 0.54 O ATOM 642 CB SER A 53 -6.166 -4.879 7.034 1.00 0.66 C ATOM 643 OG SER A 53 -4.805 -5.209 7.261 1.00 1.45 O ATOM 0 H SER A 53 -5.353 -5.361 4.672 1.00 0.72 H new ATOM 0 HA SER A 53 -6.852 -6.840 6.518 1.00 0.64 H new ATOM 0 HB2 SER A 53 -6.229 -3.866 6.636 1.00 0.66 H new ATOM 0 HB3 SER A 53 -6.700 -4.881 7.984 1.00 0.66 H new ATOM 0 HG SER A 53 -4.312 -5.163 6.415 1.00 1.45 H new ATOM 649 N ILE A 54 -8.539 -4.424 4.935 1.00 0.56 N ATOM 650 CA ILE A 54 -9.896 -3.981 4.561 1.00 0.52 C ATOM 651 C ILE A 54 -10.702 -5.121 3.922 1.00 0.52 C ATOM 652 O ILE A 54 -11.863 -5.318 4.272 1.00 0.51 O ATOM 653 CB ILE A 54 -9.819 -2.732 3.650 1.00 0.55 C ATOM 654 CG1 ILE A 54 -9.173 -1.522 4.366 1.00 0.56 C ATOM 655 CG2 ILE A 54 -11.195 -2.337 3.084 1.00 0.59 C ATOM 656 CD1 ILE A 54 -9.924 -1.006 5.601 1.00 0.57 C ATOM 0 H ILE A 54 -7.796 -3.927 4.443 1.00 0.56 H new ATOM 0 HA ILE A 54 -10.432 -3.697 5.467 1.00 0.52 H new ATOM 0 HB ILE A 54 -9.177 -3.015 2.816 1.00 0.55 H new ATOM 0 HG12 ILE A 54 -8.162 -1.797 4.666 1.00 0.56 H new ATOM 0 HG13 ILE A 54 -9.082 -0.705 3.650 1.00 0.56 H new ATOM 0 HG21 ILE A 54 -11.089 -1.456 2.451 1.00 0.59 H new ATOM 0 HG22 ILE A 54 -11.596 -3.161 2.494 1.00 0.59 H new ATOM 0 HG23 ILE A 54 -11.876 -2.114 3.905 1.00 0.59 H new ATOM 0 HD11 ILE A 54 -9.386 -0.158 6.026 1.00 0.57 H new ATOM 0 HD12 ILE A 54 -10.927 -0.692 5.312 1.00 0.57 H new ATOM 0 HD13 ILE A 54 -9.993 -1.801 6.344 1.00 0.57 H new ATOM 668 N VAL A 55 -10.084 -5.929 3.056 1.00 0.58 N ATOM 669 CA VAL A 55 -10.699 -7.131 2.465 1.00 0.63 C ATOM 670 C VAL A 55 -11.132 -8.122 3.548 1.00 0.62 C ATOM 671 O VAL A 55 -12.290 -8.533 3.564 1.00 0.61 O ATOM 672 CB VAL A 55 -9.734 -7.771 1.446 1.00 0.74 C ATOM 673 CG1 VAL A 55 -10.117 -9.188 1.003 1.00 0.84 C ATOM 674 CG2 VAL A 55 -9.657 -6.900 0.189 1.00 0.78 C ATOM 0 H VAL A 55 -9.128 -5.768 2.738 1.00 0.58 H new ATOM 0 HA VAL A 55 -11.603 -6.837 1.932 1.00 0.63 H new ATOM 0 HB VAL A 55 -8.779 -7.840 1.966 1.00 0.74 H new ATOM 0 HG11 VAL A 55 -9.382 -9.557 0.287 1.00 0.84 H new ATOM 0 HG12 VAL A 55 -10.140 -9.847 1.871 1.00 0.84 H new ATOM 0 HG13 VAL A 55 -11.101 -9.169 0.535 1.00 0.84 H new ATOM 0 HG21 VAL A 55 -8.974 -7.356 -0.528 1.00 0.78 H new ATOM 0 HG22 VAL A 55 -10.648 -6.816 -0.257 1.00 0.78 H new ATOM 0 HG23 VAL A 55 -9.294 -5.908 0.456 1.00 0.78 H new ATOM 684 N MET A 56 -10.265 -8.455 4.511 1.00 0.66 N ATOM 685 CA MET A 56 -10.624 -9.358 5.616 1.00 0.72 C ATOM 686 C MET A 56 -11.709 -8.770 6.534 1.00 0.67 C ATOM 687 O MET A 56 -12.622 -9.488 6.955 1.00 0.72 O ATOM 688 CB MET A 56 -9.380 -9.708 6.444 1.00 0.87 C ATOM 689 CG MET A 56 -8.350 -10.554 5.690 1.00 1.00 C ATOM 690 SD MET A 56 -8.937 -12.161 5.081 1.00 1.85 S ATOM 691 CE MET A 56 -7.356 -12.811 4.476 1.00 2.69 C ATOM 0 H MET A 56 -9.305 -8.112 4.549 1.00 0.66 H new ATOM 0 HA MET A 56 -11.034 -10.261 5.163 1.00 0.72 H new ATOM 0 HB2 MET A 56 -8.905 -8.785 6.775 1.00 0.87 H new ATOM 0 HB3 MET A 56 -9.691 -10.245 7.340 1.00 0.87 H new ATOM 0 HG2 MET A 56 -7.986 -9.976 4.841 1.00 1.00 H new ATOM 0 HG3 MET A 56 -7.498 -10.726 6.348 1.00 1.00 H new ATOM 0 HE1 MET A 56 -7.508 -13.806 4.057 1.00 2.69 H new ATOM 0 HE2 MET A 56 -6.962 -12.149 3.705 1.00 2.69 H new ATOM 0 HE3 MET A 56 -6.647 -12.869 5.302 1.00 2.69 H new ATOM 701 N GLN A 57 -11.658 -7.464 6.812 1.00 0.64 N ATOM 702 CA GLN A 57 -12.671 -6.753 7.604 1.00 0.68 C ATOM 703 C GLN A 57 -14.016 -6.611 6.872 1.00 0.67 C ATOM 704 O GLN A 57 -15.056 -6.551 7.526 1.00 0.86 O ATOM 705 CB GLN A 57 -12.132 -5.383 8.051 1.00 0.72 C ATOM 706 CG GLN A 57 -11.037 -5.473 9.129 1.00 0.88 C ATOM 707 CD GLN A 57 -11.556 -6.083 10.426 1.00 0.85 C ATOM 708 OE1 GLN A 57 -12.346 -5.482 11.145 1.00 1.40 O ATOM 709 NE2 GLN A 57 -11.184 -7.305 10.739 1.00 1.32 N ATOM 0 H GLN A 57 -10.902 -6.860 6.489 1.00 0.64 H new ATOM 0 HA GLN A 57 -12.872 -7.361 8.486 1.00 0.68 H new ATOM 0 HB2 GLN A 57 -11.733 -4.858 7.183 1.00 0.72 H new ATOM 0 HB3 GLN A 57 -12.958 -4.784 8.434 1.00 0.72 H new ATOM 0 HG2 GLN A 57 -10.208 -6.073 8.753 1.00 0.88 H new ATOM 0 HG3 GLN A 57 -10.644 -4.476 9.330 1.00 0.88 H new ATOM 0 HE21 GLN A 57 -10.527 -7.807 10.142 1.00 1.32 H new ATOM 0 HE22 GLN A 57 -11.553 -7.751 11.579 1.00 1.32 H new ATOM 718 N ARG A 58 -14.041 -6.660 5.537 1.00 0.57 N ATOM 719 CA ARG A 58 -15.270 -6.777 4.729 1.00 0.64 C ATOM 720 C ARG A 58 -15.740 -8.222 4.530 1.00 0.67 C ATOM 721 O ARG A 58 -16.927 -8.464 4.315 1.00 0.72 O ATOM 722 CB ARG A 58 -15.055 -6.032 3.403 1.00 0.66 C ATOM 723 CG ARG A 58 -15.083 -4.512 3.633 1.00 0.88 C ATOM 724 CD ARG A 58 -14.836 -3.719 2.340 1.00 0.94 C ATOM 725 NE ARG A 58 -15.506 -2.400 2.307 1.00 1.03 N ATOM 726 CZ ARG A 58 -15.403 -1.394 3.162 1.00 1.68 C ATOM 727 NH1 ARG A 58 -14.668 -1.424 4.233 1.00 2.75 N ATOM 728 NH2 ARG A 58 -16.045 -0.278 2.991 1.00 1.91 N ATOM 0 H ARG A 58 -13.193 -6.619 4.971 1.00 0.57 H new ATOM 0 HA ARG A 58 -16.089 -6.311 5.277 1.00 0.64 H new ATOM 0 HB2 ARG A 58 -14.100 -6.323 2.966 1.00 0.66 H new ATOM 0 HB3 ARG A 58 -15.831 -6.313 2.690 1.00 0.66 H new ATOM 0 HG2 ARG A 58 -16.049 -4.228 4.051 1.00 0.88 H new ATOM 0 HG3 ARG A 58 -14.326 -4.245 4.370 1.00 0.88 H new ATOM 0 HD2 ARG A 58 -13.763 -3.574 2.214 1.00 0.94 H new ATOM 0 HD3 ARG A 58 -15.179 -4.311 1.491 1.00 0.94 H new ATOM 0 HE ARG A 58 -16.133 -2.244 1.518 1.00 1.03 H new ATOM 0 HH11 ARG A 58 -14.126 -2.259 4.456 1.00 2.75 H new ATOM 0 HH12 ARG A 58 -14.633 -0.613 4.851 1.00 2.75 H new ATOM 0 HH21 ARG A 58 -16.650 -0.157 2.179 1.00 1.91 H new ATOM 0 HH22 ARG A 58 -15.944 0.478 3.669 1.00 1.91 H new ATOM 742 N ARG A 59 -14.835 -9.196 4.653 1.00 0.72 N ATOM 743 CA ARG A 59 -15.137 -10.633 4.530 1.00 0.84 C ATOM 744 C ARG A 59 -15.776 -11.243 5.781 1.00 0.94 C ATOM 745 O ARG A 59 -16.528 -12.211 5.650 1.00 1.07 O ATOM 746 CB ARG A 59 -13.903 -11.396 4.010 1.00 0.89 C ATOM 747 CG ARG A 59 -14.254 -12.864 3.726 1.00 1.10 C ATOM 748 CD ARG A 59 -13.308 -13.570 2.751 1.00 1.40 C ATOM 749 NE ARG A 59 -13.840 -14.913 2.454 1.00 2.10 N ATOM 750 CZ ARG A 59 -13.771 -15.616 1.342 1.00 2.97 C ATOM 751 NH1 ARG A 59 -13.079 -15.269 0.300 1.00 3.31 N ATOM 752 NH2 ARG A 59 -14.440 -16.722 1.262 1.00 3.75 N ATOM 0 H ARG A 59 -13.851 -9.009 4.845 1.00 0.72 H new ATOM 0 HA ARG A 59 -15.921 -10.742 3.780 1.00 0.84 H new ATOM 0 HB2 ARG A 59 -13.533 -10.923 3.101 1.00 0.89 H new ATOM 0 HB3 ARG A 59 -13.100 -11.344 4.746 1.00 0.89 H new ATOM 0 HG2 ARG A 59 -14.258 -13.412 4.668 1.00 1.10 H new ATOM 0 HG3 ARG A 59 -15.267 -12.911 3.326 1.00 1.10 H new ATOM 0 HD2 ARG A 59 -13.213 -12.991 1.832 1.00 1.40 H new ATOM 0 HD3 ARG A 59 -12.310 -13.647 3.184 1.00 1.40 H new ATOM 0 HE ARG A 59 -14.335 -15.364 3.223 1.00 2.10 H new ATOM 0 HH11 ARG A 59 -12.542 -14.402 0.310 1.00 3.31 H new ATOM 0 HH12 ARG A 59 -13.072 -15.864 -0.529 1.00 3.31 H new ATOM 0 HH21 ARG A 59 -15.006 -17.034 2.051 1.00 3.75 H new ATOM 0 HH22 ARG A 59 -14.400 -17.281 0.410 1.00 3.75 H new ATOM 766 N LYS A 60 -15.605 -10.648 6.969 1.00 0.98 N ATOM 767 CA LYS A 60 -16.237 -11.137 8.216 1.00 1.23 C ATOM 768 C LYS A 60 -17.773 -11.220 8.152 1.00 1.41 C ATOM 769 O LYS A 60 -18.340 -12.118 8.776 1.00 1.53 O ATOM 770 CB LYS A 60 -15.723 -10.352 9.440 1.00 1.49 C ATOM 771 CG LYS A 60 -16.211 -8.901 9.506 1.00 1.67 C ATOM 772 CD LYS A 60 -15.396 -8.046 10.488 1.00 1.98 C ATOM 773 CE LYS A 60 -15.936 -6.609 10.541 1.00 2.10 C ATOM 774 NZ LYS A 60 -15.143 -5.739 11.446 1.00 2.66 N ATOM 0 H LYS A 60 -15.028 -9.817 7.100 1.00 0.98 H new ATOM 0 HA LYS A 60 -15.923 -12.174 8.335 1.00 1.23 H new ATOM 0 HB2 LYS A 60 -16.035 -10.870 10.347 1.00 1.49 H new ATOM 0 HB3 LYS A 60 -14.633 -10.357 9.429 1.00 1.49 H new ATOM 0 HG2 LYS A 60 -16.155 -8.458 8.512 1.00 1.67 H new ATOM 0 HG3 LYS A 60 -17.260 -8.888 9.803 1.00 1.67 H new ATOM 0 HD2 LYS A 60 -15.435 -8.490 11.483 1.00 1.98 H new ATOM 0 HD3 LYS A 60 -14.349 -8.035 10.185 1.00 1.98 H new ATOM 0 HE2 LYS A 60 -15.931 -6.185 9.537 1.00 2.10 H new ATOM 0 HE3 LYS A 60 -16.974 -6.626 10.875 1.00 2.10 H new ATOM 0 HZ1 LYS A 60 -15.493 -4.762 11.383 1.00 2.66 H new ATOM 0 HZ2 LYS A 60 -15.237 -6.078 12.425 1.00 2.66 H new ATOM 0 HZ3 LYS A 60 -14.142 -5.767 11.165 1.00 2.66 H new ATOM 788 N ASN A 61 -18.447 -10.376 7.354 1.00 1.48 N ATOM 789 CA ASN A 61 -19.894 -10.491 7.088 1.00 1.72 C ATOM 790 C ASN A 61 -20.286 -11.311 5.839 1.00 1.63 C ATOM 791 O ASN A 61 -21.472 -11.590 5.653 1.00 1.77 O ATOM 792 CB ASN A 61 -20.524 -9.091 7.060 1.00 2.02 C ATOM 793 CG ASN A 61 -20.747 -8.574 8.460 1.00 2.37 C ATOM 794 OD1 ASN A 61 -21.718 -8.932 9.112 1.00 2.56 O ATOM 795 ND2 ASN A 61 -19.848 -7.778 8.969 1.00 2.58 N ATOM 0 H ASN A 61 -18.005 -9.593 6.873 1.00 1.48 H new ATOM 0 HA ASN A 61 -20.298 -11.077 7.914 1.00 1.72 H new ATOM 0 HB2 ASN A 61 -19.875 -8.406 6.514 1.00 2.02 H new ATOM 0 HB3 ASN A 61 -21.473 -9.125 6.525 1.00 2.02 H new ATOM 0 HD21 ASN A 61 -19.948 -7.443 9.927 1.00 2.58 H new ATOM 0 HD22 ASN A 61 -19.045 -7.491 8.409 1.00 2.58 H new ATOM 802 N GLY A 62 -19.330 -11.699 4.985 1.00 1.48 N ATOM 803 CA GLY A 62 -19.528 -12.691 3.916 1.00 1.52 C ATOM 804 C GLY A 62 -20.496 -12.300 2.789 1.00 1.78 C ATOM 805 O GLY A 62 -21.061 -13.188 2.149 1.00 2.07 O ATOM 0 H GLY A 62 -18.381 -11.327 5.017 1.00 1.48 H new ATOM 0 HA2 GLY A 62 -18.558 -12.911 3.471 1.00 1.52 H new ATOM 0 HA3 GLY A 62 -19.888 -13.614 4.370 1.00 1.52 H new ATOM 809 N VAL A 63 -20.741 -11.003 2.567 1.00 1.77 N ATOM 810 CA VAL A 63 -21.872 -10.490 1.766 1.00 1.98 C ATOM 811 C VAL A 63 -21.442 -9.621 0.571 1.00 1.89 C ATOM 812 O VAL A 63 -21.497 -10.082 -0.574 1.00 1.87 O ATOM 813 CB VAL A 63 -22.918 -9.842 2.705 1.00 2.17 C ATOM 814 CG1 VAL A 63 -22.373 -8.769 3.665 1.00 2.21 C ATOM 815 CG2 VAL A 63 -24.089 -9.257 1.917 1.00 2.43 C ATOM 0 H VAL A 63 -20.150 -10.262 2.944 1.00 1.77 H new ATOM 0 HA VAL A 63 -22.360 -11.331 1.274 1.00 1.98 H new ATOM 0 HB VAL A 63 -23.248 -10.671 3.331 1.00 2.17 H new ATOM 0 HG11 VAL A 63 -23.187 -8.381 4.277 1.00 2.21 H new ATOM 0 HG12 VAL A 63 -21.613 -9.210 4.310 1.00 2.21 H new ATOM 0 HG13 VAL A 63 -21.932 -7.955 3.089 1.00 2.21 H new ATOM 0 HG21 VAL A 63 -24.805 -8.810 2.607 1.00 2.43 H new ATOM 0 HG22 VAL A 63 -23.721 -8.494 1.231 1.00 2.43 H new ATOM 0 HG23 VAL A 63 -24.578 -10.049 1.350 1.00 2.43 H new ATOM 825 N LYS A 64 -20.995 -8.388 0.830 1.00 2.16 N ATOM 826 CA LYS A 64 -20.536 -7.378 -0.146 1.00 2.09 C ATOM 827 C LYS A 64 -19.294 -7.814 -0.945 1.00 1.98 C ATOM 828 O LYS A 64 -18.614 -8.755 -0.527 1.00 1.92 O ATOM 829 CB LYS A 64 -20.237 -6.073 0.625 1.00 1.98 C ATOM 830 CG LYS A 64 -19.273 -6.273 1.814 1.00 1.90 C ATOM 831 CD LYS A 64 -18.401 -5.047 2.110 1.00 1.83 C ATOM 832 CE LYS A 64 -19.144 -3.705 2.154 1.00 1.89 C ATOM 833 NZ LYS A 64 -19.923 -3.526 3.398 1.00 2.64 N ATOM 0 H LYS A 64 -20.938 -8.040 1.787 1.00 2.16 H new ATOM 0 HA LYS A 64 -21.328 -7.238 -0.882 1.00 2.09 H new ATOM 0 HB2 LYS A 64 -19.809 -5.343 -0.062 1.00 1.98 H new ATOM 0 HB3 LYS A 64 -21.174 -5.654 0.992 1.00 1.98 H new ATOM 0 HG2 LYS A 64 -19.853 -6.519 2.704 1.00 1.90 H new ATOM 0 HG3 LYS A 64 -18.627 -7.127 1.608 1.00 1.90 H new ATOM 0 HD2 LYS A 64 -17.904 -5.199 3.068 1.00 1.83 H new ATOM 0 HD3 LYS A 64 -17.620 -4.986 1.352 1.00 1.83 H new ATOM 0 HE2 LYS A 64 -18.424 -2.892 2.061 1.00 1.89 H new ATOM 0 HE3 LYS A 64 -19.814 -3.637 1.297 1.00 1.89 H new ATOM 0 HZ1 LYS A 64 -20.405 -2.605 3.376 1.00 2.64 H new ATOM 0 HZ2 LYS A 64 -20.630 -4.285 3.477 1.00 2.64 H new ATOM 0 HZ3 LYS A 64 -19.283 -3.563 4.217 1.00 2.64 H new ATOM 847 N PRO A 65 -18.920 -7.126 -2.042 1.00 1.97 N ATOM 848 CA PRO A 65 -17.564 -7.233 -2.573 1.00 1.84 C ATOM 849 C PRO A 65 -16.548 -6.736 -1.535 1.00 1.55 C ATOM 850 O PRO A 65 -16.679 -5.641 -0.983 1.00 1.56 O ATOM 851 CB PRO A 65 -17.549 -6.392 -3.851 1.00 1.92 C ATOM 852 CG PRO A 65 -18.609 -5.333 -3.569 1.00 1.96 C ATOM 853 CD PRO A 65 -19.663 -6.108 -2.779 1.00 2.10 C ATOM 0 HA PRO A 65 -17.284 -8.263 -2.795 1.00 1.84 H new ATOM 0 HB2 PRO A 65 -16.570 -5.947 -4.031 1.00 1.92 H new ATOM 0 HB3 PRO A 65 -17.795 -6.987 -4.730 1.00 1.92 H new ATOM 0 HG2 PRO A 65 -18.205 -4.500 -2.994 1.00 1.96 H new ATOM 0 HG3 PRO A 65 -19.019 -4.916 -4.489 1.00 1.96 H new ATOM 0 HD2 PRO A 65 -20.208 -5.451 -2.101 1.00 2.10 H new ATOM 0 HD3 PRO A 65 -20.398 -6.562 -3.444 1.00 2.10 H new ATOM 861 N PHE A 66 -15.554 -7.570 -1.238 1.00 1.35 N ATOM 862 CA PHE A 66 -14.578 -7.328 -0.173 1.00 1.10 C ATOM 863 C PHE A 66 -13.515 -6.306 -0.582 1.00 1.01 C ATOM 864 O PHE A 66 -13.196 -5.402 0.187 1.00 0.89 O ATOM 865 CB PHE A 66 -13.941 -8.662 0.223 1.00 1.06 C ATOM 866 CG PHE A 66 -14.907 -9.792 0.553 1.00 1.14 C ATOM 867 CD1 PHE A 66 -16.108 -9.549 1.246 1.00 2.32 C ATOM 868 CD2 PHE A 66 -14.617 -11.098 0.118 1.00 1.74 C ATOM 869 CE1 PHE A 66 -17.012 -10.597 1.494 1.00 2.39 C ATOM 870 CE2 PHE A 66 -15.514 -12.153 0.379 1.00 1.76 C ATOM 871 CZ PHE A 66 -16.713 -11.903 1.072 1.00 1.32 C ATOM 0 H PHE A 66 -15.400 -8.446 -1.737 1.00 1.35 H new ATOM 0 HA PHE A 66 -15.096 -6.898 0.684 1.00 1.10 H new ATOM 0 HB2 PHE A 66 -13.295 -8.989 -0.592 1.00 1.06 H new ATOM 0 HB3 PHE A 66 -13.301 -8.493 1.089 1.00 1.06 H new ATOM 0 HD1 PHE A 66 -16.337 -8.551 1.589 1.00 2.32 H new ATOM 0 HD2 PHE A 66 -13.701 -11.293 -0.420 1.00 1.74 H new ATOM 0 HE1 PHE A 66 -17.939 -10.397 2.011 1.00 2.39 H new ATOM 0 HE2 PHE A 66 -15.281 -13.154 0.047 1.00 1.76 H new ATOM 0 HZ PHE A 66 -17.400 -12.711 1.278 1.00 1.32 H new ATOM 881 N MET A 67 -13.018 -6.423 -1.813 1.00 1.15 N ATOM 882 CA MET A 67 -12.286 -5.355 -2.500 1.00 1.23 C ATOM 883 C MET A 67 -13.172 -4.099 -2.698 1.00 1.28 C ATOM 884 O MET A 67 -14.182 -4.180 -3.408 1.00 1.51 O ATOM 885 CB MET A 67 -11.750 -5.861 -3.851 1.00 1.46 C ATOM 886 CG MET A 67 -10.405 -6.576 -3.698 1.00 1.42 C ATOM 887 SD MET A 67 -9.071 -5.488 -3.115 1.00 1.39 S ATOM 888 CE MET A 67 -7.703 -6.670 -3.065 1.00 1.44 C ATOM 0 H MET A 67 -13.113 -7.272 -2.370 1.00 1.15 H new ATOM 0 HA MET A 67 -11.442 -5.067 -1.873 1.00 1.23 H new ATOM 0 HB2 MET A 67 -12.475 -6.542 -4.297 1.00 1.46 H new ATOM 0 HB3 MET A 67 -11.639 -5.020 -4.536 1.00 1.46 H new ATOM 0 HG2 MET A 67 -10.520 -7.404 -2.999 1.00 1.42 H new ATOM 0 HG3 MET A 67 -10.119 -7.006 -4.658 1.00 1.42 H new ATOM 0 HE1 MET A 67 -6.910 -6.281 -2.426 1.00 1.44 H new ATOM 0 HE2 MET A 67 -8.058 -7.620 -2.666 1.00 1.44 H new ATOM 0 HE3 MET A 67 -7.316 -6.822 -4.073 1.00 1.44 H new ATOM 898 N PRO A 68 -12.818 -2.939 -2.106 1.00 1.09 N ATOM 899 CA PRO A 68 -13.647 -1.730 -2.105 1.00 1.05 C ATOM 900 C PRO A 68 -13.671 -0.992 -3.457 1.00 1.15 C ATOM 901 O PRO A 68 -12.697 -1.007 -4.214 1.00 1.22 O ATOM 902 CB PRO A 68 -13.068 -0.850 -0.989 1.00 0.88 C ATOM 903 CG PRO A 68 -11.596 -1.253 -0.944 1.00 0.83 C ATOM 904 CD PRO A 68 -11.643 -2.740 -1.267 1.00 0.92 C ATOM 0 HA PRO A 68 -14.693 -1.987 -1.935 1.00 1.05 H new ATOM 0 HB2 PRO A 68 -13.187 0.210 -1.212 1.00 0.88 H new ATOM 0 HB3 PRO A 68 -13.564 -1.033 -0.036 1.00 0.88 H new ATOM 0 HG2 PRO A 68 -11.003 -0.700 -1.672 1.00 0.83 H new ATOM 0 HG3 PRO A 68 -11.155 -1.066 0.035 1.00 0.83 H new ATOM 0 HD2 PRO A 68 -10.737 -3.054 -1.786 1.00 0.92 H new ATOM 0 HD3 PRO A 68 -11.711 -3.334 -0.356 1.00 0.92 H new ATOM 912 N THR A 69 -14.770 -0.282 -3.735 1.00 1.23 N ATOM 913 CA THR A 69 -14.954 0.560 -4.926 1.00 1.32 C ATOM 914 C THR A 69 -14.150 1.855 -4.850 1.00 1.06 C ATOM 915 O THR A 69 -13.618 2.210 -3.803 1.00 0.89 O ATOM 916 CB THR A 69 -16.445 0.876 -5.164 1.00 1.64 C ATOM 917 OG1 THR A 69 -16.920 1.704 -4.127 1.00 1.70 O ATOM 918 CG2 THR A 69 -17.324 -0.375 -5.220 1.00 2.08 C ATOM 0 H THR A 69 -15.583 -0.276 -3.119 1.00 1.23 H new ATOM 0 HA THR A 69 -14.577 -0.016 -5.771 1.00 1.32 H new ATOM 0 HB THR A 69 -16.508 1.370 -6.133 1.00 1.64 H new ATOM 0 HG1 THR A 69 -17.867 1.907 -4.278 1.00 1.70 H new ATOM 0 HG21 THR A 69 -18.361 -0.084 -5.390 1.00 2.08 H new ATOM 0 HG22 THR A 69 -16.990 -1.018 -6.034 1.00 2.08 H new ATOM 0 HG23 THR A 69 -17.249 -0.915 -4.276 1.00 2.08 H new ATOM 926 N ALA A 70 -14.060 2.597 -5.952 1.00 1.15 N ATOM 927 CA ALA A 70 -13.292 3.849 -6.000 1.00 1.13 C ATOM 928 C ALA A 70 -13.809 4.915 -5.001 1.00 1.11 C ATOM 929 O ALA A 70 -13.000 5.611 -4.379 1.00 1.08 O ATOM 930 CB ALA A 70 -13.269 4.365 -7.444 1.00 1.25 C ATOM 0 H ALA A 70 -14.512 2.354 -6.833 1.00 1.15 H new ATOM 0 HA ALA A 70 -12.271 3.640 -5.679 1.00 1.13 H new ATOM 0 HB1 ALA A 70 -12.701 5.294 -7.489 1.00 1.25 H new ATOM 0 HB2 ALA A 70 -12.800 3.621 -8.089 1.00 1.25 H new ATOM 0 HB3 ALA A 70 -14.289 4.547 -7.782 1.00 1.25 H new ATOM 936 N ALA A 71 -15.131 4.990 -4.793 1.00 1.16 N ATOM 937 CA ALA A 71 -15.781 5.859 -3.804 1.00 1.19 C ATOM 938 C ALA A 71 -15.530 5.429 -2.342 1.00 1.09 C ATOM 939 O ALA A 71 -15.377 6.282 -1.460 1.00 1.09 O ATOM 940 CB ALA A 71 -17.286 5.861 -4.105 1.00 1.32 C ATOM 0 H ALA A 71 -15.797 4.430 -5.325 1.00 1.16 H new ATOM 0 HA ALA A 71 -15.350 6.856 -3.892 1.00 1.19 H new ATOM 0 HB1 ALA A 71 -17.800 6.499 -3.386 1.00 1.32 H new ATOM 0 HB2 ALA A 71 -17.455 6.240 -5.113 1.00 1.32 H new ATOM 0 HB3 ALA A 71 -17.673 4.845 -4.030 1.00 1.32 H new ATOM 946 N GLU A 72 -15.453 4.118 -2.089 1.00 1.05 N ATOM 947 CA GLU A 72 -15.119 3.527 -0.797 1.00 0.98 C ATOM 948 C GLU A 72 -13.642 3.799 -0.511 1.00 0.84 C ATOM 949 O GLU A 72 -13.320 4.413 0.503 1.00 0.83 O ATOM 950 CB GLU A 72 -15.414 2.017 -0.820 1.00 0.99 C ATOM 951 CG GLU A 72 -16.901 1.657 -0.921 1.00 1.23 C ATOM 952 CD GLU A 72 -17.572 1.637 0.449 1.00 2.81 C ATOM 953 OE1 GLU A 72 -17.900 2.723 0.986 1.00 4.00 O ATOM 954 OE2 GLU A 72 -17.761 0.534 1.011 1.00 3.61 O ATOM 0 H GLU A 72 -15.629 3.417 -2.808 1.00 1.05 H new ATOM 0 HA GLU A 72 -15.724 3.969 -0.006 1.00 0.98 H new ATOM 0 HB2 GLU A 72 -14.888 1.570 -1.664 1.00 0.99 H new ATOM 0 HB3 GLU A 72 -15.006 1.567 0.085 1.00 0.99 H new ATOM 0 HG2 GLU A 72 -17.407 2.378 -1.563 1.00 1.23 H new ATOM 0 HG3 GLU A 72 -17.008 0.680 -1.393 1.00 1.23 H new ATOM 961 N ARG A 73 -12.746 3.441 -1.445 1.00 0.79 N ATOM 962 CA ARG A 73 -11.311 3.763 -1.371 1.00 0.73 C ATOM 963 C ARG A 73 -11.067 5.238 -1.066 1.00 0.77 C ATOM 964 O ARG A 73 -10.233 5.548 -0.220 1.00 0.73 O ATOM 965 CB ARG A 73 -10.607 3.411 -2.690 1.00 0.79 C ATOM 966 CG ARG A 73 -10.411 1.906 -2.886 1.00 1.44 C ATOM 967 CD ARG A 73 -9.730 1.627 -4.234 1.00 1.65 C ATOM 968 NE ARG A 73 -8.586 0.723 -4.066 1.00 2.43 N ATOM 969 CZ ARG A 73 -7.320 1.040 -3.881 1.00 2.72 C ATOM 970 NH1 ARG A 73 -6.834 2.248 -3.927 1.00 3.00 N ATOM 971 NH2 ARG A 73 -6.480 0.092 -3.624 1.00 4.05 N ATOM 0 H ARG A 73 -13.000 2.915 -2.281 1.00 0.79 H new ATOM 0 HA ARG A 73 -10.901 3.167 -0.556 1.00 0.73 H new ATOM 0 HB2 ARG A 73 -11.190 3.806 -3.522 1.00 0.79 H new ATOM 0 HB3 ARG A 73 -9.635 3.904 -2.719 1.00 0.79 H new ATOM 0 HG2 ARG A 73 -9.805 1.503 -2.075 1.00 1.44 H new ATOM 0 HG3 ARG A 73 -11.375 1.399 -2.846 1.00 1.44 H new ATOM 0 HD2 ARG A 73 -10.449 1.186 -4.925 1.00 1.65 H new ATOM 0 HD3 ARG A 73 -9.396 2.565 -4.678 1.00 1.65 H new ATOM 0 HE ARG A 73 -8.797 -0.275 -4.096 1.00 2.43 H new ATOM 0 HH11 ARG A 73 -7.450 3.038 -4.119 1.00 3.00 H new ATOM 0 HH12 ARG A 73 -5.838 2.403 -3.771 1.00 3.00 H new ATOM 0 HH21 ARG A 73 -6.803 -0.874 -3.569 1.00 4.05 H new ATOM 0 HH22 ARG A 73 -5.494 0.310 -3.477 1.00 4.05 H new ATOM 985 N ASP A 74 -11.811 6.127 -1.720 1.00 0.86 N ATOM 986 CA ASP A 74 -11.746 7.563 -1.471 1.00 0.95 C ATOM 987 C ASP A 74 -12.160 7.946 -0.044 1.00 0.96 C ATOM 988 O ASP A 74 -11.381 8.592 0.656 1.00 0.99 O ATOM 989 CB ASP A 74 -12.616 8.293 -2.495 1.00 1.07 C ATOM 990 CG ASP A 74 -12.512 9.806 -2.314 1.00 1.23 C ATOM 991 OD1 ASP A 74 -11.380 10.346 -2.256 1.00 2.01 O ATOM 992 OD2 ASP A 74 -13.562 10.490 -2.286 1.00 1.89 O ATOM 0 H ASP A 74 -12.481 5.868 -2.444 1.00 0.86 H new ATOM 0 HA ASP A 74 -10.704 7.866 -1.577 1.00 0.95 H new ATOM 0 HB2 ASP A 74 -12.305 8.021 -3.503 1.00 1.07 H new ATOM 0 HB3 ASP A 74 -13.654 7.980 -2.386 1.00 1.07 H new ATOM 997 N GLU A 75 -13.350 7.546 0.422 1.00 1.00 N ATOM 998 CA GLU A 75 -13.786 7.916 1.777 1.00 1.09 C ATOM 999 C GLU A 75 -12.906 7.301 2.882 1.00 1.04 C ATOM 1000 O GLU A 75 -12.668 7.941 3.910 1.00 1.22 O ATOM 1001 CB GLU A 75 -15.284 7.641 1.972 1.00 1.20 C ATOM 1002 CG GLU A 75 -15.711 6.168 2.051 1.00 1.17 C ATOM 1003 CD GLU A 75 -17.229 6.047 2.230 1.00 1.38 C ATOM 1004 OE1 GLU A 75 -17.980 6.552 1.359 1.00 2.39 O ATOM 1005 OE2 GLU A 75 -17.695 5.467 3.242 1.00 1.85 O ATOM 0 H GLU A 75 -14.015 6.979 -0.104 1.00 1.00 H new ATOM 0 HA GLU A 75 -13.646 8.992 1.877 1.00 1.09 H new ATOM 0 HB2 GLU A 75 -15.605 8.138 2.888 1.00 1.20 H new ATOM 0 HB3 GLU A 75 -15.826 8.108 1.150 1.00 1.20 H new ATOM 0 HG2 GLU A 75 -15.405 5.647 1.143 1.00 1.17 H new ATOM 0 HG3 GLU A 75 -15.203 5.682 2.884 1.00 1.17 H new ATOM 1012 N ILE A 76 -12.351 6.111 2.635 1.00 0.87 N ATOM 1013 CA ILE A 76 -11.437 5.389 3.528 1.00 0.80 C ATOM 1014 C ILE A 76 -10.068 6.087 3.602 1.00 0.79 C ATOM 1015 O ILE A 76 -9.576 6.370 4.697 1.00 0.88 O ATOM 1016 CB ILE A 76 -11.349 3.918 3.055 1.00 0.69 C ATOM 1017 CG1 ILE A 76 -12.695 3.192 3.317 1.00 0.82 C ATOM 1018 CG2 ILE A 76 -10.187 3.182 3.739 1.00 0.62 C ATOM 1019 CD1 ILE A 76 -12.935 1.952 2.442 1.00 0.80 C ATOM 0 H ILE A 76 -12.534 5.602 1.770 1.00 0.87 H new ATOM 0 HA ILE A 76 -11.819 5.395 4.549 1.00 0.80 H new ATOM 0 HB ILE A 76 -11.153 3.914 1.983 1.00 0.69 H new ATOM 0 HG12 ILE A 76 -12.734 2.894 4.365 1.00 0.82 H new ATOM 0 HG13 ILE A 76 -13.510 3.897 3.156 1.00 0.82 H new ATOM 0 HG21 ILE A 76 -10.151 2.151 3.386 1.00 0.62 H new ATOM 0 HG22 ILE A 76 -9.248 3.681 3.498 1.00 0.62 H new ATOM 0 HG23 ILE A 76 -10.336 3.191 4.819 1.00 0.62 H new ATOM 0 HD11 ILE A 76 -13.899 1.510 2.694 1.00 0.80 H new ATOM 0 HD12 ILE A 76 -12.933 2.242 1.391 1.00 0.80 H new ATOM 0 HD13 ILE A 76 -12.144 1.223 2.619 1.00 0.80 H new ATOM 1031 N LEU A 77 -9.462 6.437 2.462 1.00 0.75 N ATOM 1032 CA LEU A 77 -8.209 7.206 2.426 1.00 0.85 C ATOM 1033 C LEU A 77 -8.377 8.597 3.049 1.00 1.06 C ATOM 1034 O LEU A 77 -7.487 9.062 3.762 1.00 1.15 O ATOM 1035 CB LEU A 77 -7.727 7.341 0.979 1.00 0.89 C ATOM 1036 CG LEU A 77 -7.025 6.089 0.430 1.00 0.82 C ATOM 1037 CD1 LEU A 77 -6.834 6.293 -1.068 1.00 0.95 C ATOM 1038 CD2 LEU A 77 -5.644 5.852 1.058 1.00 0.90 C ATOM 0 H LEU A 77 -9.824 6.197 1.539 1.00 0.75 H new ATOM 0 HA LEU A 77 -7.468 6.665 3.015 1.00 0.85 H new ATOM 0 HB2 LEU A 77 -8.581 7.573 0.343 1.00 0.89 H new ATOM 0 HB3 LEU A 77 -7.042 8.186 0.913 1.00 0.89 H new ATOM 0 HG LEU A 77 -7.644 5.223 0.666 1.00 0.82 H new ATOM 0 HD11 LEU A 77 -6.337 5.421 -1.493 1.00 0.95 H new ATOM 0 HD12 LEU A 77 -7.806 6.425 -1.544 1.00 0.95 H new ATOM 0 HD13 LEU A 77 -6.223 7.179 -1.240 1.00 0.95 H new ATOM 0 HD21 LEU A 77 -5.199 4.954 0.630 1.00 0.90 H new ATOM 0 HD22 LEU A 77 -5.000 6.708 0.855 1.00 0.90 H new ATOM 0 HD23 LEU A 77 -5.751 5.726 2.135 1.00 0.90 H new ATOM 1050 N ARG A 78 -9.536 9.231 2.847 1.00 1.17 N ATOM 1051 CA ARG A 78 -9.899 10.496 3.511 1.00 1.42 C ATOM 1052 C ARG A 78 -10.046 10.318 5.025 1.00 1.52 C ATOM 1053 O ARG A 78 -9.627 11.195 5.777 1.00 1.74 O ATOM 1054 CB ARG A 78 -11.172 11.102 2.895 1.00 1.48 C ATOM 1055 CG ARG A 78 -10.936 11.704 1.499 1.00 1.51 C ATOM 1056 CD ARG A 78 -12.274 12.115 0.872 1.00 1.55 C ATOM 1057 NE ARG A 78 -12.132 12.569 -0.523 1.00 2.66 N ATOM 1058 CZ ARG A 78 -12.101 13.810 -0.976 1.00 3.48 C ATOM 1059 NH1 ARG A 78 -12.146 14.868 -0.224 1.00 3.86 N ATOM 1060 NH2 ARG A 78 -12.027 14.045 -2.247 1.00 4.68 N ATOM 0 H ARG A 78 -10.256 8.882 2.215 1.00 1.17 H new ATOM 0 HA ARG A 78 -9.081 11.197 3.345 1.00 1.42 H new ATOM 0 HB2 ARG A 78 -11.939 10.330 2.827 1.00 1.48 H new ATOM 0 HB3 ARG A 78 -11.557 11.877 3.558 1.00 1.48 H new ATOM 0 HG2 ARG A 78 -10.279 12.570 1.574 1.00 1.51 H new ATOM 0 HG3 ARG A 78 -10.434 10.977 0.861 1.00 1.51 H new ATOM 0 HD2 ARG A 78 -12.962 11.270 0.907 1.00 1.55 H new ATOM 0 HD3 ARG A 78 -12.719 12.913 1.466 1.00 1.55 H new ATOM 0 HE ARG A 78 -12.047 11.834 -1.226 1.00 2.66 H new ATOM 0 HH11 ARG A 78 -12.210 14.771 0.789 1.00 3.86 H new ATOM 0 HH12 ARG A 78 -12.118 15.796 -0.647 1.00 3.86 H new ATOM 0 HH21 ARG A 78 -11.992 13.269 -2.908 1.00 4.68 H new ATOM 0 HH22 ARG A 78 -12.004 15.006 -2.587 1.00 4.68 H new ATOM 1074 N ALA A 79 -10.559 9.172 5.479 1.00 1.40 N ATOM 1075 CA ALA A 79 -10.650 8.817 6.898 1.00 1.51 C ATOM 1076 C ALA A 79 -9.290 8.455 7.539 1.00 1.44 C ATOM 1077 O ALA A 79 -9.116 8.664 8.745 1.00 1.59 O ATOM 1078 CB ALA A 79 -11.685 7.699 7.060 1.00 1.49 C ATOM 0 H ALA A 79 -10.930 8.451 4.860 1.00 1.40 H new ATOM 0 HA ALA A 79 -10.976 9.701 7.447 1.00 1.51 H new ATOM 0 HB1 ALA A 79 -11.763 7.425 8.112 1.00 1.49 H new ATOM 0 HB2 ALA A 79 -12.655 8.046 6.703 1.00 1.49 H new ATOM 0 HB3 ALA A 79 -11.375 6.829 6.480 1.00 1.49 H new ATOM 1084 N VAL A 80 -8.298 7.990 6.766 1.00 1.27 N ATOM 1085 CA VAL A 80 -6.889 7.986 7.199 1.00 1.31 C ATOM 1086 C VAL A 80 -6.377 9.431 7.269 1.00 1.47 C ATOM 1087 O VAL A 80 -5.785 9.840 8.269 1.00 1.53 O ATOM 1088 CB VAL A 80 -6.005 7.126 6.268 1.00 1.17 C ATOM 1089 CG1 VAL A 80 -4.551 7.107 6.745 1.00 1.26 C ATOM 1090 CG2 VAL A 80 -6.464 5.666 6.209 1.00 1.03 C ATOM 0 H VAL A 80 -8.445 7.609 5.831 1.00 1.27 H new ATOM 0 HA VAL A 80 -6.831 7.535 8.189 1.00 1.31 H new ATOM 0 HB VAL A 80 -6.093 7.586 5.284 1.00 1.17 H new ATOM 0 HG11 VAL A 80 -3.954 6.494 6.070 1.00 1.26 H new ATOM 0 HG12 VAL A 80 -4.158 8.124 6.755 1.00 1.26 H new ATOM 0 HG13 VAL A 80 -4.504 6.690 7.751 1.00 1.26 H new ATOM 0 HG21 VAL A 80 -5.810 5.106 5.541 1.00 1.03 H new ATOM 0 HG22 VAL A 80 -6.422 5.231 7.208 1.00 1.03 H new ATOM 0 HG23 VAL A 80 -7.487 5.621 5.836 1.00 1.03 H new ATOM 1100 N GLY A 81 -6.632 10.227 6.225 1.00 1.55 N ATOM 1101 CA GLY A 81 -6.164 11.608 6.074 1.00 1.76 C ATOM 1102 C GLY A 81 -4.712 11.714 5.590 1.00 1.81 C ATOM 1103 O GLY A 81 -4.128 12.799 5.562 1.00 1.99 O ATOM 0 H GLY A 81 -7.192 9.914 5.432 1.00 1.55 H new ATOM 0 HA2 GLY A 81 -6.812 12.128 5.369 1.00 1.76 H new ATOM 0 HA3 GLY A 81 -6.258 12.121 7.031 1.00 1.76 H new ATOM 1107 N ASN A 82 -4.113 10.572 5.242 1.00 1.68 N ATOM 1108 CA ASN A 82 -2.720 10.428 4.824 1.00 1.71 C ATOM 1109 C ASN A 82 -2.532 9.150 3.977 1.00 1.60 C ATOM 1110 O ASN A 82 -3.473 8.385 3.761 1.00 1.54 O ATOM 1111 CB ASN A 82 -1.837 10.419 6.096 1.00 1.75 C ATOM 1112 CG ASN A 82 -0.355 10.627 5.833 1.00 1.85 C ATOM 1113 OD1 ASN A 82 0.054 11.149 4.801 1.00 2.39 O ATOM 1114 ND2 ASN A 82 0.493 10.216 6.740 1.00 1.92 N ATOM 0 H ASN A 82 -4.611 9.682 5.245 1.00 1.68 H new ATOM 0 HA ASN A 82 -2.423 11.263 4.189 1.00 1.71 H new ATOM 0 HB2 ASN A 82 -2.187 11.200 6.772 1.00 1.75 H new ATOM 0 HB3 ASN A 82 -1.972 9.468 6.611 1.00 1.75 H new ATOM 0 HD21 ASN A 82 1.495 10.329 6.590 1.00 1.92 H new ATOM 0 HD22 ASN A 82 0.152 9.782 7.598 1.00 1.92 H new ATOM 1121 N MET A 83 -1.308 8.903 3.515 1.00 1.62 N ATOM 1122 CA MET A 83 -0.906 7.713 2.782 1.00 1.57 C ATOM 1123 C MET A 83 -0.754 6.513 3.740 1.00 1.56 C ATOM 1124 O MET A 83 0.027 6.611 4.696 1.00 1.69 O ATOM 1125 CB MET A 83 0.424 8.053 2.091 1.00 1.69 C ATOM 1126 CG MET A 83 0.805 7.102 0.957 1.00 1.68 C ATOM 1127 SD MET A 83 0.304 7.652 -0.697 1.00 1.73 S ATOM 1128 CE MET A 83 -1.468 7.280 -0.711 1.00 1.58 C ATOM 0 H MET A 83 -0.538 9.558 3.649 1.00 1.62 H new ATOM 0 HA MET A 83 -1.656 7.427 2.045 1.00 1.57 H new ATOM 0 HB2 MET A 83 0.365 9.067 1.695 1.00 1.69 H new ATOM 0 HB3 MET A 83 1.219 8.048 2.837 1.00 1.69 H new ATOM 0 HG2 MET A 83 1.886 6.963 0.966 1.00 1.68 H new ATOM 0 HG3 MET A 83 0.356 6.128 1.152 1.00 1.68 H new ATOM 0 HE1 MET A 83 -1.843 7.333 -1.733 1.00 1.58 H new ATOM 0 HE2 MET A 83 -1.632 6.278 -0.316 1.00 1.58 H new ATOM 0 HE3 MET A 83 -1.997 8.005 -0.092 1.00 1.58 H new ATOM 1138 N PRO A 84 -1.418 5.363 3.501 1.00 1.47 N ATOM 1139 CA PRO A 84 -1.274 4.176 4.345 1.00 1.52 C ATOM 1140 C PRO A 84 0.009 3.381 4.060 1.00 1.70 C ATOM 1141 O PRO A 84 0.235 2.342 4.682 1.00 1.85 O ATOM 1142 CB PRO A 84 -2.542 3.357 4.099 1.00 1.34 C ATOM 1143 CG PRO A 84 -2.943 3.689 2.662 1.00 1.30 C ATOM 1144 CD PRO A 84 -2.400 5.112 2.451 1.00 1.36 C ATOM 0 HA PRO A 84 -1.169 4.451 5.394 1.00 1.52 H new ATOM 0 HB2 PRO A 84 -2.355 2.290 4.222 1.00 1.34 H new ATOM 0 HB3 PRO A 84 -3.330 3.626 4.803 1.00 1.34 H new ATOM 0 HG2 PRO A 84 -2.508 2.985 1.952 1.00 1.30 H new ATOM 0 HG3 PRO A 84 -4.024 3.649 2.529 1.00 1.30 H new ATOM 0 HD2 PRO A 84 -1.942 5.206 1.466 1.00 1.36 H new ATOM 0 HD3 PRO A 84 -3.208 5.842 2.498 1.00 1.36 H new ATOM 1152 N TYR A 85 0.822 3.866 3.116 1.00 1.73 N ATOM 1153 CA TYR A 85 2.061 3.237 2.648 1.00 1.95 C ATOM 1154 C TYR A 85 3.231 3.565 3.592 1.00 2.05 C ATOM 1155 O TYR A 85 3.588 2.714 4.433 1.00 3.04 O ATOM 1156 CB TYR A 85 2.356 3.669 1.195 1.00 1.93 C ATOM 1157 CG TYR A 85 1.248 3.706 0.144 1.00 1.80 C ATOM 1158 CD1 TYR A 85 0.000 3.064 0.304 1.00 1.99 C ATOM 1159 CD2 TYR A 85 1.489 4.459 -1.022 1.00 2.72 C ATOM 1160 CE1 TYR A 85 -1.006 3.209 -0.678 1.00 2.06 C ATOM 1161 CE2 TYR A 85 0.499 4.588 -2.014 1.00 2.71 C ATOM 1162 CZ TYR A 85 -0.750 3.961 -1.847 1.00 1.85 C ATOM 1163 OH TYR A 85 -1.689 4.078 -2.825 1.00 2.01 O ATOM 0 H TYR A 85 0.626 4.745 2.637 1.00 1.73 H new ATOM 0 HA TYR A 85 1.936 2.154 2.658 1.00 1.95 H new ATOM 0 HB2 TYR A 85 2.786 4.670 1.241 1.00 1.93 H new ATOM 0 HB3 TYR A 85 3.133 3.005 0.816 1.00 1.93 H new ATOM 0 HD1 TYR A 85 -0.186 2.460 1.180 1.00 1.99 H new ATOM 0 HD2 TYR A 85 2.445 4.943 -1.156 1.00 2.72 H new ATOM 0 HE1 TYR A 85 -1.971 2.745 -0.535 1.00 2.06 H new ATOM 0 HE2 TYR A 85 0.698 5.168 -2.903 1.00 2.71 H new ATOM 0 HH TYR A 85 -1.337 4.633 -3.552 1.00 2.01 H new TER 1173 TYR A 85