USER MOD reduce.3.24.130724 H: found=0, std=0, add=722, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 614 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 5 TYR OH : rot 75:sc= 0.314 USER MOD Set 1.2: A 34 CYS SG : rot 101:sc= 0.227 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 69:sc= 0.0881 USER MOD Single : A 28 THR OG1 : rot 151:sc= 0.497 USER MOD Single : A 31 CYS SG : rot 180:sc= 0.0659 USER MOD Single : A 33 HIS : no HD1:sc= -0.0101 X(o=-0.01,f=-0.0045) USER MOD Single : A 35 GLN : amide:sc= 0.618 K(o=0.62,f=-0.064) USER MOD Single : A 38 GLN : amide:sc= 0.846 K(o=0.85,f=-0.025) USER MOD Single : A 46 SER OG : rot 84:sc= 0.828 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HE2:sc= -0.117 K(o=-0.12,f=-1.3) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.749 X(o=-0.75,f=-0.38) USER MOD Single : A 71 LYS NZ :NH3+ 151:sc= 1.2 (180deg=0.63) USER MOD Single : A 75 THR OG1 : rot -160:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 69 N TYR A 5 9.131 -2.424 6.842 1.00 0.00 N ATOM 70 CA TYR A 5 8.448 -3.477 6.080 1.00 0.00 C ATOM 71 C TYR A 5 8.457 -4.862 6.744 1.00 0.00 C ATOM 72 O TYR A 5 9.365 -5.194 7.510 1.00 0.00 O ATOM 73 CB TYR A 5 9.067 -3.582 4.684 1.00 0.00 C ATOM 74 CG TYR A 5 8.474 -2.645 3.664 1.00 0.00 C ATOM 75 CD1 TYR A 5 8.785 -1.273 3.687 1.00 0.00 C ATOM 76 CD2 TYR A 5 7.595 -3.162 2.694 1.00 0.00 C ATOM 77 CE1 TYR A 5 8.259 -0.422 2.700 1.00 0.00 C ATOM 78 CE2 TYR A 5 7.076 -2.313 1.698 1.00 0.00 C ATOM 79 CZ TYR A 5 7.443 -0.946 1.674 1.00 0.00 C ATOM 80 OH TYR A 5 7.032 -0.128 0.669 1.00 0.00 O ATOM 0 HA TYR A 5 7.402 -3.174 6.033 1.00 0.00 H new ATOM 0 HB2 TYR A 5 10.137 -3.387 4.759 1.00 0.00 H new ATOM 0 HB3 TYR A 5 8.954 -4.606 4.327 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.426 -0.875 4.460 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.320 -4.206 2.714 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.479 0.635 2.726 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.399 -2.704 0.953 1.00 0.00 H new ATOM 0 HH TYR A 5 7.778 0.036 0.055 1.00 0.00 H new ATOM 89 N SER A 6 7.454 -5.680 6.418 1.00 0.00 N ATOM 90 CA SER A 6 7.230 -6.974 7.064 1.00 0.00 C ATOM 91 C SER A 6 7.219 -8.158 6.082 1.00 0.00 C ATOM 92 O SER A 6 6.511 -8.148 5.076 1.00 0.00 O ATOM 93 CB SER A 6 5.907 -6.926 7.838 1.00 0.00 C ATOM 94 OG SER A 6 5.941 -5.954 8.877 1.00 0.00 O ATOM 0 H SER A 6 6.770 -5.461 5.694 1.00 0.00 H new ATOM 0 HA SER A 6 8.070 -7.145 7.738 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.092 -6.697 7.152 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.699 -7.907 8.264 1.00 0.00 H new ATOM 0 HG SER A 6 5.082 -5.949 9.348 1.00 0.00 H new ATOM 99 N ALA A 7 8.000 -9.209 6.364 1.00 0.00 N ATOM 100 CA ALA A 7 8.122 -10.391 5.496 1.00 0.00 C ATOM 101 C ALA A 7 7.022 -11.448 5.730 1.00 0.00 C ATOM 102 O ALA A 7 6.606 -12.113 4.779 1.00 0.00 O ATOM 103 CB ALA A 7 9.522 -10.980 5.686 1.00 0.00 C ATOM 0 H ALA A 7 8.570 -9.265 7.208 1.00 0.00 H new ATOM 0 HA ALA A 7 7.980 -10.073 4.463 1.00 0.00 H new ATOM 0 HB1 ALA A 7 9.636 -11.859 5.052 1.00 0.00 H new ATOM 0 HB2 ALA A 7 10.270 -10.236 5.413 1.00 0.00 H new ATOM 0 HB3 ALA A 7 9.658 -11.265 6.729 1.00 0.00 H new ATOM 109 N GLU A 8 6.551 -11.602 6.970 1.00 0.00 N ATOM 110 CA GLU A 8 5.593 -12.630 7.420 1.00 0.00 C ATOM 111 C GLU A 8 4.124 -12.343 7.020 1.00 0.00 C ATOM 112 O GLU A 8 3.188 -12.594 7.779 1.00 0.00 O ATOM 113 CB GLU A 8 5.783 -12.880 8.928 1.00 0.00 C ATOM 114 CG GLU A 8 5.548 -11.654 9.829 1.00 0.00 C ATOM 115 CD GLU A 8 5.757 -12.011 11.312 1.00 0.00 C ATOM 116 OE1 GLU A 8 6.909 -11.945 11.798 1.00 0.00 O ATOM 117 OE2 GLU A 8 4.770 -12.357 12.008 1.00 0.00 O ATOM 0 H GLU A 8 6.838 -10.985 7.730 1.00 0.00 H new ATOM 0 HA GLU A 8 5.818 -13.553 6.886 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.103 -13.674 9.237 1.00 0.00 H new ATOM 0 HB3 GLU A 8 6.796 -13.245 9.095 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.230 -10.853 9.544 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.536 -11.278 9.681 1.00 0.00 H new ATOM 122 N ALA A 9 3.911 -11.775 5.831 1.00 0.00 N ATOM 123 CA ALA A 9 2.606 -11.306 5.357 1.00 0.00 C ATOM 124 C ALA A 9 1.578 -12.438 5.079 1.00 0.00 C ATOM 125 O ALA A 9 1.958 -13.572 4.748 1.00 0.00 O ATOM 126 CB ALA A 9 2.811 -10.445 4.107 1.00 0.00 C ATOM 0 H ALA A 9 4.659 -11.625 5.154 1.00 0.00 H new ATOM 0 HA ALA A 9 2.169 -10.720 6.166 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.845 -10.091 3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.442 -9.591 4.353 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.292 -11.040 3.331 1.00 0.00 H new ATOM 132 N PRO A 10 0.271 -12.111 5.159 1.00 0.00 N ATOM 133 CA PRO A 10 -0.838 -13.008 4.848 1.00 0.00 C ATOM 134 C PRO A 10 -1.021 -13.237 3.339 1.00 0.00 C ATOM 135 O PRO A 10 -0.511 -12.482 2.509 1.00 0.00 O ATOM 136 CB PRO A 10 -2.072 -12.324 5.447 1.00 0.00 C ATOM 137 CG PRO A 10 -1.729 -10.850 5.323 1.00 0.00 C ATOM 138 CD PRO A 10 -0.245 -10.826 5.625 1.00 0.00 C ATOM 0 HA PRO A 10 -0.659 -14.001 5.260 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -2.980 -12.576 4.900 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.234 -12.616 6.485 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.945 -10.467 4.326 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.295 -10.242 6.028 1.00 0.00 H new ATOM 0 HD2 PRO A 10 0.246 -9.998 5.114 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.064 -10.694 6.692 1.00 0.00 H new ATOM 143 N ALA A 11 -1.787 -14.281 3.001 1.00 0.00 N ATOM 144 CA ALA A 11 -2.162 -14.661 1.632 1.00 0.00 C ATOM 145 C ALA A 11 -3.451 -13.982 1.138 1.00 0.00 C ATOM 146 O ALA A 11 -4.266 -13.540 1.946 1.00 0.00 O ATOM 147 CB ALA A 11 -2.321 -16.184 1.624 1.00 0.00 C ATOM 0 H ALA A 11 -2.179 -14.910 3.702 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.384 -14.327 0.946 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.601 -16.515 0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.378 -16.650 1.910 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -3.098 -16.472 2.332 1.00 0.00 H new ATOM 153 N ARG A 12 -3.712 -13.960 -0.180 1.00 0.00 N ATOM 154 CA ARG A 12 -4.932 -13.346 -0.752 1.00 0.00 C ATOM 155 C ARG A 12 -6.230 -13.896 -0.140 1.00 0.00 C ATOM 156 O ARG A 12 -7.172 -13.140 0.085 1.00 0.00 O ATOM 157 CB ARG A 12 -4.979 -13.533 -2.280 1.00 0.00 C ATOM 158 CG ARG A 12 -3.940 -12.714 -3.062 1.00 0.00 C ATOM 159 CD ARG A 12 -3.976 -11.197 -2.815 1.00 0.00 C ATOM 160 NE ARG A 12 -5.328 -10.621 -2.954 1.00 0.00 N ATOM 161 CZ ARG A 12 -5.910 -10.171 -4.060 1.00 0.00 C ATOM 162 NH1 ARG A 12 -5.343 -10.223 -5.246 1.00 0.00 N ATOM 163 NH2 ARG A 12 -7.119 -9.656 -3.982 1.00 0.00 N ATOM 0 H ARG A 12 -3.089 -14.364 -0.880 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.871 -12.286 -0.506 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.834 -14.589 -2.507 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.974 -13.264 -2.634 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.946 -13.083 -2.809 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.086 -12.895 -4.127 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.600 -10.989 -1.813 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.303 -10.704 -3.517 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.881 -10.561 -2.099 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.411 -10.624 -5.348 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.836 -9.862 -6.063 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.595 -9.607 -3.081 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.579 -9.306 -4.822 1.00 0.00 H new ATOM 174 N ASP A 13 -6.267 -15.190 0.181 1.00 0.00 N ATOM 175 CA ASP A 13 -7.406 -15.850 0.840 1.00 0.00 C ATOM 176 C ASP A 13 -7.634 -15.377 2.292 1.00 0.00 C ATOM 177 O ASP A 13 -8.735 -15.511 2.822 1.00 0.00 O ATOM 178 CB ASP A 13 -7.186 -17.367 0.815 1.00 0.00 C ATOM 179 CG ASP A 13 -7.166 -17.941 -0.609 1.00 0.00 C ATOM 180 OD1 ASP A 13 -8.252 -18.249 -1.154 1.00 0.00 O ATOM 181 OD2 ASP A 13 -6.053 -18.090 -1.175 1.00 0.00 O ATOM 0 H ASP A 13 -5.493 -15.825 -0.012 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.303 -15.576 0.285 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.243 -17.601 1.310 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.976 -17.854 1.387 1.00 0.00 H new ATOM 185 N GLU A 14 -6.600 -14.819 2.933 1.00 0.00 N ATOM 186 CA GLU A 14 -6.641 -14.216 4.262 1.00 0.00 C ATOM 187 C GLU A 14 -6.964 -12.711 4.185 1.00 0.00 C ATOM 188 O GLU A 14 -7.688 -12.195 5.037 1.00 0.00 O ATOM 189 CB GLU A 14 -5.296 -14.462 4.965 1.00 0.00 C ATOM 190 CG GLU A 14 -5.044 -15.936 5.303 1.00 0.00 C ATOM 191 CD GLU A 14 -3.663 -16.115 5.943 1.00 0.00 C ATOM 192 OE1 GLU A 14 -2.648 -15.996 5.221 1.00 0.00 O ATOM 193 OE2 GLU A 14 -3.584 -16.380 7.167 1.00 0.00 O ATOM 0 H GLU A 14 -5.670 -14.776 2.516 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.439 -14.680 4.841 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.490 -14.101 4.327 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.262 -13.876 5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.816 -16.295 5.984 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.112 -16.539 4.397 1.00 0.00 H new ATOM 198 N LEU A 15 -6.495 -11.998 3.148 1.00 0.00 N ATOM 199 CA LEU A 15 -6.909 -10.618 2.840 1.00 0.00 C ATOM 200 C LEU A 15 -8.410 -10.527 2.529 1.00 0.00 C ATOM 201 O LEU A 15 -9.042 -9.544 2.891 1.00 0.00 O ATOM 202 CB LEU A 15 -6.107 -10.045 1.653 1.00 0.00 C ATOM 203 CG LEU A 15 -4.711 -9.477 1.988 1.00 0.00 C ATOM 204 CD1 LEU A 15 -3.646 -10.554 2.186 1.00 0.00 C ATOM 205 CD2 LEU A 15 -4.236 -8.594 0.835 1.00 0.00 C ATOM 0 H LEU A 15 -5.808 -12.368 2.491 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.702 -10.026 3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.988 -10.832 0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.697 -9.254 1.190 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.826 -8.928 2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.691 -10.083 2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.938 -11.207 3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.548 -11.141 1.273 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.250 -8.191 1.068 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.179 -9.187 -0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.939 -7.773 0.692 1.00 0.00 H new ATOM 216 N ASP A 16 -8.995 -11.553 1.906 1.00 0.00 N ATOM 217 CA ASP A 16 -10.425 -11.625 1.559 1.00 0.00 C ATOM 218 C ASP A 16 -11.353 -11.458 2.778 1.00 0.00 C ATOM 219 O ASP A 16 -12.500 -11.029 2.636 1.00 0.00 O ATOM 220 CB ASP A 16 -10.676 -12.982 0.889 1.00 0.00 C ATOM 221 CG ASP A 16 -12.113 -13.144 0.363 1.00 0.00 C ATOM 222 OD1 ASP A 16 -12.446 -12.525 -0.675 1.00 0.00 O ATOM 223 OD2 ASP A 16 -12.890 -13.913 0.973 1.00 0.00 O ATOM 0 H ASP A 16 -8.476 -12.383 1.619 1.00 0.00 H new ATOM 0 HA ASP A 16 -10.658 -10.798 0.888 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.977 -13.106 0.061 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -10.467 -13.777 1.605 1.00 0.00 H new ATOM 227 N ARG A 17 -10.835 -11.769 3.973 1.00 0.00 N ATOM 228 CA ARG A 17 -11.539 -11.685 5.255 1.00 0.00 C ATOM 229 C ARG A 17 -11.554 -10.261 5.843 1.00 0.00 C ATOM 230 O ARG A 17 -12.296 -10.015 6.799 1.00 0.00 O ATOM 231 CB ARG A 17 -10.877 -12.663 6.240 1.00 0.00 C ATOM 232 CG ARG A 17 -10.897 -14.119 5.735 1.00 0.00 C ATOM 233 CD ARG A 17 -10.037 -15.050 6.597 1.00 0.00 C ATOM 234 NE ARG A 17 -10.569 -15.186 7.963 1.00 0.00 N ATOM 235 CZ ARG A 17 -9.929 -15.674 9.020 1.00 0.00 C ATOM 236 NH1 ARG A 17 -8.703 -16.149 8.939 1.00 0.00 N ATOM 237 NH2 ARG A 17 -10.524 -15.687 10.194 1.00 0.00 N ATOM 0 H ARG A 17 -9.875 -12.099 4.075 1.00 0.00 H new ATOM 0 HA ARG A 17 -12.582 -11.952 5.085 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.845 -12.356 6.412 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.390 -12.608 7.200 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.924 -14.483 5.726 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.539 -14.148 4.706 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.986 -16.033 6.129 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.018 -14.665 6.642 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.528 -14.873 8.113 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.214 -16.150 8.044 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.242 -16.516 9.772 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.472 -15.323 10.289 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.037 -16.061 11.009 1.00 0.00 H new ATOM 248 N LEU A 18 -10.743 -9.329 5.317 1.00 0.00 N ATOM 249 CA LEU A 18 -10.705 -7.933 5.804 1.00 0.00 C ATOM 250 C LEU A 18 -12.002 -7.172 5.470 1.00 0.00 C ATOM 251 O LEU A 18 -12.752 -7.582 4.581 1.00 0.00 O ATOM 252 CB LEU A 18 -9.400 -7.225 5.362 1.00 0.00 C ATOM 253 CG LEU A 18 -9.330 -6.563 3.964 1.00 0.00 C ATOM 254 CD1 LEU A 18 -9.996 -5.180 3.913 1.00 0.00 C ATOM 255 CD2 LEU A 18 -7.850 -6.402 3.584 1.00 0.00 C ATOM 0 H LEU A 18 -10.099 -9.515 4.549 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.672 -7.942 6.893 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.180 -6.454 6.100 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.595 -7.958 5.417 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.870 -7.207 3.270 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.911 -4.772 2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.049 -5.273 4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.501 -4.512 4.618 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.775 -5.937 2.601 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.351 -5.773 4.322 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.372 -7.381 3.559 1.00 0.00 H new ATOM 266 N ALA A 19 -12.267 -6.060 6.168 1.00 0.00 N ATOM 267 CA ALA A 19 -13.489 -5.259 5.971 1.00 0.00 C ATOM 268 C ALA A 19 -13.260 -3.737 5.938 1.00 0.00 C ATOM 269 O ALA A 19 -13.841 -3.051 5.097 1.00 0.00 O ATOM 270 CB ALA A 19 -14.492 -5.664 7.053 1.00 0.00 C ATOM 0 H ALA A 19 -11.644 -5.688 6.885 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.880 -5.478 4.977 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -15.409 -5.087 6.933 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.717 -6.727 6.961 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -14.065 -5.467 8.037 1.00 0.00 H new ATOM 276 N GLY A 20 -12.404 -3.184 6.813 1.00 0.00 N ATOM 277 CA GLY A 20 -12.116 -1.746 6.840 1.00 0.00 C ATOM 278 C GLY A 20 -11.163 -1.304 5.716 1.00 0.00 C ATOM 279 O GLY A 20 -10.588 -2.157 5.036 1.00 0.00 O ATOM 0 H GLY A 20 -11.896 -3.720 7.517 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -13.051 -1.192 6.755 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -11.678 -1.487 7.804 1.00 0.00 H new ATOM 283 N PRO A 21 -10.973 0.018 5.509 1.00 0.00 N ATOM 284 CA PRO A 21 -10.073 0.543 4.491 1.00 0.00 C ATOM 285 C PRO A 21 -8.639 0.139 4.853 1.00 0.00 C ATOM 286 O PRO A 21 -8.103 0.578 5.870 1.00 0.00 O ATOM 287 CB PRO A 21 -10.280 2.067 4.487 1.00 0.00 C ATOM 288 CG PRO A 21 -10.809 2.369 5.892 1.00 0.00 C ATOM 289 CD PRO A 21 -11.595 1.108 6.248 1.00 0.00 C ATOM 0 HA PRO A 21 -10.269 0.150 3.493 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.348 2.596 4.288 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.990 2.372 3.718 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.998 2.550 6.597 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -11.444 3.255 5.901 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -11.562 0.919 7.321 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -12.645 1.214 5.975 1.00 0.00 H new ATOM 294 N THR A 22 -8.041 -0.724 4.023 1.00 0.00 N ATOM 295 CA THR A 22 -6.698 -1.279 4.237 1.00 0.00 C ATOM 296 C THR A 22 -5.877 -1.125 2.963 1.00 0.00 C ATOM 297 O THR A 22 -6.218 -1.681 1.920 1.00 0.00 O ATOM 298 CB THR A 22 -6.783 -2.755 4.643 1.00 0.00 C ATOM 299 OG1 THR A 22 -7.548 -2.864 5.822 1.00 0.00 O ATOM 300 CG2 THR A 22 -5.405 -3.355 4.929 1.00 0.00 C ATOM 0 H THR A 22 -8.484 -1.062 3.169 1.00 0.00 H new ATOM 0 HA THR A 22 -6.212 -0.733 5.046 1.00 0.00 H new ATOM 0 HB THR A 22 -7.236 -3.295 3.812 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.485 -2.654 5.625 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.516 -4.402 5.213 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.785 -3.285 4.035 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.931 -2.807 5.743 1.00 0.00 H new ATOM 308 N LEU A 23 -4.771 -0.396 3.042 1.00 0.00 N ATOM 309 CA LEU A 23 -3.800 -0.256 1.966 1.00 0.00 C ATOM 310 C LEU A 23 -2.756 -1.379 2.032 1.00 0.00 C ATOM 311 O LEU A 23 -2.143 -1.587 3.079 1.00 0.00 O ATOM 312 CB LEU A 23 -3.159 1.144 2.081 1.00 0.00 C ATOM 313 CG LEU A 23 -2.221 1.512 0.921 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.915 1.300 -0.422 1.00 0.00 C ATOM 315 CD2 LEU A 23 -1.711 2.937 1.071 1.00 0.00 C ATOM 0 H LEU A 23 -4.518 0.128 3.880 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.286 -0.345 0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.952 1.889 2.141 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.600 1.198 3.015 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.356 0.850 0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.233 1.566 -1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.204 0.254 -0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.804 1.928 -0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.049 3.176 0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.555 3.627 1.073 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.163 3.031 2.009 1.00 0.00 H new ATOM 326 N VAL A 24 -2.530 -2.084 0.922 1.00 0.00 N ATOM 327 CA VAL A 24 -1.515 -3.146 0.811 1.00 0.00 C ATOM 328 C VAL A 24 -0.372 -2.665 -0.077 1.00 0.00 C ATOM 329 O VAL A 24 -0.583 -2.384 -1.253 1.00 0.00 O ATOM 330 CB VAL A 24 -2.113 -4.464 0.269 1.00 0.00 C ATOM 331 CG1 VAL A 24 -1.083 -5.600 0.386 1.00 0.00 C ATOM 332 CG2 VAL A 24 -3.399 -4.873 1.012 1.00 0.00 C ATOM 0 H VAL A 24 -3.052 -1.935 0.059 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.135 -3.360 1.810 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.368 -4.290 -0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.515 -6.524 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.194 -5.347 -0.192 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.808 -5.736 1.432 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -3.780 -5.805 0.594 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.179 -5.013 2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.149 -4.091 0.898 1.00 0.00 H new ATOM 342 N GLU A 25 0.812 -2.556 0.509 1.00 0.00 N ATOM 343 CA GLU A 25 2.013 -1.911 -0.024 1.00 0.00 C ATOM 344 C GLU A 25 3.125 -2.946 -0.272 1.00 0.00 C ATOM 345 O GLU A 25 3.487 -3.703 0.636 1.00 0.00 O ATOM 346 CB GLU A 25 2.407 -0.827 1.006 1.00 0.00 C ATOM 347 CG GLU A 25 3.831 -0.277 0.970 1.00 0.00 C ATOM 348 CD GLU A 25 4.082 0.645 -0.228 1.00 0.00 C ATOM 349 OE1 GLU A 25 4.288 0.124 -1.343 1.00 0.00 O ATOM 350 OE2 GLU A 25 4.098 1.883 -0.036 1.00 0.00 O ATOM 0 H GLU A 25 0.975 -2.943 1.438 1.00 0.00 H new ATOM 0 HA GLU A 25 1.838 -1.450 -0.996 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.723 0.013 0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.234 -1.236 2.001 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.027 0.271 1.892 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.536 -1.108 0.937 1.00 0.00 H new ATOM 355 N PHE A 26 3.674 -2.975 -1.490 1.00 0.00 N ATOM 356 CA PHE A 26 4.734 -3.892 -1.920 1.00 0.00 C ATOM 357 C PHE A 26 6.067 -3.153 -2.108 1.00 0.00 C ATOM 358 O PHE A 26 6.136 -2.119 -2.781 1.00 0.00 O ATOM 359 CB PHE A 26 4.317 -4.595 -3.224 1.00 0.00 C ATOM 360 CG PHE A 26 2.896 -5.128 -3.192 1.00 0.00 C ATOM 361 CD1 PHE A 26 2.560 -6.206 -2.353 1.00 0.00 C ATOM 362 CD2 PHE A 26 1.890 -4.477 -3.930 1.00 0.00 C ATOM 363 CE1 PHE A 26 1.216 -6.594 -2.214 1.00 0.00 C ATOM 364 CE2 PHE A 26 0.553 -4.882 -3.809 1.00 0.00 C ATOM 365 CZ PHE A 26 0.214 -5.921 -2.929 1.00 0.00 C ATOM 0 H PHE A 26 3.382 -2.337 -2.231 1.00 0.00 H new ATOM 0 HA PHE A 26 4.879 -4.640 -1.141 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.416 -3.895 -4.054 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.003 -5.420 -3.419 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.334 -6.735 -1.816 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.148 -3.663 -4.591 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.955 -7.410 -1.557 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.215 -4.395 -4.392 1.00 0.00 H new ATOM 0 HZ PHE A 26 -0.821 -6.203 -2.802 1.00 0.00 H new ATOM 374 N GLY A 27 7.142 -3.701 -1.539 1.00 0.00 N ATOM 375 CA GLY A 27 8.462 -3.074 -1.560 1.00 0.00 C ATOM 376 C GLY A 27 9.410 -3.640 -0.506 1.00 0.00 C ATOM 377 O GLY A 27 9.236 -4.787 -0.095 1.00 0.00 O ATOM 0 H GLY A 27 7.120 -4.595 -1.049 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.905 -3.206 -2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.351 -2.001 -1.402 1.00 0.00 H new ATOM 381 N THR A 28 10.400 -2.855 -0.069 1.00 0.00 N ATOM 382 CA THR A 28 11.311 -3.165 1.045 1.00 0.00 C ATOM 383 C THR A 28 11.634 -1.892 1.818 1.00 0.00 C ATOM 384 O THR A 28 11.239 -0.801 1.425 1.00 0.00 O ATOM 385 CB THR A 28 12.602 -3.846 0.551 1.00 0.00 C ATOM 386 OG1 THR A 28 13.317 -2.959 -0.274 1.00 0.00 O ATOM 387 CG2 THR A 28 12.354 -5.157 -0.204 1.00 0.00 C ATOM 0 H THR A 28 10.599 -1.950 -0.496 1.00 0.00 H new ATOM 0 HA THR A 28 10.809 -3.869 1.709 1.00 0.00 H new ATOM 0 HB THR A 28 13.178 -4.101 1.440 1.00 0.00 H new ATOM 0 HG1 THR A 28 14.276 -3.152 -0.209 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.307 -5.580 -0.522 1.00 0.00 H new ATOM 0 HG22 THR A 28 11.844 -5.863 0.451 1.00 0.00 H new ATOM 0 HG23 THR A 28 11.734 -4.961 -1.079 1.00 0.00 H new ATOM 395 N ASP A 29 12.374 -1.999 2.917 1.00 0.00 N ATOM 396 CA ASP A 29 12.803 -0.821 3.689 1.00 0.00 C ATOM 397 C ASP A 29 14.069 -0.154 3.088 1.00 0.00 C ATOM 398 O ASP A 29 14.515 0.883 3.579 1.00 0.00 O ATOM 399 CB ASP A 29 12.983 -1.227 5.159 1.00 0.00 C ATOM 400 CG ASP A 29 13.054 -0.010 6.099 1.00 0.00 C ATOM 401 OD1 ASP A 29 12.096 0.801 6.093 1.00 0.00 O ATOM 402 OD2 ASP A 29 14.039 0.105 6.865 1.00 0.00 O ATOM 0 H ASP A 29 12.694 -2.889 3.300 1.00 0.00 H new ATOM 0 HA ASP A 29 12.029 -0.055 3.634 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.154 -1.868 5.460 1.00 0.00 H new ATOM 0 HB3 ASP A 29 13.895 -1.816 5.262 1.00 0.00 H new ATOM 406 N TRP A 30 14.642 -0.743 2.027 1.00 0.00 N ATOM 407 CA TRP A 30 15.995 -0.452 1.545 1.00 0.00 C ATOM 408 C TRP A 30 16.127 -0.153 0.034 1.00 0.00 C ATOM 409 O TRP A 30 17.135 0.446 -0.355 1.00 0.00 O ATOM 410 CB TRP A 30 16.899 -1.622 1.967 1.00 0.00 C ATOM 411 CG TRP A 30 16.475 -3.002 1.563 1.00 0.00 C ATOM 412 CD1 TRP A 30 15.878 -3.905 2.369 1.00 0.00 C ATOM 413 CD2 TRP A 30 16.629 -3.662 0.275 1.00 0.00 C ATOM 414 NE1 TRP A 30 15.646 -5.074 1.673 1.00 0.00 N ATOM 415 CE2 TRP A 30 16.061 -4.969 0.362 1.00 0.00 C ATOM 416 CE3 TRP A 30 17.178 -3.278 -0.967 1.00 0.00 C ATOM 417 CZ2 TRP A 30 16.005 -5.842 -0.735 1.00 0.00 C ATOM 418 CZ3 TRP A 30 17.148 -4.151 -2.067 1.00 0.00 C ATOM 419 CH2 TRP A 30 16.554 -5.425 -1.960 1.00 0.00 C ATOM 0 H TRP A 30 14.164 -1.451 1.470 1.00 0.00 H new ATOM 0 HA TRP A 30 16.302 0.488 2.004 1.00 0.00 H new ATOM 0 HB2 TRP A 30 17.894 -1.443 1.560 1.00 0.00 H new ATOM 0 HB3 TRP A 30 16.991 -1.602 3.053 1.00 0.00 H new ATOM 0 HD1 TRP A 30 15.620 -3.738 3.404 1.00 0.00 H new ATOM 0 HE1 TRP A 30 15.222 -5.909 2.077 1.00 0.00 H new ATOM 0 HE3 TRP A 30 17.627 -2.301 -1.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.549 -6.816 -0.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 17.585 -3.843 -3.005 1.00 0.00 H new ATOM 0 HH2 TRP A 30 16.521 -6.080 -2.818 1.00 0.00 H new ATOM 429 N CYS A 31 15.149 -0.504 -0.816 1.00 0.00 N ATOM 430 CA CYS A 31 15.209 -0.184 -2.252 1.00 0.00 C ATOM 431 C CYS A 31 15.045 1.321 -2.512 1.00 0.00 C ATOM 432 O CYS A 31 14.242 1.978 -1.843 1.00 0.00 O ATOM 433 CB CYS A 31 14.149 -0.995 -3.015 1.00 0.00 C ATOM 434 SG CYS A 31 14.286 -0.655 -4.803 1.00 0.00 S ATOM 0 H CYS A 31 14.308 -1.009 -0.535 1.00 0.00 H new ATOM 0 HA CYS A 31 16.198 -0.461 -2.618 1.00 0.00 H new ATOM 0 HB2 CYS A 31 14.286 -2.060 -2.826 1.00 0.00 H new ATOM 0 HB3 CYS A 31 13.152 -0.734 -2.660 1.00 0.00 H new ATOM 0 HG CYS A 31 13.390 -1.344 -5.446 1.00 0.00 H new ATOM 439 N GLY A 32 15.761 1.861 -3.511 1.00 0.00 N ATOM 440 CA GLY A 32 15.685 3.266 -3.939 1.00 0.00 C ATOM 441 C GLY A 32 14.309 3.687 -4.463 1.00 0.00 C ATOM 442 O GLY A 32 13.950 4.858 -4.347 1.00 0.00 O ATOM 0 H GLY A 32 16.427 1.316 -4.058 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.953 3.906 -3.098 1.00 0.00 H new ATOM 0 HA3 GLY A 32 16.427 3.438 -4.719 1.00 0.00 H new ATOM 446 N HIS A 33 13.505 2.746 -4.967 1.00 0.00 N ATOM 447 CA HIS A 33 12.081 2.976 -5.240 1.00 0.00 C ATOM 448 C HIS A 33 11.320 3.308 -3.944 1.00 0.00 C ATOM 449 O HIS A 33 10.580 4.292 -3.855 1.00 0.00 O ATOM 450 CB HIS A 33 11.467 1.715 -5.873 1.00 0.00 C ATOM 451 CG HIS A 33 11.709 1.488 -7.343 1.00 0.00 C ATOM 452 ND1 HIS A 33 11.879 0.265 -7.946 1.00 0.00 N ATOM 453 CD2 HIS A 33 11.547 2.414 -8.341 1.00 0.00 C ATOM 454 CE1 HIS A 33 11.800 0.442 -9.273 1.00 0.00 C ATOM 455 NE2 HIS A 33 11.610 1.742 -9.570 1.00 0.00 N ATOM 0 H HIS A 33 13.821 1.804 -5.197 1.00 0.00 H new ATOM 0 HA HIS A 33 11.996 3.820 -5.924 1.00 0.00 H new ATOM 0 HB2 HIS A 33 11.846 0.848 -5.332 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.390 1.747 -5.710 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.397 3.475 -8.204 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.878 -0.350 -10.004 1.00 0.00 H new ATOM 0 HE2 HIS A 33 11.529 2.154 -10.500 1.00 0.00 H new ATOM 463 N CYS A 34 11.541 2.495 -2.910 1.00 0.00 N ATOM 464 CA CYS A 34 10.921 2.658 -1.601 1.00 0.00 C ATOM 465 C CYS A 34 11.395 3.901 -0.859 1.00 0.00 C ATOM 466 O CYS A 34 10.589 4.531 -0.185 1.00 0.00 O ATOM 467 CB CYS A 34 11.192 1.394 -0.793 1.00 0.00 C ATOM 468 SG CYS A 34 9.909 0.203 -1.260 1.00 0.00 S ATOM 0 H CYS A 34 12.167 1.692 -2.963 1.00 0.00 H new ATOM 0 HA CYS A 34 9.850 2.804 -1.740 1.00 0.00 H new ATOM 0 HB2 CYS A 34 12.185 1.000 -1.010 1.00 0.00 H new ATOM 0 HB3 CYS A 34 11.158 1.602 0.276 1.00 0.00 H new ATOM 0 HG CYS A 34 10.400 -0.654 -2.105 1.00 0.00 H new ATOM 473 N GLN A 35 12.650 4.321 -1.011 1.00 0.00 N ATOM 474 CA GLN A 35 13.150 5.496 -0.284 1.00 0.00 C ATOM 475 C GLN A 35 12.448 6.793 -0.727 1.00 0.00 C ATOM 476 O GLN A 35 12.438 7.781 0.007 1.00 0.00 O ATOM 477 CB GLN A 35 14.665 5.683 -0.460 1.00 0.00 C ATOM 478 CG GLN A 35 15.522 4.467 -0.110 1.00 0.00 C ATOM 479 CD GLN A 35 15.172 3.803 1.214 1.00 0.00 C ATOM 480 OE1 GLN A 35 15.413 4.327 2.291 1.00 0.00 O ATOM 481 NE2 GLN A 35 14.589 2.630 1.172 1.00 0.00 N ATOM 0 H GLN A 35 13.335 3.875 -1.622 1.00 0.00 H new ATOM 0 HA GLN A 35 12.928 5.304 0.766 1.00 0.00 H new ATOM 0 HB2 GLN A 35 14.862 5.958 -1.496 1.00 0.00 H new ATOM 0 HB3 GLN A 35 14.985 6.521 0.159 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.426 3.730 -0.907 1.00 0.00 H new ATOM 0 HG3 GLN A 35 16.568 4.772 -0.083 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.388 2.192 0.273 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.337 2.155 2.038 1.00 0.00 H new ATOM 488 N ALA A 36 11.858 6.773 -1.921 1.00 0.00 N ATOM 489 CA ALA A 36 11.052 7.849 -2.493 1.00 0.00 C ATOM 490 C ALA A 36 9.568 7.751 -2.086 1.00 0.00 C ATOM 491 O ALA A 36 8.949 8.772 -1.796 1.00 0.00 O ATOM 492 CB ALA A 36 11.231 7.787 -4.017 1.00 0.00 C ATOM 0 H ALA A 36 11.933 5.969 -2.544 1.00 0.00 H new ATOM 0 HA ALA A 36 11.389 8.811 -2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 36 10.643 8.577 -4.485 1.00 0.00 H new ATOM 0 HB2 ALA A 36 12.284 7.922 -4.266 1.00 0.00 H new ATOM 0 HB3 ALA A 36 10.893 6.818 -4.384 1.00 0.00 H new ATOM 498 N ALA A 37 9.002 6.538 -2.035 1.00 0.00 N ATOM 499 CA ALA A 37 7.584 6.304 -1.731 1.00 0.00 C ATOM 500 C ALA A 37 7.276 6.220 -0.226 1.00 0.00 C ATOM 501 O ALA A 37 6.185 6.596 0.196 1.00 0.00 O ATOM 502 CB ALA A 37 7.131 5.039 -2.465 1.00 0.00 C ATOM 0 H ALA A 37 9.524 5.679 -2.206 1.00 0.00 H new ATOM 0 HA ALA A 37 7.021 7.169 -2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.079 4.850 -2.250 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.263 5.174 -3.538 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.728 4.191 -2.130 1.00 0.00 H new ATOM 508 N GLN A 38 8.228 5.772 0.596 1.00 0.00 N ATOM 509 CA GLN A 38 8.065 5.689 2.055 1.00 0.00 C ATOM 510 C GLN A 38 7.786 7.060 2.708 1.00 0.00 C ATOM 511 O GLN A 38 6.764 7.166 3.397 1.00 0.00 O ATOM 512 CB GLN A 38 9.286 5.006 2.697 1.00 0.00 C ATOM 513 CG GLN A 38 9.244 3.473 2.568 1.00 0.00 C ATOM 514 CD GLN A 38 10.439 2.807 3.258 1.00 0.00 C ATOM 515 OE1 GLN A 38 11.521 2.703 2.704 1.00 0.00 O ATOM 516 NE2 GLN A 38 10.284 2.360 4.488 1.00 0.00 N ATOM 0 H GLN A 38 9.140 5.454 0.269 1.00 0.00 H new ATOM 0 HA GLN A 38 7.182 5.078 2.241 1.00 0.00 H new ATOM 0 HB2 GLN A 38 10.196 5.381 2.228 1.00 0.00 H new ATOM 0 HB3 GLN A 38 9.336 5.277 3.752 1.00 0.00 H new ATOM 0 HG2 GLN A 38 8.318 3.098 3.004 1.00 0.00 H new ATOM 0 HG3 GLN A 38 9.235 3.198 1.513 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.380 2.447 4.952 1.00 0.00 H new ATOM 0 HE22 GLN A 38 11.068 1.928 4.976 1.00 0.00 H new ATOM 523 N PRO A 39 8.599 8.118 2.491 1.00 0.00 N ATOM 524 CA PRO A 39 8.298 9.447 3.016 1.00 0.00 C ATOM 525 C PRO A 39 7.080 10.086 2.327 1.00 0.00 C ATOM 526 O PRO A 39 6.507 11.041 2.852 1.00 0.00 O ATOM 527 CB PRO A 39 9.564 10.284 2.814 1.00 0.00 C ATOM 528 CG PRO A 39 10.208 9.642 1.589 1.00 0.00 C ATOM 529 CD PRO A 39 9.871 8.163 1.768 1.00 0.00 C ATOM 0 HA PRO A 39 8.027 9.389 4.070 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.330 11.335 2.643 1.00 0.00 H new ATOM 0 HB3 PRO A 39 10.219 10.241 3.684 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.799 10.041 0.661 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.284 9.812 1.562 1.00 0.00 H new ATOM 0 HD2 PRO A 39 9.788 7.663 0.803 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.654 7.650 2.326 1.00 0.00 H new ATOM 534 N LEU A 40 6.649 9.552 1.171 1.00 0.00 N ATOM 535 CA LEU A 40 5.429 9.978 0.489 1.00 0.00 C ATOM 536 C LEU A 40 4.205 9.526 1.285 1.00 0.00 C ATOM 537 O LEU A 40 3.414 10.370 1.705 1.00 0.00 O ATOM 538 CB LEU A 40 5.395 9.387 -0.933 1.00 0.00 C ATOM 539 CG LEU A 40 5.098 10.356 -2.081 1.00 0.00 C ATOM 540 CD1 LEU A 40 3.877 11.237 -1.805 1.00 0.00 C ATOM 541 CD2 LEU A 40 6.311 11.219 -2.435 1.00 0.00 C ATOM 0 H LEU A 40 7.147 8.806 0.685 1.00 0.00 H new ATOM 0 HA LEU A 40 5.415 11.066 0.417 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.359 8.916 -1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.644 8.597 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 40 4.865 9.731 -2.943 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.712 11.905 -2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.999 10.607 -1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.050 11.827 -0.905 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.053 11.890 -3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.607 11.805 -1.565 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.138 10.577 -2.739 1.00 0.00 H new ATOM 552 N LEU A 41 4.101 8.214 1.553 1.00 0.00 N ATOM 553 CA LEU A 41 3.065 7.631 2.409 1.00 0.00 C ATOM 554 C LEU A 41 3.090 8.325 3.767 1.00 0.00 C ATOM 555 O LEU A 41 2.053 8.797 4.207 1.00 0.00 O ATOM 556 CB LEU A 41 3.178 6.096 2.535 1.00 0.00 C ATOM 557 CG LEU A 41 2.445 5.252 1.448 1.00 0.00 C ATOM 558 CD1 LEU A 41 0.998 5.681 1.191 1.00 0.00 C ATOM 559 CD2 LEU A 41 3.259 5.220 0.153 1.00 0.00 C ATOM 0 H LEU A 41 4.746 7.521 1.173 1.00 0.00 H new ATOM 0 HA LEU A 41 2.097 7.802 1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.235 5.829 2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.791 5.805 3.511 1.00 0.00 H new ATOM 0 HG LEU A 41 2.373 4.241 1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.561 5.044 0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.422 5.587 2.111 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.980 6.718 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.732 4.626 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.392 6.236 -0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.235 4.775 0.347 1.00 0.00 H new ATOM 570 N ALA A 42 4.267 8.523 4.368 1.00 0.00 N ATOM 571 CA ALA A 42 4.426 9.240 5.639 1.00 0.00 C ATOM 572 C ALA A 42 3.746 10.628 5.659 1.00 0.00 C ATOM 573 O ALA A 42 3.131 11.001 6.661 1.00 0.00 O ATOM 574 CB ALA A 42 5.921 9.358 5.943 1.00 0.00 C ATOM 0 H ALA A 42 5.148 8.186 3.981 1.00 0.00 H new ATOM 0 HA ALA A 42 3.919 8.664 6.413 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.060 9.889 6.885 1.00 0.00 H new ATOM 0 HB2 ALA A 42 6.356 8.362 6.020 1.00 0.00 H new ATOM 0 HB3 ALA A 42 6.413 9.908 5.141 1.00 0.00 H new ATOM 580 N GLU A 43 3.823 11.379 4.553 1.00 0.00 N ATOM 581 CA GLU A 43 3.193 12.705 4.432 1.00 0.00 C ATOM 582 C GLU A 43 1.666 12.614 4.288 1.00 0.00 C ATOM 583 O GLU A 43 0.950 13.343 4.978 1.00 0.00 O ATOM 584 CB GLU A 43 3.782 13.468 3.238 1.00 0.00 C ATOM 585 CG GLU A 43 5.194 14.003 3.519 1.00 0.00 C ATOM 586 CD GLU A 43 5.171 15.268 4.388 1.00 0.00 C ATOM 587 OE1 GLU A 43 4.886 16.368 3.865 1.00 0.00 O ATOM 588 OE2 GLU A 43 5.464 15.178 5.604 1.00 0.00 O ATOM 0 H GLU A 43 4.324 11.086 3.714 1.00 0.00 H new ATOM 0 HA GLU A 43 3.406 13.245 5.355 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.813 12.810 2.370 1.00 0.00 H new ATOM 0 HB3 GLU A 43 3.126 14.300 2.984 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.781 13.232 4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.693 14.222 2.575 1.00 0.00 H new ATOM 593 N VAL A 44 1.154 11.715 3.440 1.00 0.00 N ATOM 594 CA VAL A 44 -0.302 11.542 3.242 1.00 0.00 C ATOM 595 C VAL A 44 -0.992 10.909 4.465 1.00 0.00 C ATOM 596 O VAL A 44 -1.967 11.454 4.973 1.00 0.00 O ATOM 597 CB VAL A 44 -0.640 10.790 1.925 1.00 0.00 C ATOM 598 CG1 VAL A 44 0.113 9.496 1.695 1.00 0.00 C ATOM 599 CG2 VAL A 44 -2.123 10.449 1.812 1.00 0.00 C ATOM 0 H VAL A 44 1.726 11.089 2.873 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.713 12.546 3.138 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.328 11.511 1.170 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.200 9.056 0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.184 9.699 1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.102 8.801 2.507 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.305 9.925 0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.414 9.812 2.647 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.710 11.367 1.834 1.00 0.00 H new ATOM 609 N PHE A 45 -0.469 9.785 4.956 1.00 0.00 N ATOM 610 CA PHE A 45 -1.069 8.938 5.995 1.00 0.00 C ATOM 611 C PHE A 45 -1.226 9.658 7.345 1.00 0.00 C ATOM 612 O PHE A 45 -2.098 9.297 8.136 1.00 0.00 O ATOM 613 CB PHE A 45 -0.228 7.651 6.160 1.00 0.00 C ATOM 614 CG PHE A 45 -1.009 6.359 6.254 1.00 0.00 C ATOM 615 CD1 PHE A 45 -1.932 6.137 7.290 1.00 0.00 C ATOM 616 CD2 PHE A 45 -0.802 5.356 5.288 1.00 0.00 C ATOM 617 CE1 PHE A 45 -2.659 4.940 7.337 1.00 0.00 C ATOM 618 CE2 PHE A 45 -1.526 4.158 5.338 1.00 0.00 C ATOM 619 CZ PHE A 45 -2.465 3.951 6.357 1.00 0.00 C ATOM 0 H PHE A 45 0.425 9.421 4.627 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.077 8.686 5.667 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.458 7.578 5.316 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.381 7.751 7.058 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.081 6.889 8.050 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.079 5.512 4.501 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.373 4.776 8.131 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.361 3.395 4.592 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.037 3.036 6.389 1.00 0.00 H new ATOM 628 N SER A 46 -0.438 10.701 7.598 1.00 0.00 N ATOM 629 CA SER A 46 -0.545 11.541 8.800 1.00 0.00 C ATOM 630 C SER A 46 -1.927 12.210 8.954 1.00 0.00 C ATOM 631 O SER A 46 -2.302 12.573 10.070 1.00 0.00 O ATOM 632 CB SER A 46 0.555 12.618 8.798 1.00 0.00 C ATOM 633 OG SER A 46 1.845 12.053 8.997 1.00 0.00 O ATOM 0 H SER A 46 0.307 10.995 6.966 1.00 0.00 H new ATOM 0 HA SER A 46 -0.417 10.875 9.653 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.536 13.156 7.850 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.352 13.347 9.583 1.00 0.00 H new ATOM 0 HG SER A 46 2.200 11.738 8.140 1.00 0.00 H new ATOM 638 N ASP A 47 -2.707 12.354 7.874 1.00 0.00 N ATOM 639 CA ASP A 47 -4.093 12.868 7.895 1.00 0.00 C ATOM 640 C ASP A 47 -5.164 11.759 7.877 1.00 0.00 C ATOM 641 O ASP A 47 -6.343 12.040 8.091 1.00 0.00 O ATOM 642 CB ASP A 47 -4.270 13.829 6.712 1.00 0.00 C ATOM 643 CG ASP A 47 -5.489 14.752 6.882 1.00 0.00 C ATOM 644 OD1 ASP A 47 -5.525 15.521 7.873 1.00 0.00 O ATOM 645 OD2 ASP A 47 -6.386 14.753 6.002 1.00 0.00 O ATOM 0 H ASP A 47 -2.388 12.112 6.936 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.244 13.390 8.840 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.371 14.436 6.603 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.379 13.253 5.793 1.00 0.00 H new ATOM 649 N TYR A 48 -4.762 10.496 7.661 1.00 0.00 N ATOM 650 CA TYR A 48 -5.649 9.322 7.541 1.00 0.00 C ATOM 651 C TYR A 48 -5.244 8.118 8.430 1.00 0.00 C ATOM 652 O TYR A 48 -5.309 6.974 7.956 1.00 0.00 O ATOM 653 CB TYR A 48 -5.743 8.918 6.054 1.00 0.00 C ATOM 654 CG TYR A 48 -6.038 10.062 5.106 1.00 0.00 C ATOM 655 CD1 TYR A 48 -7.341 10.583 4.998 1.00 0.00 C ATOM 656 CD2 TYR A 48 -4.998 10.625 4.346 1.00 0.00 C ATOM 657 CE1 TYR A 48 -7.610 11.657 4.137 1.00 0.00 C ATOM 658 CE2 TYR A 48 -5.249 11.736 3.518 1.00 0.00 C ATOM 659 CZ TYR A 48 -6.555 12.264 3.414 1.00 0.00 C ATOM 660 OH TYR A 48 -6.785 13.341 2.615 1.00 0.00 O ATOM 0 H TYR A 48 -3.776 10.253 7.561 1.00 0.00 H new ATOM 0 HA TYR A 48 -6.628 9.619 7.918 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.803 8.452 5.758 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.522 8.163 5.945 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.140 10.152 5.583 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.005 10.205 4.397 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.621 12.021 4.026 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -4.441 12.186 2.961 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.945 13.625 2.198 1.00 0.00 H new ATOM 669 N PRO A 49 -4.872 8.298 9.717 1.00 0.00 N ATOM 670 CA PRO A 49 -4.398 7.208 10.581 1.00 0.00 C ATOM 671 C PRO A 49 -5.441 6.097 10.807 1.00 0.00 C ATOM 672 O PRO A 49 -5.072 4.995 11.206 1.00 0.00 O ATOM 673 CB PRO A 49 -3.994 7.875 11.900 1.00 0.00 C ATOM 674 CG PRO A 49 -4.875 9.120 11.954 1.00 0.00 C ATOM 675 CD PRO A 49 -4.940 9.537 10.487 1.00 0.00 C ATOM 0 HA PRO A 49 -3.564 6.691 10.106 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.173 7.220 12.752 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.935 8.132 11.912 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.863 8.902 12.359 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.440 9.899 12.579 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.862 10.079 10.275 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.114 10.201 10.232 1.00 0.00 H new ATOM 680 N GLU A 50 -6.728 6.349 10.525 1.00 0.00 N ATOM 681 CA GLU A 50 -7.793 5.342 10.549 1.00 0.00 C ATOM 682 C GLU A 50 -7.697 4.276 9.432 1.00 0.00 C ATOM 683 O GLU A 50 -8.335 3.226 9.544 1.00 0.00 O ATOM 684 CB GLU A 50 -9.162 6.045 10.531 1.00 0.00 C ATOM 685 CG GLU A 50 -9.475 6.804 9.233 1.00 0.00 C ATOM 686 CD GLU A 50 -10.821 7.522 9.361 1.00 0.00 C ATOM 687 OE1 GLU A 50 -11.877 6.894 9.114 1.00 0.00 O ATOM 688 OE2 GLU A 50 -10.835 8.721 9.730 1.00 0.00 O ATOM 0 H GLU A 50 -7.062 7.278 10.269 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.668 4.781 11.475 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.940 5.300 10.697 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.207 6.745 11.365 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.686 7.527 9.025 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.502 6.110 8.393 1.00 0.00 H new ATOM 693 N VAL A 51 -6.905 4.507 8.376 1.00 0.00 N ATOM 694 CA VAL A 51 -6.625 3.508 7.324 1.00 0.00 C ATOM 695 C VAL A 51 -5.614 2.476 7.854 1.00 0.00 C ATOM 696 O VAL A 51 -4.692 2.825 8.593 1.00 0.00 O ATOM 697 CB VAL A 51 -6.136 4.190 6.013 1.00 0.00 C ATOM 698 CG1 VAL A 51 -5.841 3.208 4.865 1.00 0.00 C ATOM 699 CG2 VAL A 51 -7.185 5.198 5.504 1.00 0.00 C ATOM 0 H VAL A 51 -6.434 5.399 8.222 1.00 0.00 H new ATOM 0 HA VAL A 51 -7.547 2.985 7.071 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.202 4.681 6.285 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.506 3.763 3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.062 2.511 5.173 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.747 2.653 4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.826 5.665 4.587 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.122 4.678 5.304 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.350 5.965 6.261 1.00 0.00 H new ATOM 709 N GLY A 52 -5.757 1.196 7.490 1.00 0.00 N ATOM 710 CA GLY A 52 -4.781 0.141 7.798 1.00 0.00 C ATOM 711 C GLY A 52 -3.677 0.093 6.742 1.00 0.00 C ATOM 712 O GLY A 52 -3.931 0.389 5.583 1.00 0.00 O ATOM 0 H GLY A 52 -6.564 0.858 6.966 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.343 0.321 8.780 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -5.286 -0.824 7.846 1.00 0.00 H new ATOM 716 N HIS A 53 -2.454 -0.300 7.103 1.00 0.00 N ATOM 717 CA HIS A 53 -1.340 -0.407 6.144 1.00 0.00 C ATOM 718 C HIS A 53 -0.589 -1.733 6.305 1.00 0.00 C ATOM 719 O HIS A 53 -0.112 -2.054 7.400 1.00 0.00 O ATOM 720 CB HIS A 53 -0.393 0.793 6.334 1.00 0.00 C ATOM 721 CG HIS A 53 0.493 1.145 5.154 1.00 0.00 C ATOM 722 ND1 HIS A 53 1.641 1.911 5.203 1.00 0.00 N ATOM 723 CD2 HIS A 53 0.277 0.858 3.829 1.00 0.00 C ATOM 724 CE1 HIS A 53 2.111 2.055 3.950 1.00 0.00 C ATOM 725 NE2 HIS A 53 1.303 1.437 3.079 1.00 0.00 N ATOM 0 H HIS A 53 -2.204 -0.552 8.059 1.00 0.00 H new ATOM 0 HA HIS A 53 -1.742 -0.391 5.131 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -0.995 1.667 6.583 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.246 0.591 7.193 1.00 0.00 H new ATOM 0 HD1 HIS A 53 2.062 2.302 6.046 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.547 0.282 3.434 1.00 0.00 H new ATOM 0 HE1 HIS A 53 3.010 2.592 3.685 1.00 0.00 H new ATOM 733 N LEU A 54 -0.468 -2.491 5.212 1.00 0.00 N ATOM 734 CA LEU A 54 0.246 -3.767 5.150 1.00 0.00 C ATOM 735 C LEU A 54 1.456 -3.624 4.222 1.00 0.00 C ATOM 736 O LEU A 54 1.359 -3.802 3.009 1.00 0.00 O ATOM 737 CB LEU A 54 -0.755 -4.862 4.720 1.00 0.00 C ATOM 738 CG LEU A 54 -0.165 -6.271 4.499 1.00 0.00 C ATOM 739 CD1 LEU A 54 0.613 -6.790 5.713 1.00 0.00 C ATOM 740 CD2 LEU A 54 -1.295 -7.253 4.157 1.00 0.00 C ATOM 0 H LEU A 54 -0.878 -2.224 4.317 1.00 0.00 H new ATOM 0 HA LEU A 54 0.645 -4.062 6.120 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.535 -4.931 5.479 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.237 -4.543 3.796 1.00 0.00 H new ATOM 0 HG LEU A 54 0.542 -6.195 3.673 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.003 -7.784 5.497 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.440 -6.115 5.931 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.051 -6.840 6.576 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.878 -8.248 4.001 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.011 -7.284 4.978 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.800 -6.925 3.248 1.00 0.00 H new ATOM 751 N LYS A 55 2.618 -3.328 4.808 1.00 0.00 N ATOM 752 CA LYS A 55 3.910 -3.259 4.111 1.00 0.00 C ATOM 753 C LYS A 55 4.508 -4.662 3.914 1.00 0.00 C ATOM 754 O LYS A 55 5.128 -5.195 4.839 1.00 0.00 O ATOM 755 CB LYS A 55 4.858 -2.373 4.940 1.00 0.00 C ATOM 756 CG LYS A 55 4.748 -0.895 4.566 1.00 0.00 C ATOM 757 CD LYS A 55 5.361 0.047 5.606 1.00 0.00 C ATOM 758 CE LYS A 55 4.568 0.021 6.922 1.00 0.00 C ATOM 759 NZ LYS A 55 5.023 1.082 7.863 1.00 0.00 N ATOM 0 H LYS A 55 2.692 -3.124 5.805 1.00 0.00 H new ATOM 0 HA LYS A 55 3.769 -2.829 3.119 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.632 -2.495 5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.885 -2.707 4.793 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.240 -0.734 3.607 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.697 -0.640 4.432 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.395 -0.242 5.796 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.381 1.063 5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.507 0.154 6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.679 -0.955 7.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.464 1.032 8.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.029 0.941 8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.894 2.015 7.423 1.00 0.00 H new ATOM 769 N VAL A 56 4.361 -5.243 2.728 1.00 0.00 N ATOM 770 CA VAL A 56 4.872 -6.582 2.389 1.00 0.00 C ATOM 771 C VAL A 56 6.261 -6.485 1.783 1.00 0.00 C ATOM 772 O VAL A 56 6.457 -5.851 0.739 1.00 0.00 O ATOM 773 CB VAL A 56 3.934 -7.354 1.433 1.00 0.00 C ATOM 774 CG1 VAL A 56 4.453 -8.780 1.168 1.00 0.00 C ATOM 775 CG2 VAL A 56 2.523 -7.408 2.033 1.00 0.00 C ATOM 0 H VAL A 56 3.874 -4.793 1.953 1.00 0.00 H new ATOM 0 HA VAL A 56 4.918 -7.143 3.322 1.00 0.00 H new ATOM 0 HB VAL A 56 3.907 -6.828 0.479 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.771 -9.296 0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.443 -8.729 0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.513 -9.326 2.109 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.862 -7.952 1.359 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.557 -7.916 2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.147 -6.394 2.170 1.00 0.00 H new ATOM 785 N GLU A 57 7.201 -7.117 2.473 1.00 0.00 N ATOM 786 CA GLU A 57 8.596 -7.206 2.074 1.00 0.00 C ATOM 787 C GLU A 57 8.740 -8.177 0.896 1.00 0.00 C ATOM 788 O GLU A 57 8.612 -9.391 1.055 1.00 0.00 O ATOM 789 CB GLU A 57 9.464 -7.602 3.279 1.00 0.00 C ATOM 790 CG GLU A 57 10.891 -7.127 3.055 1.00 0.00 C ATOM 791 CD GLU A 57 11.831 -7.640 4.150 1.00 0.00 C ATOM 792 OE1 GLU A 57 11.900 -7.017 5.236 1.00 0.00 O ATOM 793 OE2 GLU A 57 12.518 -8.664 3.931 1.00 0.00 O ATOM 0 H GLU A 57 7.006 -7.596 3.352 1.00 0.00 H new ATOM 0 HA GLU A 57 8.949 -6.233 1.733 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.062 -7.161 4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 57 9.446 -8.684 3.413 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.242 -7.471 2.082 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.914 -6.037 3.035 1.00 0.00 H new ATOM 894 N GLY A 65 2.584 -9.096 -4.352 1.00 0.00 N ATOM 895 CA GLY A 65 2.390 -8.197 -5.507 1.00 0.00 C ATOM 896 C GLY A 65 2.264 -8.910 -6.859 1.00 0.00 C ATOM 897 O GLY A 65 1.681 -8.354 -7.794 1.00 0.00 O ATOM 0 HA2 GLY A 65 1.492 -7.602 -5.340 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.229 -7.502 -5.555 1.00 0.00 H new ATOM 901 N ARG A 66 2.736 -10.162 -6.960 1.00 0.00 N ATOM 902 CA ARG A 66 2.491 -11.054 -8.104 1.00 0.00 C ATOM 903 C ARG A 66 1.011 -11.454 -8.184 1.00 0.00 C ATOM 904 O ARG A 66 0.410 -11.351 -9.250 1.00 0.00 O ATOM 905 CB ARG A 66 3.390 -12.298 -7.996 1.00 0.00 C ATOM 906 CG ARG A 66 3.410 -13.134 -9.281 1.00 0.00 C ATOM 907 CD ARG A 66 4.416 -14.286 -9.165 1.00 0.00 C ATOM 908 NE ARG A 66 4.415 -15.116 -10.383 1.00 0.00 N ATOM 909 CZ ARG A 66 5.420 -15.856 -10.844 1.00 0.00 C ATOM 910 NH1 ARG A 66 6.606 -15.885 -10.269 1.00 0.00 N ATOM 911 NH2 ARG A 66 5.246 -16.592 -11.918 1.00 0.00 N ATOM 0 H ARG A 66 3.310 -10.591 -6.234 1.00 0.00 H new ATOM 0 HA ARG A 66 2.737 -10.520 -9.022 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.406 -11.986 -7.756 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.044 -12.919 -7.170 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.415 -13.533 -9.476 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.672 -12.500 -10.128 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.415 -13.885 -8.996 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.169 -14.903 -8.301 1.00 0.00 H new ATOM 0 HE ARG A 66 3.554 -15.124 -10.930 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.782 -15.325 -9.435 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.347 -16.468 -10.658 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.344 -16.594 -12.394 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.013 -17.161 -12.276 1.00 0.00 H new ATOM 922 N SER A 67 0.390 -11.794 -7.055 1.00 0.00 N ATOM 923 CA SER A 67 -1.027 -12.188 -6.958 1.00 0.00 C ATOM 924 C SER A 67 -1.990 -10.986 -6.929 1.00 0.00 C ATOM 925 O SER A 67 -3.205 -11.155 -7.016 1.00 0.00 O ATOM 926 CB SER A 67 -1.240 -13.047 -5.703 1.00 0.00 C ATOM 927 OG SER A 67 -0.355 -14.161 -5.680 1.00 0.00 O ATOM 0 H SER A 67 0.867 -11.805 -6.153 1.00 0.00 H new ATOM 0 HA SER A 67 -1.258 -12.758 -7.858 1.00 0.00 H new ATOM 0 HB2 SER A 67 -1.084 -12.438 -4.813 1.00 0.00 H new ATOM 0 HB3 SER A 67 -2.271 -13.399 -5.672 1.00 0.00 H new ATOM 0 HG SER A 67 -0.513 -14.688 -4.869 1.00 0.00 H new ATOM 932 N PHE A 68 -1.459 -9.763 -6.828 1.00 0.00 N ATOM 933 CA PHE A 68 -2.150 -8.518 -7.182 1.00 0.00 C ATOM 934 C PHE A 68 -1.920 -8.098 -8.639 1.00 0.00 C ATOM 935 O PHE A 68 -2.572 -7.161 -9.100 1.00 0.00 O ATOM 936 CB PHE A 68 -1.696 -7.397 -6.238 1.00 0.00 C ATOM 937 CG PHE A 68 -2.451 -7.405 -4.932 1.00 0.00 C ATOM 938 CD1 PHE A 68 -1.985 -8.176 -3.862 1.00 0.00 C ATOM 939 CD2 PHE A 68 -3.621 -6.642 -4.796 1.00 0.00 C ATOM 940 CE1 PHE A 68 -2.670 -8.164 -2.632 1.00 0.00 C ATOM 941 CE2 PHE A 68 -4.303 -6.616 -3.566 1.00 0.00 C ATOM 942 CZ PHE A 68 -3.823 -7.373 -2.485 1.00 0.00 C ATOM 0 H PHE A 68 -0.510 -9.607 -6.488 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.219 -8.700 -7.073 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.630 -7.503 -6.039 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.835 -6.434 -6.729 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.098 -8.781 -3.980 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.997 -6.075 -5.635 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.312 -8.760 -1.805 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.193 -6.015 -3.453 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.341 -7.347 -1.538 1.00 0.00 H new ATOM 951 N GLN A 69 -1.008 -8.771 -9.354 1.00 0.00 N ATOM 952 CA GLN A 69 -0.631 -8.466 -10.737 1.00 0.00 C ATOM 953 C GLN A 69 -0.180 -6.997 -10.853 1.00 0.00 C ATOM 954 O GLN A 69 -0.708 -6.226 -11.653 1.00 0.00 O ATOM 955 CB GLN A 69 -1.770 -8.868 -11.701 1.00 0.00 C ATOM 956 CG GLN A 69 -2.067 -10.386 -11.706 1.00 0.00 C ATOM 957 CD GLN A 69 -2.826 -10.963 -10.503 1.00 0.00 C ATOM 958 OE1 GLN A 69 -2.593 -12.093 -10.091 1.00 0.00 O ATOM 959 NE2 GLN A 69 -3.757 -10.262 -9.882 1.00 0.00 N ATOM 0 H GLN A 69 -0.498 -9.567 -8.972 1.00 0.00 H new ATOM 0 HA GLN A 69 0.231 -9.062 -11.037 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.676 -8.329 -11.424 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.508 -8.554 -12.711 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.639 -10.614 -12.605 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.117 -10.914 -11.790 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.979 -9.317 -10.196 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.254 -10.665 -9.088 1.00 0.00 H new ATOM 966 N VAL A 70 0.752 -6.586 -9.991 1.00 0.00 N ATOM 967 CA VAL A 70 1.276 -5.204 -9.892 1.00 0.00 C ATOM 968 C VAL A 70 1.930 -4.740 -11.213 1.00 0.00 C ATOM 969 O VAL A 70 2.626 -5.496 -11.889 1.00 0.00 O ATOM 970 CB VAL A 70 2.227 -5.090 -8.678 1.00 0.00 C ATOM 971 CG1 VAL A 70 3.152 -3.863 -8.713 1.00 0.00 C ATOM 972 CG2 VAL A 70 1.409 -5.058 -7.382 1.00 0.00 C ATOM 0 H VAL A 70 1.183 -7.219 -9.317 1.00 0.00 H new ATOM 0 HA VAL A 70 0.442 -4.523 -9.726 1.00 0.00 H new ATOM 0 HB VAL A 70 2.871 -5.968 -8.722 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.785 -3.859 -7.826 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.777 -3.904 -9.605 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.550 -2.954 -8.733 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.082 -4.978 -6.529 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.738 -4.199 -7.397 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.825 -5.974 -7.298 1.00 0.00 H new ATOM 982 N LYS A 71 1.706 -3.466 -11.565 1.00 0.00 N ATOM 983 CA LYS A 71 2.204 -2.824 -12.794 1.00 0.00 C ATOM 984 C LYS A 71 3.724 -2.552 -12.781 1.00 0.00 C ATOM 985 O LYS A 71 4.404 -2.839 -13.771 1.00 0.00 O ATOM 986 CB LYS A 71 1.421 -1.510 -13.002 1.00 0.00 C ATOM 987 CG LYS A 71 0.142 -1.602 -13.860 1.00 0.00 C ATOM 988 CD LYS A 71 -0.894 -2.670 -13.462 1.00 0.00 C ATOM 989 CE LYS A 71 -0.663 -3.997 -14.201 1.00 0.00 C ATOM 990 NZ LYS A 71 -1.738 -4.984 -13.926 1.00 0.00 N ATOM 0 H LYS A 71 1.156 -2.832 -10.985 1.00 0.00 H new ATOM 0 HA LYS A 71 2.042 -3.515 -13.621 1.00 0.00 H new ATOM 0 HB2 LYS A 71 1.148 -1.116 -12.023 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.090 -0.783 -13.463 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -0.350 -0.629 -13.840 1.00 0.00 H new ATOM 0 HG3 LYS A 71 0.440 -1.787 -14.892 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.845 -2.840 -12.387 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.897 -2.302 -13.681 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -0.609 -3.810 -15.273 1.00 0.00 H new ATOM 0 HE3 LYS A 71 0.298 -4.416 -13.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.844 -5.618 -14.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.490 -5.542 -13.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.634 -4.484 -13.758 1.00 0.00 H new ATOM 1000 N LEU A 72 4.246 -1.992 -11.685 1.00 0.00 N ATOM 1001 CA LEU A 72 5.659 -1.616 -11.513 1.00 0.00 C ATOM 1002 C LEU A 72 6.253 -2.424 -10.346 1.00 0.00 C ATOM 1003 O LEU A 72 6.304 -3.654 -10.405 1.00 0.00 O ATOM 1004 CB LEU A 72 5.736 -0.069 -11.395 1.00 0.00 C ATOM 1005 CG LEU A 72 7.155 0.531 -11.512 1.00 0.00 C ATOM 1006 CD1 LEU A 72 7.769 0.322 -12.912 1.00 0.00 C ATOM 1007 CD2 LEU A 72 7.110 2.033 -11.211 1.00 0.00 C ATOM 0 H LEU A 72 3.680 -1.779 -10.864 1.00 0.00 H new ATOM 0 HA LEU A 72 6.284 -1.873 -12.368 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.108 0.370 -12.171 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.312 0.228 -10.436 1.00 0.00 H new ATOM 0 HG LEU A 72 7.782 0.011 -10.788 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.766 0.762 -12.941 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.837 -0.745 -13.124 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.139 0.801 -13.661 1.00 0.00 H new ATOM 0 HD21 LEU A 72 8.113 2.451 -11.295 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.450 2.527 -11.924 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.735 2.190 -10.200 1.00 0.00 H new ATOM 1018 N TRP A 73 6.674 -1.741 -9.282 1.00 0.00 N ATOM 1019 CA TRP A 73 7.125 -2.346 -8.034 1.00 0.00 C ATOM 1020 C TRP A 73 6.800 -1.465 -6.815 1.00 0.00 C ATOM 1021 O TRP A 73 6.166 -2.001 -5.906 1.00 0.00 O ATOM 1022 CB TRP A 73 8.614 -2.658 -8.139 1.00 0.00 C ATOM 1023 CG TRP A 73 9.148 -3.547 -7.060 1.00 0.00 C ATOM 1024 CD1 TRP A 73 9.073 -4.896 -7.050 1.00 0.00 C ATOM 1025 CD2 TRP A 73 9.858 -3.174 -5.840 1.00 0.00 C ATOM 1026 NE1 TRP A 73 9.700 -5.380 -5.917 1.00 0.00 N ATOM 1027 CE2 TRP A 73 10.234 -4.368 -5.148 1.00 0.00 C ATOM 1028 CE3 TRP A 73 10.232 -1.944 -5.255 1.00 0.00 C ATOM 1029 CZ2 TRP A 73 10.981 -4.344 -3.957 1.00 0.00 C ATOM 1030 CZ3 TRP A 73 10.954 -1.909 -4.052 1.00 0.00 C ATOM 1031 CH2 TRP A 73 11.358 -3.102 -3.419 1.00 0.00 C ATOM 0 H TRP A 73 6.711 -0.722 -9.266 1.00 0.00 H new ATOM 0 HA TRP A 73 6.582 -3.278 -7.876 1.00 0.00 H new ATOM 0 HB2 TRP A 73 8.805 -3.127 -9.104 1.00 0.00 H new ATOM 0 HB3 TRP A 73 9.169 -1.720 -8.125 1.00 0.00 H new ATOM 0 HD1 TRP A 73 8.598 -5.501 -7.808 1.00 0.00 H new ATOM 0 HE1 TRP A 73 9.760 -6.370 -5.678 1.00 0.00 H new ATOM 0 HE3 TRP A 73 9.959 -1.018 -5.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 11.260 -5.264 -3.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 11.203 -0.957 -3.606 1.00 0.00 H new ATOM 0 HH2 TRP A 73 11.957 -3.061 -2.521 1.00 0.00 H new ATOM 1041 N PRO A 74 7.121 -0.141 -6.787 1.00 0.00 N ATOM 1042 CA PRO A 74 6.555 0.763 -5.802 1.00 0.00 C ATOM 1043 C PRO A 74 5.088 0.996 -6.164 1.00 0.00 C ATOM 1044 O PRO A 74 4.762 1.786 -7.052 1.00 0.00 O ATOM 1045 CB PRO A 74 7.389 2.045 -5.837 1.00 0.00 C ATOM 1046 CG PRO A 74 7.864 2.093 -7.285 1.00 0.00 C ATOM 1047 CD PRO A 74 8.042 0.613 -7.639 1.00 0.00 C ATOM 0 HA PRO A 74 6.582 0.365 -4.787 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.796 2.922 -5.576 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.224 2.005 -5.138 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.134 2.578 -7.933 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.797 2.647 -7.385 1.00 0.00 H new ATOM 0 HD2 PRO A 74 7.824 0.439 -8.693 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.071 0.296 -7.470 1.00 0.00 H new ATOM 1052 N THR A 75 4.198 0.244 -5.517 1.00 0.00 N ATOM 1053 CA THR A 75 2.771 0.170 -5.830 1.00 0.00 C ATOM 1054 C THR A 75 2.047 -0.287 -4.582 1.00 0.00 C ATOM 1055 O THR A 75 2.492 -1.199 -3.885 1.00 0.00 O ATOM 1056 CB THR A 75 2.493 -0.811 -6.977 1.00 0.00 C ATOM 1057 OG1 THR A 75 3.059 -0.310 -8.162 1.00 0.00 O ATOM 1058 CG2 THR A 75 0.997 -1.031 -7.243 1.00 0.00 C ATOM 0 H THR A 75 4.460 -0.352 -4.732 1.00 0.00 H new ATOM 0 HA THR A 75 2.423 1.152 -6.151 1.00 0.00 H new ATOM 0 HB THR A 75 2.929 -1.764 -6.676 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.634 -0.738 -8.934 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.873 -1.735 -8.066 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.523 -1.433 -6.347 1.00 0.00 H new ATOM 0 HG23 THR A 75 0.531 -0.081 -7.505 1.00 0.00 H new ATOM 1066 N PHE A 76 0.898 0.329 -4.333 1.00 0.00 N ATOM 1067 CA PHE A 76 0.064 0.057 -3.177 1.00 0.00 C ATOM 1068 C PHE A 76 -1.414 0.059 -3.578 1.00 0.00 C ATOM 1069 O PHE A 76 -1.902 0.975 -4.241 1.00 0.00 O ATOM 1070 CB PHE A 76 0.389 1.030 -2.032 1.00 0.00 C ATOM 1071 CG PHE A 76 0.850 2.398 -2.455 1.00 0.00 C ATOM 1072 CD1 PHE A 76 2.200 2.617 -2.787 1.00 0.00 C ATOM 1073 CD2 PHE A 76 -0.078 3.438 -2.524 1.00 0.00 C ATOM 1074 CE1 PHE A 76 2.615 3.880 -3.233 1.00 0.00 C ATOM 1075 CE2 PHE A 76 0.347 4.702 -2.934 1.00 0.00 C ATOM 1076 CZ PHE A 76 1.680 4.918 -3.319 1.00 0.00 C ATOM 0 H PHE A 76 0.514 1.048 -4.946 1.00 0.00 H new ATOM 0 HA PHE A 76 0.281 -0.941 -2.796 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -0.499 1.141 -1.410 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.162 0.583 -1.407 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.916 1.813 -2.698 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.112 3.267 -2.263 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.646 4.050 -3.507 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -0.356 5.522 -2.955 1.00 0.00 H new ATOM 0 HZ PHE A 76 1.985 5.888 -3.683 1.00 0.00 H new ATOM 1085 N VAL A 77 -2.098 -1.020 -3.191 1.00 0.00 N ATOM 1086 CA VAL A 77 -3.472 -1.361 -3.577 1.00 0.00 C ATOM 1087 C VAL A 77 -4.408 -1.127 -2.395 1.00 0.00 C ATOM 1088 O VAL A 77 -4.223 -1.704 -1.321 1.00 0.00 O ATOM 1089 CB VAL A 77 -3.563 -2.821 -4.071 1.00 0.00 C ATOM 1090 CG1 VAL A 77 -4.983 -3.156 -4.539 1.00 0.00 C ATOM 1091 CG2 VAL A 77 -2.597 -3.084 -5.242 1.00 0.00 C ATOM 0 H VAL A 77 -1.689 -1.716 -2.568 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.776 -0.717 -4.402 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.290 -3.452 -3.225 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.019 -4.190 -4.882 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.680 -3.024 -3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.262 -2.493 -5.358 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.689 -4.122 -5.563 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.844 -2.424 -6.073 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.574 -2.893 -4.919 1.00 0.00 H new ATOM 1101 N PHE A 78 -5.407 -0.268 -2.600 1.00 0.00 N ATOM 1102 CA PHE A 78 -6.396 0.093 -1.586 1.00 0.00 C ATOM 1103 C PHE A 78 -7.528 -0.943 -1.615 1.00 0.00 C ATOM 1104 O PHE A 78 -8.257 -1.071 -2.603 1.00 0.00 O ATOM 1105 CB PHE A 78 -6.908 1.532 -1.807 1.00 0.00 C ATOM 1106 CG PHE A 78 -5.874 2.656 -1.680 1.00 0.00 C ATOM 1107 CD1 PHE A 78 -4.928 2.840 -2.707 1.00 0.00 C ATOM 1108 CD2 PHE A 78 -5.820 3.505 -0.544 1.00 0.00 C ATOM 1109 CE1 PHE A 78 -3.930 3.815 -2.605 1.00 0.00 C ATOM 1110 CE2 PHE A 78 -4.825 4.506 -0.456 1.00 0.00 C ATOM 1111 CZ PHE A 78 -3.883 4.653 -1.487 1.00 0.00 C ATOM 0 H PHE A 78 -5.553 0.205 -3.492 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.941 0.081 -0.595 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -7.350 1.587 -2.802 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.708 1.723 -1.091 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.974 2.218 -3.588 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.539 3.387 0.253 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.196 3.920 -3.390 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.790 5.158 0.404 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.121 5.415 -1.416 1.00 0.00 H new ATOM 1120 N LEU A 79 -7.674 -1.699 -0.528 1.00 0.00 N ATOM 1121 CA LEU A 79 -8.752 -2.656 -0.294 1.00 0.00 C ATOM 1122 C LEU A 79 -9.770 -2.086 0.709 1.00 0.00 C ATOM 1123 O LEU A 79 -9.428 -1.279 1.574 1.00 0.00 O ATOM 1124 CB LEU A 79 -8.179 -4.001 0.201 1.00 0.00 C ATOM 1125 CG LEU A 79 -7.991 -5.046 -0.904 1.00 0.00 C ATOM 1126 CD1 LEU A 79 -6.994 -4.619 -1.974 1.00 0.00 C ATOM 1127 CD2 LEU A 79 -7.568 -6.386 -0.294 1.00 0.00 C ATOM 0 H LEU A 79 -7.014 -1.659 0.248 1.00 0.00 H new ATOM 0 HA LEU A 79 -9.271 -2.835 -1.236 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.218 -3.819 0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.844 -4.409 0.962 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.955 -5.150 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.908 -5.404 -2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.339 -3.700 -2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.020 -4.447 -1.516 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -7.437 -7.122 -1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.628 -6.261 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.338 -6.730 0.397 1.00 0.00 H new ATOM 1138 N ARG A 80 -11.014 -2.548 0.613 1.00 0.00 N ATOM 1139 CA ARG A 80 -12.138 -2.243 1.513 1.00 0.00 C ATOM 1140 C ARG A 80 -13.264 -3.251 1.256 1.00 0.00 C ATOM 1141 O ARG A 80 -13.506 -3.633 0.113 1.00 0.00 O ATOM 1142 CB ARG A 80 -12.597 -0.780 1.312 1.00 0.00 C ATOM 1143 CG ARG A 80 -13.421 -0.240 2.488 1.00 0.00 C ATOM 1144 CD ARG A 80 -13.655 1.271 2.341 1.00 0.00 C ATOM 1145 NE ARG A 80 -14.329 1.815 3.534 1.00 0.00 N ATOM 1146 CZ ARG A 80 -14.244 3.053 4.005 1.00 0.00 C ATOM 1147 NH1 ARG A 80 -13.517 3.991 3.432 1.00 0.00 N ATOM 1148 NH2 ARG A 80 -14.905 3.378 5.094 1.00 0.00 N ATOM 0 H ARG A 80 -11.287 -3.183 -0.137 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.831 -2.336 2.555 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -11.721 -0.147 1.169 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.190 -0.714 0.400 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -14.379 -0.758 2.535 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -12.902 -0.443 3.425 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -12.702 1.778 2.193 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -14.260 1.465 1.456 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.925 1.170 4.053 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -12.986 3.780 2.587 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -13.485 4.928 3.834 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.478 2.681 5.570 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.845 4.327 5.463 1.00 0.00 H new ATOM 1159 N ASP A 81 -13.912 -3.732 2.313 1.00 0.00 N ATOM 1160 CA ASP A 81 -14.962 -4.772 2.260 1.00 0.00 C ATOM 1161 C ASP A 81 -14.453 -6.121 1.683 1.00 0.00 C ATOM 1162 O ASP A 81 -15.212 -6.908 1.117 1.00 0.00 O ATOM 1163 CB ASP A 81 -16.207 -4.228 1.531 1.00 0.00 C ATOM 1164 CG ASP A 81 -17.491 -5.019 1.845 1.00 0.00 C ATOM 1165 OD1 ASP A 81 -17.780 -5.252 3.042 1.00 0.00 O ATOM 1166 OD2 ASP A 81 -18.235 -5.367 0.894 1.00 0.00 O ATOM 0 H ASP A 81 -13.724 -3.407 3.261 1.00 0.00 H new ATOM 0 HA ASP A 81 -15.253 -5.009 3.283 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -16.355 -3.184 1.808 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -16.029 -4.250 0.456 1.00 0.00 H new ATOM 1170 N GLY A 82 -13.134 -6.356 1.776 1.00 0.00 N ATOM 1171 CA GLY A 82 -12.440 -7.538 1.237 1.00 0.00 C ATOM 1172 C GLY A 82 -12.076 -7.457 -0.253 1.00 0.00 C ATOM 1173 O GLY A 82 -11.479 -8.399 -0.773 1.00 0.00 O ATOM 0 H GLY A 82 -12.500 -5.708 2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.526 -7.696 1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.070 -8.413 1.394 1.00 0.00 H new ATOM 1177 N ARG A 83 -12.422 -6.357 -0.934 1.00 0.00 N ATOM 1178 CA ARG A 83 -12.260 -6.147 -2.373 1.00 0.00 C ATOM 1179 C ARG A 83 -11.356 -4.940 -2.655 1.00 0.00 C ATOM 1180 O ARG A 83 -11.342 -3.973 -1.894 1.00 0.00 O ATOM 1181 CB ARG A 83 -13.667 -5.957 -2.966 1.00 0.00 C ATOM 1182 CG ARG A 83 -13.691 -5.924 -4.497 1.00 0.00 C ATOM 1183 CD ARG A 83 -15.126 -5.877 -5.041 1.00 0.00 C ATOM 1184 NE ARG A 83 -15.131 -5.858 -6.512 1.00 0.00 N ATOM 1185 CZ ARG A 83 -16.207 -5.866 -7.291 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -17.428 -5.884 -6.792 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -16.071 -5.854 -8.600 1.00 0.00 N ATOM 0 H ARG A 83 -12.843 -5.552 -0.471 1.00 0.00 H new ATOM 0 HA ARG A 83 -11.772 -7.005 -2.836 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.310 -6.766 -2.619 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -14.090 -5.027 -2.585 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -13.139 -5.053 -4.851 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -13.182 -6.805 -4.888 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -15.683 -6.743 -4.683 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -15.634 -4.991 -4.660 1.00 0.00 H new ATOM 0 HE ARG A 83 -14.224 -5.837 -6.977 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -17.566 -5.892 -5.781 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -18.234 -5.890 -7.417 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.140 -5.839 -9.016 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.897 -5.860 -9.199 1.00 0.00 H new ATOM 1198 N GLU A 84 -10.597 -4.966 -3.745 1.00 0.00 N ATOM 1199 CA GLU A 84 -9.847 -3.802 -4.232 1.00 0.00 C ATOM 1200 C GLU A 84 -10.811 -2.684 -4.655 1.00 0.00 C ATOM 1201 O GLU A 84 -11.676 -2.894 -5.504 1.00 0.00 O ATOM 1202 CB GLU A 84 -8.877 -4.197 -5.359 1.00 0.00 C ATOM 1203 CG GLU A 84 -8.216 -3.000 -6.062 1.00 0.00 C ATOM 1204 CD GLU A 84 -7.214 -3.392 -7.163 1.00 0.00 C ATOM 1205 OE1 GLU A 84 -6.890 -4.593 -7.326 1.00 0.00 O ATOM 1206 OE2 GLU A 84 -6.728 -2.491 -7.891 1.00 0.00 O ATOM 0 H GLU A 84 -10.481 -5.798 -4.323 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.235 -3.415 -3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.098 -4.838 -4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.417 -4.787 -6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.994 -2.375 -6.500 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.701 -2.394 -5.317 1.00 0.00 H new ATOM 1211 N VAL A 85 -10.657 -1.499 -4.059 1.00 0.00 N ATOM 1212 CA VAL A 85 -11.405 -0.278 -4.403 1.00 0.00 C ATOM 1213 C VAL A 85 -10.607 0.646 -5.330 1.00 0.00 C ATOM 1214 O VAL A 85 -11.207 1.421 -6.072 1.00 0.00 O ATOM 1215 CB VAL A 85 -11.853 0.502 -3.148 1.00 0.00 C ATOM 1216 CG1 VAL A 85 -12.978 -0.265 -2.441 1.00 0.00 C ATOM 1217 CG2 VAL A 85 -10.719 0.765 -2.138 1.00 0.00 C ATOM 0 H VAL A 85 -9.990 -1.354 -3.301 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.295 -0.614 -4.935 1.00 0.00 H new ATOM 0 HB VAL A 85 -12.194 1.475 -3.502 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -13.293 0.286 -1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -13.824 -0.377 -3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.617 -1.250 -2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.113 1.317 -1.285 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.308 -0.185 -1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.933 1.349 -2.617 1.00 0.00 H new ATOM 1227 N ALA A 86 -9.275 0.531 -5.327 1.00 0.00 N ATOM 1228 CA ALA A 86 -8.328 1.316 -6.120 1.00 0.00 C ATOM 1229 C ALA A 86 -6.906 0.769 -5.959 1.00 0.00 C ATOM 1230 O ALA A 86 -6.646 -0.077 -5.103 1.00 0.00 O ATOM 1231 CB ALA A 86 -8.363 2.773 -5.640 1.00 0.00 C ATOM 0 H ALA A 86 -8.803 -0.153 -4.736 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.611 1.255 -7.171 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.660 3.366 -6.225 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -9.369 3.174 -5.766 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.085 2.816 -4.587 1.00 0.00 H new ATOM 1237 N ARG A 87 -5.961 1.374 -6.678 1.00 0.00 N ATOM 1238 CA ARG A 87 -4.533 1.279 -6.385 1.00 0.00 C ATOM 1239 C ARG A 87 -3.778 2.500 -6.913 1.00 0.00 C ATOM 1240 O ARG A 87 -4.231 3.158 -7.853 1.00 0.00 O ATOM 1241 CB ARG A 87 -3.966 -0.038 -6.917 1.00 0.00 C ATOM 1242 CG ARG A 87 -3.976 -0.170 -8.442 1.00 0.00 C ATOM 1243 CD ARG A 87 -3.210 -1.430 -8.833 1.00 0.00 C ATOM 1244 NE ARG A 87 -4.000 -2.654 -8.618 1.00 0.00 N ATOM 1245 CZ ARG A 87 -3.587 -3.901 -8.808 1.00 0.00 C ATOM 1246 NH1 ARG A 87 -2.386 -4.195 -9.268 1.00 0.00 N ATOM 1247 NH2 ARG A 87 -4.388 -4.908 -8.542 1.00 0.00 N ATOM 0 H ARG A 87 -6.170 1.952 -7.492 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.396 1.276 -5.304 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.941 -0.145 -6.564 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.538 -0.862 -6.491 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.001 -0.223 -8.809 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.518 0.707 -8.899 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.921 -1.366 -9.882 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -2.289 -1.488 -8.252 1.00 0.00 H new ATOM 0 HE ARG A 87 -4.958 -2.532 -8.291 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.730 -3.448 -9.494 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.114 -5.169 -9.397 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -5.329 -4.732 -8.189 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -4.069 -5.866 -8.689 1.00 0.00 H new ATOM 1258 N VAL A 88 -2.623 2.785 -6.319 1.00 0.00 N ATOM 1259 CA VAL A 88 -1.704 3.843 -6.770 1.00 0.00 C ATOM 1260 C VAL A 88 -0.374 3.181 -7.147 1.00 0.00 C ATOM 1261 O VAL A 88 0.206 2.439 -6.358 1.00 0.00 O ATOM 1262 CB VAL A 88 -1.511 4.907 -5.672 1.00 0.00 C ATOM 1263 CG1 VAL A 88 -0.367 5.891 -5.986 1.00 0.00 C ATOM 1264 CG2 VAL A 88 -2.776 5.729 -5.372 1.00 0.00 C ATOM 0 H VAL A 88 -2.287 2.283 -5.497 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.117 4.359 -7.637 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.260 4.317 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.279 6.617 -5.177 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.569 5.341 -6.084 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.581 6.412 -6.919 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.560 6.456 -4.589 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.093 6.251 -6.275 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.572 5.063 -5.039 1.00 0.00 H new ATOM 1274 N VAL A 89 0.087 3.455 -8.370 1.00 0.00 N ATOM 1275 CA VAL A 89 1.350 2.972 -8.946 1.00 0.00 C ATOM 1276 C VAL A 89 2.275 4.183 -9.113 1.00 0.00 C ATOM 1277 O VAL A 89 1.856 5.176 -9.709 1.00 0.00 O ATOM 1278 CB VAL A 89 1.105 2.312 -10.328 1.00 0.00 C ATOM 1279 CG1 VAL A 89 2.406 1.872 -11.028 1.00 0.00 C ATOM 1280 CG2 VAL A 89 0.160 1.101 -10.248 1.00 0.00 C ATOM 0 H VAL A 89 -0.433 4.047 -9.018 1.00 0.00 H new ATOM 0 HA VAL A 89 1.796 2.225 -8.290 1.00 0.00 H new ATOM 0 HB VAL A 89 0.635 3.097 -10.921 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.166 1.418 -11.989 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.046 2.740 -11.186 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.927 1.146 -10.404 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.024 0.679 -11.244 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.590 0.347 -9.590 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -0.805 1.418 -9.854 1.00 0.00 H new ATOM 1290 N ARG A 90 3.515 4.095 -8.604 1.00 0.00 N ATOM 1291 CA ARG A 90 4.580 5.101 -8.755 1.00 0.00 C ATOM 1292 C ARG A 90 4.121 6.531 -8.331 1.00 0.00 C ATOM 1293 O ARG A 90 3.803 7.346 -9.206 1.00 0.00 O ATOM 1294 CB ARG A 90 5.114 5.052 -10.201 1.00 0.00 C ATOM 1295 CG ARG A 90 6.466 5.775 -10.330 1.00 0.00 C ATOM 1296 CD ARG A 90 6.936 5.842 -11.787 1.00 0.00 C ATOM 1297 NE ARG A 90 8.220 6.558 -11.897 1.00 0.00 N ATOM 1298 CZ ARG A 90 8.804 6.977 -13.014 1.00 0.00 C ATOM 1299 NH1 ARG A 90 8.268 6.766 -14.201 1.00 0.00 N ATOM 1300 NH2 ARG A 90 9.953 7.617 -12.956 1.00 0.00 N ATOM 0 H ARG A 90 3.815 3.290 -8.055 1.00 0.00 H new ATOM 0 HA ARG A 90 5.394 4.857 -8.072 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.225 4.014 -10.514 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.389 5.512 -10.873 1.00 0.00 H new ATOM 0 HG2 ARG A 90 6.378 6.785 -9.929 1.00 0.00 H new ATOM 0 HG3 ARG A 90 7.214 5.257 -9.730 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.043 4.833 -12.185 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.182 6.345 -12.393 1.00 0.00 H new ATOM 0 HE ARG A 90 8.711 6.752 -11.024 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.381 6.269 -14.279 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.741 7.100 -15.041 1.00 0.00 H new ATOM 0 HH21 ARG A 90 10.395 7.791 -12.053 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.401 7.939 -13.814 1.00 0.00 H new ATOM 1311 N PRO A 91 4.042 6.849 -7.022 1.00 0.00 N ATOM 1312 CA PRO A 91 3.531 8.135 -6.542 1.00 0.00 C ATOM 1313 C PRO A 91 4.433 9.289 -7.007 1.00 0.00 C ATOM 1314 O PRO A 91 5.617 9.327 -6.670 1.00 0.00 O ATOM 1315 CB PRO A 91 3.493 8.026 -5.021 1.00 0.00 C ATOM 1316 CG PRO A 91 4.538 6.963 -4.693 1.00 0.00 C ATOM 1317 CD PRO A 91 4.447 6.016 -5.896 1.00 0.00 C ATOM 0 HA PRO A 91 2.540 8.351 -6.941 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.732 8.978 -4.548 1.00 0.00 H new ATOM 0 HB3 PRO A 91 2.504 7.734 -4.668 1.00 0.00 H new ATOM 0 HG2 PRO A 91 5.534 7.393 -4.591 1.00 0.00 H new ATOM 0 HG3 PRO A 91 4.314 6.451 -3.757 1.00 0.00 H new ATOM 0 HD2 PRO A 91 5.406 5.535 -6.089 1.00 0.00 H new ATOM 0 HD3 PRO A 91 3.723 5.222 -5.716 1.00 0.00 H new ATOM 1322 N GLY A 92 3.876 10.235 -7.777 1.00 0.00 N ATOM 1323 CA GLY A 92 4.634 11.340 -8.387 1.00 0.00 C ATOM 1324 C GLY A 92 4.871 12.516 -7.434 1.00 0.00 C ATOM 1325 O GLY A 92 5.884 13.202 -7.540 1.00 0.00 O ATOM 0 H GLY A 92 2.880 10.256 -7.996 1.00 0.00 H new ATOM 0 HA2 GLY A 92 5.596 10.963 -8.733 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.097 11.697 -9.266 1.00 0.00 H new ATOM 1329 N SER A 93 3.962 12.725 -6.484 1.00 0.00 N ATOM 1330 CA SER A 93 4.003 13.731 -5.414 1.00 0.00 C ATOM 1331 C SER A 93 2.827 13.501 -4.461 1.00 0.00 C ATOM 1332 O SER A 93 1.852 12.823 -4.810 1.00 0.00 O ATOM 1333 CB SER A 93 3.958 15.165 -5.973 1.00 0.00 C ATOM 1334 OG SER A 93 4.215 16.122 -4.955 1.00 0.00 O ATOM 0 H SER A 93 3.116 12.158 -6.434 1.00 0.00 H new ATOM 0 HA SER A 93 4.946 13.621 -4.878 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.695 15.271 -6.769 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.980 15.355 -6.416 1.00 0.00 H new ATOM 0 HG SER A 93 4.182 17.024 -5.338 1.00 0.00 H new ATOM 1339 N ALA A 94 2.888 14.078 -3.256 1.00 0.00 N ATOM 1340 CA ALA A 94 1.842 13.972 -2.238 1.00 0.00 C ATOM 1341 C ALA A 94 0.471 14.400 -2.769 1.00 0.00 C ATOM 1342 O ALA A 94 -0.529 13.779 -2.432 1.00 0.00 O ATOM 1343 CB ALA A 94 2.281 14.809 -1.031 1.00 0.00 C ATOM 0 H ALA A 94 3.683 14.643 -2.957 1.00 0.00 H new ATOM 0 HA ALA A 94 1.719 12.930 -1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 94 1.521 14.751 -0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.225 14.425 -0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 94 2.409 15.848 -1.336 1.00 0.00 H new ATOM 1349 N SER A 95 0.416 15.360 -3.692 1.00 0.00 N ATOM 1350 CA SER A 95 -0.822 15.761 -4.369 1.00 0.00 C ATOM 1351 C SER A 95 -1.520 14.612 -5.122 1.00 0.00 C ATOM 1352 O SER A 95 -2.746 14.621 -5.225 1.00 0.00 O ATOM 1353 CB SER A 95 -0.514 16.904 -5.348 1.00 0.00 C ATOM 1354 OG SER A 95 0.524 16.545 -6.249 1.00 0.00 O ATOM 0 H SER A 95 1.235 15.887 -3.995 1.00 0.00 H new ATOM 0 HA SER A 95 -1.514 16.083 -3.591 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.414 17.158 -5.909 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.223 17.795 -4.791 1.00 0.00 H new ATOM 0 HG SER A 95 0.698 17.290 -6.861 1.00 0.00 H new ATOM 1359 N VAL A 96 -0.779 13.604 -5.602 1.00 0.00 N ATOM 1360 CA VAL A 96 -1.317 12.410 -6.280 1.00 0.00 C ATOM 1361 C VAL A 96 -1.683 11.327 -5.259 1.00 0.00 C ATOM 1362 O VAL A 96 -2.717 10.672 -5.396 1.00 0.00 O ATOM 1363 CB VAL A 96 -0.292 11.854 -7.302 1.00 0.00 C ATOM 1364 CG1 VAL A 96 -0.828 10.624 -8.047 1.00 0.00 C ATOM 1365 CG2 VAL A 96 0.106 12.908 -8.347 1.00 0.00 C ATOM 0 H VAL A 96 0.238 13.593 -5.529 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.220 12.703 -6.816 1.00 0.00 H new ATOM 0 HB VAL A 96 0.581 11.572 -6.714 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.076 10.269 -8.752 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.054 9.835 -7.330 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -1.735 10.893 -8.589 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.825 12.477 -9.043 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.780 13.231 -8.894 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.555 13.765 -7.846 1.00 0.00 H new ATOM 1375 N LEU A 97 -0.861 11.141 -4.217 1.00 0.00 N ATOM 1376 CA LEU A 97 -1.101 10.144 -3.178 1.00 0.00 C ATOM 1377 C LEU A 97 -2.290 10.533 -2.284 1.00 0.00 C ATOM 1378 O LEU A 97 -3.215 9.741 -2.125 1.00 0.00 O ATOM 1379 CB LEU A 97 0.206 9.897 -2.392 1.00 0.00 C ATOM 1380 CG LEU A 97 0.576 8.394 -2.357 1.00 0.00 C ATOM 1381 CD1 LEU A 97 1.907 8.184 -1.641 1.00 0.00 C ATOM 1382 CD2 LEU A 97 -0.558 7.633 -1.678 1.00 0.00 C ATOM 0 H LEU A 97 -0.009 11.683 -4.075 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.390 9.199 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.018 10.461 -2.850 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.094 10.268 -1.373 1.00 0.00 H new ATOM 0 HG LEU A 97 0.701 8.014 -3.371 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.149 7.121 -1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.692 8.728 -2.166 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.832 8.552 -0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.315 6.571 -1.644 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.691 8.007 -0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.480 7.776 -2.241 1.00 0.00 H new ATOM 1393 N GLU A 98 -2.322 11.770 -1.783 1.00 0.00 N ATOM 1394 CA GLU A 98 -3.437 12.332 -1.014 1.00 0.00 C ATOM 1395 C GLU A 98 -4.765 12.309 -1.782 1.00 0.00 C ATOM 1396 O GLU A 98 -5.794 11.980 -1.189 1.00 0.00 O ATOM 1397 CB GLU A 98 -3.131 13.779 -0.579 1.00 0.00 C ATOM 1398 CG GLU A 98 -1.987 13.913 0.433 1.00 0.00 C ATOM 1399 CD GLU A 98 -1.827 15.378 0.872 1.00 0.00 C ATOM 1400 OE1 GLU A 98 -2.484 15.795 1.853 1.00 0.00 O ATOM 1401 OE2 GLU A 98 -1.039 16.124 0.245 1.00 0.00 O ATOM 0 H GLU A 98 -1.552 12.428 -1.904 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.547 11.694 -0.137 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.886 14.366 -1.464 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.033 14.213 -0.148 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -2.187 13.286 1.302 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -1.057 13.556 -0.010 1.00 0.00 H new ATOM 1406 N GLU A 99 -4.748 12.619 -3.089 1.00 0.00 N ATOM 1407 CA GLU A 99 -5.917 12.583 -3.983 1.00 0.00 C ATOM 1408 C GLU A 99 -6.571 11.198 -4.037 1.00 0.00 C ATOM 1409 O GLU A 99 -7.794 11.085 -4.159 1.00 0.00 O ATOM 1410 CB GLU A 99 -5.492 13.015 -5.398 1.00 0.00 C ATOM 1411 CG GLU A 99 -6.550 12.764 -6.483 1.00 0.00 C ATOM 1412 CD GLU A 99 -6.257 13.579 -7.753 1.00 0.00 C ATOM 1413 OE1 GLU A 99 -6.717 14.744 -7.851 1.00 0.00 O ATOM 1414 OE2 GLU A 99 -5.578 13.053 -8.670 1.00 0.00 O ATOM 0 H GLU A 99 -3.895 12.910 -3.567 1.00 0.00 H new ATOM 0 HA GLU A 99 -6.659 13.273 -3.583 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -5.250 14.078 -5.383 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -4.579 12.484 -5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.576 11.702 -6.728 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.536 13.027 -6.100 1.00 0.00 H new ATOM 1419 N ALA A 100 -5.774 10.135 -3.940 1.00 0.00 N ATOM 1420 CA ALA A 100 -6.294 8.784 -3.812 1.00 0.00 C ATOM 1421 C ALA A 100 -6.759 8.495 -2.382 1.00 0.00 C ATOM 1422 O ALA A 100 -7.888 8.049 -2.197 1.00 0.00 O ATOM 1423 CB ALA A 100 -5.220 7.817 -4.306 1.00 0.00 C ATOM 0 H ALA A 100 -4.756 10.190 -3.948 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.185 8.657 -4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -5.585 6.793 -4.221 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.987 8.034 -5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -4.320 7.933 -3.702 1.00 0.00 H new ATOM 1429 N PHE A 101 -5.967 8.810 -1.351 1.00 0.00 N ATOM 1430 CA PHE A 101 -6.322 8.518 0.042 1.00 0.00 C ATOM 1431 C PHE A 101 -7.691 9.108 0.424 1.00 0.00 C ATOM 1432 O PHE A 101 -8.545 8.371 0.909 1.00 0.00 O ATOM 1433 CB PHE A 101 -5.221 9.034 0.969 1.00 0.00 C ATOM 1434 CG PHE A 101 -4.234 7.960 1.398 1.00 0.00 C ATOM 1435 CD1 PHE A 101 -3.280 7.445 0.499 1.00 0.00 C ATOM 1436 CD2 PHE A 101 -4.272 7.464 2.717 1.00 0.00 C ATOM 1437 CE1 PHE A 101 -2.351 6.487 0.935 1.00 0.00 C ATOM 1438 CE2 PHE A 101 -3.348 6.500 3.150 1.00 0.00 C ATOM 1439 CZ PHE A 101 -2.376 6.022 2.255 1.00 0.00 C ATOM 0 H PHE A 101 -5.065 9.273 -1.458 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.407 7.437 0.154 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -4.678 9.834 0.465 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -5.680 9.470 1.857 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -3.263 7.787 -0.525 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -5.021 7.830 3.403 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -1.611 6.106 0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -3.384 6.129 4.163 1.00 0.00 H new ATOM 0 HZ PHE A 101 -1.648 5.296 2.586 1.00 0.00 H new ATOM 1448 N GLU A 102 -7.931 10.385 0.132 1.00 0.00 N ATOM 1449 CA GLU A 102 -9.228 11.040 0.364 1.00 0.00 C ATOM 1450 C GLU A 102 -10.391 10.362 -0.374 1.00 0.00 C ATOM 1451 O GLU A 102 -11.514 10.311 0.140 1.00 0.00 O ATOM 1452 CB GLU A 102 -9.192 12.534 -0.008 1.00 0.00 C ATOM 1453 CG GLU A 102 -8.787 12.871 -1.449 1.00 0.00 C ATOM 1454 CD GLU A 102 -9.939 13.433 -2.291 1.00 0.00 C ATOM 1455 OE1 GLU A 102 -10.779 12.654 -2.794 1.00 0.00 O ATOM 1456 OE2 GLU A 102 -10.029 14.679 -2.429 1.00 0.00 O ATOM 0 H GLU A 102 -7.229 11.003 -0.275 1.00 0.00 H new ATOM 0 HA GLU A 102 -9.407 10.939 1.434 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -10.180 12.955 0.176 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -8.500 13.037 0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -7.974 13.596 -1.430 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.401 11.972 -1.929 1.00 0.00 H new ATOM 1461 N SER A 103 -10.124 9.800 -1.552 1.00 0.00 N ATOM 1462 CA SER A 103 -11.136 9.152 -2.385 1.00 0.00 C ATOM 1463 C SER A 103 -11.469 7.730 -1.902 1.00 0.00 C ATOM 1464 O SER A 103 -12.566 7.244 -2.175 1.00 0.00 O ATOM 1465 CB SER A 103 -10.668 9.111 -3.848 1.00 0.00 C ATOM 1466 OG SER A 103 -11.732 8.780 -4.734 1.00 0.00 O ATOM 0 H SER A 103 -9.189 9.782 -1.959 1.00 0.00 H new ATOM 0 HA SER A 103 -12.047 9.745 -2.305 1.00 0.00 H new ATOM 0 HB2 SER A 103 -10.253 10.080 -4.124 1.00 0.00 H new ATOM 0 HB3 SER A 103 -9.867 8.380 -3.953 1.00 0.00 H new ATOM 0 HG SER A 103 -11.398 8.765 -5.655 1.00 0.00 H new ATOM 1471 N LEU A 104 -10.556 7.066 -1.167 1.00 0.00 N ATOM 1472 CA LEU A 104 -10.747 5.695 -0.664 1.00 0.00 C ATOM 1473 C LEU A 104 -11.061 5.639 0.837 1.00 0.00 C ATOM 1474 O LEU A 104 -11.719 4.700 1.285 1.00 0.00 O ATOM 1475 CB LEU A 104 -9.530 4.814 -1.017 1.00 0.00 C ATOM 1476 CG LEU A 104 -9.391 4.386 -2.497 1.00 0.00 C ATOM 1477 CD1 LEU A 104 -10.736 4.095 -3.176 1.00 0.00 C ATOM 1478 CD2 LEU A 104 -8.621 5.406 -3.338 1.00 0.00 C ATOM 0 H LEU A 104 -9.658 7.471 -0.904 1.00 0.00 H new ATOM 0 HA LEU A 104 -11.628 5.296 -1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.626 5.352 -0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.572 3.913 -0.404 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.821 3.458 -2.453 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -10.565 3.801 -4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -11.243 3.287 -2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -11.357 4.990 -3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.555 5.053 -4.367 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -9.142 6.363 -3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.617 5.529 -2.931 1.00 0.00 H new ATOM 1489 N VAL A 105 -10.645 6.646 1.602 1.00 0.00 N ATOM 1490 CA VAL A 105 -10.978 6.791 3.024 1.00 0.00 C ATOM 1491 C VAL A 105 -12.451 7.197 3.209 1.00 0.00 C ATOM 1492 O VAL A 105 -13.072 6.825 4.205 1.00 0.00 O ATOM 1493 CB VAL A 105 -10.026 7.801 3.713 1.00 0.00 C ATOM 1494 CG1 VAL A 105 -10.452 9.260 3.509 1.00 0.00 C ATOM 1495 CG2 VAL A 105 -9.905 7.507 5.204 1.00 0.00 C ATOM 0 H VAL A 105 -10.056 7.400 1.248 1.00 0.00 H new ATOM 0 HA VAL A 105 -10.841 5.822 3.503 1.00 0.00 H new ATOM 0 HB VAL A 105 -9.055 7.673 3.235 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -9.746 9.919 4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -10.464 9.490 2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -11.449 9.409 3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.231 8.230 5.664 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -10.888 7.579 5.670 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.509 6.501 5.346 1.00 0.00 H new ATOM 1505 N GLY A 106 -13.019 7.924 2.232 1.00 0.00 N ATOM 1506 CA GLY A 106 -14.416 8.375 2.217 1.00 0.00 C ATOM 1507 C GLY A 106 -14.634 9.872 2.475 1.00 0.00 C ATOM 1508 O GLY A 106 -15.786 10.297 2.575 1.00 0.00 O ATOM 0 H GLY A 106 -12.500 8.222 1.406 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -14.849 8.125 1.248 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -14.969 7.811 2.968 1.00 0.00 H new ATOM 1512 N GLU A 107 -13.566 10.665 2.583 1.00 0.00 N ATOM 1513 CA GLU A 107 -13.633 12.089 2.952 1.00 0.00 C ATOM 1514 C GLU A 107 -13.811 13.025 1.746 1.00 0.00 C ATOM 1515 O GLU A 107 -14.391 14.105 1.891 1.00 0.00 O ATOM 1516 CB GLU A 107 -12.346 12.475 3.710 1.00 0.00 C ATOM 1517 CG GLU A 107 -12.346 11.997 5.170 1.00 0.00 C ATOM 1518 CD GLU A 107 -13.303 12.817 6.052 1.00 0.00 C ATOM 1519 OE1 GLU A 107 -12.959 13.960 6.435 1.00 0.00 O ATOM 1520 OE2 GLU A 107 -14.406 12.317 6.379 1.00 0.00 O ATOM 0 H GLU A 107 -12.615 10.336 2.415 1.00 0.00 H new ATOM 0 HA GLU A 107 -14.515 12.213 3.580 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -11.485 12.050 3.194 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -12.228 13.558 3.688 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -12.633 10.946 5.206 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -11.335 12.066 5.573 1.00 0.00 H new ATOM 1525 N GLY A 108 -13.313 12.630 0.569 1.00 0.00 N ATOM 1526 CA GLY A 108 -13.317 13.427 -0.662 1.00 0.00 C ATOM 1527 C GLY A 108 -14.181 12.818 -1.767 1.00 0.00 C ATOM 1528 O GLY A 108 -15.391 12.683 -1.601 1.00 0.00 O ATOM 0 H GLY A 108 -12.881 11.715 0.443 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -13.679 14.430 -0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.294 13.531 -1.024 1.00 0.00 H new