USER MOD reduce.3.24.130724 H: found=0, std=0, add=692, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 693 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 73 GLN : amide:sc= -1.44! C(o=-1.4!,f=-1.5!) USER MOD Set 1.2: A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= -0.642 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 140:sc= -0.733 (180deg=-2.81!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.234 K(o=-0.23,f=-3.5!) USER MOD Single : A 35 ASN : amide:sc= -0.206 X(o=-0.21,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -0.0985 X(o=-0.099,f=-0.0037) USER MOD Single : A 37 CYS SG : rot 17:sc= -1.62! USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -19.3! C(o=-19!,f=-34!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.603 X(o=-0.6,f=-0.7) USER MOD Single : A 57 GLN : amide:sc= -0.214 K(o=-0.21,f=-2.5!) USER MOD Single : A 61 MET CE :methyl -152:sc= -0.0312 (180deg=-0.57) USER MOD Single : A 63 SER OG : rot -145:sc= 0.418 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.0108 X(o=-0.011,f=-0.015) USER MOD Single : A 89 ASN : amide:sc=-0.00656 X(o=-0.0066,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= -0.61 USER MOD Single : A 99 TYR OH : rot 180:sc= -0.112 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -6.838 -1.185 5.396 1.00 0.00 N ATOM 67 CA LEU A 8 -6.521 -2.092 4.306 1.00 0.00 C ATOM 68 C LEU A 8 -7.588 -1.967 3.217 1.00 0.00 C ATOM 69 O LEU A 8 -7.267 -1.770 2.047 1.00 0.00 O ATOM 70 CB LEU A 8 -6.341 -3.518 4.831 1.00 0.00 C ATOM 71 CG LEU A 8 -5.451 -3.671 6.066 1.00 0.00 C ATOM 72 CD1 LEU A 8 -5.444 -5.119 6.560 1.00 0.00 C ATOM 73 CD2 LEU A 8 -4.038 -3.152 5.791 1.00 0.00 C ATOM 0 HA LEU A 8 -5.568 -1.822 3.851 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.325 -3.925 5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.925 -4.129 4.030 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.868 -3.060 6.866 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.804 -5.201 7.439 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.459 -5.419 6.821 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.064 -5.770 5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.426 -3.272 6.685 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.596 -3.717 4.970 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.084 -2.097 5.522 1.00 0.00 H new ATOM 85 N GLY A 9 -8.838 -2.088 3.642 1.00 0.00 N ATOM 86 CA GLY A 9 -9.955 -1.991 2.718 1.00 0.00 C ATOM 87 C GLY A 9 -9.780 -0.804 1.768 1.00 0.00 C ATOM 88 O GLY A 9 -9.567 -0.989 0.571 1.00 0.00 O ATOM 0 H GLY A 9 -9.101 -2.252 4.614 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -10.036 -2.913 2.142 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.885 -1.881 3.276 1.00 0.00 H new ATOM 92 N ALA A 10 -9.876 0.388 2.338 1.00 0.00 N ATOM 93 CA ALA A 10 -9.730 1.605 1.558 1.00 0.00 C ATOM 94 C ALA A 10 -8.527 1.465 0.623 1.00 0.00 C ATOM 95 O ALA A 10 -8.638 1.707 -0.578 1.00 0.00 O ATOM 96 CB ALA A 10 -9.601 2.804 2.500 1.00 0.00 C ATOM 0 H ALA A 10 -10.053 0.537 3.331 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.611 1.772 0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.491 3.717 1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.494 2.876 3.121 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -8.726 2.674 3.136 1.00 0.00 H new ATOM 102 N LEU A 11 -7.405 1.076 1.209 1.00 0.00 N ATOM 103 CA LEU A 11 -6.182 0.902 0.444 1.00 0.00 C ATOM 104 C LEU A 11 -6.444 -0.063 -0.714 1.00 0.00 C ATOM 105 O LEU A 11 -6.221 0.280 -1.874 1.00 0.00 O ATOM 106 CB LEU A 11 -5.035 0.467 1.359 1.00 0.00 C ATOM 107 CG LEU A 11 -4.300 -0.811 0.952 1.00 0.00 C ATOM 108 CD1 LEU A 11 -3.743 -0.696 -0.469 1.00 0.00 C ATOM 109 CD2 LEU A 11 -3.211 -1.165 1.967 1.00 0.00 C ATOM 0 H LEU A 11 -7.317 0.876 2.205 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.868 1.850 0.006 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.310 1.279 1.410 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.431 0.330 2.365 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.018 -1.631 0.951 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.225 -1.618 -0.733 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.562 -0.527 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.044 0.139 -0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.704 -2.078 1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.489 -0.351 2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.663 -1.319 2.947 1.00 0.00 H new ATOM 121 N TYR A 12 -6.913 -1.250 -0.359 1.00 0.00 N ATOM 122 CA TYR A 12 -7.207 -2.267 -1.355 1.00 0.00 C ATOM 123 C TYR A 12 -8.109 -1.709 -2.458 1.00 0.00 C ATOM 124 O TYR A 12 -7.926 -2.024 -3.633 1.00 0.00 O ATOM 125 CB TYR A 12 -7.955 -3.378 -0.615 1.00 0.00 C ATOM 126 CG TYR A 12 -8.460 -4.500 -1.524 1.00 0.00 C ATOM 127 CD1 TYR A 12 -7.579 -5.170 -2.348 1.00 0.00 C ATOM 128 CD2 TYR A 12 -9.797 -4.842 -1.519 1.00 0.00 C ATOM 129 CE1 TYR A 12 -8.055 -6.226 -3.204 1.00 0.00 C ATOM 130 CE2 TYR A 12 -10.272 -5.899 -2.375 1.00 0.00 C ATOM 131 CZ TYR A 12 -9.378 -6.538 -3.175 1.00 0.00 C ATOM 132 OH TYR A 12 -9.827 -7.536 -3.983 1.00 0.00 O ATOM 0 H TYR A 12 -7.097 -1.531 0.604 1.00 0.00 H new ATOM 0 HA TYR A 12 -6.289 -2.621 -1.824 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -7.295 -3.805 0.140 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -8.803 -2.942 -0.088 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -6.533 -4.903 -2.351 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -10.487 -4.318 -0.874 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -7.376 -6.758 -3.854 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -11.315 -6.178 -2.381 1.00 0.00 H new ATOM 0 HH TYR A 12 -10.792 -7.650 -3.856 1.00 0.00 H new ATOM 142 N LEU A 13 -9.063 -0.890 -2.040 1.00 0.00 N ATOM 143 CA LEU A 13 -9.994 -0.285 -2.978 1.00 0.00 C ATOM 144 C LEU A 13 -9.212 0.523 -4.016 1.00 0.00 C ATOM 145 O LEU A 13 -9.460 0.405 -5.215 1.00 0.00 O ATOM 146 CB LEU A 13 -11.051 0.531 -2.232 1.00 0.00 C ATOM 147 CG LEU A 13 -12.030 -0.268 -1.369 1.00 0.00 C ATOM 148 CD1 LEU A 13 -12.769 0.645 -0.390 1.00 0.00 C ATOM 149 CD2 LEU A 13 -12.994 -1.077 -2.239 1.00 0.00 C ATOM 0 H LEU A 13 -9.211 -0.631 -1.065 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.543 -1.055 -3.520 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -10.541 1.253 -1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -11.624 1.101 -2.963 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.458 -0.981 -0.775 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -13.458 0.052 0.211 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.048 1.137 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -13.328 1.398 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -13.679 -1.635 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -13.563 -0.401 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.428 -1.772 -2.860 1.00 0.00 H new ATOM 161 N SER A 14 -8.284 1.327 -3.517 1.00 0.00 N ATOM 162 CA SER A 14 -7.465 2.154 -4.386 1.00 0.00 C ATOM 163 C SER A 14 -6.689 1.274 -5.368 1.00 0.00 C ATOM 164 O SER A 14 -6.681 1.537 -6.570 1.00 0.00 O ATOM 165 CB SER A 14 -6.500 3.020 -3.573 1.00 0.00 C ATOM 166 OG SER A 14 -6.655 4.407 -3.862 1.00 0.00 O ATOM 0 H SER A 14 -8.082 1.423 -2.522 1.00 0.00 H new ATOM 0 HA SER A 14 -8.124 2.818 -4.946 1.00 0.00 H new ATOM 0 HB2 SER A 14 -6.668 2.850 -2.510 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.475 2.718 -3.786 1.00 0.00 H new ATOM 0 HG SER A 14 -6.023 4.926 -3.322 1.00 0.00 H new ATOM 172 N MET A 15 -6.057 0.247 -4.820 1.00 0.00 N ATOM 173 CA MET A 15 -5.280 -0.674 -5.633 1.00 0.00 C ATOM 174 C MET A 15 -6.048 -1.073 -6.894 1.00 0.00 C ATOM 175 O MET A 15 -5.458 -1.219 -7.964 1.00 0.00 O ATOM 176 CB MET A 15 -4.953 -1.925 -4.816 1.00 0.00 C ATOM 177 CG MET A 15 -3.857 -1.638 -3.787 1.00 0.00 C ATOM 178 SD MET A 15 -3.515 -3.107 -2.833 1.00 0.00 S ATOM 179 CE MET A 15 -1.732 -3.037 -2.785 1.00 0.00 C ATOM 0 H MET A 15 -6.067 0.032 -3.823 1.00 0.00 H new ATOM 0 HA MET A 15 -4.359 -0.176 -5.934 1.00 0.00 H new ATOM 0 HB2 MET A 15 -5.851 -2.276 -4.308 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.630 -2.725 -5.483 1.00 0.00 H new ATOM 0 HG2 MET A 15 -2.951 -1.304 -4.292 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.170 -0.830 -3.126 1.00 0.00 H new ATOM 0 HE1 MET A 15 -1.383 -3.331 -1.795 1.00 0.00 H new ATOM 0 HE2 MET A 15 -1.321 -3.716 -3.532 1.00 0.00 H new ATOM 0 HE3 MET A 15 -1.402 -2.020 -2.999 1.00 0.00 H new ATOM 189 N LYS A 16 -7.352 -1.239 -6.727 1.00 0.00 N ATOM 190 CA LYS A 16 -8.206 -1.619 -7.839 1.00 0.00 C ATOM 191 C LYS A 16 -8.001 -0.636 -8.993 1.00 0.00 C ATOM 192 O LYS A 16 -7.840 -1.047 -10.142 1.00 0.00 O ATOM 193 CB LYS A 16 -9.662 -1.735 -7.381 1.00 0.00 C ATOM 194 CG LYS A 16 -9.811 -2.798 -6.291 1.00 0.00 C ATOM 195 CD LYS A 16 -10.906 -3.803 -6.652 1.00 0.00 C ATOM 196 CE LYS A 16 -12.248 -3.396 -6.040 1.00 0.00 C ATOM 197 NZ LYS A 16 -13.164 -2.893 -7.089 1.00 0.00 N ATOM 0 H LYS A 16 -7.838 -1.117 -5.838 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.933 -2.607 -8.209 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.006 -0.772 -7.004 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.295 -1.989 -8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.864 -3.320 -6.155 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.050 -2.319 -5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.002 -3.868 -7.736 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.626 -4.795 -6.296 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -12.698 -4.250 -5.535 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -12.092 -2.625 -5.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -14.070 -2.621 -6.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -12.739 -2.065 -7.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.327 -3.639 -7.795 1.00 0.00 H new ATOM 211 N ASP A 17 -8.013 0.643 -8.649 1.00 0.00 N ATOM 212 CA ASP A 17 -7.831 1.687 -9.642 1.00 0.00 C ATOM 213 C ASP A 17 -6.560 1.405 -10.445 1.00 0.00 C ATOM 214 O ASP A 17 -5.453 1.503 -9.918 1.00 0.00 O ATOM 215 CB ASP A 17 -7.676 3.057 -8.979 1.00 0.00 C ATOM 216 CG ASP A 17 -8.280 4.226 -9.759 1.00 0.00 C ATOM 217 OD1 ASP A 17 -7.834 4.433 -10.908 1.00 0.00 O ATOM 218 OD2 ASP A 17 -9.176 4.886 -9.190 1.00 0.00 O ATOM 0 H ASP A 17 -8.146 0.980 -7.696 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.710 1.695 -10.287 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.138 3.021 -7.993 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.614 3.252 -8.826 1.00 0.00 H new ATOM 223 N PRO A 18 -6.766 1.049 -11.742 1.00 0.00 N ATOM 224 CA PRO A 18 -5.650 0.752 -12.623 1.00 0.00 C ATOM 225 C PRO A 18 -4.933 2.033 -13.052 1.00 0.00 C ATOM 226 O PRO A 18 -3.954 1.982 -13.795 1.00 0.00 O ATOM 227 CB PRO A 18 -6.261 -0.006 -13.790 1.00 0.00 C ATOM 228 CG PRO A 18 -7.750 0.299 -13.751 1.00 0.00 C ATOM 229 CD PRO A 18 -8.062 0.922 -12.401 1.00 0.00 C ATOM 0 HA PRO A 18 -4.879 0.155 -12.137 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.822 0.312 -14.735 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.079 -1.077 -13.698 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -8.022 0.980 -14.558 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.330 -0.612 -13.894 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.545 1.893 -12.515 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.740 0.295 -11.823 1.00 0.00 H new ATOM 237 N GLU A 19 -5.448 3.153 -12.566 1.00 0.00 N ATOM 238 CA GLU A 19 -4.870 4.446 -12.890 1.00 0.00 C ATOM 239 C GLU A 19 -4.348 5.126 -11.623 1.00 0.00 C ATOM 240 O GLU A 19 -3.178 5.500 -11.551 1.00 0.00 O ATOM 241 CB GLU A 19 -5.884 5.335 -13.612 1.00 0.00 C ATOM 242 CG GLU A 19 -5.784 5.161 -15.129 1.00 0.00 C ATOM 243 CD GLU A 19 -6.131 6.463 -15.854 1.00 0.00 C ATOM 244 OE1 GLU A 19 -7.281 6.921 -15.678 1.00 0.00 O ATOM 245 OE2 GLU A 19 -5.240 6.970 -16.569 1.00 0.00 O ATOM 0 H GLU A 19 -6.260 3.192 -11.950 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.030 4.288 -13.566 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.892 5.087 -13.280 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.710 6.379 -13.350 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.775 4.849 -15.397 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.459 4.369 -15.453 1.00 0.00 H new ATOM 252 N LYS A 20 -5.242 5.268 -10.655 1.00 0.00 N ATOM 253 CA LYS A 20 -4.886 5.897 -9.394 1.00 0.00 C ATOM 254 C LYS A 20 -4.500 4.817 -8.381 1.00 0.00 C ATOM 255 O LYS A 20 -4.346 5.101 -7.194 1.00 0.00 O ATOM 256 CB LYS A 20 -6.014 6.813 -8.916 1.00 0.00 C ATOM 257 CG LYS A 20 -6.053 8.106 -9.733 1.00 0.00 C ATOM 258 CD LYS A 20 -5.326 9.238 -9.004 1.00 0.00 C ATOM 259 CE LYS A 20 -4.504 10.081 -9.981 1.00 0.00 C ATOM 260 NZ LYS A 20 -3.817 11.180 -9.267 1.00 0.00 N ATOM 0 H LYS A 20 -6.212 4.958 -10.718 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.016 6.541 -9.521 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.969 6.295 -9.002 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.873 7.049 -7.861 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.591 7.940 -10.706 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.088 8.393 -9.917 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.051 9.871 -8.493 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -4.672 8.821 -8.238 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.770 9.452 -10.485 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.155 10.492 -10.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.264 11.742 -9.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.523 11.789 -8.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.181 10.782 -8.547 1.00 0.00 H new ATOM 274 N GLY A 21 -4.355 3.601 -8.887 1.00 0.00 N ATOM 275 CA GLY A 21 -3.989 2.478 -8.041 1.00 0.00 C ATOM 276 C GLY A 21 -2.914 1.616 -8.707 1.00 0.00 C ATOM 277 O GLY A 21 -2.148 2.105 -9.536 1.00 0.00 O ATOM 0 H GLY A 21 -4.484 3.369 -9.872 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.623 2.845 -7.082 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -4.871 1.871 -7.835 1.00 0.00 H new ATOM 281 N ILE A 22 -2.893 0.349 -8.320 1.00 0.00 N ATOM 282 CA ILE A 22 -1.924 -0.584 -8.870 1.00 0.00 C ATOM 283 C ILE A 22 -2.249 -0.842 -10.343 1.00 0.00 C ATOM 284 O ILE A 22 -3.356 -0.556 -10.797 1.00 0.00 O ATOM 285 CB ILE A 22 -1.866 -1.856 -8.022 1.00 0.00 C ATOM 286 CG1 ILE A 22 -0.519 -1.976 -7.305 1.00 0.00 C ATOM 287 CG2 ILE A 22 -2.177 -3.094 -8.866 1.00 0.00 C ATOM 288 CD1 ILE A 22 -0.544 -3.109 -6.277 1.00 0.00 C ATOM 0 H ILE A 22 -3.531 -0.053 -7.633 1.00 0.00 H new ATOM 0 HA ILE A 22 -0.922 -0.157 -8.835 1.00 0.00 H new ATOM 0 HB ILE A 22 -2.636 -1.789 -7.254 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.270 -2.159 -8.034 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.282 -1.035 -6.809 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -2.129 -3.984 -8.238 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -3.177 -3.003 -9.291 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -1.447 -3.178 -9.671 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.425 -3.173 -5.782 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.318 -2.911 -5.536 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -0.757 -4.052 -6.780 1.00 0.00 H new ATOM 300 N LYS A 23 -1.265 -1.379 -11.048 1.00 0.00 N ATOM 301 CA LYS A 23 -1.432 -1.679 -12.460 1.00 0.00 C ATOM 302 C LYS A 23 -2.020 -3.083 -12.613 1.00 0.00 C ATOM 303 O LYS A 23 -2.339 -3.737 -11.622 1.00 0.00 O ATOM 304 CB LYS A 23 -0.114 -1.478 -13.210 1.00 0.00 C ATOM 305 CG LYS A 23 -0.074 -0.110 -13.893 1.00 0.00 C ATOM 306 CD LYS A 23 0.050 -0.258 -15.411 1.00 0.00 C ATOM 307 CE LYS A 23 -0.003 1.106 -16.101 1.00 0.00 C ATOM 308 NZ LYS A 23 -0.840 1.038 -17.320 1.00 0.00 N ATOM 0 H LYS A 23 -0.348 -1.614 -10.668 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.139 -0.986 -12.916 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.721 -1.566 -12.515 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.008 -2.264 -13.955 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.979 0.448 -13.651 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.768 0.467 -13.510 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.988 -0.757 -15.656 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.755 -0.890 -15.785 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.408 1.851 -15.416 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.005 1.427 -16.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.865 1.972 -17.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.437 0.342 -17.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.806 0.752 -17.062 1.00 0.00 H new ATOM 322 N GLU A 24 -2.144 -3.504 -13.863 1.00 0.00 N ATOM 323 CA GLU A 24 -2.688 -4.819 -14.158 1.00 0.00 C ATOM 324 C GLU A 24 -2.083 -5.365 -15.453 1.00 0.00 C ATOM 325 O GLU A 24 -2.621 -5.141 -16.537 1.00 0.00 O ATOM 326 CB GLU A 24 -4.215 -4.775 -14.243 1.00 0.00 C ATOM 327 CG GLU A 24 -4.831 -4.470 -12.876 1.00 0.00 C ATOM 328 CD GLU A 24 -6.252 -5.028 -12.778 1.00 0.00 C ATOM 329 OE1 GLU A 24 -7.032 -4.762 -13.718 1.00 0.00 O ATOM 330 OE2 GLU A 24 -6.527 -5.709 -11.766 1.00 0.00 O ATOM 0 H GLU A 24 -1.877 -2.958 -14.683 1.00 0.00 H new ATOM 0 HA GLU A 24 -2.422 -5.492 -13.343 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.521 -4.015 -14.962 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.590 -5.730 -14.610 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.212 -4.902 -12.090 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.848 -3.392 -12.713 1.00 0.00 H new ATOM 337 N LEU A 25 -0.972 -6.071 -15.299 1.00 0.00 N ATOM 338 CA LEU A 25 -0.288 -6.650 -16.442 1.00 0.00 C ATOM 339 C LEU A 25 -0.542 -8.158 -16.473 1.00 0.00 C ATOM 340 O LEU A 25 -1.003 -8.734 -15.488 1.00 0.00 O ATOM 341 CB LEU A 25 1.195 -6.276 -16.425 1.00 0.00 C ATOM 342 CG LEU A 25 1.513 -4.785 -16.555 1.00 0.00 C ATOM 343 CD1 LEU A 25 0.887 -4.200 -17.823 1.00 0.00 C ATOM 344 CD2 LEU A 25 1.086 -4.022 -15.300 1.00 0.00 C ATOM 0 H LEU A 25 -0.529 -6.255 -14.399 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.685 -6.241 -17.371 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.630 -6.640 -15.494 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.692 -6.805 -17.238 1.00 0.00 H new ATOM 0 HG LEU A 25 2.593 -4.672 -16.648 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.128 -3.139 -17.892 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.282 -4.719 -18.696 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.195 -4.325 -17.785 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.323 -2.965 -15.419 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.013 -4.138 -15.151 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.617 -4.418 -14.435 1.00 0.00 H new ATOM 356 N ASN A 26 -0.230 -8.756 -17.613 1.00 0.00 N ATOM 357 CA ASN A 26 -0.418 -10.186 -17.785 1.00 0.00 C ATOM 358 C ASN A 26 0.948 -10.869 -17.878 1.00 0.00 C ATOM 359 O ASN A 26 1.662 -10.704 -18.865 1.00 0.00 O ATOM 360 CB ASN A 26 -1.187 -10.490 -19.072 1.00 0.00 C ATOM 361 CG ASN A 26 -0.562 -9.769 -20.268 1.00 0.00 C ATOM 362 OD1 ASN A 26 -0.459 -8.554 -20.308 1.00 0.00 O ATOM 363 ND2 ASN A 26 -0.150 -10.583 -21.236 1.00 0.00 N ATOM 0 H ASN A 26 0.152 -8.275 -18.428 1.00 0.00 H new ATOM 0 HA ASN A 26 -0.984 -10.556 -16.930 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -1.191 -11.565 -19.252 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -2.227 -10.182 -18.960 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.283 -10.199 -22.076 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.267 -11.592 -21.138 1.00 0.00 H new ATOM 370 N LEU A 27 1.270 -11.622 -16.836 1.00 0.00 N ATOM 371 CA LEU A 27 2.537 -12.330 -16.787 1.00 0.00 C ATOM 372 C LEU A 27 2.311 -13.798 -17.154 1.00 0.00 C ATOM 373 O LEU A 27 1.203 -14.313 -17.014 1.00 0.00 O ATOM 374 CB LEU A 27 3.210 -12.133 -15.427 1.00 0.00 C ATOM 375 CG LEU A 27 3.385 -10.684 -14.969 1.00 0.00 C ATOM 376 CD1 LEU A 27 3.043 -10.532 -13.485 1.00 0.00 C ATOM 377 CD2 LEU A 27 4.791 -10.174 -15.289 1.00 0.00 C ATOM 0 H LEU A 27 0.674 -11.757 -16.019 1.00 0.00 H new ATOM 0 HA LEU A 27 3.230 -11.920 -17.522 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.626 -12.663 -14.675 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.192 -12.604 -15.458 1.00 0.00 H new ATOM 0 HG LEU A 27 2.683 -10.063 -15.526 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.176 -9.492 -13.186 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.007 -10.828 -13.318 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.702 -11.167 -12.893 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.889 -9.142 -14.953 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.528 -10.793 -14.778 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.960 -10.223 -16.365 1.00 0.00 H new ATOM 482 N VAL A 33 -1.158 -18.092 -18.391 1.00 0.00 N ATOM 483 CA VAL A 33 -1.014 -16.655 -18.555 1.00 0.00 C ATOM 484 C VAL A 33 -1.884 -15.938 -17.521 1.00 0.00 C ATOM 485 O VAL A 33 -3.102 -15.861 -17.675 1.00 0.00 O ATOM 486 CB VAL A 33 -1.346 -16.257 -19.995 1.00 0.00 C ATOM 487 CG1 VAL A 33 -1.419 -14.736 -20.140 1.00 0.00 C ATOM 488 CG2 VAL A 33 -0.335 -16.854 -20.976 1.00 0.00 C ATOM 0 HA VAL A 33 0.018 -16.352 -18.378 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.328 -16.664 -20.237 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.656 -14.480 -21.173 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.195 -14.345 -19.482 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.458 -14.298 -19.869 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.594 -16.556 -21.992 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.664 -16.491 -20.735 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.354 -17.941 -20.901 1.00 0.00 H new ATOM 498 N PHE A 34 -1.225 -15.433 -16.489 1.00 0.00 N ATOM 499 CA PHE A 34 -1.923 -14.725 -15.429 1.00 0.00 C ATOM 500 C PHE A 34 -2.294 -13.307 -15.869 1.00 0.00 C ATOM 501 O PHE A 34 -1.450 -12.413 -15.870 1.00 0.00 O ATOM 502 CB PHE A 34 -0.964 -14.642 -14.239 1.00 0.00 C ATOM 503 CG PHE A 34 -0.441 -16.000 -13.766 1.00 0.00 C ATOM 504 CD1 PHE A 34 -1.267 -17.080 -13.754 1.00 0.00 C ATOM 505 CD2 PHE A 34 0.850 -16.126 -13.358 1.00 0.00 C ATOM 506 CE1 PHE A 34 -0.781 -18.340 -13.315 1.00 0.00 C ATOM 507 CE2 PHE A 34 1.336 -17.387 -12.919 1.00 0.00 C ATOM 508 CZ PHE A 34 0.510 -18.467 -12.907 1.00 0.00 C ATOM 0 H PHE A 34 -0.215 -15.500 -16.364 1.00 0.00 H new ATOM 0 HA PHE A 34 -2.843 -15.251 -15.174 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.117 -14.013 -14.511 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.472 -14.151 -13.409 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.292 -16.980 -14.078 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.506 -15.268 -13.368 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.437 -19.198 -13.305 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.361 -17.488 -12.595 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.879 -19.426 -12.573 1.00 0.00 H new ATOM 518 N ASN A 35 -3.558 -13.147 -16.232 1.00 0.00 N ATOM 519 CA ASN A 35 -4.052 -11.853 -16.673 1.00 0.00 C ATOM 520 C ASN A 35 -4.484 -11.035 -15.455 1.00 0.00 C ATOM 521 O ASN A 35 -4.961 -11.590 -14.466 1.00 0.00 O ATOM 522 CB ASN A 35 -5.265 -12.011 -17.591 1.00 0.00 C ATOM 523 CG ASN A 35 -4.854 -12.578 -18.951 1.00 0.00 C ATOM 524 OD1 ASN A 35 -5.064 -13.740 -19.257 1.00 0.00 O ATOM 525 ND2 ASN A 35 -4.258 -11.695 -19.747 1.00 0.00 N ATOM 0 H ASN A 35 -4.255 -13.892 -16.230 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.251 -11.353 -17.217 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.996 -12.671 -17.124 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.750 -11.045 -17.728 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -3.946 -11.976 -20.677 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.113 -10.737 -19.428 1.00 0.00 H new ATOM 532 N HIS A 36 -4.301 -9.727 -15.565 1.00 0.00 N ATOM 533 CA HIS A 36 -4.667 -8.826 -14.485 1.00 0.00 C ATOM 534 C HIS A 36 -4.148 -9.381 -13.157 1.00 0.00 C ATOM 535 O HIS A 36 -4.910 -9.951 -12.378 1.00 0.00 O ATOM 536 CB HIS A 36 -6.176 -8.575 -14.473 1.00 0.00 C ATOM 537 CG HIS A 36 -6.745 -8.195 -15.819 1.00 0.00 C ATOM 538 ND1 HIS A 36 -6.759 -6.893 -16.287 1.00 0.00 N ATOM 539 CD2 HIS A 36 -7.319 -8.960 -16.792 1.00 0.00 C ATOM 540 CE1 HIS A 36 -7.319 -6.885 -17.487 1.00 0.00 C ATOM 541 NE2 HIS A 36 -7.666 -8.167 -17.799 1.00 0.00 N ATOM 0 H HIS A 36 -3.904 -9.270 -16.386 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.198 -7.855 -14.642 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.681 -9.473 -14.117 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.396 -7.781 -13.759 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -7.466 -10.029 -16.750 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -7.474 -6.016 -18.109 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -8.117 -8.467 -18.663 1.00 0.00 H new ATOM 549 N CYS A 37 -2.854 -9.194 -12.939 1.00 0.00 N ATOM 550 CA CYS A 37 -2.224 -9.669 -11.719 1.00 0.00 C ATOM 551 C CYS A 37 -1.129 -8.675 -11.326 1.00 0.00 C ATOM 552 O CYS A 37 -0.855 -7.726 -12.058 1.00 0.00 O ATOM 553 CB CYS A 37 -1.676 -11.088 -11.880 1.00 0.00 C ATOM 554 SG CYS A 37 -3.032 -12.238 -12.313 1.00 0.00 S ATOM 0 H CYS A 37 -2.225 -8.720 -13.587 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.965 -9.726 -10.922 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -0.912 -11.105 -12.657 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -1.198 -11.409 -10.955 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.059 -11.560 -12.731 1.00 0.00 H new ATOM 560 N LEU A 38 -0.533 -8.928 -10.170 1.00 0.00 N ATOM 561 CA LEU A 38 0.526 -8.067 -9.670 1.00 0.00 C ATOM 562 C LEU A 38 1.726 -8.925 -9.266 1.00 0.00 C ATOM 563 O LEU A 38 1.883 -10.046 -9.748 1.00 0.00 O ATOM 564 CB LEU A 38 0.003 -7.172 -8.545 1.00 0.00 C ATOM 565 CG LEU A 38 -1.518 -7.055 -8.433 1.00 0.00 C ATOM 566 CD1 LEU A 38 -1.921 -6.372 -7.124 1.00 0.00 C ATOM 567 CD2 LEU A 38 -2.105 -6.344 -9.655 1.00 0.00 C ATOM 0 H LEU A 38 -0.763 -9.717 -9.565 1.00 0.00 H new ATOM 0 HA LEU A 38 0.867 -7.389 -10.452 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.389 -7.549 -7.598 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.415 -6.172 -8.682 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.937 -8.061 -8.413 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.007 -6.302 -7.070 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.553 -6.956 -6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.490 -5.371 -7.088 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.188 -6.274 -9.550 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.682 -5.342 -9.731 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.864 -6.909 -10.555 1.00 0.00 H new ATOM 579 N THR A 39 2.544 -8.366 -8.386 1.00 0.00 N ATOM 580 CA THR A 39 3.725 -9.066 -7.912 1.00 0.00 C ATOM 581 C THR A 39 4.205 -8.466 -6.588 1.00 0.00 C ATOM 582 O THR A 39 4.192 -7.249 -6.413 1.00 0.00 O ATOM 583 CB THR A 39 4.780 -9.016 -9.019 1.00 0.00 C ATOM 584 OG1 THR A 39 4.637 -7.713 -9.577 1.00 0.00 O ATOM 585 CG2 THR A 39 4.454 -9.957 -10.181 1.00 0.00 C ATOM 0 H THR A 39 2.412 -7.436 -7.989 1.00 0.00 H new ATOM 0 HA THR A 39 3.506 -10.112 -7.699 1.00 0.00 H new ATOM 0 HB THR A 39 5.754 -9.275 -8.604 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.286 -7.595 -10.302 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.234 -9.883 -10.939 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.400 -10.982 -9.815 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.496 -9.677 -10.618 1.00 0.00 H new ATOM 593 N GLY A 40 4.617 -9.349 -5.691 1.00 0.00 N ATOM 594 CA GLY A 40 5.100 -8.923 -4.388 1.00 0.00 C ATOM 595 C GLY A 40 5.913 -7.632 -4.501 1.00 0.00 C ATOM 596 O GLY A 40 5.749 -6.718 -3.694 1.00 0.00 O ATOM 0 H GLY A 40 4.627 -10.358 -5.840 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.256 -8.768 -3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.716 -9.708 -3.950 1.00 0.00 H new ATOM 600 N SER A 41 6.773 -7.598 -5.509 1.00 0.00 N ATOM 601 CA SER A 41 7.612 -6.435 -5.737 1.00 0.00 C ATOM 602 C SER A 41 6.756 -5.254 -6.201 1.00 0.00 C ATOM 603 O SER A 41 6.923 -4.135 -5.720 1.00 0.00 O ATOM 604 CB SER A 41 8.703 -6.736 -6.767 1.00 0.00 C ATOM 605 OG SER A 41 9.592 -5.636 -6.941 1.00 0.00 O ATOM 0 H SER A 41 6.906 -8.358 -6.177 1.00 0.00 H new ATOM 0 HA SER A 41 8.099 -6.176 -4.797 1.00 0.00 H new ATOM 0 HB2 SER A 41 9.268 -7.612 -6.450 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.241 -6.983 -7.723 1.00 0.00 H new ATOM 0 HG SER A 41 10.274 -5.869 -7.605 1.00 0.00 H new ATOM 611 N GLY A 42 5.858 -5.546 -7.130 1.00 0.00 N ATOM 612 CA GLY A 42 4.975 -4.523 -7.664 1.00 0.00 C ATOM 613 C GLY A 42 4.021 -4.004 -6.586 1.00 0.00 C ATOM 614 O GLY A 42 3.815 -2.798 -6.462 1.00 0.00 O ATOM 0 H GLY A 42 5.723 -6.476 -7.527 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.567 -3.697 -8.059 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.401 -4.931 -8.496 1.00 0.00 H new ATOM 618 N VAL A 43 3.464 -4.942 -5.833 1.00 0.00 N ATOM 619 CA VAL A 43 2.537 -4.595 -4.770 1.00 0.00 C ATOM 620 C VAL A 43 3.127 -3.455 -3.937 1.00 0.00 C ATOM 621 O VAL A 43 2.448 -2.467 -3.662 1.00 0.00 O ATOM 622 CB VAL A 43 2.207 -5.836 -3.937 1.00 0.00 C ATOM 623 CG1 VAL A 43 1.309 -5.478 -2.752 1.00 0.00 C ATOM 624 CG2 VAL A 43 1.566 -6.922 -4.803 1.00 0.00 C ATOM 0 H VAL A 43 3.637 -5.942 -5.939 1.00 0.00 H new ATOM 0 HA VAL A 43 1.594 -4.240 -5.186 1.00 0.00 H new ATOM 0 HB VAL A 43 3.142 -6.232 -3.540 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.090 -6.378 -2.177 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.818 -4.755 -2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.378 -5.046 -3.119 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.341 -7.793 -4.187 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.644 -6.540 -5.242 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.255 -7.208 -5.598 1.00 0.00 H new ATOM 634 N ILE A 44 4.384 -3.631 -3.558 1.00 0.00 N ATOM 635 CA ILE A 44 5.073 -2.630 -2.761 1.00 0.00 C ATOM 636 C ILE A 44 5.433 -1.437 -3.650 1.00 0.00 C ATOM 637 O ILE A 44 5.252 -0.287 -3.254 1.00 0.00 O ATOM 638 CB ILE A 44 6.275 -3.249 -2.045 1.00 0.00 C ATOM 639 CG1 ILE A 44 5.891 -4.566 -1.368 1.00 0.00 C ATOM 640 CG2 ILE A 44 6.896 -2.257 -1.059 1.00 0.00 C ATOM 641 CD1 ILE A 44 7.121 -5.452 -1.157 1.00 0.00 C ATOM 0 H ILE A 44 4.944 -4.452 -3.788 1.00 0.00 H new ATOM 0 HA ILE A 44 4.421 -2.255 -1.972 1.00 0.00 H new ATOM 0 HB ILE A 44 7.035 -3.480 -2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.417 -4.361 -0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.159 -5.093 -1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.748 -2.722 -0.563 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.229 -1.369 -1.597 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.154 -1.972 -0.313 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.821 -6.382 -0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 44 7.579 -5.675 -2.121 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.841 -4.931 -0.525 1.00 0.00 H new ATOM 653 N ASP A 45 5.938 -1.753 -4.834 1.00 0.00 N ATOM 654 CA ASP A 45 6.325 -0.722 -5.781 1.00 0.00 C ATOM 655 C ASP A 45 5.279 0.395 -5.769 1.00 0.00 C ATOM 656 O ASP A 45 5.626 1.574 -5.713 1.00 0.00 O ATOM 657 CB ASP A 45 6.403 -1.282 -7.203 1.00 0.00 C ATOM 658 CG ASP A 45 7.353 -0.535 -8.141 1.00 0.00 C ATOM 659 OD1 ASP A 45 7.060 0.648 -8.421 1.00 0.00 O ATOM 660 OD2 ASP A 45 8.350 -1.163 -8.557 1.00 0.00 O ATOM 0 H ASP A 45 6.088 -2.708 -5.158 1.00 0.00 H new ATOM 0 HA ASP A 45 7.305 -0.345 -5.487 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.715 -2.325 -7.150 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.403 -1.270 -7.638 1.00 0.00 H new ATOM 665 N TRP A 46 4.021 -0.016 -5.823 1.00 0.00 N ATOM 666 CA TRP A 46 2.922 0.935 -5.819 1.00 0.00 C ATOM 667 C TRP A 46 2.992 1.732 -4.514 1.00 0.00 C ATOM 668 O TRP A 46 3.068 2.959 -4.536 1.00 0.00 O ATOM 669 CB TRP A 46 1.581 0.225 -6.015 1.00 0.00 C ATOM 670 CG TRP A 46 0.372 1.162 -5.995 1.00 0.00 C ATOM 671 CD1 TRP A 46 -0.003 2.045 -6.932 1.00 0.00 C ATOM 672 CD2 TRP A 46 -0.612 1.274 -4.946 1.00 0.00 C ATOM 673 NE1 TRP A 46 -1.151 2.715 -6.563 1.00 0.00 N ATOM 674 CE2 TRP A 46 -1.533 2.232 -5.317 1.00 0.00 C ATOM 675 CE3 TRP A 46 -0.719 0.590 -3.722 1.00 0.00 C ATOM 676 CZ2 TRP A 46 -2.628 2.591 -4.522 1.00 0.00 C ATOM 677 CZ3 TRP A 46 -1.818 0.961 -2.939 1.00 0.00 C ATOM 678 CH2 TRP A 46 -2.755 1.922 -3.299 1.00 0.00 C ATOM 0 H TRP A 46 3.738 -0.995 -5.870 1.00 0.00 H new ATOM 0 HA TRP A 46 3.008 1.628 -6.656 1.00 0.00 H new ATOM 0 HB2 TRP A 46 1.599 -0.308 -6.966 1.00 0.00 H new ATOM 0 HB3 TRP A 46 1.460 -0.524 -5.232 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.527 2.211 -7.858 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -1.631 3.433 -7.105 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.009 -0.162 -3.411 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.336 3.343 -4.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.947 0.466 -1.988 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.578 2.152 -2.638 1.00 0.00 H new ATOM 689 N LEU A 47 2.963 1.001 -3.410 1.00 0.00 N ATOM 690 CA LEU A 47 3.021 1.624 -2.098 1.00 0.00 C ATOM 691 C LEU A 47 4.129 2.679 -2.089 1.00 0.00 C ATOM 692 O LEU A 47 3.923 3.796 -1.616 1.00 0.00 O ATOM 693 CB LEU A 47 3.174 0.562 -1.007 1.00 0.00 C ATOM 694 CG LEU A 47 2.108 -0.535 -0.985 1.00 0.00 C ATOM 695 CD1 LEU A 47 2.494 -1.655 -0.016 1.00 0.00 C ATOM 696 CD2 LEU A 47 0.729 0.047 -0.668 1.00 0.00 C ATOM 0 H LEU A 47 2.900 -0.017 -3.396 1.00 0.00 H new ATOM 0 HA LEU A 47 2.086 2.140 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.150 0.090 -1.121 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.173 1.062 -0.038 1.00 0.00 H new ATOM 0 HG LEU A 47 2.050 -0.976 -1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.720 -2.422 -0.019 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.442 -2.095 -0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.596 -1.247 0.990 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.010 -0.754 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.754 0.530 0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.460 0.780 -1.428 1.00 0.00 H new ATOM 708 N VAL A 48 5.280 2.288 -2.616 1.00 0.00 N ATOM 709 CA VAL A 48 6.420 3.187 -2.674 1.00 0.00 C ATOM 710 C VAL A 48 6.151 4.278 -3.712 1.00 0.00 C ATOM 711 O VAL A 48 6.606 5.411 -3.559 1.00 0.00 O ATOM 712 CB VAL A 48 7.697 2.393 -2.959 1.00 0.00 C ATOM 713 CG1 VAL A 48 8.828 3.319 -3.413 1.00 0.00 C ATOM 714 CG2 VAL A 48 8.117 1.574 -1.737 1.00 0.00 C ATOM 0 H VAL A 48 5.448 1.361 -3.007 1.00 0.00 H new ATOM 0 HA VAL A 48 6.567 3.681 -1.714 1.00 0.00 H new ATOM 0 HB VAL A 48 7.486 1.698 -3.772 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.724 2.730 -3.609 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.529 3.839 -4.323 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.037 4.048 -2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.027 1.019 -1.966 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.302 2.243 -0.897 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.322 0.875 -1.477 1.00 0.00 H new ATOM 724 N SER A 49 5.412 3.900 -4.744 1.00 0.00 N ATOM 725 CA SER A 49 5.077 4.833 -5.807 1.00 0.00 C ATOM 726 C SER A 49 4.120 5.904 -5.280 1.00 0.00 C ATOM 727 O SER A 49 4.317 7.093 -5.527 1.00 0.00 O ATOM 728 CB SER A 49 4.455 4.107 -7.001 1.00 0.00 C ATOM 729 OG SER A 49 5.171 4.354 -8.208 1.00 0.00 O ATOM 0 H SER A 49 5.035 2.960 -4.867 1.00 0.00 H new ATOM 0 HA SER A 49 5.996 5.311 -6.146 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.436 3.035 -6.804 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.420 4.428 -7.121 1.00 0.00 H new ATOM 0 HG SER A 49 4.744 3.872 -8.946 1.00 0.00 H new ATOM 735 N ASN A 50 3.105 5.445 -4.564 1.00 0.00 N ATOM 736 CA ASN A 50 2.117 6.349 -4.000 1.00 0.00 C ATOM 737 C ASN A 50 2.646 6.918 -2.682 1.00 0.00 C ATOM 738 O ASN A 50 2.175 7.955 -2.216 1.00 0.00 O ATOM 739 CB ASN A 50 0.805 5.618 -3.706 1.00 0.00 C ATOM 740 CG ASN A 50 1.067 4.284 -3.004 1.00 0.00 C ATOM 741 OD1 ASN A 50 1.495 4.226 -1.863 1.00 0.00 O ATOM 742 ND2 ASN A 50 0.786 3.217 -3.748 1.00 0.00 N ATOM 0 H ASN A 50 2.945 4.458 -4.361 1.00 0.00 H new ATOM 0 HA ASN A 50 1.934 7.142 -4.725 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.168 6.243 -3.080 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.265 5.444 -4.637 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.926 2.280 -3.370 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.430 3.336 -4.697 1.00 0.00 H new ATOM 749 N LYS A 51 3.618 6.216 -2.119 1.00 0.00 N ATOM 750 CA LYS A 51 4.217 6.639 -0.864 1.00 0.00 C ATOM 751 C LYS A 51 3.308 6.224 0.295 1.00 0.00 C ATOM 752 O LYS A 51 3.179 6.952 1.278 1.00 0.00 O ATOM 753 CB LYS A 51 4.527 8.136 -0.897 1.00 0.00 C ATOM 754 CG LYS A 51 5.213 8.526 -2.208 1.00 0.00 C ATOM 755 CD LYS A 51 6.733 8.402 -2.090 1.00 0.00 C ATOM 756 CE LYS A 51 7.378 8.235 -3.468 1.00 0.00 C ATOM 757 NZ LYS A 51 8.274 9.375 -3.762 1.00 0.00 N ATOM 0 H LYS A 51 4.006 5.357 -2.509 1.00 0.00 H new ATOM 0 HA LYS A 51 5.175 6.142 -0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.604 8.705 -0.782 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.169 8.397 -0.055 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.854 7.887 -3.015 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.947 9.550 -2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.137 9.288 -1.600 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.984 7.548 -1.461 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.942 7.303 -3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.604 8.166 -4.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.703 9.246 -4.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.726 10.259 -3.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.023 9.422 -3.042 1.00 0.00 H new ATOM 771 N LEU A 52 2.701 5.056 0.140 1.00 0.00 N ATOM 772 CA LEU A 52 1.808 4.536 1.162 1.00 0.00 C ATOM 773 C LEU A 52 2.623 4.151 2.398 1.00 0.00 C ATOM 774 O LEU A 52 2.060 3.873 3.455 1.00 0.00 O ATOM 775 CB LEU A 52 0.962 3.391 0.601 1.00 0.00 C ATOM 776 CG LEU A 52 -0.382 3.788 -0.012 1.00 0.00 C ATOM 777 CD1 LEU A 52 -0.913 2.685 -0.929 1.00 0.00 C ATOM 778 CD2 LEU A 52 -1.391 4.166 1.075 1.00 0.00 C ATOM 0 H LEU A 52 2.810 4.456 -0.677 1.00 0.00 H new ATOM 0 HA LEU A 52 1.099 5.302 1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.546 2.872 -0.159 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.776 2.676 1.403 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.228 4.673 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.869 2.992 -1.352 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.201 2.507 -1.734 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.048 1.768 -0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.338 4.444 0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.547 3.315 1.738 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.007 5.009 1.650 1.00 0.00 H new ATOM 790 N VAL A 53 3.937 4.147 2.223 1.00 0.00 N ATOM 791 CA VAL A 53 4.835 3.800 3.311 1.00 0.00 C ATOM 792 C VAL A 53 6.048 4.731 3.282 1.00 0.00 C ATOM 793 O VAL A 53 6.073 5.701 2.526 1.00 0.00 O ATOM 794 CB VAL A 53 5.215 2.320 3.225 1.00 0.00 C ATOM 795 CG1 VAL A 53 4.107 1.435 3.799 1.00 0.00 C ATOM 796 CG2 VAL A 53 5.544 1.922 1.785 1.00 0.00 C ATOM 0 H VAL A 53 4.401 4.378 1.344 1.00 0.00 H new ATOM 0 HA VAL A 53 4.341 3.939 4.273 1.00 0.00 H new ATOM 0 HB VAL A 53 6.110 2.168 3.828 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.403 0.388 3.726 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.941 1.693 4.845 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.187 1.593 3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.811 0.866 1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 53 4.674 2.097 1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 53 6.382 2.519 1.425 1.00 0.00 H new ATOM 806 N ARG A 54 7.026 4.404 4.114 1.00 0.00 N ATOM 807 CA ARG A 54 8.240 5.199 4.192 1.00 0.00 C ATOM 808 C ARG A 54 9.331 4.591 3.310 1.00 0.00 C ATOM 809 O ARG A 54 10.227 5.296 2.849 1.00 0.00 O ATOM 810 CB ARG A 54 8.748 5.287 5.633 1.00 0.00 C ATOM 811 CG ARG A 54 7.986 6.356 6.419 1.00 0.00 C ATOM 812 CD ARG A 54 8.785 6.811 7.642 1.00 0.00 C ATOM 813 NE ARG A 54 7.863 7.197 8.734 1.00 0.00 N ATOM 814 CZ ARG A 54 8.202 7.220 10.030 1.00 0.00 C ATOM 815 NH1 ARG A 54 9.443 6.880 10.404 1.00 0.00 N ATOM 816 NH2 ARG A 54 7.300 7.583 10.952 1.00 0.00 N ATOM 0 H ARG A 54 7.002 3.599 4.740 1.00 0.00 H new ATOM 0 HA ARG A 54 8.002 6.203 3.840 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.633 4.320 6.122 1.00 0.00 H new ATOM 0 HB3 ARG A 54 9.813 5.520 5.633 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.783 7.211 5.774 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.021 5.960 6.737 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.442 6.008 7.976 1.00 0.00 H new ATOM 0 HD3 ARG A 54 9.422 7.655 7.377 1.00 0.00 H new ATOM 0 HE ARG A 54 6.910 7.462 8.484 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.130 6.604 9.702 1.00 0.00 H new ATOM 0 HH12 ARG A 54 9.701 6.898 11.391 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.355 7.842 10.667 1.00 0.00 H new ATOM 0 HH22 ARG A 54 7.558 7.601 11.939 1.00 0.00 H new ATOM 830 N ASN A 55 9.221 3.287 3.101 1.00 0.00 N ATOM 831 CA ASN A 55 10.187 2.575 2.282 1.00 0.00 C ATOM 832 C ASN A 55 9.591 1.236 1.845 1.00 0.00 C ATOM 833 O ASN A 55 8.442 0.931 2.162 1.00 0.00 O ATOM 834 CB ASN A 55 11.469 2.289 3.066 1.00 0.00 C ATOM 835 CG ASN A 55 11.297 2.639 4.546 1.00 0.00 C ATOM 836 OD1 ASN A 55 11.687 3.698 5.009 1.00 0.00 O ATOM 837 ND2 ASN A 55 10.691 1.694 5.259 1.00 0.00 N ATOM 0 H ASN A 55 8.477 2.705 3.485 1.00 0.00 H new ATOM 0 HA ASN A 55 10.423 3.199 1.420 1.00 0.00 H new ATOM 0 HB2 ASN A 55 11.733 1.236 2.966 1.00 0.00 H new ATOM 0 HB3 ASN A 55 12.293 2.866 2.646 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.528 1.833 6.256 1.00 0.00 H new ATOM 0 HD22 ASN A 55 10.389 0.830 4.809 1.00 0.00 H new ATOM 844 N ARG A 56 10.398 0.472 1.124 1.00 0.00 N ATOM 845 CA ARG A 56 9.965 -0.828 0.640 1.00 0.00 C ATOM 846 C ARG A 56 9.636 -1.749 1.816 1.00 0.00 C ATOM 847 O ARG A 56 8.669 -2.508 1.764 1.00 0.00 O ATOM 848 CB ARG A 56 11.045 -1.482 -0.224 1.00 0.00 C ATOM 849 CG ARG A 56 10.679 -1.407 -1.708 1.00 0.00 C ATOM 850 CD ARG A 56 9.720 -2.535 -2.094 1.00 0.00 C ATOM 851 NE ARG A 56 10.481 -3.684 -2.633 1.00 0.00 N ATOM 852 CZ ARG A 56 10.826 -3.820 -3.920 1.00 0.00 C ATOM 853 NH1 ARG A 56 10.480 -2.879 -4.809 1.00 0.00 N ATOM 854 NH2 ARG A 56 11.517 -4.896 -4.319 1.00 0.00 N ATOM 0 H ARG A 56 11.350 0.728 0.863 1.00 0.00 H new ATOM 0 HA ARG A 56 9.073 -0.675 0.033 1.00 0.00 H new ATOM 0 HB2 ARG A 56 12.001 -0.985 -0.056 1.00 0.00 H new ATOM 0 HB3 ARG A 56 11.171 -2.524 0.071 1.00 0.00 H new ATOM 0 HG2 ARG A 56 10.218 -0.443 -1.924 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.583 -1.471 -2.313 1.00 0.00 H new ATOM 0 HD2 ARG A 56 9.143 -2.847 -1.223 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.007 -2.179 -2.838 1.00 0.00 H new ATOM 0 HE ARG A 56 10.760 -4.419 -1.983 1.00 0.00 H new ATOM 0 HH11 ARG A 56 9.954 -2.059 -4.506 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.743 -2.982 -5.789 1.00 0.00 H new ATOM 0 HH21 ARG A 56 11.781 -5.612 -3.643 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.779 -4.999 -5.299 1.00 0.00 H new ATOM 868 N GLN A 57 10.458 -1.652 2.851 1.00 0.00 N ATOM 869 CA GLN A 57 10.266 -2.468 4.038 1.00 0.00 C ATOM 870 C GLN A 57 8.813 -2.387 4.508 1.00 0.00 C ATOM 871 O GLN A 57 8.062 -3.354 4.385 1.00 0.00 O ATOM 872 CB GLN A 57 11.227 -2.048 5.152 1.00 0.00 C ATOM 873 CG GLN A 57 11.712 -3.263 5.945 1.00 0.00 C ATOM 874 CD GLN A 57 10.872 -3.464 7.209 1.00 0.00 C ATOM 875 OE1 GLN A 57 10.011 -2.668 7.546 1.00 0.00 O ATOM 876 NE2 GLN A 57 11.170 -4.569 7.886 1.00 0.00 N ATOM 0 H GLN A 57 11.258 -1.021 2.892 1.00 0.00 H new ATOM 0 HA GLN A 57 10.487 -3.504 3.783 1.00 0.00 H new ATOM 0 HB2 GLN A 57 12.081 -1.525 4.722 1.00 0.00 H new ATOM 0 HB3 GLN A 57 10.729 -1.347 5.822 1.00 0.00 H new ATOM 0 HG2 GLN A 57 11.656 -4.155 5.321 1.00 0.00 H new ATOM 0 HG3 GLN A 57 12.759 -3.130 6.217 1.00 0.00 H new ATOM 0 HE21 GLN A 57 11.903 -5.192 7.547 1.00 0.00 H new ATOM 0 HE22 GLN A 57 10.666 -4.793 8.744 1.00 0.00 H new ATOM 885 N GLU A 58 8.459 -1.226 5.037 1.00 0.00 N ATOM 886 CA GLU A 58 7.108 -1.006 5.527 1.00 0.00 C ATOM 887 C GLU A 58 6.093 -1.688 4.606 1.00 0.00 C ATOM 888 O GLU A 58 5.209 -2.404 5.074 1.00 0.00 O ATOM 889 CB GLU A 58 6.809 0.488 5.661 1.00 0.00 C ATOM 890 CG GLU A 58 6.670 0.889 7.131 1.00 0.00 C ATOM 891 CD GLU A 58 6.429 2.394 7.268 1.00 0.00 C ATOM 892 OE1 GLU A 58 5.253 2.795 7.128 1.00 0.00 O ATOM 893 OE2 GLU A 58 7.425 3.109 7.509 1.00 0.00 O ATOM 0 H GLU A 58 9.084 -0.426 5.138 1.00 0.00 H new ATOM 0 HA GLU A 58 7.025 -1.449 6.519 1.00 0.00 H new ATOM 0 HB2 GLU A 58 7.608 1.066 5.197 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.890 0.728 5.126 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.843 0.342 7.584 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.573 0.611 7.675 1.00 0.00 H new ATOM 900 N GLY A 59 6.254 -1.441 3.315 1.00 0.00 N ATOM 901 CA GLY A 59 5.363 -2.022 2.325 1.00 0.00 C ATOM 902 C GLY A 59 5.281 -3.541 2.486 1.00 0.00 C ATOM 903 O GLY A 59 4.190 -4.109 2.499 1.00 0.00 O ATOM 0 H GLY A 59 6.988 -0.846 2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.368 -1.588 2.426 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.717 -1.777 1.324 1.00 0.00 H new ATOM 907 N LEU A 60 6.448 -4.156 2.605 1.00 0.00 N ATOM 908 CA LEU A 60 6.522 -5.598 2.764 1.00 0.00 C ATOM 909 C LEU A 60 5.582 -6.031 3.891 1.00 0.00 C ATOM 910 O LEU A 60 4.601 -6.732 3.651 1.00 0.00 O ATOM 911 CB LEU A 60 7.972 -6.041 2.968 1.00 0.00 C ATOM 912 CG LEU A 60 8.169 -7.436 3.565 1.00 0.00 C ATOM 913 CD1 LEU A 60 7.242 -8.454 2.899 1.00 0.00 C ATOM 914 CD2 LEU A 60 9.637 -7.862 3.490 1.00 0.00 C ATOM 0 H LEU A 60 7.351 -3.681 2.594 1.00 0.00 H new ATOM 0 HA LEU A 60 6.185 -6.099 1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 60 8.481 -6.004 2.005 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.465 -5.317 3.617 1.00 0.00 H new ATOM 0 HG LEU A 60 7.898 -7.397 4.620 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.403 -9.437 3.342 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.205 -8.154 3.048 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.457 -8.498 1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.750 -8.857 3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.958 -7.879 2.449 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.250 -7.154 4.047 1.00 0.00 H new ATOM 926 N MET A 61 5.916 -5.594 5.097 1.00 0.00 N ATOM 927 CA MET A 61 5.114 -5.928 6.262 1.00 0.00 C ATOM 928 C MET A 61 3.626 -5.702 5.986 1.00 0.00 C ATOM 929 O MET A 61 2.808 -6.595 6.203 1.00 0.00 O ATOM 930 CB MET A 61 5.551 -5.064 7.447 1.00 0.00 C ATOM 931 CG MET A 61 7.069 -5.108 7.627 1.00 0.00 C ATOM 932 SD MET A 61 7.498 -4.676 9.305 1.00 0.00 S ATOM 933 CE MET A 61 6.663 -3.104 9.442 1.00 0.00 C ATOM 0 H MET A 61 6.731 -5.012 5.292 1.00 0.00 H new ATOM 0 HA MET A 61 5.265 -6.982 6.494 1.00 0.00 H new ATOM 0 HB2 MET A 61 5.230 -4.034 7.289 1.00 0.00 H new ATOM 0 HB3 MET A 61 5.063 -5.414 8.357 1.00 0.00 H new ATOM 0 HG2 MET A 61 7.442 -6.105 7.393 1.00 0.00 H new ATOM 0 HG3 MET A 61 7.546 -4.417 6.932 1.00 0.00 H new ATOM 0 HE1 MET A 61 7.185 -2.476 10.164 1.00 0.00 H new ATOM 0 HE2 MET A 61 6.656 -2.610 8.470 1.00 0.00 H new ATOM 0 HE3 MET A 61 5.638 -3.264 9.775 1.00 0.00 H new ATOM 943 N ILE A 62 3.320 -4.503 5.512 1.00 0.00 N ATOM 944 CA ILE A 62 1.945 -4.148 5.204 1.00 0.00 C ATOM 945 C ILE A 62 1.373 -5.158 4.208 1.00 0.00 C ATOM 946 O ILE A 62 0.365 -5.806 4.484 1.00 0.00 O ATOM 947 CB ILE A 62 1.860 -2.697 4.727 1.00 0.00 C ATOM 948 CG1 ILE A 62 2.427 -1.740 5.777 1.00 0.00 C ATOM 949 CG2 ILE A 62 0.427 -2.332 4.333 1.00 0.00 C ATOM 950 CD1 ILE A 62 1.418 -1.499 6.902 1.00 0.00 C ATOM 0 H ILE A 62 4.001 -3.765 5.334 1.00 0.00 H new ATOM 0 HA ILE A 62 1.328 -4.200 6.101 1.00 0.00 H new ATOM 0 HB ILE A 62 2.476 -2.595 3.833 1.00 0.00 H new ATOM 0 HG12 ILE A 62 3.347 -2.153 6.191 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.686 -0.791 5.307 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.395 -1.295 3.998 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.094 -2.985 3.526 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.230 -2.455 5.194 1.00 0.00 H new ATOM 0 HD11 ILE A 62 1.847 -0.815 7.635 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.508 -1.064 6.488 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.179 -2.446 7.386 1.00 0.00 H new ATOM 962 N SER A 63 2.042 -5.261 3.068 1.00 0.00 N ATOM 963 CA SER A 63 1.613 -6.181 2.029 1.00 0.00 C ATOM 964 C SER A 63 1.063 -7.462 2.659 1.00 0.00 C ATOM 965 O SER A 63 -0.021 -7.919 2.300 1.00 0.00 O ATOM 966 CB SER A 63 2.763 -6.509 1.075 1.00 0.00 C ATOM 967 OG SER A 63 2.941 -5.498 0.086 1.00 0.00 O ATOM 0 H SER A 63 2.878 -4.722 2.842 1.00 0.00 H new ATOM 0 HA SER A 63 0.824 -5.701 1.451 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.685 -6.625 1.645 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.568 -7.464 0.587 1.00 0.00 H new ATOM 0 HG SER A 63 3.220 -5.911 -0.758 1.00 0.00 H new ATOM 973 N ALA A 64 1.837 -8.007 3.586 1.00 0.00 N ATOM 974 CA ALA A 64 1.442 -9.227 4.269 1.00 0.00 C ATOM 975 C ALA A 64 0.016 -9.069 4.802 1.00 0.00 C ATOM 976 O ALA A 64 -0.843 -9.911 4.547 1.00 0.00 O ATOM 977 CB ALA A 64 2.448 -9.540 5.379 1.00 0.00 C ATOM 0 H ALA A 64 2.736 -7.626 3.880 1.00 0.00 H new ATOM 0 HA ALA A 64 1.445 -10.071 3.579 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.151 -10.455 5.891 1.00 0.00 H new ATOM 0 HB2 ALA A 64 3.439 -9.672 4.945 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.471 -8.716 6.092 1.00 0.00 H new ATOM 983 N SER A 65 -0.191 -7.983 5.532 1.00 0.00 N ATOM 984 CA SER A 65 -1.498 -7.704 6.104 1.00 0.00 C ATOM 985 C SER A 65 -2.573 -7.798 5.020 1.00 0.00 C ATOM 986 O SER A 65 -3.641 -8.364 5.247 1.00 0.00 O ATOM 987 CB SER A 65 -1.527 -6.323 6.762 1.00 0.00 C ATOM 988 OG SER A 65 -1.811 -6.403 8.157 1.00 0.00 O ATOM 0 H SER A 65 0.524 -7.286 5.741 1.00 0.00 H new ATOM 0 HA SER A 65 -1.701 -8.448 6.874 1.00 0.00 H new ATOM 0 HB2 SER A 65 -0.566 -5.831 6.615 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.280 -5.704 6.273 1.00 0.00 H new ATOM 0 HG SER A 65 -1.819 -5.502 8.541 1.00 0.00 H new ATOM 994 N LEU A 66 -2.255 -7.234 3.864 1.00 0.00 N ATOM 995 CA LEU A 66 -3.181 -7.247 2.744 1.00 0.00 C ATOM 996 C LEU A 66 -3.455 -8.694 2.332 1.00 0.00 C ATOM 997 O LEU A 66 -4.607 -9.125 2.293 1.00 0.00 O ATOM 998 CB LEU A 66 -2.656 -6.371 1.605 1.00 0.00 C ATOM 999 CG LEU A 66 -2.698 -4.861 1.844 1.00 0.00 C ATOM 1000 CD1 LEU A 66 -4.140 -4.351 1.877 1.00 0.00 C ATOM 1001 CD2 LEU A 66 -1.929 -4.485 3.113 1.00 0.00 C ATOM 0 H LEU A 66 -1.368 -6.765 3.679 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.137 -6.812 3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.625 -6.657 1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.233 -6.593 0.707 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.201 -4.369 1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.141 -3.275 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.624 -4.568 0.925 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.683 -4.847 2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.975 -3.406 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.376 -4.987 3.971 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.889 -4.794 3.013 1.00 0.00 H new ATOM 1013 N LEU A 67 -2.377 -9.405 2.034 1.00 0.00 N ATOM 1014 CA LEU A 67 -2.488 -10.795 1.626 1.00 0.00 C ATOM 1015 C LEU A 67 -3.236 -11.581 2.704 1.00 0.00 C ATOM 1016 O LEU A 67 -4.256 -12.209 2.425 1.00 0.00 O ATOM 1017 CB LEU A 67 -1.108 -11.367 1.294 1.00 0.00 C ATOM 1018 CG LEU A 67 -1.043 -12.881 1.081 1.00 0.00 C ATOM 1019 CD1 LEU A 67 -1.159 -13.232 -0.403 1.00 0.00 C ATOM 1020 CD2 LEU A 67 0.221 -13.469 1.712 1.00 0.00 C ATOM 0 H LEU A 67 -1.423 -9.045 2.067 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.072 -10.877 0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.741 -10.877 0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.424 -11.104 2.101 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.896 -13.334 1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.110 -14.314 -0.526 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.110 -12.866 -0.790 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.340 -12.767 -0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.243 -14.546 1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.101 -13.014 1.257 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.221 -13.266 2.783 1.00 0.00 H new ATOM 1032 N SER A 68 -2.699 -11.522 3.914 1.00 0.00 N ATOM 1033 CA SER A 68 -3.303 -12.220 5.036 1.00 0.00 C ATOM 1034 C SER A 68 -4.828 -12.144 4.940 1.00 0.00 C ATOM 1035 O SER A 68 -5.491 -13.157 4.720 1.00 0.00 O ATOM 1036 CB SER A 68 -2.826 -11.639 6.369 1.00 0.00 C ATOM 1037 OG SER A 68 -2.559 -12.656 7.330 1.00 0.00 O ATOM 0 H SER A 68 -1.852 -11.001 4.142 1.00 0.00 H new ATOM 0 HA SER A 68 -2.994 -13.264 4.995 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.924 -11.049 6.205 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.584 -10.960 6.760 1.00 0.00 H new ATOM 0 HG SER A 68 -2.255 -12.245 8.166 1.00 0.00 H new ATOM 1043 N GLU A 69 -5.341 -10.934 5.110 1.00 0.00 N ATOM 1044 CA GLU A 69 -6.775 -10.713 5.045 1.00 0.00 C ATOM 1045 C GLU A 69 -7.387 -11.529 3.903 1.00 0.00 C ATOM 1046 O GLU A 69 -8.472 -12.090 4.049 1.00 0.00 O ATOM 1047 CB GLU A 69 -7.094 -9.225 4.888 1.00 0.00 C ATOM 1048 CG GLU A 69 -6.952 -8.490 6.222 1.00 0.00 C ATOM 1049 CD GLU A 69 -8.079 -8.875 7.183 1.00 0.00 C ATOM 1050 OE1 GLU A 69 -9.220 -8.435 6.925 1.00 0.00 O ATOM 1051 OE2 GLU A 69 -7.773 -9.601 8.153 1.00 0.00 O ATOM 0 H GLU A 69 -4.788 -10.096 5.293 1.00 0.00 H new ATOM 0 HA GLU A 69 -7.217 -11.049 5.983 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.424 -8.782 4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.109 -9.105 4.509 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.988 -8.729 6.672 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.966 -7.414 6.052 1.00 0.00 H new ATOM 1058 N GLY A 70 -6.664 -11.567 2.793 1.00 0.00 N ATOM 1059 CA GLY A 70 -7.122 -12.305 1.628 1.00 0.00 C ATOM 1060 C GLY A 70 -7.407 -11.360 0.459 1.00 0.00 C ATOM 1061 O GLY A 70 -8.224 -11.667 -0.408 1.00 0.00 O ATOM 0 H GLY A 70 -5.765 -11.099 2.676 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.367 -13.035 1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -8.024 -12.863 1.878 1.00 0.00 H new ATOM 1065 N TYR A 71 -6.717 -10.229 0.472 1.00 0.00 N ATOM 1066 CA TYR A 71 -6.885 -9.237 -0.577 1.00 0.00 C ATOM 1067 C TYR A 71 -6.056 -9.598 -1.811 1.00 0.00 C ATOM 1068 O TYR A 71 -6.388 -9.196 -2.925 1.00 0.00 O ATOM 1069 CB TYR A 71 -6.368 -7.919 0.002 1.00 0.00 C ATOM 1070 CG TYR A 71 -7.352 -7.224 0.945 1.00 0.00 C ATOM 1071 CD1 TYR A 71 -8.614 -6.887 0.498 1.00 0.00 C ATOM 1072 CD2 TYR A 71 -6.979 -6.934 2.242 1.00 0.00 C ATOM 1073 CE1 TYR A 71 -9.541 -6.233 1.386 1.00 0.00 C ATOM 1074 CE2 TYR A 71 -7.906 -6.280 3.129 1.00 0.00 C ATOM 1075 CZ TYR A 71 -9.141 -5.962 2.657 1.00 0.00 C ATOM 1076 OH TYR A 71 -10.016 -5.345 3.495 1.00 0.00 O ATOM 0 H TYR A 71 -6.040 -9.977 1.192 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.929 -9.177 -0.885 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.439 -8.110 0.539 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.128 -7.243 -0.819 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -8.906 -7.114 -0.517 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.992 -7.198 2.592 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -10.531 -5.964 1.050 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -7.627 -6.047 4.146 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.595 -5.216 4.370 1.00 0.00 H new ATOM 1086 N LEU A 72 -4.994 -10.353 -1.571 1.00 0.00 N ATOM 1087 CA LEU A 72 -4.116 -10.773 -2.650 1.00 0.00 C ATOM 1088 C LEU A 72 -4.121 -12.300 -2.741 1.00 0.00 C ATOM 1089 O LEU A 72 -3.889 -12.986 -1.746 1.00 0.00 O ATOM 1090 CB LEU A 72 -2.720 -10.172 -2.469 1.00 0.00 C ATOM 1091 CG LEU A 72 -2.639 -8.645 -2.495 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -3.464 -8.072 -3.649 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -3.050 -8.050 -1.146 1.00 0.00 C ATOM 0 H LEU A 72 -4.722 -10.685 -0.646 1.00 0.00 H new ATOM 0 HA LEU A 72 -4.479 -10.395 -3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.316 -10.521 -1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.073 -10.564 -3.254 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.601 -8.361 -2.669 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.389 -6.985 -3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.084 -8.458 -4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.507 -8.364 -3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.983 -6.963 -1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.075 -8.341 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.385 -8.421 -0.367 1.00 0.00 H new ATOM 1105 N GLN A 73 -4.387 -12.789 -3.943 1.00 0.00 N ATOM 1106 CA GLN A 73 -4.425 -14.222 -4.177 1.00 0.00 C ATOM 1107 C GLN A 73 -3.119 -14.690 -4.821 1.00 0.00 C ATOM 1108 O GLN A 73 -2.685 -14.133 -5.828 1.00 0.00 O ATOM 1109 CB GLN A 73 -5.630 -14.605 -5.039 1.00 0.00 C ATOM 1110 CG GLN A 73 -6.940 -14.199 -4.362 1.00 0.00 C ATOM 1111 CD GLN A 73 -7.542 -15.371 -3.584 1.00 0.00 C ATOM 1112 OE1 GLN A 73 -7.846 -16.420 -4.128 1.00 0.00 O ATOM 1113 NE2 GLN A 73 -7.697 -15.135 -2.285 1.00 0.00 N ATOM 0 H GLN A 73 -4.578 -12.218 -4.766 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.533 -14.724 -3.216 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.554 -14.120 -6.012 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.627 -15.680 -5.217 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.760 -13.363 -3.686 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.650 -13.854 -5.114 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.421 -14.234 -1.894 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -8.091 -15.855 -1.679 1.00 0.00 H new ATOM 1122 N PRO A 74 -2.513 -15.736 -4.198 1.00 0.00 N ATOM 1123 CA PRO A 74 -1.265 -16.285 -4.700 1.00 0.00 C ATOM 1124 C PRO A 74 -1.501 -17.126 -5.956 1.00 0.00 C ATOM 1125 O PRO A 74 -2.464 -17.888 -6.024 1.00 0.00 O ATOM 1126 CB PRO A 74 -0.696 -17.091 -3.543 1.00 0.00 C ATOM 1127 CG PRO A 74 -1.862 -17.347 -2.601 1.00 0.00 C ATOM 1128 CD PRO A 74 -2.998 -16.421 -3.003 1.00 0.00 C ATOM 0 HA PRO A 74 -0.562 -15.513 -5.014 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -0.265 -18.028 -3.895 1.00 0.00 H new ATOM 0 HB3 PRO A 74 0.100 -16.543 -3.039 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.179 -18.388 -2.660 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.566 -17.162 -1.568 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.910 -16.980 -3.210 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.232 -15.713 -2.208 1.00 0.00 H new ATOM 1136 N ALA A 75 -0.606 -16.959 -6.918 1.00 0.00 N ATOM 1137 CA ALA A 75 -0.705 -17.693 -8.168 1.00 0.00 C ATOM 1138 C ALA A 75 0.685 -18.183 -8.579 1.00 0.00 C ATOM 1139 O ALA A 75 1.607 -17.384 -8.737 1.00 0.00 O ATOM 1140 CB ALA A 75 -1.348 -16.803 -9.233 1.00 0.00 C ATOM 0 H ALA A 75 0.191 -16.326 -6.857 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.341 -18.570 -8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.422 -17.354 -10.171 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.345 -16.507 -8.906 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.736 -15.914 -9.382 1.00 0.00 H new ATOM 1146 N GLY A 76 0.792 -19.493 -8.740 1.00 0.00 N ATOM 1147 CA GLY A 76 2.054 -20.099 -9.130 1.00 0.00 C ATOM 1148 C GLY A 76 2.357 -21.332 -8.276 1.00 0.00 C ATOM 1149 O GLY A 76 1.945 -22.441 -8.612 1.00 0.00 O ATOM 0 H GLY A 76 0.025 -20.153 -8.608 1.00 0.00 H new ATOM 0 HA2 GLY A 76 2.016 -20.381 -10.182 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.859 -19.372 -9.024 1.00 0.00 H new ATOM 1153 N ASP A 77 3.077 -21.096 -7.188 1.00 0.00 N ATOM 1154 CA ASP A 77 3.440 -22.174 -6.284 1.00 0.00 C ATOM 1155 C ASP A 77 4.304 -21.614 -5.152 1.00 0.00 C ATOM 1156 O ASP A 77 4.185 -22.043 -4.005 1.00 0.00 O ATOM 1157 CB ASP A 77 4.250 -23.251 -7.008 1.00 0.00 C ATOM 1158 CG ASP A 77 5.371 -22.724 -7.906 1.00 0.00 C ATOM 1159 OD1 ASP A 77 5.048 -21.908 -8.796 1.00 0.00 O ATOM 1160 OD2 ASP A 77 6.525 -23.148 -7.681 1.00 0.00 O ATOM 0 H ASP A 77 3.418 -20.175 -6.913 1.00 0.00 H new ATOM 0 HA ASP A 77 2.521 -22.614 -5.897 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.685 -23.919 -6.264 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.570 -23.849 -7.615 1.00 0.00 H new ATOM 1165 N LEU A 78 5.155 -20.665 -5.513 1.00 0.00 N ATOM 1166 CA LEU A 78 6.038 -20.042 -4.542 1.00 0.00 C ATOM 1167 C LEU A 78 5.199 -19.349 -3.467 1.00 0.00 C ATOM 1168 O LEU A 78 5.011 -19.889 -2.378 1.00 0.00 O ATOM 1169 CB LEU A 78 7.031 -19.112 -5.241 1.00 0.00 C ATOM 1170 CG LEU A 78 7.771 -18.121 -4.339 1.00 0.00 C ATOM 1171 CD1 LEU A 78 9.284 -18.325 -4.426 1.00 0.00 C ATOM 1172 CD2 LEU A 78 7.367 -16.680 -4.661 1.00 0.00 C ATOM 0 H LEU A 78 5.252 -20.312 -6.465 1.00 0.00 H new ATOM 0 HA LEU A 78 6.643 -20.796 -4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.770 -19.724 -5.758 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.495 -18.548 -6.004 1.00 0.00 H new ATOM 0 HG LEU A 78 7.479 -18.314 -3.307 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.786 -17.608 -3.776 1.00 0.00 H new ATOM 0 HD12 LEU A 78 9.533 -19.338 -4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 78 9.613 -18.174 -5.454 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.907 -15.996 -4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.611 -16.457 -5.700 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.295 -16.560 -4.507 1.00 0.00 H new ATOM 1184 N SER A 79 4.717 -18.164 -3.809 1.00 0.00 N ATOM 1185 CA SER A 79 3.902 -17.392 -2.886 1.00 0.00 C ATOM 1186 C SER A 79 2.947 -18.318 -2.131 1.00 0.00 C ATOM 1187 O SER A 79 2.684 -18.112 -0.947 1.00 0.00 O ATOM 1188 CB SER A 79 3.117 -16.304 -3.622 1.00 0.00 C ATOM 1189 OG SER A 79 2.438 -16.817 -4.766 1.00 0.00 O ATOM 0 H SER A 79 4.875 -17.719 -4.713 1.00 0.00 H new ATOM 0 HA SER A 79 4.564 -16.903 -2.171 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.393 -15.856 -2.941 1.00 0.00 H new ATOM 0 HB3 SER A 79 3.798 -15.511 -3.930 1.00 0.00 H new ATOM 0 HG SER A 79 1.947 -16.093 -5.207 1.00 0.00 H new ATOM 1195 N LYS A 80 2.454 -19.318 -2.847 1.00 0.00 N ATOM 1196 CA LYS A 80 1.534 -20.276 -2.259 1.00 0.00 C ATOM 1197 C LYS A 80 2.189 -20.923 -1.037 1.00 0.00 C ATOM 1198 O LYS A 80 1.618 -20.921 0.052 1.00 0.00 O ATOM 1199 CB LYS A 80 1.065 -21.283 -3.311 1.00 0.00 C ATOM 1200 CG LYS A 80 -0.408 -21.063 -3.663 1.00 0.00 C ATOM 1201 CD LYS A 80 -0.783 -21.810 -4.945 1.00 0.00 C ATOM 1202 CE LYS A 80 -1.752 -22.955 -4.648 1.00 0.00 C ATOM 1203 NZ LYS A 80 -2.106 -23.671 -5.894 1.00 0.00 N ATOM 0 H LYS A 80 2.674 -19.485 -3.829 1.00 0.00 H new ATOM 0 HA LYS A 80 0.633 -19.773 -1.908 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.675 -21.187 -4.209 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.206 -22.297 -2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.037 -21.405 -2.841 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.600 -19.998 -3.789 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.238 -21.118 -5.654 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.117 -22.204 -5.417 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.299 -23.648 -3.939 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.654 -22.563 -4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.765 -24.445 -5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.558 -23.010 -6.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.245 -24.061 -6.327 1.00 0.00 H new ATOM 1217 N ASN A 81 3.379 -21.461 -1.259 1.00 0.00 N ATOM 1218 CA ASN A 81 4.119 -22.111 -0.190 1.00 0.00 C ATOM 1219 C ASN A 81 4.257 -21.144 0.988 1.00 0.00 C ATOM 1220 O ASN A 81 4.409 -21.571 2.131 1.00 0.00 O ATOM 1221 CB ASN A 81 5.525 -22.500 -0.650 1.00 0.00 C ATOM 1222 CG ASN A 81 5.536 -23.908 -1.249 1.00 0.00 C ATOM 1223 OD1 ASN A 81 5.290 -24.897 -0.579 1.00 0.00 O ATOM 1224 ND2 ASN A 81 5.833 -23.943 -2.545 1.00 0.00 N ATOM 0 H ASN A 81 3.850 -21.460 -2.164 1.00 0.00 H new ATOM 0 HA ASN A 81 3.574 -23.009 0.100 1.00 0.00 H new ATOM 0 HB2 ASN A 81 5.881 -21.783 -1.390 1.00 0.00 H new ATOM 0 HB3 ASN A 81 6.213 -22.455 0.194 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.865 -24.836 -3.037 1.00 0.00 H new ATOM 0 HD22 ASN A 81 6.029 -23.077 -3.047 1.00 0.00 H new ATOM 1231 N ALA A 82 4.201 -19.860 0.668 1.00 0.00 N ATOM 1232 CA ALA A 82 4.318 -18.829 1.686 1.00 0.00 C ATOM 1233 C ALA A 82 3.133 -18.931 2.647 1.00 0.00 C ATOM 1234 O ALA A 82 3.302 -19.290 3.812 1.00 0.00 O ATOM 1235 CB ALA A 82 4.409 -17.457 1.015 1.00 0.00 C ATOM 0 H ALA A 82 4.076 -19.509 -0.282 1.00 0.00 H new ATOM 0 HA ALA A 82 5.228 -18.967 2.270 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.497 -16.684 1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.284 -17.427 0.366 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.511 -17.282 0.422 1.00 0.00 H new ATOM 1241 N ALA A 83 1.959 -18.608 2.125 1.00 0.00 N ATOM 1242 CA ALA A 83 0.745 -18.659 2.923 1.00 0.00 C ATOM 1243 C ALA A 83 0.654 -20.018 3.619 1.00 0.00 C ATOM 1244 O ALA A 83 0.006 -20.146 4.656 1.00 0.00 O ATOM 1245 CB ALA A 83 -0.465 -18.378 2.030 1.00 0.00 C ATOM 0 H ALA A 83 1.822 -18.310 1.159 1.00 0.00 H new ATOM 0 HA ALA A 83 0.762 -17.893 3.698 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.375 -18.416 2.628 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.366 -17.389 1.583 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -0.517 -19.129 1.241 1.00 0.00 H new ATOM 1251 N ASP A 84 1.313 -20.999 3.020 1.00 0.00 N ATOM 1252 CA ASP A 84 1.314 -22.344 3.570 1.00 0.00 C ATOM 1253 C ASP A 84 1.810 -22.299 5.016 1.00 0.00 C ATOM 1254 O ASP A 84 1.074 -22.642 5.940 1.00 0.00 O ATOM 1255 CB ASP A 84 2.248 -23.262 2.778 1.00 0.00 C ATOM 1256 CG ASP A 84 1.764 -24.705 2.629 1.00 0.00 C ATOM 1257 OD1 ASP A 84 0.702 -25.010 3.214 1.00 0.00 O ATOM 1258 OD2 ASP A 84 2.466 -25.471 1.934 1.00 0.00 O ATOM 0 H ASP A 84 1.850 -20.889 2.160 1.00 0.00 H new ATOM 0 HA ASP A 84 0.296 -22.731 3.516 1.00 0.00 H new ATOM 0 HB2 ASP A 84 2.392 -22.839 1.784 1.00 0.00 H new ATOM 0 HB3 ASP A 84 3.223 -23.270 3.265 1.00 0.00 H new ATOM 1263 N GLY A 85 3.056 -21.874 5.168 1.00 0.00 N ATOM 1264 CA GLY A 85 3.659 -21.779 6.487 1.00 0.00 C ATOM 1265 C GLY A 85 5.184 -21.696 6.387 1.00 0.00 C ATOM 1266 O GLY A 85 5.894 -22.485 7.009 1.00 0.00 O ATOM 0 H GLY A 85 3.664 -21.592 4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.276 -20.899 7.003 1.00 0.00 H new ATOM 0 HA3 GLY A 85 3.377 -22.646 7.083 1.00 0.00 H new ATOM 1270 N ILE A 86 5.642 -20.732 5.602 1.00 0.00 N ATOM 1271 CA ILE A 86 7.069 -20.535 5.413 1.00 0.00 C ATOM 1272 C ILE A 86 7.665 -19.913 6.678 1.00 0.00 C ATOM 1273 O ILE A 86 8.277 -20.608 7.487 1.00 0.00 O ATOM 1274 CB ILE A 86 7.335 -19.723 4.144 1.00 0.00 C ATOM 1275 CG1 ILE A 86 7.374 -20.629 2.912 1.00 0.00 C ATOM 1276 CG2 ILE A 86 8.610 -18.889 4.284 1.00 0.00 C ATOM 1277 CD1 ILE A 86 8.632 -21.500 2.912 1.00 0.00 C ATOM 0 H ILE A 86 5.050 -20.079 5.089 1.00 0.00 H new ATOM 0 HA ILE A 86 7.569 -21.492 5.261 1.00 0.00 H new ATOM 0 HB ILE A 86 6.509 -19.026 4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.488 -21.264 2.895 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.348 -20.021 2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 86 8.776 -18.322 3.368 1.00 0.00 H new ATOM 0 HG22 ILE A 86 8.505 -18.201 5.123 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.459 -19.549 4.461 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.635 -22.135 2.026 1.00 0.00 H new ATOM 0 HD12 ILE A 86 9.516 -20.862 2.905 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.642 -22.124 3.805 1.00 0.00 H new ATOM 1289 N ALA A 87 7.464 -18.610 6.809 1.00 0.00 N ATOM 1290 CA ALA A 87 7.974 -17.886 7.961 1.00 0.00 C ATOM 1291 C ALA A 87 6.861 -17.010 8.540 1.00 0.00 C ATOM 1292 O ALA A 87 5.696 -17.403 8.545 1.00 0.00 O ATOM 1293 CB ALA A 87 9.202 -17.072 7.550 1.00 0.00 C ATOM 0 H ALA A 87 6.955 -18.037 6.136 1.00 0.00 H new ATOM 0 HA ALA A 87 8.289 -18.579 8.741 1.00 0.00 H new ATOM 0 HB1 ALA A 87 9.584 -16.529 8.414 1.00 0.00 H new ATOM 0 HB2 ALA A 87 9.974 -17.743 7.172 1.00 0.00 H new ATOM 0 HB3 ALA A 87 8.924 -16.363 6.770 1.00 0.00 H new ATOM 1299 N GLU A 88 7.261 -15.839 9.015 1.00 0.00 N ATOM 1300 CA GLU A 88 6.312 -14.904 9.596 1.00 0.00 C ATOM 1301 C GLU A 88 5.790 -13.944 8.525 1.00 0.00 C ATOM 1302 O GLU A 88 4.763 -13.295 8.716 1.00 0.00 O ATOM 1303 CB GLU A 88 6.941 -14.137 10.761 1.00 0.00 C ATOM 1304 CG GLU A 88 7.890 -13.050 10.252 1.00 0.00 C ATOM 1305 CD GLU A 88 9.035 -12.815 11.240 1.00 0.00 C ATOM 1306 OE1 GLU A 88 8.725 -12.665 12.442 1.00 0.00 O ATOM 1307 OE2 GLU A 88 10.193 -12.792 10.772 1.00 0.00 O ATOM 0 H GLU A 88 8.229 -15.517 9.009 1.00 0.00 H new ATOM 0 HA GLU A 88 5.469 -15.470 9.991 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.157 -13.685 11.369 1.00 0.00 H new ATOM 0 HB3 GLU A 88 7.485 -14.828 11.405 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.295 -13.341 9.283 1.00 0.00 H new ATOM 0 HG3 GLU A 88 7.338 -12.122 10.102 1.00 0.00 H new ATOM 1314 N ASN A 89 6.521 -13.884 7.422 1.00 0.00 N ATOM 1315 CA ASN A 89 6.145 -13.014 6.321 1.00 0.00 C ATOM 1316 C ASN A 89 5.698 -13.867 5.132 1.00 0.00 C ATOM 1317 O ASN A 89 6.526 -14.473 4.452 1.00 0.00 O ATOM 1318 CB ASN A 89 7.327 -12.155 5.869 1.00 0.00 C ATOM 1319 CG ASN A 89 7.268 -10.764 6.502 1.00 0.00 C ATOM 1320 OD1 ASN A 89 7.874 -10.493 7.526 1.00 0.00 O ATOM 1321 ND2 ASN A 89 6.506 -9.899 5.838 1.00 0.00 N ATOM 0 H ASN A 89 7.372 -14.424 7.267 1.00 0.00 H new ATOM 0 HA ASN A 89 5.339 -12.366 6.664 1.00 0.00 H new ATOM 0 HB2 ASN A 89 8.262 -12.644 6.143 1.00 0.00 H new ATOM 0 HB3 ASN A 89 7.321 -12.065 4.783 1.00 0.00 H new ATOM 0 HD21 ASN A 89 6.402 -8.944 6.180 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.026 -10.191 4.987 1.00 0.00 H new ATOM 1328 N PRO A 90 4.357 -13.889 4.912 1.00 0.00 N ATOM 1329 CA PRO A 90 3.790 -14.658 3.817 1.00 0.00 C ATOM 1330 C PRO A 90 4.034 -13.964 2.475 1.00 0.00 C ATOM 1331 O PRO A 90 4.015 -14.607 1.427 1.00 0.00 O ATOM 1332 CB PRO A 90 2.315 -14.796 4.155 1.00 0.00 C ATOM 1333 CG PRO A 90 2.019 -13.712 5.179 1.00 0.00 C ATOM 1334 CD PRO A 90 3.347 -13.185 5.697 1.00 0.00 C ATOM 0 HA PRO A 90 4.253 -15.639 3.708 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.697 -14.672 3.266 1.00 0.00 H new ATOM 0 HB3 PRO A 90 2.098 -15.785 4.559 1.00 0.00 H new ATOM 0 HG2 PRO A 90 1.439 -12.907 4.726 1.00 0.00 H new ATOM 0 HG3 PRO A 90 1.422 -14.113 5.998 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.424 -12.106 5.564 1.00 0.00 H new ATOM 0 HD3 PRO A 90 3.464 -13.384 6.762 1.00 0.00 H new ATOM 1342 N PHE A 91 4.257 -12.660 2.552 1.00 0.00 N ATOM 1343 CA PHE A 91 4.504 -11.872 1.357 1.00 0.00 C ATOM 1344 C PHE A 91 5.987 -11.898 0.980 1.00 0.00 C ATOM 1345 O PHE A 91 6.850 -11.677 1.828 1.00 0.00 O ATOM 1346 CB PHE A 91 4.097 -10.432 1.679 1.00 0.00 C ATOM 1347 CG PHE A 91 3.455 -9.690 0.505 1.00 0.00 C ATOM 1348 CD1 PHE A 91 2.124 -9.824 0.262 1.00 0.00 C ATOM 1349 CD2 PHE A 91 4.216 -8.896 -0.295 1.00 0.00 C ATOM 1350 CE1 PHE A 91 1.528 -9.135 -0.828 1.00 0.00 C ATOM 1351 CE2 PHE A 91 3.621 -8.207 -1.385 1.00 0.00 C ATOM 1352 CZ PHE A 91 2.289 -8.341 -1.628 1.00 0.00 C ATOM 0 H PHE A 91 4.272 -12.130 3.423 1.00 0.00 H new ATOM 0 HA PHE A 91 3.937 -12.278 0.520 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.398 -10.441 2.516 1.00 0.00 H new ATOM 0 HB3 PHE A 91 4.979 -9.880 2.006 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.520 -10.454 0.898 1.00 0.00 H new ATOM 0 HD2 PHE A 91 5.273 -8.789 -0.101 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.471 -9.242 -1.021 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.225 -7.577 -2.021 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.836 -7.817 -2.456 1.00 0.00 H new ATOM 1362 N LEU A 92 6.236 -12.169 -0.293 1.00 0.00 N ATOM 1363 CA LEU A 92 7.599 -12.226 -0.793 1.00 0.00 C ATOM 1364 C LEU A 92 7.893 -10.965 -1.606 1.00 0.00 C ATOM 1365 O LEU A 92 7.392 -10.808 -2.719 1.00 0.00 O ATOM 1366 CB LEU A 92 7.831 -13.525 -1.567 1.00 0.00 C ATOM 1367 CG LEU A 92 7.596 -14.821 -0.788 1.00 0.00 C ATOM 1368 CD1 LEU A 92 6.221 -14.816 -0.117 1.00 0.00 C ATOM 1369 CD2 LEU A 92 7.790 -16.044 -1.687 1.00 0.00 C ATOM 0 H LEU A 92 5.517 -12.351 -0.993 1.00 0.00 H new ATOM 0 HA LEU A 92 8.308 -12.244 0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 92 7.179 -13.526 -2.440 1.00 0.00 H new ATOM 0 HB3 LEU A 92 8.857 -13.527 -1.936 1.00 0.00 H new ATOM 0 HG LEU A 92 8.341 -14.882 0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.080 -15.748 0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.157 -13.976 0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.446 -14.720 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.617 -16.952 -1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.084 -16.002 -2.516 1.00 0.00 H new ATOM 0 HD23 LEU A 92 8.808 -16.051 -2.077 1.00 0.00 H new ATOM 1381 N ASP A 93 8.704 -10.096 -1.020 1.00 0.00 N ATOM 1382 CA ASP A 93 9.071 -8.853 -1.677 1.00 0.00 C ATOM 1383 C ASP A 93 9.965 -9.162 -2.880 1.00 0.00 C ATOM 1384 O ASP A 93 11.145 -8.816 -2.886 1.00 0.00 O ATOM 1385 CB ASP A 93 9.851 -7.939 -0.730 1.00 0.00 C ATOM 1386 CG ASP A 93 10.536 -6.747 -1.401 1.00 0.00 C ATOM 1387 OD1 ASP A 93 10.019 -6.313 -2.453 1.00 0.00 O ATOM 1388 OD2 ASP A 93 11.562 -6.296 -0.847 1.00 0.00 O ATOM 0 H ASP A 93 9.117 -10.228 -0.097 1.00 0.00 H new ATOM 0 HA ASP A 93 8.154 -8.352 -1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.169 -7.565 0.033 1.00 0.00 H new ATOM 0 HB3 ASP A 93 10.608 -8.533 -0.218 1.00 0.00 H new ATOM 1393 N SER A 94 9.368 -9.808 -3.870 1.00 0.00 N ATOM 1394 CA SER A 94 10.095 -10.167 -5.076 1.00 0.00 C ATOM 1395 C SER A 94 9.175 -10.058 -6.294 1.00 0.00 C ATOM 1396 O SER A 94 7.961 -10.219 -6.176 1.00 0.00 O ATOM 1397 CB SER A 94 10.672 -11.580 -4.972 1.00 0.00 C ATOM 1398 OG SER A 94 11.995 -11.657 -5.494 1.00 0.00 O ATOM 0 H SER A 94 8.388 -10.092 -3.862 1.00 0.00 H new ATOM 0 HA SER A 94 10.927 -9.472 -5.193 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.675 -11.894 -3.928 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.029 -12.275 -5.512 1.00 0.00 H new ATOM 0 HG SER A 94 12.328 -12.575 -5.407 1.00 0.00 H new ATOM 1404 N PRO A 95 9.805 -9.777 -7.466 1.00 0.00 N ATOM 1405 CA PRO A 95 9.056 -9.644 -8.705 1.00 0.00 C ATOM 1406 C PRO A 95 8.616 -11.013 -9.229 1.00 0.00 C ATOM 1407 O PRO A 95 7.935 -11.101 -10.249 1.00 0.00 O ATOM 1408 CB PRO A 95 9.993 -8.918 -9.655 1.00 0.00 C ATOM 1409 CG PRO A 95 11.388 -9.082 -9.073 1.00 0.00 C ATOM 1410 CD PRO A 95 11.240 -9.579 -7.643 1.00 0.00 C ATOM 0 HA PRO A 95 8.128 -9.086 -8.578 1.00 0.00 H new ATOM 0 HB2 PRO A 95 9.936 -9.341 -10.658 1.00 0.00 H new ATOM 0 HB3 PRO A 95 9.726 -7.864 -9.738 1.00 0.00 H new ATOM 0 HG2 PRO A 95 11.968 -9.790 -9.665 1.00 0.00 H new ATOM 0 HG3 PRO A 95 11.925 -8.133 -9.094 1.00 0.00 H new ATOM 0 HD2 PRO A 95 11.790 -10.507 -7.488 1.00 0.00 H new ATOM 0 HD3 PRO A 95 11.631 -8.854 -6.929 1.00 0.00 H new ATOM 1418 N ASP A 96 9.024 -12.046 -8.507 1.00 0.00 N ATOM 1419 CA ASP A 96 8.680 -13.406 -8.886 1.00 0.00 C ATOM 1420 C ASP A 96 7.285 -13.742 -8.356 1.00 0.00 C ATOM 1421 O ASP A 96 6.420 -14.183 -9.111 1.00 0.00 O ATOM 1422 CB ASP A 96 9.667 -14.411 -8.288 1.00 0.00 C ATOM 1423 CG ASP A 96 10.604 -15.076 -9.298 1.00 0.00 C ATOM 1424 OD1 ASP A 96 10.086 -15.863 -10.120 1.00 0.00 O ATOM 1425 OD2 ASP A 96 11.817 -14.783 -9.226 1.00 0.00 O ATOM 0 H ASP A 96 9.590 -11.969 -7.662 1.00 0.00 H new ATOM 0 HA ASP A 96 8.713 -13.471 -9.974 1.00 0.00 H new ATOM 0 HB2 ASP A 96 10.270 -13.902 -7.536 1.00 0.00 H new ATOM 0 HB3 ASP A 96 9.103 -15.188 -7.772 1.00 0.00 H new ATOM 1430 N ALA A 97 7.109 -13.519 -7.062 1.00 0.00 N ATOM 1431 CA ALA A 97 5.833 -13.793 -6.423 1.00 0.00 C ATOM 1432 C ALA A 97 4.743 -12.948 -7.086 1.00 0.00 C ATOM 1433 O ALA A 97 4.810 -11.720 -7.073 1.00 0.00 O ATOM 1434 CB ALA A 97 5.946 -13.522 -4.921 1.00 0.00 C ATOM 0 H ALA A 97 7.828 -13.152 -6.439 1.00 0.00 H new ATOM 0 HA ALA A 97 5.559 -14.841 -6.547 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.989 -13.727 -4.441 1.00 0.00 H new ATOM 0 HB2 ALA A 97 6.713 -14.167 -4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 97 6.217 -12.479 -4.759 1.00 0.00 H new ATOM 1440 N PHE A 98 3.765 -13.640 -7.652 1.00 0.00 N ATOM 1441 CA PHE A 98 2.663 -12.969 -8.320 1.00 0.00 C ATOM 1442 C PHE A 98 1.389 -13.034 -7.474 1.00 0.00 C ATOM 1443 O PHE A 98 1.021 -14.099 -6.980 1.00 0.00 O ATOM 1444 CB PHE A 98 2.423 -13.707 -9.638 1.00 0.00 C ATOM 1445 CG PHE A 98 3.706 -14.097 -10.375 1.00 0.00 C ATOM 1446 CD1 PHE A 98 4.336 -13.190 -11.170 1.00 0.00 C ATOM 1447 CD2 PHE A 98 4.217 -15.350 -10.236 1.00 0.00 C ATOM 1448 CE1 PHE A 98 5.527 -13.552 -11.853 1.00 0.00 C ATOM 1449 CE2 PHE A 98 5.407 -15.711 -10.920 1.00 0.00 C ATOM 1450 CZ PHE A 98 6.037 -14.805 -11.714 1.00 0.00 C ATOM 0 H PHE A 98 3.713 -14.659 -7.662 1.00 0.00 H new ATOM 0 HA PHE A 98 2.908 -11.919 -8.480 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.843 -14.608 -9.438 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.818 -13.077 -10.291 1.00 0.00 H new ATOM 0 HD1 PHE A 98 3.930 -12.195 -11.281 1.00 0.00 H new ATOM 0 HD2 PHE A 98 3.717 -16.070 -9.605 1.00 0.00 H new ATOM 0 HE1 PHE A 98 6.028 -12.832 -12.483 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.812 -16.706 -10.810 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.942 -15.080 -12.234 1.00 0.00 H new ATOM 1460 N TYR A 99 0.751 -11.881 -7.334 1.00 0.00 N ATOM 1461 CA TYR A 99 -0.474 -11.793 -6.557 1.00 0.00 C ATOM 1462 C TYR A 99 -1.560 -11.043 -7.330 1.00 0.00 C ATOM 1463 O TYR A 99 -1.263 -10.122 -8.090 1.00 0.00 O ATOM 1464 CB TYR A 99 -0.118 -10.999 -5.298 1.00 0.00 C ATOM 1465 CG TYR A 99 0.685 -11.794 -4.267 1.00 0.00 C ATOM 1466 CD1 TYR A 99 0.203 -12.999 -3.798 1.00 0.00 C ATOM 1467 CD2 TYR A 99 1.891 -11.306 -3.806 1.00 0.00 C ATOM 1468 CE1 TYR A 99 0.959 -13.747 -2.827 1.00 0.00 C ATOM 1469 CE2 TYR A 99 2.646 -12.054 -2.835 1.00 0.00 C ATOM 1470 CZ TYR A 99 2.144 -13.238 -2.394 1.00 0.00 C ATOM 1471 OH TYR A 99 2.858 -13.944 -1.477 1.00 0.00 O ATOM 0 H TYR A 99 1.059 -11.000 -7.745 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.857 -12.788 -6.329 1.00 0.00 H new ATOM 0 HB2 TYR A 99 0.454 -10.117 -5.587 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -1.038 -10.645 -4.832 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -0.741 -13.381 -4.159 1.00 0.00 H new ATOM 0 HD2 TYR A 99 2.268 -10.363 -4.174 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.593 -14.691 -2.451 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.590 -11.683 -2.465 1.00 0.00 H new ATOM 0 HH TYR A 99 3.682 -13.460 -1.261 1.00 0.00 H new ATOM 1481 N TYR A 100 -2.797 -11.464 -7.108 1.00 0.00 N ATOM 1482 CA TYR A 100 -3.929 -10.843 -7.774 1.00 0.00 C ATOM 1483 C TYR A 100 -5.160 -10.830 -6.866 1.00 0.00 C ATOM 1484 O TYR A 100 -5.350 -11.739 -6.059 1.00 0.00 O ATOM 1485 CB TYR A 100 -4.224 -11.709 -9.001 1.00 0.00 C ATOM 1486 CG TYR A 100 -4.857 -13.061 -8.669 1.00 0.00 C ATOM 1487 CD1 TYR A 100 -4.057 -14.136 -8.338 1.00 0.00 C ATOM 1488 CD2 TYR A 100 -6.230 -13.207 -8.702 1.00 0.00 C ATOM 1489 CE1 TYR A 100 -4.653 -15.409 -8.027 1.00 0.00 C ATOM 1490 CE2 TYR A 100 -6.826 -14.480 -8.390 1.00 0.00 C ATOM 1491 CZ TYR A 100 -6.008 -15.518 -8.068 1.00 0.00 C ATOM 1492 OH TYR A 100 -6.572 -16.721 -7.773 1.00 0.00 O ATOM 0 H TYR A 100 -3.040 -12.227 -6.476 1.00 0.00 H new ATOM 0 HA TYR A 100 -3.700 -9.810 -8.037 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -4.890 -11.161 -9.668 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -3.295 -11.878 -9.546 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -2.983 -14.022 -8.312 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -6.856 -12.366 -8.962 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -4.038 -16.258 -7.767 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -7.898 -14.608 -8.411 1.00 0.00 H new ATOM 0 HH TYR A 100 -7.547 -16.651 -7.841 1.00 0.00 H new ATOM 1502 N PHE A 101 -5.965 -9.790 -7.027 1.00 0.00 N ATOM 1503 CA PHE A 101 -7.172 -9.647 -6.231 1.00 0.00 C ATOM 1504 C PHE A 101 -8.166 -10.770 -6.537 1.00 0.00 C ATOM 1505 O PHE A 101 -8.339 -11.153 -7.692 1.00 0.00 O ATOM 1506 CB PHE A 101 -7.803 -8.306 -6.612 1.00 0.00 C ATOM 1507 CG PHE A 101 -6.808 -7.145 -6.671 1.00 0.00 C ATOM 1508 CD1 PHE A 101 -5.898 -6.978 -5.675 1.00 0.00 C ATOM 1509 CD2 PHE A 101 -6.834 -6.280 -7.721 1.00 0.00 C ATOM 1510 CE1 PHE A 101 -4.975 -5.900 -5.729 1.00 0.00 C ATOM 1511 CE2 PHE A 101 -5.911 -5.202 -7.775 1.00 0.00 C ATOM 1512 CZ PHE A 101 -5.001 -5.035 -6.779 1.00 0.00 C ATOM 0 H PHE A 101 -5.805 -9.038 -7.697 1.00 0.00 H new ATOM 0 HA PHE A 101 -6.926 -9.694 -5.170 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -8.286 -8.407 -7.584 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -8.584 -8.066 -5.891 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -5.877 -7.665 -4.842 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -7.556 -6.413 -8.513 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -4.253 -5.767 -4.937 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -5.932 -4.515 -8.608 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.299 -4.216 -6.821 1.00 0.00 H new ATOM 1522 N PRO A 102 -8.809 -11.278 -5.452 1.00 0.00 N ATOM 1523 CA PRO A 102 -9.781 -12.349 -5.592 1.00 0.00 C ATOM 1524 C PRO A 102 -11.097 -11.823 -6.170 1.00 0.00 C ATOM 1525 O PRO A 102 -12.129 -11.854 -5.501 1.00 0.00 O ATOM 1526 CB PRO A 102 -9.935 -12.927 -4.195 1.00 0.00 C ATOM 1527 CG PRO A 102 -9.401 -11.867 -3.245 1.00 0.00 C ATOM 1528 CD PRO A 102 -8.630 -10.849 -4.068 1.00 0.00 C ATOM 0 HA PRO A 102 -9.460 -13.119 -6.293 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -10.979 -13.155 -3.979 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.378 -13.859 -4.094 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -10.220 -11.385 -2.712 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.754 -12.319 -2.493 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -9.015 -9.841 -3.913 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.576 -10.833 -3.792 1.00 0.00 H new ATOM 1536 N ASP A 103 -11.018 -11.353 -7.406 1.00 0.00 N ATOM 1537 CA ASP A 103 -12.189 -10.822 -8.081 1.00 0.00 C ATOM 1538 C ASP A 103 -11.879 -10.645 -9.569 1.00 0.00 C ATOM 1539 O ASP A 103 -12.694 -10.994 -10.422 1.00 0.00 O ATOM 1540 CB ASP A 103 -12.579 -9.455 -7.514 1.00 0.00 C ATOM 1541 CG ASP A 103 -13.847 -8.844 -8.114 1.00 0.00 C ATOM 1542 OD1 ASP A 103 -14.724 -9.638 -8.516 1.00 0.00 O ATOM 1543 OD2 ASP A 103 -13.910 -7.596 -8.156 1.00 0.00 O ATOM 0 H ASP A 103 -10.160 -11.329 -7.958 1.00 0.00 H new ATOM 0 HA ASP A 103 -13.010 -11.523 -7.932 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -12.714 -9.550 -6.437 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -11.751 -8.764 -7.671 1.00 0.00 H new ATOM 1548 N SER A 104 -10.700 -10.104 -9.835 1.00 0.00 N ATOM 1549 CA SER A 104 -10.272 -9.877 -11.205 1.00 0.00 C ATOM 1550 C SER A 104 -9.368 -11.022 -11.667 1.00 0.00 C ATOM 1551 O SER A 104 -9.736 -11.787 -12.558 1.00 0.00 O ATOM 1552 CB SER A 104 -9.543 -8.539 -11.340 1.00 0.00 C ATOM 1553 OG SER A 104 -10.348 -7.556 -11.985 1.00 0.00 O ATOM 0 H SER A 104 -10.027 -9.816 -9.125 1.00 0.00 H new ATOM 0 HA SER A 104 -11.158 -9.843 -11.839 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.256 -8.181 -10.351 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.623 -8.683 -11.906 1.00 0.00 H new ATOM 0 HG SER A 104 -9.848 -6.716 -12.051 1.00 0.00 H new