USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 756 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 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 88 SER OG : rot 180:sc= -0.975 USER MOD Set 2.1: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 54 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 44 ASN : amide:sc= 0.852 K(o=2,f=-2.4) USER MOD Set 3.2: A 76 SER OG : rot -100:sc= 1.12 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 160:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 TYR OH : rot 180:sc= 0.0538 USER MOD Single : A 19 GLN : amide:sc= -0.0172 K(o=-0.017,f=-0.72) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.679 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.144 K(o=-0.14,f=-2.2!) USER MOD Single : A 51 SER OG : rot 180:sc= 0.00205 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 HIS : no HD1:sc= -0.745 X(o=-0.75,f=-0.46) USER MOD Single : A 59 LYS NZ :NH3+ -127:sc= -0.184 (180deg=-0.747) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -3.42! C(o=-3.4!,f=-9.5!) USER MOD Single : A 68 ASN : amide:sc= 0.188 K(o=0.19,f=-5.7!) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 CYS SG : rot 34:sc= -1.3 USER MOD Single : A 71 GLN : amide:sc= -1.58 K(o=-1.6,f=-3.7) USER MOD Single : A 72 MET CE :methyl 163:sc= -0.265 (180deg=-0.818) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -41:sc= 0.842 USER MOD Single : A 79 TYR OH : rot 91:sc= 0.469 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -170:sc= -2.89! USER MOD Single : A 89 THR OG1 : rot 97:sc= 0.445 USER MOD Single : A 95 SER OG : rot 43:sc= 0.993 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.219 -15.131 -23.434 1.00 0.00 N ATOM 2 CA GLY A 1 -6.316 -14.405 -24.045 1.00 0.00 C ATOM 3 C GLY A 1 -7.429 -14.100 -23.062 1.00 0.00 C ATOM 4 O GLY A 1 -8.271 -14.953 -22.784 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.485 -15.315 -24.147 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.816 -14.565 -22.660 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.569 -16.035 -23.056 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.941 -13.472 -24.465 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.717 -14.989 -24.873 1.00 0.00 H new ATOM 8 N SER A 2 -7.431 -12.881 -22.532 1.00 0.00 N ATOM 9 CA SER A 2 -8.445 -12.468 -21.569 1.00 0.00 C ATOM 10 C SER A 2 -9.411 -11.465 -22.194 1.00 0.00 C ATOM 11 O SER A 2 -9.089 -10.286 -22.340 1.00 0.00 O ATOM 12 CB SER A 2 -7.785 -11.856 -20.332 1.00 0.00 C ATOM 13 OG SER A 2 -8.721 -11.699 -19.280 1.00 0.00 O ATOM 0 H SER A 2 -6.742 -12.162 -22.753 1.00 0.00 H new ATOM 0 HA SER A 2 -9.009 -13.352 -21.271 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.965 -12.493 -20.001 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.354 -10.888 -20.587 1.00 0.00 H new ATOM 0 HG SER A 2 -8.274 -11.308 -18.500 1.00 0.00 H new ATOM 19 N SER A 3 -10.596 -11.942 -22.560 1.00 0.00 N ATOM 20 CA SER A 3 -11.608 -11.089 -23.172 1.00 0.00 C ATOM 21 C SER A 3 -12.719 -10.766 -22.178 1.00 0.00 C ATOM 22 O SER A 3 -13.901 -10.809 -22.516 1.00 0.00 O ATOM 23 CB SER A 3 -12.196 -11.769 -24.410 1.00 0.00 C ATOM 24 OG SER A 3 -11.436 -11.468 -25.567 1.00 0.00 O ATOM 0 H SER A 3 -10.879 -12.915 -22.443 1.00 0.00 H new ATOM 0 HA SER A 3 -11.130 -10.156 -23.471 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.221 -12.848 -24.258 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.226 -11.443 -24.553 1.00 0.00 H new ATOM 0 HG SER A 3 -11.831 -11.916 -26.344 1.00 0.00 H new ATOM 30 N GLY A 4 -12.330 -10.443 -20.949 1.00 0.00 N ATOM 31 CA GLY A 4 -13.304 -10.117 -19.924 1.00 0.00 C ATOM 32 C GLY A 4 -12.682 -9.410 -18.736 1.00 0.00 C ATOM 33 O GLY A 4 -11.478 -9.517 -18.502 1.00 0.00 O ATOM 0 H GLY A 4 -11.357 -10.401 -20.645 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.081 -9.484 -20.353 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.790 -11.032 -19.585 1.00 0.00 H new ATOM 37 N SER A 5 -13.503 -8.685 -17.984 1.00 0.00 N ATOM 38 CA SER A 5 -13.025 -7.953 -16.816 1.00 0.00 C ATOM 39 C SER A 5 -14.171 -7.655 -15.855 1.00 0.00 C ATOM 40 O SER A 5 -15.336 -7.905 -16.164 1.00 0.00 O ATOM 41 CB SER A 5 -12.353 -6.648 -17.247 1.00 0.00 C ATOM 42 OG SER A 5 -13.303 -5.731 -17.761 1.00 0.00 O ATOM 0 H SER A 5 -14.503 -8.588 -18.162 1.00 0.00 H new ATOM 0 HA SER A 5 -12.295 -8.577 -16.300 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.837 -6.203 -16.396 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.598 -6.857 -18.005 1.00 0.00 H new ATOM 0 HG SER A 5 -12.849 -4.905 -18.028 1.00 0.00 H new ATOM 48 N SER A 6 -13.832 -7.119 -14.687 1.00 0.00 N ATOM 49 CA SER A 6 -14.831 -6.790 -13.677 1.00 0.00 C ATOM 50 C SER A 6 -15.247 -5.326 -13.781 1.00 0.00 C ATOM 51 O SER A 6 -16.403 -5.016 -14.067 1.00 0.00 O ATOM 52 CB SER A 6 -14.286 -7.079 -12.277 1.00 0.00 C ATOM 53 OG SER A 6 -15.330 -7.107 -11.319 1.00 0.00 O ATOM 0 H SER A 6 -12.872 -6.903 -14.417 1.00 0.00 H new ATOM 0 HA SER A 6 -15.708 -7.412 -13.853 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.763 -8.035 -12.277 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.557 -6.317 -12.003 1.00 0.00 H new ATOM 0 HG SER A 6 -15.031 -7.594 -10.523 1.00 0.00 H new ATOM 59 N GLY A 7 -14.294 -4.429 -13.547 1.00 0.00 N ATOM 60 CA GLY A 7 -14.580 -3.008 -13.619 1.00 0.00 C ATOM 61 C GLY A 7 -13.432 -2.159 -13.110 1.00 0.00 C ATOM 62 O GLY A 7 -12.419 -2.002 -13.790 1.00 0.00 O ATOM 0 H GLY A 7 -13.330 -4.661 -13.309 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.799 -2.736 -14.652 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.475 -2.791 -13.036 1.00 0.00 H new ATOM 66 N ALA A 8 -13.591 -1.608 -11.911 1.00 0.00 N ATOM 67 CA ALA A 8 -12.559 -0.771 -11.312 1.00 0.00 C ATOM 68 C ALA A 8 -12.895 -0.438 -9.862 1.00 0.00 C ATOM 69 O ALA A 8 -13.941 0.142 -9.575 1.00 0.00 O ATOM 70 CB ALA A 8 -12.380 0.506 -12.121 1.00 0.00 C ATOM 0 H ALA A 8 -14.425 -1.726 -11.335 1.00 0.00 H new ATOM 0 HA ALA A 8 -11.623 -1.329 -11.322 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -11.606 1.122 -11.662 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -12.086 0.253 -13.140 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -13.319 1.059 -12.141 1.00 0.00 H new ATOM 76 N ALA A 9 -12.001 -0.811 -8.953 1.00 0.00 N ATOM 77 CA ALA A 9 -12.202 -0.551 -7.533 1.00 0.00 C ATOM 78 C ALA A 9 -11.198 0.472 -7.014 1.00 0.00 C ATOM 79 O ALA A 9 -11.504 1.258 -6.117 1.00 0.00 O ATOM 80 CB ALA A 9 -12.098 -1.845 -6.739 1.00 0.00 C ATOM 0 H ALA A 9 -11.130 -1.294 -9.174 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.202 -0.137 -7.403 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -12.250 -1.635 -5.680 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -12.859 -2.545 -7.083 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.110 -2.282 -6.884 1.00 0.00 H new ATOM 86 N PHE A 10 -9.997 0.456 -7.583 1.00 0.00 N ATOM 87 CA PHE A 10 -8.946 1.382 -7.176 1.00 0.00 C ATOM 88 C PHE A 10 -8.958 2.635 -8.048 1.00 0.00 C ATOM 89 O PHE A 10 -8.542 2.602 -9.206 1.00 0.00 O ATOM 90 CB PHE A 10 -7.578 0.702 -7.259 1.00 0.00 C ATOM 91 CG PHE A 10 -7.299 -0.226 -6.112 1.00 0.00 C ATOM 92 CD1 PHE A 10 -7.008 0.275 -4.853 1.00 0.00 C ATOM 93 CD2 PHE A 10 -7.330 -1.600 -6.292 1.00 0.00 C ATOM 94 CE1 PHE A 10 -6.751 -0.577 -3.796 1.00 0.00 C ATOM 95 CE2 PHE A 10 -7.073 -2.457 -5.238 1.00 0.00 C ATOM 96 CZ PHE A 10 -6.785 -1.945 -3.988 1.00 0.00 C ATOM 0 H PHE A 10 -9.727 -0.188 -8.327 1.00 0.00 H new ATOM 0 HA PHE A 10 -9.135 1.677 -6.144 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -7.516 0.142 -8.192 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.802 1.467 -7.294 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.982 1.343 -4.696 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -7.558 -2.006 -7.267 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -6.524 -0.174 -2.820 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -7.097 -3.526 -5.392 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.587 -2.612 -3.162 1.00 0.00 H new ATOM 106 N ALA A 11 -9.438 3.737 -7.482 1.00 0.00 N ATOM 107 CA ALA A 11 -9.503 5.001 -8.206 1.00 0.00 C ATOM 108 C ALA A 11 -8.106 5.544 -8.488 1.00 0.00 C ATOM 109 O ALA A 11 -7.920 6.377 -9.376 1.00 0.00 O ATOM 110 CB ALA A 11 -10.318 6.018 -7.420 1.00 0.00 C ATOM 0 H ALA A 11 -9.788 3.780 -6.525 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.994 4.819 -9.162 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.358 6.957 -7.972 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.330 5.639 -7.274 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.851 6.187 -6.450 1.00 0.00 H new ATOM 116 N LYS A 12 -7.127 5.070 -7.726 1.00 0.00 N ATOM 117 CA LYS A 12 -5.746 5.507 -7.894 1.00 0.00 C ATOM 118 C LYS A 12 -4.773 4.424 -7.438 1.00 0.00 C ATOM 119 O LYS A 12 -4.648 4.152 -6.244 1.00 0.00 O ATOM 120 CB LYS A 12 -5.498 6.795 -7.106 1.00 0.00 C ATOM 121 CG LYS A 12 -4.177 7.467 -7.440 1.00 0.00 C ATOM 122 CD LYS A 12 -4.212 8.953 -7.122 1.00 0.00 C ATOM 123 CE LYS A 12 -3.079 9.697 -7.813 1.00 0.00 C ATOM 124 NZ LYS A 12 -3.154 11.165 -7.575 1.00 0.00 N ATOM 0 H LYS A 12 -7.264 4.382 -6.985 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.578 5.698 -8.954 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.311 7.494 -7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.522 6.569 -6.040 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.373 6.992 -6.877 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.952 7.325 -8.497 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.168 9.371 -7.436 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.140 9.097 -6.044 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.123 9.319 -7.452 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.115 9.500 -8.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.365 11.636 -8.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.056 11.531 -7.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.094 11.355 -6.554 1.00 0.00 H new ATOM 138 N ILE A 13 -4.086 3.811 -8.396 1.00 0.00 N ATOM 139 CA ILE A 13 -3.123 2.760 -8.091 1.00 0.00 C ATOM 140 C ILE A 13 -1.778 3.350 -7.681 1.00 0.00 C ATOM 141 O ILE A 13 -1.467 4.498 -8.001 1.00 0.00 O ATOM 142 CB ILE A 13 -2.914 1.822 -9.295 1.00 0.00 C ATOM 143 CG1 ILE A 13 -2.391 2.608 -10.498 1.00 0.00 C ATOM 144 CG2 ILE A 13 -4.213 1.111 -9.643 1.00 0.00 C ATOM 145 CD1 ILE A 13 -0.882 2.668 -10.572 1.00 0.00 C ATOM 0 H ILE A 13 -4.178 4.024 -9.389 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.534 2.186 -7.260 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.171 1.070 -9.027 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.774 2.154 -11.412 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -2.785 3.623 -10.457 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -4.050 0.452 -10.496 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.546 0.523 -8.788 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.975 1.848 -9.895 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.583 3.241 -11.450 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.493 3.149 -9.675 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.481 1.657 -10.645 1.00 0.00 H new ATOM 157 N LEU A 14 -0.981 2.556 -6.973 1.00 0.00 N ATOM 158 CA LEU A 14 0.333 2.998 -6.521 1.00 0.00 C ATOM 159 C LEU A 14 1.258 3.257 -7.705 1.00 0.00 C ATOM 160 O LEU A 14 1.159 2.596 -8.739 1.00 0.00 O ATOM 161 CB LEU A 14 0.953 1.952 -5.593 1.00 0.00 C ATOM 162 CG LEU A 14 0.084 1.493 -4.422 1.00 0.00 C ATOM 163 CD1 LEU A 14 0.404 0.053 -4.051 1.00 0.00 C ATOM 164 CD2 LEU A 14 0.279 2.410 -3.223 1.00 0.00 C ATOM 0 H LEU A 14 -1.222 1.603 -6.700 1.00 0.00 H new ATOM 0 HA LEU A 14 0.206 3.932 -5.973 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.216 1.078 -6.188 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.883 2.356 -5.193 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.961 1.544 -4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.224 -0.256 -3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.213 -0.594 -4.907 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.453 -0.024 -3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.347 2.069 -2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.325 2.391 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.001 3.428 -3.494 1.00 0.00 H new ATOM 176 N ASP A 15 2.158 4.221 -7.546 1.00 0.00 N ATOM 177 CA ASP A 15 3.104 4.566 -8.601 1.00 0.00 C ATOM 178 C ASP A 15 3.793 3.317 -9.142 1.00 0.00 C ATOM 179 O ASP A 15 3.812 2.263 -8.506 1.00 0.00 O ATOM 180 CB ASP A 15 4.149 5.553 -8.077 1.00 0.00 C ATOM 181 CG ASP A 15 3.724 6.996 -8.261 1.00 0.00 C ATOM 182 OD1 ASP A 15 2.504 7.252 -8.325 1.00 0.00 O ATOM 183 OD2 ASP A 15 4.612 7.871 -8.342 1.00 0.00 O ATOM 0 H ASP A 15 2.252 4.778 -6.696 1.00 0.00 H new ATOM 0 HA ASP A 15 2.549 5.035 -9.414 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.327 5.362 -7.019 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.094 5.386 -8.594 1.00 0.00 H new ATOM 188 N PRO A 16 4.373 3.435 -10.346 1.00 0.00 N ATOM 189 CA PRO A 16 5.073 2.325 -11.000 1.00 0.00 C ATOM 190 C PRO A 16 6.379 1.969 -10.297 1.00 0.00 C ATOM 191 O PRO A 16 6.951 0.905 -10.531 1.00 0.00 O ATOM 192 CB PRO A 16 5.352 2.861 -12.406 1.00 0.00 C ATOM 193 CG PRO A 16 5.378 4.342 -12.249 1.00 0.00 C ATOM 194 CD PRO A 16 4.390 4.661 -11.162 1.00 0.00 C ATOM 0 HA PRO A 16 4.484 1.408 -10.988 1.00 0.00 H new ATOM 0 HB2 PRO A 16 6.301 2.487 -12.791 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.578 2.551 -13.109 1.00 0.00 H new ATOM 0 HG2 PRO A 16 6.377 4.689 -11.983 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.106 4.838 -13.181 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.700 5.528 -10.579 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.404 4.887 -11.569 1.00 0.00 H new ATOM 202 N ALA A 17 6.845 2.867 -9.435 1.00 0.00 N ATOM 203 CA ALA A 17 8.082 2.646 -8.696 1.00 0.00 C ATOM 204 C ALA A 17 8.321 3.757 -7.680 1.00 0.00 C ATOM 205 O ALA A 17 8.169 4.939 -7.990 1.00 0.00 O ATOM 206 CB ALA A 17 9.259 2.544 -9.655 1.00 0.00 C ATOM 0 H ALA A 17 6.385 3.754 -9.231 1.00 0.00 H new ATOM 0 HA ALA A 17 7.988 1.706 -8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 17 10.176 2.379 -9.089 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.100 1.711 -10.339 1.00 0.00 H new ATOM 0 HB3 ALA A 17 9.346 3.469 -10.225 1.00 0.00 H new ATOM 212 N TYR A 18 8.694 3.371 -6.465 1.00 0.00 N ATOM 213 CA TYR A 18 8.950 4.336 -5.401 1.00 0.00 C ATOM 214 C TYR A 18 10.438 4.394 -5.066 1.00 0.00 C ATOM 215 O TYR A 18 11.197 3.487 -5.406 1.00 0.00 O ATOM 216 CB TYR A 18 8.148 3.973 -4.151 1.00 0.00 C ATOM 217 CG TYR A 18 6.681 4.324 -4.250 1.00 0.00 C ATOM 218 CD1 TYR A 18 5.830 3.613 -5.087 1.00 0.00 C ATOM 219 CD2 TYR A 18 6.144 5.368 -3.505 1.00 0.00 C ATOM 220 CE1 TYR A 18 4.489 3.931 -5.181 1.00 0.00 C ATOM 221 CE2 TYR A 18 4.804 5.692 -3.592 1.00 0.00 C ATOM 222 CZ TYR A 18 3.981 4.972 -4.431 1.00 0.00 C ATOM 223 OH TYR A 18 2.646 5.291 -4.521 1.00 0.00 O ATOM 0 H TYR A 18 8.826 2.397 -6.192 1.00 0.00 H new ATOM 0 HA TYR A 18 8.636 5.319 -5.752 1.00 0.00 H new ATOM 0 HB2 TYR A 18 8.245 2.903 -3.965 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.579 4.487 -3.291 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.224 2.797 -5.675 1.00 0.00 H new ATOM 0 HD2 TYR A 18 6.786 5.935 -2.847 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.842 3.368 -5.838 1.00 0.00 H new ATOM 0 HE2 TYR A 18 4.403 6.505 -3.005 1.00 0.00 H new ATOM 0 HH TYR A 18 2.450 6.046 -3.928 1.00 0.00 H new ATOM 233 N GLN A 19 10.845 5.467 -4.396 1.00 0.00 N ATOM 234 CA GLN A 19 12.240 5.644 -4.014 1.00 0.00 C ATOM 235 C GLN A 19 12.352 6.418 -2.704 1.00 0.00 C ATOM 236 O GLN A 19 11.794 7.506 -2.564 1.00 0.00 O ATOM 237 CB GLN A 19 13.005 6.376 -5.119 1.00 0.00 C ATOM 238 CG GLN A 19 13.026 5.628 -6.442 1.00 0.00 C ATOM 239 CD GLN A 19 13.294 6.539 -7.623 1.00 0.00 C ATOM 240 OE1 GLN A 19 13.715 7.684 -7.456 1.00 0.00 O ATOM 241 NE2 GLN A 19 13.050 6.034 -8.827 1.00 0.00 N ATOM 0 H GLN A 19 10.229 6.226 -4.107 1.00 0.00 H new ATOM 0 HA GLN A 19 12.679 4.657 -3.871 1.00 0.00 H new ATOM 0 HB2 GLN A 19 12.555 7.357 -5.273 1.00 0.00 H new ATOM 0 HB3 GLN A 19 14.030 6.544 -4.790 1.00 0.00 H new ATOM 0 HG2 GLN A 19 13.792 4.853 -6.405 1.00 0.00 H new ATOM 0 HG3 GLN A 19 12.070 5.125 -6.586 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.702 5.080 -8.919 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.211 6.600 -9.660 1.00 0.00 H new ATOM 250 N VAL A 20 13.077 5.849 -1.746 1.00 0.00 N ATOM 251 CA VAL A 20 13.263 6.485 -0.447 1.00 0.00 C ATOM 252 C VAL A 20 14.700 6.336 0.037 1.00 0.00 C ATOM 253 O VAL A 20 15.426 5.444 -0.404 1.00 0.00 O ATOM 254 CB VAL A 20 12.312 5.892 0.609 1.00 0.00 C ATOM 255 CG1 VAL A 20 12.787 4.513 1.041 1.00 0.00 C ATOM 256 CG2 VAL A 20 12.198 6.824 1.806 1.00 0.00 C ATOM 0 H VAL A 20 13.545 4.948 -1.845 1.00 0.00 H new ATOM 0 HA VAL A 20 13.035 7.543 -0.577 1.00 0.00 H new ATOM 0 HB VAL A 20 11.323 5.787 0.163 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.103 4.110 1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.813 3.850 0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 20 13.786 4.590 1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.522 6.389 2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.182 6.963 2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.808 7.788 1.480 1.00 0.00 H new ATOM 266 N ASP A 21 15.106 7.214 0.947 1.00 0.00 N ATOM 267 CA ASP A 21 16.458 7.179 1.494 1.00 0.00 C ATOM 268 C ASP A 21 16.585 6.095 2.559 1.00 0.00 C ATOM 269 O ASP A 21 15.653 5.847 3.323 1.00 0.00 O ATOM 270 CB ASP A 21 16.826 8.540 2.087 1.00 0.00 C ATOM 271 CG ASP A 21 15.742 9.089 2.993 1.00 0.00 C ATOM 272 OD1 ASP A 21 15.611 8.591 4.131 1.00 0.00 O ATOM 273 OD2 ASP A 21 15.023 10.017 2.565 1.00 0.00 O ATOM 0 H ASP A 21 14.519 7.959 1.322 1.00 0.00 H new ATOM 0 HA ASP A 21 17.147 6.947 0.682 1.00 0.00 H new ATOM 0 HB2 ASP A 21 17.755 8.448 2.651 1.00 0.00 H new ATOM 0 HB3 ASP A 21 17.012 9.247 1.279 1.00 0.00 H new ATOM 278 N LYS A 22 17.746 5.450 2.604 1.00 0.00 N ATOM 279 CA LYS A 22 17.998 4.392 3.575 1.00 0.00 C ATOM 280 C LYS A 22 17.492 4.791 4.957 1.00 0.00 C ATOM 281 O LYS A 22 17.432 5.974 5.290 1.00 0.00 O ATOM 282 CB LYS A 22 19.494 4.076 3.639 1.00 0.00 C ATOM 283 CG LYS A 22 19.816 2.816 4.424 1.00 0.00 C ATOM 284 CD LYS A 22 21.189 2.896 5.068 1.00 0.00 C ATOM 285 CE LYS A 22 22.271 2.361 4.143 1.00 0.00 C ATOM 286 NZ LYS A 22 23.626 2.831 4.543 1.00 0.00 N ATOM 0 H LYS A 22 18.528 5.642 1.978 1.00 0.00 H new ATOM 0 HA LYS A 22 17.459 3.501 3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 22 19.878 3.970 2.624 1.00 0.00 H new ATOM 0 HB3 LYS A 22 20.016 4.919 4.091 1.00 0.00 H new ATOM 0 HG2 LYS A 22 19.060 2.663 5.194 1.00 0.00 H new ATOM 0 HG3 LYS A 22 19.774 1.952 3.760 1.00 0.00 H new ATOM 0 HD2 LYS A 22 21.410 3.931 5.328 1.00 0.00 H new ATOM 0 HD3 LYS A 22 21.190 2.327 5.998 1.00 0.00 H new ATOM 0 HE2 LYS A 22 22.248 1.271 4.150 1.00 0.00 H new ATOM 0 HE3 LYS A 22 22.064 2.678 3.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 24.335 2.444 3.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 23.656 3.870 4.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 23.835 2.507 5.509 1.00 0.00 H new ATOM 300 N GLY A 23 17.129 3.795 5.760 1.00 0.00 N ATOM 301 CA GLY A 23 16.635 4.063 7.098 1.00 0.00 C ATOM 302 C GLY A 23 15.678 5.239 7.138 1.00 0.00 C ATOM 303 O GLY A 23 15.644 5.987 8.114 1.00 0.00 O ATOM 0 H GLY A 23 17.168 2.808 5.508 1.00 0.00 H new ATOM 0 HA2 GLY A 23 16.131 3.175 7.481 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.478 4.262 7.760 1.00 0.00 H new ATOM 307 N GLY A 24 14.900 5.402 6.072 1.00 0.00 N ATOM 308 CA GLY A 24 13.950 6.498 6.009 1.00 0.00 C ATOM 309 C GLY A 24 12.516 6.033 6.168 1.00 0.00 C ATOM 310 O GLY A 24 12.240 5.100 6.923 1.00 0.00 O ATOM 0 H GLY A 24 14.910 4.796 5.252 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.183 7.222 6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 24 14.058 7.014 5.055 1.00 0.00 H new ATOM 314 N ARG A 25 11.602 6.684 5.457 1.00 0.00 N ATOM 315 CA ARG A 25 10.189 6.333 5.525 1.00 0.00 C ATOM 316 C ARG A 25 9.518 6.511 4.166 1.00 0.00 C ATOM 317 O ARG A 25 9.606 7.575 3.553 1.00 0.00 O ATOM 318 CB ARG A 25 9.478 7.192 6.573 1.00 0.00 C ATOM 319 CG ARG A 25 8.045 6.764 6.842 1.00 0.00 C ATOM 320 CD ARG A 25 7.327 7.754 7.745 1.00 0.00 C ATOM 321 NE ARG A 25 8.170 8.195 8.853 1.00 0.00 N ATOM 322 CZ ARG A 25 8.981 9.245 8.787 1.00 0.00 C ATOM 323 NH1 ARG A 25 9.058 9.958 7.673 1.00 0.00 N ATOM 324 NH2 ARG A 25 9.718 9.583 9.838 1.00 0.00 N ATOM 0 H ARG A 25 11.815 7.458 4.827 1.00 0.00 H new ATOM 0 HA ARG A 25 10.115 5.284 5.813 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.041 7.152 7.505 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.482 8.231 6.242 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.508 6.675 5.898 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.040 5.777 7.306 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.016 8.619 7.159 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.421 7.294 8.140 1.00 0.00 H new ATOM 0 HE ARG A 25 8.134 7.668 9.725 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.494 9.701 6.863 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.682 10.764 7.625 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.662 9.036 10.697 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.340 10.389 9.786 1.00 0.00 H new ATOM 338 N VAL A 26 8.849 5.462 3.700 1.00 0.00 N ATOM 339 CA VAL A 26 8.163 5.502 2.414 1.00 0.00 C ATOM 340 C VAL A 26 6.700 5.898 2.584 1.00 0.00 C ATOM 341 O VAL A 26 6.135 5.773 3.670 1.00 0.00 O ATOM 342 CB VAL A 26 8.235 4.140 1.697 1.00 0.00 C ATOM 343 CG1 VAL A 26 9.639 3.889 1.169 1.00 0.00 C ATOM 344 CG2 VAL A 26 7.800 3.022 2.632 1.00 0.00 C ATOM 0 H VAL A 26 8.767 4.573 4.194 1.00 0.00 H new ATOM 0 HA VAL A 26 8.671 6.251 1.807 1.00 0.00 H new ATOM 0 HB VAL A 26 7.551 4.159 0.848 1.00 0.00 H new ATOM 0 HG11 VAL A 26 9.671 2.923 0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 26 9.908 4.675 0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 26 10.345 3.889 1.999 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.857 2.067 2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.456 2.999 3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.774 3.197 2.956 1.00 0.00 H new ATOM 354 N ARG A 27 6.093 6.374 1.502 1.00 0.00 N ATOM 355 CA ARG A 27 4.696 6.789 1.530 1.00 0.00 C ATOM 356 C ARG A 27 3.902 6.105 0.421 1.00 0.00 C ATOM 357 O ARG A 27 4.136 6.346 -0.763 1.00 0.00 O ATOM 358 CB ARG A 27 4.590 8.308 1.385 1.00 0.00 C ATOM 359 CG ARG A 27 3.159 8.822 1.393 1.00 0.00 C ATOM 360 CD ARG A 27 3.103 10.316 1.114 1.00 0.00 C ATOM 361 NE ARG A 27 3.188 11.106 2.339 1.00 0.00 N ATOM 362 CZ ARG A 27 2.141 11.388 3.106 1.00 0.00 C ATOM 363 NH1 ARG A 27 0.935 10.947 2.775 1.00 0.00 N ATOM 364 NH2 ARG A 27 2.298 12.112 4.207 1.00 0.00 N ATOM 0 H ARG A 27 6.547 6.482 0.595 1.00 0.00 H new ATOM 0 HA ARG A 27 4.275 6.492 2.490 1.00 0.00 H new ATOM 0 HB2 ARG A 27 5.142 8.781 2.197 1.00 0.00 H new ATOM 0 HB3 ARG A 27 5.071 8.610 0.454 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.575 8.288 0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.702 8.614 2.360 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.921 10.591 0.448 1.00 0.00 H new ATOM 0 HD3 ARG A 27 2.175 10.553 0.594 1.00 0.00 H new ATOM 0 HE ARG A 27 4.102 11.461 2.621 1.00 0.00 H new ATOM 0 HH11 ARG A 27 0.810 10.390 1.930 1.00 0.00 H new ATOM 0 HH12 ARG A 27 0.132 11.165 3.366 1.00 0.00 H new ATOM 0 HH21 ARG A 27 3.224 12.453 4.465 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.493 12.328 4.795 1.00 0.00 H new ATOM 378 N PHE A 28 2.964 5.249 0.813 1.00 0.00 N ATOM 379 CA PHE A 28 2.137 4.528 -0.147 1.00 0.00 C ATOM 380 C PHE A 28 0.669 4.920 -0.004 1.00 0.00 C ATOM 381 O PHE A 28 0.011 4.558 0.971 1.00 0.00 O ATOM 382 CB PHE A 28 2.294 3.018 0.044 1.00 0.00 C ATOM 383 CG PHE A 28 3.659 2.507 -0.321 1.00 0.00 C ATOM 384 CD1 PHE A 28 4.140 2.638 -1.614 1.00 0.00 C ATOM 385 CD2 PHE A 28 4.460 1.894 0.629 1.00 0.00 C ATOM 386 CE1 PHE A 28 5.395 2.169 -1.953 1.00 0.00 C ATOM 387 CE2 PHE A 28 5.716 1.424 0.296 1.00 0.00 C ATOM 388 CZ PHE A 28 6.184 1.560 -0.997 1.00 0.00 C ATOM 0 H PHE A 28 2.758 5.038 1.789 1.00 0.00 H new ATOM 0 HA PHE A 28 2.471 4.797 -1.149 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.087 2.768 1.085 1.00 0.00 H new ATOM 0 HB3 PHE A 28 1.548 2.504 -0.562 1.00 0.00 H new ATOM 0 HD1 PHE A 28 3.527 3.112 -2.366 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.099 1.782 1.641 1.00 0.00 H new ATOM 0 HE1 PHE A 28 5.758 2.279 -2.964 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.332 0.950 1.046 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.164 1.191 -1.259 1.00 0.00 H new ATOM 398 N VAL A 29 0.163 5.664 -0.982 1.00 0.00 N ATOM 399 CA VAL A 29 -1.227 6.105 -0.966 1.00 0.00 C ATOM 400 C VAL A 29 -2.051 5.363 -2.012 1.00 0.00 C ATOM 401 O VAL A 29 -1.570 5.076 -3.108 1.00 0.00 O ATOM 402 CB VAL A 29 -1.337 7.620 -1.221 1.00 0.00 C ATOM 403 CG1 VAL A 29 -2.789 8.023 -1.426 1.00 0.00 C ATOM 404 CG2 VAL A 29 -0.716 8.400 -0.072 1.00 0.00 C ATOM 0 H VAL A 29 0.695 5.974 -1.795 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.619 5.881 0.026 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.787 7.858 -2.131 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.847 9.097 -1.605 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.197 7.490 -2.285 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.365 7.772 -0.536 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.803 9.469 -0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.236 8.158 0.855 1.00 0.00 H new ATOM 0 HG23 VAL A 29 0.336 8.133 0.022 1.00 0.00 H new ATOM 414 N VAL A 30 -3.297 5.055 -1.666 1.00 0.00 N ATOM 415 CA VAL A 30 -4.190 4.348 -2.576 1.00 0.00 C ATOM 416 C VAL A 30 -5.621 4.860 -2.450 1.00 0.00 C ATOM 417 O VAL A 30 -6.123 5.062 -1.345 1.00 0.00 O ATOM 418 CB VAL A 30 -4.174 2.831 -2.311 1.00 0.00 C ATOM 419 CG1 VAL A 30 -2.820 2.240 -2.673 1.00 0.00 C ATOM 420 CG2 VAL A 30 -4.521 2.540 -0.859 1.00 0.00 C ATOM 0 H VAL A 30 -3.711 5.284 -0.762 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.827 4.537 -3.586 1.00 0.00 H new ATOM 0 HB VAL A 30 -4.929 2.362 -2.942 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -2.828 1.167 -2.479 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.617 2.416 -3.729 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.044 2.712 -2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.505 1.463 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.791 3.021 -0.207 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.516 2.927 -0.638 1.00 0.00 H new ATOM 430 N GLU A 31 -6.272 5.067 -3.590 1.00 0.00 N ATOM 431 CA GLU A 31 -7.646 5.555 -3.607 1.00 0.00 C ATOM 432 C GLU A 31 -8.629 4.408 -3.821 1.00 0.00 C ATOM 433 O GLU A 31 -8.255 3.335 -4.296 1.00 0.00 O ATOM 434 CB GLU A 31 -7.824 6.606 -4.705 1.00 0.00 C ATOM 435 CG GLU A 31 -8.983 7.556 -4.456 1.00 0.00 C ATOM 436 CD GLU A 31 -9.190 8.534 -5.596 1.00 0.00 C ATOM 437 OE1 GLU A 31 -8.191 8.906 -6.247 1.00 0.00 O ATOM 438 OE2 GLU A 31 -10.350 8.928 -5.838 1.00 0.00 O ATOM 0 H GLU A 31 -5.870 4.905 -4.513 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.854 6.012 -2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.904 7.184 -4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.978 6.101 -5.658 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.896 6.979 -4.307 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.802 8.110 -3.535 1.00 0.00 H new ATOM 445 N LEU A 32 -9.888 4.642 -3.466 1.00 0.00 N ATOM 446 CA LEU A 32 -10.926 3.629 -3.619 1.00 0.00 C ATOM 447 C LEU A 32 -12.220 4.249 -4.136 1.00 0.00 C ATOM 448 O LEU A 32 -12.703 5.243 -3.596 1.00 0.00 O ATOM 449 CB LEU A 32 -11.182 2.927 -2.283 1.00 0.00 C ATOM 450 CG LEU A 32 -9.939 2.513 -1.494 1.00 0.00 C ATOM 451 CD1 LEU A 32 -10.236 2.492 -0.003 1.00 0.00 C ATOM 452 CD2 LEU A 32 -9.441 1.152 -1.960 1.00 0.00 C ATOM 0 H LEU A 32 -10.214 5.524 -3.071 1.00 0.00 H new ATOM 0 HA LEU A 32 -10.579 2.896 -4.348 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.782 3.588 -1.657 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -11.781 2.036 -2.472 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.154 3.247 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -9.340 2.195 0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.545 3.486 0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.036 1.780 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.556 0.873 -1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.222 0.407 -1.807 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.188 1.200 -3.019 1.00 0.00 H new ATOM 464 N ALA A 33 -12.777 3.653 -5.185 1.00 0.00 N ATOM 465 CA ALA A 33 -14.017 4.144 -5.773 1.00 0.00 C ATOM 466 C ALA A 33 -15.148 4.144 -4.750 1.00 0.00 C ATOM 467 O ALA A 33 -16.106 4.908 -4.869 1.00 0.00 O ATOM 468 CB ALA A 33 -14.398 3.302 -6.982 1.00 0.00 C ATOM 0 H ALA A 33 -12.389 2.829 -5.645 1.00 0.00 H new ATOM 0 HA ALA A 33 -13.854 5.172 -6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -15.326 3.680 -7.411 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -13.605 3.356 -7.728 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -14.536 2.265 -6.674 1.00 0.00 H new ATOM 474 N ASP A 34 -15.030 3.283 -3.745 1.00 0.00 N ATOM 475 CA ASP A 34 -16.042 3.184 -2.700 1.00 0.00 C ATOM 476 C ASP A 34 -15.417 2.755 -1.376 1.00 0.00 C ATOM 477 O ASP A 34 -14.491 1.945 -1.333 1.00 0.00 O ATOM 478 CB ASP A 34 -17.132 2.192 -3.108 1.00 0.00 C ATOM 479 CG ASP A 34 -17.919 2.661 -4.316 1.00 0.00 C ATOM 480 OD1 ASP A 34 -17.390 2.563 -5.443 1.00 0.00 O ATOM 481 OD2 ASP A 34 -19.064 3.126 -4.135 1.00 0.00 O ATOM 0 H ASP A 34 -14.243 2.644 -3.632 1.00 0.00 H new ATOM 0 HA ASP A 34 -16.489 4.169 -2.568 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -16.677 1.226 -3.327 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -17.813 2.040 -2.271 1.00 0.00 H new ATOM 486 N PRO A 35 -15.932 3.312 -0.270 1.00 0.00 N ATOM 487 CA PRO A 35 -15.439 3.002 1.075 1.00 0.00 C ATOM 488 C PRO A 35 -15.788 1.583 1.508 1.00 0.00 C ATOM 489 O PRO A 35 -15.065 0.966 2.292 1.00 0.00 O ATOM 490 CB PRO A 35 -16.158 4.024 1.960 1.00 0.00 C ATOM 491 CG PRO A 35 -17.398 4.369 1.210 1.00 0.00 C ATOM 492 CD PRO A 35 -17.036 4.285 -0.247 1.00 0.00 C ATOM 0 HA PRO A 35 -14.352 3.057 1.133 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -16.391 3.605 2.939 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -15.540 4.905 2.129 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -18.206 3.678 1.452 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -17.745 5.369 1.469 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -17.879 3.950 -0.852 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.726 5.253 -0.640 1.00 0.00 H new ATOM 500 N LYS A 36 -16.900 1.069 0.994 1.00 0.00 N ATOM 501 CA LYS A 36 -17.345 -0.280 1.325 1.00 0.00 C ATOM 502 C LYS A 36 -16.262 -1.305 1.004 1.00 0.00 C ATOM 503 O LYS A 36 -16.176 -2.354 1.643 1.00 0.00 O ATOM 504 CB LYS A 36 -18.626 -0.619 0.561 1.00 0.00 C ATOM 505 CG LYS A 36 -18.518 -0.395 -0.938 1.00 0.00 C ATOM 506 CD LYS A 36 -18.055 -1.651 -1.657 1.00 0.00 C ATOM 507 CE LYS A 36 -18.253 -1.537 -3.161 1.00 0.00 C ATOM 508 NZ LYS A 36 -18.412 -2.871 -3.802 1.00 0.00 N ATOM 0 H LYS A 36 -17.510 1.567 0.346 1.00 0.00 H new ATOM 0 HA LYS A 36 -17.548 -0.316 2.395 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -18.884 -1.662 0.746 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -19.443 -0.014 0.952 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -19.486 -0.085 -1.331 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -17.819 0.417 -1.136 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -17.002 -1.828 -1.440 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -18.607 -2.512 -1.280 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -19.134 -0.928 -3.366 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -17.399 -1.022 -3.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -18.545 -2.750 -4.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -17.561 -3.443 -3.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -19.241 -3.353 -3.400 1.00 0.00 H new ATOM 522 N LEU A 37 -15.437 -0.994 0.010 1.00 0.00 N ATOM 523 CA LEU A 37 -14.358 -1.888 -0.396 1.00 0.00 C ATOM 524 C LEU A 37 -13.326 -2.037 0.717 1.00 0.00 C ATOM 525 O LEU A 37 -13.163 -1.144 1.548 1.00 0.00 O ATOM 526 CB LEU A 37 -13.684 -1.363 -1.665 1.00 0.00 C ATOM 527 CG LEU A 37 -14.565 -1.291 -2.912 1.00 0.00 C ATOM 528 CD1 LEU A 37 -14.056 -0.219 -3.864 1.00 0.00 C ATOM 529 CD2 LEU A 37 -14.617 -2.643 -3.608 1.00 0.00 C ATOM 0 H LEU A 37 -15.495 -0.130 -0.529 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.789 -2.868 -0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -13.297 -0.365 -1.460 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -12.827 -1.999 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.576 -1.025 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -14.695 -0.182 -4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.072 0.749 -3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -13.035 -0.455 -4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.249 -2.572 -4.493 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -13.610 -2.939 -3.903 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -15.029 -3.387 -2.927 1.00 0.00 H new ATOM 541 N GLU A 38 -12.631 -3.170 0.726 1.00 0.00 N ATOM 542 CA GLU A 38 -11.614 -3.434 1.737 1.00 0.00 C ATOM 543 C GLU A 38 -10.218 -3.431 1.118 1.00 0.00 C ATOM 544 O GLU A 38 -10.034 -3.845 -0.026 1.00 0.00 O ATOM 545 CB GLU A 38 -11.878 -4.778 2.419 1.00 0.00 C ATOM 546 CG GLU A 38 -11.384 -4.838 3.855 1.00 0.00 C ATOM 547 CD GLU A 38 -11.643 -6.184 4.505 1.00 0.00 C ATOM 548 OE1 GLU A 38 -11.527 -7.212 3.805 1.00 0.00 O ATOM 549 OE2 GLU A 38 -11.961 -6.209 5.712 1.00 0.00 O ATOM 0 H GLU A 38 -12.754 -3.919 0.045 1.00 0.00 H new ATOM 0 HA GLU A 38 -11.664 -2.640 2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -12.949 -4.980 2.403 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -11.396 -5.569 1.844 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.315 -4.628 3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.874 -4.057 4.437 1.00 0.00 H new ATOM 556 N VAL A 39 -9.239 -2.961 1.884 1.00 0.00 N ATOM 557 CA VAL A 39 -7.860 -2.904 1.413 1.00 0.00 C ATOM 558 C VAL A 39 -6.979 -3.889 2.173 1.00 0.00 C ATOM 559 O VAL A 39 -7.179 -4.127 3.364 1.00 0.00 O ATOM 560 CB VAL A 39 -7.275 -1.487 1.561 1.00 0.00 C ATOM 561 CG1 VAL A 39 -7.960 -0.523 0.604 1.00 0.00 C ATOM 562 CG2 VAL A 39 -7.403 -1.006 2.998 1.00 0.00 C ATOM 0 H VAL A 39 -9.375 -2.614 2.834 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.874 -3.174 0.357 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.216 -1.522 1.306 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.533 0.473 0.723 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.811 -0.861 -0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.027 -0.489 0.824 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.985 -0.003 3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.455 -0.986 3.283 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.861 -1.683 3.658 1.00 0.00 H new ATOM 572 N LYS A 40 -6.002 -4.459 1.477 1.00 0.00 N ATOM 573 CA LYS A 40 -5.086 -5.417 2.085 1.00 0.00 C ATOM 574 C LYS A 40 -3.686 -5.281 1.496 1.00 0.00 C ATOM 575 O LYS A 40 -3.500 -5.388 0.284 1.00 0.00 O ATOM 576 CB LYS A 40 -5.601 -6.844 1.882 1.00 0.00 C ATOM 577 CG LYS A 40 -6.907 -7.128 2.603 1.00 0.00 C ATOM 578 CD LYS A 40 -7.560 -8.401 2.093 1.00 0.00 C ATOM 579 CE LYS A 40 -8.760 -8.791 2.942 1.00 0.00 C ATOM 580 NZ LYS A 40 -8.364 -9.615 4.117 1.00 0.00 N ATOM 0 H LYS A 40 -5.824 -4.274 0.490 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.033 -5.205 3.153 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.738 -7.023 0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.844 -7.547 2.229 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.721 -7.217 3.673 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.589 -6.289 2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.875 -8.260 1.059 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.831 -9.212 2.097 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.270 -7.891 3.285 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.471 -9.347 2.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.210 -9.860 4.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.900 -10.486 3.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.705 -9.075 4.713 1.00 0.00 H new ATOM 594 N TRP A 41 -2.706 -5.048 2.361 1.00 0.00 N ATOM 595 CA TRP A 41 -1.322 -4.900 1.925 1.00 0.00 C ATOM 596 C TRP A 41 -0.557 -6.209 2.086 1.00 0.00 C ATOM 597 O TRP A 41 -0.566 -6.816 3.157 1.00 0.00 O ATOM 598 CB TRP A 41 -0.631 -3.790 2.720 1.00 0.00 C ATOM 599 CG TRP A 41 -1.314 -2.462 2.602 1.00 0.00 C ATOM 600 CD1 TRP A 41 -2.499 -2.096 3.174 1.00 0.00 C ATOM 601 CD2 TRP A 41 -0.853 -1.324 1.866 1.00 0.00 C ATOM 602 NE1 TRP A 41 -2.803 -0.799 2.837 1.00 0.00 N ATOM 603 CE2 TRP A 41 -1.809 -0.303 2.036 1.00 0.00 C ATOM 604 CE3 TRP A 41 0.274 -1.067 1.082 1.00 0.00 C ATOM 605 CZ2 TRP A 41 -1.670 0.952 1.449 1.00 0.00 C ATOM 606 CZ3 TRP A 41 0.411 0.179 0.499 1.00 0.00 C ATOM 607 CH2 TRP A 41 -0.556 1.176 0.686 1.00 0.00 C ATOM 0 H TRP A 41 -2.843 -4.957 3.368 1.00 0.00 H new ATOM 0 HA TRP A 41 -1.327 -4.632 0.869 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.590 -4.077 3.771 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.399 -3.693 2.375 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.108 -2.732 3.799 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.634 -0.288 3.135 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.025 -1.828 0.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -2.415 1.721 1.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.278 0.388 -0.111 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -0.419 2.140 0.219 1.00 0.00 H new ATOM 618 N TYR A 42 0.103 -6.639 1.016 1.00 0.00 N ATOM 619 CA TYR A 42 0.872 -7.878 1.039 1.00 0.00 C ATOM 620 C TYR A 42 2.308 -7.636 0.586 1.00 0.00 C ATOM 621 O TYR A 42 2.579 -6.737 -0.209 1.00 0.00 O ATOM 622 CB TYR A 42 0.212 -8.928 0.143 1.00 0.00 C ATOM 623 CG TYR A 42 -1.163 -9.346 0.612 1.00 0.00 C ATOM 624 CD1 TYR A 42 -2.299 -8.667 0.190 1.00 0.00 C ATOM 625 CD2 TYR A 42 -1.326 -10.422 1.476 1.00 0.00 C ATOM 626 CE1 TYR A 42 -3.557 -9.046 0.616 1.00 0.00 C ATOM 627 CE2 TYR A 42 -2.580 -10.808 1.907 1.00 0.00 C ATOM 628 CZ TYR A 42 -3.693 -10.117 1.474 1.00 0.00 C ATOM 629 OH TYR A 42 -4.944 -10.499 1.900 1.00 0.00 O ATOM 0 H TYR A 42 0.121 -6.148 0.122 1.00 0.00 H new ATOM 0 HA TYR A 42 0.891 -8.246 2.065 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.137 -8.533 -0.870 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.854 -9.808 0.095 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.197 -7.828 -0.483 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -0.457 -10.966 1.816 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -4.430 -8.506 0.279 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -2.689 -11.646 2.579 1.00 0.00 H new ATOM 0 HH TYR A 42 -4.864 -11.271 2.499 1.00 0.00 H new ATOM 639 N LYS A 43 3.227 -8.448 1.099 1.00 0.00 N ATOM 640 CA LYS A 43 4.637 -8.326 0.748 1.00 0.00 C ATOM 641 C LYS A 43 5.212 -9.676 0.331 1.00 0.00 C ATOM 642 O LYS A 43 5.509 -10.522 1.173 1.00 0.00 O ATOM 643 CB LYS A 43 5.432 -7.765 1.930 1.00 0.00 C ATOM 644 CG LYS A 43 6.820 -7.279 1.553 1.00 0.00 C ATOM 645 CD LYS A 43 7.521 -6.625 2.732 1.00 0.00 C ATOM 646 CE LYS A 43 8.981 -6.332 2.420 1.00 0.00 C ATOM 647 NZ LYS A 43 9.732 -5.905 3.633 1.00 0.00 N ATOM 0 H LYS A 43 3.020 -9.198 1.759 1.00 0.00 H new ATOM 0 HA LYS A 43 4.718 -7.640 -0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.875 -6.939 2.373 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.521 -8.536 2.695 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.416 -8.119 1.194 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.746 -6.567 0.731 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.010 -5.698 2.992 1.00 0.00 H new ATOM 0 HD3 LYS A 43 7.458 -7.278 3.602 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.448 -7.222 1.998 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.041 -5.551 1.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 10.722 -5.715 3.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.302 -5.041 4.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.697 -6.660 4.347 1.00 0.00 H new ATOM 661 N ASN A 44 5.367 -9.870 -0.975 1.00 0.00 N ATOM 662 CA ASN A 44 5.908 -11.117 -1.504 1.00 0.00 C ATOM 663 C ASN A 44 4.982 -12.288 -1.189 1.00 0.00 C ATOM 664 O ASN A 44 5.436 -13.410 -0.971 1.00 0.00 O ATOM 665 CB ASN A 44 7.298 -11.381 -0.923 1.00 0.00 C ATOM 666 CG ASN A 44 8.294 -10.297 -1.289 1.00 0.00 C ATOM 667 OD1 ASN A 44 8.092 -9.123 -0.979 1.00 0.00 O ATOM 668 ND2 ASN A 44 9.375 -10.687 -1.954 1.00 0.00 N ATOM 0 H ASN A 44 5.126 -9.180 -1.686 1.00 0.00 H new ATOM 0 HA ASN A 44 5.987 -11.020 -2.587 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.227 -11.454 0.162 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.663 -12.343 -1.284 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.079 -10.002 -2.229 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.501 -11.671 -2.190 1.00 0.00 H new ATOM 675 N GLY A 45 3.680 -12.017 -1.169 1.00 0.00 N ATOM 676 CA GLY A 45 2.711 -13.058 -0.880 1.00 0.00 C ATOM 677 C GLY A 45 2.499 -13.256 0.607 1.00 0.00 C ATOM 678 O GLY A 45 2.110 -14.339 1.046 1.00 0.00 O ATOM 0 H GLY A 45 3.280 -11.096 -1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.760 -12.805 -1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.046 -13.995 -1.324 1.00 0.00 H new ATOM 682 N GLN A 46 2.755 -12.209 1.385 1.00 0.00 N ATOM 683 CA GLN A 46 2.592 -12.276 2.832 1.00 0.00 C ATOM 684 C GLN A 46 1.720 -11.129 3.335 1.00 0.00 C ATOM 685 O GLN A 46 1.899 -9.980 2.934 1.00 0.00 O ATOM 686 CB GLN A 46 3.956 -12.235 3.523 1.00 0.00 C ATOM 687 CG GLN A 46 3.869 -12.083 5.033 1.00 0.00 C ATOM 688 CD GLN A 46 3.812 -13.416 5.752 1.00 0.00 C ATOM 689 OE1 GLN A 46 3.920 -14.474 5.132 1.00 0.00 O ATOM 690 NE2 GLN A 46 3.641 -13.373 7.068 1.00 0.00 N ATOM 0 H GLN A 46 3.076 -11.305 1.038 1.00 0.00 H new ATOM 0 HA GLN A 46 2.098 -13.217 3.073 1.00 0.00 H new ATOM 0 HB2 GLN A 46 4.500 -13.150 3.289 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.536 -11.407 3.116 1.00 0.00 H new ATOM 0 HG2 GLN A 46 4.732 -11.520 5.388 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.983 -11.500 5.285 1.00 0.00 H new ATOM 0 HE21 GLN A 46 3.556 -12.474 7.542 1.00 0.00 H new ATOM 0 HE22 GLN A 46 3.595 -14.239 7.605 1.00 0.00 H new ATOM 699 N GLU A 47 0.777 -11.451 4.214 1.00 0.00 N ATOM 700 CA GLU A 47 -0.123 -10.447 4.770 1.00 0.00 C ATOM 701 C GLU A 47 0.618 -9.527 5.735 1.00 0.00 C ATOM 702 O GLU A 47 1.276 -9.989 6.668 1.00 0.00 O ATOM 703 CB GLU A 47 -1.294 -11.122 5.488 1.00 0.00 C ATOM 704 CG GLU A 47 -2.232 -10.143 6.175 1.00 0.00 C ATOM 705 CD GLU A 47 -3.188 -10.826 7.134 1.00 0.00 C ATOM 706 OE1 GLU A 47 -3.599 -11.969 6.848 1.00 0.00 O ATOM 707 OE2 GLU A 47 -3.524 -10.215 8.170 1.00 0.00 O ATOM 0 H GLU A 47 0.616 -12.398 4.556 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.509 -9.846 3.947 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.861 -11.710 4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.902 -11.818 6.230 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.644 -9.403 6.719 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.804 -9.603 5.420 1.00 0.00 H new ATOM 714 N ILE A 48 0.507 -8.223 5.503 1.00 0.00 N ATOM 715 CA ILE A 48 1.166 -7.238 6.352 1.00 0.00 C ATOM 716 C ILE A 48 0.262 -6.814 7.505 1.00 0.00 C ATOM 717 O ILE A 48 -0.923 -6.546 7.312 1.00 0.00 O ATOM 718 CB ILE A 48 1.576 -5.989 5.550 1.00 0.00 C ATOM 719 CG1 ILE A 48 2.451 -6.385 4.359 1.00 0.00 C ATOM 720 CG2 ILE A 48 2.307 -5.001 6.446 1.00 0.00 C ATOM 721 CD1 ILE A 48 2.643 -5.271 3.353 1.00 0.00 C ATOM 0 H ILE A 48 -0.033 -7.824 4.735 1.00 0.00 H new ATOM 0 HA ILE A 48 2.062 -7.714 6.752 1.00 0.00 H new ATOM 0 HB ILE A 48 0.675 -5.507 5.170 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.426 -6.705 4.726 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.002 -7.243 3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.590 -4.123 5.865 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.653 -4.699 7.264 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.202 -5.472 6.852 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.273 -5.623 2.536 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.674 -4.966 2.958 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.120 -4.420 3.839 1.00 0.00 H new ATOM 733 N ARG A 49 0.832 -6.754 8.704 1.00 0.00 N ATOM 734 CA ARG A 49 0.079 -6.362 9.889 1.00 0.00 C ATOM 735 C ARG A 49 0.483 -4.966 10.354 1.00 0.00 C ATOM 736 O ARG A 49 1.647 -4.572 10.274 1.00 0.00 O ATOM 737 CB ARG A 49 0.300 -7.371 11.018 1.00 0.00 C ATOM 738 CG ARG A 49 1.752 -7.490 11.451 1.00 0.00 C ATOM 739 CD ARG A 49 1.898 -8.394 12.666 1.00 0.00 C ATOM 740 NE ARG A 49 1.602 -7.690 13.911 1.00 0.00 N ATOM 741 CZ ARG A 49 1.418 -8.302 15.075 1.00 0.00 C ATOM 742 NH1 ARG A 49 1.499 -9.623 15.153 1.00 0.00 N ATOM 743 NH2 ARG A 49 1.152 -7.592 16.164 1.00 0.00 N ATOM 0 H ARG A 49 1.813 -6.972 8.880 1.00 0.00 H new ATOM 0 HA ARG A 49 -0.979 -6.347 9.627 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.304 -7.080 11.877 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.056 -8.349 10.695 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.347 -7.886 10.628 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.146 -6.501 11.683 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.229 -9.248 12.565 1.00 0.00 H new ATOM 0 HD3 ARG A 49 2.914 -8.788 12.705 1.00 0.00 H new ATOM 0 HE ARG A 49 1.533 -6.673 13.885 1.00 0.00 H new ATOM 0 HH11 ARG A 49 1.703 -10.172 14.318 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.357 -10.091 16.048 1.00 0.00 H new ATOM 0 HH21 ARG A 49 1.089 -6.576 16.107 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.011 -8.063 17.058 1.00 0.00 H new ATOM 757 N PRO A 50 -0.499 -4.199 10.849 1.00 0.00 N ATOM 758 CA PRO A 50 -0.269 -2.835 11.336 1.00 0.00 C ATOM 759 C PRO A 50 0.537 -2.810 12.630 1.00 0.00 C ATOM 760 O PRO A 50 0.110 -3.352 13.649 1.00 0.00 O ATOM 761 CB PRO A 50 -1.684 -2.302 11.577 1.00 0.00 C ATOM 762 CG PRO A 50 -2.511 -3.517 11.821 1.00 0.00 C ATOM 763 CD PRO A 50 -1.909 -4.604 10.973 1.00 0.00 C ATOM 0 HA PRO A 50 0.311 -2.242 10.629 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -1.712 -1.626 12.432 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -2.048 -1.742 10.716 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.498 -3.792 12.876 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.552 -3.342 11.550 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -2.006 -5.582 11.445 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.395 -4.670 10.000 1.00 0.00 H new ATOM 771 N SER A 51 1.704 -2.176 12.582 1.00 0.00 N ATOM 772 CA SER A 51 2.572 -2.083 13.750 1.00 0.00 C ATOM 773 C SER A 51 3.380 -0.789 13.725 1.00 0.00 C ATOM 774 O SER A 51 3.350 -0.042 12.746 1.00 0.00 O ATOM 775 CB SER A 51 3.516 -3.285 13.808 1.00 0.00 C ATOM 776 OG SER A 51 4.618 -3.111 12.935 1.00 0.00 O ATOM 0 H SER A 51 2.070 -1.719 11.747 1.00 0.00 H new ATOM 0 HA SER A 51 1.942 -2.081 14.640 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.874 -3.421 14.828 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.973 -4.191 13.538 1.00 0.00 H new ATOM 0 HG SER A 51 5.207 -3.892 12.992 1.00 0.00 H new ATOM 782 N THR A 52 4.103 -0.528 14.810 1.00 0.00 N ATOM 783 CA THR A 52 4.918 0.675 14.914 1.00 0.00 C ATOM 784 C THR A 52 5.632 0.972 13.600 1.00 0.00 C ATOM 785 O THR A 52 5.872 2.130 13.259 1.00 0.00 O ATOM 786 CB THR A 52 5.966 0.548 16.037 1.00 0.00 C ATOM 787 OG1 THR A 52 5.328 0.165 17.260 1.00 0.00 O ATOM 788 CG2 THR A 52 6.708 1.861 16.235 1.00 0.00 C ATOM 0 H THR A 52 4.140 -1.135 15.629 1.00 0.00 H new ATOM 0 HA THR A 52 4.241 1.496 15.149 1.00 0.00 H new ATOM 0 HB THR A 52 6.686 -0.218 15.748 1.00 0.00 H new ATOM 0 HG1 THR A 52 6.000 0.085 17.968 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.442 1.747 17.032 1.00 0.00 H new ATOM 0 HG22 THR A 52 7.216 2.135 15.310 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.998 2.643 16.504 1.00 0.00 H new ATOM 796 N LYS A 53 5.968 -0.082 12.864 1.00 0.00 N ATOM 797 CA LYS A 53 6.653 0.064 11.585 1.00 0.00 C ATOM 798 C LYS A 53 5.670 0.442 10.482 1.00 0.00 C ATOM 799 O LYS A 53 5.971 1.276 9.628 1.00 0.00 O ATOM 800 CB LYS A 53 7.374 -1.234 11.218 1.00 0.00 C ATOM 801 CG LYS A 53 8.167 -1.145 9.925 1.00 0.00 C ATOM 802 CD LYS A 53 9.086 -2.343 9.751 1.00 0.00 C ATOM 803 CE LYS A 53 8.375 -3.493 9.055 1.00 0.00 C ATOM 804 NZ LYS A 53 9.099 -4.782 9.235 1.00 0.00 N ATOM 0 H LYS A 53 5.777 -1.048 13.132 1.00 0.00 H new ATOM 0 HA LYS A 53 7.387 0.864 11.683 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.048 -1.507 12.030 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.640 -2.035 11.130 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.481 -1.086 9.080 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.757 -0.229 9.921 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.961 -2.050 9.171 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.445 -2.672 10.726 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.363 -3.586 9.449 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.284 -3.273 7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.583 -5.541 8.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.056 -4.701 8.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.164 -5.005 10.249 1.00 0.00 H new ATOM 818 N TYR A 54 4.494 -0.175 10.507 1.00 0.00 N ATOM 819 CA TYR A 54 3.467 0.095 9.508 1.00 0.00 C ATOM 820 C TYR A 54 2.387 1.014 10.072 1.00 0.00 C ATOM 821 O TYR A 54 1.651 0.636 10.985 1.00 0.00 O ATOM 822 CB TYR A 54 2.838 -1.213 9.025 1.00 0.00 C ATOM 823 CG TYR A 54 3.830 -2.164 8.395 1.00 0.00 C ATOM 824 CD1 TYR A 54 4.415 -1.877 7.167 1.00 0.00 C ATOM 825 CD2 TYR A 54 4.182 -3.351 9.026 1.00 0.00 C ATOM 826 CE1 TYR A 54 5.321 -2.744 6.588 1.00 0.00 C ATOM 827 CE2 TYR A 54 5.088 -4.223 8.455 1.00 0.00 C ATOM 828 CZ TYR A 54 5.655 -3.915 7.236 1.00 0.00 C ATOM 829 OH TYR A 54 6.557 -4.782 6.662 1.00 0.00 O ATOM 0 H TYR A 54 4.228 -0.866 11.209 1.00 0.00 H new ATOM 0 HA TYR A 54 3.941 0.596 8.664 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.357 -1.709 9.868 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.056 -0.985 8.301 1.00 0.00 H new ATOM 0 HD1 TYR A 54 4.157 -0.961 6.657 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.739 -3.596 9.980 1.00 0.00 H new ATOM 0 HE1 TYR A 54 5.766 -2.506 5.633 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.351 -5.141 8.960 1.00 0.00 H new ATOM 0 HH TYR A 54 6.683 -5.558 7.247 1.00 0.00 H new ATOM 839 N ILE A 55 2.299 2.220 9.523 1.00 0.00 N ATOM 840 CA ILE A 55 1.308 3.192 9.969 1.00 0.00 C ATOM 841 C ILE A 55 0.123 3.248 9.011 1.00 0.00 C ATOM 842 O ILE A 55 0.206 3.846 7.938 1.00 0.00 O ATOM 843 CB ILE A 55 1.919 4.600 10.096 1.00 0.00 C ATOM 844 CG1 ILE A 55 3.289 4.526 10.774 1.00 0.00 C ATOM 845 CG2 ILE A 55 0.985 5.514 10.875 1.00 0.00 C ATOM 846 CD1 ILE A 55 3.221 4.125 12.230 1.00 0.00 C ATOM 0 H ILE A 55 2.902 2.548 8.768 1.00 0.00 H new ATOM 0 HA ILE A 55 0.963 2.865 10.950 1.00 0.00 H new ATOM 0 HB ILE A 55 2.051 5.014 9.097 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.913 3.811 10.237 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.777 5.497 10.695 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.431 6.505 10.956 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.030 5.587 10.355 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.824 5.105 11.873 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.228 4.093 12.646 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.624 4.852 12.780 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.762 3.140 12.315 1.00 0.00 H new ATOM 858 N PHE A 56 -0.981 2.624 9.407 1.00 0.00 N ATOM 859 CA PHE A 56 -2.185 2.603 8.584 1.00 0.00 C ATOM 860 C PHE A 56 -3.031 3.850 8.827 1.00 0.00 C ATOM 861 O PHE A 56 -3.524 4.072 9.932 1.00 0.00 O ATOM 862 CB PHE A 56 -3.009 1.349 8.879 1.00 0.00 C ATOM 863 CG PHE A 56 -2.479 0.112 8.211 1.00 0.00 C ATOM 864 CD1 PHE A 56 -1.224 -0.380 8.530 1.00 0.00 C ATOM 865 CD2 PHE A 56 -3.236 -0.557 7.262 1.00 0.00 C ATOM 866 CE1 PHE A 56 -0.734 -1.518 7.917 1.00 0.00 C ATOM 867 CE2 PHE A 56 -2.751 -1.695 6.646 1.00 0.00 C ATOM 868 CZ PHE A 56 -1.498 -2.176 6.973 1.00 0.00 C ATOM 0 H PHE A 56 -1.067 2.126 10.293 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.879 2.590 7.538 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.036 1.187 9.957 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.037 1.515 8.556 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.621 0.131 9.266 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.216 -0.185 7.001 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.245 -1.892 8.176 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -3.351 -2.208 5.909 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.117 -3.064 6.492 1.00 0.00 H new ATOM 878 N GLU A 57 -3.192 4.660 7.785 1.00 0.00 N ATOM 879 CA GLU A 57 -3.977 5.885 7.886 1.00 0.00 C ATOM 880 C GLU A 57 -5.073 5.918 6.825 1.00 0.00 C ATOM 881 O GLU A 57 -4.916 5.365 5.736 1.00 0.00 O ATOM 882 CB GLU A 57 -3.072 7.111 7.737 1.00 0.00 C ATOM 883 CG GLU A 57 -1.957 7.173 8.768 1.00 0.00 C ATOM 884 CD GLU A 57 -1.370 8.563 8.909 1.00 0.00 C ATOM 885 OE1 GLU A 57 -1.467 9.348 7.942 1.00 0.00 O ATOM 886 OE2 GLU A 57 -0.812 8.867 9.984 1.00 0.00 O ATOM 0 H GLU A 57 -2.790 4.490 6.863 1.00 0.00 H new ATOM 0 HA GLU A 57 -4.446 5.905 8.870 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.633 7.109 6.739 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.680 8.013 7.816 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.342 6.845 9.734 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.168 6.476 8.486 1.00 0.00 H new ATOM 893 N HIS A 58 -6.185 6.569 7.152 1.00 0.00 N ATOM 894 CA HIS A 58 -7.309 6.674 6.228 1.00 0.00 C ATOM 895 C HIS A 58 -7.873 8.092 6.217 1.00 0.00 C ATOM 896 O HIS A 58 -8.216 8.643 7.263 1.00 0.00 O ATOM 897 CB HIS A 58 -8.405 5.680 6.610 1.00 0.00 C ATOM 898 CG HIS A 58 -9.405 6.233 7.579 1.00 0.00 C ATOM 899 ND1 HIS A 58 -9.259 6.137 8.947 1.00 0.00 N ATOM 900 CD2 HIS A 58 -10.568 6.892 7.371 1.00 0.00 C ATOM 901 CE1 HIS A 58 -10.291 6.713 9.538 1.00 0.00 C ATOM 902 NE2 HIS A 58 -11.100 7.179 8.604 1.00 0.00 N ATOM 0 H HIS A 58 -6.332 7.031 8.049 1.00 0.00 H new ATOM 0 HA HIS A 58 -6.948 6.438 5.227 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -8.925 5.360 5.707 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -7.944 4.792 7.043 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -10.998 7.145 6.413 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -10.446 6.790 10.604 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -11.977 7.672 8.771 1.00 0.00 H new ATOM 911 N LYS A 59 -7.965 8.678 5.028 1.00 0.00 N ATOM 912 CA LYS A 59 -8.487 10.031 4.880 1.00 0.00 C ATOM 913 C LYS A 59 -9.396 10.133 3.659 1.00 0.00 C ATOM 914 O LYS A 59 -8.927 10.135 2.522 1.00 0.00 O ATOM 915 CB LYS A 59 -7.337 11.033 4.757 1.00 0.00 C ATOM 916 CG LYS A 59 -6.598 11.274 6.063 1.00 0.00 C ATOM 917 CD LYS A 59 -5.558 12.373 5.920 1.00 0.00 C ATOM 918 CE LYS A 59 -4.209 11.812 5.497 1.00 0.00 C ATOM 919 NZ LYS A 59 -4.101 11.686 4.017 1.00 0.00 N ATOM 0 H LYS A 59 -7.685 8.236 4.152 1.00 0.00 H new ATOM 0 HA LYS A 59 -9.073 10.266 5.768 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.630 10.672 4.010 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.730 11.982 4.391 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.311 11.546 6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.113 10.352 6.383 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.897 13.102 5.184 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.453 12.901 6.868 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.414 12.461 5.865 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.062 10.835 5.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.819 10.716 3.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.021 11.900 3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.387 12.355 3.663 1.00 0.00 H new ATOM 933 N GLY A 60 -10.700 10.218 3.903 1.00 0.00 N ATOM 934 CA GLY A 60 -11.654 10.320 2.814 1.00 0.00 C ATOM 935 C GLY A 60 -11.386 9.314 1.712 1.00 0.00 C ATOM 936 O GLY A 60 -10.546 9.546 0.842 1.00 0.00 O ATOM 0 H GLY A 60 -11.113 10.218 4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.661 10.169 3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.620 11.327 2.398 1.00 0.00 H new ATOM 940 N CYS A 61 -12.098 8.194 1.750 1.00 0.00 N ATOM 941 CA CYS A 61 -11.931 7.147 0.748 1.00 0.00 C ATOM 942 C CYS A 61 -10.478 7.057 0.294 1.00 0.00 C ATOM 943 O CYS A 61 -10.193 7.031 -0.903 1.00 0.00 O ATOM 944 CB CYS A 61 -12.839 7.413 -0.454 1.00 0.00 C ATOM 945 SG CYS A 61 -14.553 7.788 -0.016 1.00 0.00 S ATOM 0 H CYS A 61 -12.797 7.987 2.464 1.00 0.00 H new ATOM 0 HA CYS A 61 -12.211 6.196 1.201 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -12.431 8.246 -1.027 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -12.825 6.540 -1.107 1.00 0.00 H new ATOM 0 HG CYS A 61 -15.241 8.000 -1.098 1.00 0.00 H new ATOM 951 N GLN A 62 -9.564 7.011 1.257 1.00 0.00 N ATOM 952 CA GLN A 62 -8.140 6.927 0.955 1.00 0.00 C ATOM 953 C GLN A 62 -7.406 6.110 2.014 1.00 0.00 C ATOM 954 O GLN A 62 -7.728 6.182 3.200 1.00 0.00 O ATOM 955 CB GLN A 62 -7.532 8.327 0.863 1.00 0.00 C ATOM 956 CG GLN A 62 -6.205 8.367 0.122 1.00 0.00 C ATOM 957 CD GLN A 62 -5.297 9.478 0.612 1.00 0.00 C ATOM 958 OE1 GLN A 62 -4.072 9.357 0.573 1.00 0.00 O ATOM 959 NE2 GLN A 62 -5.894 10.570 1.076 1.00 0.00 N ATOM 0 H GLN A 62 -9.784 7.030 2.253 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.028 6.426 -0.007 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.239 8.989 0.362 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.388 8.718 1.870 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.698 7.409 0.240 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.392 8.499 -0.944 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.912 10.628 1.090 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.334 11.351 1.418 1.00 0.00 H new ATOM 968 N ARG A 63 -6.420 5.334 1.578 1.00 0.00 N ATOM 969 CA ARG A 63 -5.642 4.503 2.488 1.00 0.00 C ATOM 970 C ARG A 63 -4.146 4.704 2.263 1.00 0.00 C ATOM 971 O ARG A 63 -3.637 4.473 1.166 1.00 0.00 O ATOM 972 CB ARG A 63 -6.003 3.028 2.301 1.00 0.00 C ATOM 973 CG ARG A 63 -7.324 2.639 2.944 1.00 0.00 C ATOM 974 CD ARG A 63 -7.219 2.609 4.460 1.00 0.00 C ATOM 975 NE ARG A 63 -8.290 1.824 5.068 1.00 0.00 N ATOM 976 CZ ARG A 63 -8.352 1.546 6.366 1.00 0.00 C ATOM 977 NH1 ARG A 63 -7.411 1.989 7.188 1.00 0.00 N ATOM 978 NH2 ARG A 63 -9.359 0.826 6.844 1.00 0.00 N ATOM 0 H ARG A 63 -6.141 5.263 0.600 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.882 4.802 3.508 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.048 2.806 1.235 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -5.208 2.412 2.722 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.097 3.347 2.646 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.632 1.659 2.580 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.255 2.191 4.748 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -7.253 3.628 4.846 1.00 0.00 H new ATOM 0 HE ARG A 63 -9.031 1.470 4.463 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -6.637 2.545 6.825 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -7.461 1.774 8.184 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -10.086 0.485 6.215 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.406 0.613 7.840 1.00 0.00 H new ATOM 992 N ILE A 64 -3.448 5.134 3.309 1.00 0.00 N ATOM 993 CA ILE A 64 -2.011 5.365 3.226 1.00 0.00 C ATOM 994 C ILE A 64 -1.242 4.351 4.066 1.00 0.00 C ATOM 995 O ILE A 64 -1.764 3.816 5.045 1.00 0.00 O ATOM 996 CB ILE A 64 -1.642 6.786 3.690 1.00 0.00 C ATOM 997 CG1 ILE A 64 -2.613 7.809 3.097 1.00 0.00 C ATOM 998 CG2 ILE A 64 -0.210 7.116 3.296 1.00 0.00 C ATOM 999 CD1 ILE A 64 -3.832 8.055 3.958 1.00 0.00 C ATOM 0 H ILE A 64 -3.854 5.329 4.224 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.732 5.250 2.178 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.719 6.829 4.776 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.088 8.752 2.947 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.936 7.465 2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.036 8.124 3.631 1.00 0.00 H new ATOM 0 HG22 ILE A 64 0.469 6.402 3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.108 7.059 2.212 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.476 8.791 3.476 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.381 7.122 4.087 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.519 8.430 4.933 1.00 0.00 H new ATOM 1011 N LEU A 65 0.002 4.093 3.678 1.00 0.00 N ATOM 1012 CA LEU A 65 0.846 3.144 4.397 1.00 0.00 C ATOM 1013 C LEU A 65 2.276 3.663 4.508 1.00 0.00 C ATOM 1014 O LEU A 65 2.893 4.032 3.508 1.00 0.00 O ATOM 1015 CB LEU A 65 0.837 1.787 3.691 1.00 0.00 C ATOM 1016 CG LEU A 65 1.604 0.663 4.387 1.00 0.00 C ATOM 1017 CD1 LEU A 65 3.097 0.951 4.379 1.00 0.00 C ATOM 1018 CD2 LEU A 65 1.103 0.478 5.812 1.00 0.00 C ATOM 0 H LEU A 65 0.449 4.527 2.870 1.00 0.00 H new ATOM 0 HA LEU A 65 0.443 3.026 5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.199 1.471 3.568 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.251 1.917 2.691 1.00 0.00 H new ATOM 0 HG LEU A 65 1.430 -0.263 3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.627 0.140 4.879 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.446 1.033 3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.290 1.887 4.903 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.660 -0.326 6.292 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.246 1.403 6.371 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.043 0.225 5.795 1.00 0.00 H new ATOM 1030 N PHE A 66 2.798 3.686 5.730 1.00 0.00 N ATOM 1031 CA PHE A 66 4.156 4.158 5.972 1.00 0.00 C ATOM 1032 C PHE A 66 5.023 3.045 6.553 1.00 0.00 C ATOM 1033 O PHE A 66 4.572 2.268 7.394 1.00 0.00 O ATOM 1034 CB PHE A 66 4.140 5.357 6.923 1.00 0.00 C ATOM 1035 CG PHE A 66 3.494 6.579 6.337 1.00 0.00 C ATOM 1036 CD1 PHE A 66 4.198 7.405 5.475 1.00 0.00 C ATOM 1037 CD2 PHE A 66 2.183 6.902 6.646 1.00 0.00 C ATOM 1038 CE1 PHE A 66 3.605 8.531 4.934 1.00 0.00 C ATOM 1039 CE2 PHE A 66 1.585 8.026 6.108 1.00 0.00 C ATOM 1040 CZ PHE A 66 2.297 8.841 5.251 1.00 0.00 C ATOM 0 H PHE A 66 2.301 3.383 6.568 1.00 0.00 H new ATOM 0 HA PHE A 66 4.583 4.466 5.017 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.613 5.079 7.836 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.164 5.598 7.208 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.221 7.167 5.223 1.00 0.00 H new ATOM 0 HD2 PHE A 66 1.621 6.268 7.316 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.164 9.167 4.264 1.00 0.00 H new ATOM 0 HE2 PHE A 66 0.562 8.266 6.358 1.00 0.00 H new ATOM 0 HZ PHE A 66 1.832 9.720 4.829 1.00 0.00 H new ATOM 1050 N ILE A 67 6.269 2.975 6.096 1.00 0.00 N ATOM 1051 CA ILE A 67 7.200 1.959 6.570 1.00 0.00 C ATOM 1052 C ILE A 67 8.505 2.587 7.046 1.00 0.00 C ATOM 1053 O ILE A 67 9.370 2.932 6.242 1.00 0.00 O ATOM 1054 CB ILE A 67 7.512 0.925 5.472 1.00 0.00 C ATOM 1055 CG1 ILE A 67 6.216 0.319 4.929 1.00 0.00 C ATOM 1056 CG2 ILE A 67 8.426 -0.164 6.013 1.00 0.00 C ATOM 1057 CD1 ILE A 67 6.415 -0.518 3.684 1.00 0.00 C ATOM 0 H ILE A 67 6.657 3.610 5.398 1.00 0.00 H new ATOM 0 HA ILE A 67 6.716 1.455 7.406 1.00 0.00 H new ATOM 0 HB ILE A 67 8.026 1.430 4.654 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.761 -0.299 5.703 1.00 0.00 H new ATOM 0 HG13 ILE A 67 5.513 1.123 4.708 1.00 0.00 H new ATOM 0 HG21 ILE A 67 8.637 -0.887 5.225 1.00 0.00 H new ATOM 0 HG22 ILE A 67 9.360 0.282 6.356 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.937 -0.668 6.846 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.455 -0.915 3.355 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.841 0.100 2.894 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.093 -1.343 3.905 1.00 0.00 H new ATOM 1069 N ASN A 68 8.641 2.732 8.361 1.00 0.00 N ATOM 1070 CA ASN A 68 9.842 3.318 8.945 1.00 0.00 C ATOM 1071 C ASN A 68 11.009 2.336 8.889 1.00 0.00 C ATOM 1072 O ASN A 68 10.811 1.127 8.779 1.00 0.00 O ATOM 1073 CB ASN A 68 9.579 3.732 10.394 1.00 0.00 C ATOM 1074 CG ASN A 68 8.690 4.957 10.493 1.00 0.00 C ATOM 1075 OD1 ASN A 68 9.107 6.068 10.168 1.00 0.00 O ATOM 1076 ND2 ASN A 68 7.457 4.757 10.944 1.00 0.00 N ATOM 0 H ASN A 68 7.935 2.452 9.041 1.00 0.00 H new ATOM 0 HA ASN A 68 10.105 4.201 8.363 1.00 0.00 H new ATOM 0 HB2 ASN A 68 9.112 2.904 10.927 1.00 0.00 H new ATOM 0 HB3 ASN A 68 10.529 3.935 10.889 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.813 5.543 11.033 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.154 3.818 11.202 1.00 0.00 H new ATOM 1083 N ASN A 69 12.225 2.867 8.965 1.00 0.00 N ATOM 1084 CA ASN A 69 13.424 2.038 8.923 1.00 0.00 C ATOM 1085 C ASN A 69 13.569 1.359 7.564 1.00 0.00 C ATOM 1086 O ASN A 69 13.769 0.147 7.482 1.00 0.00 O ATOM 1087 CB ASN A 69 13.380 0.983 10.030 1.00 0.00 C ATOM 1088 CG ASN A 69 13.191 1.595 11.404 1.00 0.00 C ATOM 1089 OD1 ASN A 69 13.927 2.498 11.800 1.00 0.00 O ATOM 1090 ND2 ASN A 69 12.200 1.104 12.140 1.00 0.00 N ATOM 0 H ASN A 69 12.406 3.867 9.056 1.00 0.00 H new ATOM 0 HA ASN A 69 14.287 2.684 9.081 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.567 0.285 9.831 1.00 0.00 H new ATOM 0 HB3 ASN A 69 14.305 0.407 10.016 1.00 0.00 H new ATOM 0 HD21 ASN A 69 12.025 1.476 13.073 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.614 0.355 11.772 1.00 0.00 H new ATOM 1097 N CYS A 70 13.468 2.149 6.501 1.00 0.00 N ATOM 1098 CA CYS A 70 13.588 1.625 5.145 1.00 0.00 C ATOM 1099 C CYS A 70 15.021 1.194 4.853 1.00 0.00 C ATOM 1100 O CYS A 70 15.881 2.025 4.562 1.00 0.00 O ATOM 1101 CB CYS A 70 13.142 2.677 4.128 1.00 0.00 C ATOM 1102 SG CYS A 70 11.373 3.051 4.180 1.00 0.00 S ATOM 0 H CYS A 70 13.303 3.154 6.552 1.00 0.00 H new ATOM 0 HA CYS A 70 12.941 0.752 5.061 1.00 0.00 H new ATOM 0 HB2 CYS A 70 13.702 3.596 4.302 1.00 0.00 H new ATOM 0 HB3 CYS A 70 13.400 2.332 3.127 1.00 0.00 H new ATOM 0 HG CYS A 70 10.948 2.968 5.406 1.00 0.00 H new ATOM 1108 N GLN A 71 15.270 -0.109 4.935 1.00 0.00 N ATOM 1109 CA GLN A 71 16.600 -0.650 4.682 1.00 0.00 C ATOM 1110 C GLN A 71 16.631 -1.426 3.370 1.00 0.00 C ATOM 1111 O GLN A 71 15.588 -1.739 2.797 1.00 0.00 O ATOM 1112 CB GLN A 71 17.033 -1.556 5.835 1.00 0.00 C ATOM 1113 CG GLN A 71 18.539 -1.748 5.926 1.00 0.00 C ATOM 1114 CD GLN A 71 19.305 -0.453 5.737 1.00 0.00 C ATOM 1115 OE1 GLN A 71 20.098 -0.318 4.805 1.00 0.00 O ATOM 1116 NE2 GLN A 71 19.070 0.508 6.622 1.00 0.00 N ATOM 0 H GLN A 71 14.568 -0.809 5.175 1.00 0.00 H new ATOM 0 HA GLN A 71 17.296 0.185 4.605 1.00 0.00 H new ATOM 0 HB2 GLN A 71 16.672 -1.134 6.773 1.00 0.00 H new ATOM 0 HB3 GLN A 71 16.557 -2.530 5.719 1.00 0.00 H new ATOM 0 HG2 GLN A 71 18.789 -2.175 6.897 1.00 0.00 H new ATOM 0 HG3 GLN A 71 18.856 -2.467 5.170 1.00 0.00 H new ATOM 0 HE21 GLN A 71 18.404 0.353 7.379 1.00 0.00 H new ATOM 0 HE22 GLN A 71 19.555 1.402 6.545 1.00 0.00 H new ATOM 1125 N MET A 72 17.835 -1.735 2.899 1.00 0.00 N ATOM 1126 CA MET A 72 18.002 -2.476 1.654 1.00 0.00 C ATOM 1127 C MET A 72 17.019 -3.641 1.580 1.00 0.00 C ATOM 1128 O MET A 72 16.388 -3.870 0.547 1.00 0.00 O ATOM 1129 CB MET A 72 19.436 -2.995 1.533 1.00 0.00 C ATOM 1130 CG MET A 72 19.790 -3.480 0.136 1.00 0.00 C ATOM 1131 SD MET A 72 19.630 -2.187 -1.110 1.00 0.00 S ATOM 1132 CE MET A 72 20.744 -0.946 -0.456 1.00 0.00 C ATOM 0 H MET A 72 18.709 -1.484 3.361 1.00 0.00 H new ATOM 0 HA MET A 72 17.798 -1.798 0.826 1.00 0.00 H new ATOM 0 HB2 MET A 72 20.126 -2.202 1.819 1.00 0.00 H new ATOM 0 HB3 MET A 72 19.579 -3.812 2.240 1.00 0.00 H new ATOM 0 HG2 MET A 72 20.813 -3.856 0.135 1.00 0.00 H new ATOM 0 HG3 MET A 72 19.143 -4.316 -0.129 1.00 0.00 H new ATOM 0 HE1 MET A 72 20.990 -0.229 -1.239 1.00 0.00 H new ATOM 0 HE2 MET A 72 20.264 -0.427 0.373 1.00 0.00 H new ATOM 0 HE3 MET A 72 21.657 -1.426 -0.104 1.00 0.00 H new ATOM 1142 N THR A 73 16.894 -4.375 2.681 1.00 0.00 N ATOM 1143 CA THR A 73 15.990 -5.517 2.739 1.00 0.00 C ATOM 1144 C THR A 73 14.545 -5.086 2.510 1.00 0.00 C ATOM 1145 O THR A 73 13.748 -5.832 1.940 1.00 0.00 O ATOM 1146 CB THR A 73 16.088 -6.243 4.094 1.00 0.00 C ATOM 1147 OG1 THR A 73 15.847 -5.320 5.163 1.00 0.00 O ATOM 1148 CG2 THR A 73 17.458 -6.881 4.268 1.00 0.00 C ATOM 0 H THR A 73 17.407 -4.199 3.545 1.00 0.00 H new ATOM 0 HA THR A 73 16.293 -6.201 1.946 1.00 0.00 H new ATOM 0 HB THR A 73 15.333 -7.029 4.116 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.909 -5.790 6.021 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.504 -7.388 5.232 1.00 0.00 H new ATOM 0 HG22 THR A 73 17.627 -7.604 3.470 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.227 -6.109 4.227 1.00 0.00 H new ATOM 1156 N ASP A 74 14.214 -3.880 2.957 1.00 0.00 N ATOM 1157 CA ASP A 74 12.865 -3.349 2.799 1.00 0.00 C ATOM 1158 C ASP A 74 12.455 -3.337 1.330 1.00 0.00 C ATOM 1159 O ASP A 74 11.338 -3.722 0.984 1.00 0.00 O ATOM 1160 CB ASP A 74 12.779 -1.936 3.377 1.00 0.00 C ATOM 1161 CG ASP A 74 11.354 -1.424 3.445 1.00 0.00 C ATOM 1162 OD1 ASP A 74 10.449 -2.227 3.756 1.00 0.00 O ATOM 1163 OD2 ASP A 74 11.143 -0.220 3.188 1.00 0.00 O ATOM 0 H ASP A 74 14.862 -3.251 3.432 1.00 0.00 H new ATOM 0 HA ASP A 74 12.179 -3.998 3.344 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.213 -1.929 4.377 1.00 0.00 H new ATOM 0 HB3 ASP A 74 13.376 -1.260 2.766 1.00 0.00 H new ATOM 1168 N ASP A 75 13.365 -2.891 0.471 1.00 0.00 N ATOM 1169 CA ASP A 75 13.098 -2.829 -0.962 1.00 0.00 C ATOM 1170 C ASP A 75 12.507 -4.143 -1.462 1.00 0.00 C ATOM 1171 O ASP A 75 13.234 -5.039 -1.890 1.00 0.00 O ATOM 1172 CB ASP A 75 14.382 -2.508 -1.728 1.00 0.00 C ATOM 1173 CG ASP A 75 14.388 -3.103 -3.122 1.00 0.00 C ATOM 1174 OD1 ASP A 75 13.297 -3.236 -3.715 1.00 0.00 O ATOM 1175 OD2 ASP A 75 15.484 -3.436 -3.621 1.00 0.00 O ATOM 0 H ASP A 75 14.294 -2.567 0.741 1.00 0.00 H new ATOM 0 HA ASP A 75 12.372 -2.035 -1.137 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.500 -1.427 -1.797 1.00 0.00 H new ATOM 0 HB3 ASP A 75 15.239 -2.887 -1.171 1.00 0.00 H new ATOM 1180 N SER A 76 11.183 -4.250 -1.404 1.00 0.00 N ATOM 1181 CA SER A 76 10.494 -5.457 -1.847 1.00 0.00 C ATOM 1182 C SER A 76 9.261 -5.106 -2.674 1.00 0.00 C ATOM 1183 O SER A 76 8.864 -3.944 -2.753 1.00 0.00 O ATOM 1184 CB SER A 76 10.089 -6.309 -0.643 1.00 0.00 C ATOM 1185 OG SER A 76 10.092 -7.688 -0.970 1.00 0.00 O ATOM 0 H SER A 76 10.567 -3.516 -1.055 1.00 0.00 H new ATOM 0 HA SER A 76 11.179 -6.028 -2.473 1.00 0.00 H new ATOM 0 HB2 SER A 76 10.776 -6.126 0.183 1.00 0.00 H new ATOM 0 HB3 SER A 76 9.096 -6.015 -0.303 1.00 0.00 H new ATOM 0 HG SER A 76 9.175 -7.983 -1.152 1.00 0.00 H new ATOM 1191 N GLU A 77 8.660 -6.120 -3.289 1.00 0.00 N ATOM 1192 CA GLU A 77 7.473 -5.919 -4.111 1.00 0.00 C ATOM 1193 C GLU A 77 6.217 -5.857 -3.246 1.00 0.00 C ATOM 1194 O GLU A 77 6.008 -6.701 -2.375 1.00 0.00 O ATOM 1195 CB GLU A 77 7.342 -7.042 -5.141 1.00 0.00 C ATOM 1196 CG GLU A 77 6.650 -8.284 -4.602 1.00 0.00 C ATOM 1197 CD GLU A 77 7.073 -9.547 -5.326 1.00 0.00 C ATOM 1198 OE1 GLU A 77 8.247 -9.948 -5.185 1.00 0.00 O ATOM 1199 OE2 GLU A 77 6.228 -10.135 -6.034 1.00 0.00 O ATOM 0 H GLU A 77 8.976 -7.088 -3.233 1.00 0.00 H new ATOM 0 HA GLU A 77 7.581 -4.969 -4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 77 6.786 -6.671 -6.002 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.335 -7.315 -5.497 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.872 -8.387 -3.540 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.571 -8.162 -4.692 1.00 0.00 H new ATOM 1206 N TYR A 78 5.384 -4.852 -3.494 1.00 0.00 N ATOM 1207 CA TYR A 78 4.151 -4.677 -2.737 1.00 0.00 C ATOM 1208 C TYR A 78 2.940 -4.657 -3.665 1.00 0.00 C ATOM 1209 O TYR A 78 3.002 -4.123 -4.773 1.00 0.00 O ATOM 1210 CB TYR A 78 4.205 -3.383 -1.924 1.00 0.00 C ATOM 1211 CG TYR A 78 5.399 -3.298 -1.000 1.00 0.00 C ATOM 1212 CD1 TYR A 78 6.634 -2.864 -1.466 1.00 0.00 C ATOM 1213 CD2 TYR A 78 5.292 -3.653 0.339 1.00 0.00 C ATOM 1214 CE1 TYR A 78 7.728 -2.786 -0.626 1.00 0.00 C ATOM 1215 CE2 TYR A 78 6.380 -3.576 1.187 1.00 0.00 C ATOM 1216 CZ TYR A 78 7.596 -3.142 0.700 1.00 0.00 C ATOM 1217 OH TYR A 78 8.682 -3.066 1.541 1.00 0.00 O ATOM 0 H TYR A 78 5.541 -4.146 -4.214 1.00 0.00 H new ATOM 0 HA TYR A 78 4.051 -5.522 -2.056 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.224 -2.535 -2.608 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.293 -3.296 -1.334 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.741 -2.583 -2.503 1.00 0.00 H new ATOM 0 HD2 TYR A 78 4.342 -3.995 0.723 1.00 0.00 H new ATOM 0 HE1 TYR A 78 8.681 -2.448 -1.005 1.00 0.00 H new ATOM 0 HE2 TYR A 78 6.279 -3.854 2.226 1.00 0.00 H new ATOM 0 HH TYR A 78 9.480 -3.394 1.076 1.00 0.00 H new ATOM 1227 N TYR A 79 1.840 -5.241 -3.205 1.00 0.00 N ATOM 1228 CA TYR A 79 0.614 -5.293 -3.993 1.00 0.00 C ATOM 1229 C TYR A 79 -0.615 -5.266 -3.091 1.00 0.00 C ATOM 1230 O TYR A 79 -0.749 -6.081 -2.178 1.00 0.00 O ATOM 1231 CB TYR A 79 0.595 -6.551 -4.863 1.00 0.00 C ATOM 1232 CG TYR A 79 0.229 -7.807 -4.103 1.00 0.00 C ATOM 1233 CD1 TYR A 79 1.203 -8.569 -3.471 1.00 0.00 C ATOM 1234 CD2 TYR A 79 -1.092 -8.229 -4.017 1.00 0.00 C ATOM 1235 CE1 TYR A 79 0.873 -9.717 -2.777 1.00 0.00 C ATOM 1236 CE2 TYR A 79 -1.431 -9.375 -3.324 1.00 0.00 C ATOM 1237 CZ TYR A 79 -0.445 -10.116 -2.706 1.00 0.00 C ATOM 1238 OH TYR A 79 -0.778 -11.258 -2.014 1.00 0.00 O ATOM 0 H TYR A 79 1.772 -5.686 -2.290 1.00 0.00 H new ATOM 0 HA TYR A 79 0.589 -4.414 -4.637 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.116 -6.409 -5.677 1.00 0.00 H new ATOM 0 HB3 TYR A 79 1.577 -6.684 -5.317 1.00 0.00 H new ATOM 0 HD1 TYR A 79 2.236 -8.259 -3.523 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.867 -7.652 -4.500 1.00 0.00 H new ATOM 0 HE1 TYR A 79 1.643 -10.299 -2.293 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -2.463 -9.689 -3.266 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.977 -11.029 -1.082 1.00 0.00 H new ATOM 1248 N VAL A 80 -1.514 -4.322 -3.354 1.00 0.00 N ATOM 1249 CA VAL A 80 -2.734 -4.188 -2.568 1.00 0.00 C ATOM 1250 C VAL A 80 -3.943 -4.707 -3.338 1.00 0.00 C ATOM 1251 O VAL A 80 -4.018 -4.578 -4.560 1.00 0.00 O ATOM 1252 CB VAL A 80 -2.986 -2.722 -2.167 1.00 0.00 C ATOM 1253 CG1 VAL A 80 -3.176 -1.855 -3.403 1.00 0.00 C ATOM 1254 CG2 VAL A 80 -4.191 -2.622 -1.245 1.00 0.00 C ATOM 0 H VAL A 80 -1.420 -3.639 -4.106 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.597 -4.785 -1.666 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.113 -2.356 -1.627 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.353 -0.823 -3.100 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.280 -1.903 -4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.031 -2.217 -3.974 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.354 -1.580 -0.972 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.074 -3.006 -1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.010 -3.209 -0.345 1.00 0.00 H new ATOM 1264 N THR A 81 -4.891 -5.295 -2.614 1.00 0.00 N ATOM 1265 CA THR A 81 -6.097 -5.835 -3.229 1.00 0.00 C ATOM 1266 C THR A 81 -7.348 -5.182 -2.651 1.00 0.00 C ATOM 1267 O THR A 81 -7.460 -4.998 -1.440 1.00 0.00 O ATOM 1268 CB THR A 81 -6.192 -7.360 -3.035 1.00 0.00 C ATOM 1269 OG1 THR A 81 -6.328 -7.670 -1.643 1.00 0.00 O ATOM 1270 CG2 THR A 81 -4.961 -8.055 -3.596 1.00 0.00 C ATOM 0 H THR A 81 -4.846 -5.409 -1.601 1.00 0.00 H new ATOM 0 HA THR A 81 -6.034 -5.615 -4.295 1.00 0.00 H new ATOM 0 HB THR A 81 -7.069 -7.718 -3.574 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.389 -8.641 -1.529 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.051 -9.131 -3.447 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.877 -7.842 -4.662 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.072 -7.691 -3.082 1.00 0.00 H new ATOM 1278 N ALA A 82 -8.286 -4.834 -3.526 1.00 0.00 N ATOM 1279 CA ALA A 82 -9.530 -4.204 -3.103 1.00 0.00 C ATOM 1280 C ALA A 82 -10.687 -4.611 -4.008 1.00 0.00 C ATOM 1281 O ALA A 82 -10.746 -4.217 -5.172 1.00 0.00 O ATOM 1282 CB ALA A 82 -9.376 -2.690 -3.087 1.00 0.00 C ATOM 0 H ALA A 82 -8.207 -4.978 -4.533 1.00 0.00 H new ATOM 0 HA ALA A 82 -9.756 -4.546 -2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.313 -2.232 -2.769 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.583 -2.412 -2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.122 -2.340 -4.087 1.00 0.00 H new ATOM 1288 N GLY A 83 -11.607 -5.403 -3.465 1.00 0.00 N ATOM 1289 CA GLY A 83 -12.751 -5.850 -4.239 1.00 0.00 C ATOM 1290 C GLY A 83 -12.392 -6.947 -5.222 1.00 0.00 C ATOM 1291 O GLY A 83 -12.118 -8.080 -4.826 1.00 0.00 O ATOM 0 H GLY A 83 -11.581 -5.743 -2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.525 -6.212 -3.562 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.172 -5.004 -4.781 1.00 0.00 H new ATOM 1295 N ASP A 84 -12.395 -6.611 -6.507 1.00 0.00 N ATOM 1296 CA ASP A 84 -12.068 -7.575 -7.551 1.00 0.00 C ATOM 1297 C ASP A 84 -10.877 -7.099 -8.377 1.00 0.00 C ATOM 1298 O ASP A 84 -10.677 -7.544 -9.507 1.00 0.00 O ATOM 1299 CB ASP A 84 -13.276 -7.805 -8.460 1.00 0.00 C ATOM 1300 CG ASP A 84 -14.475 -8.343 -7.704 1.00 0.00 C ATOM 1301 OD1 ASP A 84 -14.533 -9.569 -7.478 1.00 0.00 O ATOM 1302 OD2 ASP A 84 -15.357 -7.536 -7.338 1.00 0.00 O ATOM 0 H ASP A 84 -12.620 -5.678 -6.851 1.00 0.00 H new ATOM 0 HA ASP A 84 -11.801 -8.516 -7.071 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -13.547 -6.867 -8.944 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -13.004 -8.505 -9.250 1.00 0.00 H new ATOM 1307 N GLU A 85 -10.091 -6.192 -7.806 1.00 0.00 N ATOM 1308 CA GLU A 85 -8.922 -5.655 -8.491 1.00 0.00 C ATOM 1309 C GLU A 85 -7.740 -5.528 -7.534 1.00 0.00 C ATOM 1310 O GLU A 85 -7.875 -5.751 -6.331 1.00 0.00 O ATOM 1311 CB GLU A 85 -9.245 -4.291 -9.105 1.00 0.00 C ATOM 1312 CG GLU A 85 -10.186 -4.365 -10.295 1.00 0.00 C ATOM 1313 CD GLU A 85 -9.532 -4.975 -11.519 1.00 0.00 C ATOM 1314 OE1 GLU A 85 -9.592 -6.213 -11.670 1.00 0.00 O ATOM 1315 OE2 GLU A 85 -8.959 -4.214 -12.326 1.00 0.00 O ATOM 0 H GLU A 85 -10.243 -5.814 -6.871 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.649 -6.348 -9.287 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.690 -3.654 -8.340 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.316 -3.813 -9.417 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -11.062 -4.954 -10.024 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -10.538 -3.362 -10.538 1.00 0.00 H new ATOM 1322 N LYS A 86 -6.582 -5.168 -8.077 1.00 0.00 N ATOM 1323 CA LYS A 86 -5.376 -5.010 -7.274 1.00 0.00 C ATOM 1324 C LYS A 86 -4.309 -4.235 -8.040 1.00 0.00 C ATOM 1325 O LYS A 86 -4.433 -4.018 -9.246 1.00 0.00 O ATOM 1326 CB LYS A 86 -4.830 -6.379 -6.862 1.00 0.00 C ATOM 1327 CG LYS A 86 -3.910 -7.003 -7.897 1.00 0.00 C ATOM 1328 CD LYS A 86 -2.456 -6.651 -7.636 1.00 0.00 C ATOM 1329 CE LYS A 86 -1.515 -7.673 -8.256 1.00 0.00 C ATOM 1330 NZ LYS A 86 -1.275 -7.401 -9.700 1.00 0.00 N ATOM 0 H LYS A 86 -6.454 -4.980 -9.071 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.637 -4.445 -6.379 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.289 -6.277 -5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.666 -7.054 -6.677 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.030 -8.086 -7.886 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.195 -6.661 -8.892 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.241 -5.663 -8.043 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.281 -6.598 -6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.565 -7.663 -7.722 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.936 -8.672 -8.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.629 -8.119 -10.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.178 -7.435 -10.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.850 -6.458 -9.810 1.00 0.00 H new ATOM 1344 N CYS A 87 -3.263 -3.822 -7.334 1.00 0.00 N ATOM 1345 CA CYS A 87 -2.174 -3.071 -7.949 1.00 0.00 C ATOM 1346 C CYS A 87 -0.851 -3.359 -7.247 1.00 0.00 C ATOM 1347 O CYS A 87 -0.787 -3.411 -6.019 1.00 0.00 O ATOM 1348 CB CYS A 87 -2.472 -1.572 -7.906 1.00 0.00 C ATOM 1349 SG CYS A 87 -2.281 -0.827 -6.270 1.00 0.00 S ATOM 0 H CYS A 87 -3.145 -3.994 -6.336 1.00 0.00 H new ATOM 0 HA CYS A 87 -2.090 -3.387 -8.989 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.810 -1.061 -8.605 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -3.492 -1.405 -8.252 1.00 0.00 H new ATOM 0 HG CYS A 87 -2.752 0.384 -6.287 1.00 0.00 H new ATOM 1355 N SER A 88 0.203 -3.546 -8.035 1.00 0.00 N ATOM 1356 CA SER A 88 1.524 -3.834 -7.489 1.00 0.00 C ATOM 1357 C SER A 88 2.497 -2.699 -7.792 1.00 0.00 C ATOM 1358 O SER A 88 2.295 -1.926 -8.729 1.00 0.00 O ATOM 1359 CB SER A 88 2.061 -5.147 -8.062 1.00 0.00 C ATOM 1360 OG SER A 88 1.168 -6.218 -7.807 1.00 0.00 O ATOM 0 H SER A 88 0.168 -3.503 -9.053 1.00 0.00 H new ATOM 0 HA SER A 88 1.429 -3.929 -6.407 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.212 -5.044 -9.136 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.034 -5.368 -7.623 1.00 0.00 H new ATOM 0 HG SER A 88 1.533 -7.045 -8.185 1.00 0.00 H new ATOM 1366 N THR A 89 3.554 -2.604 -6.991 1.00 0.00 N ATOM 1367 CA THR A 89 4.558 -1.563 -7.172 1.00 0.00 C ATOM 1368 C THR A 89 5.944 -2.063 -6.780 1.00 0.00 C ATOM 1369 O THR A 89 6.086 -3.146 -6.213 1.00 0.00 O ATOM 1370 CB THR A 89 4.223 -0.310 -6.341 1.00 0.00 C ATOM 1371 OG1 THR A 89 5.216 0.700 -6.556 1.00 0.00 O ATOM 1372 CG2 THR A 89 4.147 -0.646 -4.860 1.00 0.00 C ATOM 0 H THR A 89 3.737 -3.235 -6.211 1.00 0.00 H new ATOM 0 HA THR A 89 4.555 -1.300 -8.230 1.00 0.00 H new ATOM 0 HB THR A 89 3.250 0.062 -6.662 1.00 0.00 H new ATOM 0 HG1 THR A 89 4.897 1.333 -7.233 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.909 0.255 -4.294 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.371 -1.393 -4.696 1.00 0.00 H new ATOM 0 HG23 THR A 89 5.107 -1.041 -4.527 1.00 0.00 H new ATOM 1380 N GLU A 90 6.963 -1.266 -7.086 1.00 0.00 N ATOM 1381 CA GLU A 90 8.339 -1.629 -6.765 1.00 0.00 C ATOM 1382 C GLU A 90 8.995 -0.561 -5.895 1.00 0.00 C ATOM 1383 O GLU A 90 8.981 0.624 -6.231 1.00 0.00 O ATOM 1384 CB GLU A 90 9.150 -1.827 -8.048 1.00 0.00 C ATOM 1385 CG GLU A 90 8.994 -3.209 -8.659 1.00 0.00 C ATOM 1386 CD GLU A 90 9.276 -3.223 -10.149 1.00 0.00 C ATOM 1387 OE1 GLU A 90 10.422 -2.920 -10.540 1.00 0.00 O ATOM 1388 OE2 GLU A 90 8.348 -3.537 -10.924 1.00 0.00 O ATOM 0 H GLU A 90 6.862 -0.366 -7.555 1.00 0.00 H new ATOM 0 HA GLU A 90 8.320 -2.565 -6.207 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.845 -1.079 -8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.204 -1.651 -7.833 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.670 -3.902 -8.158 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.980 -3.568 -8.481 1.00 0.00 H new ATOM 1395 N LEU A 91 9.569 -0.989 -4.776 1.00 0.00 N ATOM 1396 CA LEU A 91 10.230 -0.070 -3.856 1.00 0.00 C ATOM 1397 C LEU A 91 11.736 -0.046 -4.099 1.00 0.00 C ATOM 1398 O LEU A 91 12.363 -1.090 -4.280 1.00 0.00 O ATOM 1399 CB LEU A 91 9.942 -0.471 -2.408 1.00 0.00 C ATOM 1400 CG LEU A 91 10.343 0.545 -1.338 1.00 0.00 C ATOM 1401 CD1 LEU A 91 11.851 0.551 -1.146 1.00 0.00 C ATOM 1402 CD2 LEU A 91 9.844 1.934 -1.708 1.00 0.00 C ATOM 0 H LEU A 91 9.590 -1.966 -4.484 1.00 0.00 H new ATOM 0 HA LEU A 91 9.835 0.930 -4.035 1.00 0.00 H new ATOM 0 HB2 LEU A 91 8.874 -0.667 -2.312 1.00 0.00 H new ATOM 0 HB3 LEU A 91 10.458 -1.409 -2.202 1.00 0.00 H new ATOM 0 HG LEU A 91 9.879 0.254 -0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.117 1.280 -0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 91 12.182 -0.440 -0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.336 0.817 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 91 10.138 2.644 -0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 91 10.278 2.235 -2.662 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.757 1.920 -1.793 1.00 0.00 H new ATOM 1414 N PHE A 92 12.311 1.152 -4.100 1.00 0.00 N ATOM 1415 CA PHE A 92 13.744 1.312 -4.320 1.00 0.00 C ATOM 1416 C PHE A 92 14.369 2.170 -3.224 1.00 0.00 C ATOM 1417 O PHE A 92 14.387 3.398 -3.315 1.00 0.00 O ATOM 1418 CB PHE A 92 14.004 1.944 -5.689 1.00 0.00 C ATOM 1419 CG PHE A 92 13.781 1.001 -6.837 1.00 0.00 C ATOM 1420 CD1 PHE A 92 14.470 -0.199 -6.908 1.00 0.00 C ATOM 1421 CD2 PHE A 92 12.883 1.315 -7.844 1.00 0.00 C ATOM 1422 CE1 PHE A 92 14.267 -1.068 -7.963 1.00 0.00 C ATOM 1423 CE2 PHE A 92 12.675 0.450 -8.902 1.00 0.00 C ATOM 1424 CZ PHE A 92 13.368 -0.744 -8.961 1.00 0.00 C ATOM 0 H PHE A 92 11.807 2.026 -3.951 1.00 0.00 H new ATOM 0 HA PHE A 92 14.204 0.324 -4.291 1.00 0.00 H new ATOM 0 HB2 PHE A 92 13.354 2.811 -5.810 1.00 0.00 H new ATOM 0 HB3 PHE A 92 15.031 2.309 -5.723 1.00 0.00 H new ATOM 0 HD1 PHE A 92 15.173 -0.458 -6.130 1.00 0.00 H new ATOM 0 HD2 PHE A 92 12.339 2.247 -7.802 1.00 0.00 H new ATOM 0 HE1 PHE A 92 14.811 -2.000 -8.007 1.00 0.00 H new ATOM 0 HE2 PHE A 92 11.972 0.707 -9.681 1.00 0.00 H new ATOM 0 HZ PHE A 92 13.207 -1.423 -9.786 1.00 0.00 H new ATOM 1434 N VAL A 93 14.882 1.514 -2.188 1.00 0.00 N ATOM 1435 CA VAL A 93 15.509 2.215 -1.074 1.00 0.00 C ATOM 1436 C VAL A 93 17.012 2.354 -1.288 1.00 0.00 C ATOM 1437 O VAL A 93 17.755 1.376 -1.203 1.00 0.00 O ATOM 1438 CB VAL A 93 15.258 1.488 0.261 1.00 0.00 C ATOM 1439 CG1 VAL A 93 15.451 -0.012 0.096 1.00 0.00 C ATOM 1440 CG2 VAL A 93 16.171 2.036 1.346 1.00 0.00 C ATOM 0 H VAL A 93 14.876 0.498 -2.097 1.00 0.00 H new ATOM 0 HA VAL A 93 15.057 3.206 -1.030 1.00 0.00 H new ATOM 0 HB VAL A 93 14.226 1.666 0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 93 15.270 -0.509 1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 93 14.751 -0.389 -0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 93 16.471 -0.214 -0.230 1.00 0.00 H new ATOM 0 HG21 VAL A 93 15.980 1.511 2.282 1.00 0.00 H new ATOM 0 HG22 VAL A 93 17.211 1.890 1.054 1.00 0.00 H new ATOM 0 HG23 VAL A 93 15.978 3.100 1.481 1.00 0.00 H new ATOM 1450 N ARG A 94 17.454 3.577 -1.567 1.00 0.00 N ATOM 1451 CA ARG A 94 18.869 3.844 -1.794 1.00 0.00 C ATOM 1452 C ARG A 94 19.674 3.636 -0.515 1.00 0.00 C ATOM 1453 O ARG A 94 19.109 3.457 0.564 1.00 0.00 O ATOM 1454 CB ARG A 94 19.064 5.273 -2.305 1.00 0.00 C ATOM 1455 CG ARG A 94 18.296 5.573 -3.582 1.00 0.00 C ATOM 1456 CD ARG A 94 18.560 6.989 -4.071 1.00 0.00 C ATOM 1457 NE ARG A 94 19.974 7.215 -4.356 1.00 0.00 N ATOM 1458 CZ ARG A 94 20.479 8.402 -4.676 1.00 0.00 C ATOM 1459 NH1 ARG A 94 19.689 9.464 -4.750 1.00 0.00 N ATOM 1460 NH2 ARG A 94 21.777 8.527 -4.922 1.00 0.00 N ATOM 0 H ARG A 94 16.853 4.397 -1.641 1.00 0.00 H new ATOM 0 HA ARG A 94 19.229 3.143 -2.547 1.00 0.00 H new ATOM 0 HB2 ARG A 94 18.751 5.973 -1.530 1.00 0.00 H new ATOM 0 HB3 ARG A 94 20.126 5.445 -2.481 1.00 0.00 H new ATOM 0 HG2 ARG A 94 18.582 4.860 -4.356 1.00 0.00 H new ATOM 0 HG3 ARG A 94 17.229 5.441 -3.406 1.00 0.00 H new ATOM 0 HD2 ARG A 94 17.974 7.177 -4.971 1.00 0.00 H new ATOM 0 HD3 ARG A 94 18.224 7.701 -3.318 1.00 0.00 H new ATOM 0 HE ARG A 94 20.609 6.418 -4.307 1.00 0.00 H new ATOM 0 HH11 ARG A 94 18.691 9.371 -4.561 1.00 0.00 H new ATOM 0 HH12 ARG A 94 20.079 10.374 -4.996 1.00 0.00 H new ATOM 0 HH21 ARG A 94 22.388 7.712 -4.866 1.00 0.00 H new ATOM 0 HH22 ARG A 94 22.164 9.438 -5.168 1.00 0.00 H new ATOM 1474 N SER A 95 20.997 3.659 -0.644 1.00 0.00 N ATOM 1475 CA SER A 95 21.880 3.469 0.500 1.00 0.00 C ATOM 1476 C SER A 95 22.715 4.720 0.756 1.00 0.00 C ATOM 1477 O SER A 95 23.789 4.891 0.181 1.00 0.00 O ATOM 1478 CB SER A 95 22.799 2.267 0.268 1.00 0.00 C ATOM 1479 OG SER A 95 23.626 2.470 -0.865 1.00 0.00 O ATOM 0 H SER A 95 21.481 3.807 -1.530 1.00 0.00 H new ATOM 0 HA SER A 95 21.261 3.281 1.377 1.00 0.00 H new ATOM 0 HB2 SER A 95 23.418 2.103 1.150 1.00 0.00 H new ATOM 0 HB3 SER A 95 22.199 1.368 0.128 1.00 0.00 H new ATOM 0 HG SER A 95 23.967 3.389 -0.860 1.00 0.00 H new ATOM 1485 N GLY A 96 22.213 5.592 1.625 1.00 0.00 N ATOM 1486 CA GLY A 96 22.924 6.816 1.943 1.00 0.00 C ATOM 1487 C GLY A 96 21.989 7.989 2.164 1.00 0.00 C ATOM 1488 O GLY A 96 20.902 8.061 1.590 1.00 0.00 O ATOM 0 H GLY A 96 21.326 5.472 2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 96 23.525 6.661 2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 96 23.614 7.053 1.133 1.00 0.00 H new ATOM 1492 N PRO A 97 22.412 8.935 3.015 1.00 0.00 N ATOM 1493 CA PRO A 97 21.619 10.127 3.331 1.00 0.00 C ATOM 1494 C PRO A 97 21.526 11.091 2.153 1.00 0.00 C ATOM 1495 O PRO A 97 22.353 11.991 2.008 1.00 0.00 O ATOM 1496 CB PRO A 97 22.390 10.769 4.487 1.00 0.00 C ATOM 1497 CG PRO A 97 23.792 10.298 4.316 1.00 0.00 C ATOM 1498 CD PRO A 97 23.697 8.915 3.735 1.00 0.00 C ATOM 0 HA PRO A 97 20.587 9.877 3.575 1.00 0.00 H new ATOM 0 HB2 PRO A 97 22.330 11.857 4.447 1.00 0.00 H new ATOM 0 HB3 PRO A 97 21.985 10.463 5.451 1.00 0.00 H new ATOM 0 HG2 PRO A 97 24.348 10.962 3.654 1.00 0.00 H new ATOM 0 HG3 PRO A 97 24.318 10.285 5.270 1.00 0.00 H new ATOM 0 HD2 PRO A 97 24.530 8.703 3.065 1.00 0.00 H new ATOM 0 HD3 PRO A 97 23.710 8.151 4.512 1.00 0.00 H new ATOM 1506 N SER A 98 20.515 10.895 1.313 1.00 0.00 N ATOM 1507 CA SER A 98 20.316 11.745 0.145 1.00 0.00 C ATOM 1508 C SER A 98 20.694 13.191 0.454 1.00 0.00 C ATOM 1509 O SER A 98 19.960 13.903 1.139 1.00 0.00 O ATOM 1510 CB SER A 98 18.860 11.676 -0.321 1.00 0.00 C ATOM 1511 OG SER A 98 18.682 12.372 -1.542 1.00 0.00 O ATOM 0 H SER A 98 19.821 10.155 1.419 1.00 0.00 H new ATOM 0 HA SER A 98 20.963 11.380 -0.653 1.00 0.00 H new ATOM 0 HB2 SER A 98 18.564 10.634 -0.446 1.00 0.00 H new ATOM 0 HB3 SER A 98 18.210 12.103 0.443 1.00 0.00 H new ATOM 0 HG SER A 98 17.744 12.312 -1.819 1.00 0.00 H new ATOM 1517 N SER A 99 21.845 13.616 -0.056 1.00 0.00 N ATOM 1518 CA SER A 99 22.325 14.975 0.168 1.00 0.00 C ATOM 1519 C SER A 99 21.574 15.968 -0.714 1.00 0.00 C ATOM 1520 O SER A 99 21.949 16.202 -1.862 1.00 0.00 O ATOM 1521 CB SER A 99 23.826 15.061 -0.110 1.00 0.00 C ATOM 1522 OG SER A 99 24.579 14.708 1.037 1.00 0.00 O ATOM 0 H SER A 99 22.463 13.039 -0.627 1.00 0.00 H new ATOM 0 HA SER A 99 22.142 15.232 1.211 1.00 0.00 H new ATOM 0 HB2 SER A 99 24.084 14.399 -0.936 1.00 0.00 H new ATOM 0 HB3 SER A 99 24.084 16.074 -0.421 1.00 0.00 H new ATOM 0 HG SER A 99 25.535 14.770 0.832 1.00 0.00 H new ATOM 1528 N GLY A 100 20.511 16.550 -0.167 1.00 0.00 N ATOM 1529 CA GLY A 100 19.724 17.511 -0.917 1.00 0.00 C ATOM 1530 C GLY A 100 18.373 17.776 -0.282 1.00 0.00 C ATOM 1531 O GLY A 100 17.680 18.723 -0.654 1.00 0.00 O ATOM 0 H GLY A 100 20.181 16.373 0.782 1.00 0.00 H new ATOM 0 HA2 GLY A 100 20.276 18.448 -0.993 1.00 0.00 H new ATOM 0 HA3 GLY A 100 19.579 17.143 -1.933 1.00 0.00 H new TER 1535 GLY A 100