USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 771 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 78 SER OG : rot 180:sc= 0.059 USER MOD Set 1.2: A 87 SER OG : rot -78:sc= 0.0602 USER MOD Set 2.1: A 57 GLN : amide:sc= -2.37 K(o=-4.1,f=-7.1!) USER MOD Set 2.2: A 62 CYS SG : rot 110:sc= -1.69 USER MOD Set 3.1: A 9 SER OG : rot 137:sc= 1.03 USER MOD Set 3.2: A 81 CYS SG : rot 42:sc= -0.75 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 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -121:sc= -0.0956 (180deg=-1.43!) USER MOD Single : A 17 ASN : amide:sc= -1.65 K(o=-1.7,f=-5!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 130:sc= 0.757 USER MOD Single : A 33 SER OG : rot 170:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -164:sc=-0.00586 (180deg=-0.194) USER MOD Single : A 42 LYS NZ :NH3+ 140:sc= 0.592 (180deg=0.0341) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -2.2 K(o=-2.2,f=-2.8) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= -0.119 USER MOD Single : A 65 GLN : amide:sc= -0.27 K(o=-0.27,f=-2.5!) USER MOD Single : A 77 TYR OH : rot -165:sc= -2.08! USER MOD Single : A 79 CYS SG : rot 119:sc= 0.11 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.182 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 33:sc= 0.578 USER MOD Single : A 105 SER OG : rot 180:sc= -0.0523 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.980 42.890 9.630 1.00 0.00 N ATOM 2 CA GLY A 1 -1.308 41.607 9.727 1.00 0.00 C ATOM 3 C GLY A 1 -1.563 40.726 8.519 1.00 0.00 C ATOM 4 O GLY A 1 -2.700 40.596 8.067 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.775 43.455 10.479 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.641 43.396 8.787 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.006 42.740 9.554 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.236 41.769 9.835 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.644 41.091 10.626 1.00 0.00 H new ATOM 8 N SER A 2 -0.501 40.122 7.995 1.00 0.00 N ATOM 9 CA SER A 2 -0.614 39.253 6.829 1.00 0.00 C ATOM 10 C SER A 2 -0.720 37.791 7.250 1.00 0.00 C ATOM 11 O SER A 2 0.092 37.298 8.032 1.00 0.00 O ATOM 12 CB SER A 2 0.591 39.444 5.906 1.00 0.00 C ATOM 13 OG SER A 2 0.500 38.604 4.769 1.00 0.00 O ATOM 0 H SER A 2 0.447 40.218 8.359 1.00 0.00 H new ATOM 0 HA SER A 2 -1.522 39.525 6.290 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.649 40.485 5.589 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.509 39.225 6.451 1.00 0.00 H new ATOM 0 HG SER A 2 1.281 38.746 4.194 1.00 0.00 H new ATOM 19 N SER A 3 -1.729 37.102 6.724 1.00 0.00 N ATOM 20 CA SER A 3 -1.945 35.697 7.047 1.00 0.00 C ATOM 21 C SER A 3 -0.691 34.875 6.764 1.00 0.00 C ATOM 22 O SER A 3 0.141 35.255 5.941 1.00 0.00 O ATOM 23 CB SER A 3 -3.123 35.142 6.243 1.00 0.00 C ATOM 24 OG SER A 3 -3.392 33.797 6.596 1.00 0.00 O ATOM 0 H SER A 3 -2.409 37.494 6.073 1.00 0.00 H new ATOM 0 HA SER A 3 -2.173 35.626 8.110 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.009 35.752 6.421 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.902 35.204 5.178 1.00 0.00 H new ATOM 0 HG SER A 3 -4.150 33.466 6.070 1.00 0.00 H new ATOM 30 N GLY A 4 -0.562 33.746 7.454 1.00 0.00 N ATOM 31 CA GLY A 4 0.592 32.888 7.265 1.00 0.00 C ATOM 32 C GLY A 4 0.578 32.185 5.922 1.00 0.00 C ATOM 33 O GLY A 4 -0.182 32.556 5.027 1.00 0.00 O ATOM 0 H GLY A 4 -1.237 33.410 8.141 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.501 33.483 7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.622 32.144 8.061 1.00 0.00 H new ATOM 37 N SER A 5 1.422 31.168 5.779 1.00 0.00 N ATOM 38 CA SER A 5 1.507 30.415 4.533 1.00 0.00 C ATOM 39 C SER A 5 0.314 29.476 4.383 1.00 0.00 C ATOM 40 O SER A 5 0.253 28.425 5.021 1.00 0.00 O ATOM 41 CB SER A 5 2.810 29.614 4.484 1.00 0.00 C ATOM 42 OG SER A 5 3.937 30.472 4.522 1.00 0.00 O ATOM 0 H SER A 5 2.056 30.847 6.510 1.00 0.00 H new ATOM 0 HA SER A 5 1.494 31.126 3.707 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.847 28.922 5.325 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.837 29.013 3.575 1.00 0.00 H new ATOM 0 HG SER A 5 4.757 29.936 4.491 1.00 0.00 H new ATOM 48 N SER A 6 -0.633 29.863 3.535 1.00 0.00 N ATOM 49 CA SER A 6 -1.827 29.059 3.302 1.00 0.00 C ATOM 50 C SER A 6 -1.620 28.106 2.129 1.00 0.00 C ATOM 51 O SER A 6 -2.494 27.955 1.276 1.00 0.00 O ATOM 52 CB SER A 6 -3.032 29.962 3.034 1.00 0.00 C ATOM 53 OG SER A 6 -3.279 30.822 4.133 1.00 0.00 O ATOM 0 H SER A 6 -0.597 30.729 2.997 1.00 0.00 H new ATOM 0 HA SER A 6 -2.017 28.468 4.198 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.854 30.555 2.137 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.913 29.350 2.842 1.00 0.00 H new ATOM 0 HG SER A 6 -4.053 31.390 3.936 1.00 0.00 H new ATOM 59 N GLY A 7 -0.456 27.464 2.094 1.00 0.00 N ATOM 60 CA GLY A 7 -0.154 26.534 1.021 1.00 0.00 C ATOM 61 C GLY A 7 -1.026 25.295 1.066 1.00 0.00 C ATOM 62 O GLY A 7 -1.407 24.816 2.135 1.00 0.00 O ATOM 0 H GLY A 7 0.283 27.571 2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.288 27.034 0.062 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.894 26.240 1.083 1.00 0.00 H new ATOM 66 N PRO A 8 -1.357 24.757 -0.117 1.00 0.00 N ATOM 67 CA PRO A 8 -2.195 23.559 -0.235 1.00 0.00 C ATOM 68 C PRO A 8 -1.480 22.302 0.248 1.00 0.00 C ATOM 69 O PRO A 8 -0.310 22.349 0.628 1.00 0.00 O ATOM 70 CB PRO A 8 -2.477 23.471 -1.737 1.00 0.00 C ATOM 71 CG PRO A 8 -1.334 24.178 -2.380 1.00 0.00 C ATOM 72 CD PRO A 8 -0.939 25.275 -1.430 1.00 0.00 C ATOM 0 HA PRO A 8 -3.094 23.627 0.378 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.538 22.434 -2.068 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.427 23.943 -1.990 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.502 23.496 -2.556 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.622 24.586 -3.349 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.133 25.468 -1.463 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.439 26.213 -1.669 1.00 0.00 H new ATOM 80 N SER A 9 -2.191 21.179 0.229 1.00 0.00 N ATOM 81 CA SER A 9 -1.625 19.909 0.668 1.00 0.00 C ATOM 82 C SER A 9 -1.120 19.099 -0.522 1.00 0.00 C ATOM 83 O SER A 9 -1.859 18.843 -1.473 1.00 0.00 O ATOM 84 CB SER A 9 -2.669 19.102 1.443 1.00 0.00 C ATOM 85 OG SER A 9 -3.877 18.994 0.710 1.00 0.00 O ATOM 0 H SER A 9 -3.160 21.123 -0.086 1.00 0.00 H new ATOM 0 HA SER A 9 -0.781 20.123 1.324 1.00 0.00 H new ATOM 0 HB2 SER A 9 -2.279 18.107 1.656 1.00 0.00 H new ATOM 0 HB3 SER A 9 -2.864 19.580 2.403 1.00 0.00 H new ATOM 0 HG SER A 9 -4.218 18.077 0.774 1.00 0.00 H new ATOM 91 N LYS A 10 0.145 18.697 -0.462 1.00 0.00 N ATOM 92 CA LYS A 10 0.752 17.915 -1.532 1.00 0.00 C ATOM 93 C LYS A 10 1.671 16.837 -0.965 1.00 0.00 C ATOM 94 O LYS A 10 2.564 17.125 -0.168 1.00 0.00 O ATOM 95 CB LYS A 10 1.540 18.827 -2.475 1.00 0.00 C ATOM 96 CG LYS A 10 0.674 19.835 -3.210 1.00 0.00 C ATOM 97 CD LYS A 10 1.485 20.641 -4.212 1.00 0.00 C ATOM 98 CE LYS A 10 2.231 21.781 -3.536 1.00 0.00 C ATOM 99 NZ LYS A 10 3.565 21.350 -3.034 1.00 0.00 N ATOM 0 H LYS A 10 0.770 18.900 0.318 1.00 0.00 H new ATOM 0 HA LYS A 10 -0.048 17.429 -2.091 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.298 19.361 -1.902 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.067 18.213 -3.205 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.132 19.315 -3.727 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.209 20.509 -2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.197 19.987 -4.716 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.823 21.042 -4.979 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.356 22.602 -4.242 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.636 22.162 -2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.616 21.505 -2.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.703 20.340 -3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 4.309 21.904 -3.505 1.00 0.00 H new ATOM 113 N PHE A 11 1.446 15.595 -1.382 1.00 0.00 N ATOM 114 CA PHE A 11 2.254 14.475 -0.916 1.00 0.00 C ATOM 115 C PHE A 11 3.740 14.747 -1.134 1.00 0.00 C ATOM 116 O PHE A 11 4.149 15.188 -2.208 1.00 0.00 O ATOM 117 CB PHE A 11 1.848 13.189 -1.640 1.00 0.00 C ATOM 118 CG PHE A 11 0.370 12.922 -1.602 1.00 0.00 C ATOM 119 CD1 PHE A 11 -0.243 12.509 -0.430 1.00 0.00 C ATOM 120 CD2 PHE A 11 -0.405 13.081 -2.739 1.00 0.00 C ATOM 121 CE1 PHE A 11 -1.602 12.263 -0.392 1.00 0.00 C ATOM 122 CE2 PHE A 11 -1.765 12.837 -2.707 1.00 0.00 C ATOM 123 CZ PHE A 11 -2.364 12.425 -1.532 1.00 0.00 C ATOM 0 H PHE A 11 0.711 15.339 -2.041 1.00 0.00 H new ATOM 0 HA PHE A 11 2.078 14.353 0.153 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.172 13.248 -2.679 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.373 12.347 -1.190 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.348 12.378 0.464 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.059 13.399 -3.661 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -2.068 11.944 0.529 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -2.359 12.968 -3.599 1.00 0.00 H new ATOM 0 HZ PHE A 11 -3.426 12.230 -1.505 1.00 0.00 H new ATOM 133 N ILE A 12 4.541 14.481 -0.108 1.00 0.00 N ATOM 134 CA ILE A 12 5.980 14.696 -0.188 1.00 0.00 C ATOM 135 C ILE A 12 6.705 13.419 -0.599 1.00 0.00 C ATOM 136 O ILE A 12 7.403 13.390 -1.612 1.00 0.00 O ATOM 137 CB ILE A 12 6.551 15.188 1.156 1.00 0.00 C ATOM 138 CG1 ILE A 12 5.544 16.100 1.859 1.00 0.00 C ATOM 139 CG2 ILE A 12 7.870 15.914 0.937 1.00 0.00 C ATOM 140 CD1 ILE A 12 5.062 17.246 0.997 1.00 0.00 C ATOM 0 H ILE A 12 4.218 14.116 0.788 1.00 0.00 H new ATOM 0 HA ILE A 12 6.143 15.463 -0.945 1.00 0.00 H new ATOM 0 HB ILE A 12 6.737 14.324 1.794 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.686 15.506 2.173 1.00 0.00 H new ATOM 0 HG13 ILE A 12 6.000 16.503 2.763 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.261 16.256 1.895 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.586 15.235 0.474 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.709 16.772 0.284 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.351 17.851 1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.911 17.863 0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.576 16.851 0.105 1.00 0.00 H new ATOM 152 N GLU A 13 6.533 12.366 0.194 1.00 0.00 N ATOM 153 CA GLU A 13 7.171 11.086 -0.089 1.00 0.00 C ATOM 154 C GLU A 13 6.432 10.343 -1.199 1.00 0.00 C ATOM 155 O GLU A 13 7.050 9.777 -2.100 1.00 0.00 O ATOM 156 CB GLU A 13 7.216 10.223 1.174 1.00 0.00 C ATOM 157 CG GLU A 13 8.357 9.219 1.184 1.00 0.00 C ATOM 158 CD GLU A 13 9.657 9.808 0.671 1.00 0.00 C ATOM 159 OE1 GLU A 13 10.134 10.799 1.261 1.00 0.00 O ATOM 160 OE2 GLU A 13 10.196 9.276 -0.322 1.00 0.00 O ATOM 0 H GLU A 13 5.958 12.374 1.036 1.00 0.00 H new ATOM 0 HA GLU A 13 8.190 11.283 -0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 13 7.307 10.872 2.045 1.00 0.00 H new ATOM 0 HB3 GLU A 13 6.271 9.688 1.272 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.504 8.852 2.200 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.085 8.360 0.571 1.00 0.00 H new ATOM 167 N GLY A 14 5.105 10.351 -1.126 1.00 0.00 N ATOM 168 CA GLY A 14 4.303 9.675 -2.130 1.00 0.00 C ATOM 169 C GLY A 14 4.260 8.174 -1.923 1.00 0.00 C ATOM 170 O GLY A 14 5.033 7.626 -1.136 1.00 0.00 O ATOM 0 H GLY A 14 4.571 10.813 -0.390 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.288 10.071 -2.107 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.707 9.891 -3.119 1.00 0.00 H new ATOM 174 N LEU A 15 3.354 7.507 -2.628 1.00 0.00 N ATOM 175 CA LEU A 15 3.211 6.059 -2.517 1.00 0.00 C ATOM 176 C LEU A 15 4.195 5.343 -3.438 1.00 0.00 C ATOM 177 O LEU A 15 4.617 5.890 -4.457 1.00 0.00 O ATOM 178 CB LEU A 15 1.780 5.640 -2.856 1.00 0.00 C ATOM 179 CG LEU A 15 0.685 6.188 -1.940 1.00 0.00 C ATOM 180 CD1 LEU A 15 -0.688 5.957 -2.552 1.00 0.00 C ATOM 181 CD2 LEU A 15 0.772 5.546 -0.563 1.00 0.00 C ATOM 0 H LEU A 15 2.707 7.945 -3.283 1.00 0.00 H new ATOM 0 HA LEU A 15 3.431 5.775 -1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.563 5.954 -3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.728 4.551 -2.840 1.00 0.00 H new ATOM 0 HG LEU A 15 0.834 7.262 -1.829 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.455 6.353 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.747 6.464 -3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.848 4.888 -2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.015 5.947 0.076 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.648 4.467 -0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.745 5.763 -0.121 1.00 0.00 H new ATOM 193 N ARG A 16 4.553 4.117 -3.073 1.00 0.00 N ATOM 194 CA ARG A 16 5.486 3.325 -3.866 1.00 0.00 C ATOM 195 C ARG A 16 4.965 1.904 -4.060 1.00 0.00 C ATOM 196 O ARG A 16 4.070 1.458 -3.344 1.00 0.00 O ATOM 197 CB ARG A 16 6.859 3.289 -3.193 1.00 0.00 C ATOM 198 CG ARG A 16 7.734 4.486 -3.529 1.00 0.00 C ATOM 199 CD ARG A 16 8.813 4.699 -2.479 1.00 0.00 C ATOM 200 NE ARG A 16 9.602 5.900 -2.741 1.00 0.00 N ATOM 201 CZ ARG A 16 10.471 6.005 -3.740 1.00 0.00 C ATOM 202 NH1 ARG A 16 10.662 4.986 -4.567 1.00 0.00 N ATOM 203 NH2 ARG A 16 11.151 7.131 -3.913 1.00 0.00 N ATOM 0 H ARG A 16 4.211 3.650 -2.233 1.00 0.00 H new ATOM 0 HA ARG A 16 5.581 3.795 -4.845 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.723 3.241 -2.113 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.376 2.377 -3.490 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.198 4.337 -4.504 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.116 5.381 -3.604 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.351 4.776 -1.495 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.472 3.831 -2.455 1.00 0.00 H new ATOM 0 HE ARG A 16 9.479 6.702 -2.123 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.141 4.119 -4.437 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.330 5.069 -5.333 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.007 7.917 -3.279 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.818 7.211 -4.680 1.00 0.00 H new ATOM 217 N ASN A 17 5.531 1.200 -5.035 1.00 0.00 N ATOM 218 CA ASN A 17 5.123 -0.170 -5.324 1.00 0.00 C ATOM 219 C ASN A 17 5.300 -1.061 -4.098 1.00 0.00 C ATOM 220 O ASN A 17 6.410 -1.491 -3.787 1.00 0.00 O ATOM 221 CB ASN A 17 5.933 -0.729 -6.495 1.00 0.00 C ATOM 222 CG ASN A 17 7.428 -0.630 -6.264 1.00 0.00 C ATOM 223 OD1 ASN A 17 7.876 -0.128 -5.232 1.00 0.00 O ATOM 224 ND2 ASN A 17 8.209 -1.110 -7.225 1.00 0.00 N ATOM 0 H ASN A 17 6.273 1.555 -5.638 1.00 0.00 H new ATOM 0 HA ASN A 17 4.067 -0.159 -5.593 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.661 -1.772 -6.656 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.672 -0.188 -7.405 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.223 -1.071 -7.125 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.794 -1.517 -8.063 1.00 0.00 H new ATOM 231 N GLU A 18 4.197 -1.333 -3.407 1.00 0.00 N ATOM 232 CA GLU A 18 4.231 -2.172 -2.215 1.00 0.00 C ATOM 233 C GLU A 18 4.002 -3.637 -2.574 1.00 0.00 C ATOM 234 O GLU A 18 3.048 -3.972 -3.276 1.00 0.00 O ATOM 235 CB GLU A 18 3.175 -1.710 -1.209 1.00 0.00 C ATOM 236 CG GLU A 18 3.547 -1.991 0.237 1.00 0.00 C ATOM 237 CD GLU A 18 4.763 -1.205 0.689 1.00 0.00 C ATOM 238 OE1 GLU A 18 5.894 -1.686 0.472 1.00 0.00 O ATOM 239 OE2 GLU A 18 4.582 -0.109 1.260 1.00 0.00 O ATOM 0 H GLU A 18 3.270 -0.985 -3.652 1.00 0.00 H new ATOM 0 HA GLU A 18 5.218 -2.077 -1.763 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.012 -0.639 -1.332 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.230 -2.204 -1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 18 2.701 -1.747 0.880 1.00 0.00 H new ATOM 0 HG3 GLU A 18 3.742 -3.057 0.358 1.00 0.00 H new ATOM 246 N GLU A 19 4.884 -4.505 -2.088 1.00 0.00 N ATOM 247 CA GLU A 19 4.778 -5.933 -2.360 1.00 0.00 C ATOM 248 C GLU A 19 4.520 -6.714 -1.074 1.00 0.00 C ATOM 249 O GLU A 19 5.327 -6.684 -0.145 1.00 0.00 O ATOM 250 CB GLU A 19 6.055 -6.443 -3.031 1.00 0.00 C ATOM 251 CG GLU A 19 6.130 -7.958 -3.125 1.00 0.00 C ATOM 252 CD GLU A 19 7.548 -8.462 -3.312 1.00 0.00 C ATOM 253 OE1 GLU A 19 8.402 -8.163 -2.452 1.00 0.00 O ATOM 254 OE2 GLU A 19 7.802 -9.155 -4.319 1.00 0.00 O ATOM 0 H GLU A 19 5.679 -4.244 -1.505 1.00 0.00 H new ATOM 0 HA GLU A 19 3.935 -6.087 -3.034 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.122 -6.021 -4.034 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.918 -6.079 -2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.709 -8.396 -2.220 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.515 -8.297 -3.958 1.00 0.00 H new ATOM 261 N ALA A 20 3.390 -7.411 -1.028 1.00 0.00 N ATOM 262 CA ALA A 20 3.026 -8.201 0.142 1.00 0.00 C ATOM 263 C ALA A 20 2.531 -9.585 -0.263 1.00 0.00 C ATOM 264 O ALA A 20 2.337 -9.866 -1.446 1.00 0.00 O ATOM 265 CB ALA A 20 1.965 -7.476 0.958 1.00 0.00 C ATOM 0 H ALA A 20 2.710 -7.445 -1.788 1.00 0.00 H new ATOM 0 HA ALA A 20 3.917 -8.328 0.756 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.702 -8.077 1.829 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.354 -6.512 1.286 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.078 -7.319 0.344 1.00 0.00 H new ATOM 271 N THR A 21 2.328 -10.449 0.728 1.00 0.00 N ATOM 272 CA THR A 21 1.858 -11.805 0.475 1.00 0.00 C ATOM 273 C THR A 21 0.371 -11.937 0.782 1.00 0.00 C ATOM 274 O THR A 21 -0.147 -11.279 1.684 1.00 0.00 O ATOM 275 CB THR A 21 2.637 -12.835 1.314 1.00 0.00 C ATOM 276 OG1 THR A 21 4.037 -12.537 1.280 1.00 0.00 O ATOM 277 CG2 THR A 21 2.401 -14.245 0.795 1.00 0.00 C ATOM 0 H THR A 21 2.482 -10.233 1.713 1.00 0.00 H new ATOM 0 HA THR A 21 2.027 -12.006 -0.583 1.00 0.00 H new ATOM 0 HB THR A 21 2.279 -12.778 2.342 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.525 -13.196 1.817 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.961 -14.955 1.403 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.338 -14.480 0.850 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.734 -14.312 -0.241 1.00 0.00 H new ATOM 285 N GLU A 22 -0.311 -12.793 0.027 1.00 0.00 N ATOM 286 CA GLU A 22 -1.740 -13.010 0.219 1.00 0.00 C ATOM 287 C GLU A 22 -2.043 -13.383 1.668 1.00 0.00 C ATOM 288 O GLU A 22 -1.303 -14.141 2.293 1.00 0.00 O ATOM 289 CB GLU A 22 -2.242 -14.110 -0.718 1.00 0.00 C ATOM 290 CG GLU A 22 -3.750 -14.296 -0.686 1.00 0.00 C ATOM 291 CD GLU A 22 -4.201 -15.534 -1.436 1.00 0.00 C ATOM 292 OE1 GLU A 22 -4.080 -16.644 -0.875 1.00 0.00 O ATOM 293 OE2 GLU A 22 -4.674 -15.394 -2.583 1.00 0.00 O ATOM 0 H GLU A 22 0.103 -13.347 -0.723 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.258 -12.080 -0.015 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.935 -13.875 -1.737 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.763 -15.051 -0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.082 -14.362 0.350 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.230 -13.418 -1.119 1.00 0.00 H new ATOM 300 N GLY A 23 -3.138 -12.844 2.195 1.00 0.00 N ATOM 301 CA GLY A 23 -3.520 -13.131 3.565 1.00 0.00 C ATOM 302 C GLY A 23 -2.994 -12.098 4.542 1.00 0.00 C ATOM 303 O GLY A 23 -3.717 -11.650 5.432 1.00 0.00 O ATOM 0 H GLY A 23 -3.767 -12.214 1.698 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.607 -13.172 3.635 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.145 -14.115 3.845 1.00 0.00 H new ATOM 307 N ASP A 24 -1.731 -11.721 4.378 1.00 0.00 N ATOM 308 CA ASP A 24 -1.107 -10.735 5.253 1.00 0.00 C ATOM 309 C ASP A 24 -1.890 -9.426 5.242 1.00 0.00 C ATOM 310 O ASP A 24 -2.929 -9.317 4.589 1.00 0.00 O ATOM 311 CB ASP A 24 0.339 -10.482 4.824 1.00 0.00 C ATOM 312 CG ASP A 24 1.225 -11.695 5.031 1.00 0.00 C ATOM 313 OD1 ASP A 24 0.959 -12.740 4.401 1.00 0.00 O ATOM 314 OD2 ASP A 24 2.185 -11.599 5.824 1.00 0.00 O ATOM 0 H ASP A 24 -1.119 -12.083 3.647 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.112 -11.132 6.268 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.358 -10.197 3.772 1.00 0.00 H new ATOM 0 HB3 ASP A 24 0.741 -9.641 5.390 1.00 0.00 H new ATOM 319 N THR A 25 -1.386 -8.434 5.970 1.00 0.00 N ATOM 320 CA THR A 25 -2.040 -7.134 6.046 1.00 0.00 C ATOM 321 C THR A 25 -1.123 -6.028 5.537 1.00 0.00 C ATOM 322 O THR A 25 -0.190 -5.615 6.226 1.00 0.00 O ATOM 323 CB THR A 25 -2.470 -6.805 7.488 1.00 0.00 C ATOM 324 OG1 THR A 25 -3.357 -7.817 7.978 1.00 0.00 O ATOM 325 CG2 THR A 25 -3.157 -5.449 7.552 1.00 0.00 C ATOM 0 H THR A 25 -0.527 -8.507 6.515 1.00 0.00 H new ATOM 0 HA THR A 25 -2.926 -7.188 5.414 1.00 0.00 H new ATOM 0 HB THR A 25 -1.576 -6.772 8.111 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.624 -7.601 8.896 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.452 -5.239 8.580 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.470 -4.677 7.206 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.042 -5.459 6.916 1.00 0.00 H new ATOM 333 N ALA A 26 -1.394 -5.551 4.326 1.00 0.00 N ATOM 334 CA ALA A 26 -0.595 -4.490 3.726 1.00 0.00 C ATOM 335 C ALA A 26 -0.737 -3.187 4.506 1.00 0.00 C ATOM 336 O ALA A 26 -1.772 -2.930 5.122 1.00 0.00 O ATOM 337 CB ALA A 26 -0.996 -4.285 2.273 1.00 0.00 C ATOM 0 H ALA A 26 -2.161 -5.883 3.741 1.00 0.00 H new ATOM 0 HA ALA A 26 0.452 -4.792 3.763 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -0.391 -3.490 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.835 -5.209 1.717 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.049 -4.009 2.222 1.00 0.00 H new ATOM 343 N THR A 27 0.308 -2.367 4.475 1.00 0.00 N ATOM 344 CA THR A 27 0.300 -1.091 5.181 1.00 0.00 C ATOM 345 C THR A 27 1.076 -0.031 4.408 1.00 0.00 C ATOM 346 O THR A 27 2.307 -0.050 4.373 1.00 0.00 O ATOM 347 CB THR A 27 0.903 -1.226 6.592 1.00 0.00 C ATOM 348 OG1 THR A 27 0.207 -2.238 7.327 1.00 0.00 O ATOM 349 CG2 THR A 27 0.826 0.096 7.341 1.00 0.00 C ATOM 0 H THR A 27 1.171 -2.563 3.969 1.00 0.00 H new ATOM 0 HA THR A 27 -0.742 -0.784 5.268 1.00 0.00 H new ATOM 0 HB THR A 27 1.951 -1.508 6.491 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.597 -2.319 8.222 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.258 -0.023 8.335 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.381 0.857 6.793 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.216 0.402 7.432 1.00 0.00 H new ATOM 357 N LEU A 28 0.350 0.894 3.790 1.00 0.00 N ATOM 358 CA LEU A 28 0.971 1.964 3.017 1.00 0.00 C ATOM 359 C LEU A 28 0.984 3.269 3.807 1.00 0.00 C ATOM 360 O LEU A 28 0.179 3.462 4.719 1.00 0.00 O ATOM 361 CB LEU A 28 0.228 2.163 1.695 1.00 0.00 C ATOM 362 CG LEU A 28 0.295 0.998 0.706 1.00 0.00 C ATOM 363 CD1 LEU A 28 -0.858 0.034 0.938 1.00 0.00 C ATOM 364 CD2 LEU A 28 0.283 1.513 -0.726 1.00 0.00 C ATOM 0 H LEU A 28 -0.669 0.925 3.809 1.00 0.00 H new ATOM 0 HA LEU A 28 2.001 1.676 2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.820 2.365 1.917 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.628 3.052 1.207 1.00 0.00 H new ATOM 0 HG LEU A 28 1.229 0.460 0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.794 -0.788 0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.804 -0.360 1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.804 0.559 0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.331 0.671 -1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.634 2.075 -0.903 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.143 2.163 -0.886 1.00 0.00 H new ATOM 376 N TRP A 29 1.900 4.162 3.450 1.00 0.00 N ATOM 377 CA TRP A 29 2.015 5.450 4.125 1.00 0.00 C ATOM 378 C TRP A 29 2.650 6.489 3.208 1.00 0.00 C ATOM 379 O TRP A 29 3.531 6.170 2.409 1.00 0.00 O ATOM 380 CB TRP A 29 2.842 5.307 5.403 1.00 0.00 C ATOM 381 CG TRP A 29 4.317 5.224 5.151 1.00 0.00 C ATOM 382 CD1 TRP A 29 5.077 4.090 5.096 1.00 0.00 C ATOM 383 CD2 TRP A 29 5.210 6.319 4.920 1.00 0.00 C ATOM 384 NE1 TRP A 29 6.389 4.415 4.846 1.00 0.00 N ATOM 385 CE2 TRP A 29 6.496 5.776 4.733 1.00 0.00 C ATOM 386 CE3 TRP A 29 5.048 7.705 4.851 1.00 0.00 C ATOM 387 CZ2 TRP A 29 7.611 6.572 4.483 1.00 0.00 C ATOM 388 CZ3 TRP A 29 6.156 8.494 4.604 1.00 0.00 C ATOM 389 CH2 TRP A 29 7.423 7.926 4.421 1.00 0.00 C ATOM 0 H TRP A 29 2.573 4.018 2.698 1.00 0.00 H new ATOM 0 HA TRP A 29 1.012 5.787 4.386 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.640 6.157 6.055 1.00 0.00 H new ATOM 0 HB3 TRP A 29 2.521 4.412 5.936 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.702 3.086 5.229 1.00 0.00 H new ATOM 0 HE1 TRP A 29 7.158 3.751 4.759 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.074 8.152 4.988 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 8.589 6.136 4.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 6.043 9.567 4.551 1.00 0.00 H new ATOM 0 HH2 TRP A 29 8.268 8.569 4.227 1.00 0.00 H new ATOM 400 N CYS A 30 2.198 7.732 3.327 1.00 0.00 N ATOM 401 CA CYS A 30 2.722 8.819 2.508 1.00 0.00 C ATOM 402 C CYS A 30 2.763 10.124 3.297 1.00 0.00 C ATOM 403 O CYS A 30 1.860 10.415 4.080 1.00 0.00 O ATOM 404 CB CYS A 30 1.868 8.996 1.251 1.00 0.00 C ATOM 405 SG CYS A 30 0.181 9.558 1.578 1.00 0.00 S ATOM 0 H CYS A 30 1.469 8.012 3.983 1.00 0.00 H new ATOM 0 HA CYS A 30 3.739 8.561 2.214 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.357 9.712 0.591 1.00 0.00 H new ATOM 0 HB3 CYS A 30 1.826 8.047 0.717 1.00 0.00 H new ATOM 0 HG CYS A 30 -0.089 10.583 0.825 1.00 0.00 H new ATOM 411 N GLU A 31 3.818 10.904 3.085 1.00 0.00 N ATOM 412 CA GLU A 31 3.978 12.177 3.779 1.00 0.00 C ATOM 413 C GLU A 31 3.209 13.286 3.066 1.00 0.00 C ATOM 414 O GLU A 31 3.010 13.237 1.851 1.00 0.00 O ATOM 415 CB GLU A 31 5.459 12.549 3.874 1.00 0.00 C ATOM 416 CG GLU A 31 5.710 13.878 4.567 1.00 0.00 C ATOM 417 CD GLU A 31 7.143 14.030 5.037 1.00 0.00 C ATOM 418 OE1 GLU A 31 7.551 13.285 5.953 1.00 0.00 O ATOM 419 OE2 GLU A 31 7.858 14.894 4.487 1.00 0.00 O ATOM 0 H GLU A 31 4.574 10.677 2.439 1.00 0.00 H new ATOM 0 HA GLU A 31 3.573 12.066 4.785 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.989 11.763 4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.880 12.587 2.869 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.468 14.691 3.883 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.040 13.970 5.422 1.00 0.00 H new ATOM 426 N LEU A 32 2.779 14.284 3.829 1.00 0.00 N ATOM 427 CA LEU A 32 2.031 15.406 3.271 1.00 0.00 C ATOM 428 C LEU A 32 2.681 16.734 3.646 1.00 0.00 C ATOM 429 O LEU A 32 3.405 16.824 4.637 1.00 0.00 O ATOM 430 CB LEU A 32 0.584 15.376 3.767 1.00 0.00 C ATOM 431 CG LEU A 32 -0.426 16.171 2.938 1.00 0.00 C ATOM 432 CD1 LEU A 32 -0.349 15.769 1.473 1.00 0.00 C ATOM 433 CD2 LEU A 32 -1.835 15.967 3.475 1.00 0.00 C ATOM 0 H LEU A 32 2.935 14.340 4.835 1.00 0.00 H new ATOM 0 HA LEU A 32 2.039 15.312 2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.255 14.337 3.805 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.563 15.755 4.789 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.178 17.230 3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.075 16.345 0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.653 15.967 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.570 14.706 1.375 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.540 16.540 2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.093 14.909 3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.882 16.306 4.510 1.00 0.00 H new ATOM 445 N SER A 33 2.416 17.763 2.847 1.00 0.00 N ATOM 446 CA SER A 33 2.976 19.086 3.094 1.00 0.00 C ATOM 447 C SER A 33 2.204 19.807 4.194 1.00 0.00 C ATOM 448 O SER A 33 2.766 20.607 4.943 1.00 0.00 O ATOM 449 CB SER A 33 2.956 19.919 1.811 1.00 0.00 C ATOM 450 OG SER A 33 1.745 20.645 1.694 1.00 0.00 O ATOM 0 H SER A 33 1.817 17.706 2.023 1.00 0.00 H new ATOM 0 HA SER A 33 4.008 18.961 3.422 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.799 20.609 1.809 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.077 19.265 0.947 1.00 0.00 H new ATOM 0 HG SER A 33 1.819 21.288 0.958 1.00 0.00 H new ATOM 456 N LYS A 34 0.910 19.518 4.287 1.00 0.00 N ATOM 457 CA LYS A 34 0.057 20.136 5.295 1.00 0.00 C ATOM 458 C LYS A 34 -0.953 19.133 5.842 1.00 0.00 C ATOM 459 O LYS A 34 -1.817 18.648 5.113 1.00 0.00 O ATOM 460 CB LYS A 34 -0.675 21.343 4.703 1.00 0.00 C ATOM 461 CG LYS A 34 -1.965 21.687 5.428 1.00 0.00 C ATOM 462 CD LYS A 34 -1.695 22.207 6.830 1.00 0.00 C ATOM 463 CE LYS A 34 -2.942 22.822 7.446 1.00 0.00 C ATOM 464 NZ LYS A 34 -3.313 24.104 6.784 1.00 0.00 N ATOM 0 H LYS A 34 0.429 18.859 3.675 1.00 0.00 H new ATOM 0 HA LYS A 34 0.691 20.471 6.116 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.012 22.208 4.728 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.899 21.144 3.655 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.514 22.438 4.860 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.600 20.802 5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.341 21.391 7.460 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.900 22.951 6.796 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -3.771 22.119 7.366 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.774 22.997 8.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.984 24.624 7.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.459 24.680 6.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.755 23.904 5.864 1.00 0.00 H new ATOM 478 N ALA A 35 -0.839 18.828 7.131 1.00 0.00 N ATOM 479 CA ALA A 35 -1.745 17.886 7.776 1.00 0.00 C ATOM 480 C ALA A 35 -3.185 18.117 7.331 1.00 0.00 C ATOM 481 O ALA A 35 -3.841 19.055 7.782 1.00 0.00 O ATOM 482 CB ALA A 35 -1.634 17.999 9.289 1.00 0.00 C ATOM 0 H ALA A 35 -0.128 19.220 7.749 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.456 16.879 7.476 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -2.316 17.290 9.758 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.612 17.777 9.596 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.894 19.011 9.598 1.00 0.00 H new ATOM 488 N ALA A 36 -3.671 17.255 6.443 1.00 0.00 N ATOM 489 CA ALA A 36 -5.034 17.365 5.938 1.00 0.00 C ATOM 490 C ALA A 36 -5.655 15.988 5.733 1.00 0.00 C ATOM 491 O ALA A 36 -4.961 14.988 5.548 1.00 0.00 O ATOM 492 CB ALA A 36 -5.053 18.154 4.638 1.00 0.00 C ATOM 0 H ALA A 36 -3.141 16.473 6.059 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.629 17.896 6.681 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.077 18.228 4.272 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.657 19.154 4.814 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.438 17.646 3.895 1.00 0.00 H new ATOM 498 N PRO A 37 -6.995 15.931 5.766 1.00 0.00 N ATOM 499 CA PRO A 37 -7.739 14.681 5.585 1.00 0.00 C ATOM 500 C PRO A 37 -7.655 14.158 4.155 1.00 0.00 C ATOM 501 O PRO A 37 -8.393 14.602 3.276 1.00 0.00 O ATOM 502 CB PRO A 37 -9.179 15.074 5.927 1.00 0.00 C ATOM 503 CG PRO A 37 -9.248 16.537 5.654 1.00 0.00 C ATOM 504 CD PRO A 37 -7.886 17.083 5.981 1.00 0.00 C ATOM 0 HA PRO A 37 -7.343 13.877 6.205 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.895 14.523 5.317 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.412 14.854 6.969 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.505 16.728 4.612 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.016 17.012 6.264 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -7.623 17.920 5.334 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -7.834 17.445 7.008 1.00 0.00 H new ATOM 512 N VAL A 38 -6.750 13.210 3.929 1.00 0.00 N ATOM 513 CA VAL A 38 -6.571 12.625 2.606 1.00 0.00 C ATOM 514 C VAL A 38 -7.675 11.621 2.295 1.00 0.00 C ATOM 515 O VAL A 38 -8.506 11.314 3.149 1.00 0.00 O ATOM 516 CB VAL A 38 -5.205 11.923 2.484 1.00 0.00 C ATOM 517 CG1 VAL A 38 -4.076 12.892 2.803 1.00 0.00 C ATOM 518 CG2 VAL A 38 -5.148 10.707 3.395 1.00 0.00 C ATOM 0 H VAL A 38 -6.130 12.831 4.645 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.616 13.444 1.888 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.081 11.584 1.456 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.119 12.378 2.712 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.107 13.729 2.105 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -4.192 13.264 3.821 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.176 10.223 3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.294 11.020 4.429 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.933 10.005 3.114 1.00 0.00 H new ATOM 528 N GLU A 39 -7.677 11.113 1.066 1.00 0.00 N ATOM 529 CA GLU A 39 -8.680 10.144 0.642 1.00 0.00 C ATOM 530 C GLU A 39 -8.042 9.021 -0.172 1.00 0.00 C ATOM 531 O GLU A 39 -7.387 9.270 -1.184 1.00 0.00 O ATOM 532 CB GLU A 39 -9.769 10.832 -0.183 1.00 0.00 C ATOM 533 CG GLU A 39 -10.813 9.873 -0.732 1.00 0.00 C ATOM 534 CD GLU A 39 -11.472 10.390 -1.996 1.00 0.00 C ATOM 535 OE1 GLU A 39 -10.759 10.969 -2.843 1.00 0.00 O ATOM 536 OE2 GLU A 39 -12.700 10.216 -2.139 1.00 0.00 O ATOM 0 H GLU A 39 -6.995 11.357 0.347 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.130 9.711 1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.264 11.580 0.436 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.303 11.363 -1.013 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.344 8.911 -0.938 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.576 9.700 0.027 1.00 0.00 H new ATOM 543 N TRP A 40 -8.239 7.787 0.278 1.00 0.00 N ATOM 544 CA TRP A 40 -7.682 6.627 -0.408 1.00 0.00 C ATOM 545 C TRP A 40 -8.676 6.063 -1.418 1.00 0.00 C ATOM 546 O TRP A 40 -9.885 6.077 -1.186 1.00 0.00 O ATOM 547 CB TRP A 40 -7.297 5.547 0.604 1.00 0.00 C ATOM 548 CG TRP A 40 -6.236 5.987 1.567 1.00 0.00 C ATOM 549 CD1 TRP A 40 -6.390 6.839 2.623 1.00 0.00 C ATOM 550 CD2 TRP A 40 -4.859 5.597 1.562 1.00 0.00 C ATOM 551 NE1 TRP A 40 -5.191 7.004 3.274 1.00 0.00 N ATOM 552 CE2 TRP A 40 -4.236 6.251 2.643 1.00 0.00 C ATOM 553 CE3 TRP A 40 -4.091 4.758 0.750 1.00 0.00 C ATOM 554 CZ2 TRP A 40 -2.883 6.092 2.930 1.00 0.00 C ATOM 555 CZ3 TRP A 40 -2.748 4.601 1.036 1.00 0.00 C ATOM 556 CH2 TRP A 40 -2.155 5.264 2.119 1.00 0.00 C ATOM 0 H TRP A 40 -8.780 7.564 1.114 1.00 0.00 H new ATOM 0 HA TRP A 40 -6.789 6.947 -0.945 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -8.184 5.250 1.163 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.948 4.665 0.068 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.318 7.314 2.905 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.037 7.591 4.094 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -4.539 4.242 -0.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.424 6.604 3.763 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.145 3.956 0.414 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -1.103 5.119 2.317 1.00 0.00 H new ATOM 567 N ARG A 41 -8.159 5.567 -2.537 1.00 0.00 N ATOM 568 CA ARG A 41 -9.002 5.000 -3.582 1.00 0.00 C ATOM 569 C ARG A 41 -8.413 3.694 -4.107 1.00 0.00 C ATOM 570 O ARG A 41 -7.229 3.622 -4.436 1.00 0.00 O ATOM 571 CB ARG A 41 -9.167 5.996 -4.732 1.00 0.00 C ATOM 572 CG ARG A 41 -9.838 7.296 -4.319 1.00 0.00 C ATOM 573 CD ARG A 41 -9.494 8.428 -5.275 1.00 0.00 C ATOM 574 NE ARG A 41 -10.326 8.403 -6.475 1.00 0.00 N ATOM 575 CZ ARG A 41 -10.490 9.449 -7.277 1.00 0.00 C ATOM 576 NH1 ARG A 41 -9.881 10.596 -7.010 1.00 0.00 N ATOM 577 NH2 ARG A 41 -11.264 9.349 -8.350 1.00 0.00 N ATOM 0 H ARG A 41 -7.160 5.546 -2.743 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.980 4.790 -3.150 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.186 6.220 -5.151 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -9.753 5.530 -5.524 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.919 7.157 -4.292 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.526 7.563 -3.309 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.621 9.383 -4.766 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.444 8.355 -5.560 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.807 7.535 -6.710 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.284 10.677 -6.187 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -10.009 11.397 -7.628 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.734 8.468 -8.560 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -11.389 10.153 -8.965 1.00 0.00 H new ATOM 591 N LYS A 42 -9.247 2.662 -4.182 1.00 0.00 N ATOM 592 CA LYS A 42 -8.811 1.358 -4.667 1.00 0.00 C ATOM 593 C LYS A 42 -9.320 1.106 -6.083 1.00 0.00 C ATOM 594 O LYS A 42 -10.415 0.579 -6.274 1.00 0.00 O ATOM 595 CB LYS A 42 -9.303 0.252 -3.732 1.00 0.00 C ATOM 596 CG LYS A 42 -8.900 -1.144 -4.175 1.00 0.00 C ATOM 597 CD LYS A 42 -9.411 -2.203 -3.214 1.00 0.00 C ATOM 598 CE LYS A 42 -9.198 -3.605 -3.765 1.00 0.00 C ATOM 599 NZ LYS A 42 -10.143 -4.587 -3.164 1.00 0.00 N ATOM 0 H LYS A 42 -10.230 2.704 -3.913 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.721 1.351 -4.685 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.912 0.433 -2.731 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.390 0.303 -3.663 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -9.293 -1.337 -5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.814 -1.206 -4.242 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.898 -2.105 -2.257 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.472 -2.043 -3.025 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.326 -3.593 -4.847 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -8.173 -3.920 -3.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.473 -5.245 -3.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.659 -5.120 -2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -10.958 -4.082 -2.760 1.00 0.00 H new ATOM 613 N GLY A 43 -8.517 1.485 -7.073 1.00 0.00 N ATOM 614 CA GLY A 43 -8.904 1.290 -8.458 1.00 0.00 C ATOM 615 C GLY A 43 -10.069 2.170 -8.863 1.00 0.00 C ATOM 616 O GLY A 43 -9.890 3.349 -9.170 1.00 0.00 O ATOM 0 H GLY A 43 -7.606 1.923 -6.940 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.051 1.501 -9.104 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.171 0.245 -8.614 1.00 0.00 H new ATOM 620 N HIS A 44 -11.269 1.596 -8.867 1.00 0.00 N ATOM 621 CA HIS A 44 -12.469 2.336 -9.239 1.00 0.00 C ATOM 622 C HIS A 44 -13.419 2.464 -8.052 1.00 0.00 C ATOM 623 O HIS A 44 -14.634 2.340 -8.202 1.00 0.00 O ATOM 624 CB HIS A 44 -13.179 1.645 -10.404 1.00 0.00 C ATOM 625 CG HIS A 44 -12.576 1.953 -11.740 1.00 0.00 C ATOM 626 ND1 HIS A 44 -12.939 3.048 -12.495 1.00 0.00 N ATOM 627 CD2 HIS A 44 -11.630 1.301 -12.455 1.00 0.00 C ATOM 628 CE1 HIS A 44 -12.242 3.056 -13.618 1.00 0.00 C ATOM 629 NE2 HIS A 44 -11.440 2.007 -13.618 1.00 0.00 N ATOM 0 H HIS A 44 -11.435 0.621 -8.617 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.167 3.336 -9.549 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -13.157 0.567 -10.244 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -14.227 1.945 -10.410 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -11.119 0.394 -12.165 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -12.316 3.795 -14.402 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -10.786 1.761 -14.361 1.00 0.00 H new ATOM 638 N GLU A 45 -12.856 2.711 -6.874 1.00 0.00 N ATOM 639 CA GLU A 45 -13.654 2.854 -5.662 1.00 0.00 C ATOM 640 C GLU A 45 -12.899 3.654 -4.604 1.00 0.00 C ATOM 641 O GLU A 45 -11.673 3.763 -4.648 1.00 0.00 O ATOM 642 CB GLU A 45 -14.028 1.478 -5.106 1.00 0.00 C ATOM 643 CG GLU A 45 -15.344 1.465 -4.347 1.00 0.00 C ATOM 644 CD GLU A 45 -15.169 1.759 -2.870 1.00 0.00 C ATOM 645 OE1 GLU A 45 -14.065 1.508 -2.343 1.00 0.00 O ATOM 646 OE2 GLU A 45 -16.135 2.240 -2.242 1.00 0.00 O ATOM 0 H GLU A 45 -11.851 2.816 -6.733 1.00 0.00 H new ATOM 0 HA GLU A 45 -14.565 3.394 -5.919 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -14.086 0.766 -5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -13.233 1.135 -4.444 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.018 2.203 -4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -15.818 0.491 -4.466 1.00 0.00 H new ATOM 653 N THR A 46 -13.640 4.213 -3.652 1.00 0.00 N ATOM 654 CA THR A 46 -13.042 5.004 -2.584 1.00 0.00 C ATOM 655 C THR A 46 -13.012 4.225 -1.274 1.00 0.00 C ATOM 656 O THR A 46 -14.056 3.941 -0.685 1.00 0.00 O ATOM 657 CB THR A 46 -13.807 6.323 -2.367 1.00 0.00 C ATOM 658 OG1 THR A 46 -13.832 7.081 -3.582 1.00 0.00 O ATOM 659 CG2 THR A 46 -13.162 7.147 -1.262 1.00 0.00 C ATOM 0 H THR A 46 -14.655 4.132 -3.599 1.00 0.00 H new ATOM 0 HA THR A 46 -12.021 5.231 -2.892 1.00 0.00 H new ATOM 0 HB THR A 46 -14.827 6.081 -2.070 1.00 0.00 H new ATOM 0 HG1 THR A 46 -14.322 7.917 -3.436 1.00 0.00 H new ATOM 0 HG21 THR A 46 -13.719 8.074 -1.127 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.171 6.579 -0.332 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.133 7.379 -1.535 1.00 0.00 H new ATOM 667 N LEU A 47 -11.811 3.884 -0.822 1.00 0.00 N ATOM 668 CA LEU A 47 -11.645 3.138 0.421 1.00 0.00 C ATOM 669 C LEU A 47 -12.378 3.823 1.570 1.00 0.00 C ATOM 670 O LEU A 47 -12.506 5.047 1.595 1.00 0.00 O ATOM 671 CB LEU A 47 -10.160 2.997 0.760 1.00 0.00 C ATOM 672 CG LEU A 47 -9.324 2.170 -0.217 1.00 0.00 C ATOM 673 CD1 LEU A 47 -7.870 2.126 0.229 1.00 0.00 C ATOM 674 CD2 LEU A 47 -9.888 0.763 -0.344 1.00 0.00 C ATOM 0 H LEU A 47 -10.938 4.112 -1.297 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.075 2.146 0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.726 3.995 0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.075 2.549 1.750 1.00 0.00 H new ATOM 0 HG LEU A 47 -9.368 2.647 -1.196 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -7.290 1.533 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -7.470 3.139 0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -7.807 1.674 1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.280 0.189 -1.043 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.876 0.277 0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.913 0.814 -0.711 1.00 0.00 H new ATOM 686 N ARG A 48 -12.855 3.026 2.520 1.00 0.00 N ATOM 687 CA ARG A 48 -13.574 3.556 3.672 1.00 0.00 C ATOM 688 C ARG A 48 -13.256 2.751 4.929 1.00 0.00 C ATOM 689 O ARG A 48 -12.956 1.559 4.855 1.00 0.00 O ATOM 690 CB ARG A 48 -15.081 3.539 3.411 1.00 0.00 C ATOM 691 CG ARG A 48 -15.509 4.428 2.254 1.00 0.00 C ATOM 692 CD ARG A 48 -17.022 4.456 2.103 1.00 0.00 C ATOM 693 NE ARG A 48 -17.429 4.674 0.718 1.00 0.00 N ATOM 694 CZ ARG A 48 -18.645 5.077 0.364 1.00 0.00 C ATOM 695 NH1 ARG A 48 -19.567 5.305 1.289 1.00 0.00 N ATOM 696 NH2 ARG A 48 -18.940 5.253 -0.918 1.00 0.00 N ATOM 0 H ARG A 48 -12.757 2.011 2.515 1.00 0.00 H new ATOM 0 HA ARG A 48 -13.250 4.585 3.829 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -15.394 2.515 3.207 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.601 3.857 4.314 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -15.140 5.441 2.416 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.057 4.068 1.330 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -17.440 3.514 2.460 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -17.435 5.246 2.731 1.00 0.00 H new ATOM 0 HE ARG A 48 -16.743 4.508 -0.018 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -19.344 5.171 2.275 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -20.499 5.614 1.014 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -18.233 5.079 -1.633 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -19.874 5.562 -1.189 1.00 0.00 H new ATOM 710 N ASP A 49 -13.323 3.411 6.080 1.00 0.00 N ATOM 711 CA ASP A 49 -13.043 2.757 7.353 1.00 0.00 C ATOM 712 C ASP A 49 -14.122 1.732 7.687 1.00 0.00 C ATOM 713 O ASP A 49 -15.282 2.083 7.898 1.00 0.00 O ATOM 714 CB ASP A 49 -12.944 3.794 8.473 1.00 0.00 C ATOM 715 CG ASP A 49 -12.953 3.162 9.850 1.00 0.00 C ATOM 716 OD1 ASP A 49 -14.041 2.753 10.308 1.00 0.00 O ATOM 717 OD2 ASP A 49 -11.873 3.077 10.472 1.00 0.00 O ATOM 0 H ASP A 49 -13.569 4.398 6.158 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.089 2.238 7.264 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.029 4.373 8.348 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -13.777 4.493 8.392 1.00 0.00 H new ATOM 722 N GLY A 50 -13.732 0.461 7.731 1.00 0.00 N ATOM 723 CA GLY A 50 -14.678 -0.595 8.038 1.00 0.00 C ATOM 724 C GLY A 50 -14.105 -1.628 8.988 1.00 0.00 C ATOM 725 O GLY A 50 -13.625 -1.288 10.070 1.00 0.00 O ATOM 0 H GLY A 50 -12.778 0.145 7.559 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -15.575 -0.159 8.478 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -14.983 -1.086 7.114 1.00 0.00 H new ATOM 729 N ASP A 51 -14.157 -2.893 8.586 1.00 0.00 N ATOM 730 CA ASP A 51 -13.640 -3.979 9.410 1.00 0.00 C ATOM 731 C ASP A 51 -12.305 -4.484 8.869 1.00 0.00 C ATOM 732 O ASP A 51 -11.380 -4.761 9.633 1.00 0.00 O ATOM 733 CB ASP A 51 -14.648 -5.128 9.468 1.00 0.00 C ATOM 734 CG ASP A 51 -16.023 -4.669 9.911 1.00 0.00 C ATOM 735 OD1 ASP A 51 -16.231 -4.510 11.131 1.00 0.00 O ATOM 736 OD2 ASP A 51 -16.892 -4.470 9.036 1.00 0.00 O ATOM 0 H ASP A 51 -14.552 -3.192 7.694 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.481 -3.594 10.417 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -14.722 -5.592 8.485 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -14.284 -5.892 10.155 1.00 0.00 H new ATOM 741 N ARG A 52 -12.214 -4.602 7.549 1.00 0.00 N ATOM 742 CA ARG A 52 -10.994 -5.075 6.906 1.00 0.00 C ATOM 743 C ARG A 52 -10.231 -3.918 6.269 1.00 0.00 C ATOM 744 O ARG A 52 -9.600 -4.078 5.223 1.00 0.00 O ATOM 745 CB ARG A 52 -11.326 -6.127 5.846 1.00 0.00 C ATOM 746 CG ARG A 52 -11.751 -7.465 6.428 1.00 0.00 C ATOM 747 CD ARG A 52 -12.163 -8.441 5.337 1.00 0.00 C ATOM 748 NE ARG A 52 -11.113 -8.621 4.338 1.00 0.00 N ATOM 749 CZ ARG A 52 -11.080 -9.635 3.481 1.00 0.00 C ATOM 750 NH1 ARG A 52 -12.035 -10.555 3.501 1.00 0.00 N ATOM 751 NH2 ARG A 52 -10.091 -9.730 2.602 1.00 0.00 N ATOM 0 H ARG A 52 -12.971 -4.377 6.903 1.00 0.00 H new ATOM 0 HA ARG A 52 -10.362 -5.526 7.671 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -12.124 -5.748 5.208 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.454 -6.278 5.210 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -10.930 -7.889 7.006 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.582 -7.316 7.117 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.406 -9.404 5.785 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.068 -8.079 4.850 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.364 -7.930 4.296 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.797 -10.485 4.176 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -12.008 -11.333 2.842 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.355 -9.024 2.584 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -10.066 -10.509 1.944 1.00 0.00 H new ATOM 765 N HIS A 53 -10.295 -2.752 6.904 1.00 0.00 N ATOM 766 CA HIS A 53 -9.610 -1.567 6.399 1.00 0.00 C ATOM 767 C HIS A 53 -9.418 -0.537 7.508 1.00 0.00 C ATOM 768 O HIS A 53 -10.293 -0.350 8.353 1.00 0.00 O ATOM 769 CB HIS A 53 -10.399 -0.950 5.244 1.00 0.00 C ATOM 770 CG HIS A 53 -10.438 -1.810 4.019 1.00 0.00 C ATOM 771 ND1 HIS A 53 -11.504 -2.627 3.706 1.00 0.00 N ATOM 772 CD2 HIS A 53 -9.535 -1.975 3.024 1.00 0.00 C ATOM 773 CE1 HIS A 53 -11.254 -3.259 2.574 1.00 0.00 C ATOM 774 NE2 HIS A 53 -10.065 -2.881 2.139 1.00 0.00 N ATOM 0 H HIS A 53 -10.814 -2.602 7.769 1.00 0.00 H new ATOM 0 HA HIS A 53 -8.628 -1.871 6.036 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -11.419 -0.756 5.575 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -9.959 0.014 4.988 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.576 -1.485 2.942 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -11.910 -3.965 2.086 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -9.614 -3.209 1.285 1.00 0.00 H new ATOM 783 N SER A 54 -8.267 0.128 7.498 1.00 0.00 N ATOM 784 CA SER A 54 -7.958 1.136 8.506 1.00 0.00 C ATOM 785 C SER A 54 -7.383 2.392 7.858 1.00 0.00 C ATOM 786 O SER A 54 -6.197 2.447 7.527 1.00 0.00 O ATOM 787 CB SER A 54 -6.968 0.577 9.530 1.00 0.00 C ATOM 788 OG SER A 54 -7.413 -0.666 10.043 1.00 0.00 O ATOM 0 H SER A 54 -7.533 -0.013 6.803 1.00 0.00 H new ATOM 0 HA SER A 54 -8.884 1.402 9.015 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.990 0.453 9.065 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.845 1.288 10.347 1.00 0.00 H new ATOM 0 HG SER A 54 -6.763 -1.003 10.694 1.00 0.00 H new ATOM 794 N LEU A 55 -8.230 3.399 7.681 1.00 0.00 N ATOM 795 CA LEU A 55 -7.808 4.657 7.073 1.00 0.00 C ATOM 796 C LEU A 55 -7.649 5.746 8.130 1.00 0.00 C ATOM 797 O LEU A 55 -8.634 6.260 8.658 1.00 0.00 O ATOM 798 CB LEU A 55 -8.821 5.100 6.016 1.00 0.00 C ATOM 799 CG LEU A 55 -8.974 4.178 4.806 1.00 0.00 C ATOM 800 CD1 LEU A 55 -9.920 3.031 5.126 1.00 0.00 C ATOM 801 CD2 LEU A 55 -9.472 4.961 3.599 1.00 0.00 C ATOM 0 H LEU A 55 -9.214 3.370 7.950 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.841 4.496 6.596 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.795 5.203 6.495 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.535 6.090 5.660 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.997 3.760 4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.017 2.385 4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.523 2.455 5.962 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.899 3.430 5.392 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.575 4.289 2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -10.440 5.407 3.829 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.758 5.748 3.356 1.00 0.00 H new ATOM 813 N ARG A 56 -6.402 6.093 8.431 1.00 0.00 N ATOM 814 CA ARG A 56 -6.113 7.121 9.423 1.00 0.00 C ATOM 815 C ARG A 56 -4.893 7.942 9.017 1.00 0.00 C ATOM 816 O ARG A 56 -4.252 7.658 8.005 1.00 0.00 O ATOM 817 CB ARG A 56 -5.880 6.485 10.795 1.00 0.00 C ATOM 818 CG ARG A 56 -4.731 5.491 10.818 1.00 0.00 C ATOM 819 CD ARG A 56 -4.508 4.930 12.214 1.00 0.00 C ATOM 820 NE ARG A 56 -3.731 5.840 13.052 1.00 0.00 N ATOM 821 CZ ARG A 56 -2.415 5.989 12.951 1.00 0.00 C ATOM 822 NH1 ARG A 56 -1.732 5.293 12.053 1.00 0.00 N ATOM 823 NH2 ARG A 56 -1.780 6.837 13.749 1.00 0.00 N ATOM 0 H ARG A 56 -5.575 5.677 8.002 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.974 7.787 9.480 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.683 7.272 11.522 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.793 5.980 11.112 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.940 4.675 10.126 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.820 5.978 10.471 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.472 4.737 12.685 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.991 3.973 12.142 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.226 6.391 13.753 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.217 4.641 11.437 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.721 5.410 11.978 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.302 7.375 14.441 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.769 6.951 13.671 1.00 0.00 H new ATOM 837 N GLN A 57 -4.578 8.959 9.812 1.00 0.00 N ATOM 838 CA GLN A 57 -3.436 9.821 9.534 1.00 0.00 C ATOM 839 C GLN A 57 -3.021 10.595 10.781 1.00 0.00 C ATOM 840 O GLN A 57 -3.690 10.533 11.813 1.00 0.00 O ATOM 841 CB GLN A 57 -3.768 10.794 8.402 1.00 0.00 C ATOM 842 CG GLN A 57 -4.433 12.076 8.877 1.00 0.00 C ATOM 843 CD GLN A 57 -4.568 13.107 7.773 1.00 0.00 C ATOM 844 OE1 GLN A 57 -5.641 13.671 7.563 1.00 0.00 O ATOM 845 NE2 GLN A 57 -3.475 13.358 7.061 1.00 0.00 N ATOM 0 H GLN A 57 -5.098 9.206 10.654 1.00 0.00 H new ATOM 0 HA GLN A 57 -2.603 9.189 9.227 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -2.851 11.046 7.870 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.425 10.297 7.688 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.421 11.843 9.274 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.852 12.500 9.696 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.606 12.866 7.270 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -3.505 14.042 6.305 1.00 0.00 H new ATOM 854 N ASP A 58 -1.916 11.324 10.679 1.00 0.00 N ATOM 855 CA ASP A 58 -1.412 12.111 11.798 1.00 0.00 C ATOM 856 C ASP A 58 -0.207 12.946 11.377 1.00 0.00 C ATOM 857 O ASP A 58 0.636 12.491 10.605 1.00 0.00 O ATOM 858 CB ASP A 58 -1.033 11.196 12.964 1.00 0.00 C ATOM 859 CG ASP A 58 -2.192 10.957 13.912 1.00 0.00 C ATOM 860 OD1 ASP A 58 -3.123 11.789 13.932 1.00 0.00 O ATOM 861 OD2 ASP A 58 -2.166 9.939 14.636 1.00 0.00 O ATOM 0 H ASP A 58 -1.351 11.387 9.832 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.204 12.787 12.120 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.684 10.240 12.573 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.202 11.638 13.514 1.00 0.00 H new ATOM 866 N GLY A 59 -0.132 14.170 11.891 1.00 0.00 N ATOM 867 CA GLY A 59 0.974 15.048 11.556 1.00 0.00 C ATOM 868 C GLY A 59 1.453 14.859 10.130 1.00 0.00 C ATOM 869 O GLY A 59 2.563 14.380 9.900 1.00 0.00 O ATOM 0 H GLY A 59 -0.817 14.569 12.533 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.667 16.084 11.699 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.801 14.863 12.241 1.00 0.00 H new ATOM 873 N SER A 60 0.614 15.236 9.170 1.00 0.00 N ATOM 874 CA SER A 60 0.956 15.100 7.759 1.00 0.00 C ATOM 875 C SER A 60 1.484 13.700 7.461 1.00 0.00 C ATOM 876 O SER A 60 2.366 13.524 6.620 1.00 0.00 O ATOM 877 CB SER A 60 1.999 16.146 7.363 1.00 0.00 C ATOM 878 OG SER A 60 1.578 17.450 7.727 1.00 0.00 O ATOM 0 H SER A 60 -0.307 15.638 9.344 1.00 0.00 H new ATOM 0 HA SER A 60 0.051 15.260 7.173 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.949 15.919 7.847 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.171 16.103 6.288 1.00 0.00 H new ATOM 0 HG SER A 60 2.263 18.100 7.465 1.00 0.00 H new ATOM 884 N ARG A 61 0.937 12.708 8.155 1.00 0.00 N ATOM 885 CA ARG A 61 1.353 11.323 7.966 1.00 0.00 C ATOM 886 C ARG A 61 0.143 10.397 7.892 1.00 0.00 C ATOM 887 O ARG A 61 -0.488 10.101 8.908 1.00 0.00 O ATOM 888 CB ARG A 61 2.275 10.885 9.106 1.00 0.00 C ATOM 889 CG ARG A 61 3.170 9.710 8.748 1.00 0.00 C ATOM 890 CD ARG A 61 3.510 8.875 9.973 1.00 0.00 C ATOM 891 NE ARG A 61 2.504 7.849 10.231 1.00 0.00 N ATOM 892 CZ ARG A 61 2.352 7.249 11.407 1.00 0.00 C ATOM 893 NH1 ARG A 61 3.136 7.572 12.426 1.00 0.00 N ATOM 894 NH2 ARG A 61 1.414 6.324 11.564 1.00 0.00 N ATOM 0 H ARG A 61 0.205 12.837 8.853 1.00 0.00 H new ATOM 0 HA ARG A 61 1.896 11.259 7.023 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.898 11.729 9.402 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.668 10.618 9.971 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.672 9.085 8.007 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.089 10.077 8.290 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.482 8.402 9.831 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.596 9.526 10.843 1.00 0.00 H new ATOM 0 HE ARG A 61 1.884 7.578 9.467 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.858 8.283 12.309 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.017 7.110 13.327 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.809 6.073 10.782 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.298 5.864 12.467 1.00 0.00 H new ATOM 908 N CYS A 62 -0.175 9.944 6.685 1.00 0.00 N ATOM 909 CA CYS A 62 -1.311 9.052 6.478 1.00 0.00 C ATOM 910 C CYS A 62 -0.848 7.605 6.342 1.00 0.00 C ATOM 911 O CYS A 62 0.168 7.326 5.706 1.00 0.00 O ATOM 912 CB CYS A 62 -2.093 9.469 5.232 1.00 0.00 C ATOM 913 SG CYS A 62 -2.210 11.258 4.998 1.00 0.00 S ATOM 0 H CYS A 62 0.337 10.179 5.835 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.963 9.126 7.349 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -1.619 9.029 4.355 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.099 9.055 5.292 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.486 11.610 3.977 1.00 0.00 H new ATOM 919 N GLU A 63 -1.600 6.689 6.944 1.00 0.00 N ATOM 920 CA GLU A 63 -1.265 5.271 6.892 1.00 0.00 C ATOM 921 C GLU A 63 -2.510 4.427 6.635 1.00 0.00 C ATOM 922 O GLU A 63 -3.470 4.466 7.406 1.00 0.00 O ATOM 923 CB GLU A 63 -0.599 4.833 8.198 1.00 0.00 C ATOM 924 CG GLU A 63 0.268 3.594 8.054 1.00 0.00 C ATOM 925 CD GLU A 63 0.517 2.898 9.378 1.00 0.00 C ATOM 926 OE1 GLU A 63 -0.403 2.886 10.223 1.00 0.00 O ATOM 927 OE2 GLU A 63 1.630 2.367 9.570 1.00 0.00 O ATOM 0 H GLU A 63 -2.445 6.904 7.473 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.568 5.119 6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.013 5.652 8.576 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.371 4.641 8.943 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.212 2.897 7.366 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.223 3.873 7.610 1.00 0.00 H new ATOM 934 N LEU A 64 -2.486 3.665 5.548 1.00 0.00 N ATOM 935 CA LEU A 64 -3.613 2.811 5.187 1.00 0.00 C ATOM 936 C LEU A 64 -3.307 1.348 5.494 1.00 0.00 C ATOM 937 O LEU A 64 -2.176 0.893 5.328 1.00 0.00 O ATOM 938 CB LEU A 64 -3.948 2.973 3.704 1.00 0.00 C ATOM 939 CG LEU A 64 -4.853 1.900 3.098 1.00 0.00 C ATOM 940 CD1 LEU A 64 -6.255 1.994 3.682 1.00 0.00 C ATOM 941 CD2 LEU A 64 -4.895 2.030 1.583 1.00 0.00 C ATOM 0 H LEU A 64 -1.699 3.620 4.901 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.473 3.117 5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -4.425 3.943 3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.015 2.992 3.141 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.442 0.922 3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.886 1.223 3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.210 1.851 4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.675 2.976 3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.544 1.258 1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.282 3.012 1.313 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.889 1.913 1.180 1.00 0.00 H new ATOM 953 N GLN A 65 -4.324 0.617 5.940 1.00 0.00 N ATOM 954 CA GLN A 65 -4.163 -0.794 6.268 1.00 0.00 C ATOM 955 C GLN A 65 -5.260 -1.632 5.620 1.00 0.00 C ATOM 956 O GLN A 65 -6.430 -1.249 5.624 1.00 0.00 O ATOM 957 CB GLN A 65 -4.182 -0.993 7.785 1.00 0.00 C ATOM 958 CG GLN A 65 -3.362 -2.184 8.253 1.00 0.00 C ATOM 959 CD GLN A 65 -2.803 -1.995 9.650 1.00 0.00 C ATOM 960 OE1 GLN A 65 -2.825 -0.891 10.195 1.00 0.00 O ATOM 961 NE2 GLN A 65 -2.298 -3.074 10.237 1.00 0.00 N ATOM 0 H GLN A 65 -5.267 0.979 6.082 1.00 0.00 H new ATOM 0 HA GLN A 65 -3.200 -1.124 5.878 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -3.804 -0.091 8.266 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -5.213 -1.121 8.113 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -3.984 -3.079 8.233 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -2.540 -2.351 7.556 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -2.301 -3.969 9.748 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.908 -3.008 11.177 1.00 0.00 H new ATOM 970 N ILE A 66 -4.874 -2.776 5.065 1.00 0.00 N ATOM 971 CA ILE A 66 -5.825 -3.668 4.413 1.00 0.00 C ATOM 972 C ILE A 66 -5.733 -5.080 4.982 1.00 0.00 C ATOM 973 O ILE A 66 -4.804 -5.825 4.672 1.00 0.00 O ATOM 974 CB ILE A 66 -5.594 -3.723 2.892 1.00 0.00 C ATOM 975 CG1 ILE A 66 -5.714 -2.324 2.284 1.00 0.00 C ATOM 976 CG2 ILE A 66 -6.585 -4.676 2.240 1.00 0.00 C ATOM 977 CD1 ILE A 66 -4.983 -2.172 0.969 1.00 0.00 C ATOM 0 H ILE A 66 -3.909 -3.107 5.054 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.819 -3.265 4.606 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.586 -4.094 2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.768 -2.091 2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.325 -1.594 2.993 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -6.409 -4.704 1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.456 -5.676 2.655 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -7.601 -4.332 2.433 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.112 -1.156 0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.922 -2.373 1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.388 -2.878 0.244 1.00 0.00 H new ATOM 989 N ARG A 67 -6.704 -5.441 5.815 1.00 0.00 N ATOM 990 CA ARG A 67 -6.733 -6.764 6.426 1.00 0.00 C ATOM 991 C ARG A 67 -7.346 -7.789 5.476 1.00 0.00 C ATOM 992 O ARG A 67 -8.393 -7.547 4.878 1.00 0.00 O ATOM 993 CB ARG A 67 -7.526 -6.727 7.734 1.00 0.00 C ATOM 994 CG ARG A 67 -6.750 -6.138 8.901 1.00 0.00 C ATOM 995 CD ARG A 67 -7.564 -6.171 10.185 1.00 0.00 C ATOM 996 NE ARG A 67 -8.531 -5.078 10.248 1.00 0.00 N ATOM 997 CZ ARG A 67 -9.077 -4.644 11.379 1.00 0.00 C ATOM 998 NH1 ARG A 67 -8.751 -5.207 12.534 1.00 0.00 N ATOM 999 NH2 ARG A 67 -9.949 -3.645 11.355 1.00 0.00 N ATOM 0 H ARG A 67 -7.480 -4.836 6.082 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.706 -7.061 6.639 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.434 -6.144 7.582 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -7.836 -7.740 7.990 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.824 -6.695 9.042 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -6.471 -5.109 8.672 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -8.089 -7.124 10.257 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.893 -6.111 11.042 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.802 -4.623 9.376 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -8.080 -5.975 12.556 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -9.171 -4.872 13.401 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.201 -3.209 10.468 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.368 -3.313 12.224 1.00 0.00 H new ATOM 1013 N GLY A 68 -6.684 -8.934 5.343 1.00 0.00 N ATOM 1014 CA GLY A 68 -7.178 -9.978 4.464 1.00 0.00 C ATOM 1015 C GLY A 68 -6.773 -9.760 3.020 1.00 0.00 C ATOM 1016 O GLY A 68 -7.625 -9.658 2.136 1.00 0.00 O ATOM 0 H GLY A 68 -5.815 -9.157 5.828 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.800 -10.943 4.802 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -8.265 -10.021 4.531 1.00 0.00 H new ATOM 1020 N LEU A 69 -5.469 -9.686 2.777 1.00 0.00 N ATOM 1021 CA LEU A 69 -4.952 -9.476 1.430 1.00 0.00 C ATOM 1022 C LEU A 69 -5.459 -10.555 0.478 1.00 0.00 C ATOM 1023 O LEU A 69 -5.559 -11.724 0.847 1.00 0.00 O ATOM 1024 CB LEU A 69 -3.422 -9.470 1.444 1.00 0.00 C ATOM 1025 CG LEU A 69 -2.759 -8.121 1.723 1.00 0.00 C ATOM 1026 CD1 LEU A 69 -1.274 -8.303 1.997 1.00 0.00 C ATOM 1027 CD2 LEU A 69 -2.975 -7.169 0.556 1.00 0.00 C ATOM 0 H LEU A 69 -4.750 -9.768 3.496 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.309 -8.509 1.077 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.083 -10.182 2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.068 -9.834 0.479 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.221 -7.687 2.610 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.819 -7.332 2.193 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.141 -8.949 2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.797 -8.759 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.496 -6.214 0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.540 -7.597 -0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.043 -7.014 0.406 1.00 0.00 H new ATOM 1039 N ALA A 70 -5.774 -10.154 -0.749 1.00 0.00 N ATOM 1040 CA ALA A 70 -6.266 -11.087 -1.755 1.00 0.00 C ATOM 1041 C ALA A 70 -5.785 -10.696 -3.149 1.00 0.00 C ATOM 1042 O ALA A 70 -5.634 -9.513 -3.455 1.00 0.00 O ATOM 1043 CB ALA A 70 -7.785 -11.150 -1.718 1.00 0.00 C ATOM 0 H ALA A 70 -5.697 -9.189 -1.070 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.866 -12.075 -1.525 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.139 -11.851 -2.475 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.111 -11.484 -0.733 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.195 -10.161 -1.920 1.00 0.00 H new ATOM 1049 N VAL A 71 -5.545 -11.697 -3.989 1.00 0.00 N ATOM 1050 CA VAL A 71 -5.081 -11.458 -5.351 1.00 0.00 C ATOM 1051 C VAL A 71 -5.837 -10.300 -5.993 1.00 0.00 C ATOM 1052 O VAL A 71 -5.247 -9.461 -6.675 1.00 0.00 O ATOM 1053 CB VAL A 71 -5.244 -12.713 -6.228 1.00 0.00 C ATOM 1054 CG1 VAL A 71 -4.885 -12.405 -7.674 1.00 0.00 C ATOM 1055 CG2 VAL A 71 -4.393 -13.853 -5.690 1.00 0.00 C ATOM 0 H VAL A 71 -5.664 -12.682 -3.751 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.023 -11.206 -5.286 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.288 -13.024 -6.197 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.006 -13.304 -8.278 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.541 -11.622 -8.053 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.850 -12.068 -7.728 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -4.521 -14.732 -6.322 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.344 -13.555 -5.690 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -4.703 -14.090 -4.672 1.00 0.00 H new ATOM 1065 N VAL A 72 -7.147 -10.260 -5.771 1.00 0.00 N ATOM 1066 CA VAL A 72 -7.984 -9.204 -6.327 1.00 0.00 C ATOM 1067 C VAL A 72 -7.543 -7.832 -5.829 1.00 0.00 C ATOM 1068 O VAL A 72 -7.467 -6.875 -6.599 1.00 0.00 O ATOM 1069 CB VAL A 72 -9.467 -9.416 -5.967 1.00 0.00 C ATOM 1070 CG1 VAL A 72 -9.994 -10.692 -6.605 1.00 0.00 C ATOM 1071 CG2 VAL A 72 -9.649 -9.450 -4.458 1.00 0.00 C ATOM 0 H VAL A 72 -7.651 -10.947 -5.210 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.870 -9.247 -7.410 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.042 -8.578 -6.360 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -11.043 -10.825 -6.340 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.900 -10.623 -7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.418 -11.544 -6.244 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.702 -9.600 -4.222 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.063 -10.268 -4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -9.312 -8.506 -4.030 1.00 0.00 H new ATOM 1081 N ASP A 73 -7.252 -7.745 -4.535 1.00 0.00 N ATOM 1082 CA ASP A 73 -6.815 -6.490 -3.933 1.00 0.00 C ATOM 1083 C ASP A 73 -5.614 -5.918 -4.679 1.00 0.00 C ATOM 1084 O ASP A 73 -5.449 -4.702 -4.771 1.00 0.00 O ATOM 1085 CB ASP A 73 -6.463 -6.703 -2.460 1.00 0.00 C ATOM 1086 CG ASP A 73 -7.693 -6.816 -1.581 1.00 0.00 C ATOM 1087 OD1 ASP A 73 -8.246 -5.765 -1.194 1.00 0.00 O ATOM 1088 OD2 ASP A 73 -8.104 -7.956 -1.281 1.00 0.00 O ATOM 0 H ASP A 73 -7.311 -8.528 -3.884 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.636 -5.776 -4.003 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.864 -7.608 -2.360 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.847 -5.873 -2.113 1.00 0.00 H new ATOM 1093 N ALA A 74 -4.776 -6.804 -5.209 1.00 0.00 N ATOM 1094 CA ALA A 74 -3.591 -6.387 -5.947 1.00 0.00 C ATOM 1095 C ALA A 74 -3.971 -5.674 -7.240 1.00 0.00 C ATOM 1096 O ALA A 74 -4.703 -6.216 -8.067 1.00 0.00 O ATOM 1097 CB ALA A 74 -2.706 -7.588 -6.246 1.00 0.00 C ATOM 0 H ALA A 74 -4.897 -7.815 -5.141 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.035 -5.685 -5.325 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.824 -7.262 -6.798 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -2.397 -8.054 -5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.262 -8.310 -6.844 1.00 0.00 H new ATOM 1103 N GLY A 75 -3.471 -4.453 -7.406 1.00 0.00 N ATOM 1104 CA GLY A 75 -3.771 -3.685 -8.601 1.00 0.00 C ATOM 1105 C GLY A 75 -3.049 -2.353 -8.630 1.00 0.00 C ATOM 1106 O GLY A 75 -1.955 -2.245 -9.182 1.00 0.00 O ATOM 0 H GLY A 75 -2.864 -3.982 -6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -3.493 -4.265 -9.481 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -4.846 -3.514 -8.659 1.00 0.00 H new ATOM 1110 N GLU A 76 -3.663 -1.335 -8.034 1.00 0.00 N ATOM 1111 CA GLU A 76 -3.072 -0.003 -7.997 1.00 0.00 C ATOM 1112 C GLU A 76 -3.919 0.945 -7.152 1.00 0.00 C ATOM 1113 O GLU A 76 -5.027 1.318 -7.540 1.00 0.00 O ATOM 1114 CB GLU A 76 -2.924 0.554 -9.415 1.00 0.00 C ATOM 1115 CG GLU A 76 -2.488 2.009 -9.455 1.00 0.00 C ATOM 1116 CD GLU A 76 -1.684 2.342 -10.696 1.00 0.00 C ATOM 1117 OE1 GLU A 76 -2.087 1.915 -11.798 1.00 0.00 O ATOM 1118 OE2 GLU A 76 -0.650 3.031 -10.566 1.00 0.00 O ATOM 0 H GLU A 76 -4.569 -1.408 -7.571 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.085 -0.084 -7.542 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -2.197 -0.049 -9.959 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.876 0.454 -9.937 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.369 2.650 -9.414 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.892 2.230 -8.570 1.00 0.00 H new ATOM 1125 N TYR A 77 -3.391 1.330 -5.996 1.00 0.00 N ATOM 1126 CA TYR A 77 -4.098 2.231 -5.095 1.00 0.00 C ATOM 1127 C TYR A 77 -3.785 3.687 -5.424 1.00 0.00 C ATOM 1128 O TYR A 77 -2.732 3.997 -5.981 1.00 0.00 O ATOM 1129 CB TYR A 77 -3.722 1.933 -3.642 1.00 0.00 C ATOM 1130 CG TYR A 77 -4.218 0.591 -3.152 1.00 0.00 C ATOM 1131 CD1 TYR A 77 -3.609 -0.589 -3.560 1.00 0.00 C ATOM 1132 CD2 TYR A 77 -5.297 0.504 -2.280 1.00 0.00 C ATOM 1133 CE1 TYR A 77 -4.059 -1.817 -3.115 1.00 0.00 C ATOM 1134 CE2 TYR A 77 -5.753 -0.720 -1.829 1.00 0.00 C ATOM 1135 CZ TYR A 77 -5.131 -1.877 -2.249 1.00 0.00 C ATOM 1136 OH TYR A 77 -5.582 -3.098 -1.803 1.00 0.00 O ATOM 0 H TYR A 77 -2.475 1.032 -5.661 1.00 0.00 H new ATOM 0 HA TYR A 77 -5.168 2.069 -5.227 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.637 1.969 -3.541 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -4.128 2.717 -3.002 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.769 -0.546 -4.237 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -5.787 1.408 -1.950 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.574 -2.725 -3.443 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.592 -0.770 -1.151 1.00 0.00 H new ATOM 0 HH TYR A 77 -6.470 -2.992 -1.403 1.00 0.00 H new ATOM 1146 N SER A 78 -4.708 4.578 -5.075 1.00 0.00 N ATOM 1147 CA SER A 78 -4.533 6.002 -5.335 1.00 0.00 C ATOM 1148 C SER A 78 -4.893 6.828 -4.103 1.00 0.00 C ATOM 1149 O SER A 78 -5.893 6.563 -3.435 1.00 0.00 O ATOM 1150 CB SER A 78 -5.396 6.435 -6.522 1.00 0.00 C ATOM 1151 OG SER A 78 -5.046 5.719 -7.694 1.00 0.00 O ATOM 0 H SER A 78 -5.585 4.339 -4.611 1.00 0.00 H new ATOM 0 HA SER A 78 -3.484 6.176 -5.574 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.448 6.269 -6.291 1.00 0.00 H new ATOM 0 HB3 SER A 78 -5.273 7.504 -6.695 1.00 0.00 H new ATOM 0 HG SER A 78 -5.612 6.012 -8.438 1.00 0.00 H new ATOM 1157 N CYS A 79 -4.071 7.829 -3.810 1.00 0.00 N ATOM 1158 CA CYS A 79 -4.300 8.694 -2.658 1.00 0.00 C ATOM 1159 C CYS A 79 -4.190 10.163 -3.051 1.00 0.00 C ATOM 1160 O CYS A 79 -3.111 10.645 -3.397 1.00 0.00 O ATOM 1161 CB CYS A 79 -3.299 8.374 -1.546 1.00 0.00 C ATOM 1162 SG CYS A 79 -3.722 9.094 0.057 1.00 0.00 S ATOM 0 H CYS A 79 -3.240 8.062 -4.354 1.00 0.00 H new ATOM 0 HA CYS A 79 -5.310 8.510 -2.291 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.226 7.292 -1.438 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.314 8.732 -1.845 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.897 8.144 0.927 1.00 0.00 H new ATOM 1168 N VAL A 80 -5.314 10.871 -2.996 1.00 0.00 N ATOM 1169 CA VAL A 80 -5.344 12.286 -3.347 1.00 0.00 C ATOM 1170 C VAL A 80 -6.028 13.107 -2.260 1.00 0.00 C ATOM 1171 O VAL A 80 -7.077 12.721 -1.744 1.00 0.00 O ATOM 1172 CB VAL A 80 -6.073 12.517 -4.684 1.00 0.00 C ATOM 1173 CG1 VAL A 80 -7.376 11.733 -4.725 1.00 0.00 C ATOM 1174 CG2 VAL A 80 -6.327 14.001 -4.902 1.00 0.00 C ATOM 0 H VAL A 80 -6.216 10.488 -2.712 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.308 12.610 -3.446 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.436 12.158 -5.492 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -7.877 11.909 -5.677 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.164 10.669 -4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -8.022 12.058 -3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -6.843 14.146 -5.851 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -6.944 14.388 -4.091 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.376 14.534 -4.920 1.00 0.00 H new ATOM 1184 N CYS A 81 -5.426 14.240 -1.916 1.00 0.00 N ATOM 1185 CA CYS A 81 -5.977 15.117 -0.889 1.00 0.00 C ATOM 1186 C CYS A 81 -6.290 16.496 -1.462 1.00 0.00 C ATOM 1187 O CYS A 81 -5.930 17.518 -0.880 1.00 0.00 O ATOM 1188 CB CYS A 81 -4.997 15.248 0.278 1.00 0.00 C ATOM 1189 SG CYS A 81 -3.552 16.272 -0.082 1.00 0.00 S ATOM 0 H CYS A 81 -4.557 14.573 -2.333 1.00 0.00 H new ATOM 0 HA CYS A 81 -6.905 14.674 -0.528 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -5.523 15.670 1.134 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.660 14.253 0.569 1.00 0.00 H new ATOM 0 HG CYS A 81 -3.923 17.330 -0.740 1.00 0.00 H new ATOM 1195 N GLY A 82 -6.963 16.516 -2.608 1.00 0.00 N ATOM 1196 CA GLY A 82 -7.312 17.774 -3.242 1.00 0.00 C ATOM 1197 C GLY A 82 -7.054 17.762 -4.736 1.00 0.00 C ATOM 1198 O GLY A 82 -7.915 17.357 -5.517 1.00 0.00 O ATOM 0 H GLY A 82 -7.273 15.683 -3.109 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.365 17.989 -3.060 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.738 18.580 -2.784 1.00 0.00 H new ATOM 1202 N GLN A 83 -5.867 18.208 -5.133 1.00 0.00 N ATOM 1203 CA GLN A 83 -5.501 18.249 -6.544 1.00 0.00 C ATOM 1204 C GLN A 83 -4.504 17.144 -6.879 1.00 0.00 C ATOM 1205 O GLN A 83 -4.724 16.356 -7.799 1.00 0.00 O ATOM 1206 CB GLN A 83 -4.906 19.613 -6.899 1.00 0.00 C ATOM 1207 CG GLN A 83 -4.670 19.805 -8.388 1.00 0.00 C ATOM 1208 CD GLN A 83 -4.300 21.232 -8.741 1.00 0.00 C ATOM 1209 OE1 GLN A 83 -5.091 22.156 -8.548 1.00 0.00 O ATOM 1210 NE2 GLN A 83 -3.093 21.420 -9.262 1.00 0.00 N ATOM 0 H GLN A 83 -5.143 18.546 -4.499 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.404 18.090 -7.133 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -5.575 20.396 -6.542 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -3.960 19.736 -6.371 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -3.874 19.136 -8.715 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -5.570 19.521 -8.934 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -2.470 20.625 -9.405 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -2.789 22.359 -9.519 1.00 0.00 H new ATOM 1219 N GLU A 84 -3.408 17.094 -6.128 1.00 0.00 N ATOM 1220 CA GLU A 84 -2.378 16.086 -6.348 1.00 0.00 C ATOM 1221 C GLU A 84 -2.919 14.686 -6.074 1.00 0.00 C ATOM 1222 O GLU A 84 -3.449 14.413 -4.996 1.00 0.00 O ATOM 1223 CB GLU A 84 -1.166 16.360 -5.455 1.00 0.00 C ATOM 1224 CG GLU A 84 -0.341 17.556 -5.898 1.00 0.00 C ATOM 1225 CD GLU A 84 0.089 17.462 -7.349 1.00 0.00 C ATOM 1226 OE1 GLU A 84 -0.704 17.853 -8.231 1.00 0.00 O ATOM 1227 OE2 GLU A 84 1.220 16.997 -7.603 1.00 0.00 O ATOM 0 H GLU A 84 -3.211 17.739 -5.363 1.00 0.00 H new ATOM 0 HA GLU A 84 -2.071 16.140 -7.392 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.508 16.524 -4.433 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.529 15.476 -5.440 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.922 18.467 -5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.543 17.637 -5.265 1.00 0.00 H new ATOM 1234 N ARG A 85 -2.783 13.802 -7.057 1.00 0.00 N ATOM 1235 CA ARG A 85 -3.260 12.431 -6.923 1.00 0.00 C ATOM 1236 C ARG A 85 -2.190 11.438 -7.369 1.00 0.00 C ATOM 1237 O ARG A 85 -1.897 11.316 -8.559 1.00 0.00 O ATOM 1238 CB ARG A 85 -4.534 12.228 -7.746 1.00 0.00 C ATOM 1239 CG ARG A 85 -5.058 10.802 -7.716 1.00 0.00 C ATOM 1240 CD ARG A 85 -6.122 10.577 -8.779 1.00 0.00 C ATOM 1241 NE ARG A 85 -5.544 10.450 -10.114 1.00 0.00 N ATOM 1242 CZ ARG A 85 -6.246 10.582 -11.234 1.00 0.00 C ATOM 1243 NH1 ARG A 85 -7.545 10.844 -11.180 1.00 0.00 N ATOM 1244 NH2 ARG A 85 -5.649 10.453 -12.412 1.00 0.00 N ATOM 0 H ARG A 85 -2.346 14.011 -7.955 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.483 12.252 -5.871 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.308 12.898 -7.373 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -4.338 12.512 -8.780 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.233 10.107 -7.872 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.474 10.587 -6.732 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -6.687 9.676 -8.541 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.828 11.408 -8.767 1.00 0.00 H new ATOM 0 HE ARG A 85 -4.547 10.249 -10.191 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.008 10.945 -10.277 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -8.081 10.945 -12.042 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.650 10.252 -12.458 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.189 10.555 -13.271 1.00 0.00 H new ATOM 1258 N THR A 86 -1.610 10.729 -6.405 1.00 0.00 N ATOM 1259 CA THR A 86 -0.572 9.748 -6.697 1.00 0.00 C ATOM 1260 C THR A 86 -1.160 8.347 -6.824 1.00 0.00 C ATOM 1261 O THR A 86 -2.320 8.117 -6.482 1.00 0.00 O ATOM 1262 CB THR A 86 0.516 9.739 -5.607 1.00 0.00 C ATOM 1263 OG1 THR A 86 1.603 8.898 -6.007 1.00 0.00 O ATOM 1264 CG2 THR A 86 -0.050 9.250 -4.282 1.00 0.00 C ATOM 0 H THR A 86 -1.842 10.816 -5.415 1.00 0.00 H new ATOM 0 HA THR A 86 -0.122 10.038 -7.646 1.00 0.00 H new ATOM 0 HB THR A 86 0.876 10.759 -5.476 1.00 0.00 H new ATOM 0 HG1 THR A 86 2.291 8.899 -5.309 1.00 0.00 H new ATOM 0 HG21 THR A 86 0.737 9.252 -3.527 1.00 0.00 H new ATOM 0 HG22 THR A 86 -0.858 9.910 -3.966 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.435 8.237 -4.402 1.00 0.00 H new ATOM 1272 N SER A 87 -0.352 7.414 -7.317 1.00 0.00 N ATOM 1273 CA SER A 87 -0.794 6.035 -7.491 1.00 0.00 C ATOM 1274 C SER A 87 0.354 5.061 -7.240 1.00 0.00 C ATOM 1275 O SER A 87 1.519 5.388 -7.460 1.00 0.00 O ATOM 1276 CB SER A 87 -1.352 5.830 -8.901 1.00 0.00 C ATOM 1277 OG SER A 87 -2.367 6.776 -9.190 1.00 0.00 O ATOM 0 H SER A 87 0.612 7.588 -7.603 1.00 0.00 H new ATOM 0 HA SER A 87 -1.581 5.837 -6.764 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.547 5.921 -9.631 1.00 0.00 H new ATOM 0 HB3 SER A 87 -1.754 4.821 -8.993 1.00 0.00 H new ATOM 0 HG SER A 87 -3.203 6.501 -8.759 1.00 0.00 H new ATOM 1283 N ALA A 88 0.013 3.863 -6.776 1.00 0.00 N ATOM 1284 CA ALA A 88 1.013 2.840 -6.496 1.00 0.00 C ATOM 1285 C ALA A 88 0.459 1.444 -6.758 1.00 0.00 C ATOM 1286 O ALA A 88 -0.649 1.114 -6.334 1.00 0.00 O ATOM 1287 CB ALA A 88 1.499 2.956 -5.059 1.00 0.00 C ATOM 0 H ALA A 88 -0.948 3.577 -6.586 1.00 0.00 H new ATOM 0 HA ALA A 88 1.857 2.999 -7.167 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.245 2.186 -4.864 1.00 0.00 H new ATOM 0 HB2 ALA A 88 1.943 3.939 -4.903 1.00 0.00 H new ATOM 0 HB3 ALA A 88 0.657 2.826 -4.379 1.00 0.00 H new ATOM 1293 N THR A 89 1.236 0.625 -7.461 1.00 0.00 N ATOM 1294 CA THR A 89 0.822 -0.735 -7.781 1.00 0.00 C ATOM 1295 C THR A 89 1.058 -1.673 -6.603 1.00 0.00 C ATOM 1296 O THR A 89 2.082 -1.588 -5.924 1.00 0.00 O ATOM 1297 CB THR A 89 1.572 -1.276 -9.012 1.00 0.00 C ATOM 1298 OG1 THR A 89 1.514 -0.323 -10.080 1.00 0.00 O ATOM 1299 CG2 THR A 89 0.976 -2.597 -9.473 1.00 0.00 C ATOM 0 H THR A 89 2.156 0.881 -7.820 1.00 0.00 H new ATOM 0 HA THR A 89 -0.244 -0.696 -8.003 1.00 0.00 H new ATOM 0 HB THR A 89 2.612 -1.443 -8.730 1.00 0.00 H new ATOM 0 HG1 THR A 89 1.995 -0.674 -10.858 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.523 -2.959 -10.344 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.049 -3.329 -8.669 1.00 0.00 H new ATOM 0 HG23 THR A 89 -0.071 -2.451 -9.737 1.00 0.00 H new ATOM 1307 N LEU A 90 0.106 -2.568 -6.366 1.00 0.00 N ATOM 1308 CA LEU A 90 0.211 -3.525 -5.269 1.00 0.00 C ATOM 1309 C LEU A 90 0.503 -4.927 -5.795 1.00 0.00 C ATOM 1310 O LEU A 90 -0.062 -5.354 -6.802 1.00 0.00 O ATOM 1311 CB LEU A 90 -1.080 -3.534 -4.449 1.00 0.00 C ATOM 1312 CG LEU A 90 -0.953 -4.015 -3.003 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -0.821 -5.530 -2.954 1.00 0.00 C ATOM 1314 CD2 LEU A 90 0.236 -3.352 -2.322 1.00 0.00 C ATOM 0 H LEU A 90 -0.748 -2.652 -6.918 1.00 0.00 H new ATOM 0 HA LEU A 90 1.038 -3.218 -4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.488 -2.523 -4.440 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.806 -4.167 -4.959 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.858 -3.732 -2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.732 -5.854 -1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.703 -5.987 -3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.067 -5.836 -3.507 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.311 -3.706 -1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.150 -3.604 -2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.100 -2.271 -2.324 1.00 0.00 H new ATOM 1326 N THR A 91 1.388 -5.640 -5.105 1.00 0.00 N ATOM 1327 CA THR A 91 1.754 -6.994 -5.501 1.00 0.00 C ATOM 1328 C THR A 91 1.363 -8.005 -4.429 1.00 0.00 C ATOM 1329 O THR A 91 2.000 -8.089 -3.379 1.00 0.00 O ATOM 1330 CB THR A 91 3.265 -7.110 -5.774 1.00 0.00 C ATOM 1331 OG1 THR A 91 3.627 -6.285 -6.888 1.00 0.00 O ATOM 1332 CG2 THR A 91 3.655 -8.553 -6.057 1.00 0.00 C ATOM 0 H THR A 91 1.865 -5.302 -4.269 1.00 0.00 H new ATOM 0 HA THR A 91 1.209 -7.213 -6.419 1.00 0.00 H new ATOM 0 HB THR A 91 3.799 -6.774 -4.885 1.00 0.00 H new ATOM 0 HG1 THR A 91 4.590 -6.363 -7.054 1.00 0.00 H new ATOM 0 HG21 THR A 91 4.727 -8.610 -6.247 1.00 0.00 H new ATOM 0 HG22 THR A 91 3.406 -9.173 -5.196 1.00 0.00 H new ATOM 0 HG23 THR A 91 3.112 -8.912 -6.932 1.00 0.00 H new ATOM 1340 N VAL A 92 0.312 -8.772 -4.701 1.00 0.00 N ATOM 1341 CA VAL A 92 -0.162 -9.780 -3.760 1.00 0.00 C ATOM 1342 C VAL A 92 0.266 -11.178 -4.190 1.00 0.00 C ATOM 1343 O VAL A 92 -0.345 -11.783 -5.070 1.00 0.00 O ATOM 1344 CB VAL A 92 -1.696 -9.744 -3.625 1.00 0.00 C ATOM 1345 CG1 VAL A 92 -2.172 -10.810 -2.651 1.00 0.00 C ATOM 1346 CG2 VAL A 92 -2.160 -8.363 -3.185 1.00 0.00 C ATOM 0 H VAL A 92 -0.227 -8.715 -5.565 1.00 0.00 H new ATOM 0 HA VAL A 92 0.286 -9.547 -2.794 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.134 -9.956 -4.600 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -3.258 -10.769 -2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.872 -11.794 -3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.727 -10.633 -1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.246 -8.356 -3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.714 -8.119 -2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.852 -7.623 -3.924 1.00 0.00 H new ATOM 1356 N ARG A 93 1.322 -11.686 -3.562 1.00 0.00 N ATOM 1357 CA ARG A 93 1.833 -13.014 -3.879 1.00 0.00 C ATOM 1358 C ARG A 93 0.936 -14.098 -3.290 1.00 0.00 C ATOM 1359 O ARG A 93 0.932 -14.325 -2.080 1.00 0.00 O ATOM 1360 CB ARG A 93 3.260 -13.174 -3.351 1.00 0.00 C ATOM 1361 CG ARG A 93 4.227 -12.128 -3.879 1.00 0.00 C ATOM 1362 CD ARG A 93 5.671 -12.507 -3.591 1.00 0.00 C ATOM 1363 NE ARG A 93 5.981 -12.439 -2.166 1.00 0.00 N ATOM 1364 CZ ARG A 93 7.198 -12.626 -1.669 1.00 0.00 C ATOM 1365 NH1 ARG A 93 8.215 -12.890 -2.478 1.00 0.00 N ATOM 1366 NH2 ARG A 93 7.401 -12.548 -0.360 1.00 0.00 N ATOM 0 H ARG A 93 1.840 -11.198 -2.831 1.00 0.00 H new ATOM 0 HA ARG A 93 1.840 -13.123 -4.963 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.243 -13.124 -2.262 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.628 -14.164 -3.619 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.088 -12.012 -4.954 1.00 0.00 H new ATOM 0 HG3 ARG A 93 4.005 -11.163 -3.423 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.860 -13.517 -3.955 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.337 -11.840 -4.139 1.00 0.00 H new ATOM 0 HE ARG A 93 5.221 -12.237 -1.517 1.00 0.00 H new ATOM 0 HH11 ARG A 93 8.063 -12.950 -3.485 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.149 -13.033 -2.093 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.622 -12.344 0.266 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.336 -12.692 0.020 1.00 0.00 H new ATOM 1380 N ALA A 94 0.176 -14.764 -4.153 1.00 0.00 N ATOM 1381 CA ALA A 94 -0.724 -15.825 -3.718 1.00 0.00 C ATOM 1382 C ALA A 94 0.013 -16.858 -2.872 1.00 0.00 C ATOM 1383 O ALA A 94 1.025 -17.416 -3.296 1.00 0.00 O ATOM 1384 CB ALA A 94 -1.373 -16.493 -4.921 1.00 0.00 C ATOM 0 H ALA A 94 0.166 -14.588 -5.158 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.502 -15.376 -3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.042 -17.283 -4.581 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.941 -15.754 -5.485 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.601 -16.921 -5.560 1.00 0.00 H new ATOM 1390 N LEU A 95 -0.501 -17.107 -1.672 1.00 0.00 N ATOM 1391 CA LEU A 95 0.109 -18.073 -0.765 1.00 0.00 C ATOM 1392 C LEU A 95 0.326 -19.413 -1.461 1.00 0.00 C ATOM 1393 O LEU A 95 -0.384 -19.774 -2.400 1.00 0.00 O ATOM 1394 CB LEU A 95 -0.769 -18.264 0.473 1.00 0.00 C ATOM 1395 CG LEU A 95 -0.785 -17.106 1.471 1.00 0.00 C ATOM 1396 CD1 LEU A 95 -2.001 -17.200 2.379 1.00 0.00 C ATOM 1397 CD2 LEU A 95 0.496 -17.091 2.292 1.00 0.00 C ATOM 0 H LEU A 95 -1.338 -16.654 -1.305 1.00 0.00 H new ATOM 0 HA LEU A 95 1.080 -17.683 -0.458 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -1.792 -18.447 0.143 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -0.437 -19.162 0.994 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.846 -16.172 0.913 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.995 -16.367 3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.909 -17.160 1.777 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.972 -18.140 2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.467 -16.260 2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.588 -18.029 2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.352 -16.973 1.628 1.00 0.00 H new ATOM 1409 N PRO A 96 1.328 -20.170 -0.990 1.00 0.00 N ATOM 1410 CA PRO A 96 1.659 -21.483 -1.551 1.00 0.00 C ATOM 1411 C PRO A 96 0.594 -22.530 -1.244 1.00 0.00 C ATOM 1412 O PRO A 96 -0.222 -22.352 -0.340 1.00 0.00 O ATOM 1413 CB PRO A 96 2.977 -21.842 -0.859 1.00 0.00 C ATOM 1414 CG PRO A 96 2.953 -21.078 0.420 1.00 0.00 C ATOM 1415 CD PRO A 96 2.214 -19.802 0.127 1.00 0.00 C ATOM 0 HA PRO A 96 1.726 -21.456 -2.639 1.00 0.00 H new ATOM 0 HB2 PRO A 96 3.050 -22.914 -0.678 1.00 0.00 H new ATOM 0 HB3 PRO A 96 3.835 -21.563 -1.471 1.00 0.00 H new ATOM 0 HG2 PRO A 96 2.454 -21.647 1.205 1.00 0.00 H new ATOM 0 HG3 PRO A 96 3.964 -20.872 0.770 1.00 0.00 H new ATOM 0 HD2 PRO A 96 1.648 -19.458 0.992 1.00 0.00 H new ATOM 0 HD3 PRO A 96 2.895 -18.997 -0.149 1.00 0.00 H new ATOM 1423 N ALA A 97 0.608 -23.622 -2.001 1.00 0.00 N ATOM 1424 CA ALA A 97 -0.355 -24.698 -1.808 1.00 0.00 C ATOM 1425 C ALA A 97 0.323 -25.951 -1.264 1.00 0.00 C ATOM 1426 O ALA A 97 1.544 -26.092 -1.344 1.00 0.00 O ATOM 1427 CB ALA A 97 -1.069 -25.008 -3.115 1.00 0.00 C ATOM 0 H ALA A 97 1.276 -23.785 -2.754 1.00 0.00 H new ATOM 0 HA ALA A 97 -1.090 -24.367 -1.074 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.786 -25.814 -2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -1.595 -24.118 -3.462 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -0.339 -25.314 -3.865 1.00 0.00 H new ATOM 1433 N ARG A 98 -0.475 -26.858 -0.711 1.00 0.00 N ATOM 1434 CA ARG A 98 0.049 -28.098 -0.152 1.00 0.00 C ATOM 1435 C ARG A 98 0.780 -28.908 -1.218 1.00 0.00 C ATOM 1436 O ARG A 98 0.160 -29.635 -1.994 1.00 0.00 O ATOM 1437 CB ARG A 98 -1.085 -28.931 0.449 1.00 0.00 C ATOM 1438 CG ARG A 98 -1.656 -28.347 1.731 1.00 0.00 C ATOM 1439 CD ARG A 98 -0.713 -28.555 2.906 1.00 0.00 C ATOM 1440 NE ARG A 98 -1.156 -27.836 4.098 1.00 0.00 N ATOM 1441 CZ ARG A 98 -2.114 -28.274 4.907 1.00 0.00 C ATOM 1442 NH1 ARG A 98 -2.725 -29.423 4.654 1.00 0.00 N ATOM 1443 NH2 ARG A 98 -2.462 -27.563 5.972 1.00 0.00 N ATOM 0 H ARG A 98 -1.487 -26.757 -0.638 1.00 0.00 H new ATOM 0 HA ARG A 98 0.758 -27.842 0.635 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -1.885 -29.024 -0.286 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -0.718 -29.937 0.650 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.841 -27.281 1.596 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -2.617 -28.813 1.948 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -0.643 -29.619 3.130 1.00 0.00 H new ATOM 0 HD3 ARG A 98 0.287 -28.220 2.632 1.00 0.00 H new ATOM 0 HE ARG A 98 -0.705 -26.949 4.321 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -2.460 -29.973 3.837 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.460 -29.757 5.277 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -1.994 -26.679 6.170 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -3.198 -27.901 6.592 1.00 0.00 H new ATOM 1457 N PHE A 99 2.102 -28.778 -1.249 1.00 0.00 N ATOM 1458 CA PHE A 99 2.918 -29.497 -2.221 1.00 0.00 C ATOM 1459 C PHE A 99 4.348 -29.663 -1.714 1.00 0.00 C ATOM 1460 O PHE A 99 4.920 -28.743 -1.127 1.00 0.00 O ATOM 1461 CB PHE A 99 2.923 -28.759 -3.561 1.00 0.00 C ATOM 1462 CG PHE A 99 3.436 -29.590 -4.701 1.00 0.00 C ATOM 1463 CD1 PHE A 99 2.622 -30.530 -5.313 1.00 0.00 C ATOM 1464 CD2 PHE A 99 4.733 -29.432 -5.162 1.00 0.00 C ATOM 1465 CE1 PHE A 99 3.093 -31.296 -6.362 1.00 0.00 C ATOM 1466 CE2 PHE A 99 5.209 -30.195 -6.212 1.00 0.00 C ATOM 1467 CZ PHE A 99 4.388 -31.128 -6.813 1.00 0.00 C ATOM 0 H PHE A 99 2.631 -28.182 -0.613 1.00 0.00 H new ATOM 0 HA PHE A 99 2.483 -30.487 -2.361 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.909 -28.430 -3.789 1.00 0.00 H new ATOM 0 HB3 PHE A 99 3.536 -27.862 -3.471 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.608 -30.665 -4.966 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.380 -28.704 -4.695 1.00 0.00 H new ATOM 0 HE1 PHE A 99 2.449 -32.026 -6.829 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.222 -30.061 -6.562 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.757 -31.725 -7.634 1.00 0.00 H new ATOM 1477 N ILE A 100 4.918 -30.840 -1.944 1.00 0.00 N ATOM 1478 CA ILE A 100 6.281 -31.126 -1.511 1.00 0.00 C ATOM 1479 C ILE A 100 7.265 -30.986 -2.667 1.00 0.00 C ATOM 1480 O ILE A 100 7.301 -31.821 -3.570 1.00 0.00 O ATOM 1481 CB ILE A 100 6.398 -32.544 -0.922 1.00 0.00 C ATOM 1482 CG1 ILE A 100 5.455 -32.703 0.273 1.00 0.00 C ATOM 1483 CG2 ILE A 100 7.835 -32.829 -0.510 1.00 0.00 C ATOM 1484 CD1 ILE A 100 5.234 -34.143 0.681 1.00 0.00 C ATOM 0 H ILE A 100 4.458 -31.611 -2.428 1.00 0.00 H new ATOM 0 HA ILE A 100 6.526 -30.398 -0.737 1.00 0.00 H new ATOM 0 HB ILE A 100 6.109 -33.264 -1.687 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.860 -32.152 1.121 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.493 -32.251 0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.902 -33.835 -0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.485 -32.751 -1.381 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.148 -32.105 0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.556 -34.180 1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.799 -34.695 -0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.188 -34.594 0.956 1.00 0.00 H new ATOM 1496 N GLU A 101 8.064 -29.924 -2.631 1.00 0.00 N ATOM 1497 CA GLU A 101 9.051 -29.675 -3.676 1.00 0.00 C ATOM 1498 C GLU A 101 10.215 -30.656 -3.570 1.00 0.00 C ATOM 1499 O GLU A 101 10.907 -30.922 -4.552 1.00 0.00 O ATOM 1500 CB GLU A 101 9.570 -28.238 -3.586 1.00 0.00 C ATOM 1501 CG GLU A 101 10.060 -27.854 -2.200 1.00 0.00 C ATOM 1502 CD GLU A 101 10.916 -26.603 -2.210 1.00 0.00 C ATOM 1503 OE1 GLU A 101 12.070 -26.676 -2.683 1.00 0.00 O ATOM 1504 OE2 GLU A 101 10.432 -25.550 -1.745 1.00 0.00 O ATOM 0 H GLU A 101 8.047 -29.223 -1.890 1.00 0.00 H new ATOM 0 HA GLU A 101 8.565 -29.818 -4.641 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.385 -28.109 -4.299 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.775 -27.554 -3.884 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.202 -27.698 -1.546 1.00 0.00 H new ATOM 0 HG3 GLU A 101 10.635 -28.680 -1.780 1.00 0.00 H new ATOM 1511 N SER A 102 10.424 -31.189 -2.371 1.00 0.00 N ATOM 1512 CA SER A 102 11.507 -32.137 -2.135 1.00 0.00 C ATOM 1513 C SER A 102 11.110 -33.162 -1.076 1.00 0.00 C ATOM 1514 O SER A 102 10.874 -32.816 0.081 1.00 0.00 O ATOM 1515 CB SER A 102 12.773 -31.399 -1.697 1.00 0.00 C ATOM 1516 OG SER A 102 12.564 -30.707 -0.478 1.00 0.00 O ATOM 0 H SER A 102 9.858 -30.981 -1.548 1.00 0.00 H new ATOM 0 HA SER A 102 11.707 -32.663 -3.069 1.00 0.00 H new ATOM 0 HB2 SER A 102 13.590 -32.111 -1.579 1.00 0.00 H new ATOM 0 HB3 SER A 102 13.073 -30.694 -2.472 1.00 0.00 H new ATOM 0 HG SER A 102 11.931 -31.207 0.078 1.00 0.00 H new ATOM 1522 N GLY A 103 11.038 -34.426 -1.482 1.00 0.00 N ATOM 1523 CA GLY A 103 10.670 -35.482 -0.557 1.00 0.00 C ATOM 1524 C GLY A 103 11.429 -35.398 0.752 1.00 0.00 C ATOM 1525 O GLY A 103 12.474 -34.753 0.848 1.00 0.00 O ATOM 0 H GLY A 103 11.228 -34.737 -2.435 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.600 -35.428 -0.357 1.00 0.00 H new ATOM 0 HA3 GLY A 103 10.859 -36.450 -1.022 1.00 0.00 H new ATOM 1529 N PRO A 104 10.900 -36.060 1.791 1.00 0.00 N ATOM 1530 CA PRO A 104 11.518 -36.071 3.120 1.00 0.00 C ATOM 1531 C PRO A 104 12.817 -36.868 3.149 1.00 0.00 C ATOM 1532 O PRO A 104 13.675 -36.645 4.003 1.00 0.00 O ATOM 1533 CB PRO A 104 10.459 -36.743 3.998 1.00 0.00 C ATOM 1534 CG PRO A 104 9.668 -37.586 3.059 1.00 0.00 C ATOM 1535 CD PRO A 104 9.657 -36.849 1.749 1.00 0.00 C ATOM 0 HA PRO A 104 11.792 -35.069 3.450 1.00 0.00 H new ATOM 0 HB2 PRO A 104 10.919 -37.347 4.781 1.00 0.00 H new ATOM 0 HB3 PRO A 104 9.829 -36.004 4.494 1.00 0.00 H new ATOM 0 HG2 PRO A 104 10.117 -38.573 2.948 1.00 0.00 H new ATOM 0 HG3 PRO A 104 8.654 -37.737 3.430 1.00 0.00 H new ATOM 0 HD2 PRO A 104 9.645 -37.535 0.902 1.00 0.00 H new ATOM 0 HD3 PRO A 104 8.779 -36.210 1.655 1.00 0.00 H new ATOM 1543 N SER A 105 12.956 -37.799 2.210 1.00 0.00 N ATOM 1544 CA SER A 105 14.150 -38.632 2.130 1.00 0.00 C ATOM 1545 C SER A 105 15.413 -37.779 2.199 1.00 0.00 C ATOM 1546 O SER A 105 16.323 -38.059 2.979 1.00 0.00 O ATOM 1547 CB SER A 105 14.143 -39.448 0.835 1.00 0.00 C ATOM 1548 OG SER A 105 14.046 -38.604 -0.299 1.00 0.00 O ATOM 0 H SER A 105 12.256 -37.995 1.494 1.00 0.00 H new ATOM 0 HA SER A 105 14.145 -39.313 2.981 1.00 0.00 H new ATOM 0 HB2 SER A 105 15.054 -40.044 0.772 1.00 0.00 H new ATOM 0 HB3 SER A 105 13.306 -40.146 0.846 1.00 0.00 H new ATOM 0 HG SER A 105 14.045 -39.149 -1.113 1.00 0.00 H new ATOM 1554 N SER A 106 15.461 -36.735 1.377 1.00 0.00 N ATOM 1555 CA SER A 106 16.613 -35.842 1.341 1.00 0.00 C ATOM 1556 C SER A 106 16.529 -34.802 2.454 1.00 0.00 C ATOM 1557 O SER A 106 15.603 -33.994 2.495 1.00 0.00 O ATOM 1558 CB SER A 106 16.703 -35.146 -0.018 1.00 0.00 C ATOM 1559 OG SER A 106 17.405 -35.944 -0.955 1.00 0.00 O ATOM 0 H SER A 106 14.715 -36.487 0.727 1.00 0.00 H new ATOM 0 HA SER A 106 17.511 -36.441 1.494 1.00 0.00 H new ATOM 0 HB2 SER A 106 15.700 -34.939 -0.391 1.00 0.00 H new ATOM 0 HB3 SER A 106 17.205 -34.185 0.095 1.00 0.00 H new ATOM 0 HG SER A 106 17.447 -35.477 -1.816 1.00 0.00 H new ATOM 1565 N GLY A 107 17.506 -34.829 3.356 1.00 0.00 N ATOM 1566 CA GLY A 107 17.525 -33.885 4.457 1.00 0.00 C ATOM 1567 C GLY A 107 18.292 -34.407 5.656 1.00 0.00 C ATOM 1568 O GLY A 107 17.847 -35.338 6.328 1.00 0.00 O ATOM 0 H GLY A 107 18.284 -35.488 3.343 1.00 0.00 H new ATOM 0 HA2 GLY A 107 17.974 -32.950 4.122 1.00 0.00 H new ATOM 0 HA3 GLY A 107 16.501 -33.659 4.755 1.00 0.00 H new TER 1572 GLY A 107