USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 824 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 51 THR OG1 : rot -31:sc= 0.509 USER MOD Set 1.2: A 55 THR OG1 : rot -27:sc= 0.261 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 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0555 USER MOD Single : A 13 LYS NZ :NH3+ 146:sc= -0.452 (180deg=-1.32!) USER MOD Single : A 14 CYS SG : rot -4:sc= -2.71! USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -71:sc= -0.507 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -149:sc= -0.807 (180deg=-2.39!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.451 USER MOD Single : A 47 CYS SG : rot 97:sc= -2.23! USER MOD Single : A 48 THR OG1 : rot 180:sc=-0.00803 USER MOD Single : A 64 ASN :FLIP amide:sc= -0.969 F(o=-2!,f=-0.97) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0728 USER MOD Single : A 69 TYR OH : rot 75:sc= 0.19 USER MOD Single : A 73 TYR OH : rot -148:sc= 0.729 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 40:sc= 1.26 USER MOD Single : A 84 TYR OH : rot 30:sc= 0 USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot -130:sc= -1.23 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 160:sc= -0.473 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc= 0.403 K(o=0.4,f=-4.7!) USER MOD Single : A 117 CYS SG : rot -50:sc= -1.04 USER MOD Single : A 119 SER OG : rot 42:sc= 1.1 USER MOD Single : A 122 SER OG : rot 180:sc= -0.0327 USER MOD Single : A 123 SER OG : rot 180:sc= -0.0496 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.839 -21.308 -0.596 1.00 0.00 N ATOM 2 CA GLY A 1 15.744 -21.026 -1.506 1.00 0.00 C ATOM 3 C GLY A 1 15.181 -22.281 -2.143 1.00 0.00 C ATOM 4 O GLY A 1 15.901 -23.019 -2.815 1.00 0.00 O ATOM 0 H1 GLY A 1 17.189 -20.418 -0.187 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.505 -21.932 0.166 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.609 -21.777 -1.114 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.951 -20.509 -0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.090 -20.350 -2.288 1.00 0.00 H new ATOM 8 N SER A 2 13.892 -22.524 -1.931 1.00 0.00 N ATOM 9 CA SER A 2 13.236 -23.702 -2.485 1.00 0.00 C ATOM 10 C SER A 2 11.961 -23.313 -3.228 1.00 0.00 C ATOM 11 O SER A 2 11.342 -22.292 -2.930 1.00 0.00 O ATOM 12 CB SER A 2 12.906 -24.700 -1.373 1.00 0.00 C ATOM 13 OG SER A 2 12.498 -25.946 -1.911 1.00 0.00 O ATOM 0 H SER A 2 13.281 -21.921 -1.380 1.00 0.00 H new ATOM 0 HA SER A 2 13.921 -24.170 -3.192 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.780 -24.843 -0.737 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.115 -24.297 -0.741 1.00 0.00 H new ATOM 0 HG SER A 2 12.294 -26.567 -1.181 1.00 0.00 H new ATOM 19 N SER A 3 11.574 -24.136 -4.198 1.00 0.00 N ATOM 20 CA SER A 3 10.376 -23.878 -4.988 1.00 0.00 C ATOM 21 C SER A 3 9.139 -23.823 -4.095 1.00 0.00 C ATOM 22 O SER A 3 8.311 -22.922 -4.219 1.00 0.00 O ATOM 23 CB SER A 3 10.201 -24.959 -6.056 1.00 0.00 C ATOM 24 OG SER A 3 8.893 -24.930 -6.600 1.00 0.00 O ATOM 0 H SER A 3 12.073 -24.987 -4.455 1.00 0.00 H new ATOM 0 HA SER A 3 10.494 -22.911 -5.477 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.932 -24.812 -6.851 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.396 -25.939 -5.621 1.00 0.00 H new ATOM 0 HG SER A 3 8.806 -25.629 -7.281 1.00 0.00 H new ATOM 30 N GLY A 4 9.021 -24.796 -3.197 1.00 0.00 N ATOM 31 CA GLY A 4 7.884 -24.842 -2.298 1.00 0.00 C ATOM 32 C GLY A 4 6.593 -25.190 -3.012 1.00 0.00 C ATOM 33 O GLY A 4 6.448 -24.930 -4.206 1.00 0.00 O ATOM 0 H GLY A 4 9.693 -25.554 -3.076 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.073 -25.578 -1.516 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.774 -23.875 -1.806 1.00 0.00 H new ATOM 37 N SER A 5 5.653 -25.779 -2.280 1.00 0.00 N ATOM 38 CA SER A 5 4.370 -26.168 -2.853 1.00 0.00 C ATOM 39 C SER A 5 3.600 -24.945 -3.341 1.00 0.00 C ATOM 40 O SER A 5 3.812 -23.832 -2.860 1.00 0.00 O ATOM 41 CB SER A 5 3.538 -26.931 -1.821 1.00 0.00 C ATOM 42 OG SER A 5 4.138 -28.172 -1.497 1.00 0.00 O ATOM 0 H SER A 5 5.756 -25.997 -1.289 1.00 0.00 H new ATOM 0 HA SER A 5 4.563 -26.818 -3.706 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.431 -26.329 -0.919 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.535 -27.100 -2.212 1.00 0.00 H new ATOM 0 HG SER A 5 3.587 -28.639 -0.834 1.00 0.00 H new ATOM 48 N SER A 6 2.706 -25.161 -4.300 1.00 0.00 N ATOM 49 CA SER A 6 1.906 -24.077 -4.857 1.00 0.00 C ATOM 50 C SER A 6 0.672 -24.623 -5.572 1.00 0.00 C ATOM 51 O SER A 6 0.776 -25.228 -6.638 1.00 0.00 O ATOM 52 CB SER A 6 2.744 -23.243 -5.828 1.00 0.00 C ATOM 53 OG SER A 6 1.981 -22.185 -6.381 1.00 0.00 O ATOM 0 H SER A 6 2.517 -26.077 -4.708 1.00 0.00 H new ATOM 0 HA SER A 6 1.577 -23.442 -4.034 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.612 -22.837 -5.308 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.121 -23.880 -6.628 1.00 0.00 H new ATOM 0 HG SER A 6 2.539 -21.666 -6.997 1.00 0.00 H new ATOM 59 N GLY A 7 -0.496 -24.404 -4.974 1.00 0.00 N ATOM 60 CA GLY A 7 -1.731 -24.880 -5.566 1.00 0.00 C ATOM 61 C GLY A 7 -2.383 -23.844 -6.460 1.00 0.00 C ATOM 62 O GLY A 7 -1.702 -23.001 -7.045 1.00 0.00 O ATOM 0 H GLY A 7 -0.608 -23.906 -4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.529 -25.780 -6.146 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.425 -25.161 -4.774 1.00 0.00 H new ATOM 66 N THR A 8 -3.706 -23.907 -6.570 1.00 0.00 N ATOM 67 CA THR A 8 -4.450 -22.969 -7.402 1.00 0.00 C ATOM 68 C THR A 8 -5.750 -22.548 -6.727 1.00 0.00 C ATOM 69 O THR A 8 -6.304 -23.282 -5.910 1.00 0.00 O ATOM 70 CB THR A 8 -4.773 -23.574 -8.781 1.00 0.00 C ATOM 71 OG1 THR A 8 -5.477 -24.811 -8.620 1.00 0.00 O ATOM 72 CG2 THR A 8 -3.500 -23.811 -9.579 1.00 0.00 C ATOM 0 H THR A 8 -4.285 -24.598 -6.093 1.00 0.00 H new ATOM 0 HA THR A 8 -3.814 -22.094 -7.538 1.00 0.00 H new ATOM 0 HB THR A 8 -5.399 -22.867 -9.326 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.680 -25.189 -9.501 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.753 -24.239 -10.549 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.980 -22.864 -9.724 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.853 -24.500 -9.036 1.00 0.00 H new ATOM 80 N GLY A 9 -6.235 -21.360 -7.076 1.00 0.00 N ATOM 81 CA GLY A 9 -7.468 -20.861 -6.496 1.00 0.00 C ATOM 82 C GLY A 9 -8.050 -19.700 -7.277 1.00 0.00 C ATOM 83 O GLY A 9 -7.796 -19.559 -8.474 1.00 0.00 O ATOM 0 H GLY A 9 -5.795 -20.734 -7.751 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -8.199 -21.669 -6.454 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -7.281 -20.546 -5.469 1.00 0.00 H new ATOM 87 N ASP A 10 -8.833 -18.867 -6.600 1.00 0.00 N ATOM 88 CA ASP A 10 -9.452 -17.712 -7.239 1.00 0.00 C ATOM 89 C ASP A 10 -9.114 -16.429 -6.489 1.00 0.00 C ATOM 90 O ASP A 10 -8.779 -16.460 -5.305 1.00 0.00 O ATOM 91 CB ASP A 10 -10.970 -17.893 -7.307 1.00 0.00 C ATOM 92 CG ASP A 10 -11.622 -16.949 -8.298 1.00 0.00 C ATOM 93 OD1 ASP A 10 -11.988 -15.825 -7.894 1.00 0.00 O ATOM 94 OD2 ASP A 10 -11.768 -17.334 -9.477 1.00 0.00 O ATOM 0 H ASP A 10 -9.054 -18.970 -5.610 1.00 0.00 H new ATOM 0 HA ASP A 10 -9.057 -17.633 -8.252 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.198 -18.922 -7.586 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.397 -17.728 -6.318 1.00 0.00 H new ATOM 99 N ALA A 11 -9.203 -15.300 -7.185 1.00 0.00 N ATOM 100 CA ALA A 11 -8.906 -14.006 -6.584 1.00 0.00 C ATOM 101 C ALA A 11 -10.155 -13.134 -6.513 1.00 0.00 C ATOM 102 O ALA A 11 -10.366 -12.411 -5.539 1.00 0.00 O ATOM 103 CB ALA A 11 -7.811 -13.298 -7.367 1.00 0.00 C ATOM 0 H ALA A 11 -9.479 -15.256 -8.166 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.556 -14.179 -5.566 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.600 -12.333 -6.906 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.908 -13.908 -7.362 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.140 -13.145 -8.395 1.00 0.00 H new ATOM 109 N SER A 12 -10.981 -13.207 -7.553 1.00 0.00 N ATOM 110 CA SER A 12 -12.208 -12.420 -7.610 1.00 0.00 C ATOM 111 C SER A 12 -13.012 -12.572 -6.322 1.00 0.00 C ATOM 112 O SER A 12 -13.591 -11.608 -5.819 1.00 0.00 O ATOM 113 CB SER A 12 -13.058 -12.849 -8.808 1.00 0.00 C ATOM 114 OG SER A 12 -12.243 -13.319 -9.868 1.00 0.00 O ATOM 0 H SER A 12 -10.823 -13.802 -8.366 1.00 0.00 H new ATOM 0 HA SER A 12 -11.933 -11.372 -7.724 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.752 -13.632 -8.504 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.658 -12.007 -9.152 1.00 0.00 H new ATOM 0 HG SER A 12 -12.809 -13.589 -10.621 1.00 0.00 H new ATOM 120 N LYS A 13 -13.043 -13.790 -5.792 1.00 0.00 N ATOM 121 CA LYS A 13 -13.774 -14.071 -4.562 1.00 0.00 C ATOM 122 C LYS A 13 -13.122 -13.374 -3.371 1.00 0.00 C ATOM 123 O LYS A 13 -13.806 -12.954 -2.437 1.00 0.00 O ATOM 124 CB LYS A 13 -13.833 -15.580 -4.313 1.00 0.00 C ATOM 125 CG LYS A 13 -14.232 -16.383 -5.539 1.00 0.00 C ATOM 126 CD LYS A 13 -15.582 -15.942 -6.079 1.00 0.00 C ATOM 127 CE LYS A 13 -16.724 -16.462 -5.219 1.00 0.00 C ATOM 128 NZ LYS A 13 -17.076 -15.509 -4.129 1.00 0.00 N ATOM 0 H LYS A 13 -12.570 -14.599 -6.195 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.788 -13.688 -4.675 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.857 -15.921 -3.967 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.543 -15.780 -3.511 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.474 -16.267 -6.314 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -14.269 -17.442 -5.285 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -15.621 -14.853 -6.118 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -15.702 -16.302 -7.101 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -17.599 -16.637 -5.845 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.444 -17.422 -4.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -18.100 -15.549 -3.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -16.562 -15.768 -3.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -16.812 -14.544 -4.413 1.00 0.00 H new ATOM 142 N CYS A 14 -11.801 -13.255 -3.412 1.00 0.00 N ATOM 143 CA CYS A 14 -11.057 -12.609 -2.336 1.00 0.00 C ATOM 144 C CYS A 14 -11.503 -11.160 -2.162 1.00 0.00 C ATOM 145 O CYS A 14 -11.786 -10.464 -3.138 1.00 0.00 O ATOM 146 CB CYS A 14 -9.556 -12.661 -2.622 1.00 0.00 C ATOM 147 SG CYS A 14 -8.520 -12.583 -1.142 1.00 0.00 S ATOM 0 H CYS A 14 -11.222 -13.597 -4.179 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.262 -13.148 -1.411 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.331 -13.581 -3.162 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.293 -11.833 -3.280 1.00 0.00 H new ATOM 0 HG CYS A 14 -9.271 -12.403 -0.096 1.00 0.00 H new ATOM 153 N LEU A 15 -11.564 -10.712 -0.913 1.00 0.00 N ATOM 154 CA LEU A 15 -11.977 -9.346 -0.609 1.00 0.00 C ATOM 155 C LEU A 15 -10.868 -8.589 0.111 1.00 0.00 C ATOM 156 O LEU A 15 -10.073 -9.180 0.843 1.00 0.00 O ATOM 157 CB LEU A 15 -13.245 -9.354 0.247 1.00 0.00 C ATOM 158 CG LEU A 15 -14.449 -10.091 -0.340 1.00 0.00 C ATOM 159 CD1 LEU A 15 -15.651 -9.971 0.582 1.00 0.00 C ATOM 160 CD2 LEU A 15 -14.780 -9.552 -1.725 1.00 0.00 C ATOM 0 H LEU A 15 -11.333 -11.275 -0.094 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.185 -8.838 -1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -13.005 -9.802 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -13.535 -8.321 0.439 1.00 0.00 H new ATOM 0 HG LEU A 15 -14.194 -11.147 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -16.498 -10.502 0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -15.410 -10.405 1.552 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -15.909 -8.920 0.709 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -15.639 -10.088 -2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -15.014 -8.490 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -13.923 -9.692 -2.384 1.00 0.00 H new ATOM 172 N ALA A 16 -10.820 -7.277 -0.098 1.00 0.00 N ATOM 173 CA ALA A 16 -9.810 -6.438 0.536 1.00 0.00 C ATOM 174 C ALA A 16 -10.451 -5.252 1.249 1.00 0.00 C ATOM 175 O ALA A 16 -11.059 -4.388 0.616 1.00 0.00 O ATOM 176 CB ALA A 16 -8.804 -5.955 -0.497 1.00 0.00 C ATOM 0 H ALA A 16 -11.469 -6.772 -0.702 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.289 -7.038 1.282 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.055 -5.330 -0.011 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.316 -6.813 -0.958 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.319 -5.375 -1.263 1.00 0.00 H new ATOM 182 N THR A 17 -10.310 -5.216 2.570 1.00 0.00 N ATOM 183 CA THR A 17 -10.876 -4.136 3.370 1.00 0.00 C ATOM 184 C THR A 17 -9.790 -3.399 4.144 1.00 0.00 C ATOM 185 O THR A 17 -8.837 -4.007 4.630 1.00 0.00 O ATOM 186 CB THR A 17 -11.929 -4.665 4.361 1.00 0.00 C ATOM 187 OG1 THR A 17 -11.327 -5.600 5.263 1.00 0.00 O ATOM 188 CG2 THR A 17 -13.079 -5.334 3.624 1.00 0.00 C ATOM 0 H THR A 17 -9.809 -5.922 3.109 1.00 0.00 H new ATOM 0 HA THR A 17 -11.356 -3.445 2.676 1.00 0.00 H new ATOM 0 HB THR A 17 -12.322 -3.819 4.924 1.00 0.00 H new ATOM 0 HG1 THR A 17 -12.003 -5.930 5.891 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.810 -5.700 4.345 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.554 -4.612 2.960 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.698 -6.170 3.038 1.00 0.00 H new ATOM 196 N GLY A 18 -9.940 -2.082 4.258 1.00 0.00 N ATOM 197 CA GLY A 18 -8.965 -1.283 4.975 1.00 0.00 C ATOM 198 C GLY A 18 -8.967 0.167 4.536 1.00 0.00 C ATOM 199 O GLY A 18 -9.301 0.493 3.396 1.00 0.00 O ATOM 0 H GLY A 18 -10.720 -1.555 3.866 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.172 -1.336 6.044 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.971 -1.704 4.822 1.00 0.00 H new ATOM 203 N PRO A 19 -8.591 1.069 5.455 1.00 0.00 N ATOM 204 CA PRO A 19 -8.544 2.508 5.180 1.00 0.00 C ATOM 205 C PRO A 19 -7.423 2.878 4.216 1.00 0.00 C ATOM 206 O PRO A 19 -7.405 3.976 3.659 1.00 0.00 O ATOM 207 CB PRO A 19 -8.289 3.124 6.558 1.00 0.00 C ATOM 208 CG PRO A 19 -7.608 2.050 7.334 1.00 0.00 C ATOM 209 CD PRO A 19 -8.181 0.753 6.834 1.00 0.00 C ATOM 0 HA PRO A 19 -9.458 2.861 4.702 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.665 4.015 6.484 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -9.221 3.426 7.035 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.529 2.084 7.184 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.785 2.169 8.403 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.443 -0.049 6.860 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -9.027 0.427 7.440 1.00 0.00 H new ATOM 217 N GLY A 20 -6.488 1.953 4.020 1.00 0.00 N ATOM 218 CA GLY A 20 -5.376 2.201 3.121 1.00 0.00 C ATOM 219 C GLY A 20 -5.789 2.164 1.663 1.00 0.00 C ATOM 220 O GLY A 20 -5.330 2.978 0.862 1.00 0.00 O ATOM 0 H GLY A 20 -6.481 1.037 4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.940 3.174 3.347 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.600 1.456 3.294 1.00 0.00 H new ATOM 224 N ILE A 21 -6.655 1.217 1.320 1.00 0.00 N ATOM 225 CA ILE A 21 -7.128 1.078 -0.051 1.00 0.00 C ATOM 226 C ILE A 21 -8.305 2.009 -0.324 1.00 0.00 C ATOM 227 O ILE A 21 -8.944 1.928 -1.373 1.00 0.00 O ATOM 228 CB ILE A 21 -7.554 -0.371 -0.356 1.00 0.00 C ATOM 229 CG1 ILE A 21 -8.774 -0.754 0.485 1.00 0.00 C ATOM 230 CG2 ILE A 21 -6.401 -1.328 -0.093 1.00 0.00 C ATOM 231 CD1 ILE A 21 -9.484 -1.993 -0.013 1.00 0.00 C ATOM 0 H ILE A 21 -7.043 0.535 1.972 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.295 1.348 -0.700 1.00 0.00 H new ATOM 0 HB ILE A 21 -7.826 -0.441 -1.409 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.459 -0.915 1.516 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.476 0.079 0.493 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.717 -2.348 -0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.557 -1.064 -0.730 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.102 -1.258 0.953 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.338 -2.206 0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -9.830 -1.829 -1.034 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.796 -2.839 0.006 1.00 0.00 H new ATOM 243 N ALA A 22 -8.584 2.895 0.627 1.00 0.00 N ATOM 244 CA ALA A 22 -9.681 3.845 0.487 1.00 0.00 C ATOM 245 C ALA A 22 -9.486 4.732 -0.737 1.00 0.00 C ATOM 246 O ALA A 22 -8.388 5.230 -0.987 1.00 0.00 O ATOM 247 CB ALA A 22 -9.805 4.694 1.743 1.00 0.00 C ATOM 0 H ALA A 22 -8.066 2.975 1.502 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.604 3.281 0.350 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.628 5.399 1.626 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.999 4.049 2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.877 5.243 1.904 1.00 0.00 H new ATOM 253 N SER A 23 -10.558 4.928 -1.498 1.00 0.00 N ATOM 254 CA SER A 23 -10.503 5.753 -2.699 1.00 0.00 C ATOM 255 C SER A 23 -9.642 6.991 -2.468 1.00 0.00 C ATOM 256 O SER A 23 -8.959 7.466 -3.377 1.00 0.00 O ATOM 257 CB SER A 23 -11.913 6.170 -3.122 1.00 0.00 C ATOM 258 OG SER A 23 -11.899 6.808 -4.386 1.00 0.00 O ATOM 0 H SER A 23 -11.475 4.527 -1.304 1.00 0.00 H new ATOM 0 HA SER A 23 -10.052 5.162 -3.496 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.558 5.293 -3.161 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.335 6.843 -2.376 1.00 0.00 H new ATOM 0 HG SER A 23 -12.812 7.063 -4.634 1.00 0.00 H new ATOM 264 N THR A 24 -9.681 7.512 -1.246 1.00 0.00 N ATOM 265 CA THR A 24 -8.906 8.695 -0.895 1.00 0.00 C ATOM 266 C THR A 24 -8.310 8.568 0.502 1.00 0.00 C ATOM 267 O THR A 24 -8.914 7.972 1.395 1.00 0.00 O ATOM 268 CB THR A 24 -9.768 9.971 -0.958 1.00 0.00 C ATOM 269 OG1 THR A 24 -10.675 10.004 0.151 1.00 0.00 O ATOM 270 CG2 THR A 24 -10.550 10.031 -2.260 1.00 0.00 C ATOM 0 H THR A 24 -10.241 7.133 -0.483 1.00 0.00 H new ATOM 0 HA THR A 24 -8.101 8.772 -1.625 1.00 0.00 H new ATOM 0 HB THR A 24 -9.105 10.835 -0.911 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.218 10.818 0.105 1.00 0.00 H new ATOM 0 HG21 THR A 24 -11.151 10.940 -2.282 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.857 10.034 -3.101 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.204 9.162 -2.332 1.00 0.00 H new ATOM 278 N VAL A 25 -7.119 9.131 0.687 1.00 0.00 N ATOM 279 CA VAL A 25 -6.442 9.082 1.977 1.00 0.00 C ATOM 280 C VAL A 25 -5.574 10.317 2.190 1.00 0.00 C ATOM 281 O VAL A 25 -5.340 11.093 1.262 1.00 0.00 O ATOM 282 CB VAL A 25 -5.563 7.823 2.100 1.00 0.00 C ATOM 283 CG1 VAL A 25 -6.405 6.566 1.946 1.00 0.00 C ATOM 284 CG2 VAL A 25 -4.442 7.853 1.074 1.00 0.00 C ATOM 0 H VAL A 25 -6.604 9.626 -0.041 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.218 9.052 2.742 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.114 7.811 3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.767 5.687 2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.168 6.541 2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.885 6.567 0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.831 6.956 1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.868 7.890 0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.822 8.734 1.238 1.00 0.00 H new ATOM 294 N LYS A 26 -5.099 10.495 3.418 1.00 0.00 N ATOM 295 CA LYS A 26 -4.256 11.636 3.754 1.00 0.00 C ATOM 296 C LYS A 26 -2.784 11.233 3.784 1.00 0.00 C ATOM 297 O LYS A 26 -2.436 10.142 4.235 1.00 0.00 O ATOM 298 CB LYS A 26 -4.663 12.216 5.109 1.00 0.00 C ATOM 299 CG LYS A 26 -5.731 13.293 5.014 1.00 0.00 C ATOM 300 CD LYS A 26 -7.129 12.700 5.080 1.00 0.00 C ATOM 301 CE LYS A 26 -7.626 12.289 3.703 1.00 0.00 C ATOM 302 NZ LYS A 26 -9.110 12.355 3.608 1.00 0.00 N ATOM 0 H LYS A 26 -5.284 9.863 4.197 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.393 12.396 2.985 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.028 11.410 5.745 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.781 12.632 5.596 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.600 14.009 5.825 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.612 13.843 4.081 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.127 11.833 5.741 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.814 13.429 5.513 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.184 12.940 2.948 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.293 11.275 3.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.410 12.068 2.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.532 11.715 4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.427 13.328 3.792 1.00 0.00 H new ATOM 316 N THR A 27 -1.922 12.123 3.301 1.00 0.00 N ATOM 317 CA THR A 27 -0.489 11.862 3.274 1.00 0.00 C ATOM 318 C THR A 27 0.150 12.155 4.626 1.00 0.00 C ATOM 319 O THR A 27 -0.278 13.058 5.343 1.00 0.00 O ATOM 320 CB THR A 27 0.215 12.704 2.192 1.00 0.00 C ATOM 321 OG1 THR A 27 -0.177 14.077 2.308 1.00 0.00 O ATOM 322 CG2 THR A 27 -0.124 12.191 0.801 1.00 0.00 C ATOM 0 H THR A 27 -2.192 13.031 2.923 1.00 0.00 H new ATOM 0 HA THR A 27 -0.365 10.805 3.039 1.00 0.00 H new ATOM 0 HB THR A 27 1.292 12.620 2.341 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.107 14.177 2.017 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.384 12.801 0.054 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.201 11.155 0.706 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.201 12.249 0.644 1.00 0.00 H new ATOM 330 N GLY A 28 1.180 11.386 4.968 1.00 0.00 N ATOM 331 CA GLY A 28 1.862 11.580 6.234 1.00 0.00 C ATOM 332 C GLY A 28 1.568 10.473 7.227 1.00 0.00 C ATOM 333 O GLY A 28 2.421 10.115 8.038 1.00 0.00 O ATOM 0 H GLY A 28 1.554 10.633 4.391 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.937 11.632 6.060 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.562 12.537 6.662 1.00 0.00 H new ATOM 337 N GLU A 29 0.355 9.932 7.166 1.00 0.00 N ATOM 338 CA GLU A 29 -0.050 8.862 8.069 1.00 0.00 C ATOM 339 C GLU A 29 0.181 7.495 7.431 1.00 0.00 C ATOM 340 O GLU A 29 0.358 7.388 6.218 1.00 0.00 O ATOM 341 CB GLU A 29 -1.524 9.016 8.450 1.00 0.00 C ATOM 342 CG GLU A 29 -2.429 9.327 7.270 1.00 0.00 C ATOM 343 CD GLU A 29 -2.542 10.815 6.999 1.00 0.00 C ATOM 344 OE1 GLU A 29 -1.704 11.345 6.241 1.00 0.00 O ATOM 345 OE2 GLU A 29 -3.469 11.449 7.546 1.00 0.00 O ATOM 0 H GLU A 29 -0.364 10.217 6.501 1.00 0.00 H new ATOM 0 HA GLU A 29 0.560 8.932 8.970 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.865 8.097 8.926 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.618 9.812 9.189 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.045 8.827 6.381 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.422 8.920 7.461 1.00 0.00 H new ATOM 352 N GLU A 30 0.178 6.454 8.257 1.00 0.00 N ATOM 353 CA GLU A 30 0.389 5.095 7.774 1.00 0.00 C ATOM 354 C GLU A 30 -0.905 4.288 7.835 1.00 0.00 C ATOM 355 O GLU A 30 -1.469 4.078 8.909 1.00 0.00 O ATOM 356 CB GLU A 30 1.476 4.399 8.597 1.00 0.00 C ATOM 357 CG GLU A 30 1.834 3.014 8.086 1.00 0.00 C ATOM 358 CD GLU A 30 2.980 2.387 8.855 1.00 0.00 C ATOM 359 OE1 GLU A 30 3.032 2.564 10.090 1.00 0.00 O ATOM 360 OE2 GLU A 30 3.826 1.720 8.223 1.00 0.00 O ATOM 0 H GLU A 30 0.032 6.526 9.264 1.00 0.00 H new ATOM 0 HA GLU A 30 0.712 5.153 6.735 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.372 5.019 8.598 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.142 4.320 9.632 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.959 2.368 8.155 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.101 3.078 7.031 1.00 0.00 H new ATOM 367 N VAL A 31 -1.372 3.840 6.674 1.00 0.00 N ATOM 368 CA VAL A 31 -2.599 3.057 6.594 1.00 0.00 C ATOM 369 C VAL A 31 -2.315 1.571 6.782 1.00 0.00 C ATOM 370 O VAL A 31 -1.161 1.145 6.798 1.00 0.00 O ATOM 371 CB VAL A 31 -3.312 3.266 5.245 1.00 0.00 C ATOM 372 CG1 VAL A 31 -3.699 4.725 5.067 1.00 0.00 C ATOM 373 CG2 VAL A 31 -2.429 2.796 4.098 1.00 0.00 C ATOM 0 H VAL A 31 -0.919 4.006 5.775 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.249 3.404 7.397 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.224 2.670 5.239 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.202 4.854 4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.370 5.024 5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.803 5.345 5.093 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.948 2.951 3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.499 3.364 4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.207 1.736 4.221 1.00 0.00 H new ATOM 383 N GLY A 32 -3.378 0.784 6.923 1.00 0.00 N ATOM 384 CA GLY A 32 -3.223 -0.647 7.107 1.00 0.00 C ATOM 385 C GLY A 32 -4.463 -1.421 6.705 1.00 0.00 C ATOM 386 O GLY A 32 -5.443 -1.467 7.449 1.00 0.00 O ATOM 0 H GLY A 32 -4.344 1.112 6.913 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.374 -0.996 6.519 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.993 -0.853 8.152 1.00 0.00 H new ATOM 390 N PHE A 33 -4.422 -2.031 5.526 1.00 0.00 N ATOM 391 CA PHE A 33 -5.552 -2.805 5.025 1.00 0.00 C ATOM 392 C PHE A 33 -5.249 -4.300 5.072 1.00 0.00 C ATOM 393 O PHE A 33 -4.093 -4.714 4.991 1.00 0.00 O ATOM 394 CB PHE A 33 -5.891 -2.386 3.594 1.00 0.00 C ATOM 395 CG PHE A 33 -4.786 -2.657 2.612 1.00 0.00 C ATOM 396 CD1 PHE A 33 -3.743 -1.759 2.458 1.00 0.00 C ATOM 397 CD2 PHE A 33 -4.792 -3.810 1.844 1.00 0.00 C ATOM 398 CE1 PHE A 33 -2.725 -2.005 1.556 1.00 0.00 C ATOM 399 CE2 PHE A 33 -3.777 -4.063 0.941 1.00 0.00 C ATOM 400 CZ PHE A 33 -2.742 -3.158 0.796 1.00 0.00 C ATOM 0 H PHE A 33 -3.618 -2.005 4.899 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.410 -2.605 5.666 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.789 -2.913 3.273 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.125 -1.321 3.581 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.725 -0.856 3.050 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.599 -4.519 1.952 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -1.917 -1.297 1.446 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.792 -4.966 0.349 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.948 -3.352 0.090 1.00 0.00 H new ATOM 410 N VAL A 34 -6.299 -5.105 5.202 1.00 0.00 N ATOM 411 CA VAL A 34 -6.148 -6.555 5.259 1.00 0.00 C ATOM 412 C VAL A 34 -7.051 -7.242 4.241 1.00 0.00 C ATOM 413 O VAL A 34 -8.196 -6.839 4.039 1.00 0.00 O ATOM 414 CB VAL A 34 -6.470 -7.098 6.664 1.00 0.00 C ATOM 415 CG1 VAL A 34 -7.899 -6.752 7.056 1.00 0.00 C ATOM 416 CG2 VAL A 34 -6.244 -8.601 6.718 1.00 0.00 C ATOM 0 H VAL A 34 -7.263 -4.778 5.270 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.107 -6.774 5.023 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.797 -6.626 7.380 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.108 -7.144 8.051 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.024 -5.669 7.059 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.590 -7.195 6.339 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.476 -8.968 7.718 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.891 -9.093 5.992 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.202 -8.821 6.484 1.00 0.00 H new ATOM 426 N VAL A 35 -6.527 -8.283 3.601 1.00 0.00 N ATOM 427 CA VAL A 35 -7.286 -9.028 2.603 1.00 0.00 C ATOM 428 C VAL A 35 -7.993 -10.223 3.232 1.00 0.00 C ATOM 429 O VAL A 35 -7.350 -11.125 3.770 1.00 0.00 O ATOM 430 CB VAL A 35 -6.378 -9.524 1.462 1.00 0.00 C ATOM 431 CG1 VAL A 35 -7.174 -10.360 0.472 1.00 0.00 C ATOM 432 CG2 VAL A 35 -5.712 -8.348 0.764 1.00 0.00 C ATOM 0 H VAL A 35 -5.580 -8.629 3.756 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.029 -8.344 2.193 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.598 -10.154 1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.516 -10.702 -0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.601 -11.222 0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.976 -9.756 0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.074 -8.716 -0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.476 -7.691 0.349 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.108 -7.793 1.482 1.00 0.00 H new ATOM 442 N ASP A 36 -9.319 -10.225 3.158 1.00 0.00 N ATOM 443 CA ASP A 36 -10.115 -11.312 3.718 1.00 0.00 C ATOM 444 C ASP A 36 -10.372 -12.392 2.672 1.00 0.00 C ATOM 445 O ASP A 36 -10.786 -12.098 1.551 1.00 0.00 O ATOM 446 CB ASP A 36 -11.443 -10.777 4.254 1.00 0.00 C ATOM 447 CG ASP A 36 -11.966 -11.588 5.423 1.00 0.00 C ATOM 448 OD1 ASP A 36 -11.138 -12.130 6.185 1.00 0.00 O ATOM 449 OD2 ASP A 36 -13.202 -11.679 5.577 1.00 0.00 O ATOM 0 H ASP A 36 -9.866 -9.486 2.716 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.553 -11.755 4.540 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.315 -9.740 4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -12.182 -10.781 3.453 1.00 0.00 H new ATOM 454 N ALA A 37 -10.122 -13.643 3.047 1.00 0.00 N ATOM 455 CA ALA A 37 -10.328 -14.767 2.142 1.00 0.00 C ATOM 456 C ALA A 37 -11.157 -15.861 2.804 1.00 0.00 C ATOM 457 O ALA A 37 -10.825 -16.335 3.892 1.00 0.00 O ATOM 458 CB ALA A 37 -8.989 -15.324 1.679 1.00 0.00 C ATOM 0 H ALA A 37 -9.777 -13.903 3.971 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.879 -14.406 1.274 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.158 -16.163 1.004 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.432 -14.545 1.158 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.418 -15.663 2.543 1.00 0.00 H new ATOM 464 N LYS A 38 -12.239 -16.259 2.144 1.00 0.00 N ATOM 465 CA LYS A 38 -13.117 -17.298 2.668 1.00 0.00 C ATOM 466 C LYS A 38 -13.251 -18.450 1.676 1.00 0.00 C ATOM 467 O LYS A 38 -13.046 -19.612 2.026 1.00 0.00 O ATOM 468 CB LYS A 38 -14.498 -16.718 2.981 1.00 0.00 C ATOM 469 CG LYS A 38 -15.100 -15.927 1.833 1.00 0.00 C ATOM 470 CD LYS A 38 -16.307 -15.122 2.284 1.00 0.00 C ATOM 471 CE LYS A 38 -16.611 -13.986 1.319 1.00 0.00 C ATOM 472 NZ LYS A 38 -17.859 -13.262 1.690 1.00 0.00 N ATOM 0 H LYS A 38 -12.529 -15.877 1.244 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.674 -17.683 3.587 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.174 -17.532 3.244 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -14.422 -16.072 3.856 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.348 -15.256 1.419 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.394 -16.609 1.035 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -17.175 -15.777 2.361 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.124 -14.717 3.279 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -15.775 -13.286 1.307 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -16.709 -14.384 0.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.031 -12.496 1.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.661 -13.924 1.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.757 -12.860 2.644 1.00 0.00 H new ATOM 486 N THR A 39 -13.594 -18.117 0.436 1.00 0.00 N ATOM 487 CA THR A 39 -13.755 -19.123 -0.607 1.00 0.00 C ATOM 488 C THR A 39 -12.646 -19.019 -1.648 1.00 0.00 C ATOM 489 O THR A 39 -12.351 -19.983 -2.354 1.00 0.00 O ATOM 490 CB THR A 39 -15.118 -18.989 -1.312 1.00 0.00 C ATOM 491 OG1 THR A 39 -15.327 -20.100 -2.191 1.00 0.00 O ATOM 492 CG2 THR A 39 -15.194 -17.690 -2.101 1.00 0.00 C ATOM 0 H THR A 39 -13.766 -17.159 0.129 1.00 0.00 H new ATOM 0 HA THR A 39 -13.701 -20.096 -0.118 1.00 0.00 H new ATOM 0 HB THR A 39 -15.897 -18.979 -0.549 1.00 0.00 H new ATOM 0 HG1 THR A 39 -16.196 -20.008 -2.634 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.165 -17.618 -2.590 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.065 -16.845 -1.424 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.407 -17.675 -2.854 1.00 0.00 H new ATOM 500 N ALA A 40 -12.033 -17.843 -1.736 1.00 0.00 N ATOM 501 CA ALA A 40 -10.953 -17.614 -2.689 1.00 0.00 C ATOM 502 C ALA A 40 -10.110 -18.871 -2.876 1.00 0.00 C ATOM 503 O ALA A 40 -9.667 -19.174 -3.983 1.00 0.00 O ATOM 504 CB ALA A 40 -10.082 -16.454 -2.230 1.00 0.00 C ATOM 0 H ALA A 40 -12.265 -17.034 -1.159 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.398 -17.361 -3.651 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.280 -16.294 -2.950 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.688 -15.551 -2.155 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.653 -16.685 -1.255 1.00 0.00 H new ATOM 510 N GLY A 41 -9.891 -19.599 -1.785 1.00 0.00 N ATOM 511 CA GLY A 41 -9.100 -20.813 -1.850 1.00 0.00 C ATOM 512 C GLY A 41 -7.673 -20.603 -1.386 1.00 0.00 C ATOM 513 O GLY A 41 -7.430 -19.905 -0.401 1.00 0.00 O ATOM 0 H GLY A 41 -10.248 -19.369 -0.857 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.569 -21.581 -1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.094 -21.184 -2.875 1.00 0.00 H new ATOM 517 N LYS A 42 -6.726 -21.207 -2.096 1.00 0.00 N ATOM 518 CA LYS A 42 -5.315 -21.083 -1.751 1.00 0.00 C ATOM 519 C LYS A 42 -4.608 -20.116 -2.695 1.00 0.00 C ATOM 520 O LYS A 42 -4.945 -20.026 -3.875 1.00 0.00 O ATOM 521 CB LYS A 42 -4.634 -22.452 -1.804 1.00 0.00 C ATOM 522 CG LYS A 42 -3.131 -22.393 -1.589 1.00 0.00 C ATOM 523 CD LYS A 42 -2.785 -22.190 -0.123 1.00 0.00 C ATOM 524 CE LYS A 42 -2.750 -23.512 0.629 1.00 0.00 C ATOM 525 NZ LYS A 42 -4.116 -23.977 0.997 1.00 0.00 N ATOM 0 H LYS A 42 -6.910 -21.787 -2.914 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.248 -20.689 -0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.076 -23.098 -1.045 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.836 -22.912 -2.771 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.675 -23.316 -1.947 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.710 -21.579 -2.179 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.816 -21.698 -0.041 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.518 -21.528 0.337 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.263 -24.268 0.013 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.149 -23.401 1.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.071 -24.517 1.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.740 -23.155 1.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.491 -24.584 0.241 1.00 0.00 H new ATOM 539 N GLY A 43 -3.625 -19.393 -2.167 1.00 0.00 N ATOM 540 CA GLY A 43 -2.885 -18.443 -2.977 1.00 0.00 C ATOM 541 C GLY A 43 -2.189 -17.387 -2.141 1.00 0.00 C ATOM 542 O GLY A 43 -2.668 -17.018 -1.068 1.00 0.00 O ATOM 0 H GLY A 43 -3.328 -19.448 -1.193 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.144 -18.977 -3.572 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.566 -17.958 -3.676 1.00 0.00 H new ATOM 546 N LYS A 44 -1.055 -16.900 -2.631 1.00 0.00 N ATOM 547 CA LYS A 44 -0.290 -15.880 -1.923 1.00 0.00 C ATOM 548 C LYS A 44 -0.680 -14.482 -2.394 1.00 0.00 C ATOM 549 O LYS A 44 -0.729 -14.211 -3.594 1.00 0.00 O ATOM 550 CB LYS A 44 1.210 -16.100 -2.133 1.00 0.00 C ATOM 551 CG LYS A 44 1.773 -17.255 -1.326 1.00 0.00 C ATOM 552 CD LYS A 44 3.273 -17.397 -1.527 1.00 0.00 C ATOM 553 CE LYS A 44 3.875 -18.392 -0.546 1.00 0.00 C ATOM 554 NZ LYS A 44 5.240 -18.823 -0.961 1.00 0.00 N ATOM 0 H LYS A 44 -0.644 -17.195 -3.517 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.518 -15.963 -0.860 1.00 0.00 H new ATOM 0 HB2 LYS A 44 1.397 -16.282 -3.191 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.743 -15.187 -1.867 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.560 -17.099 -0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.277 -18.180 -1.618 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.475 -17.723 -2.547 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.752 -16.426 -1.402 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.922 -17.942 0.445 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.226 -19.264 -0.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.616 -19.500 -0.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.192 -19.276 -1.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.866 -17.994 -1.010 1.00 0.00 H new ATOM 568 N VAL A 45 -0.956 -13.596 -1.441 1.00 0.00 N ATOM 569 CA VAL A 45 -1.339 -12.226 -1.759 1.00 0.00 C ATOM 570 C VAL A 45 -0.131 -11.298 -1.730 1.00 0.00 C ATOM 571 O VAL A 45 0.477 -11.083 -0.680 1.00 0.00 O ATOM 572 CB VAL A 45 -2.403 -11.699 -0.777 1.00 0.00 C ATOM 573 CG1 VAL A 45 -2.816 -10.283 -1.147 1.00 0.00 C ATOM 574 CG2 VAL A 45 -3.609 -12.625 -0.751 1.00 0.00 C ATOM 0 H VAL A 45 -0.921 -13.803 -0.443 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.759 -12.239 -2.765 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.970 -11.676 0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.568 -9.927 -0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.945 -9.628 -1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.231 -10.277 -2.155 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.350 -12.237 -0.052 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.045 -12.682 -1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.297 -13.620 -0.434 1.00 0.00 H new ATOM 584 N THR A 46 0.213 -10.746 -2.890 1.00 0.00 N ATOM 585 CA THR A 46 1.349 -9.840 -2.998 1.00 0.00 C ATOM 586 C THR A 46 0.887 -8.395 -3.161 1.00 0.00 C ATOM 587 O THR A 46 -0.054 -8.115 -3.905 1.00 0.00 O ATOM 588 CB THR A 46 2.255 -10.214 -4.186 1.00 0.00 C ATOM 589 OG1 THR A 46 1.477 -10.314 -5.384 1.00 0.00 O ATOM 590 CG2 THR A 46 2.968 -11.533 -3.928 1.00 0.00 C ATOM 0 H THR A 46 -0.280 -10.911 -3.768 1.00 0.00 H new ATOM 0 HA THR A 46 1.918 -9.935 -2.073 1.00 0.00 H new ATOM 0 HB THR A 46 3.004 -9.430 -4.304 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.061 -10.550 -6.135 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.602 -11.777 -4.780 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.583 -11.445 -3.032 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.231 -12.323 -3.786 1.00 0.00 H new ATOM 598 N CYS A 47 1.554 -7.483 -2.464 1.00 0.00 N ATOM 599 CA CYS A 47 1.212 -6.067 -2.533 1.00 0.00 C ATOM 600 C CYS A 47 2.410 -5.239 -2.986 1.00 0.00 C ATOM 601 O CYS A 47 3.557 -5.561 -2.672 1.00 0.00 O ATOM 602 CB CYS A 47 0.722 -5.573 -1.171 1.00 0.00 C ATOM 603 SG CYS A 47 0.662 -3.774 -1.015 1.00 0.00 S ATOM 0 H CYS A 47 2.335 -7.698 -1.844 1.00 0.00 H new ATOM 0 HA CYS A 47 0.413 -5.947 -3.265 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.274 -5.976 -0.987 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.375 -5.972 -0.395 1.00 0.00 H new ATOM 0 HG CYS A 47 -0.547 -3.358 -1.251 1.00 0.00 H new ATOM 609 N THR A 48 2.137 -4.171 -3.729 1.00 0.00 N ATOM 610 CA THR A 48 3.192 -3.299 -4.229 1.00 0.00 C ATOM 611 C THR A 48 2.713 -1.855 -4.322 1.00 0.00 C ATOM 612 O THR A 48 1.807 -1.538 -5.094 1.00 0.00 O ATOM 613 CB THR A 48 3.687 -3.753 -5.615 1.00 0.00 C ATOM 614 OG1 THR A 48 4.070 -5.132 -5.571 1.00 0.00 O ATOM 615 CG2 THR A 48 4.867 -2.908 -6.072 1.00 0.00 C ATOM 0 H THR A 48 1.194 -3.889 -3.998 1.00 0.00 H new ATOM 0 HA THR A 48 4.016 -3.361 -3.519 1.00 0.00 H new ATOM 0 HB THR A 48 2.872 -3.625 -6.327 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.382 -5.413 -6.456 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.199 -3.247 -7.053 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.564 -1.863 -6.133 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.684 -3.008 -5.358 1.00 0.00 H new ATOM 623 N VAL A 49 3.326 -0.980 -3.530 1.00 0.00 N ATOM 624 CA VAL A 49 2.962 0.432 -3.524 1.00 0.00 C ATOM 625 C VAL A 49 3.701 1.194 -4.619 1.00 0.00 C ATOM 626 O VAL A 49 4.930 1.263 -4.621 1.00 0.00 O ATOM 627 CB VAL A 49 3.269 1.085 -2.163 1.00 0.00 C ATOM 628 CG1 VAL A 49 2.769 2.522 -2.136 1.00 0.00 C ATOM 629 CG2 VAL A 49 2.650 0.275 -1.033 1.00 0.00 C ATOM 0 H VAL A 49 4.077 -1.225 -2.884 1.00 0.00 H new ATOM 0 HA VAL A 49 1.889 0.483 -3.709 1.00 0.00 H new ATOM 0 HB VAL A 49 4.350 1.099 -2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.994 2.968 -1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.262 3.094 -2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.691 2.535 -2.300 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.876 0.750 -0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.569 0.229 -1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.060 -0.735 -1.042 1.00 0.00 H new ATOM 639 N LEU A 50 2.943 1.764 -5.549 1.00 0.00 N ATOM 640 CA LEU A 50 3.525 2.524 -6.650 1.00 0.00 C ATOM 641 C LEU A 50 3.197 4.008 -6.524 1.00 0.00 C ATOM 642 O LEU A 50 2.038 4.410 -6.633 1.00 0.00 O ATOM 643 CB LEU A 50 3.014 1.989 -7.991 1.00 0.00 C ATOM 644 CG LEU A 50 3.971 2.125 -9.176 1.00 0.00 C ATOM 645 CD1 LEU A 50 3.746 0.999 -10.173 1.00 0.00 C ATOM 646 CD2 LEU A 50 3.797 3.479 -9.848 1.00 0.00 C ATOM 0 H LEU A 50 1.924 1.714 -5.563 1.00 0.00 H new ATOM 0 HA LEU A 50 4.608 2.406 -6.606 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.767 0.934 -7.868 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.087 2.507 -8.237 1.00 0.00 H new ATOM 0 HG LEU A 50 4.993 2.055 -8.805 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.435 1.111 -11.010 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.921 0.040 -9.685 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.720 1.037 -10.540 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.486 3.559 -10.689 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.773 3.578 -10.207 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.008 4.271 -9.130 1.00 0.00 H new ATOM 658 N THR A 51 4.225 4.819 -6.294 1.00 0.00 N ATOM 659 CA THR A 51 4.046 6.258 -6.153 1.00 0.00 C ATOM 660 C THR A 51 3.641 6.894 -7.478 1.00 0.00 C ATOM 661 O THR A 51 4.001 6.421 -8.556 1.00 0.00 O ATOM 662 CB THR A 51 5.331 6.936 -5.642 1.00 0.00 C ATOM 663 OG1 THR A 51 6.389 6.761 -6.592 1.00 0.00 O ATOM 664 CG2 THR A 51 5.751 6.359 -4.298 1.00 0.00 C ATOM 0 H THR A 51 5.190 4.503 -6.201 1.00 0.00 H new ATOM 0 HA THR A 51 3.250 6.408 -5.423 1.00 0.00 H new ATOM 0 HB THR A 51 5.128 7.999 -5.516 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.273 5.906 -7.057 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.661 6.854 -3.958 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.957 6.519 -3.569 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.937 5.290 -4.403 1.00 0.00 H new ATOM 672 N PRO A 52 2.875 7.992 -7.397 1.00 0.00 N ATOM 673 CA PRO A 52 2.406 8.718 -8.581 1.00 0.00 C ATOM 674 C PRO A 52 3.538 9.441 -9.305 1.00 0.00 C ATOM 675 O PRO A 52 3.317 10.100 -10.321 1.00 0.00 O ATOM 676 CB PRO A 52 1.408 9.726 -8.007 1.00 0.00 C ATOM 677 CG PRO A 52 1.843 9.929 -6.597 1.00 0.00 C ATOM 678 CD PRO A 52 2.408 8.610 -6.145 1.00 0.00 C ATOM 0 HA PRO A 52 1.976 8.048 -9.325 1.00 0.00 H new ATOM 0 HB2 PRO A 52 1.425 10.662 -8.565 1.00 0.00 H new ATOM 0 HB3 PRO A 52 0.388 9.345 -8.056 1.00 0.00 H new ATOM 0 HG2 PRO A 52 2.592 10.718 -6.529 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.004 10.230 -5.969 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.224 8.745 -5.435 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.653 7.997 -5.652 1.00 0.00 H new ATOM 686 N ASP A 53 4.749 9.311 -8.776 1.00 0.00 N ATOM 687 CA ASP A 53 5.916 9.951 -9.373 1.00 0.00 C ATOM 688 C ASP A 53 6.401 9.170 -10.589 1.00 0.00 C ATOM 689 O ASP A 53 6.933 9.745 -11.538 1.00 0.00 O ATOM 690 CB ASP A 53 7.041 10.068 -8.344 1.00 0.00 C ATOM 691 CG ASP A 53 6.919 11.314 -7.490 1.00 0.00 C ATOM 692 OD1 ASP A 53 6.586 12.382 -8.045 1.00 0.00 O ATOM 693 OD2 ASP A 53 7.156 11.223 -6.267 1.00 0.00 O ATOM 0 H ASP A 53 4.949 8.769 -7.936 1.00 0.00 H new ATOM 0 HA ASP A 53 5.626 10.950 -9.698 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.033 9.188 -7.701 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.001 10.077 -8.860 1.00 0.00 H new ATOM 698 N GLY A 54 6.216 7.854 -10.554 1.00 0.00 N ATOM 699 CA GLY A 54 6.641 7.015 -11.659 1.00 0.00 C ATOM 700 C GLY A 54 7.556 5.890 -11.215 1.00 0.00 C ATOM 701 O GLY A 54 8.256 5.289 -12.031 1.00 0.00 O ATOM 0 H GLY A 54 5.779 7.354 -9.780 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.764 6.593 -12.149 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.156 7.628 -12.399 1.00 0.00 H new ATOM 705 N THR A 55 7.551 5.603 -9.917 1.00 0.00 N ATOM 706 CA THR A 55 8.388 4.546 -9.364 1.00 0.00 C ATOM 707 C THR A 55 7.580 3.620 -8.463 1.00 0.00 C ATOM 708 O THR A 55 6.559 4.019 -7.905 1.00 0.00 O ATOM 709 CB THR A 55 9.568 5.125 -8.560 1.00 0.00 C ATOM 710 OG1 THR A 55 9.085 5.759 -7.370 1.00 0.00 O ATOM 711 CG2 THR A 55 10.350 6.129 -9.393 1.00 0.00 C ATOM 0 H THR A 55 6.976 6.089 -9.229 1.00 0.00 H new ATOM 0 HA THR A 55 8.778 3.978 -10.209 1.00 0.00 H new ATOM 0 HB THR A 55 10.233 4.304 -8.291 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.166 6.069 -7.514 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.178 6.524 -8.804 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.741 5.637 -10.284 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.693 6.947 -9.689 1.00 0.00 H new ATOM 719 N GLU A 56 8.044 2.381 -8.327 1.00 0.00 N ATOM 720 CA GLU A 56 7.362 1.398 -7.494 1.00 0.00 C ATOM 721 C GLU A 56 8.230 0.998 -6.304 1.00 0.00 C ATOM 722 O GLU A 56 9.391 0.623 -6.467 1.00 0.00 O ATOM 723 CB GLU A 56 7.003 0.159 -8.318 1.00 0.00 C ATOM 724 CG GLU A 56 8.207 -0.684 -8.703 1.00 0.00 C ATOM 725 CD GLU A 56 8.009 -1.418 -10.015 1.00 0.00 C ATOM 726 OE1 GLU A 56 7.105 -2.277 -10.085 1.00 0.00 O ATOM 727 OE2 GLU A 56 8.758 -1.132 -10.973 1.00 0.00 O ATOM 0 H GLU A 56 8.888 2.035 -8.783 1.00 0.00 H new ATOM 0 HA GLU A 56 6.446 1.852 -7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.306 -0.456 -7.749 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.485 0.473 -9.224 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.085 -0.043 -8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.407 -1.408 -7.913 1.00 0.00 H new ATOM 734 N ALA A 57 7.659 1.081 -5.108 1.00 0.00 N ATOM 735 CA ALA A 57 8.379 0.727 -3.891 1.00 0.00 C ATOM 736 C ALA A 57 7.896 -0.609 -3.337 1.00 0.00 C ATOM 737 O ALA A 57 7.031 -1.258 -3.924 1.00 0.00 O ATOM 738 CB ALA A 57 8.219 1.821 -2.846 1.00 0.00 C ATOM 0 H ALA A 57 6.699 1.390 -4.955 1.00 0.00 H new ATOM 0 HA ALA A 57 9.436 0.628 -4.139 1.00 0.00 H new ATOM 0 HB1 ALA A 57 8.762 1.543 -1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 57 8.618 2.758 -3.236 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.162 1.947 -2.610 1.00 0.00 H new ATOM 744 N GLU A 58 8.464 -1.015 -2.205 1.00 0.00 N ATOM 745 CA GLU A 58 8.091 -2.276 -1.575 1.00 0.00 C ATOM 746 C GLU A 58 7.086 -2.046 -0.449 1.00 0.00 C ATOM 747 O GLU A 58 7.085 -0.995 0.191 1.00 0.00 O ATOM 748 CB GLU A 58 9.333 -2.984 -1.026 1.00 0.00 C ATOM 749 CG GLU A 58 10.080 -2.178 0.021 1.00 0.00 C ATOM 750 CD GLU A 58 11.360 -2.852 0.474 1.00 0.00 C ATOM 751 OE1 GLU A 58 12.239 -3.090 -0.382 1.00 0.00 O ATOM 752 OE2 GLU A 58 11.484 -3.143 1.681 1.00 0.00 O ATOM 0 H GLU A 58 9.183 -0.490 -1.707 1.00 0.00 H new ATOM 0 HA GLU A 58 7.625 -2.907 -2.332 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.035 -3.939 -0.593 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.009 -3.206 -1.852 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.316 -1.194 -0.384 1.00 0.00 H new ATOM 0 HG3 GLU A 58 9.432 -2.021 0.883 1.00 0.00 H new ATOM 759 N ALA A 59 6.232 -3.037 -0.216 1.00 0.00 N ATOM 760 CA ALA A 59 5.222 -2.944 0.831 1.00 0.00 C ATOM 761 C ALA A 59 5.401 -4.050 1.866 1.00 0.00 C ATOM 762 O ALA A 59 5.798 -5.167 1.532 1.00 0.00 O ATOM 763 CB ALA A 59 3.827 -3.005 0.226 1.00 0.00 C ATOM 0 H ALA A 59 6.219 -3.913 -0.738 1.00 0.00 H new ATOM 0 HA ALA A 59 5.345 -1.986 1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.083 -2.934 1.019 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.696 -2.176 -0.470 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.702 -3.948 -0.306 1.00 0.00 H new ATOM 769 N ASP A 60 5.106 -3.733 3.121 1.00 0.00 N ATOM 770 CA ASP A 60 5.234 -4.701 4.205 1.00 0.00 C ATOM 771 C ASP A 60 3.988 -5.576 4.301 1.00 0.00 C ATOM 772 O ASP A 60 2.917 -5.109 4.689 1.00 0.00 O ATOM 773 CB ASP A 60 5.471 -3.981 5.534 1.00 0.00 C ATOM 774 CG ASP A 60 6.546 -2.917 5.433 1.00 0.00 C ATOM 775 OD1 ASP A 60 7.698 -3.267 5.104 1.00 0.00 O ATOM 776 OD2 ASP A 60 6.235 -1.733 5.684 1.00 0.00 O ATOM 0 H ASP A 60 4.776 -2.813 3.414 1.00 0.00 H new ATOM 0 HA ASP A 60 6.090 -5.341 3.990 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.540 -3.522 5.866 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.756 -4.710 6.293 1.00 0.00 H new ATOM 781 N VAL A 61 4.137 -6.848 3.945 1.00 0.00 N ATOM 782 CA VAL A 61 3.025 -7.789 3.991 1.00 0.00 C ATOM 783 C VAL A 61 3.060 -8.620 5.270 1.00 0.00 C ATOM 784 O VAL A 61 4.131 -8.910 5.804 1.00 0.00 O ATOM 785 CB VAL A 61 3.040 -8.737 2.777 1.00 0.00 C ATOM 786 CG1 VAL A 61 1.973 -9.810 2.923 1.00 0.00 C ATOM 787 CG2 VAL A 61 2.846 -7.952 1.488 1.00 0.00 C ATOM 0 H VAL A 61 5.017 -7.250 3.622 1.00 0.00 H new ATOM 0 HA VAL A 61 2.110 -7.197 3.970 1.00 0.00 H new ATOM 0 HB VAL A 61 4.011 -9.230 2.734 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.999 -10.470 2.056 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.162 -10.390 3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.992 -9.340 2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.859 -8.636 0.640 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.889 -7.431 1.520 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.651 -7.225 1.380 1.00 0.00 H new ATOM 797 N ILE A 62 1.882 -9.000 5.754 1.00 0.00 N ATOM 798 CA ILE A 62 1.779 -9.798 6.969 1.00 0.00 C ATOM 799 C ILE A 62 0.759 -10.921 6.804 1.00 0.00 C ATOM 800 O ILE A 62 -0.443 -10.671 6.727 1.00 0.00 O ATOM 801 CB ILE A 62 1.382 -8.933 8.179 1.00 0.00 C ATOM 802 CG1 ILE A 62 2.456 -7.876 8.452 1.00 0.00 C ATOM 803 CG2 ILE A 62 1.167 -9.806 9.407 1.00 0.00 C ATOM 804 CD1 ILE A 62 2.227 -6.578 7.711 1.00 0.00 C ATOM 0 H ILE A 62 0.987 -8.768 5.324 1.00 0.00 H new ATOM 0 HA ILE A 62 2.764 -10.228 7.149 1.00 0.00 H new ATOM 0 HB ILE A 62 0.446 -8.423 7.951 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.491 -7.673 9.522 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.430 -8.278 8.172 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.887 -9.180 10.254 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.372 -10.524 9.208 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.088 -10.340 9.640 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.025 -5.876 7.952 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.222 -6.768 6.638 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.268 -6.153 8.009 1.00 0.00 H new ATOM 816 N GLU A 63 1.249 -12.155 6.754 1.00 0.00 N ATOM 817 CA GLU A 63 0.379 -13.315 6.599 1.00 0.00 C ATOM 818 C GLU A 63 -0.190 -13.752 7.946 1.00 0.00 C ATOM 819 O GLU A 63 0.447 -13.580 8.986 1.00 0.00 O ATOM 820 CB GLU A 63 1.145 -14.473 5.957 1.00 0.00 C ATOM 821 CG GLU A 63 2.118 -14.034 4.876 1.00 0.00 C ATOM 822 CD GLU A 63 2.980 -15.173 4.369 1.00 0.00 C ATOM 823 OE1 GLU A 63 3.660 -15.818 5.195 1.00 0.00 O ATOM 824 OE2 GLU A 63 2.975 -15.422 3.145 1.00 0.00 O ATOM 0 H GLU A 63 2.242 -12.378 6.818 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.449 -13.032 5.949 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.693 -15.009 6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.431 -15.176 5.528 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.560 -13.607 4.043 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.759 -13.245 5.269 1.00 0.00 H new ATOM 831 N ASN A 64 -1.393 -14.317 7.920 1.00 0.00 N ATOM 832 CA ASN A 64 -2.048 -14.777 9.138 1.00 0.00 C ATOM 833 C ASN A 64 -2.592 -16.192 8.962 1.00 0.00 C ATOM 834 O ASN A 64 -2.909 -16.611 7.850 1.00 0.00 O ATOM 835 CB ASN A 64 -3.184 -13.826 9.522 1.00 0.00 C ATOM 836 CG ASN A 64 -2.695 -12.636 10.324 1.00 0.00 C ATOM 837 OD1 ASN A 64 -2.074 -11.679 9.643 1.00 0.00 O flip ATOM 838 ND2 ASN A 64 -2.875 -12.577 11.540 1.00 0.00 N flip ATOM 0 H ASN A 64 -1.934 -14.467 7.068 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.307 -14.788 9.937 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.680 -13.472 8.618 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.929 -14.370 10.102 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -3.357 -13.336 12.022 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -2.542 -11.769 12.066 1.00 0.00 H new ATOM 845 N GLU A 65 -2.697 -16.921 10.069 1.00 0.00 N ATOM 846 CA GLU A 65 -3.202 -18.289 10.035 1.00 0.00 C ATOM 847 C GLU A 65 -4.639 -18.326 9.521 1.00 0.00 C ATOM 848 O GLU A 65 -5.093 -19.340 8.991 1.00 0.00 O ATOM 849 CB GLU A 65 -3.131 -18.917 11.429 1.00 0.00 C ATOM 850 CG GLU A 65 -3.984 -18.200 12.463 1.00 0.00 C ATOM 851 CD GLU A 65 -3.927 -18.861 13.826 1.00 0.00 C ATOM 852 OE1 GLU A 65 -2.808 -19.158 14.295 1.00 0.00 O ATOM 853 OE2 GLU A 65 -5.001 -19.083 14.424 1.00 0.00 O ATOM 0 H GLU A 65 -2.440 -16.588 10.998 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.575 -18.864 9.353 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.449 -19.958 11.366 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.094 -18.920 11.765 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -3.650 -17.166 12.550 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.018 -18.173 12.120 1.00 0.00 H new ATOM 860 N ASP A 66 -5.347 -17.214 9.682 1.00 0.00 N ATOM 861 CA ASP A 66 -6.731 -17.118 9.234 1.00 0.00 C ATOM 862 C ASP A 66 -6.800 -16.766 7.752 1.00 0.00 C ATOM 863 O ASP A 66 -7.692 -16.040 7.316 1.00 0.00 O ATOM 864 CB ASP A 66 -7.484 -16.069 10.055 1.00 0.00 C ATOM 865 CG ASP A 66 -8.941 -15.955 9.654 1.00 0.00 C ATOM 866 OD1 ASP A 66 -9.527 -16.982 9.252 1.00 0.00 O ATOM 867 OD2 ASP A 66 -9.496 -14.840 9.740 1.00 0.00 O ATOM 0 H ASP A 66 -4.985 -16.366 10.119 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.202 -18.090 9.380 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.420 -16.326 11.112 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.000 -15.100 9.932 1.00 0.00 H new ATOM 872 N GLY A 67 -5.851 -17.288 6.981 1.00 0.00 N ATOM 873 CA GLY A 67 -5.820 -17.017 5.555 1.00 0.00 C ATOM 874 C GLY A 67 -5.973 -15.542 5.242 1.00 0.00 C ATOM 875 O GLY A 67 -6.426 -15.173 4.158 1.00 0.00 O ATOM 0 H GLY A 67 -5.103 -17.894 7.318 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.879 -17.378 5.140 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.619 -17.574 5.065 1.00 0.00 H new ATOM 879 N THR A 68 -5.595 -14.694 6.194 1.00 0.00 N ATOM 880 CA THR A 68 -5.695 -13.251 6.016 1.00 0.00 C ATOM 881 C THR A 68 -4.315 -12.617 5.886 1.00 0.00 C ATOM 882 O THR A 68 -3.343 -13.097 6.470 1.00 0.00 O ATOM 883 CB THR A 68 -6.444 -12.590 7.189 1.00 0.00 C ATOM 884 OG1 THR A 68 -6.195 -13.315 8.399 1.00 0.00 O ATOM 885 CG2 THR A 68 -7.940 -12.544 6.918 1.00 0.00 C ATOM 0 H THR A 68 -5.217 -14.982 7.096 1.00 0.00 H new ATOM 0 HA THR A 68 -6.257 -13.084 5.097 1.00 0.00 H new ATOM 0 HB THR A 68 -6.079 -11.569 7.296 1.00 0.00 H new ATOM 0 HG1 THR A 68 -6.673 -12.888 9.140 1.00 0.00 H new ATOM 0 HG21 THR A 68 -8.448 -12.073 7.760 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.128 -11.968 6.012 1.00 0.00 H new ATOM 0 HG23 THR A 68 -8.318 -13.558 6.788 1.00 0.00 H new ATOM 893 N TYR A 69 -4.237 -11.535 5.120 1.00 0.00 N ATOM 894 CA TYR A 69 -2.974 -10.835 4.913 1.00 0.00 C ATOM 895 C TYR A 69 -3.133 -9.339 5.166 1.00 0.00 C ATOM 896 O TYR A 69 -3.929 -8.668 4.509 1.00 0.00 O ATOM 897 CB TYR A 69 -2.463 -11.072 3.491 1.00 0.00 C ATOM 898 CG TYR A 69 -2.423 -12.531 3.097 1.00 0.00 C ATOM 899 CD1 TYR A 69 -3.590 -13.218 2.782 1.00 0.00 C ATOM 900 CD2 TYR A 69 -1.221 -13.224 3.041 1.00 0.00 C ATOM 901 CE1 TYR A 69 -3.560 -14.551 2.422 1.00 0.00 C ATOM 902 CE2 TYR A 69 -1.180 -14.557 2.681 1.00 0.00 C ATOM 903 CZ TYR A 69 -2.352 -15.216 2.372 1.00 0.00 C ATOM 904 OH TYR A 69 -2.317 -16.544 2.015 1.00 0.00 O ATOM 0 H TYR A 69 -5.033 -11.123 4.632 1.00 0.00 H new ATOM 0 HA TYR A 69 -2.248 -11.230 5.623 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -3.100 -10.533 2.790 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.461 -10.652 3.399 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -4.537 -12.700 2.820 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -0.302 -12.712 3.283 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -4.476 -15.070 2.181 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.236 -15.080 2.642 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.448 -16.626 1.047 1.00 0.00 H new ATOM 914 N ASP A 70 -2.369 -8.823 6.121 1.00 0.00 N ATOM 915 CA ASP A 70 -2.421 -7.405 6.460 1.00 0.00 C ATOM 916 C ASP A 70 -1.205 -6.669 5.909 1.00 0.00 C ATOM 917 O ASP A 70 -0.067 -7.098 6.098 1.00 0.00 O ATOM 918 CB ASP A 70 -2.497 -7.225 7.977 1.00 0.00 C ATOM 919 CG ASP A 70 -1.756 -8.315 8.728 1.00 0.00 C ATOM 920 OD1 ASP A 70 -2.004 -9.505 8.442 1.00 0.00 O ATOM 921 OD2 ASP A 70 -0.929 -7.978 9.601 1.00 0.00 O ATOM 0 H ASP A 70 -1.706 -9.365 6.675 1.00 0.00 H new ATOM 0 HA ASP A 70 -3.316 -6.981 6.005 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -2.080 -6.255 8.246 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.542 -7.220 8.287 1.00 0.00 H new ATOM 926 N ILE A 71 -1.454 -5.557 5.224 1.00 0.00 N ATOM 927 CA ILE A 71 -0.380 -4.760 4.644 1.00 0.00 C ATOM 928 C ILE A 71 -0.487 -3.300 5.069 1.00 0.00 C ATOM 929 O ILE A 71 -1.583 -2.788 5.299 1.00 0.00 O ATOM 930 CB ILE A 71 -0.388 -4.838 3.106 1.00 0.00 C ATOM 931 CG1 ILE A 71 -0.441 -6.297 2.648 1.00 0.00 C ATOM 932 CG2 ILE A 71 0.838 -4.142 2.535 1.00 0.00 C ATOM 933 CD1 ILE A 71 -1.113 -6.485 1.306 1.00 0.00 C ATOM 0 H ILE A 71 -2.390 -5.188 5.057 1.00 0.00 H new ATOM 0 HA ILE A 71 0.557 -5.176 5.015 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.277 -4.328 2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.574 -6.690 2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.972 -6.885 3.397 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.819 -4.205 1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.836 -3.095 2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.739 -4.626 2.911 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.115 -7.543 1.045 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.140 -6.123 1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.570 -5.924 0.545 1.00 0.00 H new ATOM 945 N PHE A 72 0.657 -2.633 5.170 1.00 0.00 N ATOM 946 CA PHE A 72 0.692 -1.230 5.566 1.00 0.00 C ATOM 947 C PHE A 72 1.603 -0.426 4.642 1.00 0.00 C ATOM 948 O PHE A 72 2.578 -0.951 4.103 1.00 0.00 O ATOM 949 CB PHE A 72 1.171 -1.098 7.013 1.00 0.00 C ATOM 950 CG PHE A 72 0.395 -1.944 7.981 1.00 0.00 C ATOM 951 CD1 PHE A 72 0.641 -3.303 8.086 1.00 0.00 C ATOM 952 CD2 PHE A 72 -0.582 -1.380 8.786 1.00 0.00 C ATOM 953 CE1 PHE A 72 -0.071 -4.085 8.975 1.00 0.00 C ATOM 954 CE2 PHE A 72 -1.298 -2.156 9.677 1.00 0.00 C ATOM 955 CZ PHE A 72 -1.043 -3.511 9.772 1.00 0.00 C ATOM 0 H PHE A 72 1.573 -3.041 4.983 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.319 -0.831 5.487 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.224 -1.374 7.065 1.00 0.00 H new ATOM 0 HB3 PHE A 72 1.099 -0.054 7.317 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.399 -3.757 7.465 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.786 -0.322 8.716 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.132 -5.143 9.047 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -2.057 -1.704 10.299 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.602 -4.120 10.467 1.00 0.00 H new ATOM 965 N TYR A 73 1.278 0.849 4.464 1.00 0.00 N ATOM 966 CA TYR A 73 2.064 1.726 3.603 1.00 0.00 C ATOM 967 C TYR A 73 1.779 3.192 3.913 1.00 0.00 C ATOM 968 O TYR A 73 0.735 3.531 4.471 1.00 0.00 O ATOM 969 CB TYR A 73 1.760 1.436 2.132 1.00 0.00 C ATOM 970 CG TYR A 73 0.527 2.144 1.617 1.00 0.00 C ATOM 971 CD1 TYR A 73 0.512 3.524 1.452 1.00 0.00 C ATOM 972 CD2 TYR A 73 -0.622 1.434 1.295 1.00 0.00 C ATOM 973 CE1 TYR A 73 -0.612 4.175 0.983 1.00 0.00 C ATOM 974 CE2 TYR A 73 -1.751 2.077 0.824 1.00 0.00 C ATOM 975 CZ TYR A 73 -1.741 3.448 0.670 1.00 0.00 C ATOM 976 OH TYR A 73 -2.862 4.092 0.202 1.00 0.00 O ATOM 0 H TYR A 73 0.476 1.299 4.904 1.00 0.00 H new ATOM 0 HA TYR A 73 3.119 1.531 3.795 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.617 1.732 1.527 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.633 0.361 2.001 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.395 4.097 1.695 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.634 0.361 1.415 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -0.607 5.248 0.862 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.636 1.509 0.578 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.663 3.610 0.496 1.00 0.00 H new ATOM 986 N THR A 74 2.718 4.060 3.548 1.00 0.00 N ATOM 987 CA THR A 74 2.571 5.490 3.787 1.00 0.00 C ATOM 988 C THR A 74 2.744 6.283 2.496 1.00 0.00 C ATOM 989 O THR A 74 3.501 5.889 1.610 1.00 0.00 O ATOM 990 CB THR A 74 3.590 5.994 4.826 1.00 0.00 C ATOM 991 OG1 THR A 74 3.584 5.136 5.972 1.00 0.00 O ATOM 992 CG2 THR A 74 3.270 7.418 5.251 1.00 0.00 C ATOM 0 H THR A 74 3.588 3.797 3.086 1.00 0.00 H new ATOM 0 HA THR A 74 1.564 5.644 4.173 1.00 0.00 H new ATOM 0 HB THR A 74 4.579 5.983 4.368 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.236 5.461 6.628 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.003 7.752 5.985 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.303 8.074 4.381 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.274 7.451 5.692 1.00 0.00 H new ATOM 1000 N ALA A 75 2.037 7.405 2.398 1.00 0.00 N ATOM 1001 CA ALA A 75 2.115 8.255 1.217 1.00 0.00 C ATOM 1002 C ALA A 75 2.620 9.648 1.576 1.00 0.00 C ATOM 1003 O ALA A 75 1.832 10.547 1.869 1.00 0.00 O ATOM 1004 CB ALA A 75 0.756 8.342 0.539 1.00 0.00 C ATOM 0 H ALA A 75 1.404 7.745 3.122 1.00 0.00 H new ATOM 0 HA ALA A 75 2.827 7.807 0.523 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.829 8.980 -0.342 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.435 7.345 0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.029 8.764 1.233 1.00 0.00 H new ATOM 1010 N ALA A 76 3.937 9.820 1.550 1.00 0.00 N ATOM 1011 CA ALA A 76 4.546 11.105 1.872 1.00 0.00 C ATOM 1012 C ALA A 76 3.960 12.221 1.014 1.00 0.00 C ATOM 1013 O ALA A 76 3.404 13.190 1.531 1.00 0.00 O ATOM 1014 CB ALA A 76 6.055 11.034 1.690 1.00 0.00 C ATOM 0 H ALA A 76 4.603 9.086 1.309 1.00 0.00 H new ATOM 0 HA ALA A 76 4.327 11.332 2.915 1.00 0.00 H new ATOM 0 HB1 ALA A 76 6.497 12.000 1.934 1.00 0.00 H new ATOM 0 HB2 ALA A 76 6.466 10.270 2.350 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.285 10.781 0.655 1.00 0.00 H new ATOM 1020 N LYS A 77 4.088 12.079 -0.301 1.00 0.00 N ATOM 1021 CA LYS A 77 3.571 13.074 -1.233 1.00 0.00 C ATOM 1022 C LYS A 77 2.203 12.662 -1.765 1.00 0.00 C ATOM 1023 O LYS A 77 1.862 11.480 -1.822 1.00 0.00 O ATOM 1024 CB LYS A 77 4.546 13.269 -2.397 1.00 0.00 C ATOM 1025 CG LYS A 77 5.896 13.820 -1.974 1.00 0.00 C ATOM 1026 CD LYS A 77 6.710 12.784 -1.217 1.00 0.00 C ATOM 1027 CE LYS A 77 8.152 13.234 -1.034 1.00 0.00 C ATOM 1028 NZ LYS A 77 9.087 12.078 -0.950 1.00 0.00 N ATOM 0 H LYS A 77 4.546 11.283 -0.746 1.00 0.00 H new ATOM 0 HA LYS A 77 3.463 14.016 -0.696 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.694 12.313 -2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.099 13.946 -3.125 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.449 14.146 -2.855 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.750 14.699 -1.346 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.257 12.605 -0.242 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.689 11.837 -1.757 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.441 13.875 -1.867 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.233 13.833 -0.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.059 12.426 -0.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 8.827 11.480 -0.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.029 11.520 -1.826 1.00 0.00 H new ATOM 1042 N PRO A 78 1.399 13.658 -2.167 1.00 0.00 N ATOM 1043 CA PRO A 78 0.055 13.422 -2.704 1.00 0.00 C ATOM 1044 C PRO A 78 0.088 12.763 -4.078 1.00 0.00 C ATOM 1045 O PRO A 78 1.143 12.348 -4.553 1.00 0.00 O ATOM 1046 CB PRO A 78 -0.541 14.829 -2.800 1.00 0.00 C ATOM 1047 CG PRO A 78 0.638 15.731 -2.927 1.00 0.00 C ATOM 1048 CD PRO A 78 1.738 15.090 -2.128 1.00 0.00 C ATOM 0 HA PRO A 78 -0.521 12.742 -2.076 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.204 14.920 -3.660 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.131 15.070 -1.916 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.930 15.846 -3.971 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.410 16.727 -2.548 1.00 0.00 H new ATOM 0 HD2 PRO A 78 2.717 15.283 -2.566 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.765 15.469 -1.106 1.00 0.00 H new ATOM 1056 N GLY A 79 -1.078 12.669 -4.712 1.00 0.00 N ATOM 1057 CA GLY A 79 -1.160 12.059 -6.026 1.00 0.00 C ATOM 1058 C GLY A 79 -1.989 10.790 -6.026 1.00 0.00 C ATOM 1059 O GLY A 79 -2.680 10.490 -5.052 1.00 0.00 O ATOM 0 H GLY A 79 -1.966 13.004 -4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.593 12.772 -6.728 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.155 11.832 -6.381 1.00 0.00 H new ATOM 1063 N THR A 80 -1.921 10.040 -7.122 1.00 0.00 N ATOM 1064 CA THR A 80 -2.672 8.798 -7.245 1.00 0.00 C ATOM 1065 C THR A 80 -1.760 7.586 -7.096 1.00 0.00 C ATOM 1066 O THR A 80 -1.019 7.236 -8.016 1.00 0.00 O ATOM 1067 CB THR A 80 -3.400 8.714 -8.600 1.00 0.00 C ATOM 1068 OG1 THR A 80 -4.284 9.830 -8.752 1.00 0.00 O ATOM 1069 CG2 THR A 80 -4.189 7.419 -8.711 1.00 0.00 C ATOM 0 H THR A 80 -1.353 10.272 -7.937 1.00 0.00 H new ATOM 0 HA THR A 80 -3.410 8.795 -6.443 1.00 0.00 H new ATOM 0 HB THR A 80 -2.650 8.734 -9.391 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.741 9.770 -9.617 1.00 0.00 H new ATOM 0 HG21 THR A 80 -4.694 7.382 -9.676 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.510 6.571 -8.625 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.929 7.374 -7.912 1.00 0.00 H new ATOM 1077 N TYR A 81 -1.818 6.947 -5.933 1.00 0.00 N ATOM 1078 CA TYR A 81 -0.995 5.775 -5.662 1.00 0.00 C ATOM 1079 C TYR A 81 -1.627 4.518 -6.253 1.00 0.00 C ATOM 1080 O TYR A 81 -2.837 4.315 -6.159 1.00 0.00 O ATOM 1081 CB TYR A 81 -0.797 5.600 -4.156 1.00 0.00 C ATOM 1082 CG TYR A 81 0.210 6.559 -3.562 1.00 0.00 C ATOM 1083 CD1 TYR A 81 0.045 7.934 -3.685 1.00 0.00 C ATOM 1084 CD2 TYR A 81 1.326 6.092 -2.879 1.00 0.00 C ATOM 1085 CE1 TYR A 81 0.963 8.814 -3.144 1.00 0.00 C ATOM 1086 CE2 TYR A 81 2.248 6.965 -2.334 1.00 0.00 C ATOM 1087 CZ TYR A 81 2.063 8.324 -2.470 1.00 0.00 C ATOM 1088 OH TYR A 81 2.980 9.197 -1.931 1.00 0.00 O ATOM 0 H TYR A 81 -2.427 7.221 -5.162 1.00 0.00 H new ATOM 0 HA TYR A 81 -0.024 5.928 -6.133 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.755 5.735 -3.654 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.474 4.578 -3.957 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.815 8.321 -4.212 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.476 5.028 -2.772 1.00 0.00 H new ATOM 0 HE1 TYR A 81 0.820 9.879 -3.248 1.00 0.00 H new ATOM 0 HE2 TYR A 81 3.109 6.585 -1.804 1.00 0.00 H new ATOM 0 HH TYR A 81 2.511 9.962 -1.537 1.00 0.00 H new ATOM 1098 N VAL A 82 -0.797 3.676 -6.861 1.00 0.00 N ATOM 1099 CA VAL A 82 -1.272 2.438 -7.465 1.00 0.00 C ATOM 1100 C VAL A 82 -0.768 1.221 -6.696 1.00 0.00 C ATOM 1101 O VAL A 82 0.438 0.978 -6.622 1.00 0.00 O ATOM 1102 CB VAL A 82 -0.826 2.323 -8.936 1.00 0.00 C ATOM 1103 CG1 VAL A 82 -1.295 1.006 -9.534 1.00 0.00 C ATOM 1104 CG2 VAL A 82 -1.348 3.502 -9.742 1.00 0.00 C ATOM 0 H VAL A 82 0.208 3.829 -6.948 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.361 2.464 -7.424 1.00 0.00 H new ATOM 0 HB VAL A 82 0.263 2.342 -8.972 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.971 0.942 -10.573 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.868 0.177 -8.969 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.383 0.953 -9.489 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.024 3.406 -10.778 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.437 3.517 -9.702 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.957 4.430 -9.324 1.00 0.00 H new ATOM 1114 N ILE A 83 -1.696 0.460 -6.127 1.00 0.00 N ATOM 1115 CA ILE A 83 -1.345 -0.732 -5.365 1.00 0.00 C ATOM 1116 C ILE A 83 -1.719 -1.999 -6.125 1.00 0.00 C ATOM 1117 O ILE A 83 -2.884 -2.212 -6.463 1.00 0.00 O ATOM 1118 CB ILE A 83 -2.039 -0.746 -3.991 1.00 0.00 C ATOM 1119 CG1 ILE A 83 -1.616 0.472 -3.168 1.00 0.00 C ATOM 1120 CG2 ILE A 83 -1.715 -2.033 -3.247 1.00 0.00 C ATOM 1121 CD1 ILE A 83 -2.569 0.802 -2.040 1.00 0.00 C ATOM 0 H ILE A 83 -2.697 0.648 -6.179 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.265 -0.706 -5.217 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.117 -0.700 -4.145 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.624 0.293 -2.754 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.535 1.336 -3.828 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.213 -2.028 -2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.062 -2.887 -3.829 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.637 -2.107 -3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.205 1.676 -1.500 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.557 1.013 -2.449 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.632 -0.045 -1.357 1.00 0.00 H new ATOM 1133 N TYR A 84 -0.724 -2.839 -6.389 1.00 0.00 N ATOM 1134 CA TYR A 84 -0.949 -4.087 -7.110 1.00 0.00 C ATOM 1135 C TYR A 84 -1.207 -5.237 -6.141 1.00 0.00 C ATOM 1136 O TYR A 84 -0.377 -5.540 -5.284 1.00 0.00 O ATOM 1137 CB TYR A 84 0.256 -4.413 -7.996 1.00 0.00 C ATOM 1138 CG TYR A 84 0.506 -3.387 -9.079 1.00 0.00 C ATOM 1139 CD1 TYR A 84 -0.521 -2.970 -9.917 1.00 0.00 C ATOM 1140 CD2 TYR A 84 1.768 -2.837 -9.264 1.00 0.00 C ATOM 1141 CE1 TYR A 84 -0.298 -2.034 -10.908 1.00 0.00 C ATOM 1142 CE2 TYR A 84 2.000 -1.899 -10.252 1.00 0.00 C ATOM 1143 CZ TYR A 84 0.965 -1.502 -11.071 1.00 0.00 C ATOM 1144 OH TYR A 84 1.192 -0.568 -12.057 1.00 0.00 O ATOM 0 H TYR A 84 0.245 -2.679 -6.115 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.831 -3.960 -7.738 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.145 -4.493 -7.371 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.103 -5.388 -8.459 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.510 -3.385 -9.791 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.581 -3.148 -8.625 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.107 -1.720 -11.551 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.987 -1.479 -10.382 1.00 0.00 H new ATOM 0 HH TYR A 84 0.373 -0.053 -12.215 1.00 0.00 H new ATOM 1154 N VAL A 85 -2.365 -5.874 -6.284 1.00 0.00 N ATOM 1155 CA VAL A 85 -2.733 -6.992 -5.424 1.00 0.00 C ATOM 1156 C VAL A 85 -3.282 -8.156 -6.241 1.00 0.00 C ATOM 1157 O VAL A 85 -4.112 -7.967 -7.131 1.00 0.00 O ATOM 1158 CB VAL A 85 -3.785 -6.573 -4.379 1.00 0.00 C ATOM 1159 CG1 VAL A 85 -4.005 -7.686 -3.367 1.00 0.00 C ATOM 1160 CG2 VAL A 85 -3.362 -5.287 -3.686 1.00 0.00 C ATOM 0 H VAL A 85 -3.064 -5.635 -6.987 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.825 -7.308 -4.910 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.729 -6.390 -4.892 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.751 -7.372 -2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.355 -8.581 -3.881 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.067 -7.904 -2.856 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.116 -5.005 -2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.406 -5.441 -3.185 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.260 -4.492 -4.425 1.00 0.00 H new ATOM 1170 N ARG A 86 -2.813 -9.361 -5.934 1.00 0.00 N ATOM 1171 CA ARG A 86 -3.256 -10.557 -6.640 1.00 0.00 C ATOM 1172 C ARG A 86 -3.431 -11.725 -5.674 1.00 0.00 C ATOM 1173 O ARG A 86 -3.116 -11.617 -4.488 1.00 0.00 O ATOM 1174 CB ARG A 86 -2.253 -10.930 -7.732 1.00 0.00 C ATOM 1175 CG ARG A 86 -0.872 -11.277 -7.200 1.00 0.00 C ATOM 1176 CD ARG A 86 0.197 -11.097 -8.266 1.00 0.00 C ATOM 1177 NE ARG A 86 0.691 -9.724 -8.322 1.00 0.00 N ATOM 1178 CZ ARG A 86 1.667 -9.326 -9.130 1.00 0.00 C ATOM 1179 NH1 ARG A 86 2.251 -10.193 -9.946 1.00 0.00 N ATOM 1180 NH2 ARG A 86 2.061 -8.059 -9.122 1.00 0.00 N ATOM 0 H ARG A 86 -2.126 -9.535 -5.201 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.220 -10.341 -7.100 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.640 -11.780 -8.294 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.165 -10.099 -8.432 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.642 -10.645 -6.342 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.865 -12.308 -6.847 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.028 -11.773 -8.063 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.210 -11.375 -9.238 1.00 0.00 H new ATOM 0 HE ARG A 86 0.263 -9.032 -7.707 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.951 -11.168 -9.954 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.000 -9.885 -10.566 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.614 -7.390 -8.495 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.811 -7.754 -9.743 1.00 0.00 H new ATOM 1194 N PHE A 87 -3.935 -12.842 -6.189 1.00 0.00 N ATOM 1195 CA PHE A 87 -4.153 -14.030 -5.372 1.00 0.00 C ATOM 1196 C PHE A 87 -3.637 -15.280 -6.081 1.00 0.00 C ATOM 1197 O PHE A 87 -4.211 -15.725 -7.073 1.00 0.00 O ATOM 1198 CB PHE A 87 -5.641 -14.190 -5.053 1.00 0.00 C ATOM 1199 CG PHE A 87 -5.924 -15.257 -4.036 1.00 0.00 C ATOM 1200 CD1 PHE A 87 -5.755 -15.007 -2.683 1.00 0.00 C ATOM 1201 CD2 PHE A 87 -6.362 -16.511 -4.431 1.00 0.00 C ATOM 1202 CE1 PHE A 87 -6.014 -15.989 -1.746 1.00 0.00 C ATOM 1203 CE2 PHE A 87 -6.624 -17.496 -3.498 1.00 0.00 C ATOM 1204 CZ PHE A 87 -6.450 -17.234 -2.153 1.00 0.00 C ATOM 0 H PHE A 87 -4.200 -12.949 -7.168 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.600 -13.906 -4.441 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.031 -13.239 -4.689 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.178 -14.423 -5.972 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -5.417 -14.034 -2.358 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.500 -16.721 -5.481 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -5.875 -15.782 -0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.964 -18.469 -3.820 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.655 -18.002 -1.421 1.00 0.00 H new ATOM 1214 N GLY A 88 -2.548 -15.839 -5.563 1.00 0.00 N ATOM 1215 CA GLY A 88 -1.971 -17.030 -6.158 1.00 0.00 C ATOM 1216 C GLY A 88 -1.556 -16.815 -7.600 1.00 0.00 C ATOM 1217 O GLY A 88 -1.547 -17.752 -8.397 1.00 0.00 O ATOM 0 H GLY A 88 -2.055 -15.488 -4.742 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.103 -17.339 -5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -2.694 -17.844 -6.109 1.00 0.00 H new ATOM 1221 N GLY A 89 -1.210 -15.576 -7.937 1.00 0.00 N ATOM 1222 CA GLY A 89 -0.798 -15.262 -9.292 1.00 0.00 C ATOM 1223 C GLY A 89 -1.957 -14.817 -10.162 1.00 0.00 C ATOM 1224 O GLY A 89 -1.880 -14.876 -11.389 1.00 0.00 O ATOM 0 H GLY A 89 -1.208 -14.784 -7.295 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.044 -14.475 -9.266 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.329 -16.139 -9.738 1.00 0.00 H new ATOM 1228 N VAL A 90 -3.036 -14.372 -9.526 1.00 0.00 N ATOM 1229 CA VAL A 90 -4.217 -13.916 -10.249 1.00 0.00 C ATOM 1230 C VAL A 90 -4.635 -12.522 -9.796 1.00 0.00 C ATOM 1231 O VAL A 90 -5.234 -12.357 -8.733 1.00 0.00 O ATOM 1232 CB VAL A 90 -5.400 -14.883 -10.059 1.00 0.00 C ATOM 1233 CG1 VAL A 90 -6.626 -14.379 -10.803 1.00 0.00 C ATOM 1234 CG2 VAL A 90 -5.024 -16.283 -10.520 1.00 0.00 C ATOM 0 H VAL A 90 -3.117 -14.318 -8.511 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.949 -13.886 -11.305 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.642 -14.929 -8.997 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -7.452 -15.075 -10.657 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.906 -13.398 -10.420 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.400 -14.302 -11.867 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.872 -16.953 -10.378 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.754 -16.258 -11.576 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.176 -16.643 -9.937 1.00 0.00 H new ATOM 1244 N ASP A 91 -4.316 -11.521 -10.608 1.00 0.00 N ATOM 1245 CA ASP A 91 -4.660 -10.139 -10.292 1.00 0.00 C ATOM 1246 C ASP A 91 -6.170 -9.974 -10.155 1.00 0.00 C ATOM 1247 O ASP A 91 -6.912 -10.126 -11.127 1.00 0.00 O ATOM 1248 CB ASP A 91 -4.127 -9.198 -11.373 1.00 0.00 C ATOM 1249 CG ASP A 91 -4.251 -7.739 -10.982 1.00 0.00 C ATOM 1250 OD1 ASP A 91 -3.545 -7.313 -10.043 1.00 0.00 O ATOM 1251 OD2 ASP A 91 -5.054 -7.021 -11.615 1.00 0.00 O ATOM 0 H ASP A 91 -3.819 -11.640 -11.491 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.196 -9.883 -9.339 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.080 -9.431 -11.570 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.672 -9.370 -12.301 1.00 0.00 H new ATOM 1256 N ILE A 92 -6.619 -9.662 -8.944 1.00 0.00 N ATOM 1257 CA ILE A 92 -8.040 -9.475 -8.680 1.00 0.00 C ATOM 1258 C ILE A 92 -8.641 -8.435 -9.619 1.00 0.00 C ATOM 1259 O ILE A 92 -7.941 -7.597 -10.187 1.00 0.00 O ATOM 1260 CB ILE A 92 -8.291 -9.043 -7.224 1.00 0.00 C ATOM 1261 CG1 ILE A 92 -7.145 -8.160 -6.727 1.00 0.00 C ATOM 1262 CG2 ILE A 92 -8.453 -10.263 -6.330 1.00 0.00 C ATOM 1263 CD1 ILE A 92 -7.483 -7.377 -5.477 1.00 0.00 C ATOM 0 H ILE A 92 -6.019 -9.533 -8.130 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.522 -10.437 -8.852 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.214 -8.464 -7.186 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.274 -8.786 -6.530 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -6.865 -7.464 -7.517 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.630 -9.941 -5.304 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.299 -10.857 -6.675 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.546 -10.866 -6.370 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.624 -6.774 -5.182 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.334 -6.725 -5.675 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.734 -8.068 -4.672 1.00 0.00 H new ATOM 1275 N PRO A 93 -9.972 -8.485 -9.784 1.00 0.00 N ATOM 1276 CA PRO A 93 -10.698 -7.552 -10.651 1.00 0.00 C ATOM 1277 C PRO A 93 -10.723 -6.136 -10.086 1.00 0.00 C ATOM 1278 O PRO A 93 -11.337 -5.239 -10.662 1.00 0.00 O ATOM 1279 CB PRO A 93 -12.112 -8.136 -10.695 1.00 0.00 C ATOM 1280 CG PRO A 93 -12.241 -8.912 -9.431 1.00 0.00 C ATOM 1281 CD PRO A 93 -10.869 -9.456 -9.138 1.00 0.00 C ATOM 0 HA PRO A 93 -10.231 -7.458 -11.631 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.864 -7.349 -10.755 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.249 -8.775 -11.567 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -12.591 -8.277 -8.617 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -12.966 -9.719 -9.540 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.684 -9.523 -8.066 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -10.738 -10.458 -9.547 1.00 0.00 H new ATOM 1289 N ASN A 94 -10.052 -5.943 -8.955 1.00 0.00 N ATOM 1290 CA ASN A 94 -9.998 -4.635 -8.311 1.00 0.00 C ATOM 1291 C ASN A 94 -8.694 -3.918 -8.645 1.00 0.00 C ATOM 1292 O ASN A 94 -8.645 -2.689 -8.701 1.00 0.00 O ATOM 1293 CB ASN A 94 -10.140 -4.784 -6.795 1.00 0.00 C ATOM 1294 CG ASN A 94 -11.587 -4.767 -6.345 1.00 0.00 C ATOM 1295 OD1 ASN A 94 -12.217 -3.711 -6.280 1.00 0.00 O ATOM 1296 ND2 ASN A 94 -12.122 -5.941 -6.029 1.00 0.00 N ATOM 0 H ASN A 94 -9.538 -6.676 -8.465 1.00 0.00 H new ATOM 0 HA ASN A 94 -10.827 -4.036 -8.689 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -9.675 -5.718 -6.480 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -9.599 -3.976 -6.301 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -13.092 -5.992 -5.718 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -11.563 -6.791 -6.098 1.00 0.00 H new ATOM 1303 N SER A 95 -7.638 -4.694 -8.866 1.00 0.00 N ATOM 1304 CA SER A 95 -6.331 -4.134 -9.190 1.00 0.00 C ATOM 1305 C SER A 95 -6.284 -3.673 -10.644 1.00 0.00 C ATOM 1306 O SER A 95 -6.863 -4.291 -11.537 1.00 0.00 O ATOM 1307 CB SER A 95 -5.232 -5.166 -8.935 1.00 0.00 C ATOM 1308 OG SER A 95 -4.029 -4.540 -8.525 1.00 0.00 O ATOM 0 H SER A 95 -7.662 -5.713 -8.827 1.00 0.00 H new ATOM 0 HA SER A 95 -6.164 -3.270 -8.547 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.559 -5.869 -8.169 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.054 -5.744 -9.842 1.00 0.00 H new ATOM 0 HG SER A 95 -3.284 -4.877 -9.065 1.00 0.00 H new ATOM 1314 N PRO A 96 -5.577 -2.560 -10.888 1.00 0.00 N ATOM 1315 CA PRO A 96 -4.883 -1.815 -9.833 1.00 0.00 C ATOM 1316 C PRO A 96 -5.851 -1.111 -8.889 1.00 0.00 C ATOM 1317 O PRO A 96 -7.040 -0.985 -9.183 1.00 0.00 O ATOM 1318 CB PRO A 96 -4.052 -0.791 -10.610 1.00 0.00 C ATOM 1319 CG PRO A 96 -4.781 -0.609 -11.897 1.00 0.00 C ATOM 1320 CD PRO A 96 -5.400 -1.943 -12.213 1.00 0.00 C ATOM 0 HA PRO A 96 -4.289 -2.469 -9.195 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -3.971 0.149 -10.064 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.037 -1.150 -10.778 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.544 0.164 -11.808 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.102 -0.296 -12.690 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.351 -1.831 -12.734 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.754 -2.544 -12.853 1.00 0.00 H new ATOM 1328 N PHE A 97 -5.334 -0.652 -7.754 1.00 0.00 N ATOM 1329 CA PHE A 97 -6.153 0.040 -6.766 1.00 0.00 C ATOM 1330 C PHE A 97 -5.877 1.540 -6.784 1.00 0.00 C ATOM 1331 O PHE A 97 -4.888 2.009 -6.218 1.00 0.00 O ATOM 1332 CB PHE A 97 -5.888 -0.523 -5.367 1.00 0.00 C ATOM 1333 CG PHE A 97 -6.616 -1.806 -5.089 1.00 0.00 C ATOM 1334 CD1 PHE A 97 -6.216 -2.989 -5.688 1.00 0.00 C ATOM 1335 CD2 PHE A 97 -7.702 -1.829 -4.227 1.00 0.00 C ATOM 1336 CE1 PHE A 97 -6.884 -4.172 -5.434 1.00 0.00 C ATOM 1337 CE2 PHE A 97 -8.373 -3.008 -3.968 1.00 0.00 C ATOM 1338 CZ PHE A 97 -7.964 -4.182 -4.574 1.00 0.00 C ATOM 0 H PHE A 97 -4.352 -0.747 -7.496 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.200 -0.121 -7.022 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.817 -0.689 -5.248 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.180 0.219 -4.624 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -5.372 -2.987 -6.362 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -8.027 -0.915 -3.753 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -6.562 -5.087 -5.908 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -9.216 -3.013 -3.293 1.00 0.00 H new ATOM 0 HZ PHE A 97 -8.488 -5.105 -4.375 1.00 0.00 H new ATOM 1348 N THR A 98 -6.758 2.290 -7.439 1.00 0.00 N ATOM 1349 CA THR A 98 -6.608 3.737 -7.534 1.00 0.00 C ATOM 1350 C THR A 98 -6.826 4.402 -6.179 1.00 0.00 C ATOM 1351 O THR A 98 -7.939 4.415 -5.655 1.00 0.00 O ATOM 1352 CB THR A 98 -7.595 4.338 -8.553 1.00 0.00 C ATOM 1353 OG1 THR A 98 -7.387 3.751 -9.842 1.00 0.00 O ATOM 1354 CG2 THR A 98 -7.427 5.848 -8.644 1.00 0.00 C ATOM 0 H THR A 98 -7.583 1.919 -7.911 1.00 0.00 H new ATOM 0 HA THR A 98 -5.589 3.928 -7.870 1.00 0.00 H new ATOM 0 HB THR A 98 -8.608 4.121 -8.215 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.019 4.137 -10.483 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.134 6.250 -9.370 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.616 6.295 -7.668 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.411 6.083 -8.960 1.00 0.00 H new ATOM 1362 N VAL A 99 -5.756 4.955 -5.618 1.00 0.00 N ATOM 1363 CA VAL A 99 -5.830 5.624 -4.325 1.00 0.00 C ATOM 1364 C VAL A 99 -5.337 7.063 -4.421 1.00 0.00 C ATOM 1365 O VAL A 99 -4.188 7.314 -4.786 1.00 0.00 O ATOM 1366 CB VAL A 99 -5.003 4.880 -3.259 1.00 0.00 C ATOM 1367 CG1 VAL A 99 -5.154 5.550 -1.902 1.00 0.00 C ATOM 1368 CG2 VAL A 99 -5.416 3.418 -3.190 1.00 0.00 C ATOM 0 H VAL A 99 -4.827 4.953 -6.039 1.00 0.00 H new ATOM 0 HA VAL A 99 -6.879 5.621 -4.028 1.00 0.00 H new ATOM 0 HB VAL A 99 -3.952 4.924 -3.544 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.563 5.010 -1.162 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.805 6.581 -1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.203 5.540 -1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -4.822 2.907 -2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.472 3.350 -2.930 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.250 2.947 -4.159 1.00 0.00 H new ATOM 1378 N MET A 100 -6.213 8.007 -4.092 1.00 0.00 N ATOM 1379 CA MET A 100 -5.865 9.422 -4.139 1.00 0.00 C ATOM 1380 C MET A 100 -5.418 9.918 -2.769 1.00 0.00 C ATOM 1381 O MET A 100 -6.205 9.951 -1.823 1.00 0.00 O ATOM 1382 CB MET A 100 -7.059 10.246 -4.629 1.00 0.00 C ATOM 1383 CG MET A 100 -6.777 11.737 -4.705 1.00 0.00 C ATOM 1384 SD MET A 100 -5.792 12.185 -6.147 1.00 0.00 S ATOM 1385 CE MET A 100 -6.569 13.728 -6.622 1.00 0.00 C ATOM 0 H MET A 100 -7.169 7.817 -3.790 1.00 0.00 H new ATOM 0 HA MET A 100 -5.037 9.544 -4.837 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.356 9.890 -5.616 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.904 10.078 -3.962 1.00 0.00 H new ATOM 0 HG2 MET A 100 -7.721 12.281 -4.732 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.254 12.051 -3.801 1.00 0.00 H new ATOM 0 HE1 MET A 100 -6.069 14.131 -7.503 1.00 0.00 H new ATOM 0 HE2 MET A 100 -7.620 13.551 -6.850 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.491 14.442 -5.802 1.00 0.00 H new ATOM 1395 N ALA A 101 -4.150 10.304 -2.668 1.00 0.00 N ATOM 1396 CA ALA A 101 -3.599 10.800 -1.414 1.00 0.00 C ATOM 1397 C ALA A 101 -3.546 12.324 -1.403 1.00 0.00 C ATOM 1398 O ALA A 101 -2.829 12.938 -2.193 1.00 0.00 O ATOM 1399 CB ALA A 101 -2.212 10.221 -1.181 1.00 0.00 C ATOM 0 H ALA A 101 -3.485 10.282 -3.441 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.255 10.479 -0.605 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.813 10.600 -0.240 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.274 9.134 -1.137 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.554 10.513 -1.999 1.00 0.00 H new ATOM 1405 N THR A 102 -4.310 12.931 -0.500 1.00 0.00 N ATOM 1406 CA THR A 102 -4.353 14.384 -0.387 1.00 0.00 C ATOM 1407 C THR A 102 -3.291 14.891 0.583 1.00 0.00 C ATOM 1408 O THR A 102 -2.967 14.224 1.567 1.00 0.00 O ATOM 1409 CB THR A 102 -5.736 14.872 0.082 1.00 0.00 C ATOM 1410 OG1 THR A 102 -6.127 14.169 1.267 1.00 0.00 O ATOM 1411 CG2 THR A 102 -6.780 14.665 -1.004 1.00 0.00 C ATOM 0 H THR A 102 -4.908 12.439 0.164 1.00 0.00 H new ATOM 0 HA THR A 102 -4.154 14.784 -1.381 1.00 0.00 H new ATOM 0 HB THR A 102 -5.667 15.938 0.298 1.00 0.00 H new ATOM 0 HG1 THR A 102 -6.820 14.679 1.736 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.749 15.017 -0.649 1.00 0.00 H new ATOM 0 HG22 THR A 102 -6.494 15.225 -1.895 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.846 13.605 -1.247 1.00 0.00 H new ATOM 1419 N ASP A 103 -2.755 16.073 0.302 1.00 0.00 N ATOM 1420 CA ASP A 103 -1.731 16.670 1.151 1.00 0.00 C ATOM 1421 C ASP A 103 -2.302 17.030 2.519 1.00 0.00 C ATOM 1422 O ASP A 103 -1.589 17.027 3.521 1.00 0.00 O ATOM 1423 CB ASP A 103 -1.147 17.916 0.484 1.00 0.00 C ATOM 1424 CG ASP A 103 -2.099 19.096 0.528 1.00 0.00 C ATOM 1425 OD1 ASP A 103 -3.290 18.908 0.204 1.00 0.00 O ATOM 1426 OD2 ASP A 103 -1.652 20.206 0.884 1.00 0.00 O ATOM 0 H ASP A 103 -3.013 16.637 -0.508 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.937 15.937 1.290 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -0.214 18.186 0.979 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.903 17.688 -0.554 1.00 0.00 H new ATOM 1431 N GLY A 104 -3.595 17.341 2.553 1.00 0.00 N ATOM 1432 CA GLY A 104 -4.240 17.700 3.801 1.00 0.00 C ATOM 1433 C GLY A 104 -3.347 18.539 4.694 1.00 0.00 C ATOM 1434 O GLY A 104 -2.426 19.201 4.216 1.00 0.00 O ATOM 0 H GLY A 104 -4.207 17.350 1.737 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -5.156 18.251 3.588 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -4.530 16.793 4.331 1.00 0.00 H new ATOM 1438 N GLU A 105 -3.621 18.513 5.995 1.00 0.00 N ATOM 1439 CA GLU A 105 -2.837 19.281 6.955 1.00 0.00 C ATOM 1440 C GLU A 105 -1.343 19.126 6.685 1.00 0.00 C ATOM 1441 O GLU A 105 -0.823 18.011 6.625 1.00 0.00 O ATOM 1442 CB GLU A 105 -3.156 18.832 8.382 1.00 0.00 C ATOM 1443 CG GLU A 105 -3.497 17.356 8.495 1.00 0.00 C ATOM 1444 CD GLU A 105 -3.158 16.781 9.856 1.00 0.00 C ATOM 1445 OE1 GLU A 105 -2.041 17.044 10.351 1.00 0.00 O ATOM 1446 OE2 GLU A 105 -4.009 16.067 10.427 1.00 0.00 O ATOM 0 H GLU A 105 -4.379 17.969 6.408 1.00 0.00 H new ATOM 0 HA GLU A 105 -3.102 20.332 6.844 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -2.300 19.048 9.022 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -3.993 19.419 8.760 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -4.560 17.217 8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -2.958 16.803 7.726 1.00 0.00 H new ATOM 1453 N VAL A 106 -0.657 20.253 6.522 1.00 0.00 N ATOM 1454 CA VAL A 106 0.777 20.243 6.258 1.00 0.00 C ATOM 1455 C VAL A 106 1.567 19.940 7.525 1.00 0.00 C ATOM 1456 O VAL A 106 1.157 20.303 8.628 1.00 0.00 O ATOM 1457 CB VAL A 106 1.250 21.591 5.682 1.00 0.00 C ATOM 1458 CG1 VAL A 106 0.932 21.680 4.197 1.00 0.00 C ATOM 1459 CG2 VAL A 106 0.616 22.748 6.440 1.00 0.00 C ATOM 0 H VAL A 106 -1.071 21.184 6.568 1.00 0.00 H new ATOM 0 HA VAL A 106 0.958 19.458 5.524 1.00 0.00 H new ATOM 0 HB VAL A 106 2.331 21.656 5.803 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.274 22.639 3.809 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.438 20.873 3.667 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -0.144 21.592 4.049 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.962 23.692 6.019 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.469 22.688 6.354 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.900 22.694 7.491 1.00 0.00 H new ATOM 1469 N THR A 107 2.704 19.271 7.361 1.00 0.00 N ATOM 1470 CA THR A 107 3.552 18.917 8.492 1.00 0.00 C ATOM 1471 C THR A 107 4.589 20.000 8.762 1.00 0.00 C ATOM 1472 O THR A 107 5.038 20.175 9.895 1.00 0.00 O ATOM 1473 CB THR A 107 4.276 17.578 8.255 1.00 0.00 C ATOM 1474 OG1 THR A 107 3.422 16.680 7.537 1.00 0.00 O ATOM 1475 CG2 THR A 107 4.690 16.944 9.574 1.00 0.00 C ATOM 0 H THR A 107 3.059 18.963 6.455 1.00 0.00 H new ATOM 0 HA THR A 107 2.898 18.820 9.358 1.00 0.00 H new ATOM 0 HB THR A 107 5.173 17.775 7.668 1.00 0.00 H new ATOM 0 HG1 THR A 107 3.890 15.832 7.389 1.00 0.00 H new ATOM 0 HG21 THR A 107 5.199 16.000 9.380 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.363 17.617 10.106 1.00 0.00 H new ATOM 0 HG23 THR A 107 3.805 16.760 10.183 1.00 0.00 H new ATOM 1483 N ALA A 108 4.966 20.727 7.715 1.00 0.00 N ATOM 1484 CA ALA A 108 5.949 21.797 7.840 1.00 0.00 C ATOM 1485 C ALA A 108 7.231 21.290 8.491 1.00 0.00 C ATOM 1486 O ALA A 108 7.742 21.895 9.433 1.00 0.00 O ATOM 1487 CB ALA A 108 5.370 22.954 8.640 1.00 0.00 C ATOM 0 H ALA A 108 4.605 20.594 6.770 1.00 0.00 H new ATOM 0 HA ALA A 108 6.196 22.150 6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.114 23.746 8.726 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.486 23.340 8.133 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.094 22.606 9.636 1.00 0.00 H new ATOM 1493 N VAL A 109 7.746 20.173 7.984 1.00 0.00 N ATOM 1494 CA VAL A 109 8.970 19.586 8.516 1.00 0.00 C ATOM 1495 C VAL A 109 10.022 19.426 7.425 1.00 0.00 C ATOM 1496 O VAL A 109 9.699 19.387 6.238 1.00 0.00 O ATOM 1497 CB VAL A 109 8.700 18.212 9.157 1.00 0.00 C ATOM 1498 CG1 VAL A 109 7.703 18.343 10.300 1.00 0.00 C ATOM 1499 CG2 VAL A 109 8.200 17.226 8.113 1.00 0.00 C ATOM 0 H VAL A 109 7.334 19.657 7.206 1.00 0.00 H new ATOM 0 HA VAL A 109 9.343 20.269 9.279 1.00 0.00 H new ATOM 0 HB VAL A 109 9.636 17.830 9.565 1.00 0.00 H new ATOM 0 HG11 VAL A 109 7.524 17.362 10.741 1.00 0.00 H new ATOM 0 HG12 VAL A 109 8.105 19.014 11.059 1.00 0.00 H new ATOM 0 HG13 VAL A 109 6.764 18.746 9.920 1.00 0.00 H new ATOM 0 HG21 VAL A 109 8.014 16.261 8.584 1.00 0.00 H new ATOM 0 HG22 VAL A 109 7.275 17.599 7.674 1.00 0.00 H new ATOM 0 HG23 VAL A 109 8.952 17.110 7.332 1.00 0.00 H new ATOM 1509 N GLU A 110 11.283 19.336 7.836 1.00 0.00 N ATOM 1510 CA GLU A 110 12.385 19.181 6.892 1.00 0.00 C ATOM 1511 C GLU A 110 12.781 17.714 6.754 1.00 0.00 C ATOM 1512 O GLU A 110 12.830 16.980 7.740 1.00 0.00 O ATOM 1513 CB GLU A 110 13.592 20.007 7.342 1.00 0.00 C ATOM 1514 CG GLU A 110 14.578 20.303 6.224 1.00 0.00 C ATOM 1515 CD GLU A 110 15.958 20.655 6.743 1.00 0.00 C ATOM 1516 OE1 GLU A 110 16.532 19.845 7.500 1.00 0.00 O ATOM 1517 OE2 GLU A 110 16.466 21.740 6.390 1.00 0.00 O ATOM 0 H GLU A 110 11.567 19.368 8.815 1.00 0.00 H new ATOM 0 HA GLU A 110 12.050 19.542 5.920 1.00 0.00 H new ATOM 0 HB2 GLU A 110 13.240 20.949 7.764 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.109 19.474 8.140 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.651 19.435 5.569 1.00 0.00 H new ATOM 0 HG3 GLU A 110 14.200 21.127 5.620 1.00 0.00 H new ATOM 1524 N GLU A 111 13.063 17.296 5.524 1.00 0.00 N ATOM 1525 CA GLU A 111 13.453 15.917 5.257 1.00 0.00 C ATOM 1526 C GLU A 111 14.630 15.505 6.137 1.00 0.00 C ATOM 1527 O GLU A 111 15.430 16.342 6.554 1.00 0.00 O ATOM 1528 CB GLU A 111 13.820 15.743 3.782 1.00 0.00 C ATOM 1529 CG GLU A 111 13.692 14.312 3.286 1.00 0.00 C ATOM 1530 CD GLU A 111 14.244 14.128 1.887 1.00 0.00 C ATOM 1531 OE1 GLU A 111 15.457 14.357 1.694 1.00 0.00 O ATOM 1532 OE2 GLU A 111 13.466 13.754 0.985 1.00 0.00 O ATOM 0 H GLU A 111 13.029 17.892 4.697 1.00 0.00 H new ATOM 0 HA GLU A 111 12.604 15.275 5.490 1.00 0.00 H new ATOM 0 HB2 GLU A 111 13.179 16.386 3.179 1.00 0.00 H new ATOM 0 HB3 GLU A 111 14.845 16.081 3.629 1.00 0.00 H new ATOM 0 HG2 GLU A 111 14.218 13.646 3.970 1.00 0.00 H new ATOM 0 HG3 GLU A 111 12.642 14.019 3.300 1.00 0.00 H new ATOM 1539 N ALA A 112 14.728 14.210 6.415 1.00 0.00 N ATOM 1540 CA ALA A 112 15.806 13.686 7.243 1.00 0.00 C ATOM 1541 C ALA A 112 17.058 13.422 6.413 1.00 0.00 C ATOM 1542 O ALA A 112 16.989 13.016 5.253 1.00 0.00 O ATOM 1543 CB ALA A 112 15.361 12.412 7.947 1.00 0.00 C ATOM 0 H ALA A 112 14.073 13.504 6.079 1.00 0.00 H new ATOM 0 HA ALA A 112 16.050 14.437 7.994 1.00 0.00 H new ATOM 0 HB1 ALA A 112 16.177 12.032 8.562 1.00 0.00 H new ATOM 0 HB2 ALA A 112 14.500 12.628 8.580 1.00 0.00 H new ATOM 0 HB3 ALA A 112 15.087 11.663 7.204 1.00 0.00 H new ATOM 1549 N PRO A 113 18.232 13.659 7.018 1.00 0.00 N ATOM 1550 CA PRO A 113 19.522 13.454 6.352 1.00 0.00 C ATOM 1551 C PRO A 113 19.827 11.978 6.121 1.00 0.00 C ATOM 1552 O PRO A 113 20.852 11.630 5.535 1.00 0.00 O ATOM 1553 CB PRO A 113 20.527 14.061 7.333 1.00 0.00 C ATOM 1554 CG PRO A 113 19.861 13.974 8.662 1.00 0.00 C ATOM 1555 CD PRO A 113 18.390 14.144 8.399 1.00 0.00 C ATOM 0 HA PRO A 113 19.546 13.907 5.361 1.00 0.00 H new ATOM 0 HB2 PRO A 113 21.468 13.512 7.326 1.00 0.00 H new ATOM 0 HB3 PRO A 113 20.759 15.094 7.073 1.00 0.00 H new ATOM 0 HG2 PRO A 113 20.064 13.015 9.138 1.00 0.00 H new ATOM 0 HG3 PRO A 113 20.229 14.748 9.335 1.00 0.00 H new ATOM 0 HD2 PRO A 113 17.787 13.566 9.099 1.00 0.00 H new ATOM 0 HD3 PRO A 113 18.082 15.185 8.497 1.00 0.00 H new ATOM 1563 N VAL A 114 18.930 11.114 6.584 1.00 0.00 N ATOM 1564 CA VAL A 114 19.103 9.674 6.426 1.00 0.00 C ATOM 1565 C VAL A 114 19.796 9.345 5.109 1.00 0.00 C ATOM 1566 O VAL A 114 19.330 9.731 4.038 1.00 0.00 O ATOM 1567 CB VAL A 114 17.752 8.937 6.482 1.00 0.00 C ATOM 1568 CG1 VAL A 114 16.966 9.165 5.200 1.00 0.00 C ATOM 1569 CG2 VAL A 114 17.965 7.452 6.728 1.00 0.00 C ATOM 0 H VAL A 114 18.076 11.385 7.072 1.00 0.00 H new ATOM 0 HA VAL A 114 19.726 9.337 7.254 1.00 0.00 H new ATOM 0 HB VAL A 114 17.173 9.340 7.312 1.00 0.00 H new ATOM 0 HG11 VAL A 114 16.014 8.637 5.258 1.00 0.00 H new ATOM 0 HG12 VAL A 114 16.782 10.232 5.071 1.00 0.00 H new ATOM 0 HG13 VAL A 114 17.538 8.790 4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 114 17.000 6.947 6.765 1.00 0.00 H new ATOM 0 HG22 VAL A 114 18.564 7.032 5.920 1.00 0.00 H new ATOM 0 HG23 VAL A 114 18.484 7.311 7.676 1.00 0.00 H new ATOM 1579 N ASN A 115 20.912 8.629 5.197 1.00 0.00 N ATOM 1580 CA ASN A 115 21.671 8.247 4.010 1.00 0.00 C ATOM 1581 C ASN A 115 21.662 6.734 3.823 1.00 0.00 C ATOM 1582 O ASN A 115 21.090 6.001 4.630 1.00 0.00 O ATOM 1583 CB ASN A 115 23.112 8.751 4.117 1.00 0.00 C ATOM 1584 CG ASN A 115 23.727 8.459 5.472 1.00 0.00 C ATOM 1585 OD1 ASN A 115 23.172 7.702 6.269 1.00 0.00 O ATOM 1586 ND2 ASN A 115 24.880 9.060 5.740 1.00 0.00 N ATOM 0 H ASN A 115 21.311 8.301 6.077 1.00 0.00 H new ATOM 0 HA ASN A 115 21.196 8.705 3.142 1.00 0.00 H new ATOM 0 HB2 ASN A 115 23.716 8.285 3.339 1.00 0.00 H new ATOM 0 HB3 ASN A 115 23.133 9.826 3.935 1.00 0.00 H new ATOM 0 HD21 ASN A 115 25.341 8.902 6.636 1.00 0.00 H new ATOM 0 HD22 ASN A 115 25.305 9.680 5.050 1.00 0.00 H new ATOM 1593 N ALA A 116 22.299 6.272 2.752 1.00 0.00 N ATOM 1594 CA ALA A 116 22.366 4.846 2.458 1.00 0.00 C ATOM 1595 C ALA A 116 23.782 4.312 2.651 1.00 0.00 C ATOM 1596 O ALA A 116 24.750 5.073 2.629 1.00 0.00 O ATOM 1597 CB ALA A 116 21.885 4.574 1.041 1.00 0.00 C ATOM 0 H ALA A 116 22.776 6.865 2.073 1.00 0.00 H new ATOM 0 HA ALA A 116 21.711 4.326 3.157 1.00 0.00 H new ATOM 0 HB1 ALA A 116 21.941 3.505 0.837 1.00 0.00 H new ATOM 0 HB2 ALA A 116 20.853 4.910 0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 116 22.515 5.112 0.333 1.00 0.00 H new ATOM 1603 N CYS A 117 23.895 3.002 2.838 1.00 0.00 N ATOM 1604 CA CYS A 117 25.194 2.367 3.034 1.00 0.00 C ATOM 1605 C CYS A 117 25.594 1.557 1.807 1.00 0.00 C ATOM 1606 O CYS A 117 24.783 0.850 1.207 1.00 0.00 O ATOM 1607 CB CYS A 117 25.161 1.465 4.269 1.00 0.00 C ATOM 1608 SG CYS A 117 26.657 0.476 4.500 1.00 0.00 S ATOM 0 H CYS A 117 23.104 2.359 2.858 1.00 0.00 H new ATOM 0 HA CYS A 117 25.936 3.151 3.185 1.00 0.00 H new ATOM 0 HB2 CYS A 117 25.007 2.083 5.153 1.00 0.00 H new ATOM 0 HB3 CYS A 117 24.304 0.796 4.194 1.00 0.00 H new ATOM 0 HG CYS A 117 26.952 -0.131 3.389 1.00 0.00 H new ATOM 1614 N PRO A 118 26.873 1.661 1.420 1.00 0.00 N ATOM 1615 CA PRO A 118 27.411 0.945 0.259 1.00 0.00 C ATOM 1616 C PRO A 118 27.503 -0.558 0.496 1.00 0.00 C ATOM 1617 O PRO A 118 27.612 -1.011 1.636 1.00 0.00 O ATOM 1618 CB PRO A 118 28.809 1.546 0.087 1.00 0.00 C ATOM 1619 CG PRO A 118 29.180 2.037 1.444 1.00 0.00 C ATOM 1620 CD PRO A 118 27.895 2.486 2.087 1.00 0.00 C ATOM 0 HA PRO A 118 26.774 1.056 -0.618 1.00 0.00 H new ATOM 0 HB2 PRO A 118 29.519 0.801 -0.272 1.00 0.00 H new ATOM 0 HB3 PRO A 118 28.804 2.358 -0.640 1.00 0.00 H new ATOM 0 HG2 PRO A 118 29.654 1.248 2.028 1.00 0.00 H new ATOM 0 HG3 PRO A 118 29.893 2.859 1.380 1.00 0.00 H new ATOM 0 HD2 PRO A 118 27.905 2.320 3.164 1.00 0.00 H new ATOM 0 HD3 PRO A 118 27.718 3.550 1.930 1.00 0.00 H new ATOM 1628 N SER A 119 27.459 -1.328 -0.586 1.00 0.00 N ATOM 1629 CA SER A 119 27.534 -2.781 -0.495 1.00 0.00 C ATOM 1630 C SER A 119 28.824 -3.216 0.194 1.00 0.00 C ATOM 1631 O SER A 119 29.897 -3.204 -0.409 1.00 0.00 O ATOM 1632 CB SER A 119 27.451 -3.406 -1.889 1.00 0.00 C ATOM 1633 OG SER A 119 28.566 -3.035 -2.682 1.00 0.00 O ATOM 0 H SER A 119 27.372 -0.969 -1.537 1.00 0.00 H new ATOM 0 HA SER A 119 26.689 -3.127 0.101 1.00 0.00 H new ATOM 0 HB2 SER A 119 27.408 -4.492 -1.802 1.00 0.00 H new ATOM 0 HB3 SER A 119 26.531 -3.089 -2.379 1.00 0.00 H new ATOM 0 HG SER A 119 29.381 -3.075 -2.140 1.00 0.00 H new ATOM 1639 N GLY A 120 28.711 -3.602 1.461 1.00 0.00 N ATOM 1640 CA GLY A 120 29.875 -4.034 2.212 1.00 0.00 C ATOM 1641 C GLY A 120 30.201 -5.497 1.983 1.00 0.00 C ATOM 1642 O GLY A 120 30.160 -5.995 0.857 1.00 0.00 O ATOM 0 H GLY A 120 27.834 -3.623 1.981 1.00 0.00 H new ATOM 0 HA2 GLY A 120 30.733 -3.425 1.929 1.00 0.00 H new ATOM 0 HA3 GLY A 120 29.701 -3.865 3.275 1.00 0.00 H new ATOM 1646 N PRO A 121 30.535 -6.211 3.068 1.00 0.00 N ATOM 1647 CA PRO A 121 30.877 -7.635 3.006 1.00 0.00 C ATOM 1648 C PRO A 121 29.669 -8.507 2.683 1.00 0.00 C ATOM 1649 O PRO A 121 28.815 -8.741 3.538 1.00 0.00 O ATOM 1650 CB PRO A 121 31.396 -7.937 4.413 1.00 0.00 C ATOM 1651 CG PRO A 121 30.745 -6.918 5.285 1.00 0.00 C ATOM 1652 CD PRO A 121 30.604 -5.682 4.441 1.00 0.00 C ATOM 0 HA PRO A 121 31.599 -7.847 2.217 1.00 0.00 H new ATOM 0 HB2 PRO A 121 31.134 -8.949 4.723 1.00 0.00 H new ATOM 0 HB3 PRO A 121 32.482 -7.861 4.459 1.00 0.00 H new ATOM 0 HG2 PRO A 121 29.773 -7.266 5.633 1.00 0.00 H new ATOM 0 HG3 PRO A 121 31.348 -6.719 6.171 1.00 0.00 H new ATOM 0 HD2 PRO A 121 29.707 -5.119 4.700 1.00 0.00 H new ATOM 0 HD3 PRO A 121 31.451 -5.009 4.570 1.00 0.00 H new ATOM 1660 N SER A 122 29.605 -8.987 1.446 1.00 0.00 N ATOM 1661 CA SER A 122 28.499 -9.832 1.010 1.00 0.00 C ATOM 1662 C SER A 122 29.016 -11.123 0.384 1.00 0.00 C ATOM 1663 O SER A 122 30.154 -11.189 -0.080 1.00 0.00 O ATOM 1664 CB SER A 122 27.620 -9.081 0.007 1.00 0.00 C ATOM 1665 OG SER A 122 26.562 -9.901 -0.456 1.00 0.00 O ATOM 0 H SER A 122 30.306 -8.806 0.727 1.00 0.00 H new ATOM 0 HA SER A 122 27.902 -10.087 1.885 1.00 0.00 H new ATOM 0 HB2 SER A 122 27.212 -8.185 0.475 1.00 0.00 H new ATOM 0 HB3 SER A 122 28.226 -8.752 -0.837 1.00 0.00 H new ATOM 0 HG SER A 122 26.014 -9.398 -1.094 1.00 0.00 H new ATOM 1671 N SER A 123 28.171 -12.149 0.375 1.00 0.00 N ATOM 1672 CA SER A 123 28.543 -13.442 -0.189 1.00 0.00 C ATOM 1673 C SER A 123 27.524 -13.892 -1.232 1.00 0.00 C ATOM 1674 O SER A 123 27.886 -14.291 -2.338 1.00 0.00 O ATOM 1675 CB SER A 123 28.656 -14.493 0.917 1.00 0.00 C ATOM 1676 OG SER A 123 27.437 -14.617 1.629 1.00 0.00 O ATOM 0 H SER A 123 27.224 -12.110 0.752 1.00 0.00 H new ATOM 0 HA SER A 123 29.512 -13.333 -0.675 1.00 0.00 H new ATOM 0 HB2 SER A 123 28.926 -15.455 0.482 1.00 0.00 H new ATOM 0 HB3 SER A 123 29.456 -14.218 1.604 1.00 0.00 H new ATOM 0 HG SER A 123 27.535 -15.296 2.329 1.00 0.00 H new ATOM 1682 N GLY A 124 26.246 -13.823 -0.870 1.00 0.00 N ATOM 1683 CA GLY A 124 25.194 -14.227 -1.784 1.00 0.00 C ATOM 1684 C GLY A 124 23.822 -14.193 -1.140 1.00 0.00 C ATOM 1685 O GLY A 124 23.362 -15.194 -0.591 1.00 0.00 O ATOM 0 H GLY A 124 25.921 -13.495 0.039 1.00 0.00 H new ATOM 0 HA2 GLY A 124 25.200 -13.570 -2.654 1.00 0.00 H new ATOM 0 HA3 GLY A 124 25.398 -15.235 -2.145 1.00 0.00 H new TER 1689 GLY A 124