USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 771 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 54 SER OG : rot 58:sc= 0.00915 USER MOD Set 1.3: A 58 SER OG : rot 95:sc= 0.828 USER MOD Set 2.1: A 49 TYR OH : rot -32:sc= 1.03 USER MOD Set 2.2: A 62 SER OG : rot -11:sc= 1.59 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 36:sc= 0.343 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 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 19 ASN : amide:sc= -0.0071 X(o=-0.0071,f=-0.092) USER MOD Single : A 22 GLN : amide:sc= -0.0252 X(o=-0.025,f=-0.025) USER MOD Single : A 30 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.16) USER MOD Single : A 32 SER OG : rot 180:sc= -0.194 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.09 K(o=-1.1,f=-1.6) USER MOD Single : A 53 THR OG1 : rot -24:sc= 0.494 USER MOD Single : A 56 SER OG : rot -150:sc= 0.00387 USER MOD Single : A 63 TYR OH : rot -166:sc= 0.0715 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 164:sc= -5.17 (180deg=-5.99!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 153:sc= 0 (180deg=-0.623) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= -0.0763 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.219 -25.858 -19.159 1.00 0.00 N ATOM 2 CA GLY A 1 9.845 -25.799 -18.697 1.00 0.00 C ATOM 3 C GLY A 1 9.398 -24.384 -18.388 1.00 0.00 C ATOM 4 O GLY A 1 9.426 -23.954 -17.235 1.00 0.00 O ATOM 0 H1 GLY A 1 11.477 -26.846 -19.357 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.318 -25.294 -20.027 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.849 -25.476 -18.425 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.191 -26.226 -19.457 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.739 -26.414 -17.803 1.00 0.00 H new ATOM 8 N SER A 2 8.986 -23.656 -19.421 1.00 0.00 N ATOM 9 CA SER A 2 8.536 -22.279 -19.255 1.00 0.00 C ATOM 10 C SER A 2 7.622 -22.148 -18.041 1.00 0.00 C ATOM 11 O SER A 2 6.503 -22.662 -18.034 1.00 0.00 O ATOM 12 CB SER A 2 7.804 -21.804 -20.512 1.00 0.00 C ATOM 13 OG SER A 2 6.776 -22.709 -20.876 1.00 0.00 O ATOM 0 H SER A 2 8.955 -23.997 -20.382 1.00 0.00 H new ATOM 0 HA SER A 2 9.414 -21.653 -19.096 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.378 -20.816 -20.337 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.513 -21.704 -21.334 1.00 0.00 H new ATOM 0 HG SER A 2 6.357 -23.071 -20.067 1.00 0.00 H new ATOM 19 N SER A 3 8.106 -21.457 -17.015 1.00 0.00 N ATOM 20 CA SER A 3 7.336 -21.261 -15.792 1.00 0.00 C ATOM 21 C SER A 3 6.103 -20.402 -16.059 1.00 0.00 C ATOM 22 O SER A 3 6.013 -19.728 -17.084 1.00 0.00 O ATOM 23 CB SER A 3 8.204 -20.607 -14.716 1.00 0.00 C ATOM 24 OG SER A 3 9.348 -21.395 -14.435 1.00 0.00 O ATOM 0 H SER A 3 9.029 -21.023 -17.006 1.00 0.00 H new ATOM 0 HA SER A 3 7.008 -22.238 -15.438 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.514 -19.616 -15.047 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.620 -20.471 -13.806 1.00 0.00 H new ATOM 0 HG SER A 3 9.887 -20.955 -13.745 1.00 0.00 H new ATOM 30 N GLY A 4 5.156 -20.432 -15.127 1.00 0.00 N ATOM 31 CA GLY A 4 3.941 -19.652 -15.278 1.00 0.00 C ATOM 32 C GLY A 4 4.133 -18.198 -14.895 1.00 0.00 C ATOM 33 O GLY A 4 5.166 -17.828 -14.337 1.00 0.00 O ATOM 0 H GLY A 4 5.208 -20.982 -14.270 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.602 -19.710 -16.312 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.155 -20.086 -14.660 1.00 0.00 H new ATOM 37 N SER A 5 3.136 -17.372 -15.195 1.00 0.00 N ATOM 38 CA SER A 5 3.202 -15.949 -14.882 1.00 0.00 C ATOM 39 C SER A 5 2.017 -15.526 -14.021 1.00 0.00 C ATOM 40 O SER A 5 2.188 -15.069 -12.891 1.00 0.00 O ATOM 41 CB SER A 5 3.232 -15.124 -16.170 1.00 0.00 C ATOM 42 OG SER A 5 4.535 -15.090 -16.725 1.00 0.00 O ATOM 0 H SER A 5 2.273 -17.663 -15.654 1.00 0.00 H new ATOM 0 HA SER A 5 4.119 -15.768 -14.321 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.536 -15.549 -16.894 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.895 -14.108 -15.963 1.00 0.00 H new ATOM 0 HG SER A 5 4.526 -14.558 -17.548 1.00 0.00 H new ATOM 48 N SER A 6 0.813 -15.683 -14.563 1.00 0.00 N ATOM 49 CA SER A 6 -0.402 -15.314 -13.847 1.00 0.00 C ATOM 50 C SER A 6 -0.615 -16.218 -12.636 1.00 0.00 C ATOM 51 O SER A 6 -1.323 -17.221 -12.713 1.00 0.00 O ATOM 52 CB SER A 6 -1.613 -15.396 -14.778 1.00 0.00 C ATOM 53 OG SER A 6 -1.777 -14.193 -15.508 1.00 0.00 O ATOM 0 H SER A 6 0.653 -16.063 -15.496 1.00 0.00 H new ATOM 0 HA SER A 6 -0.290 -14.288 -13.497 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.489 -16.230 -15.469 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.512 -15.596 -14.194 1.00 0.00 H new ATOM 0 HG SER A 6 -2.556 -14.271 -16.097 1.00 0.00 H new ATOM 59 N GLY A 7 0.006 -15.855 -11.517 1.00 0.00 N ATOM 60 CA GLY A 7 -0.127 -16.643 -10.306 1.00 0.00 C ATOM 61 C GLY A 7 -0.916 -15.924 -9.230 1.00 0.00 C ATOM 62 O GLY A 7 -0.859 -14.701 -9.101 1.00 0.00 O ATOM 0 H GLY A 7 0.598 -15.029 -11.428 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.618 -17.587 -10.543 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.864 -16.886 -9.924 1.00 0.00 H new ATOM 66 N PRO A 8 -1.675 -16.692 -8.434 1.00 0.00 N ATOM 67 CA PRO A 8 -2.495 -16.141 -7.351 1.00 0.00 C ATOM 68 C PRO A 8 -1.650 -15.610 -6.197 1.00 0.00 C ATOM 69 O PRO A 8 -2.180 -15.141 -5.191 1.00 0.00 O ATOM 70 CB PRO A 8 -3.330 -17.339 -6.894 1.00 0.00 C ATOM 71 CG PRO A 8 -2.520 -18.532 -7.270 1.00 0.00 C ATOM 72 CD PRO A 8 -1.792 -18.156 -8.531 1.00 0.00 C ATOM 0 HA PRO A 8 -3.090 -15.290 -7.683 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.513 -17.307 -5.820 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.304 -17.352 -7.383 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.819 -18.793 -6.477 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.157 -19.401 -7.431 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.814 -18.634 -8.588 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.346 -18.457 -9.420 1.00 0.00 H new ATOM 80 N GLY A 9 -0.331 -15.688 -6.351 1.00 0.00 N ATOM 81 CA GLY A 9 0.565 -15.211 -5.314 1.00 0.00 C ATOM 82 C GLY A 9 1.629 -14.275 -5.853 1.00 0.00 C ATOM 83 O GLY A 9 2.359 -14.622 -6.782 1.00 0.00 O ATOM 0 H GLY A 9 0.132 -16.073 -7.174 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -0.013 -14.696 -4.547 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.045 -16.063 -4.833 1.00 0.00 H new ATOM 87 N LEU A 10 1.716 -13.084 -5.271 1.00 0.00 N ATOM 88 CA LEU A 10 2.697 -12.093 -5.699 1.00 0.00 C ATOM 89 C LEU A 10 4.096 -12.470 -5.222 1.00 0.00 C ATOM 90 O LEU A 10 4.315 -12.708 -4.035 1.00 0.00 O ATOM 91 CB LEU A 10 2.320 -10.709 -5.166 1.00 0.00 C ATOM 92 CG LEU A 10 1.325 -9.913 -6.010 1.00 0.00 C ATOM 93 CD1 LEU A 10 0.950 -8.616 -5.311 1.00 0.00 C ATOM 94 CD2 LEU A 10 1.902 -9.630 -7.390 1.00 0.00 C ATOM 0 H LEU A 10 1.119 -12.781 -4.501 1.00 0.00 H new ATOM 0 HA LEU A 10 2.699 -12.068 -6.789 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.904 -10.828 -4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.232 -10.120 -5.064 1.00 0.00 H new ATOM 0 HG LEU A 10 0.422 -10.511 -6.132 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.241 -8.063 -5.927 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.495 -8.841 -4.347 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.845 -8.013 -5.158 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.180 -9.063 -7.977 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.821 -9.053 -7.289 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.119 -10.572 -7.894 1.00 0.00 H new ATOM 106 N SER A 11 5.040 -12.521 -6.157 1.00 0.00 N ATOM 107 CA SER A 11 6.418 -12.871 -5.832 1.00 0.00 C ATOM 108 C SER A 11 6.900 -12.101 -4.606 1.00 0.00 C ATOM 109 O SER A 11 7.727 -12.591 -3.837 1.00 0.00 O ATOM 110 CB SER A 11 7.334 -12.582 -7.023 1.00 0.00 C ATOM 111 OG SER A 11 7.222 -13.592 -8.010 1.00 0.00 O ATOM 0 H SER A 11 4.876 -12.325 -7.144 1.00 0.00 H new ATOM 0 HA SER A 11 6.453 -13.937 -5.606 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.078 -11.615 -7.457 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.367 -12.515 -6.683 1.00 0.00 H new ATOM 0 HG SER A 11 7.816 -13.383 -8.761 1.00 0.00 H new ATOM 117 N LEU A 12 6.377 -10.893 -4.432 1.00 0.00 N ATOM 118 CA LEU A 12 6.753 -10.053 -3.299 1.00 0.00 C ATOM 119 C LEU A 12 6.628 -10.820 -1.987 1.00 0.00 C ATOM 120 O LEU A 12 5.737 -11.652 -1.825 1.00 0.00 O ATOM 121 CB LEU A 12 5.876 -8.800 -3.256 1.00 0.00 C ATOM 122 CG LEU A 12 5.900 -7.920 -4.507 1.00 0.00 C ATOM 123 CD1 LEU A 12 4.581 -7.179 -4.663 1.00 0.00 C ATOM 124 CD2 LEU A 12 7.062 -6.939 -4.447 1.00 0.00 C ATOM 0 H LEU A 12 5.692 -10.473 -5.060 1.00 0.00 H new ATOM 0 HA LEU A 12 7.794 -9.757 -3.427 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.847 -9.108 -3.072 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.184 -8.194 -2.404 1.00 0.00 H new ATOM 0 HG LEU A 12 6.038 -8.562 -5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.616 -6.558 -5.558 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.768 -7.899 -4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.413 -6.548 -3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.063 -6.321 -5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.956 -6.302 -3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.000 -7.490 -4.384 1.00 0.00 H new ATOM 136 N GLY A 13 7.528 -10.532 -1.051 1.00 0.00 N ATOM 137 CA GLY A 13 7.500 -11.202 0.236 1.00 0.00 C ATOM 138 C GLY A 13 6.669 -10.456 1.260 1.00 0.00 C ATOM 139 O GLY A 13 6.117 -9.395 0.967 1.00 0.00 O ATOM 0 H GLY A 13 8.276 -9.847 -1.161 1.00 0.00 H new ATOM 0 HA2 GLY A 13 7.099 -12.208 0.110 1.00 0.00 H new ATOM 0 HA3 GLY A 13 8.519 -11.310 0.608 1.00 0.00 H new ATOM 143 N ASP A 14 6.577 -11.011 2.463 1.00 0.00 N ATOM 144 CA ASP A 14 5.806 -10.391 3.535 1.00 0.00 C ATOM 145 C ASP A 14 6.289 -8.968 3.799 1.00 0.00 C ATOM 146 O ASP A 14 5.552 -8.003 3.595 1.00 0.00 O ATOM 147 CB ASP A 14 5.910 -11.223 4.814 1.00 0.00 C ATOM 148 CG ASP A 14 7.276 -11.860 4.981 1.00 0.00 C ATOM 149 OD1 ASP A 14 7.546 -12.872 4.302 1.00 0.00 O ATOM 150 OD2 ASP A 14 8.074 -11.346 5.793 1.00 0.00 O ATOM 0 H ASP A 14 7.027 -11.889 2.721 1.00 0.00 H new ATOM 0 HA ASP A 14 4.763 -10.349 3.221 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.701 -10.588 5.675 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.148 -12.002 4.800 1.00 0.00 H new ATOM 155 N THR A 15 7.532 -8.845 4.254 1.00 0.00 N ATOM 156 CA THR A 15 8.112 -7.541 4.548 1.00 0.00 C ATOM 157 C THR A 15 7.755 -6.525 3.470 1.00 0.00 C ATOM 158 O THR A 15 7.193 -5.469 3.761 1.00 0.00 O ATOM 159 CB THR A 15 9.646 -7.624 4.671 1.00 0.00 C ATOM 160 OG1 THR A 15 10.006 -8.599 5.656 1.00 0.00 O ATOM 161 CG2 THR A 15 10.232 -6.272 5.051 1.00 0.00 C ATOM 0 H THR A 15 8.156 -9.633 4.427 1.00 0.00 H new ATOM 0 HA THR A 15 7.695 -7.217 5.501 1.00 0.00 H new ATOM 0 HB THR A 15 10.051 -7.919 3.703 1.00 0.00 H new ATOM 0 HG1 THR A 15 10.982 -8.647 5.727 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.316 -6.355 5.132 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.981 -5.538 4.285 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.820 -5.953 6.008 1.00 0.00 H new ATOM 169 N ALA A 16 8.083 -6.850 2.224 1.00 0.00 N ATOM 170 CA ALA A 16 7.793 -5.966 1.102 1.00 0.00 C ATOM 171 C ALA A 16 6.441 -5.283 1.276 1.00 0.00 C ATOM 172 O ALA A 16 6.360 -4.058 1.370 1.00 0.00 O ATOM 173 CB ALA A 16 7.831 -6.743 -0.206 1.00 0.00 C ATOM 0 H ALA A 16 8.550 -7.719 1.966 1.00 0.00 H new ATOM 0 HA ALA A 16 8.560 -5.192 1.074 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.613 -6.070 -1.035 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.821 -7.178 -0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 16 7.086 -7.539 -0.178 1.00 0.00 H new ATOM 179 N LEU A 17 5.381 -6.083 1.317 1.00 0.00 N ATOM 180 CA LEU A 17 4.030 -5.556 1.479 1.00 0.00 C ATOM 181 C LEU A 17 3.952 -4.617 2.678 1.00 0.00 C ATOM 182 O LEU A 17 3.628 -3.439 2.536 1.00 0.00 O ATOM 183 CB LEU A 17 3.031 -6.702 1.648 1.00 0.00 C ATOM 184 CG LEU A 17 2.414 -7.250 0.361 1.00 0.00 C ATOM 185 CD1 LEU A 17 3.357 -8.242 -0.302 1.00 0.00 C ATOM 186 CD2 LEU A 17 1.069 -7.900 0.649 1.00 0.00 C ATOM 0 H LEU A 17 5.431 -7.099 1.240 1.00 0.00 H new ATOM 0 HA LEU A 17 3.777 -4.991 0.582 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.532 -7.521 2.164 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.225 -6.362 2.298 1.00 0.00 H new ATOM 0 HG LEU A 17 2.253 -6.419 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.901 -8.622 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.296 -7.745 -0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.550 -9.071 0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.645 -8.284 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.205 -8.721 1.353 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.392 -7.161 1.079 1.00 0.00 H new ATOM 198 N GLN A 18 4.255 -5.147 3.859 1.00 0.00 N ATOM 199 CA GLN A 18 4.220 -4.355 5.083 1.00 0.00 C ATOM 200 C GLN A 18 4.723 -2.938 4.829 1.00 0.00 C ATOM 201 O GLN A 18 4.137 -1.967 5.305 1.00 0.00 O ATOM 202 CB GLN A 18 5.065 -5.022 6.171 1.00 0.00 C ATOM 203 CG GLN A 18 4.287 -6.010 7.025 1.00 0.00 C ATOM 204 CD GLN A 18 5.041 -6.422 8.273 1.00 0.00 C ATOM 205 OE1 GLN A 18 6.255 -6.627 8.240 1.00 0.00 O ATOM 206 NE2 GLN A 18 4.325 -6.546 9.385 1.00 0.00 N ATOM 0 H GLN A 18 4.527 -6.121 3.994 1.00 0.00 H new ATOM 0 HA GLN A 18 3.185 -4.298 5.420 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.902 -5.540 5.703 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.487 -4.251 6.815 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.334 -5.565 7.311 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.060 -6.897 6.433 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.321 -6.366 9.368 1.00 0.00 H new ATOM 0 HE22 GLN A 18 4.779 -6.821 10.256 1.00 0.00 H new ATOM 215 N ASN A 19 5.813 -2.829 4.076 1.00 0.00 N ATOM 216 CA ASN A 19 6.395 -1.530 3.759 1.00 0.00 C ATOM 217 C ASN A 19 5.510 -0.760 2.784 1.00 0.00 C ATOM 218 O ASN A 19 4.994 0.310 3.109 1.00 0.00 O ATOM 219 CB ASN A 19 7.795 -1.706 3.166 1.00 0.00 C ATOM 220 CG ASN A 19 8.869 -1.786 4.233 1.00 0.00 C ATOM 221 OD1 ASN A 19 8.999 -0.890 5.067 1.00 0.00 O ATOM 222 ND2 ASN A 19 9.646 -2.863 4.210 1.00 0.00 N ATOM 0 H ASN A 19 6.310 -3.624 3.674 1.00 0.00 H new ATOM 0 HA ASN A 19 6.469 -0.958 4.684 1.00 0.00 H new ATOM 0 HB2 ASN A 19 7.819 -2.613 2.561 1.00 0.00 H new ATOM 0 HB3 ASN A 19 8.011 -0.872 2.498 1.00 0.00 H new ATOM 0 HD21 ASN A 19 10.387 -2.972 4.903 1.00 0.00 H new ATOM 0 HD22 ASN A 19 9.502 -3.581 3.500 1.00 0.00 H new ATOM 229 N LEU A 20 5.339 -1.311 1.588 1.00 0.00 N ATOM 230 CA LEU A 20 4.516 -0.677 0.564 1.00 0.00 C ATOM 231 C LEU A 20 3.210 -0.160 1.158 1.00 0.00 C ATOM 232 O LEU A 20 2.694 0.876 0.739 1.00 0.00 O ATOM 233 CB LEU A 20 4.219 -1.666 -0.565 1.00 0.00 C ATOM 234 CG LEU A 20 4.025 -1.060 -1.955 1.00 0.00 C ATOM 235 CD1 LEU A 20 2.718 -0.285 -2.022 1.00 0.00 C ATOM 236 CD2 LEU A 20 5.199 -0.161 -2.313 1.00 0.00 C ATOM 0 H LEU A 20 5.759 -2.196 1.303 1.00 0.00 H new ATOM 0 HA LEU A 20 5.071 0.170 0.160 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.036 -2.385 -0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.319 -2.224 -0.305 1.00 0.00 H new ATOM 0 HG LEU A 20 3.980 -1.872 -2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.597 0.139 -3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.886 -0.956 -1.810 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.733 0.518 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 20 5.044 0.262 -3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.276 0.645 -1.583 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.119 -0.745 -2.307 1.00 0.00 H new ATOM 248 N GLU A 21 2.683 -0.887 2.139 1.00 0.00 N ATOM 249 CA GLU A 21 1.438 -0.500 2.791 1.00 0.00 C ATOM 250 C GLU A 21 1.555 0.893 3.404 1.00 0.00 C ATOM 251 O GLU A 21 0.712 1.758 3.168 1.00 0.00 O ATOM 252 CB GLU A 21 1.067 -1.515 3.874 1.00 0.00 C ATOM 253 CG GLU A 21 0.731 -2.893 3.328 1.00 0.00 C ATOM 254 CD GLU A 21 0.918 -3.990 4.357 1.00 0.00 C ATOM 255 OE1 GLU A 21 0.427 -3.828 5.494 1.00 0.00 O ATOM 256 OE2 GLU A 21 1.555 -5.012 4.026 1.00 0.00 O ATOM 0 H GLU A 21 3.099 -1.746 2.499 1.00 0.00 H new ATOM 0 HA GLU A 21 0.653 -0.481 2.035 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.896 -1.604 4.576 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.213 -1.138 4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.302 -2.899 2.979 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.361 -3.100 2.463 1.00 0.00 H new ATOM 263 N GLN A 22 2.605 1.101 4.191 1.00 0.00 N ATOM 264 CA GLN A 22 2.832 2.388 4.838 1.00 0.00 C ATOM 265 C GLN A 22 3.222 3.450 3.815 1.00 0.00 C ATOM 266 O GLN A 22 2.941 4.635 3.998 1.00 0.00 O ATOM 267 CB GLN A 22 3.924 2.262 5.902 1.00 0.00 C ATOM 268 CG GLN A 22 3.520 1.403 7.089 1.00 0.00 C ATOM 269 CD GLN A 22 2.499 2.083 7.980 1.00 0.00 C ATOM 270 OE1 GLN A 22 2.801 3.073 8.647 1.00 0.00 O ATOM 271 NE2 GLN A 22 1.281 1.554 7.997 1.00 0.00 N ATOM 0 H GLN A 22 3.312 0.395 4.396 1.00 0.00 H new ATOM 0 HA GLN A 22 1.902 2.695 5.317 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.818 1.838 5.445 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.189 3.257 6.258 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.110 0.460 6.728 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.406 1.162 7.676 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.074 0.733 7.429 1.00 0.00 H new ATOM 0 HE22 GLN A 22 0.553 1.969 8.579 1.00 0.00 H new ATOM 280 N LEU A 23 3.871 3.019 2.739 1.00 0.00 N ATOM 281 CA LEU A 23 4.300 3.933 1.687 1.00 0.00 C ATOM 282 C LEU A 23 3.102 4.623 1.043 1.00 0.00 C ATOM 283 O LEU A 23 3.187 5.779 0.626 1.00 0.00 O ATOM 284 CB LEU A 23 5.100 3.178 0.624 1.00 0.00 C ATOM 285 CG LEU A 23 6.546 2.839 0.988 1.00 0.00 C ATOM 286 CD1 LEU A 23 7.151 1.902 -0.047 1.00 0.00 C ATOM 287 CD2 LEU A 23 7.377 4.107 1.112 1.00 0.00 C ATOM 0 H LEU A 23 4.112 2.042 2.572 1.00 0.00 H new ATOM 0 HA LEU A 23 4.935 4.695 2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.577 2.250 0.395 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.106 3.774 -0.289 1.00 0.00 H new ATOM 0 HG LEU A 23 6.548 2.332 1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.180 1.672 0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.571 0.980 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.136 2.382 -1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.403 3.846 1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.368 4.642 0.163 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.956 4.743 1.891 1.00 0.00 H new ATOM 299 N LEU A 24 1.985 3.908 0.966 1.00 0.00 N ATOM 300 CA LEU A 24 0.767 4.452 0.375 1.00 0.00 C ATOM 301 C LEU A 24 -0.108 5.108 1.438 1.00 0.00 C ATOM 302 O LEU A 24 -0.874 6.026 1.146 1.00 0.00 O ATOM 303 CB LEU A 24 -0.016 3.346 -0.336 1.00 0.00 C ATOM 304 CG LEU A 24 0.515 2.922 -1.706 1.00 0.00 C ATOM 305 CD1 LEU A 24 -0.146 1.629 -2.157 1.00 0.00 C ATOM 306 CD2 LEU A 24 0.290 4.025 -2.730 1.00 0.00 C ATOM 0 H LEU A 24 1.897 2.950 1.305 1.00 0.00 H new ATOM 0 HA LEU A 24 1.053 5.212 -0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.036 2.469 0.311 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.047 3.678 -0.455 1.00 0.00 H new ATOM 0 HG LEU A 24 1.587 2.747 -1.621 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.244 1.342 -3.134 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.067 0.840 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.224 1.776 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.674 3.706 -3.699 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.777 4.232 -2.813 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.812 4.928 -2.413 1.00 0.00 H new ATOM 318 N ASP A 25 0.012 4.631 2.672 1.00 0.00 N ATOM 319 CA ASP A 25 -0.766 5.173 3.780 1.00 0.00 C ATOM 320 C ASP A 25 0.085 6.107 4.636 1.00 0.00 C ATOM 321 O ASP A 25 1.031 5.674 5.292 1.00 0.00 O ATOM 322 CB ASP A 25 -1.326 4.040 4.641 1.00 0.00 C ATOM 323 CG ASP A 25 -2.465 4.497 5.531 1.00 0.00 C ATOM 324 OD1 ASP A 25 -3.251 5.362 5.092 1.00 0.00 O ATOM 325 OD2 ASP A 25 -2.570 3.990 6.667 1.00 0.00 O ATOM 0 H ASP A 25 0.640 3.870 2.930 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.595 5.745 3.364 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.675 3.235 3.994 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.528 3.629 5.259 1.00 0.00 H new ATOM 330 N GLY A 26 -0.259 7.391 4.623 1.00 0.00 N ATOM 331 CA GLY A 26 0.484 8.365 5.401 1.00 0.00 C ATOM 332 C GLY A 26 0.452 9.748 4.781 1.00 0.00 C ATOM 333 O GLY A 26 0.292 9.905 3.570 1.00 0.00 O ATOM 0 H GLY A 26 -1.038 7.774 4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.071 8.412 6.409 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.519 8.037 5.496 1.00 0.00 H new ATOM 337 N PRO A 27 0.606 10.782 5.621 1.00 0.00 N ATOM 338 CA PRO A 27 0.597 12.177 5.171 1.00 0.00 C ATOM 339 C PRO A 27 1.835 12.530 4.354 1.00 0.00 C ATOM 340 O PRO A 27 1.762 13.313 3.408 1.00 0.00 O ATOM 341 CB PRO A 27 0.575 12.972 6.479 1.00 0.00 C ATOM 342 CG PRO A 27 1.190 12.062 7.486 1.00 0.00 C ATOM 343 CD PRO A 27 0.802 10.668 7.076 1.00 0.00 C ATOM 0 HA PRO A 27 -0.247 12.388 4.514 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.139 13.900 6.388 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.442 13.244 6.760 1.00 0.00 H new ATOM 0 HG2 PRO A 27 2.274 12.176 7.504 1.00 0.00 H new ATOM 0 HG3 PRO A 27 0.829 12.289 8.489 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.581 9.946 7.321 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -0.107 10.340 7.579 1.00 0.00 H new ATOM 351 N GLU A 28 2.971 11.947 4.726 1.00 0.00 N ATOM 352 CA GLU A 28 4.225 12.202 4.027 1.00 0.00 C ATOM 353 C GLU A 28 4.227 11.536 2.654 1.00 0.00 C ATOM 354 O GLU A 28 4.849 12.030 1.714 1.00 0.00 O ATOM 355 CB GLU A 28 5.408 11.695 4.854 1.00 0.00 C ATOM 356 CG GLU A 28 6.693 12.471 4.617 1.00 0.00 C ATOM 357 CD GLU A 28 6.710 13.805 5.337 1.00 0.00 C ATOM 358 OE1 GLU A 28 5.623 14.385 5.540 1.00 0.00 O ATOM 359 OE2 GLU A 28 7.812 14.270 5.698 1.00 0.00 O ATOM 0 H GLU A 28 3.048 11.295 5.507 1.00 0.00 H new ATOM 0 HA GLU A 28 4.323 13.279 3.890 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.151 11.749 5.912 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.580 10.644 4.621 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.541 11.872 4.949 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.820 12.638 3.547 1.00 0.00 H new ATOM 366 N ALA A 29 3.527 10.412 2.548 1.00 0.00 N ATOM 367 CA ALA A 29 3.447 9.678 1.290 1.00 0.00 C ATOM 368 C ALA A 29 3.103 10.609 0.133 1.00 0.00 C ATOM 369 O ALA A 29 1.941 10.960 -0.068 1.00 0.00 O ATOM 370 CB ALA A 29 2.419 8.561 1.396 1.00 0.00 C ATOM 0 H ALA A 29 3.007 9.989 3.317 1.00 0.00 H new ATOM 0 HA ALA A 29 4.425 9.239 1.090 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.369 8.021 0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.709 7.874 2.191 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.441 8.987 1.623 1.00 0.00 H new ATOM 376 N GLN A 30 4.121 11.005 -0.625 1.00 0.00 N ATOM 377 CA GLN A 30 3.925 11.896 -1.762 1.00 0.00 C ATOM 378 C GLN A 30 2.653 11.536 -2.523 1.00 0.00 C ATOM 379 O GLN A 30 1.984 12.405 -3.080 1.00 0.00 O ATOM 380 CB GLN A 30 5.131 11.833 -2.700 1.00 0.00 C ATOM 381 CG GLN A 30 5.435 10.432 -3.207 1.00 0.00 C ATOM 382 CD GLN A 30 6.889 10.255 -3.597 1.00 0.00 C ATOM 383 OE1 GLN A 30 7.501 11.151 -4.178 1.00 0.00 O ATOM 384 NE2 GLN A 30 7.450 9.094 -3.278 1.00 0.00 N ATOM 0 H GLN A 30 5.089 10.723 -0.472 1.00 0.00 H new ATOM 0 HA GLN A 30 3.823 12.912 -1.382 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.952 12.488 -3.553 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.007 12.220 -2.179 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.179 9.707 -2.435 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.803 10.216 -4.068 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.905 8.379 -2.796 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.426 8.917 -3.515 1.00 0.00 H new ATOM 393 N GLY A 31 2.326 10.248 -2.543 1.00 0.00 N ATOM 394 CA GLY A 31 1.136 9.795 -3.240 1.00 0.00 C ATOM 395 C GLY A 31 0.086 9.244 -2.295 1.00 0.00 C ATOM 396 O GLY A 31 -0.099 9.759 -1.193 1.00 0.00 O ATOM 0 H GLY A 31 2.864 9.510 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.712 10.625 -3.806 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.412 9.025 -3.961 1.00 0.00 H new ATOM 400 N SER A 32 -0.605 8.194 -2.729 1.00 0.00 N ATOM 401 CA SER A 32 -1.646 7.576 -1.916 1.00 0.00 C ATOM 402 C SER A 32 -2.125 6.272 -2.547 1.00 0.00 C ATOM 403 O SER A 32 -1.653 5.876 -3.612 1.00 0.00 O ATOM 404 CB SER A 32 -2.825 8.536 -1.744 1.00 0.00 C ATOM 405 OG SER A 32 -3.806 7.989 -0.880 1.00 0.00 O ATOM 0 H SER A 32 -0.463 7.754 -3.638 1.00 0.00 H new ATOM 0 HA SER A 32 -1.223 7.352 -0.937 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.470 9.485 -1.342 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.270 8.749 -2.716 1.00 0.00 H new ATOM 0 HG SER A 32 -4.548 8.622 -0.785 1.00 0.00 H new ATOM 411 N TRP A 33 -3.065 5.611 -1.881 1.00 0.00 N ATOM 412 CA TRP A 33 -3.609 4.352 -2.376 1.00 0.00 C ATOM 413 C TRP A 33 -4.855 4.591 -3.221 1.00 0.00 C ATOM 414 O TRP A 33 -4.992 4.039 -4.312 1.00 0.00 O ATOM 415 CB TRP A 33 -3.940 3.422 -1.208 1.00 0.00 C ATOM 416 CG TRP A 33 -4.907 4.018 -0.230 1.00 0.00 C ATOM 417 CD1 TRP A 33 -4.610 4.840 0.819 1.00 0.00 C ATOM 418 CD2 TRP A 33 -6.327 3.836 -0.210 1.00 0.00 C ATOM 419 NE1 TRP A 33 -5.759 5.180 1.491 1.00 0.00 N ATOM 420 CE2 TRP A 33 -6.827 4.578 0.879 1.00 0.00 C ATOM 421 CE3 TRP A 33 -7.226 3.121 -1.006 1.00 0.00 C ATOM 422 CZ2 TRP A 33 -8.183 4.623 1.189 1.00 0.00 C ATOM 423 CZ3 TRP A 33 -8.572 3.166 -0.697 1.00 0.00 C ATOM 424 CH2 TRP A 33 -9.040 3.913 0.392 1.00 0.00 C ATOM 0 H TRP A 33 -3.466 5.926 -0.998 1.00 0.00 H new ATOM 0 HA TRP A 33 -2.853 3.881 -3.004 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -4.356 2.493 -1.599 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -3.019 3.164 -0.686 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -3.617 5.174 1.082 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -5.809 5.783 2.312 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -6.875 2.543 -1.848 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -8.546 5.198 2.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -9.275 2.616 -1.305 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -10.098 3.929 0.607 1.00 0.00 H new ATOM 435 N ALA A 34 -5.762 5.417 -2.709 1.00 0.00 N ATOM 436 CA ALA A 34 -6.996 5.731 -3.418 1.00 0.00 C ATOM 437 C ALA A 34 -6.724 6.031 -4.888 1.00 0.00 C ATOM 438 O ALA A 34 -7.494 5.639 -5.764 1.00 0.00 O ATOM 439 CB ALA A 34 -7.699 6.909 -2.759 1.00 0.00 C ATOM 0 H ALA A 34 -5.665 5.881 -1.806 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.647 4.858 -3.366 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.619 7.132 -3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.937 6.659 -1.725 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.045 7.781 -2.780 1.00 0.00 H new ATOM 445 N GLU A 35 -5.623 6.728 -5.151 1.00 0.00 N ATOM 446 CA GLU A 35 -5.251 7.081 -6.516 1.00 0.00 C ATOM 447 C GLU A 35 -4.663 5.878 -7.248 1.00 0.00 C ATOM 448 O GLU A 35 -5.213 5.417 -8.249 1.00 0.00 O ATOM 449 CB GLU A 35 -4.242 8.232 -6.512 1.00 0.00 C ATOM 450 CG GLU A 35 -4.056 8.883 -7.872 1.00 0.00 C ATOM 451 CD GLU A 35 -3.635 10.336 -7.771 1.00 0.00 C ATOM 452 OE1 GLU A 35 -4.516 11.195 -7.556 1.00 0.00 O ATOM 453 OE2 GLU A 35 -2.426 10.615 -7.907 1.00 0.00 O ATOM 0 H GLU A 35 -4.974 7.059 -4.437 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.152 7.399 -7.040 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.569 8.988 -5.798 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.279 7.859 -6.162 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.305 8.330 -8.436 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.988 8.817 -8.433 1.00 0.00 H new ATOM 460 N LEU A 36 -3.542 5.375 -6.743 1.00 0.00 N ATOM 461 CA LEU A 36 -2.878 4.226 -7.348 1.00 0.00 C ATOM 462 C LEU A 36 -3.897 3.183 -7.797 1.00 0.00 C ATOM 463 O LEU A 36 -3.796 2.634 -8.894 1.00 0.00 O ATOM 464 CB LEU A 36 -1.894 3.601 -6.358 1.00 0.00 C ATOM 465 CG LEU A 36 -1.547 2.130 -6.593 1.00 0.00 C ATOM 466 CD1 LEU A 36 -0.688 1.978 -7.839 1.00 0.00 C ATOM 467 CD2 LEU A 36 -0.838 1.549 -5.379 1.00 0.00 C ATOM 0 H LEU A 36 -3.074 5.745 -5.916 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.331 4.573 -8.224 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.970 4.179 -6.381 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.307 3.700 -5.354 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.474 1.577 -6.746 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.451 0.925 -7.991 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.232 2.356 -8.704 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.235 2.544 -7.716 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.599 0.502 -5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.082 2.104 -5.194 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.488 1.624 -4.507 1.00 0.00 H new ATOM 479 N ALA A 37 -4.878 2.915 -6.941 1.00 0.00 N ATOM 480 CA ALA A 37 -5.918 1.941 -7.252 1.00 0.00 C ATOM 481 C ALA A 37 -6.550 2.227 -8.610 1.00 0.00 C ATOM 482 O ALA A 37 -6.650 1.340 -9.456 1.00 0.00 O ATOM 483 CB ALA A 37 -6.980 1.939 -6.163 1.00 0.00 C ATOM 0 H ALA A 37 -4.974 3.358 -6.027 1.00 0.00 H new ATOM 0 HA ALA A 37 -5.457 0.955 -7.297 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.750 1.208 -6.407 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.522 1.679 -5.209 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.430 2.929 -6.091 1.00 0.00 H new ATOM 489 N GLU A 38 -6.976 3.470 -8.809 1.00 0.00 N ATOM 490 CA GLU A 38 -7.600 3.871 -10.065 1.00 0.00 C ATOM 491 C GLU A 38 -6.750 3.440 -11.257 1.00 0.00 C ATOM 492 O GLU A 38 -7.235 2.768 -12.167 1.00 0.00 O ATOM 493 CB GLU A 38 -7.810 5.386 -10.095 1.00 0.00 C ATOM 494 CG GLU A 38 -8.563 5.921 -8.888 1.00 0.00 C ATOM 495 CD GLU A 38 -8.945 7.381 -9.038 1.00 0.00 C ATOM 496 OE1 GLU A 38 -8.032 8.219 -9.193 1.00 0.00 O ATOM 497 OE2 GLU A 38 -10.155 7.684 -9.001 1.00 0.00 O ATOM 0 H GLU A 38 -6.901 4.216 -8.118 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.569 3.376 -10.134 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.839 5.878 -10.154 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.357 5.651 -11.000 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.464 5.328 -8.735 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.946 5.800 -7.997 1.00 0.00 H new ATOM 504 N ARG A 39 -5.481 3.834 -11.244 1.00 0.00 N ATOM 505 CA ARG A 39 -4.564 3.490 -12.323 1.00 0.00 C ATOM 506 C ARG A 39 -4.501 1.979 -12.524 1.00 0.00 C ATOM 507 O ARG A 39 -4.206 1.499 -13.619 1.00 0.00 O ATOM 508 CB ARG A 39 -3.165 4.035 -12.026 1.00 0.00 C ATOM 509 CG ARG A 39 -2.972 5.482 -12.449 1.00 0.00 C ATOM 510 CD ARG A 39 -1.935 6.181 -11.584 1.00 0.00 C ATOM 511 NE ARG A 39 -2.151 7.624 -11.530 1.00 0.00 N ATOM 512 CZ ARG A 39 -3.236 8.186 -11.008 1.00 0.00 C ATOM 513 NH1 ARG A 39 -4.198 7.429 -10.498 1.00 0.00 N ATOM 514 NH2 ARG A 39 -3.359 9.507 -10.995 1.00 0.00 N ATOM 0 H ARG A 39 -5.065 4.392 -10.498 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.937 3.945 -13.241 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -2.970 3.949 -10.957 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.427 3.415 -12.535 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.661 5.519 -13.493 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.922 6.012 -12.380 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.969 5.771 -10.575 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.939 5.978 -11.977 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.429 8.234 -11.914 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.106 6.413 -10.506 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.030 7.863 -10.098 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.620 10.092 -11.386 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.192 9.938 -10.594 1.00 0.00 H new ATOM 528 N LEU A 40 -4.780 1.234 -11.460 1.00 0.00 N ATOM 529 CA LEU A 40 -4.755 -0.223 -11.518 1.00 0.00 C ATOM 530 C LEU A 40 -6.081 -0.770 -12.037 1.00 0.00 C ATOM 531 O LEU A 40 -6.125 -1.829 -12.661 1.00 0.00 O ATOM 532 CB LEU A 40 -4.457 -0.803 -10.134 1.00 0.00 C ATOM 533 CG LEU A 40 -3.071 -0.502 -9.564 1.00 0.00 C ATOM 534 CD1 LEU A 40 -2.924 -1.100 -8.173 1.00 0.00 C ATOM 535 CD2 LEU A 40 -1.987 -1.032 -10.491 1.00 0.00 C ATOM 0 H LEU A 40 -5.026 1.615 -10.547 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.965 -0.521 -12.208 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.205 -0.426 -9.436 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.581 -1.885 -10.181 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.958 0.579 -9.486 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.931 -0.875 -7.784 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.678 -0.673 -7.512 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.057 -2.181 -8.226 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.007 -0.809 -10.070 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.098 -2.111 -10.601 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.079 -0.556 -11.468 1.00 0.00 H new ATOM 547 N GLY A 41 -7.160 -0.039 -11.775 1.00 0.00 N ATOM 548 CA GLY A 41 -8.472 -0.465 -12.225 1.00 0.00 C ATOM 549 C GLY A 41 -9.351 -0.937 -11.083 1.00 0.00 C ATOM 550 O GLY A 41 -10.229 -1.780 -11.273 1.00 0.00 O ATOM 0 H GLY A 41 -7.149 0.841 -11.259 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.962 0.361 -12.739 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.360 -1.271 -12.951 1.00 0.00 H new ATOM 554 N LEU A 42 -9.115 -0.395 -9.894 1.00 0.00 N ATOM 555 CA LEU A 42 -9.891 -0.766 -8.716 1.00 0.00 C ATOM 556 C LEU A 42 -10.516 0.464 -8.065 1.00 0.00 C ATOM 557 O LEU A 42 -10.816 0.462 -6.871 1.00 0.00 O ATOM 558 CB LEU A 42 -9.004 -1.497 -7.706 1.00 0.00 C ATOM 559 CG LEU A 42 -8.159 -2.643 -8.262 1.00 0.00 C ATOM 560 CD1 LEU A 42 -6.887 -2.813 -7.445 1.00 0.00 C ATOM 561 CD2 LEU A 42 -8.960 -3.937 -8.280 1.00 0.00 C ATOM 0 H LEU A 42 -8.392 0.303 -9.720 1.00 0.00 H new ATOM 0 HA LEU A 42 -10.693 -1.432 -9.035 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.336 -0.769 -7.246 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.639 -1.892 -6.913 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.879 -2.398 -9.287 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.298 -3.633 -7.855 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.304 -1.893 -7.484 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.146 -3.035 -6.410 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.342 -4.742 -8.679 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.271 -4.187 -7.265 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.841 -3.811 -8.909 1.00 0.00 H new ATOM 573 N ARG A 43 -10.711 1.512 -8.859 1.00 0.00 N ATOM 574 CA ARG A 43 -11.301 2.748 -8.360 1.00 0.00 C ATOM 575 C ARG A 43 -12.657 2.482 -7.714 1.00 0.00 C ATOM 576 O ARG A 43 -13.065 3.184 -6.789 1.00 0.00 O ATOM 577 CB ARG A 43 -11.455 3.760 -9.497 1.00 0.00 C ATOM 578 CG ARG A 43 -12.438 3.323 -10.571 1.00 0.00 C ATOM 579 CD ARG A 43 -12.251 4.119 -11.854 1.00 0.00 C ATOM 580 NE ARG A 43 -12.651 3.357 -13.034 1.00 0.00 N ATOM 581 CZ ARG A 43 -13.915 3.185 -13.404 1.00 0.00 C ATOM 582 NH1 ARG A 43 -14.897 3.719 -12.690 1.00 0.00 N ATOM 583 NH2 ARG A 43 -14.200 2.479 -14.491 1.00 0.00 N ATOM 0 H ARG A 43 -10.469 1.530 -9.850 1.00 0.00 H new ATOM 0 HA ARG A 43 -10.633 3.160 -7.604 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.783 4.713 -9.082 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -10.481 3.930 -9.955 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -12.305 2.261 -10.778 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -13.457 3.451 -10.207 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.836 5.037 -11.800 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.206 4.413 -11.949 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.920 2.934 -13.605 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -14.682 4.263 -11.855 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -15.867 3.585 -12.976 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -13.448 2.068 -15.044 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -15.171 2.348 -14.774 1.00 0.00 H new ATOM 597 N SER A 44 -13.353 1.463 -8.210 1.00 0.00 N ATOM 598 CA SER A 44 -14.665 1.106 -7.685 1.00 0.00 C ATOM 599 C SER A 44 -14.536 0.359 -6.361 1.00 0.00 C ATOM 600 O SER A 44 -15.328 0.562 -5.439 1.00 0.00 O ATOM 601 CB SER A 44 -15.426 0.247 -8.696 1.00 0.00 C ATOM 602 OG SER A 44 -16.815 0.239 -8.416 1.00 0.00 O ATOM 0 H SER A 44 -13.029 0.871 -8.975 1.00 0.00 H new ATOM 0 HA SER A 44 -15.221 2.027 -7.510 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.257 0.629 -9.703 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.042 -0.773 -8.674 1.00 0.00 H new ATOM 0 HG SER A 44 -17.279 -0.316 -9.077 1.00 0.00 H new ATOM 608 N LEU A 45 -13.532 -0.507 -6.273 1.00 0.00 N ATOM 609 CA LEU A 45 -13.297 -1.286 -5.062 1.00 0.00 C ATOM 610 C LEU A 45 -12.692 -0.417 -3.964 1.00 0.00 C ATOM 611 O LEU A 45 -12.617 -0.825 -2.805 1.00 0.00 O ATOM 612 CB LEU A 45 -12.370 -2.465 -5.363 1.00 0.00 C ATOM 613 CG LEU A 45 -13.040 -3.717 -5.930 1.00 0.00 C ATOM 614 CD1 LEU A 45 -12.001 -4.781 -6.249 1.00 0.00 C ATOM 615 CD2 LEU A 45 -14.076 -4.257 -4.955 1.00 0.00 C ATOM 0 H LEU A 45 -12.868 -0.687 -7.026 1.00 0.00 H new ATOM 0 HA LEU A 45 -14.257 -1.666 -4.712 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -11.610 -2.132 -6.070 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.853 -2.739 -4.443 1.00 0.00 H new ATOM 0 HG LEU A 45 -13.548 -3.445 -6.855 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.497 -5.664 -6.651 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.297 -4.393 -6.985 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -11.464 -5.049 -5.339 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -14.542 -5.148 -5.376 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -13.591 -4.512 -4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -14.838 -3.498 -4.777 1.00 0.00 H new ATOM 627 N VAL A 46 -12.263 0.785 -4.337 1.00 0.00 N ATOM 628 CA VAL A 46 -11.668 1.714 -3.383 1.00 0.00 C ATOM 629 C VAL A 46 -12.395 1.668 -2.044 1.00 0.00 C ATOM 630 O VAL A 46 -11.818 1.980 -1.002 1.00 0.00 O ATOM 631 CB VAL A 46 -11.691 3.158 -3.918 1.00 0.00 C ATOM 632 CG1 VAL A 46 -11.347 4.143 -2.811 1.00 0.00 C ATOM 633 CG2 VAL A 46 -10.734 3.307 -5.091 1.00 0.00 C ATOM 0 H VAL A 46 -12.316 1.138 -5.292 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.633 1.403 -3.241 1.00 0.00 H new ATOM 0 HB VAL A 46 -12.698 3.380 -4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -11.368 5.158 -3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -12.075 4.053 -2.005 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.351 3.925 -2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.763 4.334 -5.456 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.721 3.066 -4.767 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -11.031 2.629 -5.891 1.00 0.00 H new ATOM 643 N ASP A 47 -13.664 1.276 -2.080 1.00 0.00 N ATOM 644 CA ASP A 47 -14.470 1.187 -0.868 1.00 0.00 C ATOM 645 C ASP A 47 -14.093 -0.046 -0.053 1.00 0.00 C ATOM 646 O ASP A 47 -13.761 0.054 1.129 1.00 0.00 O ATOM 647 CB ASP A 47 -15.958 1.144 -1.222 1.00 0.00 C ATOM 648 CG ASP A 47 -16.459 2.463 -1.776 1.00 0.00 C ATOM 649 OD1 ASP A 47 -16.205 3.507 -1.141 1.00 0.00 O ATOM 650 OD2 ASP A 47 -17.107 2.450 -2.844 1.00 0.00 O ATOM 0 H ASP A 47 -14.156 1.015 -2.934 1.00 0.00 H new ATOM 0 HA ASP A 47 -14.273 2.073 -0.265 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.132 0.356 -1.955 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -16.533 0.885 -0.333 1.00 0.00 H new ATOM 655 N THR A 48 -14.146 -1.211 -0.692 1.00 0.00 N ATOM 656 CA THR A 48 -13.813 -2.464 -0.027 1.00 0.00 C ATOM 657 C THR A 48 -12.662 -2.275 0.956 1.00 0.00 C ATOM 658 O THR A 48 -12.622 -2.912 2.009 1.00 0.00 O ATOM 659 CB THR A 48 -13.430 -3.556 -1.044 1.00 0.00 C ATOM 660 OG1 THR A 48 -13.679 -4.852 -0.488 1.00 0.00 O ATOM 661 CG2 THR A 48 -11.965 -3.440 -1.437 1.00 0.00 C ATOM 0 H THR A 48 -14.417 -1.312 -1.670 1.00 0.00 H new ATOM 0 HA THR A 48 -14.704 -2.780 0.516 1.00 0.00 H new ATOM 0 HB THR A 48 -14.041 -3.421 -1.937 1.00 0.00 H new ATOM 0 HG1 THR A 48 -13.434 -5.541 -1.141 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.718 -4.221 -2.156 1.00 0.00 H new ATOM 0 HG22 THR A 48 -11.785 -2.463 -1.887 1.00 0.00 H new ATOM 0 HG23 THR A 48 -11.341 -3.552 -0.551 1.00 0.00 H new ATOM 669 N TYR A 49 -11.729 -1.397 0.605 1.00 0.00 N ATOM 670 CA TYR A 49 -10.576 -1.126 1.456 1.00 0.00 C ATOM 671 C TYR A 49 -10.965 -0.235 2.631 1.00 0.00 C ATOM 672 O TYR A 49 -10.559 -0.476 3.768 1.00 0.00 O ATOM 673 CB TYR A 49 -9.462 -0.463 0.644 1.00 0.00 C ATOM 674 CG TYR A 49 -9.198 -1.136 -0.684 1.00 0.00 C ATOM 675 CD1 TYR A 49 -9.175 -2.521 -0.791 1.00 0.00 C ATOM 676 CD2 TYR A 49 -8.970 -0.386 -1.831 1.00 0.00 C ATOM 677 CE1 TYR A 49 -8.933 -3.140 -2.002 1.00 0.00 C ATOM 678 CE2 TYR A 49 -8.729 -0.997 -3.047 1.00 0.00 C ATOM 679 CZ TYR A 49 -8.711 -2.373 -3.127 1.00 0.00 C ATOM 680 OH TYR A 49 -8.470 -2.985 -4.336 1.00 0.00 O ATOM 0 H TYR A 49 -11.748 -0.861 -0.263 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.214 -2.076 1.849 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.724 0.580 0.467 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.544 -0.466 1.232 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.349 -3.124 0.088 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -8.981 0.692 -1.771 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.918 -4.218 -2.068 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.556 -0.400 -3.930 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.999 -3.831 -4.186 1.00 0.00 H new ATOM 690 N ARG A 50 -11.753 0.797 2.348 1.00 0.00 N ATOM 691 CA ARG A 50 -12.197 1.726 3.380 1.00 0.00 C ATOM 692 C ARG A 50 -12.877 0.981 4.526 1.00 0.00 C ATOM 693 O ARG A 50 -12.724 1.345 5.692 1.00 0.00 O ATOM 694 CB ARG A 50 -13.157 2.759 2.788 1.00 0.00 C ATOM 695 CG ARG A 50 -13.367 3.974 3.677 1.00 0.00 C ATOM 696 CD ARG A 50 -14.391 4.929 3.082 1.00 0.00 C ATOM 697 NE ARG A 50 -14.364 6.236 3.734 1.00 0.00 N ATOM 698 CZ ARG A 50 -15.190 7.229 3.423 1.00 0.00 C ATOM 699 NH1 ARG A 50 -16.102 7.065 2.475 1.00 0.00 N ATOM 700 NH2 ARG A 50 -15.104 8.389 4.061 1.00 0.00 N ATOM 0 H ARG A 50 -12.097 1.011 1.412 1.00 0.00 H new ATOM 0 HA ARG A 50 -11.320 2.240 3.773 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.773 3.088 1.822 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -14.120 2.284 2.603 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -13.699 3.651 4.664 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.419 4.494 3.814 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.196 5.051 2.017 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -15.387 4.497 3.177 1.00 0.00 H new ATOM 0 HE ARG A 50 -13.674 6.395 4.468 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.171 6.175 1.982 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.735 7.829 2.238 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -14.403 8.519 4.791 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -15.738 9.151 3.822 1.00 0.00 H new ATOM 714 N GLN A 51 -13.627 -0.061 4.184 1.00 0.00 N ATOM 715 CA GLN A 51 -14.331 -0.855 5.184 1.00 0.00 C ATOM 716 C GLN A 51 -13.349 -1.503 6.155 1.00 0.00 C ATOM 717 O GLN A 51 -13.351 -1.204 7.349 1.00 0.00 O ATOM 718 CB GLN A 51 -15.181 -1.931 4.506 1.00 0.00 C ATOM 719 CG GLN A 51 -16.581 -1.462 4.144 1.00 0.00 C ATOM 720 CD GLN A 51 -16.577 -0.171 3.349 1.00 0.00 C ATOM 721 OE1 GLN A 51 -16.362 0.910 3.898 1.00 0.00 O ATOM 722 NE2 GLN A 51 -16.815 -0.277 2.047 1.00 0.00 N ATOM 0 H GLN A 51 -13.763 -0.375 3.223 1.00 0.00 H new ATOM 0 HA GLN A 51 -14.984 -0.188 5.747 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.674 -2.266 3.601 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -15.256 -2.794 5.168 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -17.082 -2.239 3.566 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -17.160 -1.320 5.057 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -16.988 -1.193 1.633 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -16.825 0.558 1.461 1.00 0.00 H new ATOM 731 N THR A 52 -12.511 -2.394 5.634 1.00 0.00 N ATOM 732 CA THR A 52 -11.524 -3.085 6.454 1.00 0.00 C ATOM 733 C THR A 52 -10.497 -2.110 7.018 1.00 0.00 C ATOM 734 O THR A 52 -10.314 -1.012 6.493 1.00 0.00 O ATOM 735 CB THR A 52 -10.792 -4.177 5.651 1.00 0.00 C ATOM 736 OG1 THR A 52 -10.169 -5.107 6.544 1.00 0.00 O ATOM 737 CG2 THR A 52 -9.743 -3.563 4.736 1.00 0.00 C ATOM 0 H THR A 52 -12.496 -2.654 4.648 1.00 0.00 H new ATOM 0 HA THR A 52 -12.067 -3.551 7.276 1.00 0.00 H new ATOM 0 HB THR A 52 -11.525 -4.700 5.037 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.707 -5.799 6.026 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.239 -4.353 4.179 1.00 0.00 H new ATOM 0 HG22 THR A 52 -10.225 -2.878 4.039 1.00 0.00 H new ATOM 0 HG23 THR A 52 -9.013 -3.018 5.334 1.00 0.00 H new ATOM 745 N THR A 53 -9.827 -2.519 8.092 1.00 0.00 N ATOM 746 CA THR A 53 -8.818 -1.681 8.727 1.00 0.00 C ATOM 747 C THR A 53 -7.477 -1.796 8.012 1.00 0.00 C ATOM 748 O THR A 53 -6.550 -1.034 8.284 1.00 0.00 O ATOM 749 CB THR A 53 -8.630 -2.055 10.210 1.00 0.00 C ATOM 750 OG1 THR A 53 -7.659 -1.194 10.813 1.00 0.00 O ATOM 751 CG2 THR A 53 -8.187 -3.504 10.350 1.00 0.00 C ATOM 0 H THR A 53 -9.965 -3.425 8.539 1.00 0.00 H new ATOM 0 HA THR A 53 -9.174 -0.653 8.661 1.00 0.00 H new ATOM 0 HB THR A 53 -9.587 -1.933 10.717 1.00 0.00 H new ATOM 0 HG1 THR A 53 -7.063 -0.838 10.121 1.00 0.00 H new ATOM 0 HG21 THR A 53 -8.061 -3.745 11.405 1.00 0.00 H new ATOM 0 HG22 THR A 53 -8.942 -4.159 9.916 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.240 -3.647 9.829 1.00 0.00 H new ATOM 759 N SER A 54 -7.382 -2.754 7.095 1.00 0.00 N ATOM 760 CA SER A 54 -6.152 -2.971 6.342 1.00 0.00 C ATOM 761 C SER A 54 -6.362 -2.672 4.860 1.00 0.00 C ATOM 762 O SER A 54 -6.243 -3.546 4.002 1.00 0.00 O ATOM 763 CB SER A 54 -5.667 -4.411 6.519 1.00 0.00 C ATOM 764 OG SER A 54 -6.724 -5.333 6.318 1.00 0.00 O ATOM 0 H SER A 54 -8.141 -3.392 6.856 1.00 0.00 H new ATOM 0 HA SER A 54 -5.394 -2.290 6.729 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.862 -4.616 5.813 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.254 -4.539 7.520 1.00 0.00 H new ATOM 0 HG SER A 54 -7.098 -5.211 5.420 1.00 0.00 H new ATOM 770 N PRO A 55 -6.683 -1.406 4.553 1.00 0.00 N ATOM 771 CA PRO A 55 -6.916 -0.961 3.176 1.00 0.00 C ATOM 772 C PRO A 55 -5.636 -0.942 2.348 1.00 0.00 C ATOM 773 O PRO A 55 -5.664 -0.659 1.150 1.00 0.00 O ATOM 774 CB PRO A 55 -7.463 0.458 3.349 1.00 0.00 C ATOM 775 CG PRO A 55 -6.921 0.915 4.660 1.00 0.00 C ATOM 776 CD PRO A 55 -6.841 -0.312 5.525 1.00 0.00 C ATOM 0 HA PRO A 55 -7.590 -1.630 2.640 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.138 1.109 2.538 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.553 0.465 3.347 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -5.939 1.372 4.538 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.569 1.668 5.109 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -5.999 -0.263 6.215 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -7.740 -0.437 6.128 1.00 0.00 H new ATOM 784 N SER A 56 -4.514 -1.245 2.994 1.00 0.00 N ATOM 785 CA SER A 56 -3.223 -1.258 2.317 1.00 0.00 C ATOM 786 C SER A 56 -2.886 -2.660 1.818 1.00 0.00 C ATOM 787 O SER A 56 -2.871 -2.916 0.615 1.00 0.00 O ATOM 788 CB SER A 56 -2.124 -0.763 3.260 1.00 0.00 C ATOM 789 OG SER A 56 -2.242 -1.361 4.539 1.00 0.00 O ATOM 0 H SER A 56 -4.473 -1.485 3.985 1.00 0.00 H new ATOM 0 HA SER A 56 -3.284 -0.590 1.458 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.146 -0.993 2.836 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.183 0.321 3.355 1.00 0.00 H new ATOM 0 HG SER A 56 -1.899 -0.746 5.221 1.00 0.00 H new ATOM 795 N GLY A 57 -2.615 -3.566 2.753 1.00 0.00 N ATOM 796 CA GLY A 57 -2.282 -4.931 2.389 1.00 0.00 C ATOM 797 C GLY A 57 -3.313 -5.554 1.469 1.00 0.00 C ATOM 798 O GLY A 57 -2.974 -6.355 0.598 1.00 0.00 O ATOM 0 H GLY A 57 -2.620 -3.379 3.756 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.308 -4.946 1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.195 -5.534 3.293 1.00 0.00 H new ATOM 802 N SER A 58 -4.575 -5.186 1.663 1.00 0.00 N ATOM 803 CA SER A 58 -5.660 -5.719 0.846 1.00 0.00 C ATOM 804 C SER A 58 -5.597 -5.161 -0.572 1.00 0.00 C ATOM 805 O SER A 58 -5.806 -5.885 -1.547 1.00 0.00 O ATOM 806 CB SER A 58 -7.013 -5.386 1.478 1.00 0.00 C ATOM 807 OG SER A 58 -7.115 -5.930 2.782 1.00 0.00 O ATOM 0 H SER A 58 -4.872 -4.522 2.378 1.00 0.00 H new ATOM 0 HA SER A 58 -5.547 -6.802 0.797 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.141 -4.304 1.521 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.816 -5.778 0.853 1.00 0.00 H new ATOM 0 HG SER A 58 -6.862 -5.250 3.441 1.00 0.00 H new ATOM 813 N LEU A 59 -5.308 -3.869 -0.680 1.00 0.00 N ATOM 814 CA LEU A 59 -5.217 -3.212 -1.980 1.00 0.00 C ATOM 815 C LEU A 59 -4.293 -3.983 -2.917 1.00 0.00 C ATOM 816 O LEU A 59 -4.637 -4.241 -4.071 1.00 0.00 O ATOM 817 CB LEU A 59 -4.711 -1.777 -1.813 1.00 0.00 C ATOM 818 CG LEU A 59 -4.362 -1.035 -3.103 1.00 0.00 C ATOM 819 CD1 LEU A 59 -5.427 -1.275 -4.162 1.00 0.00 C ATOM 820 CD2 LEU A 59 -4.202 0.454 -2.835 1.00 0.00 C ATOM 0 H LEU A 59 -5.133 -3.256 0.116 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.214 -3.191 -2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.471 -1.204 -1.282 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -3.826 -1.797 -1.178 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.414 -1.421 -3.476 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.161 -0.739 -5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.494 -2.342 -4.375 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.390 -0.916 -3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.954 0.966 -3.764 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.135 0.855 -2.438 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -3.403 0.609 -2.110 1.00 0.00 H new ATOM 832 N LEU A 60 -3.120 -4.350 -2.412 1.00 0.00 N ATOM 833 CA LEU A 60 -2.146 -5.095 -3.203 1.00 0.00 C ATOM 834 C LEU A 60 -2.585 -6.545 -3.382 1.00 0.00 C ATOM 835 O LEU A 60 -2.453 -7.114 -4.466 1.00 0.00 O ATOM 836 CB LEU A 60 -0.771 -5.044 -2.535 1.00 0.00 C ATOM 837 CG LEU A 60 -0.167 -3.652 -2.348 1.00 0.00 C ATOM 838 CD1 LEU A 60 0.734 -3.622 -1.123 1.00 0.00 C ATOM 839 CD2 LEU A 60 0.606 -3.234 -3.591 1.00 0.00 C ATOM 0 H LEU A 60 -2.820 -4.144 -1.459 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.082 -4.631 -4.187 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.846 -5.520 -1.557 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.079 -5.642 -3.128 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.980 -2.942 -2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.155 -2.624 -1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.152 -3.877 -0.237 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.541 -4.344 -1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.029 -2.241 -3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.410 -3.946 -3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.067 -3.215 -4.449 1.00 0.00 H new ATOM 851 N ARG A 61 -3.108 -7.135 -2.313 1.00 0.00 N ATOM 852 CA ARG A 61 -3.567 -8.519 -2.352 1.00 0.00 C ATOM 853 C ARG A 61 -4.637 -8.706 -3.423 1.00 0.00 C ATOM 854 O ARG A 61 -4.752 -9.777 -4.019 1.00 0.00 O ATOM 855 CB ARG A 61 -4.118 -8.934 -0.986 1.00 0.00 C ATOM 856 CG ARG A 61 -3.053 -9.446 -0.030 1.00 0.00 C ATOM 857 CD ARG A 61 -2.782 -10.927 -0.238 1.00 0.00 C ATOM 858 NE ARG A 61 -1.857 -11.165 -1.342 1.00 0.00 N ATOM 859 CZ ARG A 61 -0.545 -10.981 -1.254 1.00 0.00 C ATOM 860 NH1 ARG A 61 -0.006 -10.559 -0.118 1.00 0.00 N ATOM 861 NH2 ARG A 61 0.232 -11.219 -2.303 1.00 0.00 N ATOM 0 H ARG A 61 -3.225 -6.677 -1.409 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.715 -9.152 -2.600 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.622 -8.080 -0.532 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -4.870 -9.710 -1.128 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.131 -8.883 -0.175 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.373 -9.275 0.998 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.371 -11.352 0.677 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -3.722 -11.443 -0.435 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.240 -11.491 -2.230 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.600 -10.375 0.691 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.002 -10.418 -0.053 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.178 -11.544 -3.178 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.240 -11.077 -2.234 1.00 0.00 H new ATOM 875 N SER A 62 -5.419 -7.658 -3.661 1.00 0.00 N ATOM 876 CA SER A 62 -6.483 -7.709 -4.657 1.00 0.00 C ATOM 877 C SER A 62 -5.942 -7.387 -6.046 1.00 0.00 C ATOM 878 O SER A 62 -6.413 -7.925 -7.048 1.00 0.00 O ATOM 879 CB SER A 62 -7.599 -6.728 -4.292 1.00 0.00 C ATOM 880 OG SER A 62 -7.103 -5.404 -4.194 1.00 0.00 O ATOM 0 H SER A 62 -5.336 -6.764 -3.178 1.00 0.00 H new ATOM 0 HA SER A 62 -6.888 -8.721 -4.669 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.385 -6.770 -5.046 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.050 -7.022 -3.344 1.00 0.00 H new ATOM 0 HG SER A 62 -6.123 -5.420 -4.208 1.00 0.00 H new ATOM 886 N TYR A 63 -4.950 -6.505 -6.098 1.00 0.00 N ATOM 887 CA TYR A 63 -4.345 -6.108 -7.365 1.00 0.00 C ATOM 888 C TYR A 63 -3.847 -7.327 -8.135 1.00 0.00 C ATOM 889 O TYR A 63 -3.866 -7.346 -9.366 1.00 0.00 O ATOM 890 CB TYR A 63 -3.189 -5.137 -7.120 1.00 0.00 C ATOM 891 CG TYR A 63 -2.285 -4.957 -8.319 1.00 0.00 C ATOM 892 CD1 TYR A 63 -2.806 -4.611 -9.559 1.00 0.00 C ATOM 893 CD2 TYR A 63 -0.912 -5.135 -8.211 1.00 0.00 C ATOM 894 CE1 TYR A 63 -1.984 -4.446 -10.658 1.00 0.00 C ATOM 895 CE2 TYR A 63 -0.082 -4.971 -9.303 1.00 0.00 C ATOM 896 CZ TYR A 63 -0.623 -4.626 -10.525 1.00 0.00 C ATOM 897 OH TYR A 63 0.199 -4.463 -11.615 1.00 0.00 O ATOM 0 H TYR A 63 -4.547 -6.051 -5.278 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.108 -5.610 -7.963 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.595 -4.167 -6.833 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.596 -5.496 -6.279 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -3.871 -4.468 -9.666 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -0.486 -5.406 -7.257 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -2.405 -4.178 -11.616 1.00 0.00 H new ATOM 0 HE2 TYR A 63 0.984 -5.112 -9.201 1.00 0.00 H new ATOM 0 HH TYR A 63 1.085 -4.832 -11.415 1.00 0.00 H new ATOM 907 N GLU A 64 -3.401 -8.341 -7.402 1.00 0.00 N ATOM 908 CA GLU A 64 -2.896 -9.564 -8.016 1.00 0.00 C ATOM 909 C GLU A 64 -4.046 -10.465 -8.458 1.00 0.00 C ATOM 910 O GLU A 64 -3.957 -11.148 -9.479 1.00 0.00 O ATOM 911 CB GLU A 64 -1.991 -10.317 -7.038 1.00 0.00 C ATOM 912 CG GLU A 64 -2.752 -11.173 -6.040 1.00 0.00 C ATOM 913 CD GLU A 64 -1.921 -11.527 -4.823 1.00 0.00 C ATOM 914 OE1 GLU A 64 -1.857 -10.703 -3.887 1.00 0.00 O ATOM 915 OE2 GLU A 64 -1.334 -12.630 -4.806 1.00 0.00 O ATOM 0 H GLU A 64 -3.379 -8.341 -6.382 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.316 -9.286 -8.896 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.309 -10.952 -7.603 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.379 -9.597 -6.494 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.649 -10.642 -5.721 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.081 -12.089 -6.530 1.00 0.00 H new ATOM 922 N LEU A 65 -5.124 -10.462 -7.682 1.00 0.00 N ATOM 923 CA LEU A 65 -6.293 -11.278 -7.992 1.00 0.00 C ATOM 924 C LEU A 65 -6.919 -10.853 -9.316 1.00 0.00 C ATOM 925 O LEU A 65 -7.418 -11.684 -10.074 1.00 0.00 O ATOM 926 CB LEU A 65 -7.326 -11.173 -6.869 1.00 0.00 C ATOM 927 CG LEU A 65 -6.900 -11.732 -5.511 1.00 0.00 C ATOM 928 CD1 LEU A 65 -7.872 -11.296 -4.426 1.00 0.00 C ATOM 929 CD2 LEU A 65 -6.805 -13.250 -5.565 1.00 0.00 C ATOM 0 H LEU A 65 -5.213 -9.903 -6.833 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.968 -12.314 -8.082 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.589 -10.123 -6.741 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -8.231 -11.692 -7.185 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.914 -11.334 -5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.553 -11.703 -3.467 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.891 -10.208 -4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.870 -11.664 -4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.501 -13.630 -4.590 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.777 -13.666 -5.830 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.069 -13.542 -6.314 1.00 0.00 H new ATOM 941 N ALA A 66 -6.887 -9.553 -9.589 1.00 0.00 N ATOM 942 CA ALA A 66 -7.447 -9.017 -10.824 1.00 0.00 C ATOM 943 C ALA A 66 -6.634 -9.462 -12.034 1.00 0.00 C ATOM 944 O ALA A 66 -7.160 -9.578 -13.140 1.00 0.00 O ATOM 945 CB ALA A 66 -7.512 -7.498 -10.758 1.00 0.00 C ATOM 0 H ALA A 66 -6.479 -8.851 -8.972 1.00 0.00 H new ATOM 0 HA ALA A 66 -8.458 -9.408 -10.936 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.932 -7.111 -11.686 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -8.142 -7.197 -9.921 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -6.508 -7.097 -10.619 1.00 0.00 H new ATOM 951 N GLY A 67 -5.345 -9.710 -11.817 1.00 0.00 N ATOM 952 CA GLY A 67 -4.480 -10.138 -12.900 1.00 0.00 C ATOM 953 C GLY A 67 -3.385 -9.134 -13.200 1.00 0.00 C ATOM 954 O GLY A 67 -3.026 -8.923 -14.358 1.00 0.00 O ATOM 0 H GLY A 67 -4.885 -9.622 -10.911 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -4.029 -11.097 -12.643 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.078 -10.297 -13.797 1.00 0.00 H new ATOM 958 N GLY A 68 -2.853 -8.510 -12.153 1.00 0.00 N ATOM 959 CA GLY A 68 -1.800 -7.528 -12.331 1.00 0.00 C ATOM 960 C GLY A 68 -0.445 -8.043 -11.886 1.00 0.00 C ATOM 961 O GLY A 68 -0.360 -8.931 -11.037 1.00 0.00 O ATOM 0 H GLY A 68 -3.133 -8.667 -11.185 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.749 -7.241 -13.381 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.047 -6.629 -11.766 1.00 0.00 H new ATOM 965 N ASP A 69 0.615 -7.487 -12.460 1.00 0.00 N ATOM 966 CA ASP A 69 1.973 -7.896 -12.118 1.00 0.00 C ATOM 967 C ASP A 69 2.794 -6.705 -11.636 1.00 0.00 C ATOM 968 O ASP A 69 2.388 -5.553 -11.793 1.00 0.00 O ATOM 969 CB ASP A 69 2.652 -8.545 -13.325 1.00 0.00 C ATOM 970 CG ASP A 69 2.750 -7.604 -14.510 1.00 0.00 C ATOM 971 OD1 ASP A 69 3.151 -6.438 -14.310 1.00 0.00 O ATOM 972 OD2 ASP A 69 2.425 -8.033 -15.636 1.00 0.00 O ATOM 0 H ASP A 69 0.561 -6.752 -13.165 1.00 0.00 H new ATOM 0 HA ASP A 69 1.914 -8.624 -11.309 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.652 -8.874 -13.042 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.094 -9.435 -13.617 1.00 0.00 H new ATOM 977 N LEU A 70 3.950 -6.990 -11.046 1.00 0.00 N ATOM 978 CA LEU A 70 4.829 -5.942 -10.539 1.00 0.00 C ATOM 979 C LEU A 70 4.908 -4.775 -11.519 1.00 0.00 C ATOM 980 O LEU A 70 4.793 -3.614 -11.128 1.00 0.00 O ATOM 981 CB LEU A 70 6.229 -6.502 -10.283 1.00 0.00 C ATOM 982 CG LEU A 70 7.100 -5.713 -9.305 1.00 0.00 C ATOM 983 CD1 LEU A 70 6.570 -5.853 -7.886 1.00 0.00 C ATOM 984 CD2 LEU A 70 8.546 -6.177 -9.384 1.00 0.00 C ATOM 0 H LEU A 70 4.300 -7.938 -10.907 1.00 0.00 H new ATOM 0 HA LEU A 70 4.413 -5.577 -9.600 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.128 -7.520 -9.908 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.753 -6.564 -11.237 1.00 0.00 H new ATOM 0 HG LEU A 70 7.062 -4.660 -9.583 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.202 -5.285 -7.204 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.550 -5.471 -7.839 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.577 -6.904 -7.597 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.151 -5.604 -8.681 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.603 -7.236 -9.132 1.00 0.00 H new ATOM 0 HD23 LEU A 70 8.923 -6.024 -10.395 1.00 0.00 H new ATOM 996 N ALA A 71 5.101 -5.093 -12.795 1.00 0.00 N ATOM 997 CA ALA A 71 5.191 -4.073 -13.832 1.00 0.00 C ATOM 998 C ALA A 71 3.975 -3.153 -13.803 1.00 0.00 C ATOM 999 O ALA A 71 4.109 -1.930 -13.792 1.00 0.00 O ATOM 1000 CB ALA A 71 5.332 -4.722 -15.201 1.00 0.00 C ATOM 0 H ALA A 71 5.198 -6.050 -13.135 1.00 0.00 H new ATOM 0 HA ALA A 71 6.077 -3.468 -13.637 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.398 -3.948 -15.966 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.235 -5.332 -15.223 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.464 -5.352 -15.396 1.00 0.00 H new ATOM 1006 N GLY A 72 2.787 -3.750 -13.791 1.00 0.00 N ATOM 1007 CA GLY A 72 1.564 -2.969 -13.765 1.00 0.00 C ATOM 1008 C GLY A 72 1.505 -2.024 -12.581 1.00 0.00 C ATOM 1009 O GLY A 72 0.850 -0.983 -12.640 1.00 0.00 O ATOM 0 H GLY A 72 2.650 -4.761 -13.799 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.483 -2.395 -14.688 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.707 -3.642 -13.732 1.00 0.00 H new ATOM 1013 N LEU A 73 2.190 -2.387 -11.502 1.00 0.00 N ATOM 1014 CA LEU A 73 2.212 -1.565 -10.297 1.00 0.00 C ATOM 1015 C LEU A 73 3.247 -0.451 -10.417 1.00 0.00 C ATOM 1016 O LEU A 73 2.987 0.695 -10.047 1.00 0.00 O ATOM 1017 CB LEU A 73 2.515 -2.429 -9.072 1.00 0.00 C ATOM 1018 CG LEU A 73 2.191 -1.806 -7.714 1.00 0.00 C ATOM 1019 CD1 LEU A 73 0.699 -1.535 -7.593 1.00 0.00 C ATOM 1020 CD2 LEU A 73 2.663 -2.710 -6.585 1.00 0.00 C ATOM 0 H LEU A 73 2.738 -3.245 -11.437 1.00 0.00 H new ATOM 0 HA LEU A 73 1.228 -1.111 -10.179 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.958 -3.362 -9.163 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.574 -2.687 -9.087 1.00 0.00 H new ATOM 0 HG LEU A 73 2.720 -0.856 -7.637 1.00 0.00 H new ATOM 0 HD11 LEU A 73 0.487 -1.092 -6.620 1.00 0.00 H new ATOM 0 HD12 LEU A 73 0.389 -0.848 -8.380 1.00 0.00 H new ATOM 0 HD13 LEU A 73 0.150 -2.471 -7.692 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.424 -2.250 -5.626 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.163 -3.676 -6.659 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.741 -2.853 -6.660 1.00 0.00 H new ATOM 1032 N LEU A 74 4.420 -0.794 -10.938 1.00 0.00 N ATOM 1033 CA LEU A 74 5.494 0.178 -11.109 1.00 0.00 C ATOM 1034 C LEU A 74 5.091 1.267 -12.098 1.00 0.00 C ATOM 1035 O LEU A 74 5.437 2.435 -11.924 1.00 0.00 O ATOM 1036 CB LEU A 74 6.767 -0.520 -11.592 1.00 0.00 C ATOM 1037 CG LEU A 74 7.435 -1.465 -10.592 1.00 0.00 C ATOM 1038 CD1 LEU A 74 8.351 -2.443 -11.312 1.00 0.00 C ATOM 1039 CD2 LEU A 74 8.210 -0.675 -9.548 1.00 0.00 C ATOM 0 H LEU A 74 4.651 -1.737 -11.249 1.00 0.00 H new ATOM 0 HA LEU A 74 5.686 0.644 -10.143 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.528 -1.086 -12.492 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.490 0.244 -11.878 1.00 0.00 H new ATOM 0 HG LEU A 74 6.657 -2.035 -10.084 1.00 0.00 H new ATOM 0 HD11 LEU A 74 8.818 -3.107 -10.585 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.769 -3.032 -12.021 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.124 -1.891 -11.847 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.679 -1.363 -8.845 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.979 -0.079 -10.040 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.528 -0.016 -9.011 1.00 0.00 H new ATOM 1051 N GLU A 75 4.356 0.875 -13.134 1.00 0.00 N ATOM 1052 CA GLU A 75 3.905 1.819 -14.150 1.00 0.00 C ATOM 1053 C GLU A 75 2.975 2.866 -13.545 1.00 0.00 C ATOM 1054 O GLU A 75 2.953 4.018 -13.978 1.00 0.00 O ATOM 1055 CB GLU A 75 3.190 1.080 -15.283 1.00 0.00 C ATOM 1056 CG GLU A 75 2.134 1.918 -15.985 1.00 0.00 C ATOM 1057 CD GLU A 75 1.841 1.429 -17.390 1.00 0.00 C ATOM 1058 OE1 GLU A 75 1.606 0.214 -17.560 1.00 0.00 O ATOM 1059 OE2 GLU A 75 1.847 2.262 -18.321 1.00 0.00 O ATOM 0 H GLU A 75 4.061 -0.088 -13.292 1.00 0.00 H new ATOM 0 HA GLU A 75 4.782 2.326 -14.553 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.928 0.753 -16.015 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.721 0.182 -14.881 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.215 1.902 -15.400 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.467 2.955 -16.027 1.00 0.00 H new ATOM 1066 N ALA A 76 2.207 2.457 -12.540 1.00 0.00 N ATOM 1067 CA ALA A 76 1.276 3.359 -11.874 1.00 0.00 C ATOM 1068 C ALA A 76 2.008 4.299 -10.923 1.00 0.00 C ATOM 1069 O ALA A 76 2.026 5.514 -11.126 1.00 0.00 O ATOM 1070 CB ALA A 76 0.217 2.564 -11.123 1.00 0.00 C ATOM 0 H ALA A 76 2.212 1.507 -12.170 1.00 0.00 H new ATOM 0 HA ALA A 76 0.787 3.965 -12.637 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.472 3.250 -10.630 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.334 1.938 -11.825 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.698 1.933 -10.375 1.00 0.00 H new ATOM 1076 N LEU A 77 2.609 3.731 -9.883 1.00 0.00 N ATOM 1077 CA LEU A 77 3.342 4.519 -8.899 1.00 0.00 C ATOM 1078 C LEU A 77 4.099 5.661 -9.570 1.00 0.00 C ATOM 1079 O LEU A 77 4.166 6.770 -9.041 1.00 0.00 O ATOM 1080 CB LEU A 77 4.319 3.629 -8.128 1.00 0.00 C ATOM 1081 CG LEU A 77 3.695 2.490 -7.321 1.00 0.00 C ATOM 1082 CD1 LEU A 77 4.760 1.494 -6.891 1.00 0.00 C ATOM 1083 CD2 LEU A 77 2.954 3.038 -6.110 1.00 0.00 C ATOM 0 H LEU A 77 2.603 2.728 -9.700 1.00 0.00 H new ATOM 0 HA LEU A 77 2.621 4.945 -8.202 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.026 3.200 -8.838 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.893 4.258 -7.447 1.00 0.00 H new ATOM 0 HG LEU A 77 2.978 1.971 -7.957 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.297 0.691 -6.318 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.246 1.077 -7.773 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.502 1.999 -6.273 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.516 2.213 -5.547 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.651 3.583 -5.473 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.163 3.711 -6.441 1.00 0.00 H new ATOM 1095 N SER A 78 4.666 5.382 -10.740 1.00 0.00 N ATOM 1096 CA SER A 78 5.419 6.385 -11.483 1.00 0.00 C ATOM 1097 C SER A 78 4.529 7.568 -11.854 1.00 0.00 C ATOM 1098 O SER A 78 4.849 8.718 -11.553 1.00 0.00 O ATOM 1099 CB SER A 78 6.021 5.768 -12.747 1.00 0.00 C ATOM 1100 OG SER A 78 6.735 6.736 -13.496 1.00 0.00 O ATOM 0 H SER A 78 4.618 4.470 -11.193 1.00 0.00 H new ATOM 0 HA SER A 78 6.225 6.746 -10.844 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.688 4.950 -12.474 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.228 5.341 -13.361 1.00 0.00 H new ATOM 0 HG SER A 78 7.111 6.317 -14.298 1.00 0.00 H new ATOM 1106 N ASP A 79 3.412 7.276 -12.510 1.00 0.00 N ATOM 1107 CA ASP A 79 2.474 8.314 -12.922 1.00 0.00 C ATOM 1108 C ASP A 79 2.134 9.234 -11.754 1.00 0.00 C ATOM 1109 O ASP A 79 2.095 10.455 -11.904 1.00 0.00 O ATOM 1110 CB ASP A 79 1.196 7.684 -13.481 1.00 0.00 C ATOM 1111 CG ASP A 79 0.524 8.562 -14.517 1.00 0.00 C ATOM 1112 OD1 ASP A 79 -0.171 9.521 -14.121 1.00 0.00 O ATOM 1113 OD2 ASP A 79 0.691 8.290 -15.725 1.00 0.00 O ATOM 0 H ASP A 79 3.134 6.329 -12.768 1.00 0.00 H new ATOM 0 HA ASP A 79 2.948 8.909 -13.703 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.435 6.719 -13.927 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.500 7.494 -12.664 1.00 0.00 H new ATOM 1118 N MET A 80 1.887 8.639 -10.591 1.00 0.00 N ATOM 1119 CA MET A 80 1.550 9.406 -9.398 1.00 0.00 C ATOM 1120 C MET A 80 2.779 10.125 -8.848 1.00 0.00 C ATOM 1121 O MET A 80 2.681 11.238 -8.334 1.00 0.00 O ATOM 1122 CB MET A 80 0.960 8.489 -8.326 1.00 0.00 C ATOM 1123 CG MET A 80 -0.344 7.828 -8.742 1.00 0.00 C ATOM 1124 SD MET A 80 -1.065 6.824 -7.429 1.00 0.00 S ATOM 1125 CE MET A 80 -0.822 7.893 -6.013 1.00 0.00 C ATOM 0 H MET A 80 1.914 7.629 -10.450 1.00 0.00 H new ATOM 0 HA MET A 80 0.807 10.154 -9.676 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.688 7.716 -8.081 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.791 9.067 -7.418 1.00 0.00 H new ATOM 0 HG2 MET A 80 -1.057 8.597 -9.039 1.00 0.00 H new ATOM 0 HG3 MET A 80 -0.167 7.202 -9.617 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.453 7.556 -5.190 1.00 0.00 H new ATOM 0 HE2 MET A 80 0.223 7.858 -5.706 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.088 8.916 -6.279 1.00 0.00 H new ATOM 1135 N GLY A 81 3.936 9.479 -8.961 1.00 0.00 N ATOM 1136 CA GLY A 81 5.167 10.072 -8.471 1.00 0.00 C ATOM 1137 C GLY A 81 5.739 9.321 -7.285 1.00 0.00 C ATOM 1138 O GLY A 81 6.755 9.725 -6.716 1.00 0.00 O ATOM 0 H GLY A 81 4.043 8.556 -9.383 1.00 0.00 H new ATOM 0 HA2 GLY A 81 5.903 10.091 -9.275 1.00 0.00 H new ATOM 0 HA3 GLY A 81 4.980 11.107 -8.186 1.00 0.00 H new ATOM 1142 N LEU A 82 5.087 8.227 -6.909 1.00 0.00 N ATOM 1143 CA LEU A 82 5.537 7.418 -5.781 1.00 0.00 C ATOM 1144 C LEU A 82 6.845 6.705 -6.109 1.00 0.00 C ATOM 1145 O LEU A 82 6.870 5.488 -6.289 1.00 0.00 O ATOM 1146 CB LEU A 82 4.465 6.394 -5.403 1.00 0.00 C ATOM 1147 CG LEU A 82 3.183 6.958 -4.790 1.00 0.00 C ATOM 1148 CD1 LEU A 82 2.002 6.049 -5.090 1.00 0.00 C ATOM 1149 CD2 LEU A 82 3.348 7.145 -3.289 1.00 0.00 C ATOM 0 H LEU A 82 4.245 7.879 -7.368 1.00 0.00 H new ATOM 0 HA LEU A 82 5.710 8.083 -4.935 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.199 5.830 -6.297 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.900 5.686 -4.698 1.00 0.00 H new ATOM 0 HG LEU A 82 2.987 7.932 -5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.099 6.467 -4.646 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.871 5.967 -6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.188 5.060 -4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.426 7.547 -2.869 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.569 6.184 -2.825 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.167 7.838 -3.097 1.00 0.00 H new ATOM 1161 N GLU A 83 7.928 7.472 -6.183 1.00 0.00 N ATOM 1162 CA GLU A 83 9.240 6.912 -6.488 1.00 0.00 C ATOM 1163 C GLU A 83 9.779 6.113 -5.304 1.00 0.00 C ATOM 1164 O GLU A 83 10.810 5.451 -5.409 1.00 0.00 O ATOM 1165 CB GLU A 83 10.222 8.027 -6.855 1.00 0.00 C ATOM 1166 CG GLU A 83 10.309 9.129 -5.813 1.00 0.00 C ATOM 1167 CD GLU A 83 11.314 10.202 -6.181 1.00 0.00 C ATOM 1168 OE1 GLU A 83 12.529 9.950 -6.039 1.00 0.00 O ATOM 1169 OE2 GLU A 83 10.887 11.293 -6.612 1.00 0.00 O ATOM 0 H GLU A 83 7.923 8.481 -6.036 1.00 0.00 H new ATOM 0 HA GLU A 83 9.131 6.239 -7.339 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.212 7.595 -6.998 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.924 8.463 -7.808 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.326 9.584 -5.688 1.00 0.00 H new ATOM 0 HG3 GLU A 83 10.583 8.694 -4.852 1.00 0.00 H new ATOM 1176 N GLU A 84 9.073 6.183 -4.180 1.00 0.00 N ATOM 1177 CA GLU A 84 9.482 5.468 -2.977 1.00 0.00 C ATOM 1178 C GLU A 84 9.219 3.972 -3.117 1.00 0.00 C ATOM 1179 O GLU A 84 10.098 3.149 -2.864 1.00 0.00 O ATOM 1180 CB GLU A 84 8.741 6.015 -1.755 1.00 0.00 C ATOM 1181 CG GLU A 84 9.529 5.897 -0.461 1.00 0.00 C ATOM 1182 CD GLU A 84 10.659 6.904 -0.373 1.00 0.00 C ATOM 1183 OE1 GLU A 84 10.377 8.119 -0.443 1.00 0.00 O ATOM 1184 OE2 GLU A 84 11.825 6.478 -0.234 1.00 0.00 O ATOM 0 H GLU A 84 8.216 6.727 -4.077 1.00 0.00 H new ATOM 0 HA GLU A 84 10.553 5.620 -2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.497 7.063 -1.928 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.796 5.482 -1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.855 6.037 0.384 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.938 4.890 -0.379 1.00 0.00 H new ATOM 1191 N GLY A 85 8.001 3.626 -3.523 1.00 0.00 N ATOM 1192 CA GLY A 85 7.643 2.230 -3.690 1.00 0.00 C ATOM 1193 C GLY A 85 8.456 1.548 -4.772 1.00 0.00 C ATOM 1194 O GLY A 85 8.976 0.451 -4.569 1.00 0.00 O ATOM 0 H GLY A 85 7.256 4.288 -3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.788 1.705 -2.746 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.584 2.157 -3.935 1.00 0.00 H new ATOM 1198 N VAL A 86 8.566 2.198 -5.926 1.00 0.00 N ATOM 1199 CA VAL A 86 9.322 1.647 -7.045 1.00 0.00 C ATOM 1200 C VAL A 86 10.727 1.245 -6.614 1.00 0.00 C ATOM 1201 O VAL A 86 11.257 0.227 -7.059 1.00 0.00 O ATOM 1202 CB VAL A 86 9.421 2.655 -8.205 1.00 0.00 C ATOM 1203 CG1 VAL A 86 10.336 2.124 -9.298 1.00 0.00 C ATOM 1204 CG2 VAL A 86 8.039 2.966 -8.761 1.00 0.00 C ATOM 0 H VAL A 86 8.141 3.107 -6.111 1.00 0.00 H new ATOM 0 HA VAL A 86 8.784 0.763 -7.386 1.00 0.00 H new ATOM 0 HB VAL A 86 9.851 3.581 -7.822 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.393 2.850 -10.109 1.00 0.00 H new ATOM 0 HG12 VAL A 86 11.333 1.957 -8.889 1.00 0.00 H new ATOM 0 HG13 VAL A 86 9.939 1.184 -9.680 1.00 0.00 H new ATOM 0 HG21 VAL A 86 8.128 3.680 -9.580 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.580 2.048 -9.128 1.00 0.00 H new ATOM 0 HG23 VAL A 86 7.418 3.393 -7.974 1.00 0.00 H new ATOM 1214 N ARG A 87 11.327 2.052 -5.745 1.00 0.00 N ATOM 1215 CA ARG A 87 12.673 1.781 -5.253 1.00 0.00 C ATOM 1216 C ARG A 87 12.676 0.582 -4.309 1.00 0.00 C ATOM 1217 O ARG A 87 13.681 -0.118 -4.181 1.00 0.00 O ATOM 1218 CB ARG A 87 13.234 3.010 -4.536 1.00 0.00 C ATOM 1219 CG ARG A 87 13.631 4.136 -5.476 1.00 0.00 C ATOM 1220 CD ARG A 87 13.837 5.442 -4.726 1.00 0.00 C ATOM 1221 NE ARG A 87 15.188 5.554 -4.182 1.00 0.00 N ATOM 1222 CZ ARG A 87 15.555 5.039 -3.014 1.00 0.00 C ATOM 1223 NH1 ARG A 87 14.677 4.380 -2.271 1.00 0.00 N ATOM 1224 NH2 ARG A 87 16.803 5.183 -2.587 1.00 0.00 N ATOM 0 H ARG A 87 10.902 2.899 -5.367 1.00 0.00 H new ATOM 0 HA ARG A 87 13.306 1.548 -6.110 1.00 0.00 H new ATOM 0 HB2 ARG A 87 12.489 3.381 -3.833 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.104 2.713 -3.951 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.548 3.868 -6.000 1.00 0.00 H new ATOM 0 HG3 ARG A 87 12.858 4.268 -6.234 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.646 6.279 -5.397 1.00 0.00 H new ATOM 0 HD3 ARG A 87 13.113 5.512 -3.915 1.00 0.00 H new ATOM 0 HE ARG A 87 15.888 6.055 -4.729 1.00 0.00 H new ATOM 0 HH11 ARG A 87 13.717 4.267 -2.596 1.00 0.00 H new ATOM 0 HH12 ARG A 87 14.962 3.986 -1.374 1.00 0.00 H new ATOM 0 HH21 ARG A 87 17.481 5.690 -3.156 1.00 0.00 H new ATOM 0 HH22 ARG A 87 17.084 4.787 -1.690 1.00 0.00 H new ATOM 1238 N LEU A 88 11.545 0.351 -3.651 1.00 0.00 N ATOM 1239 CA LEU A 88 11.417 -0.763 -2.718 1.00 0.00 C ATOM 1240 C LEU A 88 11.181 -2.073 -3.463 1.00 0.00 C ATOM 1241 O LEU A 88 11.904 -3.050 -3.267 1.00 0.00 O ATOM 1242 CB LEU A 88 10.269 -0.505 -1.741 1.00 0.00 C ATOM 1243 CG LEU A 88 9.760 -1.722 -0.967 1.00 0.00 C ATOM 1244 CD1 LEU A 88 10.661 -2.012 0.223 1.00 0.00 C ATOM 1245 CD2 LEU A 88 8.325 -1.502 -0.511 1.00 0.00 C ATOM 0 H LEU A 88 10.704 0.920 -3.746 1.00 0.00 H new ATOM 0 HA LEU A 88 12.350 -0.847 -2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 88 10.592 0.248 -1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.434 -0.078 -2.297 1.00 0.00 H new ATOM 0 HG LEU A 88 9.780 -2.586 -1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 88 10.284 -2.881 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.673 -2.214 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.673 -1.149 0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.979 -2.378 0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.279 -0.626 0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.687 -1.344 -1.381 1.00 0.00 H new ATOM 1257 N LEU A 89 10.166 -2.085 -4.320 1.00 0.00 N ATOM 1258 CA LEU A 89 9.836 -3.275 -5.098 1.00 0.00 C ATOM 1259 C LEU A 89 11.041 -3.751 -5.902 1.00 0.00 C ATOM 1260 O LEU A 89 11.264 -4.953 -6.052 1.00 0.00 O ATOM 1261 CB LEU A 89 8.664 -2.985 -6.037 1.00 0.00 C ATOM 1262 CG LEU A 89 7.334 -2.640 -5.364 1.00 0.00 C ATOM 1263 CD1 LEU A 89 6.375 -2.016 -6.366 1.00 0.00 C ATOM 1264 CD2 LEU A 89 6.718 -3.881 -4.735 1.00 0.00 C ATOM 0 H LEU A 89 9.557 -1.285 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 89 9.551 -4.066 -4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 89 8.943 -2.158 -6.690 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.511 -3.856 -6.674 1.00 0.00 H new ATOM 0 HG LEU A 89 7.525 -1.913 -4.574 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.434 -1.777 -5.869 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.814 -1.104 -6.770 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.188 -2.719 -7.178 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.773 -3.617 -4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.540 -4.630 -5.507 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.399 -4.286 -3.986 1.00 0.00 H new ATOM 1276 N ARG A 90 11.815 -2.802 -6.417 1.00 0.00 N ATOM 1277 CA ARG A 90 12.999 -3.125 -7.205 1.00 0.00 C ATOM 1278 C ARG A 90 14.037 -3.851 -6.355 1.00 0.00 C ATOM 1279 O ARG A 90 14.664 -4.808 -6.806 1.00 0.00 O ATOM 1280 CB ARG A 90 13.608 -1.851 -7.795 1.00 0.00 C ATOM 1281 CG ARG A 90 12.971 -1.423 -9.107 1.00 0.00 C ATOM 1282 CD ARG A 90 13.891 -0.508 -9.900 1.00 0.00 C ATOM 1283 NE ARG A 90 15.041 -1.226 -10.444 1.00 0.00 N ATOM 1284 CZ ARG A 90 14.974 -2.028 -11.501 1.00 0.00 C ATOM 1285 NH1 ARG A 90 13.819 -2.213 -12.124 1.00 0.00 N ATOM 1286 NH2 ARG A 90 16.064 -2.646 -11.936 1.00 0.00 N ATOM 0 H ARG A 90 11.644 -1.803 -6.303 1.00 0.00 H new ATOM 0 HA ARG A 90 12.695 -3.785 -8.018 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.508 -1.042 -7.071 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.675 -2.008 -7.953 1.00 0.00 H new ATOM 0 HG2 ARG A 90 12.732 -2.305 -9.702 1.00 0.00 H new ATOM 0 HG3 ARG A 90 12.031 -0.910 -8.906 1.00 0.00 H new ATOM 0 HD2 ARG A 90 13.331 -0.049 -10.715 1.00 0.00 H new ATOM 0 HD3 ARG A 90 14.239 0.301 -9.258 1.00 0.00 H new ATOM 0 HE ARG A 90 15.945 -1.105 -9.987 1.00 0.00 H new ATOM 0 HH11 ARG A 90 12.979 -1.739 -11.792 1.00 0.00 H new ATOM 0 HH12 ARG A 90 13.770 -2.829 -12.935 1.00 0.00 H new ATOM 0 HH21 ARG A 90 16.955 -2.506 -11.459 1.00 0.00 H new ATOM 0 HH22 ARG A 90 16.012 -3.262 -12.748 1.00 0.00 H new ATOM 1300 N GLY A 91 14.212 -3.388 -5.121 1.00 0.00 N ATOM 1301 CA GLY A 91 15.175 -4.005 -4.227 1.00 0.00 C ATOM 1302 C GLY A 91 16.240 -3.032 -3.761 1.00 0.00 C ATOM 1303 O GLY A 91 16.649 -2.129 -4.491 1.00 0.00 O ATOM 0 H GLY A 91 13.704 -2.597 -4.724 1.00 0.00 H new ATOM 0 HA2 GLY A 91 14.653 -4.410 -3.360 1.00 0.00 H new ATOM 0 HA3 GLY A 91 15.651 -4.844 -4.734 1.00 0.00 H new ATOM 1307 N PRO A 92 16.704 -3.209 -2.515 1.00 0.00 N ATOM 1308 CA PRO A 92 17.733 -2.348 -1.924 1.00 0.00 C ATOM 1309 C PRO A 92 19.100 -2.551 -2.568 1.00 0.00 C ATOM 1310 O PRO A 92 19.253 -3.370 -3.474 1.00 0.00 O ATOM 1311 CB PRO A 92 17.762 -2.786 -0.458 1.00 0.00 C ATOM 1312 CG PRO A 92 17.267 -4.191 -0.472 1.00 0.00 C ATOM 1313 CD PRO A 92 16.262 -4.264 -1.588 1.00 0.00 C ATOM 0 HA PRO A 92 17.509 -1.290 -2.063 1.00 0.00 H new ATOM 0 HB2 PRO A 92 18.770 -2.725 -0.047 1.00 0.00 H new ATOM 0 HB3 PRO A 92 17.127 -2.149 0.158 1.00 0.00 H new ATOM 0 HG2 PRO A 92 18.085 -4.892 -0.637 1.00 0.00 H new ATOM 0 HG3 PRO A 92 16.810 -4.454 0.482 1.00 0.00 H new ATOM 0 HD2 PRO A 92 16.262 -5.244 -2.065 1.00 0.00 H new ATOM 0 HD3 PRO A 92 15.249 -4.084 -1.229 1.00 0.00 H new ATOM 1321 N GLU A 93 20.090 -1.801 -2.094 1.00 0.00 N ATOM 1322 CA GLU A 93 21.444 -1.900 -2.626 1.00 0.00 C ATOM 1323 C GLU A 93 22.467 -1.985 -1.496 1.00 0.00 C ATOM 1324 O GLU A 93 23.022 -0.973 -1.067 1.00 0.00 O ATOM 1325 CB GLU A 93 21.754 -0.698 -3.520 1.00 0.00 C ATOM 1326 CG GLU A 93 20.987 -0.701 -4.832 1.00 0.00 C ATOM 1327 CD GLU A 93 21.370 0.456 -5.734 1.00 0.00 C ATOM 1328 OE1 GLU A 93 21.259 1.617 -5.290 1.00 0.00 O ATOM 1329 OE2 GLU A 93 21.782 0.198 -6.885 1.00 0.00 O ATOM 0 H GLU A 93 19.980 -1.119 -1.344 1.00 0.00 H new ATOM 0 HA GLU A 93 21.508 -2.811 -3.221 1.00 0.00 H new ATOM 0 HB2 GLU A 93 21.523 0.218 -2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 93 22.823 -0.681 -3.734 1.00 0.00 H new ATOM 0 HG2 GLU A 93 21.171 -1.640 -5.354 1.00 0.00 H new ATOM 0 HG3 GLU A 93 19.918 -0.656 -4.624 1.00 0.00 H new ATOM 1336 N THR A 94 22.712 -3.201 -1.018 1.00 0.00 N ATOM 1337 CA THR A 94 23.666 -3.420 0.062 1.00 0.00 C ATOM 1338 C THR A 94 23.884 -4.908 0.311 1.00 0.00 C ATOM 1339 O THR A 94 22.987 -5.721 0.089 1.00 0.00 O ATOM 1340 CB THR A 94 23.195 -2.755 1.370 1.00 0.00 C ATOM 1341 OG1 THR A 94 24.184 -2.930 2.391 1.00 0.00 O ATOM 1342 CG2 THR A 94 21.872 -3.347 1.832 1.00 0.00 C ATOM 0 H THR A 94 22.263 -4.050 -1.362 1.00 0.00 H new ATOM 0 HA THR A 94 24.607 -2.966 -0.250 1.00 0.00 H new ATOM 0 HB THR A 94 23.052 -1.691 1.181 1.00 0.00 H new ATOM 0 HG1 THR A 94 23.879 -2.503 3.219 1.00 0.00 H new ATOM 0 HG21 THR A 94 21.560 -2.862 2.757 1.00 0.00 H new ATOM 0 HG22 THR A 94 21.114 -3.188 1.065 1.00 0.00 H new ATOM 0 HG23 THR A 94 21.993 -4.416 2.006 1.00 0.00 H new ATOM 1350 N ARG A 95 25.079 -5.257 0.774 1.00 0.00 N ATOM 1351 CA ARG A 95 25.414 -6.648 1.052 1.00 0.00 C ATOM 1352 C ARG A 95 25.677 -6.856 2.541 1.00 0.00 C ATOM 1353 O ARG A 95 26.511 -6.173 3.136 1.00 0.00 O ATOM 1354 CB ARG A 95 26.641 -7.071 0.243 1.00 0.00 C ATOM 1355 CG ARG A 95 26.749 -8.574 0.040 1.00 0.00 C ATOM 1356 CD ARG A 95 27.538 -9.233 1.160 1.00 0.00 C ATOM 1357 NE ARG A 95 28.895 -8.702 1.259 1.00 0.00 N ATOM 1358 CZ ARG A 95 29.866 -9.003 0.404 1.00 0.00 C ATOM 1359 NH1 ARG A 95 29.630 -9.827 -0.608 1.00 0.00 N ATOM 1360 NH2 ARG A 95 31.075 -8.480 0.561 1.00 0.00 N ATOM 0 H ARG A 95 25.832 -4.596 0.965 1.00 0.00 H new ATOM 0 HA ARG A 95 24.565 -7.266 0.760 1.00 0.00 H new ATOM 0 HB2 ARG A 95 26.609 -6.583 -0.731 1.00 0.00 H new ATOM 0 HB3 ARG A 95 27.539 -6.716 0.749 1.00 0.00 H new ATOM 0 HG2 ARG A 95 25.750 -9.008 -0.007 1.00 0.00 H new ATOM 0 HG3 ARG A 95 27.231 -8.779 -0.916 1.00 0.00 H new ATOM 0 HD2 ARG A 95 27.019 -9.081 2.107 1.00 0.00 H new ATOM 0 HD3 ARG A 95 27.581 -10.309 0.989 1.00 0.00 H new ATOM 0 HE ARG A 95 29.109 -8.065 2.027 1.00 0.00 H new ATOM 0 HH11 ARG A 95 28.701 -10.231 -0.731 1.00 0.00 H new ATOM 0 HH12 ARG A 95 30.377 -10.057 -1.263 1.00 0.00 H new ATOM 0 HH21 ARG A 95 31.259 -7.846 1.339 1.00 0.00 H new ATOM 0 HH22 ARG A 95 31.820 -8.712 -0.096 1.00 0.00 H new ATOM 1374 N ASP A 96 24.961 -7.804 3.136 1.00 0.00 N ATOM 1375 CA ASP A 96 25.117 -8.103 4.555 1.00 0.00 C ATOM 1376 C ASP A 96 25.302 -9.600 4.777 1.00 0.00 C ATOM 1377 O ASP A 96 24.335 -10.332 4.990 1.00 0.00 O ATOM 1378 CB ASP A 96 23.902 -7.604 5.339 1.00 0.00 C ATOM 1379 CG ASP A 96 24.046 -7.827 6.832 1.00 0.00 C ATOM 1380 OD1 ASP A 96 25.106 -7.467 7.386 1.00 0.00 O ATOM 1381 OD2 ASP A 96 23.098 -8.361 7.447 1.00 0.00 O ATOM 0 H ASP A 96 24.267 -8.379 2.658 1.00 0.00 H new ATOM 0 HA ASP A 96 26.008 -7.588 4.915 1.00 0.00 H new ATOM 0 HB2 ASP A 96 23.760 -6.541 5.145 1.00 0.00 H new ATOM 0 HB3 ASP A 96 23.008 -8.115 4.983 1.00 0.00 H new ATOM 1386 N LYS A 97 26.551 -10.051 4.726 1.00 0.00 N ATOM 1387 CA LYS A 97 26.865 -11.461 4.922 1.00 0.00 C ATOM 1388 C LYS A 97 28.307 -11.639 5.383 1.00 0.00 C ATOM 1389 O LYS A 97 29.247 -11.291 4.666 1.00 0.00 O ATOM 1390 CB LYS A 97 26.633 -12.241 3.625 1.00 0.00 C ATOM 1391 CG LYS A 97 26.522 -13.742 3.830 1.00 0.00 C ATOM 1392 CD LYS A 97 26.713 -14.499 2.526 1.00 0.00 C ATOM 1393 CE LYS A 97 25.398 -14.663 1.780 1.00 0.00 C ATOM 1394 NZ LYS A 97 25.068 -13.461 0.966 1.00 0.00 N ATOM 0 H LYS A 97 27.363 -9.459 4.550 1.00 0.00 H new ATOM 0 HA LYS A 97 26.204 -11.850 5.697 1.00 0.00 H new ATOM 0 HB2 LYS A 97 25.721 -11.879 3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 97 27.453 -12.036 2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 97 27.269 -14.068 4.553 1.00 0.00 H new ATOM 0 HG3 LYS A 97 25.545 -13.981 4.251 1.00 0.00 H new ATOM 0 HD2 LYS A 97 27.426 -13.967 1.896 1.00 0.00 H new ATOM 0 HD3 LYS A 97 27.140 -15.480 2.733 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.455 -15.537 1.131 1.00 0.00 H new ATOM 0 HE3 LYS A 97 24.596 -14.849 2.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 24.473 -13.740 0.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 24.554 -12.774 1.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 25.946 -13.028 0.615 1.00 0.00 H new ATOM 1408 N LEU A 98 28.477 -12.182 6.583 1.00 0.00 N ATOM 1409 CA LEU A 98 29.806 -12.407 7.141 1.00 0.00 C ATOM 1410 C LEU A 98 30.133 -13.897 7.185 1.00 0.00 C ATOM 1411 O LEU A 98 29.270 -14.740 7.432 1.00 0.00 O ATOM 1412 CB LEU A 98 29.899 -11.811 8.546 1.00 0.00 C ATOM 1413 CG LEU A 98 29.371 -12.687 9.683 1.00 0.00 C ATOM 1414 CD1 LEU A 98 30.479 -13.568 10.238 1.00 0.00 C ATOM 1415 CD2 LEU A 98 28.770 -11.826 10.784 1.00 0.00 C ATOM 0 H LEU A 98 27.711 -12.475 7.189 1.00 0.00 H new ATOM 0 HA LEU A 98 30.532 -11.913 6.495 1.00 0.00 H new ATOM 0 HB2 LEU A 98 30.943 -11.575 8.751 1.00 0.00 H new ATOM 0 HB3 LEU A 98 29.352 -10.868 8.556 1.00 0.00 H new ATOM 0 HG LEU A 98 28.588 -13.332 9.285 1.00 0.00 H new ATOM 0 HD11 LEU A 98 30.084 -14.184 11.046 1.00 0.00 H new ATOM 0 HD12 LEU A 98 30.864 -14.211 9.446 1.00 0.00 H new ATOM 0 HD13 LEU A 98 31.285 -12.942 10.620 1.00 0.00 H new ATOM 0 HD21 LEU A 98 28.399 -12.466 11.585 1.00 0.00 H new ATOM 0 HD22 LEU A 98 29.533 -11.156 11.179 1.00 0.00 H new ATOM 0 HD23 LEU A 98 27.946 -11.239 10.378 1.00 0.00 H new ATOM 1427 N PRO A 99 31.409 -14.230 6.942 1.00 0.00 N ATOM 1428 CA PRO A 99 31.880 -15.618 6.951 1.00 0.00 C ATOM 1429 C PRO A 99 31.888 -16.219 8.352 1.00 0.00 C ATOM 1430 O PRO A 99 32.913 -16.218 9.033 1.00 0.00 O ATOM 1431 CB PRO A 99 33.307 -15.512 6.407 1.00 0.00 C ATOM 1432 CG PRO A 99 33.733 -14.121 6.728 1.00 0.00 C ATOM 1433 CD PRO A 99 32.491 -13.278 6.640 1.00 0.00 C ATOM 0 HA PRO A 99 31.233 -16.271 6.366 1.00 0.00 H new ATOM 0 HB2 PRO A 99 33.964 -16.245 6.875 1.00 0.00 H new ATOM 0 HB3 PRO A 99 33.336 -15.697 5.333 1.00 0.00 H new ATOM 0 HG2 PRO A 99 34.172 -14.067 7.724 1.00 0.00 H new ATOM 0 HG3 PRO A 99 34.491 -13.773 6.027 1.00 0.00 H new ATOM 0 HD2 PRO A 99 32.513 -12.455 7.354 1.00 0.00 H new ATOM 0 HD3 PRO A 99 32.374 -12.838 5.650 1.00 0.00 H new ATOM 1441 N SER A 100 30.737 -16.731 8.778 1.00 0.00 N ATOM 1442 CA SER A 100 30.611 -17.332 10.100 1.00 0.00 C ATOM 1443 C SER A 100 31.638 -18.444 10.292 1.00 0.00 C ATOM 1444 O SER A 100 31.938 -19.196 9.364 1.00 0.00 O ATOM 1445 CB SER A 100 29.199 -17.887 10.298 1.00 0.00 C ATOM 1446 OG SER A 100 29.044 -19.134 9.642 1.00 0.00 O ATOM 0 H SER A 100 29.879 -16.741 8.226 1.00 0.00 H new ATOM 0 HA SER A 100 30.797 -16.557 10.844 1.00 0.00 H new ATOM 0 HB2 SER A 100 28.997 -18.005 11.363 1.00 0.00 H new ATOM 0 HB3 SER A 100 28.468 -17.176 9.912 1.00 0.00 H new ATOM 0 HG SER A 100 28.134 -19.468 9.785 1.00 0.00 H new ATOM 1452 N THR A 101 32.175 -18.542 11.504 1.00 0.00 N ATOM 1453 CA THR A 101 33.169 -19.560 11.820 1.00 0.00 C ATOM 1454 C THR A 101 32.556 -20.695 12.632 1.00 0.00 C ATOM 1455 O THR A 101 32.886 -21.863 12.430 1.00 0.00 O ATOM 1456 CB THR A 101 34.354 -18.965 12.604 1.00 0.00 C ATOM 1457 OG1 THR A 101 33.870 -18.165 13.689 1.00 0.00 O ATOM 1458 CG2 THR A 101 35.233 -18.118 11.696 1.00 0.00 C ATOM 0 H THR A 101 31.938 -17.928 12.283 1.00 0.00 H new ATOM 0 HA THR A 101 33.532 -19.952 10.870 1.00 0.00 H new ATOM 0 HB THR A 101 34.951 -19.788 12.997 1.00 0.00 H new ATOM 0 HG1 THR A 101 34.629 -17.791 14.184 1.00 0.00 H new ATOM 0 HG21 THR A 101 36.063 -17.709 12.272 1.00 0.00 H new ATOM 0 HG22 THR A 101 35.623 -18.736 10.887 1.00 0.00 H new ATOM 0 HG23 THR A 101 34.644 -17.302 11.278 1.00 0.00 H new ATOM 1466 N GLU A 102 31.662 -20.343 13.550 1.00 0.00 N ATOM 1467 CA GLU A 102 31.003 -21.334 14.393 1.00 0.00 C ATOM 1468 C GLU A 102 29.486 -21.247 14.251 1.00 0.00 C ATOM 1469 O GLU A 102 28.952 -20.245 13.775 1.00 0.00 O ATOM 1470 CB GLU A 102 31.401 -21.137 15.857 1.00 0.00 C ATOM 1471 CG GLU A 102 32.887 -21.316 16.113 1.00 0.00 C ATOM 1472 CD GLU A 102 33.332 -20.698 17.425 1.00 0.00 C ATOM 1473 OE1 GLU A 102 33.204 -21.369 18.471 1.00 0.00 O ATOM 1474 OE2 GLU A 102 33.809 -19.544 17.405 1.00 0.00 O ATOM 0 H GLU A 102 31.377 -19.380 13.729 1.00 0.00 H new ATOM 0 HA GLU A 102 31.325 -22.323 14.066 1.00 0.00 H new ATOM 0 HB2 GLU A 102 31.104 -20.137 16.174 1.00 0.00 H new ATOM 0 HB3 GLU A 102 30.847 -21.845 16.474 1.00 0.00 H new ATOM 0 HG2 GLU A 102 33.126 -22.380 16.117 1.00 0.00 H new ATOM 0 HG3 GLU A 102 33.450 -20.866 15.295 1.00 0.00 H new ATOM 1481 N VAL A 103 28.797 -22.305 14.666 1.00 0.00 N ATOM 1482 CA VAL A 103 27.341 -22.349 14.586 1.00 0.00 C ATOM 1483 C VAL A 103 26.735 -22.866 15.886 1.00 0.00 C ATOM 1484 O VAL A 103 27.223 -23.833 16.469 1.00 0.00 O ATOM 1485 CB VAL A 103 26.870 -23.241 13.422 1.00 0.00 C ATOM 1486 CG1 VAL A 103 27.266 -24.690 13.666 1.00 0.00 C ATOM 1487 CG2 VAL A 103 25.366 -23.116 13.230 1.00 0.00 C ATOM 0 H VAL A 103 29.223 -23.143 15.061 1.00 0.00 H new ATOM 0 HA VAL A 103 27.002 -21.328 14.411 1.00 0.00 H new ATOM 0 HB VAL A 103 27.359 -22.904 12.508 1.00 0.00 H new ATOM 0 HG11 VAL A 103 26.925 -25.305 12.834 1.00 0.00 H new ATOM 0 HG12 VAL A 103 28.350 -24.762 13.750 1.00 0.00 H new ATOM 0 HG13 VAL A 103 26.807 -25.042 14.590 1.00 0.00 H new ATOM 0 HG21 VAL A 103 25.051 -23.753 12.404 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.856 -23.426 14.142 1.00 0.00 H new ATOM 0 HG23 VAL A 103 25.113 -22.080 13.007 1.00 0.00 H new ATOM 1497 N SER A 104 25.667 -22.214 16.334 1.00 0.00 N ATOM 1498 CA SER A 104 24.994 -22.605 17.568 1.00 0.00 C ATOM 1499 C SER A 104 23.481 -22.627 17.378 1.00 0.00 C ATOM 1500 O SER A 104 22.974 -22.301 16.305 1.00 0.00 O ATOM 1501 CB SER A 104 25.364 -21.646 18.701 1.00 0.00 C ATOM 1502 OG SER A 104 26.685 -21.880 19.157 1.00 0.00 O ATOM 0 H SER A 104 25.249 -21.413 15.861 1.00 0.00 H new ATOM 0 HA SER A 104 25.324 -23.610 17.830 1.00 0.00 H new ATOM 0 HB2 SER A 104 25.273 -20.617 18.355 1.00 0.00 H new ATOM 0 HB3 SER A 104 24.664 -21.767 19.528 1.00 0.00 H new ATOM 0 HG SER A 104 26.897 -21.253 19.880 1.00 0.00 H new ATOM 1508 N GLY A 105 22.764 -23.014 18.429 1.00 0.00 N ATOM 1509 CA GLY A 105 21.316 -23.073 18.358 1.00 0.00 C ATOM 1510 C GLY A 105 20.688 -23.488 19.674 1.00 0.00 C ATOM 1511 O GLY A 105 20.215 -24.614 19.832 1.00 0.00 O ATOM 0 H GLY A 105 23.160 -23.288 19.328 1.00 0.00 H new ATOM 0 HA2 GLY A 105 20.929 -22.096 18.066 1.00 0.00 H new ATOM 0 HA3 GLY A 105 21.022 -23.778 17.580 1.00 0.00 H new ATOM 1515 N PRO A 106 20.679 -22.566 20.647 1.00 0.00 N ATOM 1516 CA PRO A 106 20.108 -22.820 21.973 1.00 0.00 C ATOM 1517 C PRO A 106 18.588 -22.939 21.937 1.00 0.00 C ATOM 1518 O PRO A 106 17.971 -22.813 20.879 1.00 0.00 O ATOM 1519 CB PRO A 106 20.529 -21.590 22.782 1.00 0.00 C ATOM 1520 CG PRO A 106 20.720 -20.516 21.767 1.00 0.00 C ATOM 1521 CD PRO A 106 21.224 -21.203 20.528 1.00 0.00 C ATOM 0 HA PRO A 106 20.457 -23.763 22.393 1.00 0.00 H new ATOM 0 HB2 PRO A 106 19.766 -21.315 23.510 1.00 0.00 H new ATOM 0 HB3 PRO A 106 21.448 -21.777 23.338 1.00 0.00 H new ATOM 0 HG2 PRO A 106 19.784 -19.994 21.570 1.00 0.00 H new ATOM 0 HG3 PRO A 106 21.433 -19.770 22.117 1.00 0.00 H new ATOM 0 HD2 PRO A 106 20.873 -20.708 19.623 1.00 0.00 H new ATOM 0 HD3 PRO A 106 22.313 -21.208 20.486 1.00 0.00 H new ATOM 1529 N SER A 107 17.990 -23.181 23.099 1.00 0.00 N ATOM 1530 CA SER A 107 16.542 -23.321 23.199 1.00 0.00 C ATOM 1531 C SER A 107 15.982 -24.059 21.987 1.00 0.00 C ATOM 1532 O SER A 107 14.949 -23.679 21.438 1.00 0.00 O ATOM 1533 CB SER A 107 15.883 -21.945 23.322 1.00 0.00 C ATOM 1534 OG SER A 107 16.195 -21.129 22.206 1.00 0.00 O ATOM 0 H SER A 107 18.486 -23.284 23.984 1.00 0.00 H new ATOM 0 HA SER A 107 16.319 -23.904 24.092 1.00 0.00 H new ATOM 0 HB2 SER A 107 14.802 -22.062 23.400 1.00 0.00 H new ATOM 0 HB3 SER A 107 16.218 -21.458 24.238 1.00 0.00 H new ATOM 0 HG SER A 107 15.761 -20.256 22.307 1.00 0.00 H new ATOM 1540 N SER A 108 16.673 -25.118 21.577 1.00 0.00 N ATOM 1541 CA SER A 108 16.248 -25.909 20.428 1.00 0.00 C ATOM 1542 C SER A 108 14.777 -26.296 20.549 1.00 0.00 C ATOM 1543 O SER A 108 14.005 -26.150 19.602 1.00 0.00 O ATOM 1544 CB SER A 108 17.109 -27.167 20.301 1.00 0.00 C ATOM 1545 OG SER A 108 16.636 -28.007 19.263 1.00 0.00 O ATOM 0 H SER A 108 17.529 -25.448 22.023 1.00 0.00 H new ATOM 0 HA SER A 108 16.373 -25.300 19.533 1.00 0.00 H new ATOM 0 HB2 SER A 108 18.143 -26.885 20.102 1.00 0.00 H new ATOM 0 HB3 SER A 108 17.103 -27.712 21.245 1.00 0.00 H new ATOM 0 HG SER A 108 17.204 -28.803 19.202 1.00 0.00 H new ATOM 1551 N GLY A 109 14.397 -26.792 21.722 1.00 0.00 N ATOM 1552 CA GLY A 109 13.020 -27.193 21.947 1.00 0.00 C ATOM 1553 C GLY A 109 12.440 -27.958 20.774 1.00 0.00 C ATOM 1554 O GLY A 109 12.644 -29.165 20.649 1.00 0.00 O ATOM 0 H GLY A 109 15.018 -26.923 22.521 1.00 0.00 H new ATOM 0 HA2 GLY A 109 12.967 -27.812 22.843 1.00 0.00 H new ATOM 0 HA3 GLY A 109 12.413 -26.307 22.135 1.00 0.00 H new TER 1558 GLY A 109