USER MOD reduce.3.24.130724 H: found=0, std=0, add=745, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 743 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 THR OG1 : rot 180:sc= -0.189 USER MOD Set 1.2: A 88 THR OG1 : rot -80:sc= 0.183 USER MOD Set 2.1: A 81 TYR OH : rot 30:sc= -0.381 USER MOD Set 2.2: A 87 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 72 THR OG1 : rot -62:sc= 0.0502 USER MOD Set 3.2: A 94 THR OG1 : rot 180:sc= 0.0457 USER MOD Set 4.1: A 49 HIS : no HD1:sc= 0.0442 X(o=0.53,f=0.28) USER MOD Set 4.2: A 68 SER OG : rot 99:sc= 0.284 USER MOD Set 4.3: A 73 TYR OH : rot -174:sc= 0.204 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0879 (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 -55:sc= 0.118 USER MOD Single : A 13 HIS : no HD1:sc=-0.00086 X(o=-0.00086,f=0) USER MOD Single : A 17 SER OG : rot 180:sc=-0.00602 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.0802 K(o=-0.08,f=-2.1!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -0.172 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -160:sc= 0 USER MOD Single : A 63 MET CE :methyl 144:sc= -0.699 (180deg=-2.14!) USER MOD Single : A 69 SER OG : rot -42:sc= -0.668 USER MOD Single : A 70 SER OG : rot -52:sc= 0.521 USER MOD Single : A 71 THR OG1 : rot 63:sc= 0.443 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.132 USER MOD Single : A 79 CYS SG : rot 180:sc= -0.215 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot -165:sc= 1.68 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0276) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 45:sc= 0.655 USER MOD Single : A 107 SER OG : rot 18:sc= 0.641 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.809 -30.306 -0.135 1.00 0.00 N ATOM 2 CA GLY A 1 -13.360 -30.276 -0.066 1.00 0.00 C ATOM 3 C GLY A 1 -12.842 -30.461 1.346 1.00 0.00 C ATOM 4 O GLY A 1 -13.621 -30.519 2.297 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.112 -31.105 -0.728 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.200 -30.417 0.822 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.155 -29.417 -0.549 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.953 -31.060 -0.704 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.000 -29.325 -0.460 1.00 0.00 H new ATOM 8 N SER A 2 -11.524 -30.557 1.484 1.00 0.00 N ATOM 9 CA SER A 2 -10.903 -30.743 2.790 1.00 0.00 C ATOM 10 C SER A 2 -9.938 -29.603 3.101 1.00 0.00 C ATOM 11 O SER A 2 -8.949 -29.402 2.396 1.00 0.00 O ATOM 12 CB SER A 2 -10.162 -32.081 2.841 1.00 0.00 C ATOM 13 OG SER A 2 -11.025 -33.126 3.257 1.00 0.00 O ATOM 0 H SER A 2 -10.865 -30.509 0.707 1.00 0.00 H new ATOM 0 HA SER A 2 -11.692 -30.744 3.542 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.754 -32.312 1.857 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.318 -32.007 3.527 1.00 0.00 H new ATOM 0 HG SER A 2 -10.529 -33.971 3.280 1.00 0.00 H new ATOM 19 N SER A 3 -10.234 -28.859 4.162 1.00 0.00 N ATOM 20 CA SER A 3 -9.395 -27.735 4.565 1.00 0.00 C ATOM 21 C SER A 3 -9.136 -26.801 3.387 1.00 0.00 C ATOM 22 O SER A 3 -8.020 -26.318 3.198 1.00 0.00 O ATOM 23 CB SER A 3 -8.067 -28.241 5.132 1.00 0.00 C ATOM 24 OG SER A 3 -8.238 -28.769 6.436 1.00 0.00 O ATOM 0 H SER A 3 -11.047 -29.014 4.758 1.00 0.00 H new ATOM 0 HA SER A 3 -9.923 -27.177 5.338 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.657 -29.009 4.476 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.345 -27.425 5.158 1.00 0.00 H new ATOM 0 HG SER A 3 -7.376 -29.087 6.776 1.00 0.00 H new ATOM 30 N GLY A 4 -10.176 -26.552 2.597 1.00 0.00 N ATOM 31 CA GLY A 4 -10.041 -25.677 1.447 1.00 0.00 C ATOM 32 C GLY A 4 -9.933 -24.216 1.839 1.00 0.00 C ATOM 33 O GLY A 4 -10.797 -23.409 1.496 1.00 0.00 O ATOM 0 H GLY A 4 -11.109 -26.940 2.733 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.156 -25.964 0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.900 -25.811 0.790 1.00 0.00 H new ATOM 37 N SER A 5 -8.871 -23.876 2.562 1.00 0.00 N ATOM 38 CA SER A 5 -8.656 -22.504 3.006 1.00 0.00 C ATOM 39 C SER A 5 -7.214 -22.072 2.758 1.00 0.00 C ATOM 40 O SER A 5 -6.388 -22.861 2.298 1.00 0.00 O ATOM 41 CB SER A 5 -8.992 -22.368 4.492 1.00 0.00 C ATOM 42 OG SER A 5 -10.390 -22.242 4.689 1.00 0.00 O ATOM 0 H SER A 5 -8.146 -24.532 2.853 1.00 0.00 H new ATOM 0 HA SER A 5 -9.316 -21.855 2.430 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.622 -23.239 5.033 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.483 -21.497 4.905 1.00 0.00 H new ATOM 0 HG SER A 5 -10.579 -22.158 5.647 1.00 0.00 H new ATOM 48 N SER A 6 -6.918 -20.813 3.066 1.00 0.00 N ATOM 49 CA SER A 6 -5.578 -20.274 2.873 1.00 0.00 C ATOM 50 C SER A 6 -5.062 -20.588 1.472 1.00 0.00 C ATOM 51 O SER A 6 -3.888 -20.906 1.287 1.00 0.00 O ATOM 52 CB SER A 6 -4.620 -20.843 3.921 1.00 0.00 C ATOM 53 OG SER A 6 -3.432 -20.075 3.998 1.00 0.00 O ATOM 0 H SER A 6 -7.589 -20.148 3.450 1.00 0.00 H new ATOM 0 HA SER A 6 -5.629 -19.191 2.988 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.110 -20.859 4.895 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.374 -21.875 3.671 1.00 0.00 H new ATOM 0 HG SER A 6 -3.023 -20.015 3.109 1.00 0.00 H new ATOM 59 N GLY A 7 -5.950 -20.496 0.486 1.00 0.00 N ATOM 60 CA GLY A 7 -5.567 -20.774 -0.886 1.00 0.00 C ATOM 61 C GLY A 7 -4.664 -19.702 -1.464 1.00 0.00 C ATOM 62 O GLY A 7 -4.663 -18.562 -0.996 1.00 0.00 O ATOM 0 H GLY A 7 -6.928 -20.234 0.613 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.057 -21.737 -0.930 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.463 -20.860 -1.500 1.00 0.00 H new ATOM 66 N LEU A 8 -3.893 -20.066 -2.482 1.00 0.00 N ATOM 67 CA LEU A 8 -2.980 -19.127 -3.125 1.00 0.00 C ATOM 68 C LEU A 8 -3.517 -18.688 -4.483 1.00 0.00 C ATOM 69 O LEU A 8 -3.333 -19.375 -5.486 1.00 0.00 O ATOM 70 CB LEU A 8 -1.598 -19.762 -3.291 1.00 0.00 C ATOM 71 CG LEU A 8 -0.415 -18.794 -3.329 1.00 0.00 C ATOM 72 CD1 LEU A 8 0.018 -18.425 -1.918 1.00 0.00 C ATOM 73 CD2 LEU A 8 0.746 -19.401 -4.104 1.00 0.00 C ATOM 0 H LEU A 8 -3.881 -21.005 -2.880 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.895 -18.247 -2.487 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.442 -20.463 -2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.596 -20.343 -4.213 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.730 -17.884 -3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.861 -17.736 -1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.812 -17.949 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.316 -19.326 -1.381 1.00 0.00 H new ATOM 0 HD21 LEU A 8 1.579 -18.698 -4.121 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.061 -20.326 -3.622 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.430 -19.614 -5.125 1.00 0.00 H new ATOM 85 N ALA A 9 -4.181 -17.536 -4.507 1.00 0.00 N ATOM 86 CA ALA A 9 -4.741 -17.003 -5.742 1.00 0.00 C ATOM 87 C ALA A 9 -5.157 -15.546 -5.572 1.00 0.00 C ATOM 88 O ALA A 9 -5.981 -15.205 -4.723 1.00 0.00 O ATOM 89 CB ALA A 9 -5.927 -17.844 -6.190 1.00 0.00 C ATOM 0 H ALA A 9 -4.344 -16.955 -3.685 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.969 -17.046 -6.510 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.335 -17.434 -7.114 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -5.602 -18.870 -6.361 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.695 -17.831 -5.417 1.00 0.00 H new ATOM 95 N PRO A 10 -4.575 -14.663 -6.397 1.00 0.00 N ATOM 96 CA PRO A 10 -4.870 -13.228 -6.357 1.00 0.00 C ATOM 97 C PRO A 10 -6.277 -12.911 -6.852 1.00 0.00 C ATOM 98 O PRO A 10 -6.673 -13.290 -7.955 1.00 0.00 O ATOM 99 CB PRO A 10 -3.823 -12.624 -7.297 1.00 0.00 C ATOM 100 CG PRO A 10 -3.471 -13.729 -8.231 1.00 0.00 C ATOM 101 CD PRO A 10 -3.583 -14.998 -7.433 1.00 0.00 C ATOM 0 HA PRO A 10 -4.830 -12.832 -5.342 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.222 -11.764 -7.834 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.949 -12.278 -6.746 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.145 -13.746 -9.087 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -2.462 -13.602 -8.623 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.913 -15.833 -8.051 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -2.626 -15.284 -6.996 1.00 0.00 H new ATOM 109 N PRO A 11 -7.052 -12.199 -6.021 1.00 0.00 N ATOM 110 CA PRO A 11 -8.427 -11.815 -6.354 1.00 0.00 C ATOM 111 C PRO A 11 -8.484 -10.768 -7.462 1.00 0.00 C ATOM 112 O PRO A 11 -9.300 -10.864 -8.378 1.00 0.00 O ATOM 113 CB PRO A 11 -8.961 -11.235 -5.042 1.00 0.00 C ATOM 114 CG PRO A 11 -7.749 -10.764 -4.315 1.00 0.00 C ATOM 115 CD PRO A 11 -6.645 -11.713 -4.691 1.00 0.00 C ATOM 0 HA PRO A 11 -9.006 -12.658 -6.730 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -9.656 -10.416 -5.225 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.500 -11.988 -4.467 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.498 -9.742 -4.597 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.915 -10.766 -3.238 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.678 -11.211 -4.725 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.556 -12.530 -3.975 1.00 0.00 H new ATOM 123 N ARG A 12 -7.612 -9.769 -7.370 1.00 0.00 N ATOM 124 CA ARG A 12 -7.564 -8.704 -8.365 1.00 0.00 C ATOM 125 C ARG A 12 -6.163 -8.105 -8.453 1.00 0.00 C ATOM 126 O ARG A 12 -5.230 -8.583 -7.807 1.00 0.00 O ATOM 127 CB ARG A 12 -8.577 -7.610 -8.021 1.00 0.00 C ATOM 128 CG ARG A 12 -10.019 -8.092 -8.029 1.00 0.00 C ATOM 129 CD ARG A 12 -10.508 -8.363 -9.443 1.00 0.00 C ATOM 130 NE ARG A 12 -11.111 -7.179 -10.050 1.00 0.00 N ATOM 131 CZ ARG A 12 -11.983 -7.230 -11.051 1.00 0.00 C ATOM 132 NH1 ARG A 12 -12.351 -8.400 -11.555 1.00 0.00 N ATOM 133 NH2 ARG A 12 -12.488 -6.109 -11.550 1.00 0.00 N ATOM 0 H ARG A 12 -6.930 -9.675 -6.617 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.818 -9.134 -9.334 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.343 -7.206 -7.036 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.472 -6.792 -8.734 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.103 -9.001 -7.433 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.657 -7.343 -7.560 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.673 -8.700 -10.057 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.237 -9.173 -9.425 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.848 -6.263 -9.685 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.964 -9.264 -11.174 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.021 -8.436 -12.324 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.207 -5.207 -11.165 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.157 -6.149 -12.319 1.00 0.00 H new ATOM 147 N HIS A 13 -6.024 -7.055 -9.257 1.00 0.00 N ATOM 148 CA HIS A 13 -4.737 -6.391 -9.430 1.00 0.00 C ATOM 149 C HIS A 13 -4.683 -5.094 -8.627 1.00 0.00 C ATOM 150 O HIS A 13 -5.716 -4.502 -8.314 1.00 0.00 O ATOM 151 CB HIS A 13 -4.484 -6.099 -10.909 1.00 0.00 C ATOM 152 CG HIS A 13 -4.523 -7.320 -11.776 1.00 0.00 C ATOM 153 ND1 HIS A 13 -4.824 -7.280 -13.121 1.00 0.00 N ATOM 154 CD2 HIS A 13 -4.294 -8.622 -11.482 1.00 0.00 C ATOM 155 CE1 HIS A 13 -4.781 -8.504 -13.616 1.00 0.00 C ATOM 156 NE2 HIS A 13 -4.461 -9.337 -12.642 1.00 0.00 N ATOM 0 H HIS A 13 -6.786 -6.646 -9.798 1.00 0.00 H new ATOM 0 HA HIS A 13 -3.959 -7.059 -9.061 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.230 -5.388 -11.263 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -3.511 -5.619 -11.015 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -4.029 -9.023 -10.515 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -4.975 -8.777 -14.643 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -4.355 -10.347 -12.736 1.00 0.00 H new ATOM 165 N LEU A 14 -3.472 -4.659 -8.297 1.00 0.00 N ATOM 166 CA LEU A 14 -3.283 -3.433 -7.530 1.00 0.00 C ATOM 167 C LEU A 14 -3.027 -2.246 -8.454 1.00 0.00 C ATOM 168 O LEU A 14 -2.703 -2.420 -9.628 1.00 0.00 O ATOM 169 CB LEU A 14 -2.117 -3.594 -6.552 1.00 0.00 C ATOM 170 CG LEU A 14 -2.472 -4.138 -5.168 1.00 0.00 C ATOM 171 CD1 LEU A 14 -1.211 -4.443 -4.375 1.00 0.00 C ATOM 172 CD2 LEU A 14 -3.351 -3.149 -4.416 1.00 0.00 C ATOM 0 H LEU A 14 -2.607 -5.137 -8.548 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.197 -3.241 -6.968 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.380 -4.258 -7.003 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.637 -2.623 -6.427 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.030 -5.066 -5.295 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.483 -4.829 -3.393 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.618 -5.188 -4.906 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.626 -3.531 -4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.594 -3.553 -3.433 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.819 -2.205 -4.299 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.271 -2.980 -4.976 1.00 0.00 H new ATOM 184 N GLY A 15 -3.172 -1.040 -7.914 1.00 0.00 N ATOM 185 CA GLY A 15 -2.950 0.158 -8.703 1.00 0.00 C ATOM 186 C GLY A 15 -2.366 1.292 -7.884 1.00 0.00 C ATOM 187 O GLY A 15 -2.702 1.458 -6.712 1.00 0.00 O ATOM 0 H GLY A 15 -3.439 -0.871 -6.944 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.277 -0.074 -9.528 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.894 0.480 -9.142 1.00 0.00 H new ATOM 191 N PHE A 16 -1.487 2.074 -8.503 1.00 0.00 N ATOM 192 CA PHE A 16 -0.853 3.197 -7.823 1.00 0.00 C ATOM 193 C PHE A 16 -1.010 4.482 -8.631 1.00 0.00 C ATOM 194 O PHE A 16 -0.609 4.550 -9.793 1.00 0.00 O ATOM 195 CB PHE A 16 0.631 2.907 -7.589 1.00 0.00 C ATOM 196 CG PHE A 16 0.878 1.724 -6.698 1.00 0.00 C ATOM 197 CD1 PHE A 16 0.820 1.854 -5.320 1.00 0.00 C ATOM 198 CD2 PHE A 16 1.168 0.481 -7.238 1.00 0.00 C ATOM 199 CE1 PHE A 16 1.046 0.767 -4.496 1.00 0.00 C ATOM 200 CE2 PHE A 16 1.394 -0.609 -6.419 1.00 0.00 C ATOM 201 CZ PHE A 16 1.334 -0.466 -5.047 1.00 0.00 C ATOM 0 H PHE A 16 -1.198 1.950 -9.473 1.00 0.00 H new ATOM 0 HA PHE A 16 -1.346 3.331 -6.860 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.115 2.735 -8.550 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.100 3.787 -7.149 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.595 2.816 -4.884 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.218 0.363 -8.310 1.00 0.00 H new ATOM 0 HE1 PHE A 16 0.997 0.882 -3.423 1.00 0.00 H new ATOM 0 HE2 PHE A 16 1.618 -1.573 -6.852 1.00 0.00 H new ATOM 0 HZ PHE A 16 1.512 -1.317 -4.406 1.00 0.00 H new ATOM 211 N SER A 17 -1.598 5.498 -8.007 1.00 0.00 N ATOM 212 CA SER A 17 -1.813 6.779 -8.669 1.00 0.00 C ATOM 213 C SER A 17 -1.385 7.934 -7.769 1.00 0.00 C ATOM 214 O SER A 17 -0.970 7.726 -6.629 1.00 0.00 O ATOM 215 CB SER A 17 -3.286 6.937 -9.054 1.00 0.00 C ATOM 216 OG SER A 17 -3.549 6.347 -10.315 1.00 0.00 O ATOM 0 H SER A 17 -1.934 5.459 -7.045 1.00 0.00 H new ATOM 0 HA SER A 17 -1.204 6.800 -9.573 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.916 6.474 -8.294 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.546 7.995 -9.083 1.00 0.00 H new ATOM 0 HG SER A 17 -4.497 6.460 -10.538 1.00 0.00 H new ATOM 222 N ASP A 18 -1.488 9.152 -8.290 1.00 0.00 N ATOM 223 CA ASP A 18 -1.112 10.341 -7.535 1.00 0.00 C ATOM 224 C ASP A 18 0.113 10.070 -6.668 1.00 0.00 C ATOM 225 O ASP A 18 0.213 10.563 -5.544 1.00 0.00 O ATOM 226 CB ASP A 18 -2.278 10.806 -6.661 1.00 0.00 C ATOM 227 CG ASP A 18 -2.272 12.305 -6.437 1.00 0.00 C ATOM 228 OD1 ASP A 18 -2.483 13.052 -7.415 1.00 0.00 O ATOM 229 OD2 ASP A 18 -2.056 12.732 -5.283 1.00 0.00 O ATOM 0 H ASP A 18 -1.829 9.341 -9.232 1.00 0.00 H new ATOM 0 HA ASP A 18 -0.864 11.129 -8.246 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.218 10.515 -7.130 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -2.232 10.298 -5.698 1.00 0.00 H new ATOM 234 N VAL A 19 1.043 9.281 -7.197 1.00 0.00 N ATOM 235 CA VAL A 19 2.262 8.943 -6.471 1.00 0.00 C ATOM 236 C VAL A 19 3.186 10.151 -6.358 1.00 0.00 C ATOM 237 O VAL A 19 3.279 10.963 -7.278 1.00 0.00 O ATOM 238 CB VAL A 19 3.022 7.792 -7.156 1.00 0.00 C ATOM 239 CG1 VAL A 19 4.313 7.487 -6.412 1.00 0.00 C ATOM 240 CG2 VAL A 19 2.144 6.553 -7.245 1.00 0.00 C ATOM 0 H VAL A 19 0.976 8.864 -8.125 1.00 0.00 H new ATOM 0 HA VAL A 19 1.959 8.625 -5.473 1.00 0.00 H new ATOM 0 HB VAL A 19 3.279 8.102 -8.169 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.836 6.671 -6.911 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.947 8.374 -6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.082 7.197 -5.387 1.00 0.00 H new ATOM 0 HG21 VAL A 19 2.697 5.750 -7.732 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.855 6.239 -6.242 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.250 6.782 -7.825 1.00 0.00 H new ATOM 250 N SER A 20 3.869 10.262 -5.223 1.00 0.00 N ATOM 251 CA SER A 20 4.785 11.372 -4.987 1.00 0.00 C ATOM 252 C SER A 20 6.121 10.870 -4.448 1.00 0.00 C ATOM 253 O SER A 20 6.343 9.664 -4.332 1.00 0.00 O ATOM 254 CB SER A 20 4.168 12.369 -4.004 1.00 0.00 C ATOM 255 OG SER A 20 2.915 12.837 -4.471 1.00 0.00 O ATOM 0 H SER A 20 3.805 9.597 -4.452 1.00 0.00 H new ATOM 0 HA SER A 20 4.963 11.873 -5.939 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.043 11.895 -3.031 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.845 13.212 -3.863 1.00 0.00 H new ATOM 0 HG SER A 20 2.541 13.471 -3.824 1.00 0.00 H new ATOM 261 N HIS A 21 7.008 11.803 -4.121 1.00 0.00 N ATOM 262 CA HIS A 21 8.323 11.457 -3.593 1.00 0.00 C ATOM 263 C HIS A 21 8.260 11.224 -2.087 1.00 0.00 C ATOM 264 O HIS A 21 9.167 10.632 -1.502 1.00 0.00 O ATOM 265 CB HIS A 21 9.331 12.563 -3.909 1.00 0.00 C ATOM 266 CG HIS A 21 8.726 13.933 -3.938 1.00 0.00 C ATOM 267 ND1 HIS A 21 8.042 14.431 -5.027 1.00 0.00 N ATOM 268 CD2 HIS A 21 8.705 14.911 -3.002 1.00 0.00 C ATOM 269 CE1 HIS A 21 7.627 15.656 -4.760 1.00 0.00 C ATOM 270 NE2 HIS A 21 8.016 15.971 -3.538 1.00 0.00 N ATOM 0 H HIS A 21 6.841 12.805 -4.212 1.00 0.00 H new ATOM 0 HA HIS A 21 8.648 10.533 -4.072 1.00 0.00 H new ATOM 0 HB2 HIS A 21 10.127 12.542 -3.165 1.00 0.00 H new ATOM 0 HB3 HIS A 21 9.792 12.358 -4.875 1.00 0.00 H new ATOM 0 HD2 HIS A 21 9.147 14.866 -2.018 1.00 0.00 H new ATOM 0 HE1 HIS A 21 7.065 16.292 -5.428 1.00 0.00 H new ATOM 0 HE2 HIS A 21 7.834 16.858 -3.068 1.00 0.00 H new ATOM 279 N ASP A 22 7.185 11.696 -1.465 1.00 0.00 N ATOM 280 CA ASP A 22 7.004 11.539 -0.026 1.00 0.00 C ATOM 281 C ASP A 22 5.623 10.974 0.289 1.00 0.00 C ATOM 282 O ASP A 22 5.111 11.141 1.396 1.00 0.00 O ATOM 283 CB ASP A 22 7.194 12.881 0.682 1.00 0.00 C ATOM 284 CG ASP A 22 5.909 13.683 0.758 1.00 0.00 C ATOM 285 OD1 ASP A 22 5.104 13.604 -0.193 1.00 0.00 O ATOM 286 OD2 ASP A 22 5.709 14.388 1.768 1.00 0.00 O ATOM 0 H ASP A 22 6.426 12.190 -1.934 1.00 0.00 H new ATOM 0 HA ASP A 22 7.755 10.837 0.336 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.570 12.707 1.690 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.951 13.462 0.156 1.00 0.00 H new ATOM 291 N ALA A 23 5.024 10.307 -0.692 1.00 0.00 N ATOM 292 CA ALA A 23 3.702 9.717 -0.519 1.00 0.00 C ATOM 293 C ALA A 23 3.306 8.891 -1.737 1.00 0.00 C ATOM 294 O ALA A 23 3.886 9.036 -2.813 1.00 0.00 O ATOM 295 CB ALA A 23 2.669 10.803 -0.257 1.00 0.00 C ATOM 0 H ALA A 23 5.433 10.162 -1.615 1.00 0.00 H new ATOM 0 HA ALA A 23 3.739 9.051 0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.687 10.348 -0.130 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.936 11.348 0.648 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.643 11.492 -1.101 1.00 0.00 H new ATOM 301 N ALA A 24 2.314 8.023 -1.561 1.00 0.00 N ATOM 302 CA ALA A 24 1.840 7.174 -2.647 1.00 0.00 C ATOM 303 C ALA A 24 0.433 6.659 -2.367 1.00 0.00 C ATOM 304 O ALA A 24 0.179 6.057 -1.323 1.00 0.00 O ATOM 305 CB ALA A 24 2.797 6.011 -2.865 1.00 0.00 C ATOM 0 H ALA A 24 1.824 7.890 -0.677 1.00 0.00 H new ATOM 0 HA ALA A 24 1.804 7.775 -3.556 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.430 5.386 -3.679 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.785 6.395 -3.120 1.00 0.00 H new ATOM 0 HB3 ALA A 24 2.863 5.418 -1.953 1.00 0.00 H new ATOM 311 N ARG A 25 -0.478 6.899 -3.304 1.00 0.00 N ATOM 312 CA ARG A 25 -1.861 6.460 -3.156 1.00 0.00 C ATOM 313 C ARG A 25 -2.059 5.074 -3.762 1.00 0.00 C ATOM 314 O ARG A 25 -1.847 4.872 -4.957 1.00 0.00 O ATOM 315 CB ARG A 25 -2.809 7.460 -3.820 1.00 0.00 C ATOM 316 CG ARG A 25 -4.277 7.190 -3.533 1.00 0.00 C ATOM 317 CD ARG A 25 -5.158 8.333 -4.012 1.00 0.00 C ATOM 318 NE ARG A 25 -6.574 7.976 -3.998 1.00 0.00 N ATOM 319 CZ ARG A 25 -7.511 8.660 -4.644 1.00 0.00 C ATOM 320 NH1 ARG A 25 -7.184 9.732 -5.352 1.00 0.00 N ATOM 321 NH2 ARG A 25 -8.779 8.273 -4.583 1.00 0.00 N ATOM 0 H ARG A 25 -0.284 7.395 -4.174 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.088 6.407 -2.091 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.560 8.465 -3.480 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.648 7.439 -4.898 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.581 6.265 -4.023 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.419 7.044 -2.462 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.998 9.205 -3.377 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.866 8.617 -5.023 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.859 7.156 -3.462 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.211 10.033 -5.401 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.906 10.256 -5.847 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.035 7.449 -4.039 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.497 8.800 -5.080 1.00 0.00 H new ATOM 335 N VAL A 26 -2.467 4.122 -2.928 1.00 0.00 N ATOM 336 CA VAL A 26 -2.694 2.755 -3.382 1.00 0.00 C ATOM 337 C VAL A 26 -4.184 2.434 -3.433 1.00 0.00 C ATOM 338 O VAL A 26 -4.911 2.655 -2.465 1.00 0.00 O ATOM 339 CB VAL A 26 -1.992 1.736 -2.465 1.00 0.00 C ATOM 340 CG1 VAL A 26 -2.247 2.067 -1.003 1.00 0.00 C ATOM 341 CG2 VAL A 26 -2.454 0.323 -2.789 1.00 0.00 C ATOM 0 H VAL A 26 -2.647 4.272 -1.935 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.274 2.680 -4.385 1.00 0.00 H new ATOM 0 HB VAL A 26 -0.918 1.793 -2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.743 1.336 -0.371 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.863 3.063 -0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.319 2.040 -0.805 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.948 -0.385 -2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.531 0.250 -2.641 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.214 0.091 -3.826 1.00 0.00 H new ATOM 351 N PHE A 27 -4.632 1.911 -4.570 1.00 0.00 N ATOM 352 CA PHE A 27 -6.036 1.559 -4.748 1.00 0.00 C ATOM 353 C PHE A 27 -6.174 0.183 -5.393 1.00 0.00 C ATOM 354 O PHE A 27 -5.237 -0.320 -6.013 1.00 0.00 O ATOM 355 CB PHE A 27 -6.741 2.611 -5.607 1.00 0.00 C ATOM 356 CG PHE A 27 -6.231 2.672 -7.019 1.00 0.00 C ATOM 357 CD1 PHE A 27 -6.663 1.758 -7.966 1.00 0.00 C ATOM 358 CD2 PHE A 27 -5.320 3.645 -7.398 1.00 0.00 C ATOM 359 CE1 PHE A 27 -6.194 1.813 -9.265 1.00 0.00 C ATOM 360 CE2 PHE A 27 -4.848 3.705 -8.696 1.00 0.00 C ATOM 361 CZ PHE A 27 -5.287 2.788 -9.631 1.00 0.00 C ATOM 0 H PHE A 27 -4.043 1.722 -5.381 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.505 1.528 -3.765 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.810 2.398 -5.624 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -6.619 3.589 -5.142 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.374 0.994 -7.686 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -4.975 4.365 -6.671 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.537 1.093 -9.994 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.137 4.468 -8.978 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.922 2.833 -10.646 1.00 0.00 H new ATOM 371 N TRP A 28 -7.347 -0.419 -5.241 1.00 0.00 N ATOM 372 CA TRP A 28 -7.609 -1.738 -5.808 1.00 0.00 C ATOM 373 C TRP A 28 -8.974 -1.779 -6.484 1.00 0.00 C ATOM 374 O TRP A 28 -9.777 -0.858 -6.336 1.00 0.00 O ATOM 375 CB TRP A 28 -7.534 -2.808 -4.717 1.00 0.00 C ATOM 376 CG TRP A 28 -8.178 -2.391 -3.430 1.00 0.00 C ATOM 377 CD1 TRP A 28 -9.420 -2.744 -2.983 1.00 0.00 C ATOM 378 CD2 TRP A 28 -7.615 -1.541 -2.425 1.00 0.00 C ATOM 379 NE1 TRP A 28 -9.662 -2.165 -1.761 1.00 0.00 N ATOM 380 CE2 TRP A 28 -8.569 -1.423 -1.397 1.00 0.00 C ATOM 381 CE3 TRP A 28 -6.396 -0.871 -2.293 1.00 0.00 C ATOM 382 CZ2 TRP A 28 -8.341 -0.660 -0.254 1.00 0.00 C ATOM 383 CZ3 TRP A 28 -6.171 -0.114 -1.159 1.00 0.00 C ATOM 384 CH2 TRP A 28 -7.139 -0.014 -0.151 1.00 0.00 C ATOM 0 H TRP A 28 -8.132 -0.016 -4.730 1.00 0.00 H new ATOM 0 HA TRP A 28 -6.846 -1.941 -6.560 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -8.014 -3.718 -5.077 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -6.488 -3.052 -4.529 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -10.110 -3.384 -3.513 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -10.516 -2.270 -1.214 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -5.643 -0.943 -3.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -9.087 -0.581 0.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.233 0.410 -1.048 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -6.933 0.584 0.724 1.00 0.00 H new ATOM 395 N GLU A 29 -9.231 -2.851 -7.226 1.00 0.00 N ATOM 396 CA GLU A 29 -10.500 -3.010 -7.926 1.00 0.00 C ATOM 397 C GLU A 29 -11.566 -3.583 -6.996 1.00 0.00 C ATOM 398 O GLU A 29 -12.608 -4.057 -7.446 1.00 0.00 O ATOM 399 CB GLU A 29 -10.327 -3.920 -9.144 1.00 0.00 C ATOM 400 CG GLU A 29 -9.376 -3.363 -10.189 1.00 0.00 C ATOM 401 CD GLU A 29 -7.940 -3.795 -9.961 1.00 0.00 C ATOM 402 OE1 GLU A 29 -7.710 -5.007 -9.763 1.00 0.00 O ATOM 403 OE2 GLU A 29 -7.047 -2.923 -9.979 1.00 0.00 O ATOM 0 H GLU A 29 -8.577 -3.623 -7.358 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.826 -2.025 -8.262 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.960 -4.891 -8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.301 -4.087 -9.604 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.697 -3.690 -11.178 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.430 -2.274 -10.180 1.00 0.00 H new ATOM 410 N GLY A 30 -11.295 -3.538 -5.695 1.00 0.00 N ATOM 411 CA GLY A 30 -12.238 -4.056 -4.722 1.00 0.00 C ATOM 412 C GLY A 30 -12.085 -5.548 -4.504 1.00 0.00 C ATOM 413 O GLY A 30 -11.035 -6.120 -4.795 1.00 0.00 O ATOM 0 H GLY A 30 -10.439 -3.152 -5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.099 -3.537 -3.774 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.254 -3.843 -5.056 1.00 0.00 H new ATOM 417 N ALA A 31 -13.134 -6.181 -3.989 1.00 0.00 N ATOM 418 CA ALA A 31 -13.112 -7.615 -3.732 1.00 0.00 C ATOM 419 C ALA A 31 -14.448 -8.258 -4.088 1.00 0.00 C ATOM 420 O ALA A 31 -15.508 -7.639 -3.989 1.00 0.00 O ATOM 421 CB ALA A 31 -12.765 -7.885 -2.275 1.00 0.00 C ATOM 0 H ALA A 31 -14.011 -5.722 -3.741 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.345 -8.060 -4.365 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.752 -8.960 -2.097 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.783 -7.469 -2.052 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.511 -7.420 -1.631 1.00 0.00 H new ATOM 427 N PRO A 32 -14.400 -9.529 -4.513 1.00 0.00 N ATOM 428 CA PRO A 32 -15.598 -10.283 -4.893 1.00 0.00 C ATOM 429 C PRO A 32 -16.479 -10.615 -3.693 1.00 0.00 C ATOM 430 O PRO A 32 -17.546 -11.210 -3.840 1.00 0.00 O ATOM 431 CB PRO A 32 -15.031 -11.563 -5.511 1.00 0.00 C ATOM 432 CG PRO A 32 -13.687 -11.722 -4.887 1.00 0.00 C ATOM 433 CD PRO A 32 -13.171 -10.328 -4.656 1.00 0.00 C ATOM 0 HA PRO A 32 -16.239 -9.716 -5.568 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -15.669 -12.421 -5.300 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -14.957 -11.480 -6.595 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -13.755 -12.274 -3.949 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -13.018 -12.283 -5.539 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.549 -10.273 -3.762 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.561 -9.982 -5.491 1.00 0.00 H new ATOM 441 N ARG A 33 -16.025 -10.225 -2.506 1.00 0.00 N ATOM 442 CA ARG A 33 -16.771 -10.483 -1.281 1.00 0.00 C ATOM 443 C ARG A 33 -16.746 -9.264 -0.363 1.00 0.00 C ATOM 444 O ARG A 33 -15.837 -8.436 -0.414 1.00 0.00 O ATOM 445 CB ARG A 33 -16.192 -11.696 -0.551 1.00 0.00 C ATOM 446 CG ARG A 33 -14.689 -11.619 -0.339 1.00 0.00 C ATOM 447 CD ARG A 33 -14.130 -12.938 0.171 1.00 0.00 C ATOM 448 NE ARG A 33 -13.740 -13.826 -0.920 1.00 0.00 N ATOM 449 CZ ARG A 33 -13.431 -15.107 -0.751 1.00 0.00 C ATOM 450 NH1 ARG A 33 -13.468 -15.647 0.459 1.00 0.00 N ATOM 451 NH2 ARG A 33 -13.085 -15.851 -1.794 1.00 0.00 N ATOM 0 H ARG A 33 -15.144 -9.729 -2.367 1.00 0.00 H new ATOM 0 HA ARG A 33 -17.806 -10.691 -1.553 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -16.682 -11.795 0.417 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -16.425 -12.597 -1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -14.201 -11.354 -1.277 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -14.461 -10.826 0.373 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.266 -12.744 0.807 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.877 -13.433 0.791 1.00 0.00 H new ATOM 0 HE ARG A 33 -13.703 -13.442 -1.864 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -13.734 -15.079 1.263 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.230 -16.631 0.586 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.056 -15.439 -2.727 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.848 -16.834 -1.663 1.00 0.00 H new ATOM 465 N PRO A 34 -17.769 -9.149 0.497 1.00 0.00 N ATOM 466 CA PRO A 34 -17.888 -8.035 1.442 1.00 0.00 C ATOM 467 C PRO A 34 -16.838 -8.098 2.547 1.00 0.00 C ATOM 468 O PRO A 34 -16.498 -9.177 3.033 1.00 0.00 O ATOM 469 CB PRO A 34 -19.291 -8.214 2.027 1.00 0.00 C ATOM 470 CG PRO A 34 -19.582 -9.667 1.875 1.00 0.00 C ATOM 471 CD PRO A 34 -18.889 -10.099 0.613 1.00 0.00 C ATOM 0 HA PRO A 34 -17.733 -7.071 0.957 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -19.325 -7.911 3.073 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -20.022 -7.606 1.495 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -19.216 -10.230 2.733 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -20.655 -9.845 1.811 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -18.537 -11.129 0.680 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -19.553 -10.044 -0.249 1.00 0.00 H new ATOM 479 N VAL A 35 -16.329 -6.935 2.939 1.00 0.00 N ATOM 480 CA VAL A 35 -15.319 -6.858 3.988 1.00 0.00 C ATOM 481 C VAL A 35 -15.704 -5.832 5.048 1.00 0.00 C ATOM 482 O VAL A 35 -16.303 -4.801 4.740 1.00 0.00 O ATOM 483 CB VAL A 35 -13.938 -6.490 3.412 1.00 0.00 C ATOM 484 CG1 VAL A 35 -14.048 -5.285 2.490 1.00 0.00 C ATOM 485 CG2 VAL A 35 -12.947 -6.224 4.535 1.00 0.00 C ATOM 0 H VAL A 35 -16.599 -6.033 2.546 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.263 -7.846 4.446 1.00 0.00 H new ATOM 0 HB VAL A 35 -13.571 -7.333 2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.063 -5.040 2.093 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -14.724 -5.517 1.667 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -14.436 -4.433 3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.977 -5.966 4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.306 -5.398 5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -12.847 -7.118 5.151 1.00 0.00 H new ATOM 495 N ARG A 36 -15.357 -6.122 6.298 1.00 0.00 N ATOM 496 CA ARG A 36 -15.668 -5.225 7.405 1.00 0.00 C ATOM 497 C ARG A 36 -14.574 -4.176 7.577 1.00 0.00 C ATOM 498 O ARG A 36 -14.854 -3.014 7.875 1.00 0.00 O ATOM 499 CB ARG A 36 -15.837 -6.020 8.701 1.00 0.00 C ATOM 500 CG ARG A 36 -14.567 -6.722 9.154 1.00 0.00 C ATOM 501 CD ARG A 36 -14.782 -7.474 10.459 1.00 0.00 C ATOM 502 NE ARG A 36 -13.546 -8.075 10.954 1.00 0.00 N ATOM 503 CZ ARG A 36 -12.569 -7.380 11.525 1.00 0.00 C ATOM 504 NH1 ARG A 36 -12.683 -6.067 11.672 1.00 0.00 N ATOM 505 NH2 ARG A 36 -11.475 -7.998 11.950 1.00 0.00 N ATOM 0 H ARG A 36 -14.861 -6.971 6.569 1.00 0.00 H new ATOM 0 HA ARG A 36 -16.604 -4.715 7.176 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -16.171 -5.346 9.490 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -16.623 -6.762 8.562 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.239 -7.418 8.382 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.770 -5.989 9.282 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -15.179 -6.791 11.210 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.530 -8.253 10.310 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.427 -9.083 10.856 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -13.523 -5.588 11.346 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.931 -5.536 12.111 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.384 -9.008 11.838 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.725 -7.463 12.388 1.00 0.00 H new ATOM 519 N LEU A 37 -13.327 -4.593 7.389 1.00 0.00 N ATOM 520 CA LEU A 37 -12.189 -3.689 7.525 1.00 0.00 C ATOM 521 C LEU A 37 -11.063 -4.085 6.575 1.00 0.00 C ATOM 522 O LEU A 37 -10.947 -5.246 6.182 1.00 0.00 O ATOM 523 CB LEU A 37 -11.680 -3.692 8.967 1.00 0.00 C ATOM 524 CG LEU A 37 -11.039 -2.392 9.455 1.00 0.00 C ATOM 525 CD1 LEU A 37 -11.253 -2.220 10.951 1.00 0.00 C ATOM 526 CD2 LEU A 37 -9.555 -2.370 9.120 1.00 0.00 C ATOM 0 H LEU A 37 -13.078 -5.551 7.142 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.521 -2.684 7.266 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.515 -3.931 9.625 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -10.951 -4.495 9.072 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.519 -1.558 8.942 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.790 -1.290 11.280 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -12.321 -2.189 11.165 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.801 -3.058 11.482 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -9.116 -1.438 9.475 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -9.060 -3.212 9.604 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.425 -2.445 8.040 1.00 0.00 H new ATOM 538 N VAL A 38 -10.234 -3.112 6.210 1.00 0.00 N ATOM 539 CA VAL A 38 -9.115 -3.359 5.309 1.00 0.00 C ATOM 540 C VAL A 38 -7.821 -2.780 5.869 1.00 0.00 C ATOM 541 O VAL A 38 -7.662 -1.562 5.962 1.00 0.00 O ATOM 542 CB VAL A 38 -9.373 -2.756 3.915 1.00 0.00 C ATOM 543 CG1 VAL A 38 -8.227 -3.084 2.971 1.00 0.00 C ATOM 544 CG2 VAL A 38 -10.696 -3.257 3.355 1.00 0.00 C ATOM 0 H VAL A 38 -10.317 -2.145 6.525 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.016 -4.441 5.216 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.433 -1.672 4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.427 -2.650 1.991 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.299 -2.672 3.368 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.132 -4.166 2.876 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.862 -2.821 2.370 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -10.668 -4.343 3.271 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.507 -2.966 4.022 1.00 0.00 H new ATOM 554 N ARG A 39 -6.897 -3.660 6.240 1.00 0.00 N ATOM 555 CA ARG A 39 -5.616 -3.237 6.791 1.00 0.00 C ATOM 556 C ARG A 39 -4.545 -3.191 5.705 1.00 0.00 C ATOM 557 O ARG A 39 -4.426 -4.111 4.896 1.00 0.00 O ATOM 558 CB ARG A 39 -5.180 -4.184 7.911 1.00 0.00 C ATOM 559 CG ARG A 39 -5.620 -3.733 9.295 1.00 0.00 C ATOM 560 CD ARG A 39 -5.139 -4.693 10.372 1.00 0.00 C ATOM 561 NE ARG A 39 -5.978 -4.640 11.566 1.00 0.00 N ATOM 562 CZ ARG A 39 -6.077 -5.637 12.439 1.00 0.00 C ATOM 563 NH1 ARG A 39 -5.393 -6.757 12.252 1.00 0.00 N ATOM 564 NH2 ARG A 39 -6.863 -5.514 13.501 1.00 0.00 N ATOM 0 H ARG A 39 -7.012 -4.671 6.169 1.00 0.00 H new ATOM 0 HA ARG A 39 -5.739 -2.234 7.199 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -5.586 -5.176 7.715 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -4.094 -4.275 7.896 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.230 -2.735 9.495 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.707 -3.663 9.328 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.135 -5.709 9.977 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -4.111 -4.451 10.640 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.517 -3.792 11.739 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -4.789 -6.855 11.436 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.471 -7.520 12.924 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.391 -4.654 13.647 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -6.939 -6.279 14.171 1.00 0.00 H new ATOM 578 N VAL A 40 -3.767 -2.112 5.694 1.00 0.00 N ATOM 579 CA VAL A 40 -2.706 -1.946 4.708 1.00 0.00 C ATOM 580 C VAL A 40 -1.364 -1.688 5.383 1.00 0.00 C ATOM 581 O VAL A 40 -1.236 -0.786 6.213 1.00 0.00 O ATOM 582 CB VAL A 40 -3.014 -0.786 3.742 1.00 0.00 C ATOM 583 CG1 VAL A 40 -1.894 -0.626 2.725 1.00 0.00 C ATOM 584 CG2 VAL A 40 -4.348 -1.012 3.047 1.00 0.00 C ATOM 0 H VAL A 40 -3.852 -1.341 6.356 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.652 -2.876 4.142 1.00 0.00 H new ATOM 0 HB VAL A 40 -3.082 0.136 4.319 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.129 0.198 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.959 -0.415 3.244 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.790 -1.546 2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.550 -0.183 2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -4.311 -1.943 2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.141 -1.072 3.792 1.00 0.00 H new ATOM 594 N THR A 41 -0.363 -2.485 5.023 1.00 0.00 N ATOM 595 CA THR A 41 0.970 -2.344 5.595 1.00 0.00 C ATOM 596 C THR A 41 2.002 -2.039 4.515 1.00 0.00 C ATOM 597 O THR A 41 2.145 -2.790 3.549 1.00 0.00 O ATOM 598 CB THR A 41 1.396 -3.618 6.349 1.00 0.00 C ATOM 599 OG1 THR A 41 1.192 -4.769 5.522 1.00 0.00 O ATOM 600 CG2 THR A 41 0.607 -3.770 7.641 1.00 0.00 C ATOM 0 H THR A 41 -0.450 -3.235 4.338 1.00 0.00 H new ATOM 0 HA THR A 41 0.925 -1.512 6.298 1.00 0.00 H new ATOM 0 HB THR A 41 2.454 -3.531 6.595 1.00 0.00 H new ATOM 0 HG1 THR A 41 1.467 -5.574 6.008 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.924 -4.676 8.157 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.787 -2.906 8.281 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.457 -3.836 7.412 1.00 0.00 H new ATOM 608 N TYR A 42 2.719 -0.933 4.684 1.00 0.00 N ATOM 609 CA TYR A 42 3.737 -0.528 3.722 1.00 0.00 C ATOM 610 C TYR A 42 5.118 -0.504 4.368 1.00 0.00 C ATOM 611 O TYR A 42 5.249 -0.306 5.576 1.00 0.00 O ATOM 612 CB TYR A 42 3.406 0.851 3.149 1.00 0.00 C ATOM 613 CG TYR A 42 3.111 1.892 4.206 1.00 0.00 C ATOM 614 CD1 TYR A 42 4.131 2.658 4.757 1.00 0.00 C ATOM 615 CD2 TYR A 42 1.814 2.108 4.653 1.00 0.00 C ATOM 616 CE1 TYR A 42 3.866 3.609 5.724 1.00 0.00 C ATOM 617 CE2 TYR A 42 1.540 3.057 5.618 1.00 0.00 C ATOM 618 CZ TYR A 42 2.570 3.805 6.150 1.00 0.00 C ATOM 619 OH TYR A 42 2.301 4.752 7.113 1.00 0.00 O ATOM 0 H TYR A 42 2.614 -0.301 5.478 1.00 0.00 H new ATOM 0 HA TYR A 42 3.747 -1.258 2.913 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.243 1.192 2.539 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.544 0.763 2.487 1.00 0.00 H new ATOM 0 HD1 TYR A 42 5.147 2.508 4.424 1.00 0.00 H new ATOM 0 HD2 TYR A 42 1.006 1.524 4.239 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.670 4.195 6.144 1.00 0.00 H new ATOM 0 HE2 TYR A 42 0.526 3.213 5.954 1.00 0.00 H new ATOM 0 HH TYR A 42 1.339 4.765 7.300 1.00 0.00 H new ATOM 629 N VAL A 43 6.149 -0.708 3.553 1.00 0.00 N ATOM 630 CA VAL A 43 7.522 -0.709 4.043 1.00 0.00 C ATOM 631 C VAL A 43 8.493 -0.258 2.958 1.00 0.00 C ATOM 632 O VAL A 43 8.272 -0.502 1.772 1.00 0.00 O ATOM 633 CB VAL A 43 7.939 -2.106 4.542 1.00 0.00 C ATOM 634 CG1 VAL A 43 7.930 -3.106 3.396 1.00 0.00 C ATOM 635 CG2 VAL A 43 9.310 -2.049 5.199 1.00 0.00 C ATOM 0 H VAL A 43 6.059 -0.875 2.551 1.00 0.00 H new ATOM 0 HA VAL A 43 7.561 -0.007 4.876 1.00 0.00 H new ATOM 0 HB VAL A 43 7.217 -2.437 5.288 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.227 -4.087 3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.927 -3.166 2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.630 -2.782 2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.589 -3.044 5.546 1.00 0.00 H new ATOM 0 HG22 VAL A 43 10.046 -1.697 4.476 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.279 -1.365 6.047 1.00 0.00 H new ATOM 645 N SER A 44 9.570 0.402 3.373 1.00 0.00 N ATOM 646 CA SER A 44 10.574 0.891 2.436 1.00 0.00 C ATOM 647 C SER A 44 11.421 -0.258 1.897 1.00 0.00 C ATOM 648 O SER A 44 11.414 -1.359 2.447 1.00 0.00 O ATOM 649 CB SER A 44 11.473 1.927 3.113 1.00 0.00 C ATOM 650 OG SER A 44 12.293 1.324 4.099 1.00 0.00 O ATOM 0 H SER A 44 9.769 0.610 4.351 1.00 0.00 H new ATOM 0 HA SER A 44 10.055 1.361 1.600 1.00 0.00 H new ATOM 0 HB2 SER A 44 12.098 2.415 2.365 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.859 2.702 3.571 1.00 0.00 H new ATOM 0 HG SER A 44 12.859 2.007 4.516 1.00 0.00 H new ATOM 656 N SER A 45 12.149 0.006 0.817 1.00 0.00 N ATOM 657 CA SER A 45 12.998 -1.006 0.201 1.00 0.00 C ATOM 658 C SER A 45 13.967 -1.596 1.220 1.00 0.00 C ATOM 659 O SER A 45 14.190 -1.021 2.285 1.00 0.00 O ATOM 660 CB SER A 45 13.776 -0.405 -0.971 1.00 0.00 C ATOM 661 OG SER A 45 14.686 -1.345 -1.515 1.00 0.00 O ATOM 0 H SER A 45 12.168 0.913 0.350 1.00 0.00 H new ATOM 0 HA SER A 45 12.357 -1.806 -0.170 1.00 0.00 H new ATOM 0 HB2 SER A 45 13.080 -0.078 -1.744 1.00 0.00 H new ATOM 0 HB3 SER A 45 14.318 0.479 -0.636 1.00 0.00 H new ATOM 0 HG SER A 45 15.169 -0.937 -2.263 1.00 0.00 H new ATOM 667 N GLU A 46 14.540 -2.748 0.885 1.00 0.00 N ATOM 668 CA GLU A 46 15.485 -3.417 1.772 1.00 0.00 C ATOM 669 C GLU A 46 15.058 -3.273 3.230 1.00 0.00 C ATOM 670 O GLU A 46 15.895 -3.146 4.123 1.00 0.00 O ATOM 671 CB GLU A 46 16.891 -2.843 1.581 1.00 0.00 C ATOM 672 CG GLU A 46 17.003 -1.374 1.950 1.00 0.00 C ATOM 673 CD GLU A 46 18.359 -0.788 1.606 1.00 0.00 C ATOM 674 OE1 GLU A 46 19.353 -1.172 2.257 1.00 0.00 O ATOM 675 OE2 GLU A 46 18.426 0.053 0.686 1.00 0.00 O ATOM 0 H GLU A 46 14.367 -3.237 0.007 1.00 0.00 H new ATOM 0 HA GLU A 46 15.495 -4.477 1.518 1.00 0.00 H new ATOM 0 HB2 GLU A 46 17.594 -3.416 2.186 1.00 0.00 H new ATOM 0 HB3 GLU A 46 17.189 -2.971 0.540 1.00 0.00 H new ATOM 0 HG2 GLU A 46 16.226 -0.813 1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 46 16.821 -1.257 3.018 1.00 0.00 H new ATOM 682 N GLY A 47 13.749 -3.294 3.462 1.00 0.00 N ATOM 683 CA GLY A 47 13.233 -3.164 4.812 1.00 0.00 C ATOM 684 C GLY A 47 13.492 -1.792 5.403 1.00 0.00 C ATOM 685 O GLY A 47 14.090 -0.933 4.756 1.00 0.00 O ATOM 0 H GLY A 47 13.037 -3.399 2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.160 -3.358 4.808 1.00 0.00 H new ATOM 0 HA3 GLY A 47 13.691 -3.922 5.447 1.00 0.00 H new ATOM 689 N GLY A 48 13.038 -1.585 6.635 1.00 0.00 N ATOM 690 CA GLY A 48 13.232 -0.305 7.291 1.00 0.00 C ATOM 691 C GLY A 48 11.922 0.351 7.681 1.00 0.00 C ATOM 692 O GLY A 48 11.040 -0.296 8.247 1.00 0.00 O ATOM 0 H GLY A 48 12.540 -2.280 7.190 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.844 -0.446 8.182 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.784 0.360 6.627 1.00 0.00 H new ATOM 696 N HIS A 49 11.795 1.640 7.381 1.00 0.00 N ATOM 697 CA HIS A 49 10.583 2.384 7.705 1.00 0.00 C ATOM 698 C HIS A 49 9.347 1.672 7.164 1.00 0.00 C ATOM 699 O HIS A 49 9.268 1.359 5.976 1.00 0.00 O ATOM 700 CB HIS A 49 10.661 3.800 7.134 1.00 0.00 C ATOM 701 CG HIS A 49 9.336 4.496 7.077 1.00 0.00 C ATOM 702 ND1 HIS A 49 8.703 4.814 5.894 1.00 0.00 N ATOM 703 CD2 HIS A 49 8.522 4.935 8.066 1.00 0.00 C ATOM 704 CE1 HIS A 49 7.559 5.420 6.158 1.00 0.00 C ATOM 705 NE2 HIS A 49 7.425 5.505 7.469 1.00 0.00 N ATOM 0 H HIS A 49 12.516 2.190 6.914 1.00 0.00 H new ATOM 0 HA HIS A 49 10.501 2.442 8.790 1.00 0.00 H new ATOM 0 HB2 HIS A 49 11.347 4.391 7.741 1.00 0.00 H new ATOM 0 HB3 HIS A 49 11.082 3.755 6.130 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.702 4.852 9.128 1.00 0.00 H new ATOM 0 HE1 HIS A 49 6.853 5.784 5.426 1.00 0.00 H new ATOM 0 HE2 HIS A 49 6.635 5.926 7.958 1.00 0.00 H new ATOM 714 N SER A 50 8.384 1.417 8.045 1.00 0.00 N ATOM 715 CA SER A 50 7.153 0.737 7.656 1.00 0.00 C ATOM 716 C SER A 50 6.001 1.135 8.573 1.00 0.00 C ATOM 717 O SER A 50 6.200 1.417 9.754 1.00 0.00 O ATOM 718 CB SER A 50 7.350 -0.780 7.694 1.00 0.00 C ATOM 719 OG SER A 50 7.587 -1.231 9.016 1.00 0.00 O ATOM 0 H SER A 50 8.432 1.671 9.032 1.00 0.00 H new ATOM 0 HA SER A 50 6.905 1.038 6.638 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.466 -1.275 7.291 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.189 -1.057 7.056 1.00 0.00 H new ATOM 0 HG SER A 50 7.708 -2.204 9.013 1.00 0.00 H new ATOM 725 N GLY A 51 4.792 1.155 8.019 1.00 0.00 N ATOM 726 CA GLY A 51 3.624 1.519 8.800 1.00 0.00 C ATOM 727 C GLY A 51 2.414 0.672 8.462 1.00 0.00 C ATOM 728 O GLY A 51 2.494 -0.232 7.630 1.00 0.00 O ATOM 0 H GLY A 51 4.601 0.926 7.044 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.853 1.414 9.861 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.388 2.569 8.628 1.00 0.00 H new ATOM 732 N GLN A 52 1.290 0.963 9.109 1.00 0.00 N ATOM 733 CA GLN A 52 0.058 0.219 8.874 1.00 0.00 C ATOM 734 C GLN A 52 -1.160 1.126 9.011 1.00 0.00 C ATOM 735 O GLN A 52 -1.361 1.762 10.045 1.00 0.00 O ATOM 736 CB GLN A 52 -0.050 -0.952 9.853 1.00 0.00 C ATOM 737 CG GLN A 52 -1.360 -1.714 9.747 1.00 0.00 C ATOM 738 CD GLN A 52 -1.546 -2.715 10.870 1.00 0.00 C ATOM 739 OE1 GLN A 52 -1.784 -2.339 12.019 1.00 0.00 O ATOM 740 NE2 GLN A 52 -1.439 -3.998 10.545 1.00 0.00 N ATOM 0 H GLN A 52 1.207 1.709 9.800 1.00 0.00 H new ATOM 0 HA GLN A 52 0.086 -0.169 7.856 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.776 -1.640 9.676 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.061 -0.576 10.870 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.189 -1.006 9.755 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -1.396 -2.236 8.791 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.241 -4.265 9.581 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.555 -4.717 11.260 1.00 0.00 H new ATOM 749 N THR A 53 -1.972 1.180 7.959 1.00 0.00 N ATOM 750 CA THR A 53 -3.170 2.010 7.961 1.00 0.00 C ATOM 751 C THR A 53 -4.430 1.157 7.871 1.00 0.00 C ATOM 752 O THR A 53 -4.419 0.079 7.277 1.00 0.00 O ATOM 753 CB THR A 53 -3.159 3.015 6.793 1.00 0.00 C ATOM 754 OG1 THR A 53 -4.345 3.817 6.827 1.00 0.00 O ATOM 755 CG2 THR A 53 -3.068 2.292 5.458 1.00 0.00 C ATOM 0 H THR A 53 -1.821 0.659 7.095 1.00 0.00 H new ATOM 0 HA THR A 53 -3.173 2.559 8.903 1.00 0.00 H new ATOM 0 HB THR A 53 -2.284 3.656 6.901 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.330 4.455 6.083 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.062 3.022 4.649 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.150 1.705 5.424 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.927 1.630 5.343 1.00 0.00 H new ATOM 763 N GLU A 54 -5.515 1.647 8.463 1.00 0.00 N ATOM 764 CA GLU A 54 -6.783 0.928 8.449 1.00 0.00 C ATOM 765 C GLU A 54 -7.821 1.672 7.614 1.00 0.00 C ATOM 766 O GLU A 54 -7.979 2.886 7.738 1.00 0.00 O ATOM 767 CB GLU A 54 -7.302 0.735 9.875 1.00 0.00 C ATOM 768 CG GLU A 54 -6.573 -0.352 10.646 1.00 0.00 C ATOM 769 CD GLU A 54 -5.122 -0.004 10.916 1.00 0.00 C ATOM 770 OE1 GLU A 54 -4.866 1.093 11.456 1.00 0.00 O ATOM 771 OE2 GLU A 54 -4.242 -0.826 10.586 1.00 0.00 O ATOM 0 H GLU A 54 -5.541 2.539 8.958 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.612 -0.049 7.998 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.210 1.677 10.417 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.364 0.492 9.836 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.084 -0.525 11.593 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.620 -1.285 10.084 1.00 0.00 H new ATOM 778 N ALA A 55 -8.527 0.934 6.763 1.00 0.00 N ATOM 779 CA ALA A 55 -9.551 1.523 5.909 1.00 0.00 C ATOM 780 C ALA A 55 -10.839 0.708 5.954 1.00 0.00 C ATOM 781 O ALA A 55 -10.834 -0.491 6.236 1.00 0.00 O ATOM 782 CB ALA A 55 -9.044 1.635 4.478 1.00 0.00 C ATOM 0 H ALA A 55 -8.408 -0.072 6.647 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.772 2.522 6.284 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.819 2.076 3.851 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.155 2.266 4.455 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.794 0.643 4.102 1.00 0.00 H new ATOM 788 N PRO A 56 -11.970 1.371 5.671 1.00 0.00 N ATOM 789 CA PRO A 56 -13.287 0.727 5.673 1.00 0.00 C ATOM 790 C PRO A 56 -13.455 -0.252 4.515 1.00 0.00 C ATOM 791 O PRO A 56 -12.937 -0.031 3.422 1.00 0.00 O ATOM 792 CB PRO A 56 -14.257 1.901 5.525 1.00 0.00 C ATOM 793 CG PRO A 56 -13.465 2.963 4.842 1.00 0.00 C ATOM 794 CD PRO A 56 -12.050 2.800 5.326 1.00 0.00 C ATOM 0 HA PRO A 56 -13.449 0.134 6.573 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.132 1.620 4.938 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.620 2.240 6.496 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -13.522 2.856 3.759 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -13.849 3.954 5.085 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.328 3.068 4.555 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.845 3.434 6.189 1.00 0.00 H new ATOM 802 N GLY A 57 -14.183 -1.336 4.764 1.00 0.00 N ATOM 803 CA GLY A 57 -14.407 -2.333 3.733 1.00 0.00 C ATOM 804 C GLY A 57 -14.960 -1.731 2.456 1.00 0.00 C ATOM 805 O GLY A 57 -14.958 -2.375 1.408 1.00 0.00 O ATOM 0 H GLY A 57 -14.622 -1.542 5.661 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.469 -2.843 3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.100 -3.087 4.106 1.00 0.00 H new ATOM 809 N ASN A 58 -15.435 -0.493 2.544 1.00 0.00 N ATOM 810 CA ASN A 58 -15.996 0.194 1.387 1.00 0.00 C ATOM 811 C ASN A 58 -14.997 1.193 0.810 1.00 0.00 C ATOM 812 O ASN A 58 -15.370 2.106 0.075 1.00 0.00 O ATOM 813 CB ASN A 58 -17.289 0.915 1.773 1.00 0.00 C ATOM 814 CG ASN A 58 -18.392 -0.047 2.167 1.00 0.00 C ATOM 815 OD1 ASN A 58 -19.170 -0.496 1.325 1.00 0.00 O ATOM 816 ND2 ASN A 58 -18.464 -0.369 3.454 1.00 0.00 N ATOM 0 H ASN A 58 -15.443 0.055 3.404 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.218 -0.553 0.625 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -17.090 1.594 2.602 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.625 1.526 0.935 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -19.185 -1.013 3.779 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -17.798 0.027 4.117 1.00 0.00 H new ATOM 823 N ALA A 59 -13.724 1.010 1.149 1.00 0.00 N ATOM 824 CA ALA A 59 -12.671 1.893 0.663 1.00 0.00 C ATOM 825 C ALA A 59 -11.799 1.189 -0.371 1.00 0.00 C ATOM 826 O ALA A 59 -11.071 0.249 -0.050 1.00 0.00 O ATOM 827 CB ALA A 59 -11.821 2.388 1.823 1.00 0.00 C ATOM 0 H ALA A 59 -13.398 0.259 1.757 1.00 0.00 H new ATOM 0 HA ALA A 59 -13.142 2.749 0.181 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -11.039 3.046 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -12.448 2.936 2.526 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -11.366 1.537 2.330 1.00 0.00 H new ATOM 833 N THR A 60 -11.877 1.649 -1.616 1.00 0.00 N ATOM 834 CA THR A 60 -11.096 1.062 -2.698 1.00 0.00 C ATOM 835 C THR A 60 -9.888 1.928 -3.037 1.00 0.00 C ATOM 836 O THR A 60 -9.379 1.889 -4.157 1.00 0.00 O ATOM 837 CB THR A 60 -11.949 0.872 -3.967 1.00 0.00 C ATOM 838 OG1 THR A 60 -12.568 2.111 -4.331 1.00 0.00 O ATOM 839 CG2 THR A 60 -13.017 -0.189 -3.748 1.00 0.00 C ATOM 0 H THR A 60 -12.473 2.426 -1.900 1.00 0.00 H new ATOM 0 HA THR A 60 -10.755 0.088 -2.349 1.00 0.00 H new ATOM 0 HB THR A 60 -11.293 0.543 -4.773 1.00 0.00 H new ATOM 0 HG1 THR A 60 -13.107 1.982 -5.139 1.00 0.00 H new ATOM 0 HG21 THR A 60 -13.606 -0.305 -4.658 1.00 0.00 H new ATOM 0 HG22 THR A 60 -12.542 -1.138 -3.500 1.00 0.00 H new ATOM 0 HG23 THR A 60 -13.669 0.115 -2.929 1.00 0.00 H new ATOM 847 N SER A 61 -9.434 2.709 -2.062 1.00 0.00 N ATOM 848 CA SER A 61 -8.287 3.587 -2.258 1.00 0.00 C ATOM 849 C SER A 61 -7.807 4.160 -0.928 1.00 0.00 C ATOM 850 O SER A 61 -8.608 4.610 -0.109 1.00 0.00 O ATOM 851 CB SER A 61 -8.646 4.725 -3.216 1.00 0.00 C ATOM 852 OG SER A 61 -9.887 5.313 -2.867 1.00 0.00 O ATOM 0 H SER A 61 -9.843 2.751 -1.129 1.00 0.00 H new ATOM 0 HA SER A 61 -7.480 2.997 -2.692 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.863 5.483 -3.196 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.695 4.344 -4.236 1.00 0.00 H new ATOM 0 HG SER A 61 -10.248 5.798 -3.638 1.00 0.00 H new ATOM 858 N ALA A 62 -6.495 4.140 -0.721 1.00 0.00 N ATOM 859 CA ALA A 62 -5.907 4.658 0.508 1.00 0.00 C ATOM 860 C ALA A 62 -4.530 5.259 0.248 1.00 0.00 C ATOM 861 O ALA A 62 -3.770 4.756 -0.579 1.00 0.00 O ATOM 862 CB ALA A 62 -5.816 3.558 1.555 1.00 0.00 C ATOM 0 H ALA A 62 -5.818 3.770 -1.389 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.554 5.450 0.885 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -5.375 3.960 2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -6.814 3.178 1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.193 2.747 1.177 1.00 0.00 H new ATOM 868 N MET A 63 -4.216 6.338 0.958 1.00 0.00 N ATOM 869 CA MET A 63 -2.929 7.006 0.803 1.00 0.00 C ATOM 870 C MET A 63 -1.915 6.473 1.809 1.00 0.00 C ATOM 871 O MET A 63 -2.284 5.868 2.817 1.00 0.00 O ATOM 872 CB MET A 63 -3.091 8.517 0.976 1.00 0.00 C ATOM 873 CG MET A 63 -3.994 9.155 -0.067 1.00 0.00 C ATOM 874 SD MET A 63 -3.553 10.869 -0.413 1.00 0.00 S ATOM 875 CE MET A 63 -1.822 10.694 -0.836 1.00 0.00 C ATOM 0 H MET A 63 -4.835 6.768 1.646 1.00 0.00 H new ATOM 0 HA MET A 63 -2.560 6.800 -0.202 1.00 0.00 H new ATOM 0 HB2 MET A 63 -3.496 8.720 1.968 1.00 0.00 H new ATOM 0 HB3 MET A 63 -2.109 8.987 0.930 1.00 0.00 H new ATOM 0 HG2 MET A 63 -3.942 8.577 -0.990 1.00 0.00 H new ATOM 0 HG3 MET A 63 -5.027 9.112 0.278 1.00 0.00 H new ATOM 0 HE1 MET A 63 -1.567 11.400 -1.626 1.00 0.00 H new ATOM 0 HE2 MET A 63 -1.210 10.897 0.043 1.00 0.00 H new ATOM 0 HE3 MET A 63 -1.633 9.678 -1.182 1.00 0.00 H new ATOM 885 N LEU A 64 -0.636 6.701 1.531 1.00 0.00 N ATOM 886 CA LEU A 64 0.432 6.243 2.412 1.00 0.00 C ATOM 887 C LEU A 64 1.517 7.307 2.552 1.00 0.00 C ATOM 888 O LEU A 64 1.761 8.084 1.630 1.00 0.00 O ATOM 889 CB LEU A 64 1.041 4.945 1.877 1.00 0.00 C ATOM 890 CG LEU A 64 0.048 3.877 1.420 1.00 0.00 C ATOM 891 CD1 LEU A 64 0.746 2.829 0.566 1.00 0.00 C ATOM 892 CD2 LEU A 64 -0.626 3.227 2.620 1.00 0.00 C ATOM 0 H LEU A 64 -0.314 7.200 0.702 1.00 0.00 H new ATOM 0 HA LEU A 64 0.002 6.057 3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.691 5.191 1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.673 4.516 2.655 1.00 0.00 H new ATOM 0 HG LEU A 64 -0.720 4.358 0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 64 0.023 2.077 0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.181 3.306 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.535 2.352 1.148 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.330 2.469 2.276 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.129 2.760 3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.161 3.985 3.192 1.00 0.00 H new ATOM 904 N GLY A 65 2.166 7.334 3.712 1.00 0.00 N ATOM 905 CA GLY A 65 3.218 8.305 3.951 1.00 0.00 C ATOM 906 C GLY A 65 3.275 8.754 5.397 1.00 0.00 C ATOM 907 O GLY A 65 2.481 8.325 6.235 1.00 0.00 O ATOM 0 H GLY A 65 1.982 6.701 4.490 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.178 7.872 3.670 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.060 9.173 3.310 1.00 0.00 H new ATOM 911 N PRO A 66 4.233 9.639 5.709 1.00 0.00 N ATOM 912 CA PRO A 66 5.184 10.157 4.720 1.00 0.00 C ATOM 913 C PRO A 66 6.177 9.096 4.259 1.00 0.00 C ATOM 914 O PRO A 66 6.856 8.470 5.074 1.00 0.00 O ATOM 915 CB PRO A 66 5.908 11.274 5.476 1.00 0.00 C ATOM 916 CG PRO A 66 5.789 10.899 6.913 1.00 0.00 C ATOM 917 CD PRO A 66 4.464 10.202 7.050 1.00 0.00 C ATOM 0 HA PRO A 66 4.684 10.492 3.811 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.952 11.346 5.171 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.451 12.244 5.281 1.00 0.00 H new ATOM 0 HG2 PRO A 66 6.607 10.245 7.215 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.834 11.781 7.552 1.00 0.00 H new ATOM 0 HD2 PRO A 66 4.497 9.424 7.812 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.673 10.895 7.336 1.00 0.00 H new ATOM 925 N LEU A 67 6.257 8.898 2.948 1.00 0.00 N ATOM 926 CA LEU A 67 7.169 7.912 2.378 1.00 0.00 C ATOM 927 C LEU A 67 8.468 8.570 1.925 1.00 0.00 C ATOM 928 O LEU A 67 8.669 9.769 2.117 1.00 0.00 O ATOM 929 CB LEU A 67 6.506 7.199 1.198 1.00 0.00 C ATOM 930 CG LEU A 67 5.051 6.777 1.400 1.00 0.00 C ATOM 931 CD1 LEU A 67 4.477 6.207 0.112 1.00 0.00 C ATOM 932 CD2 LEU A 67 4.941 5.763 2.530 1.00 0.00 C ATOM 0 H LEU A 67 5.702 9.407 2.260 1.00 0.00 H new ATOM 0 HA LEU A 67 7.405 7.181 3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.556 7.855 0.329 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.091 6.311 0.961 1.00 0.00 H new ATOM 0 HG LEU A 67 4.472 7.659 1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.440 5.912 0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.520 6.963 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.059 5.337 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.898 5.474 2.659 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.534 4.881 2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 67 5.312 6.206 3.454 1.00 0.00 H new ATOM 944 N SER A 68 9.348 7.777 1.320 1.00 0.00 N ATOM 945 CA SER A 68 10.629 8.281 0.841 1.00 0.00 C ATOM 946 C SER A 68 10.569 8.584 -0.653 1.00 0.00 C ATOM 947 O SER A 68 9.599 8.240 -1.329 1.00 0.00 O ATOM 948 CB SER A 68 11.738 7.266 1.123 1.00 0.00 C ATOM 949 OG SER A 68 12.152 7.326 2.477 1.00 0.00 O ATOM 0 H SER A 68 9.196 6.783 1.150 1.00 0.00 H new ATOM 0 HA SER A 68 10.849 9.206 1.373 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.383 6.262 0.892 1.00 0.00 H new ATOM 0 HB3 SER A 68 12.589 7.461 0.470 1.00 0.00 H new ATOM 0 HG SER A 68 11.714 6.611 2.985 1.00 0.00 H new ATOM 955 N SER A 69 11.613 9.230 -1.162 1.00 0.00 N ATOM 956 CA SER A 69 11.679 9.583 -2.575 1.00 0.00 C ATOM 957 C SER A 69 12.644 8.666 -3.320 1.00 0.00 C ATOM 958 O SER A 69 13.684 8.277 -2.788 1.00 0.00 O ATOM 959 CB SER A 69 12.114 11.041 -2.739 1.00 0.00 C ATOM 960 OG SER A 69 11.676 11.829 -1.646 1.00 0.00 O ATOM 0 H SER A 69 12.425 9.520 -0.617 1.00 0.00 H new ATOM 0 HA SER A 69 10.684 9.458 -3.002 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.200 11.093 -2.817 1.00 0.00 H new ATOM 0 HB3 SER A 69 11.708 11.443 -3.667 1.00 0.00 H new ATOM 0 HG SER A 69 10.756 11.584 -1.414 1.00 0.00 H new ATOM 966 N SER A 70 12.291 8.324 -4.555 1.00 0.00 N ATOM 967 CA SER A 70 13.123 7.449 -5.374 1.00 0.00 C ATOM 968 C SER A 70 13.453 6.160 -4.628 1.00 0.00 C ATOM 969 O SER A 70 14.558 5.628 -4.742 1.00 0.00 O ATOM 970 CB SER A 70 14.414 8.166 -5.773 1.00 0.00 C ATOM 971 OG SER A 70 15.150 7.403 -6.714 1.00 0.00 O ATOM 0 H SER A 70 11.435 8.639 -5.011 1.00 0.00 H new ATOM 0 HA SER A 70 12.564 7.194 -6.274 1.00 0.00 H new ATOM 0 HB2 SER A 70 14.176 9.141 -6.197 1.00 0.00 H new ATOM 0 HB3 SER A 70 15.024 8.344 -4.887 1.00 0.00 H new ATOM 0 HG SER A 70 15.275 6.493 -6.371 1.00 0.00 H new ATOM 977 N THR A 71 12.487 5.663 -3.862 1.00 0.00 N ATOM 978 CA THR A 71 12.674 4.437 -3.095 1.00 0.00 C ATOM 979 C THR A 71 11.498 3.486 -3.284 1.00 0.00 C ATOM 980 O THR A 71 10.338 3.886 -3.176 1.00 0.00 O ATOM 981 CB THR A 71 12.843 4.734 -1.593 1.00 0.00 C ATOM 982 OG1 THR A 71 13.944 5.627 -1.391 1.00 0.00 O ATOM 983 CG2 THR A 71 13.075 3.451 -0.811 1.00 0.00 C ATOM 0 H THR A 71 11.567 6.091 -3.756 1.00 0.00 H new ATOM 0 HA THR A 71 13.583 3.966 -3.469 1.00 0.00 H new ATOM 0 HB THR A 71 11.926 5.200 -1.232 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.754 6.485 -1.825 1.00 0.00 H new ATOM 0 HG21 THR A 71 13.192 3.686 0.247 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.222 2.785 -0.943 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.978 2.961 -1.175 1.00 0.00 H new ATOM 991 N THR A 72 11.804 2.223 -3.567 1.00 0.00 N ATOM 992 CA THR A 72 10.772 1.214 -3.771 1.00 0.00 C ATOM 993 C THR A 72 10.157 0.781 -2.445 1.00 0.00 C ATOM 994 O THR A 72 10.863 0.354 -1.532 1.00 0.00 O ATOM 995 CB THR A 72 11.333 -0.025 -4.493 1.00 0.00 C ATOM 996 OG1 THR A 72 12.026 0.372 -5.682 1.00 0.00 O ATOM 997 CG2 THR A 72 10.217 -0.995 -4.851 1.00 0.00 C ATOM 0 H THR A 72 12.758 1.875 -3.660 1.00 0.00 H new ATOM 0 HA THR A 72 10.002 1.670 -4.393 1.00 0.00 H new ATOM 0 HB THR A 72 12.027 -0.527 -3.819 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.398 0.804 -6.298 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.638 -1.862 -5.360 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.711 -1.319 -3.942 1.00 0.00 H new ATOM 0 HG23 THR A 72 9.502 -0.500 -5.508 1.00 0.00 H new ATOM 1005 N TYR A 73 8.837 0.892 -2.347 1.00 0.00 N ATOM 1006 CA TYR A 73 8.126 0.513 -1.131 1.00 0.00 C ATOM 1007 C TYR A 73 7.175 -0.650 -1.396 1.00 0.00 C ATOM 1008 O TYR A 73 6.428 -0.647 -2.376 1.00 0.00 O ATOM 1009 CB TYR A 73 7.347 1.707 -0.577 1.00 0.00 C ATOM 1010 CG TYR A 73 8.157 2.577 0.358 1.00 0.00 C ATOM 1011 CD1 TYR A 73 9.365 3.131 -0.049 1.00 0.00 C ATOM 1012 CD2 TYR A 73 7.716 2.845 1.647 1.00 0.00 C ATOM 1013 CE1 TYR A 73 10.109 3.926 0.801 1.00 0.00 C ATOM 1014 CE2 TYR A 73 8.452 3.640 2.504 1.00 0.00 C ATOM 1015 CZ TYR A 73 9.648 4.178 2.077 1.00 0.00 C ATOM 1016 OH TYR A 73 10.385 4.969 2.927 1.00 0.00 O ATOM 0 H TYR A 73 8.237 1.241 -3.095 1.00 0.00 H new ATOM 0 HA TYR A 73 8.863 0.195 -0.394 1.00 0.00 H new ATOM 0 HB2 TYR A 73 6.991 2.315 -1.408 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.466 1.342 -0.049 1.00 0.00 H new ATOM 0 HD1 TYR A 73 9.728 2.936 -1.047 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.781 2.424 1.986 1.00 0.00 H new ATOM 0 HE1 TYR A 73 11.046 4.348 0.469 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.093 3.839 3.503 1.00 0.00 H new ATOM 0 HH TYR A 73 9.973 4.966 3.816 1.00 0.00 H new ATOM 1026 N THR A 74 7.208 -1.645 -0.516 1.00 0.00 N ATOM 1027 CA THR A 74 6.350 -2.816 -0.653 1.00 0.00 C ATOM 1028 C THR A 74 5.038 -2.627 0.099 1.00 0.00 C ATOM 1029 O THR A 74 4.991 -2.737 1.324 1.00 0.00 O ATOM 1030 CB THR A 74 7.048 -4.087 -0.134 1.00 0.00 C ATOM 1031 OG1 THR A 74 8.284 -4.286 -0.829 1.00 0.00 O ATOM 1032 CG2 THR A 74 6.156 -5.306 -0.315 1.00 0.00 C ATOM 0 H THR A 74 7.820 -1.664 0.300 1.00 0.00 H new ATOM 0 HA THR A 74 6.142 -2.933 -1.717 1.00 0.00 H new ATOM 0 HB THR A 74 7.247 -3.957 0.930 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.722 -5.095 -0.492 1.00 0.00 H new ATOM 0 HG21 THR A 74 6.670 -6.192 0.059 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.228 -5.164 0.240 1.00 0.00 H new ATOM 0 HG23 THR A 74 5.930 -5.437 -1.373 1.00 0.00 H new ATOM 1040 N VAL A 75 3.972 -2.343 -0.643 1.00 0.00 N ATOM 1041 CA VAL A 75 2.657 -2.141 -0.046 1.00 0.00 C ATOM 1042 C VAL A 75 1.870 -3.446 0.005 1.00 0.00 C ATOM 1043 O VAL A 75 1.913 -4.245 -0.931 1.00 0.00 O ATOM 1044 CB VAL A 75 1.842 -1.092 -0.825 1.00 0.00 C ATOM 1045 CG1 VAL A 75 0.451 -0.944 -0.227 1.00 0.00 C ATOM 1046 CG2 VAL A 75 2.570 0.243 -0.841 1.00 0.00 C ATOM 0 H VAL A 75 3.993 -2.248 -1.658 1.00 0.00 H new ATOM 0 HA VAL A 75 2.822 -1.780 0.969 1.00 0.00 H new ATOM 0 HB VAL A 75 1.733 -1.433 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.110 -0.199 -0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.069 -1.901 -0.274 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.534 -0.626 0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.980 0.973 -1.396 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.711 0.593 0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.541 0.122 -1.321 1.00 0.00 H new ATOM 1056 N ARG A 76 1.151 -3.655 1.103 1.00 0.00 N ATOM 1057 CA ARG A 76 0.354 -4.863 1.276 1.00 0.00 C ATOM 1058 C ARG A 76 -1.060 -4.521 1.736 1.00 0.00 C ATOM 1059 O ARG A 76 -1.265 -4.064 2.861 1.00 0.00 O ATOM 1060 CB ARG A 76 1.019 -5.798 2.288 1.00 0.00 C ATOM 1061 CG ARG A 76 0.739 -7.270 2.034 1.00 0.00 C ATOM 1062 CD ARG A 76 1.887 -8.146 2.509 1.00 0.00 C ATOM 1063 NE ARG A 76 1.826 -9.488 1.936 1.00 0.00 N ATOM 1064 CZ ARG A 76 2.855 -10.327 1.917 1.00 0.00 C ATOM 1065 NH1 ARG A 76 4.020 -9.964 2.438 1.00 0.00 N ATOM 1066 NH2 ARG A 76 2.721 -11.531 1.378 1.00 0.00 N ATOM 0 H ARG A 76 1.104 -3.003 1.886 1.00 0.00 H new ATOM 0 HA ARG A 76 0.291 -5.368 0.312 1.00 0.00 H new ATOM 0 HB2 ARG A 76 2.096 -5.633 2.268 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.675 -5.539 3.289 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -0.178 -7.561 2.547 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.574 -7.431 0.969 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.834 -7.680 2.239 1.00 0.00 H new ATOM 0 HD3 ARG A 76 1.864 -8.215 3.597 1.00 0.00 H new ATOM 0 HE ARG A 76 0.944 -9.798 1.528 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.126 -9.039 2.854 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.809 -10.610 2.422 1.00 0.00 H new ATOM 0 HH21 ARG A 76 1.827 -11.814 0.977 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.512 -12.174 1.364 1.00 0.00 H new ATOM 1080 N VAL A 77 -2.033 -4.744 0.858 1.00 0.00 N ATOM 1081 CA VAL A 77 -3.428 -4.460 1.174 1.00 0.00 C ATOM 1082 C VAL A 77 -4.182 -5.736 1.529 1.00 0.00 C ATOM 1083 O VAL A 77 -4.459 -6.568 0.664 1.00 0.00 O ATOM 1084 CB VAL A 77 -4.140 -3.766 -0.002 1.00 0.00 C ATOM 1085 CG1 VAL A 77 -5.603 -3.516 0.331 1.00 0.00 C ATOM 1086 CG2 VAL A 77 -3.436 -2.465 -0.358 1.00 0.00 C ATOM 0 H VAL A 77 -1.881 -5.120 -0.078 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.427 -3.791 2.034 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.097 -4.425 -0.869 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.089 -3.025 -0.512 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.098 -4.466 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.672 -2.877 1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.952 -1.988 -1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -3.445 -1.798 0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.405 -2.675 -0.643 1.00 0.00 H new ATOM 1096 N THR A 78 -4.513 -5.886 2.808 1.00 0.00 N ATOM 1097 CA THR A 78 -5.235 -7.061 3.278 1.00 0.00 C ATOM 1098 C THR A 78 -6.649 -6.699 3.716 1.00 0.00 C ATOM 1099 O THR A 78 -6.843 -5.813 4.549 1.00 0.00 O ATOM 1100 CB THR A 78 -4.503 -7.737 4.453 1.00 0.00 C ATOM 1101 OG1 THR A 78 -3.161 -8.061 4.073 1.00 0.00 O ATOM 1102 CG2 THR A 78 -5.230 -9.000 4.888 1.00 0.00 C ATOM 0 H THR A 78 -4.292 -5.208 3.537 1.00 0.00 H new ATOM 0 HA THR A 78 -5.284 -7.757 2.441 1.00 0.00 H new ATOM 0 HB THR A 78 -4.485 -7.040 5.290 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.702 -8.489 4.826 1.00 0.00 H new ATOM 0 HG21 THR A 78 -4.695 -9.460 5.719 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.242 -8.747 5.204 1.00 0.00 H new ATOM 0 HG23 THR A 78 -5.275 -9.700 4.053 1.00 0.00 H new ATOM 1110 N CYS A 79 -7.634 -7.389 3.151 1.00 0.00 N ATOM 1111 CA CYS A 79 -9.032 -7.139 3.484 1.00 0.00 C ATOM 1112 C CYS A 79 -9.557 -8.195 4.451 1.00 0.00 C ATOM 1113 O CYS A 79 -9.825 -9.332 4.061 1.00 0.00 O ATOM 1114 CB CYS A 79 -9.885 -7.123 2.215 1.00 0.00 C ATOM 1115 SG CYS A 79 -9.390 -5.871 1.008 1.00 0.00 S ATOM 0 H CYS A 79 -7.490 -8.126 2.460 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.096 -6.165 3.968 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.836 -8.105 1.745 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.926 -6.954 2.492 1.00 0.00 H new ATOM 0 HG CYS A 79 -10.169 -5.938 -0.031 1.00 0.00 H new ATOM 1121 N LEU A 80 -9.701 -7.812 5.715 1.00 0.00 N ATOM 1122 CA LEU A 80 -10.193 -8.726 6.740 1.00 0.00 C ATOM 1123 C LEU A 80 -11.703 -8.907 6.629 1.00 0.00 C ATOM 1124 O LEU A 80 -12.473 -8.010 6.976 1.00 0.00 O ATOM 1125 CB LEU A 80 -9.830 -8.206 8.132 1.00 0.00 C ATOM 1126 CG LEU A 80 -8.477 -8.654 8.685 1.00 0.00 C ATOM 1127 CD1 LEU A 80 -8.409 -10.171 8.767 1.00 0.00 C ATOM 1128 CD2 LEU A 80 -7.344 -8.114 7.824 1.00 0.00 C ATOM 0 H LEU A 80 -9.484 -6.875 6.055 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.718 -9.695 6.586 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.847 -7.116 8.106 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -10.607 -8.520 8.829 1.00 0.00 H new ATOM 0 HG LEU A 80 -8.366 -8.251 9.692 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.439 -10.471 9.163 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.198 -10.536 9.425 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.542 -10.595 7.772 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.388 -8.443 8.232 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.451 -8.487 6.806 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.380 -7.025 7.817 1.00 0.00 H new ATOM 1140 N TYR A 81 -12.121 -10.071 6.147 1.00 0.00 N ATOM 1141 CA TYR A 81 -13.540 -10.370 5.990 1.00 0.00 C ATOM 1142 C TYR A 81 -14.155 -10.802 7.317 1.00 0.00 C ATOM 1143 O TYR A 81 -13.524 -11.474 8.134 1.00 0.00 O ATOM 1144 CB TYR A 81 -13.739 -11.465 4.941 1.00 0.00 C ATOM 1145 CG TYR A 81 -13.020 -11.195 3.639 1.00 0.00 C ATOM 1146 CD1 TYR A 81 -13.276 -10.043 2.906 1.00 0.00 C ATOM 1147 CD2 TYR A 81 -12.082 -12.092 3.142 1.00 0.00 C ATOM 1148 CE1 TYR A 81 -12.622 -9.793 1.716 1.00 0.00 C ATOM 1149 CE2 TYR A 81 -11.421 -11.849 1.954 1.00 0.00 C ATOM 1150 CZ TYR A 81 -11.695 -10.699 1.244 1.00 0.00 C ATOM 1151 OH TYR A 81 -11.039 -10.453 0.059 1.00 0.00 O ATOM 0 H TYR A 81 -11.497 -10.824 5.858 1.00 0.00 H new ATOM 0 HA TYR A 81 -14.042 -9.462 5.656 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -13.391 -12.414 5.348 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -14.805 -11.576 4.741 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -13.999 -9.330 3.274 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -11.866 -12.995 3.694 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.835 -8.893 1.158 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.693 -12.556 1.583 1.00 0.00 H new ATOM 0 HH TYR A 81 -10.952 -9.486 -0.072 1.00 0.00 H new ATOM 1161 N PRO A 82 -15.418 -10.409 7.539 1.00 0.00 N ATOM 1162 CA PRO A 82 -16.149 -10.746 8.764 1.00 0.00 C ATOM 1163 C PRO A 82 -16.492 -12.229 8.846 1.00 0.00 C ATOM 1164 O PRO A 82 -16.990 -12.706 9.865 1.00 0.00 O ATOM 1165 CB PRO A 82 -17.424 -9.906 8.658 1.00 0.00 C ATOM 1166 CG PRO A 82 -17.612 -9.686 7.197 1.00 0.00 C ATOM 1167 CD PRO A 82 -16.231 -9.607 6.609 1.00 0.00 C ATOM 0 HA PRO A 82 -15.561 -10.542 9.659 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -18.278 -10.426 9.093 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -17.321 -8.961 9.191 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -18.181 -10.501 6.750 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -18.169 -8.768 7.009 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -16.201 -10.012 5.597 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -15.877 -8.578 6.551 1.00 0.00 H new ATOM 1175 N GLY A 83 -16.223 -12.955 7.765 1.00 0.00 N ATOM 1176 CA GLY A 83 -16.510 -14.377 7.735 1.00 0.00 C ATOM 1177 C GLY A 83 -15.426 -15.201 8.401 1.00 0.00 C ATOM 1178 O GLY A 83 -15.708 -16.022 9.273 1.00 0.00 O ATOM 0 H GLY A 83 -15.811 -12.583 6.909 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -17.461 -14.563 8.233 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -16.624 -14.700 6.700 1.00 0.00 H new ATOM 1182 N GLY A 84 -14.181 -14.983 7.988 1.00 0.00 N ATOM 1183 CA GLY A 84 -13.070 -15.721 8.560 1.00 0.00 C ATOM 1184 C GLY A 84 -11.803 -15.590 7.738 1.00 0.00 C ATOM 1185 O GLY A 84 -10.727 -15.335 8.279 1.00 0.00 O ATOM 0 H GLY A 84 -13.922 -14.309 7.268 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.882 -15.362 9.572 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.340 -16.774 8.640 1.00 0.00 H new ATOM 1189 N GLY A 85 -11.929 -15.767 6.427 1.00 0.00 N ATOM 1190 CA GLY A 85 -10.777 -15.665 5.550 1.00 0.00 C ATOM 1191 C GLY A 85 -10.398 -14.227 5.255 1.00 0.00 C ATOM 1192 O GLY A 85 -10.997 -13.297 5.795 1.00 0.00 O ATOM 0 H GLY A 85 -12.808 -15.979 5.956 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -9.929 -16.174 6.008 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.990 -16.181 4.614 1.00 0.00 H new ATOM 1196 N SER A 86 -9.399 -14.044 4.397 1.00 0.00 N ATOM 1197 CA SER A 86 -8.938 -12.709 4.035 1.00 0.00 C ATOM 1198 C SER A 86 -7.948 -12.772 2.876 1.00 0.00 C ATOM 1199 O SER A 86 -7.122 -13.682 2.799 1.00 0.00 O ATOM 1200 CB SER A 86 -8.287 -12.027 5.241 1.00 0.00 C ATOM 1201 OG SER A 86 -7.064 -12.656 5.583 1.00 0.00 O ATOM 0 H SER A 86 -8.894 -14.803 3.940 1.00 0.00 H new ATOM 0 HA SER A 86 -9.803 -12.125 3.720 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.108 -10.976 5.016 1.00 0.00 H new ATOM 0 HB3 SER A 86 -8.967 -12.060 6.092 1.00 0.00 H new ATOM 0 HG SER A 86 -6.667 -12.201 6.355 1.00 0.00 H new ATOM 1207 N SER A 87 -8.037 -11.798 1.976 1.00 0.00 N ATOM 1208 CA SER A 87 -7.153 -11.743 0.818 1.00 0.00 C ATOM 1209 C SER A 87 -6.093 -10.660 0.995 1.00 0.00 C ATOM 1210 O SER A 87 -6.363 -9.594 1.548 1.00 0.00 O ATOM 1211 CB SER A 87 -7.960 -11.481 -0.455 1.00 0.00 C ATOM 1212 OG SER A 87 -8.594 -12.663 -0.909 1.00 0.00 O ATOM 0 H SER A 87 -8.713 -11.036 2.027 1.00 0.00 H new ATOM 0 HA SER A 87 -6.651 -12.707 0.729 1.00 0.00 H new ATOM 0 HB2 SER A 87 -8.710 -10.713 -0.263 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.302 -11.096 -1.234 1.00 0.00 H new ATOM 0 HG SER A 87 -9.105 -12.469 -1.723 1.00 0.00 H new ATOM 1218 N THR A 88 -4.883 -10.942 0.520 1.00 0.00 N ATOM 1219 CA THR A 88 -3.781 -9.994 0.625 1.00 0.00 C ATOM 1220 C THR A 88 -3.220 -9.648 -0.750 1.00 0.00 C ATOM 1221 O THR A 88 -2.711 -10.516 -1.460 1.00 0.00 O ATOM 1222 CB THR A 88 -2.646 -10.548 1.506 1.00 0.00 C ATOM 1223 OG1 THR A 88 -3.156 -10.905 2.795 1.00 0.00 O ATOM 1224 CG2 THR A 88 -1.532 -9.523 1.662 1.00 0.00 C ATOM 0 H THR A 88 -4.642 -11.819 0.059 1.00 0.00 H new ATOM 0 HA THR A 88 -4.183 -9.092 1.087 1.00 0.00 H new ATOM 0 HB THR A 88 -2.238 -11.434 1.019 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.240 -10.100 3.348 1.00 0.00 H new ATOM 0 HG21 THR A 88 -0.742 -9.937 2.288 1.00 0.00 H new ATOM 0 HG22 THR A 88 -1.126 -9.275 0.681 1.00 0.00 H new ATOM 0 HG23 THR A 88 -1.930 -8.622 2.128 1.00 0.00 H new ATOM 1232 N LEU A 89 -3.315 -8.376 -1.119 1.00 0.00 N ATOM 1233 CA LEU A 89 -2.816 -7.915 -2.410 1.00 0.00 C ATOM 1234 C LEU A 89 -1.478 -7.199 -2.252 1.00 0.00 C ATOM 1235 O LEU A 89 -1.396 -6.142 -1.627 1.00 0.00 O ATOM 1236 CB LEU A 89 -3.832 -6.980 -3.068 1.00 0.00 C ATOM 1237 CG LEU A 89 -5.038 -7.654 -3.724 1.00 0.00 C ATOM 1238 CD1 LEU A 89 -6.179 -6.662 -3.891 1.00 0.00 C ATOM 1239 CD2 LEU A 89 -4.649 -8.254 -5.067 1.00 0.00 C ATOM 0 H LEU A 89 -3.733 -7.645 -0.543 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.668 -8.787 -3.047 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.197 -6.283 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -3.315 -6.389 -3.824 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.377 -8.460 -3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.028 -7.160 -4.359 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -6.476 -6.281 -2.914 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -5.852 -5.834 -4.520 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.520 -8.729 -5.519 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.283 -7.466 -5.725 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.865 -8.997 -4.920 1.00 0.00 H new ATOM 1251 N THR A 90 -0.430 -7.783 -2.826 1.00 0.00 N ATOM 1252 CA THR A 90 0.905 -7.201 -2.750 1.00 0.00 C ATOM 1253 C THR A 90 1.174 -6.287 -3.939 1.00 0.00 C ATOM 1254 O THR A 90 0.874 -6.633 -5.081 1.00 0.00 O ATOM 1255 CB THR A 90 1.991 -8.292 -2.699 1.00 0.00 C ATOM 1256 OG1 THR A 90 1.946 -9.084 -3.892 1.00 0.00 O ATOM 1257 CG2 THR A 90 1.803 -9.187 -1.483 1.00 0.00 C ATOM 0 H THR A 90 -0.480 -8.658 -3.348 1.00 0.00 H new ATOM 0 HA THR A 90 0.944 -6.617 -1.830 1.00 0.00 H new ATOM 0 HB THR A 90 2.962 -7.803 -2.624 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.641 -9.774 -3.853 1.00 0.00 H new ATOM 0 HG21 THR A 90 2.582 -9.950 -1.469 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.867 -8.586 -0.576 1.00 0.00 H new ATOM 0 HG23 THR A 90 0.826 -9.667 -1.532 1.00 0.00 H new ATOM 1265 N GLY A 91 1.743 -5.117 -3.664 1.00 0.00 N ATOM 1266 CA GLY A 91 2.045 -4.171 -4.722 1.00 0.00 C ATOM 1267 C GLY A 91 3.206 -3.261 -4.374 1.00 0.00 C ATOM 1268 O GLY A 91 3.178 -2.572 -3.354 1.00 0.00 O ATOM 0 H GLY A 91 2.000 -4.808 -2.727 1.00 0.00 H new ATOM 0 HA2 GLY A 91 2.277 -4.716 -5.637 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.162 -3.566 -4.927 1.00 0.00 H new ATOM 1272 N ARG A 92 4.229 -3.259 -5.221 1.00 0.00 N ATOM 1273 CA ARG A 92 5.406 -2.429 -4.996 1.00 0.00 C ATOM 1274 C ARG A 92 5.321 -1.135 -5.799 1.00 0.00 C ATOM 1275 O ARG A 92 4.910 -1.138 -6.960 1.00 0.00 O ATOM 1276 CB ARG A 92 6.676 -3.194 -5.374 1.00 0.00 C ATOM 1277 CG ARG A 92 7.022 -4.315 -4.407 1.00 0.00 C ATOM 1278 CD ARG A 92 8.472 -4.750 -4.555 1.00 0.00 C ATOM 1279 NE ARG A 92 8.950 -5.470 -3.378 1.00 0.00 N ATOM 1280 CZ ARG A 92 10.163 -6.003 -3.284 1.00 0.00 C ATOM 1281 NH1 ARG A 92 11.017 -5.896 -4.293 1.00 0.00 N ATOM 1282 NH2 ARG A 92 10.524 -6.644 -2.180 1.00 0.00 N ATOM 0 H ARG A 92 4.267 -3.823 -6.070 1.00 0.00 H new ATOM 0 HA ARG A 92 5.444 -2.177 -3.936 1.00 0.00 H new ATOM 0 HB2 ARG A 92 6.554 -3.612 -6.373 1.00 0.00 H new ATOM 0 HB3 ARG A 92 7.511 -2.495 -5.420 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.843 -3.983 -3.384 1.00 0.00 H new ATOM 0 HG3 ARG A 92 6.365 -5.167 -4.585 1.00 0.00 H new ATOM 0 HD2 ARG A 92 8.572 -5.386 -5.434 1.00 0.00 H new ATOM 0 HD3 ARG A 92 9.098 -3.874 -4.723 1.00 0.00 H new ATOM 0 HE ARG A 92 8.317 -5.569 -2.584 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.743 -5.404 -5.143 1.00 0.00 H new ATOM 0 HH12 ARG A 92 11.948 -6.306 -4.219 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.870 -6.728 -1.402 1.00 0.00 H new ATOM 0 HH22 ARG A 92 11.456 -7.053 -2.109 1.00 0.00 H new ATOM 1296 N VAL A 93 5.712 -0.029 -5.174 1.00 0.00 N ATOM 1297 CA VAL A 93 5.681 1.273 -5.831 1.00 0.00 C ATOM 1298 C VAL A 93 6.974 2.042 -5.588 1.00 0.00 C ATOM 1299 O VAL A 93 7.494 2.069 -4.472 1.00 0.00 O ATOM 1300 CB VAL A 93 4.492 2.120 -5.340 1.00 0.00 C ATOM 1301 CG1 VAL A 93 4.516 2.246 -3.824 1.00 0.00 C ATOM 1302 CG2 VAL A 93 4.509 3.492 -5.997 1.00 0.00 C ATOM 0 H VAL A 93 6.054 -0.008 -4.213 1.00 0.00 H new ATOM 0 HA VAL A 93 5.569 1.087 -6.899 1.00 0.00 H new ATOM 0 HB VAL A 93 3.568 1.617 -5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 93 3.669 2.848 -3.495 1.00 0.00 H new ATOM 0 HG12 VAL A 93 4.453 1.255 -3.375 1.00 0.00 H new ATOM 0 HG13 VAL A 93 5.444 2.726 -3.513 1.00 0.00 H new ATOM 0 HG21 VAL A 93 3.662 4.077 -5.639 1.00 0.00 H new ATOM 0 HG22 VAL A 93 5.437 4.005 -5.745 1.00 0.00 H new ATOM 0 HG23 VAL A 93 4.440 3.378 -7.079 1.00 0.00 H new ATOM 1312 N THR A 94 7.491 2.668 -6.641 1.00 0.00 N ATOM 1313 CA THR A 94 8.724 3.438 -6.543 1.00 0.00 C ATOM 1314 C THR A 94 8.435 4.933 -6.465 1.00 0.00 C ATOM 1315 O THR A 94 8.202 5.585 -7.484 1.00 0.00 O ATOM 1316 CB THR A 94 9.651 3.168 -7.743 1.00 0.00 C ATOM 1317 OG1 THR A 94 9.986 1.777 -7.801 1.00 0.00 O ATOM 1318 CG2 THR A 94 10.923 3.997 -7.642 1.00 0.00 C ATOM 0 H THR A 94 7.074 2.656 -7.572 1.00 0.00 H new ATOM 0 HA THR A 94 9.223 3.120 -5.628 1.00 0.00 H new ATOM 0 HB THR A 94 9.122 3.452 -8.653 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.574 1.614 -8.568 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.562 3.789 -8.500 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.667 5.056 -7.628 1.00 0.00 H new ATOM 0 HG23 THR A 94 11.453 3.740 -6.725 1.00 0.00 H new ATOM 1326 N THR A 95 8.451 5.472 -5.250 1.00 0.00 N ATOM 1327 CA THR A 95 8.190 6.890 -5.040 1.00 0.00 C ATOM 1328 C THR A 95 8.940 7.744 -6.055 1.00 0.00 C ATOM 1329 O THR A 95 9.896 7.286 -6.681 1.00 0.00 O ATOM 1330 CB THR A 95 8.591 7.330 -3.619 1.00 0.00 C ATOM 1331 OG1 THR A 95 9.862 6.769 -3.273 1.00 0.00 O ATOM 1332 CG2 THR A 95 7.546 6.896 -2.602 1.00 0.00 C ATOM 0 H THR A 95 8.642 4.947 -4.396 1.00 0.00 H new ATOM 0 HA THR A 95 7.118 7.036 -5.169 1.00 0.00 H new ATOM 0 HB THR A 95 8.658 8.418 -3.605 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.000 6.844 -2.306 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.851 7.218 -1.606 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.586 7.348 -2.851 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.451 5.810 -2.619 1.00 0.00 H new ATOM 1340 N LYS A 96 8.501 8.988 -6.214 1.00 0.00 N ATOM 1341 CA LYS A 96 9.132 9.908 -7.153 1.00 0.00 C ATOM 1342 C LYS A 96 10.409 10.497 -6.562 1.00 0.00 C ATOM 1343 O LYS A 96 10.712 10.296 -5.385 1.00 0.00 O ATOM 1344 CB LYS A 96 8.164 11.033 -7.524 1.00 0.00 C ATOM 1345 CG LYS A 96 6.823 10.537 -8.038 1.00 0.00 C ATOM 1346 CD LYS A 96 6.131 11.585 -8.893 1.00 0.00 C ATOM 1347 CE LYS A 96 5.189 10.947 -9.902 1.00 0.00 C ATOM 1348 NZ LYS A 96 4.450 11.969 -10.694 1.00 0.00 N ATOM 0 H LYS A 96 7.710 9.382 -5.704 1.00 0.00 H new ATOM 0 HA LYS A 96 9.392 9.349 -8.052 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.998 11.662 -6.649 1.00 0.00 H new ATOM 0 HB3 LYS A 96 8.626 11.662 -8.285 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.970 9.629 -8.622 1.00 0.00 H new ATOM 0 HG3 LYS A 96 6.184 10.274 -7.195 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.572 12.267 -8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.879 12.180 -9.417 1.00 0.00 H new ATOM 0 HE2 LYS A 96 5.758 10.307 -10.576 1.00 0.00 H new ATOM 0 HE3 LYS A 96 4.477 10.307 -9.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 3.819 11.494 -11.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 3.887 12.564 -10.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 5.128 12.564 -11.212 1.00 0.00 H new ATOM 1362 N LYS A 97 11.155 11.226 -7.385 1.00 0.00 N ATOM 1363 CA LYS A 97 12.399 11.847 -6.944 1.00 0.00 C ATOM 1364 C LYS A 97 12.120 13.118 -6.149 1.00 0.00 C ATOM 1365 O LYS A 97 11.241 13.904 -6.504 1.00 0.00 O ATOM 1366 CB LYS A 97 13.286 12.170 -8.148 1.00 0.00 C ATOM 1367 CG LYS A 97 14.160 11.009 -8.590 1.00 0.00 C ATOM 1368 CD LYS A 97 13.327 9.863 -9.141 1.00 0.00 C ATOM 1369 CE LYS A 97 14.161 8.938 -10.014 1.00 0.00 C ATOM 1370 NZ LYS A 97 14.430 9.532 -11.353 1.00 0.00 N ATOM 0 H LYS A 97 10.920 11.402 -8.362 1.00 0.00 H new ATOM 0 HA LYS A 97 12.919 11.141 -6.296 1.00 0.00 H new ATOM 0 HB2 LYS A 97 12.654 12.476 -8.982 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.923 13.020 -7.902 1.00 0.00 H new ATOM 0 HG2 LYS A 97 14.861 11.350 -9.352 1.00 0.00 H new ATOM 0 HG3 LYS A 97 14.753 10.656 -7.746 1.00 0.00 H new ATOM 0 HD2 LYS A 97 12.896 9.296 -8.316 1.00 0.00 H new ATOM 0 HD3 LYS A 97 12.496 10.262 -9.722 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.106 8.723 -9.516 1.00 0.00 H new ATOM 0 HE3 LYS A 97 13.641 7.988 -10.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.851 8.812 -11.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.538 9.869 -11.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.089 10.330 -11.253 1.00 0.00 H new ATOM 1384 N ALA A 98 12.874 13.315 -5.073 1.00 0.00 N ATOM 1385 CA ALA A 98 12.710 14.493 -4.230 1.00 0.00 C ATOM 1386 C ALA A 98 13.241 15.743 -4.923 1.00 0.00 C ATOM 1387 O ALA A 98 14.259 15.713 -5.614 1.00 0.00 O ATOM 1388 CB ALA A 98 13.412 14.289 -2.895 1.00 0.00 C ATOM 0 H ALA A 98 13.605 12.674 -4.764 1.00 0.00 H new ATOM 0 HA ALA A 98 11.644 14.634 -4.050 1.00 0.00 H new ATOM 0 HB1 ALA A 98 13.281 15.176 -2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.983 13.425 -2.387 1.00 0.00 H new ATOM 0 HB3 ALA A 98 14.475 14.119 -3.065 1.00 0.00 H new ATOM 1394 N PRO A 99 12.536 16.868 -4.737 1.00 0.00 N ATOM 1395 CA PRO A 99 12.918 18.150 -5.337 1.00 0.00 C ATOM 1396 C PRO A 99 14.186 18.726 -4.717 1.00 0.00 C ATOM 1397 O PRO A 99 15.029 19.289 -5.415 1.00 0.00 O ATOM 1398 CB PRO A 99 11.719 19.053 -5.038 1.00 0.00 C ATOM 1399 CG PRO A 99 11.092 18.461 -3.823 1.00 0.00 C ATOM 1400 CD PRO A 99 11.312 16.977 -3.926 1.00 0.00 C ATOM 0 HA PRO A 99 13.141 18.052 -6.399 1.00 0.00 H new ATOM 0 HB2 PRO A 99 12.033 20.082 -4.860 1.00 0.00 H new ATOM 0 HB3 PRO A 99 11.020 19.073 -5.874 1.00 0.00 H new ATOM 0 HG2 PRO A 99 11.545 18.861 -2.916 1.00 0.00 H new ATOM 0 HG3 PRO A 99 10.029 18.696 -3.779 1.00 0.00 H new ATOM 0 HD2 PRO A 99 11.439 16.521 -2.944 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.468 16.478 -4.403 1.00 0.00 H new ATOM 1408 N SER A 100 14.315 18.580 -3.402 1.00 0.00 N ATOM 1409 CA SER A 100 15.480 19.089 -2.687 1.00 0.00 C ATOM 1410 C SER A 100 15.710 20.563 -3.004 1.00 0.00 C ATOM 1411 O SER A 100 16.790 20.971 -3.433 1.00 0.00 O ATOM 1412 CB SER A 100 16.724 18.276 -3.052 1.00 0.00 C ATOM 1413 OG SER A 100 16.761 17.053 -2.338 1.00 0.00 O ATOM 0 H SER A 100 13.627 18.114 -2.810 1.00 0.00 H new ATOM 0 HA SER A 100 15.292 18.991 -1.618 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.730 18.076 -4.123 1.00 0.00 H new ATOM 0 HB3 SER A 100 17.620 18.857 -2.831 1.00 0.00 H new ATOM 0 HG SER A 100 17.564 16.551 -2.590 1.00 0.00 H new ATOM 1419 N PRO A 101 14.671 21.383 -2.788 1.00 0.00 N ATOM 1420 CA PRO A 101 14.735 22.826 -3.043 1.00 0.00 C ATOM 1421 C PRO A 101 15.639 23.550 -2.052 1.00 0.00 C ATOM 1422 O PRO A 101 15.219 23.884 -0.944 1.00 0.00 O ATOM 1423 CB PRO A 101 13.283 23.280 -2.874 1.00 0.00 C ATOM 1424 CG PRO A 101 12.673 22.270 -1.965 1.00 0.00 C ATOM 1425 CD PRO A 101 13.354 20.966 -2.278 1.00 0.00 C ATOM 0 HA PRO A 101 15.154 23.049 -4.024 1.00 0.00 H new ATOM 0 HB2 PRO A 101 13.229 24.281 -2.447 1.00 0.00 H new ATOM 0 HB3 PRO A 101 12.765 23.314 -3.832 1.00 0.00 H new ATOM 0 HG2 PRO A 101 12.820 22.546 -0.921 1.00 0.00 H new ATOM 0 HG3 PRO A 101 11.598 22.198 -2.128 1.00 0.00 H new ATOM 0 HD2 PRO A 101 13.447 20.338 -1.392 1.00 0.00 H new ATOM 0 HD3 PRO A 101 12.800 20.391 -3.020 1.00 0.00 H new ATOM 1433 N SER A 102 16.882 23.791 -2.458 1.00 0.00 N ATOM 1434 CA SER A 102 17.846 24.474 -1.604 1.00 0.00 C ATOM 1435 C SER A 102 17.158 25.529 -0.742 1.00 0.00 C ATOM 1436 O SER A 102 16.260 26.233 -1.204 1.00 0.00 O ATOM 1437 CB SER A 102 18.939 25.126 -2.452 1.00 0.00 C ATOM 1438 OG SER A 102 20.011 25.579 -1.643 1.00 0.00 O ATOM 0 H SER A 102 17.245 23.523 -3.373 1.00 0.00 H new ATOM 0 HA SER A 102 18.300 23.733 -0.947 1.00 0.00 H new ATOM 0 HB2 SER A 102 19.310 24.410 -3.185 1.00 0.00 H new ATOM 0 HB3 SER A 102 18.520 25.964 -3.009 1.00 0.00 H new ATOM 0 HG SER A 102 20.697 25.990 -2.209 1.00 0.00 H new ATOM 1444 N SER A 103 17.586 25.631 0.512 1.00 0.00 N ATOM 1445 CA SER A 103 17.009 26.596 1.440 1.00 0.00 C ATOM 1446 C SER A 103 17.765 27.921 1.385 1.00 0.00 C ATOM 1447 O SER A 103 18.994 27.946 1.355 1.00 0.00 O ATOM 1448 CB SER A 103 17.033 26.041 2.866 1.00 0.00 C ATOM 1449 OG SER A 103 16.037 25.049 3.043 1.00 0.00 O ATOM 0 H SER A 103 18.330 25.057 0.909 1.00 0.00 H new ATOM 0 HA SER A 103 15.975 26.775 1.144 1.00 0.00 H new ATOM 0 HB2 SER A 103 18.015 25.617 3.078 1.00 0.00 H new ATOM 0 HB3 SER A 103 16.875 26.851 3.578 1.00 0.00 H new ATOM 0 HG SER A 103 16.074 24.709 3.961 1.00 0.00 H new ATOM 1455 N GLY A 104 17.018 29.021 1.372 1.00 0.00 N ATOM 1456 CA GLY A 104 17.633 30.334 1.321 1.00 0.00 C ATOM 1457 C GLY A 104 16.761 31.407 1.944 1.00 0.00 C ATOM 1458 O GLY A 104 15.695 31.129 2.493 1.00 0.00 O ATOM 0 H GLY A 104 15.998 29.026 1.396 1.00 0.00 H new ATOM 0 HA2 GLY A 104 18.592 30.303 1.839 1.00 0.00 H new ATOM 0 HA3 GLY A 104 17.840 30.595 0.283 1.00 0.00 H new ATOM 1462 N PRO A 105 17.218 32.665 1.865 1.00 0.00 N ATOM 1463 CA PRO A 105 16.489 33.809 2.421 1.00 0.00 C ATOM 1464 C PRO A 105 15.214 34.118 1.643 1.00 0.00 C ATOM 1465 O PRO A 105 14.454 35.014 2.009 1.00 0.00 O ATOM 1466 CB PRO A 105 17.487 34.962 2.293 1.00 0.00 C ATOM 1467 CG PRO A 105 18.379 34.568 1.167 1.00 0.00 C ATOM 1468 CD PRO A 105 18.481 33.069 1.225 1.00 0.00 C ATOM 0 HA PRO A 105 16.160 33.624 3.443 1.00 0.00 H new ATOM 0 HB2 PRO A 105 16.979 35.904 2.085 1.00 0.00 H new ATOM 0 HB3 PRO A 105 18.051 35.101 3.215 1.00 0.00 H new ATOM 0 HG2 PRO A 105 17.969 34.895 0.211 1.00 0.00 H new ATOM 0 HG3 PRO A 105 19.361 35.030 1.267 1.00 0.00 H new ATOM 0 HD2 PRO A 105 18.584 32.635 0.231 1.00 0.00 H new ATOM 0 HD3 PRO A 105 19.346 32.747 1.805 1.00 0.00 H new ATOM 1476 N SER A 106 14.987 33.370 0.567 1.00 0.00 N ATOM 1477 CA SER A 106 13.806 33.567 -0.265 1.00 0.00 C ATOM 1478 C SER A 106 12.549 33.086 0.454 1.00 0.00 C ATOM 1479 O SER A 106 12.142 31.933 0.312 1.00 0.00 O ATOM 1480 CB SER A 106 13.963 32.825 -1.593 1.00 0.00 C ATOM 1481 OG SER A 106 14.201 31.444 -1.382 1.00 0.00 O ATOM 0 H SER A 106 15.605 32.623 0.252 1.00 0.00 H new ATOM 0 HA SER A 106 13.705 34.634 -0.463 1.00 0.00 H new ATOM 0 HB2 SER A 106 13.063 32.954 -2.194 1.00 0.00 H new ATOM 0 HB3 SER A 106 14.788 33.257 -2.159 1.00 0.00 H new ATOM 0 HG SER A 106 13.583 31.106 -0.700 1.00 0.00 H new ATOM 1487 N SER A 107 11.938 33.979 1.226 1.00 0.00 N ATOM 1488 CA SER A 107 10.730 33.646 1.971 1.00 0.00 C ATOM 1489 C SER A 107 9.910 34.899 2.265 1.00 0.00 C ATOM 1490 O SER A 107 10.435 36.011 2.264 1.00 0.00 O ATOM 1491 CB SER A 107 11.090 32.939 3.279 1.00 0.00 C ATOM 1492 OG SER A 107 11.422 31.581 3.050 1.00 0.00 O ATOM 0 H SER A 107 12.260 34.939 1.352 1.00 0.00 H new ATOM 0 HA SER A 107 10.128 32.975 1.358 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.931 33.447 3.751 1.00 0.00 H new ATOM 0 HB3 SER A 107 10.251 33.000 3.972 1.00 0.00 H new ATOM 0 HG SER A 107 11.634 31.451 2.102 1.00 0.00 H new ATOM 1498 N GLY A 108 8.619 34.708 2.518 1.00 0.00 N ATOM 1499 CA GLY A 108 7.747 35.830 2.811 1.00 0.00 C ATOM 1500 C GLY A 108 8.412 36.867 3.693 1.00 0.00 C ATOM 1501 O GLY A 108 7.756 37.783 4.190 1.00 0.00 O ATOM 0 H GLY A 108 8.162 33.796 2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.436 36.298 1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 108 6.844 35.466 3.301 1.00 0.00 H new TER 1505 GLY A 108