USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 881 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 SER OG : rot 30:sc= -0.463 USER MOD Set 1.2: A 64 MET CE :methyl -115:sc= -4.52! (180deg=-7.52!) USER MOD Set 2.1: A 32 MET CE :methyl -117:sc= -6.3! (180deg=-12.6!) USER MOD Set 2.2: A 84 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 18 THR OG1 : rot -92:sc= -0.0296 USER MOD Set 3.2: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 41:sc= 1.05 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 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -162:sc= -3.53! USER MOD Single : A 13 ASN : amide:sc= -0.0041 K(o=-0.0041,f=-0.88) USER MOD Single : A 14 MET CE :methyl -146:sc= -1.12 (180deg=-2.81!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0421 K(o=-0.042,f=-0.64) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -154:sc= -0.073 (180deg=-0.476) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 170:sc= -0.284 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0101 X(o=-0.01,f=-0.14) USER MOD Single : A 46 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0831) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot -150:sc= -2.5! USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00559 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 156:sc= -6.74! (180deg=-8.11!) USER MOD Single : A 61 ASN : amide:sc= -1.72 X(o=-1.7,f=-1.4) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 163:sc=-0.00443 (180deg=-0.0995) USER MOD Single : A 68 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00905) USER MOD Single : A 71 ASN : amide:sc= -1.94 K(o=-1.9,f=-2.6!) USER MOD Single : A 76 SER OG : rot 148:sc= 0.737 USER MOD Single : A 81 GLN :FLIP amide:sc= -1.87 F(o=-2.4,f=-1.9) USER MOD Single : A 86 SER OG : rot 148:sc= 0.393 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0325 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= -4.14! C(o=-4.1!,f=-10!) USER MOD Single : A 97 HIS : no HE2:sc= -1.04 X(o=-1,f=-1.4) USER MOD Single : A 100 SER OG : rot 120:sc= 0.0742 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc=-0.00339 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.311 13.156 -25.054 1.00 0.00 N ATOM 2 CA GLY A 1 -11.070 14.568 -24.809 1.00 0.00 C ATOM 3 C GLY A 1 -10.730 14.819 -23.338 1.00 0.00 C ATOM 4 O GLY A 1 -11.598 14.722 -22.472 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.539 13.012 -26.058 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.459 12.611 -24.811 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.107 12.833 -24.468 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.252 14.916 -25.440 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.953 15.145 -25.085 1.00 0.00 H new ATOM 8 N SER A 2 -9.466 15.137 -23.103 1.00 0.00 N ATOM 9 CA SER A 2 -9.000 15.403 -21.752 1.00 0.00 C ATOM 10 C SER A 2 -7.604 16.026 -21.793 1.00 0.00 C ATOM 11 O SER A 2 -6.908 15.933 -22.804 1.00 0.00 O ATOM 12 CB SER A 2 -8.987 14.125 -20.912 1.00 0.00 C ATOM 13 OG SER A 2 -10.231 13.906 -20.252 1.00 0.00 O ATOM 0 H SER A 2 -8.750 15.217 -23.825 1.00 0.00 H new ATOM 0 HA SER A 2 -9.690 16.105 -21.284 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.762 13.273 -21.553 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.190 14.186 -20.171 1.00 0.00 H new ATOM 0 HG SER A 2 -10.967 14.120 -20.862 1.00 0.00 H new ATOM 19 N SER A 3 -7.234 16.647 -20.683 1.00 0.00 N ATOM 20 CA SER A 3 -5.933 17.285 -20.579 1.00 0.00 C ATOM 21 C SER A 3 -5.763 17.906 -19.191 1.00 0.00 C ATOM 22 O SER A 3 -6.684 18.535 -18.671 1.00 0.00 O ATOM 23 CB SER A 3 -5.754 18.351 -21.662 1.00 0.00 C ATOM 24 OG SER A 3 -4.412 18.412 -22.135 1.00 0.00 O ATOM 0 H SER A 3 -7.813 16.722 -19.847 1.00 0.00 H new ATOM 0 HA SER A 3 -5.167 16.524 -20.726 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.423 18.136 -22.496 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.043 19.324 -21.264 1.00 0.00 H new ATOM 0 HG SER A 3 -4.340 19.103 -22.826 1.00 0.00 H new ATOM 30 N GLY A 4 -4.580 17.707 -18.630 1.00 0.00 N ATOM 31 CA GLY A 4 -4.278 18.239 -17.312 1.00 0.00 C ATOM 32 C GLY A 4 -3.474 17.233 -16.485 1.00 0.00 C ATOM 33 O GLY A 4 -3.153 16.146 -16.964 1.00 0.00 O ATOM 0 H GLY A 4 -3.819 17.185 -19.064 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.714 19.167 -17.411 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.205 18.483 -16.793 1.00 0.00 H new ATOM 37 N SER A 5 -3.172 17.631 -15.258 1.00 0.00 N ATOM 38 CA SER A 5 -2.411 16.778 -14.361 1.00 0.00 C ATOM 39 C SER A 5 -1.030 16.494 -14.954 1.00 0.00 C ATOM 40 O SER A 5 -0.921 16.026 -16.086 1.00 0.00 O ATOM 41 CB SER A 5 -3.152 15.467 -14.088 1.00 0.00 C ATOM 42 OG SER A 5 -4.123 15.607 -13.055 1.00 0.00 O ATOM 0 H SER A 5 -3.440 18.533 -14.864 1.00 0.00 H new ATOM 0 HA SER A 5 -2.290 17.301 -13.412 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.641 15.130 -15.002 1.00 0.00 H new ATOM 0 HB3 SER A 5 -2.434 14.696 -13.808 1.00 0.00 H new ATOM 0 HG SER A 5 -4.575 14.749 -12.912 1.00 0.00 H new ATOM 48 N SER A 6 -0.009 16.788 -14.162 1.00 0.00 N ATOM 49 CA SER A 6 1.361 16.570 -14.594 1.00 0.00 C ATOM 50 C SER A 6 2.285 16.480 -13.378 1.00 0.00 C ATOM 51 O SER A 6 2.186 17.289 -12.458 1.00 0.00 O ATOM 52 CB SER A 6 1.826 17.684 -15.533 1.00 0.00 C ATOM 53 OG SER A 6 3.246 17.737 -15.638 1.00 0.00 O ATOM 0 H SER A 6 -0.103 17.176 -13.223 1.00 0.00 H new ATOM 0 HA SER A 6 1.401 15.629 -15.143 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.395 17.528 -16.522 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.453 18.642 -15.171 1.00 0.00 H new ATOM 0 HG SER A 6 3.502 18.460 -16.248 1.00 0.00 H new ATOM 59 N GLY A 7 3.163 15.488 -13.415 1.00 0.00 N ATOM 60 CA GLY A 7 4.104 15.282 -12.327 1.00 0.00 C ATOM 61 C GLY A 7 3.377 15.169 -10.986 1.00 0.00 C ATOM 62 O GLY A 7 2.154 15.285 -10.928 1.00 0.00 O ATOM 0 H GLY A 7 3.242 14.819 -14.181 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.682 14.376 -12.508 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.812 16.110 -12.292 1.00 0.00 H new ATOM 66 N ASP A 8 4.160 14.944 -9.941 1.00 0.00 N ATOM 67 CA ASP A 8 3.606 14.814 -8.605 1.00 0.00 C ATOM 68 C ASP A 8 2.731 13.560 -8.540 1.00 0.00 C ATOM 69 O ASP A 8 2.663 12.796 -9.501 1.00 0.00 O ATOM 70 CB ASP A 8 2.731 16.019 -8.252 1.00 0.00 C ATOM 71 CG ASP A 8 3.410 17.380 -8.414 1.00 0.00 C ATOM 72 OD1 ASP A 8 4.570 17.494 -7.962 1.00 0.00 O ATOM 73 OD2 ASP A 8 2.753 18.277 -8.986 1.00 0.00 O ATOM 0 H ASP A 8 5.174 14.848 -9.993 1.00 0.00 H new ATOM 0 HA ASP A 8 4.436 14.751 -7.901 1.00 0.00 H new ATOM 0 HB2 ASP A 8 1.839 15.998 -8.879 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.397 15.917 -7.219 1.00 0.00 H new ATOM 78 N LYS A 9 2.085 13.387 -7.396 1.00 0.00 N ATOM 79 CA LYS A 9 1.219 12.238 -7.193 1.00 0.00 C ATOM 80 C LYS A 9 2.004 10.956 -7.472 1.00 0.00 C ATOM 81 O LYS A 9 2.109 10.524 -8.619 1.00 0.00 O ATOM 82 CB LYS A 9 -0.055 12.374 -8.030 1.00 0.00 C ATOM 83 CG LYS A 9 -0.827 13.640 -7.653 1.00 0.00 C ATOM 84 CD LYS A 9 -2.337 13.402 -7.722 1.00 0.00 C ATOM 85 CE LYS A 9 -3.003 14.382 -8.689 1.00 0.00 C ATOM 86 NZ LYS A 9 -4.422 14.020 -8.899 1.00 0.00 N ATOM 0 H LYS A 9 2.144 14.023 -6.601 1.00 0.00 H new ATOM 0 HA LYS A 9 0.888 12.189 -6.156 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.203 12.403 -9.089 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.688 11.500 -7.880 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.550 13.953 -6.646 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.552 14.452 -8.326 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.533 12.379 -8.043 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.772 13.513 -6.729 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.935 15.395 -8.293 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.475 14.376 -9.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.859 14.696 -9.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.480 13.061 -9.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.926 14.049 -7.990 1.00 0.00 H new ATOM 100 N PRO A 10 2.552 10.367 -6.375 1.00 0.00 N ATOM 101 CA PRO A 10 3.325 9.142 -6.490 1.00 0.00 C ATOM 102 C PRO A 10 2.412 7.937 -6.724 1.00 0.00 C ATOM 103 O PRO A 10 2.826 6.947 -7.325 1.00 0.00 O ATOM 104 CB PRO A 10 4.110 9.049 -5.192 1.00 0.00 C ATOM 105 CG PRO A 10 3.403 9.969 -4.210 1.00 0.00 C ATOM 106 CD PRO A 10 2.449 10.849 -5.000 1.00 0.00 C ATOM 0 HA PRO A 10 3.998 9.148 -7.348 1.00 0.00 H new ATOM 0 HB2 PRO A 10 4.131 8.024 -4.821 1.00 0.00 H new ATOM 0 HB3 PRO A 10 5.145 9.356 -5.339 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.858 9.387 -3.466 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.127 10.579 -3.670 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.429 10.763 -4.626 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.728 11.900 -4.927 1.00 0.00 H new ATOM 114 N LEU A 11 1.186 8.061 -6.238 1.00 0.00 N ATOM 115 CA LEU A 11 0.210 6.994 -6.386 1.00 0.00 C ATOM 116 C LEU A 11 -0.765 7.353 -7.509 1.00 0.00 C ATOM 117 O LEU A 11 -1.683 6.591 -7.806 1.00 0.00 O ATOM 118 CB LEU A 11 -0.473 6.702 -5.049 1.00 0.00 C ATOM 119 CG LEU A 11 0.457 6.506 -3.849 1.00 0.00 C ATOM 120 CD1 LEU A 11 1.826 5.989 -4.296 1.00 0.00 C ATOM 121 CD2 LEU A 11 0.570 7.792 -3.028 1.00 0.00 C ATOM 0 H LEU A 11 0.846 8.884 -5.741 1.00 0.00 H new ATOM 0 HA LEU A 11 0.702 6.065 -6.675 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.155 7.523 -4.825 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.081 5.805 -5.163 1.00 0.00 H new ATOM 0 HG LEU A 11 0.022 5.746 -3.199 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.468 5.858 -3.425 1.00 0.00 H new ATOM 0 HD12 LEU A 11 1.705 5.033 -4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.281 6.707 -4.978 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.236 7.626 -2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.971 8.589 -3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.416 8.078 -2.663 1.00 0.00 H new ATOM 133 N SER A 12 -0.531 8.514 -8.103 1.00 0.00 N ATOM 134 CA SER A 12 -1.378 8.984 -9.187 1.00 0.00 C ATOM 135 C SER A 12 -1.610 7.857 -10.195 1.00 0.00 C ATOM 136 O SER A 12 -0.746 7.573 -11.024 1.00 0.00 O ATOM 137 CB SER A 12 -0.759 10.199 -9.882 1.00 0.00 C ATOM 138 OG SER A 12 -1.623 11.331 -9.846 1.00 0.00 O ATOM 0 H SER A 12 0.232 9.143 -7.855 1.00 0.00 H new ATOM 0 HA SER A 12 -2.336 9.289 -8.766 1.00 0.00 H new ATOM 0 HB2 SER A 12 0.187 10.449 -9.401 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.533 9.948 -10.918 1.00 0.00 H new ATOM 0 HG SER A 12 -1.340 11.981 -10.523 1.00 0.00 H new ATOM 144 N ASN A 13 -2.781 7.246 -10.092 1.00 0.00 N ATOM 145 CA ASN A 13 -3.138 6.157 -10.985 1.00 0.00 C ATOM 146 C ASN A 13 -2.583 4.844 -10.428 1.00 0.00 C ATOM 147 O ASN A 13 -1.867 4.124 -11.122 1.00 0.00 O ATOM 148 CB ASN A 13 -2.542 6.368 -12.378 1.00 0.00 C ATOM 149 CG ASN A 13 -3.344 5.611 -13.438 1.00 0.00 C ATOM 150 OD1 ASN A 13 -3.740 4.471 -13.258 1.00 0.00 O ATOM 151 ND2 ASN A 13 -3.561 6.306 -14.552 1.00 0.00 N ATOM 0 H ASN A 13 -3.495 7.484 -9.404 1.00 0.00 H new ATOM 0 HA ASN A 13 -4.225 6.125 -11.059 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.532 7.432 -12.616 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.506 6.029 -12.389 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.087 5.888 -15.320 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.202 7.257 -14.638 1.00 0.00 H new ATOM 158 N MET A 14 -2.935 4.572 -9.180 1.00 0.00 N ATOM 159 CA MET A 14 -2.481 3.359 -8.522 1.00 0.00 C ATOM 160 C MET A 14 -3.392 2.999 -7.346 1.00 0.00 C ATOM 161 O MET A 14 -3.725 3.856 -6.529 1.00 0.00 O ATOM 162 CB MET A 14 -1.050 3.556 -8.017 1.00 0.00 C ATOM 163 CG MET A 14 -0.036 3.310 -9.135 1.00 0.00 C ATOM 164 SD MET A 14 1.292 2.278 -8.539 1.00 0.00 S ATOM 165 CE MET A 14 1.501 2.956 -6.901 1.00 0.00 C ATOM 0 H MET A 14 -3.529 5.171 -8.607 1.00 0.00 H new ATOM 0 HA MET A 14 -2.512 2.543 -9.245 1.00 0.00 H new ATOM 0 HB2 MET A 14 -0.933 4.569 -7.631 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.856 2.875 -7.189 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.526 2.832 -9.983 1.00 0.00 H new ATOM 0 HG3 MET A 14 0.363 4.260 -9.491 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.553 2.912 -6.621 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.165 3.993 -6.891 1.00 0.00 H new ATOM 0 HE3 MET A 14 0.912 2.377 -6.190 1.00 0.00 H new ATOM 175 N LYS A 15 -3.770 1.730 -7.299 1.00 0.00 N ATOM 176 CA LYS A 15 -4.636 1.246 -6.237 1.00 0.00 C ATOM 177 C LYS A 15 -3.779 0.748 -5.072 1.00 0.00 C ATOM 178 O LYS A 15 -2.853 -0.038 -5.270 1.00 0.00 O ATOM 179 CB LYS A 15 -5.610 0.197 -6.777 1.00 0.00 C ATOM 180 CG LYS A 15 -6.987 0.810 -7.038 1.00 0.00 C ATOM 181 CD LYS A 15 -7.835 -0.104 -7.925 1.00 0.00 C ATOM 182 CE LYS A 15 -7.241 -0.208 -9.331 1.00 0.00 C ATOM 183 NZ LYS A 15 -8.204 -0.848 -10.255 1.00 0.00 N ATOM 0 H LYS A 15 -3.493 1.022 -7.979 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.256 2.056 -5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.217 -0.229 -7.700 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.702 -0.621 -6.063 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.499 0.980 -6.091 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.871 1.782 -7.517 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.896 -1.096 -7.478 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.853 0.282 -7.984 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.982 0.786 -9.697 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -6.318 -0.787 -9.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.785 -0.911 -11.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.431 -1.804 -9.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.074 -0.280 -10.298 1.00 0.00 H new ATOM 197 N ILE A 16 -4.117 1.225 -3.884 1.00 0.00 N ATOM 198 CA ILE A 16 -3.389 0.838 -2.687 1.00 0.00 C ATOM 199 C ILE A 16 -4.325 0.067 -1.754 1.00 0.00 C ATOM 200 O ILE A 16 -5.503 0.399 -1.637 1.00 0.00 O ATOM 201 CB ILE A 16 -2.741 2.061 -2.035 1.00 0.00 C ATOM 202 CG1 ILE A 16 -1.802 2.771 -3.013 1.00 0.00 C ATOM 203 CG2 ILE A 16 -2.032 1.678 -0.735 1.00 0.00 C ATOM 204 CD1 ILE A 16 -2.588 3.419 -4.154 1.00 0.00 C ATOM 0 H ILE A 16 -4.886 1.876 -3.724 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.567 0.168 -2.940 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.529 2.768 -1.775 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.228 3.532 -2.484 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.086 2.056 -3.419 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.580 2.565 -0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.754 1.252 -0.038 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.256 0.943 -0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.897 3.917 -4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.142 2.652 -4.696 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.286 4.150 -3.746 1.00 0.00 H new ATOM 216 N LEU A 17 -3.764 -0.948 -1.112 1.00 0.00 N ATOM 217 CA LEU A 17 -4.533 -1.769 -0.193 1.00 0.00 C ATOM 218 C LEU A 17 -3.926 -1.665 1.207 1.00 0.00 C ATOM 219 O LEU A 17 -2.726 -1.438 1.352 1.00 0.00 O ATOM 220 CB LEU A 17 -4.636 -3.204 -0.714 1.00 0.00 C ATOM 221 CG LEU A 17 -5.497 -4.158 0.116 1.00 0.00 C ATOM 222 CD1 LEU A 17 -6.801 -4.492 -0.612 1.00 0.00 C ATOM 223 CD2 LEU A 17 -4.713 -5.417 0.493 1.00 0.00 C ATOM 0 H LEU A 17 -2.786 -1.220 -1.211 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.558 -1.405 -0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.036 -3.174 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.630 -3.619 -0.780 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.766 -3.656 1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.395 -5.172 -0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.364 -3.576 -0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.574 -4.967 -1.566 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -5.348 -6.078 1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.395 -5.932 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.837 -5.138 1.078 1.00 0.00 H new ATOM 235 N THR A 18 -4.782 -1.836 2.203 1.00 0.00 N ATOM 236 CA THR A 18 -4.345 -1.764 3.587 1.00 0.00 C ATOM 237 C THR A 18 -4.712 -3.051 4.330 1.00 0.00 C ATOM 238 O THR A 18 -5.776 -3.623 4.099 1.00 0.00 O ATOM 239 CB THR A 18 -4.955 -0.507 4.211 1.00 0.00 C ATOM 240 OG1 THR A 18 -6.354 -0.648 3.980 1.00 0.00 O ATOM 241 CG2 THR A 18 -4.578 0.766 3.450 1.00 0.00 C ATOM 0 H THR A 18 -5.777 -2.024 2.079 1.00 0.00 H new ATOM 0 HA THR A 18 -3.260 -1.684 3.655 1.00 0.00 H new ATOM 0 HB THR A 18 -4.628 -0.421 5.247 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.592 -0.208 3.137 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.036 1.628 3.934 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.494 0.883 3.451 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.934 0.695 2.422 1.00 0.00 H new ATOM 249 N LEU A 19 -3.811 -3.468 5.207 1.00 0.00 N ATOM 250 CA LEU A 19 -4.027 -4.676 5.985 1.00 0.00 C ATOM 251 C LEU A 19 -3.658 -4.409 7.446 1.00 0.00 C ATOM 252 O LEU A 19 -2.615 -3.822 7.729 1.00 0.00 O ATOM 253 CB LEU A 19 -3.272 -5.854 5.366 1.00 0.00 C ATOM 254 CG LEU A 19 -4.137 -6.970 4.778 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.292 -7.943 3.954 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.929 -7.685 5.874 1.00 0.00 C ATOM 0 H LEU A 19 -2.930 -2.991 5.396 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.080 -4.957 5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.624 -5.471 4.578 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.625 -6.287 6.129 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.861 -6.519 4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.932 -8.726 3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.812 -7.406 3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.529 -8.391 4.590 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.536 -8.474 5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.239 -8.122 6.596 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.578 -6.970 6.379 1.00 0.00 H new ATOM 268 N GLY A 20 -4.535 -4.852 8.334 1.00 0.00 N ATOM 269 CA GLY A 20 -4.315 -4.669 9.759 1.00 0.00 C ATOM 270 C GLY A 20 -4.614 -3.228 10.179 1.00 0.00 C ATOM 271 O GLY A 20 -5.074 -2.425 9.369 1.00 0.00 O ATOM 0 H GLY A 20 -5.400 -5.337 8.095 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.951 -5.354 10.320 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.283 -4.917 10.006 1.00 0.00 H new ATOM 275 N LYS A 21 -4.341 -2.946 11.444 1.00 0.00 N ATOM 276 CA LYS A 21 -4.574 -1.616 11.981 1.00 0.00 C ATOM 277 C LYS A 21 -3.297 -0.785 11.847 1.00 0.00 C ATOM 278 O LYS A 21 -2.219 -1.228 12.241 1.00 0.00 O ATOM 279 CB LYS A 21 -5.104 -1.702 13.413 1.00 0.00 C ATOM 280 CG LYS A 21 -5.589 -0.336 13.902 1.00 0.00 C ATOM 281 CD LYS A 21 -7.116 -0.249 13.862 1.00 0.00 C ATOM 282 CE LYS A 21 -7.711 -0.387 15.265 1.00 0.00 C ATOM 283 NZ LYS A 21 -8.827 0.567 15.450 1.00 0.00 N ATOM 0 H LYS A 21 -3.961 -3.616 12.113 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.348 -1.105 11.409 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -5.923 -2.420 13.459 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.319 -2.071 14.073 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.238 -0.165 14.920 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.160 0.450 13.280 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.418 0.704 13.427 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -7.512 -1.033 13.217 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.067 -1.406 15.417 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.940 -0.204 16.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.220 0.460 16.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.477 1.539 15.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.569 0.373 14.748 1.00 0.00 H new ATOM 297 N LEU A 22 -3.459 0.406 11.290 1.00 0.00 N ATOM 298 CA LEU A 22 -2.333 1.304 11.099 1.00 0.00 C ATOM 299 C LEU A 22 -2.462 2.489 12.057 1.00 0.00 C ATOM 300 O LEU A 22 -3.493 2.657 12.707 1.00 0.00 O ATOM 301 CB LEU A 22 -2.215 1.711 9.629 1.00 0.00 C ATOM 302 CG LEU A 22 -2.153 0.564 8.618 1.00 0.00 C ATOM 303 CD1 LEU A 22 -2.851 0.947 7.311 1.00 0.00 C ATOM 304 CD2 LEU A 22 -0.708 0.117 8.385 1.00 0.00 C ATOM 0 H LEU A 22 -4.354 0.770 10.964 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.398 0.799 11.342 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.066 2.344 9.378 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.319 2.321 9.512 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.692 -0.288 9.034 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.793 0.115 6.610 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.897 1.180 7.512 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.361 1.820 6.879 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.692 -0.699 7.663 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.126 0.954 8.000 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.276 -0.223 9.326 1.00 0.00 H new ATOM 316 N SER A 23 -1.401 3.281 12.115 1.00 0.00 N ATOM 317 CA SER A 23 -1.384 4.446 12.983 1.00 0.00 C ATOM 318 C SER A 23 -2.621 5.308 12.728 1.00 0.00 C ATOM 319 O SER A 23 -3.295 5.728 13.667 1.00 0.00 O ATOM 320 CB SER A 23 -0.111 5.269 12.775 1.00 0.00 C ATOM 321 OG SER A 23 0.302 5.927 13.969 1.00 0.00 O ATOM 0 H SER A 23 -0.547 3.139 11.575 1.00 0.00 H new ATOM 0 HA SER A 23 -1.397 4.102 14.017 1.00 0.00 H new ATOM 0 HB2 SER A 23 0.689 4.616 12.426 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.282 6.010 11.994 1.00 0.00 H new ATOM 0 HG SER A 23 1.119 6.440 13.794 1.00 0.00 H new ATOM 327 N ARG A 24 -2.884 5.546 11.451 1.00 0.00 N ATOM 328 CA ARG A 24 -4.029 6.351 11.060 1.00 0.00 C ATOM 329 C ARG A 24 -5.247 5.458 10.818 1.00 0.00 C ATOM 330 O ARG A 24 -5.156 4.236 10.921 1.00 0.00 O ATOM 331 CB ARG A 24 -3.732 7.151 9.790 1.00 0.00 C ATOM 332 CG ARG A 24 -2.760 8.298 10.079 1.00 0.00 C ATOM 333 CD ARG A 24 -3.192 9.577 9.359 1.00 0.00 C ATOM 334 NE ARG A 24 -3.853 10.496 10.312 1.00 0.00 N ATOM 335 CZ ARG A 24 -3.981 11.815 10.117 1.00 0.00 C ATOM 336 NH1 ARG A 24 -3.496 12.378 9.002 1.00 0.00 N ATOM 337 NH2 ARG A 24 -4.596 12.572 11.037 1.00 0.00 N ATOM 0 H ARG A 24 -2.324 5.195 10.674 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.239 7.046 11.873 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.308 6.492 9.032 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.660 7.550 9.382 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.714 8.479 11.153 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.756 8.018 9.760 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.325 10.064 8.914 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.874 9.333 8.544 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.235 10.100 11.171 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.029 11.802 8.301 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.594 13.382 8.854 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.966 12.143 11.885 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.693 13.576 10.889 1.00 0.00 H new ATOM 351 N ASN A 25 -6.360 6.103 10.502 1.00 0.00 N ATOM 352 CA ASN A 25 -7.596 5.382 10.245 1.00 0.00 C ATOM 353 C ASN A 25 -7.738 5.143 8.740 1.00 0.00 C ATOM 354 O ASN A 25 -7.247 5.931 7.934 1.00 0.00 O ATOM 355 CB ASN A 25 -8.810 6.187 10.712 1.00 0.00 C ATOM 356 CG ASN A 25 -9.056 5.990 12.209 1.00 0.00 C ATOM 357 OD1 ASN A 25 -8.987 4.892 12.736 1.00 0.00 O ATOM 358 ND2 ASN A 25 -9.346 7.112 12.862 1.00 0.00 N ATOM 0 H ASN A 25 -6.432 7.117 10.418 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.557 4.439 10.791 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.652 7.245 10.502 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.693 5.879 10.151 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.527 7.086 13.865 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.387 7.999 12.359 1.00 0.00 H new ATOM 365 N LYS A 26 -8.411 4.051 8.408 1.00 0.00 N ATOM 366 CA LYS A 26 -8.624 3.698 7.015 1.00 0.00 C ATOM 367 C LYS A 26 -8.926 4.964 6.212 1.00 0.00 C ATOM 368 O LYS A 26 -8.154 5.346 5.334 1.00 0.00 O ATOM 369 CB LYS A 26 -9.704 2.621 6.894 1.00 0.00 C ATOM 370 CG LYS A 26 -9.580 1.866 5.569 1.00 0.00 C ATOM 371 CD LYS A 26 -8.884 0.519 5.767 1.00 0.00 C ATOM 372 CE LYS A 26 -9.470 -0.544 4.836 1.00 0.00 C ATOM 373 NZ LYS A 26 -9.085 -1.899 5.288 1.00 0.00 N ATOM 0 H LYS A 26 -8.816 3.399 9.080 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.720 3.260 6.591 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.619 1.921 7.725 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -10.690 3.080 6.964 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.571 1.708 5.143 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.018 2.468 4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.816 0.626 5.576 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.992 0.199 6.803 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.556 -0.457 4.813 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.116 -0.380 3.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.491 -2.608 4.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.048 -1.984 5.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.444 -2.059 6.251 1.00 0.00 H new ATOM 387 N ASP A 27 -10.051 5.581 6.543 1.00 0.00 N ATOM 388 CA ASP A 27 -10.465 6.797 5.864 1.00 0.00 C ATOM 389 C ASP A 27 -9.250 7.707 5.669 1.00 0.00 C ATOM 390 O ASP A 27 -8.830 7.954 4.540 1.00 0.00 O ATOM 391 CB ASP A 27 -11.502 7.563 6.688 1.00 0.00 C ATOM 392 CG ASP A 27 -12.514 8.366 5.869 1.00 0.00 C ATOM 393 OD1 ASP A 27 -12.055 9.153 5.013 1.00 0.00 O ATOM 394 OD2 ASP A 27 -13.724 8.176 6.118 1.00 0.00 O ATOM 0 H ASP A 27 -10.688 5.262 7.272 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.902 6.515 4.906 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.044 6.853 7.312 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.979 8.244 7.360 1.00 0.00 H new ATOM 399 N GLU A 28 -8.720 8.180 6.788 1.00 0.00 N ATOM 400 CA GLU A 28 -7.562 9.056 6.755 1.00 0.00 C ATOM 401 C GLU A 28 -6.580 8.598 5.674 1.00 0.00 C ATOM 402 O GLU A 28 -5.986 9.423 4.981 1.00 0.00 O ATOM 403 CB GLU A 28 -6.881 9.117 8.123 1.00 0.00 C ATOM 404 CG GLU A 28 -7.776 9.812 9.151 1.00 0.00 C ATOM 405 CD GLU A 28 -6.962 10.754 10.039 1.00 0.00 C ATOM 406 OE1 GLU A 28 -6.645 11.861 9.553 1.00 0.00 O ATOM 407 OE2 GLU A 28 -6.674 10.346 11.185 1.00 0.00 O ATOM 0 H GLU A 28 -9.072 7.973 7.723 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.900 10.063 6.509 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.648 8.108 8.462 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.935 9.652 8.039 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.556 10.374 8.638 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.275 9.065 9.768 1.00 0.00 H new ATOM 414 N VAL A 29 -6.441 7.285 5.563 1.00 0.00 N ATOM 415 CA VAL A 29 -5.542 6.708 4.579 1.00 0.00 C ATOM 416 C VAL A 29 -6.205 6.754 3.200 1.00 0.00 C ATOM 417 O VAL A 29 -5.614 7.246 2.240 1.00 0.00 O ATOM 418 CB VAL A 29 -5.141 5.294 5.002 1.00 0.00 C ATOM 419 CG1 VAL A 29 -4.245 4.639 3.948 1.00 0.00 C ATOM 420 CG2 VAL A 29 -4.460 5.304 6.372 1.00 0.00 C ATOM 0 H VAL A 29 -6.936 6.604 6.139 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.621 7.288 4.517 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.050 4.699 5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.974 3.635 4.274 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.780 4.581 3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.341 5.234 3.818 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.185 4.286 6.649 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.564 5.923 6.328 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.145 5.710 7.116 1.00 0.00 H new ATOM 430 N LYS A 30 -7.423 6.236 3.147 1.00 0.00 N ATOM 431 CA LYS A 30 -8.172 6.212 1.902 1.00 0.00 C ATOM 432 C LYS A 30 -8.114 7.595 1.250 1.00 0.00 C ATOM 433 O LYS A 30 -8.146 7.710 0.026 1.00 0.00 O ATOM 434 CB LYS A 30 -9.596 5.705 2.143 1.00 0.00 C ATOM 435 CG LYS A 30 -10.455 5.864 0.887 1.00 0.00 C ATOM 436 CD LYS A 30 -11.939 5.953 1.246 1.00 0.00 C ATOM 437 CE LYS A 30 -12.735 4.836 0.567 1.00 0.00 C ATOM 438 NZ LYS A 30 -14.184 5.010 0.810 1.00 0.00 N ATOM 0 H LYS A 30 -7.910 5.830 3.946 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.722 5.509 1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.567 4.656 2.438 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.047 6.256 2.968 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.153 6.761 0.347 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.289 5.019 0.219 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.060 5.885 2.327 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.333 6.922 0.941 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.537 4.840 -0.505 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -12.410 3.867 0.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.709 4.244 0.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.370 4.983 1.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.493 5.926 0.426 1.00 0.00 H new ATOM 452 N ALA A 31 -8.030 8.610 2.097 1.00 0.00 N ATOM 453 CA ALA A 31 -7.968 9.981 1.619 1.00 0.00 C ATOM 454 C ALA A 31 -6.560 10.269 1.094 1.00 0.00 C ATOM 455 O ALA A 31 -6.397 10.737 -0.032 1.00 0.00 O ATOM 456 CB ALA A 31 -8.377 10.934 2.744 1.00 0.00 C ATOM 0 H ALA A 31 -8.003 8.511 3.112 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.665 10.132 0.795 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.330 11.962 2.385 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.395 10.706 3.062 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.698 10.813 3.588 1.00 0.00 H new ATOM 462 N MET A 32 -5.578 9.978 1.935 1.00 0.00 N ATOM 463 CA MET A 32 -4.189 10.200 1.569 1.00 0.00 C ATOM 464 C MET A 32 -3.852 9.507 0.247 1.00 0.00 C ATOM 465 O MET A 32 -3.291 10.125 -0.656 1.00 0.00 O ATOM 466 CB MET A 32 -3.278 9.662 2.674 1.00 0.00 C ATOM 467 CG MET A 32 -2.542 10.802 3.381 1.00 0.00 C ATOM 468 SD MET A 32 -1.384 11.568 2.260 1.00 0.00 S ATOM 469 CE MET A 32 0.148 10.910 2.899 1.00 0.00 C ATOM 0 H MET A 32 -5.717 9.591 2.868 1.00 0.00 H new ATOM 0 HA MET A 32 -4.032 11.272 1.446 1.00 0.00 H new ATOM 0 HB2 MET A 32 -3.870 9.102 3.398 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.555 8.967 2.248 1.00 0.00 H new ATOM 0 HG2 MET A 32 -3.258 11.542 3.739 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.016 10.419 4.255 1.00 0.00 H new ATOM 0 HE1 MET A 32 0.769 11.727 3.267 1.00 0.00 H new ATOM 0 HE2 MET A 32 -0.065 10.220 3.715 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.676 10.382 2.105 1.00 0.00 H new ATOM 479 N ILE A 33 -4.210 8.233 0.176 1.00 0.00 N ATOM 480 CA ILE A 33 -3.952 7.450 -1.021 1.00 0.00 C ATOM 481 C ILE A 33 -4.658 8.100 -2.212 1.00 0.00 C ATOM 482 O ILE A 33 -4.228 7.942 -3.354 1.00 0.00 O ATOM 483 CB ILE A 33 -4.343 5.987 -0.798 1.00 0.00 C ATOM 484 CG1 ILE A 33 -3.572 5.386 0.379 1.00 0.00 C ATOM 485 CG2 ILE A 33 -4.163 5.170 -2.079 1.00 0.00 C ATOM 486 CD1 ILE A 33 -4.300 4.166 0.947 1.00 0.00 C ATOM 0 H ILE A 33 -4.676 7.724 0.927 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.886 7.441 -1.248 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.401 5.952 -0.540 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.572 5.098 0.054 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.450 6.137 1.160 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.448 4.134 -1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.793 5.584 -2.866 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.120 5.209 -2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.730 3.759 1.782 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.290 4.462 1.293 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.399 3.407 0.171 1.00 0.00 H new ATOM 498 N GLU A 34 -5.728 8.818 -1.906 1.00 0.00 N ATOM 499 CA GLU A 34 -6.497 9.493 -2.937 1.00 0.00 C ATOM 500 C GLU A 34 -5.855 10.838 -3.284 1.00 0.00 C ATOM 501 O GLU A 34 -5.518 11.089 -4.440 1.00 0.00 O ATOM 502 CB GLU A 34 -7.953 9.676 -2.505 1.00 0.00 C ATOM 503 CG GLU A 34 -8.800 8.465 -2.901 1.00 0.00 C ATOM 504 CD GLU A 34 -10.251 8.873 -3.164 1.00 0.00 C ATOM 505 OE1 GLU A 34 -10.912 9.282 -2.185 1.00 0.00 O ATOM 506 OE2 GLU A 34 -10.667 8.766 -4.338 1.00 0.00 O ATOM 0 H GLU A 34 -6.081 8.947 -0.958 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.494 8.869 -3.831 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.000 9.820 -1.426 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.362 10.576 -2.965 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.382 8.000 -3.794 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.767 7.718 -2.108 1.00 0.00 H new ATOM 513 N LYS A 35 -5.705 11.667 -2.261 1.00 0.00 N ATOM 514 CA LYS A 35 -5.109 12.979 -2.443 1.00 0.00 C ATOM 515 C LYS A 35 -3.795 12.836 -3.214 1.00 0.00 C ATOM 516 O LYS A 35 -3.562 13.548 -4.189 1.00 0.00 O ATOM 517 CB LYS A 35 -4.958 13.691 -1.097 1.00 0.00 C ATOM 518 CG LYS A 35 -3.884 14.778 -1.169 1.00 0.00 C ATOM 519 CD LYS A 35 -2.550 14.268 -0.620 1.00 0.00 C ATOM 520 CE LYS A 35 -2.459 14.488 0.892 1.00 0.00 C ATOM 521 NZ LYS A 35 -2.369 15.932 1.201 1.00 0.00 N ATOM 0 H LYS A 35 -5.986 11.455 -1.304 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.762 13.614 -3.042 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.911 14.135 -0.807 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.696 12.967 -0.326 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.757 15.100 -2.202 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.206 15.650 -0.600 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.443 13.207 -0.844 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.728 14.783 -1.116 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -3.334 14.059 1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.586 13.970 1.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.883 16.063 2.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.834 16.415 0.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.326 16.335 1.258 1.00 0.00 H new ATOM 535 N LEU A 36 -2.971 11.909 -2.747 1.00 0.00 N ATOM 536 CA LEU A 36 -1.686 11.663 -3.380 1.00 0.00 C ATOM 537 C LEU A 36 -1.896 11.437 -4.878 1.00 0.00 C ATOM 538 O LEU A 36 -1.140 11.955 -5.699 1.00 0.00 O ATOM 539 CB LEU A 36 -0.956 10.514 -2.681 1.00 0.00 C ATOM 540 CG LEU A 36 -0.351 10.837 -1.313 1.00 0.00 C ATOM 541 CD1 LEU A 36 -0.236 9.577 -0.453 1.00 0.00 C ATOM 542 CD2 LEU A 36 0.992 11.554 -1.463 1.00 0.00 C ATOM 0 H LEU A 36 -3.168 11.320 -1.938 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.037 12.533 -3.276 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.654 9.686 -2.561 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.158 10.165 -3.336 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.024 11.520 -0.794 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.197 9.835 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.226 9.146 -0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.403 8.851 -0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.400 11.772 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.686 10.916 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.848 12.486 -2.010 1.00 0.00 H new ATOM 554 N GLY A 37 -2.925 10.663 -5.190 1.00 0.00 N ATOM 555 CA GLY A 37 -3.243 10.363 -6.575 1.00 0.00 C ATOM 556 C GLY A 37 -3.655 8.898 -6.738 1.00 0.00 C ATOM 557 O GLY A 37 -4.160 8.505 -7.788 1.00 0.00 O ATOM 0 H GLY A 37 -3.549 10.235 -4.507 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.050 11.012 -6.915 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.378 10.574 -7.204 1.00 0.00 H new ATOM 561 N GLY A 38 -3.422 8.131 -5.683 1.00 0.00 N ATOM 562 CA GLY A 38 -3.762 6.718 -5.696 1.00 0.00 C ATOM 563 C GLY A 38 -5.239 6.506 -5.357 1.00 0.00 C ATOM 564 O GLY A 38 -6.038 7.438 -5.439 1.00 0.00 O ATOM 0 H GLY A 38 -3.002 8.461 -4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.547 6.298 -6.678 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.140 6.184 -4.978 1.00 0.00 H new ATOM 568 N LYS A 39 -5.556 5.276 -4.983 1.00 0.00 N ATOM 569 CA LYS A 39 -6.923 4.930 -4.631 1.00 0.00 C ATOM 570 C LYS A 39 -6.917 3.679 -3.749 1.00 0.00 C ATOM 571 O LYS A 39 -6.248 2.697 -4.064 1.00 0.00 O ATOM 572 CB LYS A 39 -7.782 4.791 -5.890 1.00 0.00 C ATOM 573 CG LYS A 39 -8.437 6.123 -6.256 1.00 0.00 C ATOM 574 CD LYS A 39 -8.023 6.571 -7.659 1.00 0.00 C ATOM 575 CE LYS A 39 -9.201 6.489 -8.632 1.00 0.00 C ATOM 576 NZ LYS A 39 -9.173 5.208 -9.373 1.00 0.00 N ATOM 0 H LYS A 39 -4.890 4.506 -4.916 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.380 5.729 -4.048 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.165 4.445 -6.719 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.551 4.036 -5.728 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.521 6.024 -6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.153 6.884 -5.529 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.648 7.594 -7.622 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.206 5.945 -8.018 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.139 6.579 -8.085 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.160 7.323 -9.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.979 5.169 -10.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.286 5.137 -9.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -9.235 4.417 -8.701 1.00 0.00 H new ATOM 590 N LEU A 40 -7.671 3.757 -2.662 1.00 0.00 N ATOM 591 CA LEU A 40 -7.761 2.644 -1.733 1.00 0.00 C ATOM 592 C LEU A 40 -8.680 1.570 -2.318 1.00 0.00 C ATOM 593 O LEU A 40 -9.730 1.884 -2.877 1.00 0.00 O ATOM 594 CB LEU A 40 -8.191 3.135 -0.349 1.00 0.00 C ATOM 595 CG LEU A 40 -8.026 2.136 0.798 1.00 0.00 C ATOM 596 CD1 LEU A 40 -7.101 2.692 1.882 1.00 0.00 C ATOM 597 CD2 LEU A 40 -9.386 1.721 1.363 1.00 0.00 C ATOM 0 H LEU A 40 -8.225 4.574 -2.404 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.783 2.184 -1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.619 4.031 -0.109 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.239 3.430 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.553 1.237 0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.001 1.962 2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.120 2.896 1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.522 3.615 2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.240 1.011 2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.908 2.601 1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.980 1.255 0.577 1.00 0.00 H new ATOM 609 N THR A 41 -8.253 0.325 -2.167 1.00 0.00 N ATOM 610 CA THR A 41 -9.025 -0.797 -2.674 1.00 0.00 C ATOM 611 C THR A 41 -9.251 -1.831 -1.569 1.00 0.00 C ATOM 612 O THR A 41 -8.575 -1.805 -0.542 1.00 0.00 O ATOM 613 CB THR A 41 -8.295 -1.362 -3.894 1.00 0.00 C ATOM 614 OG1 THR A 41 -9.096 -2.469 -4.297 1.00 0.00 O ATOM 615 CG2 THR A 41 -6.947 -1.989 -3.531 1.00 0.00 C ATOM 0 H THR A 41 -7.383 0.068 -1.701 1.00 0.00 H new ATOM 0 HA THR A 41 -10.019 -0.482 -2.990 1.00 0.00 H new ATOM 0 HB THR A 41 -8.141 -0.568 -4.624 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.790 -2.794 -5.169 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.471 -2.375 -4.432 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.306 -1.234 -3.076 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.104 -2.805 -2.826 1.00 0.00 H new ATOM 623 N GLY A 42 -10.205 -2.717 -1.817 1.00 0.00 N ATOM 624 CA GLY A 42 -10.528 -3.757 -0.856 1.00 0.00 C ATOM 625 C GLY A 42 -9.865 -5.082 -1.239 1.00 0.00 C ATOM 626 O GLY A 42 -9.414 -5.828 -0.371 1.00 0.00 O ATOM 0 H GLY A 42 -10.764 -2.736 -2.670 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.197 -3.455 0.138 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.609 -3.888 -0.806 1.00 0.00 H new ATOM 630 N THR A 43 -9.828 -5.335 -2.539 1.00 0.00 N ATOM 631 CA THR A 43 -9.229 -6.557 -3.047 1.00 0.00 C ATOM 632 C THR A 43 -7.719 -6.378 -3.220 1.00 0.00 C ATOM 633 O THR A 43 -7.255 -5.295 -3.573 1.00 0.00 O ATOM 634 CB THR A 43 -9.949 -6.933 -4.343 1.00 0.00 C ATOM 635 OG1 THR A 43 -11.312 -7.076 -3.955 1.00 0.00 O ATOM 636 CG2 THR A 43 -9.557 -8.324 -4.848 1.00 0.00 C ATOM 0 H THR A 43 -10.203 -4.714 -3.256 1.00 0.00 H new ATOM 0 HA THR A 43 -9.349 -7.380 -2.342 1.00 0.00 H new ATOM 0 HB THR A 43 -9.725 -6.192 -5.110 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.851 -7.318 -4.737 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.096 -8.542 -5.770 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.484 -8.353 -5.040 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.811 -9.070 -4.095 1.00 0.00 H new ATOM 644 N ALA A 44 -6.994 -7.457 -2.964 1.00 0.00 N ATOM 645 CA ALA A 44 -5.547 -7.433 -3.087 1.00 0.00 C ATOM 646 C ALA A 44 -5.160 -7.674 -4.548 1.00 0.00 C ATOM 647 O ALA A 44 -4.412 -6.892 -5.133 1.00 0.00 O ATOM 648 CB ALA A 44 -4.937 -8.471 -2.143 1.00 0.00 C ATOM 0 H ALA A 44 -7.382 -8.354 -2.672 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.153 -6.459 -2.798 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.851 -8.453 -2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.218 -8.238 -1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.307 -9.462 -2.404 1.00 0.00 H new ATOM 654 N ASN A 45 -5.685 -8.761 -5.094 1.00 0.00 N ATOM 655 CA ASN A 45 -5.404 -9.115 -6.475 1.00 0.00 C ATOM 656 C ASN A 45 -5.696 -7.912 -7.375 1.00 0.00 C ATOM 657 O ASN A 45 -5.177 -7.824 -8.487 1.00 0.00 O ATOM 658 CB ASN A 45 -6.286 -10.276 -6.937 1.00 0.00 C ATOM 659 CG ASN A 45 -5.436 -11.475 -7.363 1.00 0.00 C ATOM 660 OD1 ASN A 45 -4.462 -11.352 -8.087 1.00 0.00 O ATOM 661 ND2 ASN A 45 -5.858 -12.638 -6.875 1.00 0.00 N ATOM 0 H ASN A 45 -6.303 -9.408 -4.605 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.357 -9.410 -6.541 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -6.958 -10.570 -6.131 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.910 -9.954 -7.770 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -5.358 -13.498 -7.102 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -6.682 -12.670 -6.274 1.00 0.00 H new ATOM 668 N LYS A 46 -6.526 -7.017 -6.861 1.00 0.00 N ATOM 669 CA LYS A 46 -6.894 -5.823 -7.604 1.00 0.00 C ATOM 670 C LYS A 46 -6.315 -4.593 -6.903 1.00 0.00 C ATOM 671 O LYS A 46 -7.015 -3.601 -6.703 1.00 0.00 O ATOM 672 CB LYS A 46 -8.409 -5.762 -7.803 1.00 0.00 C ATOM 673 CG LYS A 46 -8.919 -7.011 -8.524 1.00 0.00 C ATOM 674 CD LYS A 46 -9.656 -6.638 -9.812 1.00 0.00 C ATOM 675 CE LYS A 46 -10.164 -7.888 -10.535 1.00 0.00 C ATOM 676 NZ LYS A 46 -9.033 -8.645 -11.117 1.00 0.00 N ATOM 0 H LYS A 46 -6.955 -7.094 -5.939 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.465 -5.850 -8.606 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.903 -5.669 -6.836 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.668 -4.874 -8.380 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.081 -7.668 -8.757 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.587 -7.567 -7.867 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.495 -5.983 -9.578 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.989 -6.080 -10.469 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.713 -8.521 -9.838 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.861 -7.602 -11.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -9.400 -9.390 -11.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.428 -8.000 -11.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.475 -9.078 -10.353 1.00 0.00 H new ATOM 690 N ALA A 47 -5.042 -4.697 -6.549 1.00 0.00 N ATOM 691 CA ALA A 47 -4.361 -3.605 -5.875 1.00 0.00 C ATOM 692 C ALA A 47 -2.950 -3.458 -6.448 1.00 0.00 C ATOM 693 O ALA A 47 -2.423 -4.389 -7.056 1.00 0.00 O ATOM 694 CB ALA A 47 -4.354 -3.861 -4.367 1.00 0.00 C ATOM 0 H ALA A 47 -4.465 -5.521 -6.716 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.885 -2.664 -6.044 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.843 -3.042 -3.861 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.380 -3.928 -4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.834 -4.796 -4.159 1.00 0.00 H new ATOM 700 N SER A 48 -2.379 -2.282 -6.235 1.00 0.00 N ATOM 701 CA SER A 48 -1.039 -2.001 -6.722 1.00 0.00 C ATOM 702 C SER A 48 -0.061 -1.920 -5.548 1.00 0.00 C ATOM 703 O SER A 48 1.115 -2.253 -5.691 1.00 0.00 O ATOM 704 CB SER A 48 -1.008 -0.702 -7.530 1.00 0.00 C ATOM 705 OG SER A 48 -1.890 -0.747 -8.648 1.00 0.00 O ATOM 0 H SER A 48 -2.820 -1.512 -5.732 1.00 0.00 H new ATOM 0 HA SER A 48 -0.737 -2.815 -7.382 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.283 0.133 -6.885 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.008 -0.515 -7.877 1.00 0.00 H new ATOM 0 HG SER A 48 -1.842 0.101 -9.137 1.00 0.00 H new ATOM 711 N LEU A 49 -0.583 -1.476 -4.414 1.00 0.00 N ATOM 712 CA LEU A 49 0.230 -1.348 -3.217 1.00 0.00 C ATOM 713 C LEU A 49 -0.515 -1.966 -2.032 1.00 0.00 C ATOM 714 O LEU A 49 -1.738 -2.094 -2.061 1.00 0.00 O ATOM 715 CB LEU A 49 0.632 0.112 -2.996 1.00 0.00 C ATOM 716 CG LEU A 49 2.015 0.342 -2.384 1.00 0.00 C ATOM 717 CD1 LEU A 49 3.078 -0.487 -3.106 1.00 0.00 C ATOM 718 CD2 LEU A 49 2.365 1.831 -2.364 1.00 0.00 C ATOM 0 H LEU A 49 -1.558 -1.201 -4.299 1.00 0.00 H new ATOM 0 HA LEU A 49 1.164 -1.898 -3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.591 0.629 -3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.111 0.579 -2.350 1.00 0.00 H new ATOM 0 HG LEU A 49 1.991 0.003 -1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.052 -0.305 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.831 -1.546 -3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.109 -0.202 -4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.353 1.967 -1.924 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.365 2.218 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.627 2.370 -1.771 1.00 0.00 H new ATOM 730 N CYS A 50 0.254 -2.333 -1.017 1.00 0.00 N ATOM 731 CA CYS A 50 -0.317 -2.934 0.176 1.00 0.00 C ATOM 732 C CYS A 50 0.359 -2.312 1.399 1.00 0.00 C ATOM 733 O CYS A 50 1.561 -2.478 1.600 1.00 0.00 O ATOM 734 CB CYS A 50 -0.180 -4.458 0.162 1.00 0.00 C ATOM 735 SG CYS A 50 -1.401 -5.207 1.301 1.00 0.00 S ATOM 0 H CYS A 50 1.268 -2.226 -0.997 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.387 -2.731 0.212 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.334 -4.836 -0.849 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.829 -4.743 0.459 1.00 0.00 H new ATOM 0 HG CYS A 50 -0.926 -6.320 1.776 1.00 0.00 H new ATOM 741 N ILE A 51 -0.443 -1.608 2.184 1.00 0.00 N ATOM 742 CA ILE A 51 0.062 -0.959 3.382 1.00 0.00 C ATOM 743 C ILE A 51 -0.338 -1.781 4.609 1.00 0.00 C ATOM 744 O ILE A 51 -1.433 -1.611 5.144 1.00 0.00 O ATOM 745 CB ILE A 51 -0.402 0.498 3.439 1.00 0.00 C ATOM 746 CG1 ILE A 51 0.121 1.287 2.238 1.00 0.00 C ATOM 747 CG2 ILE A 51 -0.007 1.147 4.767 1.00 0.00 C ATOM 748 CD1 ILE A 51 -0.163 2.782 2.398 1.00 0.00 C ATOM 0 H ILE A 51 -1.440 -1.473 2.014 1.00 0.00 H new ATOM 0 HA ILE A 51 1.151 -0.921 3.364 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.491 0.513 3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.194 1.126 2.132 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.348 0.920 1.325 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.348 2.182 4.782 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.468 0.601 5.590 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.077 1.121 4.876 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.219 3.320 1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.238 2.941 2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.327 3.151 3.299 1.00 0.00 H new ATOM 760 N SER A 52 0.570 -2.653 5.020 1.00 0.00 N ATOM 761 CA SER A 52 0.326 -3.502 6.174 1.00 0.00 C ATOM 762 C SER A 52 1.447 -3.326 7.199 1.00 0.00 C ATOM 763 O SER A 52 2.299 -2.451 7.050 1.00 0.00 O ATOM 764 CB SER A 52 0.208 -4.971 5.762 1.00 0.00 C ATOM 765 OG SER A 52 -0.529 -5.734 6.714 1.00 0.00 O ATOM 0 H SER A 52 1.477 -2.790 4.574 1.00 0.00 H new ATOM 0 HA SER A 52 -0.620 -3.203 6.625 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.279 -5.037 4.789 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.205 -5.397 5.649 1.00 0.00 H new ATOM 0 HG SER A 52 -1.185 -5.157 7.158 1.00 0.00 H new ATOM 771 N THR A 53 1.412 -4.173 8.218 1.00 0.00 N ATOM 772 CA THR A 53 2.415 -4.122 9.268 1.00 0.00 C ATOM 773 C THR A 53 3.236 -5.413 9.283 1.00 0.00 C ATOM 774 O THR A 53 2.758 -6.463 8.858 1.00 0.00 O ATOM 775 CB THR A 53 1.700 -3.841 10.592 1.00 0.00 C ATOM 776 OG1 THR A 53 0.700 -4.854 10.668 1.00 0.00 O ATOM 777 CG2 THR A 53 0.906 -2.534 10.562 1.00 0.00 C ATOM 0 H THR A 53 0.705 -4.898 8.338 1.00 0.00 H new ATOM 0 HA THR A 53 3.131 -3.320 9.092 1.00 0.00 H new ATOM 0 HB THR A 53 2.432 -3.802 11.399 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.189 -4.748 11.498 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.418 -2.382 11.525 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.582 -1.702 10.362 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.151 -2.585 9.777 1.00 0.00 H new ATOM 785 N LYS A 54 4.460 -5.292 9.778 1.00 0.00 N ATOM 786 CA LYS A 54 5.352 -6.435 9.854 1.00 0.00 C ATOM 787 C LYS A 54 4.580 -7.645 10.385 1.00 0.00 C ATOM 788 O LYS A 54 4.520 -8.684 9.729 1.00 0.00 O ATOM 789 CB LYS A 54 6.596 -6.091 10.676 1.00 0.00 C ATOM 790 CG LYS A 54 7.498 -7.315 10.846 1.00 0.00 C ATOM 791 CD LYS A 54 8.342 -7.551 9.592 1.00 0.00 C ATOM 792 CE LYS A 54 9.809 -7.195 9.842 1.00 0.00 C ATOM 793 NZ LYS A 54 10.682 -7.874 8.859 1.00 0.00 N ATOM 0 H LYS A 54 4.854 -4.419 10.130 1.00 0.00 H new ATOM 0 HA LYS A 54 5.717 -6.699 8.861 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.151 -5.292 10.185 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.297 -5.717 11.655 1.00 0.00 H new ATOM 0 HG2 LYS A 54 8.151 -7.173 11.707 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.888 -8.195 11.050 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.264 -8.595 9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.954 -6.950 8.770 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.944 -6.116 9.773 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.093 -7.488 10.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.674 -7.622 9.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.565 -8.904 8.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.421 -7.574 7.898 1.00 0.00 H new ATOM 807 N LYS A 55 4.009 -7.470 11.568 1.00 0.00 N ATOM 808 CA LYS A 55 3.244 -8.534 12.194 1.00 0.00 C ATOM 809 C LYS A 55 2.403 -9.245 11.132 1.00 0.00 C ATOM 810 O LYS A 55 2.630 -10.418 10.837 1.00 0.00 O ATOM 811 CB LYS A 55 2.423 -7.987 13.363 1.00 0.00 C ATOM 812 CG LYS A 55 3.300 -7.776 14.599 1.00 0.00 C ATOM 813 CD LYS A 55 2.548 -8.153 15.877 1.00 0.00 C ATOM 814 CE LYS A 55 3.191 -9.364 16.554 1.00 0.00 C ATOM 815 NZ LYS A 55 3.480 -9.070 17.976 1.00 0.00 N ATOM 0 H LYS A 55 4.061 -6.607 12.109 1.00 0.00 H new ATOM 0 HA LYS A 55 3.912 -9.280 12.625 1.00 0.00 H new ATOM 0 HB2 LYS A 55 1.960 -7.043 13.076 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.615 -8.679 13.600 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.205 -8.378 14.514 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.615 -6.734 14.652 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.545 -7.307 16.564 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.508 -8.375 15.639 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.525 -10.224 16.482 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.113 -9.630 16.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.916 -9.903 18.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.132 -8.263 18.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.594 -8.838 18.469 1.00 0.00 H new ATOM 829 N GLU A 56 1.449 -8.506 10.585 1.00 0.00 N ATOM 830 CA GLU A 56 0.574 -9.051 9.562 1.00 0.00 C ATOM 831 C GLU A 56 1.369 -9.931 8.596 1.00 0.00 C ATOM 832 O GLU A 56 1.106 -11.128 8.481 1.00 0.00 O ATOM 833 CB GLU A 56 -0.154 -7.934 8.811 1.00 0.00 C ATOM 834 CG GLU A 56 -1.608 -7.820 9.273 1.00 0.00 C ATOM 835 CD GLU A 56 -1.685 -7.479 10.763 1.00 0.00 C ATOM 836 OE1 GLU A 56 -1.574 -8.428 11.569 1.00 0.00 O ATOM 837 OE2 GLU A 56 -1.854 -6.277 11.062 1.00 0.00 O ATOM 0 H GLU A 56 1.263 -7.534 10.831 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.180 -9.669 10.049 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.359 -6.986 8.975 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.124 -8.131 7.739 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.118 -7.051 8.693 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.128 -8.759 9.084 1.00 0.00 H new ATOM 844 N VAL A 57 2.327 -9.306 7.927 1.00 0.00 N ATOM 845 CA VAL A 57 3.162 -10.018 6.975 1.00 0.00 C ATOM 846 C VAL A 57 3.697 -11.294 7.628 1.00 0.00 C ATOM 847 O VAL A 57 3.815 -12.328 6.973 1.00 0.00 O ATOM 848 CB VAL A 57 4.272 -9.098 6.462 1.00 0.00 C ATOM 849 CG1 VAL A 57 4.980 -9.714 5.254 1.00 0.00 C ATOM 850 CG2 VAL A 57 3.723 -7.710 6.128 1.00 0.00 C ATOM 0 H VAL A 57 2.543 -8.314 8.026 1.00 0.00 H new ATOM 0 HA VAL A 57 2.579 -10.318 6.104 1.00 0.00 H new ATOM 0 HB VAL A 57 5.008 -8.984 7.258 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.764 -9.040 4.909 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.422 -10.669 5.539 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.259 -9.873 4.452 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.532 -7.076 5.766 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.958 -7.797 5.357 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.287 -7.266 7.023 1.00 0.00 H new ATOM 860 N GLU A 58 4.008 -11.179 8.911 1.00 0.00 N ATOM 861 CA GLU A 58 4.527 -12.311 9.659 1.00 0.00 C ATOM 862 C GLU A 58 3.420 -13.338 9.906 1.00 0.00 C ATOM 863 O GLU A 58 3.694 -14.528 10.051 1.00 0.00 O ATOM 864 CB GLU A 58 5.156 -11.854 10.978 1.00 0.00 C ATOM 865 CG GLU A 58 6.679 -11.768 10.858 1.00 0.00 C ATOM 866 CD GLU A 58 7.266 -13.091 10.362 1.00 0.00 C ATOM 867 OE1 GLU A 58 6.822 -14.138 10.880 1.00 0.00 O ATOM 868 OE2 GLU A 58 8.145 -13.025 9.476 1.00 0.00 O ATOM 0 H GLU A 58 3.910 -10.319 9.451 1.00 0.00 H new ATOM 0 HA GLU A 58 5.309 -12.785 9.066 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.754 -10.880 11.259 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.889 -12.550 11.773 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.948 -10.966 10.171 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.110 -11.515 11.827 1.00 0.00 H new ATOM 875 N LYS A 59 2.193 -12.839 9.948 1.00 0.00 N ATOM 876 CA LYS A 59 1.044 -13.699 10.175 1.00 0.00 C ATOM 877 C LYS A 59 0.692 -14.426 8.876 1.00 0.00 C ATOM 878 O LYS A 59 0.282 -15.586 8.901 1.00 0.00 O ATOM 879 CB LYS A 59 -0.118 -12.895 10.763 1.00 0.00 C ATOM 880 CG LYS A 59 -1.350 -12.969 9.859 1.00 0.00 C ATOM 881 CD LYS A 59 -2.580 -12.391 10.561 1.00 0.00 C ATOM 882 CE LYS A 59 -2.890 -10.982 10.052 1.00 0.00 C ATOM 883 NZ LYS A 59 -4.288 -10.612 10.369 1.00 0.00 N ATOM 0 H LYS A 59 1.970 -11.851 9.829 1.00 0.00 H new ATOM 0 HA LYS A 59 1.281 -14.464 10.915 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.366 -13.278 11.753 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.182 -11.855 10.890 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.162 -12.420 8.936 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.539 -14.006 9.580 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.439 -13.040 10.391 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.410 -12.363 11.637 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.206 -10.266 10.507 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.730 -10.935 8.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.482 -9.653 10.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.937 -11.286 9.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.429 -10.637 11.399 1.00 0.00 H new ATOM 897 N MET A 60 0.865 -13.715 7.771 1.00 0.00 N ATOM 898 CA MET A 60 0.571 -14.279 6.464 1.00 0.00 C ATOM 899 C MET A 60 -0.882 -14.752 6.386 1.00 0.00 C ATOM 900 O MET A 60 -1.146 -15.907 6.057 1.00 0.00 O ATOM 901 CB MET A 60 1.507 -15.459 6.195 1.00 0.00 C ATOM 902 CG MET A 60 2.772 -15.000 5.467 1.00 0.00 C ATOM 903 SD MET A 60 2.490 -14.980 3.705 1.00 0.00 S ATOM 904 CE MET A 60 2.083 -13.257 3.477 1.00 0.00 C ATOM 0 H MET A 60 1.205 -12.753 7.754 1.00 0.00 H new ATOM 0 HA MET A 60 0.723 -13.505 5.712 1.00 0.00 H new ATOM 0 HB2 MET A 60 1.778 -15.935 7.137 1.00 0.00 H new ATOM 0 HB3 MET A 60 0.990 -16.209 5.596 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.057 -14.005 5.809 1.00 0.00 H new ATOM 0 HG3 MET A 60 3.600 -15.668 5.703 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.291 -12.967 2.447 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.026 -13.101 3.691 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.684 -12.649 4.153 1.00 0.00 H new ATOM 914 N ASN A 61 -1.787 -13.834 6.693 1.00 0.00 N ATOM 915 CA ASN A 61 -3.206 -14.142 6.661 1.00 0.00 C ATOM 916 C ASN A 61 -3.676 -14.212 5.207 1.00 0.00 C ATOM 917 O ASN A 61 -2.947 -13.824 4.296 1.00 0.00 O ATOM 918 CB ASN A 61 -4.021 -13.058 7.370 1.00 0.00 C ATOM 919 CG ASN A 61 -5.464 -13.515 7.594 1.00 0.00 C ATOM 920 OD1 ASN A 61 -5.732 -14.527 8.221 1.00 0.00 O ATOM 921 ND2 ASN A 61 -6.376 -12.716 7.047 1.00 0.00 N ATOM 0 H ASN A 61 -1.565 -12.876 6.965 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.356 -15.095 7.168 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.559 -12.819 8.328 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -4.013 -12.145 6.775 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.368 -12.935 7.140 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.084 -11.884 6.535 1.00 0.00 H new ATOM 928 N LYS A 62 -4.892 -14.710 5.035 1.00 0.00 N ATOM 929 CA LYS A 62 -5.467 -14.836 3.706 1.00 0.00 C ATOM 930 C LYS A 62 -5.332 -13.503 2.968 1.00 0.00 C ATOM 931 O LYS A 62 -4.979 -13.475 1.790 1.00 0.00 O ATOM 932 CB LYS A 62 -6.907 -15.348 3.793 1.00 0.00 C ATOM 933 CG LYS A 62 -6.939 -16.839 4.136 1.00 0.00 C ATOM 934 CD LYS A 62 -7.907 -17.591 3.221 1.00 0.00 C ATOM 935 CE LYS A 62 -8.785 -18.553 4.023 1.00 0.00 C ATOM 936 NZ LYS A 62 -9.699 -19.293 3.125 1.00 0.00 N ATOM 0 H LYS A 62 -5.494 -15.031 5.793 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.923 -15.579 3.124 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.452 -14.785 4.551 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.415 -15.179 2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -5.938 -17.260 4.038 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.239 -16.970 5.176 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -8.536 -16.879 2.687 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.346 -18.146 2.470 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -8.158 -19.255 4.572 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -9.363 -17.997 4.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.287 -19.941 3.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -10.310 -18.620 2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.143 -19.839 2.436 1.00 0.00 H new ATOM 950 N LYS A 63 -5.618 -12.431 3.691 1.00 0.00 N ATOM 951 CA LYS A 63 -5.533 -11.098 3.119 1.00 0.00 C ATOM 952 C LYS A 63 -4.121 -10.871 2.574 1.00 0.00 C ATOM 953 O LYS A 63 -3.953 -10.478 1.421 1.00 0.00 O ATOM 954 CB LYS A 63 -5.974 -10.047 4.140 1.00 0.00 C ATOM 955 CG LYS A 63 -7.449 -9.685 3.952 1.00 0.00 C ATOM 956 CD LYS A 63 -7.597 -8.386 3.156 1.00 0.00 C ATOM 957 CE LYS A 63 -8.907 -7.677 3.502 1.00 0.00 C ATOM 958 NZ LYS A 63 -8.808 -7.024 4.827 1.00 0.00 N ATOM 0 H LYS A 63 -5.909 -12.458 4.668 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.220 -11.000 2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.815 -10.426 5.149 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.360 -9.153 4.035 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.963 -10.494 3.433 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.927 -9.576 4.925 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.755 -7.727 3.369 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -7.569 -8.604 2.088 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.137 -6.933 2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.727 -8.395 3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.569 -6.322 4.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.899 -7.741 5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.886 -6.550 4.912 1.00 0.00 H new ATOM 972 N MET A 64 -3.143 -11.128 3.430 1.00 0.00 N ATOM 973 CA MET A 64 -1.751 -10.957 3.049 1.00 0.00 C ATOM 974 C MET A 64 -1.338 -11.992 2.001 1.00 0.00 C ATOM 975 O MET A 64 -0.309 -11.841 1.346 1.00 0.00 O ATOM 976 CB MET A 64 -0.862 -11.099 4.286 1.00 0.00 C ATOM 977 CG MET A 64 0.577 -10.681 3.977 1.00 0.00 C ATOM 978 SD MET A 64 0.663 -8.913 3.744 1.00 0.00 S ATOM 979 CE MET A 64 0.177 -8.363 5.371 1.00 0.00 C ATOM 0 H MET A 64 -3.287 -11.453 4.386 1.00 0.00 H new ATOM 0 HA MET A 64 -1.631 -9.963 2.617 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.257 -10.485 5.095 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.878 -12.132 4.633 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.235 -10.981 4.793 1.00 0.00 H new ATOM 0 HG3 MET A 64 0.928 -11.192 3.080 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.772 -7.830 5.307 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.065 -9.225 6.028 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.941 -7.697 5.773 1.00 0.00 H new ATOM 989 N GLU A 65 -2.163 -13.022 1.876 1.00 0.00 N ATOM 990 CA GLU A 65 -1.896 -14.082 0.919 1.00 0.00 C ATOM 991 C GLU A 65 -2.322 -13.649 -0.485 1.00 0.00 C ATOM 992 O GLU A 65 -1.678 -14.006 -1.471 1.00 0.00 O ATOM 993 CB GLU A 65 -2.597 -15.379 1.329 1.00 0.00 C ATOM 994 CG GLU A 65 -1.775 -16.141 2.370 1.00 0.00 C ATOM 995 CD GLU A 65 -1.541 -17.588 1.933 1.00 0.00 C ATOM 996 OE1 GLU A 65 -2.548 -18.323 1.842 1.00 0.00 O ATOM 997 OE2 GLU A 65 -0.361 -17.927 1.699 1.00 0.00 O ATOM 0 H GLU A 65 -3.016 -13.145 2.422 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.823 -14.274 0.909 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.583 -15.151 1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.751 -16.007 0.451 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -0.817 -15.643 2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.293 -16.126 3.329 1.00 0.00 H new ATOM 1004 N GLU A 66 -3.404 -12.886 -0.532 1.00 0.00 N ATOM 1005 CA GLU A 66 -3.923 -12.400 -1.800 1.00 0.00 C ATOM 1006 C GLU A 66 -2.926 -11.436 -2.447 1.00 0.00 C ATOM 1007 O GLU A 66 -2.944 -11.242 -3.661 1.00 0.00 O ATOM 1008 CB GLU A 66 -5.288 -11.735 -1.614 1.00 0.00 C ATOM 1009 CG GLU A 66 -6.329 -12.746 -1.128 1.00 0.00 C ATOM 1010 CD GLU A 66 -7.385 -13.005 -2.204 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -6.980 -13.440 -3.304 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -8.574 -12.763 -1.903 1.00 0.00 O ATOM 0 H GLU A 66 -3.936 -12.592 0.287 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.059 -13.252 -2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.204 -10.920 -0.895 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.614 -11.296 -2.557 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.837 -13.682 -0.864 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.810 -12.372 -0.224 1.00 0.00 H new ATOM 1019 N VAL A 67 -2.081 -10.857 -1.607 1.00 0.00 N ATOM 1020 CA VAL A 67 -1.079 -9.918 -2.082 1.00 0.00 C ATOM 1021 C VAL A 67 0.235 -10.662 -2.329 1.00 0.00 C ATOM 1022 O VAL A 67 1.024 -10.266 -3.185 1.00 0.00 O ATOM 1023 CB VAL A 67 -0.934 -8.761 -1.090 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -1.648 -9.075 0.226 1.00 0.00 C ATOM 1025 CG2 VAL A 67 0.539 -8.427 -0.849 1.00 0.00 C ATOM 0 H VAL A 67 -2.070 -11.020 -0.600 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.387 -9.479 -3.031 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.409 -7.883 -1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.530 -8.237 0.913 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.708 -9.240 0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -1.216 -9.972 0.670 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.614 -7.602 -0.141 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.049 -9.301 -0.443 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.006 -8.140 -1.791 1.00 0.00 H new ATOM 1035 N LYS A 68 0.428 -11.725 -1.563 1.00 0.00 N ATOM 1036 CA LYS A 68 1.633 -12.528 -1.688 1.00 0.00 C ATOM 1037 C LYS A 68 1.645 -13.213 -3.056 1.00 0.00 C ATOM 1038 O LYS A 68 2.704 -13.582 -3.561 1.00 0.00 O ATOM 1039 CB LYS A 68 1.754 -13.500 -0.513 1.00 0.00 C ATOM 1040 CG LYS A 68 2.993 -14.386 -0.658 1.00 0.00 C ATOM 1041 CD LYS A 68 3.565 -14.758 0.711 1.00 0.00 C ATOM 1042 CE LYS A 68 4.973 -15.341 0.577 1.00 0.00 C ATOM 1043 NZ LYS A 68 4.930 -16.647 -0.117 1.00 0.00 N ATOM 0 H LYS A 68 -0.229 -12.049 -0.854 1.00 0.00 H new ATOM 0 HA LYS A 68 2.519 -11.895 -1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.810 -12.941 0.421 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.861 -14.123 -0.459 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.734 -15.292 -1.206 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.751 -13.865 -1.243 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.592 -13.875 1.350 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.912 -15.483 1.197 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.608 -14.649 0.024 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.418 -15.462 1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.887 -17.052 -0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.300 -17.294 0.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.572 -16.514 -1.085 1.00 0.00 H new ATOM 1057 N GLU A 69 0.454 -13.362 -3.618 1.00 0.00 N ATOM 1058 CA GLU A 69 0.314 -13.996 -4.918 1.00 0.00 C ATOM 1059 C GLU A 69 0.540 -12.974 -6.034 1.00 0.00 C ATOM 1060 O GLU A 69 1.234 -13.258 -7.009 1.00 0.00 O ATOM 1061 CB GLU A 69 -1.055 -14.666 -5.056 1.00 0.00 C ATOM 1062 CG GLU A 69 -1.301 -15.652 -3.913 1.00 0.00 C ATOM 1063 CD GLU A 69 -1.840 -16.982 -4.444 1.00 0.00 C ATOM 1064 OE1 GLU A 69 -1.503 -17.310 -5.602 1.00 0.00 O ATOM 1065 OE2 GLU A 69 -2.577 -17.642 -3.679 1.00 0.00 O ATOM 0 H GLU A 69 -0.423 -13.055 -3.197 1.00 0.00 H new ATOM 0 HA GLU A 69 1.073 -14.774 -5.006 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.837 -13.906 -5.060 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.113 -15.189 -6.011 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.372 -15.823 -3.369 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.011 -15.224 -3.205 1.00 0.00 H new ATOM 1072 N ALA A 70 -0.059 -11.806 -5.853 1.00 0.00 N ATOM 1073 CA ALA A 70 0.068 -10.741 -6.833 1.00 0.00 C ATOM 1074 C ALA A 70 1.377 -9.986 -6.592 1.00 0.00 C ATOM 1075 O ALA A 70 1.690 -9.035 -7.306 1.00 0.00 O ATOM 1076 CB ALA A 70 -1.155 -9.826 -6.754 1.00 0.00 C ATOM 0 H ALA A 70 -0.633 -11.574 -5.043 1.00 0.00 H new ATOM 0 HA ALA A 70 0.104 -11.151 -7.842 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.060 -9.027 -7.489 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.056 -10.404 -6.961 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.222 -9.394 -5.755 1.00 0.00 H new ATOM 1082 N ASN A 71 2.107 -10.439 -5.583 1.00 0.00 N ATOM 1083 CA ASN A 71 3.375 -9.819 -5.239 1.00 0.00 C ATOM 1084 C ASN A 71 3.192 -8.301 -5.164 1.00 0.00 C ATOM 1085 O ASN A 71 3.729 -7.566 -5.991 1.00 0.00 O ATOM 1086 CB ASN A 71 4.439 -10.115 -6.298 1.00 0.00 C ATOM 1087 CG ASN A 71 5.594 -10.923 -5.704 1.00 0.00 C ATOM 1088 OD1 ASN A 71 5.406 -11.844 -4.927 1.00 0.00 O ATOM 1089 ND2 ASN A 71 6.796 -10.528 -6.112 1.00 0.00 N ATOM 0 H ASN A 71 1.844 -11.228 -4.993 1.00 0.00 H new ATOM 0 HA ASN A 71 3.699 -10.224 -4.280 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.991 -10.667 -7.124 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.818 -9.179 -6.709 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.632 -11.004 -5.773 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.882 -9.749 -6.765 1.00 0.00 H new ATOM 1096 N ILE A 72 2.431 -7.878 -4.166 1.00 0.00 N ATOM 1097 CA ILE A 72 2.170 -6.461 -3.972 1.00 0.00 C ATOM 1098 C ILE A 72 3.069 -5.930 -2.854 1.00 0.00 C ATOM 1099 O ILE A 72 2.759 -6.090 -1.674 1.00 0.00 O ATOM 1100 CB ILE A 72 0.679 -6.219 -3.730 1.00 0.00 C ATOM 1101 CG1 ILE A 72 -0.173 -7.011 -4.725 1.00 0.00 C ATOM 1102 CG2 ILE A 72 0.355 -4.725 -3.759 1.00 0.00 C ATOM 1103 CD1 ILE A 72 -1.657 -6.932 -4.359 1.00 0.00 C ATOM 0 H ILE A 72 1.986 -8.491 -3.483 1.00 0.00 H new ATOM 0 HA ILE A 72 2.418 -5.901 -4.874 1.00 0.00 H new ATOM 0 HB ILE A 72 0.430 -6.582 -2.733 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.021 -6.620 -5.731 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.148 -8.053 -4.736 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.711 -4.580 -3.584 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.923 -4.214 -2.981 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.622 -4.314 -4.732 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.241 -7.503 -5.081 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.808 -7.346 -3.362 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.980 -5.891 -4.373 1.00 0.00 H new ATOM 1115 N ARG A 73 4.165 -5.309 -3.264 1.00 0.00 N ATOM 1116 CA ARG A 73 5.111 -4.753 -2.311 1.00 0.00 C ATOM 1117 C ARG A 73 4.375 -4.222 -1.080 1.00 0.00 C ATOM 1118 O ARG A 73 3.674 -3.214 -1.158 1.00 0.00 O ATOM 1119 CB ARG A 73 5.923 -3.619 -2.940 1.00 0.00 C ATOM 1120 CG ARG A 73 7.424 -3.849 -2.751 1.00 0.00 C ATOM 1121 CD ARG A 73 8.134 -2.549 -2.369 1.00 0.00 C ATOM 1122 NE ARG A 73 9.537 -2.580 -2.841 1.00 0.00 N ATOM 1123 CZ ARG A 73 9.893 -2.658 -4.130 1.00 0.00 C ATOM 1124 NH1 ARG A 73 8.953 -2.714 -5.083 1.00 0.00 N ATOM 1125 NH2 ARG A 73 11.190 -2.681 -4.467 1.00 0.00 N ATOM 0 H ARG A 73 4.419 -5.178 -4.243 1.00 0.00 H new ATOM 0 HA ARG A 73 5.791 -5.551 -2.015 1.00 0.00 H new ATOM 0 HB2 ARG A 73 5.693 -3.549 -4.003 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.637 -2.669 -2.489 1.00 0.00 H new ATOM 0 HG2 ARG A 73 7.586 -4.597 -1.975 1.00 0.00 H new ATOM 0 HG3 ARG A 73 7.854 -4.245 -3.671 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.613 -1.698 -2.808 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.108 -2.415 -1.288 1.00 0.00 H new ATOM 0 HE ARG A 73 10.278 -2.539 -2.141 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.966 -2.697 -4.827 1.00 0.00 H new ATOM 0 HH12 ARG A 73 9.225 -2.773 -6.064 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.906 -2.639 -3.742 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.461 -2.740 -5.449 1.00 0.00 H new ATOM 1139 N VAL A 74 4.558 -4.924 0.028 1.00 0.00 N ATOM 1140 CA VAL A 74 3.920 -4.536 1.275 1.00 0.00 C ATOM 1141 C VAL A 74 4.812 -3.533 2.009 1.00 0.00 C ATOM 1142 O VAL A 74 5.918 -3.871 2.427 1.00 0.00 O ATOM 1143 CB VAL A 74 3.604 -5.778 2.110 1.00 0.00 C ATOM 1144 CG1 VAL A 74 2.689 -5.430 3.286 1.00 0.00 C ATOM 1145 CG2 VAL A 74 2.989 -6.879 1.243 1.00 0.00 C ATOM 0 H VAL A 74 5.139 -5.760 0.089 1.00 0.00 H new ATOM 0 HA VAL A 74 2.968 -4.042 1.079 1.00 0.00 H new ATOM 0 HB VAL A 74 4.542 -6.156 2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.480 -6.331 3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.180 -4.696 3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.754 -5.015 2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.774 -7.751 1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.065 -6.515 0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.690 -7.156 0.456 1.00 0.00 H new ATOM 1155 N VAL A 75 4.298 -2.320 2.144 1.00 0.00 N ATOM 1156 CA VAL A 75 5.034 -1.265 2.820 1.00 0.00 C ATOM 1157 C VAL A 75 4.245 -0.806 4.048 1.00 0.00 C ATOM 1158 O VAL A 75 3.109 -1.230 4.255 1.00 0.00 O ATOM 1159 CB VAL A 75 5.335 -0.127 1.843 1.00 0.00 C ATOM 1160 CG1 VAL A 75 6.134 -0.634 0.641 1.00 0.00 C ATOM 1161 CG2 VAL A 75 4.046 0.565 1.393 1.00 0.00 C ATOM 0 H VAL A 75 3.380 -2.044 1.796 1.00 0.00 H new ATOM 0 HA VAL A 75 5.997 -1.636 3.171 1.00 0.00 H new ATOM 0 HB VAL A 75 5.946 0.610 2.365 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.335 0.195 -0.038 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.077 -1.059 0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.560 -1.400 0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.288 1.370 0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.398 -0.158 0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.532 0.977 2.261 1.00 0.00 H new ATOM 1171 N SER A 76 4.880 0.054 4.832 1.00 0.00 N ATOM 1172 CA SER A 76 4.252 0.576 6.034 1.00 0.00 C ATOM 1173 C SER A 76 3.477 1.854 5.707 1.00 0.00 C ATOM 1174 O SER A 76 3.410 2.265 4.550 1.00 0.00 O ATOM 1175 CB SER A 76 5.290 0.848 7.124 1.00 0.00 C ATOM 1176 OG SER A 76 5.636 2.228 7.198 1.00 0.00 O ATOM 0 H SER A 76 5.823 0.402 4.658 1.00 0.00 H new ATOM 0 HA SER A 76 3.558 -0.175 6.411 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.899 0.520 8.087 1.00 0.00 H new ATOM 0 HB3 SER A 76 6.186 0.260 6.927 1.00 0.00 H new ATOM 0 HG SER A 76 5.852 2.462 8.125 1.00 0.00 H new ATOM 1182 N GLU A 77 2.912 2.448 6.748 1.00 0.00 N ATOM 1183 CA GLU A 77 2.145 3.671 6.587 1.00 0.00 C ATOM 1184 C GLU A 77 3.082 4.875 6.481 1.00 0.00 C ATOM 1185 O GLU A 77 2.770 5.852 5.802 1.00 0.00 O ATOM 1186 CB GLU A 77 1.150 3.850 7.735 1.00 0.00 C ATOM 1187 CG GLU A 77 -0.220 4.285 7.211 1.00 0.00 C ATOM 1188 CD GLU A 77 -0.450 5.778 7.452 1.00 0.00 C ATOM 1189 OE1 GLU A 77 -0.029 6.251 8.530 1.00 0.00 O ATOM 1190 OE2 GLU A 77 -1.043 6.414 6.553 1.00 0.00 O ATOM 0 H GLU A 77 2.970 2.105 7.707 1.00 0.00 H new ATOM 0 HA GLU A 77 1.573 3.598 5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 77 1.052 2.914 8.285 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.528 4.594 8.436 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.291 4.070 6.145 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.002 3.708 7.705 1.00 0.00 H new ATOM 1197 N ASP A 78 4.213 4.766 7.162 1.00 0.00 N ATOM 1198 CA ASP A 78 5.198 5.834 7.154 1.00 0.00 C ATOM 1199 C ASP A 78 5.550 6.186 5.707 1.00 0.00 C ATOM 1200 O ASP A 78 6.018 7.289 5.428 1.00 0.00 O ATOM 1201 CB ASP A 78 6.485 5.403 7.861 1.00 0.00 C ATOM 1202 CG ASP A 78 6.302 4.936 9.307 1.00 0.00 C ATOM 1203 OD1 ASP A 78 6.069 5.816 10.163 1.00 0.00 O ATOM 1204 OD2 ASP A 78 6.399 3.709 9.523 1.00 0.00 O ATOM 0 H ASP A 78 4.469 3.954 7.723 1.00 0.00 H new ATOM 0 HA ASP A 78 4.770 6.691 7.675 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.943 4.596 7.289 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.185 6.238 7.850 1.00 0.00 H new ATOM 1209 N PHE A 79 5.312 5.227 4.824 1.00 0.00 N ATOM 1210 CA PHE A 79 5.597 5.422 3.412 1.00 0.00 C ATOM 1211 C PHE A 79 4.810 6.608 2.852 1.00 0.00 C ATOM 1212 O PHE A 79 5.366 7.449 2.147 1.00 0.00 O ATOM 1213 CB PHE A 79 5.160 4.147 2.688 1.00 0.00 C ATOM 1214 CG PHE A 79 4.846 4.351 1.204 1.00 0.00 C ATOM 1215 CD1 PHE A 79 5.838 4.697 0.340 1.00 0.00 C ATOM 1216 CD2 PHE A 79 3.575 4.187 0.750 1.00 0.00 C ATOM 1217 CE1 PHE A 79 5.546 4.887 -1.036 1.00 0.00 C ATOM 1218 CE2 PHE A 79 3.283 4.377 -0.627 1.00 0.00 C ATOM 1219 CZ PHE A 79 4.275 4.723 -1.491 1.00 0.00 C ATOM 0 H PHE A 79 4.925 4.313 5.059 1.00 0.00 H new ATOM 0 HA PHE A 79 6.658 5.627 3.271 1.00 0.00 H new ATOM 0 HB2 PHE A 79 5.948 3.399 2.783 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.277 3.744 3.184 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.848 4.827 0.701 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.788 3.912 1.436 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.334 5.162 -1.722 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.273 4.247 -0.988 1.00 0.00 H new ATOM 0 HZ PHE A 79 4.053 4.867 -2.538 1.00 0.00 H new ATOM 1229 N LEU A 80 3.529 6.639 3.187 1.00 0.00 N ATOM 1230 CA LEU A 80 2.660 7.708 2.726 1.00 0.00 C ATOM 1231 C LEU A 80 3.229 9.053 3.181 1.00 0.00 C ATOM 1232 O LEU A 80 3.275 10.006 2.404 1.00 0.00 O ATOM 1233 CB LEU A 80 1.221 7.464 3.183 1.00 0.00 C ATOM 1234 CG LEU A 80 0.455 6.372 2.433 1.00 0.00 C ATOM 1235 CD1 LEU A 80 -0.749 5.890 3.244 1.00 0.00 C ATOM 1236 CD2 LEU A 80 0.052 6.847 1.035 1.00 0.00 C ATOM 0 H LEU A 80 3.072 5.940 3.773 1.00 0.00 H new ATOM 0 HA LEU A 80 2.625 7.727 1.637 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.236 7.208 4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.668 8.398 3.089 1.00 0.00 H new ATOM 0 HG LEU A 80 1.118 5.517 2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.275 5.114 2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.407 5.485 4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.423 6.727 3.426 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.491 6.052 0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.586 7.726 1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.946 7.101 0.465 1.00 0.00 H new ATOM 1248 N GLN A 81 3.649 9.088 4.437 1.00 0.00 N ATOM 1249 CA GLN A 81 4.214 10.301 5.004 1.00 0.00 C ATOM 1250 C GLN A 81 5.438 10.743 4.200 1.00 0.00 C ATOM 1251 O GLN A 81 5.716 11.936 4.093 1.00 0.00 O ATOM 1252 CB GLN A 81 4.568 10.103 6.479 1.00 0.00 C ATOM 1253 CG GLN A 81 5.704 11.038 6.900 1.00 0.00 C ATOM 1254 CD GLN A 81 5.292 12.503 6.749 1.00 0.00 C ATOM 1255 OE1 GLN A 81 6.270 13.298 6.323 1.00 0.00 O flip ATOM 1256 NE2 GLN A 81 4.162 12.887 7.002 1.00 0.00 N flip ATOM 0 H GLN A 81 3.609 8.296 5.078 1.00 0.00 H new ATOM 0 HA GLN A 81 3.463 11.089 4.947 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.689 10.291 7.096 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.862 9.067 6.650 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.979 10.839 7.936 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.587 10.840 6.292 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.458 12.223 7.325 1.00 0.00 H new ATOM 0 HE22 GLN A 81 3.921 13.872 6.890 1.00 0.00 H new ATOM 1265 N ASP A 82 6.137 9.757 3.656 1.00 0.00 N ATOM 1266 CA ASP A 82 7.325 10.030 2.866 1.00 0.00 C ATOM 1267 C ASP A 82 6.914 10.328 1.422 1.00 0.00 C ATOM 1268 O ASP A 82 7.256 11.378 0.880 1.00 0.00 O ATOM 1269 CB ASP A 82 8.265 8.823 2.850 1.00 0.00 C ATOM 1270 CG ASP A 82 9.525 8.974 3.704 1.00 0.00 C ATOM 1271 OD1 ASP A 82 9.364 9.273 4.906 1.00 0.00 O ATOM 1272 OD2 ASP A 82 10.622 8.786 3.134 1.00 0.00 O ATOM 0 H ASP A 82 5.903 8.768 3.747 1.00 0.00 H new ATOM 0 HA ASP A 82 7.839 10.881 3.312 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.714 7.948 3.194 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.564 8.627 1.820 1.00 0.00 H new ATOM 1277 N VAL A 83 6.186 9.385 0.841 1.00 0.00 N ATOM 1278 CA VAL A 83 5.725 9.534 -0.529 1.00 0.00 C ATOM 1279 C VAL A 83 4.962 10.853 -0.665 1.00 0.00 C ATOM 1280 O VAL A 83 4.846 11.396 -1.763 1.00 0.00 O ATOM 1281 CB VAL A 83 4.893 8.317 -0.936 1.00 0.00 C ATOM 1282 CG1 VAL A 83 3.403 8.563 -0.684 1.00 0.00 C ATOM 1283 CG2 VAL A 83 5.147 7.942 -2.397 1.00 0.00 C ATOM 0 H VAL A 83 5.904 8.516 1.294 1.00 0.00 H new ATOM 0 HA VAL A 83 6.571 9.576 -1.215 1.00 0.00 H new ATOM 0 HB VAL A 83 5.204 7.476 -0.316 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.833 7.683 -0.982 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.241 8.759 0.376 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.073 9.423 -1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.543 7.074 -2.660 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.877 8.780 -3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.202 7.705 -2.534 1.00 0.00 H new ATOM 1293 N SER A 84 4.462 11.331 0.465 1.00 0.00 N ATOM 1294 CA SER A 84 3.714 12.576 0.485 1.00 0.00 C ATOM 1295 C SER A 84 4.647 13.742 0.818 1.00 0.00 C ATOM 1296 O SER A 84 4.385 14.880 0.432 1.00 0.00 O ATOM 1297 CB SER A 84 2.565 12.511 1.493 1.00 0.00 C ATOM 1298 OG SER A 84 1.712 13.649 1.404 1.00 0.00 O ATOM 0 H SER A 84 4.560 10.878 1.374 1.00 0.00 H new ATOM 0 HA SER A 84 3.285 12.734 -0.505 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.982 11.606 1.320 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.971 12.440 2.502 1.00 0.00 H new ATOM 0 HG SER A 84 0.990 13.569 2.062 1.00 0.00 H new ATOM 1304 N ALA A 85 5.716 13.418 1.530 1.00 0.00 N ATOM 1305 CA ALA A 85 6.689 14.425 1.919 1.00 0.00 C ATOM 1306 C ALA A 85 8.084 13.797 1.942 1.00 0.00 C ATOM 1307 O ALA A 85 8.665 13.605 3.009 1.00 0.00 O ATOM 1308 CB ALA A 85 6.296 15.020 3.272 1.00 0.00 C ATOM 0 H ALA A 85 5.930 12.473 1.848 1.00 0.00 H new ATOM 0 HA ALA A 85 6.706 15.241 1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.026 15.775 3.563 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.310 15.479 3.195 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.271 14.231 4.023 1.00 0.00 H new ATOM 1314 N SER A 86 8.582 13.493 0.752 1.00 0.00 N ATOM 1315 CA SER A 86 9.897 12.891 0.622 1.00 0.00 C ATOM 1316 C SER A 86 10.387 13.010 -0.823 1.00 0.00 C ATOM 1317 O SER A 86 9.694 12.602 -1.753 1.00 0.00 O ATOM 1318 CB SER A 86 9.877 11.424 1.056 1.00 0.00 C ATOM 1319 OG SER A 86 11.188 10.921 1.300 1.00 0.00 O ATOM 0 H SER A 86 8.097 13.653 -0.131 1.00 0.00 H new ATOM 0 HA SER A 86 10.584 13.426 1.277 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.276 11.321 1.959 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.397 10.824 0.283 1.00 0.00 H new ATOM 0 HG SER A 86 11.153 10.246 2.010 1.00 0.00 H new ATOM 1325 N THR A 87 11.579 13.572 -0.966 1.00 0.00 N ATOM 1326 CA THR A 87 12.169 13.751 -2.281 1.00 0.00 C ATOM 1327 C THR A 87 12.997 12.523 -2.665 1.00 0.00 C ATOM 1328 O THR A 87 14.068 12.652 -3.256 1.00 0.00 O ATOM 1329 CB THR A 87 12.979 15.048 -2.264 1.00 0.00 C ATOM 1330 OG1 THR A 87 13.877 14.883 -1.170 1.00 0.00 O ATOM 1331 CG2 THR A 87 12.133 16.261 -1.872 1.00 0.00 C ATOM 0 H THR A 87 12.152 13.909 -0.192 1.00 0.00 H new ATOM 0 HA THR A 87 11.401 13.841 -3.050 1.00 0.00 H new ATOM 0 HB THR A 87 13.418 15.214 -3.248 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.442 15.679 -1.088 1.00 0.00 H new ATOM 0 HG21 THR A 87 12.756 17.155 -1.875 1.00 0.00 H new ATOM 0 HG22 THR A 87 11.319 16.383 -2.587 1.00 0.00 H new ATOM 0 HG23 THR A 87 11.721 16.110 -0.874 1.00 0.00 H new ATOM 1339 N LYS A 88 12.470 11.359 -2.313 1.00 0.00 N ATOM 1340 CA LYS A 88 13.146 10.109 -2.613 1.00 0.00 C ATOM 1341 C LYS A 88 12.355 9.349 -3.679 1.00 0.00 C ATOM 1342 O LYS A 88 11.140 9.509 -3.787 1.00 0.00 O ATOM 1343 CB LYS A 88 13.382 9.306 -1.332 1.00 0.00 C ATOM 1344 CG LYS A 88 14.257 10.087 -0.349 1.00 0.00 C ATOM 1345 CD LYS A 88 15.649 9.461 -0.239 1.00 0.00 C ATOM 1346 CE LYS A 88 15.798 8.683 1.070 1.00 0.00 C ATOM 1347 NZ LYS A 88 17.158 8.862 1.627 1.00 0.00 N ATOM 0 H LYS A 88 11.582 11.256 -1.822 1.00 0.00 H new ATOM 0 HA LYS A 88 14.136 10.301 -3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 88 12.426 9.070 -0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 88 13.860 8.357 -1.576 1.00 0.00 H new ATOM 0 HG2 LYS A 88 14.345 11.123 -0.678 1.00 0.00 H new ATOM 0 HG3 LYS A 88 13.783 10.103 0.632 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.820 8.794 -1.084 1.00 0.00 H new ATOM 0 HD3 LYS A 88 16.408 10.242 -0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 88 15.055 9.026 1.790 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.607 7.624 0.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 17.242 8.328 2.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.861 8.513 0.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 17.327 9.871 1.813 1.00 0.00 H new ATOM 1361 N SER A 89 13.075 8.537 -4.439 1.00 0.00 N ATOM 1362 CA SER A 89 12.456 7.752 -5.493 1.00 0.00 C ATOM 1363 C SER A 89 11.468 6.751 -4.887 1.00 0.00 C ATOM 1364 O SER A 89 11.723 6.189 -3.824 1.00 0.00 O ATOM 1365 CB SER A 89 13.509 7.019 -6.326 1.00 0.00 C ATOM 1366 OG SER A 89 14.580 7.879 -6.708 1.00 0.00 O ATOM 0 H SER A 89 14.082 8.406 -4.346 1.00 0.00 H new ATOM 0 HA SER A 89 11.918 8.431 -6.154 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.904 6.180 -5.754 1.00 0.00 H new ATOM 0 HB3 SER A 89 13.041 6.604 -7.219 1.00 0.00 H new ATOM 0 HG SER A 89 15.232 7.374 -7.237 1.00 0.00 H new ATOM 1372 N LEU A 90 10.362 6.560 -5.592 1.00 0.00 N ATOM 1373 CA LEU A 90 9.336 5.638 -5.137 1.00 0.00 C ATOM 1374 C LEU A 90 9.980 4.292 -4.798 1.00 0.00 C ATOM 1375 O LEU A 90 9.732 3.733 -3.730 1.00 0.00 O ATOM 1376 CB LEU A 90 8.210 5.538 -6.169 1.00 0.00 C ATOM 1377 CG LEU A 90 6.880 6.182 -5.774 1.00 0.00 C ATOM 1378 CD1 LEU A 90 6.615 7.444 -6.597 1.00 0.00 C ATOM 1379 CD2 LEU A 90 5.731 5.177 -5.881 1.00 0.00 C ATOM 0 H LEU A 90 10.155 7.028 -6.474 1.00 0.00 H new ATOM 0 HA LEU A 90 8.869 6.008 -4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.552 5.997 -7.096 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.032 4.484 -6.382 1.00 0.00 H new ATOM 0 HG LEU A 90 6.946 6.487 -4.730 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.663 7.882 -6.296 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.415 8.164 -6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.577 7.187 -7.656 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.797 5.660 -5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.655 4.820 -6.908 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.922 4.334 -5.217 1.00 0.00 H new ATOM 1391 N GLN A 91 10.794 3.811 -5.725 1.00 0.00 N ATOM 1392 CA GLN A 91 11.475 2.541 -5.538 1.00 0.00 C ATOM 1393 C GLN A 91 12.215 2.529 -4.199 1.00 0.00 C ATOM 1394 O GLN A 91 12.220 1.518 -3.498 1.00 0.00 O ATOM 1395 CB GLN A 91 12.433 2.257 -6.696 1.00 0.00 C ATOM 1396 CG GLN A 91 12.268 0.824 -7.205 1.00 0.00 C ATOM 1397 CD GLN A 91 13.257 -0.120 -6.518 1.00 0.00 C ATOM 1398 OE1 GLN A 91 13.504 -0.041 -5.326 1.00 0.00 O ATOM 1399 NE2 GLN A 91 13.807 -1.015 -7.334 1.00 0.00 N ATOM 0 H GLN A 91 10.998 4.278 -6.609 1.00 0.00 H new ATOM 0 HA GLN A 91 10.727 1.748 -5.526 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.245 2.959 -7.508 1.00 0.00 H new ATOM 0 HB3 GLN A 91 13.461 2.415 -6.369 1.00 0.00 H new ATOM 0 HG2 GLN A 91 11.249 0.484 -7.022 1.00 0.00 H new ATOM 0 HG3 GLN A 91 12.424 0.797 -8.283 1.00 0.00 H new ATOM 0 HE21 GLN A 91 13.556 -1.026 -8.322 1.00 0.00 H new ATOM 0 HE22 GLN A 91 14.480 -1.690 -6.971 1.00 0.00 H new ATOM 1408 N GLU A 92 12.822 3.664 -3.883 1.00 0.00 N ATOM 1409 CA GLU A 92 13.563 3.796 -2.641 1.00 0.00 C ATOM 1410 C GLU A 92 12.613 3.710 -1.444 1.00 0.00 C ATOM 1411 O GLU A 92 12.738 2.813 -0.612 1.00 0.00 O ATOM 1412 CB GLU A 92 14.361 5.101 -2.614 1.00 0.00 C ATOM 1413 CG GLU A 92 15.495 5.071 -3.641 1.00 0.00 C ATOM 1414 CD GLU A 92 16.791 4.556 -3.011 1.00 0.00 C ATOM 1415 OE1 GLU A 92 17.425 5.353 -2.286 1.00 0.00 O ATOM 1416 OE2 GLU A 92 17.118 3.378 -3.268 1.00 0.00 O ATOM 0 H GLU A 92 12.815 4.501 -4.466 1.00 0.00 H new ATOM 0 HA GLU A 92 14.274 2.972 -2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.699 5.941 -2.823 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.772 5.259 -1.617 1.00 0.00 H new ATOM 0 HG2 GLU A 92 15.215 4.433 -4.479 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.654 6.072 -4.042 1.00 0.00 H new ATOM 1423 N LEU A 93 11.685 4.654 -1.397 1.00 0.00 N ATOM 1424 CA LEU A 93 10.715 4.696 -0.316 1.00 0.00 C ATOM 1425 C LEU A 93 10.209 3.280 -0.035 1.00 0.00 C ATOM 1426 O LEU A 93 10.139 2.860 1.119 1.00 0.00 O ATOM 1427 CB LEU A 93 9.600 5.694 -0.636 1.00 0.00 C ATOM 1428 CG LEU A 93 10.003 7.170 -0.642 1.00 0.00 C ATOM 1429 CD1 LEU A 93 8.856 8.050 -1.143 1.00 0.00 C ATOM 1430 CD2 LEU A 93 10.500 7.609 0.737 1.00 0.00 C ATOM 0 H LEU A 93 11.584 5.396 -2.090 1.00 0.00 H new ATOM 0 HA LEU A 93 11.182 5.056 0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.187 5.446 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.799 5.559 0.091 1.00 0.00 H new ATOM 0 HG LEU A 93 10.832 7.294 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 93 9.169 9.094 -1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.589 7.757 -2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.991 7.927 -0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.780 8.662 0.705 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.708 7.467 1.472 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.367 7.012 1.018 1.00 0.00 H new ATOM 1442 N PHE A 94 9.871 2.582 -1.109 1.00 0.00 N ATOM 1443 CA PHE A 94 9.374 1.222 -0.993 1.00 0.00 C ATOM 1444 C PHE A 94 10.350 0.348 -0.201 1.00 0.00 C ATOM 1445 O PHE A 94 9.968 -0.274 0.789 1.00 0.00 O ATOM 1446 CB PHE A 94 9.250 0.667 -2.413 1.00 0.00 C ATOM 1447 CG PHE A 94 8.082 1.253 -3.209 1.00 0.00 C ATOM 1448 CD1 PHE A 94 7.301 2.221 -2.659 1.00 0.00 C ATOM 1449 CD2 PHE A 94 7.824 0.806 -4.468 1.00 0.00 C ATOM 1450 CE1 PHE A 94 6.217 2.764 -3.398 1.00 0.00 C ATOM 1451 CE2 PHE A 94 6.740 1.349 -5.207 1.00 0.00 C ATOM 1452 CZ PHE A 94 5.960 2.317 -4.656 1.00 0.00 C ATOM 0 H PHE A 94 9.932 2.933 -2.065 1.00 0.00 H new ATOM 0 HA PHE A 94 8.417 1.219 -0.470 1.00 0.00 H new ATOM 0 HB2 PHE A 94 10.178 0.862 -2.951 1.00 0.00 H new ATOM 0 HB3 PHE A 94 9.134 -0.416 -2.360 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.505 2.577 -1.660 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.444 0.038 -4.905 1.00 0.00 H new ATOM 0 HE1 PHE A 94 5.597 3.532 -2.961 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.535 0.993 -6.206 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.136 2.731 -5.218 1.00 0.00 H new ATOM 1462 N LEU A 95 11.590 0.330 -0.667 1.00 0.00 N ATOM 1463 CA LEU A 95 12.623 -0.457 -0.015 1.00 0.00 C ATOM 1464 C LEU A 95 12.925 0.145 1.359 1.00 0.00 C ATOM 1465 O LEU A 95 13.334 -0.566 2.276 1.00 0.00 O ATOM 1466 CB LEU A 95 13.852 -0.580 -0.917 1.00 0.00 C ATOM 1467 CG LEU A 95 13.885 -1.797 -1.845 1.00 0.00 C ATOM 1468 CD1 LEU A 95 14.564 -1.455 -3.172 1.00 0.00 C ATOM 1469 CD2 LEU A 95 14.542 -2.994 -1.156 1.00 0.00 C ATOM 0 H LEU A 95 11.903 0.848 -1.488 1.00 0.00 H new ATOM 0 HA LEU A 95 12.277 -1.477 0.153 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.921 0.320 -1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.740 -0.605 -0.286 1.00 0.00 H new ATOM 0 HG LEU A 95 12.858 -2.082 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 95 14.574 -2.336 -3.813 1.00 0.00 H new ATOM 0 HD12 LEU A 95 14.015 -0.654 -3.666 1.00 0.00 H new ATOM 0 HD13 LEU A 95 15.588 -1.131 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 95 14.553 -3.845 -1.837 1.00 0.00 H new ATOM 0 HD22 LEU A 95 15.565 -2.738 -0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 95 13.978 -3.253 -0.260 1.00 0.00 H new ATOM 1481 N ALA A 96 12.714 1.449 1.458 1.00 0.00 N ATOM 1482 CA ALA A 96 12.959 2.154 2.704 1.00 0.00 C ATOM 1483 C ALA A 96 11.728 2.032 3.605 1.00 0.00 C ATOM 1484 O ALA A 96 11.706 2.574 4.709 1.00 0.00 O ATOM 1485 CB ALA A 96 13.319 3.611 2.404 1.00 0.00 C ATOM 0 H ALA A 96 12.376 2.036 0.695 1.00 0.00 H new ATOM 0 HA ALA A 96 13.802 1.712 3.235 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.503 4.140 3.339 1.00 0.00 H new ATOM 0 HB2 ALA A 96 14.216 3.644 1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 96 12.495 4.088 1.873 1.00 0.00 H new ATOM 1491 N HIS A 97 10.734 1.317 3.100 1.00 0.00 N ATOM 1492 CA HIS A 97 9.503 1.116 3.845 1.00 0.00 C ATOM 1493 C HIS A 97 8.862 -0.210 3.432 1.00 0.00 C ATOM 1494 O HIS A 97 7.639 -0.318 3.361 1.00 0.00 O ATOM 1495 CB HIS A 97 8.561 2.309 3.670 1.00 0.00 C ATOM 1496 CG HIS A 97 9.068 3.589 4.291 1.00 0.00 C ATOM 1497 ND1 HIS A 97 9.194 3.760 5.658 1.00 0.00 N ATOM 1498 CD2 HIS A 97 9.480 4.756 3.717 1.00 0.00 C ATOM 1499 CE1 HIS A 97 9.661 4.979 5.886 1.00 0.00 C ATOM 1500 NE2 HIS A 97 9.837 5.595 4.682 1.00 0.00 N ATOM 0 H HIS A 97 10.756 0.870 2.184 1.00 0.00 H new ATOM 0 HA HIS A 97 9.726 1.055 4.910 1.00 0.00 H new ATOM 0 HB2 HIS A 97 8.395 2.475 2.605 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.594 2.063 4.109 1.00 0.00 H new ATOM 0 HD1 HIS A 97 8.966 3.066 6.370 1.00 0.00 H new ATOM 0 HD2 HIS A 97 9.511 4.962 2.657 1.00 0.00 H new ATOM 0 HE1 HIS A 97 9.866 5.409 6.855 1.00 0.00 H new ATOM 1508 N ILE A 98 9.718 -1.187 3.170 1.00 0.00 N ATOM 1509 CA ILE A 98 9.251 -2.502 2.765 1.00 0.00 C ATOM 1510 C ILE A 98 9.042 -3.369 4.008 1.00 0.00 C ATOM 1511 O ILE A 98 9.941 -3.497 4.839 1.00 0.00 O ATOM 1512 CB ILE A 98 10.206 -3.118 1.740 1.00 0.00 C ATOM 1513 CG1 ILE A 98 9.680 -4.465 1.241 1.00 0.00 C ATOM 1514 CG2 ILE A 98 11.622 -3.230 2.308 1.00 0.00 C ATOM 1515 CD1 ILE A 98 8.989 -4.315 -0.116 1.00 0.00 C ATOM 0 H ILE A 98 10.732 -1.094 3.230 1.00 0.00 H new ATOM 0 HA ILE A 98 8.287 -2.425 2.263 1.00 0.00 H new ATOM 0 HB ILE A 98 10.257 -2.453 0.878 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.505 -5.173 1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.979 -4.877 1.967 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.280 -3.671 1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 98 11.987 -2.238 2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.609 -3.861 3.196 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.624 -5.287 -0.448 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.150 -3.625 -0.023 1.00 0.00 H new ATOM 0 HD13 ILE A 98 9.700 -3.926 -0.845 1.00 0.00 H new ATOM 1527 N LEU A 99 7.851 -3.943 4.097 1.00 0.00 N ATOM 1528 CA LEU A 99 7.513 -4.794 5.225 1.00 0.00 C ATOM 1529 C LEU A 99 7.555 -6.258 4.784 1.00 0.00 C ATOM 1530 O LEU A 99 7.630 -7.159 5.618 1.00 0.00 O ATOM 1531 CB LEU A 99 6.172 -4.373 5.831 1.00 0.00 C ATOM 1532 CG LEU A 99 6.143 -3.000 6.505 1.00 0.00 C ATOM 1533 CD1 LEU A 99 4.860 -2.817 7.320 1.00 0.00 C ATOM 1534 CD2 LEU A 99 7.397 -2.778 7.353 1.00 0.00 C ATOM 0 H LEU A 99 7.108 -3.835 3.406 1.00 0.00 H new ATOM 0 HA LEU A 99 8.247 -4.679 6.022 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.420 -4.385 5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 99 5.876 -5.123 6.565 1.00 0.00 H new ATOM 0 HG LEU A 99 6.142 -2.237 5.726 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.864 -1.833 7.789 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.995 -2.902 6.662 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.806 -3.586 8.091 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.351 -1.795 7.821 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.454 -3.545 8.126 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.281 -2.836 6.718 1.00 0.00 H new ATOM 1546 N SER A 100 7.506 -6.450 3.474 1.00 0.00 N ATOM 1547 CA SER A 100 7.539 -7.790 2.912 1.00 0.00 C ATOM 1548 C SER A 100 8.825 -7.990 2.109 1.00 0.00 C ATOM 1549 O SER A 100 9.567 -7.038 1.871 1.00 0.00 O ATOM 1550 CB SER A 100 6.316 -8.046 2.030 1.00 0.00 C ATOM 1551 OG SER A 100 6.115 -7.004 1.080 1.00 0.00 O ATOM 0 H SER A 100 7.444 -5.700 2.785 1.00 0.00 H new ATOM 0 HA SER A 100 7.518 -8.506 3.733 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.438 -8.995 1.507 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.430 -8.140 2.658 1.00 0.00 H new ATOM 0 HG SER A 100 6.159 -7.375 0.174 1.00 0.00 H new ATOM 1557 N SER A 101 9.050 -9.234 1.712 1.00 0.00 N ATOM 1558 CA SER A 101 10.234 -9.570 0.940 1.00 0.00 C ATOM 1559 C SER A 101 9.919 -9.504 -0.556 1.00 0.00 C ATOM 1560 O SER A 101 10.802 -9.232 -1.368 1.00 0.00 O ATOM 1561 CB SER A 101 10.757 -10.959 1.311 1.00 0.00 C ATOM 1562 OG SER A 101 12.164 -10.956 1.538 1.00 0.00 O ATOM 0 H SER A 101 8.432 -10.021 1.911 1.00 0.00 H new ATOM 0 HA SER A 101 11.012 -8.844 1.174 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.246 -11.312 2.207 1.00 0.00 H new ATOM 0 HB3 SER A 101 10.520 -11.661 0.512 1.00 0.00 H new ATOM 0 HG SER A 101 12.459 -11.860 1.774 1.00 0.00 H new ATOM 1568 N TRP A 102 8.659 -9.758 -0.875 1.00 0.00 N ATOM 1569 CA TRP A 102 8.217 -9.730 -2.259 1.00 0.00 C ATOM 1570 C TRP A 102 7.951 -8.273 -2.641 1.00 0.00 C ATOM 1571 O TRP A 102 8.311 -7.358 -1.902 1.00 0.00 O ATOM 1572 CB TRP A 102 6.999 -10.634 -2.463 1.00 0.00 C ATOM 1573 CG TRP A 102 5.720 -10.113 -1.804 1.00 0.00 C ATOM 1574 CD1 TRP A 102 4.821 -9.257 -2.309 1.00 0.00 C ATOM 1575 CD2 TRP A 102 5.231 -10.452 -0.490 1.00 0.00 C ATOM 1576 NE1 TRP A 102 3.793 -9.020 -1.420 1.00 0.00 N ATOM 1577 CE2 TRP A 102 4.050 -9.770 -0.278 1.00 0.00 C ATOM 1578 CE3 TRP A 102 5.768 -11.307 0.489 1.00 0.00 C ATOM 1579 CZ2 TRP A 102 3.307 -9.872 0.904 1.00 0.00 C ATOM 1580 CZ3 TRP A 102 5.014 -11.398 1.664 1.00 0.00 C ATOM 1581 CH2 TRP A 102 3.823 -10.718 1.893 1.00 0.00 C ATOM 0 H TRP A 102 7.930 -9.984 -0.199 1.00 0.00 H new ATOM 0 HA TRP A 102 8.988 -10.127 -2.919 1.00 0.00 H new ATOM 0 HB2 TRP A 102 6.822 -10.753 -3.532 1.00 0.00 H new ATOM 0 HB3 TRP A 102 7.223 -11.624 -2.065 1.00 0.00 H new ATOM 0 HD1 TRP A 102 4.892 -8.809 -3.289 1.00 0.00 H new ATOM 0 HE1 TRP A 102 2.992 -8.407 -1.573 1.00 0.00 H new ATOM 0 HE3 TRP A 102 6.690 -11.851 0.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.385 -9.327 1.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.383 -12.042 2.449 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.299 -10.842 2.829 1.00 0.00 H new ATOM 1592 N GLY A 103 7.324 -8.103 -3.796 1.00 0.00 N ATOM 1593 CA GLY A 103 7.006 -6.772 -4.286 1.00 0.00 C ATOM 1594 C GLY A 103 7.963 -6.357 -5.405 1.00 0.00 C ATOM 1595 O GLY A 103 8.773 -5.448 -5.228 1.00 0.00 O ATOM 0 H GLY A 103 7.028 -8.864 -4.407 1.00 0.00 H new ATOM 0 HA2 GLY A 103 5.980 -6.751 -4.654 1.00 0.00 H new ATOM 0 HA3 GLY A 103 7.066 -6.055 -3.467 1.00 0.00 H new ATOM 1599 N ALA A 104 7.838 -7.042 -6.532 1.00 0.00 N ATOM 1600 CA ALA A 104 8.681 -6.755 -7.679 1.00 0.00 C ATOM 1601 C ALA A 104 7.928 -7.112 -8.963 1.00 0.00 C ATOM 1602 O ALA A 104 7.309 -8.171 -9.049 1.00 0.00 O ATOM 1603 CB ALA A 104 10.001 -7.519 -7.547 1.00 0.00 C ATOM 0 H ALA A 104 7.165 -7.795 -6.675 1.00 0.00 H new ATOM 0 HA ALA A 104 8.921 -5.693 -7.722 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.634 -7.304 -8.408 1.00 0.00 H new ATOM 0 HB2 ALA A 104 10.511 -7.209 -6.635 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.799 -8.589 -7.504 1.00 0.00 H new ATOM 1609 N GLU A 105 8.006 -6.207 -9.927 1.00 0.00 N ATOM 1610 CA GLU A 105 7.339 -6.412 -11.202 1.00 0.00 C ATOM 1611 C GLU A 105 5.941 -6.994 -10.981 1.00 0.00 C ATOM 1612 O GLU A 105 5.773 -8.211 -10.927 1.00 0.00 O ATOM 1613 CB GLU A 105 8.170 -7.314 -12.116 1.00 0.00 C ATOM 1614 CG GLU A 105 8.884 -6.494 -13.193 1.00 0.00 C ATOM 1615 CD GLU A 105 9.943 -7.335 -13.909 1.00 0.00 C ATOM 1616 OE1 GLU A 105 10.617 -8.118 -13.206 1.00 0.00 O ATOM 1617 OE2 GLU A 105 10.055 -7.174 -15.144 1.00 0.00 O ATOM 0 H GLU A 105 8.521 -5.330 -9.851 1.00 0.00 H new ATOM 0 HA GLU A 105 7.236 -5.446 -11.696 1.00 0.00 H new ATOM 0 HB2 GLU A 105 8.904 -7.861 -11.524 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.524 -8.055 -12.587 1.00 0.00 H new ATOM 0 HG2 GLU A 105 8.157 -6.125 -13.916 1.00 0.00 H new ATOM 0 HG3 GLU A 105 9.353 -5.621 -12.739 1.00 0.00 H new ATOM 1624 N VAL A 106 4.974 -6.097 -10.861 1.00 0.00 N ATOM 1625 CA VAL A 106 3.596 -6.506 -10.648 1.00 0.00 C ATOM 1626 C VAL A 106 2.904 -6.676 -12.002 1.00 0.00 C ATOM 1627 O VAL A 106 1.676 -6.671 -12.081 1.00 0.00 O ATOM 1628 CB VAL A 106 2.887 -5.502 -9.737 1.00 0.00 C ATOM 1629 CG1 VAL A 106 3.769 -5.127 -8.544 1.00 0.00 C ATOM 1630 CG2 VAL A 106 2.462 -4.257 -10.518 1.00 0.00 C ATOM 0 H VAL A 106 5.117 -5.088 -10.907 1.00 0.00 H new ATOM 0 HA VAL A 106 3.558 -7.469 -10.140 1.00 0.00 H new ATOM 0 HB VAL A 106 1.986 -5.978 -9.351 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.242 -4.412 -7.912 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.999 -6.022 -7.966 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.696 -4.679 -8.903 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.960 -3.560 -9.847 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.342 -3.778 -10.947 1.00 0.00 H new ATOM 0 HG23 VAL A 106 1.780 -4.545 -11.318 1.00 0.00 H new ATOM 1640 N LYS A 107 3.721 -6.823 -13.034 1.00 0.00 N ATOM 1641 CA LYS A 107 3.203 -6.995 -14.381 1.00 0.00 C ATOM 1642 C LYS A 107 2.318 -5.799 -14.738 1.00 0.00 C ATOM 1643 O LYS A 107 1.125 -5.959 -14.991 1.00 0.00 O ATOM 1644 CB LYS A 107 2.497 -8.345 -14.515 1.00 0.00 C ATOM 1645 CG LYS A 107 2.650 -8.906 -15.930 1.00 0.00 C ATOM 1646 CD LYS A 107 2.780 -10.430 -15.905 1.00 0.00 C ATOM 1647 CE LYS A 107 2.229 -11.049 -17.191 1.00 0.00 C ATOM 1648 NZ LYS A 107 0.756 -11.172 -17.117 1.00 0.00 N ATOM 0 H LYS A 107 4.739 -6.827 -12.965 1.00 0.00 H new ATOM 0 HA LYS A 107 4.019 -7.016 -15.104 1.00 0.00 H new ATOM 0 HB2 LYS A 107 2.912 -9.049 -13.794 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.439 -8.231 -14.277 1.00 0.00 H new ATOM 0 HG2 LYS A 107 1.788 -8.621 -16.533 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.529 -8.470 -16.405 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.827 -10.707 -15.784 1.00 0.00 H new ATOM 0 HD3 LYS A 107 2.243 -10.830 -15.045 1.00 0.00 H new ATOM 0 HE2 LYS A 107 2.506 -10.432 -18.046 1.00 0.00 H new ATOM 0 HE3 LYS A 107 2.674 -12.031 -17.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 0.398 -11.594 -17.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 0.498 -11.779 -16.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 0.335 -10.230 -16.989 1.00 0.00 H new ATOM 1662 N SER A 108 2.937 -4.627 -14.747 1.00 0.00 N ATOM 1663 CA SER A 108 2.220 -3.405 -15.070 1.00 0.00 C ATOM 1664 C SER A 108 2.693 -2.861 -16.419 1.00 0.00 C ATOM 1665 O SER A 108 3.893 -2.806 -16.684 1.00 0.00 O ATOM 1666 CB SER A 108 2.409 -2.351 -13.977 1.00 0.00 C ATOM 1667 OG SER A 108 1.246 -1.546 -13.805 1.00 0.00 O ATOM 0 H SER A 108 3.927 -4.498 -14.536 1.00 0.00 H new ATOM 0 HA SER A 108 1.157 -3.639 -15.133 1.00 0.00 H new ATOM 0 HB2 SER A 108 2.651 -2.844 -13.036 1.00 0.00 H new ATOM 0 HB3 SER A 108 3.257 -1.714 -14.230 1.00 0.00 H new ATOM 0 HG SER A 108 1.406 -0.887 -13.098 1.00 0.00 H new ATOM 1673 N GLY A 109 1.725 -2.474 -17.237 1.00 0.00 N ATOM 1674 CA GLY A 109 2.028 -1.936 -18.552 1.00 0.00 C ATOM 1675 C GLY A 109 0.812 -1.223 -19.146 1.00 0.00 C ATOM 1676 O GLY A 109 0.672 -0.009 -19.010 1.00 0.00 O ATOM 0 H GLY A 109 0.731 -2.522 -17.014 1.00 0.00 H new ATOM 0 HA2 GLY A 109 2.863 -1.239 -18.480 1.00 0.00 H new ATOM 0 HA3 GLY A 109 2.341 -2.742 -19.215 1.00 0.00 H new ATOM 1680 N PRO A 110 -0.060 -2.029 -19.810 1.00 0.00 N ATOM 1681 CA PRO A 110 -1.260 -1.488 -20.425 1.00 0.00 C ATOM 1682 C PRO A 110 -2.316 -1.157 -19.369 1.00 0.00 C ATOM 1683 O PRO A 110 -2.330 -1.751 -18.292 1.00 0.00 O ATOM 1684 CB PRO A 110 -1.715 -2.556 -21.406 1.00 0.00 C ATOM 1685 CG PRO A 110 -1.027 -3.841 -20.972 1.00 0.00 C ATOM 1686 CD PRO A 110 0.073 -3.472 -19.991 1.00 0.00 C ATOM 0 HA PRO A 110 -1.080 -0.544 -20.940 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -2.799 -2.668 -21.387 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -1.440 -2.291 -22.427 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -1.743 -4.519 -20.506 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.611 -4.361 -21.835 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -0.045 -4.002 -19.046 1.00 0.00 H new ATOM 0 HD3 PRO A 110 1.056 -3.733 -20.382 1.00 0.00 H new ATOM 1694 N SER A 111 -3.175 -0.209 -19.714 1.00 0.00 N ATOM 1695 CA SER A 111 -4.233 0.208 -18.809 1.00 0.00 C ATOM 1696 C SER A 111 -5.258 1.060 -19.560 1.00 0.00 C ATOM 1697 O SER A 111 -6.429 0.694 -19.650 1.00 0.00 O ATOM 1698 CB SER A 111 -3.665 0.985 -17.620 1.00 0.00 C ATOM 1699 OG SER A 111 -2.787 2.029 -18.034 1.00 0.00 O ATOM 0 H SER A 111 -3.160 0.282 -20.608 1.00 0.00 H new ATOM 0 HA SER A 111 -4.726 -0.685 -18.423 1.00 0.00 H new ATOM 0 HB2 SER A 111 -4.484 1.409 -17.040 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.129 0.300 -16.962 1.00 0.00 H new ATOM 0 HG SER A 111 -2.447 2.502 -17.246 1.00 0.00 H new ATOM 1705 N SER A 112 -4.781 2.182 -20.080 1.00 0.00 N ATOM 1706 CA SER A 112 -5.641 3.089 -20.820 1.00 0.00 C ATOM 1707 C SER A 112 -6.340 2.339 -21.955 1.00 0.00 C ATOM 1708 O SER A 112 -7.567 2.325 -22.032 1.00 0.00 O ATOM 1709 CB SER A 112 -4.846 4.272 -21.375 1.00 0.00 C ATOM 1710 OG SER A 112 -4.683 5.307 -20.410 1.00 0.00 O ATOM 0 H SER A 112 -3.810 2.483 -20.003 1.00 0.00 H new ATOM 0 HA SER A 112 -6.393 3.481 -20.136 1.00 0.00 H new ATOM 0 HB2 SER A 112 -3.866 3.927 -21.705 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.355 4.671 -22.252 1.00 0.00 H new ATOM 0 HG SER A 112 -4.169 6.043 -20.803 1.00 0.00 H new ATOM 1716 N GLY A 113 -5.527 1.733 -22.809 1.00 0.00 N ATOM 1717 CA GLY A 113 -6.052 0.982 -23.937 1.00 0.00 C ATOM 1718 C GLY A 113 -5.729 1.681 -25.259 1.00 0.00 C ATOM 1719 O GLY A 113 -5.189 2.786 -25.265 1.00 0.00 O ATOM 0 H GLY A 113 -4.509 1.747 -22.742 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -5.628 -0.022 -23.939 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -7.132 0.872 -23.834 1.00 0.00 H new TER 1723 GLY A 113