USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 935 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 101 SER OG : rot -95:sc= 1.18 USER MOD Set 1.2: A 103 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 80 THR OG1 : rot -130:sc= 0 USER MOD Set 2.2: A 86 SER OG : rot -103:sc= 1.2 USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= 0.257 USER MOD Set 3.2: A 47 THR OG1 : rot -80:sc= 0.265 USER MOD Set 4.1: A 17 THR OG1 : rot 32:sc= 0.509 USER MOD Set 4.2: A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASN : amide:sc= -10.6! C(o=-11!,f=-4.3!) USER MOD Single : A 1 ASN N :NH3+ 136:sc= 0.0639 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 27 THR OG1 : rot 170:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 50:sc= 0.286! USER MOD Single : A 40 SER OG : rot 90:sc= -1.91! USER MOD Single : A 41 HIS : no HD1:sc= 0.373 K(o=0.37,f=-1.9!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -25:sc= 0.649 USER MOD Single : A 44 GLN : amide:sc= -2.38 K(o=-2.4,f=-1.6) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -11.8! C(o=-12!,f=-10!) USER MOD Single : A 50 SER OG : rot -57:sc= 0.302 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 88:sc= 1.12 USER MOD Single : A 63 LYS NZ :NH3+ -135:sc= -0.549 (180deg=-3.29!) USER MOD Single : A 67 HIS : no HD1:sc= 0.448 K(o=0.45,f=-4!) USER MOD Single : A 73 ASN : amide:sc= -4.66! C(o=-4.7!,f=-2.1!) USER MOD Single : A 75 GLN : amide:sc= -0.869 K(o=-0.87,f=0) USER MOD Single : A 79 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00616) USER MOD Single : A 83 SER OG : rot 29:sc= 0.193 USER MOD Single : A 87 GLN : amide:sc= -9.08! C(o=-9.1!,f=-8.8!) USER MOD Single : A 91 SER OG : rot -11:sc= 0.843 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -100:sc= 1.64 USER MOD Single : A 109 GLN : amide:sc= -0.711 X(o=-0.71,f=-0.85) USER MOD Single : A 116 SER OG : rot -100:sc= 1.13 USER MOD Single : A 117 HIS : no HD1:sc= -0.609 K(o=-0.61,f=0.14) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASN A 1 33.038 -1.097 -2.279 1.00 0.00 N ATOM 21 CA ASN A 1 31.738 -0.436 -2.242 1.00 0.00 C ATOM 22 C ASN A 1 30.734 -1.140 -3.146 1.00 0.00 C ATOM 23 O ASN A 1 31.112 -1.876 -4.059 1.00 0.00 O ATOM 24 CB ASN A 1 31.871 1.027 -2.658 1.00 0.00 C ATOM 25 CG ASN A 1 32.022 1.946 -1.465 1.00 0.00 C ATOM 26 OD1 ASN A 1 33.133 2.294 -1.065 1.00 0.00 O ATOM 27 ND2 ASN A 1 30.895 2.334 -0.883 1.00 0.00 N ATOM 0 H1 ASN A 1 33.789 -0.382 -2.351 1.00 0.00 H new ATOM 0 H2 ASN A 1 33.170 -1.652 -1.409 1.00 0.00 H new ATOM 0 H3 ASN A 1 33.082 -1.730 -3.103 1.00 0.00 H new ATOM 0 HA ASN A 1 31.371 -0.485 -1.217 1.00 0.00 H new ATOM 0 HB2 ASN A 1 32.734 1.140 -3.314 1.00 0.00 H new ATOM 0 HB3 ASN A 1 30.993 1.321 -3.233 1.00 0.00 H new ATOM 0 HD21 ASN A 1 30.927 2.947 -0.068 1.00 0.00 H new ATOM 0 HD22 ASN A 1 29.997 2.020 -1.250 1.00 0.00 H new ATOM 34 N CYS A 2 29.449 -0.909 -2.886 1.00 0.00 N ATOM 35 CA CYS A 2 28.390 -1.527 -3.674 1.00 0.00 C ATOM 36 C CYS A 2 27.992 -0.667 -4.869 1.00 0.00 C ATOM 37 O CYS A 2 27.189 -1.091 -5.700 1.00 0.00 O ATOM 38 CB CYS A 2 27.169 -1.798 -2.796 1.00 0.00 C ATOM 39 SG CYS A 2 27.394 -3.179 -1.634 1.00 0.00 S ATOM 0 H CYS A 2 29.119 -0.300 -2.138 1.00 0.00 H new ATOM 0 HA CYS A 2 28.778 -2.470 -4.060 1.00 0.00 H new ATOM 0 HB2 CYS A 2 26.931 -0.896 -2.232 1.00 0.00 H new ATOM 0 HB3 CYS A 2 26.312 -2.009 -3.436 1.00 0.00 H new ATOM 44 N GLY A 3 28.550 0.536 -4.962 1.00 0.00 N ATOM 45 CA GLY A 3 28.224 1.426 -6.059 1.00 0.00 C ATOM 46 C GLY A 3 27.006 2.280 -5.754 1.00 0.00 C ATOM 47 O GLY A 3 26.172 1.891 -4.937 1.00 0.00 O ATOM 0 H GLY A 3 29.224 0.910 -4.294 1.00 0.00 H new ATOM 0 HA2 GLY A 3 29.077 2.072 -6.268 1.00 0.00 H new ATOM 0 HA3 GLY A 3 28.040 0.840 -6.959 1.00 0.00 H new ATOM 51 N PRO A 4 26.879 3.459 -6.391 1.00 0.00 N ATOM 52 CA PRO A 4 25.743 4.359 -6.170 1.00 0.00 C ATOM 53 C PRO A 4 24.407 3.616 -6.150 1.00 0.00 C ATOM 54 O PRO A 4 24.099 2.853 -7.067 1.00 0.00 O ATOM 55 CB PRO A 4 25.821 5.307 -7.364 1.00 0.00 C ATOM 56 CG PRO A 4 27.277 5.380 -7.674 1.00 0.00 C ATOM 57 CD PRO A 4 27.835 4.013 -7.373 1.00 0.00 C ATOM 0 HA PRO A 4 25.793 4.862 -5.204 1.00 0.00 H new ATOM 0 HB2 PRO A 4 25.251 4.928 -8.212 1.00 0.00 H new ATOM 0 HB3 PRO A 4 25.415 6.289 -7.121 1.00 0.00 H new ATOM 0 HG2 PRO A 4 27.441 5.647 -8.718 1.00 0.00 H new ATOM 0 HG3 PRO A 4 27.767 6.143 -7.069 1.00 0.00 H new ATOM 0 HD2 PRO A 4 27.892 3.396 -8.270 1.00 0.00 H new ATOM 0 HD3 PRO A 4 28.843 4.072 -6.963 1.00 0.00 H new ATOM 65 N PRO A 5 23.596 3.834 -5.098 1.00 0.00 N ATOM 66 CA PRO A 5 22.294 3.173 -4.949 1.00 0.00 C ATOM 67 C PRO A 5 21.395 3.341 -6.171 1.00 0.00 C ATOM 68 O PRO A 5 21.425 4.374 -6.841 1.00 0.00 O ATOM 69 CB PRO A 5 21.676 3.869 -3.733 1.00 0.00 C ATOM 70 CG PRO A 5 22.841 4.370 -2.954 1.00 0.00 C ATOM 71 CD PRO A 5 23.883 4.739 -3.970 1.00 0.00 C ATOM 0 HA PRO A 5 22.406 2.095 -4.834 1.00 0.00 H new ATOM 0 HB2 PRO A 5 21.020 4.686 -4.035 1.00 0.00 H new ATOM 0 HB3 PRO A 5 21.073 3.177 -3.144 1.00 0.00 H new ATOM 0 HG2 PRO A 5 22.564 5.232 -2.347 1.00 0.00 H new ATOM 0 HG3 PRO A 5 23.213 3.606 -2.272 1.00 0.00 H new ATOM 0 HD2 PRO A 5 23.804 5.786 -4.264 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.891 4.592 -3.583 1.00 0.00 H new ATOM 79 N PRO A 6 20.584 2.313 -6.470 1.00 0.00 N ATOM 80 CA PRO A 6 19.659 2.313 -7.598 1.00 0.00 C ATOM 81 C PRO A 6 18.327 2.944 -7.224 1.00 0.00 C ATOM 82 O PRO A 6 18.120 3.426 -6.110 1.00 0.00 O ATOM 83 CB PRO A 6 19.457 0.816 -7.895 1.00 0.00 C ATOM 84 CG PRO A 6 20.185 0.065 -6.818 1.00 0.00 C ATOM 85 CD PRO A 6 20.498 1.055 -5.732 1.00 0.00 C ATOM 0 HA PRO A 6 20.041 2.884 -8.444 1.00 0.00 H new ATOM 0 HB2 PRO A 6 18.397 0.561 -7.897 1.00 0.00 H new ATOM 0 HB3 PRO A 6 19.849 0.560 -8.879 1.00 0.00 H new ATOM 0 HG2 PRO A 6 19.572 -0.750 -6.433 1.00 0.00 H new ATOM 0 HG3 PRO A 6 21.099 -0.382 -7.209 1.00 0.00 H new ATOM 0 HD2 PRO A 6 19.718 1.083 -4.971 1.00 0.00 H new ATOM 0 HD3 PRO A 6 21.432 0.818 -5.223 1.00 0.00 H new ATOM 93 N THR A 7 17.432 2.918 -8.208 1.00 0.00 N ATOM 94 CA THR A 7 16.093 3.456 -8.059 1.00 0.00 C ATOM 95 C THR A 7 15.127 2.325 -7.727 1.00 0.00 C ATOM 96 O THR A 7 15.131 1.284 -8.385 1.00 0.00 O ATOM 97 CB THR A 7 15.633 4.176 -9.341 1.00 0.00 C ATOM 98 OG1 THR A 7 14.360 4.796 -9.129 1.00 0.00 O ATOM 99 CG2 THR A 7 15.543 3.208 -10.512 1.00 0.00 C ATOM 0 H THR A 7 17.620 2.522 -9.129 1.00 0.00 H new ATOM 0 HA THR A 7 16.104 4.185 -7.249 1.00 0.00 H new ATOM 0 HB THR A 7 16.373 4.939 -9.581 1.00 0.00 H new ATOM 0 HG1 THR A 7 14.078 5.252 -9.949 1.00 0.00 H new ATOM 0 HG21 THR A 7 15.216 3.744 -11.403 1.00 0.00 H new ATOM 0 HG22 THR A 7 16.522 2.765 -10.694 1.00 0.00 H new ATOM 0 HG23 THR A 7 14.826 2.421 -10.279 1.00 0.00 H new ATOM 107 N LEU A 8 14.310 2.518 -6.703 1.00 0.00 N ATOM 108 CA LEU A 8 13.357 1.495 -6.306 1.00 0.00 C ATOM 109 C LEU A 8 11.918 1.972 -6.464 1.00 0.00 C ATOM 110 O LEU A 8 11.655 3.045 -7.006 1.00 0.00 O ATOM 111 CB LEU A 8 13.619 1.080 -4.859 1.00 0.00 C ATOM 112 CG LEU A 8 15.058 0.651 -4.569 1.00 0.00 C ATOM 113 CD1 LEU A 8 15.942 1.863 -4.319 1.00 0.00 C ATOM 114 CD2 LEU A 8 15.103 -0.297 -3.380 1.00 0.00 C ATOM 0 H LEU A 8 14.288 3.366 -6.137 1.00 0.00 H new ATOM 0 HA LEU A 8 13.492 0.636 -6.963 1.00 0.00 H new ATOM 0 HB2 LEU A 8 13.363 1.913 -4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.950 0.258 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 8 15.440 0.125 -5.444 1.00 0.00 H new ATOM 0 HD11 LEU A 8 16.961 1.534 -4.115 1.00 0.00 H new ATOM 0 HD12 LEU A 8 15.937 2.505 -5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 8 15.562 2.420 -3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 8 16.135 -0.592 -3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.699 0.204 -2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 8 14.507 -1.183 -3.599 1.00 0.00 H new ATOM 126 N SER A 9 10.995 1.151 -5.978 1.00 0.00 N ATOM 127 CA SER A 9 9.576 1.470 -6.051 1.00 0.00 C ATOM 128 C SER A 9 8.904 1.264 -4.702 1.00 0.00 C ATOM 129 O SER A 9 8.099 2.089 -4.268 1.00 0.00 O ATOM 130 CB SER A 9 8.891 0.606 -7.112 1.00 0.00 C ATOM 131 OG SER A 9 9.445 0.838 -8.397 1.00 0.00 O ATOM 0 H SER A 9 11.205 0.259 -5.529 1.00 0.00 H new ATOM 0 HA SER A 9 9.479 2.519 -6.329 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.997 -0.447 -6.852 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.823 0.824 -7.129 1.00 0.00 H new ATOM 0 HG SER A 9 8.991 0.272 -9.056 1.00 0.00 H new ATOM 137 N PHE A 10 9.240 0.162 -4.039 1.00 0.00 N ATOM 138 CA PHE A 10 8.661 -0.140 -2.738 1.00 0.00 C ATOM 139 C PHE A 10 9.087 0.901 -1.711 1.00 0.00 C ATOM 140 O PHE A 10 8.492 1.005 -0.641 1.00 0.00 O ATOM 141 CB PHE A 10 9.065 -1.538 -2.263 1.00 0.00 C ATOM 142 CG PHE A 10 9.146 -2.557 -3.364 1.00 0.00 C ATOM 143 CD1 PHE A 10 8.038 -3.311 -3.711 1.00 0.00 C ATOM 144 CD2 PHE A 10 10.333 -2.763 -4.049 1.00 0.00 C ATOM 145 CE1 PHE A 10 8.111 -4.252 -4.720 1.00 0.00 C ATOM 146 CE2 PHE A 10 10.413 -3.701 -5.059 1.00 0.00 C ATOM 147 CZ PHE A 10 9.301 -4.447 -5.396 1.00 0.00 C ATOM 0 H PHE A 10 9.906 -0.532 -4.380 1.00 0.00 H new ATOM 0 HA PHE A 10 7.576 -0.114 -2.843 1.00 0.00 H new ATOM 0 HB2 PHE A 10 10.034 -1.476 -1.767 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.346 -1.879 -1.518 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.106 -3.162 -3.187 1.00 0.00 H new ATOM 0 HD2 PHE A 10 11.206 -2.183 -3.790 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.240 -4.834 -4.980 1.00 0.00 H new ATOM 0 HE2 PHE A 10 11.344 -3.851 -5.585 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.361 -5.181 -6.186 1.00 0.00 H new ATOM 157 N ALA A 11 10.128 1.662 -2.040 1.00 0.00 N ATOM 158 CA ALA A 11 10.621 2.695 -1.138 1.00 0.00 C ATOM 159 C ALA A 11 11.278 3.853 -1.886 1.00 0.00 C ATOM 160 O ALA A 11 11.727 3.721 -3.024 1.00 0.00 O ATOM 161 CB ALA A 11 11.611 2.088 -0.160 1.00 0.00 C ATOM 0 H ALA A 11 10.642 1.583 -2.918 1.00 0.00 H new ATOM 0 HA ALA A 11 9.762 3.099 -0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.978 2.862 0.514 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.118 1.307 0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 11 12.448 1.658 -0.710 1.00 0.00 H new ATOM 167 N ALA A 12 11.314 4.992 -1.197 1.00 0.00 N ATOM 168 CA ALA A 12 11.955 6.190 -1.730 1.00 0.00 C ATOM 169 C ALA A 12 12.819 6.863 -0.663 1.00 0.00 C ATOM 170 O ALA A 12 12.521 6.773 0.526 1.00 0.00 O ATOM 171 CB ALA A 12 10.910 7.159 -2.260 1.00 0.00 C ATOM 0 H ALA A 12 10.907 5.109 -0.269 1.00 0.00 H new ATOM 0 HA ALA A 12 12.603 5.894 -2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.404 8.047 -2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.339 6.679 -3.055 1.00 0.00 H new ATOM 0 HB3 ALA A 12 10.237 7.446 -1.452 1.00 0.00 H new ATOM 177 N PRO A 13 13.900 7.551 -1.077 1.00 0.00 N ATOM 178 CA PRO A 13 14.809 8.232 -0.147 1.00 0.00 C ATOM 179 C PRO A 13 14.068 9.022 0.929 1.00 0.00 C ATOM 180 O PRO A 13 13.008 9.596 0.675 1.00 0.00 O ATOM 181 CB PRO A 13 15.594 9.172 -1.061 1.00 0.00 C ATOM 182 CG PRO A 13 15.621 8.475 -2.377 1.00 0.00 C ATOM 183 CD PRO A 13 14.318 7.724 -2.482 1.00 0.00 C ATOM 0 HA PRO A 13 15.431 7.529 0.407 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.111 10.146 -1.138 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.601 9.344 -0.682 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.726 9.189 -3.194 1.00 0.00 H new ATOM 0 HG3 PRO A 13 16.469 7.793 -2.439 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.578 8.284 -3.054 1.00 0.00 H new ATOM 0 HD3 PRO A 13 14.448 6.764 -2.982 1.00 0.00 H new ATOM 191 N MET A 14 14.636 9.047 2.135 1.00 0.00 N ATOM 192 CA MET A 14 14.024 9.768 3.246 1.00 0.00 C ATOM 193 C MET A 14 15.073 10.229 4.252 1.00 0.00 C ATOM 194 O MET A 14 14.890 11.233 4.941 1.00 0.00 O ATOM 195 CB MET A 14 12.985 8.886 3.942 1.00 0.00 C ATOM 196 CG MET A 14 12.331 9.545 5.144 1.00 0.00 C ATOM 197 SD MET A 14 11.511 11.097 4.728 1.00 0.00 S ATOM 198 CE MET A 14 10.895 11.593 6.334 1.00 0.00 C ATOM 0 H MET A 14 15.513 8.579 2.364 1.00 0.00 H new ATOM 0 HA MET A 14 13.531 10.651 2.840 1.00 0.00 H new ATOM 0 HB2 MET A 14 12.212 8.614 3.223 1.00 0.00 H new ATOM 0 HB3 MET A 14 13.463 7.960 4.262 1.00 0.00 H new ATOM 0 HG2 MET A 14 11.603 8.859 5.578 1.00 0.00 H new ATOM 0 HG3 MET A 14 13.087 9.732 5.907 1.00 0.00 H new ATOM 0 HE1 MET A 14 10.362 12.539 6.243 1.00 0.00 H new ATOM 0 HE2 MET A 14 10.217 10.830 6.715 1.00 0.00 H new ATOM 0 HE3 MET A 14 11.731 11.712 7.023 1.00 0.00 H new ATOM 208 N ASP A 15 16.172 9.493 4.328 1.00 0.00 N ATOM 209 CA ASP A 15 17.251 9.825 5.252 1.00 0.00 C ATOM 210 C ASP A 15 18.606 9.475 4.646 1.00 0.00 C ATOM 211 O ASP A 15 19.417 8.785 5.262 1.00 0.00 O ATOM 212 CB ASP A 15 17.058 9.085 6.576 1.00 0.00 C ATOM 213 CG ASP A 15 17.958 9.616 7.674 1.00 0.00 C ATOM 214 OD1 ASP A 15 17.567 10.601 8.336 1.00 0.00 O ATOM 215 OD2 ASP A 15 19.052 9.048 7.872 1.00 0.00 O ATOM 0 H ASP A 15 16.342 8.662 3.762 1.00 0.00 H new ATOM 0 HA ASP A 15 17.225 10.898 5.440 1.00 0.00 H new ATOM 0 HB2 ASP A 15 16.018 9.173 6.889 1.00 0.00 H new ATOM 0 HB3 ASP A 15 17.258 8.024 6.428 1.00 0.00 H new ATOM 220 N ILE A 16 18.841 9.960 3.434 1.00 0.00 N ATOM 221 CA ILE A 16 20.084 9.704 2.734 1.00 0.00 C ATOM 222 C ILE A 16 20.349 10.768 1.683 1.00 0.00 C ATOM 223 O ILE A 16 19.910 10.647 0.541 1.00 0.00 O ATOM 224 CB ILE A 16 20.069 8.322 2.057 1.00 0.00 C ATOM 225 CG1 ILE A 16 21.278 8.156 1.129 1.00 0.00 C ATOM 226 CG2 ILE A 16 18.768 8.113 1.295 1.00 0.00 C ATOM 227 CD1 ILE A 16 21.399 6.771 0.528 1.00 0.00 C ATOM 0 H ILE A 16 18.179 10.537 2.915 1.00 0.00 H new ATOM 0 HA ILE A 16 20.879 9.728 3.479 1.00 0.00 H new ATOM 0 HB ILE A 16 20.135 7.561 2.834 1.00 0.00 H new ATOM 0 HG12 ILE A 16 21.210 8.887 0.324 1.00 0.00 H new ATOM 0 HG13 ILE A 16 22.187 8.381 1.687 1.00 0.00 H new ATOM 0 HG21 ILE A 16 18.776 7.130 0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 16 17.927 8.177 1.986 1.00 0.00 H new ATOM 0 HG23 ILE A 16 18.667 8.882 0.529 1.00 0.00 H new ATOM 0 HD11 ILE A 16 22.277 6.730 -0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 16 21.500 6.036 1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 16 20.507 6.550 -0.059 1.00 0.00 H new ATOM 239 N THR A 17 21.037 11.828 2.076 1.00 0.00 N ATOM 240 CA THR A 17 21.372 12.879 1.133 1.00 0.00 C ATOM 241 C THR A 17 22.067 12.267 -0.069 1.00 0.00 C ATOM 242 O THR A 17 23.161 11.714 0.054 1.00 0.00 O ATOM 243 CB THR A 17 22.288 13.946 1.754 1.00 0.00 C ATOM 244 OG1 THR A 17 23.450 13.329 2.320 1.00 0.00 O ATOM 245 CG2 THR A 17 21.554 14.740 2.826 1.00 0.00 C ATOM 0 H THR A 17 21.370 11.981 3.028 1.00 0.00 H new ATOM 0 HA THR A 17 20.444 13.368 0.838 1.00 0.00 H new ATOM 0 HB THR A 17 22.591 14.632 0.963 1.00 0.00 H new ATOM 0 HG1 THR A 17 23.688 12.537 1.795 1.00 0.00 H new ATOM 0 HG21 THR A 17 22.225 15.488 3.249 1.00 0.00 H new ATOM 0 HG22 THR A 17 20.690 15.236 2.384 1.00 0.00 H new ATOM 0 HG23 THR A 17 21.220 14.065 3.614 1.00 0.00 H new ATOM 253 N LEU A 18 21.432 12.353 -1.228 1.00 0.00 N ATOM 254 CA LEU A 18 21.988 11.782 -2.437 1.00 0.00 C ATOM 255 C LEU A 18 23.132 12.634 -2.976 1.00 0.00 C ATOM 256 O LEU A 18 23.368 12.687 -4.184 1.00 0.00 O ATOM 257 CB LEU A 18 20.897 11.634 -3.496 1.00 0.00 C ATOM 258 CG LEU A 18 20.162 10.291 -3.491 1.00 0.00 C ATOM 259 CD1 LEU A 18 21.151 9.141 -3.595 1.00 0.00 C ATOM 260 CD2 LEU A 18 19.318 10.152 -2.237 1.00 0.00 C ATOM 0 H LEU A 18 20.531 12.814 -1.353 1.00 0.00 H new ATOM 0 HA LEU A 18 22.388 10.798 -2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 18 20.166 12.431 -3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 18 21.345 11.782 -4.479 1.00 0.00 H new ATOM 0 HG LEU A 18 19.502 10.257 -4.358 1.00 0.00 H new ATOM 0 HD11 LEU A 18 20.610 8.195 -3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 18 21.717 9.231 -4.522 1.00 0.00 H new ATOM 0 HD13 LEU A 18 21.836 9.172 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 18 18.803 9.192 -2.250 1.00 0.00 H new ATOM 0 HD22 LEU A 18 19.960 10.207 -1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 18 18.584 10.957 -2.201 1.00 0.00 H new ATOM 272 N THR A 19 23.843 13.288 -2.070 1.00 0.00 N ATOM 273 CA THR A 19 24.964 14.138 -2.439 1.00 0.00 C ATOM 274 C THR A 19 26.263 13.342 -2.457 1.00 0.00 C ATOM 275 O THR A 19 27.255 13.761 -3.051 1.00 0.00 O ATOM 276 CB THR A 19 25.107 15.321 -1.463 1.00 0.00 C ATOM 277 OG1 THR A 19 25.526 14.850 -0.176 1.00 0.00 O ATOM 278 CG2 THR A 19 23.785 16.061 -1.329 1.00 0.00 C ATOM 0 H THR A 19 23.661 13.245 -1.067 1.00 0.00 H new ATOM 0 HA THR A 19 24.765 14.525 -3.438 1.00 0.00 H new ATOM 0 HB THR A 19 25.858 16.005 -1.858 1.00 0.00 H new ATOM 0 HG1 THR A 19 25.616 15.609 0.437 1.00 0.00 H new ATOM 0 HG21 THR A 19 23.903 16.894 -0.636 1.00 0.00 H new ATOM 0 HG22 THR A 19 23.480 16.441 -2.304 1.00 0.00 H new ATOM 0 HG23 THR A 19 23.023 15.379 -0.951 1.00 0.00 H new ATOM 286 N GLU A 20 26.243 12.186 -1.799 1.00 0.00 N ATOM 287 CA GLU A 20 27.411 11.318 -1.738 1.00 0.00 C ATOM 288 C GLU A 20 27.572 10.543 -3.042 1.00 0.00 C ATOM 289 O GLU A 20 26.926 10.854 -4.042 1.00 0.00 O ATOM 290 CB GLU A 20 27.291 10.347 -0.562 1.00 0.00 C ATOM 291 CG GLU A 20 27.342 11.027 0.796 1.00 0.00 C ATOM 292 CD GLU A 20 28.653 11.751 1.040 1.00 0.00 C ATOM 293 OE1 GLU A 20 29.593 11.117 1.564 1.00 0.00 O ATOM 294 OE2 GLU A 20 28.739 12.952 0.707 1.00 0.00 O ATOM 0 H GLU A 20 25.428 11.830 -1.300 1.00 0.00 H new ATOM 0 HA GLU A 20 28.294 11.941 -1.592 1.00 0.00 H new ATOM 0 HB2 GLU A 20 26.353 9.798 -0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 20 28.096 9.615 -0.623 1.00 0.00 H new ATOM 0 HG2 GLU A 20 26.519 11.738 0.873 1.00 0.00 H new ATOM 0 HG3 GLU A 20 27.193 10.281 1.577 1.00 0.00 H new ATOM 301 N THR A 21 28.436 9.534 -3.024 1.00 0.00 N ATOM 302 CA THR A 21 28.681 8.724 -4.210 1.00 0.00 C ATOM 303 C THR A 21 28.797 7.242 -3.873 1.00 0.00 C ATOM 304 O THR A 21 28.258 6.393 -4.583 1.00 0.00 O ATOM 305 CB THR A 21 29.967 9.164 -4.929 1.00 0.00 C ATOM 306 OG1 THR A 21 31.004 9.412 -3.972 1.00 0.00 O ATOM 307 CG2 THR A 21 29.725 10.413 -5.763 1.00 0.00 C ATOM 0 H THR A 21 28.976 9.259 -2.204 1.00 0.00 H new ATOM 0 HA THR A 21 27.822 8.874 -4.865 1.00 0.00 H new ATOM 0 HB THR A 21 30.276 8.359 -5.596 1.00 0.00 H new ATOM 0 HG1 THR A 21 31.820 9.690 -4.438 1.00 0.00 H new ATOM 0 HG21 THR A 21 30.650 10.703 -6.261 1.00 0.00 H new ATOM 0 HG22 THR A 21 28.959 10.208 -6.511 1.00 0.00 H new ATOM 0 HG23 THR A 21 29.392 11.224 -5.115 1.00 0.00 H new ATOM 315 N ARG A 22 29.502 6.937 -2.791 1.00 0.00 N ATOM 316 CA ARG A 22 29.697 5.552 -2.374 1.00 0.00 C ATOM 317 C ARG A 22 29.155 5.322 -0.968 1.00 0.00 C ATOM 318 O ARG A 22 28.966 6.267 -0.203 1.00 0.00 O ATOM 319 CB ARG A 22 31.175 5.190 -2.422 1.00 0.00 C ATOM 320 CG ARG A 22 31.775 5.256 -3.818 1.00 0.00 C ATOM 321 CD ARG A 22 33.233 4.822 -3.822 1.00 0.00 C ATOM 322 NE ARG A 22 34.062 5.683 -2.983 1.00 0.00 N ATOM 323 CZ ARG A 22 35.361 5.483 -2.779 1.00 0.00 C ATOM 324 NH1 ARG A 22 35.974 4.449 -3.340 1.00 0.00 N ATOM 325 NH2 ARG A 22 36.049 6.316 -2.011 1.00 0.00 N ATOM 0 H ARG A 22 29.948 7.627 -2.187 1.00 0.00 H new ATOM 0 HA ARG A 22 29.147 4.913 -3.065 1.00 0.00 H new ATOM 0 HB2 ARG A 22 31.727 5.864 -1.767 1.00 0.00 H new ATOM 0 HB3 ARG A 22 31.306 4.183 -2.027 1.00 0.00 H new ATOM 0 HG2 ARG A 22 31.203 4.617 -4.491 1.00 0.00 H new ATOM 0 HG3 ARG A 22 31.697 6.274 -4.201 1.00 0.00 H new ATOM 0 HD2 ARG A 22 33.306 3.793 -3.469 1.00 0.00 H new ATOM 0 HD3 ARG A 22 33.613 4.837 -4.844 1.00 0.00 H new ATOM 0 HE ARG A 22 33.620 6.482 -2.528 1.00 0.00 H new ATOM 0 HH11 ARG A 22 35.449 3.804 -3.930 1.00 0.00 H new ATOM 0 HH12 ARG A 22 36.970 4.299 -3.181 1.00 0.00 H new ATOM 0 HH21 ARG A 22 35.582 7.112 -1.576 1.00 0.00 H new ATOM 0 HH22 ARG A 22 37.045 6.161 -1.855 1.00 0.00 H new ATOM 339 N PHE A 23 28.907 4.057 -0.633 1.00 0.00 N ATOM 340 CA PHE A 23 28.377 3.670 0.672 1.00 0.00 C ATOM 341 C PHE A 23 28.966 2.327 1.089 1.00 0.00 C ATOM 342 O PHE A 23 28.439 1.274 0.731 1.00 0.00 O ATOM 343 CB PHE A 23 26.846 3.573 0.621 1.00 0.00 C ATOM 344 CG PHE A 23 26.178 4.833 0.144 1.00 0.00 C ATOM 345 CD1 PHE A 23 26.240 5.197 -1.189 1.00 0.00 C ATOM 346 CD2 PHE A 23 25.501 5.657 1.029 1.00 0.00 C ATOM 347 CE1 PHE A 23 25.644 6.355 -1.636 1.00 0.00 C ATOM 348 CE2 PHE A 23 24.899 6.821 0.587 1.00 0.00 C ATOM 349 CZ PHE A 23 24.972 7.172 -0.747 1.00 0.00 C ATOM 0 H PHE A 23 29.069 3.270 -1.261 1.00 0.00 H new ATOM 0 HA PHE A 23 28.655 4.430 1.403 1.00 0.00 H new ATOM 0 HB2 PHE A 23 26.564 2.751 -0.037 1.00 0.00 H new ATOM 0 HB3 PHE A 23 26.473 3.328 1.615 1.00 0.00 H new ATOM 0 HD1 PHE A 23 26.764 4.564 -1.890 1.00 0.00 H new ATOM 0 HD2 PHE A 23 25.443 5.388 2.073 1.00 0.00 H new ATOM 0 HE1 PHE A 23 25.702 6.624 -2.680 1.00 0.00 H new ATOM 0 HE2 PHE A 23 24.372 7.455 1.284 1.00 0.00 H new ATOM 0 HZ PHE A 23 24.505 8.082 -1.094 1.00 0.00 H new ATOM 359 N LYS A 24 30.081 2.377 1.819 1.00 0.00 N ATOM 360 CA LYS A 24 30.756 1.169 2.298 1.00 0.00 C ATOM 361 C LYS A 24 29.763 0.123 2.767 1.00 0.00 C ATOM 362 O LYS A 24 28.599 0.423 3.028 1.00 0.00 O ATOM 363 CB LYS A 24 31.693 1.508 3.456 1.00 0.00 C ATOM 364 CG LYS A 24 31.135 2.560 4.403 1.00 0.00 C ATOM 365 CD LYS A 24 32.113 2.882 5.522 1.00 0.00 C ATOM 366 CE LYS A 24 31.522 3.882 6.504 1.00 0.00 C ATOM 367 NZ LYS A 24 32.498 4.269 7.560 1.00 0.00 N ATOM 0 H LYS A 24 30.538 3.247 2.093 1.00 0.00 H new ATOM 0 HA LYS A 24 31.325 0.765 1.460 1.00 0.00 H new ATOM 0 HB2 LYS A 24 31.904 0.599 4.020 1.00 0.00 H new ATOM 0 HB3 LYS A 24 32.642 1.861 3.053 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.908 3.468 3.845 1.00 0.00 H new ATOM 0 HG3 LYS A 24 30.197 2.205 4.830 1.00 0.00 H new ATOM 0 HD2 LYS A 24 32.380 1.966 6.049 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.033 3.285 5.099 1.00 0.00 H new ATOM 0 HE2 LYS A 24 31.199 4.772 5.965 1.00 0.00 H new ATOM 0 HE3 LYS A 24 30.635 3.452 6.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 32.056 4.951 8.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.787 3.423 8.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 33.334 4.703 7.118 1.00 0.00 H new ATOM 381 N THR A 25 30.236 -1.110 2.896 1.00 0.00 N ATOM 382 CA THR A 25 29.392 -2.182 3.374 1.00 0.00 C ATOM 383 C THR A 25 28.903 -1.829 4.770 1.00 0.00 C ATOM 384 O THR A 25 29.405 -0.887 5.383 1.00 0.00 O ATOM 385 CB THR A 25 30.136 -3.528 3.416 1.00 0.00 C ATOM 386 OG1 THR A 25 31.479 -3.334 3.876 1.00 0.00 O ATOM 387 CG2 THR A 25 30.150 -4.203 2.046 1.00 0.00 C ATOM 0 H THR A 25 31.193 -1.385 2.677 1.00 0.00 H new ATOM 0 HA THR A 25 28.555 -2.293 2.684 1.00 0.00 H new ATOM 0 HB THR A 25 29.604 -4.181 4.109 1.00 0.00 H new ATOM 0 HG1 THR A 25 31.944 -4.196 3.901 1.00 0.00 H new ATOM 0 HG21 THR A 25 30.684 -5.151 2.113 1.00 0.00 H new ATOM 0 HG22 THR A 25 29.126 -4.385 1.720 1.00 0.00 H new ATOM 0 HG23 THR A 25 30.650 -3.555 1.326 1.00 0.00 H new ATOM 395 N GLY A 26 27.938 -2.572 5.283 1.00 0.00 N ATOM 396 CA GLY A 26 27.424 -2.281 6.604 1.00 0.00 C ATOM 397 C GLY A 26 26.533 -1.051 6.618 1.00 0.00 C ATOM 398 O GLY A 26 25.707 -0.893 7.517 1.00 0.00 O ATOM 0 H GLY A 26 27.503 -3.366 4.813 1.00 0.00 H new ATOM 0 HA2 GLY A 26 26.860 -3.139 6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 26 28.257 -2.131 7.291 1.00 0.00 H new ATOM 402 N THR A 27 26.696 -0.173 5.622 1.00 0.00 N ATOM 403 CA THR A 27 25.896 1.043 5.523 1.00 0.00 C ATOM 404 C THR A 27 24.416 0.682 5.465 1.00 0.00 C ATOM 405 O THR A 27 24.067 -0.410 5.025 1.00 0.00 O ATOM 406 CB THR A 27 26.282 1.856 4.268 1.00 0.00 C ATOM 407 OG1 THR A 27 25.948 3.235 4.457 1.00 0.00 O ATOM 408 CG2 THR A 27 25.575 1.330 3.026 1.00 0.00 C ATOM 0 H THR A 27 27.379 -0.287 4.873 1.00 0.00 H new ATOM 0 HA THR A 27 26.090 1.655 6.404 1.00 0.00 H new ATOM 0 HB THR A 27 27.357 1.752 4.122 1.00 0.00 H new ATOM 0 HG1 THR A 27 26.338 3.768 3.733 1.00 0.00 H new ATOM 0 HG21 THR A 27 25.869 1.924 2.161 1.00 0.00 H new ATOM 0 HG22 THR A 27 25.853 0.289 2.862 1.00 0.00 H new ATOM 0 HG23 THR A 27 24.496 1.400 3.165 1.00 0.00 H new ATOM 416 N THR A 28 23.543 1.580 5.905 1.00 0.00 N ATOM 417 CA THR A 28 22.114 1.285 5.885 1.00 0.00 C ATOM 418 C THR A 28 21.266 2.532 5.656 1.00 0.00 C ATOM 419 O THR A 28 21.351 3.506 6.405 1.00 0.00 O ATOM 420 CB THR A 28 21.676 0.596 7.190 1.00 0.00 C ATOM 421 OG1 THR A 28 22.306 -0.685 7.301 1.00 0.00 O ATOM 422 CG2 THR A 28 20.166 0.428 7.245 1.00 0.00 C ATOM 0 H THR A 28 23.790 2.499 6.272 1.00 0.00 H new ATOM 0 HA THR A 28 21.950 0.610 5.045 1.00 0.00 H new ATOM 0 HB THR A 28 21.981 1.229 8.023 1.00 0.00 H new ATOM 0 HG1 THR A 28 22.024 -1.117 8.134 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.888 -0.062 8.178 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.689 1.407 7.192 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.837 -0.182 6.404 1.00 0.00 H new ATOM 430 N LEU A 29 20.447 2.487 4.608 1.00 0.00 N ATOM 431 CA LEU A 29 19.589 3.612 4.256 1.00 0.00 C ATOM 432 C LEU A 29 18.266 3.557 5.019 1.00 0.00 C ATOM 433 O LEU A 29 18.057 2.682 5.859 1.00 0.00 O ATOM 434 CB LEU A 29 19.304 3.622 2.749 1.00 0.00 C ATOM 435 CG LEU A 29 20.423 3.073 1.857 1.00 0.00 C ATOM 436 CD1 LEU A 29 20.133 3.368 0.393 1.00 0.00 C ATOM 437 CD2 LEU A 29 21.766 3.652 2.259 1.00 0.00 C ATOM 0 H LEU A 29 20.360 1.682 3.988 1.00 0.00 H new ATOM 0 HA LEU A 29 20.117 4.525 4.532 1.00 0.00 H new ATOM 0 HB2 LEU A 29 18.400 3.041 2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 29 19.092 4.647 2.445 1.00 0.00 H new ATOM 0 HG LEU A 29 20.464 1.992 1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 29 20.938 2.971 -0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 29 19.191 2.899 0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 29 20.061 4.446 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 29 22.545 3.248 1.612 1.00 0.00 H new ATOM 0 HD22 LEU A 29 21.739 4.737 2.160 1.00 0.00 H new ATOM 0 HD23 LEU A 29 21.981 3.388 3.294 1.00 0.00 H new ATOM 449 N LYS A 30 17.381 4.502 4.716 1.00 0.00 N ATOM 450 CA LYS A 30 16.067 4.563 5.349 1.00 0.00 C ATOM 451 C LYS A 30 14.996 4.127 4.358 1.00 0.00 C ATOM 452 O LYS A 30 14.503 3.004 4.420 1.00 0.00 O ATOM 453 CB LYS A 30 15.771 5.982 5.841 1.00 0.00 C ATOM 454 CG LYS A 30 14.539 6.078 6.728 1.00 0.00 C ATOM 455 CD LYS A 30 14.741 5.355 8.050 1.00 0.00 C ATOM 456 CE LYS A 30 13.507 5.457 8.932 1.00 0.00 C ATOM 457 NZ LYS A 30 13.711 4.806 10.254 1.00 0.00 N ATOM 0 H LYS A 30 17.551 5.240 4.032 1.00 0.00 H new ATOM 0 HA LYS A 30 16.063 3.890 6.206 1.00 0.00 H new ATOM 0 HB2 LYS A 30 16.635 6.353 6.393 1.00 0.00 H new ATOM 0 HB3 LYS A 30 15.639 6.636 4.979 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.308 7.126 6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.681 5.652 6.207 1.00 0.00 H new ATOM 0 HD2 LYS A 30 14.970 4.306 7.862 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.599 5.780 8.571 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.253 6.507 9.080 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.660 4.993 8.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.846 4.899 10.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.928 3.798 10.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.502 5.265 10.749 1.00 0.00 H new ATOM 471 N TYR A 31 14.644 5.029 3.447 1.00 0.00 N ATOM 472 CA TYR A 31 13.652 4.740 2.418 1.00 0.00 C ATOM 473 C TYR A 31 12.256 4.495 3.002 1.00 0.00 C ATOM 474 O TYR A 31 12.092 3.775 3.987 1.00 0.00 O ATOM 475 CB TYR A 31 14.111 3.538 1.588 1.00 0.00 C ATOM 476 CG TYR A 31 14.961 3.915 0.396 1.00 0.00 C ATOM 477 CD1 TYR A 31 16.308 4.214 0.548 1.00 0.00 C ATOM 478 CD2 TYR A 31 14.417 3.974 -0.880 1.00 0.00 C ATOM 479 CE1 TYR A 31 17.089 4.562 -0.537 1.00 0.00 C ATOM 480 CE2 TYR A 31 15.191 4.321 -1.971 1.00 0.00 C ATOM 481 CZ TYR A 31 16.526 4.614 -1.794 1.00 0.00 C ATOM 482 OH TYR A 31 17.302 4.958 -2.878 1.00 0.00 O ATOM 0 H TYR A 31 15.033 5.971 3.401 1.00 0.00 H new ATOM 0 HA TYR A 31 13.570 5.618 1.778 1.00 0.00 H new ATOM 0 HB2 TYR A 31 14.677 2.860 2.227 1.00 0.00 H new ATOM 0 HB3 TYR A 31 13.235 2.991 1.240 1.00 0.00 H new ATOM 0 HD1 TYR A 31 16.753 4.174 1.531 1.00 0.00 H new ATOM 0 HD2 TYR A 31 13.371 3.745 -1.022 1.00 0.00 H new ATOM 0 HE1 TYR A 31 18.135 4.792 -0.401 1.00 0.00 H new ATOM 0 HE2 TYR A 31 14.752 4.362 -2.957 1.00 0.00 H new ATOM 0 HH TYR A 31 16.753 4.946 -3.690 1.00 0.00 H new ATOM 492 N THR A 32 11.256 5.113 2.372 1.00 0.00 N ATOM 493 CA THR A 32 9.865 4.975 2.807 1.00 0.00 C ATOM 494 C THR A 32 8.995 4.365 1.707 1.00 0.00 C ATOM 495 O THR A 32 9.180 4.651 0.526 1.00 0.00 O ATOM 496 CB THR A 32 9.275 6.334 3.231 1.00 0.00 C ATOM 497 OG1 THR A 32 7.847 6.306 3.122 1.00 0.00 O ATOM 498 CG2 THR A 32 9.839 7.460 2.378 1.00 0.00 C ATOM 0 H THR A 32 11.383 5.715 1.558 1.00 0.00 H new ATOM 0 HA THR A 32 9.867 4.305 3.667 1.00 0.00 H new ATOM 0 HB THR A 32 9.552 6.517 4.269 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.481 7.173 3.395 1.00 0.00 H new ATOM 0 HG21 THR A 32 9.407 8.409 2.696 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.922 7.497 2.494 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.592 7.282 1.331 1.00 0.00 H new ATOM 506 N CYS A 33 8.030 3.540 2.110 1.00 0.00 N ATOM 507 CA CYS A 33 7.148 2.860 1.161 1.00 0.00 C ATOM 508 C CYS A 33 5.929 3.708 0.779 1.00 0.00 C ATOM 509 O CYS A 33 5.163 4.171 1.624 1.00 0.00 O ATOM 510 CB CYS A 33 6.683 1.525 1.755 1.00 0.00 C ATOM 511 SG CYS A 33 8.033 0.514 2.455 1.00 0.00 S ATOM 0 H CYS A 33 7.838 3.326 3.089 1.00 0.00 H new ATOM 0 HA CYS A 33 7.722 2.690 0.250 1.00 0.00 H new ATOM 0 HB2 CYS A 33 5.948 1.723 2.536 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.177 0.950 0.979 1.00 0.00 H new ATOM 516 N LEU A 34 5.797 3.889 -0.539 1.00 0.00 N ATOM 517 CA LEU A 34 4.732 4.687 -1.142 1.00 0.00 C ATOM 518 C LEU A 34 3.352 4.290 -0.622 1.00 0.00 C ATOM 519 O LEU A 34 3.198 3.256 0.025 1.00 0.00 O ATOM 520 CB LEU A 34 4.779 4.538 -2.666 1.00 0.00 C ATOM 521 CG LEU A 34 6.126 4.880 -3.309 1.00 0.00 C ATOM 522 CD1 LEU A 34 6.094 4.581 -4.800 1.00 0.00 C ATOM 523 CD2 LEU A 34 6.481 6.340 -3.063 1.00 0.00 C ATOM 0 H LEU A 34 6.435 3.480 -1.222 1.00 0.00 H new ATOM 0 HA LEU A 34 4.898 5.728 -0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.521 3.511 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.012 5.178 -3.102 1.00 0.00 H new ATOM 0 HG LEU A 34 6.895 4.259 -2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.059 4.830 -5.242 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.886 3.522 -4.954 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.314 5.177 -5.274 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.441 6.564 -3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.711 6.979 -3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.545 6.523 -1.990 1.00 0.00 H new ATOM 535 N PRO A 35 2.328 5.125 -0.884 1.00 0.00 N ATOM 536 CA PRO A 35 0.958 4.854 -0.451 1.00 0.00 C ATOM 537 C PRO A 35 0.305 3.736 -1.259 1.00 0.00 C ATOM 538 O PRO A 35 -0.037 3.917 -2.426 1.00 0.00 O ATOM 539 CB PRO A 35 0.220 6.182 -0.691 1.00 0.00 C ATOM 540 CG PRO A 35 1.283 7.184 -1.005 1.00 0.00 C ATOM 541 CD PRO A 35 2.421 6.407 -1.594 1.00 0.00 C ATOM 0 HA PRO A 35 0.927 4.520 0.586 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -0.489 6.093 -1.514 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -0.349 6.478 0.190 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.918 7.934 -1.707 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.597 7.715 -0.106 1.00 0.00 H new ATOM 0 HD2 PRO A 35 2.314 6.283 -2.672 1.00 0.00 H new ATOM 0 HD3 PRO A 35 3.379 6.897 -1.423 1.00 0.00 H new ATOM 549 N GLY A 36 0.137 2.583 -0.622 1.00 0.00 N ATOM 550 CA GLY A 36 -0.490 1.460 -1.300 1.00 0.00 C ATOM 551 C GLY A 36 0.051 0.119 -0.846 1.00 0.00 C ATOM 552 O GLY A 36 -0.502 -0.928 -1.183 1.00 0.00 O ATOM 0 H GLY A 36 0.420 2.405 0.342 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.565 1.490 -1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -0.340 1.561 -2.375 1.00 0.00 H new ATOM 556 N TYR A 37 1.132 0.153 -0.080 1.00 0.00 N ATOM 557 CA TYR A 37 1.731 -1.062 0.452 1.00 0.00 C ATOM 558 C TYR A 37 1.084 -1.375 1.791 1.00 0.00 C ATOM 559 O TYR A 37 0.708 -0.458 2.522 1.00 0.00 O ATOM 560 CB TYR A 37 3.243 -0.890 0.631 1.00 0.00 C ATOM 561 CG TYR A 37 3.982 -0.524 -0.639 1.00 0.00 C ATOM 562 CD1 TYR A 37 3.871 0.747 -1.189 1.00 0.00 C ATOM 563 CD2 TYR A 37 4.802 -1.445 -1.284 1.00 0.00 C ATOM 564 CE1 TYR A 37 4.550 1.089 -2.340 1.00 0.00 C ATOM 565 CE2 TYR A 37 5.480 -1.110 -2.439 1.00 0.00 C ATOM 566 CZ TYR A 37 5.349 0.158 -2.963 1.00 0.00 C ATOM 567 OH TYR A 37 6.024 0.496 -4.112 1.00 0.00 O ATOM 0 H TYR A 37 1.613 1.012 0.187 1.00 0.00 H new ATOM 0 HA TYR A 37 1.566 -1.882 -0.247 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.423 -0.117 1.378 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.658 -1.817 1.025 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.242 1.480 -0.707 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.910 -2.438 -0.874 1.00 0.00 H new ATOM 0 HE1 TYR A 37 4.455 2.083 -2.750 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.110 -1.838 -2.929 1.00 0.00 H new ATOM 0 HH TYR A 37 6.505 1.338 -3.973 1.00 0.00 H new ATOM 577 N VAL A 38 0.943 -2.651 2.129 1.00 0.00 N ATOM 578 CA VAL A 38 0.330 -3.079 3.373 1.00 0.00 C ATOM 579 C VAL A 38 1.186 -4.171 4.009 1.00 0.00 C ATOM 580 O VAL A 38 2.406 -4.197 3.847 1.00 0.00 O ATOM 581 CB VAL A 38 -1.098 -3.608 3.122 1.00 0.00 C ATOM 582 CG1 VAL A 38 -1.925 -2.584 2.358 1.00 0.00 C ATOM 583 CG2 VAL A 38 -1.056 -4.921 2.372 1.00 0.00 C ATOM 0 H VAL A 38 1.255 -3.422 1.539 1.00 0.00 H new ATOM 0 HA VAL A 38 0.265 -2.225 4.048 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.572 -3.779 4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.928 -2.977 2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.988 -1.662 2.937 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.452 -2.378 1.398 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.072 -5.277 2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.560 -4.776 1.412 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.505 -5.657 2.958 1.00 0.00 H new ATOM 593 N ARG A 39 0.517 -5.060 4.738 1.00 0.00 N ATOM 594 CA ARG A 39 1.163 -6.174 5.429 1.00 0.00 C ATOM 595 C ARG A 39 2.375 -6.715 4.680 1.00 0.00 C ATOM 596 O ARG A 39 2.239 -7.482 3.729 1.00 0.00 O ATOM 597 CB ARG A 39 0.160 -7.300 5.668 1.00 0.00 C ATOM 598 CG ARG A 39 -0.997 -6.905 6.571 1.00 0.00 C ATOM 599 CD ARG A 39 -0.511 -6.483 7.949 1.00 0.00 C ATOM 600 NE ARG A 39 -1.614 -6.095 8.825 1.00 0.00 N ATOM 601 CZ ARG A 39 -1.449 -5.448 9.975 1.00 0.00 C ATOM 602 NH1 ARG A 39 -0.231 -5.118 10.386 1.00 0.00 N ATOM 603 NH2 ARG A 39 -2.502 -5.132 10.716 1.00 0.00 N ATOM 0 H ARG A 39 -0.494 -5.028 4.867 1.00 0.00 H new ATOM 0 HA ARG A 39 1.521 -5.784 6.382 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.236 -7.632 4.708 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.680 -8.150 6.109 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.553 -6.087 6.114 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -1.686 -7.744 6.668 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.042 -7.304 8.405 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.183 -5.648 7.849 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.563 -6.334 8.539 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.582 -5.361 9.819 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.108 -4.622 11.269 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.440 -5.385 10.404 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.375 -4.636 11.598 1.00 0.00 H new ATOM 617 N SER A 40 3.560 -6.319 5.142 1.00 0.00 N ATOM 618 CA SER A 40 4.823 -6.754 4.548 1.00 0.00 C ATOM 619 C SER A 40 5.987 -5.991 5.161 1.00 0.00 C ATOM 620 O SER A 40 7.106 -6.497 5.233 1.00 0.00 O ATOM 621 CB SER A 40 4.823 -6.540 3.037 1.00 0.00 C ATOM 622 OG SER A 40 6.067 -6.910 2.471 1.00 0.00 O ATOM 0 H SER A 40 3.672 -5.689 5.937 1.00 0.00 H new ATOM 0 HA SER A 40 4.935 -7.819 4.753 1.00 0.00 H new ATOM 0 HB2 SER A 40 4.024 -7.127 2.583 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.615 -5.493 2.815 1.00 0.00 H new ATOM 0 HG SER A 40 6.043 -7.857 2.219 1.00 0.00 H new ATOM 628 N HIS A 41 5.711 -4.769 5.601 1.00 0.00 N ATOM 629 CA HIS A 41 6.737 -3.929 6.204 1.00 0.00 C ATOM 630 C HIS A 41 7.315 -4.582 7.448 1.00 0.00 C ATOM 631 O HIS A 41 6.587 -4.952 8.368 1.00 0.00 O ATOM 632 CB HIS A 41 6.174 -2.553 6.551 1.00 0.00 C ATOM 633 CG HIS A 41 4.805 -2.600 7.154 1.00 0.00 C ATOM 634 ND1 HIS A 41 3.653 -2.682 6.399 1.00 0.00 N ATOM 635 CD2 HIS A 41 4.405 -2.580 8.447 1.00 0.00 C ATOM 636 CE1 HIS A 41 2.604 -2.709 7.203 1.00 0.00 C ATOM 637 NE2 HIS A 41 3.034 -2.650 8.450 1.00 0.00 N ATOM 0 H HIS A 41 4.787 -4.339 5.551 1.00 0.00 H new ATOM 0 HA HIS A 41 7.537 -3.808 5.474 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.851 -2.057 7.247 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.143 -1.944 5.648 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.045 -2.520 9.315 1.00 0.00 H new ATOM 0 HE1 HIS A 41 1.571 -2.769 6.893 1.00 0.00 H new ATOM 0 HE2 HIS A 41 2.443 -2.656 9.281 1.00 0.00 H new ATOM 646 N SER A 42 8.632 -4.716 7.464 1.00 0.00 N ATOM 647 CA SER A 42 9.326 -5.325 8.584 1.00 0.00 C ATOM 648 C SER A 42 10.801 -4.957 8.550 1.00 0.00 C ATOM 649 O SER A 42 11.514 -5.100 9.544 1.00 0.00 O ATOM 650 CB SER A 42 9.163 -6.844 8.539 1.00 0.00 C ATOM 651 OG SER A 42 9.480 -7.433 9.788 1.00 0.00 O ATOM 0 H SER A 42 9.244 -4.408 6.708 1.00 0.00 H new ATOM 0 HA SER A 42 8.892 -4.951 9.511 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.138 -7.094 8.266 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.809 -7.258 7.765 1.00 0.00 H new ATOM 0 HG SER A 42 9.365 -8.405 9.730 1.00 0.00 H new ATOM 657 N THR A 43 11.244 -4.464 7.397 1.00 0.00 N ATOM 658 CA THR A 43 12.638 -4.077 7.209 1.00 0.00 C ATOM 659 C THR A 43 12.815 -3.266 5.931 1.00 0.00 C ATOM 660 O THR A 43 13.000 -3.829 4.853 1.00 0.00 O ATOM 661 CB THR A 43 13.567 -5.302 7.132 1.00 0.00 C ATOM 662 OG1 THR A 43 13.334 -6.180 8.240 1.00 0.00 O ATOM 663 CG2 THR A 43 15.027 -4.874 7.122 1.00 0.00 C ATOM 0 H THR A 43 10.655 -4.323 6.576 1.00 0.00 H new ATOM 0 HA THR A 43 12.907 -3.474 8.076 1.00 0.00 H new ATOM 0 HB THR A 43 13.347 -5.830 6.204 1.00 0.00 H new ATOM 0 HG1 THR A 43 12.964 -5.669 8.990 1.00 0.00 H new ATOM 0 HG21 THR A 43 15.664 -5.756 7.067 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.214 -4.237 6.257 1.00 0.00 H new ATOM 0 HG23 THR A 43 15.250 -4.321 8.034 1.00 0.00 H new ATOM 671 N GLN A 44 12.763 -1.947 6.057 1.00 0.00 N ATOM 672 CA GLN A 44 12.928 -1.065 4.913 1.00 0.00 C ATOM 673 C GLN A 44 14.296 -0.403 4.974 1.00 0.00 C ATOM 674 O GLN A 44 14.415 0.748 5.389 1.00 0.00 O ATOM 675 CB GLN A 44 11.829 0.001 4.901 1.00 0.00 C ATOM 676 CG GLN A 44 10.428 -0.566 5.069 1.00 0.00 C ATOM 677 CD GLN A 44 9.391 0.506 5.348 1.00 0.00 C ATOM 678 OE1 GLN A 44 8.394 0.258 6.024 1.00 0.00 O ATOM 679 NE2 GLN A 44 9.620 1.706 4.826 1.00 0.00 N ATOM 0 H GLN A 44 12.607 -1.465 6.942 1.00 0.00 H new ATOM 0 HA GLN A 44 12.852 -1.652 3.997 1.00 0.00 H new ATOM 0 HB2 GLN A 44 12.020 0.717 5.700 1.00 0.00 H new ATOM 0 HB3 GLN A 44 11.879 0.551 3.962 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.149 -1.109 4.166 1.00 0.00 H new ATOM 0 HG3 GLN A 44 10.428 -1.287 5.886 1.00 0.00 H new ATOM 0 HE21 GLN A 44 10.460 1.869 4.271 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.956 2.464 4.980 1.00 0.00 H new ATOM 688 N THR A 45 15.330 -1.137 4.572 1.00 0.00 N ATOM 689 CA THR A 45 16.688 -0.613 4.618 1.00 0.00 C ATOM 690 C THR A 45 17.571 -1.217 3.531 1.00 0.00 C ATOM 691 O THR A 45 17.408 -2.377 3.152 1.00 0.00 O ATOM 692 CB THR A 45 17.347 -0.894 5.983 1.00 0.00 C ATOM 693 OG1 THR A 45 17.510 -2.305 6.166 1.00 0.00 O ATOM 694 CG2 THR A 45 16.514 -0.328 7.123 1.00 0.00 C ATOM 0 H THR A 45 15.253 -2.089 4.214 1.00 0.00 H new ATOM 0 HA THR A 45 16.603 0.462 4.456 1.00 0.00 H new ATOM 0 HB THR A 45 18.322 -0.406 5.992 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.931 -2.476 7.034 1.00 0.00 H new ATOM 0 HG21 THR A 45 17.004 -0.542 8.073 1.00 0.00 H new ATOM 0 HG22 THR A 45 16.415 0.751 7.001 1.00 0.00 H new ATOM 0 HG23 THR A 45 15.525 -0.787 7.114 1.00 0.00 H new ATOM 702 N LEU A 46 18.510 -0.414 3.036 1.00 0.00 N ATOM 703 CA LEU A 46 19.448 -0.858 2.009 1.00 0.00 C ATOM 704 C LEU A 46 20.855 -0.908 2.594 1.00 0.00 C ATOM 705 O LEU A 46 21.406 0.117 2.998 1.00 0.00 O ATOM 706 CB LEU A 46 19.405 0.064 0.788 1.00 0.00 C ATOM 707 CG LEU A 46 18.365 -0.314 -0.272 1.00 0.00 C ATOM 708 CD1 LEU A 46 18.376 0.687 -1.416 1.00 0.00 C ATOM 709 CD2 LEU A 46 18.626 -1.716 -0.795 1.00 0.00 C ATOM 0 H LEU A 46 18.641 0.553 3.332 1.00 0.00 H new ATOM 0 HA LEU A 46 19.160 -1.856 1.678 1.00 0.00 H new ATOM 0 HB2 LEU A 46 19.204 1.081 1.126 1.00 0.00 H new ATOM 0 HB3 LEU A 46 20.390 0.072 0.322 1.00 0.00 H new ATOM 0 HG LEU A 46 17.380 -0.294 0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 46 17.630 0.400 -2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.143 1.680 -1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 46 19.363 0.699 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.878 -1.969 -1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 46 19.619 -1.759 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.568 -2.428 0.028 1.00 0.00 H new ATOM 721 N THR A 47 21.431 -2.106 2.636 1.00 0.00 N ATOM 722 CA THR A 47 22.771 -2.290 3.178 1.00 0.00 C ATOM 723 C THR A 47 23.724 -2.804 2.112 1.00 0.00 C ATOM 724 O THR A 47 23.333 -3.600 1.258 1.00 0.00 O ATOM 725 CB THR A 47 22.772 -3.295 4.347 1.00 0.00 C ATOM 726 OG1 THR A 47 21.752 -2.952 5.293 1.00 0.00 O ATOM 727 CG2 THR A 47 24.123 -3.320 5.044 1.00 0.00 C ATOM 0 H THR A 47 20.990 -2.963 2.301 1.00 0.00 H new ATOM 0 HA THR A 47 23.101 -1.314 3.534 1.00 0.00 H new ATOM 0 HB THR A 47 22.573 -4.286 3.939 1.00 0.00 H new ATOM 0 HG1 THR A 47 22.068 -2.220 5.864 1.00 0.00 H new ATOM 0 HG21 THR A 47 24.096 -4.037 5.864 1.00 0.00 H new ATOM 0 HG22 THR A 47 24.895 -3.612 4.332 1.00 0.00 H new ATOM 0 HG23 THR A 47 24.348 -2.328 5.436 1.00 0.00 H new ATOM 735 N CYS A 48 24.971 -2.349 2.156 1.00 0.00 N ATOM 736 CA CYS A 48 25.955 -2.811 1.197 1.00 0.00 C ATOM 737 C CYS A 48 26.463 -4.166 1.660 1.00 0.00 C ATOM 738 O CYS A 48 27.057 -4.292 2.731 1.00 0.00 O ATOM 739 CB CYS A 48 27.099 -1.808 1.052 1.00 0.00 C ATOM 740 SG CYS A 48 28.412 -2.346 -0.087 1.00 0.00 S ATOM 0 H CYS A 48 25.316 -1.671 2.836 1.00 0.00 H new ATOM 0 HA CYS A 48 25.498 -2.905 0.212 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.694 -0.858 0.702 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.536 -1.626 2.034 1.00 0.00 H new ATOM 745 N ASN A 49 26.223 -5.171 0.837 1.00 0.00 N ATOM 746 CA ASN A 49 26.679 -6.518 1.131 1.00 0.00 C ATOM 747 C ASN A 49 27.995 -6.776 0.406 1.00 0.00 C ATOM 748 O ASN A 49 28.468 -5.924 -0.349 1.00 0.00 O ATOM 749 CB ASN A 49 25.621 -7.538 0.704 1.00 0.00 C ATOM 750 CG ASN A 49 25.021 -7.201 -0.642 1.00 0.00 C ATOM 751 OD1 ASN A 49 25.438 -7.725 -1.673 1.00 0.00 O ATOM 752 ND2 ASN A 49 24.039 -6.310 -0.639 1.00 0.00 N ATOM 0 H ASN A 49 25.714 -5.080 -0.042 1.00 0.00 H new ATOM 0 HA ASN A 49 26.838 -6.621 2.204 1.00 0.00 H new ATOM 0 HB2 ASN A 49 26.070 -8.530 0.663 1.00 0.00 H new ATOM 0 HB3 ASN A 49 24.831 -7.576 1.454 1.00 0.00 H new ATOM 0 HD21 ASN A 49 23.598 -6.034 -1.516 1.00 0.00 H new ATOM 0 HD22 ASN A 49 23.725 -5.900 0.241 1.00 0.00 H new ATOM 759 N SER A 50 28.589 -7.939 0.629 1.00 0.00 N ATOM 760 CA SER A 50 29.847 -8.281 -0.027 1.00 0.00 C ATOM 761 C SER A 50 29.552 -8.910 -1.386 1.00 0.00 C ATOM 762 O SER A 50 29.881 -10.067 -1.649 1.00 0.00 O ATOM 763 CB SER A 50 30.666 -9.232 0.845 1.00 0.00 C ATOM 764 OG SER A 50 31.860 -9.627 0.191 1.00 0.00 O ATOM 0 H SER A 50 28.225 -8.658 1.254 1.00 0.00 H new ATOM 0 HA SER A 50 30.435 -7.375 -0.174 1.00 0.00 H new ATOM 0 HB2 SER A 50 30.909 -8.745 1.789 1.00 0.00 H new ATOM 0 HB3 SER A 50 30.071 -10.113 1.085 1.00 0.00 H new ATOM 0 HG SER A 50 31.640 -10.044 -0.668 1.00 0.00 H new ATOM 770 N ASP A 51 28.920 -8.110 -2.235 1.00 0.00 N ATOM 771 CA ASP A 51 28.531 -8.513 -3.581 1.00 0.00 C ATOM 772 C ASP A 51 28.522 -7.302 -4.506 1.00 0.00 C ATOM 773 O ASP A 51 28.178 -7.405 -5.683 1.00 0.00 O ATOM 774 CB ASP A 51 27.134 -9.130 -3.555 1.00 0.00 C ATOM 775 CG ASP A 51 26.863 -10.002 -4.766 1.00 0.00 C ATOM 776 OD1 ASP A 51 26.588 -9.446 -5.850 1.00 0.00 O ATOM 777 OD2 ASP A 51 26.927 -11.242 -4.631 1.00 0.00 O ATOM 0 H ASP A 51 28.660 -7.151 -2.006 1.00 0.00 H new ATOM 0 HA ASP A 51 29.249 -9.246 -3.947 1.00 0.00 H new ATOM 0 HB2 ASP A 51 27.020 -9.726 -2.649 1.00 0.00 H new ATOM 0 HB3 ASP A 51 26.390 -8.335 -3.510 1.00 0.00 H new ATOM 782 N GLY A 52 28.914 -6.155 -3.958 1.00 0.00 N ATOM 783 CA GLY A 52 28.921 -4.930 -4.737 1.00 0.00 C ATOM 784 C GLY A 52 27.542 -4.576 -5.255 1.00 0.00 C ATOM 785 O GLY A 52 27.379 -3.776 -6.177 1.00 0.00 O ATOM 0 H GLY A 52 29.226 -6.052 -2.992 1.00 0.00 H new ATOM 0 HA2 GLY A 52 29.298 -4.112 -4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 52 29.606 -5.039 -5.577 1.00 0.00 H new ATOM 789 N GLU A 53 26.559 -5.207 -4.627 1.00 0.00 N ATOM 790 CA GLU A 53 25.159 -4.967 -4.949 1.00 0.00 C ATOM 791 C GLU A 53 24.374 -4.676 -3.678 1.00 0.00 C ATOM 792 O GLU A 53 24.868 -4.895 -2.573 1.00 0.00 O ATOM 793 CB GLU A 53 24.553 -6.174 -5.670 1.00 0.00 C ATOM 794 CG GLU A 53 24.080 -7.275 -4.733 1.00 0.00 C ATOM 795 CD GLU A 53 23.403 -8.413 -5.470 1.00 0.00 C ATOM 796 OE1 GLU A 53 22.303 -8.192 -6.019 1.00 0.00 O ATOM 797 OE2 GLU A 53 23.972 -9.525 -5.499 1.00 0.00 O ATOM 0 H GLU A 53 26.707 -5.893 -3.887 1.00 0.00 H new ATOM 0 HA GLU A 53 25.103 -4.104 -5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 53 23.711 -5.839 -6.276 1.00 0.00 H new ATOM 0 HB3 GLU A 53 25.294 -6.586 -6.355 1.00 0.00 H new ATOM 0 HG2 GLU A 53 24.932 -7.664 -4.175 1.00 0.00 H new ATOM 0 HG3 GLU A 53 23.387 -6.855 -4.004 1.00 0.00 H new ATOM 804 N TRP A 54 23.159 -4.169 -3.837 1.00 0.00 N ATOM 805 CA TRP A 54 22.307 -3.867 -2.707 1.00 0.00 C ATOM 806 C TRP A 54 21.327 -5.007 -2.476 1.00 0.00 C ATOM 807 O TRP A 54 20.430 -5.267 -3.278 1.00 0.00 O ATOM 808 CB TRP A 54 21.577 -2.555 -2.963 1.00 0.00 C ATOM 809 CG TRP A 54 22.515 -1.400 -3.135 1.00 0.00 C ATOM 810 CD1 TRP A 54 22.878 -0.800 -4.306 1.00 0.00 C ATOM 811 CD2 TRP A 54 23.228 -0.719 -2.099 1.00 0.00 C ATOM 812 NE1 TRP A 54 23.765 0.221 -4.058 1.00 0.00 N ATOM 813 CE2 TRP A 54 23.996 0.290 -2.710 1.00 0.00 C ATOM 814 CE3 TRP A 54 23.285 -0.863 -0.712 1.00 0.00 C ATOM 815 CZ2 TRP A 54 24.813 1.149 -1.979 1.00 0.00 C ATOM 816 CZ3 TRP A 54 24.096 -0.010 0.014 1.00 0.00 C ATOM 817 CH2 TRP A 54 24.850 0.984 -0.621 1.00 0.00 C ATOM 0 H TRP A 54 22.744 -3.959 -4.745 1.00 0.00 H new ATOM 0 HA TRP A 54 22.911 -3.758 -1.806 1.00 0.00 H new ATOM 0 HB2 TRP A 54 20.961 -2.654 -3.857 1.00 0.00 H new ATOM 0 HB3 TRP A 54 20.902 -2.350 -2.132 1.00 0.00 H new ATOM 0 HD1 TRP A 54 22.521 -1.085 -5.284 1.00 0.00 H new ATOM 0 HE1 TRP A 54 24.183 0.828 -4.763 1.00 0.00 H new ATOM 0 HE3 TRP A 54 22.706 -1.627 -0.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 25.396 1.917 -2.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 24.149 -0.112 1.088 1.00 0.00 H new ATOM 0 HH2 TRP A 54 25.474 1.635 -0.026 1.00 0.00 H new ATOM 828 N VAL A 55 21.535 -5.679 -1.350 1.00 0.00 N ATOM 829 CA VAL A 55 20.744 -6.832 -0.947 1.00 0.00 C ATOM 830 C VAL A 55 19.640 -6.397 0.006 1.00 0.00 C ATOM 831 O VAL A 55 19.829 -5.458 0.782 1.00 0.00 O ATOM 832 CB VAL A 55 21.648 -7.871 -0.250 1.00 0.00 C ATOM 833 CG1 VAL A 55 20.901 -8.628 0.831 1.00 0.00 C ATOM 834 CG2 VAL A 55 22.241 -8.833 -1.265 1.00 0.00 C ATOM 0 H VAL A 55 22.267 -5.434 -0.684 1.00 0.00 H new ATOM 0 HA VAL A 55 20.297 -7.281 -1.834 1.00 0.00 H new ATOM 0 HB VAL A 55 22.461 -7.328 0.231 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.571 -9.350 1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.541 -7.927 1.584 1.00 0.00 H new ATOM 0 HG13 VAL A 55 20.054 -9.152 0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 55 22.875 -9.557 -0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 55 21.437 -9.356 -1.783 1.00 0.00 H new ATOM 0 HG23 VAL A 55 22.837 -8.277 -1.989 1.00 0.00 H new ATOM 844 N TYR A 56 18.495 -7.080 -0.038 1.00 0.00 N ATOM 845 CA TYR A 56 17.403 -6.741 0.873 1.00 0.00 C ATOM 846 C TYR A 56 16.162 -7.600 0.646 1.00 0.00 C ATOM 847 O TYR A 56 16.094 -8.367 -0.315 1.00 0.00 O ATOM 848 CB TYR A 56 17.028 -5.266 0.712 1.00 0.00 C ATOM 849 CG TYR A 56 16.593 -4.907 -0.695 1.00 0.00 C ATOM 850 CD1 TYR A 56 17.530 -4.663 -1.691 1.00 0.00 C ATOM 851 CD2 TYR A 56 15.247 -4.819 -1.027 1.00 0.00 C ATOM 852 CE1 TYR A 56 17.139 -4.339 -2.977 1.00 0.00 C ATOM 853 CE2 TYR A 56 14.848 -4.495 -2.311 1.00 0.00 C ATOM 854 CZ TYR A 56 15.796 -4.256 -3.281 1.00 0.00 C ATOM 855 OH TYR A 56 15.403 -3.934 -4.560 1.00 0.00 O ATOM 0 H TYR A 56 18.303 -7.851 -0.677 1.00 0.00 H new ATOM 0 HA TYR A 56 17.762 -6.936 1.884 1.00 0.00 H new ATOM 0 HB2 TYR A 56 16.223 -5.025 1.406 1.00 0.00 H new ATOM 0 HB3 TYR A 56 17.883 -4.649 0.989 1.00 0.00 H new ATOM 0 HD1 TYR A 56 18.582 -4.728 -1.457 1.00 0.00 H new ATOM 0 HD2 TYR A 56 14.500 -5.007 -0.270 1.00 0.00 H new ATOM 0 HE1 TYR A 56 17.881 -4.152 -3.739 1.00 0.00 H new ATOM 0 HE2 TYR A 56 13.797 -4.430 -2.552 1.00 0.00 H new ATOM 0 HH TYR A 56 14.424 -3.918 -4.607 1.00 0.00 H new ATOM 865 N ASN A 57 15.181 -7.464 1.534 1.00 0.00 N ATOM 866 CA ASN A 57 13.947 -8.238 1.436 1.00 0.00 C ATOM 867 C ASN A 57 12.823 -7.407 0.830 1.00 0.00 C ATOM 868 O ASN A 57 13.025 -6.253 0.452 1.00 0.00 O ATOM 869 CB ASN A 57 13.533 -8.747 2.819 1.00 0.00 C ATOM 870 CG ASN A 57 14.544 -9.716 3.404 1.00 0.00 C ATOM 871 OD1 ASN A 57 15.197 -10.462 2.675 1.00 0.00 O ATOM 872 ND2 ASN A 57 14.677 -9.707 4.725 1.00 0.00 N ATOM 0 H ASN A 57 15.216 -6.826 2.329 1.00 0.00 H new ATOM 0 HA ASN A 57 14.134 -9.089 0.780 1.00 0.00 H new ATOM 0 HB2 ASN A 57 13.413 -7.900 3.494 1.00 0.00 H new ATOM 0 HB3 ASN A 57 12.562 -9.238 2.747 1.00 0.00 H new ATOM 0 HD21 ASN A 57 15.342 -10.336 5.175 1.00 0.00 H new ATOM 0 HD22 ASN A 57 14.114 -9.071 5.290 1.00 0.00 H new ATOM 879 N THR A 58 11.637 -8.001 0.742 1.00 0.00 N ATOM 880 CA THR A 58 10.482 -7.318 0.177 1.00 0.00 C ATOM 881 C THR A 58 9.674 -6.610 1.261 1.00 0.00 C ATOM 882 O THR A 58 8.666 -7.131 1.740 1.00 0.00 O ATOM 883 CB THR A 58 9.565 -8.296 -0.580 1.00 0.00 C ATOM 884 OG1 THR A 58 10.340 -9.109 -1.469 1.00 0.00 O ATOM 885 CG2 THR A 58 8.510 -7.540 -1.374 1.00 0.00 C ATOM 0 H THR A 58 11.452 -8.954 1.055 1.00 0.00 H new ATOM 0 HA THR A 58 10.866 -6.577 -0.525 1.00 0.00 H new ATOM 0 HB THR A 58 9.066 -8.931 0.152 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.749 -9.729 -1.945 1.00 0.00 H new ATOM 0 HG21 THR A 58 7.873 -8.250 -1.901 1.00 0.00 H new ATOM 0 HG22 THR A 58 7.902 -6.942 -0.695 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.998 -6.885 -2.096 1.00 0.00 H new ATOM 893 N PHE A 59 10.132 -5.425 1.647 1.00 0.00 N ATOM 894 CA PHE A 59 9.455 -4.629 2.666 1.00 0.00 C ATOM 895 C PHE A 59 8.271 -3.883 2.055 1.00 0.00 C ATOM 896 O PHE A 59 8.405 -3.245 1.012 1.00 0.00 O ATOM 897 CB PHE A 59 10.434 -3.635 3.295 1.00 0.00 C ATOM 898 CG PHE A 59 11.323 -2.954 2.292 1.00 0.00 C ATOM 899 CD1 PHE A 59 10.925 -1.778 1.679 1.00 0.00 C ATOM 900 CD2 PHE A 59 12.555 -3.494 1.963 1.00 0.00 C ATOM 901 CE1 PHE A 59 11.741 -1.154 0.756 1.00 0.00 C ATOM 902 CE2 PHE A 59 13.374 -2.875 1.040 1.00 0.00 C ATOM 903 CZ PHE A 59 12.967 -1.704 0.435 1.00 0.00 C ATOM 0 H PHE A 59 10.974 -4.992 1.268 1.00 0.00 H new ATOM 0 HA PHE A 59 9.084 -5.298 3.442 1.00 0.00 H new ATOM 0 HB2 PHE A 59 9.871 -2.879 3.842 1.00 0.00 H new ATOM 0 HB3 PHE A 59 11.054 -4.159 4.022 1.00 0.00 H new ATOM 0 HD1 PHE A 59 9.967 -1.344 1.925 1.00 0.00 H new ATOM 0 HD2 PHE A 59 12.879 -4.410 2.434 1.00 0.00 H new ATOM 0 HE1 PHE A 59 11.421 -0.236 0.285 1.00 0.00 H new ATOM 0 HE2 PHE A 59 14.332 -3.307 0.792 1.00 0.00 H new ATOM 0 HZ PHE A 59 13.605 -1.218 -0.288 1.00 0.00 H new ATOM 913 N CYS A 60 7.112 -3.971 2.708 1.00 0.00 N ATOM 914 CA CYS A 60 5.898 -3.311 2.224 1.00 0.00 C ATOM 915 C CYS A 60 5.461 -3.891 0.881 1.00 0.00 C ATOM 916 O CYS A 60 6.244 -3.926 -0.068 1.00 0.00 O ATOM 917 CB CYS A 60 6.118 -1.803 2.059 1.00 0.00 C ATOM 918 SG CYS A 60 7.066 -1.007 3.393 1.00 0.00 S ATOM 0 H CYS A 60 6.988 -4.494 3.575 1.00 0.00 H new ATOM 0 HA CYS A 60 5.120 -3.484 2.968 1.00 0.00 H new ATOM 0 HB2 CYS A 60 6.634 -1.629 1.115 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.146 -1.316 1.986 1.00 0.00 H new ATOM 923 N ILE A 61 4.214 -4.349 0.794 1.00 0.00 N ATOM 924 CA ILE A 61 3.710 -4.890 -0.461 1.00 0.00 C ATOM 925 C ILE A 61 2.452 -4.178 -0.916 1.00 0.00 C ATOM 926 O ILE A 61 1.433 -4.150 -0.226 1.00 0.00 O ATOM 927 CB ILE A 61 3.449 -6.404 -0.410 1.00 0.00 C ATOM 928 CG1 ILE A 61 2.551 -6.771 0.770 1.00 0.00 C ATOM 929 CG2 ILE A 61 4.768 -7.149 -0.350 1.00 0.00 C ATOM 930 CD1 ILE A 61 2.406 -8.265 0.974 1.00 0.00 C ATOM 0 H ILE A 61 3.546 -4.356 1.565 1.00 0.00 H new ATOM 0 HA ILE A 61 4.506 -4.715 -1.185 1.00 0.00 H new ATOM 0 HB ILE A 61 2.922 -6.699 -1.318 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.957 -6.326 1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.564 -6.335 0.615 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.579 -8.222 -0.314 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.359 -6.914 -1.235 1.00 0.00 H new ATOM 0 HG23 ILE A 61 5.316 -6.847 0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.756 -8.454 1.828 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.972 -8.714 0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.386 -8.704 1.160 1.00 0.00 H new ATOM 942 N TYR A 62 2.554 -3.607 -2.099 1.00 0.00 N ATOM 943 CA TYR A 62 1.465 -2.872 -2.722 1.00 0.00 C ATOM 944 C TYR A 62 0.315 -3.786 -3.110 1.00 0.00 C ATOM 945 O TYR A 62 0.481 -4.704 -3.913 1.00 0.00 O ATOM 946 CB TYR A 62 1.987 -2.164 -3.969 1.00 0.00 C ATOM 947 CG TYR A 62 1.372 -0.805 -4.186 1.00 0.00 C ATOM 948 CD1 TYR A 62 0.004 -0.649 -4.359 1.00 0.00 C ATOM 949 CD2 TYR A 62 2.167 0.326 -4.193 1.00 0.00 C ATOM 950 CE1 TYR A 62 -0.550 0.603 -4.538 1.00 0.00 C ATOM 951 CE2 TYR A 62 1.630 1.581 -4.365 1.00 0.00 C ATOM 952 CZ TYR A 62 0.269 1.718 -4.539 1.00 0.00 C ATOM 953 OH TYR A 62 -0.272 2.969 -4.711 1.00 0.00 O ATOM 0 H TYR A 62 3.403 -3.639 -2.663 1.00 0.00 H new ATOM 0 HA TYR A 62 1.089 -2.149 -1.998 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.069 -2.057 -3.891 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.790 -2.787 -4.841 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.636 -1.519 -4.354 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.234 0.222 -4.060 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.616 0.711 -4.676 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.269 2.452 -4.364 1.00 0.00 H new ATOM 0 HH TYR A 62 -0.535 3.334 -3.840 1.00 0.00 H new ATOM 963 N LYS A 63 -0.853 -3.530 -2.531 1.00 0.00 N ATOM 964 CA LYS A 63 -2.053 -4.290 -2.839 1.00 0.00 C ATOM 965 C LYS A 63 -3.288 -3.485 -2.445 1.00 0.00 C ATOM 966 O LYS A 63 -3.462 -3.123 -1.281 1.00 0.00 O ATOM 967 CB LYS A 63 -2.040 -5.642 -2.111 1.00 0.00 C ATOM 968 CG LYS A 63 -2.194 -5.531 -0.601 1.00 0.00 C ATOM 969 CD LYS A 63 -2.202 -6.896 0.076 1.00 0.00 C ATOM 970 CE LYS A 63 -0.810 -7.331 0.494 1.00 0.00 C ATOM 971 NZ LYS A 63 -0.555 -8.761 0.160 1.00 0.00 N ATOM 0 H LYS A 63 -0.992 -2.794 -1.839 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.081 -4.483 -3.911 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.845 -6.263 -2.504 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.104 -6.155 -2.334 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.378 -4.931 -0.197 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.121 -5.006 -0.369 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -2.850 -6.862 0.952 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.624 -7.636 -0.604 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.069 -6.704 -0.002 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.689 -7.181 1.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.103 -9.232 0.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.456 -9.233 -0.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.073 -8.818 -0.667 1.00 0.00 H new ATOM 985 N ARG A 64 -4.137 -3.191 -3.419 1.00 0.00 N ATOM 986 CA ARG A 64 -5.351 -2.427 -3.168 1.00 0.00 C ATOM 987 C ARG A 64 -6.573 -3.159 -3.712 1.00 0.00 C ATOM 988 O ARG A 64 -6.474 -4.301 -4.149 1.00 0.00 O ATOM 989 CB ARG A 64 -5.240 -1.037 -3.792 1.00 0.00 C ATOM 990 CG ARG A 64 -4.700 -1.048 -5.209 1.00 0.00 C ATOM 991 CD ARG A 64 -3.777 0.133 -5.451 1.00 0.00 C ATOM 992 NE ARG A 64 -4.463 1.411 -5.284 1.00 0.00 N ATOM 993 CZ ARG A 64 -3.933 2.583 -5.620 1.00 0.00 C ATOM 994 NH1 ARG A 64 -2.716 2.637 -6.148 1.00 0.00 N ATOM 995 NH2 ARG A 64 -4.618 3.702 -5.430 1.00 0.00 N ATOM 0 H ARG A 64 -4.008 -3.470 -4.391 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.472 -2.318 -2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.224 -0.568 -3.791 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.592 -0.420 -3.170 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.161 -1.978 -5.389 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.528 -1.018 -5.917 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -2.935 0.081 -4.761 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.367 0.071 -6.459 1.00 0.00 H new ATOM 0 HE ARG A 64 -5.402 1.404 -4.887 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.186 1.778 -6.297 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -2.311 3.537 -6.405 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -5.554 3.665 -5.025 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -4.209 4.600 -5.688 1.00 0.00 H new ATOM 1009 N CYS A 65 -7.720 -2.493 -3.695 1.00 0.00 N ATOM 1010 CA CYS A 65 -8.952 -3.094 -4.181 1.00 0.00 C ATOM 1011 C CYS A 65 -9.616 -2.175 -5.187 1.00 0.00 C ATOM 1012 O CYS A 65 -9.798 -0.986 -4.920 1.00 0.00 O ATOM 1013 CB CYS A 65 -9.911 -3.368 -3.022 1.00 0.00 C ATOM 1014 SG CYS A 65 -9.131 -4.153 -1.577 1.00 0.00 S ATOM 0 H CYS A 65 -7.822 -1.538 -3.350 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.706 -4.040 -4.663 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -10.364 -2.427 -2.710 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -10.719 -4.008 -3.377 1.00 0.00 H new ATOM 1019 N ARG A 66 -9.969 -2.717 -6.345 1.00 0.00 N ATOM 1020 CA ARG A 66 -10.618 -1.916 -7.371 1.00 0.00 C ATOM 1021 C ARG A 66 -11.768 -1.126 -6.761 1.00 0.00 C ATOM 1022 O ARG A 66 -12.486 -1.622 -5.897 1.00 0.00 O ATOM 1023 CB ARG A 66 -11.115 -2.792 -8.523 1.00 0.00 C ATOM 1024 CG ARG A 66 -11.919 -2.032 -9.565 1.00 0.00 C ATOM 1025 CD ARG A 66 -11.087 -0.941 -10.216 1.00 0.00 C ATOM 1026 NE ARG A 66 -10.030 -1.489 -11.062 1.00 0.00 N ATOM 1027 CZ ARG A 66 -8.961 -0.797 -11.448 1.00 0.00 C ATOM 1028 NH1 ARG A 66 -8.808 0.464 -11.068 1.00 0.00 N ATOM 1029 NH2 ARG A 66 -8.044 -1.368 -12.216 1.00 0.00 N ATOM 0 H ARG A 66 -9.819 -3.695 -6.594 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.886 -1.218 -7.779 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.258 -3.260 -9.008 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.730 -3.596 -8.118 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.276 -2.724 -10.328 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -12.799 -1.591 -9.098 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.734 -0.300 -10.814 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.644 -0.313 -9.443 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.116 -2.456 -11.374 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.511 0.908 -10.477 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -7.987 0.991 -11.366 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.158 -2.338 -12.511 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -7.225 -0.838 -12.512 1.00 0.00 H new ATOM 1043 N HIS A 67 -11.928 0.102 -7.223 1.00 0.00 N ATOM 1044 CA HIS A 67 -12.980 0.977 -6.716 1.00 0.00 C ATOM 1045 C HIS A 67 -14.321 0.241 -6.618 1.00 0.00 C ATOM 1046 O HIS A 67 -14.757 -0.388 -7.582 1.00 0.00 O ATOM 1047 CB HIS A 67 -13.123 2.201 -7.624 1.00 0.00 C ATOM 1048 CG HIS A 67 -14.055 3.243 -7.090 1.00 0.00 C ATOM 1049 ND1 HIS A 67 -15.367 3.359 -7.495 1.00 0.00 N ATOM 1050 CD2 HIS A 67 -13.855 4.226 -6.183 1.00 0.00 C ATOM 1051 CE1 HIS A 67 -15.934 4.368 -6.859 1.00 0.00 C ATOM 1052 NE2 HIS A 67 -15.038 4.912 -6.057 1.00 0.00 N ATOM 0 H HIS A 67 -11.345 0.519 -7.948 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.697 1.297 -5.713 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.140 2.648 -7.773 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -13.478 1.877 -8.602 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -12.936 4.433 -5.656 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -16.957 4.693 -6.975 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -15.198 5.711 -5.444 1.00 0.00 H new ATOM 1061 N PRO A 68 -14.987 0.307 -5.445 1.00 0.00 N ATOM 1062 CA PRO A 68 -16.291 -0.335 -5.229 1.00 0.00 C ATOM 1063 C PRO A 68 -17.259 -0.030 -6.358 1.00 0.00 C ATOM 1064 O PRO A 68 -18.033 -0.887 -6.784 1.00 0.00 O ATOM 1065 CB PRO A 68 -16.801 0.302 -3.926 1.00 0.00 C ATOM 1066 CG PRO A 68 -15.859 1.419 -3.621 1.00 0.00 C ATOM 1067 CD PRO A 68 -14.550 1.030 -4.245 1.00 0.00 C ATOM 0 HA PRO A 68 -16.206 -1.421 -5.184 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -17.820 0.671 -4.044 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -16.818 -0.427 -3.116 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -16.223 2.361 -4.031 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.753 1.559 -2.545 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -13.941 1.900 -4.492 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -13.954 0.401 -3.584 1.00 0.00 H new ATOM 1075 N GLY A 69 -17.200 1.204 -6.838 1.00 0.00 N ATOM 1076 CA GLY A 69 -18.099 1.641 -7.883 1.00 0.00 C ATOM 1077 C GLY A 69 -19.074 2.674 -7.358 1.00 0.00 C ATOM 1078 O GLY A 69 -19.047 3.040 -6.183 1.00 0.00 O ATOM 0 H GLY A 69 -16.540 1.914 -6.519 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -17.526 2.062 -8.709 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -18.647 0.786 -8.279 1.00 0.00 H new ATOM 1082 N GLU A 70 -19.935 3.135 -8.252 1.00 0.00 N ATOM 1083 CA GLU A 70 -20.929 4.130 -7.897 1.00 0.00 C ATOM 1084 C GLU A 70 -22.114 3.476 -7.194 1.00 0.00 C ATOM 1085 O GLU A 70 -22.637 2.456 -7.642 1.00 0.00 O ATOM 1086 CB GLU A 70 -21.394 4.908 -9.129 1.00 0.00 C ATOM 1087 CG GLU A 70 -22.415 5.990 -8.817 1.00 0.00 C ATOM 1088 CD GLU A 70 -22.899 6.709 -10.061 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -22.251 7.697 -10.466 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -23.926 6.284 -10.631 1.00 0.00 O ATOM 0 H GLU A 70 -19.964 2.835 -9.227 1.00 0.00 H new ATOM 0 HA GLU A 70 -20.467 4.838 -7.209 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.528 5.365 -9.608 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -21.824 4.210 -9.848 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -23.267 5.544 -8.305 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -21.974 6.714 -8.131 1.00 0.00 H new ATOM 1097 N LEU A 71 -22.525 4.084 -6.086 1.00 0.00 N ATOM 1098 CA LEU A 71 -23.664 3.603 -5.316 1.00 0.00 C ATOM 1099 C LEU A 71 -24.902 4.361 -5.769 1.00 0.00 C ATOM 1100 O LEU A 71 -25.148 5.476 -5.312 1.00 0.00 O ATOM 1101 CB LEU A 71 -23.425 3.826 -3.813 1.00 0.00 C ATOM 1102 CG LEU A 71 -24.079 2.812 -2.864 1.00 0.00 C ATOM 1103 CD1 LEU A 71 -23.832 3.210 -1.417 1.00 0.00 C ATOM 1104 CD2 LEU A 71 -25.571 2.681 -3.131 1.00 0.00 C ATOM 0 H LEU A 71 -22.081 4.917 -5.700 1.00 0.00 H new ATOM 0 HA LEU A 71 -23.799 2.534 -5.481 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -22.350 3.820 -3.633 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -23.786 4.821 -3.553 1.00 0.00 H new ATOM 0 HG LEU A 71 -23.623 1.839 -3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -24.301 2.483 -0.754 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -22.759 3.237 -1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -24.258 4.196 -1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -26.002 1.955 -2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -26.053 3.648 -2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -25.729 2.346 -4.156 1.00 0.00 H new ATOM 1116 N ARG A 72 -25.679 3.770 -6.671 1.00 0.00 N ATOM 1117 CA ARG A 72 -26.895 4.431 -7.133 1.00 0.00 C ATOM 1118 C ARG A 72 -27.835 4.594 -5.949 1.00 0.00 C ATOM 1119 O ARG A 72 -28.208 3.624 -5.289 1.00 0.00 O ATOM 1120 CB ARG A 72 -27.558 3.671 -8.282 1.00 0.00 C ATOM 1121 CG ARG A 72 -28.892 4.255 -8.711 1.00 0.00 C ATOM 1122 CD ARG A 72 -29.490 3.484 -9.877 1.00 0.00 C ATOM 1123 NE ARG A 72 -28.643 3.542 -11.064 1.00 0.00 N ATOM 1124 CZ ARG A 72 -28.981 3.017 -12.239 1.00 0.00 C ATOM 1125 NH1 ARG A 72 -30.142 2.391 -12.381 1.00 0.00 N ATOM 1126 NH2 ARG A 72 -28.157 3.116 -13.273 1.00 0.00 N ATOM 0 H ARG A 72 -25.496 2.857 -7.088 1.00 0.00 H new ATOM 0 HA ARG A 72 -26.641 5.412 -7.533 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -26.883 3.663 -9.138 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -27.705 2.633 -7.982 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -29.585 4.239 -7.870 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -28.759 5.299 -8.994 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -29.636 2.444 -9.587 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -30.474 3.890 -10.113 1.00 0.00 H new ATOM 0 HE ARG A 72 -27.741 4.012 -10.989 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -30.779 2.311 -11.588 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -30.398 1.990 -13.283 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -27.263 3.595 -13.168 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -28.417 2.713 -14.173 1.00 0.00 H new ATOM 1140 N ASN A 73 -28.202 5.850 -5.696 1.00 0.00 N ATOM 1141 CA ASN A 73 -29.024 6.192 -4.550 1.00 0.00 C ATOM 1142 C ASN A 73 -28.211 5.860 -3.315 1.00 0.00 C ATOM 1143 O ASN A 73 -28.712 5.252 -2.372 1.00 0.00 O ATOM 1144 CB ASN A 73 -30.350 5.426 -4.556 1.00 0.00 C ATOM 1145 CG ASN A 73 -31.241 5.814 -5.719 1.00 0.00 C ATOM 1146 OD1 ASN A 73 -32.002 6.779 -5.639 1.00 0.00 O ATOM 1147 ND2 ASN A 73 -31.155 5.058 -6.806 1.00 0.00 N ATOM 0 H ASN A 73 -27.938 6.646 -6.276 1.00 0.00 H new ATOM 0 HA ASN A 73 -29.287 7.250 -4.574 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -30.147 4.356 -4.600 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -30.878 5.613 -3.621 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -31.734 5.267 -7.620 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -30.510 4.268 -6.828 1.00 0.00 H new ATOM 1154 N GLY A 74 -26.954 6.297 -3.317 1.00 0.00 N ATOM 1155 CA GLY A 74 -26.079 6.007 -2.206 1.00 0.00 C ATOM 1156 C GLY A 74 -24.762 6.755 -2.286 1.00 0.00 C ATOM 1157 O GLY A 74 -24.501 7.471 -3.254 1.00 0.00 O ATOM 0 H GLY A 74 -26.532 6.844 -4.067 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -26.583 6.266 -1.275 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -25.882 4.935 -2.174 1.00 0.00 H new ATOM 1161 N GLN A 75 -23.931 6.587 -1.259 1.00 0.00 N ATOM 1162 CA GLN A 75 -22.637 7.260 -1.212 1.00 0.00 C ATOM 1163 C GLN A 75 -21.523 6.301 -0.797 1.00 0.00 C ATOM 1164 O GLN A 75 -21.684 5.500 0.123 1.00 0.00 O ATOM 1165 CB GLN A 75 -22.688 8.446 -0.244 1.00 0.00 C ATOM 1166 CG GLN A 75 -21.367 9.189 -0.123 1.00 0.00 C ATOM 1167 CD GLN A 75 -21.459 10.418 0.763 1.00 0.00 C ATOM 1168 OE1 GLN A 75 -20.739 11.397 0.559 1.00 0.00 O ATOM 1169 NE2 GLN A 75 -22.342 10.373 1.754 1.00 0.00 N ATOM 0 H GLN A 75 -24.130 5.994 -0.453 1.00 0.00 H new ATOM 0 HA GLN A 75 -22.417 7.623 -2.216 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -23.458 9.142 -0.576 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -22.986 8.088 0.741 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -20.612 8.514 0.279 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -21.032 9.488 -1.116 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -22.918 9.542 1.886 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -22.444 11.170 2.383 1.00 0.00 H new ATOM 1178 N VAL A 76 -20.393 6.397 -1.490 1.00 0.00 N ATOM 1179 CA VAL A 76 -19.244 5.549 -1.192 1.00 0.00 C ATOM 1180 C VAL A 76 -18.169 6.348 -0.467 1.00 0.00 C ATOM 1181 O VAL A 76 -17.504 7.193 -1.067 1.00 0.00 O ATOM 1182 CB VAL A 76 -18.631 4.933 -2.462 1.00 0.00 C ATOM 1183 CG1 VAL A 76 -17.484 4.000 -2.094 1.00 0.00 C ATOM 1184 CG2 VAL A 76 -19.692 4.198 -3.267 1.00 0.00 C ATOM 0 H VAL A 76 -20.248 7.051 -2.259 1.00 0.00 H new ATOM 0 HA VAL A 76 -19.607 4.740 -0.558 1.00 0.00 H new ATOM 0 HB VAL A 76 -18.235 5.736 -3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -17.059 3.571 -3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.715 4.561 -1.563 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -17.857 3.200 -1.454 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -19.239 3.770 -4.161 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -20.122 3.401 -2.660 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -20.477 4.896 -3.557 1.00 0.00 H new ATOM 1194 N GLU A 77 -18.001 6.085 0.823 1.00 0.00 N ATOM 1195 CA GLU A 77 -16.997 6.788 1.609 1.00 0.00 C ATOM 1196 C GLU A 77 -15.600 6.273 1.287 1.00 0.00 C ATOM 1197 O GLU A 77 -15.170 5.244 1.809 1.00 0.00 O ATOM 1198 CB GLU A 77 -17.273 6.633 3.101 1.00 0.00 C ATOM 1199 CG GLU A 77 -16.295 7.400 3.975 1.00 0.00 C ATOM 1200 CD GLU A 77 -16.543 8.895 3.953 1.00 0.00 C ATOM 1201 OE1 GLU A 77 -15.970 9.580 3.080 1.00 0.00 O ATOM 1202 OE2 GLU A 77 -17.312 9.381 4.809 1.00 0.00 O ATOM 0 H GLU A 77 -18.543 5.395 1.343 1.00 0.00 H new ATOM 0 HA GLU A 77 -17.050 7.845 1.349 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -18.286 6.975 3.314 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -17.232 5.576 3.363 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.369 7.038 5.001 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.278 7.199 3.639 1.00 0.00 H new ATOM 1209 N ILE A 78 -14.902 6.993 0.422 1.00 0.00 N ATOM 1210 CA ILE A 78 -13.549 6.621 0.029 1.00 0.00 C ATOM 1211 C ILE A 78 -12.541 7.599 0.618 1.00 0.00 C ATOM 1212 O ILE A 78 -12.713 8.814 0.519 1.00 0.00 O ATOM 1213 CB ILE A 78 -13.394 6.579 -1.505 1.00 0.00 C ATOM 1214 CG1 ILE A 78 -14.274 5.475 -2.104 1.00 0.00 C ATOM 1215 CG2 ILE A 78 -11.936 6.371 -1.890 1.00 0.00 C ATOM 1216 CD1 ILE A 78 -13.946 4.085 -1.599 1.00 0.00 C ATOM 0 H ILE A 78 -15.251 7.842 -0.023 1.00 0.00 H new ATOM 0 HA ILE A 78 -13.358 5.621 0.418 1.00 0.00 H new ATOM 0 HB ILE A 78 -13.721 7.536 -1.910 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -15.318 5.695 -1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -14.170 5.490 -3.189 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.847 6.344 -2.976 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -11.335 7.191 -1.497 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -11.581 5.429 -1.473 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -14.611 3.361 -2.069 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.913 3.842 -1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -14.078 4.050 -0.518 1.00 0.00 H new ATOM 1228 N LYS A 79 -11.491 7.065 1.229 1.00 0.00 N ATOM 1229 CA LYS A 79 -10.473 7.897 1.854 1.00 0.00 C ATOM 1230 C LYS A 79 -9.204 7.109 2.113 1.00 0.00 C ATOM 1231 O LYS A 79 -8.392 7.478 2.962 1.00 0.00 O ATOM 1232 CB LYS A 79 -10.996 8.450 3.177 1.00 0.00 C ATOM 1233 CG LYS A 79 -11.230 7.382 4.243 1.00 0.00 C ATOM 1234 CD LYS A 79 -12.230 6.326 3.797 1.00 0.00 C ATOM 1235 CE LYS A 79 -12.556 5.359 4.922 1.00 0.00 C ATOM 1236 NZ LYS A 79 -13.925 5.578 5.463 1.00 0.00 N ATOM 0 H LYS A 79 -11.323 6.062 1.305 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.243 8.715 1.171 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.285 9.182 3.560 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.932 8.979 2.994 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -10.282 6.901 4.486 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.590 7.857 5.156 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.145 6.811 3.456 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.825 5.775 2.948 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.469 4.335 4.557 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.826 5.475 5.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.096 4.921 6.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.011 6.557 5.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.626 5.409 4.713 1.00 0.00 H new ATOM 1250 N THR A 80 -9.032 6.032 1.373 1.00 0.00 N ATOM 1251 CA THR A 80 -7.865 5.189 1.540 1.00 0.00 C ATOM 1252 C THR A 80 -7.432 4.600 0.212 1.00 0.00 C ATOM 1253 O THR A 80 -6.580 3.711 0.169 1.00 0.00 O ATOM 1254 CB THR A 80 -8.144 4.051 2.537 1.00 0.00 C ATOM 1255 OG1 THR A 80 -9.210 3.224 2.056 1.00 0.00 O ATOM 1256 CG2 THR A 80 -8.505 4.610 3.906 1.00 0.00 C ATOM 0 H THR A 80 -9.683 5.720 0.652 1.00 0.00 H new ATOM 0 HA THR A 80 -7.063 5.814 1.933 1.00 0.00 H new ATOM 0 HB THR A 80 -7.239 3.452 2.633 1.00 0.00 H new ATOM 0 HG1 THR A 80 -9.874 3.101 2.766 1.00 0.00 H new ATOM 0 HG21 THR A 80 -8.698 3.788 4.595 1.00 0.00 H new ATOM 0 HG22 THR A 80 -7.678 5.213 4.283 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.397 5.230 3.822 1.00 0.00 H new ATOM 1264 N ASP A 81 -8.023 5.098 -0.873 1.00 0.00 N ATOM 1265 CA ASP A 81 -7.683 4.604 -2.206 1.00 0.00 C ATOM 1266 C ASP A 81 -7.979 3.115 -2.314 1.00 0.00 C ATOM 1267 O ASP A 81 -7.605 2.458 -3.286 1.00 0.00 O ATOM 1268 CB ASP A 81 -6.200 4.827 -2.465 1.00 0.00 C ATOM 1269 CG ASP A 81 -5.829 6.296 -2.513 1.00 0.00 C ATOM 1270 OD1 ASP A 81 -6.056 6.933 -3.563 1.00 0.00 O ATOM 1271 OD2 ASP A 81 -5.309 6.810 -1.500 1.00 0.00 O ATOM 0 H ASP A 81 -8.730 5.833 -0.857 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.282 5.144 -2.940 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -5.621 4.336 -1.683 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.925 4.356 -3.409 1.00 0.00 H new ATOM 1276 N LEU A 82 -8.653 2.605 -1.295 1.00 0.00 N ATOM 1277 CA LEU A 82 -8.998 1.193 -1.212 1.00 0.00 C ATOM 1278 C LEU A 82 -7.729 0.368 -1.051 1.00 0.00 C ATOM 1279 O LEU A 82 -7.470 -0.548 -1.829 1.00 0.00 O ATOM 1280 CB LEU A 82 -9.771 0.745 -2.455 1.00 0.00 C ATOM 1281 CG LEU A 82 -11.185 1.319 -2.604 1.00 0.00 C ATOM 1282 CD1 LEU A 82 -11.929 1.282 -1.277 1.00 0.00 C ATOM 1283 CD2 LEU A 82 -11.126 2.738 -3.146 1.00 0.00 C ATOM 0 H LEU A 82 -8.977 3.158 -0.501 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.641 1.039 -0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.193 1.019 -3.338 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.840 -0.343 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 82 -11.732 0.699 -3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.929 1.695 -1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -12.004 0.251 -0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -11.387 1.874 -0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -12.138 3.132 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -10.558 3.366 -2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.640 2.735 -4.121 1.00 0.00 H new ATOM 1295 N SER A 83 -6.944 0.692 -0.034 1.00 0.00 N ATOM 1296 CA SER A 83 -5.721 -0.047 0.245 1.00 0.00 C ATOM 1297 C SER A 83 -6.012 -1.157 1.248 1.00 0.00 C ATOM 1298 O SER A 83 -6.616 -0.908 2.291 1.00 0.00 O ATOM 1299 CB SER A 83 -4.637 0.888 0.785 1.00 0.00 C ATOM 1300 OG SER A 83 -5.047 1.500 1.996 1.00 0.00 O ATOM 0 H SER A 83 -7.131 1.460 0.611 1.00 0.00 H new ATOM 0 HA SER A 83 -5.356 -0.489 -0.682 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.718 0.326 0.951 1.00 0.00 H new ATOM 0 HB3 SER A 83 -4.412 1.655 0.044 1.00 0.00 H new ATOM 0 HG SER A 83 -5.667 0.906 2.469 1.00 0.00 H new ATOM 1306 N PHE A 84 -5.597 -2.382 0.916 1.00 0.00 N ATOM 1307 CA PHE A 84 -5.817 -3.543 1.784 1.00 0.00 C ATOM 1308 C PHE A 84 -5.831 -3.144 3.256 1.00 0.00 C ATOM 1309 O PHE A 84 -4.996 -2.357 3.703 1.00 0.00 O ATOM 1310 CB PHE A 84 -4.735 -4.598 1.548 1.00 0.00 C ATOM 1311 CG PHE A 84 -4.817 -5.765 2.493 1.00 0.00 C ATOM 1312 CD1 PHE A 84 -5.678 -6.819 2.238 1.00 0.00 C ATOM 1313 CD2 PHE A 84 -4.033 -5.807 3.636 1.00 0.00 C ATOM 1314 CE1 PHE A 84 -5.757 -7.893 3.105 1.00 0.00 C ATOM 1315 CE2 PHE A 84 -4.108 -6.878 4.507 1.00 0.00 C ATOM 1316 CZ PHE A 84 -4.972 -7.922 4.240 1.00 0.00 C ATOM 0 H PHE A 84 -5.105 -2.597 0.049 1.00 0.00 H new ATOM 0 HA PHE A 84 -6.792 -3.961 1.533 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -4.813 -4.964 0.524 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -3.755 -4.130 1.646 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -6.295 -6.802 1.352 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -3.356 -4.993 3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -6.433 -8.709 2.894 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.492 -6.898 5.394 1.00 0.00 H new ATOM 0 HZ PHE A 84 -5.033 -8.760 4.918 1.00 0.00 H new ATOM 1326 N GLY A 85 -6.778 -3.698 4.009 1.00 0.00 N ATOM 1327 CA GLY A 85 -6.884 -3.383 5.419 1.00 0.00 C ATOM 1328 C GLY A 85 -7.603 -2.071 5.657 1.00 0.00 C ATOM 1329 O GLY A 85 -7.231 -1.306 6.547 1.00 0.00 O ATOM 0 H GLY A 85 -7.474 -4.360 3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.416 -4.185 5.930 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -5.886 -3.333 5.855 1.00 0.00 H new ATOM 1333 N SER A 86 -8.638 -1.806 4.860 1.00 0.00 N ATOM 1334 CA SER A 86 -9.399 -0.569 4.995 1.00 0.00 C ATOM 1335 C SER A 86 -10.902 -0.808 4.915 1.00 0.00 C ATOM 1336 O SER A 86 -11.371 -1.733 4.253 1.00 0.00 O ATOM 1337 CB SER A 86 -8.981 0.440 3.928 1.00 0.00 C ATOM 1338 OG SER A 86 -9.185 -0.080 2.626 1.00 0.00 O ATOM 0 H SER A 86 -8.965 -2.427 4.120 1.00 0.00 H new ATOM 0 HA SER A 86 -9.176 -0.166 5.983 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.553 1.360 4.049 1.00 0.00 H new ATOM 0 HB3 SER A 86 -7.930 0.698 4.059 1.00 0.00 H new ATOM 0 HG SER A 86 -8.326 -0.364 2.249 1.00 0.00 H new ATOM 1344 N GLN A 87 -11.638 0.051 5.606 1.00 0.00 N ATOM 1345 CA GLN A 87 -13.091 -0.027 5.638 1.00 0.00 C ATOM 1346 C GLN A 87 -13.706 1.216 4.993 1.00 0.00 C ATOM 1347 O GLN A 87 -13.306 2.341 5.289 1.00 0.00 O ATOM 1348 CB GLN A 87 -13.573 -0.191 7.086 1.00 0.00 C ATOM 1349 CG GLN A 87 -15.038 0.157 7.306 1.00 0.00 C ATOM 1350 CD GLN A 87 -15.285 1.653 7.306 1.00 0.00 C ATOM 1351 OE1 GLN A 87 -16.372 2.115 6.966 1.00 0.00 O ATOM 1352 NE2 GLN A 87 -14.265 2.418 7.679 1.00 0.00 N ATOM 0 H GLN A 87 -11.248 0.816 6.156 1.00 0.00 H new ATOM 0 HA GLN A 87 -13.414 -0.897 5.066 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -13.407 -1.223 7.396 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.962 0.439 7.733 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -15.640 -0.307 6.525 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -15.369 -0.263 8.256 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -13.380 1.990 7.953 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.366 3.433 7.691 1.00 0.00 H new ATOM 1361 N ILE A 88 -14.669 1.003 4.098 1.00 0.00 N ATOM 1362 CA ILE A 88 -15.339 2.107 3.418 1.00 0.00 C ATOM 1363 C ILE A 88 -16.847 2.053 3.641 1.00 0.00 C ATOM 1364 O ILE A 88 -17.552 1.244 3.039 1.00 0.00 O ATOM 1365 CB ILE A 88 -15.041 2.114 1.905 1.00 0.00 C ATOM 1366 CG1 ILE A 88 -15.318 0.742 1.290 1.00 0.00 C ATOM 1367 CG2 ILE A 88 -13.599 2.530 1.660 1.00 0.00 C ATOM 1368 CD1 ILE A 88 -15.321 0.745 -0.224 1.00 0.00 C ATOM 0 H ILE A 88 -15.001 0.077 3.828 1.00 0.00 H new ATOM 0 HA ILE A 88 -14.946 3.027 3.849 1.00 0.00 H new ATOM 0 HB ILE A 88 -15.701 2.837 1.425 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -14.565 0.037 1.642 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -16.283 0.382 1.646 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -13.398 2.532 0.589 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -13.436 3.530 2.062 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -12.928 1.827 2.154 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -15.524 -0.262 -0.589 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -16.093 1.425 -0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -14.348 1.074 -0.589 1.00 0.00 H new ATOM 1380 N GLU A 89 -17.333 2.920 4.524 1.00 0.00 N ATOM 1381 CA GLU A 89 -18.752 2.976 4.838 1.00 0.00 C ATOM 1382 C GLU A 89 -19.557 3.490 3.651 1.00 0.00 C ATOM 1383 O GLU A 89 -19.040 4.219 2.806 1.00 0.00 O ATOM 1384 CB GLU A 89 -18.987 3.874 6.055 1.00 0.00 C ATOM 1385 CG GLU A 89 -19.169 3.108 7.355 1.00 0.00 C ATOM 1386 CD GLU A 89 -19.341 4.022 8.553 1.00 0.00 C ATOM 1387 OE1 GLU A 89 -18.317 4.415 9.152 1.00 0.00 O ATOM 1388 OE2 GLU A 89 -20.498 4.346 8.892 1.00 0.00 O ATOM 0 H GLU A 89 -16.762 3.594 5.034 1.00 0.00 H new ATOM 0 HA GLU A 89 -19.088 1.964 5.066 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -18.143 4.556 6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -19.871 4.486 5.878 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -20.040 2.459 7.270 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -18.305 2.463 7.516 1.00 0.00 H new ATOM 1395 N PHE A 90 -20.824 3.099 3.593 1.00 0.00 N ATOM 1396 CA PHE A 90 -21.708 3.525 2.517 1.00 0.00 C ATOM 1397 C PHE A 90 -22.835 4.388 3.075 1.00 0.00 C ATOM 1398 O PHE A 90 -22.911 4.608 4.284 1.00 0.00 O ATOM 1399 CB PHE A 90 -22.273 2.310 1.784 1.00 0.00 C ATOM 1400 CG PHE A 90 -21.218 1.327 1.355 1.00 0.00 C ATOM 1401 CD1 PHE A 90 -20.565 1.470 0.136 1.00 0.00 C ATOM 1402 CD2 PHE A 90 -20.881 0.256 2.169 1.00 0.00 C ATOM 1403 CE1 PHE A 90 -19.601 0.565 -0.258 1.00 0.00 C ATOM 1404 CE2 PHE A 90 -19.916 -0.653 1.776 1.00 0.00 C ATOM 1405 CZ PHE A 90 -19.276 -0.499 0.562 1.00 0.00 C ATOM 0 H PHE A 90 -21.263 2.486 4.280 1.00 0.00 H new ATOM 0 HA PHE A 90 -21.136 4.120 1.805 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -22.988 1.804 2.432 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -22.823 2.648 0.906 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -20.815 2.299 -0.510 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -21.377 0.131 3.120 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -19.100 0.688 -1.207 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -19.663 -1.483 2.418 1.00 0.00 H new ATOM 0 HZ PHE A 90 -18.523 -1.209 0.254 1.00 0.00 H new ATOM 1415 N SER A 91 -23.714 4.871 2.200 1.00 0.00 N ATOM 1416 CA SER A 91 -24.811 5.725 2.656 1.00 0.00 C ATOM 1417 C SER A 91 -25.947 5.819 1.644 1.00 0.00 C ATOM 1418 O SER A 91 -25.785 6.371 0.561 1.00 0.00 O ATOM 1419 CB SER A 91 -24.296 7.130 2.969 1.00 0.00 C ATOM 1420 OG SER A 91 -23.388 7.116 4.056 1.00 0.00 O ATOM 0 H SER A 91 -23.692 4.693 1.196 1.00 0.00 H new ATOM 0 HA SER A 91 -25.210 5.261 3.558 1.00 0.00 H new ATOM 0 HB2 SER A 91 -23.805 7.544 2.088 1.00 0.00 H new ATOM 0 HB3 SER A 91 -25.136 7.784 3.203 1.00 0.00 H new ATOM 0 HG SER A 91 -23.415 6.240 4.494 1.00 0.00 H new ATOM 1426 N CYS A 92 -27.103 5.292 2.029 1.00 0.00 N ATOM 1427 CA CYS A 92 -28.270 5.351 1.157 1.00 0.00 C ATOM 1428 C CYS A 92 -28.993 6.678 1.373 1.00 0.00 C ATOM 1429 O CYS A 92 -29.462 6.966 2.475 1.00 0.00 O ATOM 1430 CB CYS A 92 -29.214 4.168 1.406 1.00 0.00 C ATOM 1431 SG CYS A 92 -28.555 2.557 0.861 1.00 0.00 S ATOM 0 H CYS A 92 -27.257 4.827 2.923 1.00 0.00 H new ATOM 0 HA CYS A 92 -27.938 5.285 0.121 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -29.438 4.115 2.471 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -30.156 4.355 0.891 1.00 0.00 H new ATOM 1436 N SER A 93 -29.063 7.485 0.316 1.00 0.00 N ATOM 1437 CA SER A 93 -29.701 8.803 0.386 1.00 0.00 C ATOM 1438 C SER A 93 -31.045 8.763 1.104 1.00 0.00 C ATOM 1439 O SER A 93 -31.625 7.698 1.311 1.00 0.00 O ATOM 1440 CB SER A 93 -29.899 9.375 -1.017 1.00 0.00 C ATOM 1441 OG SER A 93 -28.667 9.792 -1.579 1.00 0.00 O ATOM 0 H SER A 93 -28.686 7.251 -0.602 1.00 0.00 H new ATOM 0 HA SER A 93 -29.032 9.443 0.961 1.00 0.00 H new ATOM 0 HB2 SER A 93 -30.358 8.622 -1.658 1.00 0.00 H new ATOM 0 HB3 SER A 93 -30.587 10.220 -0.975 1.00 0.00 H new ATOM 0 HG SER A 93 -28.822 10.152 -2.477 1.00 0.00 H new ATOM 1447 N GLU A 94 -31.528 9.949 1.474 1.00 0.00 N ATOM 1448 CA GLU A 94 -32.811 10.092 2.155 1.00 0.00 C ATOM 1449 C GLU A 94 -33.864 9.194 1.515 1.00 0.00 C ATOM 1450 O GLU A 94 -33.796 8.882 0.326 1.00 0.00 O ATOM 1451 CB GLU A 94 -33.257 11.556 2.106 1.00 0.00 C ATOM 1452 CG GLU A 94 -34.727 11.762 2.425 1.00 0.00 C ATOM 1453 CD GLU A 94 -35.109 13.227 2.496 1.00 0.00 C ATOM 1454 OE1 GLU A 94 -35.453 13.803 1.442 1.00 0.00 O ATOM 1455 OE2 GLU A 94 -35.062 13.800 3.605 1.00 0.00 O ATOM 0 H GLU A 94 -31.043 10.831 1.311 1.00 0.00 H new ATOM 0 HA GLU A 94 -32.695 9.787 3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -32.658 12.132 2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -33.051 11.955 1.113 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -35.332 11.269 1.664 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -34.959 11.283 3.376 1.00 0.00 H new ATOM 1462 N GLY A 95 -34.847 8.790 2.317 1.00 0.00 N ATOM 1463 CA GLY A 95 -35.906 7.927 1.830 1.00 0.00 C ATOM 1464 C GLY A 95 -35.438 6.504 1.594 1.00 0.00 C ATOM 1465 O GLY A 95 -36.209 5.563 1.760 1.00 0.00 O ATOM 0 H GLY A 95 -34.927 9.048 3.301 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -36.725 7.921 2.550 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -36.302 8.334 0.900 1.00 0.00 H new ATOM 1469 N PHE A 96 -34.176 6.339 1.211 1.00 0.00 N ATOM 1470 CA PHE A 96 -33.634 5.015 0.935 1.00 0.00 C ATOM 1471 C PHE A 96 -32.646 4.620 2.028 1.00 0.00 C ATOM 1472 O PHE A 96 -31.763 5.397 2.387 1.00 0.00 O ATOM 1473 CB PHE A 96 -32.932 4.993 -0.427 1.00 0.00 C ATOM 1474 CG PHE A 96 -33.840 5.287 -1.592 1.00 0.00 C ATOM 1475 CD1 PHE A 96 -34.473 6.515 -1.704 1.00 0.00 C ATOM 1476 CD2 PHE A 96 -34.056 4.335 -2.576 1.00 0.00 C ATOM 1477 CE1 PHE A 96 -35.304 6.787 -2.775 1.00 0.00 C ATOM 1478 CE2 PHE A 96 -34.885 4.602 -3.649 1.00 0.00 C ATOM 1479 CZ PHE A 96 -35.511 5.829 -3.748 1.00 0.00 C ATOM 0 H PHE A 96 -33.512 7.103 1.085 1.00 0.00 H new ATOM 0 HA PHE A 96 -34.458 4.302 0.916 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -32.122 5.723 -0.418 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -32.477 4.013 -0.573 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -34.315 7.268 -0.946 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -33.571 3.373 -2.503 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -35.791 7.748 -2.851 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -35.043 3.852 -4.410 1.00 0.00 H new ATOM 0 HZ PHE A 96 -36.161 6.039 -4.585 1.00 0.00 H new ATOM 1489 N PHE A 97 -32.800 3.413 2.564 1.00 0.00 N ATOM 1490 CA PHE A 97 -31.912 2.937 3.617 1.00 0.00 C ATOM 1491 C PHE A 97 -30.910 1.929 3.074 1.00 0.00 C ATOM 1492 O PHE A 97 -31.038 1.430 1.955 1.00 0.00 O ATOM 1493 CB PHE A 97 -32.718 2.346 4.780 1.00 0.00 C ATOM 1494 CG PHE A 97 -33.319 0.996 4.509 1.00 0.00 C ATOM 1495 CD1 PHE A 97 -34.290 0.833 3.535 1.00 0.00 C ATOM 1496 CD2 PHE A 97 -32.923 -0.109 5.246 1.00 0.00 C ATOM 1497 CE1 PHE A 97 -34.855 -0.407 3.300 1.00 0.00 C ATOM 1498 CE2 PHE A 97 -33.482 -1.351 5.015 1.00 0.00 C ATOM 1499 CZ PHE A 97 -34.450 -1.500 4.041 1.00 0.00 C ATOM 0 H PHE A 97 -33.526 2.752 2.289 1.00 0.00 H new ATOM 0 HA PHE A 97 -31.349 3.790 3.996 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -32.069 2.270 5.652 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -33.519 3.039 5.038 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -34.610 1.684 2.952 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -32.168 0.002 6.010 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -35.612 -0.521 2.538 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -33.163 -2.204 5.595 1.00 0.00 H new ATOM 0 HZ PHE A 97 -34.890 -2.470 3.859 1.00 0.00 H new ATOM 1509 N LEU A 98 -29.916 1.639 3.903 1.00 0.00 N ATOM 1510 CA LEU A 98 -28.859 0.712 3.527 1.00 0.00 C ATOM 1511 C LEU A 98 -29.227 -0.725 3.864 1.00 0.00 C ATOM 1512 O LEU A 98 -29.847 -1.001 4.890 1.00 0.00 O ATOM 1513 CB LEU A 98 -27.553 1.088 4.217 1.00 0.00 C ATOM 1514 CG LEU A 98 -26.325 0.329 3.714 1.00 0.00 C ATOM 1515 CD1 LEU A 98 -25.085 1.195 3.837 1.00 0.00 C ATOM 1516 CD2 LEU A 98 -26.154 -0.973 4.478 1.00 0.00 C ATOM 0 H LEU A 98 -29.820 2.032 4.839 1.00 0.00 H new ATOM 0 HA LEU A 98 -28.730 0.783 2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -27.382 2.156 4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -27.659 0.912 5.287 1.00 0.00 H new ATOM 0 HG LEU A 98 -26.471 0.087 2.661 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -24.218 0.642 3.475 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -25.213 2.100 3.242 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -24.933 1.466 4.882 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -25.275 -1.500 4.107 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -26.027 -0.758 5.539 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -27.037 -1.596 4.337 1.00 0.00 H new ATOM 1528 N ILE A 99 -28.830 -1.634 2.980 1.00 0.00 N ATOM 1529 CA ILE A 99 -29.076 -3.064 3.136 1.00 0.00 C ATOM 1530 C ILE A 99 -28.064 -3.838 2.314 1.00 0.00 C ATOM 1531 O ILE A 99 -28.196 -4.001 1.101 1.00 0.00 O ATOM 1532 CB ILE A 99 -30.481 -3.462 2.639 1.00 0.00 C ATOM 1533 CG1 ILE A 99 -31.346 -2.220 2.446 1.00 0.00 C ATOM 1534 CG2 ILE A 99 -31.136 -4.432 3.608 1.00 0.00 C ATOM 1535 CD1 ILE A 99 -32.545 -2.438 1.552 1.00 0.00 C ATOM 0 H ILE A 99 -28.324 -1.397 2.127 1.00 0.00 H new ATOM 0 HA ILE A 99 -28.994 -3.295 4.198 1.00 0.00 H new ATOM 0 HB ILE A 99 -30.380 -3.963 1.676 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -31.691 -1.875 3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -30.732 -1.424 2.025 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -32.126 -4.701 3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -30.524 -5.330 3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -31.228 -3.962 4.587 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -33.108 -1.509 1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -32.210 -2.752 0.564 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -33.183 -3.210 1.981 1.00 0.00 H new ATOM 1547 N GLY A 100 -27.047 -4.310 3.022 1.00 0.00 N ATOM 1548 CA GLY A 100 -25.967 -5.061 2.416 1.00 0.00 C ATOM 1549 C GLY A 100 -24.822 -5.256 3.386 1.00 0.00 C ATOM 1550 O GLY A 100 -24.481 -6.379 3.754 1.00 0.00 O ATOM 0 H GLY A 100 -26.952 -4.181 4.029 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -26.337 -6.032 2.086 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -25.610 -4.538 1.529 1.00 0.00 H new ATOM 1554 N SER A 101 -24.247 -4.132 3.796 1.00 0.00 N ATOM 1555 CA SER A 101 -23.129 -4.093 4.731 1.00 0.00 C ATOM 1556 C SER A 101 -22.575 -2.678 4.752 1.00 0.00 C ATOM 1557 O SER A 101 -21.883 -2.267 3.819 1.00 0.00 O ATOM 1558 CB SER A 101 -22.031 -5.079 4.324 1.00 0.00 C ATOM 1559 OG SER A 101 -20.955 -5.054 5.246 1.00 0.00 O ATOM 0 H SER A 101 -24.548 -3.209 3.484 1.00 0.00 H new ATOM 0 HA SER A 101 -23.478 -4.382 5.722 1.00 0.00 H new ATOM 0 HB2 SER A 101 -22.444 -6.086 4.270 1.00 0.00 H new ATOM 0 HB3 SER A 101 -21.666 -4.830 3.328 1.00 0.00 H new ATOM 0 HG SER A 101 -20.257 -4.450 4.918 1.00 0.00 H new ATOM 1565 N THR A 102 -22.875 -1.925 5.806 1.00 0.00 N ATOM 1566 CA THR A 102 -22.429 -0.544 5.894 1.00 0.00 C ATOM 1567 C THR A 102 -20.915 -0.448 5.896 1.00 0.00 C ATOM 1568 O THR A 102 -20.358 0.645 5.819 1.00 0.00 O ATOM 1569 CB THR A 102 -22.975 0.157 7.152 1.00 0.00 C ATOM 1570 OG1 THR A 102 -22.488 -0.498 8.329 1.00 0.00 O ATOM 1571 CG2 THR A 102 -24.496 0.156 7.162 1.00 0.00 C ATOM 0 H THR A 102 -23.421 -2.248 6.605 1.00 0.00 H new ATOM 0 HA THR A 102 -22.822 -0.041 5.010 1.00 0.00 H new ATOM 0 HB THR A 102 -22.629 1.191 7.139 1.00 0.00 H new ATOM 0 HG1 THR A 102 -22.838 -0.045 9.124 1.00 0.00 H new ATOM 0 HG21 THR A 102 -24.854 0.657 8.061 1.00 0.00 H new ATOM 0 HG22 THR A 102 -24.866 0.682 6.282 1.00 0.00 H new ATOM 0 HG23 THR A 102 -24.859 -0.872 7.150 1.00 0.00 H new ATOM 1579 N THR A 103 -20.251 -1.586 5.990 1.00 0.00 N ATOM 1580 CA THR A 103 -18.808 -1.606 5.983 1.00 0.00 C ATOM 1581 C THR A 103 -18.308 -2.437 4.819 1.00 0.00 C ATOM 1582 O THR A 103 -19.024 -3.294 4.300 1.00 0.00 O ATOM 1583 CB THR A 103 -18.247 -2.155 7.295 1.00 0.00 C ATOM 1584 OG1 THR A 103 -18.722 -3.488 7.520 1.00 0.00 O ATOM 1585 CG2 THR A 103 -18.640 -1.260 8.457 1.00 0.00 C ATOM 0 H THR A 103 -20.690 -2.503 6.072 1.00 0.00 H new ATOM 0 HA THR A 103 -18.460 -0.579 5.874 1.00 0.00 H new ATOM 0 HB THR A 103 -17.160 -2.176 7.222 1.00 0.00 H new ATOM 0 HG1 THR A 103 -18.354 -3.829 8.362 1.00 0.00 H new ATOM 0 HG21 THR A 103 -18.232 -1.666 9.383 1.00 0.00 H new ATOM 0 HG22 THR A 103 -18.244 -0.258 8.295 1.00 0.00 H new ATOM 0 HG23 THR A 103 -19.727 -1.213 8.529 1.00 0.00 H new ATOM 1593 N SER A 104 -17.079 -2.183 4.407 1.00 0.00 N ATOM 1594 CA SER A 104 -16.465 -2.930 3.329 1.00 0.00 C ATOM 1595 C SER A 104 -14.978 -3.059 3.616 1.00 0.00 C ATOM 1596 O SER A 104 -14.250 -2.067 3.611 1.00 0.00 O ATOM 1597 CB SER A 104 -16.695 -2.231 1.990 1.00 0.00 C ATOM 1598 OG SER A 104 -16.513 -3.125 0.909 1.00 0.00 O ATOM 0 H SER A 104 -16.484 -1.458 4.808 1.00 0.00 H new ATOM 0 HA SER A 104 -16.915 -3.921 3.266 1.00 0.00 H new ATOM 0 HB2 SER A 104 -17.704 -1.820 1.960 1.00 0.00 H new ATOM 0 HB3 SER A 104 -16.006 -1.392 1.892 1.00 0.00 H new ATOM 0 HG SER A 104 -15.623 -2.992 0.521 1.00 0.00 H new ATOM 1604 N ARG A 105 -14.528 -4.281 3.861 1.00 0.00 N ATOM 1605 CA ARG A 105 -13.127 -4.540 4.181 1.00 0.00 C ATOM 1606 C ARG A 105 -12.360 -5.061 2.974 1.00 0.00 C ATOM 1607 O ARG A 105 -12.917 -5.735 2.109 1.00 0.00 O ATOM 1608 CB ARG A 105 -13.029 -5.543 5.331 1.00 0.00 C ATOM 1609 CG ARG A 105 -13.775 -5.105 6.581 1.00 0.00 C ATOM 1610 CD ARG A 105 -13.584 -6.093 7.719 1.00 0.00 C ATOM 1611 NE ARG A 105 -14.087 -7.421 7.379 1.00 0.00 N ATOM 1612 CZ ARG A 105 -14.080 -8.451 8.219 1.00 0.00 C ATOM 1613 NH1 ARG A 105 -13.593 -8.309 9.444 1.00 0.00 N ATOM 1614 NH2 ARG A 105 -14.560 -9.626 7.833 1.00 0.00 N ATOM 0 H ARG A 105 -15.115 -5.115 3.845 1.00 0.00 H new ATOM 0 HA ARG A 105 -12.676 -3.594 4.481 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -13.423 -6.504 5.000 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -11.979 -5.698 5.579 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -13.423 -4.121 6.890 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -14.837 -5.008 6.357 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.525 -6.159 7.968 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -14.098 -5.727 8.608 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.465 -7.567 6.443 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -13.222 -7.407 9.744 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.589 -9.101 10.086 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.935 -9.739 6.891 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.554 -10.416 8.478 1.00 0.00 H new ATOM 1628 N CYS A 106 -11.070 -4.753 2.943 1.00 0.00 N ATOM 1629 CA CYS A 106 -10.200 -5.171 1.856 1.00 0.00 C ATOM 1630 C CYS A 106 -9.373 -6.377 2.266 1.00 0.00 C ATOM 1631 O CYS A 106 -8.563 -6.303 3.191 1.00 0.00 O ATOM 1632 CB CYS A 106 -9.274 -4.025 1.447 1.00 0.00 C ATOM 1633 SG CYS A 106 -9.847 -3.089 -0.005 1.00 0.00 S ATOM 0 H CYS A 106 -10.601 -4.209 3.667 1.00 0.00 H new ATOM 0 HA CYS A 106 -10.825 -5.446 1.006 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -9.167 -3.340 2.288 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -8.284 -4.429 1.238 1.00 0.00 H new ATOM 1638 N GLU A 107 -9.579 -7.487 1.574 1.00 0.00 N ATOM 1639 CA GLU A 107 -8.874 -8.714 1.881 1.00 0.00 C ATOM 1640 C GLU A 107 -8.037 -9.148 0.688 1.00 0.00 C ATOM 1641 O GLU A 107 -8.070 -8.509 -0.361 1.00 0.00 O ATOM 1642 CB GLU A 107 -9.875 -9.801 2.271 1.00 0.00 C ATOM 1643 CG GLU A 107 -9.272 -10.927 3.096 1.00 0.00 C ATOM 1644 CD GLU A 107 -8.783 -10.457 4.452 1.00 0.00 C ATOM 1645 OE1 GLU A 107 -9.604 -10.396 5.391 1.00 0.00 O ATOM 1646 OE2 GLU A 107 -7.578 -10.152 4.576 1.00 0.00 O ATOM 0 H GLU A 107 -10.232 -7.559 0.794 1.00 0.00 H new ATOM 0 HA GLU A 107 -8.203 -8.544 2.723 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -10.689 -9.346 2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -10.311 -10.221 1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -10.017 -11.711 3.234 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.441 -11.370 2.547 1.00 0.00 H new ATOM 1653 N VAL A 108 -7.283 -10.226 0.849 1.00 0.00 N ATOM 1654 CA VAL A 108 -6.438 -10.699 -0.236 1.00 0.00 C ATOM 1655 C VAL A 108 -6.429 -12.212 -0.396 1.00 0.00 C ATOM 1656 O VAL A 108 -6.267 -12.966 0.563 1.00 0.00 O ATOM 1657 CB VAL A 108 -4.990 -10.199 -0.071 1.00 0.00 C ATOM 1658 CG1 VAL A 108 -4.026 -11.026 -0.911 1.00 0.00 C ATOM 1659 CG2 VAL A 108 -4.904 -8.735 -0.450 1.00 0.00 C ATOM 0 H VAL A 108 -7.239 -10.780 1.704 1.00 0.00 H new ATOM 0 HA VAL A 108 -6.879 -10.282 -1.141 1.00 0.00 H new ATOM 0 HB VAL A 108 -4.703 -10.313 0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -3.012 -10.651 -0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -4.073 -12.069 -0.597 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -4.303 -10.951 -1.963 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -3.878 -8.388 -0.331 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -5.211 -8.609 -1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -5.561 -8.153 0.196 1.00 0.00 H new ATOM 1669 N GLN A 109 -6.604 -12.626 -1.645 1.00 0.00 N ATOM 1670 CA GLN A 109 -6.595 -14.036 -1.995 1.00 0.00 C ATOM 1671 C GLN A 109 -5.284 -14.391 -2.693 1.00 0.00 C ATOM 1672 O GLN A 109 -5.123 -14.145 -3.889 1.00 0.00 O ATOM 1673 CB GLN A 109 -7.784 -14.371 -2.905 1.00 0.00 C ATOM 1674 CG GLN A 109 -9.020 -13.504 -2.674 1.00 0.00 C ATOM 1675 CD GLN A 109 -9.676 -13.732 -1.323 1.00 0.00 C ATOM 1676 OE1 GLN A 109 -9.505 -14.786 -0.708 1.00 0.00 O ATOM 1677 NE2 GLN A 109 -10.460 -12.754 -0.867 1.00 0.00 N ATOM 0 H GLN A 109 -6.755 -11.999 -2.435 1.00 0.00 H new ATOM 0 HA GLN A 109 -6.682 -14.623 -1.081 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -7.471 -14.267 -3.944 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -8.056 -15.416 -2.757 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -8.739 -12.454 -2.760 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -9.747 -13.705 -3.461 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -10.574 -11.897 -1.409 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -10.946 -12.863 0.023 1.00 0.00 H new ATOM 1686 N ASP A 110 -4.350 -14.966 -1.936 1.00 0.00 N ATOM 1687 CA ASP A 110 -3.045 -15.347 -2.467 1.00 0.00 C ATOM 1688 C ASP A 110 -2.241 -14.116 -2.880 1.00 0.00 C ATOM 1689 O ASP A 110 -1.545 -13.515 -2.060 1.00 0.00 O ATOM 1690 CB ASP A 110 -3.213 -16.300 -3.649 1.00 0.00 C ATOM 1691 CG ASP A 110 -1.890 -16.695 -4.274 1.00 0.00 C ATOM 1692 OD1 ASP A 110 -1.222 -17.599 -3.730 1.00 0.00 O ATOM 1693 OD2 ASP A 110 -1.522 -16.102 -5.309 1.00 0.00 O ATOM 0 H ASP A 110 -4.476 -15.179 -0.946 1.00 0.00 H new ATOM 0 HA ASP A 110 -2.492 -15.860 -1.680 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -3.735 -17.197 -3.316 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -3.841 -15.828 -4.405 1.00 0.00 H new ATOM 1698 N ARG A 111 -2.342 -13.745 -4.151 1.00 0.00 N ATOM 1699 CA ARG A 111 -1.630 -12.583 -4.671 1.00 0.00 C ATOM 1700 C ARG A 111 -2.581 -11.647 -5.405 1.00 0.00 C ATOM 1701 O ARG A 111 -2.160 -10.660 -6.009 1.00 0.00 O ATOM 1702 CB ARG A 111 -0.492 -13.014 -5.600 1.00 0.00 C ATOM 1703 CG ARG A 111 -0.966 -13.612 -6.915 1.00 0.00 C ATOM 1704 CD ARG A 111 0.203 -13.953 -7.824 1.00 0.00 C ATOM 1705 NE ARG A 111 1.078 -14.963 -7.238 1.00 0.00 N ATOM 1706 CZ ARG A 111 2.292 -15.247 -7.703 1.00 0.00 C ATOM 1707 NH1 ARG A 111 2.771 -14.597 -8.755 1.00 0.00 N ATOM 1708 NH2 ARG A 111 3.026 -16.185 -7.118 1.00 0.00 N ATOM 0 H ARG A 111 -2.911 -14.233 -4.842 1.00 0.00 H new ATOM 0 HA ARG A 111 -1.203 -12.047 -3.824 1.00 0.00 H new ATOM 0 HB2 ARG A 111 0.139 -12.151 -5.811 1.00 0.00 H new ATOM 0 HB3 ARG A 111 0.130 -13.745 -5.083 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -1.550 -14.511 -6.718 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -1.627 -12.907 -7.419 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -0.175 -14.313 -8.781 1.00 0.00 H new ATOM 0 HD3 ARG A 111 0.778 -13.050 -8.028 1.00 0.00 H new ATOM 0 HE ARG A 111 0.740 -15.480 -6.426 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.209 -13.878 -9.209 1.00 0.00 H new ATOM 0 HH12 ARG A 111 3.702 -14.816 -9.110 1.00 0.00 H new ATOM 0 HH21 ARG A 111 2.660 -16.690 -6.311 1.00 0.00 H new ATOM 0 HH22 ARG A 111 3.956 -16.402 -7.476 1.00 0.00 H new ATOM 1722 N GLY A 112 -3.865 -11.970 -5.347 1.00 0.00 N ATOM 1723 CA GLY A 112 -4.871 -11.153 -5.990 1.00 0.00 C ATOM 1724 C GLY A 112 -5.872 -10.634 -4.987 1.00 0.00 C ATOM 1725 O GLY A 112 -6.753 -11.373 -4.543 1.00 0.00 O ATOM 0 H GLY A 112 -4.229 -12.790 -4.862 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -4.393 -10.315 -6.498 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -5.385 -11.737 -6.753 1.00 0.00 H new ATOM 1729 N VAL A 113 -5.731 -9.368 -4.622 1.00 0.00 N ATOM 1730 CA VAL A 113 -6.619 -8.753 -3.644 1.00 0.00 C ATOM 1731 C VAL A 113 -8.061 -9.072 -3.957 1.00 0.00 C ATOM 1732 O VAL A 113 -8.467 -9.092 -5.120 1.00 0.00 O ATOM 1733 CB VAL A 113 -6.471 -7.228 -3.598 1.00 0.00 C ATOM 1734 CG1 VAL A 113 -6.723 -6.694 -2.200 1.00 0.00 C ATOM 1735 CG2 VAL A 113 -5.106 -6.818 -4.102 1.00 0.00 C ATOM 0 H VAL A 113 -5.010 -8.746 -4.988 1.00 0.00 H new ATOM 0 HA VAL A 113 -6.335 -9.165 -2.676 1.00 0.00 H new ATOM 0 HB VAL A 113 -7.224 -6.791 -4.254 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -6.611 -5.610 -2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -7.734 -6.954 -1.888 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.005 -7.134 -1.508 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.015 -5.732 -4.064 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -4.336 -7.269 -3.476 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.981 -7.156 -5.131 1.00 0.00 H new ATOM 1745 N GLY A 114 -8.831 -9.321 -2.923 1.00 0.00 N ATOM 1746 CA GLY A 114 -10.216 -9.628 -3.144 1.00 0.00 C ATOM 1747 C GLY A 114 -11.117 -8.617 -2.476 1.00 0.00 C ATOM 1748 O GLY A 114 -10.841 -8.185 -1.356 1.00 0.00 O ATOM 0 H GLY A 114 -8.529 -9.317 -1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -10.420 -9.648 -4.215 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -10.436 -10.624 -2.759 1.00 0.00 H new ATOM 1752 N TRP A 115 -12.190 -8.234 -3.144 1.00 0.00 N ATOM 1753 CA TRP A 115 -13.137 -7.284 -2.588 1.00 0.00 C ATOM 1754 C TRP A 115 -14.260 -8.038 -1.893 1.00 0.00 C ATOM 1755 O TRP A 115 -15.141 -8.594 -2.549 1.00 0.00 O ATOM 1756 CB TRP A 115 -13.714 -6.377 -3.678 1.00 0.00 C ATOM 1757 CG TRP A 115 -13.582 -4.906 -3.390 1.00 0.00 C ATOM 1758 CD1 TRP A 115 -13.392 -3.915 -4.309 1.00 0.00 C ATOM 1759 CD2 TRP A 115 -13.630 -4.255 -2.109 1.00 0.00 C ATOM 1760 NE1 TRP A 115 -13.321 -2.693 -3.683 1.00 0.00 N ATOM 1761 CE2 TRP A 115 -13.462 -2.875 -2.336 1.00 0.00 C ATOM 1762 CE3 TRP A 115 -13.796 -4.700 -0.793 1.00 0.00 C ATOM 1763 CZ2 TRP A 115 -13.457 -1.942 -1.304 1.00 0.00 C ATOM 1764 CZ3 TRP A 115 -13.791 -3.770 0.230 1.00 0.00 C ATOM 1765 CH2 TRP A 115 -13.622 -2.405 -0.031 1.00 0.00 C ATOM 0 H TRP A 115 -12.428 -8.568 -4.078 1.00 0.00 H new ATOM 0 HA TRP A 115 -12.614 -6.655 -1.868 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -13.214 -6.598 -4.621 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -14.769 -6.616 -3.813 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -13.309 -4.069 -5.375 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -13.185 -1.796 -4.149 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -13.926 -5.751 -0.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -13.327 -0.889 -1.503 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -13.920 -4.103 1.249 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.622 -1.705 0.791 1.00 0.00 H new ATOM 1776 N SER A 116 -14.214 -8.067 -0.565 1.00 0.00 N ATOM 1777 CA SER A 116 -15.220 -8.768 0.223 1.00 0.00 C ATOM 1778 C SER A 116 -16.624 -8.533 -0.335 1.00 0.00 C ATOM 1779 O SER A 116 -17.425 -9.463 -0.432 1.00 0.00 O ATOM 1780 CB SER A 116 -15.160 -8.315 1.682 1.00 0.00 C ATOM 1781 OG SER A 116 -15.418 -6.926 1.796 1.00 0.00 O ATOM 0 H SER A 116 -13.488 -7.612 -0.011 1.00 0.00 H new ATOM 0 HA SER A 116 -15.004 -9.835 0.167 1.00 0.00 H new ATOM 0 HB2 SER A 116 -15.889 -8.873 2.270 1.00 0.00 H new ATOM 0 HB3 SER A 116 -14.177 -8.541 2.096 1.00 0.00 H new ATOM 0 HG SER A 116 -14.571 -6.443 1.895 1.00 0.00 H new ATOM 1787 N HIS A 117 -16.911 -7.283 -0.703 1.00 0.00 N ATOM 1788 CA HIS A 117 -18.215 -6.920 -1.254 1.00 0.00 C ATOM 1789 C HIS A 117 -18.274 -5.431 -1.580 1.00 0.00 C ATOM 1790 O HIS A 117 -17.840 -4.601 -0.782 1.00 0.00 O ATOM 1791 CB HIS A 117 -19.327 -7.260 -0.263 1.00 0.00 C ATOM 1792 CG HIS A 117 -20.699 -7.237 -0.864 1.00 0.00 C ATOM 1793 ND1 HIS A 117 -21.344 -8.371 -1.313 1.00 0.00 N ATOM 1794 CD2 HIS A 117 -21.553 -6.209 -1.084 1.00 0.00 C ATOM 1795 CE1 HIS A 117 -22.534 -8.042 -1.783 1.00 0.00 C ATOM 1796 NE2 HIS A 117 -22.685 -6.737 -1.654 1.00 0.00 N ATOM 0 H HIS A 117 -16.256 -6.505 -0.629 1.00 0.00 H new ATOM 0 HA HIS A 117 -18.357 -7.491 -2.172 1.00 0.00 H new ATOM 0 HB2 HIS A 117 -19.140 -8.249 0.154 1.00 0.00 H new ATOM 0 HB3 HIS A 117 -19.291 -6.553 0.566 1.00 0.00 H new ATOM 0 HD2 HIS A 117 -21.377 -5.169 -0.854 1.00 0.00 H new ATOM 0 HE1 HIS A 117 -23.259 -8.724 -2.201 1.00 0.00 H new ATOM 0 HE2 HIS A 117 -23.510 -6.206 -1.933 1.00 0.00 H new ATOM 1805 N PRO A 118 -18.812 -5.069 -2.758 1.00 0.00 N ATOM 1806 CA PRO A 118 -18.930 -3.670 -3.172 1.00 0.00 C ATOM 1807 C PRO A 118 -20.040 -2.941 -2.416 1.00 0.00 C ATOM 1808 O PRO A 118 -20.391 -3.322 -1.299 1.00 0.00 O ATOM 1809 CB PRO A 118 -19.265 -3.753 -4.671 1.00 0.00 C ATOM 1810 CG PRO A 118 -19.105 -5.193 -5.045 1.00 0.00 C ATOM 1811 CD PRO A 118 -19.330 -5.976 -3.786 1.00 0.00 C ATOM 0 HA PRO A 118 -18.019 -3.108 -2.964 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -20.281 -3.409 -4.864 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -18.598 -3.120 -5.256 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -19.822 -5.478 -5.815 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -18.111 -5.383 -5.450 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -20.385 -6.205 -3.632 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -18.796 -6.926 -3.797 1.00 0.00 H new ATOM 1819 N LEU A 119 -20.586 -1.888 -3.024 1.00 0.00 N ATOM 1820 CA LEU A 119 -21.653 -1.118 -2.401 1.00 0.00 C ATOM 1821 C LEU A 119 -22.855 -2.006 -2.076 1.00 0.00 C ATOM 1822 O LEU A 119 -23.013 -3.083 -2.650 1.00 0.00 O ATOM 1823 CB LEU A 119 -22.080 0.057 -3.293 1.00 0.00 C ATOM 1824 CG LEU A 119 -21.825 -0.076 -4.801 1.00 0.00 C ATOM 1825 CD1 LEU A 119 -20.369 0.202 -5.131 1.00 0.00 C ATOM 1826 CD2 LEU A 119 -22.245 -1.443 -5.321 1.00 0.00 C ATOM 0 H LEU A 119 -20.305 -1.552 -3.945 1.00 0.00 H new ATOM 0 HA LEU A 119 -21.264 -0.714 -1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -23.147 0.223 -3.145 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -21.566 0.952 -2.941 1.00 0.00 H new ATOM 0 HG LEU A 119 -22.439 0.671 -5.304 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -20.214 0.101 -6.205 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -20.113 1.215 -4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -19.734 -0.511 -4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -22.050 -1.501 -6.392 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -21.677 -2.218 -4.806 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -23.309 -1.591 -5.138 1.00 0.00 H new ATOM 1838 N PRO A 120 -23.720 -1.559 -1.144 1.00 0.00 N ATOM 1839 CA PRO A 120 -24.898 -2.313 -0.725 1.00 0.00 C ATOM 1840 C PRO A 120 -26.128 -2.031 -1.584 1.00 0.00 C ATOM 1841 O PRO A 120 -26.019 -1.524 -2.701 1.00 0.00 O ATOM 1842 CB PRO A 120 -25.114 -1.808 0.697 1.00 0.00 C ATOM 1843 CG PRO A 120 -24.668 -0.383 0.663 1.00 0.00 C ATOM 1844 CD PRO A 120 -23.620 -0.276 -0.422 1.00 0.00 C ATOM 0 HA PRO A 120 -24.751 -3.390 -0.812 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -26.160 -1.889 0.992 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -24.535 -2.388 1.416 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -25.508 0.280 0.455 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -24.257 -0.084 1.627 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -23.814 0.569 -1.082 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -22.625 -0.131 -0.002 1.00 0.00 H new ATOM 1852 N GLN A 121 -27.297 -2.369 -1.047 1.00 0.00 N ATOM 1853 CA GLN A 121 -28.558 -2.164 -1.752 1.00 0.00 C ATOM 1854 C GLN A 121 -29.329 -0.987 -1.163 1.00 0.00 C ATOM 1855 O GLN A 121 -29.686 -0.996 0.015 1.00 0.00 O ATOM 1856 CB GLN A 121 -29.416 -3.427 -1.673 1.00 0.00 C ATOM 1857 CG GLN A 121 -30.472 -3.518 -2.765 1.00 0.00 C ATOM 1858 CD GLN A 121 -31.294 -4.789 -2.679 1.00 0.00 C ATOM 1859 OE1 GLN A 121 -30.941 -5.810 -3.268 1.00 0.00 O ATOM 1860 NE2 GLN A 121 -32.399 -4.731 -1.945 1.00 0.00 N ATOM 0 H GLN A 121 -27.397 -2.788 -0.122 1.00 0.00 H new ATOM 0 HA GLN A 121 -28.329 -1.943 -2.795 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -28.767 -4.301 -1.733 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -29.907 -3.462 -0.701 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -31.135 -2.656 -2.696 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -29.986 -3.469 -3.740 1.00 0.00 H new ATOM 0 HE21 GLN A 121 -32.653 -3.863 -1.474 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -32.994 -5.555 -1.852 1.00 0.00 H new ATOM 1869 N CYS A 122 -29.586 0.025 -1.987 1.00 0.00 N ATOM 1870 CA CYS A 122 -30.327 1.191 -1.522 1.00 0.00 C ATOM 1871 C CYS A 122 -31.770 1.146 -2.018 1.00 0.00 C ATOM 1872 O CYS A 122 -32.041 1.328 -3.205 1.00 0.00 O ATOM 1873 CB CYS A 122 -29.646 2.483 -1.974 1.00 0.00 C ATOM 1874 SG CYS A 122 -28.093 2.853 -1.093 1.00 0.00 S ATOM 0 H CYS A 122 -29.297 0.061 -2.965 1.00 0.00 H new ATOM 0 HA CYS A 122 -30.337 1.173 -0.432 1.00 0.00 H new ATOM 0 HB2 CYS A 122 -29.439 2.417 -3.042 1.00 0.00 H new ATOM 0 HB3 CYS A 122 -30.338 3.314 -1.834 1.00 0.00 H new ATOM 1879 N GLU A 123 -32.687 0.897 -1.089 1.00 0.00 N ATOM 1880 CA GLU A 123 -34.108 0.819 -1.411 1.00 0.00 C ATOM 1881 C GLU A 123 -34.894 1.791 -0.541 1.00 0.00 C ATOM 1882 O GLU A 123 -34.578 1.998 0.631 1.00 0.00 O ATOM 1883 CB GLU A 123 -34.626 -0.606 -1.208 1.00 0.00 C ATOM 1884 CG GLU A 123 -36.060 -0.804 -1.673 1.00 0.00 C ATOM 1885 CD GLU A 123 -36.548 -2.224 -1.466 1.00 0.00 C ATOM 1886 OE1 GLU A 123 -37.096 -2.511 -0.381 1.00 0.00 O ATOM 1887 OE2 GLU A 123 -36.383 -3.050 -2.388 1.00 0.00 O ATOM 0 H GLU A 123 -32.471 0.745 -0.104 1.00 0.00 H new ATOM 0 HA GLU A 123 -34.243 1.091 -2.458 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -33.979 -1.299 -1.746 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -34.557 -0.862 -0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -36.712 -0.117 -1.133 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -36.134 -0.549 -2.730 1.00 0.00 H new ATOM 1894 N ILE A 124 -35.924 2.383 -1.138 1.00 0.00 N ATOM 1895 CA ILE A 124 -36.753 3.359 -0.443 1.00 0.00 C ATOM 1896 C ILE A 124 -37.641 2.687 0.599 1.00 0.00 C ATOM 1897 O ILE A 124 -38.077 1.549 0.422 1.00 0.00 O ATOM 1898 CB ILE A 124 -37.631 4.152 -1.435 1.00 0.00 C ATOM 1899 CG1 ILE A 124 -38.456 5.212 -0.699 1.00 0.00 C ATOM 1900 CG2 ILE A 124 -38.538 3.210 -2.212 1.00 0.00 C ATOM 1901 CD1 ILE A 124 -39.198 6.154 -1.623 1.00 0.00 C ATOM 0 H ILE A 124 -36.204 2.203 -2.102 1.00 0.00 H new ATOM 0 HA ILE A 124 -36.079 4.050 0.062 1.00 0.00 H new ATOM 0 HB ILE A 124 -36.977 4.661 -2.142 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -39.175 4.714 -0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -37.795 5.793 -0.056 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -39.150 3.785 -2.907 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -37.930 2.497 -2.769 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -39.184 2.672 -1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -39.760 6.877 -1.031 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -38.484 6.680 -2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -39.885 5.584 -2.248 1.00 0.00 H new ATOM 1913 N LEU A 125 -37.901 3.402 1.687 1.00 0.00 N ATOM 1914 CA LEU A 125 -38.731 2.891 2.768 1.00 0.00 C ATOM 1915 C LEU A 125 -40.194 2.811 2.340 1.00 0.00 C ATOM 1916 O LEU A 125 -40.962 2.003 2.863 1.00 0.00 O ATOM 1917 CB LEU A 125 -38.592 3.790 3.999 1.00 0.00 C ATOM 1918 CG LEU A 125 -37.155 4.017 4.479 1.00 0.00 C ATOM 1919 CD1 LEU A 125 -37.105 5.154 5.488 1.00 0.00 C ATOM 1920 CD2 LEU A 125 -36.580 2.745 5.084 1.00 0.00 C ATOM 0 H LEU A 125 -37.545 4.345 1.843 1.00 0.00 H new ATOM 0 HA LEU A 125 -38.393 1.885 3.017 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -39.041 4.758 3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -39.167 3.353 4.816 1.00 0.00 H new ATOM 0 HG LEU A 125 -36.547 4.290 3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -36.077 5.302 5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -37.472 6.069 5.023 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -37.730 4.907 6.346 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -35.559 2.930 5.418 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -37.190 2.438 5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -36.579 1.954 4.334 1.00 0.00 H new