USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 698 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 31 HIS : no HE2:sc= -0.26 K(o=-1.4,f=-2.3) USER MOD Set 1.2: A 35 HIS : no HE2:sc= -0.924 K(o=-1.4,f=-2.3) USER MOD Set 1.3: A 55 HIS : no HE2:sc= -0.226 K(o=-1.4,f=-5.8!) USER MOD Set 1.4: A 99 MET CE :methyl 162:sc= 0 (180deg=0) USER MOD Set 2.1: A 87 GLN : amide:sc= 0.556 X(o=0.72,f=0.71) USER MOD Set 2.2: A 93 GLN : amide:sc= 0.167 X(o=0.72,f=0.71) USER MOD Set 3.1: A 30 ASN : amide:sc= 0.295 K(o=0.61,f=-0.4) USER MOD Set 3.2: A 33 GLN : amide:sc= 0.193 K(o=0.61,f=-5.3!) USER MOD Set 3.3: A 81 GLN :FLIP amide:sc= 0.122 F(o=-0.12,f=0.61) USER MOD Set 4.1: A 61 ASN :FLIP amide:sc= -0.0082 F(o=-2.3,f=-1.5) USER MOD Set 4.2: A 64 GLN : amide:sc= -1.51! C(o=-1.5!,f=-4.4!) USER MOD Set 5.1: A 37 THR OG1 : rot 130:sc= -0.0147 USER MOD Set 5.2: A 85 GLN : amide:sc= -0.438 X(o=-0.45,f=-0.21!) USER MOD Set 6.1: A 28 GLN : amide:sc= -0.593 K(o=-1.2,f=-4.6!) USER MOD Set 6.2: A 62 GLN : amide:sc= -0.569 K(o=-1.2,f=-4.6!) USER MOD Single : A 4 THR OG1 : rot 160:sc= 0.824 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 MET CE :methyl -162:sc= -0.119 (180deg=-0.555) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 71 GLN : amide:sc= -2.32! C(o=-2.3!,f=-4.7!) USER MOD Single : A 76 LYS NZ :NH3+ -156:sc= 1.14 (180deg=0.739) USER MOD Single : A 77 GLN : amide:sc= -0.0376 K(o=-0.038,f=-1.4!) USER MOD Single : A 83 GLN : amide:sc=-0.00385 K(o=-0.0038,f=-1) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0.147 X(o=0.15,f=-0.029) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc= -0.719 X(o=-0.72,f=-0.7) USER MOD Single : A 97 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 98 GLN :FLIP amide:sc= -0.0126 F(o=-1.1,f=-0.013) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.403 X(o=-0.4,f=0) USER MOD Single : A 105 MET CE :methyl 162:sc= -0.0783 (180deg=-0.485) USER MOD Single : A 108 ASN : amide:sc= 1.21 K(o=1.2,f=-5.3!) USER MOD Single : A 109 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 113 GLN :FLIP amide:sc= -1.44 F(o=-3.2!,f=-1.4) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 7.908 -20.263 3.220 1.00 0.00 N ATOM 35 CA CYS A 3 9.139 -20.012 2.531 1.00 0.00 C ATOM 36 C CYS A 3 8.963 -20.333 1.070 1.00 0.00 C ATOM 37 O CYS A 3 8.138 -21.184 0.710 1.00 0.00 O ATOM 38 CB CYS A 3 10.290 -20.839 3.117 1.00 0.00 C ATOM 39 SG CYS A 3 10.651 -20.556 4.901 1.00 0.00 S ATOM 0 HA CYS A 3 9.395 -18.959 2.652 1.00 0.00 H new ATOM 0 HB2 CYS A 3 10.063 -21.896 2.975 1.00 0.00 H new ATOM 0 HB3 CYS A 3 11.193 -20.627 2.545 1.00 0.00 H new ATOM 44 N THR A 4 9.679 -19.635 0.235 1.00 0.00 N ATOM 45 CA THR A 4 9.637 -19.864 -1.180 1.00 0.00 C ATOM 46 C THR A 4 10.392 -21.141 -1.509 1.00 0.00 C ATOM 47 O THR A 4 11.217 -21.615 -0.700 1.00 0.00 O ATOM 48 CB THR A 4 10.247 -18.681 -1.954 1.00 0.00 C ATOM 49 OG1 THR A 4 11.616 -18.473 -1.554 1.00 0.00 O ATOM 50 CG2 THR A 4 9.446 -17.408 -1.717 1.00 0.00 C ATOM 0 H THR A 4 10.312 -18.887 0.519 1.00 0.00 H new ATOM 0 HA THR A 4 8.594 -19.963 -1.482 1.00 0.00 H new ATOM 0 HB THR A 4 10.216 -18.922 -3.017 1.00 0.00 H new ATOM 0 HG1 THR A 4 12.085 -17.960 -2.245 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.896 -16.586 -2.274 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.420 -17.556 -2.054 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.448 -17.170 -0.653 1.00 0.00 H new ATOM 58 N LYS A 5 10.143 -21.705 -2.659 1.00 0.00 N ATOM 59 CA LYS A 5 10.797 -22.933 -3.016 1.00 0.00 C ATOM 60 C LYS A 5 12.051 -22.657 -3.834 1.00 0.00 C ATOM 61 O LYS A 5 12.075 -22.843 -5.061 1.00 0.00 O ATOM 62 CB LYS A 5 9.860 -23.940 -3.732 1.00 0.00 C ATOM 63 CG LYS A 5 8.663 -24.448 -2.901 1.00 0.00 C ATOM 64 CD LYS A 5 7.546 -23.408 -2.715 1.00 0.00 C ATOM 65 CE LYS A 5 6.884 -23.045 -4.046 1.00 0.00 C ATOM 66 NZ LYS A 5 5.717 -22.152 -3.879 1.00 0.00 N ATOM 0 H LYS A 5 9.498 -21.338 -3.359 1.00 0.00 H new ATOM 0 HA LYS A 5 11.090 -23.414 -2.083 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.477 -23.470 -4.638 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.452 -24.800 -4.045 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.246 -25.331 -3.385 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.021 -24.761 -1.920 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.794 -23.800 -2.030 1.00 0.00 H new ATOM 0 HD3 LYS A 5 7.958 -22.509 -2.256 1.00 0.00 H new ATOM 0 HE2 LYS A 5 7.617 -22.561 -4.691 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.568 -23.958 -4.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 5.307 -21.938 -4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.003 -22.621 -3.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.019 -21.268 -3.423 1.00 0.00 H new ATOM 80 N SER A 6 13.060 -22.144 -3.164 1.00 0.00 N ATOM 81 CA SER A 6 14.316 -21.831 -3.768 1.00 0.00 C ATOM 82 C SER A 6 15.367 -21.946 -2.686 1.00 0.00 C ATOM 83 O SER A 6 15.016 -22.084 -1.501 1.00 0.00 O ATOM 84 CB SER A 6 14.280 -20.401 -4.346 1.00 0.00 C ATOM 85 OG SER A 6 15.460 -20.088 -5.076 1.00 0.00 O ATOM 0 H SER A 6 13.019 -21.933 -2.167 1.00 0.00 H new ATOM 0 HA SER A 6 14.540 -22.511 -4.590 1.00 0.00 H new ATOM 0 HB2 SER A 6 13.413 -20.296 -4.998 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.157 -19.685 -3.533 1.00 0.00 H new ATOM 0 HG SER A 6 15.396 -19.175 -5.426 1.00 0.00 H new ATOM 91 N ILE A 7 16.621 -21.950 -3.067 1.00 0.00 N ATOM 92 CA ILE A 7 17.714 -22.010 -2.125 1.00 0.00 C ATOM 93 C ILE A 7 18.720 -20.888 -2.428 1.00 0.00 C ATOM 94 O ILE A 7 19.298 -20.847 -3.523 1.00 0.00 O ATOM 95 CB ILE A 7 18.412 -23.403 -2.122 1.00 0.00 C ATOM 96 CG1 ILE A 7 17.403 -24.488 -1.706 1.00 0.00 C ATOM 97 CG2 ILE A 7 19.607 -23.401 -1.177 1.00 0.00 C ATOM 98 CD1 ILE A 7 17.957 -25.890 -1.687 1.00 0.00 C ATOM 0 H ILE A 7 16.914 -21.912 -4.043 1.00 0.00 H new ATOM 0 HA ILE A 7 17.306 -21.865 -1.125 1.00 0.00 H new ATOM 0 HB ILE A 7 18.773 -23.618 -3.128 1.00 0.00 H new ATOM 0 HG12 ILE A 7 17.022 -24.249 -0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 7 16.554 -24.457 -2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 7 20.082 -24.382 -1.188 1.00 0.00 H new ATOM 0 HG22 ILE A 7 20.325 -22.647 -1.500 1.00 0.00 H new ATOM 0 HG23 ILE A 7 19.271 -23.172 -0.166 1.00 0.00 H new ATOM 0 HD11 ILE A 7 17.175 -26.586 -1.383 1.00 0.00 H new ATOM 0 HD12 ILE A 7 18.311 -26.155 -2.683 1.00 0.00 H new ATOM 0 HD13 ILE A 7 18.786 -25.944 -0.981 1.00 0.00 H new ATOM 110 N PRO A 8 18.951 -19.961 -1.482 1.00 0.00 N ATOM 111 CA PRO A 8 18.303 -19.965 -0.155 1.00 0.00 C ATOM 112 C PRO A 8 16.810 -19.579 -0.223 1.00 0.00 C ATOM 113 O PRO A 8 16.397 -18.816 -1.106 1.00 0.00 O ATOM 114 CB PRO A 8 19.093 -18.912 0.618 1.00 0.00 C ATOM 115 CG PRO A 8 19.593 -17.981 -0.422 1.00 0.00 C ATOM 116 CD PRO A 8 19.879 -18.823 -1.627 1.00 0.00 C ATOM 0 HA PRO A 8 18.314 -20.954 0.303 1.00 0.00 H new ATOM 0 HB2 PRO A 8 18.463 -18.396 1.342 1.00 0.00 H new ATOM 0 HB3 PRO A 8 19.915 -19.363 1.175 1.00 0.00 H new ATOM 0 HG2 PRO A 8 18.852 -17.215 -0.649 1.00 0.00 H new ATOM 0 HG3 PRO A 8 20.492 -17.465 -0.084 1.00 0.00 H new ATOM 0 HD2 PRO A 8 19.699 -18.274 -2.552 1.00 0.00 H new ATOM 0 HD3 PRO A 8 20.918 -19.153 -1.649 1.00 0.00 H new ATOM 124 N PRO A 9 15.987 -20.127 0.672 1.00 0.00 N ATOM 125 CA PRO A 9 14.556 -19.853 0.686 1.00 0.00 C ATOM 126 C PRO A 9 14.233 -18.468 1.221 1.00 0.00 C ATOM 127 O PRO A 9 14.898 -17.961 2.137 1.00 0.00 O ATOM 128 CB PRO A 9 13.999 -20.914 1.630 1.00 0.00 C ATOM 129 CG PRO A 9 15.121 -21.217 2.553 1.00 0.00 C ATOM 130 CD PRO A 9 16.376 -21.074 1.741 1.00 0.00 C ATOM 0 HA PRO A 9 14.133 -19.882 -0.318 1.00 0.00 H new ATOM 0 HB2 PRO A 9 13.128 -20.545 2.172 1.00 0.00 H new ATOM 0 HB3 PRO A 9 13.682 -21.803 1.085 1.00 0.00 H new ATOM 0 HG2 PRO A 9 15.125 -20.532 3.401 1.00 0.00 H new ATOM 0 HG3 PRO A 9 15.031 -22.225 2.958 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.200 -20.687 2.340 1.00 0.00 H new ATOM 0 HD3 PRO A 9 16.701 -22.031 1.332 1.00 0.00 H new ATOM 138 N ILE A 10 13.234 -17.868 0.652 1.00 0.00 N ATOM 139 CA ILE A 10 12.761 -16.590 1.096 1.00 0.00 C ATOM 140 C ILE A 10 11.603 -16.873 2.022 1.00 0.00 C ATOM 141 O ILE A 10 10.606 -17.443 1.601 1.00 0.00 O ATOM 142 CB ILE A 10 12.287 -15.735 -0.107 1.00 0.00 C ATOM 143 CG1 ILE A 10 13.410 -15.606 -1.155 1.00 0.00 C ATOM 144 CG2 ILE A 10 11.801 -14.364 0.345 1.00 0.00 C ATOM 145 CD1 ILE A 10 14.679 -14.949 -0.637 1.00 0.00 C ATOM 0 H ILE A 10 12.719 -18.253 -0.140 1.00 0.00 H new ATOM 0 HA ILE A 10 13.550 -16.030 1.598 1.00 0.00 H new ATOM 0 HB ILE A 10 11.443 -16.245 -0.571 1.00 0.00 H new ATOM 0 HG12 ILE A 10 13.657 -16.599 -1.530 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.036 -15.030 -2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 10 11.476 -13.789 -0.522 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.966 -14.483 1.035 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.613 -13.837 0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 10 15.416 -14.899 -1.439 1.00 0.00 H new ATOM 0 HD12 ILE A 10 14.451 -13.941 -0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 10 15.081 -15.535 0.189 1.00 0.00 H new ATOM 157 N CYS A 11 11.745 -16.540 3.261 1.00 0.00 N ATOM 158 CA CYS A 11 10.747 -16.887 4.235 1.00 0.00 C ATOM 159 C CYS A 11 9.910 -15.700 4.673 1.00 0.00 C ATOM 160 O CYS A 11 10.380 -14.556 4.699 1.00 0.00 O ATOM 161 CB CYS A 11 11.373 -17.627 5.406 1.00 0.00 C ATOM 162 SG CYS A 11 12.182 -19.208 4.927 1.00 0.00 S ATOM 0 H CYS A 11 12.544 -16.025 3.631 1.00 0.00 H new ATOM 0 HA CYS A 11 10.045 -17.567 3.752 1.00 0.00 H new ATOM 0 HB2 CYS A 11 12.110 -16.980 5.882 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.603 -17.833 6.149 1.00 0.00 H new ATOM 310 N CYS A 22 2.605 -9.156 -1.926 1.00 0.00 N ATOM 311 CA CYS A 22 3.912 -8.840 -1.446 1.00 0.00 C ATOM 312 C CYS A 22 3.827 -8.097 -0.136 1.00 0.00 C ATOM 313 O CYS A 22 3.039 -7.134 -0.004 1.00 0.00 O ATOM 314 CB CYS A 22 4.652 -7.992 -2.453 1.00 0.00 C ATOM 315 SG CYS A 22 5.151 -8.848 -3.968 1.00 0.00 S ATOM 0 HA CYS A 22 4.453 -9.774 -1.295 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.021 -7.146 -2.725 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.543 -7.585 -1.975 1.00 0.00 H new ATOM 320 N GLN A 23 4.572 -8.546 0.835 1.00 0.00 N ATOM 321 CA GLN A 23 4.631 -7.861 2.076 1.00 0.00 C ATOM 322 C GLN A 23 5.960 -7.160 2.194 1.00 0.00 C ATOM 323 O GLN A 23 7.029 -7.776 2.211 1.00 0.00 O ATOM 324 CB GLN A 23 4.316 -8.744 3.289 1.00 0.00 C ATOM 325 CG GLN A 23 5.265 -9.888 3.548 1.00 0.00 C ATOM 326 CD GLN A 23 4.919 -10.624 4.833 1.00 0.00 C ATOM 327 OE1 GLN A 23 4.161 -11.598 4.841 1.00 0.00 O ATOM 328 NE2 GLN A 23 5.455 -10.150 5.931 1.00 0.00 N ATOM 0 H GLN A 23 5.146 -9.388 0.781 1.00 0.00 H new ATOM 0 HA GLN A 23 3.835 -7.116 2.083 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.293 -8.111 4.176 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.313 -9.153 3.163 1.00 0.00 H new ATOM 0 HG2 GLN A 23 5.234 -10.584 2.710 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.285 -9.508 3.609 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.077 -9.343 5.888 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.250 -10.588 6.829 1.00 0.00 H new ATOM 337 N ILE A 24 5.885 -5.885 2.211 1.00 0.00 N ATOM 338 CA ILE A 24 7.042 -5.050 2.258 1.00 0.00 C ATOM 339 C ILE A 24 7.010 -4.357 3.591 1.00 0.00 C ATOM 340 O ILE A 24 5.974 -3.798 3.977 1.00 0.00 O ATOM 341 CB ILE A 24 7.070 -3.995 1.084 1.00 0.00 C ATOM 342 CG1 ILE A 24 6.834 -4.642 -0.298 1.00 0.00 C ATOM 343 CG2 ILE A 24 8.389 -3.265 1.040 1.00 0.00 C ATOM 344 CD1 ILE A 24 5.388 -4.910 -0.645 1.00 0.00 C ATOM 0 H ILE A 24 5.003 -5.372 2.193 1.00 0.00 H new ATOM 0 HA ILE A 24 7.942 -5.652 2.136 1.00 0.00 H new ATOM 0 HB ILE A 24 6.258 -3.299 1.292 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.260 -3.993 -1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.381 -5.584 -0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.379 -2.545 0.222 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.546 -2.741 1.983 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.196 -3.981 0.884 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.329 -5.365 -1.634 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.957 -5.587 0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.834 -3.972 -0.644 1.00 0.00 H new ATOM 356 N ARG A 25 8.098 -4.425 4.303 1.00 0.00 N ATOM 357 CA ARG A 25 8.163 -3.907 5.631 1.00 0.00 C ATOM 358 C ARG A 25 8.047 -2.398 5.647 1.00 0.00 C ATOM 359 O ARG A 25 8.819 -1.690 5.010 1.00 0.00 O ATOM 360 CB ARG A 25 9.417 -4.416 6.336 1.00 0.00 C ATOM 361 CG ARG A 25 10.715 -4.069 5.647 1.00 0.00 C ATOM 362 CD ARG A 25 11.863 -4.812 6.258 1.00 0.00 C ATOM 363 NE ARG A 25 11.690 -6.261 6.149 1.00 0.00 N ATOM 364 CZ ARG A 25 12.258 -7.171 6.944 1.00 0.00 C ATOM 365 NH1 ARG A 25 13.048 -6.795 7.946 1.00 0.00 N ATOM 366 NH2 ARG A 25 12.044 -8.457 6.723 1.00 0.00 N ATOM 0 H ARG A 25 8.967 -4.844 3.973 1.00 0.00 H new ATOM 0 HA ARG A 25 7.305 -4.276 6.193 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.439 -4.010 7.347 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.350 -5.500 6.429 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.644 -4.311 4.587 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.893 -2.996 5.718 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.790 -4.518 5.765 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.958 -4.535 7.308 1.00 0.00 H new ATOM 0 HE ARG A 25 11.085 -6.605 5.403 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.224 -5.804 8.112 1.00 0.00 H new ATOM 0 HH12 ARG A 25 13.477 -7.497 8.548 1.00 0.00 H new ATOM 0 HH21 ARG A 25 11.448 -8.749 5.949 1.00 0.00 H new ATOM 0 HH22 ARG A 25 12.475 -9.157 7.327 1.00 0.00 H new ATOM 380 N ILE A 26 7.081 -1.909 6.395 1.00 0.00 N ATOM 381 CA ILE A 26 6.784 -0.479 6.464 1.00 0.00 C ATOM 382 C ILE A 26 7.947 0.331 7.005 1.00 0.00 C ATOM 383 O ILE A 26 8.077 1.516 6.735 1.00 0.00 O ATOM 384 CB ILE A 26 5.441 -0.171 7.225 1.00 0.00 C ATOM 385 CG1 ILE A 26 5.387 -0.728 8.682 1.00 0.00 C ATOM 386 CG2 ILE A 26 4.275 -0.716 6.433 1.00 0.00 C ATOM 387 CD1 ILE A 26 6.215 0.015 9.716 1.00 0.00 C ATOM 0 H ILE A 26 6.474 -2.486 6.977 1.00 0.00 H new ATOM 0 HA ILE A 26 6.633 -0.156 5.434 1.00 0.00 H new ATOM 0 HB ILE A 26 5.385 0.914 7.313 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.348 -0.727 9.011 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.715 -1.767 8.664 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.345 -0.502 6.960 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.251 -0.245 5.450 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.387 -1.794 6.316 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.098 -0.464 10.688 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.265 -0.007 9.425 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.877 1.049 9.778 1.00 0.00 H new ATOM 399 N GLN A 27 8.840 -0.351 7.687 1.00 0.00 N ATOM 400 CA GLN A 27 9.984 0.278 8.297 1.00 0.00 C ATOM 401 C GLN A 27 11.034 0.605 7.241 1.00 0.00 C ATOM 402 O GLN A 27 11.999 1.317 7.510 1.00 0.00 O ATOM 403 CB GLN A 27 10.565 -0.629 9.381 1.00 0.00 C ATOM 404 CG GLN A 27 11.090 -1.950 8.852 1.00 0.00 C ATOM 405 CD GLN A 27 11.550 -2.881 9.941 1.00 0.00 C ATOM 406 OE1 GLN A 27 12.709 -2.861 10.343 1.00 0.00 O ATOM 407 NE2 GLN A 27 10.662 -3.709 10.407 1.00 0.00 N ATOM 0 H GLN A 27 8.791 -1.359 7.833 1.00 0.00 H new ATOM 0 HA GLN A 27 9.669 1.212 8.763 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.374 -0.103 9.888 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.796 -0.826 10.128 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.308 -2.439 8.271 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.920 -1.758 8.172 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.709 -3.692 10.044 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.919 -4.376 11.135 1.00 0.00 H new ATOM 416 N GLN A 28 10.864 0.072 6.039 1.00 0.00 N ATOM 417 CA GLN A 28 11.795 0.370 4.996 1.00 0.00 C ATOM 418 C GLN A 28 11.252 1.464 4.092 1.00 0.00 C ATOM 419 O GLN A 28 11.973 2.037 3.281 1.00 0.00 O ATOM 420 CB GLN A 28 12.237 -0.889 4.243 1.00 0.00 C ATOM 421 CG GLN A 28 11.296 -1.486 3.231 1.00 0.00 C ATOM 422 CD GLN A 28 11.884 -2.759 2.618 1.00 0.00 C ATOM 423 OE1 GLN A 28 11.163 -3.679 2.281 1.00 0.00 O ATOM 424 NE2 GLN A 28 13.189 -2.815 2.458 1.00 0.00 N ATOM 0 H GLN A 28 10.102 -0.554 5.779 1.00 0.00 H new ATOM 0 HA GLN A 28 12.706 0.763 5.447 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.172 -0.659 3.732 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.459 -1.658 4.983 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.342 -1.714 3.707 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.094 -0.759 2.444 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.773 -2.031 2.749 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.617 -3.643 2.043 1.00 0.00 H new ATOM 433 N LEU A 29 9.983 1.784 4.275 1.00 0.00 N ATOM 434 CA LEU A 29 9.339 2.849 3.497 1.00 0.00 C ATOM 435 C LEU A 29 9.119 4.091 4.298 1.00 0.00 C ATOM 436 O LEU A 29 8.550 5.056 3.786 1.00 0.00 O ATOM 437 CB LEU A 29 8.000 2.440 2.880 1.00 0.00 C ATOM 438 CG LEU A 29 8.030 1.410 1.772 1.00 0.00 C ATOM 439 CD1 LEU A 29 9.163 1.698 0.793 1.00 0.00 C ATOM 440 CD2 LEU A 29 8.086 0.013 2.323 1.00 0.00 C ATOM 0 H LEU A 29 9.372 1.328 4.952 1.00 0.00 H new ATOM 0 HA LEU A 29 10.048 3.045 2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.364 2.058 3.678 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.519 3.338 2.492 1.00 0.00 H new ATOM 0 HG LEU A 29 7.098 1.484 1.212 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.164 0.944 0.006 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.020 2.684 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.116 1.672 1.321 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.106 -0.702 1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.985 -0.104 2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.207 -0.170 2.941 1.00 0.00 H new ATOM 452 N ASN A 30 9.590 4.093 5.533 1.00 0.00 N ATOM 453 CA ASN A 30 9.376 5.230 6.436 1.00 0.00 C ATOM 454 C ASN A 30 9.919 6.522 5.845 1.00 0.00 C ATOM 455 O ASN A 30 9.303 7.566 5.991 1.00 0.00 O ATOM 456 CB ASN A 30 9.998 4.995 7.825 1.00 0.00 C ATOM 457 CG ASN A 30 9.679 6.113 8.842 1.00 0.00 C ATOM 458 OD1 ASN A 30 10.508 6.450 9.701 1.00 0.00 O ATOM 459 ND2 ASN A 30 8.477 6.653 8.801 1.00 0.00 N ATOM 0 H ASN A 30 10.123 3.325 5.941 1.00 0.00 H new ATOM 0 HA ASN A 30 8.297 5.323 6.557 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.639 4.044 8.219 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.079 4.909 7.720 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.213 7.363 9.484 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.811 6.361 8.086 1.00 0.00 H new ATOM 466 N HIS A 31 11.027 6.433 5.106 1.00 0.00 N ATOM 467 CA HIS A 31 11.662 7.630 4.557 1.00 0.00 C ATOM 468 C HIS A 31 10.765 8.204 3.485 1.00 0.00 C ATOM 469 O HIS A 31 10.393 9.370 3.535 1.00 0.00 O ATOM 470 CB HIS A 31 13.021 7.311 3.923 1.00 0.00 C ATOM 471 CG HIS A 31 13.916 8.509 3.761 1.00 0.00 C ATOM 472 ND1 HIS A 31 15.204 8.561 4.235 1.00 0.00 N ATOM 473 CD2 HIS A 31 13.693 9.705 3.150 1.00 0.00 C ATOM 474 CE1 HIS A 31 15.720 9.740 3.919 1.00 0.00 C ATOM 475 NE2 HIS A 31 14.842 10.487 3.254 1.00 0.00 N ATOM 0 H HIS A 31 11.497 5.557 4.877 1.00 0.00 H new ATOM 0 HA HIS A 31 11.817 8.336 5.373 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.532 6.569 4.537 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.857 6.858 2.945 1.00 0.00 H new ATOM 0 HD1 HIS A 31 15.682 7.818 4.744 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.775 10.000 2.664 1.00 0.00 H new ATOM 0 HE1 HIS A 31 16.723 10.054 4.169 1.00 0.00 H new ATOM 483 N CYS A 32 10.421 7.349 2.542 1.00 0.00 N ATOM 484 CA CYS A 32 9.595 7.677 1.401 1.00 0.00 C ATOM 485 C CYS A 32 8.278 8.277 1.911 1.00 0.00 C ATOM 486 O CYS A 32 7.904 9.387 1.543 1.00 0.00 O ATOM 487 CB CYS A 32 9.342 6.376 0.621 1.00 0.00 C ATOM 488 SG CYS A 32 9.320 6.532 -1.186 1.00 0.00 S ATOM 0 H CYS A 32 10.720 6.374 2.551 1.00 0.00 H new ATOM 0 HA CYS A 32 10.076 8.404 0.747 1.00 0.00 H new ATOM 0 HB2 CYS A 32 10.111 5.654 0.895 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.387 5.961 0.943 1.00 0.00 H new ATOM 493 N GLN A 33 7.639 7.545 2.816 1.00 0.00 N ATOM 494 CA GLN A 33 6.433 7.938 3.493 1.00 0.00 C ATOM 495 C GLN A 33 6.544 9.337 4.125 1.00 0.00 C ATOM 496 O GLN A 33 5.802 10.248 3.754 1.00 0.00 O ATOM 497 CB GLN A 33 6.162 6.912 4.582 1.00 0.00 C ATOM 498 CG GLN A 33 5.110 7.323 5.575 1.00 0.00 C ATOM 499 CD GLN A 33 5.103 6.460 6.824 1.00 0.00 C ATOM 500 OE1 GLN A 33 6.147 5.945 7.251 1.00 0.00 O ATOM 501 NE2 GLN A 33 3.954 6.294 7.421 1.00 0.00 N ATOM 0 H GLN A 33 7.971 6.624 3.102 1.00 0.00 H new ATOM 0 HA GLN A 33 5.622 7.981 2.767 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.857 5.976 4.114 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.091 6.713 5.116 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.273 8.363 5.859 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.130 7.273 5.100 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.114 6.732 7.042 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.896 5.726 8.266 1.00 0.00 H new ATOM 510 N MET A 34 7.489 9.504 5.055 1.00 0.00 N ATOM 511 CA MET A 34 7.590 10.748 5.814 1.00 0.00 C ATOM 512 C MET A 34 7.973 11.913 4.951 1.00 0.00 C ATOM 513 O MET A 34 7.429 12.982 5.094 1.00 0.00 O ATOM 514 CB MET A 34 8.550 10.651 7.018 1.00 0.00 C ATOM 515 CG MET A 34 10.019 10.410 6.685 1.00 0.00 C ATOM 516 SD MET A 34 11.082 10.379 8.147 1.00 0.00 S ATOM 517 CE MET A 34 10.931 12.082 8.714 1.00 0.00 C ATOM 0 H MET A 34 8.187 8.800 5.297 1.00 0.00 H new ATOM 0 HA MET A 34 6.587 10.919 6.205 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.475 11.574 7.592 1.00 0.00 H new ATOM 0 HB3 MET A 34 8.208 9.844 7.666 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.114 9.463 6.154 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.365 11.191 6.008 1.00 0.00 H new ATOM 0 HE1 MET A 34 11.750 12.313 9.395 1.00 0.00 H new ATOM 0 HE2 MET A 34 10.970 12.755 7.858 1.00 0.00 H new ATOM 0 HE3 MET A 34 9.981 12.210 9.233 1.00 0.00 H new ATOM 527 N HIS A 35 8.868 11.688 4.029 1.00 0.00 N ATOM 528 CA HIS A 35 9.386 12.754 3.190 1.00 0.00 C ATOM 529 C HIS A 35 8.299 13.268 2.242 1.00 0.00 C ATOM 530 O HIS A 35 8.345 14.414 1.798 1.00 0.00 O ATOM 531 CB HIS A 35 10.585 12.265 2.394 1.00 0.00 C ATOM 532 CG HIS A 35 11.585 13.330 2.067 1.00 0.00 C ATOM 533 ND1 HIS A 35 11.273 14.596 1.609 1.00 0.00 N ATOM 534 CD2 HIS A 35 12.929 13.291 2.162 1.00 0.00 C ATOM 535 CE1 HIS A 35 12.419 15.268 1.439 1.00 0.00 C ATOM 536 NE2 HIS A 35 13.462 14.512 1.763 1.00 0.00 N ATOM 0 H HIS A 35 9.263 10.768 3.832 1.00 0.00 H new ATOM 0 HA HIS A 35 9.703 13.575 3.834 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.083 11.476 2.958 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.231 11.818 1.465 1.00 0.00 H new ATOM 0 HD1 HIS A 35 10.335 14.955 1.432 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.505 12.441 2.497 1.00 0.00 H new ATOM 0 HE1 HIS A 35 12.486 16.287 1.086 1.00 0.00 H new ATOM 544 N LEU A 36 7.350 12.409 1.915 1.00 0.00 N ATOM 545 CA LEU A 36 6.229 12.812 1.086 1.00 0.00 C ATOM 546 C LEU A 36 5.140 13.487 1.907 1.00 0.00 C ATOM 547 O LEU A 36 4.477 14.387 1.431 1.00 0.00 O ATOM 548 CB LEU A 36 5.641 11.634 0.306 1.00 0.00 C ATOM 549 CG LEU A 36 6.571 10.985 -0.726 1.00 0.00 C ATOM 550 CD1 LEU A 36 5.887 9.816 -1.399 1.00 0.00 C ATOM 551 CD2 LEU A 36 7.049 11.996 -1.763 1.00 0.00 C ATOM 0 H LEU A 36 7.333 11.433 2.209 1.00 0.00 H new ATOM 0 HA LEU A 36 6.620 13.533 0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.331 10.870 1.019 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.742 11.975 -0.207 1.00 0.00 H new ATOM 0 HG LEU A 36 7.448 10.616 -0.194 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.563 9.369 -2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.618 9.072 -0.650 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.986 10.164 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.706 11.501 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.189 12.413 -2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.594 12.798 -1.265 1.00 0.00 H new ATOM 563 N THR A 37 4.931 13.062 3.126 1.00 0.00 N ATOM 564 CA THR A 37 3.902 13.699 3.908 1.00 0.00 C ATOM 565 C THR A 37 4.396 14.991 4.562 1.00 0.00 C ATOM 566 O THR A 37 3.607 15.864 4.926 1.00 0.00 O ATOM 567 CB THR A 37 3.359 12.737 4.964 1.00 0.00 C ATOM 568 OG1 THR A 37 4.438 12.224 5.759 1.00 0.00 O ATOM 569 CG2 THR A 37 2.659 11.578 4.301 1.00 0.00 C ATOM 0 H THR A 37 5.438 12.306 3.586 1.00 0.00 H new ATOM 0 HA THR A 37 3.095 13.968 3.226 1.00 0.00 H new ATOM 0 HB THR A 37 2.656 13.280 5.595 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.222 12.327 6.709 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.276 10.900 5.064 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.831 11.950 3.698 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.363 11.045 3.662 1.00 0.00 H new ATOM 577 N SER A 38 5.681 15.098 4.703 1.00 0.00 N ATOM 578 CA SER A 38 6.290 16.232 5.317 1.00 0.00 C ATOM 579 C SER A 38 6.616 17.305 4.307 1.00 0.00 C ATOM 580 O SER A 38 7.346 17.065 3.341 1.00 0.00 O ATOM 581 CB SER A 38 7.558 15.819 6.081 1.00 0.00 C ATOM 582 OG SER A 38 8.192 16.924 6.716 1.00 0.00 O ATOM 0 H SER A 38 6.344 14.389 4.390 1.00 0.00 H new ATOM 0 HA SER A 38 5.570 16.646 6.023 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.300 15.071 6.831 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.258 15.349 5.390 1.00 0.00 H new ATOM 0 HG SER A 38 8.992 16.614 7.190 1.00 0.00 H new ATOM 588 N PHE A 39 6.078 18.458 4.511 1.00 0.00 N ATOM 589 CA PHE A 39 6.504 19.605 3.771 1.00 0.00 C ATOM 590 C PHE A 39 7.455 20.335 4.671 1.00 0.00 C ATOM 591 O PHE A 39 7.038 21.045 5.587 1.00 0.00 O ATOM 592 CB PHE A 39 5.337 20.493 3.356 1.00 0.00 C ATOM 593 CG PHE A 39 4.420 19.854 2.370 1.00 0.00 C ATOM 594 CD1 PHE A 39 3.227 19.297 2.774 1.00 0.00 C ATOM 595 CD2 PHE A 39 4.761 19.811 1.027 1.00 0.00 C ATOM 596 CE1 PHE A 39 2.388 18.710 1.863 1.00 0.00 C ATOM 597 CE2 PHE A 39 3.924 19.223 0.108 1.00 0.00 C ATOM 598 CZ PHE A 39 2.736 18.671 0.525 1.00 0.00 C ATOM 0 H PHE A 39 5.337 18.636 5.188 1.00 0.00 H new ATOM 0 HA PHE A 39 6.979 19.309 2.836 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.767 20.768 4.244 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.728 21.417 2.930 1.00 0.00 H new ATOM 0 HD1 PHE A 39 2.950 19.323 3.818 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.694 20.244 0.699 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.454 18.277 2.190 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.199 19.195 -0.936 1.00 0.00 H new ATOM 0 HZ PHE A 39 2.075 18.207 -0.192 1.00 0.00 H new ATOM 865 N HIS A 55 15.140 11.944 -2.228 1.00 0.00 N ATOM 866 CA HIS A 55 14.366 10.954 -1.505 1.00 0.00 C ATOM 867 C HIS A 55 14.055 9.762 -2.384 1.00 0.00 C ATOM 868 O HIS A 55 13.825 8.670 -1.900 1.00 0.00 O ATOM 869 CB HIS A 55 13.091 11.548 -0.843 1.00 0.00 C ATOM 870 CG HIS A 55 12.169 12.346 -1.741 1.00 0.00 C ATOM 871 ND1 HIS A 55 11.385 13.382 -1.296 1.00 0.00 N ATOM 872 CD2 HIS A 55 11.897 12.222 -3.055 1.00 0.00 C ATOM 873 CE1 HIS A 55 10.676 13.841 -2.323 1.00 0.00 C ATOM 874 NE2 HIS A 55 10.946 13.167 -3.422 1.00 0.00 N ATOM 0 HA HIS A 55 14.987 10.604 -0.680 1.00 0.00 H new ATOM 0 HB2 HIS A 55 12.519 10.728 -0.410 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.403 12.189 -0.019 1.00 0.00 H new ATOM 0 HD1 HIS A 55 11.352 13.738 -0.341 1.00 0.00 H new ATOM 0 HD2 HIS A 55 12.348 11.500 -3.720 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.972 14.658 -2.264 1.00 0.00 H new ATOM 882 N LEU A 56 14.134 9.976 -3.679 1.00 0.00 N ATOM 883 CA LEU A 56 13.885 8.942 -4.642 1.00 0.00 C ATOM 884 C LEU A 56 15.132 8.108 -4.747 1.00 0.00 C ATOM 885 O LEU A 56 15.051 6.901 -4.759 1.00 0.00 O ATOM 886 CB LEU A 56 13.441 9.551 -6.008 1.00 0.00 C ATOM 887 CG LEU A 56 13.093 8.589 -7.187 1.00 0.00 C ATOM 888 CD1 LEU A 56 14.328 7.987 -7.841 1.00 0.00 C ATOM 889 CD2 LEU A 56 12.152 7.492 -6.729 1.00 0.00 C ATOM 0 H LEU A 56 14.374 10.879 -4.089 1.00 0.00 H new ATOM 0 HA LEU A 56 13.060 8.303 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 56 12.566 10.174 -5.822 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.237 10.213 -6.348 1.00 0.00 H new ATOM 0 HG LEU A 56 12.594 9.195 -7.943 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.024 7.327 -8.654 1.00 0.00 H new ATOM 0 HD12 LEU A 56 14.956 8.785 -8.237 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.890 7.417 -7.101 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.924 6.834 -7.568 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.625 6.915 -5.934 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.230 7.936 -6.355 1.00 0.00 H new ATOM 901 N SER A 57 16.289 8.770 -4.762 1.00 0.00 N ATOM 902 CA SER A 57 17.578 8.094 -4.791 1.00 0.00 C ATOM 903 C SER A 57 17.716 7.155 -3.580 1.00 0.00 C ATOM 904 O SER A 57 18.396 6.138 -3.636 1.00 0.00 O ATOM 905 CB SER A 57 18.712 9.132 -4.794 1.00 0.00 C ATOM 906 OG SER A 57 18.572 10.063 -5.874 1.00 0.00 O ATOM 0 H SER A 57 16.355 9.788 -4.754 1.00 0.00 H new ATOM 0 HA SER A 57 17.644 7.496 -5.700 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.715 9.671 -3.847 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.672 8.622 -4.874 1.00 0.00 H new ATOM 0 HG SER A 57 19.308 10.710 -5.846 1.00 0.00 H new ATOM 912 N LEU A 58 17.056 7.510 -2.500 1.00 0.00 N ATOM 913 CA LEU A 58 17.059 6.708 -1.301 1.00 0.00 C ATOM 914 C LEU A 58 15.952 5.640 -1.355 1.00 0.00 C ATOM 915 O LEU A 58 16.233 4.449 -1.271 1.00 0.00 O ATOM 916 CB LEU A 58 16.890 7.623 -0.094 1.00 0.00 C ATOM 917 CG LEU A 58 17.905 8.779 -0.026 1.00 0.00 C ATOM 918 CD1 LEU A 58 17.620 9.690 1.140 1.00 0.00 C ATOM 919 CD2 LEU A 58 19.333 8.257 0.044 1.00 0.00 C ATOM 0 H LEU A 58 16.502 8.364 -2.430 1.00 0.00 H new ATOM 0 HA LEU A 58 18.009 6.180 -1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 58 15.883 8.040 -0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 58 16.976 7.026 0.814 1.00 0.00 H new ATOM 0 HG LEU A 58 17.799 9.358 -0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 58 18.354 10.496 1.160 1.00 0.00 H new ATOM 0 HD12 LEU A 58 16.620 10.112 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 58 17.679 9.122 2.068 1.00 0.00 H new ATOM 0 HD21 LEU A 58 20.026 9.097 0.091 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.451 7.639 0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 58 19.546 7.660 -0.843 1.00 0.00 H new ATOM 931 N CYS A 59 14.717 6.081 -1.558 1.00 0.00 N ATOM 932 CA CYS A 59 13.541 5.200 -1.591 1.00 0.00 C ATOM 933 C CYS A 59 13.655 4.133 -2.698 1.00 0.00 C ATOM 934 O CYS A 59 13.476 2.949 -2.433 1.00 0.00 O ATOM 935 CB CYS A 59 12.270 6.045 -1.762 1.00 0.00 C ATOM 936 SG CYS A 59 10.688 5.137 -1.781 1.00 0.00 S ATOM 0 H CYS A 59 14.494 7.065 -1.706 1.00 0.00 H new ATOM 0 HA CYS A 59 13.486 4.663 -0.644 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.235 6.776 -0.954 1.00 0.00 H new ATOM 0 HB3 CYS A 59 12.354 6.604 -2.694 1.00 0.00 H new ATOM 941 N CYS A 60 14.013 4.552 -3.923 1.00 0.00 N ATOM 942 CA CYS A 60 14.193 3.633 -5.061 1.00 0.00 C ATOM 943 C CYS A 60 15.277 2.625 -4.763 1.00 0.00 C ATOM 944 O CYS A 60 15.159 1.464 -5.104 1.00 0.00 O ATOM 945 CB CYS A 60 14.496 4.413 -6.369 1.00 0.00 C ATOM 946 SG CYS A 60 14.972 3.417 -7.847 1.00 0.00 S ATOM 0 H CYS A 60 14.185 5.531 -4.152 1.00 0.00 H new ATOM 0 HA CYS A 60 13.259 3.092 -5.211 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.614 5.000 -6.626 1.00 0.00 H new ATOM 0 HB3 CYS A 60 15.300 5.120 -6.163 1.00 0.00 H new ATOM 951 N ASN A 61 16.276 3.050 -4.021 1.00 0.00 N ATOM 952 CA ASN A 61 17.410 2.185 -3.715 1.00 0.00 C ATOM 953 C ASN A 61 17.038 1.211 -2.618 1.00 0.00 C ATOM 954 O ASN A 61 17.621 0.136 -2.480 1.00 0.00 O ATOM 955 CB ASN A 61 18.605 3.015 -3.292 1.00 0.00 C ATOM 956 CG ASN A 61 19.900 2.224 -3.150 1.00 0.00 C ATOM 957 OD1 ASN A 61 20.114 1.258 -4.011 1.00 0.00 O flip ATOM 958 ND2 ASN A 61 20.733 2.530 -2.298 1.00 0.00 N flip ATOM 0 H ASN A 61 16.333 3.985 -3.617 1.00 0.00 H new ATOM 0 HA ASN A 61 17.675 1.624 -4.611 1.00 0.00 H new ATOM 0 HB2 ASN A 61 18.757 3.810 -4.022 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.380 3.495 -2.340 1.00 0.00 H new ATOM 0 HD21 ASN A 61 20.537 3.286 -1.642 1.00 0.00 H new ATOM 0 HD22 ASN A 61 21.619 2.028 -2.248 1.00 0.00 H new ATOM 965 N GLN A 62 16.068 1.588 -1.846 1.00 0.00 N ATOM 966 CA GLN A 62 15.593 0.760 -0.789 1.00 0.00 C ATOM 967 C GLN A 62 14.612 -0.277 -1.344 1.00 0.00 C ATOM 968 O GLN A 62 14.751 -1.471 -1.097 1.00 0.00 O ATOM 969 CB GLN A 62 14.938 1.626 0.301 1.00 0.00 C ATOM 970 CG GLN A 62 14.432 0.846 1.506 1.00 0.00 C ATOM 971 CD GLN A 62 15.533 0.160 2.300 1.00 0.00 C ATOM 972 OE1 GLN A 62 15.311 -0.899 2.877 1.00 0.00 O ATOM 973 NE2 GLN A 62 16.693 0.771 2.389 1.00 0.00 N ATOM 0 H GLN A 62 15.584 2.481 -1.933 1.00 0.00 H new ATOM 0 HA GLN A 62 16.429 0.227 -0.337 1.00 0.00 H new ATOM 0 HB2 GLN A 62 15.661 2.368 0.641 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.104 2.172 -0.139 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.891 1.525 2.165 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.719 0.094 1.167 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.845 1.651 1.896 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.441 0.365 2.951 1.00 0.00 H new ATOM 982 N LEU A 63 13.674 0.187 -2.146 1.00 0.00 N ATOM 983 CA LEU A 63 12.620 -0.659 -2.696 1.00 0.00 C ATOM 984 C LEU A 63 13.176 -1.667 -3.691 1.00 0.00 C ATOM 985 O LEU A 63 12.645 -2.754 -3.839 1.00 0.00 O ATOM 986 CB LEU A 63 11.537 0.216 -3.355 1.00 0.00 C ATOM 987 CG LEU A 63 11.911 0.933 -4.651 1.00 0.00 C ATOM 988 CD1 LEU A 63 11.703 0.068 -5.859 1.00 0.00 C ATOM 989 CD2 LEU A 63 11.169 2.219 -4.789 1.00 0.00 C ATOM 0 H LEU A 63 13.617 1.163 -2.438 1.00 0.00 H new ATOM 0 HA LEU A 63 12.173 -1.223 -1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.670 -0.414 -3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.224 0.968 -2.631 1.00 0.00 H new ATOM 0 HG LEU A 63 12.977 1.155 -4.591 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.983 0.622 -6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.321 -0.826 -5.777 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.654 -0.221 -5.923 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.456 2.706 -5.721 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.097 2.021 -4.798 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.411 2.870 -3.949 1.00 0.00 H new ATOM 1001 N GLN A 64 14.247 -1.290 -4.376 1.00 0.00 N ATOM 1002 CA GLN A 64 14.833 -2.136 -5.403 1.00 0.00 C ATOM 1003 C GLN A 64 15.485 -3.381 -4.790 1.00 0.00 C ATOM 1004 O GLN A 64 15.809 -4.343 -5.500 1.00 0.00 O ATOM 1005 CB GLN A 64 15.848 -1.350 -6.228 1.00 0.00 C ATOM 1006 CG GLN A 64 17.111 -1.019 -5.476 1.00 0.00 C ATOM 1007 CD GLN A 64 18.184 -0.416 -6.353 1.00 0.00 C ATOM 1008 OE1 GLN A 64 18.287 0.800 -6.491 1.00 0.00 O ATOM 1009 NE2 GLN A 64 18.980 -1.257 -6.963 1.00 0.00 N ATOM 0 H GLN A 64 14.728 -0.401 -4.237 1.00 0.00 H new ATOM 0 HA GLN A 64 14.031 -2.468 -6.063 1.00 0.00 H new ATOM 0 HB2 GLN A 64 16.105 -1.926 -7.117 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.386 -0.424 -6.571 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.875 -0.323 -4.671 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.498 -1.926 -5.011 1.00 0.00 H new ATOM 0 HE21 GLN A 64 18.864 -2.261 -6.824 1.00 0.00 H new ATOM 0 HE22 GLN A 64 19.716 -0.909 -7.577 1.00 0.00 H new ATOM 1018 N GLU A 65 15.697 -3.342 -3.478 1.00 0.00 N ATOM 1019 CA GLU A 65 16.256 -4.461 -2.754 1.00 0.00 C ATOM 1020 C GLU A 65 15.178 -5.464 -2.427 1.00 0.00 C ATOM 1021 O GLU A 65 15.454 -6.629 -2.122 1.00 0.00 O ATOM 1022 CB GLU A 65 16.962 -3.990 -1.492 1.00 0.00 C ATOM 1023 CG GLU A 65 18.225 -3.210 -1.776 1.00 0.00 C ATOM 1024 CD GLU A 65 19.263 -4.064 -2.464 1.00 0.00 C ATOM 1025 OE1 GLU A 65 20.064 -4.715 -1.767 1.00 0.00 O ATOM 1026 OE2 GLU A 65 19.301 -4.111 -3.725 1.00 0.00 O ATOM 0 H GLU A 65 15.484 -2.533 -2.895 1.00 0.00 H new ATOM 0 HA GLU A 65 16.997 -4.948 -3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.280 -3.368 -0.912 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.207 -4.855 -0.875 1.00 0.00 H new ATOM 0 HG2 GLU A 65 17.989 -2.349 -2.401 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.632 -2.823 -0.842 1.00 0.00 H new ATOM 1033 N VAL A 66 13.952 -5.011 -2.493 1.00 0.00 N ATOM 1034 CA VAL A 66 12.805 -5.866 -2.292 1.00 0.00 C ATOM 1035 C VAL A 66 12.622 -6.682 -3.580 1.00 0.00 C ATOM 1036 O VAL A 66 13.222 -6.341 -4.612 1.00 0.00 O ATOM 1037 CB VAL A 66 11.515 -5.021 -1.990 1.00 0.00 C ATOM 1038 CG1 VAL A 66 10.367 -5.891 -1.499 1.00 0.00 C ATOM 1039 CG2 VAL A 66 11.805 -3.923 -0.981 1.00 0.00 C ATOM 0 H VAL A 66 13.718 -4.037 -2.688 1.00 0.00 H new ATOM 0 HA VAL A 66 12.965 -6.519 -1.434 1.00 0.00 H new ATOM 0 HB VAL A 66 11.210 -4.563 -2.931 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.496 -5.267 -1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.119 -6.630 -2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.663 -6.400 -0.582 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.895 -3.354 -0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.156 -4.368 -0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.572 -3.258 -1.377 1.00 0.00 H new ATOM 1049 N GLU A 67 11.854 -7.763 -3.507 1.00 0.00 N ATOM 1050 CA GLU A 67 11.573 -8.632 -4.647 1.00 0.00 C ATOM 1051 C GLU A 67 11.166 -7.852 -5.876 1.00 0.00 C ATOM 1052 O GLU A 67 10.488 -6.831 -5.772 1.00 0.00 O ATOM 1053 CB GLU A 67 10.459 -9.569 -4.301 1.00 0.00 C ATOM 1054 CG GLU A 67 10.805 -10.565 -3.259 1.00 0.00 C ATOM 1055 CD GLU A 67 9.646 -11.455 -2.932 1.00 0.00 C ATOM 1056 OE1 GLU A 67 9.477 -12.486 -3.625 1.00 0.00 O ATOM 1057 OE2 GLU A 67 8.881 -11.144 -1.995 1.00 0.00 O ATOM 0 H GLU A 67 11.402 -8.066 -2.644 1.00 0.00 H new ATOM 0 HA GLU A 67 12.492 -9.174 -4.869 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.602 -8.987 -3.962 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.149 -10.096 -5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.644 -11.172 -3.601 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.132 -10.048 -2.357 1.00 0.00 H new ATOM 1064 N LYS A 68 11.529 -8.381 -7.026 1.00 0.00 N ATOM 1065 CA LYS A 68 11.294 -7.756 -8.324 1.00 0.00 C ATOM 1066 C LYS A 68 9.848 -7.323 -8.519 1.00 0.00 C ATOM 1067 O LYS A 68 9.583 -6.236 -9.027 1.00 0.00 O ATOM 1068 CB LYS A 68 11.741 -8.693 -9.451 1.00 0.00 C ATOM 1069 CG LYS A 68 11.059 -10.058 -9.442 1.00 0.00 C ATOM 1070 CD LYS A 68 11.616 -10.983 -10.507 1.00 0.00 C ATOM 1071 CE LYS A 68 11.329 -10.505 -11.927 1.00 0.00 C ATOM 1072 NZ LYS A 68 11.848 -11.451 -12.944 1.00 0.00 N ATOM 0 H LYS A 68 12.008 -9.279 -7.092 1.00 0.00 H new ATOM 0 HA LYS A 68 11.893 -6.846 -8.355 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.546 -8.209 -10.408 1.00 0.00 H new ATOM 0 HB3 LYS A 68 12.819 -8.838 -9.381 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.184 -10.518 -8.462 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.988 -9.928 -9.599 1.00 0.00 H new ATOM 0 HD2 LYS A 68 12.694 -11.075 -10.372 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.192 -11.978 -10.373 1.00 0.00 H new ATOM 0 HE2 LYS A 68 10.254 -10.384 -12.059 1.00 0.00 H new ATOM 0 HE3 LYS A 68 11.781 -9.525 -12.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.633 -11.090 -13.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 12.878 -11.547 -12.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 11.398 -12.380 -12.816 1.00 0.00 H new ATOM 1086 N GLN A 69 8.936 -8.135 -8.042 1.00 0.00 N ATOM 1087 CA GLN A 69 7.518 -7.873 -8.208 1.00 0.00 C ATOM 1088 C GLN A 69 6.998 -6.999 -7.078 1.00 0.00 C ATOM 1089 O GLN A 69 5.995 -6.318 -7.209 1.00 0.00 O ATOM 1090 CB GLN A 69 6.743 -9.192 -8.239 1.00 0.00 C ATOM 1091 CG GLN A 69 7.018 -10.074 -7.025 1.00 0.00 C ATOM 1092 CD GLN A 69 6.216 -11.355 -6.990 1.00 0.00 C ATOM 1093 OE1 GLN A 69 4.995 -11.313 -7.456 1.00 0.00 O flip ATOM 1094 NE2 GLN A 69 6.695 -12.373 -6.479 1.00 0.00 N flip ATOM 0 H GLN A 69 9.149 -8.992 -7.531 1.00 0.00 H new ATOM 0 HA GLN A 69 7.373 -7.346 -9.151 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.675 -8.979 -8.292 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.004 -9.739 -9.145 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.079 -10.323 -7.005 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.807 -9.503 -6.121 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.652 -12.365 -6.127 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.133 -13.221 -6.409 1.00 0.00 H new ATOM 1103 N CYS A 70 7.728 -6.970 -6.012 1.00 0.00 N ATOM 1104 CA CYS A 70 7.283 -6.338 -4.807 1.00 0.00 C ATOM 1105 C CYS A 70 7.829 -4.935 -4.694 1.00 0.00 C ATOM 1106 O CYS A 70 7.427 -4.186 -3.819 1.00 0.00 O ATOM 1107 CB CYS A 70 7.696 -7.179 -3.628 1.00 0.00 C ATOM 1108 SG CYS A 70 7.168 -8.928 -3.768 1.00 0.00 S ATOM 0 H CYS A 70 8.657 -7.386 -5.949 1.00 0.00 H new ATOM 0 HA CYS A 70 6.196 -6.257 -4.825 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.780 -7.141 -3.525 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.274 -6.751 -2.719 1.00 0.00 H new ATOM 1113 N GLN A 71 8.751 -4.586 -5.587 1.00 0.00 N ATOM 1114 CA GLN A 71 9.292 -3.231 -5.668 1.00 0.00 C ATOM 1115 C GLN A 71 8.161 -2.235 -5.883 1.00 0.00 C ATOM 1116 O GLN A 71 8.064 -1.232 -5.203 1.00 0.00 O ATOM 1117 CB GLN A 71 10.247 -3.127 -6.833 1.00 0.00 C ATOM 1118 CG GLN A 71 11.530 -3.912 -6.719 1.00 0.00 C ATOM 1119 CD GLN A 71 12.366 -3.788 -7.989 1.00 0.00 C ATOM 1120 OE1 GLN A 71 13.234 -2.924 -8.105 1.00 0.00 O ATOM 1121 NE2 GLN A 71 12.042 -4.577 -8.983 1.00 0.00 N ATOM 0 H GLN A 71 9.143 -5.231 -6.273 1.00 0.00 H new ATOM 0 HA GLN A 71 9.814 -3.009 -4.737 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.725 -3.453 -7.733 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.500 -2.076 -6.975 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.105 -3.553 -5.865 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.302 -4.961 -6.531 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.318 -5.285 -8.857 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.514 -4.484 -9.883 1.00 0.00 H new ATOM 1130 N CYS A 72 7.280 -2.545 -6.814 1.00 0.00 N ATOM 1131 CA CYS A 72 6.160 -1.676 -7.093 1.00 0.00 C ATOM 1132 C CYS A 72 5.089 -1.806 -6.051 1.00 0.00 C ATOM 1133 O CYS A 72 4.294 -0.894 -5.828 1.00 0.00 O ATOM 1134 CB CYS A 72 5.622 -1.871 -8.493 1.00 0.00 C ATOM 1135 SG CYS A 72 5.283 -3.583 -8.998 1.00 0.00 S ATOM 0 H CYS A 72 7.320 -3.389 -7.386 1.00 0.00 H new ATOM 0 HA CYS A 72 6.529 -0.652 -7.046 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.699 -1.298 -8.587 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.336 -1.443 -9.196 1.00 0.00 H new ATOM 1140 N GLU A 73 5.077 -2.922 -5.396 1.00 0.00 N ATOM 1141 CA GLU A 73 4.128 -3.150 -4.352 1.00 0.00 C ATOM 1142 C GLU A 73 4.483 -2.335 -3.129 1.00 0.00 C ATOM 1143 O GLU A 73 3.602 -1.895 -2.383 1.00 0.00 O ATOM 1144 CB GLU A 73 4.031 -4.610 -4.016 1.00 0.00 C ATOM 1145 CG GLU A 73 3.586 -5.450 -5.198 1.00 0.00 C ATOM 1146 CD GLU A 73 2.231 -5.023 -5.735 1.00 0.00 C ATOM 1147 OE1 GLU A 73 2.147 -4.022 -6.492 1.00 0.00 O ATOM 1148 OE2 GLU A 73 1.228 -5.683 -5.423 1.00 0.00 O ATOM 0 H GLU A 73 5.719 -3.696 -5.567 1.00 0.00 H new ATOM 0 HA GLU A 73 3.149 -2.828 -4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.001 -4.964 -3.667 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.328 -4.744 -3.194 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.328 -5.376 -5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.542 -6.497 -4.900 1.00 0.00 H new ATOM 1155 N ALA A 74 5.780 -2.100 -2.946 1.00 0.00 N ATOM 1156 CA ALA A 74 6.277 -1.280 -1.876 1.00 0.00 C ATOM 1157 C ALA A 74 5.754 0.127 -2.038 1.00 0.00 C ATOM 1158 O ALA A 74 5.514 0.822 -1.068 1.00 0.00 O ATOM 1159 CB ALA A 74 7.797 -1.282 -1.871 1.00 0.00 C ATOM 0 H ALA A 74 6.510 -2.482 -3.547 1.00 0.00 H new ATOM 0 HA ALA A 74 5.932 -1.684 -0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.159 -0.657 -1.055 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.159 -2.301 -1.735 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.164 -0.890 -2.819 1.00 0.00 H new ATOM 1165 N ILE A 75 5.479 0.492 -3.283 1.00 0.00 N ATOM 1166 CA ILE A 75 4.990 1.807 -3.611 1.00 0.00 C ATOM 1167 C ILE A 75 3.566 1.960 -3.105 1.00 0.00 C ATOM 1168 O ILE A 75 3.152 3.046 -2.722 1.00 0.00 O ATOM 1169 CB ILE A 75 5.005 2.047 -5.143 1.00 0.00 C ATOM 1170 CG1 ILE A 75 6.379 1.716 -5.741 1.00 0.00 C ATOM 1171 CG2 ILE A 75 4.589 3.465 -5.487 1.00 0.00 C ATOM 1172 CD1 ILE A 75 7.545 2.414 -5.095 1.00 0.00 C ATOM 0 H ILE A 75 5.592 -0.123 -4.089 1.00 0.00 H new ATOM 0 HA ILE A 75 5.644 2.538 -3.136 1.00 0.00 H new ATOM 0 HB ILE A 75 4.273 1.372 -5.587 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.537 0.640 -5.672 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.366 1.970 -6.801 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.611 3.598 -6.569 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.579 3.647 -5.119 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.278 4.169 -5.021 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.469 2.113 -5.589 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.419 3.493 -5.186 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.593 2.142 -4.040 1.00 0.00 H new ATOM 1184 N LYS A 76 2.844 0.840 -3.010 1.00 0.00 N ATOM 1185 CA LYS A 76 1.447 0.907 -2.611 1.00 0.00 C ATOM 1186 C LYS A 76 1.449 1.174 -1.135 1.00 0.00 C ATOM 1187 O LYS A 76 0.742 2.038 -0.615 1.00 0.00 O ATOM 1188 CB LYS A 76 0.715 -0.425 -2.873 1.00 0.00 C ATOM 1189 CG LYS A 76 0.811 -0.993 -4.294 1.00 0.00 C ATOM 1190 CD LYS A 76 0.371 -0.001 -5.353 1.00 0.00 C ATOM 1191 CE LYS A 76 0.193 -0.668 -6.720 1.00 0.00 C ATOM 1192 NZ LYS A 76 1.375 -1.464 -7.156 1.00 0.00 N ATOM 0 H LYS A 76 3.197 -0.098 -3.200 1.00 0.00 H new ATOM 0 HA LYS A 76 0.932 1.680 -3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.106 -1.171 -2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.339 -0.288 -2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.839 -1.296 -4.491 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.196 -1.890 -4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.568 0.462 -5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.109 0.797 -5.432 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.680 -1.320 -6.686 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.012 0.100 -7.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.377 -1.542 -8.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.247 -0.991 -6.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.327 -2.415 -6.737 1.00 0.00 H new ATOM 1206 N GLN A 77 2.356 0.471 -0.506 1.00 0.00 N ATOM 1207 CA GLN A 77 2.587 0.499 0.914 1.00 0.00 C ATOM 1208 C GLN A 77 2.935 1.888 1.359 1.00 0.00 C ATOM 1209 O GLN A 77 2.455 2.333 2.392 1.00 0.00 O ATOM 1210 CB GLN A 77 3.742 -0.406 1.222 1.00 0.00 C ATOM 1211 CG GLN A 77 3.521 -1.838 0.781 1.00 0.00 C ATOM 1212 CD GLN A 77 2.719 -2.661 1.776 1.00 0.00 C ATOM 1213 OE1 GLN A 77 2.731 -2.394 2.979 1.00 0.00 O ATOM 1214 NE2 GLN A 77 2.046 -3.684 1.303 1.00 0.00 N ATOM 0 H GLN A 77 2.984 -0.167 -0.995 1.00 0.00 H new ATOM 0 HA GLN A 77 1.685 0.174 1.433 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.637 -0.018 0.736 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.930 -0.390 2.296 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.005 -1.839 -0.179 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.488 -2.315 0.623 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.054 -3.881 0.302 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.515 -4.282 1.936 1.00 0.00 H new ATOM 1223 N VAL A 78 3.783 2.576 0.576 1.00 0.00 N ATOM 1224 CA VAL A 78 4.178 3.933 0.909 1.00 0.00 C ATOM 1225 C VAL A 78 2.954 4.817 0.949 1.00 0.00 C ATOM 1226 O VAL A 78 2.775 5.576 1.888 1.00 0.00 O ATOM 1227 CB VAL A 78 5.182 4.578 -0.089 1.00 0.00 C ATOM 1228 CG1 VAL A 78 5.640 5.923 0.429 1.00 0.00 C ATOM 1229 CG2 VAL A 78 6.366 3.696 -0.359 1.00 0.00 C ATOM 0 H VAL A 78 4.198 2.210 -0.281 1.00 0.00 H new ATOM 0 HA VAL A 78 4.678 3.858 1.875 1.00 0.00 H new ATOM 0 HB VAL A 78 4.657 4.711 -1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.342 6.365 -0.278 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.779 6.581 0.544 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.130 5.794 1.394 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.036 4.192 -1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.896 3.503 0.574 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.027 2.752 -0.786 1.00 0.00 H new ATOM 1239 N VAL A 79 2.079 4.657 -0.042 1.00 0.00 N ATOM 1240 CA VAL A 79 0.899 5.489 -0.146 1.00 0.00 C ATOM 1241 C VAL A 79 0.017 5.228 1.043 1.00 0.00 C ATOM 1242 O VAL A 79 -0.408 6.155 1.729 1.00 0.00 O ATOM 1243 CB VAL A 79 0.091 5.204 -1.434 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -1.094 6.145 -1.535 1.00 0.00 C ATOM 1245 CG2 VAL A 79 0.974 5.313 -2.664 1.00 0.00 C ATOM 0 H VAL A 79 2.171 3.958 -0.779 1.00 0.00 H new ATOM 0 HA VAL A 79 1.226 6.528 -0.180 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.285 4.182 -1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.652 5.931 -2.447 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.744 6.006 -0.671 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.739 7.175 -1.560 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.382 5.108 -3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.388 6.319 -2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.787 4.590 -2.594 1.00 0.00 H new ATOM 1255 N GLU A 80 -0.177 3.951 1.310 1.00 0.00 N ATOM 1256 CA GLU A 80 -1.003 3.476 2.390 1.00 0.00 C ATOM 1257 C GLU A 80 -0.561 4.055 3.727 1.00 0.00 C ATOM 1258 O GLU A 80 -1.316 4.782 4.364 1.00 0.00 O ATOM 1259 CB GLU A 80 -0.983 1.945 2.422 1.00 0.00 C ATOM 1260 CG GLU A 80 -1.737 1.329 3.583 1.00 0.00 C ATOM 1261 CD GLU A 80 -1.773 -0.168 3.508 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -2.842 -0.726 3.248 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -0.728 -0.827 3.665 1.00 0.00 O ATOM 0 H GLU A 80 0.248 3.201 0.765 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.025 3.813 2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.407 1.570 1.490 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.053 1.609 2.459 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.269 1.632 4.519 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.756 1.715 3.597 1.00 0.00 H new ATOM 1270 N GLN A 81 0.675 3.796 4.106 1.00 0.00 N ATOM 1271 CA GLN A 81 1.182 4.221 5.403 1.00 0.00 C ATOM 1272 C GLN A 81 1.274 5.745 5.512 1.00 0.00 C ATOM 1273 O GLN A 81 1.092 6.317 6.593 1.00 0.00 O ATOM 1274 CB GLN A 81 2.522 3.539 5.723 1.00 0.00 C ATOM 1275 CG GLN A 81 3.639 3.863 4.749 1.00 0.00 C ATOM 1276 CD GLN A 81 4.835 2.963 4.912 1.00 0.00 C ATOM 1277 OE1 GLN A 81 4.816 1.863 4.218 1.00 0.00 O flip ATOM 1278 NE2 GLN A 81 5.758 3.248 5.658 1.00 0.00 N flip ATOM 0 H GLN A 81 1.352 3.291 3.534 1.00 0.00 H new ATOM 0 HA GLN A 81 0.463 3.900 6.157 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.834 3.832 6.725 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.372 2.460 5.738 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.262 3.778 3.730 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.948 4.899 4.889 1.00 0.00 H new ATOM 0 HE21 GLN A 81 5.736 4.121 6.186 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.551 2.614 5.754 1.00 0.00 H new ATOM 1287 N ALA A 82 1.505 6.401 4.401 1.00 0.00 N ATOM 1288 CA ALA A 82 1.620 7.836 4.397 1.00 0.00 C ATOM 1289 C ALA A 82 0.261 8.488 4.558 1.00 0.00 C ATOM 1290 O ALA A 82 0.112 9.455 5.311 1.00 0.00 O ATOM 1291 CB ALA A 82 2.306 8.316 3.132 1.00 0.00 C ATOM 0 H ALA A 82 1.617 5.962 3.487 1.00 0.00 H new ATOM 0 HA ALA A 82 2.235 8.130 5.248 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.382 9.403 3.150 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.305 7.883 3.073 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.725 8.007 2.263 1.00 0.00 H new ATOM 1297 N GLN A 83 -0.738 7.943 3.905 1.00 0.00 N ATOM 1298 CA GLN A 83 -2.051 8.539 3.975 1.00 0.00 C ATOM 1299 C GLN A 83 -2.715 8.215 5.298 1.00 0.00 C ATOM 1300 O GLN A 83 -3.343 9.074 5.900 1.00 0.00 O ATOM 1301 CB GLN A 83 -2.941 8.156 2.773 1.00 0.00 C ATOM 1302 CG GLN A 83 -3.287 6.680 2.655 1.00 0.00 C ATOM 1303 CD GLN A 83 -4.057 6.371 1.389 1.00 0.00 C ATOM 1304 OE1 GLN A 83 -3.898 7.045 0.364 1.00 0.00 O ATOM 1305 NE2 GLN A 83 -4.891 5.370 1.433 1.00 0.00 N ATOM 0 H GLN A 83 -0.670 7.104 3.329 1.00 0.00 H new ATOM 0 HA GLN A 83 -1.921 9.620 3.918 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.869 8.724 2.835 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.438 8.467 1.858 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.370 6.091 2.673 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -3.877 6.377 3.520 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -4.999 4.834 2.294 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -5.435 5.123 0.607 1.00 0.00 H new ATOM 1314 N LYS A 84 -2.493 7.004 5.794 1.00 0.00 N ATOM 1315 CA LYS A 84 -3.114 6.566 7.028 1.00 0.00 C ATOM 1316 C LYS A 84 -2.507 7.285 8.226 1.00 0.00 C ATOM 1317 O LYS A 84 -3.165 7.462 9.248 1.00 0.00 O ATOM 1318 CB LYS A 84 -3.044 5.017 7.162 1.00 0.00 C ATOM 1319 CG LYS A 84 -1.648 4.433 7.358 1.00 0.00 C ATOM 1320 CD LYS A 84 -1.274 4.303 8.812 1.00 0.00 C ATOM 1321 CE LYS A 84 -1.978 3.106 9.451 1.00 0.00 C ATOM 1322 NZ LYS A 84 -1.729 3.003 10.897 1.00 0.00 N ATOM 0 H LYS A 84 -1.886 6.310 5.357 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.170 6.834 7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.666 4.715 8.005 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.481 4.573 6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.599 3.452 6.885 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.919 5.067 6.854 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.194 4.187 8.905 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -1.544 5.215 9.344 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.051 3.186 9.277 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.643 2.191 8.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.230 2.175 11.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.708 2.899 11.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -2.073 3.863 11.371 1.00 0.00 H new ATOM 1336 N GLN A 85 -1.256 7.723 8.100 1.00 0.00 N ATOM 1337 CA GLN A 85 -0.614 8.407 9.203 1.00 0.00 C ATOM 1338 C GLN A 85 -1.109 9.854 9.298 1.00 0.00 C ATOM 1339 O GLN A 85 -1.164 10.435 10.372 1.00 0.00 O ATOM 1340 CB GLN A 85 0.925 8.362 9.115 1.00 0.00 C ATOM 1341 CG GLN A 85 1.569 9.378 8.187 1.00 0.00 C ATOM 1342 CD GLN A 85 3.063 9.488 8.404 1.00 0.00 C ATOM 1343 OE1 GLN A 85 3.558 9.243 9.502 1.00 0.00 O ATOM 1344 NE2 GLN A 85 3.781 9.918 7.405 1.00 0.00 N ATOM 0 H GLN A 85 -0.684 7.617 7.263 1.00 0.00 H new ATOM 0 HA GLN A 85 -0.892 7.875 10.113 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.331 8.506 10.116 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.222 7.364 8.791 1.00 0.00 H new ATOM 0 HG2 GLN A 85 1.374 9.096 7.152 1.00 0.00 H new ATOM 0 HG3 GLN A 85 1.108 10.353 8.344 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.340 10.112 6.506 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.784 10.060 7.522 1.00 0.00 H new ATOM 1353 N LEU A 86 -1.463 10.422 8.171 1.00 0.00 N ATOM 1354 CA LEU A 86 -1.955 11.783 8.132 1.00 0.00 C ATOM 1355 C LEU A 86 -3.458 11.850 8.387 1.00 0.00 C ATOM 1356 O LEU A 86 -3.927 12.703 9.148 1.00 0.00 O ATOM 1357 CB LEU A 86 -1.555 12.472 6.806 1.00 0.00 C ATOM 1358 CG LEU A 86 -0.330 13.400 6.855 1.00 0.00 C ATOM 1359 CD1 LEU A 86 -0.624 14.615 7.711 1.00 0.00 C ATOM 1360 CD2 LEU A 86 0.881 12.679 7.394 1.00 0.00 C ATOM 0 H LEU A 86 -1.420 9.962 7.262 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.482 12.335 8.944 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.366 11.697 6.063 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.408 13.052 6.452 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.115 13.720 5.836 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.252 15.263 7.736 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.467 15.162 7.289 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.869 14.296 8.724 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.731 13.361 7.416 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.674 12.324 8.404 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.115 11.830 6.752 1.00 0.00 H new ATOM 1372 N GLN A 87 -4.193 10.911 7.809 1.00 0.00 N ATOM 1373 CA GLN A 87 -5.658 10.855 7.898 1.00 0.00 C ATOM 1374 C GLN A 87 -6.144 10.716 9.347 1.00 0.00 C ATOM 1375 O GLN A 87 -7.213 11.218 9.718 1.00 0.00 O ATOM 1376 CB GLN A 87 -6.169 9.684 7.054 1.00 0.00 C ATOM 1377 CG GLN A 87 -7.674 9.563 6.979 1.00 0.00 C ATOM 1378 CD GLN A 87 -8.115 8.419 6.094 1.00 0.00 C ATOM 1379 OE1 GLN A 87 -8.302 7.297 6.552 1.00 0.00 O ATOM 1380 NE2 GLN A 87 -8.263 8.680 4.830 1.00 0.00 N ATOM 0 H GLN A 87 -3.791 10.154 7.257 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.057 11.795 7.516 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.776 9.786 6.042 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.764 8.758 7.461 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.075 9.419 7.982 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.093 10.495 6.600 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -8.099 9.625 4.482 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.543 7.940 4.186 1.00 0.00 H new ATOM 1389 N GLN A 88 -5.357 10.051 10.157 1.00 0.00 N ATOM 1390 CA GLN A 88 -5.706 9.825 11.557 1.00 0.00 C ATOM 1391 C GLN A 88 -5.465 11.074 12.412 1.00 0.00 C ATOM 1392 O GLN A 88 -5.921 11.147 13.558 1.00 0.00 O ATOM 1393 CB GLN A 88 -4.895 8.667 12.126 1.00 0.00 C ATOM 1394 CG GLN A 88 -3.396 8.923 12.152 1.00 0.00 C ATOM 1395 CD GLN A 88 -2.612 7.799 12.774 1.00 0.00 C ATOM 1396 OE1 GLN A 88 -2.375 7.788 13.975 1.00 0.00 O ATOM 1397 NE2 GLN A 88 -2.221 6.849 11.984 1.00 0.00 N ATOM 0 H GLN A 88 -4.462 9.650 9.877 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.769 9.585 11.588 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.237 8.460 13.140 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.091 7.773 11.535 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.044 9.082 11.133 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.201 9.842 12.704 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.437 6.892 10.988 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.697 6.058 12.358 1.00 0.00 H new ATOM 1406 N GLY A 89 -4.763 12.039 11.869 1.00 0.00 N ATOM 1407 CA GLY A 89 -4.418 13.199 12.650 1.00 0.00 C ATOM 1408 C GLY A 89 -4.757 14.505 11.984 1.00 0.00 C ATOM 1409 O GLY A 89 -5.927 14.906 11.943 1.00 0.00 O ATOM 0 H GLY A 89 -4.425 12.045 10.907 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.934 13.146 13.608 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.349 13.177 12.862 1.00 0.00 H new ATOM 1413 N GLN A 90 -3.750 15.135 11.409 1.00 0.00 N ATOM 1414 CA GLN A 90 -3.862 16.486 10.836 1.00 0.00 C ATOM 1415 C GLN A 90 -4.679 16.521 9.560 1.00 0.00 C ATOM 1416 O GLN A 90 -5.208 17.566 9.179 1.00 0.00 O ATOM 1417 CB GLN A 90 -2.476 17.054 10.537 1.00 0.00 C ATOM 1418 CG GLN A 90 -1.564 17.167 11.739 1.00 0.00 C ATOM 1419 CD GLN A 90 -0.217 17.748 11.373 1.00 0.00 C ATOM 1420 OE1 GLN A 90 -0.027 18.966 11.406 1.00 0.00 O ATOM 1421 NE2 GLN A 90 0.719 16.905 11.034 1.00 0.00 N ATOM 0 H GLN A 90 -2.818 14.730 11.320 1.00 0.00 H new ATOM 0 HA GLN A 90 -4.375 17.090 11.585 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.994 16.423 9.790 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.592 18.042 10.092 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -2.036 17.794 12.495 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.425 16.181 12.183 1.00 0.00 H new ATOM 0 HE21 GLN A 90 0.523 15.904 11.019 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.647 17.247 10.784 1.00 0.00 H new ATOM 1430 N GLY A 91 -4.780 15.411 8.908 1.00 0.00 N ATOM 1431 CA GLY A 91 -5.434 15.368 7.641 1.00 0.00 C ATOM 1432 C GLY A 91 -4.401 15.218 6.603 1.00 0.00 C ATOM 1433 O GLY A 91 -4.082 14.105 6.217 1.00 0.00 O ATOM 0 H GLY A 91 -4.416 14.516 9.233 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.137 14.536 7.603 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.009 16.279 7.478 1.00 0.00 H new ATOM 1437 N GLY A 92 -3.877 16.326 6.121 1.00 0.00 N ATOM 1438 CA GLY A 92 -2.749 16.299 5.252 1.00 0.00 C ATOM 1439 C GLY A 92 -3.063 15.959 3.848 1.00 0.00 C ATOM 1440 O GLY A 92 -2.614 16.633 2.978 1.00 0.00 O ATOM 0 H GLY A 92 -4.229 17.261 6.328 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.265 17.275 5.276 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.029 15.576 5.635 1.00 0.00 H new ATOM 1444 N GLN A 93 -3.846 14.941 3.644 1.00 0.00 N ATOM 1445 CA GLN A 93 -4.188 14.397 2.333 1.00 0.00 C ATOM 1446 C GLN A 93 -4.584 15.454 1.291 1.00 0.00 C ATOM 1447 O GLN A 93 -4.378 15.248 0.109 1.00 0.00 O ATOM 1448 CB GLN A 93 -5.268 13.356 2.481 1.00 0.00 C ATOM 1449 CG GLN A 93 -4.846 12.144 3.283 1.00 0.00 C ATOM 1450 CD GLN A 93 -5.917 11.094 3.301 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -6.787 11.088 4.170 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -5.875 10.212 2.348 1.00 0.00 N ATOM 0 H GLN A 93 -4.290 14.435 4.410 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.278 13.942 1.942 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.135 13.812 2.959 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.584 13.031 1.490 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.933 11.726 2.859 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.614 12.446 4.304 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -5.135 10.254 1.647 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -6.582 9.478 2.301 1.00 0.00 H new ATOM 1461 N GLN A 94 -5.113 16.575 1.734 1.00 0.00 N ATOM 1462 CA GLN A 94 -5.443 17.666 0.826 1.00 0.00 C ATOM 1463 C GLN A 94 -4.163 18.364 0.309 1.00 0.00 C ATOM 1464 O GLN A 94 -4.005 18.579 -0.889 1.00 0.00 O ATOM 1465 CB GLN A 94 -6.361 18.686 1.504 1.00 0.00 C ATOM 1466 CG GLN A 94 -5.829 19.188 2.832 1.00 0.00 C ATOM 1467 CD GLN A 94 -6.587 20.383 3.362 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -6.218 21.518 3.104 1.00 0.00 O ATOM 1469 NE2 GLN A 94 -7.651 20.145 4.073 1.00 0.00 N ATOM 0 H GLN A 94 -5.325 16.760 2.714 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.971 17.237 -0.025 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.505 19.534 0.835 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.340 18.234 1.661 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.877 18.382 3.564 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -4.778 19.453 2.718 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.929 19.183 4.269 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.207 20.920 4.435 1.00 0.00 H new ATOM 1478 N GLN A 95 -3.248 18.661 1.225 1.00 0.00 N ATOM 1479 CA GLN A 95 -2.022 19.380 0.923 1.00 0.00 C ATOM 1480 C GLN A 95 -0.938 18.405 0.446 1.00 0.00 C ATOM 1481 O GLN A 95 -0.311 18.597 -0.591 1.00 0.00 O ATOM 1482 CB GLN A 95 -1.559 20.186 2.162 1.00 0.00 C ATOM 1483 CG GLN A 95 -1.266 19.366 3.389 1.00 0.00 C ATOM 1484 CD GLN A 95 -0.731 20.175 4.543 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -0.052 21.178 4.359 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -1.053 19.766 5.736 1.00 0.00 N ATOM 0 H GLN A 95 -3.340 18.405 2.208 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.210 20.087 0.115 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.662 20.746 1.897 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.330 20.916 2.409 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.179 18.860 3.704 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.543 18.591 3.134 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.620 18.926 5.851 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.738 20.285 6.555 1.00 0.00 H new ATOM 1495 N VAL A 96 -0.807 17.323 1.201 1.00 0.00 N ATOM 1496 CA VAL A 96 0.134 16.228 0.987 1.00 0.00 C ATOM 1497 C VAL A 96 -0.102 15.576 -0.357 1.00 0.00 C ATOM 1498 O VAL A 96 0.801 14.961 -0.913 1.00 0.00 O ATOM 1499 CB VAL A 96 0.031 15.168 2.153 1.00 0.00 C ATOM 1500 CG1 VAL A 96 0.867 13.933 1.908 1.00 0.00 C ATOM 1501 CG2 VAL A 96 0.426 15.785 3.486 1.00 0.00 C ATOM 0 H VAL A 96 -1.387 17.176 2.027 1.00 0.00 H new ATOM 0 HA VAL A 96 1.144 16.639 0.991 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.014 14.859 2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.753 13.244 2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.537 13.446 0.990 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.915 14.216 1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.346 15.034 4.272 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.453 16.145 3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.238 16.619 3.712 1.00 0.00 H new ATOM 1511 N GLN A 97 -1.318 15.737 -0.883 1.00 0.00 N ATOM 1512 CA GLN A 97 -1.712 15.171 -2.180 1.00 0.00 C ATOM 1513 C GLN A 97 -0.657 15.411 -3.270 1.00 0.00 C ATOM 1514 O GLN A 97 -0.290 14.484 -3.978 1.00 0.00 O ATOM 1515 CB GLN A 97 -3.043 15.739 -2.637 1.00 0.00 C ATOM 1516 CG GLN A 97 -3.527 15.169 -3.961 1.00 0.00 C ATOM 1517 CD GLN A 97 -4.867 15.724 -4.402 1.00 0.00 C ATOM 1518 OE1 GLN A 97 -5.710 16.071 -3.466 1.00 0.00 O flip ATOM 1519 NE2 GLN A 97 -5.140 15.837 -5.603 1.00 0.00 N flip ATOM 0 H GLN A 97 -2.060 16.264 -0.423 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.804 14.095 -2.030 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.794 15.544 -1.871 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.954 16.822 -2.728 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.784 15.378 -4.731 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.601 14.085 -3.876 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.459 15.557 -6.309 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -6.046 16.210 -5.887 1.00 0.00 H new ATOM 1528 N GLN A 98 -0.125 16.632 -3.347 1.00 0.00 N ATOM 1529 CA GLN A 98 0.852 16.979 -4.387 1.00 0.00 C ATOM 1530 C GLN A 98 2.181 16.250 -4.194 1.00 0.00 C ATOM 1531 O GLN A 98 2.979 16.135 -5.125 1.00 0.00 O ATOM 1532 CB GLN A 98 1.116 18.484 -4.446 1.00 0.00 C ATOM 1533 CG GLN A 98 1.723 19.050 -3.178 1.00 0.00 C ATOM 1534 CD GLN A 98 2.163 20.500 -3.302 1.00 0.00 C ATOM 1535 OE1 GLN A 98 2.614 20.901 -4.469 1.00 0.00 O flip ATOM 1536 NE2 GLN A 98 2.130 21.247 -2.334 1.00 0.00 N flip ATOM 0 H GLN A 98 -0.350 17.394 -2.708 1.00 0.00 H new ATOM 0 HA GLN A 98 0.406 16.659 -5.329 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.783 18.694 -5.282 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.178 19.000 -4.650 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.995 18.969 -2.370 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.582 18.442 -2.895 1.00 0.00 H new ATOM 0 HE21 GLN A 98 1.774 20.908 -1.440 1.00 0.00 H new ATOM 0 HE22 GLN A 98 2.458 22.209 -2.421 1.00 0.00 H new ATOM 1545 N MET A 99 2.413 15.757 -3.006 1.00 0.00 N ATOM 1546 CA MET A 99 3.670 15.134 -2.701 1.00 0.00 C ATOM 1547 C MET A 99 3.522 13.643 -2.768 1.00 0.00 C ATOM 1548 O MET A 99 4.324 12.964 -3.376 1.00 0.00 O ATOM 1549 CB MET A 99 4.135 15.542 -1.328 1.00 0.00 C ATOM 1550 CG MET A 99 5.636 15.665 -1.173 1.00 0.00 C ATOM 1551 SD MET A 99 6.355 16.962 -2.197 1.00 0.00 S ATOM 1552 CE MET A 99 8.050 16.916 -1.617 1.00 0.00 C ATOM 0 H MET A 99 1.746 15.776 -2.234 1.00 0.00 H new ATOM 0 HA MET A 99 4.412 15.457 -3.431 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.679 16.499 -1.076 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.768 14.813 -0.605 1.00 0.00 H new ATOM 0 HG2 MET A 99 5.871 15.865 -0.128 1.00 0.00 H new ATOM 0 HG3 MET A 99 6.100 14.712 -1.427 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.696 17.410 -2.342 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.121 17.430 -0.658 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.366 15.880 -1.497 1.00 0.00 H new ATOM 1562 N VAL A 100 2.480 13.135 -2.161 1.00 0.00 N ATOM 1563 CA VAL A 100 2.228 11.704 -2.177 1.00 0.00 C ATOM 1564 C VAL A 100 1.914 11.210 -3.601 1.00 0.00 C ATOM 1565 O VAL A 100 2.174 10.061 -3.939 1.00 0.00 O ATOM 1566 CB VAL A 100 1.126 11.267 -1.161 1.00 0.00 C ATOM 1567 CG1 VAL A 100 -0.196 11.936 -1.447 1.00 0.00 C ATOM 1568 CG2 VAL A 100 0.974 9.755 -1.139 1.00 0.00 C ATOM 0 H VAL A 100 1.790 13.684 -1.649 1.00 0.00 H new ATOM 0 HA VAL A 100 3.149 11.224 -1.848 1.00 0.00 H new ATOM 0 HB VAL A 100 1.450 11.592 -0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.936 11.606 -0.718 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.078 13.018 -1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.530 11.669 -2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.200 9.477 -0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.693 9.403 -2.132 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.920 9.298 -0.846 1.00 0.00 H new ATOM 1578 N LYS A 101 1.400 12.098 -4.455 1.00 0.00 N ATOM 1579 CA LYS A 101 1.144 11.739 -5.841 1.00 0.00 C ATOM 1580 C LYS A 101 2.442 11.385 -6.574 1.00 0.00 C ATOM 1581 O LYS A 101 2.425 10.626 -7.528 1.00 0.00 O ATOM 1582 CB LYS A 101 0.341 12.840 -6.568 1.00 0.00 C ATOM 1583 CG LYS A 101 1.046 14.173 -6.824 1.00 0.00 C ATOM 1584 CD LYS A 101 1.880 14.178 -8.102 1.00 0.00 C ATOM 1585 CE LYS A 101 2.497 15.544 -8.336 1.00 0.00 C ATOM 1586 NZ LYS A 101 3.223 15.615 -9.617 1.00 0.00 N ATOM 0 H LYS A 101 1.157 13.058 -4.210 1.00 0.00 H new ATOM 0 HA LYS A 101 0.525 10.842 -5.846 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.016 12.441 -7.529 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.558 13.041 -5.986 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.300 14.966 -6.882 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.691 14.404 -5.976 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.666 13.426 -8.032 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.254 13.906 -8.952 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.714 16.302 -8.322 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.181 15.777 -7.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.628 16.566 -9.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.988 14.910 -9.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.566 15.419 -10.399 1.00 0.00 H new ATOM 1600 N LYS A 102 3.563 11.915 -6.079 1.00 0.00 N ATOM 1601 CA LYS A 102 4.881 11.653 -6.644 1.00 0.00 C ATOM 1602 C LYS A 102 5.250 10.191 -6.473 1.00 0.00 C ATOM 1603 O LYS A 102 5.956 9.633 -7.297 1.00 0.00 O ATOM 1604 CB LYS A 102 5.916 12.515 -5.950 1.00 0.00 C ATOM 1605 CG LYS A 102 5.737 14.011 -6.163 1.00 0.00 C ATOM 1606 CD LYS A 102 6.498 14.805 -5.110 1.00 0.00 C ATOM 1607 CE LYS A 102 7.982 14.494 -5.087 1.00 0.00 C ATOM 1608 NZ LYS A 102 8.672 14.954 -6.310 1.00 0.00 N ATOM 0 H LYS A 102 3.578 12.539 -5.273 1.00 0.00 H new ATOM 0 HA LYS A 102 4.856 11.891 -7.707 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.886 12.307 -4.880 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.906 12.227 -6.303 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.090 14.286 -7.157 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.678 14.264 -6.120 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.359 15.870 -5.296 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.074 14.595 -4.128 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.436 14.967 -4.217 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.124 13.419 -4.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.683 14.719 -6.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.258 14.483 -7.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.561 15.984 -6.405 1.00 0.00 H new ATOM 1622 N ALA A 103 4.726 9.565 -5.410 1.00 0.00 N ATOM 1623 CA ALA A 103 4.979 8.144 -5.125 1.00 0.00 C ATOM 1624 C ALA A 103 4.531 7.279 -6.289 1.00 0.00 C ATOM 1625 O ALA A 103 5.152 6.287 -6.616 1.00 0.00 O ATOM 1626 CB ALA A 103 4.264 7.703 -3.855 1.00 0.00 C ATOM 0 H ALA A 103 4.120 10.023 -4.729 1.00 0.00 H new ATOM 0 HA ALA A 103 6.052 8.022 -4.980 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.469 6.649 -3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.620 8.296 -3.012 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.190 7.848 -3.973 1.00 0.00 H new ATOM 1632 N GLN A 104 3.492 7.729 -6.965 1.00 0.00 N ATOM 1633 CA GLN A 104 2.908 7.013 -8.090 1.00 0.00 C ATOM 1634 C GLN A 104 3.863 7.010 -9.291 1.00 0.00 C ATOM 1635 O GLN A 104 3.753 6.189 -10.183 1.00 0.00 O ATOM 1636 CB GLN A 104 1.601 7.678 -8.487 1.00 0.00 C ATOM 1637 CG GLN A 104 0.626 7.880 -7.338 1.00 0.00 C ATOM 1638 CD GLN A 104 -0.695 8.428 -7.812 1.00 0.00 C ATOM 1639 OE1 GLN A 104 -1.620 7.674 -8.116 1.00 0.00 O ATOM 1640 NE2 GLN A 104 -0.782 9.721 -7.930 1.00 0.00 N ATOM 0 H GLN A 104 3.023 8.609 -6.750 1.00 0.00 H new ATOM 0 HA GLN A 104 2.726 5.981 -7.788 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.822 8.647 -8.935 1.00 0.00 H new ATOM 0 HB3 GLN A 104 1.118 7.074 -9.255 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.463 6.930 -6.829 1.00 0.00 H new ATOM 0 HG3 GLN A 104 1.061 8.563 -6.608 1.00 0.00 H new ATOM 0 HE21 GLN A 104 0.007 10.311 -7.667 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -1.639 10.144 -8.285 1.00 0.00 H new ATOM 1649 N MET A 105 4.820 7.908 -9.278 1.00 0.00 N ATOM 1650 CA MET A 105 5.753 8.040 -10.382 1.00 0.00 C ATOM 1651 C MET A 105 6.969 7.176 -10.123 1.00 0.00 C ATOM 1652 O MET A 105 7.764 6.917 -11.024 1.00 0.00 O ATOM 1653 CB MET A 105 6.212 9.474 -10.518 1.00 0.00 C ATOM 1654 CG MET A 105 5.085 10.491 -10.430 1.00 0.00 C ATOM 1655 SD MET A 105 5.638 12.200 -10.623 1.00 0.00 S ATOM 1656 CE MET A 105 6.231 12.170 -12.311 1.00 0.00 C ATOM 0 H MET A 105 4.977 8.563 -8.512 1.00 0.00 H new ATOM 0 HA MET A 105 5.249 7.728 -11.297 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.943 9.687 -9.738 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.722 9.593 -11.474 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.345 10.268 -11.198 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.586 10.386 -9.467 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.306 13.190 -12.689 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.213 11.698 -12.343 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.536 11.604 -12.931 1.00 0.00 H new ATOM 1666 N LEU A 106 7.114 6.741 -8.886 1.00 0.00 N ATOM 1667 CA LEU A 106 8.238 5.894 -8.459 1.00 0.00 C ATOM 1668 C LEU A 106 8.405 4.641 -9.318 1.00 0.00 C ATOM 1669 O LEU A 106 9.510 4.383 -9.783 1.00 0.00 O ATOM 1670 CB LEU A 106 8.172 5.541 -6.964 1.00 0.00 C ATOM 1671 CG LEU A 106 8.828 6.518 -5.972 1.00 0.00 C ATOM 1672 CD1 LEU A 106 8.461 7.966 -6.247 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.452 6.146 -4.556 1.00 0.00 C ATOM 0 H LEU A 106 6.458 6.960 -8.137 1.00 0.00 H new ATOM 0 HA LEU A 106 9.131 6.500 -8.612 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.122 5.437 -6.689 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.635 4.563 -6.829 1.00 0.00 H new ATOM 0 HG LEU A 106 9.907 6.433 -6.103 1.00 0.00 H new ATOM 0 HD11 LEU A 106 8.951 8.610 -5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.787 8.240 -7.250 1.00 0.00 H new ATOM 0 HD13 LEU A 106 7.381 8.088 -6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.920 6.842 -3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.369 6.193 -4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 106 8.795 5.134 -4.342 1.00 0.00 H new ATOM 1685 N PRO A 107 7.330 3.845 -9.587 1.00 0.00 N ATOM 1686 CA PRO A 107 7.445 2.673 -10.441 1.00 0.00 C ATOM 1687 C PRO A 107 7.874 3.010 -11.862 1.00 0.00 C ATOM 1688 O PRO A 107 8.452 2.171 -12.556 1.00 0.00 O ATOM 1689 CB PRO A 107 6.047 2.044 -10.422 1.00 0.00 C ATOM 1690 CG PRO A 107 5.149 3.137 -9.990 1.00 0.00 C ATOM 1691 CD PRO A 107 5.954 3.977 -9.054 1.00 0.00 C ATOM 0 HA PRO A 107 8.220 1.999 -10.076 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.768 1.668 -11.407 1.00 0.00 H new ATOM 0 HB3 PRO A 107 6.002 1.199 -9.734 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.806 3.722 -10.843 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.261 2.742 -9.496 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.619 5.014 -9.053 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.883 3.618 -8.027 1.00 0.00 H new ATOM 1699 N ASN A 108 7.651 4.240 -12.274 1.00 0.00 N ATOM 1700 CA ASN A 108 7.979 4.650 -13.584 1.00 0.00 C ATOM 1701 C ASN A 108 9.444 5.069 -13.624 1.00 0.00 C ATOM 1702 O ASN A 108 10.181 4.719 -14.540 1.00 0.00 O ATOM 1703 CB ASN A 108 7.085 5.816 -13.982 1.00 0.00 C ATOM 1704 CG ASN A 108 5.586 5.551 -13.820 1.00 0.00 C ATOM 1705 OD1 ASN A 108 5.117 4.416 -13.890 1.00 0.00 O ATOM 1706 ND2 ASN A 108 4.831 6.597 -13.614 1.00 0.00 N ATOM 0 H ASN A 108 7.236 4.970 -11.694 1.00 0.00 H new ATOM 0 HA ASN A 108 7.824 3.829 -14.285 1.00 0.00 H new ATOM 0 HB2 ASN A 108 7.354 6.685 -13.382 1.00 0.00 H new ATOM 0 HB3 ASN A 108 7.285 6.072 -15.022 1.00 0.00 H new ATOM 0 HD21 ASN A 108 3.823 6.485 -13.506 1.00 0.00 H new ATOM 0 HD22 ASN A 108 5.250 7.526 -13.561 1.00 0.00 H new ATOM 1713 N GLN A 109 9.866 5.779 -12.592 1.00 0.00 N ATOM 1714 CA GLN A 109 11.234 6.295 -12.486 1.00 0.00 C ATOM 1715 C GLN A 109 12.227 5.199 -12.114 1.00 0.00 C ATOM 1716 O GLN A 109 13.301 5.099 -12.687 1.00 0.00 O ATOM 1717 CB GLN A 109 11.296 7.404 -11.435 1.00 0.00 C ATOM 1718 CG GLN A 109 10.434 8.611 -11.745 1.00 0.00 C ATOM 1719 CD GLN A 109 10.456 9.626 -10.630 1.00 0.00 C ATOM 1720 OE1 GLN A 109 9.559 9.481 -9.703 1.00 0.00 O flip ATOM 1721 NE2 GLN A 109 11.284 10.530 -10.603 1.00 0.00 N flip ATOM 0 H GLN A 109 9.273 6.019 -11.797 1.00 0.00 H new ATOM 0 HA GLN A 109 11.509 6.689 -13.465 1.00 0.00 H new ATOM 0 HB2 GLN A 109 10.991 6.993 -10.473 1.00 0.00 H new ATOM 0 HB3 GLN A 109 12.331 7.730 -11.329 1.00 0.00 H new ATOM 0 HG2 GLN A 109 10.783 9.078 -12.666 1.00 0.00 H new ATOM 0 HG3 GLN A 109 9.408 8.288 -11.920 1.00 0.00 H new ATOM 0 HE21 GLN A 109 11.974 10.612 -11.350 1.00 0.00 H new ATOM 0 HE22 GLN A 109 11.283 11.200 -9.834 1.00 0.00 H new ATOM 1730 N CYS A 110 11.839 4.358 -11.185 1.00 0.00 N ATOM 1731 CA CYS A 110 12.724 3.329 -10.639 1.00 0.00 C ATOM 1732 C CYS A 110 12.722 2.082 -11.535 1.00 0.00 C ATOM 1733 O CYS A 110 13.439 1.112 -11.273 1.00 0.00 O ATOM 1734 CB CYS A 110 12.258 2.982 -9.216 1.00 0.00 C ATOM 1735 SG CYS A 110 13.460 2.090 -8.160 1.00 0.00 S ATOM 0 H CYS A 110 10.903 4.359 -10.779 1.00 0.00 H new ATOM 0 HA CYS A 110 13.746 3.705 -10.604 1.00 0.00 H new ATOM 0 HB2 CYS A 110 11.982 3.908 -8.712 1.00 0.00 H new ATOM 0 HB3 CYS A 110 11.354 2.377 -9.290 1.00 0.00 H new ATOM 1740 N ASN A 111 11.908 2.132 -12.596 1.00 0.00 N ATOM 1741 CA ASN A 111 11.754 1.035 -13.564 1.00 0.00 C ATOM 1742 C ASN A 111 11.243 -0.198 -12.863 1.00 0.00 C ATOM 1743 O ASN A 111 11.929 -1.216 -12.704 1.00 0.00 O ATOM 1744 CB ASN A 111 13.042 0.741 -14.365 1.00 0.00 C ATOM 1745 CG ASN A 111 12.812 -0.226 -15.532 1.00 0.00 C ATOM 1746 OD1 ASN A 111 12.931 -1.449 -15.396 1.00 0.00 O ATOM 1747 ND2 ASN A 111 12.467 0.309 -16.674 1.00 0.00 N ATOM 0 H ASN A 111 11.330 2.944 -12.811 1.00 0.00 H new ATOM 0 HA ASN A 111 11.021 1.356 -14.304 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.446 1.677 -14.750 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.793 0.322 -13.695 1.00 0.00 H new ATOM 0 HD21 ASN A 111 12.288 -0.286 -17.483 1.00 0.00 H new ATOM 0 HD22 ASN A 111 12.377 1.322 -16.756 1.00 0.00 H new ATOM 1754 N LEU A 112 10.091 -0.051 -12.317 1.00 0.00 N ATOM 1755 CA LEU A 112 9.458 -1.125 -11.634 1.00 0.00 C ATOM 1756 C LEU A 112 8.488 -1.799 -12.552 1.00 0.00 C ATOM 1757 O LEU A 112 8.024 -1.204 -13.517 1.00 0.00 O ATOM 1758 CB LEU A 112 8.793 -0.633 -10.356 1.00 0.00 C ATOM 1759 CG LEU A 112 9.721 0.165 -9.438 1.00 0.00 C ATOM 1760 CD1 LEU A 112 9.053 0.526 -8.120 1.00 0.00 C ATOM 1761 CD2 LEU A 112 11.025 -0.583 -9.219 1.00 0.00 C ATOM 0 H LEU A 112 9.557 0.818 -12.330 1.00 0.00 H new ATOM 0 HA LEU A 112 10.206 -1.860 -11.336 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.938 -0.011 -10.620 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.406 -1.491 -9.807 1.00 0.00 H new ATOM 0 HG LEU A 112 9.948 1.107 -9.936 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.750 1.092 -7.502 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.167 1.131 -8.315 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.762 -0.386 -7.598 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.673 -0.001 -8.564 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.817 -1.549 -8.759 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.522 -0.737 -10.177 1.00 0.00 H new ATOM 1773 N GLN A 113 8.172 -3.023 -12.246 1.00 0.00 N ATOM 1774 CA GLN A 113 7.331 -3.886 -13.082 1.00 0.00 C ATOM 1775 C GLN A 113 5.856 -3.598 -12.874 1.00 0.00 C ATOM 1776 O GLN A 113 5.021 -4.488 -12.834 1.00 0.00 O ATOM 1777 CB GLN A 113 7.701 -5.315 -12.766 1.00 0.00 C ATOM 1778 CG GLN A 113 9.169 -5.521 -13.016 1.00 0.00 C ATOM 1779 CD GLN A 113 9.720 -6.849 -12.578 1.00 0.00 C ATOM 1780 OE1 GLN A 113 10.990 -6.850 -12.255 1.00 0.00 O flip ATOM 1781 NE2 GLN A 113 9.023 -7.868 -12.539 1.00 0.00 N flip ATOM 0 H GLN A 113 8.491 -3.477 -11.390 1.00 0.00 H new ATOM 0 HA GLN A 113 7.508 -3.692 -14.140 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.463 -5.542 -11.727 1.00 0.00 H new ATOM 0 HB3 GLN A 113 7.117 -5.998 -13.383 1.00 0.00 H new ATOM 0 HG2 GLN A 113 9.358 -5.403 -14.083 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.721 -4.732 -12.505 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.038 -7.822 -12.799 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.433 -8.755 -12.247 1.00 0.00 H new ATOM 1790 N CYS A 114 5.577 -2.341 -12.832 1.00 0.00 N ATOM 1791 CA CYS A 114 4.302 -1.757 -12.602 1.00 0.00 C ATOM 1792 C CYS A 114 4.449 -0.321 -13.066 1.00 0.00 C ATOM 1793 O CYS A 114 5.562 0.217 -13.024 1.00 0.00 O ATOM 1794 CB CYS A 114 4.019 -1.752 -11.102 1.00 0.00 C ATOM 1795 SG CYS A 114 3.721 -3.374 -10.289 1.00 0.00 S ATOM 0 H CYS A 114 6.299 -1.634 -12.970 1.00 0.00 H new ATOM 0 HA CYS A 114 3.501 -2.291 -13.112 1.00 0.00 H new ATOM 0 HB2 CYS A 114 4.862 -1.275 -10.602 1.00 0.00 H new ATOM 0 HB3 CYS A 114 3.147 -1.122 -10.926 1.00 0.00 H new ATOM 1800 N SER A 115 3.413 0.286 -13.533 1.00 0.00 N ATOM 1801 CA SER A 115 3.488 1.660 -13.955 1.00 0.00 C ATOM 1802 C SER A 115 2.217 2.373 -13.581 1.00 0.00 C ATOM 1803 O SER A 115 1.130 1.797 -13.660 1.00 0.00 O ATOM 1804 CB SER A 115 3.768 1.750 -15.461 1.00 0.00 C ATOM 1805 OG SER A 115 5.009 1.105 -15.769 1.00 0.00 O ATOM 0 H SER A 115 2.493 -0.143 -13.636 1.00 0.00 H new ATOM 0 HA SER A 115 4.317 2.150 -13.445 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.957 1.281 -16.018 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.805 2.795 -15.770 1.00 0.00 H new ATOM 0 HG SER A 115 5.179 1.166 -16.732 1.00 0.00 H new ATOM 1811 N ILE A 116 2.351 3.583 -13.124 1.00 0.00 N ATOM 1812 CA ILE A 116 1.227 4.363 -12.709 1.00 0.00 C ATOM 1813 C ILE A 116 1.218 5.625 -13.526 1.00 0.00 C ATOM 1814 O ILE A 116 0.393 5.738 -14.455 1.00 0.00 O ATOM 1815 CB ILE A 116 1.268 4.714 -11.194 1.00 0.00 C ATOM 1816 CG1 ILE A 116 1.447 3.443 -10.353 1.00 0.00 C ATOM 1817 CG2 ILE A 116 -0.027 5.415 -10.800 1.00 0.00 C ATOM 1818 CD1 ILE A 116 1.622 3.678 -8.869 1.00 0.00 C ATOM 1819 OXT ILE A 116 2.094 6.478 -13.322 1.00 0.00 O ATOM 0 H ILE A 116 3.249 4.058 -13.029 1.00 0.00 H new ATOM 0 HA ILE A 116 0.320 3.779 -12.867 1.00 0.00 H new ATOM 0 HB ILE A 116 2.114 5.376 -11.008 1.00 0.00 H new ATOM 0 HG12 ILE A 116 0.580 2.800 -10.504 1.00 0.00 H new ATOM 0 HG13 ILE A 116 2.315 2.899 -10.724 1.00 0.00 H new ATOM 0 HG21 ILE A 116 0.001 5.661 -9.739 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -0.137 6.330 -11.382 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -0.872 4.756 -10.997 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.741 2.721 -8.361 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.507 4.291 -8.700 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.744 4.191 -8.476 1.00 0.00 H new