USER MOD reduce.3.24.130724 H: found=0, std=0, add=1149, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1147 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 110 TYR OH : rot 165:sc= 0.863 USER MOD Set 1.2: A 123 LYS NZ :NH3+ 178:sc= 0.956 (180deg=-0.247) USER MOD Set 2.1: A 97 ASN : amide:sc= -0.168 K(o=-0.13,f=-3.6!) USER MOD Set 2.2: A 101 LYS NZ :NH3+ -165:sc= 0.033 (180deg=0) USER MOD Set 3.1: A 75 TYR OH : rot 67:sc= 0.37 USER MOD Set 3.2: A 81 ASN : amide:sc= -4.79! C(o=-4.4!,f=-13!) USER MOD Set 4.1: A 21 ASN : amide:sc= 0.0843 K(o=1.2,f=-0.46) USER MOD Set 4.2: A 25 ASN : amide:sc= 1.15 K(o=1.2,f=-0.02) USER MOD Set 5.1: A 4 GLN : amide:sc= 0.471 K(o=0.17,f=-0.34) USER MOD Set 5.2: A 78 SER OG : rot -110:sc= -0.298 USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.0101) USER MOD Single : A 1 MET N :NH3+ -109:sc= 0.247 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -176:sc= -0.212 (180deg=-0.284) USER MOD Single : A 6 CYS SG : rot 100:sc= -0.0164 USER MOD Single : A 9 GLN : amide:sc= -1.39! X(o=-1.4!,f=-0.95) USER MOD Single : A 11 LYS NZ :NH3+ 157:sc= 1.18 (180deg=0.775) USER MOD Single : A 13 MET CE :methyl -166:sc= -0.84 (180deg=-1.09) USER MOD Single : A 14 THR OG1 : rot -170:sc= 0 USER MOD Single : A 15 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0189 USER MOD Single : A 27 GLN : amide:sc= 0.965 K(o=0.96,f=-0.2) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 33:sc= 1.05 USER MOD Single : A 40 MET CE :methyl 178:sc= 0 (180deg=-0.00737) USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 1.23 (180deg=0.86) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot -145:sc= 1.12 USER MOD Single : A 54 GLN : amide:sc= -0.129 X(o=-0.13,f=0.2) USER MOD Single : A 60 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.19) USER MOD Single : A 63 GLN : amide:sc= 0.37 X(o=0.37,f=-0.077) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -56:sc= 0.761 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl 164:sc= -0.604 (180deg=-1.16) USER MOD Single : A 90 THR OG1 : rot -34:sc= 0.197 USER MOD Single : A 91 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.0433 X(o=-0.043,f=0) USER MOD Single : A 100 SER OG : rot 79:sc= 1.23 USER MOD Single : A 103 THR OG1 : rot -78:sc= 1.26 USER MOD Single : A 105 THR OG1 : rot 89:sc= 1.01 USER MOD Single : A 106 ASN : amide:sc= -0.489 K(o=-0.49,f=-5.5!) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot -6:sc= 0.392 USER MOD Single : A 117 THR OG1 : rot 150:sc= -0.266 USER MOD Single : A 118 SER OG : rot -65:sc= 0.68 USER MOD Single : A 119 LYS NZ :NH3+ -163:sc= 2.39 (180deg=1.85) USER MOD Single : A 136 LYS NZ :NH3+ 164:sc= 1.12 (180deg=0.996) USER MOD Single : A 144 HIS : no HE2:sc= 0.82 K(o=0.82,f=-2.8!) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 GLN : amide:sc= -0.64 K(o=-0.64,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.585 -6.079 10.153 1.00 7.34 N ATOM 2 CA MET A 1 -15.800 -5.958 8.913 1.00 7.28 C ATOM 3 C MET A 1 -14.331 -5.935 9.314 1.00 6.94 C ATOM 4 O MET A 1 -14.060 -5.623 10.471 1.00 7.45 O ATOM 5 CB MET A 1 -16.191 -4.685 8.146 1.00 7.79 C ATOM 6 CG MET A 1 -17.350 -4.965 7.179 1.00 8.05 C ATOM 7 SD MET A 1 -18.202 -3.511 6.516 1.00 8.98 S ATOM 8 CE MET A 1 -19.163 -3.000 7.959 1.00 10.73 C ATOM 0 H1 MET A 1 -17.006 -7.028 10.206 1.00 7.34 H new ATOM 0 H2 MET A 1 -15.963 -5.930 10.973 1.00 7.34 H new ATOM 0 H3 MET A 1 -17.340 -5.364 10.157 1.00 7.34 H new ATOM 0 HA MET A 1 -15.995 -6.797 8.245 1.00 7.28 H new ATOM 0 HB2 MET A 1 -16.480 -3.905 8.850 1.00 7.79 H new ATOM 0 HB3 MET A 1 -15.331 -4.311 7.591 1.00 7.79 H new ATOM 0 HG2 MET A 1 -16.966 -5.549 6.343 1.00 8.05 H new ATOM 0 HG3 MET A 1 -18.083 -5.588 7.692 1.00 8.05 H new ATOM 0 HE1 MET A 1 -19.786 -2.145 7.697 1.00 10.73 H new ATOM 0 HE2 MET A 1 -19.797 -3.825 8.284 1.00 10.73 H new ATOM 0 HE3 MET A 1 -18.486 -2.722 8.767 1.00 10.73 H new ATOM 20 N ALA A 2 -13.426 -6.279 8.395 1.00 6.23 N ATOM 21 CA ALA A 2 -11.991 -6.343 8.641 1.00 6.01 C ATOM 22 C ALA A 2 -11.264 -5.398 7.678 1.00 4.66 C ATOM 23 O ALA A 2 -10.599 -5.859 6.750 1.00 4.35 O ATOM 24 CB ALA A 2 -11.525 -7.795 8.475 1.00 6.66 C ATOM 0 H ALA A 2 -13.680 -6.526 7.439 1.00 6.23 H new ATOM 0 HA ALA A 2 -11.759 -6.022 9.657 1.00 6.01 H new ATOM 0 HB1 ALA A 2 -10.452 -7.856 8.657 1.00 6.66 H new ATOM 0 HB2 ALA A 2 -12.050 -8.430 9.189 1.00 6.66 H new ATOM 0 HB3 ALA A 2 -11.741 -8.133 7.461 1.00 6.66 H new ATOM 30 N PRO A 3 -11.386 -4.075 7.864 1.00 4.38 N ATOM 31 CA PRO A 3 -10.631 -3.128 7.071 1.00 3.47 C ATOM 32 C PRO A 3 -9.150 -3.241 7.437 1.00 3.42 C ATOM 33 O PRO A 3 -8.804 -3.556 8.576 1.00 4.15 O ATOM 34 CB PRO A 3 -11.206 -1.758 7.424 1.00 4.34 C ATOM 35 CG PRO A 3 -11.656 -1.939 8.873 1.00 5.65 C ATOM 36 CD PRO A 3 -12.145 -3.389 8.899 1.00 5.55 C ATOM 0 HA PRO A 3 -10.705 -3.306 5.998 1.00 3.47 H new ATOM 0 HB2 PRO A 3 -10.459 -0.970 7.328 1.00 4.34 H new ATOM 0 HB3 PRO A 3 -12.038 -1.489 6.773 1.00 4.34 H new ATOM 0 HG2 PRO A 3 -10.837 -1.776 9.574 1.00 5.65 H new ATOM 0 HG3 PRO A 3 -12.449 -1.240 9.140 1.00 5.65 H new ATOM 0 HD2 PRO A 3 -11.976 -3.843 9.876 1.00 5.55 H new ATOM 0 HD3 PRO A 3 -13.216 -3.445 8.703 1.00 5.55 H new ATOM 44 N GLN A 4 -8.284 -2.969 6.466 1.00 2.80 N ATOM 45 CA GLN A 4 -6.839 -2.943 6.623 1.00 2.99 C ATOM 46 C GLN A 4 -6.420 -1.483 6.790 1.00 2.80 C ATOM 47 O GLN A 4 -7.261 -0.597 6.702 1.00 2.88 O ATOM 48 CB GLN A 4 -6.181 -3.576 5.391 1.00 3.22 C ATOM 49 CG GLN A 4 -6.852 -4.896 4.984 1.00 3.28 C ATOM 50 CD GLN A 4 -6.797 -5.948 6.085 1.00 4.14 C ATOM 51 OE1 GLN A 4 -5.730 -6.249 6.614 1.00 4.83 O ATOM 52 NE2 GLN A 4 -7.943 -6.503 6.467 1.00 4.53 N ATOM 0 H GLN A 4 -8.583 -2.753 5.515 1.00 2.80 H new ATOM 0 HA GLN A 4 -6.523 -3.514 7.496 1.00 2.99 H new ATOM 0 HB2 GLN A 4 -6.227 -2.876 4.557 1.00 3.22 H new ATOM 0 HB3 GLN A 4 -5.126 -3.756 5.598 1.00 3.22 H new ATOM 0 HG2 GLN A 4 -7.893 -4.704 4.722 1.00 3.28 H new ATOM 0 HG3 GLN A 4 -6.365 -5.286 4.090 1.00 3.28 H new ATOM 0 HE21 GLN A 4 -8.816 -6.236 6.012 1.00 4.53 H new ATOM 0 HE22 GLN A 4 -7.950 -7.196 7.215 1.00 4.53 H new ATOM 61 N LYS A 5 -5.139 -1.209 7.041 1.00 2.64 N ATOM 62 CA LYS A 5 -4.672 0.135 7.365 1.00 2.60 C ATOM 63 C LYS A 5 -4.121 0.851 6.132 1.00 2.43 C ATOM 64 O LYS A 5 -3.489 0.207 5.299 1.00 2.39 O ATOM 65 CB LYS A 5 -3.648 0.089 8.510 1.00 2.62 C ATOM 66 CG LYS A 5 -2.471 -0.864 8.250 1.00 2.90 C ATOM 67 CD LYS A 5 -1.389 -0.643 9.317 1.00 3.36 C ATOM 68 CE LYS A 5 -0.178 -1.563 9.105 1.00 4.32 C ATOM 69 NZ LYS A 5 -0.436 -2.951 9.536 1.00 4.32 N ATOM 0 H LYS A 5 -4.400 -1.912 7.025 1.00 2.64 H new ATOM 0 HA LYS A 5 -5.526 0.718 7.708 1.00 2.60 H new ATOM 0 HB2 LYS A 5 -3.260 1.093 8.679 1.00 2.62 H new ATOM 0 HB3 LYS A 5 -4.154 -0.215 9.426 1.00 2.62 H new ATOM 0 HG2 LYS A 5 -2.814 -1.898 8.274 1.00 2.90 H new ATOM 0 HG3 LYS A 5 -2.059 -0.688 7.257 1.00 2.90 H new ATOM 0 HD2 LYS A 5 -1.063 0.397 9.293 1.00 3.36 H new ATOM 0 HD3 LYS A 5 -1.812 -0.822 10.305 1.00 3.36 H new ATOM 0 HE2 LYS A 5 0.096 -1.559 8.050 1.00 4.32 H new ATOM 0 HE3 LYS A 5 0.675 -1.168 9.657 1.00 4.32 H new ATOM 0 HZ1 LYS A 5 0.433 -3.513 9.435 1.00 4.32 H new ATOM 0 HZ2 LYS A 5 -0.737 -2.955 10.532 1.00 4.32 H new ATOM 0 HZ3 LYS A 5 -1.186 -3.364 8.946 1.00 4.32 H new ATOM 83 N CYS A 6 -4.365 2.165 6.020 1.00 2.37 N ATOM 84 CA CYS A 6 -3.771 2.999 4.982 1.00 2.24 C ATOM 85 C CYS A 6 -3.381 4.379 5.515 1.00 2.09 C ATOM 86 O CYS A 6 -4.209 5.106 6.066 1.00 1.97 O ATOM 87 CB CYS A 6 -4.720 3.150 3.804 1.00 2.16 C ATOM 88 SG CYS A 6 -3.973 4.310 2.629 1.00 2.67 S ATOM 0 H CYS A 6 -4.983 2.674 6.652 1.00 2.37 H new ATOM 0 HA CYS A 6 -2.863 2.497 4.648 1.00 2.24 H new ATOM 0 HB2 CYS A 6 -4.894 2.185 3.328 1.00 2.16 H new ATOM 0 HB3 CYS A 6 -5.689 3.519 4.140 1.00 2.16 H new ATOM 0 HG CYS A 6 -3.411 3.647 1.662 1.00 2.67 H new ATOM 94 N PHE A 7 -2.122 4.742 5.298 1.00 2.10 N ATOM 95 CA PHE A 7 -1.511 6.019 5.609 1.00 1.91 C ATOM 96 C PHE A 7 -1.513 6.867 4.345 1.00 1.53 C ATOM 97 O PHE A 7 -0.662 6.707 3.467 1.00 1.48 O ATOM 98 CB PHE A 7 -0.063 5.801 6.060 1.00 2.13 C ATOM 99 CG PHE A 7 0.093 5.313 7.484 1.00 2.37 C ATOM 100 CD1 PHE A 7 0.161 6.247 8.532 1.00 3.46 C ATOM 101 CD2 PHE A 7 0.206 3.938 7.762 1.00 2.49 C ATOM 102 CE1 PHE A 7 0.319 5.811 9.858 1.00 3.72 C ATOM 103 CE2 PHE A 7 0.399 3.504 9.084 1.00 2.86 C ATOM 104 CZ PHE A 7 0.447 4.439 10.134 1.00 3.09 C ATOM 0 H PHE A 7 -1.456 4.100 4.868 1.00 2.10 H new ATOM 0 HA PHE A 7 -2.066 6.514 6.406 1.00 1.91 H new ATOM 0 HB2 PHE A 7 0.406 5.080 5.391 1.00 2.13 H new ATOM 0 HB3 PHE A 7 0.482 6.739 5.951 1.00 2.13 H new ATOM 0 HD1 PHE A 7 0.092 7.303 8.317 1.00 3.46 H new ATOM 0 HD2 PHE A 7 0.144 3.217 6.960 1.00 2.49 H new ATOM 0 HE1 PHE A 7 0.342 6.529 10.664 1.00 3.72 H new ATOM 0 HE2 PHE A 7 0.511 2.451 9.295 1.00 2.86 H new ATOM 0 HZ PHE A 7 0.582 4.103 11.151 1.00 3.09 H new ATOM 114 N LEU A 8 -2.447 7.810 4.251 1.00 1.32 N ATOM 115 CA LEU A 8 -2.473 8.761 3.160 1.00 1.04 C ATOM 116 C LEU A 8 -2.336 10.157 3.732 1.00 0.94 C ATOM 117 O LEU A 8 -2.389 10.381 4.939 1.00 1.11 O ATOM 118 CB LEU A 8 -3.687 8.469 2.248 1.00 1.13 C ATOM 119 CG LEU A 8 -4.641 9.598 1.827 1.00 2.00 C ATOM 120 CD1 LEU A 8 -4.354 10.082 0.406 1.00 3.09 C ATOM 121 CD2 LEU A 8 -6.097 9.116 1.893 1.00 2.44 C ATOM 0 H LEU A 8 -3.200 7.930 4.928 1.00 1.32 H new ATOM 0 HA LEU A 8 -1.625 8.666 2.482 1.00 1.04 H new ATOM 0 HB2 LEU A 8 -3.301 8.018 1.334 1.00 1.13 H new ATOM 0 HB3 LEU A 8 -4.289 7.710 2.748 1.00 1.13 H new ATOM 0 HG LEU A 8 -4.483 10.425 2.519 1.00 2.00 H new ATOM 0 HD11 LEU A 8 -5.049 10.880 0.146 1.00 3.09 H new ATOM 0 HD12 LEU A 8 -3.332 10.458 0.349 1.00 3.09 H new ATOM 0 HD13 LEU A 8 -4.475 9.254 -0.292 1.00 3.09 H new ATOM 0 HD21 LEU A 8 -6.762 9.925 1.592 1.00 2.44 H new ATOM 0 HD22 LEU A 8 -6.230 8.268 1.221 1.00 2.44 H new ATOM 0 HD23 LEU A 8 -6.334 8.812 2.913 1.00 2.44 H new ATOM 133 N GLN A 9 -2.082 11.114 2.855 1.00 0.76 N ATOM 134 CA GLN A 9 -2.027 12.504 3.241 1.00 0.75 C ATOM 135 C GLN A 9 -2.676 13.336 2.151 1.00 0.80 C ATOM 136 O GLN A 9 -2.495 13.078 0.958 1.00 1.01 O ATOM 137 CB GLN A 9 -0.616 12.927 3.685 1.00 0.81 C ATOM 138 CG GLN A 9 0.590 12.325 2.944 1.00 1.28 C ATOM 139 CD GLN A 9 1.098 13.227 1.830 1.00 1.25 C ATOM 140 OE1 GLN A 9 2.223 13.712 1.875 1.00 1.97 O ATOM 141 NE2 GLN A 9 0.278 13.484 0.822 1.00 1.19 N ATOM 0 H GLN A 9 -1.910 10.946 1.864 1.00 0.76 H new ATOM 0 HA GLN A 9 -2.611 12.685 4.143 1.00 0.75 H new ATOM 0 HB2 GLN A 9 -0.551 14.012 3.600 1.00 0.81 H new ATOM 0 HB3 GLN A 9 -0.513 12.683 4.742 1.00 0.81 H new ATOM 0 HG2 GLN A 9 1.395 12.143 3.655 1.00 1.28 H new ATOM 0 HG3 GLN A 9 0.310 11.358 2.525 1.00 1.28 H new ATOM 0 HE21 GLN A 9 -0.654 13.070 0.804 1.00 1.19 H new ATOM 0 HE22 GLN A 9 0.579 14.096 0.063 1.00 1.19 H new ATOM 150 N ILE A 10 -3.483 14.299 2.587 1.00 0.77 N ATOM 151 CA ILE A 10 -4.217 15.184 1.727 1.00 0.84 C ATOM 152 C ILE A 10 -3.363 16.437 1.616 1.00 0.85 C ATOM 153 O ILE A 10 -2.808 16.878 2.620 1.00 0.88 O ATOM 154 CB ILE A 10 -5.579 15.496 2.369 1.00 0.99 C ATOM 155 CG1 ILE A 10 -6.413 14.238 2.655 1.00 0.97 C ATOM 156 CG2 ILE A 10 -6.364 16.492 1.517 1.00 1.15 C ATOM 157 CD1 ILE A 10 -6.685 13.365 1.428 1.00 0.92 C ATOM 0 H ILE A 10 -3.640 14.479 3.579 1.00 0.77 H new ATOM 0 HA ILE A 10 -4.412 14.756 0.744 1.00 0.84 H new ATOM 0 HB ILE A 10 -5.369 15.950 3.337 1.00 0.99 H new ATOM 0 HG12 ILE A 10 -5.897 13.638 3.405 1.00 0.97 H new ATOM 0 HG13 ILE A 10 -7.366 14.540 3.089 1.00 0.97 H new ATOM 0 HG21 ILE A 10 -7.324 16.698 1.990 1.00 1.15 H new ATOM 0 HG22 ILE A 10 -5.798 17.419 1.426 1.00 1.15 H new ATOM 0 HG23 ILE A 10 -6.531 16.071 0.526 1.00 1.15 H new ATOM 0 HD11 ILE A 10 -7.279 12.500 1.722 1.00 0.92 H new ATOM 0 HD12 ILE A 10 -7.231 13.944 0.683 1.00 0.92 H new ATOM 0 HD13 ILE A 10 -5.739 13.028 1.004 1.00 0.92 H new ATOM 169 N LYS A 11 -3.245 17.008 0.421 1.00 0.91 N ATOM 170 CA LYS A 11 -2.623 18.310 0.254 1.00 0.97 C ATOM 171 C LYS A 11 -3.723 19.330 -0.048 1.00 1.05 C ATOM 172 O LYS A 11 -4.531 19.129 -0.955 1.00 1.05 O ATOM 173 CB LYS A 11 -1.523 18.241 -0.809 1.00 1.06 C ATOM 174 CG LYS A 11 -0.177 17.834 -0.191 1.00 1.28 C ATOM 175 CD LYS A 11 0.915 17.826 -1.268 1.00 1.76 C ATOM 176 CE LYS A 11 0.858 16.552 -2.127 1.00 2.55 C ATOM 177 NZ LYS A 11 1.383 16.797 -3.482 1.00 3.58 N ATOM 0 H LYS A 11 -3.574 16.585 -0.447 1.00 0.91 H new ATOM 0 HA LYS A 11 -2.120 18.633 1.166 1.00 0.97 H new ATOM 0 HB2 LYS A 11 -1.804 17.524 -1.580 1.00 1.06 H new ATOM 0 HB3 LYS A 11 -1.424 19.211 -1.297 1.00 1.06 H new ATOM 0 HG2 LYS A 11 0.091 18.528 0.605 1.00 1.28 H new ATOM 0 HG3 LYS A 11 -0.260 16.846 0.262 1.00 1.28 H new ATOM 0 HD2 LYS A 11 0.802 18.701 -1.908 1.00 1.76 H new ATOM 0 HD3 LYS A 11 1.894 17.902 -0.794 1.00 1.76 H new ATOM 0 HE2 LYS A 11 1.436 15.762 -1.648 1.00 2.55 H new ATOM 0 HE3 LYS A 11 -0.172 16.200 -2.192 1.00 2.55 H new ATOM 0 HZ1 LYS A 11 1.697 15.898 -3.900 1.00 3.58 H new ATOM 0 HZ2 LYS A 11 0.636 17.212 -4.074 1.00 3.58 H new ATOM 0 HZ3 LYS A 11 2.188 17.454 -3.429 1.00 3.58 H new ATOM 191 N GLY A 12 -3.766 20.393 0.764 1.00 1.31 N ATOM 192 CA GLY A 12 -4.699 21.502 0.663 1.00 1.50 C ATOM 193 C GLY A 12 -5.298 21.791 2.038 1.00 1.27 C ATOM 194 O GLY A 12 -4.751 22.590 2.792 1.00 1.39 O ATOM 0 H GLY A 12 -3.117 20.500 1.544 1.00 1.31 H new ATOM 0 HA2 GLY A 12 -4.188 22.387 0.284 1.00 1.50 H new ATOM 0 HA3 GLY A 12 -5.490 21.262 -0.047 1.00 1.50 H new ATOM 198 N MET A 13 -6.401 21.102 2.353 1.00 1.32 N ATOM 199 CA MET A 13 -7.273 21.336 3.500 1.00 1.42 C ATOM 200 C MET A 13 -8.000 22.681 3.416 1.00 1.71 C ATOM 201 O MET A 13 -7.462 23.679 2.949 1.00 2.68 O ATOM 202 CB MET A 13 -6.605 21.169 4.870 1.00 1.48 C ATOM 203 CG MET A 13 -5.861 19.843 5.056 1.00 1.30 C ATOM 204 SD MET A 13 -4.170 19.773 4.410 1.00 2.68 S ATOM 205 CE MET A 13 -3.667 18.207 5.140 1.00 2.15 C ATOM 0 H MET A 13 -6.723 20.323 1.779 1.00 1.32 H new ATOM 0 HA MET A 13 -8.008 20.534 3.430 1.00 1.42 H new ATOM 0 HB2 MET A 13 -5.903 21.989 5.020 1.00 1.48 H new ATOM 0 HB3 MET A 13 -7.367 21.255 5.645 1.00 1.48 H new ATOM 0 HG2 MET A 13 -5.830 19.615 6.121 1.00 1.30 H new ATOM 0 HG3 MET A 13 -6.443 19.055 4.578 1.00 1.30 H new ATOM 0 HE1 MET A 13 -2.584 18.103 5.068 1.00 2.15 H new ATOM 0 HE2 MET A 13 -3.965 18.182 6.188 1.00 2.15 H new ATOM 0 HE3 MET A 13 -4.146 17.386 4.606 1.00 2.15 H new ATOM 215 N THR A 14 -9.245 22.694 3.897 1.00 1.28 N ATOM 216 CA THR A 14 -10.058 23.896 4.054 1.00 1.55 C ATOM 217 C THR A 14 -10.230 24.244 5.537 1.00 1.45 C ATOM 218 O THR A 14 -10.618 25.361 5.866 1.00 1.96 O ATOM 219 CB THR A 14 -11.425 23.656 3.395 1.00 1.92 C ATOM 220 OG1 THR A 14 -11.278 22.817 2.265 1.00 2.23 O ATOM 221 CG2 THR A 14 -12.098 24.962 2.964 1.00 2.39 C ATOM 0 H THR A 14 -9.726 21.845 4.195 1.00 1.28 H new ATOM 0 HA THR A 14 -9.560 24.738 3.572 1.00 1.55 H new ATOM 0 HB THR A 14 -12.060 23.179 4.141 1.00 1.92 H new ATOM 0 HG1 THR A 14 -12.119 22.796 1.762 1.00 2.23 H new ATOM 0 HG21 THR A 14 -13.061 24.740 2.504 1.00 2.39 H new ATOM 0 HG22 THR A 14 -12.250 25.598 3.836 1.00 2.39 H new ATOM 0 HG23 THR A 14 -11.462 25.479 2.245 1.00 2.39 H new ATOM 229 N CYS A 15 -9.998 23.270 6.428 1.00 1.22 N ATOM 230 CA CYS A 15 -10.278 23.327 7.860 1.00 1.51 C ATOM 231 C CYS A 15 -11.780 23.415 8.148 1.00 1.66 C ATOM 232 O CYS A 15 -12.333 22.466 8.693 1.00 1.86 O ATOM 233 CB CYS A 15 -9.480 24.421 8.575 1.00 2.19 C ATOM 234 SG CYS A 15 -9.864 24.295 10.337 1.00 2.96 S ATOM 0 H CYS A 15 -9.589 22.378 6.150 1.00 1.22 H new ATOM 0 HA CYS A 15 -9.933 22.382 8.280 1.00 1.51 H new ATOM 0 HB2 CYS A 15 -8.411 24.292 8.404 1.00 2.19 H new ATOM 0 HB3 CYS A 15 -9.748 25.406 8.192 1.00 2.19 H new ATOM 0 HG CYS A 15 -9.206 25.206 10.991 1.00 2.96 H new ATOM 240 N ALA A 16 -12.418 24.523 7.740 1.00 2.88 N ATOM 241 CA ALA A 16 -13.815 24.895 7.966 1.00 4.26 C ATOM 242 C ALA A 16 -14.718 23.701 8.290 1.00 3.65 C ATOM 243 O ALA A 16 -15.125 23.523 9.435 1.00 3.67 O ATOM 244 CB ALA A 16 -14.326 25.688 6.755 1.00 5.85 C ATOM 0 H ALA A 16 -11.927 25.236 7.201 1.00 2.88 H new ATOM 0 HA ALA A 16 -13.854 25.524 8.856 1.00 4.26 H new ATOM 0 HB1 ALA A 16 -15.367 25.969 6.917 1.00 5.85 H new ATOM 0 HB2 ALA A 16 -13.723 26.587 6.628 1.00 5.85 H new ATOM 0 HB3 ALA A 16 -14.251 25.072 5.859 1.00 5.85 H new ATOM 250 N SER A 17 -15.026 22.876 7.285 1.00 3.16 N ATOM 251 CA SER A 17 -15.622 21.565 7.522 1.00 2.37 C ATOM 252 C SER A 17 -15.485 20.618 6.322 1.00 1.96 C ATOM 253 O SER A 17 -16.172 19.599 6.265 1.00 1.86 O ATOM 254 CB SER A 17 -17.099 21.727 7.934 1.00 2.61 C ATOM 255 OG SER A 17 -17.379 20.938 9.072 1.00 2.58 O ATOM 0 H SER A 17 -14.871 23.096 6.301 1.00 3.16 H new ATOM 0 HA SER A 17 -15.068 21.100 8.337 1.00 2.37 H new ATOM 0 HB2 SER A 17 -17.311 22.774 8.148 1.00 2.61 H new ATOM 0 HB3 SER A 17 -17.748 21.432 7.110 1.00 2.61 H new ATOM 0 HG SER A 17 -18.319 21.050 9.325 1.00 2.58 H new ATOM 261 N CYS A 18 -14.653 20.925 5.320 1.00 1.81 N ATOM 262 CA CYS A 18 -14.667 20.117 4.104 1.00 1.60 C ATOM 263 C CYS A 18 -13.984 18.775 4.339 1.00 1.26 C ATOM 264 O CYS A 18 -14.492 17.745 3.898 1.00 1.15 O ATOM 265 CB CYS A 18 -14.103 20.864 2.898 1.00 1.81 C ATOM 266 SG CYS A 18 -15.282 22.101 2.305 1.00 2.25 S ATOM 0 H CYS A 18 -13.987 21.697 5.326 1.00 1.81 H new ATOM 0 HA CYS A 18 -15.709 19.913 3.856 1.00 1.60 H new ATOM 0 HB2 CYS A 18 -13.165 21.349 3.170 1.00 1.81 H new ATOM 0 HB3 CYS A 18 -13.877 20.158 2.099 1.00 1.81 H new ATOM 0 HG CYS A 18 -14.779 22.724 1.281 1.00 2.25 H new ATOM 272 N VAL A 19 -12.854 18.764 5.062 1.00 1.23 N ATOM 273 CA VAL A 19 -12.197 17.513 5.393 1.00 1.11 C ATOM 274 C VAL A 19 -13.109 16.705 6.330 1.00 1.00 C ATOM 275 O VAL A 19 -13.156 15.479 6.266 1.00 0.88 O ATOM 276 CB VAL A 19 -10.809 17.813 5.959 1.00 1.40 C ATOM 277 CG1 VAL A 19 -10.114 16.553 6.482 1.00 1.69 C ATOM 278 CG2 VAL A 19 -9.932 18.449 4.868 1.00 2.01 C ATOM 0 H VAL A 19 -12.390 19.599 5.419 1.00 1.23 H new ATOM 0 HA VAL A 19 -12.035 16.890 4.513 1.00 1.11 H new ATOM 0 HB VAL A 19 -10.941 18.499 6.796 1.00 1.40 H new ATOM 0 HG11 VAL A 19 -9.131 16.816 6.874 1.00 1.69 H new ATOM 0 HG12 VAL A 19 -10.715 16.109 7.276 1.00 1.69 H new ATOM 0 HG13 VAL A 19 -10.000 15.836 5.669 1.00 1.69 H new ATOM 0 HG21 VAL A 19 -8.943 18.662 5.274 1.00 2.01 H new ATOM 0 HG22 VAL A 19 -9.839 17.760 4.028 1.00 2.01 H new ATOM 0 HG23 VAL A 19 -10.391 19.377 4.527 1.00 2.01 H new ATOM 288 N SER A 20 -13.888 17.399 7.164 1.00 1.20 N ATOM 289 CA SER A 20 -14.931 16.772 7.958 1.00 1.26 C ATOM 290 C SER A 20 -15.980 16.113 7.053 1.00 1.10 C ATOM 291 O SER A 20 -16.258 14.932 7.205 1.00 1.10 O ATOM 292 CB SER A 20 -15.535 17.793 8.926 1.00 1.58 C ATOM 293 OG SER A 20 -14.491 18.579 9.474 1.00 2.21 O ATOM 0 H SER A 20 -13.809 18.406 7.303 1.00 1.20 H new ATOM 0 HA SER A 20 -14.500 15.972 8.561 1.00 1.26 H new ATOM 0 HB2 SER A 20 -16.252 18.428 8.405 1.00 1.58 H new ATOM 0 HB3 SER A 20 -16.080 17.283 9.720 1.00 1.58 H new ATOM 0 HG SER A 20 -14.868 19.237 10.094 1.00 2.21 H new ATOM 299 N ASN A 21 -16.544 16.830 6.077 1.00 1.11 N ATOM 300 CA ASN A 21 -17.486 16.248 5.119 1.00 1.06 C ATOM 301 C ASN A 21 -16.886 15.003 4.451 1.00 0.85 C ATOM 302 O ASN A 21 -17.541 13.961 4.349 1.00 0.80 O ATOM 303 CB ASN A 21 -17.906 17.311 4.094 1.00 1.27 C ATOM 304 CG ASN A 21 -18.428 16.685 2.805 1.00 1.71 C ATOM 305 OD1 ASN A 21 -19.590 16.302 2.707 1.00 2.96 O ATOM 306 ND2 ASN A 21 -17.558 16.553 1.808 1.00 1.42 N ATOM 0 H ASN A 21 -16.362 17.823 5.930 1.00 1.11 H new ATOM 0 HA ASN A 21 -18.381 15.920 5.647 1.00 1.06 H new ATOM 0 HB2 ASN A 21 -18.678 17.947 4.527 1.00 1.27 H new ATOM 0 HB3 ASN A 21 -17.054 17.952 3.867 1.00 1.27 H new ATOM 0 HD21 ASN A 21 -17.850 16.123 0.930 1.00 1.42 H new ATOM 0 HD22 ASN A 21 -16.599 16.882 1.921 1.00 1.42 H new ATOM 313 N ILE A 22 -15.626 15.115 4.019 1.00 0.79 N ATOM 314 CA ILE A 22 -14.834 14.014 3.476 1.00 0.73 C ATOM 315 C ILE A 22 -14.991 12.735 4.316 1.00 0.72 C ATOM 316 O ILE A 22 -15.092 11.648 3.750 1.00 0.81 O ATOM 317 CB ILE A 22 -13.372 14.483 3.269 1.00 0.83 C ATOM 318 CG1 ILE A 22 -13.131 14.829 1.791 1.00 1.24 C ATOM 319 CG2 ILE A 22 -12.291 13.521 3.788 1.00 1.38 C ATOM 320 CD1 ILE A 22 -11.842 15.617 1.531 1.00 1.62 C ATOM 0 H ILE A 22 -15.118 15.999 4.039 1.00 0.79 H new ATOM 0 HA ILE A 22 -15.210 13.732 2.492 1.00 0.73 H new ATOM 0 HB ILE A 22 -13.266 15.373 3.889 1.00 0.83 H new ATOM 0 HG12 ILE A 22 -13.101 13.905 1.214 1.00 1.24 H new ATOM 0 HG13 ILE A 22 -13.978 15.408 1.422 1.00 1.24 H new ATOM 0 HG21 ILE A 22 -11.305 13.943 3.594 1.00 1.38 H new ATOM 0 HG22 ILE A 22 -12.419 13.375 4.861 1.00 1.38 H new ATOM 0 HG23 ILE A 22 -12.382 12.562 3.278 1.00 1.38 H new ATOM 0 HD11 ILE A 22 -11.748 15.820 0.464 1.00 1.62 H new ATOM 0 HD12 ILE A 22 -11.875 16.559 2.078 1.00 1.62 H new ATOM 0 HD13 ILE A 22 -10.985 15.033 1.866 1.00 1.62 H new ATOM 332 N GLU A 23 -15.061 12.856 5.650 1.00 0.90 N ATOM 333 CA GLU A 23 -15.209 11.719 6.549 1.00 1.06 C ATOM 334 C GLU A 23 -16.387 10.836 6.144 1.00 0.83 C ATOM 335 O GLU A 23 -16.223 9.649 5.853 1.00 0.77 O ATOM 336 CB GLU A 23 -15.343 12.215 8.001 1.00 1.54 C ATOM 337 CG GLU A 23 -15.369 11.089 9.048 1.00 2.63 C ATOM 338 CD GLU A 23 -16.713 10.848 9.739 1.00 3.92 C ATOM 339 OE1 GLU A 23 -17.673 11.616 9.512 1.00 4.84 O ATOM 340 OE2 GLU A 23 -16.752 9.849 10.490 1.00 4.59 O ATOM 0 H GLU A 23 -15.016 13.754 6.131 1.00 0.90 H new ATOM 0 HA GLU A 23 -14.315 11.100 6.478 1.00 1.06 H new ATOM 0 HB2 GLU A 23 -14.512 12.884 8.223 1.00 1.54 H new ATOM 0 HB3 GLU A 23 -16.257 12.801 8.091 1.00 1.54 H new ATOM 0 HG2 GLU A 23 -15.060 10.162 8.564 1.00 2.63 H new ATOM 0 HG3 GLU A 23 -14.625 11.313 9.812 1.00 2.63 H new ATOM 347 N ARG A 24 -17.580 11.429 6.102 1.00 0.91 N ATOM 348 CA ARG A 24 -18.796 10.694 5.805 1.00 1.02 C ATOM 349 C ARG A 24 -18.762 10.210 4.364 1.00 0.97 C ATOM 350 O ARG A 24 -19.216 9.107 4.069 1.00 1.21 O ATOM 351 CB ARG A 24 -20.030 11.560 6.068 1.00 1.35 C ATOM 352 CG ARG A 24 -20.146 11.832 7.570 1.00 1.41 C ATOM 353 CD ARG A 24 -21.502 12.439 7.931 1.00 2.09 C ATOM 354 NE ARG A 24 -21.687 12.406 9.389 1.00 2.65 N ATOM 355 CZ ARG A 24 -22.837 12.679 10.021 1.00 3.46 C ATOM 356 NH1 ARG A 24 -23.873 13.168 9.328 1.00 4.01 N ATOM 357 NH2 ARG A 24 -22.951 12.455 11.335 1.00 4.32 N ATOM 0 H ARG A 24 -17.724 12.424 6.272 1.00 0.91 H new ATOM 0 HA ARG A 24 -18.858 9.827 6.462 1.00 1.02 H new ATOM 0 HB2 ARG A 24 -19.952 12.500 5.521 1.00 1.35 H new ATOM 0 HB3 ARG A 24 -20.926 11.055 5.708 1.00 1.35 H new ATOM 0 HG2 ARG A 24 -20.005 10.902 8.120 1.00 1.41 H new ATOM 0 HG3 ARG A 24 -19.350 12.509 7.880 1.00 1.41 H new ATOM 0 HD2 ARG A 24 -21.559 13.466 7.571 1.00 2.09 H new ATOM 0 HD3 ARG A 24 -22.302 11.884 7.441 1.00 2.09 H new ATOM 0 HE ARG A 24 -20.881 12.157 9.962 1.00 2.65 H new ATOM 0 HH11 ARG A 24 -23.784 13.331 8.325 1.00 4.01 H new ATOM 0 HH12 ARG A 24 -24.751 13.378 9.803 1.00 4.01 H new ATOM 0 HH21 ARG A 24 -22.162 12.076 11.858 1.00 4.32 H new ATOM 0 HH22 ARG A 24 -23.827 12.664 11.814 1.00 4.32 H new ATOM 371 N ASN A 25 -18.220 11.040 3.472 1.00 0.82 N ATOM 372 CA ASN A 25 -18.098 10.680 2.069 1.00 0.90 C ATOM 373 C ASN A 25 -17.329 9.365 1.947 1.00 0.91 C ATOM 374 O ASN A 25 -17.875 8.399 1.418 1.00 1.04 O ATOM 375 CB ASN A 25 -17.469 11.821 1.263 1.00 0.91 C ATOM 376 CG ASN A 25 -18.482 12.917 0.939 1.00 1.06 C ATOM 377 OD1 ASN A 25 -18.904 13.066 -0.201 1.00 1.37 O ATOM 378 ND2 ASN A 25 -18.881 13.698 1.937 1.00 1.00 N ATOM 0 H ASN A 25 -17.860 11.966 3.702 1.00 0.82 H new ATOM 0 HA ASN A 25 -19.088 10.523 1.640 1.00 0.90 H new ATOM 0 HB2 ASN A 25 -16.640 12.249 1.826 1.00 0.91 H new ATOM 0 HB3 ASN A 25 -17.054 11.425 0.336 1.00 0.91 H new ATOM 0 HD21 ASN A 25 -19.555 14.444 1.763 1.00 1.00 H new ATOM 0 HD22 ASN A 25 -18.513 13.552 2.877 1.00 1.00 H new ATOM 385 N LEU A 26 -16.104 9.282 2.480 1.00 0.84 N ATOM 386 CA LEU A 26 -15.364 8.023 2.429 1.00 0.93 C ATOM 387 C LEU A 26 -16.109 6.923 3.171 1.00 0.92 C ATOM 388 O LEU A 26 -16.205 5.812 2.664 1.00 1.00 O ATOM 389 CB LEU A 26 -13.932 8.132 2.963 1.00 0.97 C ATOM 390 CG LEU A 26 -12.962 8.642 1.890 1.00 1.03 C ATOM 391 CD1 LEU A 26 -13.112 10.153 1.750 1.00 1.58 C ATOM 392 CD2 LEU A 26 -11.531 8.263 2.278 1.00 2.41 C ATOM 0 H LEU A 26 -15.617 10.052 2.939 1.00 0.84 H new ATOM 0 HA LEU A 26 -15.289 7.768 1.372 1.00 0.93 H new ATOM 0 HB2 LEU A 26 -13.914 8.806 3.820 1.00 0.97 H new ATOM 0 HB3 LEU A 26 -13.601 7.156 3.318 1.00 0.97 H new ATOM 0 HG LEU A 26 -13.190 8.183 0.928 1.00 1.03 H new ATOM 0 HD11 LEU A 26 -12.423 10.518 0.988 1.00 1.58 H new ATOM 0 HD12 LEU A 26 -14.135 10.392 1.459 1.00 1.58 H new ATOM 0 HD13 LEU A 26 -12.885 10.631 2.703 1.00 1.58 H new ATOM 0 HD21 LEU A 26 -10.840 8.624 1.517 1.00 2.41 H new ATOM 0 HD22 LEU A 26 -11.282 8.715 3.238 1.00 2.41 H new ATOM 0 HD23 LEU A 26 -11.450 7.179 2.356 1.00 2.41 H new ATOM 404 N GLN A 27 -16.677 7.210 4.343 1.00 0.88 N ATOM 405 CA GLN A 27 -17.423 6.189 5.074 1.00 0.98 C ATOM 406 C GLN A 27 -18.540 5.567 4.236 1.00 1.01 C ATOM 407 O GLN A 27 -18.980 4.461 4.542 1.00 1.12 O ATOM 408 CB GLN A 27 -17.959 6.743 6.401 1.00 1.06 C ATOM 409 CG GLN A 27 -17.435 5.918 7.585 1.00 1.34 C ATOM 410 CD GLN A 27 -17.356 6.751 8.852 1.00 1.38 C ATOM 411 OE1 GLN A 27 -17.996 6.443 9.854 1.00 1.89 O ATOM 412 NE2 GLN A 27 -16.550 7.803 8.793 1.00 1.45 N ATOM 0 H GLN A 27 -16.636 8.122 4.798 1.00 0.88 H new ATOM 0 HA GLN A 27 -16.722 5.385 5.300 1.00 0.98 H new ATOM 0 HB2 GLN A 27 -17.657 7.784 6.515 1.00 1.06 H new ATOM 0 HB3 GLN A 27 -19.049 6.727 6.394 1.00 1.06 H new ATOM 0 HG2 GLN A 27 -18.089 5.062 7.751 1.00 1.34 H new ATOM 0 HG3 GLN A 27 -16.448 5.523 7.346 1.00 1.34 H new ATOM 0 HE21 GLN A 27 -16.043 8.010 7.932 1.00 1.45 H new ATOM 0 HE22 GLN A 27 -16.437 8.405 9.608 1.00 1.45 H new ATOM 421 N LYS A 28 -19.006 6.271 3.199 1.00 0.97 N ATOM 422 CA LYS A 28 -20.003 5.763 2.271 1.00 1.07 C ATOM 423 C LYS A 28 -19.459 5.543 0.850 1.00 1.15 C ATOM 424 O LYS A 28 -20.255 5.365 -0.070 1.00 1.34 O ATOM 425 CB LYS A 28 -21.215 6.693 2.309 1.00 1.13 C ATOM 426 CG LYS A 28 -21.733 6.852 3.751 1.00 1.14 C ATOM 427 CD LYS A 28 -23.261 6.986 3.767 1.00 1.37 C ATOM 428 CE LYS A 28 -23.744 8.235 3.007 1.00 2.25 C ATOM 429 NZ LYS A 28 -25.104 8.054 2.463 1.00 3.15 N ATOM 0 H LYS A 28 -18.694 7.218 2.984 1.00 0.97 H new ATOM 0 HA LYS A 28 -20.305 4.766 2.591 1.00 1.07 H new ATOM 0 HB2 LYS A 28 -20.944 7.668 1.905 1.00 1.13 H new ATOM 0 HB3 LYS A 28 -22.006 6.294 1.675 1.00 1.13 H new ATOM 0 HG2 LYS A 28 -21.432 5.991 4.348 1.00 1.14 H new ATOM 0 HG3 LYS A 28 -21.281 7.731 4.210 1.00 1.14 H new ATOM 0 HD2 LYS A 28 -23.707 6.097 3.321 1.00 1.37 H new ATOM 0 HD3 LYS A 28 -23.609 7.034 4.799 1.00 1.37 H new ATOM 0 HE2 LYS A 28 -23.732 9.095 3.676 1.00 2.25 H new ATOM 0 HE3 LYS A 28 -23.053 8.455 2.193 1.00 2.25 H new ATOM 0 HZ1 LYS A 28 -25.394 8.916 1.958 1.00 3.15 H new ATOM 0 HZ2 LYS A 28 -25.110 7.249 1.805 1.00 3.15 H new ATOM 0 HZ3 LYS A 28 -25.768 7.869 3.242 1.00 3.15 H new ATOM 443 N GLU A 29 -18.134 5.497 0.669 1.00 1.08 N ATOM 444 CA GLU A 29 -17.494 5.007 -0.547 1.00 1.30 C ATOM 445 C GLU A 29 -17.780 3.504 -0.669 1.00 1.57 C ATOM 446 O GLU A 29 -18.535 3.068 -1.535 1.00 1.82 O ATOM 447 CB GLU A 29 -15.985 5.316 -0.461 1.00 1.28 C ATOM 448 CG GLU A 29 -15.119 4.767 -1.603 1.00 1.89 C ATOM 449 CD GLU A 29 -15.172 5.649 -2.841 1.00 1.54 C ATOM 450 OE1 GLU A 29 -16.137 5.479 -3.614 1.00 2.82 O ATOM 451 OE2 GLU A 29 -14.235 6.465 -2.979 1.00 2.37 O ATOM 0 H GLU A 29 -17.469 5.806 1.378 1.00 1.08 H new ATOM 0 HA GLU A 29 -17.883 5.496 -1.440 1.00 1.30 H new ATOM 0 HB2 GLU A 29 -15.858 6.398 -0.423 1.00 1.28 H new ATOM 0 HB3 GLU A 29 -15.606 4.917 0.480 1.00 1.28 H new ATOM 0 HG2 GLU A 29 -14.086 4.681 -1.264 1.00 1.89 H new ATOM 0 HG3 GLU A 29 -15.455 3.762 -1.860 1.00 1.89 H new ATOM 458 N ALA A 30 -17.178 2.709 0.222 1.00 1.63 N ATOM 459 CA ALA A 30 -17.252 1.252 0.233 1.00 2.00 C ATOM 460 C ALA A 30 -16.635 0.757 1.548 1.00 2.12 C ATOM 461 O ALA A 30 -16.906 1.355 2.587 1.00 2.20 O ATOM 462 CB ALA A 30 -16.555 0.682 -1.003 1.00 2.22 C ATOM 0 H ALA A 30 -16.606 3.080 0.981 1.00 1.63 H new ATOM 0 HA ALA A 30 -18.285 0.907 0.186 1.00 2.00 H new ATOM 0 HB1 ALA A 30 -16.616 -0.406 -0.986 1.00 2.22 H new ATOM 0 HB2 ALA A 30 -17.043 1.058 -1.902 1.00 2.22 H new ATOM 0 HB3 ALA A 30 -15.509 0.987 -1.004 1.00 2.22 H new ATOM 468 N GLY A 31 -15.777 -0.274 1.546 1.00 2.32 N ATOM 469 CA GLY A 31 -15.279 -0.899 2.764 1.00 2.52 C ATOM 470 C GLY A 31 -14.198 -0.096 3.507 1.00 2.37 C ATOM 471 O GLY A 31 -13.322 -0.668 4.153 1.00 2.60 O ATOM 0 H GLY A 31 -15.412 -0.694 0.691 1.00 2.32 H new ATOM 0 HA2 GLY A 31 -16.118 -1.064 3.440 1.00 2.52 H new ATOM 0 HA3 GLY A 31 -14.875 -1.880 2.513 1.00 2.52 H new ATOM 475 N VAL A 32 -14.300 1.238 3.502 1.00 2.17 N ATOM 476 CA VAL A 32 -13.421 2.152 4.218 1.00 2.04 C ATOM 477 C VAL A 32 -14.187 2.794 5.374 1.00 2.19 C ATOM 478 O VAL A 32 -14.612 3.944 5.308 1.00 2.77 O ATOM 479 CB VAL A 32 -12.751 3.122 3.230 1.00 1.77 C ATOM 480 CG1 VAL A 32 -13.705 3.940 2.361 1.00 1.61 C ATOM 481 CG2 VAL A 32 -11.774 4.063 3.946 1.00 2.05 C ATOM 0 H VAL A 32 -15.027 1.723 2.977 1.00 2.17 H new ATOM 0 HA VAL A 32 -12.589 1.626 4.687 1.00 2.04 H new ATOM 0 HB VAL A 32 -12.215 2.465 2.545 1.00 1.77 H new ATOM 0 HG11 VAL A 32 -13.130 4.590 1.702 1.00 1.61 H new ATOM 0 HG12 VAL A 32 -14.319 3.267 1.762 1.00 1.61 H new ATOM 0 HG13 VAL A 32 -14.348 4.547 2.998 1.00 1.61 H new ATOM 0 HG21 VAL A 32 -11.318 4.735 3.219 1.00 2.05 H new ATOM 0 HG22 VAL A 32 -12.312 4.647 4.693 1.00 2.05 H new ATOM 0 HG23 VAL A 32 -10.997 3.476 4.436 1.00 2.05 H new ATOM 491 N LEU A 33 -14.362 2.036 6.459 1.00 1.84 N ATOM 492 CA LEU A 33 -15.204 2.454 7.578 1.00 1.79 C ATOM 493 C LEU A 33 -14.302 2.895 8.728 1.00 1.86 C ATOM 494 O LEU A 33 -14.432 2.436 9.862 1.00 2.00 O ATOM 495 CB LEU A 33 -16.136 1.315 8.044 1.00 2.00 C ATOM 496 CG LEU A 33 -17.013 0.623 6.986 1.00 1.70 C ATOM 497 CD1 LEU A 33 -17.601 1.588 5.948 1.00 3.41 C ATOM 498 CD2 LEU A 33 -16.267 -0.541 6.323 1.00 2.11 C ATOM 0 H LEU A 33 -13.927 1.122 6.585 1.00 1.84 H new ATOM 0 HA LEU A 33 -15.837 3.280 7.253 1.00 1.79 H new ATOM 0 HB2 LEU A 33 -15.519 0.552 8.518 1.00 2.00 H new ATOM 0 HB3 LEU A 33 -16.795 1.716 8.814 1.00 2.00 H new ATOM 0 HG LEU A 33 -17.870 0.216 7.522 1.00 1.70 H new ATOM 0 HD11 LEU A 33 -18.207 1.030 5.235 1.00 3.41 H new ATOM 0 HD12 LEU A 33 -18.222 2.329 6.451 1.00 3.41 H new ATOM 0 HD13 LEU A 33 -16.791 2.092 5.420 1.00 3.41 H new ATOM 0 HD21 LEU A 33 -16.912 -1.010 5.580 1.00 2.11 H new ATOM 0 HD22 LEU A 33 -15.366 -0.166 5.837 1.00 2.11 H new ATOM 0 HD23 LEU A 33 -15.992 -1.275 7.080 1.00 2.11 H new ATOM 510 N SER A 34 -13.359 3.787 8.437 1.00 1.76 N ATOM 511 CA SER A 34 -12.490 4.401 9.423 1.00 1.76 C ATOM 512 C SER A 34 -11.856 5.621 8.780 1.00 1.61 C ATOM 513 O SER A 34 -11.215 5.465 7.743 1.00 1.77 O ATOM 514 CB SER A 34 -11.392 3.418 9.807 1.00 1.80 C ATOM 515 OG SER A 34 -11.835 2.494 10.781 1.00 1.83 O ATOM 0 H SER A 34 -13.178 4.107 7.486 1.00 1.76 H new ATOM 0 HA SER A 34 -13.054 4.678 10.313 1.00 1.76 H new ATOM 0 HB2 SER A 34 -11.059 2.880 8.920 1.00 1.80 H new ATOM 0 HB3 SER A 34 -10.531 3.966 10.190 1.00 1.80 H new ATOM 0 HG SER A 34 -12.788 2.310 10.648 1.00 1.83 H new ATOM 521 N VAL A 35 -11.977 6.788 9.406 1.00 1.50 N ATOM 522 CA VAL A 35 -11.357 8.016 8.948 1.00 1.40 C ATOM 523 C VAL A 35 -10.598 8.600 10.132 1.00 1.59 C ATOM 524 O VAL A 35 -11.223 8.972 11.122 1.00 1.75 O ATOM 525 CB VAL A 35 -12.444 8.962 8.424 1.00 1.35 C ATOM 526 CG1 VAL A 35 -11.871 10.359 8.165 1.00 2.81 C ATOM 527 CG2 VAL A 35 -13.025 8.398 7.117 1.00 2.17 C ATOM 0 H VAL A 35 -12.520 6.903 10.262 1.00 1.50 H new ATOM 0 HA VAL A 35 -10.660 7.848 8.127 1.00 1.40 H new ATOM 0 HB VAL A 35 -13.228 9.042 9.177 1.00 1.35 H new ATOM 0 HG11 VAL A 35 -12.660 11.013 7.794 1.00 2.81 H new ATOM 0 HG12 VAL A 35 -11.470 10.765 9.093 1.00 2.81 H new ATOM 0 HG13 VAL A 35 -11.075 10.294 7.423 1.00 2.81 H new ATOM 0 HG21 VAL A 35 -13.798 9.069 6.743 1.00 2.17 H new ATOM 0 HG22 VAL A 35 -12.232 8.309 6.375 1.00 2.17 H new ATOM 0 HG23 VAL A 35 -13.458 7.415 7.305 1.00 2.17 H new ATOM 537 N LEU A 36 -9.266 8.666 10.050 1.00 1.68 N ATOM 538 CA LEU A 36 -8.447 9.317 11.063 1.00 1.92 C ATOM 539 C LEU A 36 -7.609 10.390 10.362 1.00 1.88 C ATOM 540 O LEU A 36 -6.429 10.187 10.075 1.00 1.98 O ATOM 541 CB LEU A 36 -7.637 8.249 11.824 1.00 2.21 C ATOM 542 CG LEU A 36 -7.216 8.653 13.244 1.00 2.82 C ATOM 543 CD1 LEU A 36 -6.586 7.431 13.928 1.00 2.71 C ATOM 544 CD2 LEU A 36 -6.204 9.803 13.242 1.00 3.65 C ATOM 0 H LEU A 36 -8.730 8.268 9.278 1.00 1.68 H new ATOM 0 HA LEU A 36 -9.037 9.825 11.826 1.00 1.92 H new ATOM 0 HB2 LEU A 36 -8.230 7.336 11.882 1.00 2.21 H new ATOM 0 HB3 LEU A 36 -6.742 8.013 11.248 1.00 2.21 H new ATOM 0 HG LEU A 36 -8.102 8.996 13.779 1.00 2.82 H new ATOM 0 HD11 LEU A 36 -6.280 7.698 14.939 1.00 2.71 H new ATOM 0 HD12 LEU A 36 -7.315 6.622 13.971 1.00 2.71 H new ATOM 0 HD13 LEU A 36 -5.715 7.105 13.360 1.00 2.71 H new ATOM 0 HD21 LEU A 36 -5.936 10.054 14.268 1.00 3.65 H new ATOM 0 HD22 LEU A 36 -5.310 9.500 12.697 1.00 3.65 H new ATOM 0 HD23 LEU A 36 -6.645 10.675 12.759 1.00 3.65 H new ATOM 556 N VAL A 37 -8.224 11.547 10.081 1.00 1.76 N ATOM 557 CA VAL A 37 -7.503 12.690 9.535 1.00 1.77 C ATOM 558 C VAL A 37 -7.156 13.643 10.665 1.00 2.03 C ATOM 559 O VAL A 37 -8.026 14.067 11.421 1.00 2.37 O ATOM 560 CB VAL A 37 -8.262 13.426 8.419 1.00 1.59 C ATOM 561 CG1 VAL A 37 -7.351 14.465 7.747 1.00 2.46 C ATOM 562 CG2 VAL A 37 -8.738 12.448 7.350 1.00 1.64 C ATOM 0 H VAL A 37 -9.221 11.710 10.225 1.00 1.76 H new ATOM 0 HA VAL A 37 -6.597 12.306 9.067 1.00 1.77 H new ATOM 0 HB VAL A 37 -9.121 13.918 8.876 1.00 1.59 H new ATOM 0 HG11 VAL A 37 -7.903 14.978 6.959 1.00 2.46 H new ATOM 0 HG12 VAL A 37 -7.019 15.191 8.489 1.00 2.46 H new ATOM 0 HG13 VAL A 37 -6.484 13.964 7.316 1.00 2.46 H new ATOM 0 HG21 VAL A 37 -9.272 12.992 6.571 1.00 1.64 H new ATOM 0 HG22 VAL A 37 -7.878 11.940 6.913 1.00 1.64 H new ATOM 0 HG23 VAL A 37 -9.404 11.712 7.801 1.00 1.64 H new ATOM 572 N ALA A 38 -5.880 14.011 10.744 1.00 1.92 N ATOM 573 CA ALA A 38 -5.402 14.975 11.709 1.00 2.00 C ATOM 574 C ALA A 38 -5.329 16.324 11.005 1.00 2.03 C ATOM 575 O ALA A 38 -4.262 16.699 10.535 1.00 2.21 O ATOM 576 CB ALA A 38 -4.027 14.529 12.222 1.00 2.16 C ATOM 0 H ALA A 38 -5.151 13.642 10.133 1.00 1.92 H new ATOM 0 HA ALA A 38 -6.066 15.053 12.570 1.00 2.00 H new ATOM 0 HB1 ALA A 38 -3.659 15.251 12.951 1.00 2.16 H new ATOM 0 HB2 ALA A 38 -4.114 13.550 12.693 1.00 2.16 H new ATOM 0 HB3 ALA A 38 -3.329 14.469 11.387 1.00 2.16 H new ATOM 582 N LEU A 39 -6.426 17.088 10.976 1.00 1.93 N ATOM 583 CA LEU A 39 -6.467 18.438 10.393 1.00 2.00 C ATOM 584 C LEU A 39 -5.451 19.420 11.014 1.00 2.33 C ATOM 585 O LEU A 39 -5.333 20.544 10.536 1.00 2.69 O ATOM 586 CB LEU A 39 -7.901 19.009 10.480 1.00 1.92 C ATOM 587 CG LEU A 39 -8.810 18.641 9.306 1.00 2.30 C ATOM 588 CD1 LEU A 39 -10.232 19.098 9.667 1.00 3.10 C ATOM 589 CD2 LEU A 39 -8.312 19.357 8.040 1.00 2.93 C ATOM 0 H LEU A 39 -7.321 16.785 11.360 1.00 1.93 H new ATOM 0 HA LEU A 39 -6.172 18.331 9.349 1.00 2.00 H new ATOM 0 HB2 LEU A 39 -8.362 18.657 11.403 1.00 1.92 H new ATOM 0 HB3 LEU A 39 -7.841 20.095 10.548 1.00 1.92 H new ATOM 0 HG LEU A 39 -8.802 17.568 9.115 1.00 2.30 H new ATOM 0 HD11 LEU A 39 -10.911 18.852 8.851 1.00 3.10 H new ATOM 0 HD12 LEU A 39 -10.557 18.591 10.576 1.00 3.10 H new ATOM 0 HD13 LEU A 39 -10.237 20.176 9.831 1.00 3.10 H new ATOM 0 HD21 LEU A 39 -8.956 19.099 7.199 1.00 2.93 H new ATOM 0 HD22 LEU A 39 -8.337 20.435 8.198 1.00 2.93 H new ATOM 0 HD23 LEU A 39 -7.290 19.045 7.824 1.00 2.93 H new ATOM 601 N MET A 40 -4.724 19.019 12.063 1.00 2.31 N ATOM 602 CA MET A 40 -3.734 19.830 12.760 1.00 2.59 C ATOM 603 C MET A 40 -2.323 19.507 12.253 1.00 2.47 C ATOM 604 O MET A 40 -1.516 20.410 12.058 1.00 2.50 O ATOM 605 CB MET A 40 -3.875 19.562 14.265 1.00 2.90 C ATOM 606 CG MET A 40 -5.128 20.255 14.825 1.00 3.62 C ATOM 607 SD MET A 40 -5.962 19.419 16.199 1.00 3.99 S ATOM 608 CE MET A 40 -4.622 19.309 17.405 1.00 3.35 C ATOM 0 H MET A 40 -4.817 18.084 12.461 1.00 2.31 H new ATOM 0 HA MET A 40 -3.901 20.890 12.567 1.00 2.59 H new ATOM 0 HB2 MET A 40 -3.936 18.489 14.444 1.00 2.90 H new ATOM 0 HB3 MET A 40 -2.989 19.922 14.788 1.00 2.90 H new ATOM 0 HG2 MET A 40 -4.847 21.256 15.153 1.00 3.62 H new ATOM 0 HG3 MET A 40 -5.844 20.375 14.012 1.00 3.62 H new ATOM 0 HE1 MET A 40 -4.993 18.848 18.320 1.00 3.35 H new ATOM 0 HE2 MET A 40 -3.813 18.704 16.996 1.00 3.35 H new ATOM 0 HE3 MET A 40 -4.250 20.309 17.628 1.00 3.35 H new ATOM 618 N ALA A 41 -2.021 18.218 12.056 1.00 2.38 N ATOM 619 CA ALA A 41 -0.711 17.753 11.601 1.00 2.33 C ATOM 620 C ALA A 41 -0.675 17.631 10.075 1.00 2.12 C ATOM 621 O ALA A 41 0.331 17.927 9.439 1.00 2.27 O ATOM 622 CB ALA A 41 -0.393 16.410 12.262 1.00 2.39 C ATOM 0 H ALA A 41 -2.689 17.463 12.211 1.00 2.38 H new ATOM 0 HA ALA A 41 0.046 18.482 11.890 1.00 2.33 H new ATOM 0 HB1 ALA A 41 0.583 16.061 11.925 1.00 2.39 H new ATOM 0 HB2 ALA A 41 -0.381 16.531 13.345 1.00 2.39 H new ATOM 0 HB3 ALA A 41 -1.154 15.680 11.987 1.00 2.39 H new ATOM 628 N GLY A 42 -1.788 17.176 9.502 1.00 1.82 N ATOM 629 CA GLY A 42 -2.048 17.098 8.078 1.00 1.72 C ATOM 630 C GLY A 42 -1.735 15.715 7.525 1.00 1.70 C ATOM 631 O GLY A 42 -0.887 15.577 6.646 1.00 1.74 O ATOM 0 H GLY A 42 -2.573 16.834 10.057 1.00 1.82 H new ATOM 0 HA2 GLY A 42 -3.093 17.339 7.885 1.00 1.72 H new ATOM 0 HA3 GLY A 42 -1.447 17.843 7.557 1.00 1.72 H new ATOM 635 N LYS A 43 -2.413 14.679 8.033 1.00 1.64 N ATOM 636 CA LYS A 43 -2.255 13.306 7.629 1.00 1.58 C ATOM 637 C LYS A 43 -3.663 12.741 7.560 1.00 1.50 C ATOM 638 O LYS A 43 -4.441 13.056 8.462 1.00 1.60 O ATOM 639 CB LYS A 43 -1.489 12.556 8.717 1.00 1.79 C ATOM 640 CG LYS A 43 -0.181 13.247 9.131 1.00 2.84 C ATOM 641 CD LYS A 43 1.005 12.267 9.209 1.00 3.58 C ATOM 642 CE LYS A 43 1.511 12.008 10.632 1.00 3.55 C ATOM 643 NZ LYS A 43 0.534 11.237 11.424 1.00 3.30 N ATOM 0 H LYS A 43 -3.112 14.796 8.766 1.00 1.64 H new ATOM 0 HA LYS A 43 -1.721 13.216 6.683 1.00 1.58 H new ATOM 0 HB2 LYS A 43 -2.128 12.450 9.594 1.00 1.79 H new ATOM 0 HB3 LYS A 43 -1.263 11.550 8.364 1.00 1.79 H new ATOM 0 HG2 LYS A 43 0.051 14.037 8.416 1.00 2.84 H new ATOM 0 HG3 LYS A 43 -0.318 13.725 10.101 1.00 2.84 H new ATOM 0 HD2 LYS A 43 0.708 11.318 8.762 1.00 3.58 H new ATOM 0 HD3 LYS A 43 1.826 12.659 8.609 1.00 3.58 H new ATOM 0 HE2 LYS A 43 2.455 11.465 10.590 1.00 3.55 H new ATOM 0 HE3 LYS A 43 1.712 12.959 11.126 1.00 3.55 H new ATOM 0 HZ1 LYS A 43 0.967 10.949 12.325 1.00 3.30 H new ATOM 0 HZ2 LYS A 43 -0.301 11.827 11.614 1.00 3.30 H new ATOM 0 HZ3 LYS A 43 0.247 10.391 10.892 1.00 3.30 H new ATOM 657 N ALA A 44 -3.987 11.955 6.530 1.00 1.36 N ATOM 658 CA ALA A 44 -5.219 11.191 6.458 1.00 1.32 C ATOM 659 C ALA A 44 -4.920 9.700 6.583 1.00 1.41 C ATOM 660 O ALA A 44 -4.711 9.008 5.585 1.00 1.26 O ATOM 661 CB ALA A 44 -5.979 11.532 5.176 1.00 1.11 C ATOM 0 H ALA A 44 -3.387 11.835 5.714 1.00 1.36 H new ATOM 0 HA ALA A 44 -5.866 11.460 7.293 1.00 1.32 H new ATOM 0 HB1 ALA A 44 -6.901 10.952 5.134 1.00 1.11 H new ATOM 0 HB2 ALA A 44 -6.218 12.595 5.167 1.00 1.11 H new ATOM 0 HB3 ALA A 44 -5.360 11.292 4.311 1.00 1.11 H new ATOM 667 N GLU A 45 -4.983 9.195 7.816 1.00 1.75 N ATOM 668 CA GLU A 45 -4.744 7.798 8.094 1.00 2.05 C ATOM 669 C GLU A 45 -6.146 7.173 8.103 1.00 1.95 C ATOM 670 O GLU A 45 -6.968 7.516 8.951 1.00 1.90 O ATOM 671 CB GLU A 45 -4.002 7.621 9.443 1.00 2.54 C ATOM 672 CG GLU A 45 -3.232 8.827 10.034 1.00 4.20 C ATOM 673 CD GLU A 45 -1.874 9.118 9.406 1.00 5.15 C ATOM 674 OE1 GLU A 45 -1.739 8.950 8.178 1.00 5.68 O ATOM 675 OE2 GLU A 45 -0.977 9.542 10.176 1.00 6.19 O ATOM 0 H GLU A 45 -5.202 9.751 8.642 1.00 1.75 H new ATOM 0 HA GLU A 45 -4.098 7.318 7.358 1.00 2.05 H new ATOM 0 HB2 GLU A 45 -4.735 7.302 10.184 1.00 2.54 H new ATOM 0 HB3 GLU A 45 -3.292 6.802 9.324 1.00 2.54 H new ATOM 0 HG2 GLU A 45 -3.855 9.716 9.935 1.00 4.20 H new ATOM 0 HG3 GLU A 45 -3.089 8.655 11.101 1.00 4.20 H new ATOM 682 N ILE A 46 -6.492 6.328 7.135 1.00 1.96 N ATOM 683 CA ILE A 46 -7.797 5.675 7.104 1.00 1.95 C ATOM 684 C ILE A 46 -7.585 4.170 7.216 1.00 2.17 C ATOM 685 O ILE A 46 -6.444 3.701 7.206 1.00 2.36 O ATOM 686 CB ILE A 46 -8.560 6.085 5.836 1.00 1.75 C ATOM 687 CG1 ILE A 46 -8.067 5.289 4.628 1.00 1.83 C ATOM 688 CG2 ILE A 46 -8.493 7.601 5.627 1.00 2.51 C ATOM 689 CD1 ILE A 46 -8.434 5.922 3.291 1.00 1.65 C ATOM 0 H ILE A 46 -5.882 6.079 6.357 1.00 1.96 H new ATOM 0 HA ILE A 46 -8.414 5.989 7.945 1.00 1.95 H new ATOM 0 HB ILE A 46 -9.615 5.838 5.960 1.00 1.75 H new ATOM 0 HG12 ILE A 46 -6.983 5.188 4.688 1.00 1.83 H new ATOM 0 HG13 ILE A 46 -8.484 4.283 4.671 1.00 1.83 H new ATOM 0 HG21 ILE A 46 -9.040 7.868 4.723 1.00 2.51 H new ATOM 0 HG22 ILE A 46 -8.939 8.106 6.484 1.00 2.51 H new ATOM 0 HG23 ILE A 46 -7.452 7.909 5.525 1.00 2.51 H new ATOM 0 HD11 ILE A 46 -8.052 5.304 2.479 1.00 1.65 H new ATOM 0 HD12 ILE A 46 -9.518 5.999 3.210 1.00 1.65 H new ATOM 0 HD13 ILE A 46 -7.994 6.917 3.227 1.00 1.65 H new ATOM 701 N LYS A 47 -8.672 3.401 7.310 1.00 2.17 N ATOM 702 CA LYS A 47 -8.585 1.952 7.211 1.00 2.37 C ATOM 703 C LYS A 47 -9.630 1.433 6.219 1.00 2.33 C ATOM 704 O LYS A 47 -10.823 1.484 6.519 1.00 2.33 O ATOM 705 CB LYS A 47 -8.673 1.287 8.603 1.00 2.60 C ATOM 706 CG LYS A 47 -7.435 1.567 9.473 1.00 3.71 C ATOM 707 CD LYS A 47 -7.676 2.540 10.629 1.00 4.61 C ATOM 708 CE LYS A 47 -8.383 1.830 11.790 1.00 4.34 C ATOM 709 NZ LYS A 47 -8.551 2.720 12.957 1.00 5.51 N ATOM 0 H LYS A 47 -9.616 3.760 7.454 1.00 2.17 H new ATOM 0 HA LYS A 47 -7.607 1.675 6.818 1.00 2.37 H new ATOM 0 HB2 LYS A 47 -9.563 1.648 9.118 1.00 2.60 H new ATOM 0 HB3 LYS A 47 -8.790 0.210 8.480 1.00 2.60 H new ATOM 0 HG2 LYS A 47 -7.072 0.623 9.880 1.00 3.71 H new ATOM 0 HG3 LYS A 47 -6.644 1.966 8.838 1.00 3.71 H new ATOM 0 HD2 LYS A 47 -6.726 2.951 10.971 1.00 4.61 H new ATOM 0 HD3 LYS A 47 -8.281 3.379 10.286 1.00 4.61 H new ATOM 0 HE2 LYS A 47 -9.359 1.476 11.459 1.00 4.34 H new ATOM 0 HE3 LYS A 47 -7.808 0.951 12.083 1.00 4.34 H new ATOM 0 HZ1 LYS A 47 -9.033 2.204 13.721 1.00 5.51 H new ATOM 0 HZ2 LYS A 47 -7.618 3.038 13.289 1.00 5.51 H new ATOM 0 HZ3 LYS A 47 -9.121 3.546 12.684 1.00 5.51 H new ATOM 723 N TYR A 48 -9.176 0.972 5.043 1.00 2.31 N ATOM 724 CA TYR A 48 -9.988 0.337 4.007 1.00 2.34 C ATOM 725 C TYR A 48 -9.589 -1.111 3.730 1.00 2.56 C ATOM 726 O TYR A 48 -8.504 -1.545 4.110 1.00 2.68 O ATOM 727 CB TYR A 48 -9.919 1.158 2.720 1.00 2.12 C ATOM 728 CG TYR A 48 -8.625 1.079 1.937 1.00 2.14 C ATOM 729 CD1 TYR A 48 -8.448 0.080 0.961 1.00 2.21 C ATOM 730 CD2 TYR A 48 -7.695 2.128 2.034 1.00 3.01 C ATOM 731 CE1 TYR A 48 -7.335 0.121 0.105 1.00 2.20 C ATOM 732 CE2 TYR A 48 -6.598 2.175 1.161 1.00 3.09 C ATOM 733 CZ TYR A 48 -6.385 1.138 0.245 1.00 2.23 C ATOM 734 OH TYR A 48 -5.239 1.100 -0.484 1.00 2.35 O ATOM 0 H TYR A 48 -8.192 1.037 4.783 1.00 2.31 H new ATOM 0 HA TYR A 48 -11.012 0.309 4.381 1.00 2.34 H new ATOM 0 HB2 TYR A 48 -10.732 0.839 2.068 1.00 2.12 H new ATOM 0 HB3 TYR A 48 -10.103 2.203 2.971 1.00 2.12 H new ATOM 0 HD1 TYR A 48 -9.169 -0.719 0.870 1.00 2.21 H new ATOM 0 HD2 TYR A 48 -7.825 2.898 2.780 1.00 3.01 H new ATOM 0 HE1 TYR A 48 -7.213 -0.632 -0.660 1.00 2.20 H new ATOM 0 HE2 TYR A 48 -5.917 3.012 1.196 1.00 3.09 H new ATOM 0 HH TYR A 48 -4.502 1.468 0.046 1.00 2.35 H new ATOM 744 N ASP A 49 -10.459 -1.851 3.042 1.00 2.70 N ATOM 745 CA ASP A 49 -10.283 -3.235 2.623 1.00 2.90 C ATOM 746 C ASP A 49 -9.835 -3.286 1.151 1.00 2.98 C ATOM 747 O ASP A 49 -10.637 -3.089 0.236 1.00 2.89 O ATOM 748 CB ASP A 49 -11.597 -4.003 2.836 1.00 2.92 C ATOM 749 CG ASP A 49 -12.826 -3.365 2.211 1.00 2.67 C ATOM 750 OD1 ASP A 49 -12.719 -2.199 1.764 1.00 3.88 O ATOM 751 OD2 ASP A 49 -13.874 -4.044 2.235 1.00 2.90 O ATOM 0 H ASP A 49 -11.359 -1.474 2.746 1.00 2.70 H new ATOM 0 HA ASP A 49 -9.506 -3.708 3.224 1.00 2.90 H new ATOM 0 HB2 ASP A 49 -11.482 -5.008 2.430 1.00 2.92 H new ATOM 0 HB3 ASP A 49 -11.767 -4.110 3.907 1.00 2.92 H new ATOM 756 N PRO A 50 -8.556 -3.596 0.875 1.00 3.15 N ATOM 757 CA PRO A 50 -7.981 -3.508 -0.460 1.00 3.21 C ATOM 758 C PRO A 50 -8.511 -4.567 -1.429 1.00 3.39 C ATOM 759 O PRO A 50 -7.969 -4.687 -2.529 1.00 3.61 O ATOM 760 CB PRO A 50 -6.465 -3.623 -0.254 1.00 3.41 C ATOM 761 CG PRO A 50 -6.361 -4.509 0.983 1.00 3.47 C ATOM 762 CD PRO A 50 -7.563 -4.073 1.818 1.00 3.29 C ATOM 0 HA PRO A 50 -8.262 -2.568 -0.935 1.00 3.21 H new ATOM 0 HB2 PRO A 50 -5.972 -4.072 -1.116 1.00 3.41 H new ATOM 0 HB3 PRO A 50 -6.003 -2.649 -0.094 1.00 3.41 H new ATOM 0 HG2 PRO A 50 -6.410 -5.567 0.727 1.00 3.47 H new ATOM 0 HG3 PRO A 50 -5.422 -4.352 1.514 1.00 3.47 H new ATOM 0 HD2 PRO A 50 -7.952 -4.905 2.406 1.00 3.29 H new ATOM 0 HD3 PRO A 50 -7.285 -3.288 2.521 1.00 3.29 H new ATOM 770 N GLU A 51 -9.556 -5.314 -1.043 1.00 3.35 N ATOM 771 CA GLU A 51 -10.240 -6.250 -1.918 1.00 3.48 C ATOM 772 C GLU A 51 -11.507 -5.623 -2.512 1.00 3.36 C ATOM 773 O GLU A 51 -11.992 -6.104 -3.536 1.00 3.45 O ATOM 774 CB GLU A 51 -10.557 -7.542 -1.150 1.00 3.65 C ATOM 775 CG GLU A 51 -11.149 -7.295 0.250 1.00 3.93 C ATOM 776 CD GLU A 51 -12.076 -8.425 0.692 1.00 3.80 C ATOM 777 OE1 GLU A 51 -12.976 -8.767 -0.107 1.00 2.99 O ATOM 778 OE2 GLU A 51 -11.883 -8.922 1.821 1.00 5.10 O ATOM 0 H GLU A 51 -9.947 -5.277 -0.102 1.00 3.35 H new ATOM 0 HA GLU A 51 -9.584 -6.498 -2.753 1.00 3.48 H new ATOM 0 HB2 GLU A 51 -11.259 -8.139 -1.733 1.00 3.65 H new ATOM 0 HB3 GLU A 51 -9.644 -8.130 -1.051 1.00 3.65 H new ATOM 0 HG2 GLU A 51 -10.339 -7.189 0.972 1.00 3.93 H new ATOM 0 HG3 GLU A 51 -11.700 -6.355 0.249 1.00 3.93 H new ATOM 785 N VAL A 52 -12.058 -4.575 -1.881 1.00 3.18 N ATOM 786 CA VAL A 52 -13.314 -3.964 -2.296 1.00 3.09 C ATOM 787 C VAL A 52 -13.012 -2.578 -2.853 1.00 2.82 C ATOM 788 O VAL A 52 -13.281 -2.314 -4.023 1.00 2.93 O ATOM 789 CB VAL A 52 -14.311 -3.923 -1.122 1.00 3.17 C ATOM 790 CG1 VAL A 52 -15.613 -3.215 -1.511 1.00 2.64 C ATOM 791 CG2 VAL A 52 -14.667 -5.337 -0.645 1.00 3.86 C ATOM 0 H VAL A 52 -11.637 -4.131 -1.065 1.00 3.18 H new ATOM 0 HA VAL A 52 -13.788 -4.557 -3.078 1.00 3.09 H new ATOM 0 HB VAL A 52 -13.818 -3.371 -0.322 1.00 3.17 H new ATOM 0 HG11 VAL A 52 -16.291 -3.206 -0.658 1.00 2.64 H new ATOM 0 HG12 VAL A 52 -15.394 -2.190 -1.812 1.00 2.64 H new ATOM 0 HG13 VAL A 52 -16.081 -3.744 -2.341 1.00 2.64 H new ATOM 0 HG21 VAL A 52 -15.372 -5.275 0.184 1.00 3.86 H new ATOM 0 HG22 VAL A 52 -15.119 -5.894 -1.465 1.00 3.86 H new ATOM 0 HG23 VAL A 52 -13.763 -5.848 -0.314 1.00 3.86 H new ATOM 801 N ILE A 53 -12.473 -1.687 -2.015 1.00 2.58 N ATOM 802 CA ILE A 53 -12.069 -0.352 -2.440 1.00 2.32 C ATOM 803 C ILE A 53 -10.567 -0.341 -2.688 1.00 2.37 C ATOM 804 O ILE A 53 -9.801 -1.001 -1.990 1.00 2.58 O ATOM 805 CB ILE A 53 -12.574 0.730 -1.463 1.00 2.04 C ATOM 806 CG1 ILE A 53 -11.847 2.083 -1.551 1.00 1.94 C ATOM 807 CG2 ILE A 53 -12.673 0.248 -0.013 1.00 2.26 C ATOM 808 CD1 ILE A 53 -10.564 2.155 -0.719 1.00 1.98 C ATOM 0 H ILE A 53 -12.307 -1.875 -1.026 1.00 2.58 H new ATOM 0 HA ILE A 53 -12.544 -0.095 -3.387 1.00 2.32 H new ATOM 0 HB ILE A 53 -13.588 0.918 -1.817 1.00 2.04 H new ATOM 0 HG12 ILE A 53 -11.604 2.286 -2.594 1.00 1.94 H new ATOM 0 HG13 ILE A 53 -12.525 2.871 -1.223 1.00 1.94 H new ATOM 0 HG21 ILE A 53 -13.034 1.061 0.617 1.00 2.26 H new ATOM 0 HG22 ILE A 53 -13.366 -0.591 0.045 1.00 2.26 H new ATOM 0 HG23 ILE A 53 -11.689 -0.069 0.333 1.00 2.26 H new ATOM 0 HD11 ILE A 53 -10.111 3.140 -0.834 1.00 1.98 H new ATOM 0 HD12 ILE A 53 -10.801 1.985 0.331 1.00 1.98 H new ATOM 0 HD13 ILE A 53 -9.865 1.392 -1.061 1.00 1.98 H new ATOM 820 N GLN A 54 -10.152 0.428 -3.695 1.00 2.19 N ATOM 821 CA GLN A 54 -8.772 0.587 -4.105 1.00 2.17 C ATOM 822 C GLN A 54 -8.349 2.031 -3.822 1.00 2.00 C ATOM 823 O GLN A 54 -9.184 2.938 -3.842 1.00 1.87 O ATOM 824 CB GLN A 54 -8.651 0.234 -5.597 1.00 2.24 C ATOM 825 CG GLN A 54 -9.246 -1.140 -5.941 1.00 2.16 C ATOM 826 CD GLN A 54 -8.802 -2.236 -4.977 1.00 2.46 C ATOM 827 OE1 GLN A 54 -9.633 -2.949 -4.429 1.00 3.66 O ATOM 828 NE2 GLN A 54 -7.496 -2.361 -4.743 1.00 2.07 N ATOM 0 H GLN A 54 -10.799 0.974 -4.264 1.00 2.19 H new ATOM 0 HA GLN A 54 -8.112 -0.080 -3.550 1.00 2.17 H new ATOM 0 HB2 GLN A 54 -9.155 1.000 -6.187 1.00 2.24 H new ATOM 0 HB3 GLN A 54 -7.600 0.250 -5.884 1.00 2.24 H new ATOM 0 HG2 GLN A 54 -10.334 -1.072 -5.931 1.00 2.16 H new ATOM 0 HG3 GLN A 54 -8.953 -1.414 -6.955 1.00 2.16 H new ATOM 0 HE21 GLN A 54 -6.832 -1.749 -5.218 1.00 2.07 H new ATOM 0 HE22 GLN A 54 -7.160 -3.068 -4.089 1.00 2.07 H new ATOM 837 N PRO A 55 -7.053 2.265 -3.569 1.00 2.01 N ATOM 838 CA PRO A 55 -6.551 3.575 -3.186 1.00 1.90 C ATOM 839 C PRO A 55 -6.876 4.629 -4.250 1.00 1.81 C ATOM 840 O PRO A 55 -7.217 5.768 -3.940 1.00 1.71 O ATOM 841 CB PRO A 55 -5.044 3.380 -2.978 1.00 1.91 C ATOM 842 CG PRO A 55 -4.694 2.114 -3.755 1.00 1.98 C ATOM 843 CD PRO A 55 -5.974 1.293 -3.666 1.00 2.11 C ATOM 0 HA PRO A 55 -7.021 3.951 -2.277 1.00 1.90 H new ATOM 0 HB2 PRO A 55 -4.481 4.237 -3.348 1.00 1.91 H new ATOM 0 HB3 PRO A 55 -4.803 3.272 -1.920 1.00 1.91 H new ATOM 0 HG2 PRO A 55 -4.427 2.335 -4.788 1.00 1.98 H new ATOM 0 HG3 PRO A 55 -3.847 1.590 -3.313 1.00 1.98 H new ATOM 0 HD2 PRO A 55 -6.095 0.658 -4.544 1.00 2.11 H new ATOM 0 HD3 PRO A 55 -5.959 0.635 -2.797 1.00 2.11 H new ATOM 851 N LEU A 56 -6.769 4.258 -5.525 1.00 1.89 N ATOM 852 CA LEU A 56 -7.021 5.188 -6.618 1.00 1.88 C ATOM 853 C LEU A 56 -8.501 5.519 -6.773 1.00 1.69 C ATOM 854 O LEU A 56 -8.864 6.664 -7.033 1.00 1.50 O ATOM 855 CB LEU A 56 -6.327 4.730 -7.899 1.00 2.24 C ATOM 856 CG LEU A 56 -7.122 4.158 -9.077 1.00 1.86 C ATOM 857 CD1 LEU A 56 -7.552 2.700 -8.887 1.00 3.16 C ATOM 858 CD2 LEU A 56 -8.233 5.036 -9.667 1.00 2.69 C ATOM 0 H LEU A 56 -6.509 3.318 -5.824 1.00 1.89 H new ATOM 0 HA LEU A 56 -6.565 6.145 -6.365 1.00 1.88 H new ATOM 0 HB2 LEU A 56 -5.767 5.584 -8.279 1.00 2.24 H new ATOM 0 HB3 LEU A 56 -5.597 3.973 -7.611 1.00 2.24 H new ATOM 0 HG LEU A 56 -6.369 4.167 -9.865 1.00 1.86 H new ATOM 0 HD11 LEU A 56 -8.110 2.368 -9.763 1.00 3.16 H new ATOM 0 HD12 LEU A 56 -6.669 2.074 -8.760 1.00 3.16 H new ATOM 0 HD13 LEU A 56 -8.184 2.619 -8.003 1.00 3.16 H new ATOM 0 HD21 LEU A 56 -8.713 4.510 -10.492 1.00 2.69 H new ATOM 0 HD22 LEU A 56 -8.972 5.254 -8.896 1.00 2.69 H new ATOM 0 HD23 LEU A 56 -7.804 5.969 -10.032 1.00 2.69 H new ATOM 870 N GLU A 57 -9.359 4.522 -6.582 1.00 1.84 N ATOM 871 CA GLU A 57 -10.800 4.746 -6.554 1.00 1.82 C ATOM 872 C GLU A 57 -11.124 5.772 -5.464 1.00 1.54 C ATOM 873 O GLU A 57 -11.842 6.738 -5.716 1.00 1.44 O ATOM 874 CB GLU A 57 -11.571 3.434 -6.363 1.00 2.11 C ATOM 875 CG GLU A 57 -11.364 2.442 -7.520 1.00 1.84 C ATOM 876 CD GLU A 57 -11.759 3.013 -8.876 1.00 2.12 C ATOM 877 OE1 GLU A 57 -12.896 3.520 -8.972 1.00 2.45 O ATOM 878 OE2 GLU A 57 -10.910 2.935 -9.790 1.00 3.26 O ATOM 0 H GLU A 57 -9.081 3.550 -6.444 1.00 1.84 H new ATOM 0 HA GLU A 57 -11.122 5.145 -7.516 1.00 1.82 H new ATOM 0 HB2 GLU A 57 -11.256 2.966 -5.430 1.00 2.11 H new ATOM 0 HB3 GLU A 57 -12.634 3.654 -6.266 1.00 2.11 H new ATOM 0 HG2 GLU A 57 -10.317 2.142 -7.550 1.00 1.84 H new ATOM 0 HG3 GLU A 57 -11.948 1.542 -7.328 1.00 1.84 H new ATOM 885 N ILE A 58 -10.496 5.628 -4.288 1.00 1.44 N ATOM 886 CA ILE A 58 -10.538 6.666 -3.270 1.00 1.18 C ATOM 887 C ILE A 58 -10.091 7.980 -3.900 1.00 1.06 C ATOM 888 O ILE A 58 -10.749 9.006 -3.711 1.00 0.95 O ATOM 889 CB ILE A 58 -9.683 6.279 -2.038 1.00 1.22 C ATOM 890 CG1 ILE A 58 -10.604 5.745 -0.932 1.00 1.18 C ATOM 891 CG2 ILE A 58 -8.820 7.439 -1.494 1.00 1.23 C ATOM 892 CD1 ILE A 58 -9.797 5.265 0.280 1.00 1.37 C ATOM 0 H ILE A 58 -9.957 4.802 -4.027 1.00 1.44 H new ATOM 0 HA ILE A 58 -11.556 6.784 -2.900 1.00 1.18 H new ATOM 0 HB ILE A 58 -8.984 5.509 -2.365 1.00 1.22 H new ATOM 0 HG12 ILE A 58 -11.297 6.528 -0.623 1.00 1.18 H new ATOM 0 HG13 ILE A 58 -11.204 4.923 -1.321 1.00 1.18 H new ATOM 0 HG21 ILE A 58 -8.249 7.094 -0.632 1.00 1.23 H new ATOM 0 HG22 ILE A 58 -8.135 7.778 -2.271 1.00 1.23 H new ATOM 0 HG23 ILE A 58 -9.466 8.264 -1.195 1.00 1.23 H new ATOM 0 HD11 ILE A 58 -10.477 4.893 1.046 1.00 1.37 H new ATOM 0 HD12 ILE A 58 -9.122 4.465 -0.026 1.00 1.37 H new ATOM 0 HD13 ILE A 58 -9.217 6.095 0.683 1.00 1.37 H new ATOM 904 N ALA A 59 -8.974 7.966 -4.644 1.00 1.15 N ATOM 905 CA ALA A 59 -8.407 9.210 -5.117 1.00 1.10 C ATOM 906 C ALA A 59 -9.425 9.966 -5.965 1.00 1.12 C ATOM 907 O ALA A 59 -9.531 11.184 -5.846 1.00 1.06 O ATOM 908 CB ALA A 59 -7.083 8.998 -5.858 1.00 1.19 C ATOM 0 H ALA A 59 -8.467 7.125 -4.918 1.00 1.15 H new ATOM 0 HA ALA A 59 -8.169 9.823 -4.248 1.00 1.10 H new ATOM 0 HB1 ALA A 59 -6.696 9.960 -6.194 1.00 1.19 H new ATOM 0 HB2 ALA A 59 -6.362 8.531 -5.188 1.00 1.19 H new ATOM 0 HB3 ALA A 59 -7.248 8.352 -6.720 1.00 1.19 H new ATOM 914 N GLN A 60 -10.196 9.240 -6.778 1.00 1.26 N ATOM 915 CA GLN A 60 -11.247 9.797 -7.617 1.00 1.34 C ATOM 916 C GLN A 60 -12.195 10.647 -6.771 1.00 1.16 C ATOM 917 O GLN A 60 -12.445 11.806 -7.097 1.00 1.18 O ATOM 918 CB GLN A 60 -11.998 8.663 -8.336 1.00 1.58 C ATOM 919 CG GLN A 60 -12.868 9.169 -9.496 1.00 1.83 C ATOM 920 CD GLN A 60 -12.052 9.802 -10.621 1.00 1.91 C ATOM 921 OE1 GLN A 60 -12.334 10.912 -11.056 1.00 2.83 O ATOM 922 NE2 GLN A 60 -11.025 9.109 -11.103 1.00 2.31 N ATOM 0 H GLN A 60 -10.101 8.229 -6.870 1.00 1.26 H new ATOM 0 HA GLN A 60 -10.805 10.443 -8.376 1.00 1.34 H new ATOM 0 HB2 GLN A 60 -11.277 7.940 -8.717 1.00 1.58 H new ATOM 0 HB3 GLN A 60 -12.627 8.137 -7.618 1.00 1.58 H new ATOM 0 HG2 GLN A 60 -13.447 8.338 -9.898 1.00 1.83 H new ATOM 0 HG3 GLN A 60 -13.581 9.900 -9.116 1.00 1.83 H new ATOM 0 HE21 GLN A 60 -10.810 8.187 -10.725 1.00 2.31 H new ATOM 0 HE22 GLN A 60 -10.452 9.500 -11.851 1.00 2.31 H new ATOM 931 N PHE A 61 -12.682 10.078 -5.662 1.00 1.05 N ATOM 932 CA PHE A 61 -13.555 10.782 -4.731 1.00 0.93 C ATOM 933 C PHE A 61 -12.889 12.089 -4.295 1.00 0.83 C ATOM 934 O PHE A 61 -13.501 13.155 -4.326 1.00 0.87 O ATOM 935 CB PHE A 61 -13.899 9.886 -3.523 1.00 0.92 C ATOM 936 CG PHE A 61 -15.380 9.598 -3.349 1.00 0.99 C ATOM 937 CD1 PHE A 61 -16.050 8.852 -4.336 1.00 2.13 C ATOM 938 CD2 PHE A 61 -16.038 9.899 -2.140 1.00 2.03 C ATOM 939 CE1 PHE A 61 -17.372 8.424 -4.126 1.00 2.41 C ATOM 940 CE2 PHE A 61 -17.361 9.469 -1.932 1.00 2.16 C ATOM 941 CZ PHE A 61 -18.029 8.734 -2.924 1.00 1.67 C ATOM 0 H PHE A 61 -12.479 9.116 -5.390 1.00 1.05 H new ATOM 0 HA PHE A 61 -14.494 11.025 -5.228 1.00 0.93 H new ATOM 0 HB2 PHE A 61 -13.368 8.940 -3.627 1.00 0.92 H new ATOM 0 HB3 PHE A 61 -13.526 10.363 -2.616 1.00 0.92 H new ATOM 0 HD1 PHE A 61 -15.546 8.607 -5.259 1.00 2.13 H new ATOM 0 HD2 PHE A 61 -15.526 10.460 -1.372 1.00 2.03 H new ATOM 0 HE1 PHE A 61 -17.883 7.856 -4.889 1.00 2.41 H new ATOM 0 HE2 PHE A 61 -17.864 9.705 -1.006 1.00 2.16 H new ATOM 0 HZ PHE A 61 -19.046 8.408 -2.763 1.00 1.67 H new ATOM 951 N ILE A 62 -11.616 12.012 -3.903 1.00 0.77 N ATOM 952 CA ILE A 62 -10.879 13.183 -3.440 1.00 0.78 C ATOM 953 C ILE A 62 -10.749 14.232 -4.557 1.00 0.91 C ATOM 954 O ILE A 62 -10.873 15.433 -4.297 1.00 1.00 O ATOM 955 CB ILE A 62 -9.520 12.776 -2.841 1.00 0.77 C ATOM 956 CG1 ILE A 62 -9.604 11.602 -1.856 1.00 1.16 C ATOM 957 CG2 ILE A 62 -8.874 13.965 -2.126 1.00 1.44 C ATOM 958 CD1 ILE A 62 -10.748 11.715 -0.857 1.00 2.43 C ATOM 0 H ILE A 62 -11.075 11.147 -3.898 1.00 0.77 H new ATOM 0 HA ILE A 62 -11.445 13.655 -2.637 1.00 0.78 H new ATOM 0 HB ILE A 62 -8.915 12.451 -3.687 1.00 0.77 H new ATOM 0 HG12 ILE A 62 -9.717 10.676 -2.419 1.00 1.16 H new ATOM 0 HG13 ILE A 62 -8.663 11.531 -1.310 1.00 1.16 H new ATOM 0 HG21 ILE A 62 -7.914 13.661 -1.708 1.00 1.44 H new ATOM 0 HG22 ILE A 62 -8.719 14.777 -2.837 1.00 1.44 H new ATOM 0 HG23 ILE A 62 -9.528 14.306 -1.323 1.00 1.44 H new ATOM 0 HD11 ILE A 62 -10.741 10.848 -0.196 1.00 2.43 H new ATOM 0 HD12 ILE A 62 -10.627 12.623 -0.266 1.00 2.43 H new ATOM 0 HD13 ILE A 62 -11.696 11.754 -1.393 1.00 2.43 H new ATOM 970 N GLN A 63 -10.509 13.796 -5.798 1.00 1.00 N ATOM 971 CA GLN A 63 -10.361 14.711 -6.916 1.00 1.17 C ATOM 972 C GLN A 63 -11.698 15.399 -7.204 1.00 1.24 C ATOM 973 O GLN A 63 -11.721 16.606 -7.430 1.00 1.33 O ATOM 974 CB GLN A 63 -9.829 14.006 -8.176 1.00 1.28 C ATOM 975 CG GLN A 63 -8.510 13.225 -8.068 1.00 1.70 C ATOM 976 CD GLN A 63 -7.550 13.773 -7.014 1.00 1.16 C ATOM 977 OE1 GLN A 63 -6.764 14.674 -7.282 1.00 1.84 O ATOM 978 NE2 GLN A 63 -7.600 13.212 -5.810 1.00 1.26 N ATOM 0 H GLN A 63 -10.414 12.811 -6.046 1.00 1.00 H new ATOM 0 HA GLN A 63 -9.621 15.462 -6.637 1.00 1.17 H new ATOM 0 HB2 GLN A 63 -10.598 13.315 -8.521 1.00 1.28 H new ATOM 0 HB3 GLN A 63 -9.707 14.760 -8.953 1.00 1.28 H new ATOM 0 HG2 GLN A 63 -8.734 12.184 -7.835 1.00 1.70 H new ATOM 0 HG3 GLN A 63 -8.013 13.235 -9.038 1.00 1.70 H new ATOM 0 HE21 GLN A 63 -8.268 12.464 -5.623 1.00 1.26 H new ATOM 0 HE22 GLN A 63 -6.971 13.530 -5.073 1.00 1.26 H new ATOM 987 N ASP A 64 -12.802 14.646 -7.181 1.00 1.23 N ATOM 988 CA ASP A 64 -14.141 15.192 -7.373 1.00 1.30 C ATOM 989 C ASP A 64 -14.445 16.219 -6.282 1.00 1.26 C ATOM 990 O ASP A 64 -14.826 17.353 -6.568 1.00 1.38 O ATOM 991 CB ASP A 64 -15.169 14.057 -7.376 1.00 1.28 C ATOM 992 CG ASP A 64 -16.577 14.611 -7.545 1.00 1.43 C ATOM 993 OD1 ASP A 64 -16.986 14.769 -8.715 1.00 2.32 O ATOM 994 OD2 ASP A 64 -17.212 14.867 -6.501 1.00 2.28 O ATOM 0 H ASP A 64 -12.788 13.638 -7.028 1.00 1.23 H new ATOM 0 HA ASP A 64 -14.196 15.699 -8.336 1.00 1.30 H new ATOM 0 HB2 ASP A 64 -14.947 13.360 -8.184 1.00 1.28 H new ATOM 0 HB3 ASP A 64 -15.102 13.496 -6.444 1.00 1.28 H new ATOM 999 N LEU A 65 -14.211 15.832 -5.023 1.00 1.14 N ATOM 1000 CA LEU A 65 -14.366 16.720 -3.877 1.00 1.14 C ATOM 1001 C LEU A 65 -13.503 17.976 -4.034 1.00 1.22 C ATOM 1002 O LEU A 65 -13.922 19.061 -3.631 1.00 1.30 O ATOM 1003 CB LEU A 65 -14.059 15.964 -2.575 1.00 1.06 C ATOM 1004 CG LEU A 65 -15.178 14.957 -2.245 1.00 1.32 C ATOM 1005 CD1 LEU A 65 -14.684 13.813 -1.352 1.00 2.07 C ATOM 1006 CD2 LEU A 65 -16.345 15.657 -1.535 1.00 1.42 C ATOM 0 H LEU A 65 -13.908 14.890 -4.775 1.00 1.14 H new ATOM 0 HA LEU A 65 -15.402 17.055 -3.828 1.00 1.14 H new ATOM 0 HB2 LEU A 65 -13.109 15.439 -2.670 1.00 1.06 H new ATOM 0 HB3 LEU A 65 -13.950 16.674 -1.755 1.00 1.06 H new ATOM 0 HG LEU A 65 -15.508 14.541 -3.197 1.00 1.32 H new ATOM 0 HD11 LEU A 65 -15.508 13.130 -1.147 1.00 2.07 H new ATOM 0 HD12 LEU A 65 -13.884 13.275 -1.860 1.00 2.07 H new ATOM 0 HD13 LEU A 65 -14.308 14.220 -0.413 1.00 2.07 H new ATOM 0 HD21 LEU A 65 -17.124 14.928 -1.311 1.00 1.42 H new ATOM 0 HD22 LEU A 65 -15.990 16.106 -0.607 1.00 1.42 H new ATOM 0 HD23 LEU A 65 -16.751 16.435 -2.182 1.00 1.42 H new ATOM 1018 N GLY A 66 -12.307 17.838 -4.613 1.00 1.22 N ATOM 1019 CA GLY A 66 -11.509 18.954 -5.107 1.00 1.34 C ATOM 1020 C GLY A 66 -10.234 19.120 -4.292 1.00 1.25 C ATOM 1021 O GLY A 66 -9.853 20.240 -3.958 1.00 1.29 O ATOM 0 H GLY A 66 -11.862 16.931 -4.752 1.00 1.22 H new ATOM 0 HA2 GLY A 66 -11.256 18.788 -6.154 1.00 1.34 H new ATOM 0 HA3 GLY A 66 -12.095 19.872 -5.062 1.00 1.34 H new ATOM 1025 N PHE A 67 -9.586 18.003 -3.957 1.00 1.19 N ATOM 1026 CA PHE A 67 -8.417 17.962 -3.092 1.00 1.06 C ATOM 1027 C PHE A 67 -7.339 17.085 -3.743 1.00 0.98 C ATOM 1028 O PHE A 67 -7.667 16.252 -4.588 1.00 1.05 O ATOM 1029 CB PHE A 67 -8.875 17.359 -1.758 1.00 1.00 C ATOM 1030 CG PHE A 67 -9.665 18.274 -0.844 1.00 1.18 C ATOM 1031 CD1 PHE A 67 -11.040 18.484 -1.068 1.00 2.67 C ATOM 1032 CD2 PHE A 67 -9.071 18.758 0.333 1.00 1.63 C ATOM 1033 CE1 PHE A 67 -11.810 19.200 -0.135 1.00 3.00 C ATOM 1034 CE2 PHE A 67 -9.858 19.408 1.295 1.00 1.58 C ATOM 1035 CZ PHE A 67 -11.219 19.639 1.062 1.00 1.76 C ATOM 0 H PHE A 67 -9.871 17.082 -4.290 1.00 1.19 H new ATOM 0 HA PHE A 67 -7.994 18.954 -2.934 1.00 1.06 H new ATOM 0 HB2 PHE A 67 -9.483 16.480 -1.971 1.00 1.00 H new ATOM 0 HB3 PHE A 67 -7.993 17.014 -1.218 1.00 1.00 H new ATOM 0 HD1 PHE A 67 -11.505 18.093 -1.961 1.00 2.67 H new ATOM 0 HD2 PHE A 67 -8.011 18.630 0.497 1.00 1.63 H new ATOM 0 HE1 PHE A 67 -12.850 19.411 -0.337 1.00 3.00 H new ATOM 0 HE2 PHE A 67 -9.411 19.733 2.223 1.00 1.58 H new ATOM 0 HZ PHE A 67 -11.814 20.154 1.801 1.00 1.76 H new ATOM 1045 N GLU A 68 -6.079 17.191 -3.298 1.00 0.93 N ATOM 1046 CA GLU A 68 -5.031 16.272 -3.732 1.00 0.97 C ATOM 1047 C GLU A 68 -4.977 15.145 -2.707 1.00 0.88 C ATOM 1048 O GLU A 68 -4.753 15.404 -1.524 1.00 0.83 O ATOM 1049 CB GLU A 68 -3.632 16.915 -3.722 1.00 0.94 C ATOM 1050 CG GLU A 68 -3.314 17.983 -4.776 1.00 1.27 C ATOM 1051 CD GLU A 68 -1.806 18.179 -5.012 1.00 1.68 C ATOM 1052 OE1 GLU A 68 -0.974 17.702 -4.196 1.00 2.69 O ATOM 1053 OE2 GLU A 68 -1.481 18.798 -6.041 1.00 2.39 O ATOM 0 H GLU A 68 -5.767 17.904 -2.639 1.00 0.93 H new ATOM 0 HA GLU A 68 -5.266 15.952 -4.747 1.00 0.97 H new ATOM 0 HB2 GLU A 68 -3.479 17.362 -2.740 1.00 0.94 H new ATOM 0 HB3 GLU A 68 -2.898 16.116 -3.827 1.00 0.94 H new ATOM 0 HG2 GLU A 68 -3.789 17.706 -5.717 1.00 1.27 H new ATOM 0 HG3 GLU A 68 -3.752 18.932 -4.465 1.00 1.27 H new ATOM 1060 N ALA A 69 -5.125 13.906 -3.176 1.00 0.94 N ATOM 1061 CA ALA A 69 -4.845 12.710 -2.395 1.00 0.90 C ATOM 1062 C ALA A 69 -3.454 12.220 -2.774 1.00 0.94 C ATOM 1063 O ALA A 69 -3.202 11.980 -3.953 1.00 1.30 O ATOM 1064 CB ALA A 69 -5.862 11.620 -2.749 1.00 1.29 C ATOM 0 H ALA A 69 -5.447 13.706 -4.123 1.00 0.94 H new ATOM 0 HA ALA A 69 -4.905 12.932 -1.329 1.00 0.90 H new ATOM 0 HB1 ALA A 69 -5.653 10.724 -2.165 1.00 1.29 H new ATOM 0 HB2 ALA A 69 -6.868 11.974 -2.524 1.00 1.29 H new ATOM 0 HB3 ALA A 69 -5.789 11.386 -3.811 1.00 1.29 H new ATOM 1070 N ALA A 70 -2.557 12.057 -1.798 1.00 0.78 N ATOM 1071 CA ALA A 70 -1.254 11.453 -2.037 1.00 0.99 C ATOM 1072 C ALA A 70 -0.938 10.493 -0.889 1.00 0.94 C ATOM 1073 O ALA A 70 -0.828 10.899 0.268 1.00 0.95 O ATOM 1074 CB ALA A 70 -0.208 12.551 -2.244 1.00 1.12 C ATOM 0 H ALA A 70 -2.716 12.339 -0.831 1.00 0.78 H new ATOM 0 HA ALA A 70 -1.248 10.861 -2.952 1.00 0.99 H new ATOM 0 HB1 ALA A 70 0.766 12.096 -2.423 1.00 1.12 H new ATOM 0 HB2 ALA A 70 -0.486 13.162 -3.103 1.00 1.12 H new ATOM 0 HB3 ALA A 70 -0.158 13.178 -1.354 1.00 1.12 H new ATOM 1080 N VAL A 71 -0.881 9.198 -1.208 1.00 0.99 N ATOM 1081 CA VAL A 71 -0.620 8.139 -0.248 1.00 1.04 C ATOM 1082 C VAL A 71 0.851 8.160 0.174 1.00 1.10 C ATOM 1083 O VAL A 71 1.695 8.674 -0.558 1.00 1.21 O ATOM 1084 CB VAL A 71 -1.040 6.768 -0.814 1.00 1.29 C ATOM 1085 CG1 VAL A 71 -1.136 5.686 0.268 1.00 2.59 C ATOM 1086 CG2 VAL A 71 -2.417 6.824 -1.476 1.00 2.65 C ATOM 0 H VAL A 71 -1.018 8.857 -2.159 1.00 0.99 H new ATOM 0 HA VAL A 71 -1.223 8.313 0.643 1.00 1.04 H new ATOM 0 HB VAL A 71 -0.261 6.520 -1.535 1.00 1.29 H new ATOM 0 HG11 VAL A 71 -1.435 4.742 -0.187 1.00 2.59 H new ATOM 0 HG12 VAL A 71 -0.165 5.565 0.749 1.00 2.59 H new ATOM 0 HG13 VAL A 71 -1.876 5.981 1.012 1.00 2.59 H new ATOM 0 HG21 VAL A 71 -2.676 5.838 -1.862 1.00 2.65 H new ATOM 0 HG22 VAL A 71 -3.161 7.133 -0.742 1.00 2.65 H new ATOM 0 HG23 VAL A 71 -2.397 7.541 -2.297 1.00 2.65 H new ATOM 1096 N MET A 72 1.171 7.571 1.331 1.00 1.20 N ATOM 1097 CA MET A 72 2.549 7.420 1.782 1.00 1.57 C ATOM 1098 C MET A 72 3.297 6.280 1.077 1.00 2.07 C ATOM 1099 O MET A 72 4.487 6.089 1.320 1.00 2.86 O ATOM 1100 CB MET A 72 2.550 7.171 3.287 1.00 1.76 C ATOM 1101 CG MET A 72 2.157 8.423 4.074 1.00 2.35 C ATOM 1102 SD MET A 72 2.670 8.370 5.809 1.00 3.09 S ATOM 1103 CE MET A 72 1.964 9.918 6.404 1.00 4.22 C ATOM 0 H MET A 72 0.480 7.188 1.976 1.00 1.20 H new ATOM 0 HA MET A 72 3.074 8.342 1.532 1.00 1.57 H new ATOM 0 HB2 MET A 72 1.857 6.363 3.521 1.00 1.76 H new ATOM 0 HB3 MET A 72 3.541 6.842 3.600 1.00 1.76 H new ATOM 0 HG2 MET A 72 2.601 9.297 3.598 1.00 2.35 H new ATOM 0 HG3 MET A 72 1.075 8.549 4.026 1.00 2.35 H new ATOM 0 HE1 MET A 72 2.191 10.038 7.463 1.00 4.22 H new ATOM 0 HE2 MET A 72 2.390 10.751 5.845 1.00 4.22 H new ATOM 0 HE3 MET A 72 0.883 9.902 6.264 1.00 4.22 H new ATOM 1113 N GLU A 73 2.601 5.516 0.233 1.00 1.92 N ATOM 1114 CA GLU A 73 3.093 4.351 -0.492 1.00 2.43 C ATOM 1115 C GLU A 73 3.083 3.089 0.385 1.00 2.73 C ATOM 1116 O GLU A 73 3.739 2.094 0.072 1.00 2.81 O ATOM 1117 CB GLU A 73 4.470 4.610 -1.130 1.00 2.60 C ATOM 1118 CG GLU A 73 4.667 3.780 -2.405 1.00 3.71 C ATOM 1119 CD GLU A 73 6.146 3.585 -2.723 1.00 4.04 C ATOM 1120 OE1 GLU A 73 6.813 4.606 -2.987 1.00 3.88 O ATOM 1121 OE2 GLU A 73 6.586 2.415 -2.682 1.00 5.12 O ATOM 0 H GLU A 73 1.621 5.709 0.028 1.00 1.92 H new ATOM 0 HA GLU A 73 2.401 4.167 -1.314 1.00 2.43 H new ATOM 0 HB2 GLU A 73 4.569 5.670 -1.366 1.00 2.60 H new ATOM 0 HB3 GLU A 73 5.255 4.369 -0.413 1.00 2.60 H new ATOM 0 HG2 GLU A 73 4.188 2.808 -2.285 1.00 3.71 H new ATOM 0 HG3 GLU A 73 4.176 4.276 -3.242 1.00 3.71 H new ATOM 1128 N ASP A 74 2.321 3.099 1.477 1.00 3.41 N ATOM 1129 CA ASP A 74 1.966 1.904 2.229 1.00 3.95 C ATOM 1130 C ASP A 74 0.762 1.237 1.553 1.00 3.28 C ATOM 1131 O ASP A 74 0.689 0.017 1.484 1.00 4.08 O ATOM 1132 CB ASP A 74 1.632 2.312 3.665 1.00 5.41 C ATOM 1133 CG ASP A 74 0.336 3.092 3.716 1.00 6.42 C ATOM 1134 OD1 ASP A 74 0.169 3.972 2.840 1.00 6.75 O ATOM 1135 OD2 ASP A 74 -0.492 2.776 4.587 1.00 7.46 O ATOM 0 H ASP A 74 1.928 3.955 1.868 1.00 3.41 H new ATOM 0 HA ASP A 74 2.793 1.194 2.249 1.00 3.95 H new ATOM 0 HB2 ASP A 74 1.551 1.423 4.291 1.00 5.41 H new ATOM 0 HB3 ASP A 74 2.442 2.917 4.073 1.00 5.41 H new ATOM 1140 N TYR A 75 -0.158 2.067 1.039 1.00 2.36 N ATOM 1141 CA TYR A 75 -1.405 1.769 0.351 1.00 2.43 C ATOM 1142 C TYR A 75 -2.350 0.854 1.142 1.00 2.69 C ATOM 1143 O TYR A 75 -3.439 1.315 1.468 1.00 3.65 O ATOM 1144 CB TYR A 75 -1.207 1.428 -1.139 1.00 2.38 C ATOM 1145 CG TYR A 75 -0.638 0.060 -1.417 1.00 2.11 C ATOM 1146 CD1 TYR A 75 -1.484 -1.062 -1.382 1.00 3.40 C ATOM 1147 CD2 TYR A 75 0.753 -0.121 -1.367 1.00 2.13 C ATOM 1148 CE1 TYR A 75 -0.961 -2.307 -1.006 1.00 3.84 C ATOM 1149 CE2 TYR A 75 1.264 -1.357 -0.956 1.00 2.63 C ATOM 1150 CZ TYR A 75 0.409 -2.444 -0.751 1.00 3.21 C ATOM 1151 OH TYR A 75 0.948 -3.681 -0.601 1.00 4.21 O ATOM 0 H TYR A 75 -0.022 3.076 1.108 1.00 2.36 H new ATOM 0 HA TYR A 75 -1.968 2.702 0.318 1.00 2.43 H new ATOM 0 HB2 TYR A 75 -2.169 1.513 -1.645 1.00 2.38 H new ATOM 0 HB3 TYR A 75 -0.547 2.175 -1.581 1.00 2.38 H new ATOM 0 HD1 TYR A 75 -2.528 -0.966 -1.642 1.00 3.40 H new ATOM 0 HD2 TYR A 75 1.420 0.683 -1.642 1.00 2.13 H new ATOM 0 HE1 TYR A 75 -1.615 -3.161 -0.913 1.00 3.84 H new ATOM 0 HE2 TYR A 75 2.326 -1.472 -0.796 1.00 2.63 H new ATOM 0 HH TYR A 75 0.902 -4.163 -1.453 1.00 4.21 H new ATOM 1161 N ALA A 76 -1.958 -0.393 1.420 1.00 2.31 N ATOM 1162 CA ALA A 76 -2.629 -1.410 2.226 1.00 2.60 C ATOM 1163 C ALA A 76 -2.324 -2.808 1.724 1.00 2.53 C ATOM 1164 O ALA A 76 -3.110 -3.414 0.995 1.00 4.14 O ATOM 1165 CB ALA A 76 -4.142 -1.275 2.301 1.00 3.45 C ATOM 0 H ALA A 76 -1.076 -0.747 1.049 1.00 2.31 H new ATOM 0 HA ALA A 76 -2.228 -1.246 3.226 1.00 2.60 H new ATOM 0 HB1 ALA A 76 -4.548 -2.074 2.921 1.00 3.45 H new ATOM 0 HB2 ALA A 76 -4.400 -0.310 2.738 1.00 3.45 H new ATOM 0 HB3 ALA A 76 -4.564 -1.343 1.298 1.00 3.45 H new ATOM 1171 N GLY A 77 -1.187 -3.344 2.128 1.00 1.64 N ATOM 1172 CA GLY A 77 -0.713 -4.603 1.662 1.00 2.09 C ATOM 1173 C GLY A 77 -1.224 -5.714 2.551 1.00 2.47 C ATOM 1174 O GLY A 77 -0.724 -5.884 3.658 1.00 3.14 O ATOM 0 H GLY A 77 -0.567 -2.896 2.802 1.00 1.64 H new ATOM 0 HA2 GLY A 77 -1.043 -4.767 0.636 1.00 2.09 H new ATOM 0 HA3 GLY A 77 0.377 -4.608 1.651 1.00 2.09 H new ATOM 1178 N SER A 78 -2.212 -6.472 2.073 1.00 2.65 N ATOM 1179 CA SER A 78 -2.916 -7.427 2.921 1.00 3.39 C ATOM 1180 C SER A 78 -3.531 -8.577 2.123 1.00 3.26 C ATOM 1181 O SER A 78 -3.372 -9.736 2.498 1.00 4.20 O ATOM 1182 CB SER A 78 -3.987 -6.700 3.750 1.00 3.90 C ATOM 1183 OG SER A 78 -3.756 -5.303 3.856 1.00 4.13 O ATOM 0 H SER A 78 -2.540 -6.442 1.107 1.00 2.65 H new ATOM 0 HA SER A 78 -2.183 -7.874 3.592 1.00 3.39 H new ATOM 0 HB2 SER A 78 -4.964 -6.867 3.297 1.00 3.90 H new ATOM 0 HB3 SER A 78 -4.021 -7.134 4.749 1.00 3.90 H new ATOM 0 HG SER A 78 -3.498 -5.083 4.775 1.00 4.13 H new ATOM 1189 N ASP A 79 -4.231 -8.250 1.033 1.00 2.50 N ATOM 1190 CA ASP A 79 -5.123 -9.151 0.320 1.00 2.56 C ATOM 1191 C ASP A 79 -4.824 -8.992 -1.165 1.00 2.46 C ATOM 1192 O ASP A 79 -5.079 -7.924 -1.720 1.00 2.96 O ATOM 1193 CB ASP A 79 -6.589 -8.762 0.597 1.00 2.85 C ATOM 1194 CG ASP A 79 -6.907 -8.639 2.081 1.00 3.50 C ATOM 1195 OD1 ASP A 79 -6.886 -9.688 2.757 1.00 3.96 O ATOM 1196 OD2 ASP A 79 -7.110 -7.486 2.521 1.00 4.48 O ATOM 0 H ASP A 79 -4.187 -7.321 0.614 1.00 2.50 H new ATOM 0 HA ASP A 79 -4.974 -10.182 0.642 1.00 2.56 H new ATOM 0 HB2 ASP A 79 -6.805 -7.813 0.106 1.00 2.85 H new ATOM 0 HB3 ASP A 79 -7.247 -9.509 0.152 1.00 2.85 H new ATOM 1201 N GLY A 80 -4.210 -9.981 -1.822 1.00 2.35 N ATOM 1202 CA GLY A 80 -3.969 -9.916 -3.254 1.00 2.60 C ATOM 1203 C GLY A 80 -2.681 -9.154 -3.520 1.00 2.39 C ATOM 1204 O GLY A 80 -1.797 -9.631 -4.226 1.00 2.56 O ATOM 0 H GLY A 80 -3.873 -10.835 -1.378 1.00 2.35 H new ATOM 0 HA2 GLY A 80 -3.900 -10.922 -3.667 1.00 2.60 H new ATOM 0 HA3 GLY A 80 -4.804 -9.423 -3.752 1.00 2.60 H new ATOM 1208 N ASN A 81 -2.575 -7.964 -2.927 1.00 2.14 N ATOM 1209 CA ASN A 81 -1.418 -7.113 -2.963 1.00 1.96 C ATOM 1210 C ASN A 81 -0.942 -7.052 -1.528 1.00 2.08 C ATOM 1211 O ASN A 81 -1.720 -6.646 -0.665 1.00 2.43 O ATOM 1212 CB ASN A 81 -1.810 -5.714 -3.451 1.00 1.81 C ATOM 1213 CG ASN A 81 -0.672 -4.716 -3.258 1.00 1.84 C ATOM 1214 OD1 ASN A 81 0.426 -5.052 -2.842 1.00 2.89 O ATOM 1215 ND2 ASN A 81 -0.886 -3.446 -3.559 1.00 2.45 N ATOM 0 H ASN A 81 -3.340 -7.561 -2.386 1.00 2.14 H new ATOM 0 HA ASN A 81 -0.648 -7.485 -3.639 1.00 1.96 H new ATOM 0 HB2 ASN A 81 -2.082 -5.758 -4.506 1.00 1.81 H new ATOM 0 HB3 ASN A 81 -2.691 -5.372 -2.909 1.00 1.81 H new ATOM 0 HD21 ASN A 81 -0.139 -2.761 -3.443 1.00 2.45 H new ATOM 0 HD22 ASN A 81 -1.798 -3.151 -3.907 1.00 2.45 H new ATOM 1222 N ILE A 82 0.310 -7.434 -1.293 1.00 1.91 N ATOM 1223 CA ILE A 82 0.989 -7.221 -0.033 1.00 1.96 C ATOM 1224 C ILE A 82 2.250 -6.421 -0.321 1.00 1.77 C ATOM 1225 O ILE A 82 2.727 -6.414 -1.456 1.00 1.63 O ATOM 1226 CB ILE A 82 1.302 -8.540 0.695 1.00 2.09 C ATOM 1227 CG1 ILE A 82 0.575 -9.775 0.147 1.00 2.70 C ATOM 1228 CG2 ILE A 82 0.931 -8.373 2.169 1.00 1.94 C ATOM 1229 CD1 ILE A 82 -0.923 -9.789 0.467 1.00 3.42 C ATOM 0 H ILE A 82 0.885 -7.908 -1.989 1.00 1.91 H new ATOM 0 HA ILE A 82 0.338 -6.669 0.645 1.00 1.96 H new ATOM 0 HB ILE A 82 2.365 -8.727 0.541 1.00 2.09 H new ATOM 0 HG12 ILE A 82 0.709 -9.817 -0.934 1.00 2.70 H new ATOM 0 HG13 ILE A 82 1.036 -10.672 0.560 1.00 2.70 H new ATOM 0 HG21 ILE A 82 1.145 -9.298 2.705 1.00 1.94 H new ATOM 0 HG22 ILE A 82 1.514 -7.560 2.601 1.00 1.94 H new ATOM 0 HG23 ILE A 82 -0.131 -8.142 2.253 1.00 1.94 H new ATOM 0 HD11 ILE A 82 -1.376 -10.689 0.051 1.00 3.42 H new ATOM 0 HD12 ILE A 82 -1.064 -9.778 1.548 1.00 3.42 H new ATOM 0 HD13 ILE A 82 -1.397 -8.910 0.031 1.00 3.42 H new ATOM 1241 N GLU A 83 2.791 -5.752 0.694 1.00 1.82 N ATOM 1242 CA GLU A 83 4.069 -5.103 0.619 1.00 1.72 C ATOM 1243 C GLU A 83 4.943 -5.575 1.763 1.00 1.70 C ATOM 1244 O GLU A 83 4.447 -6.114 2.752 1.00 1.98 O ATOM 1245 CB GLU A 83 3.874 -3.594 0.598 1.00 1.86 C ATOM 1246 CG GLU A 83 3.283 -2.954 1.864 1.00 2.12 C ATOM 1247 CD GLU A 83 4.367 -2.489 2.824 1.00 2.42 C ATOM 1248 OE1 GLU A 83 4.924 -3.368 3.516 1.00 3.33 O ATOM 1249 OE2 GLU A 83 4.675 -1.273 2.792 1.00 2.74 O ATOM 0 H GLU A 83 2.335 -5.652 1.601 1.00 1.82 H new ATOM 0 HA GLU A 83 4.583 -5.368 -0.305 1.00 1.72 H new ATOM 0 HB2 GLU A 83 4.840 -3.129 0.402 1.00 1.86 H new ATOM 0 HB3 GLU A 83 3.225 -3.347 -0.242 1.00 1.86 H new ATOM 0 HG2 GLU A 83 2.658 -2.106 1.584 1.00 2.12 H new ATOM 0 HG3 GLU A 83 2.637 -3.674 2.367 1.00 2.12 H new ATOM 1256 N LEU A 84 6.252 -5.446 1.576 1.00 1.45 N ATOM 1257 CA LEU A 84 7.216 -5.706 2.620 1.00 1.45 C ATOM 1258 C LEU A 84 8.417 -4.790 2.469 1.00 1.43 C ATOM 1259 O LEU A 84 8.649 -4.262 1.385 1.00 1.39 O ATOM 1260 CB LEU A 84 7.526 -7.204 2.678 1.00 1.43 C ATOM 1261 CG LEU A 84 7.892 -7.810 1.313 1.00 1.49 C ATOM 1262 CD1 LEU A 84 9.389 -7.652 1.055 1.00 2.25 C ATOM 1263 CD2 LEU A 84 7.444 -9.272 1.306 1.00 2.55 C ATOM 0 H LEU A 84 6.668 -5.157 0.691 1.00 1.45 H new ATOM 0 HA LEU A 84 6.808 -5.462 3.601 1.00 1.45 H new ATOM 0 HB2 LEU A 84 8.350 -7.369 3.372 1.00 1.43 H new ATOM 0 HB3 LEU A 84 6.660 -7.730 3.080 1.00 1.43 H new ATOM 0 HG LEU A 84 7.382 -7.289 0.502 1.00 1.49 H new ATOM 0 HD11 LEU A 84 9.639 -8.084 0.086 1.00 2.25 H new ATOM 0 HD12 LEU A 84 9.649 -6.593 1.058 1.00 2.25 H new ATOM 0 HD13 LEU A 84 9.949 -8.166 1.836 1.00 2.25 H new ATOM 0 HD21 LEU A 84 7.693 -9.724 0.346 1.00 2.55 H new ATOM 0 HD22 LEU A 84 7.952 -9.812 2.105 1.00 2.55 H new ATOM 0 HD23 LEU A 84 6.366 -9.323 1.462 1.00 2.55 H new ATOM 1275 N THR A 85 9.198 -4.640 3.538 1.00 1.49 N ATOM 1276 CA THR A 85 10.457 -3.920 3.542 1.00 1.49 C ATOM 1277 C THR A 85 11.564 -4.953 3.425 1.00 1.47 C ATOM 1278 O THR A 85 11.599 -5.905 4.205 1.00 1.50 O ATOM 1279 CB THR A 85 10.579 -2.986 4.763 1.00 1.62 C ATOM 1280 OG1 THR A 85 10.308 -1.666 4.333 1.00 2.05 O ATOM 1281 CG2 THR A 85 11.968 -2.972 5.418 1.00 1.44 C ATOM 0 H THR A 85 8.959 -5.030 4.449 1.00 1.49 H new ATOM 0 HA THR A 85 10.529 -3.240 2.694 1.00 1.49 H new ATOM 0 HB THR A 85 9.875 -3.360 5.506 1.00 1.62 H new ATOM 0 HG1 THR A 85 10.915 -1.429 3.601 1.00 2.05 H new ATOM 0 HG21 THR A 85 11.963 -2.289 6.267 1.00 1.44 H new ATOM 0 HG22 THR A 85 12.219 -3.976 5.761 1.00 1.44 H new ATOM 0 HG23 THR A 85 12.710 -2.641 4.691 1.00 1.44 H new ATOM 1289 N ILE A 86 12.439 -4.764 2.436 1.00 1.42 N ATOM 1290 CA ILE A 86 13.597 -5.607 2.208 1.00 1.33 C ATOM 1291 C ILE A 86 14.821 -4.925 2.812 1.00 1.39 C ATOM 1292 O ILE A 86 15.090 -3.762 2.508 1.00 1.59 O ATOM 1293 CB ILE A 86 13.792 -5.967 0.717 1.00 1.26 C ATOM 1294 CG1 ILE A 86 13.208 -4.976 -0.302 1.00 1.19 C ATOM 1295 CG2 ILE A 86 13.156 -7.337 0.441 1.00 1.71 C ATOM 1296 CD1 ILE A 86 13.876 -3.598 -0.296 1.00 1.81 C ATOM 0 H ILE A 86 12.354 -4.003 1.762 1.00 1.42 H new ATOM 0 HA ILE A 86 13.441 -6.565 2.703 1.00 1.33 H new ATOM 0 HB ILE A 86 14.872 -5.950 0.574 1.00 1.26 H new ATOM 0 HG12 ILE A 86 13.296 -5.405 -1.300 1.00 1.19 H new ATOM 0 HG13 ILE A 86 12.144 -4.852 -0.101 1.00 1.19 H new ATOM 0 HG21 ILE A 86 13.291 -7.596 -0.609 1.00 1.71 H new ATOM 0 HG22 ILE A 86 13.634 -8.092 1.065 1.00 1.71 H new ATOM 0 HG23 ILE A 86 12.091 -7.297 0.671 1.00 1.71 H new ATOM 0 HD11 ILE A 86 13.404 -2.961 -1.044 1.00 1.81 H new ATOM 0 HD12 ILE A 86 13.765 -3.144 0.689 1.00 1.81 H new ATOM 0 HD13 ILE A 86 14.935 -3.706 -0.528 1.00 1.81 H new ATOM 1308 N THR A 87 15.553 -5.651 3.661 1.00 1.29 N ATOM 1309 CA THR A 87 16.786 -5.174 4.272 1.00 1.34 C ATOM 1310 C THR A 87 17.925 -6.088 3.816 1.00 1.30 C ATOM 1311 O THR A 87 17.950 -7.271 4.164 1.00 1.34 O ATOM 1312 CB THR A 87 16.634 -5.121 5.799 1.00 1.39 C ATOM 1313 OG1 THR A 87 15.439 -4.435 6.122 1.00 1.90 O ATOM 1314 CG2 THR A 87 17.811 -4.392 6.452 1.00 1.42 C ATOM 0 H THR A 87 15.299 -6.597 3.944 1.00 1.29 H new ATOM 0 HA THR A 87 17.016 -4.157 3.956 1.00 1.34 H new ATOM 0 HB THR A 87 16.608 -6.144 6.174 1.00 1.39 H new ATOM 0 HG1 THR A 87 15.335 -4.399 7.096 1.00 1.90 H new ATOM 0 HG21 THR A 87 17.672 -4.372 7.533 1.00 1.42 H new ATOM 0 HG22 THR A 87 18.739 -4.913 6.215 1.00 1.42 H new ATOM 0 HG23 THR A 87 17.862 -3.371 6.074 1.00 1.42 H new ATOM 1322 N GLY A 88 18.834 -5.533 3.006 1.00 1.45 N ATOM 1323 CA GLY A 88 19.909 -6.262 2.343 1.00 1.56 C ATOM 1324 C GLY A 88 20.285 -5.611 1.008 1.00 1.44 C ATOM 1325 O GLY A 88 21.409 -5.759 0.534 1.00 1.50 O ATOM 0 H GLY A 88 18.838 -4.536 2.791 1.00 1.45 H new ATOM 0 HA2 GLY A 88 20.783 -6.294 2.993 1.00 1.56 H new ATOM 0 HA3 GLY A 88 19.600 -7.293 2.172 1.00 1.56 H new ATOM 1329 N MET A 89 19.343 -4.891 0.387 1.00 1.48 N ATOM 1330 CA MET A 89 19.532 -4.318 -0.937 1.00 1.62 C ATOM 1331 C MET A 89 20.692 -3.321 -0.953 1.00 1.41 C ATOM 1332 O MET A 89 20.653 -2.320 -0.242 1.00 1.49 O ATOM 1333 CB MET A 89 18.234 -3.650 -1.406 1.00 2.03 C ATOM 1334 CG MET A 89 18.118 -3.727 -2.933 1.00 1.97 C ATOM 1335 SD MET A 89 17.390 -5.246 -3.589 1.00 2.54 S ATOM 1336 CE MET A 89 15.698 -5.066 -2.979 1.00 2.83 C ATOM 0 H MET A 89 18.429 -4.693 0.795 1.00 1.48 H new ATOM 0 HA MET A 89 19.785 -5.123 -1.626 1.00 1.62 H new ATOM 0 HB2 MET A 89 17.377 -4.140 -0.944 1.00 2.03 H new ATOM 0 HB3 MET A 89 18.216 -2.608 -1.085 1.00 2.03 H new ATOM 0 HG2 MET A 89 17.521 -2.882 -3.277 1.00 1.97 H new ATOM 0 HG3 MET A 89 19.114 -3.609 -3.361 1.00 1.97 H new ATOM 0 HE1 MET A 89 15.043 -5.752 -3.515 1.00 2.83 H new ATOM 0 HE2 MET A 89 15.669 -5.295 -1.914 1.00 2.83 H new ATOM 0 HE3 MET A 89 15.360 -4.042 -3.140 1.00 2.83 H new ATOM 1346 N THR A 90 21.705 -3.579 -1.786 1.00 1.35 N ATOM 1347 CA THR A 90 22.843 -2.684 -1.964 1.00 1.51 C ATOM 1348 C THR A 90 23.120 -2.415 -3.453 1.00 1.58 C ATOM 1349 O THR A 90 24.086 -1.732 -3.793 1.00 1.81 O ATOM 1350 CB THR A 90 24.042 -3.249 -1.175 1.00 1.76 C ATOM 1351 OG1 THR A 90 25.103 -2.321 -1.091 1.00 2.44 O ATOM 1352 CG2 THR A 90 24.579 -4.558 -1.762 1.00 2.40 C ATOM 0 H THR A 90 21.755 -4.422 -2.358 1.00 1.35 H new ATOM 0 HA THR A 90 22.626 -1.698 -1.554 1.00 1.51 H new ATOM 0 HB THR A 90 23.654 -3.451 -0.177 1.00 1.76 H new ATOM 0 HG1 THR A 90 25.134 -1.785 -1.911 1.00 2.44 H new ATOM 0 HG21 THR A 90 25.421 -4.906 -1.164 1.00 2.40 H new ATOM 0 HG22 THR A 90 23.791 -5.311 -1.752 1.00 2.40 H new ATOM 0 HG23 THR A 90 24.907 -4.389 -2.788 1.00 2.40 H new ATOM 1360 N CYS A 91 22.277 -2.913 -4.371 1.00 1.55 N ATOM 1361 CA CYS A 91 22.470 -2.648 -5.793 1.00 1.80 C ATOM 1362 C CYS A 91 21.254 -3.062 -6.613 1.00 1.75 C ATOM 1363 O CYS A 91 20.547 -3.999 -6.248 1.00 1.54 O ATOM 1364 CB CYS A 91 23.723 -3.380 -6.306 1.00 2.07 C ATOM 1365 SG CYS A 91 24.883 -2.156 -6.945 1.00 3.50 S ATOM 0 H CYS A 91 21.467 -3.493 -4.152 1.00 1.55 H new ATOM 0 HA CYS A 91 22.604 -1.573 -5.912 1.00 1.80 H new ATOM 0 HB2 CYS A 91 24.183 -3.953 -5.501 1.00 2.07 H new ATOM 0 HB3 CYS A 91 23.453 -4.090 -7.088 1.00 2.07 H new ATOM 0 HG CYS A 91 25.950 -2.756 -7.381 1.00 3.50 H new ATOM 1371 N ALA A 92 21.047 -2.413 -7.764 1.00 2.09 N ATOM 1372 CA ALA A 92 20.007 -2.787 -8.721 1.00 2.37 C ATOM 1373 C ALA A 92 20.164 -4.248 -9.167 1.00 1.83 C ATOM 1374 O ALA A 92 19.185 -4.950 -9.412 1.00 1.79 O ATOM 1375 CB ALA A 92 20.047 -1.836 -9.920 1.00 3.11 C ATOM 0 H ALA A 92 21.602 -1.609 -8.057 1.00 2.09 H new ATOM 0 HA ALA A 92 19.035 -2.701 -8.236 1.00 2.37 H new ATOM 0 HB1 ALA A 92 19.271 -2.116 -10.633 1.00 3.11 H new ATOM 0 HB2 ALA A 92 19.876 -0.815 -9.580 1.00 3.11 H new ATOM 0 HB3 ALA A 92 21.022 -1.899 -10.402 1.00 3.11 H new ATOM 1381 N SER A 93 21.412 -4.720 -9.232 1.00 1.73 N ATOM 1382 CA SER A 93 21.716 -6.124 -9.462 1.00 1.67 C ATOM 1383 C SER A 93 20.950 -7.011 -8.468 1.00 1.43 C ATOM 1384 O SER A 93 20.354 -8.013 -8.860 1.00 1.40 O ATOM 1385 CB SER A 93 23.234 -6.341 -9.379 1.00 2.21 C ATOM 1386 OG SER A 93 23.585 -7.630 -9.835 1.00 2.16 O ATOM 0 H SER A 93 22.239 -4.132 -9.125 1.00 1.73 H new ATOM 0 HA SER A 93 21.389 -6.411 -10.461 1.00 1.67 H new ATOM 0 HB2 SER A 93 23.746 -5.587 -9.977 1.00 2.21 H new ATOM 0 HB3 SER A 93 23.568 -6.212 -8.350 1.00 2.21 H new ATOM 0 HG SER A 93 24.556 -7.745 -9.774 1.00 2.16 H new ATOM 1392 N CYS A 94 20.919 -6.624 -7.183 1.00 1.35 N ATOM 1393 CA CYS A 94 20.140 -7.356 -6.200 1.00 1.18 C ATOM 1394 C CYS A 94 18.670 -7.251 -6.577 1.00 1.01 C ATOM 1395 O CYS A 94 18.029 -8.282 -6.716 1.00 0.99 O ATOM 1396 CB CYS A 94 20.367 -6.869 -4.764 1.00 1.28 C ATOM 1397 SG CYS A 94 21.996 -7.365 -4.163 1.00 1.89 S ATOM 0 H CYS A 94 21.421 -5.817 -6.814 1.00 1.35 H new ATOM 0 HA CYS A 94 20.469 -8.395 -6.214 1.00 1.18 H new ATOM 0 HB2 CYS A 94 20.276 -5.783 -4.726 1.00 1.28 H new ATOM 0 HB3 CYS A 94 19.595 -7.277 -4.111 1.00 1.28 H new ATOM 0 HG CYS A 94 22.159 -6.936 -2.947 1.00 1.89 H new ATOM 1403 N VAL A 95 18.148 -6.033 -6.769 1.00 1.01 N ATOM 1404 CA VAL A 95 16.742 -5.782 -7.102 1.00 0.92 C ATOM 1405 C VAL A 95 16.252 -6.771 -8.163 1.00 0.88 C ATOM 1406 O VAL A 95 15.275 -7.489 -7.944 1.00 0.80 O ATOM 1407 CB VAL A 95 16.537 -4.321 -7.564 1.00 1.00 C ATOM 1408 CG1 VAL A 95 15.079 -4.047 -7.938 1.00 1.32 C ATOM 1409 CG2 VAL A 95 16.916 -3.311 -6.477 1.00 1.38 C ATOM 0 H VAL A 95 18.702 -5.180 -6.696 1.00 1.01 H new ATOM 0 HA VAL A 95 16.146 -5.933 -6.202 1.00 0.92 H new ATOM 0 HB VAL A 95 17.187 -4.200 -8.431 1.00 1.00 H new ATOM 0 HG11 VAL A 95 14.974 -3.010 -8.258 1.00 1.32 H new ATOM 0 HG12 VAL A 95 14.781 -4.709 -8.751 1.00 1.32 H new ATOM 0 HG13 VAL A 95 14.441 -4.226 -7.072 1.00 1.32 H new ATOM 0 HG21 VAL A 95 16.755 -2.299 -6.849 1.00 1.38 H new ATOM 0 HG22 VAL A 95 16.297 -3.476 -5.595 1.00 1.38 H new ATOM 0 HG23 VAL A 95 17.966 -3.438 -6.213 1.00 1.38 H new ATOM 1419 N HIS A 96 16.957 -6.834 -9.295 1.00 0.98 N ATOM 1420 CA HIS A 96 16.591 -7.732 -10.382 1.00 0.99 C ATOM 1421 C HIS A 96 16.585 -9.184 -9.912 1.00 1.00 C ATOM 1422 O HIS A 96 15.707 -9.954 -10.293 1.00 0.98 O ATOM 1423 CB HIS A 96 17.544 -7.560 -11.571 1.00 1.12 C ATOM 1424 CG HIS A 96 17.401 -6.256 -12.318 1.00 2.28 C ATOM 1425 ND1 HIS A 96 18.409 -5.620 -13.008 1.00 3.28 N ATOM 1426 CD2 HIS A 96 16.233 -5.593 -12.597 1.00 3.27 C ATOM 1427 CE1 HIS A 96 17.860 -4.588 -13.671 1.00 4.20 C ATOM 1428 NE2 HIS A 96 16.538 -4.529 -13.449 1.00 4.25 N ATOM 0 H HIS A 96 17.787 -6.270 -9.479 1.00 0.98 H new ATOM 0 HA HIS A 96 15.583 -7.473 -10.706 1.00 0.99 H new ATOM 0 HB2 HIS A 96 18.569 -7.645 -11.211 1.00 1.12 H new ATOM 0 HB3 HIS A 96 17.382 -8.381 -12.269 1.00 1.12 H new ATOM 0 HD2 HIS A 96 15.252 -5.848 -12.224 1.00 3.27 H new ATOM 0 HE1 HIS A 96 18.408 -3.900 -14.297 1.00 4.20 H new ATOM 0 HE2 HIS A 96 15.885 -3.843 -13.828 1.00 4.25 H new ATOM 1436 N ASN A 97 17.553 -9.575 -9.085 1.00 1.07 N ATOM 1437 CA ASN A 97 17.627 -10.929 -8.566 1.00 1.11 C ATOM 1438 C ASN A 97 16.449 -11.211 -7.626 1.00 1.00 C ATOM 1439 O ASN A 97 15.810 -12.254 -7.759 1.00 1.02 O ATOM 1440 CB ASN A 97 18.993 -11.170 -7.917 1.00 1.24 C ATOM 1441 CG ASN A 97 18.956 -12.391 -7.010 1.00 1.03 C ATOM 1442 OD1 ASN A 97 19.005 -13.531 -7.473 1.00 1.62 O ATOM 1443 ND2 ASN A 97 18.836 -12.144 -5.710 1.00 1.36 N ATOM 0 H ASN A 97 18.301 -8.962 -8.761 1.00 1.07 H new ATOM 0 HA ASN A 97 17.539 -11.642 -9.386 1.00 1.11 H new ATOM 0 HB2 ASN A 97 19.748 -11.310 -8.691 1.00 1.24 H new ATOM 0 HB3 ASN A 97 19.286 -10.293 -7.340 1.00 1.24 H new ATOM 0 HD21 ASN A 97 18.780 -12.917 -5.047 1.00 1.36 H new ATOM 0 HD22 ASN A 97 18.800 -11.181 -5.375 1.00 1.36 H new ATOM 1450 N ILE A 98 16.139 -10.299 -6.698 1.00 0.92 N ATOM 1451 CA ILE A 98 14.992 -10.443 -5.814 1.00 0.84 C ATOM 1452 C ILE A 98 13.735 -10.628 -6.670 1.00 0.78 C ATOM 1453 O ILE A 98 12.981 -11.579 -6.473 1.00 0.82 O ATOM 1454 CB ILE A 98 14.851 -9.243 -4.850 1.00 0.78 C ATOM 1455 CG1 ILE A 98 16.119 -8.840 -4.072 1.00 1.30 C ATOM 1456 CG2 ILE A 98 13.745 -9.541 -3.836 1.00 0.89 C ATOM 1457 CD1 ILE A 98 16.882 -9.985 -3.404 1.00 1.62 C ATOM 0 H ILE A 98 16.677 -9.446 -6.544 1.00 0.92 H new ATOM 0 HA ILE A 98 15.136 -11.320 -5.183 1.00 0.84 H new ATOM 0 HB ILE A 98 14.623 -8.397 -5.498 1.00 0.78 H new ATOM 0 HG12 ILE A 98 16.795 -8.329 -4.757 1.00 1.30 H new ATOM 0 HG13 ILE A 98 15.838 -8.119 -3.304 1.00 1.30 H new ATOM 0 HG21 ILE A 98 13.641 -8.698 -3.153 1.00 0.89 H new ATOM 0 HG22 ILE A 98 12.803 -9.701 -4.361 1.00 0.89 H new ATOM 0 HG23 ILE A 98 14.002 -10.437 -3.270 1.00 0.89 H new ATOM 0 HD11 ILE A 98 17.755 -9.587 -2.886 1.00 1.62 H new ATOM 0 HD12 ILE A 98 16.232 -10.486 -2.687 1.00 1.62 H new ATOM 0 HD13 ILE A 98 17.204 -10.699 -4.162 1.00 1.62 H new ATOM 1469 N GLU A 99 13.528 -9.746 -7.653 1.00 0.74 N ATOM 1470 CA GLU A 99 12.378 -9.828 -8.522 1.00 0.72 C ATOM 1471 C GLU A 99 12.375 -11.160 -9.260 1.00 0.84 C ATOM 1472 O GLU A 99 11.350 -11.828 -9.268 1.00 0.90 O ATOM 1473 CB GLU A 99 12.261 -8.608 -9.445 1.00 0.69 C ATOM 1474 CG GLU A 99 10.787 -8.205 -9.492 1.00 0.86 C ATOM 1475 CD GLU A 99 10.528 -7.069 -10.469 1.00 1.22 C ATOM 1476 OE1 GLU A 99 10.424 -7.384 -11.673 1.00 2.11 O ATOM 1477 OE2 GLU A 99 10.437 -5.919 -9.988 1.00 1.95 O ATOM 0 H GLU A 99 14.154 -8.967 -7.857 1.00 0.74 H new ATOM 0 HA GLU A 99 11.475 -9.799 -7.913 1.00 0.72 H new ATOM 0 HB2 GLU A 99 12.871 -7.786 -9.072 1.00 0.69 H new ATOM 0 HB3 GLU A 99 12.625 -8.847 -10.444 1.00 0.69 H new ATOM 0 HG2 GLU A 99 10.186 -9.069 -9.776 1.00 0.86 H new ATOM 0 HG3 GLU A 99 10.463 -7.905 -8.495 1.00 0.86 H new ATOM 1484 N SER A 100 13.511 -11.593 -9.811 1.00 0.92 N ATOM 1485 CA SER A 100 13.629 -12.893 -10.459 1.00 1.08 C ATOM 1486 C SER A 100 13.211 -14.032 -9.521 1.00 1.15 C ATOM 1487 O SER A 100 12.581 -14.994 -9.958 1.00 1.43 O ATOM 1488 CB SER A 100 15.054 -13.116 -10.969 1.00 1.20 C ATOM 1489 OG SER A 100 15.410 -12.133 -11.918 1.00 2.71 O ATOM 0 H SER A 100 14.374 -11.049 -9.818 1.00 0.92 H new ATOM 0 HA SER A 100 12.948 -12.897 -11.310 1.00 1.08 H new ATOM 0 HB2 SER A 100 15.752 -13.089 -10.132 1.00 1.20 H new ATOM 0 HB3 SER A 100 15.133 -14.106 -11.418 1.00 1.20 H new ATOM 0 HG SER A 100 15.658 -11.306 -11.455 1.00 2.71 H new ATOM 1495 N LYS A 101 13.579 -13.949 -8.237 1.00 1.01 N ATOM 1496 CA LYS A 101 13.163 -14.925 -7.246 1.00 1.03 C ATOM 1497 C LYS A 101 11.660 -14.832 -6.975 1.00 1.00 C ATOM 1498 O LYS A 101 11.005 -15.859 -6.823 1.00 1.07 O ATOM 1499 CB LYS A 101 13.975 -14.763 -5.954 1.00 1.00 C ATOM 1500 CG LYS A 101 15.201 -15.686 -5.923 1.00 1.24 C ATOM 1501 CD LYS A 101 16.360 -15.088 -6.724 1.00 1.48 C ATOM 1502 CE LYS A 101 17.544 -16.070 -6.772 1.00 2.17 C ATOM 1503 NZ LYS A 101 17.973 -16.337 -8.157 1.00 2.98 N ATOM 0 H LYS A 101 14.170 -13.205 -7.866 1.00 1.01 H new ATOM 0 HA LYS A 101 13.361 -15.920 -7.645 1.00 1.03 H new ATOM 0 HB2 LYS A 101 14.299 -13.727 -5.858 1.00 1.00 H new ATOM 0 HB3 LYS A 101 13.338 -14.979 -5.096 1.00 1.00 H new ATOM 0 HG2 LYS A 101 15.513 -15.847 -4.891 1.00 1.24 H new ATOM 0 HG3 LYS A 101 14.937 -16.661 -6.332 1.00 1.24 H new ATOM 0 HD2 LYS A 101 16.029 -14.858 -7.737 1.00 1.48 H new ATOM 0 HD3 LYS A 101 16.677 -14.149 -6.271 1.00 1.48 H new ATOM 0 HE2 LYS A 101 18.380 -15.661 -6.204 1.00 2.17 H new ATOM 0 HE3 LYS A 101 17.260 -17.006 -6.292 1.00 2.17 H new ATOM 0 HZ1 LYS A 101 18.586 -17.177 -8.175 1.00 2.98 H new ATOM 0 HZ2 LYS A 101 17.137 -16.506 -8.753 1.00 2.98 H new ATOM 0 HZ3 LYS A 101 18.498 -15.517 -8.522 1.00 2.98 H new ATOM 1517 N LEU A 102 11.091 -13.626 -6.924 1.00 0.95 N ATOM 1518 CA LEU A 102 9.667 -13.473 -6.667 1.00 0.99 C ATOM 1519 C LEU A 102 8.904 -14.043 -7.850 1.00 1.02 C ATOM 1520 O LEU A 102 8.133 -14.986 -7.692 1.00 1.11 O ATOM 1521 CB LEU A 102 9.313 -12.002 -6.447 1.00 1.06 C ATOM 1522 CG LEU A 102 9.798 -11.510 -5.078 1.00 1.01 C ATOM 1523 CD1 LEU A 102 9.999 -10.001 -5.166 1.00 1.70 C ATOM 1524 CD2 LEU A 102 8.775 -11.824 -3.983 1.00 1.53 C ATOM 0 H LEU A 102 11.595 -12.749 -7.057 1.00 0.95 H new ATOM 0 HA LEU A 102 9.393 -14.011 -5.760 1.00 0.99 H new ATOM 0 HB2 LEU A 102 9.763 -11.396 -7.234 1.00 1.06 H new ATOM 0 HB3 LEU A 102 8.233 -11.871 -6.521 1.00 1.06 H new ATOM 0 HG LEU A 102 10.729 -12.016 -4.821 1.00 1.01 H new ATOM 0 HD11 LEU A 102 10.345 -9.623 -4.204 1.00 1.70 H new ATOM 0 HD12 LEU A 102 10.742 -9.777 -5.932 1.00 1.70 H new ATOM 0 HD13 LEU A 102 9.055 -9.523 -5.425 1.00 1.70 H new ATOM 0 HD21 LEU A 102 9.146 -11.463 -3.024 1.00 1.53 H new ATOM 0 HD22 LEU A 102 7.831 -11.331 -4.215 1.00 1.53 H new ATOM 0 HD23 LEU A 102 8.618 -12.901 -3.930 1.00 1.53 H new ATOM 1536 N THR A 103 9.167 -13.502 -9.040 1.00 1.01 N ATOM 1537 CA THR A 103 8.589 -13.954 -10.302 1.00 1.14 C ATOM 1538 C THR A 103 8.863 -15.433 -10.594 1.00 1.33 C ATOM 1539 O THR A 103 8.217 -16.016 -11.461 1.00 1.58 O ATOM 1540 CB THR A 103 8.993 -13.031 -11.457 1.00 1.06 C ATOM 1541 OG1 THR A 103 10.384 -12.851 -11.514 1.00 2.09 O ATOM 1542 CG2 THR A 103 8.322 -11.658 -11.336 1.00 1.52 C ATOM 0 H THR A 103 9.806 -12.715 -9.154 1.00 1.01 H new ATOM 0 HA THR A 103 7.506 -13.885 -10.199 1.00 1.14 H new ATOM 0 HB THR A 103 8.658 -13.519 -12.373 1.00 1.06 H new ATOM 0 HG1 THR A 103 10.660 -12.212 -10.824 1.00 2.09 H new ATOM 0 HG21 THR A 103 8.630 -11.028 -12.170 1.00 1.52 H new ATOM 0 HG22 THR A 103 7.239 -11.780 -11.353 1.00 1.52 H new ATOM 0 HG23 THR A 103 8.620 -11.189 -10.398 1.00 1.52 H new ATOM 1550 N ARG A 104 9.814 -16.058 -9.892 1.00 1.28 N ATOM 1551 CA ARG A 104 9.955 -17.514 -9.921 1.00 1.41 C ATOM 1552 C ARG A 104 8.642 -18.217 -9.540 1.00 1.45 C ATOM 1553 O ARG A 104 8.340 -19.294 -10.051 1.00 1.63 O ATOM 1554 CB ARG A 104 11.087 -17.956 -8.983 1.00 1.29 C ATOM 1555 CG ARG A 104 11.814 -19.218 -9.460 1.00 1.54 C ATOM 1556 CD ARG A 104 12.869 -18.912 -10.537 1.00 2.25 C ATOM 1557 NE ARG A 104 12.537 -19.527 -11.832 1.00 2.83 N ATOM 1558 CZ ARG A 104 12.092 -18.901 -12.937 1.00 4.23 C ATOM 1559 NH1 ARG A 104 11.816 -17.591 -12.922 1.00 5.50 N ATOM 1560 NH2 ARG A 104 11.932 -19.604 -14.064 1.00 5.01 N ATOM 0 H ARG A 104 10.493 -15.580 -9.300 1.00 1.28 H new ATOM 0 HA ARG A 104 10.203 -17.804 -10.942 1.00 1.41 H new ATOM 0 HB2 ARG A 104 11.808 -17.144 -8.888 1.00 1.29 H new ATOM 0 HB3 ARG A 104 10.676 -18.136 -7.989 1.00 1.29 H new ATOM 0 HG2 ARG A 104 12.296 -19.701 -8.610 1.00 1.54 H new ATOM 0 HG3 ARG A 104 11.086 -19.925 -9.858 1.00 1.54 H new ATOM 0 HD2 ARG A 104 12.956 -17.833 -10.661 1.00 2.25 H new ATOM 0 HD3 ARG A 104 13.842 -19.274 -10.204 1.00 2.25 H new ATOM 0 HE ARG A 104 12.657 -20.538 -11.899 1.00 2.83 H new ATOM 0 HH11 ARG A 104 11.942 -17.053 -12.065 1.00 5.50 H new ATOM 0 HH12 ARG A 104 11.479 -17.131 -13.768 1.00 5.50 H new ATOM 0 HH21 ARG A 104 12.147 -20.601 -14.078 1.00 5.01 H new ATOM 0 HH22 ARG A 104 11.595 -19.143 -14.909 1.00 5.01 H new ATOM 1574 N THR A 105 7.896 -17.624 -8.609 1.00 1.36 N ATOM 1575 CA THR A 105 6.675 -18.160 -8.036 1.00 1.44 C ATOM 1576 C THR A 105 5.557 -18.227 -9.083 1.00 1.61 C ATOM 1577 O THR A 105 5.432 -17.341 -9.922 1.00 1.62 O ATOM 1578 CB THR A 105 6.278 -17.262 -6.854 1.00 1.38 C ATOM 1579 OG1 THR A 105 7.394 -17.005 -6.024 1.00 1.77 O ATOM 1580 CG2 THR A 105 5.207 -17.909 -5.986 1.00 1.71 C ATOM 0 H THR A 105 8.143 -16.714 -8.219 1.00 1.36 H new ATOM 0 HA THR A 105 6.839 -19.181 -7.690 1.00 1.44 H new ATOM 0 HB THR A 105 5.894 -16.338 -7.287 1.00 1.38 H new ATOM 0 HG1 THR A 105 7.867 -16.210 -6.348 1.00 1.77 H new ATOM 0 HG21 THR A 105 4.955 -17.242 -5.162 1.00 1.71 H new ATOM 0 HG22 THR A 105 4.317 -18.097 -6.586 1.00 1.71 H new ATOM 0 HG23 THR A 105 5.582 -18.852 -5.588 1.00 1.71 H new ATOM 1588 N ASN A 106 4.710 -19.256 -9.001 1.00 1.82 N ATOM 1589 CA ASN A 106 3.557 -19.437 -9.879 1.00 1.98 C ATOM 1590 C ASN A 106 2.487 -18.372 -9.624 1.00 1.88 C ATOM 1591 O ASN A 106 1.934 -17.808 -10.563 1.00 1.83 O ATOM 1592 CB ASN A 106 2.957 -20.842 -9.684 1.00 2.24 C ATOM 1593 CG ASN A 106 2.390 -21.035 -8.277 1.00 2.21 C ATOM 1594 OD1 ASN A 106 3.034 -20.662 -7.299 1.00 2.69 O ATOM 1595 ND2 ASN A 106 1.170 -21.547 -8.150 1.00 2.40 N ATOM 0 H ASN A 106 4.810 -19.999 -8.309 1.00 1.82 H new ATOM 0 HA ASN A 106 3.901 -19.330 -10.908 1.00 1.98 H new ATOM 0 HB2 ASN A 106 2.167 -21.004 -10.418 1.00 2.24 H new ATOM 0 HB3 ASN A 106 3.725 -21.593 -9.871 1.00 2.24 H new ATOM 0 HD21 ASN A 106 0.749 -21.637 -7.226 1.00 2.40 H new ATOM 0 HD22 ASN A 106 0.655 -21.850 -8.977 1.00 2.40 H new ATOM 1602 N GLY A 107 2.153 -18.141 -8.352 1.00 1.89 N ATOM 1603 CA GLY A 107 1.000 -17.341 -7.970 1.00 1.88 C ATOM 1604 C GLY A 107 1.230 -15.842 -8.133 1.00 1.63 C ATOM 1605 O GLY A 107 0.266 -15.083 -8.195 1.00 1.52 O ATOM 0 H GLY A 107 2.680 -18.507 -7.560 1.00 1.89 H new ATOM 0 HA2 GLY A 107 0.143 -17.639 -8.574 1.00 1.88 H new ATOM 0 HA3 GLY A 107 0.747 -17.553 -6.931 1.00 1.88 H new ATOM 1609 N ILE A 108 2.490 -15.402 -8.153 1.00 1.62 N ATOM 1610 CA ILE A 108 2.810 -13.997 -8.351 1.00 1.50 C ATOM 1611 C ILE A 108 2.679 -13.672 -9.840 1.00 1.58 C ATOM 1612 O ILE A 108 2.792 -14.548 -10.695 1.00 1.63 O ATOM 1613 CB ILE A 108 4.209 -13.687 -7.772 1.00 1.36 C ATOM 1614 CG1 ILE A 108 4.347 -12.335 -7.044 1.00 1.44 C ATOM 1615 CG2 ILE A 108 5.331 -13.849 -8.799 1.00 1.42 C ATOM 1616 CD1 ILE A 108 4.451 -11.075 -7.912 1.00 2.29 C ATOM 0 H ILE A 108 3.304 -16.005 -8.034 1.00 1.62 H new ATOM 0 HA ILE A 108 2.113 -13.354 -7.813 1.00 1.50 H new ATOM 0 HB ILE A 108 4.319 -14.452 -7.003 1.00 1.36 H new ATOM 0 HG12 ILE A 108 3.488 -12.219 -6.383 1.00 1.44 H new ATOM 0 HG13 ILE A 108 5.233 -12.382 -6.411 1.00 1.44 H new ATOM 0 HG21 ILE A 108 6.288 -13.617 -8.332 1.00 1.42 H new ATOM 0 HG22 ILE A 108 5.345 -14.876 -9.164 1.00 1.42 H new ATOM 0 HG23 ILE A 108 5.161 -13.169 -9.634 1.00 1.42 H new ATOM 0 HD11 ILE A 108 4.543 -10.198 -7.271 1.00 2.29 H new ATOM 0 HD12 ILE A 108 5.328 -11.148 -8.556 1.00 2.29 H new ATOM 0 HD13 ILE A 108 3.556 -10.982 -8.527 1.00 2.29 H new ATOM 1628 N THR A 109 2.462 -12.403 -10.173 1.00 1.74 N ATOM 1629 CA THR A 109 2.573 -11.927 -11.552 1.00 1.97 C ATOM 1630 C THR A 109 3.237 -10.549 -11.641 1.00 1.63 C ATOM 1631 O THR A 109 4.023 -10.305 -12.553 1.00 1.68 O ATOM 1632 CB THR A 109 1.191 -11.982 -12.220 1.00 2.49 C ATOM 1633 OG1 THR A 109 0.731 -13.320 -12.223 1.00 3.29 O ATOM 1634 CG2 THR A 109 1.212 -11.479 -13.667 1.00 3.40 C ATOM 0 H THR A 109 2.206 -11.679 -9.502 1.00 1.74 H new ATOM 0 HA THR A 109 3.240 -12.589 -12.105 1.00 1.97 H new ATOM 0 HB THR A 109 0.532 -11.330 -11.647 1.00 2.49 H new ATOM 0 HG1 THR A 109 -0.152 -13.362 -12.647 1.00 3.29 H new ATOM 0 HG21 THR A 109 0.209 -11.541 -14.088 1.00 3.40 H new ATOM 0 HG22 THR A 109 1.551 -10.443 -13.687 1.00 3.40 H new ATOM 0 HG23 THR A 109 1.892 -12.095 -14.256 1.00 3.40 H new ATOM 1642 N TYR A 110 2.920 -9.639 -10.717 1.00 1.40 N ATOM 1643 CA TYR A 110 3.271 -8.232 -10.798 1.00 1.14 C ATOM 1644 C TYR A 110 3.951 -7.866 -9.479 1.00 1.07 C ATOM 1645 O TYR A 110 3.273 -7.553 -8.504 1.00 1.18 O ATOM 1646 CB TYR A 110 1.952 -7.485 -11.102 1.00 1.36 C ATOM 1647 CG TYR A 110 1.776 -6.032 -10.695 1.00 1.14 C ATOM 1648 CD1 TYR A 110 2.852 -5.125 -10.676 1.00 2.19 C ATOM 1649 CD2 TYR A 110 0.491 -5.592 -10.316 1.00 1.67 C ATOM 1650 CE1 TYR A 110 2.663 -3.836 -10.142 1.00 2.59 C ATOM 1651 CE2 TYR A 110 0.320 -4.327 -9.727 1.00 1.68 C ATOM 1652 CZ TYR A 110 1.414 -3.458 -9.627 1.00 1.81 C ATOM 1653 OH TYR A 110 1.339 -2.405 -8.761 1.00 2.35 O ATOM 0 H TYR A 110 2.398 -9.873 -9.872 1.00 1.40 H new ATOM 0 HA TYR A 110 3.978 -7.964 -11.583 1.00 1.14 H new ATOM 0 HB2 TYR A 110 1.793 -7.539 -12.179 1.00 1.36 H new ATOM 0 HB3 TYR A 110 1.147 -8.050 -10.632 1.00 1.36 H new ATOM 0 HD1 TYR A 110 3.815 -5.416 -11.068 1.00 2.19 H new ATOM 0 HD2 TYR A 110 -0.365 -6.230 -10.479 1.00 1.67 H new ATOM 0 HE1 TYR A 110 3.484 -3.134 -10.129 1.00 2.59 H new ATOM 0 HE2 TYR A 110 -0.648 -4.027 -9.354 1.00 1.68 H new ATOM 0 HH TYR A 110 0.406 -2.117 -8.676 1.00 2.35 H new ATOM 1663 N ALA A 111 5.287 -7.904 -9.424 1.00 0.96 N ATOM 1664 CA ALA A 111 6.002 -7.327 -8.298 1.00 0.89 C ATOM 1665 C ALA A 111 6.441 -5.920 -8.690 1.00 0.85 C ATOM 1666 O ALA A 111 6.575 -5.607 -9.872 1.00 0.98 O ATOM 1667 CB ALA A 111 7.215 -8.192 -7.944 1.00 0.99 C ATOM 0 H ALA A 111 5.881 -8.324 -10.139 1.00 0.96 H new ATOM 0 HA ALA A 111 5.357 -7.284 -7.420 1.00 0.89 H new ATOM 0 HB1 ALA A 111 7.743 -7.750 -7.099 1.00 0.99 H new ATOM 0 HB2 ALA A 111 6.881 -9.195 -7.679 1.00 0.99 H new ATOM 0 HB3 ALA A 111 7.885 -8.247 -8.802 1.00 0.99 H new ATOM 1673 N SER A 112 6.647 -5.052 -7.703 1.00 0.80 N ATOM 1674 CA SER A 112 7.462 -3.856 -7.907 1.00 0.80 C ATOM 1675 C SER A 112 8.332 -3.594 -6.682 1.00 0.79 C ATOM 1676 O SER A 112 7.805 -3.254 -5.626 1.00 0.87 O ATOM 1677 CB SER A 112 6.575 -2.658 -8.246 1.00 0.89 C ATOM 1678 OG SER A 112 5.804 -2.955 -9.392 1.00 1.85 O ATOM 0 H SER A 112 6.265 -5.152 -6.762 1.00 0.80 H new ATOM 0 HA SER A 112 8.129 -4.017 -8.754 1.00 0.80 H new ATOM 0 HB2 SER A 112 5.922 -2.425 -7.405 1.00 0.89 H new ATOM 0 HB3 SER A 112 7.189 -1.776 -8.426 1.00 0.89 H new ATOM 0 HG SER A 112 6.085 -3.819 -9.760 1.00 1.85 H new ATOM 1684 N VAL A 113 9.648 -3.763 -6.822 1.00 0.76 N ATOM 1685 CA VAL A 113 10.626 -3.593 -5.754 1.00 0.79 C ATOM 1686 C VAL A 113 11.384 -2.270 -5.920 1.00 0.89 C ATOM 1687 O VAL A 113 11.803 -1.934 -7.025 1.00 1.02 O ATOM 1688 CB VAL A 113 11.513 -4.847 -5.667 1.00 0.74 C ATOM 1689 CG1 VAL A 113 11.998 -5.325 -7.041 1.00 2.01 C ATOM 1690 CG2 VAL A 113 12.679 -4.651 -4.695 1.00 1.62 C ATOM 0 H VAL A 113 10.072 -4.030 -7.710 1.00 0.76 H new ATOM 0 HA VAL A 113 10.132 -3.508 -4.786 1.00 0.79 H new ATOM 0 HB VAL A 113 10.882 -5.641 -5.268 1.00 0.74 H new ATOM 0 HG11 VAL A 113 12.619 -6.212 -6.919 1.00 2.01 H new ATOM 0 HG12 VAL A 113 11.139 -5.567 -7.666 1.00 2.01 H new ATOM 0 HG13 VAL A 113 12.581 -4.536 -7.516 1.00 2.01 H new ATOM 0 HG21 VAL A 113 13.282 -5.559 -4.662 1.00 1.62 H new ATOM 0 HG22 VAL A 113 13.296 -3.818 -5.031 1.00 1.62 H new ATOM 0 HG23 VAL A 113 12.291 -4.437 -3.699 1.00 1.62 H new ATOM 1700 N ALA A 114 11.524 -1.504 -4.829 1.00 0.93 N ATOM 1701 CA ALA A 114 12.044 -0.143 -4.835 1.00 1.12 C ATOM 1702 C ALA A 114 12.983 0.087 -3.643 1.00 1.25 C ATOM 1703 O ALA A 114 12.548 0.272 -2.504 1.00 1.44 O ATOM 1704 CB ALA A 114 10.871 0.841 -4.823 1.00 1.23 C ATOM 0 H ALA A 114 11.270 -1.829 -3.896 1.00 0.93 H new ATOM 0 HA ALA A 114 12.630 0.019 -5.739 1.00 1.12 H new ATOM 0 HB1 ALA A 114 11.253 1.862 -4.827 1.00 1.23 H new ATOM 0 HB2 ALA A 114 10.253 0.681 -5.706 1.00 1.23 H new ATOM 0 HB3 ALA A 114 10.272 0.682 -3.927 1.00 1.23 H new ATOM 1710 N LEU A 115 14.289 0.120 -3.916 1.00 1.27 N ATOM 1711 CA LEU A 115 15.331 0.348 -2.918 1.00 1.44 C ATOM 1712 C LEU A 115 15.344 1.784 -2.399 1.00 1.58 C ATOM 1713 O LEU A 115 15.854 2.035 -1.312 1.00 1.63 O ATOM 1714 CB LEU A 115 16.702 -0.108 -3.444 1.00 1.57 C ATOM 1715 CG LEU A 115 17.381 0.728 -4.549 1.00 1.67 C ATOM 1716 CD1 LEU A 115 18.022 2.029 -4.045 1.00 2.75 C ATOM 1717 CD2 LEU A 115 18.518 -0.111 -5.148 1.00 2.16 C ATOM 0 H LEU A 115 14.657 -0.014 -4.858 1.00 1.27 H new ATOM 0 HA LEU A 115 15.095 -0.269 -2.051 1.00 1.44 H new ATOM 0 HB2 LEU A 115 17.385 -0.153 -2.595 1.00 1.57 H new ATOM 0 HB3 LEU A 115 16.592 -1.126 -3.819 1.00 1.57 H new ATOM 0 HG LEU A 115 16.599 0.991 -5.261 1.00 1.67 H new ATOM 0 HD11 LEU A 115 18.478 2.558 -4.882 1.00 2.75 H new ATOM 0 HD12 LEU A 115 17.257 2.659 -3.590 1.00 2.75 H new ATOM 0 HD13 LEU A 115 18.787 1.795 -3.304 1.00 2.75 H new ATOM 0 HD21 LEU A 115 19.015 0.458 -5.933 1.00 2.16 H new ATOM 0 HD22 LEU A 115 19.238 -0.358 -4.368 1.00 2.16 H new ATOM 0 HD23 LEU A 115 18.109 -1.030 -5.569 1.00 2.16 H new ATOM 1729 N ALA A 116 14.780 2.727 -3.164 1.00 1.67 N ATOM 1730 CA ALA A 116 14.749 4.133 -2.785 1.00 1.81 C ATOM 1731 C ALA A 116 13.989 4.287 -1.471 1.00 1.83 C ATOM 1732 O ALA A 116 14.387 5.045 -0.591 1.00 1.94 O ATOM 1733 CB ALA A 116 14.092 4.948 -3.903 1.00 1.89 C ATOM 0 H ALA A 116 14.335 2.531 -4.060 1.00 1.67 H new ATOM 0 HA ALA A 116 15.763 4.505 -2.641 1.00 1.81 H new ATOM 0 HB1 ALA A 116 14.068 6.000 -3.620 1.00 1.89 H new ATOM 0 HB2 ALA A 116 14.665 4.832 -4.823 1.00 1.89 H new ATOM 0 HB3 ALA A 116 13.074 4.592 -4.063 1.00 1.89 H new ATOM 1739 N THR A 117 12.898 3.530 -1.352 1.00 1.75 N ATOM 1740 CA THR A 117 12.147 3.381 -0.122 1.00 1.76 C ATOM 1741 C THR A 117 12.711 2.214 0.701 1.00 1.49 C ATOM 1742 O THR A 117 12.689 2.259 1.928 1.00 1.46 O ATOM 1743 CB THR A 117 10.639 3.275 -0.439 1.00 1.96 C ATOM 1744 OG1 THR A 117 9.986 2.526 0.558 1.00 2.34 O ATOM 1745 CG2 THR A 117 10.274 2.650 -1.789 1.00 1.97 C ATOM 0 H THR A 117 12.510 2.995 -2.129 1.00 1.75 H new ATOM 0 HA THR A 117 12.257 4.264 0.508 1.00 1.76 H new ATOM 0 HB THR A 117 10.312 4.314 -0.477 1.00 1.96 H new ATOM 0 HG1 THR A 117 9.061 2.838 0.648 1.00 2.34 H new ATOM 0 HG21 THR A 117 9.190 2.629 -1.899 1.00 1.97 H new ATOM 0 HG22 THR A 117 10.709 3.242 -2.594 1.00 1.97 H new ATOM 0 HG23 THR A 117 10.663 1.633 -1.836 1.00 1.97 H new ATOM 1753 N SER A 118 13.191 1.150 0.045 1.00 1.42 N ATOM 1754 CA SER A 118 13.538 -0.111 0.682 1.00 1.34 C ATOM 1755 C SER A 118 12.245 -0.849 1.021 1.00 1.36 C ATOM 1756 O SER A 118 12.096 -1.411 2.108 1.00 1.61 O ATOM 1757 CB SER A 118 14.497 0.063 1.874 1.00 1.34 C ATOM 1758 OG SER A 118 15.388 -1.038 1.980 1.00 2.36 O ATOM 0 H SER A 118 13.349 1.149 -0.963 1.00 1.42 H new ATOM 0 HA SER A 118 14.112 -0.727 -0.011 1.00 1.34 H new ATOM 0 HB2 SER A 118 15.066 0.985 1.755 1.00 1.34 H new ATOM 0 HB3 SER A 118 13.923 0.160 2.795 1.00 1.34 H new ATOM 0 HG SER A 118 14.880 -1.851 2.184 1.00 2.36 H new ATOM 1764 N LYS A 119 11.318 -0.879 0.053 1.00 1.21 N ATOM 1765 CA LYS A 119 10.190 -1.784 0.100 1.00 1.22 C ATOM 1766 C LYS A 119 9.958 -2.458 -1.241 1.00 1.00 C ATOM 1767 O LYS A 119 10.523 -2.053 -2.257 1.00 0.92 O ATOM 1768 CB LYS A 119 8.944 -1.070 0.634 1.00 1.64 C ATOM 1769 CG LYS A 119 8.330 -0.076 -0.367 1.00 1.94 C ATOM 1770 CD LYS A 119 6.928 -0.464 -0.865 1.00 3.22 C ATOM 1771 CE LYS A 119 5.874 -0.691 0.229 1.00 3.94 C ATOM 1772 NZ LYS A 119 5.610 0.464 1.100 1.00 4.07 N ATOM 0 H LYS A 119 11.339 -0.278 -0.771 1.00 1.21 H new ATOM 0 HA LYS A 119 10.421 -2.586 0.802 1.00 1.22 H new ATOM 0 HB2 LYS A 119 8.194 -1.815 0.900 1.00 1.64 H new ATOM 0 HB3 LYS A 119 9.204 -0.538 1.549 1.00 1.64 H new ATOM 0 HG2 LYS A 119 8.277 0.907 0.101 1.00 1.94 H new ATOM 0 HG3 LYS A 119 8.995 0.015 -1.225 1.00 1.94 H new ATOM 0 HD2 LYS A 119 6.570 0.319 -1.533 1.00 3.22 H new ATOM 0 HD3 LYS A 119 7.012 -1.375 -1.458 1.00 3.22 H new ATOM 0 HE2 LYS A 119 4.939 -0.987 -0.247 1.00 3.94 H new ATOM 0 HE3 LYS A 119 6.194 -1.527 0.850 1.00 3.94 H new ATOM 0 HZ1 LYS A 119 5.121 0.145 1.961 1.00 4.07 H new ATOM 0 HZ2 LYS A 119 6.510 0.915 1.360 1.00 4.07 H new ATOM 0 HZ3 LYS A 119 5.012 1.150 0.596 1.00 4.07 H new ATOM 1786 N ALA A 120 9.114 -3.485 -1.227 1.00 1.01 N ATOM 1787 CA ALA A 120 8.624 -4.159 -2.404 1.00 0.97 C ATOM 1788 C ALA A 120 7.127 -4.357 -2.263 1.00 1.00 C ATOM 1789 O ALA A 120 6.646 -4.643 -1.168 1.00 1.05 O ATOM 1790 CB ALA A 120 9.346 -5.495 -2.588 1.00 1.13 C ATOM 0 H ALA A 120 8.745 -3.877 -0.361 1.00 1.01 H new ATOM 0 HA ALA A 120 8.821 -3.556 -3.290 1.00 0.97 H new ATOM 0 HB1 ALA A 120 8.967 -5.994 -3.480 1.00 1.13 H new ATOM 0 HB2 ALA A 120 10.416 -5.318 -2.698 1.00 1.13 H new ATOM 0 HB3 ALA A 120 9.170 -6.126 -1.717 1.00 1.13 H new ATOM 1796 N LEU A 121 6.423 -4.199 -3.383 1.00 1.02 N ATOM 1797 CA LEU A 121 5.033 -4.549 -3.564 1.00 1.13 C ATOM 1798 C LEU A 121 5.025 -5.906 -4.254 1.00 0.99 C ATOM 1799 O LEU A 121 5.798 -6.111 -5.191 1.00 0.90 O ATOM 1800 CB LEU A 121 4.332 -3.546 -4.493 1.00 1.38 C ATOM 1801 CG LEU A 121 4.295 -2.068 -4.078 1.00 1.51 C ATOM 1802 CD1 LEU A 121 3.885 -1.963 -2.620 1.00 2.02 C ATOM 1803 CD2 LEU A 121 5.583 -1.273 -4.311 1.00 1.68 C ATOM 0 H LEU A 121 6.837 -3.802 -4.226 1.00 1.02 H new ATOM 0 HA LEU A 121 4.518 -4.553 -2.604 1.00 1.13 H new ATOM 0 HB2 LEU A 121 4.814 -3.605 -5.469 1.00 1.38 H new ATOM 0 HB3 LEU A 121 3.303 -3.879 -4.625 1.00 1.38 H new ATOM 0 HG LEU A 121 3.562 -1.607 -4.740 1.00 1.51 H new ATOM 0 HD11 LEU A 121 3.858 -0.914 -2.324 1.00 2.02 H new ATOM 0 HD12 LEU A 121 2.896 -2.403 -2.487 1.00 2.02 H new ATOM 0 HD13 LEU A 121 4.605 -2.497 -2.000 1.00 2.02 H new ATOM 0 HD21 LEU A 121 5.440 -0.244 -3.981 1.00 1.68 H new ATOM 0 HD22 LEU A 121 6.397 -1.726 -3.745 1.00 1.68 H new ATOM 0 HD23 LEU A 121 5.830 -1.283 -5.373 1.00 1.68 H new ATOM 1815 N VAL A 122 4.145 -6.810 -3.829 1.00 1.13 N ATOM 1816 CA VAL A 122 4.038 -8.148 -4.390 1.00 1.07 C ATOM 1817 C VAL A 122 2.559 -8.485 -4.559 1.00 1.26 C ATOM 1818 O VAL A 122 1.763 -8.260 -3.647 1.00 1.41 O ATOM 1819 CB VAL A 122 4.822 -9.151 -3.521 1.00 1.01 C ATOM 1820 CG1 VAL A 122 4.243 -9.360 -2.115 1.00 1.85 C ATOM 1821 CG2 VAL A 122 4.931 -10.492 -4.248 1.00 2.95 C ATOM 0 H VAL A 122 3.480 -6.629 -3.077 1.00 1.13 H new ATOM 0 HA VAL A 122 4.494 -8.205 -5.378 1.00 1.07 H new ATOM 0 HB VAL A 122 5.809 -8.712 -3.372 1.00 1.01 H new ATOM 0 HG11 VAL A 122 4.855 -10.080 -1.573 1.00 1.85 H new ATOM 0 HG12 VAL A 122 4.238 -8.411 -1.579 1.00 1.85 H new ATOM 0 HG13 VAL A 122 3.223 -9.737 -2.194 1.00 1.85 H new ATOM 0 HG21 VAL A 122 5.486 -11.197 -3.629 1.00 2.95 H new ATOM 0 HG22 VAL A 122 3.932 -10.885 -4.439 1.00 2.95 H new ATOM 0 HG23 VAL A 122 5.453 -10.351 -5.195 1.00 2.95 H new ATOM 1831 N LYS A 123 2.189 -8.950 -5.756 1.00 1.32 N ATOM 1832 CA LYS A 123 0.821 -9.248 -6.124 1.00 1.52 C ATOM 1833 C LYS A 123 0.707 -10.748 -6.341 1.00 1.56 C ATOM 1834 O LYS A 123 1.206 -11.241 -7.353 1.00 1.56 O ATOM 1835 CB LYS A 123 0.418 -8.465 -7.381 1.00 1.62 C ATOM 1836 CG LYS A 123 0.156 -6.991 -7.058 1.00 1.48 C ATOM 1837 CD LYS A 123 1.357 -6.053 -6.862 1.00 2.20 C ATOM 1838 CE LYS A 123 0.936 -4.931 -5.920 1.00 2.54 C ATOM 1839 NZ LYS A 123 1.384 -3.586 -6.335 1.00 3.43 N ATOM 0 H LYS A 123 2.856 -9.130 -6.507 1.00 1.32 H new ATOM 0 HA LYS A 123 0.139 -8.944 -5.330 1.00 1.52 H new ATOM 0 HB2 LYS A 123 1.208 -8.541 -8.128 1.00 1.62 H new ATOM 0 HB3 LYS A 123 -0.477 -8.909 -7.817 1.00 1.62 H new ATOM 0 HG2 LYS A 123 -0.456 -6.581 -7.861 1.00 1.48 H new ATOM 0 HG3 LYS A 123 -0.444 -6.954 -6.149 1.00 1.48 H new ATOM 0 HD2 LYS A 123 2.203 -6.600 -6.447 1.00 2.20 H new ATOM 0 HD3 LYS A 123 1.680 -5.644 -7.819 1.00 2.20 H new ATOM 0 HE2 LYS A 123 -0.151 -4.930 -5.839 1.00 2.54 H new ATOM 0 HE3 LYS A 123 1.330 -5.141 -4.925 1.00 2.54 H new ATOM 0 HZ1 LYS A 123 1.029 -2.878 -5.661 1.00 3.43 H new ATOM 0 HZ2 LYS A 123 2.423 -3.556 -6.352 1.00 3.43 H new ATOM 0 HZ3 LYS A 123 1.016 -3.375 -7.284 1.00 3.43 H new ATOM 1853 N PHE A 124 0.084 -11.453 -5.391 1.00 1.68 N ATOM 1854 CA PHE A 124 -0.095 -12.908 -5.462 1.00 1.75 C ATOM 1855 C PHE A 124 -1.501 -13.326 -5.035 1.00 1.84 C ATOM 1856 O PHE A 124 -2.224 -12.519 -4.456 1.00 1.78 O ATOM 1857 CB PHE A 124 0.983 -13.647 -4.648 1.00 1.79 C ATOM 1858 CG PHE A 124 0.986 -13.411 -3.144 1.00 1.81 C ATOM 1859 CD1 PHE A 124 -0.012 -13.977 -2.326 1.00 2.40 C ATOM 1860 CD2 PHE A 124 2.042 -12.699 -2.544 1.00 2.25 C ATOM 1861 CE1 PHE A 124 -0.006 -13.753 -0.940 1.00 2.48 C ATOM 1862 CE2 PHE A 124 2.092 -12.545 -1.148 1.00 2.29 C ATOM 1863 CZ PHE A 124 1.070 -13.078 -0.346 1.00 1.97 C ATOM 0 H PHE A 124 -0.311 -11.031 -4.550 1.00 1.68 H new ATOM 0 HA PHE A 124 0.025 -13.198 -6.506 1.00 1.75 H new ATOM 0 HB2 PHE A 124 0.869 -14.717 -4.824 1.00 1.79 H new ATOM 0 HB3 PHE A 124 1.960 -13.362 -5.039 1.00 1.79 H new ATOM 0 HD1 PHE A 124 -0.786 -14.587 -2.768 1.00 2.40 H new ATOM 0 HD2 PHE A 124 2.818 -12.269 -3.160 1.00 2.25 H new ATOM 0 HE1 PHE A 124 -0.829 -14.100 -0.332 1.00 2.48 H new ATOM 0 HE2 PHE A 124 2.916 -12.017 -0.692 1.00 2.29 H new ATOM 0 HZ PHE A 124 1.113 -12.968 0.728 1.00 1.97 H new ATOM 1873 N ASP A 125 -1.878 -14.592 -5.268 1.00 2.02 N ATOM 1874 CA ASP A 125 -3.195 -15.098 -4.897 1.00 2.14 C ATOM 1875 C ASP A 125 -3.107 -15.831 -3.549 1.00 2.20 C ATOM 1876 O ASP A 125 -2.374 -16.821 -3.446 1.00 2.16 O ATOM 1877 CB ASP A 125 -3.706 -16.044 -5.980 1.00 2.18 C ATOM 1878 CG ASP A 125 -5.056 -16.590 -5.553 1.00 2.38 C ATOM 1879 OD1 ASP A 125 -6.003 -15.777 -5.539 1.00 2.40 O ATOM 1880 OD2 ASP A 125 -5.094 -17.785 -5.195 1.00 3.79 O ATOM 0 H ASP A 125 -1.278 -15.285 -5.716 1.00 2.02 H new ATOM 0 HA ASP A 125 -3.890 -14.264 -4.800 1.00 2.14 H new ATOM 0 HB2 ASP A 125 -3.795 -15.517 -6.930 1.00 2.18 H new ATOM 0 HB3 ASP A 125 -3.000 -16.860 -6.133 1.00 2.18 H new ATOM 1885 N PRO A 126 -3.775 -15.339 -2.492 1.00 2.30 N ATOM 1886 CA PRO A 126 -3.546 -15.782 -1.123 1.00 2.33 C ATOM 1887 C PRO A 126 -4.301 -17.072 -0.789 1.00 2.40 C ATOM 1888 O PRO A 126 -5.024 -17.149 0.203 1.00 2.42 O ATOM 1889 CB PRO A 126 -4.002 -14.607 -0.263 1.00 2.40 C ATOM 1890 CG PRO A 126 -5.164 -14.028 -1.068 1.00 2.49 C ATOM 1891 CD PRO A 126 -4.669 -14.189 -2.505 1.00 2.39 C ATOM 0 HA PRO A 126 -2.501 -16.037 -0.949 1.00 2.33 H new ATOM 0 HB2 PRO A 126 -4.319 -14.931 0.729 1.00 2.40 H new ATOM 0 HB3 PRO A 126 -3.205 -13.877 -0.121 1.00 2.40 H new ATOM 0 HG2 PRO A 126 -6.092 -14.572 -0.893 1.00 2.49 H new ATOM 0 HG3 PRO A 126 -5.354 -12.985 -0.817 1.00 2.49 H new ATOM 0 HD2 PRO A 126 -5.502 -14.349 -3.190 1.00 2.39 H new ATOM 0 HD3 PRO A 126 -4.148 -13.293 -2.841 1.00 2.39 H new ATOM 1899 N GLU A 127 -4.071 -18.099 -1.599 1.00 2.47 N ATOM 1900 CA GLU A 127 -4.547 -19.456 -1.396 1.00 2.53 C ATOM 1901 C GLU A 127 -3.467 -20.412 -1.885 1.00 2.44 C ATOM 1902 O GLU A 127 -3.061 -21.315 -1.158 1.00 2.41 O ATOM 1903 CB GLU A 127 -5.871 -19.714 -2.135 1.00 2.69 C ATOM 1904 CG GLU A 127 -7.062 -18.992 -1.486 1.00 2.38 C ATOM 1905 CD GLU A 127 -8.400 -19.564 -1.943 1.00 2.52 C ATOM 1906 OE1 GLU A 127 -8.542 -20.805 -1.873 1.00 3.16 O ATOM 1907 OE2 GLU A 127 -9.271 -18.755 -2.328 1.00 2.93 O ATOM 0 H GLU A 127 -3.522 -18.000 -2.453 1.00 2.47 H new ATOM 0 HA GLU A 127 -4.745 -19.612 -0.336 1.00 2.53 H new ATOM 0 HB2 GLU A 127 -5.774 -19.388 -3.171 1.00 2.69 H new ATOM 0 HB3 GLU A 127 -6.068 -20.786 -2.155 1.00 2.69 H new ATOM 0 HG2 GLU A 127 -6.986 -19.072 -0.402 1.00 2.38 H new ATOM 0 HG3 GLU A 127 -7.019 -17.931 -1.732 1.00 2.38 H new ATOM 1914 N ILE A 128 -2.984 -20.210 -3.117 1.00 2.41 N ATOM 1915 CA ILE A 128 -2.005 -21.103 -3.700 1.00 2.31 C ATOM 1916 C ILE A 128 -0.619 -20.836 -3.134 1.00 2.16 C ATOM 1917 O ILE A 128 0.197 -21.749 -3.044 1.00 2.13 O ATOM 1918 CB ILE A 128 -2.002 -21.001 -5.233 1.00 2.30 C ATOM 1919 CG1 ILE A 128 -2.250 -19.570 -5.728 1.00 2.28 C ATOM 1920 CG2 ILE A 128 -3.043 -21.975 -5.804 1.00 2.51 C ATOM 1921 CD1 ILE A 128 -1.816 -19.394 -7.176 1.00 2.44 C ATOM 0 H ILE A 128 -3.261 -19.435 -3.719 1.00 2.41 H new ATOM 0 HA ILE A 128 -2.286 -22.122 -3.435 1.00 2.31 H new ATOM 0 HB ILE A 128 -1.009 -21.275 -5.591 1.00 2.30 H new ATOM 0 HG12 ILE A 128 -3.309 -19.330 -5.634 1.00 2.28 H new ATOM 0 HG13 ILE A 128 -1.707 -18.867 -5.097 1.00 2.28 H new ATOM 0 HG21 ILE A 128 -3.046 -21.908 -6.892 1.00 2.51 H new ATOM 0 HG22 ILE A 128 -2.792 -22.992 -5.504 1.00 2.51 H new ATOM 0 HG23 ILE A 128 -4.031 -21.717 -5.422 1.00 2.51 H new ATOM 0 HD11 ILE A 128 -2.007 -18.368 -7.491 1.00 2.44 H new ATOM 0 HD12 ILE A 128 -0.751 -19.609 -7.265 1.00 2.44 H new ATOM 0 HD13 ILE A 128 -2.379 -20.079 -7.810 1.00 2.44 H new ATOM 1933 N ILE A 129 -0.347 -19.578 -2.787 1.00 2.09 N ATOM 1934 CA ILE A 129 0.941 -19.160 -2.273 1.00 2.01 C ATOM 1935 C ILE A 129 0.722 -18.194 -1.108 1.00 2.04 C ATOM 1936 O ILE A 129 -0.382 -17.685 -0.921 1.00 2.10 O ATOM 1937 CB ILE A 129 1.790 -18.614 -3.443 1.00 1.95 C ATOM 1938 CG1 ILE A 129 3.060 -19.449 -3.675 1.00 1.96 C ATOM 1939 CG2 ILE A 129 2.057 -17.106 -3.380 1.00 1.90 C ATOM 1940 CD1 ILE A 129 4.125 -19.330 -2.580 1.00 1.77 C ATOM 0 H ILE A 129 -1.026 -18.820 -2.858 1.00 2.09 H new ATOM 0 HA ILE A 129 1.515 -19.988 -1.857 1.00 2.01 H new ATOM 0 HB ILE A 129 1.171 -18.734 -4.332 1.00 1.95 H new ATOM 0 HG12 ILE A 129 2.775 -20.497 -3.771 1.00 1.96 H new ATOM 0 HG13 ILE A 129 3.503 -19.151 -4.625 1.00 1.96 H new ATOM 0 HG21 ILE A 129 2.659 -16.807 -4.238 1.00 1.90 H new ATOM 0 HG22 ILE A 129 1.109 -16.568 -3.396 1.00 1.90 H new ATOM 0 HG23 ILE A 129 2.593 -16.869 -2.461 1.00 1.90 H new ATOM 0 HD11 ILE A 129 4.981 -19.955 -2.835 1.00 1.77 H new ATOM 0 HD12 ILE A 129 4.446 -18.292 -2.496 1.00 1.77 H new ATOM 0 HD13 ILE A 129 3.707 -19.658 -1.628 1.00 1.77 H new ATOM 1952 N GLY A 130 1.762 -17.970 -0.302 1.00 2.00 N ATOM 1953 CA GLY A 130 1.685 -17.141 0.887 1.00 2.05 C ATOM 1954 C GLY A 130 3.062 -16.575 1.227 1.00 1.89 C ATOM 1955 O GLY A 130 4.075 -17.066 0.725 1.00 1.79 O ATOM 0 H GLY A 130 2.688 -18.366 -0.464 1.00 2.00 H new ATOM 0 HA2 GLY A 130 0.979 -16.326 0.726 1.00 2.05 H new ATOM 0 HA3 GLY A 130 1.308 -17.728 1.725 1.00 2.05 H new ATOM 1959 N PRO A 131 3.107 -15.553 2.095 1.00 1.90 N ATOM 1960 CA PRO A 131 4.295 -14.750 2.330 1.00 1.81 C ATOM 1961 C PRO A 131 5.447 -15.588 2.873 1.00 1.82 C ATOM 1962 O PRO A 131 6.592 -15.377 2.494 1.00 1.72 O ATOM 1963 CB PRO A 131 3.866 -13.648 3.304 1.00 1.88 C ATOM 1964 CG PRO A 131 2.646 -14.238 4.012 1.00 2.04 C ATOM 1965 CD PRO A 131 2.005 -15.104 2.927 1.00 2.02 C ATOM 0 HA PRO A 131 4.677 -14.322 1.403 1.00 1.81 H new ATOM 0 HB2 PRO A 131 4.660 -13.408 4.010 1.00 1.88 H new ATOM 0 HB3 PRO A 131 3.616 -12.726 2.779 1.00 1.88 H new ATOM 0 HG2 PRO A 131 2.931 -14.828 4.883 1.00 2.04 H new ATOM 0 HG3 PRO A 131 1.967 -13.460 4.362 1.00 2.04 H new ATOM 0 HD2 PRO A 131 1.471 -15.949 3.362 1.00 2.02 H new ATOM 0 HD3 PRO A 131 1.280 -14.534 2.346 1.00 2.02 H new ATOM 1973 N ARG A 132 5.162 -16.552 3.753 1.00 1.93 N ATOM 1974 CA ARG A 132 6.207 -17.346 4.373 1.00 1.89 C ATOM 1975 C ARG A 132 7.112 -18.039 3.360 1.00 1.78 C ATOM 1976 O ARG A 132 8.281 -18.260 3.661 1.00 1.72 O ATOM 1977 CB ARG A 132 5.663 -18.342 5.401 1.00 1.94 C ATOM 1978 CG ARG A 132 4.884 -19.528 4.820 1.00 3.22 C ATOM 1979 CD ARG A 132 3.458 -19.152 4.385 1.00 4.58 C ATOM 1980 NE ARG A 132 2.484 -20.219 4.679 1.00 5.58 N ATOM 1981 CZ ARG A 132 1.818 -20.354 5.840 1.00 5.84 C ATOM 1982 NH1 ARG A 132 2.136 -19.577 6.883 1.00 5.32 N ATOM 1983 NH2 ARG A 132 0.841 -21.259 5.956 1.00 7.14 N ATOM 0 H ARG A 132 4.216 -16.795 4.047 1.00 1.93 H new ATOM 0 HA ARG A 132 6.826 -16.629 4.913 1.00 1.89 H new ATOM 0 HB2 ARG A 132 6.499 -18.729 5.984 1.00 1.94 H new ATOM 0 HB3 ARG A 132 5.013 -17.806 6.092 1.00 1.94 H new ATOM 0 HG2 ARG A 132 5.426 -19.928 3.963 1.00 3.22 H new ATOM 0 HG3 ARG A 132 4.834 -20.323 5.564 1.00 3.22 H new ATOM 0 HD2 ARG A 132 3.155 -18.236 4.893 1.00 4.58 H new ATOM 0 HD3 ARG A 132 3.450 -18.941 3.316 1.00 4.58 H new ATOM 0 HE ARG A 132 2.302 -20.906 3.948 1.00 5.58 H new ATOM 0 HH11 ARG A 132 2.881 -18.886 6.796 1.00 5.32 H new ATOM 0 HH12 ARG A 132 1.633 -19.676 7.765 1.00 5.32 H new ATOM 0 HH21 ARG A 132 0.597 -21.851 5.162 1.00 7.14 H new ATOM 0 HH22 ARG A 132 0.339 -21.357 6.839 1.00 7.14 H new ATOM 1997 N ASP A 133 6.591 -18.424 2.189 1.00 1.77 N ATOM 1998 CA ASP A 133 7.462 -19.067 1.221 1.00 1.63 C ATOM 1999 C ASP A 133 8.408 -18.042 0.599 1.00 1.48 C ATOM 2000 O ASP A 133 9.599 -18.300 0.460 1.00 1.39 O ATOM 2001 CB ASP A 133 6.679 -19.880 0.192 1.00 1.80 C ATOM 2002 CG ASP A 133 7.591 -20.961 -0.376 1.00 2.36 C ATOM 2003 OD1 ASP A 133 8.065 -21.789 0.442 1.00 2.91 O ATOM 2004 OD2 ASP A 133 7.804 -20.941 -1.605 1.00 3.31 O ATOM 0 H ASP A 133 5.618 -18.306 1.905 1.00 1.77 H new ATOM 0 HA ASP A 133 8.081 -19.798 1.742 1.00 1.63 H new ATOM 0 HB2 ASP A 133 5.802 -20.331 0.656 1.00 1.80 H new ATOM 0 HB3 ASP A 133 6.319 -19.232 -0.607 1.00 1.80 H new ATOM 2009 N ILE A 134 7.890 -16.843 0.299 1.00 1.46 N ATOM 2010 CA ILE A 134 8.707 -15.717 -0.131 1.00 1.25 C ATOM 2011 C ILE A 134 9.789 -15.468 0.926 1.00 1.18 C ATOM 2012 O ILE A 134 10.963 -15.346 0.579 1.00 1.00 O ATOM 2013 CB ILE A 134 7.840 -14.464 -0.390 1.00 1.25 C ATOM 2014 CG1 ILE A 134 6.772 -14.740 -1.471 1.00 1.37 C ATOM 2015 CG2 ILE A 134 8.749 -13.297 -0.794 1.00 1.07 C ATOM 2016 CD1 ILE A 134 5.799 -13.571 -1.685 1.00 1.17 C ATOM 0 H ILE A 134 6.893 -16.634 0.350 1.00 1.46 H new ATOM 0 HA ILE A 134 9.190 -15.949 -1.080 1.00 1.25 H new ATOM 0 HB ILE A 134 7.309 -14.201 0.525 1.00 1.25 H new ATOM 0 HG12 ILE A 134 7.271 -14.964 -2.414 1.00 1.37 H new ATOM 0 HG13 ILE A 134 6.205 -15.628 -1.191 1.00 1.37 H new ATOM 0 HG21 ILE A 134 8.143 -12.410 -0.978 1.00 1.07 H new ATOM 0 HG22 ILE A 134 9.457 -13.092 0.009 1.00 1.07 H new ATOM 0 HG23 ILE A 134 9.295 -13.558 -1.701 1.00 1.07 H new ATOM 0 HD11 ILE A 134 5.077 -13.835 -2.458 1.00 1.17 H new ATOM 0 HD12 ILE A 134 5.273 -13.360 -0.754 1.00 1.17 H new ATOM 0 HD13 ILE A 134 6.355 -12.687 -1.995 1.00 1.17 H new ATOM 2028 N ILE A 135 9.392 -15.417 2.205 1.00 1.37 N ATOM 2029 CA ILE A 135 10.321 -15.311 3.324 1.00 1.42 C ATOM 2030 C ILE A 135 11.387 -16.398 3.184 1.00 1.36 C ATOM 2031 O ILE A 135 12.549 -16.059 3.003 1.00 1.23 O ATOM 2032 CB ILE A 135 9.598 -15.310 4.685 1.00 1.77 C ATOM 2033 CG1 ILE A 135 8.796 -14.001 4.822 1.00 1.60 C ATOM 2034 CG2 ILE A 135 10.589 -15.453 5.848 1.00 2.26 C ATOM 2035 CD1 ILE A 135 7.922 -13.932 6.079 1.00 1.82 C ATOM 0 H ILE A 135 8.412 -15.449 2.487 1.00 1.37 H new ATOM 0 HA ILE A 135 10.825 -14.345 3.294 1.00 1.42 H new ATOM 0 HB ILE A 135 8.924 -16.166 4.726 1.00 1.77 H new ATOM 0 HG12 ILE A 135 9.490 -13.161 4.829 1.00 1.60 H new ATOM 0 HG13 ILE A 135 8.161 -13.883 3.944 1.00 1.60 H new ATOM 0 HG21 ILE A 135 10.045 -15.448 6.792 1.00 2.26 H new ATOM 0 HG22 ILE A 135 11.134 -16.391 5.748 1.00 2.26 H new ATOM 0 HG23 ILE A 135 11.293 -14.621 5.831 1.00 2.26 H new ATOM 0 HD11 ILE A 135 7.391 -12.980 6.101 1.00 1.82 H new ATOM 0 HD12 ILE A 135 7.201 -14.750 6.066 1.00 1.82 H new ATOM 0 HD13 ILE A 135 8.551 -14.017 6.965 1.00 1.82 H new ATOM 2047 N LYS A 136 11.013 -17.681 3.191 1.00 1.48 N ATOM 2048 CA LYS A 136 11.965 -18.762 3.032 1.00 1.49 C ATOM 2049 C LYS A 136 12.945 -18.538 1.869 1.00 1.23 C ATOM 2050 O LYS A 136 14.158 -18.642 2.044 1.00 1.15 O ATOM 2051 CB LYS A 136 11.175 -20.058 2.866 1.00 1.76 C ATOM 2052 CG LYS A 136 11.925 -21.178 3.571 1.00 2.00 C ATOM 2053 CD LYS A 136 11.383 -22.530 3.105 1.00 2.15 C ATOM 2054 CE LYS A 136 9.928 -22.776 3.545 1.00 3.33 C ATOM 2055 NZ LYS A 136 9.046 -23.162 2.419 1.00 4.36 N ATOM 0 H LYS A 136 10.047 -17.988 3.307 1.00 1.48 H new ATOM 0 HA LYS A 136 12.596 -18.812 3.920 1.00 1.49 H new ATOM 0 HB2 LYS A 136 10.176 -19.948 3.287 1.00 1.76 H new ATOM 0 HB3 LYS A 136 11.051 -20.293 1.809 1.00 1.76 H new ATOM 0 HG2 LYS A 136 12.991 -21.108 3.355 1.00 2.00 H new ATOM 0 HG3 LYS A 136 11.812 -21.082 4.651 1.00 2.00 H new ATOM 0 HD2 LYS A 136 11.443 -22.585 2.018 1.00 2.15 H new ATOM 0 HD3 LYS A 136 12.016 -23.325 3.499 1.00 2.15 H new ATOM 0 HE2 LYS A 136 9.909 -23.561 4.301 1.00 3.33 H new ATOM 0 HE3 LYS A 136 9.537 -21.873 4.014 1.00 3.33 H new ATOM 0 HZ1 LYS A 136 8.166 -23.573 2.792 1.00 4.36 H new ATOM 0 HZ2 LYS A 136 8.821 -22.321 1.850 1.00 4.36 H new ATOM 0 HZ3 LYS A 136 9.530 -23.863 1.823 1.00 4.36 H new ATOM 2069 N ILE A 137 12.428 -18.209 0.682 1.00 1.15 N ATOM 2070 CA ILE A 137 13.271 -17.915 -0.469 1.00 0.98 C ATOM 2071 C ILE A 137 14.289 -16.825 -0.105 1.00 0.78 C ATOM 2072 O ILE A 137 15.490 -17.025 -0.280 1.00 0.77 O ATOM 2073 CB ILE A 137 12.410 -17.556 -1.698 1.00 1.03 C ATOM 2074 CG1 ILE A 137 11.564 -18.745 -2.200 1.00 1.30 C ATOM 2075 CG2 ILE A 137 13.259 -16.996 -2.848 1.00 1.04 C ATOM 2076 CD1 ILE A 137 12.359 -19.885 -2.847 1.00 2.13 C ATOM 0 H ILE A 137 11.427 -18.141 0.498 1.00 1.15 H new ATOM 0 HA ILE A 137 13.839 -18.803 -0.746 1.00 0.98 H new ATOM 0 HB ILE A 137 11.725 -16.779 -1.360 1.00 1.03 H new ATOM 0 HG12 ILE A 137 10.999 -19.149 -1.360 1.00 1.30 H new ATOM 0 HG13 ILE A 137 10.838 -18.374 -2.923 1.00 1.30 H new ATOM 0 HG21 ILE A 137 12.614 -16.756 -3.693 1.00 1.04 H new ATOM 0 HG22 ILE A 137 13.772 -16.093 -2.516 1.00 1.04 H new ATOM 0 HG23 ILE A 137 13.995 -17.740 -3.153 1.00 1.04 H new ATOM 0 HD11 ILE A 137 11.674 -20.671 -3.166 1.00 2.13 H new ATOM 0 HD12 ILE A 137 12.903 -19.504 -3.712 1.00 2.13 H new ATOM 0 HD13 ILE A 137 13.066 -20.291 -2.124 1.00 2.13 H new ATOM 2088 N ILE A 138 13.845 -15.676 0.414 1.00 0.75 N ATOM 2089 CA ILE A 138 14.791 -14.607 0.726 1.00 0.73 C ATOM 2090 C ILE A 138 15.730 -14.949 1.890 1.00 0.85 C ATOM 2091 O ILE A 138 16.873 -14.492 1.885 1.00 0.89 O ATOM 2092 CB ILE A 138 14.133 -13.221 0.819 1.00 0.80 C ATOM 2093 CG1 ILE A 138 13.073 -13.037 1.908 1.00 1.00 C ATOM 2094 CG2 ILE A 138 13.508 -12.856 -0.537 1.00 0.73 C ATOM 2095 CD1 ILE A 138 13.622 -12.768 3.308 1.00 1.54 C ATOM 0 H ILE A 138 12.868 -15.468 0.621 1.00 0.75 H new ATOM 0 HA ILE A 138 15.452 -14.532 -0.138 1.00 0.73 H new ATOM 0 HB ILE A 138 14.951 -12.558 1.101 1.00 0.80 H new ATOM 0 HG12 ILE A 138 12.423 -12.209 1.624 1.00 1.00 H new ATOM 0 HG13 ILE A 138 12.452 -13.932 1.944 1.00 1.00 H new ATOM 0 HG21 ILE A 138 13.042 -11.873 -0.470 1.00 0.73 H new ATOM 0 HG22 ILE A 138 14.284 -12.838 -1.302 1.00 0.73 H new ATOM 0 HG23 ILE A 138 12.754 -13.598 -0.802 1.00 0.73 H new ATOM 0 HD11 ILE A 138 12.794 -12.652 4.007 1.00 1.54 H new ATOM 0 HD12 ILE A 138 14.247 -13.605 3.621 1.00 1.54 H new ATOM 0 HD13 ILE A 138 14.217 -11.855 3.296 1.00 1.54 H new ATOM 2107 N GLU A 139 15.305 -15.779 2.847 1.00 0.99 N ATOM 2108 CA GLU A 139 16.202 -16.334 3.859 1.00 1.13 C ATOM 2109 C GLU A 139 17.349 -17.079 3.173 1.00 1.01 C ATOM 2110 O GLU A 139 18.501 -16.937 3.574 1.00 1.01 O ATOM 2111 CB GLU A 139 15.472 -17.281 4.827 1.00 1.37 C ATOM 2112 CG GLU A 139 14.427 -16.598 5.719 1.00 1.61 C ATOM 2113 CD GLU A 139 13.844 -17.586 6.724 1.00 2.37 C ATOM 2114 OE1 GLU A 139 12.863 -18.268 6.356 1.00 4.00 O ATOM 2115 OE2 GLU A 139 14.396 -17.646 7.842 1.00 2.21 O ATOM 0 H GLU A 139 14.336 -16.082 2.940 1.00 0.99 H new ATOM 0 HA GLU A 139 16.591 -15.503 4.447 1.00 1.13 H new ATOM 0 HB2 GLU A 139 14.981 -18.064 4.248 1.00 1.37 H new ATOM 0 HB3 GLU A 139 16.210 -17.770 5.463 1.00 1.37 H new ATOM 0 HG2 GLU A 139 14.884 -15.762 6.248 1.00 1.61 H new ATOM 0 HG3 GLU A 139 13.628 -16.186 5.102 1.00 1.61 H new ATOM 2122 N GLU A 140 17.037 -17.843 2.121 1.00 0.97 N ATOM 2123 CA GLU A 140 18.016 -18.620 1.377 1.00 0.99 C ATOM 2124 C GLU A 140 19.052 -17.673 0.761 1.00 0.92 C ATOM 2125 O GLU A 140 20.248 -17.956 0.744 1.00 1.00 O ATOM 2126 CB GLU A 140 17.294 -19.451 0.299 1.00 1.09 C ATOM 2127 CG GLU A 140 17.901 -20.848 0.134 1.00 1.52 C ATOM 2128 CD GLU A 140 17.448 -21.797 1.239 1.00 2.33 C ATOM 2129 OE1 GLU A 140 16.270 -22.210 1.176 1.00 2.83 O ATOM 2130 OE2 GLU A 140 18.287 -22.097 2.114 1.00 3.76 O ATOM 0 H GLU A 140 16.086 -17.936 1.764 1.00 0.97 H new ATOM 0 HA GLU A 140 18.540 -19.309 2.040 1.00 0.99 H new ATOM 0 HB2 GLU A 140 16.240 -19.544 0.562 1.00 1.09 H new ATOM 0 HB3 GLU A 140 17.340 -18.923 -0.654 1.00 1.09 H new ATOM 0 HG2 GLU A 140 17.615 -21.256 -0.835 1.00 1.52 H new ATOM 0 HG3 GLU A 140 18.989 -20.775 0.141 1.00 1.52 H new ATOM 2137 N ILE A 141 18.581 -16.529 0.252 1.00 0.86 N ATOM 2138 CA ILE A 141 19.446 -15.491 -0.294 1.00 0.89 C ATOM 2139 C ILE A 141 20.255 -14.831 0.831 1.00 0.93 C ATOM 2140 O ILE A 141 21.413 -14.467 0.633 1.00 1.05 O ATOM 2141 CB ILE A 141 18.604 -14.448 -1.054 1.00 0.88 C ATOM 2142 CG1 ILE A 141 17.718 -15.096 -2.130 1.00 0.84 C ATOM 2143 CG2 ILE A 141 19.517 -13.417 -1.723 1.00 1.08 C ATOM 2144 CD1 ILE A 141 16.773 -14.078 -2.776 1.00 1.03 C ATOM 0 H ILE A 141 17.588 -16.302 0.210 1.00 0.86 H new ATOM 0 HA ILE A 141 20.147 -15.942 -0.996 1.00 0.89 H new ATOM 0 HB ILE A 141 17.959 -13.964 -0.321 1.00 0.88 H new ATOM 0 HG12 ILE A 141 18.348 -15.546 -2.898 1.00 0.84 H new ATOM 0 HG13 ILE A 141 17.135 -15.902 -1.684 1.00 0.84 H new ATOM 0 HG21 ILE A 141 18.910 -12.686 -2.257 1.00 1.08 H new ATOM 0 HG22 ILE A 141 20.111 -12.910 -0.963 1.00 1.08 H new ATOM 0 HG23 ILE A 141 20.180 -13.920 -2.426 1.00 1.08 H new ATOM 0 HD11 ILE A 141 16.164 -14.575 -3.531 1.00 1.03 H new ATOM 0 HD12 ILE A 141 16.125 -13.648 -2.013 1.00 1.03 H new ATOM 0 HD13 ILE A 141 17.357 -13.286 -3.245 1.00 1.03 H new ATOM 2156 N GLY A 142 19.621 -14.625 1.985 1.00 0.92 N ATOM 2157 CA GLY A 142 20.153 -13.864 3.104 1.00 0.99 C ATOM 2158 C GLY A 142 19.663 -12.416 3.057 1.00 0.99 C ATOM 2159 O GLY A 142 20.382 -11.506 3.465 1.00 1.07 O ATOM 0 H GLY A 142 18.690 -14.999 2.168 1.00 0.92 H new ATOM 0 HA2 GLY A 142 19.847 -14.326 4.042 1.00 0.99 H new ATOM 0 HA3 GLY A 142 21.243 -13.885 3.079 1.00 0.99 H new ATOM 2163 N PHE A 143 18.435 -12.199 2.571 1.00 0.93 N ATOM 2164 CA PHE A 143 17.733 -10.928 2.704 1.00 0.98 C ATOM 2165 C PHE A 143 16.752 -11.053 3.866 1.00 0.98 C ATOM 2166 O PHE A 143 16.597 -12.133 4.433 1.00 0.98 O ATOM 2167 CB PHE A 143 17.020 -10.585 1.387 1.00 1.05 C ATOM 2168 CG PHE A 143 17.818 -9.684 0.473 1.00 1.24 C ATOM 2169 CD1 PHE A 143 19.087 -10.092 0.025 1.00 1.54 C ATOM 2170 CD2 PHE A 143 17.302 -8.436 0.077 1.00 2.80 C ATOM 2171 CE1 PHE A 143 19.844 -9.254 -0.809 1.00 1.78 C ATOM 2172 CE2 PHE A 143 18.054 -7.604 -0.769 1.00 3.37 C ATOM 2173 CZ PHE A 143 19.330 -8.008 -1.200 1.00 2.44 C ATOM 0 H PHE A 143 17.901 -12.910 2.071 1.00 0.93 H new ATOM 0 HA PHE A 143 18.429 -10.115 2.912 1.00 0.98 H new ATOM 0 HB2 PHE A 143 16.790 -11.510 0.858 1.00 1.05 H new ATOM 0 HB3 PHE A 143 16.069 -10.104 1.615 1.00 1.05 H new ATOM 0 HD1 PHE A 143 19.480 -11.053 0.323 1.00 1.54 H new ATOM 0 HD2 PHE A 143 16.329 -8.118 0.423 1.00 2.80 H new ATOM 0 HE1 PHE A 143 20.820 -9.568 -1.149 1.00 1.78 H new ATOM 0 HE2 PHE A 143 17.652 -6.654 -1.088 1.00 3.37 H new ATOM 0 HZ PHE A 143 19.916 -7.358 -1.833 1.00 2.44 H new ATOM 2183 N HIS A 144 16.079 -9.954 4.218 1.00 1.05 N ATOM 2184 CA HIS A 144 15.128 -9.930 5.320 1.00 1.07 C ATOM 2185 C HIS A 144 13.901 -9.178 4.832 1.00 1.17 C ATOM 2186 O HIS A 144 14.048 -8.034 4.408 1.00 1.26 O ATOM 2187 CB HIS A 144 15.741 -9.223 6.533 1.00 1.11 C ATOM 2188 CG HIS A 144 17.138 -9.686 6.853 1.00 1.35 C ATOM 2189 ND1 HIS A 144 18.289 -9.233 6.248 1.00 2.92 N ATOM 2190 CD2 HIS A 144 17.483 -10.693 7.713 1.00 2.17 C ATOM 2191 CE1 HIS A 144 19.311 -9.948 6.750 1.00 3.89 C ATOM 2192 NE2 HIS A 144 18.871 -10.842 7.653 1.00 3.41 N ATOM 0 H HIS A 144 16.182 -9.057 3.743 1.00 1.05 H new ATOM 0 HA HIS A 144 14.863 -10.941 5.628 1.00 1.07 H new ATOM 0 HB2 HIS A 144 15.756 -8.149 6.349 1.00 1.11 H new ATOM 0 HB3 HIS A 144 15.103 -9.389 7.401 1.00 1.11 H new ATOM 0 HD1 HIS A 144 18.354 -8.493 5.549 1.00 2.92 H new ATOM 0 HD2 HIS A 144 16.805 -11.268 8.327 1.00 2.17 H new ATOM 0 HE1 HIS A 144 20.345 -9.821 6.466 1.00 3.89 H new ATOM 2200 N ALA A 145 12.731 -9.824 4.862 1.00 1.21 N ATOM 2201 CA ALA A 145 11.464 -9.257 4.433 1.00 1.34 C ATOM 2202 C ALA A 145 10.591 -8.977 5.652 1.00 1.40 C ATOM 2203 O ALA A 145 9.968 -9.891 6.188 1.00 1.50 O ATOM 2204 CB ALA A 145 10.754 -10.224 3.488 1.00 1.44 C ATOM 0 H ALA A 145 12.645 -10.784 5.197 1.00 1.21 H new ATOM 0 HA ALA A 145 11.648 -8.322 3.904 1.00 1.34 H new ATOM 0 HB1 ALA A 145 9.805 -9.792 3.171 1.00 1.44 H new ATOM 0 HB2 ALA A 145 11.380 -10.405 2.614 1.00 1.44 H new ATOM 0 HB3 ALA A 145 10.569 -11.167 4.003 1.00 1.44 H new ATOM 2210 N SER A 146 10.534 -7.717 6.082 1.00 1.40 N ATOM 2211 CA SER A 146 9.660 -7.279 7.158 1.00 1.47 C ATOM 2212 C SER A 146 8.417 -6.641 6.540 1.00 1.79 C ATOM 2213 O SER A 146 8.504 -5.520 6.052 1.00 1.96 O ATOM 2214 CB SER A 146 10.416 -6.281 8.041 1.00 1.50 C ATOM 2215 OG SER A 146 11.555 -6.914 8.592 1.00 1.69 O ATOM 0 H SER A 146 11.101 -6.967 5.686 1.00 1.40 H new ATOM 0 HA SER A 146 9.352 -8.119 7.780 1.00 1.47 H new ATOM 0 HB2 SER A 146 10.716 -5.413 7.454 1.00 1.50 H new ATOM 0 HB3 SER A 146 9.767 -5.918 8.837 1.00 1.50 H new ATOM 0 HG SER A 146 12.042 -6.278 9.156 1.00 1.69 H new ATOM 2221 N LEU A 147 7.284 -7.350 6.544 1.00 2.09 N ATOM 2222 CA LEU A 147 5.973 -6.846 6.154 1.00 2.53 C ATOM 2223 C LEU A 147 5.746 -5.521 6.849 1.00 2.62 C ATOM 2224 O LEU A 147 5.552 -5.495 8.064 1.00 3.09 O ATOM 2225 CB LEU A 147 4.873 -7.828 6.571 1.00 3.33 C ATOM 2226 CG LEU A 147 4.819 -9.042 5.635 1.00 4.99 C ATOM 2227 CD1 LEU A 147 4.684 -10.313 6.470 1.00 6.18 C ATOM 2228 CD2 LEU A 147 3.630 -8.950 4.674 1.00 5.85 C ATOM 0 H LEU A 147 7.259 -8.328 6.831 1.00 2.09 H new ATOM 0 HA LEU A 147 5.939 -6.726 5.071 1.00 2.53 H new ATOM 0 HB2 LEU A 147 5.051 -8.163 7.593 1.00 3.33 H new ATOM 0 HB3 LEU A 147 3.909 -7.320 6.565 1.00 3.33 H new ATOM 0 HG LEU A 147 5.738 -9.063 5.049 1.00 4.99 H new ATOM 0 HD11 LEU A 147 4.645 -11.180 5.810 1.00 6.18 H new ATOM 0 HD12 LEU A 147 5.541 -10.403 7.137 1.00 6.18 H new ATOM 0 HD13 LEU A 147 3.769 -10.265 7.060 1.00 6.18 H new ATOM 0 HD21 LEU A 147 3.619 -9.825 4.024 1.00 5.85 H new ATOM 0 HD22 LEU A 147 2.703 -8.911 5.245 1.00 5.85 H new ATOM 0 HD23 LEU A 147 3.721 -8.049 4.068 1.00 5.85 H new ATOM 2240 N ALA A 148 5.800 -4.432 6.090 1.00 2.40 N ATOM 2241 CA ALA A 148 5.505 -3.130 6.659 1.00 2.96 C ATOM 2242 C ALA A 148 3.985 -2.919 6.637 1.00 3.74 C ATOM 2243 O ALA A 148 3.443 -2.368 7.596 1.00 4.47 O ATOM 2244 CB ALA A 148 6.377 -2.072 5.986 1.00 3.13 C ATOM 0 H ALA A 148 6.041 -4.427 5.099 1.00 2.40 H new ATOM 0 HA ALA A 148 5.774 -3.047 7.712 1.00 2.96 H new ATOM 0 HB1 ALA A 148 6.156 -1.094 6.413 1.00 3.13 H new ATOM 0 HB2 ALA A 148 7.428 -2.310 6.148 1.00 3.13 H new ATOM 0 HB3 ALA A 148 6.170 -2.056 4.916 1.00 3.13 H new ATOM 2250 N GLN A 149 3.322 -3.507 5.631 1.00 4.31 N ATOM 2251 CA GLN A 149 1.883 -3.723 5.520 1.00 5.75 C ATOM 2252 C GLN A 149 1.121 -2.447 5.141 1.00 6.82 C ATOM 2253 O GLN A 149 0.413 -2.493 4.112 1.00 8.13 O ATOM 2254 CB GLN A 149 1.330 -4.337 6.814 1.00 5.88 C ATOM 2255 CG GLN A 149 -0.058 -4.971 6.612 1.00 7.16 C ATOM 2256 CD GLN A 149 -0.021 -6.482 6.382 1.00 7.94 C ATOM 2257 OE1 GLN A 149 1.035 -7.096 6.266 1.00 8.19 O ATOM 2258 NE2 GLN A 149 -1.192 -7.114 6.388 1.00 8.84 N ATOM 2259 OXT GLN A 149 1.182 -1.477 5.924 1.00 6.72 O ATOM 0 H GLN A 149 3.819 -3.868 4.817 1.00 4.31 H new ATOM 0 HA GLN A 149 1.726 -4.428 4.704 1.00 5.75 H new ATOM 0 HB2 GLN A 149 2.023 -5.094 7.180 1.00 5.88 H new ATOM 0 HB3 GLN A 149 1.267 -3.566 7.582 1.00 5.88 H new ATOM 0 HG2 GLN A 149 -0.673 -4.761 7.487 1.00 7.16 H new ATOM 0 HG3 GLN A 149 -0.543 -4.495 5.760 1.00 7.16 H new ATOM 0 HE21 GLN A 149 -2.058 -6.583 6.486 1.00 8.84 H new ATOM 0 HE22 GLN A 149 -1.224 -8.129 6.295 1.00 8.84 H new TER 2268 GLN A 149