USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 602 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 32 TYR OH : rot 39:sc= 1.62 USER MOD Set 1.2: A 48 ASN : amide:sc= -0.425 K(o=1.2,f=-4.3!) USER MOD Set 2.1: A 8 GLN : amide:sc= 2.14 K(o=3.2,f=-7.6!) USER MOD Set 2.2: A 42 LYS NZ :NH3+ 179:sc= 1.02 (180deg=-0.039) USER MOD Single : A 1 ASN : amide:sc= 0.471 K(o=0.47,f=-6.5!) USER MOD Single : A 1 ASN N :NH3+ 162:sc= 1.15 (180deg=0.851) USER MOD Single : A 2 SER OG : rot -25:sc= 0.397 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot 91:sc= 0.904 USER MOD Single : A 6 TYR OH : rot -162:sc= 1.25 USER MOD Single : A 10 THR OG1 : rot 76:sc= 1.06 USER MOD Single : A 12 MET CE :methyl 167:sc= -0.0457 (180deg=-0.302) USER MOD Single : A 13 THR OG1 : rot 40:sc= 0.619 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -1.46 K(o=-1.5,f=-0.27) USER MOD Single : A 24 ASN : amide:sc= 0.68 K(o=0.68,f=-4.9!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 163:sc=-0.000857 USER MOD Single : A 53 GLN : amide:sc= 0.948 K(o=0.95,f=-0.14) USER MOD Single : A 56 MET CE :methyl 169:sc= 0 (180deg=-0.116) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.0598 X(o=-0.06,f=-0.06) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 1.031 17.632 -5.120 1.00 6.63 N ATOM 2 CA ASN A 1 -0.158 17.181 -5.873 1.00 5.03 C ATOM 3 C ASN A 1 -0.072 15.668 -5.986 1.00 3.69 C ATOM 4 O ASN A 1 1.045 15.157 -6.031 1.00 4.28 O ATOM 5 CB ASN A 1 -0.234 17.821 -7.271 1.00 4.84 C ATOM 6 CG ASN A 1 -0.200 19.346 -7.209 1.00 6.04 C ATOM 7 OD1 ASN A 1 0.283 19.900 -6.224 1.00 7.13 O ATOM 8 ND2 ASN A 1 -0.684 20.029 -8.239 1.00 6.32 N ATOM 0 H1 ASN A 1 1.176 18.650 -5.277 1.00 6.63 H new ATOM 0 H2 ASN A 1 0.887 17.456 -4.105 1.00 6.63 H new ATOM 0 H3 ASN A 1 1.868 17.108 -5.447 1.00 6.63 H new ATOM 0 HA ASN A 1 -1.062 17.487 -5.346 1.00 5.03 H new ATOM 0 HB2 ASN A 1 0.599 17.465 -7.878 1.00 4.84 H new ATOM 0 HB3 ASN A 1 -1.150 17.499 -7.767 1.00 4.84 H new ATOM 0 HD21 ASN A 1 -0.663 21.049 -8.230 1.00 6.32 H new ATOM 0 HD22 ASN A 1 -1.077 19.534 -9.040 1.00 6.32 H new ATOM 17 N SER A 2 -1.200 14.954 -5.967 1.00 2.70 N ATOM 18 CA SER A 2 -1.214 13.499 -5.943 1.00 1.56 C ATOM 19 C SER A 2 -2.603 13.004 -6.343 1.00 1.36 C ATOM 20 O SER A 2 -3.584 13.711 -6.126 1.00 1.97 O ATOM 21 CB SER A 2 -0.902 12.996 -4.526 1.00 1.98 C ATOM 22 OG SER A 2 0.263 13.591 -3.989 1.00 2.83 O ATOM 0 H SER A 2 -2.129 15.375 -5.968 1.00 2.70 H new ATOM 0 HA SER A 2 -0.463 13.123 -6.638 1.00 1.56 H new ATOM 0 HB2 SER A 2 -1.749 13.207 -3.873 1.00 1.98 H new ATOM 0 HB3 SER A 2 -0.778 11.913 -4.546 1.00 1.98 H new ATOM 0 HG SER A 2 0.851 13.876 -4.719 1.00 2.83 H new ATOM 28 N SER A 3 -2.674 11.783 -6.871 1.00 0.79 N ATOM 29 CA SER A 3 -3.892 10.989 -6.938 1.00 0.73 C ATOM 30 C SER A 3 -3.989 10.166 -5.651 1.00 0.65 C ATOM 31 O SER A 3 -2.978 9.971 -4.974 1.00 0.81 O ATOM 32 CB SER A 3 -3.808 10.051 -8.149 1.00 0.86 C ATOM 33 OG SER A 3 -3.555 10.801 -9.321 1.00 1.80 O ATOM 0 H SER A 3 -1.864 11.310 -7.273 1.00 0.79 H new ATOM 0 HA SER A 3 -4.769 11.628 -7.041 1.00 0.73 H new ATOM 0 HB2 SER A 3 -3.016 9.318 -7.998 1.00 0.86 H new ATOM 0 HB3 SER A 3 -4.740 9.496 -8.256 1.00 0.86 H new ATOM 0 HG SER A 3 -3.501 10.197 -10.091 1.00 1.80 H new ATOM 39 N LYS A 4 -5.184 9.667 -5.326 1.00 0.70 N ATOM 40 CA LYS A 4 -5.377 8.592 -4.368 1.00 0.68 C ATOM 41 C LYS A 4 -5.903 7.365 -5.104 1.00 0.71 C ATOM 42 O LYS A 4 -6.447 7.502 -6.197 1.00 0.95 O ATOM 43 CB LYS A 4 -6.397 9.014 -3.313 1.00 0.99 C ATOM 44 CG LYS A 4 -5.851 10.127 -2.417 1.00 1.91 C ATOM 45 CD LYS A 4 -6.932 10.578 -1.426 1.00 2.14 C ATOM 46 CE LYS A 4 -8.046 11.418 -2.074 1.00 3.57 C ATOM 47 NZ LYS A 4 -9.141 11.712 -1.124 1.00 4.19 N ATOM 0 H LYS A 4 -6.055 10.009 -5.732 1.00 0.70 H new ATOM 0 HA LYS A 4 -4.428 8.364 -3.882 1.00 0.68 H new ATOM 0 HB2 LYS A 4 -7.309 9.355 -3.803 1.00 0.99 H new ATOM 0 HB3 LYS A 4 -6.667 8.153 -2.702 1.00 0.99 H new ATOM 0 HG2 LYS A 4 -4.974 9.772 -1.875 1.00 1.91 H new ATOM 0 HG3 LYS A 4 -5.529 10.971 -3.027 1.00 1.91 H new ATOM 0 HD2 LYS A 4 -7.376 9.699 -0.959 1.00 2.14 H new ATOM 0 HD3 LYS A 4 -6.465 11.159 -0.631 1.00 2.14 H new ATOM 0 HE2 LYS A 4 -7.626 12.353 -2.444 1.00 3.57 H new ATOM 0 HE3 LYS A 4 -8.447 10.885 -2.936 1.00 3.57 H new ATOM 0 HZ1 LYS A 4 -9.871 12.280 -1.600 1.00 4.19 H new ATOM 0 HZ2 LYS A 4 -9.559 10.820 -0.790 1.00 4.19 H new ATOM 0 HZ3 LYS A 4 -8.764 12.243 -0.313 1.00 4.19 H new ATOM 61 N CYS A 5 -5.763 6.190 -4.491 1.00 0.68 N ATOM 62 CA CYS A 5 -6.376 4.952 -4.957 1.00 0.75 C ATOM 63 C CYS A 5 -6.510 4.035 -3.739 1.00 0.75 C ATOM 64 O CYS A 5 -5.757 4.213 -2.777 1.00 0.76 O ATOM 65 CB CYS A 5 -5.512 4.321 -6.055 1.00 0.82 C ATOM 66 SG CYS A 5 -6.381 2.900 -6.740 1.00 1.47 S ATOM 0 H CYS A 5 -5.210 6.072 -3.642 1.00 0.68 H new ATOM 0 HA CYS A 5 -7.358 5.129 -5.395 1.00 0.75 H new ATOM 0 HB2 CYS A 5 -5.307 5.050 -6.839 1.00 0.82 H new ATOM 0 HB3 CYS A 5 -4.550 4.013 -5.646 1.00 0.82 H new ATOM 0 HG CYS A 5 -7.106 3.280 -7.750 1.00 1.47 H new ATOM 72 N TYR A 6 -7.462 3.097 -3.734 1.00 0.79 N ATOM 73 CA TYR A 6 -7.601 2.121 -2.667 1.00 0.80 C ATOM 74 C TYR A 6 -6.998 0.803 -3.131 1.00 0.84 C ATOM 75 O TYR A 6 -6.911 0.506 -4.320 1.00 1.02 O ATOM 76 CB TYR A 6 -9.069 1.953 -2.247 1.00 0.81 C ATOM 77 CG TYR A 6 -9.481 2.852 -1.101 1.00 0.78 C ATOM 78 CD1 TYR A 6 -9.922 4.163 -1.353 1.00 1.70 C ATOM 79 CD2 TYR A 6 -9.368 2.392 0.224 1.00 2.27 C ATOM 80 CE1 TYR A 6 -10.248 5.012 -0.281 1.00 1.71 C ATOM 81 CE2 TYR A 6 -9.699 3.241 1.294 1.00 2.73 C ATOM 82 CZ TYR A 6 -10.105 4.563 1.042 1.00 1.71 C ATOM 83 OH TYR A 6 -10.316 5.428 2.071 1.00 2.26 O ATOM 0 H TYR A 6 -8.156 2.999 -4.475 1.00 0.79 H new ATOM 0 HA TYR A 6 -7.066 2.471 -1.784 1.00 0.80 H new ATOM 0 HB2 TYR A 6 -9.709 2.157 -3.105 1.00 0.81 H new ATOM 0 HB3 TYR A 6 -9.240 0.915 -1.962 1.00 0.81 H new ATOM 0 HD1 TYR A 6 -10.010 4.518 -2.369 1.00 1.70 H new ATOM 0 HD2 TYR A 6 -9.027 1.386 0.419 1.00 2.27 H new ATOM 0 HE1 TYR A 6 -10.609 6.011 -0.475 1.00 1.71 H new ATOM 0 HE2 TYR A 6 -9.641 2.878 2.309 1.00 2.73 H new ATOM 0 HH TYR A 6 -9.907 5.072 2.887 1.00 2.26 H new ATOM 93 N ILE A 7 -6.578 0.002 -2.164 1.00 0.79 N ATOM 94 CA ILE A 7 -6.169 -1.368 -2.347 1.00 0.81 C ATOM 95 C ILE A 7 -6.864 -2.137 -1.221 1.00 1.01 C ATOM 96 O ILE A 7 -6.959 -1.647 -0.093 1.00 1.30 O ATOM 97 CB ILE A 7 -4.627 -1.485 -2.337 1.00 0.80 C ATOM 98 CG1 ILE A 7 -3.927 -0.542 -3.340 1.00 1.39 C ATOM 99 CG2 ILE A 7 -4.187 -2.905 -2.717 1.00 1.01 C ATOM 100 CD1 ILE A 7 -3.555 0.826 -2.760 1.00 1.87 C ATOM 0 H ILE A 7 -6.513 0.308 -1.193 1.00 0.79 H new ATOM 0 HA ILE A 7 -6.457 -1.782 -3.313 1.00 0.81 H new ATOM 0 HB ILE A 7 -4.338 -1.216 -1.321 1.00 0.80 H new ATOM 0 HG12 ILE A 7 -3.022 -1.027 -3.707 1.00 1.39 H new ATOM 0 HG13 ILE A 7 -4.581 -0.394 -4.200 1.00 1.39 H new ATOM 0 HG21 ILE A 7 -3.099 -2.965 -2.704 1.00 1.01 H new ATOM 0 HG22 ILE A 7 -4.598 -3.617 -2.001 1.00 1.01 H new ATOM 0 HG23 ILE A 7 -4.551 -3.144 -3.716 1.00 1.01 H new ATOM 0 HD11 ILE A 7 -3.068 1.427 -3.528 1.00 1.87 H new ATOM 0 HD12 ILE A 7 -4.457 1.334 -2.419 1.00 1.87 H new ATOM 0 HD13 ILE A 7 -2.875 0.692 -1.919 1.00 1.87 H new ATOM 112 N GLN A 8 -7.403 -3.318 -1.512 1.00 0.99 N ATOM 113 CA GLN A 8 -7.811 -4.257 -0.514 1.00 1.05 C ATOM 114 C GLN A 8 -6.609 -5.187 -0.394 1.00 1.08 C ATOM 115 O GLN A 8 -6.179 -5.755 -1.398 1.00 1.24 O ATOM 116 CB GLN A 8 -9.076 -4.946 -1.023 1.00 1.24 C ATOM 117 CG GLN A 8 -9.390 -6.129 -0.126 1.00 1.38 C ATOM 118 CD GLN A 8 -9.644 -5.697 1.316 1.00 1.82 C ATOM 119 OE1 GLN A 8 -10.611 -4.984 1.590 1.00 2.44 O ATOM 120 NE2 GLN A 8 -8.771 -6.062 2.246 1.00 2.61 N ATOM 0 H GLN A 8 -7.564 -3.638 -2.467 1.00 0.99 H new ATOM 0 HA GLN A 8 -8.063 -3.843 0.462 1.00 1.05 H new ATOM 0 HB2 GLN A 8 -9.911 -4.245 -1.027 1.00 1.24 H new ATOM 0 HB3 GLN A 8 -8.935 -5.280 -2.051 1.00 1.24 H new ATOM 0 HG2 GLN A 8 -10.267 -6.652 -0.508 1.00 1.38 H new ATOM 0 HG3 GLN A 8 -8.560 -6.835 -0.153 1.00 1.38 H new ATOM 0 HE21 GLN A 8 -7.978 -6.653 1.997 1.00 2.61 H new ATOM 0 HE22 GLN A 8 -8.893 -5.752 3.210 1.00 2.61 H new ATOM 129 N VAL A 9 -6.063 -5.309 0.814 1.00 1.02 N ATOM 130 CA VAL A 9 -4.895 -6.122 1.116 1.00 1.06 C ATOM 131 C VAL A 9 -5.312 -7.192 2.115 1.00 1.06 C ATOM 132 O VAL A 9 -6.211 -6.963 2.922 1.00 1.34 O ATOM 133 CB VAL A 9 -3.743 -5.253 1.649 1.00 1.19 C ATOM 134 CG1 VAL A 9 -3.239 -4.310 0.552 1.00 2.59 C ATOM 135 CG2 VAL A 9 -4.137 -4.437 2.885 1.00 2.06 C ATOM 0 H VAL A 9 -6.436 -4.828 1.633 1.00 1.02 H new ATOM 0 HA VAL A 9 -4.522 -6.601 0.211 1.00 1.06 H new ATOM 0 HB VAL A 9 -2.949 -5.937 1.949 1.00 1.19 H new ATOM 0 HG11 VAL A 9 -2.424 -3.701 0.942 1.00 2.59 H new ATOM 0 HG12 VAL A 9 -2.881 -4.895 -0.295 1.00 2.59 H new ATOM 0 HG13 VAL A 9 -4.053 -3.662 0.227 1.00 2.59 H new ATOM 0 HG21 VAL A 9 -3.285 -3.844 3.216 1.00 2.06 H new ATOM 0 HG22 VAL A 9 -4.965 -3.774 2.634 1.00 2.06 H new ATOM 0 HG23 VAL A 9 -4.442 -5.112 3.685 1.00 2.06 H new ATOM 145 N THR A 10 -4.687 -8.363 2.035 1.00 1.03 N ATOM 146 CA THR A 10 -5.042 -9.509 2.858 1.00 1.16 C ATOM 147 C THR A 10 -3.992 -9.700 3.958 1.00 1.15 C ATOM 148 O THR A 10 -3.229 -10.662 3.904 1.00 1.59 O ATOM 149 CB THR A 10 -5.199 -10.737 1.947 1.00 1.45 C ATOM 150 OG1 THR A 10 -5.948 -10.391 0.796 1.00 2.50 O ATOM 151 CG2 THR A 10 -5.921 -11.886 2.657 1.00 2.12 C ATOM 0 H THR A 10 -3.915 -8.542 1.392 1.00 1.03 H new ATOM 0 HA THR A 10 -5.994 -9.353 3.365 1.00 1.16 H new ATOM 0 HB THR A 10 -4.196 -11.064 1.675 1.00 1.45 H new ATOM 0 HG1 THR A 10 -5.383 -9.880 0.180 1.00 2.50 H new ATOM 0 HG21 THR A 10 -6.011 -12.734 1.978 1.00 2.12 H new ATOM 0 HG22 THR A 10 -5.352 -12.185 3.537 1.00 2.12 H new ATOM 0 HG23 THR A 10 -6.915 -11.558 2.962 1.00 2.12 H new ATOM 159 N GLY A 11 -3.933 -8.799 4.949 1.00 1.27 N ATOM 160 CA GLY A 11 -3.101 -9.029 6.127 1.00 1.31 C ATOM 161 C GLY A 11 -2.691 -7.760 6.861 1.00 1.65 C ATOM 162 O GLY A 11 -2.552 -7.773 8.081 1.00 2.36 O ATOM 0 H GLY A 11 -4.446 -7.917 4.955 1.00 1.27 H new ATOM 0 HA2 GLY A 11 -3.641 -9.676 6.818 1.00 1.31 H new ATOM 0 HA3 GLY A 11 -2.202 -9.566 5.824 1.00 1.31 H new ATOM 166 N MET A 12 -2.428 -6.684 6.117 1.00 2.35 N ATOM 167 CA MET A 12 -1.803 -5.475 6.615 1.00 3.24 C ATOM 168 C MET A 12 -0.569 -5.815 7.463 1.00 4.12 C ATOM 169 O MET A 12 -0.404 -5.264 8.542 1.00 3.89 O ATOM 170 CB MET A 12 -2.815 -4.635 7.417 1.00 3.64 C ATOM 171 CG MET A 12 -4.102 -4.261 6.664 1.00 3.38 C ATOM 172 SD MET A 12 -5.367 -5.539 6.382 1.00 3.58 S ATOM 173 CE MET A 12 -5.731 -6.065 8.073 1.00 3.89 C ATOM 0 H MET A 12 -2.654 -6.637 5.123 1.00 2.35 H new ATOM 0 HA MET A 12 -1.471 -4.880 5.764 1.00 3.24 H new ATOM 0 HB2 MET A 12 -3.087 -5.186 8.317 1.00 3.64 H new ATOM 0 HB3 MET A 12 -2.324 -3.718 7.742 1.00 3.64 H new ATOM 0 HG2 MET A 12 -4.576 -3.445 7.209 1.00 3.38 H new ATOM 0 HG3 MET A 12 -3.810 -3.867 5.690 1.00 3.38 H new ATOM 0 HE1 MET A 12 -6.639 -6.668 8.079 1.00 3.89 H new ATOM 0 HE2 MET A 12 -4.900 -6.656 8.457 1.00 3.89 H new ATOM 0 HE3 MET A 12 -5.874 -5.188 8.704 1.00 3.89 H new ATOM 183 N THR A 13 0.269 -6.770 7.047 1.00 5.49 N ATOM 184 CA THR A 13 1.398 -7.264 7.849 1.00 6.44 C ATOM 185 C THR A 13 1.042 -7.818 9.248 1.00 4.83 C ATOM 186 O THR A 13 1.951 -8.262 9.939 1.00 5.83 O ATOM 187 CB THR A 13 2.556 -6.238 7.915 1.00 8.72 C ATOM 188 OG1 THR A 13 2.125 -4.893 7.937 1.00 9.10 O ATOM 189 CG2 THR A 13 3.518 -6.359 6.740 1.00 10.82 C ATOM 0 H THR A 13 0.184 -7.226 6.139 1.00 5.49 H new ATOM 0 HA THR A 13 1.741 -8.140 7.299 1.00 6.44 H new ATOM 0 HB THR A 13 3.052 -6.485 8.854 1.00 8.72 H new ATOM 0 HG1 THR A 13 1.328 -4.814 8.501 1.00 9.10 H new ATOM 0 HG21 THR A 13 4.309 -5.615 6.839 1.00 10.82 H new ATOM 0 HG22 THR A 13 3.957 -7.357 6.730 1.00 10.82 H new ATOM 0 HG23 THR A 13 2.977 -6.192 5.808 1.00 10.82 H new ATOM 197 N CYS A 14 -0.240 -7.853 9.631 1.00 2.66 N ATOM 198 CA CYS A 14 -0.755 -8.078 10.976 1.00 1.75 C ATOM 199 C CYS A 14 -0.637 -6.827 11.868 1.00 2.37 C ATOM 200 O CYS A 14 -0.159 -5.771 11.446 1.00 3.89 O ATOM 201 CB CYS A 14 -0.340 -9.441 11.579 1.00 1.89 C ATOM 202 SG CYS A 14 0.825 -9.364 12.971 1.00 4.03 S ATOM 0 H CYS A 14 -0.993 -7.714 8.957 1.00 2.66 H new ATOM 0 HA CYS A 14 -1.835 -8.210 10.905 1.00 1.75 H new ATOM 0 HB2 CYS A 14 -1.239 -9.960 11.910 1.00 1.89 H new ATOM 0 HB3 CYS A 14 0.105 -10.046 10.789 1.00 1.89 H new ATOM 207 N ALA A 15 -1.193 -6.910 13.079 1.00 2.13 N ATOM 208 CA ALA A 15 -1.378 -5.773 13.971 1.00 2.85 C ATOM 209 C ALA A 15 -0.044 -5.090 14.282 1.00 2.59 C ATOM 210 O ALA A 15 0.930 -5.760 14.606 1.00 2.92 O ATOM 211 CB ALA A 15 -2.051 -6.243 15.263 1.00 4.04 C ATOM 0 H ALA A 15 -1.532 -7.789 13.471 1.00 2.13 H new ATOM 0 HA ALA A 15 -2.016 -5.041 13.475 1.00 2.85 H new ATOM 0 HB1 ALA A 15 -2.190 -5.393 15.931 1.00 4.04 H new ATOM 0 HB2 ALA A 15 -3.021 -6.683 15.029 1.00 4.04 H new ATOM 0 HB3 ALA A 15 -1.423 -6.988 15.750 1.00 4.04 H new ATOM 217 N SER A 16 0.012 -3.757 14.186 1.00 2.81 N ATOM 218 CA SER A 16 1.167 -2.933 14.553 1.00 2.91 C ATOM 219 C SER A 16 2.324 -3.014 13.549 1.00 2.75 C ATOM 220 O SER A 16 2.957 -1.999 13.275 1.00 3.05 O ATOM 221 CB SER A 16 1.653 -3.251 15.970 1.00 3.83 C ATOM 222 OG SER A 16 0.557 -3.256 16.868 1.00 5.03 O ATOM 0 H SER A 16 -0.772 -3.205 13.839 1.00 2.81 H new ATOM 0 HA SER A 16 0.812 -1.903 14.527 1.00 2.91 H new ATOM 0 HB2 SER A 16 2.150 -4.221 15.984 1.00 3.83 H new ATOM 0 HB3 SER A 16 2.389 -2.512 16.286 1.00 3.83 H new ATOM 0 HG SER A 16 0.875 -3.462 17.772 1.00 5.03 H new ATOM 228 N CYS A 17 2.581 -4.192 12.984 1.00 2.79 N ATOM 229 CA CYS A 17 3.569 -4.476 11.955 1.00 3.35 C ATOM 230 C CYS A 17 3.371 -3.576 10.742 1.00 2.57 C ATOM 231 O CYS A 17 4.326 -3.222 10.055 1.00 2.84 O ATOM 232 CB CYS A 17 3.411 -5.938 11.555 1.00 4.00 C ATOM 233 SG CYS A 17 3.782 -7.015 12.959 1.00 5.67 S ATOM 0 H CYS A 17 2.066 -5.030 13.255 1.00 2.79 H new ATOM 0 HA CYS A 17 4.571 -4.286 12.340 1.00 3.35 H new ATOM 0 HB2 CYS A 17 2.394 -6.119 11.207 1.00 4.00 H new ATOM 0 HB3 CYS A 17 4.078 -6.169 10.724 1.00 4.00 H new ATOM 238 N VAL A 18 2.135 -3.148 10.507 1.00 1.71 N ATOM 239 CA VAL A 18 1.842 -2.038 9.616 1.00 1.34 C ATOM 240 C VAL A 18 2.864 -0.896 9.709 1.00 0.94 C ATOM 241 O VAL A 18 3.277 -0.361 8.688 1.00 0.91 O ATOM 242 CB VAL A 18 0.439 -1.519 9.906 1.00 1.22 C ATOM 243 CG1 VAL A 18 -0.605 -2.497 9.383 1.00 2.44 C ATOM 244 CG2 VAL A 18 0.183 -1.256 11.383 1.00 2.17 C ATOM 0 H VAL A 18 1.307 -3.565 10.932 1.00 1.71 H new ATOM 0 HA VAL A 18 1.905 -2.417 8.596 1.00 1.34 H new ATOM 0 HB VAL A 18 0.360 -0.562 9.390 1.00 1.22 H new ATOM 0 HG11 VAL A 18 -1.603 -2.113 9.597 1.00 2.44 H new ATOM 0 HG12 VAL A 18 -0.485 -2.616 8.306 1.00 2.44 H new ATOM 0 HG13 VAL A 18 -0.475 -3.463 9.871 1.00 2.44 H new ATOM 0 HG21 VAL A 18 -0.835 -0.889 11.516 1.00 2.17 H new ATOM 0 HG22 VAL A 18 0.311 -2.181 11.945 1.00 2.17 H new ATOM 0 HG23 VAL A 18 0.889 -0.509 11.747 1.00 2.17 H new ATOM 254 N ALA A 19 3.311 -0.549 10.916 1.00 1.01 N ATOM 255 CA ALA A 19 4.364 0.426 11.147 1.00 1.20 C ATOM 256 C ALA A 19 5.544 0.189 10.201 1.00 1.41 C ATOM 257 O ALA A 19 6.002 1.115 9.529 1.00 1.36 O ATOM 258 CB ALA A 19 4.809 0.326 12.609 1.00 1.65 C ATOM 0 H ALA A 19 2.939 -0.950 11.777 1.00 1.01 H new ATOM 0 HA ALA A 19 3.985 1.428 10.947 1.00 1.20 H new ATOM 0 HB1 ALA A 19 5.600 1.052 12.799 1.00 1.65 H new ATOM 0 HB2 ALA A 19 3.961 0.533 13.262 1.00 1.65 H new ATOM 0 HB3 ALA A 19 5.183 -0.678 12.808 1.00 1.65 H new ATOM 264 N ASN A 20 6.009 -1.064 10.120 1.00 1.82 N ATOM 265 CA ASN A 20 7.029 -1.460 9.162 1.00 2.10 C ATOM 266 C ASN A 20 6.579 -1.080 7.762 1.00 1.72 C ATOM 267 O ASN A 20 7.300 -0.374 7.067 1.00 1.65 O ATOM 268 CB ASN A 20 7.375 -2.959 9.279 1.00 2.65 C ATOM 269 CG ASN A 20 7.739 -3.637 7.954 1.00 2.88 C ATOM 270 OD1 ASN A 20 8.913 -3.847 7.668 1.00 3.20 O ATOM 271 ND2 ASN A 20 6.752 -4.011 7.138 1.00 2.85 N ATOM 0 H ASN A 20 5.685 -1.824 10.718 1.00 1.82 H new ATOM 0 HA ASN A 20 7.952 -0.924 9.385 1.00 2.10 H new ATOM 0 HB2 ASN A 20 8.210 -3.072 9.971 1.00 2.65 H new ATOM 0 HB3 ASN A 20 6.524 -3.481 9.717 1.00 2.65 H new ATOM 0 HD21 ASN A 20 6.968 -4.481 6.259 1.00 2.85 H new ATOM 0 HD22 ASN A 20 5.782 -3.827 7.394 1.00 2.85 H new ATOM 278 N ILE A 21 5.419 -1.566 7.314 1.00 1.60 N ATOM 279 CA ILE A 21 5.095 -1.542 5.920 1.00 1.71 C ATOM 280 C ILE A 21 4.898 -0.108 5.462 1.00 1.08 C ATOM 281 O ILE A 21 5.396 0.250 4.402 1.00 1.11 O ATOM 282 CB ILE A 21 3.910 -2.493 5.680 1.00 2.29 C ATOM 283 CG1 ILE A 21 4.054 -3.127 4.309 1.00 2.53 C ATOM 284 CG2 ILE A 21 2.530 -1.818 5.729 1.00 2.52 C ATOM 285 CD1 ILE A 21 5.196 -4.132 4.137 1.00 4.51 C ATOM 0 H ILE A 21 4.701 -1.977 7.911 1.00 1.60 H new ATOM 0 HA ILE A 21 5.908 -1.915 5.297 1.00 1.71 H new ATOM 0 HB ILE A 21 3.947 -3.219 6.492 1.00 2.29 H new ATOM 0 HG12 ILE A 21 3.118 -3.630 4.066 1.00 2.53 H new ATOM 0 HG13 ILE A 21 4.188 -2.330 3.577 1.00 2.53 H new ATOM 0 HG21 ILE A 21 1.754 -2.562 5.549 1.00 2.52 H new ATOM 0 HG22 ILE A 21 2.380 -1.367 6.710 1.00 2.52 H new ATOM 0 HG23 ILE A 21 2.476 -1.045 4.962 1.00 2.52 H new ATOM 0 HD11 ILE A 21 5.194 -4.514 3.116 1.00 4.51 H new ATOM 0 HD12 ILE A 21 6.147 -3.640 4.338 1.00 4.51 H new ATOM 0 HD13 ILE A 21 5.061 -4.959 4.834 1.00 4.51 H new ATOM 297 N GLU A 22 4.269 0.721 6.290 1.00 0.76 N ATOM 298 CA GLU A 22 4.152 2.153 6.102 1.00 0.90 C ATOM 299 C GLU A 22 5.532 2.791 5.960 1.00 0.79 C ATOM 300 O GLU A 22 5.828 3.451 4.959 1.00 0.99 O ATOM 301 CB GLU A 22 3.401 2.726 7.304 1.00 1.30 C ATOM 302 CG GLU A 22 1.935 2.275 7.291 1.00 1.97 C ATOM 303 CD GLU A 22 1.180 2.793 8.509 1.00 2.73 C ATOM 304 OE1 GLU A 22 1.468 3.946 8.901 1.00 3.11 O ATOM 305 OE2 GLU A 22 0.340 2.029 9.028 1.00 3.67 O ATOM 0 H GLU A 22 3.811 0.395 7.141 1.00 0.76 H new ATOM 0 HA GLU A 22 3.603 2.371 5.186 1.00 0.90 H new ATOM 0 HB2 GLU A 22 3.879 2.400 8.228 1.00 1.30 H new ATOM 0 HB3 GLU A 22 3.452 3.815 7.286 1.00 1.30 H new ATOM 0 HG2 GLU A 22 1.451 2.633 6.382 1.00 1.97 H new ATOM 0 HG3 GLU A 22 1.888 1.186 7.269 1.00 1.97 H new ATOM 312 N ARG A 23 6.392 2.582 6.961 1.00 1.06 N ATOM 313 CA ARG A 23 7.761 3.069 6.926 1.00 1.61 C ATOM 314 C ARG A 23 8.441 2.602 5.632 1.00 1.50 C ATOM 315 O ARG A 23 9.195 3.358 5.020 1.00 1.71 O ATOM 316 CB ARG A 23 8.494 2.595 8.193 1.00 2.22 C ATOM 317 CG ARG A 23 9.720 3.413 8.604 1.00 2.55 C ATOM 318 CD ARG A 23 10.889 3.344 7.616 1.00 3.13 C ATOM 319 NE ARG A 23 12.143 3.798 8.237 1.00 4.00 N ATOM 320 CZ ARG A 23 13.323 3.863 7.599 1.00 5.27 C ATOM 321 NH1 ARG A 23 13.396 3.519 6.309 1.00 6.16 N ATOM 322 NH2 ARG A 23 14.417 4.271 8.252 1.00 6.19 N ATOM 0 H ARG A 23 6.154 2.072 7.812 1.00 1.06 H new ATOM 0 HA ARG A 23 7.787 4.159 6.921 1.00 1.61 H new ATOM 0 HB2 ARG A 23 7.785 2.598 9.021 1.00 2.22 H new ATOM 0 HB3 ARG A 23 8.805 1.561 8.043 1.00 2.22 H new ATOM 0 HG2 ARG A 23 9.423 4.455 8.724 1.00 2.55 H new ATOM 0 HG3 ARG A 23 10.063 3.066 9.578 1.00 2.55 H new ATOM 0 HD2 ARG A 23 11.007 2.320 7.260 1.00 3.13 H new ATOM 0 HD3 ARG A 23 10.668 3.961 6.745 1.00 3.13 H new ATOM 0 HE ARG A 23 12.114 4.082 9.216 1.00 4.00 H new ATOM 0 HH11 ARG A 23 12.559 3.210 5.816 1.00 6.16 H new ATOM 0 HH12 ARG A 23 14.289 3.566 5.818 1.00 6.16 H new ATOM 0 HH21 ARG A 23 14.356 4.533 9.236 1.00 6.19 H new ATOM 0 HH22 ARG A 23 15.312 4.320 7.766 1.00 6.19 H new ATOM 336 N ASN A 24 8.182 1.366 5.197 1.00 1.44 N ATOM 337 CA ASN A 24 8.787 0.810 4.025 1.00 1.77 C ATOM 338 C ASN A 24 8.182 1.475 2.783 1.00 1.33 C ATOM 339 O ASN A 24 8.939 1.848 1.909 1.00 1.45 O ATOM 340 CB ASN A 24 8.696 -0.720 4.110 1.00 2.44 C ATOM 341 CG ASN A 24 8.250 -1.316 2.806 1.00 2.49 C ATOM 342 OD1 ASN A 24 9.060 -1.708 1.967 1.00 3.38 O ATOM 343 ND2 ASN A 24 6.938 -1.335 2.640 1.00 2.43 N ATOM 0 H ASN A 24 7.537 0.731 5.667 1.00 1.44 H new ATOM 0 HA ASN A 24 9.853 1.022 3.947 1.00 1.77 H new ATOM 0 HB2 ASN A 24 9.668 -1.129 4.385 1.00 2.44 H new ATOM 0 HB3 ASN A 24 7.997 -1.001 4.898 1.00 2.44 H new ATOM 0 HD21 ASN A 24 6.539 -1.692 1.772 1.00 2.43 H new ATOM 0 HD22 ASN A 24 6.325 -0.993 3.380 1.00 2.43 H new ATOM 350 N LEU A 25 6.869 1.710 2.690 1.00 1.04 N ATOM 351 CA LEU A 25 6.260 2.402 1.559 1.00 0.93 C ATOM 352 C LEU A 25 6.913 3.779 1.398 1.00 0.90 C ATOM 353 O LEU A 25 7.192 4.231 0.292 1.00 1.16 O ATOM 354 CB LEU A 25 4.727 2.492 1.754 1.00 0.95 C ATOM 355 CG LEU A 25 3.838 1.353 1.187 1.00 1.27 C ATOM 356 CD1 LEU A 25 4.589 0.138 0.617 1.00 1.62 C ATOM 357 CD2 LEU A 25 2.827 0.698 2.134 1.00 2.55 C ATOM 0 H LEU A 25 6.199 1.422 3.403 1.00 1.04 H new ATOM 0 HA LEU A 25 6.430 1.844 0.638 1.00 0.93 H new ATOM 0 HB2 LEU A 25 4.533 2.562 2.824 1.00 0.95 H new ATOM 0 HB3 LEU A 25 4.391 3.428 1.307 1.00 0.95 H new ATOM 0 HG LEU A 25 3.340 1.954 0.426 1.00 1.27 H new ATOM 0 HD11 LEU A 25 3.870 -0.594 0.249 1.00 1.62 H new ATOM 0 HD12 LEU A 25 5.231 0.459 -0.203 1.00 1.62 H new ATOM 0 HD13 LEU A 25 5.198 -0.313 1.400 1.00 1.62 H new ATOM 0 HD21 LEU A 25 2.279 -0.078 1.600 1.00 2.55 H new ATOM 0 HD22 LEU A 25 3.354 0.255 2.979 1.00 2.55 H new ATOM 0 HD23 LEU A 25 2.128 1.451 2.497 1.00 2.55 H new ATOM 369 N ARG A 26 7.226 4.437 2.510 1.00 0.87 N ATOM 370 CA ARG A 26 7.928 5.712 2.490 1.00 1.25 C ATOM 371 C ARG A 26 9.369 5.660 1.952 1.00 1.92 C ATOM 372 O ARG A 26 9.932 6.722 1.701 1.00 2.54 O ATOM 373 CB ARG A 26 7.747 6.431 3.828 1.00 1.19 C ATOM 374 CG ARG A 26 6.291 6.925 3.866 1.00 2.24 C ATOM 375 CD ARG A 26 5.832 7.307 5.276 1.00 3.31 C ATOM 376 NE ARG A 26 6.553 8.488 5.773 1.00 4.07 N ATOM 377 CZ ARG A 26 6.222 9.175 6.879 1.00 5.25 C ATOM 378 NH1 ARG A 26 5.230 8.735 7.662 1.00 5.86 N ATOM 379 NH2 ARG A 26 6.880 10.297 7.192 1.00 6.29 N ATOM 0 H ARG A 26 7.000 4.101 3.446 1.00 0.87 H new ATOM 0 HA ARG A 26 7.454 6.333 1.729 1.00 1.25 H new ATOM 0 HB2 ARG A 26 7.950 5.757 4.661 1.00 1.19 H new ATOM 0 HB3 ARG A 26 8.442 7.266 3.917 1.00 1.19 H new ATOM 0 HG2 ARG A 26 6.187 7.788 3.209 1.00 2.24 H new ATOM 0 HG3 ARG A 26 5.637 6.146 3.474 1.00 2.24 H new ATOM 0 HD2 ARG A 26 4.761 7.509 5.269 1.00 3.31 H new ATOM 0 HD3 ARG A 26 5.994 6.468 5.953 1.00 3.31 H new ATOM 0 HE ARG A 26 7.362 8.808 5.240 1.00 4.07 H new ATOM 0 HH11 ARG A 26 4.728 7.881 7.418 1.00 5.86 H new ATOM 0 HH12 ARG A 26 4.976 9.254 8.503 1.00 5.86 H new ATOM 0 HH21 ARG A 26 7.633 10.631 6.591 1.00 6.29 H new ATOM 0 HH22 ARG A 26 6.628 10.818 8.032 1.00 6.29 H new ATOM 393 N ARG A 27 9.998 4.487 1.769 1.00 2.19 N ATOM 394 CA ARG A 27 11.242 4.411 1.011 1.00 2.83 C ATOM 395 C ARG A 27 11.017 4.762 -0.466 1.00 2.55 C ATOM 396 O ARG A 27 11.977 5.045 -1.180 1.00 3.28 O ATOM 397 CB ARG A 27 11.970 3.082 1.290 1.00 3.79 C ATOM 398 CG ARG A 27 11.385 1.994 0.403 1.00 3.76 C ATOM 399 CD ARG A 27 11.359 0.556 0.934 1.00 4.92 C ATOM 400 NE ARG A 27 12.464 -0.258 0.411 1.00 5.81 N ATOM 401 CZ ARG A 27 12.395 -1.584 0.196 1.00 7.16 C ATOM 402 NH1 ARG A 27 11.326 -2.293 0.585 1.00 8.01 N ATOM 403 NH2 ARG A 27 13.415 -2.205 -0.406 1.00 8.24 N ATOM 0 H ARG A 27 9.665 3.594 2.133 1.00 2.19 H new ATOM 0 HA ARG A 27 11.936 5.177 1.356 1.00 2.83 H new ATOM 0 HB2 ARG A 27 13.037 3.191 1.096 1.00 3.79 H new ATOM 0 HB3 ARG A 27 11.863 2.809 2.340 1.00 3.79 H new ATOM 0 HG2 ARG A 27 10.360 2.277 0.162 1.00 3.76 H new ATOM 0 HG3 ARG A 27 11.944 1.992 -0.533 1.00 3.76 H new ATOM 0 HD2 ARG A 27 11.409 0.573 2.023 1.00 4.92 H new ATOM 0 HD3 ARG A 27 10.411 0.090 0.666 1.00 4.92 H new ATOM 0 HE ARG A 27 13.343 0.214 0.196 1.00 5.81 H new ATOM 0 HH11 ARG A 27 10.548 -1.828 1.052 1.00 8.01 H new ATOM 0 HH12 ARG A 27 11.291 -3.298 0.414 1.00 8.01 H new ATOM 0 HH21 ARG A 27 14.235 -1.673 -0.697 1.00 8.24 H new ATOM 0 HH22 ARG A 27 13.373 -3.210 -0.574 1.00 8.24 H new ATOM 417 N GLU A 28 9.763 4.716 -0.925 1.00 1.88 N ATOM 418 CA GLU A 28 9.424 4.738 -2.332 1.00 2.34 C ATOM 419 C GLU A 28 8.904 6.122 -2.693 1.00 1.53 C ATOM 420 O GLU A 28 7.709 6.408 -2.601 1.00 2.43 O ATOM 421 CB GLU A 28 8.452 3.588 -2.631 1.00 4.08 C ATOM 422 CG GLU A 28 8.937 2.368 -1.839 1.00 4.69 C ATOM 423 CD GLU A 28 8.464 1.045 -2.405 1.00 6.71 C ATOM 424 OE1 GLU A 28 7.254 0.769 -2.250 1.00 7.58 O ATOM 425 OE2 GLU A 28 9.326 0.323 -2.948 1.00 7.74 O ATOM 0 H GLU A 28 8.950 4.662 -0.312 1.00 1.88 H new ATOM 0 HA GLU A 28 10.294 4.568 -2.966 1.00 2.34 H new ATOM 0 HB2 GLU A 28 7.437 3.857 -2.340 1.00 4.08 H new ATOM 0 HB3 GLU A 28 8.430 3.370 -3.699 1.00 4.08 H new ATOM 0 HG2 GLU A 28 10.027 2.373 -1.813 1.00 4.69 H new ATOM 0 HG3 GLU A 28 8.593 2.455 -0.808 1.00 4.69 H new ATOM 432 N GLU A 29 9.840 6.979 -3.109 1.00 1.64 N ATOM 433 CA GLU A 29 9.542 8.238 -3.763 1.00 2.64 C ATOM 434 C GLU A 29 8.439 7.980 -4.788 1.00 1.90 C ATOM 435 O GLU A 29 8.460 6.978 -5.505 1.00 2.23 O ATOM 436 CB GLU A 29 10.819 8.821 -4.389 1.00 4.29 C ATOM 437 CG GLU A 29 10.583 10.134 -5.150 1.00 5.81 C ATOM 438 CD GLU A 29 9.875 11.181 -4.303 1.00 7.45 C ATOM 439 OE1 GLU A 29 10.578 11.932 -3.600 1.00 8.19 O ATOM 440 OE2 GLU A 29 8.625 11.189 -4.361 1.00 8.44 O ATOM 0 H GLU A 29 10.839 6.807 -2.995 1.00 1.64 H new ATOM 0 HA GLU A 29 9.186 8.984 -3.052 1.00 2.64 H new ATOM 0 HB2 GLU A 29 11.554 8.993 -3.603 1.00 4.29 H new ATOM 0 HB3 GLU A 29 11.248 8.087 -5.071 1.00 4.29 H new ATOM 0 HG2 GLU A 29 11.540 10.531 -5.487 1.00 5.81 H new ATOM 0 HG3 GLU A 29 9.990 9.931 -6.042 1.00 5.81 H new ATOM 447 N GLY A 30 7.436 8.846 -4.776 1.00 1.42 N ATOM 448 CA GLY A 30 6.175 8.632 -5.447 1.00 0.89 C ATOM 449 C GLY A 30 5.034 8.421 -4.455 1.00 0.79 C ATOM 450 O GLY A 30 3.928 8.890 -4.720 1.00 1.00 O ATOM 0 H GLY A 30 7.484 9.738 -4.285 1.00 1.42 H new ATOM 0 HA2 GLY A 30 5.951 9.489 -6.082 1.00 0.89 H new ATOM 0 HA3 GLY A 30 6.254 7.763 -6.101 1.00 0.89 H new ATOM 454 N ILE A 31 5.268 7.746 -3.317 1.00 0.71 N ATOM 455 CA ILE A 31 4.236 7.617 -2.283 1.00 0.71 C ATOM 456 C ILE A 31 4.249 8.870 -1.419 1.00 0.89 C ATOM 457 O ILE A 31 5.278 9.194 -0.831 1.00 1.37 O ATOM 458 CB ILE A 31 4.462 6.372 -1.394 1.00 0.88 C ATOM 459 CG1 ILE A 31 4.454 5.132 -2.290 1.00 1.22 C ATOM 460 CG2 ILE A 31 3.421 6.240 -0.278 1.00 1.29 C ATOM 461 CD1 ILE A 31 4.140 3.782 -1.651 1.00 2.15 C ATOM 0 H ILE A 31 6.152 7.288 -3.094 1.00 0.71 H new ATOM 0 HA ILE A 31 3.271 7.498 -2.775 1.00 0.71 H new ATOM 0 HB ILE A 31 5.425 6.478 -0.894 1.00 0.88 H new ATOM 0 HG12 ILE A 31 3.728 5.301 -3.085 1.00 1.22 H new ATOM 0 HG13 ILE A 31 5.433 5.057 -2.763 1.00 1.22 H new ATOM 0 HG21 ILE A 31 3.631 5.348 0.312 1.00 1.29 H new ATOM 0 HG22 ILE A 31 3.464 7.119 0.365 1.00 1.29 H new ATOM 0 HG23 ILE A 31 2.426 6.159 -0.716 1.00 1.29 H new ATOM 0 HD11 ILE A 31 4.172 3.003 -2.412 1.00 2.15 H new ATOM 0 HD12 ILE A 31 4.877 3.565 -0.878 1.00 2.15 H new ATOM 0 HD13 ILE A 31 3.146 3.813 -1.206 1.00 2.15 H new ATOM 473 N TYR A 32 3.092 9.526 -1.262 1.00 0.69 N ATOM 474 CA TYR A 32 2.912 10.451 -0.152 1.00 0.95 C ATOM 475 C TYR A 32 1.568 10.267 0.546 1.00 0.89 C ATOM 476 O TYR A 32 0.934 11.214 1.018 1.00 1.06 O ATOM 477 CB TYR A 32 2.958 11.871 -0.691 1.00 1.21 C ATOM 478 CG TYR A 32 3.867 12.113 -1.882 1.00 1.20 C ATOM 479 CD1 TYR A 32 5.260 12.212 -1.720 1.00 2.10 C ATOM 480 CD2 TYR A 32 3.318 12.058 -3.177 1.00 2.03 C ATOM 481 CE1 TYR A 32 6.096 12.238 -2.849 1.00 2.59 C ATOM 482 CE2 TYR A 32 4.154 12.093 -4.302 1.00 2.72 C ATOM 483 CZ TYR A 32 5.547 12.147 -4.142 1.00 2.67 C ATOM 484 OH TYR A 32 6.350 12.096 -5.244 1.00 3.57 O ATOM 0 H TYR A 32 2.286 9.432 -1.879 1.00 0.69 H new ATOM 0 HA TYR A 32 3.706 10.256 0.568 1.00 0.95 H new ATOM 0 HB2 TYR A 32 1.946 12.163 -0.969 1.00 1.21 H new ATOM 0 HB3 TYR A 32 3.270 12.533 0.117 1.00 1.21 H new ATOM 0 HD1 TYR A 32 5.687 12.268 -0.729 1.00 2.10 H new ATOM 0 HD2 TYR A 32 2.248 11.989 -3.305 1.00 2.03 H new ATOM 0 HE1 TYR A 32 7.165 12.328 -2.724 1.00 2.59 H new ATOM 0 HE2 TYR A 32 3.725 12.078 -5.293 1.00 2.72 H new ATOM 0 HH TYR A 32 7.139 11.548 -5.049 1.00 3.57 H new ATOM 494 N SER A 33 1.219 9.011 0.727 1.00 0.82 N ATOM 495 CA SER A 33 0.498 8.434 1.853 1.00 1.06 C ATOM 496 C SER A 33 0.618 6.925 1.728 1.00 1.16 C ATOM 497 O SER A 33 0.430 6.387 0.638 1.00 1.34 O ATOM 498 CB SER A 33 -0.976 8.850 1.956 1.00 1.10 C ATOM 499 OG SER A 33 -1.490 8.488 3.223 1.00 2.08 O ATOM 0 H SER A 33 1.451 8.302 0.032 1.00 0.82 H new ATOM 0 HA SER A 33 0.947 8.814 2.771 1.00 1.06 H new ATOM 0 HB2 SER A 33 -1.071 9.926 1.809 1.00 1.10 H new ATOM 0 HB3 SER A 33 -1.555 8.369 1.168 1.00 1.10 H new ATOM 0 HG SER A 33 -2.430 8.757 3.284 1.00 2.08 H new ATOM 505 N ILE A 34 0.856 6.253 2.844 1.00 1.20 N ATOM 506 CA ILE A 34 1.009 4.832 2.927 1.00 1.10 C ATOM 507 C ILE A 34 -0.361 4.170 2.896 1.00 1.67 C ATOM 508 O ILE A 34 -1.306 4.563 3.576 1.00 2.20 O ATOM 509 CB ILE A 34 1.739 4.512 4.239 1.00 1.14 C ATOM 510 CG1 ILE A 34 0.938 4.825 5.525 1.00 1.71 C ATOM 511 CG2 ILE A 34 3.105 5.208 4.265 1.00 1.00 C ATOM 512 CD1 ILE A 34 0.302 6.198 5.668 1.00 2.38 C ATOM 0 H ILE A 34 0.950 6.715 3.748 1.00 1.20 H new ATOM 0 HA ILE A 34 1.586 4.453 2.084 1.00 1.10 H new ATOM 0 HB ILE A 34 1.867 3.430 4.247 1.00 1.14 H new ATOM 0 HG12 ILE A 34 0.145 4.082 5.611 1.00 1.71 H new ATOM 0 HG13 ILE A 34 1.605 4.679 6.375 1.00 1.71 H new ATOM 0 HG21 ILE A 34 3.615 4.975 5.200 1.00 1.00 H new ATOM 0 HG22 ILE A 34 3.707 4.859 3.426 1.00 1.00 H new ATOM 0 HG23 ILE A 34 2.966 6.286 4.187 1.00 1.00 H new ATOM 0 HD11 ILE A 34 -0.222 6.259 6.622 1.00 2.38 H new ATOM 0 HD12 ILE A 34 1.077 6.964 5.630 1.00 2.38 H new ATOM 0 HD13 ILE A 34 -0.406 6.358 4.854 1.00 2.38 H new ATOM 524 N LEU A 35 -0.466 3.126 2.093 1.00 1.82 N ATOM 525 CA LEU A 35 -1.690 2.417 1.874 1.00 2.43 C ATOM 526 C LEU A 35 -1.942 1.430 3.002 1.00 1.93 C ATOM 527 O LEU A 35 -1.926 0.221 2.811 1.00 2.06 O ATOM 528 CB LEU A 35 -1.617 1.743 0.512 1.00 3.37 C ATOM 529 CG LEU A 35 -0.397 0.816 0.482 1.00 4.06 C ATOM 530 CD1 LEU A 35 -0.699 -0.635 0.135 1.00 4.47 C ATOM 531 CD2 LEU A 35 0.606 1.374 -0.522 1.00 4.83 C ATOM 0 H LEU A 35 0.323 2.748 1.568 1.00 1.82 H new ATOM 0 HA LEU A 35 -2.537 3.103 1.874 1.00 2.43 H new ATOM 0 HB2 LEU A 35 -2.527 1.174 0.324 1.00 3.37 H new ATOM 0 HB3 LEU A 35 -1.541 2.492 -0.276 1.00 3.37 H new ATOM 0 HG LEU A 35 -0.002 0.795 1.498 1.00 4.06 H new ATOM 0 HD11 LEU A 35 0.227 -1.210 0.139 1.00 4.47 H new ATOM 0 HD12 LEU A 35 -1.387 -1.050 0.872 1.00 4.47 H new ATOM 0 HD13 LEU A 35 -1.153 -0.686 -0.855 1.00 4.47 H new ATOM 0 HD21 LEU A 35 1.483 0.727 -0.558 1.00 4.83 H new ATOM 0 HD22 LEU A 35 0.146 1.418 -1.509 1.00 4.83 H new ATOM 0 HD23 LEU A 35 0.907 2.376 -0.217 1.00 4.83 H new ATOM 543 N VAL A 36 -2.214 1.949 4.189 1.00 1.60 N ATOM 544 CA VAL A 36 -2.722 1.133 5.273 1.00 1.27 C ATOM 545 C VAL A 36 -3.955 1.763 5.917 1.00 1.17 C ATOM 546 O VAL A 36 -4.023 2.966 6.148 1.00 1.52 O ATOM 547 CB VAL A 36 -1.608 0.781 6.267 1.00 1.34 C ATOM 548 CG1 VAL A 36 -2.204 0.414 7.621 1.00 1.29 C ATOM 549 CG2 VAL A 36 -0.848 -0.451 5.766 1.00 1.48 C ATOM 0 H VAL A 36 -2.090 2.934 4.423 1.00 1.60 H new ATOM 0 HA VAL A 36 -3.065 0.183 4.864 1.00 1.27 H new ATOM 0 HB VAL A 36 -0.950 1.645 6.359 1.00 1.34 H new ATOM 0 HG11 VAL A 36 -1.402 0.166 8.316 1.00 1.29 H new ATOM 0 HG12 VAL A 36 -2.773 1.259 8.009 1.00 1.29 H new ATOM 0 HG13 VAL A 36 -2.864 -0.446 7.507 1.00 1.29 H new ATOM 0 HG21 VAL A 36 -0.056 -0.702 6.472 1.00 1.48 H new ATOM 0 HG22 VAL A 36 -1.536 -1.292 5.678 1.00 1.48 H new ATOM 0 HG23 VAL A 36 -0.411 -0.237 4.791 1.00 1.48 H new ATOM 559 N ALA A 37 -4.908 0.885 6.224 1.00 1.22 N ATOM 560 CA ALA A 37 -6.100 1.114 7.019 1.00 1.20 C ATOM 561 C ALA A 37 -6.484 -0.214 7.670 1.00 1.18 C ATOM 562 O ALA A 37 -7.469 -0.849 7.293 1.00 1.23 O ATOM 563 CB ALA A 37 -7.224 1.686 6.152 1.00 1.12 C ATOM 0 H ALA A 37 -4.857 -0.079 5.894 1.00 1.22 H new ATOM 0 HA ALA A 37 -5.914 1.853 7.798 1.00 1.20 H new ATOM 0 HB1 ALA A 37 -8.109 1.851 6.766 1.00 1.12 H new ATOM 0 HB2 ALA A 37 -6.903 2.632 5.717 1.00 1.12 H new ATOM 0 HB3 ALA A 37 -7.462 0.983 5.354 1.00 1.12 H new ATOM 569 N LEU A 38 -5.700 -0.627 8.672 1.00 1.15 N ATOM 570 CA LEU A 38 -6.028 -1.739 9.565 1.00 1.05 C ATOM 571 C LEU A 38 -7.450 -1.623 10.056 1.00 0.99 C ATOM 572 O LEU A 38 -8.161 -2.623 10.120 1.00 1.24 O ATOM 573 CB LEU A 38 -5.148 -1.821 10.826 1.00 1.22 C ATOM 574 CG LEU A 38 -4.609 -0.501 11.400 1.00 2.25 C ATOM 575 CD1 LEU A 38 -4.086 -0.751 12.820 1.00 2.98 C ATOM 576 CD2 LEU A 38 -3.475 0.049 10.529 1.00 3.36 C ATOM 0 H LEU A 38 -4.804 -0.189 8.887 1.00 1.15 H new ATOM 0 HA LEU A 38 -5.861 -2.629 8.958 1.00 1.05 H new ATOM 0 HB2 LEU A 38 -5.724 -2.317 11.607 1.00 1.22 H new ATOM 0 HB3 LEU A 38 -4.296 -2.463 10.601 1.00 1.22 H new ATOM 0 HG LEU A 38 -5.416 0.231 11.418 1.00 2.25 H new ATOM 0 HD11 LEU A 38 -3.701 0.180 13.235 1.00 2.98 H new ATOM 0 HD12 LEU A 38 -4.898 -1.120 13.447 1.00 2.98 H new ATOM 0 HD13 LEU A 38 -3.287 -1.491 12.788 1.00 2.98 H new ATOM 0 HD21 LEU A 38 -3.110 0.983 10.955 1.00 3.36 H new ATOM 0 HD22 LEU A 38 -2.661 -0.675 10.491 1.00 3.36 H new ATOM 0 HD23 LEU A 38 -3.846 0.231 9.520 1.00 3.36 H new ATOM 588 N MET A 39 -7.848 -0.407 10.438 1.00 0.98 N ATOM 589 CA MET A 39 -9.075 -0.179 11.172 1.00 1.06 C ATOM 590 C MET A 39 -10.307 -0.185 10.239 1.00 1.03 C ATOM 591 O MET A 39 -11.195 0.657 10.339 1.00 2.15 O ATOM 592 CB MET A 39 -8.943 1.096 12.020 1.00 1.40 C ATOM 593 CG MET A 39 -8.667 2.347 11.180 1.00 2.47 C ATOM 594 SD MET A 39 -8.711 3.903 12.103 1.00 2.69 S ATOM 595 CE MET A 39 -8.376 5.066 10.762 1.00 4.78 C ATOM 0 H MET A 39 -7.320 0.443 10.242 1.00 0.98 H new ATOM 0 HA MET A 39 -9.243 -1.005 11.863 1.00 1.06 H new ATOM 0 HB2 MET A 39 -9.860 1.243 12.590 1.00 1.40 H new ATOM 0 HB3 MET A 39 -8.137 0.964 12.741 1.00 1.40 H new ATOM 0 HG2 MET A 39 -7.688 2.245 10.713 1.00 2.47 H new ATOM 0 HG3 MET A 39 -9.401 2.397 10.375 1.00 2.47 H new ATOM 0 HE1 MET A 39 -8.367 6.082 11.156 1.00 4.78 H new ATOM 0 HE2 MET A 39 -7.406 4.840 10.318 1.00 4.78 H new ATOM 0 HE3 MET A 39 -9.152 4.978 10.002 1.00 4.78 H new ATOM 605 N ALA A 40 -10.318 -1.135 9.307 1.00 1.29 N ATOM 606 CA ALA A 40 -11.219 -1.323 8.182 1.00 1.08 C ATOM 607 C ALA A 40 -10.782 -2.609 7.472 1.00 1.04 C ATOM 608 O ALA A 40 -11.610 -3.413 7.053 1.00 1.34 O ATOM 609 CB ALA A 40 -11.147 -0.127 7.225 1.00 1.06 C ATOM 0 H ALA A 40 -9.614 -1.873 9.329 1.00 1.29 H new ATOM 0 HA ALA A 40 -12.252 -1.399 8.522 1.00 1.08 H new ATOM 0 HB1 ALA A 40 -11.829 -0.288 6.390 1.00 1.06 H new ATOM 0 HB2 ALA A 40 -11.431 0.781 7.756 1.00 1.06 H new ATOM 0 HB3 ALA A 40 -10.130 -0.023 6.848 1.00 1.06 H new ATOM 615 N GLY A 41 -9.461 -2.793 7.351 1.00 0.87 N ATOM 616 CA GLY A 41 -8.807 -3.992 6.857 1.00 0.88 C ATOM 617 C GLY A 41 -8.455 -3.769 5.397 1.00 0.77 C ATOM 618 O GLY A 41 -8.846 -4.555 4.539 1.00 0.86 O ATOM 0 H GLY A 41 -8.793 -2.067 7.611 1.00 0.87 H new ATOM 0 HA2 GLY A 41 -7.909 -4.202 7.437 1.00 0.88 H new ATOM 0 HA3 GLY A 41 -9.464 -4.855 6.963 1.00 0.88 H new ATOM 622 N LYS A 42 -7.812 -2.634 5.112 1.00 0.67 N ATOM 623 CA LYS A 42 -7.745 -1.990 3.815 1.00 0.68 C ATOM 624 C LYS A 42 -6.454 -1.184 3.735 1.00 0.63 C ATOM 625 O LYS A 42 -5.643 -1.198 4.663 1.00 0.87 O ATOM 626 CB LYS A 42 -8.977 -1.089 3.616 1.00 0.94 C ATOM 627 CG LYS A 42 -10.255 -1.920 3.703 1.00 1.68 C ATOM 628 CD LYS A 42 -11.442 -1.227 3.023 1.00 1.97 C ATOM 629 CE LYS A 42 -12.679 -2.136 3.045 1.00 3.45 C ATOM 630 NZ LYS A 42 -12.563 -3.274 2.107 1.00 4.84 N ATOM 0 H LYS A 42 -7.298 -2.118 5.826 1.00 0.67 H new ATOM 0 HA LYS A 42 -7.746 -2.736 3.021 1.00 0.68 H new ATOM 0 HB2 LYS A 42 -8.991 -0.306 4.374 1.00 0.94 H new ATOM 0 HB3 LYS A 42 -8.922 -0.593 2.647 1.00 0.94 H new ATOM 0 HG2 LYS A 42 -10.088 -2.891 3.237 1.00 1.68 H new ATOM 0 HG3 LYS A 42 -10.495 -2.106 4.750 1.00 1.68 H new ATOM 0 HD2 LYS A 42 -11.663 -0.289 3.532 1.00 1.97 H new ATOM 0 HD3 LYS A 42 -11.184 -0.978 1.994 1.00 1.97 H new ATOM 0 HE2 LYS A 42 -12.828 -2.516 4.056 1.00 3.45 H new ATOM 0 HE3 LYS A 42 -13.562 -1.549 2.791 1.00 3.45 H new ATOM 0 HZ1 LYS A 42 -13.416 -3.866 2.172 1.00 4.84 H new ATOM 0 HZ2 LYS A 42 -12.464 -2.915 1.136 1.00 4.84 H new ATOM 0 HZ3 LYS A 42 -11.727 -3.842 2.352 1.00 4.84 H new ATOM 644 N ALA A 43 -6.253 -0.535 2.591 1.00 1.04 N ATOM 645 CA ALA A 43 -5.033 0.138 2.218 1.00 0.94 C ATOM 646 C ALA A 43 -5.395 1.295 1.277 1.00 0.88 C ATOM 647 O ALA A 43 -6.181 1.089 0.356 1.00 0.94 O ATOM 648 CB ALA A 43 -4.170 -0.938 1.553 1.00 1.17 C ATOM 0 H ALA A 43 -6.975 -0.467 1.873 1.00 1.04 H new ATOM 0 HA ALA A 43 -4.485 0.577 3.052 1.00 0.94 H new ATOM 0 HB1 ALA A 43 -3.221 -0.502 1.240 1.00 1.17 H new ATOM 0 HB2 ALA A 43 -3.983 -1.744 2.263 1.00 1.17 H new ATOM 0 HB3 ALA A 43 -4.691 -1.335 0.682 1.00 1.17 H new ATOM 654 N GLU A 44 -4.877 2.510 1.512 1.00 0.85 N ATOM 655 CA GLU A 44 -5.230 3.698 0.733 1.00 0.87 C ATOM 656 C GLU A 44 -4.005 4.544 0.381 1.00 0.92 C ATOM 657 O GLU A 44 -3.483 5.272 1.223 1.00 1.46 O ATOM 658 CB GLU A 44 -6.277 4.533 1.475 1.00 1.00 C ATOM 659 CG GLU A 44 -6.276 4.408 3.006 1.00 1.41 C ATOM 660 CD GLU A 44 -7.357 5.304 3.592 1.00 1.79 C ATOM 661 OE1 GLU A 44 -7.077 6.511 3.747 1.00 2.51 O ATOM 662 OE2 GLU A 44 -8.473 4.781 3.810 1.00 2.77 O ATOM 0 H GLU A 44 -4.199 2.693 2.252 1.00 0.85 H new ATOM 0 HA GLU A 44 -5.659 3.355 -0.209 1.00 0.87 H new ATOM 0 HB2 GLU A 44 -6.127 5.581 1.216 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -7.264 4.252 1.108 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -6.451 3.372 3.296 1.00 1.41 H new ATOM 0 HG3 GLU A 44 -5.301 4.690 3.403 1.00 1.41 H new ATOM 669 N VAL A 45 -3.532 4.460 -0.861 1.00 0.68 N ATOM 670 CA VAL A 45 -2.348 5.148 -1.289 1.00 0.67 C ATOM 671 C VAL A 45 -2.713 6.593 -1.648 1.00 0.66 C ATOM 672 O VAL A 45 -3.805 6.846 -2.161 1.00 0.89 O ATOM 673 CB VAL A 45 -1.773 4.348 -2.471 1.00 0.87 C ATOM 674 CG1 VAL A 45 -2.651 4.328 -3.728 1.00 1.65 C ATOM 675 CG2 VAL A 45 -0.400 4.893 -2.786 1.00 1.60 C ATOM 0 H VAL A 45 -3.974 3.904 -1.593 1.00 0.68 H new ATOM 0 HA VAL A 45 -1.586 5.211 -0.512 1.00 0.67 H new ATOM 0 HB VAL A 45 -1.728 3.305 -2.158 1.00 0.87 H new ATOM 0 HG11 VAL A 45 -2.161 3.740 -4.504 1.00 1.65 H new ATOM 0 HG12 VAL A 45 -3.617 3.882 -3.490 1.00 1.65 H new ATOM 0 HG13 VAL A 45 -2.800 5.347 -4.084 1.00 1.65 H new ATOM 0 HG21 VAL A 45 0.028 4.340 -3.622 1.00 1.60 H new ATOM 0 HG22 VAL A 45 -0.479 5.947 -3.051 1.00 1.60 H new ATOM 0 HG23 VAL A 45 0.243 4.785 -1.913 1.00 1.60 H new ATOM 685 N ARG A 46 -1.790 7.534 -1.413 1.00 0.56 N ATOM 686 CA ARG A 46 -1.780 8.843 -2.060 1.00 0.59 C ATOM 687 C ARG A 46 -0.426 8.954 -2.753 1.00 0.61 C ATOM 688 O ARG A 46 0.593 8.733 -2.106 1.00 0.62 O ATOM 689 CB ARG A 46 -1.984 9.960 -1.033 1.00 0.62 C ATOM 690 CG ARG A 46 -2.096 11.343 -1.684 1.00 0.95 C ATOM 691 CD ARG A 46 -2.408 12.425 -0.642 1.00 1.28 C ATOM 692 NE ARG A 46 -1.346 12.505 0.374 1.00 2.85 N ATOM 693 CZ ARG A 46 -1.362 13.248 1.491 1.00 3.78 C ATOM 694 NH1 ARG A 46 -2.378 14.080 1.736 1.00 3.48 N ATOM 695 NH2 ARG A 46 -0.346 13.133 2.347 1.00 5.67 N ATOM 0 H ARG A 46 -1.020 7.401 -0.758 1.00 0.56 H new ATOM 0 HA ARG A 46 -2.594 8.945 -2.778 1.00 0.59 H new ATOM 0 HB2 ARG A 46 -2.887 9.759 -0.457 1.00 0.62 H new ATOM 0 HB3 ARG A 46 -1.151 9.959 -0.330 1.00 0.62 H new ATOM 0 HG2 ARG A 46 -1.163 11.584 -2.194 1.00 0.95 H new ATOM 0 HG3 ARG A 46 -2.879 11.328 -2.442 1.00 0.95 H new ATOM 0 HD2 ARG A 46 -2.516 13.390 -1.137 1.00 1.28 H new ATOM 0 HD3 ARG A 46 -3.361 12.206 -0.160 1.00 1.28 H new ATOM 0 HE ARG A 46 -0.514 11.938 0.212 1.00 2.85 H new ATOM 0 HH11 ARG A 46 -3.149 14.154 1.072 1.00 3.48 H new ATOM 0 HH12 ARG A 46 -2.383 14.642 2.587 1.00 3.48 H new ATOM 0 HH21 ARG A 46 0.420 12.491 2.146 1.00 5.67 H new ATOM 0 HH22 ARG A 46 -0.335 13.687 3.203 1.00 5.67 H new ATOM 709 N TYR A 47 -0.405 9.188 -4.064 1.00 0.66 N ATOM 710 CA TYR A 47 0.786 8.987 -4.876 1.00 0.71 C ATOM 711 C TYR A 47 0.692 9.763 -6.185 1.00 0.69 C ATOM 712 O TYR A 47 -0.360 10.320 -6.492 1.00 0.66 O ATOM 713 CB TYR A 47 0.970 7.487 -5.155 1.00 0.73 C ATOM 714 CG TYR A 47 -0.118 6.869 -6.024 1.00 0.69 C ATOM 715 CD1 TYR A 47 -1.472 6.900 -5.631 1.00 2.05 C ATOM 716 CD2 TYR A 47 0.215 6.343 -7.283 1.00 1.81 C ATOM 717 CE1 TYR A 47 -2.480 6.536 -6.535 1.00 2.12 C ATOM 718 CE2 TYR A 47 -0.792 5.876 -8.141 1.00 1.92 C ATOM 719 CZ TYR A 47 -2.143 6.027 -7.793 1.00 1.12 C ATOM 720 OH TYR A 47 -3.134 5.731 -8.678 1.00 1.55 O ATOM 0 H TYR A 47 -1.213 9.522 -4.589 1.00 0.66 H new ATOM 0 HA TYR A 47 1.651 9.361 -4.328 1.00 0.71 H new ATOM 0 HB2 TYR A 47 1.934 7.336 -5.640 1.00 0.73 H new ATOM 0 HB3 TYR A 47 1.004 6.955 -4.204 1.00 0.73 H new ATOM 0 HD1 TYR A 47 -1.734 7.206 -4.629 1.00 2.05 H new ATOM 0 HD2 TYR A 47 1.249 6.298 -7.591 1.00 1.81 H new ATOM 0 HE1 TYR A 47 -3.518 6.649 -6.259 1.00 2.12 H new ATOM 0 HE2 TYR A 47 -0.526 5.399 -9.073 1.00 1.92 H new ATOM 0 HH TYR A 47 -2.756 5.657 -9.579 1.00 1.55 H new ATOM 730 N ASN A 48 1.758 9.750 -6.988 1.00 0.72 N ATOM 731 CA ASN A 48 1.727 10.206 -8.377 1.00 0.71 C ATOM 732 C ASN A 48 1.888 8.994 -9.312 1.00 0.66 C ATOM 733 O ASN A 48 2.921 8.327 -9.290 1.00 0.80 O ATOM 734 CB ASN A 48 2.774 11.305 -8.628 1.00 0.98 C ATOM 735 CG ASN A 48 4.129 11.040 -7.980 1.00 1.60 C ATOM 736 OD1 ASN A 48 4.483 9.899 -7.728 1.00 3.19 O ATOM 737 ND2 ASN A 48 4.870 12.094 -7.653 1.00 2.34 N ATOM 0 H ASN A 48 2.675 9.419 -6.688 1.00 0.72 H new ATOM 0 HA ASN A 48 0.763 10.666 -8.591 1.00 0.71 H new ATOM 0 HB2 ASN A 48 2.914 11.418 -9.703 1.00 0.98 H new ATOM 0 HB3 ASN A 48 2.385 12.253 -8.256 1.00 0.98 H new ATOM 0 HD21 ASN A 48 5.763 11.962 -7.177 1.00 2.34 H new ATOM 0 HD22 ASN A 48 4.546 13.035 -7.878 1.00 2.34 H new ATOM 744 N PRO A 49 0.904 8.673 -10.171 1.00 0.68 N ATOM 745 CA PRO A 49 0.897 7.430 -10.945 1.00 0.77 C ATOM 746 C PRO A 49 1.887 7.423 -12.122 1.00 1.04 C ATOM 747 O PRO A 49 1.698 6.664 -13.071 1.00 1.98 O ATOM 748 CB PRO A 49 -0.549 7.293 -11.438 1.00 0.83 C ATOM 749 CG PRO A 49 -1.001 8.743 -11.592 1.00 1.02 C ATOM 750 CD PRO A 49 -0.325 9.419 -10.400 1.00 1.00 C ATOM 0 HA PRO A 49 1.223 6.594 -10.327 1.00 0.77 H new ATOM 0 HB2 PRO A 49 -0.603 6.751 -12.382 1.00 0.83 H new ATOM 0 HB3 PRO A 49 -1.169 6.751 -10.724 1.00 0.83 H new ATOM 0 HG2 PRO A 49 -0.678 9.172 -12.541 1.00 1.02 H new ATOM 0 HG3 PRO A 49 -2.086 8.838 -11.553 1.00 1.02 H new ATOM 0 HD2 PRO A 49 -0.113 10.467 -10.612 1.00 1.00 H new ATOM 0 HD3 PRO A 49 -0.968 9.395 -9.520 1.00 1.00 H new ATOM 758 N ALA A 50 2.943 8.237 -12.066 1.00 0.84 N ATOM 759 CA ALA A 50 3.949 8.363 -13.109 1.00 0.96 C ATOM 760 C ALA A 50 5.246 7.746 -12.603 1.00 1.00 C ATOM 761 O ALA A 50 5.864 6.932 -13.280 1.00 1.17 O ATOM 762 CB ALA A 50 4.137 9.844 -13.453 1.00 1.03 C ATOM 0 H ALA A 50 3.122 8.844 -11.266 1.00 0.84 H new ATOM 0 HA ALA A 50 3.639 7.842 -14.014 1.00 0.96 H new ATOM 0 HB1 ALA A 50 4.890 9.943 -14.235 1.00 1.03 H new ATOM 0 HB2 ALA A 50 3.192 10.259 -13.805 1.00 1.03 H new ATOM 0 HB3 ALA A 50 4.462 10.385 -12.565 1.00 1.03 H new ATOM 768 N VAL A 51 5.645 8.140 -11.391 1.00 0.94 N ATOM 769 CA VAL A 51 6.846 7.678 -10.742 1.00 1.00 C ATOM 770 C VAL A 51 6.732 6.184 -10.438 1.00 1.07 C ATOM 771 O VAL A 51 7.657 5.428 -10.723 1.00 1.32 O ATOM 772 CB VAL A 51 7.018 8.512 -9.463 1.00 1.00 C ATOM 773 CG1 VAL A 51 8.220 8.032 -8.659 1.00 1.18 C ATOM 774 CG2 VAL A 51 7.197 10.005 -9.777 1.00 1.10 C ATOM 0 H VAL A 51 5.117 8.808 -10.829 1.00 0.94 H new ATOM 0 HA VAL A 51 7.721 7.803 -11.380 1.00 1.00 H new ATOM 0 HB VAL A 51 6.107 8.381 -8.879 1.00 1.00 H new ATOM 0 HG11 VAL A 51 8.321 8.638 -7.759 1.00 1.18 H new ATOM 0 HG12 VAL A 51 8.078 6.988 -8.380 1.00 1.18 H new ATOM 0 HG13 VAL A 51 9.123 8.126 -9.263 1.00 1.18 H new ATOM 0 HG21 VAL A 51 7.315 10.561 -8.847 1.00 1.10 H new ATOM 0 HG22 VAL A 51 8.083 10.143 -10.397 1.00 1.10 H new ATOM 0 HG23 VAL A 51 6.320 10.372 -10.310 1.00 1.10 H new ATOM 784 N ILE A 52 5.623 5.776 -9.809 1.00 0.97 N ATOM 785 CA ILE A 52 5.542 4.472 -9.164 1.00 1.09 C ATOM 786 C ILE A 52 4.755 3.458 -9.996 1.00 1.10 C ATOM 787 O ILE A 52 5.330 2.458 -10.398 1.00 1.47 O ATOM 788 CB ILE A 52 5.097 4.621 -7.708 1.00 1.19 C ATOM 789 CG1 ILE A 52 5.268 3.275 -7.002 1.00 1.37 C ATOM 790 CG2 ILE A 52 3.671 5.153 -7.509 1.00 1.17 C ATOM 791 CD1 ILE A 52 6.673 3.066 -6.425 1.00 1.75 C ATOM 0 H ILE A 52 4.773 6.334 -9.736 1.00 0.97 H new ATOM 0 HA ILE A 52 6.539 4.034 -9.118 1.00 1.09 H new ATOM 0 HB ILE A 52 5.736 5.387 -7.270 1.00 1.19 H new ATOM 0 HG12 ILE A 52 4.537 3.200 -6.197 1.00 1.37 H new ATOM 0 HG13 ILE A 52 5.049 2.473 -7.707 1.00 1.37 H new ATOM 0 HG21 ILE A 52 3.454 5.221 -6.443 1.00 1.17 H new ATOM 0 HG22 ILE A 52 3.585 6.141 -7.961 1.00 1.17 H new ATOM 0 HG23 ILE A 52 2.960 4.475 -7.981 1.00 1.17 H new ATOM 0 HD11 ILE A 52 6.725 2.092 -5.938 1.00 1.75 H new ATOM 0 HD12 ILE A 52 7.407 3.109 -7.230 1.00 1.75 H new ATOM 0 HD13 ILE A 52 6.887 3.848 -5.696 1.00 1.75 H new ATOM 803 N GLN A 53 3.463 3.731 -10.228 1.00 1.00 N ATOM 804 CA GLN A 53 2.477 3.002 -11.039 1.00 0.97 C ATOM 805 C GLN A 53 1.609 2.044 -10.188 1.00 0.88 C ATOM 806 O GLN A 53 2.154 1.207 -9.471 1.00 0.80 O ATOM 807 CB GLN A 53 3.057 2.310 -12.301 1.00 1.02 C ATOM 808 CG GLN A 53 2.863 3.129 -13.583 1.00 1.32 C ATOM 809 CD GLN A 53 1.411 3.078 -14.031 1.00 2.49 C ATOM 810 OE1 GLN A 53 0.914 2.028 -14.423 1.00 3.94 O ATOM 811 NE2 GLN A 53 0.688 4.184 -13.930 1.00 2.98 N ATOM 0 H GLN A 53 3.038 4.557 -9.807 1.00 1.00 H new ATOM 0 HA GLN A 53 1.818 3.777 -11.431 1.00 0.97 H new ATOM 0 HB2 GLN A 53 4.121 2.129 -12.151 1.00 1.02 H new ATOM 0 HB3 GLN A 53 2.582 1.337 -12.424 1.00 1.02 H new ATOM 0 HG2 GLN A 53 3.160 4.163 -13.410 1.00 1.32 H new ATOM 0 HG3 GLN A 53 3.507 2.740 -14.371 1.00 1.32 H new ATOM 0 HE21 GLN A 53 1.120 5.048 -13.602 1.00 2.98 H new ATOM 0 HE22 GLN A 53 -0.301 4.172 -14.181 1.00 2.98 H new ATOM 820 N PRO A 54 0.262 2.120 -10.267 1.00 0.95 N ATOM 821 CA PRO A 54 -0.680 1.204 -9.613 1.00 0.92 C ATOM 822 C PRO A 54 -0.349 -0.289 -9.699 1.00 0.80 C ATOM 823 O PRO A 54 -0.327 -0.937 -8.653 1.00 0.83 O ATOM 824 CB PRO A 54 -2.071 1.541 -10.149 1.00 1.04 C ATOM 825 CG PRO A 54 -1.901 3.041 -10.333 1.00 1.19 C ATOM 826 CD PRO A 54 -0.520 3.125 -10.970 1.00 1.09 C ATOM 0 HA PRO A 54 -0.614 1.368 -8.537 1.00 0.92 H new ATOM 0 HB2 PRO A 54 -2.298 1.026 -11.082 1.00 1.04 H new ATOM 0 HB3 PRO A 54 -2.865 1.291 -9.445 1.00 1.04 H new ATOM 0 HG2 PRO A 54 -2.673 3.464 -10.975 1.00 1.19 H new ATOM 0 HG3 PRO A 54 -1.947 3.577 -9.385 1.00 1.19 H new ATOM 0 HD2 PRO A 54 -0.562 2.920 -12.040 1.00 1.09 H new ATOM 0 HD3 PRO A 54 -0.088 4.119 -10.853 1.00 1.09 H new ATOM 834 N PRO A 55 -0.088 -0.868 -10.886 1.00 0.74 N ATOM 835 CA PRO A 55 0.365 -2.239 -10.965 1.00 0.71 C ATOM 836 C PRO A 55 1.575 -2.446 -10.060 1.00 0.71 C ATOM 837 O PRO A 55 1.615 -3.410 -9.304 1.00 0.83 O ATOM 838 CB PRO A 55 0.715 -2.500 -12.430 1.00 0.77 C ATOM 839 CG PRO A 55 0.685 -1.162 -13.137 1.00 0.80 C ATOM 840 CD PRO A 55 -0.111 -0.269 -12.210 1.00 0.81 C ATOM 0 HA PRO A 55 -0.404 -2.935 -10.629 1.00 0.71 H new ATOM 0 HB2 PRO A 55 1.700 -2.959 -12.515 1.00 0.77 H new ATOM 0 HB3 PRO A 55 0.001 -3.190 -12.880 1.00 0.77 H new ATOM 0 HG2 PRO A 55 1.691 -0.774 -13.297 1.00 0.80 H new ATOM 0 HG3 PRO A 55 0.214 -1.240 -14.117 1.00 0.80 H new ATOM 0 HD2 PRO A 55 0.318 0.733 -12.183 1.00 0.81 H new ATOM 0 HD3 PRO A 55 -1.136 -0.167 -12.565 1.00 0.81 H new ATOM 848 N MET A 56 2.550 -1.534 -10.119 1.00 0.72 N ATOM 849 CA MET A 56 3.765 -1.708 -9.340 1.00 0.77 C ATOM 850 C MET A 56 3.467 -1.665 -7.840 1.00 0.81 C ATOM 851 O MET A 56 3.924 -2.550 -7.122 1.00 0.90 O ATOM 852 CB MET A 56 4.863 -0.733 -9.767 1.00 0.91 C ATOM 853 CG MET A 56 5.185 -0.904 -11.260 1.00 1.09 C ATOM 854 SD MET A 56 6.723 -0.157 -11.866 1.00 1.29 S ATOM 855 CE MET A 56 7.957 -1.176 -11.030 1.00 2.63 C ATOM 0 H MET A 56 2.519 -0.687 -10.687 1.00 0.72 H new ATOM 0 HA MET A 56 4.161 -2.702 -9.549 1.00 0.77 H new ATOM 0 HB2 MET A 56 4.544 0.291 -9.573 1.00 0.91 H new ATOM 0 HB3 MET A 56 5.761 -0.905 -9.173 1.00 0.91 H new ATOM 0 HG2 MET A 56 5.219 -1.971 -11.478 1.00 1.09 H new ATOM 0 HG3 MET A 56 4.358 -0.487 -11.834 1.00 1.09 H new ATOM 0 HE1 MET A 56 8.942 -0.971 -11.448 1.00 2.63 H new ATOM 0 HE2 MET A 56 7.959 -0.944 -9.965 1.00 2.63 H new ATOM 0 HE3 MET A 56 7.715 -2.229 -11.171 1.00 2.63 H new ATOM 865 N ILE A 57 2.676 -0.703 -7.343 1.00 0.84 N ATOM 866 CA ILE A 57 2.335 -0.737 -5.923 1.00 1.01 C ATOM 867 C ILE A 57 1.594 -2.032 -5.568 1.00 0.98 C ATOM 868 O ILE A 57 1.996 -2.718 -4.627 1.00 1.21 O ATOM 869 CB ILE A 57 1.615 0.540 -5.449 1.00 1.20 C ATOM 870 CG1 ILE A 57 0.430 0.959 -6.313 1.00 2.17 C ATOM 871 CG2 ILE A 57 2.622 1.689 -5.372 1.00 2.10 C ATOM 872 CD1 ILE A 57 -0.363 2.134 -5.734 1.00 2.43 C ATOM 0 H ILE A 57 2.279 0.071 -7.876 1.00 0.84 H new ATOM 0 HA ILE A 57 3.268 -0.747 -5.360 1.00 1.01 H new ATOM 0 HB ILE A 57 1.200 0.306 -4.469 1.00 1.20 H new ATOM 0 HG12 ILE A 57 0.791 1.229 -7.305 1.00 2.17 H new ATOM 0 HG13 ILE A 57 -0.238 0.107 -6.438 1.00 2.17 H new ATOM 0 HG21 ILE A 57 2.116 2.594 -5.037 1.00 2.10 H new ATOM 0 HG22 ILE A 57 3.413 1.433 -4.667 1.00 2.10 H new ATOM 0 HG23 ILE A 57 3.056 1.859 -6.357 1.00 2.10 H new ATOM 0 HD11 ILE A 57 -1.190 2.378 -6.400 1.00 2.43 H new ATOM 0 HD12 ILE A 57 -0.754 1.861 -4.754 1.00 2.43 H new ATOM 0 HD13 ILE A 57 0.291 3.001 -5.635 1.00 2.43 H new ATOM 884 N ALA A 58 0.549 -2.387 -6.329 1.00 0.82 N ATOM 885 CA ALA A 58 -0.200 -3.623 -6.139 1.00 0.92 C ATOM 886 C ALA A 58 0.742 -4.819 -6.004 1.00 0.95 C ATOM 887 O ALA A 58 0.618 -5.610 -5.071 1.00 1.15 O ATOM 888 CB ALA A 58 -1.197 -3.822 -7.283 1.00 0.96 C ATOM 0 H ALA A 58 0.202 -1.815 -7.099 1.00 0.82 H new ATOM 0 HA ALA A 58 -0.764 -3.547 -5.209 1.00 0.92 H new ATOM 0 HB1 ALA A 58 -1.749 -4.749 -7.127 1.00 0.96 H new ATOM 0 HB2 ALA A 58 -1.894 -2.984 -7.308 1.00 0.96 H new ATOM 0 HB3 ALA A 58 -0.659 -3.875 -8.230 1.00 0.96 H new ATOM 894 N GLU A 59 1.689 -4.938 -6.931 1.00 0.84 N ATOM 895 CA GLU A 59 2.683 -5.972 -6.941 1.00 0.88 C ATOM 896 C GLU A 59 3.581 -5.925 -5.711 1.00 0.94 C ATOM 897 O GLU A 59 3.661 -6.922 -5.006 1.00 1.05 O ATOM 898 CB GLU A 59 3.505 -5.807 -8.203 1.00 0.90 C ATOM 899 CG GLU A 59 2.830 -6.395 -9.457 1.00 1.12 C ATOM 900 CD GLU A 59 2.604 -7.904 -9.395 1.00 1.94 C ATOM 901 OE1 GLU A 59 1.535 -8.300 -8.875 1.00 2.69 O ATOM 902 OE2 GLU A 59 3.474 -8.638 -9.903 1.00 3.09 O ATOM 0 H GLU A 59 1.776 -4.290 -7.714 1.00 0.84 H new ATOM 0 HA GLU A 59 2.188 -6.943 -6.920 1.00 0.88 H new ATOM 0 HB2 GLU A 59 3.696 -4.746 -8.367 1.00 0.90 H new ATOM 0 HB3 GLU A 59 4.473 -6.288 -8.062 1.00 0.90 H new ATOM 0 HG2 GLU A 59 1.870 -5.901 -9.605 1.00 1.12 H new ATOM 0 HG3 GLU A 59 3.444 -6.166 -10.328 1.00 1.12 H new ATOM 909 N PHE A 60 4.256 -4.803 -5.450 1.00 0.97 N ATOM 910 CA PHE A 60 5.224 -4.691 -4.371 1.00 1.12 C ATOM 911 C PHE A 60 4.631 -5.264 -3.082 1.00 1.18 C ATOM 912 O PHE A 60 5.229 -6.118 -2.426 1.00 1.45 O ATOM 913 CB PHE A 60 5.612 -3.217 -4.195 1.00 1.23 C ATOM 914 CG PHE A 60 6.522 -2.585 -5.238 1.00 1.49 C ATOM 915 CD1 PHE A 60 6.868 -3.239 -6.439 1.00 2.88 C ATOM 916 CD2 PHE A 60 7.087 -1.328 -4.954 1.00 2.16 C ATOM 917 CE1 PHE A 60 7.773 -2.643 -7.334 1.00 3.45 C ATOM 918 CE2 PHE A 60 8.011 -0.744 -5.836 1.00 2.65 C ATOM 919 CZ PHE A 60 8.353 -1.399 -7.031 1.00 2.86 C ATOM 0 H PHE A 60 4.141 -3.944 -5.988 1.00 0.97 H new ATOM 0 HA PHE A 60 6.121 -5.262 -4.612 1.00 1.12 H new ATOM 0 HB2 PHE A 60 4.693 -2.633 -4.157 1.00 1.23 H new ATOM 0 HB3 PHE A 60 6.096 -3.113 -3.224 1.00 1.23 H new ATOM 0 HD1 PHE A 60 6.436 -4.201 -6.672 1.00 2.88 H new ATOM 0 HD2 PHE A 60 6.808 -0.808 -4.050 1.00 2.16 H new ATOM 0 HE1 PHE A 60 8.024 -3.143 -8.258 1.00 3.45 H new ATOM 0 HE2 PHE A 60 8.459 0.209 -5.596 1.00 2.65 H new ATOM 0 HZ PHE A 60 9.058 -0.949 -7.714 1.00 2.86 H new ATOM 929 N ILE A 61 3.416 -4.818 -2.752 1.00 0.98 N ATOM 930 CA ILE A 61 2.664 -5.316 -1.607 1.00 1.05 C ATOM 931 C ILE A 61 2.560 -6.850 -1.609 1.00 1.11 C ATOM 932 O ILE A 61 2.707 -7.468 -0.556 1.00 1.33 O ATOM 933 CB ILE A 61 1.270 -4.676 -1.582 1.00 0.98 C ATOM 934 CG1 ILE A 61 1.343 -3.140 -1.592 1.00 0.99 C ATOM 935 CG2 ILE A 61 0.513 -5.106 -0.318 1.00 1.08 C ATOM 936 CD1 ILE A 61 0.066 -2.567 -2.214 1.00 1.39 C ATOM 0 H ILE A 61 2.926 -4.095 -3.279 1.00 0.98 H new ATOM 0 HA ILE A 61 3.204 -5.036 -0.703 1.00 1.05 H new ATOM 0 HB ILE A 61 0.751 -5.014 -2.479 1.00 0.98 H new ATOM 0 HG12 ILE A 61 1.464 -2.765 -0.576 1.00 0.99 H new ATOM 0 HG13 ILE A 61 2.214 -2.811 -2.159 1.00 0.99 H new ATOM 0 HG21 ILE A 61 -0.475 -4.646 -0.311 1.00 1.08 H new ATOM 0 HG22 ILE A 61 0.408 -6.191 -0.308 1.00 1.08 H new ATOM 0 HG23 ILE A 61 1.068 -4.787 0.564 1.00 1.08 H new ATOM 0 HD11 ILE A 61 0.121 -1.478 -2.220 1.00 1.39 H new ATOM 0 HD12 ILE A 61 -0.035 -2.931 -3.237 1.00 1.39 H new ATOM 0 HD13 ILE A 61 -0.797 -2.884 -1.629 1.00 1.39 H new ATOM 948 N ARG A 62 2.289 -7.467 -2.764 1.00 0.98 N ATOM 949 CA ARG A 62 2.259 -8.918 -2.898 1.00 1.02 C ATOM 950 C ARG A 62 3.659 -9.480 -2.663 1.00 1.05 C ATOM 951 O ARG A 62 3.844 -10.277 -1.747 1.00 1.04 O ATOM 952 CB ARG A 62 1.710 -9.351 -4.270 1.00 0.98 C ATOM 953 CG ARG A 62 0.264 -8.892 -4.501 1.00 0.95 C ATOM 954 CD ARG A 62 -0.087 -8.978 -5.994 1.00 0.99 C ATOM 955 NE ARG A 62 -1.394 -8.373 -6.305 1.00 2.09 N ATOM 956 CZ ARG A 62 -1.836 -8.081 -7.540 1.00 2.91 C ATOM 957 NH1 ARG A 62 -1.058 -8.214 -8.616 1.00 2.67 N ATOM 958 NH2 ARG A 62 -3.092 -7.653 -7.685 1.00 4.37 N ATOM 0 H ARG A 62 2.085 -6.969 -3.630 1.00 0.98 H new ATOM 0 HA ARG A 62 1.581 -9.322 -2.146 1.00 1.02 H new ATOM 0 HB2 ARG A 62 2.346 -8.944 -5.056 1.00 0.98 H new ATOM 0 HB3 ARG A 62 1.759 -10.437 -4.350 1.00 0.98 H new ATOM 0 HG2 ARG A 62 -0.420 -9.514 -3.923 1.00 0.95 H new ATOM 0 HG3 ARG A 62 0.139 -7.868 -4.149 1.00 0.95 H new ATOM 0 HD2 ARG A 62 0.688 -8.478 -6.575 1.00 0.99 H new ATOM 0 HD3 ARG A 62 -0.092 -10.023 -6.303 1.00 0.99 H new ATOM 0 HE ARG A 62 -2.011 -8.159 -5.522 1.00 2.09 H new ATOM 0 HH11 ARG A 62 -0.099 -8.545 -8.514 1.00 2.67 H new ATOM 0 HH12 ARG A 62 -1.423 -7.984 -9.540 1.00 2.67 H new ATOM 0 HH21 ARG A 62 -3.694 -7.554 -6.868 1.00 4.37 H new ATOM 0 HH22 ARG A 62 -3.449 -7.425 -8.613 1.00 4.37 H new ATOM 972 N GLU A 63 4.634 -9.058 -3.475 1.00 1.15 N ATOM 973 CA GLU A 63 5.992 -9.558 -3.497 1.00 1.25 C ATOM 974 C GLU A 63 6.566 -9.713 -2.090 1.00 1.22 C ATOM 975 O GLU A 63 7.030 -10.795 -1.731 1.00 1.50 O ATOM 976 CB GLU A 63 6.838 -8.594 -4.331 1.00 1.36 C ATOM 977 CG GLU A 63 6.531 -8.650 -5.823 1.00 1.53 C ATOM 978 CD GLU A 63 7.383 -7.640 -6.579 1.00 1.96 C ATOM 979 OE1 GLU A 63 8.593 -7.920 -6.721 1.00 2.94 O ATOM 980 OE2 GLU A 63 6.818 -6.596 -6.964 1.00 2.30 O ATOM 0 H GLU A 63 4.479 -8.322 -4.164 1.00 1.15 H new ATOM 0 HA GLU A 63 6.003 -10.553 -3.942 1.00 1.25 H new ATOM 0 HB2 GLU A 63 6.676 -7.577 -3.973 1.00 1.36 H new ATOM 0 HB3 GLU A 63 7.893 -8.822 -4.176 1.00 1.36 H new ATOM 0 HG2 GLU A 63 6.723 -9.654 -6.203 1.00 1.53 H new ATOM 0 HG3 GLU A 63 5.474 -8.442 -5.991 1.00 1.53 H new ATOM 987 N LEU A 64 6.540 -8.643 -1.290 1.00 0.99 N ATOM 988 CA LEU A 64 7.050 -8.692 0.068 1.00 1.08 C ATOM 989 C LEU A 64 6.042 -9.220 1.096 1.00 1.05 C ATOM 990 O LEU A 64 6.438 -9.449 2.237 1.00 1.11 O ATOM 991 CB LEU A 64 7.757 -7.395 0.474 1.00 1.33 C ATOM 992 CG LEU A 64 7.047 -6.065 0.215 1.00 1.28 C ATOM 993 CD1 LEU A 64 5.625 -6.034 0.778 1.00 2.60 C ATOM 994 CD2 LEU A 64 7.894 -4.970 0.865 1.00 2.12 C ATOM 0 H LEU A 64 6.169 -7.734 -1.567 1.00 0.99 H new ATOM 0 HA LEU A 64 7.829 -9.455 0.068 1.00 1.08 H new ATOM 0 HB2 LEU A 64 7.971 -7.454 1.541 1.00 1.33 H new ATOM 0 HB3 LEU A 64 8.716 -7.365 -0.042 1.00 1.33 H new ATOM 0 HG LEU A 64 6.948 -5.916 -0.860 1.00 1.28 H new ATOM 0 HD11 LEU A 64 5.170 -5.067 0.565 1.00 2.60 H new ATOM 0 HD12 LEU A 64 5.033 -6.823 0.315 1.00 2.60 H new ATOM 0 HD13 LEU A 64 5.657 -6.190 1.856 1.00 2.60 H new ATOM 0 HD21 LEU A 64 7.422 -4.001 0.704 1.00 2.12 H new ATOM 0 HD22 LEU A 64 7.976 -5.160 1.935 1.00 2.12 H new ATOM 0 HD23 LEU A 64 8.889 -4.967 0.420 1.00 2.12 H new ATOM 1006 N GLY A 65 4.748 -9.331 0.765 1.00 1.22 N ATOM 1007 CA GLY A 65 3.727 -9.515 1.785 1.00 1.70 C ATOM 1008 C GLY A 65 2.460 -10.250 1.341 1.00 1.25 C ATOM 1009 O GLY A 65 2.323 -11.448 1.581 1.00 1.44 O ATOM 0 H GLY A 65 4.394 -9.296 -0.191 1.00 1.22 H new ATOM 0 HA2 GLY A 65 4.168 -10.063 2.618 1.00 1.70 H new ATOM 0 HA3 GLY A 65 3.440 -8.534 2.165 1.00 1.70 H new ATOM 1013 N PHE A 66 1.475 -9.505 0.829 1.00 1.31 N ATOM 1014 CA PHE A 66 0.061 -9.834 1.003 1.00 1.57 C ATOM 1015 C PHE A 66 -0.738 -9.672 -0.275 1.00 1.56 C ATOM 1016 O PHE A 66 -0.494 -8.778 -1.080 1.00 2.15 O ATOM 1017 CB PHE A 66 -0.550 -8.958 2.106 1.00 2.03 C ATOM 1018 CG PHE A 66 0.181 -9.074 3.426 1.00 2.02 C ATOM 1019 CD1 PHE A 66 0.054 -10.259 4.175 1.00 3.26 C ATOM 1020 CD2 PHE A 66 1.236 -8.188 3.702 1.00 1.98 C ATOM 1021 CE1 PHE A 66 1.023 -10.595 5.133 1.00 3.58 C ATOM 1022 CE2 PHE A 66 2.259 -8.578 4.581 1.00 2.31 C ATOM 1023 CZ PHE A 66 2.157 -9.783 5.294 1.00 2.78 C ATOM 0 H PHE A 66 1.638 -8.659 0.283 1.00 1.31 H new ATOM 0 HA PHE A 66 0.012 -10.885 1.287 1.00 1.57 H new ATOM 0 HB2 PHE A 66 -0.541 -7.917 1.782 1.00 2.03 H new ATOM 0 HB3 PHE A 66 -1.594 -9.239 2.249 1.00 2.03 H new ATOM 0 HD1 PHE A 66 -0.791 -10.911 4.012 1.00 3.26 H new ATOM 0 HD2 PHE A 66 1.260 -7.212 3.240 1.00 1.98 H new ATOM 0 HE1 PHE A 66 0.897 -11.476 5.745 1.00 3.58 H new ATOM 0 HE2 PHE A 66 3.127 -7.949 4.709 1.00 2.31 H new ATOM 0 HZ PHE A 66 2.948 -10.084 5.964 1.00 2.78 H new ATOM 1033 N GLY A 67 -1.748 -10.530 -0.410 1.00 1.56 N ATOM 1034 CA GLY A 67 -2.671 -10.523 -1.517 1.00 1.49 C ATOM 1035 C GLY A 67 -3.363 -9.171 -1.579 1.00 1.31 C ATOM 1036 O GLY A 67 -4.167 -8.849 -0.703 1.00 1.54 O ATOM 0 H GLY A 67 -1.942 -11.264 0.271 1.00 1.56 H new ATOM 0 HA2 GLY A 67 -2.141 -10.717 -2.450 1.00 1.49 H new ATOM 0 HA3 GLY A 67 -3.408 -11.317 -1.397 1.00 1.49 H new ATOM 1040 N ALA A 68 -2.991 -8.390 -2.591 1.00 1.21 N ATOM 1041 CA ALA A 68 -3.387 -7.009 -2.805 1.00 1.04 C ATOM 1042 C ALA A 68 -4.189 -6.915 -4.098 1.00 1.01 C ATOM 1043 O ALA A 68 -3.736 -7.420 -5.128 1.00 1.22 O ATOM 1044 CB ALA A 68 -2.132 -6.140 -2.898 1.00 1.13 C ATOM 0 H ALA A 68 -2.368 -8.729 -3.324 1.00 1.21 H new ATOM 0 HA ALA A 68 -4.004 -6.660 -1.977 1.00 1.04 H new ATOM 0 HB1 ALA A 68 -2.420 -5.101 -3.059 1.00 1.13 H new ATOM 0 HB2 ALA A 68 -1.565 -6.220 -1.971 1.00 1.13 H new ATOM 0 HB3 ALA A 68 -1.516 -6.479 -3.731 1.00 1.13 H new ATOM 1050 N THR A 69 -5.360 -6.274 -4.055 1.00 0.91 N ATOM 1051 CA THR A 69 -6.207 -6.002 -5.211 1.00 0.97 C ATOM 1052 C THR A 69 -6.539 -4.511 -5.210 1.00 0.86 C ATOM 1053 O THR A 69 -6.960 -3.993 -4.180 1.00 0.88 O ATOM 1054 CB THR A 69 -7.477 -6.858 -5.120 1.00 1.17 C ATOM 1055 OG1 THR A 69 -7.110 -8.214 -4.975 1.00 2.24 O ATOM 1056 CG2 THR A 69 -8.346 -6.726 -6.374 1.00 2.96 C ATOM 0 H THR A 69 -5.754 -5.920 -3.184 1.00 0.91 H new ATOM 0 HA THR A 69 -5.700 -6.255 -6.142 1.00 0.97 H new ATOM 0 HB THR A 69 -8.052 -6.509 -4.263 1.00 1.17 H new ATOM 0 HG1 THR A 69 -7.917 -8.767 -4.914 1.00 2.24 H new ATOM 0 HG21 THR A 69 -9.235 -7.348 -6.268 1.00 2.96 H new ATOM 0 HG22 THR A 69 -8.645 -5.686 -6.502 1.00 2.96 H new ATOM 0 HG23 THR A 69 -7.778 -7.050 -7.246 1.00 2.96 H new ATOM 1064 N VAL A 70 -6.335 -3.825 -6.339 1.00 0.78 N ATOM 1065 CA VAL A 70 -6.522 -2.382 -6.456 1.00 0.71 C ATOM 1066 C VAL A 70 -8.006 -2.070 -6.687 1.00 0.84 C ATOM 1067 O VAL A 70 -8.685 -2.820 -7.388 1.00 0.86 O ATOM 1068 CB VAL A 70 -5.602 -1.832 -7.564 1.00 0.69 C ATOM 1069 CG1 VAL A 70 -5.955 -2.348 -8.967 1.00 1.84 C ATOM 1070 CG2 VAL A 70 -5.606 -0.301 -7.574 1.00 2.24 C ATOM 0 H VAL A 70 -6.031 -4.266 -7.207 1.00 0.78 H new ATOM 0 HA VAL A 70 -6.238 -1.880 -5.531 1.00 0.71 H new ATOM 0 HB VAL A 70 -4.605 -2.201 -7.322 1.00 0.69 H new ATOM 0 HG11 VAL A 70 -5.267 -1.920 -9.696 1.00 1.84 H new ATOM 0 HG12 VAL A 70 -5.874 -3.435 -8.986 1.00 1.84 H new ATOM 0 HG13 VAL A 70 -6.975 -2.056 -9.216 1.00 1.84 H new ATOM 0 HG21 VAL A 70 -4.949 0.059 -8.365 1.00 2.24 H new ATOM 0 HG22 VAL A 70 -6.619 0.059 -7.752 1.00 2.24 H new ATOM 0 HG23 VAL A 70 -5.253 0.070 -6.612 1.00 2.24 H new ATOM 1080 N ILE A 71 -8.520 -1.006 -6.062 1.00 0.99 N ATOM 1081 CA ILE A 71 -9.921 -0.607 -6.092 1.00 1.17 C ATOM 1082 C ILE A 71 -9.990 0.924 -6.121 1.00 1.29 C ATOM 1083 O ILE A 71 -9.218 1.596 -5.441 1.00 1.95 O ATOM 1084 CB ILE A 71 -10.650 -1.156 -4.845 1.00 1.30 C ATOM 1085 CG1 ILE A 71 -10.472 -2.682 -4.730 1.00 1.56 C ATOM 1086 CG2 ILE A 71 -12.142 -0.783 -4.877 1.00 2.04 C ATOM 1087 CD1 ILE A 71 -11.190 -3.285 -3.523 1.00 1.79 C ATOM 0 H ILE A 71 -7.945 -0.378 -5.501 1.00 0.99 H new ATOM 0 HA ILE A 71 -10.409 -1.012 -6.979 1.00 1.17 H new ATOM 0 HB ILE A 71 -10.202 -0.696 -3.964 1.00 1.30 H new ATOM 0 HG12 ILE A 71 -10.845 -3.154 -5.639 1.00 1.56 H new ATOM 0 HG13 ILE A 71 -9.409 -2.913 -4.664 1.00 1.56 H new ATOM 0 HG21 ILE A 71 -12.635 -1.180 -3.990 1.00 2.04 H new ATOM 0 HG22 ILE A 71 -12.246 0.302 -4.895 1.00 2.04 H new ATOM 0 HG23 ILE A 71 -12.604 -1.207 -5.769 1.00 2.04 H new ATOM 0 HD11 ILE A 71 -11.024 -4.362 -3.502 1.00 1.79 H new ATOM 0 HD12 ILE A 71 -10.800 -2.839 -2.608 1.00 1.79 H new ATOM 0 HD13 ILE A 71 -12.259 -3.084 -3.598 1.00 1.79 H new ATOM 1099 N GLU A 72 -10.952 1.478 -6.856 1.00 1.44 N ATOM 1100 CA GLU A 72 -11.339 2.874 -6.769 1.00 1.46 C ATOM 1101 C GLU A 72 -12.773 2.974 -7.283 1.00 1.70 C ATOM 1102 O GLU A 72 -13.248 2.055 -7.948 1.00 2.35 O ATOM 1103 CB GLU A 72 -10.346 3.772 -7.518 1.00 1.77 C ATOM 1104 CG GLU A 72 -10.001 3.278 -8.930 1.00 2.37 C ATOM 1105 CD GLU A 72 -8.952 4.176 -9.571 1.00 3.16 C ATOM 1106 OE1 GLU A 72 -7.885 4.324 -8.936 1.00 3.52 O ATOM 1107 OE2 GLU A 72 -9.237 4.699 -10.669 1.00 4.12 O ATOM 0 H GLU A 72 -11.493 0.952 -7.542 1.00 1.44 H new ATOM 0 HA GLU A 72 -11.310 3.235 -5.741 1.00 1.46 H new ATOM 0 HB2 GLU A 72 -10.762 4.777 -7.587 1.00 1.77 H new ATOM 0 HB3 GLU A 72 -9.428 3.846 -6.935 1.00 1.77 H new ATOM 0 HG2 GLU A 72 -9.631 2.254 -8.882 1.00 2.37 H new ATOM 0 HG3 GLU A 72 -10.900 3.263 -9.546 1.00 2.37 H new ATOM 1114 N ASN A 73 -13.480 4.043 -6.911 1.00 2.20 N ATOM 1115 CA ASN A 73 -14.878 4.267 -7.253 1.00 2.69 C ATOM 1116 C ASN A 73 -15.072 5.776 -7.327 1.00 4.00 C ATOM 1117 O ASN A 73 -14.368 6.506 -6.631 1.00 4.93 O ATOM 1118 CB ASN A 73 -15.811 3.689 -6.177 1.00 3.47 C ATOM 1119 CG ASN A 73 -15.779 2.165 -6.101 1.00 3.73 C ATOM 1120 OD1 ASN A 73 -16.528 1.486 -6.794 1.00 4.38 O ATOM 1121 ND2 ASN A 73 -14.936 1.610 -5.233 1.00 4.57 N ATOM 0 H ASN A 73 -13.081 4.795 -6.348 1.00 2.20 H new ATOM 0 HA ASN A 73 -15.118 3.777 -8.196 1.00 2.69 H new ATOM 0 HB2 ASN A 73 -15.532 4.100 -5.207 1.00 3.47 H new ATOM 0 HB3 ASN A 73 -16.832 4.014 -6.379 1.00 3.47 H new ATOM 0 HD21 ASN A 73 -14.902 0.596 -5.132 1.00 4.57 H new ATOM 0 HD22 ASN A 73 -14.324 2.199 -4.669 1.00 4.57 H new ATOM 1128 N ILE A 74 -16.017 6.228 -8.153 1.00 4.71 N ATOM 1129 CA ILE A 74 -16.423 7.619 -8.295 1.00 6.36 C ATOM 1130 C ILE A 74 -17.950 7.582 -8.387 1.00 6.72 C ATOM 1131 O ILE A 74 -18.477 6.659 -9.006 1.00 6.54 O ATOM 1132 CB ILE A 74 -15.794 8.227 -9.568 1.00 7.56 C ATOM 1133 CG1 ILE A 74 -14.252 8.230 -9.549 1.00 8.04 C ATOM 1134 CG2 ILE A 74 -16.317 9.644 -9.844 1.00 8.89 C ATOM 1135 CD1 ILE A 74 -13.629 9.170 -8.510 1.00 8.84 C ATOM 0 H ILE A 74 -16.541 5.604 -8.766 1.00 4.71 H new ATOM 0 HA ILE A 74 -16.093 8.239 -7.462 1.00 6.36 H new ATOM 0 HB ILE A 74 -16.106 7.570 -10.380 1.00 7.56 H new ATOM 0 HG12 ILE A 74 -13.902 7.216 -9.358 1.00 8.04 H new ATOM 0 HG13 ILE A 74 -13.890 8.511 -10.538 1.00 8.04 H new ATOM 0 HG21 ILE A 74 -15.849 10.035 -10.748 1.00 8.89 H new ATOM 0 HG22 ILE A 74 -17.398 9.613 -9.979 1.00 8.89 H new ATOM 0 HG23 ILE A 74 -16.075 10.292 -9.001 1.00 8.89 H new ATOM 0 HD11 ILE A 74 -12.542 9.107 -8.568 1.00 8.84 H new ATOM 0 HD12 ILE A 74 -13.945 10.194 -8.710 1.00 8.84 H new ATOM 0 HD13 ILE A 74 -13.957 8.878 -7.512 1.00 8.84 H new ATOM 1147 N GLU A 75 -18.619 8.548 -7.747 1.00 7.71 N ATOM 1148 CA GLU A 75 -20.054 8.815 -7.701 1.00 8.55 C ATOM 1149 C GLU A 75 -20.926 7.788 -8.437 1.00 8.59 C ATOM 1150 O GLU A 75 -21.441 8.057 -9.522 1.00 9.63 O ATOM 1151 CB GLU A 75 -20.325 10.248 -8.194 1.00 10.00 C ATOM 1152 CG GLU A 75 -19.762 11.342 -7.267 1.00 10.91 C ATOM 1153 CD GLU A 75 -18.258 11.541 -7.401 1.00 11.56 C ATOM 1154 OE1 GLU A 75 -17.527 10.770 -6.739 1.00 11.71 O ATOM 1155 OE2 GLU A 75 -17.865 12.436 -8.178 1.00 12.31 O ATOM 0 H GLU A 75 -18.109 9.233 -7.190 1.00 7.71 H new ATOM 0 HA GLU A 75 -20.354 8.716 -6.658 1.00 8.55 H new ATOM 0 HB2 GLU A 75 -19.892 10.368 -9.187 1.00 10.00 H new ATOM 0 HB3 GLU A 75 -21.401 10.390 -8.296 1.00 10.00 H new ATOM 0 HG2 GLU A 75 -20.265 12.284 -7.484 1.00 10.91 H new ATOM 0 HG3 GLU A 75 -19.995 11.086 -6.233 1.00 10.91 H new ATOM 1162 N GLY A 76 -21.138 6.629 -7.810 1.00 8.08 N ATOM 1163 CA GLY A 76 -22.000 5.575 -8.309 1.00 8.61 C ATOM 1164 C GLY A 76 -22.150 4.532 -7.207 1.00 8.76 C ATOM 1165 O GLY A 76 -21.270 4.420 -6.352 1.00 8.78 O ATOM 0 H GLY A 76 -20.700 6.399 -6.918 1.00 8.08 H new ATOM 0 HA2 GLY A 76 -22.974 5.978 -8.588 1.00 8.61 H new ATOM 0 HA3 GLY A 76 -21.573 5.125 -9.205 1.00 8.61 H new ATOM 1169 N ARG A 77 -23.267 3.806 -7.203 1.00 9.42 N ATOM 1170 CA ARG A 77 -23.622 2.770 -6.255 1.00 10.15 C ATOM 1171 C ARG A 77 -24.889 2.130 -6.823 1.00 10.93 C ATOM 1172 O ARG A 77 -25.467 2.772 -7.731 1.00 11.43 O ATOM 1173 CB ARG A 77 -23.845 3.376 -4.859 1.00 10.88 C ATOM 1174 CG ARG A 77 -24.384 2.336 -3.872 1.00 12.05 C ATOM 1175 CD ARG A 77 -24.221 2.810 -2.423 1.00 13.28 C ATOM 1176 NE ARG A 77 -24.860 1.880 -1.476 1.00 14.32 N ATOM 1177 CZ ARG A 77 -24.398 0.661 -1.153 1.00 14.99 C ATOM 1178 NH1 ARG A 77 -23.254 0.216 -1.684 1.00 14.94 N ATOM 1179 NH2 ARG A 77 -25.083 -0.109 -0.298 1.00 16.02 N ATOM 1180 OXT ARG A 77 -25.243 1.026 -6.355 1.00 11.34 O ATOM 0 H ARG A 77 -23.989 3.940 -7.910 1.00 9.42 H new ATOM 0 HA ARG A 77 -22.836 2.025 -6.127 1.00 10.15 H new ATOM 0 HB2 ARG A 77 -22.906 3.782 -4.484 1.00 10.88 H new ATOM 0 HB3 ARG A 77 -24.546 4.208 -4.931 1.00 10.88 H new ATOM 0 HG2 ARG A 77 -25.437 2.146 -4.079 1.00 12.05 H new ATOM 0 HG3 ARG A 77 -23.857 1.392 -4.010 1.00 12.05 H new ATOM 0 HD2 ARG A 77 -23.161 2.901 -2.186 1.00 13.28 H new ATOM 0 HD3 ARG A 77 -24.659 3.802 -2.312 1.00 13.28 H new ATOM 0 HE ARG A 77 -25.724 2.187 -1.029 1.00 14.32 H new ATOM 0 HH11 ARG A 77 -22.732 0.803 -2.335 1.00 14.94 H new ATOM 0 HH12 ARG A 77 -22.904 -0.710 -1.438 1.00 14.94 H new ATOM 0 HH21 ARG A 77 -25.955 0.230 0.108 1.00 16.02 H new ATOM 0 HH22 ARG A 77 -24.733 -1.035 -0.052 1.00 16.02 H new TER 1194 ARG A 77 HETATM 1195 CU CU A 78 2.903 -8.940 12.383 1.00 5.12 CU