USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 604 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 3 SER OG : rot 77:sc= 2.32 USER MOD Set 1.2: A 47 TYR OH : rot 79:sc= 0.543 USER MOD Set 2.1: A 20 ASN : amide:sc= 0.647 K(o=1.3,f=-1.3) USER MOD Set 2.2: A 24 ASN : amide:sc= 0.623 K(o=1.3,f=-0.77) USER MOD Set 3.1: A 1 ASN N :NH3+ -109:sc= 1.76 (180deg=-0.114) USER MOD Set 3.2: A 2 SER OG : rot 175:sc= 1.69 USER MOD Set 4.1: A 1 ASN : amide:sc= -0.468 K(o=-1.3,f=-5.8!) USER MOD Set 4.2: A 48 ASN : amide:sc= -0.868 K(o=-1.3,f=-6!) USER MOD Single : A 4 LYS NZ :NH3+ -148:sc= 0.156 (180deg=-0.821!) USER MOD Single : A 5 CYS SG : rot -42:sc= -1.12 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00155 USER MOD Single : A 12 MET CE :methyl 160:sc= -1.98 (180deg=-2.91) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.116 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.0122 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 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 42 LYS NZ :NH3+ -154:sc=-0.00316 (180deg=-0.95) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.038) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -13.958 0.110 10.944 1.00 4.83 N ATOM 2 CA ASN A 1 -14.423 -1.285 10.793 1.00 3.21 C ATOM 3 C ASN A 1 -13.385 -2.008 9.936 1.00 2.34 C ATOM 4 O ASN A 1 -12.679 -2.879 10.432 1.00 3.67 O ATOM 5 CB ASN A 1 -15.865 -1.364 10.252 1.00 2.91 C ATOM 6 CG ASN A 1 -16.084 -0.452 9.048 1.00 4.00 C ATOM 7 OD1 ASN A 1 -15.859 0.750 9.149 1.00 5.26 O ATOM 8 ND2 ASN A 1 -16.420 -1.002 7.890 1.00 4.24 N ATOM 0 H1 ASN A 1 -13.640 0.266 11.922 1.00 4.83 H new ATOM 0 H2 ASN A 1 -13.168 0.285 10.291 1.00 4.83 H new ATOM 0 H3 ASN A 1 -14.739 0.762 10.726 1.00 4.83 H new ATOM 0 HA ASN A 1 -14.493 -1.785 11.759 1.00 3.21 H new ATOM 0 HB2 ASN A 1 -16.089 -2.393 9.971 1.00 2.91 H new ATOM 0 HB3 ASN A 1 -16.563 -1.091 11.043 1.00 2.91 H new ATOM 0 HD21 ASN A 1 -16.497 -0.423 7.054 1.00 4.24 H new ATOM 0 HD22 ASN A 1 -16.601 -2.004 7.835 1.00 4.24 H new ATOM 17 N SER A 2 -13.202 -1.493 8.718 1.00 1.33 N ATOM 18 CA SER A 2 -11.924 -1.271 8.059 1.00 0.99 C ATOM 19 C SER A 2 -10.703 -1.979 8.669 1.00 1.07 C ATOM 20 O SER A 2 -10.131 -1.528 9.665 1.00 2.11 O ATOM 21 CB SER A 2 -11.728 0.251 7.940 1.00 1.61 C ATOM 22 OG SER A 2 -12.539 0.971 8.869 1.00 2.18 O ATOM 0 H SER A 2 -13.989 -1.205 8.137 1.00 1.33 H new ATOM 0 HA SER A 2 -11.979 -1.747 7.080 1.00 0.99 H new ATOM 0 HB2 SER A 2 -10.679 0.495 8.109 1.00 1.61 H new ATOM 0 HB3 SER A 2 -11.970 0.569 6.926 1.00 1.61 H new ATOM 0 HG SER A 2 -12.330 1.927 8.813 1.00 2.18 H new ATOM 28 N SER A 3 -10.289 -3.067 8.020 1.00 0.59 N ATOM 29 CA SER A 3 -9.170 -3.927 8.357 1.00 0.55 C ATOM 30 C SER A 3 -7.853 -3.342 7.817 1.00 0.49 C ATOM 31 O SER A 3 -7.863 -2.367 7.063 1.00 0.50 O ATOM 32 CB SER A 3 -9.489 -5.293 7.727 1.00 0.77 C ATOM 33 OG SER A 3 -10.229 -5.106 6.533 1.00 1.83 O ATOM 0 H SER A 3 -10.770 -3.389 7.180 1.00 0.59 H new ATOM 0 HA SER A 3 -9.037 -4.019 9.435 1.00 0.55 H new ATOM 0 HB2 SER A 3 -8.565 -5.831 7.513 1.00 0.77 H new ATOM 0 HB3 SER A 3 -10.059 -5.904 8.428 1.00 0.77 H new ATOM 0 HG SER A 3 -9.626 -4.817 5.816 1.00 1.83 H new ATOM 39 N LYS A 4 -6.709 -3.920 8.216 1.00 0.56 N ATOM 40 CA LYS A 4 -5.378 -3.509 7.761 1.00 0.63 C ATOM 41 C LYS A 4 -4.739 -4.581 6.892 1.00 0.66 C ATOM 42 O LYS A 4 -4.420 -5.653 7.389 1.00 1.33 O ATOM 43 CB LYS A 4 -4.458 -3.093 8.920 1.00 1.08 C ATOM 44 CG LYS A 4 -4.565 -4.032 10.128 1.00 1.51 C ATOM 45 CD LYS A 4 -3.402 -3.920 11.131 1.00 1.76 C ATOM 46 CE LYS A 4 -2.120 -4.640 10.667 1.00 3.12 C ATOM 47 NZ LYS A 4 -1.125 -3.744 10.042 1.00 3.75 N ATOM 0 H LYS A 4 -6.686 -4.698 8.875 1.00 0.56 H new ATOM 0 HA LYS A 4 -5.516 -2.619 7.147 1.00 0.63 H new ATOM 0 HB2 LYS A 4 -3.426 -3.074 8.570 1.00 1.08 H new ATOM 0 HB3 LYS A 4 -4.708 -2.078 9.231 1.00 1.08 H new ATOM 0 HG2 LYS A 4 -5.499 -3.826 10.650 1.00 1.51 H new ATOM 0 HG3 LYS A 4 -4.620 -5.060 9.769 1.00 1.51 H new ATOM 0 HD2 LYS A 4 -3.177 -2.867 11.299 1.00 1.76 H new ATOM 0 HD3 LYS A 4 -3.717 -4.335 12.088 1.00 1.76 H new ATOM 0 HE2 LYS A 4 -1.662 -5.135 11.524 1.00 3.12 H new ATOM 0 HE3 LYS A 4 -2.390 -5.420 9.955 1.00 3.12 H new ATOM 0 HZ1 LYS A 4 -0.599 -4.265 9.312 1.00 3.75 H new ATOM 0 HZ2 LYS A 4 -1.612 -2.935 9.606 1.00 3.75 H new ATOM 0 HZ3 LYS A 4 -0.463 -3.401 10.767 1.00 3.75 H new ATOM 61 N CYS A 5 -4.547 -4.300 5.602 1.00 0.57 N ATOM 62 CA CYS A 5 -3.980 -5.280 4.688 1.00 0.74 C ATOM 63 C CYS A 5 -2.467 -5.199 4.803 1.00 0.62 C ATOM 64 O CYS A 5 -1.911 -4.123 5.043 1.00 0.62 O ATOM 65 CB CYS A 5 -4.474 -5.099 3.248 1.00 1.26 C ATOM 66 SG CYS A 5 -3.727 -3.669 2.459 1.00 1.74 S ATOM 0 H CYS A 5 -4.776 -3.404 5.172 1.00 0.57 H new ATOM 0 HA CYS A 5 -4.316 -6.279 4.966 1.00 0.74 H new ATOM 0 HB2 CYS A 5 -4.244 -5.994 2.670 1.00 1.26 H new ATOM 0 HB3 CYS A 5 -5.558 -4.989 3.247 1.00 1.26 H new ATOM 0 HG CYS A 5 -3.703 -2.675 3.296 1.00 1.74 H new ATOM 72 N TYR A 6 -1.807 -6.351 4.702 1.00 0.63 N ATOM 73 CA TYR A 6 -0.361 -6.410 4.728 1.00 0.60 C ATOM 74 C TYR A 6 0.079 -6.393 3.275 1.00 0.53 C ATOM 75 O TYR A 6 -0.353 -7.245 2.508 1.00 0.68 O ATOM 76 CB TYR A 6 0.106 -7.670 5.471 1.00 0.87 C ATOM 77 CG TYR A 6 0.824 -7.359 6.767 1.00 0.84 C ATOM 78 CD1 TYR A 6 2.141 -6.867 6.725 1.00 2.23 C ATOM 79 CD2 TYR A 6 0.162 -7.484 8.003 1.00 1.71 C ATOM 80 CE1 TYR A 6 2.809 -6.534 7.915 1.00 2.42 C ATOM 81 CE2 TYR A 6 0.837 -7.167 9.195 1.00 2.03 C ATOM 82 CZ TYR A 6 2.161 -6.701 9.151 1.00 1.67 C ATOM 83 OH TYR A 6 2.799 -6.384 10.312 1.00 2.21 O ATOM 0 H TYR A 6 -2.262 -7.258 4.601 1.00 0.63 H new ATOM 0 HA TYR A 6 0.081 -5.571 5.264 1.00 0.60 H new ATOM 0 HB2 TYR A 6 -0.757 -8.302 5.682 1.00 0.87 H new ATOM 0 HB3 TYR A 6 0.769 -8.243 4.823 1.00 0.87 H new ATOM 0 HD1 TYR A 6 2.640 -6.745 5.775 1.00 2.23 H new ATOM 0 HD2 TYR A 6 -0.863 -7.823 8.036 1.00 1.71 H new ATOM 0 HE1 TYR A 6 3.818 -6.151 7.880 1.00 2.42 H new ATOM 0 HE2 TYR A 6 0.337 -7.282 10.145 1.00 2.03 H new ATOM 0 HH TYR A 6 2.204 -6.560 11.071 1.00 2.21 H new ATOM 93 N ILE A 7 0.898 -5.421 2.879 1.00 0.43 N ATOM 94 CA ILE A 7 1.476 -5.384 1.544 1.00 0.43 C ATOM 95 C ILE A 7 2.989 -5.444 1.714 1.00 0.50 C ATOM 96 O ILE A 7 3.532 -5.016 2.736 1.00 0.50 O ATOM 97 CB ILE A 7 0.979 -4.167 0.725 1.00 0.40 C ATOM 98 CG1 ILE A 7 -0.537 -3.990 0.917 1.00 0.58 C ATOM 99 CG2 ILE A 7 1.266 -4.334 -0.779 1.00 0.44 C ATOM 100 CD1 ILE A 7 -1.185 -3.056 -0.112 1.00 0.90 C ATOM 0 H ILE A 7 1.177 -4.641 3.474 1.00 0.43 H new ATOM 0 HA ILE A 7 1.150 -6.239 0.951 1.00 0.43 H new ATOM 0 HB ILE A 7 1.517 -3.291 1.088 1.00 0.40 H new ATOM 0 HG12 ILE A 7 -1.018 -4.967 0.861 1.00 0.58 H new ATOM 0 HG13 ILE A 7 -0.724 -3.599 1.917 1.00 0.58 H new ATOM 0 HG21 ILE A 7 0.902 -3.459 -1.318 1.00 0.44 H new ATOM 0 HG22 ILE A 7 2.340 -4.436 -0.935 1.00 0.44 H new ATOM 0 HG23 ILE A 7 0.759 -5.225 -1.149 1.00 0.44 H new ATOM 0 HD11 ILE A 7 -2.254 -2.981 0.087 1.00 0.90 H new ATOM 0 HD12 ILE A 7 -0.732 -2.067 -0.042 1.00 0.90 H new ATOM 0 HD13 ILE A 7 -1.030 -3.455 -1.114 1.00 0.90 H new ATOM 112 N GLN A 8 3.676 -6.012 0.729 1.00 0.66 N ATOM 113 CA GLN A 8 5.117 -6.001 0.664 1.00 0.76 C ATOM 114 C GLN A 8 5.504 -5.663 -0.772 1.00 0.76 C ATOM 115 O GLN A 8 4.754 -5.957 -1.705 1.00 0.66 O ATOM 116 CB GLN A 8 5.640 -7.354 1.160 1.00 0.80 C ATOM 117 CG GLN A 8 7.160 -7.353 1.329 1.00 1.90 C ATOM 118 CD GLN A 8 7.628 -8.566 2.126 1.00 1.78 C ATOM 119 OE1 GLN A 8 8.157 -8.435 3.225 1.00 2.23 O ATOM 120 NE2 GLN A 8 7.413 -9.765 1.594 1.00 2.67 N ATOM 0 H GLN A 8 3.234 -6.497 -0.052 1.00 0.66 H new ATOM 0 HA GLN A 8 5.572 -5.249 1.309 1.00 0.76 H new ATOM 0 HB2 GLN A 8 5.169 -7.598 2.113 1.00 0.80 H new ATOM 0 HB3 GLN A 8 5.354 -8.134 0.454 1.00 0.80 H new ATOM 0 HG2 GLN A 8 7.637 -7.352 0.349 1.00 1.90 H new ATOM 0 HG3 GLN A 8 7.471 -6.440 1.836 1.00 1.90 H new ATOM 0 HE21 GLN A 8 6.971 -9.845 0.678 1.00 2.67 H new ATOM 0 HE22 GLN A 8 7.690 -10.605 2.102 1.00 2.67 H new ATOM 129 N VAL A 9 6.656 -5.009 -0.923 1.00 0.92 N ATOM 130 CA VAL A 9 7.273 -4.639 -2.190 1.00 0.93 C ATOM 131 C VAL A 9 8.780 -4.732 -1.956 1.00 0.96 C ATOM 132 O VAL A 9 9.215 -4.794 -0.805 1.00 1.04 O ATOM 133 CB VAL A 9 6.890 -3.207 -2.622 1.00 1.22 C ATOM 134 CG1 VAL A 9 5.534 -3.106 -3.318 1.00 2.43 C ATOM 135 CG2 VAL A 9 6.918 -2.235 -1.446 1.00 1.80 C ATOM 0 H VAL A 9 7.210 -4.709 -0.121 1.00 0.92 H new ATOM 0 HA VAL A 9 6.934 -5.298 -2.989 1.00 0.93 H new ATOM 0 HB VAL A 9 7.652 -2.932 -3.351 1.00 1.22 H new ATOM 0 HG11 VAL A 9 5.341 -2.068 -3.589 1.00 2.43 H new ATOM 0 HG12 VAL A 9 5.540 -3.721 -4.218 1.00 2.43 H new ATOM 0 HG13 VAL A 9 4.752 -3.457 -2.644 1.00 2.43 H new ATOM 0 HG21 VAL A 9 6.643 -1.238 -1.791 1.00 1.80 H new ATOM 0 HG22 VAL A 9 6.210 -2.564 -0.685 1.00 1.80 H new ATOM 0 HG23 VAL A 9 7.921 -2.207 -1.021 1.00 1.80 H new ATOM 145 N THR A 10 9.572 -4.735 -3.029 1.00 1.18 N ATOM 146 CA THR A 10 11.015 -4.888 -2.966 1.00 1.38 C ATOM 147 C THR A 10 11.697 -3.608 -3.458 1.00 1.46 C ATOM 148 O THR A 10 11.778 -3.355 -4.656 1.00 1.68 O ATOM 149 CB THR A 10 11.409 -6.147 -3.753 1.00 1.54 C ATOM 150 OG1 THR A 10 10.643 -6.257 -4.940 1.00 2.01 O ATOM 151 CG2 THR A 10 11.141 -7.396 -2.903 1.00 1.80 C ATOM 0 H THR A 10 9.217 -4.629 -3.979 1.00 1.18 H new ATOM 0 HA THR A 10 11.356 -5.030 -1.941 1.00 1.38 H new ATOM 0 HB THR A 10 12.467 -6.069 -4.002 1.00 1.54 H new ATOM 0 HG1 THR A 10 10.910 -7.064 -5.428 1.00 2.01 H new ATOM 0 HG21 THR A 10 11.422 -8.286 -3.466 1.00 1.80 H new ATOM 0 HG22 THR A 10 11.729 -7.345 -1.986 1.00 1.80 H new ATOM 0 HG23 THR A 10 10.081 -7.445 -2.652 1.00 1.80 H new ATOM 159 N GLY A 11 12.177 -2.799 -2.507 1.00 1.46 N ATOM 160 CA GLY A 11 12.981 -1.606 -2.747 1.00 1.55 C ATOM 161 C GLY A 11 12.393 -0.372 -2.077 1.00 1.61 C ATOM 162 O GLY A 11 12.777 0.756 -2.375 1.00 2.15 O ATOM 0 H GLY A 11 12.008 -2.967 -1.515 1.00 1.46 H new ATOM 0 HA2 GLY A 11 13.993 -1.771 -2.377 1.00 1.55 H new ATOM 0 HA3 GLY A 11 13.059 -1.432 -3.820 1.00 1.55 H new ATOM 166 N MET A 12 11.492 -0.580 -1.118 1.00 1.41 N ATOM 167 CA MET A 12 10.769 0.513 -0.495 1.00 1.66 C ATOM 168 C MET A 12 11.697 1.449 0.278 1.00 2.22 C ATOM 169 O MET A 12 11.391 2.620 0.478 1.00 3.08 O ATOM 170 CB MET A 12 9.634 -0.033 0.363 1.00 2.01 C ATOM 171 CG MET A 12 10.054 -0.648 1.702 1.00 2.41 C ATOM 172 SD MET A 12 8.675 -0.928 2.837 1.00 4.20 S ATOM 173 CE MET A 12 7.580 -1.865 1.757 1.00 5.49 C ATOM 0 H MET A 12 11.249 -1.503 -0.758 1.00 1.41 H new ATOM 0 HA MET A 12 10.326 1.126 -1.280 1.00 1.66 H new ATOM 0 HB2 MET A 12 8.930 0.775 0.560 1.00 2.01 H new ATOM 0 HB3 MET A 12 9.099 -0.789 -0.212 1.00 2.01 H new ATOM 0 HG2 MET A 12 10.557 -1.597 1.514 1.00 2.41 H new ATOM 0 HG3 MET A 12 10.780 0.008 2.181 1.00 2.41 H new ATOM 0 HE1 MET A 12 6.861 -2.420 2.360 1.00 5.49 H new ATOM 0 HE2 MET A 12 7.048 -1.181 1.096 1.00 5.49 H new ATOM 0 HE3 MET A 12 8.167 -2.563 1.160 1.00 5.49 H new ATOM 183 N THR A 13 12.844 0.909 0.700 1.00 2.41 N ATOM 184 CA THR A 13 13.898 1.649 1.370 1.00 3.49 C ATOM 185 C THR A 13 14.485 2.761 0.489 1.00 2.98 C ATOM 186 O THR A 13 15.221 3.605 0.994 1.00 3.99 O ATOM 187 CB THR A 13 14.963 0.668 1.881 1.00 4.54 C ATOM 188 OG1 THR A 13 15.608 0.012 0.807 1.00 5.07 O ATOM 189 CG2 THR A 13 14.351 -0.394 2.805 1.00 5.43 C ATOM 0 H THR A 13 13.063 -0.080 0.578 1.00 2.41 H new ATOM 0 HA THR A 13 13.471 2.167 2.228 1.00 3.49 H new ATOM 0 HB THR A 13 15.689 1.258 2.441 1.00 4.54 H new ATOM 0 HG1 THR A 13 16.283 -0.606 1.159 1.00 5.07 H new ATOM 0 HG21 THR A 13 15.133 -1.072 3.148 1.00 5.43 H new ATOM 0 HG22 THR A 13 13.890 0.093 3.664 1.00 5.43 H new ATOM 0 HG23 THR A 13 13.595 -0.959 2.260 1.00 5.43 H new ATOM 197 N CYS A 14 14.177 2.775 -0.816 1.00 1.75 N ATOM 198 CA CYS A 14 14.632 3.833 -1.703 1.00 1.42 C ATOM 199 C CYS A 14 14.183 5.212 -1.218 1.00 1.47 C ATOM 200 O CYS A 14 13.078 5.355 -0.690 1.00 2.30 O ATOM 201 CB CYS A 14 14.135 3.607 -3.136 1.00 1.40 C ATOM 202 SG CYS A 14 15.267 2.534 -4.045 1.00 2.03 S ATOM 0 H CYS A 14 13.612 2.059 -1.273 1.00 1.75 H new ATOM 0 HA CYS A 14 15.722 3.802 -1.695 1.00 1.42 H new ATOM 0 HB2 CYS A 14 13.141 3.160 -3.115 1.00 1.40 H new ATOM 0 HB3 CYS A 14 14.043 4.564 -3.649 1.00 1.40 H new ATOM 0 HG CYS A 14 14.821 2.358 -5.253 1.00 2.03 H new ATOM 208 N ALA A 15 15.047 6.208 -1.465 1.00 1.67 N ATOM 209 CA ALA A 15 15.005 7.607 -1.038 1.00 2.02 C ATOM 210 C ALA A 15 13.650 8.101 -0.529 1.00 1.94 C ATOM 211 O ALA A 15 13.552 8.623 0.581 1.00 3.36 O ATOM 212 CB ALA A 15 15.502 8.496 -2.184 1.00 2.57 C ATOM 0 H ALA A 15 15.878 6.030 -2.029 1.00 1.67 H new ATOM 0 HA ALA A 15 15.660 7.672 -0.169 1.00 2.02 H new ATOM 0 HB1 ALA A 15 15.473 9.540 -1.873 1.00 2.57 H new ATOM 0 HB2 ALA A 15 16.525 8.221 -2.440 1.00 2.57 H new ATOM 0 HB3 ALA A 15 14.861 8.359 -3.055 1.00 2.57 H new ATOM 218 N SER A 16 12.608 7.997 -1.354 1.00 1.08 N ATOM 219 CA SER A 16 11.254 8.354 -0.960 1.00 1.00 C ATOM 220 C SER A 16 10.261 7.483 -1.727 1.00 1.08 C ATOM 221 O SER A 16 9.298 7.993 -2.297 1.00 1.91 O ATOM 222 CB SER A 16 11.027 9.850 -1.214 1.00 1.47 C ATOM 223 OG SER A 16 12.044 10.625 -0.605 1.00 1.63 O ATOM 0 H SER A 16 12.684 7.662 -2.314 1.00 1.08 H new ATOM 0 HA SER A 16 11.103 8.173 0.104 1.00 1.00 H new ATOM 0 HB2 SER A 16 11.010 10.043 -2.287 1.00 1.47 H new ATOM 0 HB3 SER A 16 10.054 10.146 -0.822 1.00 1.47 H new ATOM 0 HG SER A 16 11.881 11.575 -0.781 1.00 1.63 H new ATOM 229 N CYS A 17 10.500 6.167 -1.766 1.00 1.00 N ATOM 230 CA CYS A 17 9.649 5.273 -2.542 1.00 1.22 C ATOM 231 C CYS A 17 8.303 5.157 -1.846 1.00 1.09 C ATOM 232 O CYS A 17 7.267 5.414 -2.461 1.00 1.18 O ATOM 233 CB CYS A 17 10.303 3.906 -2.743 1.00 1.54 C ATOM 234 SG CYS A 17 9.067 2.742 -3.379 1.00 2.64 S ATOM 0 H CYS A 17 11.266 5.707 -1.275 1.00 1.00 H new ATOM 0 HA CYS A 17 9.503 5.688 -3.539 1.00 1.22 H new ATOM 0 HB2 CYS A 17 11.136 3.987 -3.441 1.00 1.54 H new ATOM 0 HB3 CYS A 17 10.711 3.542 -1.800 1.00 1.54 H new ATOM 0 HG CYS A 17 9.617 1.577 -3.554 1.00 2.64 H new ATOM 240 N VAL A 18 8.330 4.823 -0.548 1.00 0.96 N ATOM 241 CA VAL A 18 7.110 4.735 0.225 1.00 0.79 C ATOM 242 C VAL A 18 6.312 6.026 0.102 1.00 0.60 C ATOM 243 O VAL A 18 5.201 5.978 -0.395 1.00 0.67 O ATOM 244 CB VAL A 18 7.350 4.273 1.673 1.00 0.83 C ATOM 245 CG1 VAL A 18 7.902 2.850 1.709 1.00 2.29 C ATOM 246 CG2 VAL A 18 8.219 5.154 2.571 1.00 2.68 C ATOM 0 H VAL A 18 9.181 4.613 -0.026 1.00 0.96 H new ATOM 0 HA VAL A 18 6.492 3.944 -0.199 1.00 0.79 H new ATOM 0 HB VAL A 18 6.350 4.345 2.100 1.00 0.83 H new ATOM 0 HG11 VAL A 18 8.063 2.548 2.744 1.00 2.29 H new ATOM 0 HG12 VAL A 18 7.190 2.171 1.239 1.00 2.29 H new ATOM 0 HG13 VAL A 18 8.848 2.813 1.169 1.00 2.29 H new ATOM 0 HG21 VAL A 18 8.298 4.701 3.559 1.00 2.68 H new ATOM 0 HG22 VAL A 18 9.214 5.249 2.135 1.00 2.68 H new ATOM 0 HG23 VAL A 18 7.766 6.142 2.660 1.00 2.68 H new ATOM 256 N ALA A 19 6.896 7.171 0.459 1.00 0.62 N ATOM 257 CA ALA A 19 6.263 8.490 0.486 1.00 0.60 C ATOM 258 C ALA A 19 5.249 8.722 -0.645 1.00 0.62 C ATOM 259 O ALA A 19 4.143 9.214 -0.410 1.00 0.66 O ATOM 260 CB ALA A 19 7.350 9.566 0.439 1.00 0.68 C ATOM 0 H ALA A 19 7.872 7.205 0.752 1.00 0.62 H new ATOM 0 HA ALA A 19 5.693 8.546 1.413 1.00 0.60 H new ATOM 0 HB1 ALA A 19 6.887 10.552 0.459 1.00 0.68 H new ATOM 0 HB2 ALA A 19 8.008 9.457 1.301 1.00 0.68 H new ATOM 0 HB3 ALA A 19 7.931 9.456 -0.477 1.00 0.68 H new ATOM 266 N ASN A 20 5.632 8.371 -1.877 1.00 0.67 N ATOM 267 CA ASN A 20 4.759 8.488 -3.039 1.00 0.78 C ATOM 268 C ASN A 20 3.506 7.638 -2.823 1.00 0.73 C ATOM 269 O ASN A 20 2.391 8.148 -2.701 1.00 0.74 O ATOM 270 CB ASN A 20 5.527 8.043 -4.294 1.00 0.98 C ATOM 271 CG ASN A 20 4.606 7.836 -5.496 1.00 1.34 C ATOM 272 OD1 ASN A 20 3.748 8.662 -5.787 1.00 1.53 O ATOM 273 ND2 ASN A 20 4.758 6.720 -6.203 1.00 1.96 N ATOM 0 H ASN A 20 6.557 7.998 -2.092 1.00 0.67 H new ATOM 0 HA ASN A 20 4.447 9.523 -3.175 1.00 0.78 H new ATOM 0 HB2 ASN A 20 6.280 8.792 -4.541 1.00 0.98 H new ATOM 0 HB3 ASN A 20 6.058 7.115 -4.082 1.00 0.98 H new ATOM 0 HD21 ASN A 20 4.154 6.538 -7.005 1.00 1.96 H new ATOM 0 HD22 ASN A 20 5.478 6.046 -5.944 1.00 1.96 H new ATOM 280 N ILE A 21 3.721 6.324 -2.755 1.00 0.73 N ATOM 281 CA ILE A 21 2.680 5.342 -2.524 1.00 0.75 C ATOM 282 C ILE A 21 1.888 5.717 -1.263 1.00 0.76 C ATOM 283 O ILE A 21 0.678 5.824 -1.350 1.00 0.74 O ATOM 284 CB ILE A 21 3.321 3.940 -2.484 1.00 0.81 C ATOM 285 CG1 ILE A 21 3.735 3.441 -3.885 1.00 0.84 C ATOM 286 CG2 ILE A 21 2.373 2.922 -1.866 1.00 0.88 C ATOM 287 CD1 ILE A 21 5.009 2.594 -3.811 1.00 1.91 C ATOM 0 H ILE A 21 4.647 5.911 -2.862 1.00 0.73 H new ATOM 0 HA ILE A 21 1.952 5.327 -3.335 1.00 0.75 H new ATOM 0 HB ILE A 21 4.217 4.036 -1.871 1.00 0.81 H new ATOM 0 HG12 ILE A 21 2.927 2.852 -4.319 1.00 0.84 H new ATOM 0 HG13 ILE A 21 3.898 4.293 -4.545 1.00 0.84 H new ATOM 0 HG21 ILE A 21 2.851 1.942 -1.851 1.00 0.88 H new ATOM 0 HG22 ILE A 21 2.130 3.223 -0.847 1.00 0.88 H new ATOM 0 HG23 ILE A 21 1.459 2.870 -2.457 1.00 0.88 H new ATOM 0 HD11 ILE A 21 5.279 2.255 -4.811 1.00 1.91 H new ATOM 0 HD12 ILE A 21 5.821 3.193 -3.399 1.00 1.91 H new ATOM 0 HD13 ILE A 21 4.835 1.730 -3.170 1.00 1.91 H new ATOM 299 N GLU A 22 2.521 5.956 -0.110 1.00 0.83 N ATOM 300 CA GLU A 22 1.887 6.468 1.095 1.00 0.83 C ATOM 301 C GLU A 22 0.850 7.541 0.779 1.00 0.84 C ATOM 302 O GLU A 22 -0.317 7.353 1.069 1.00 0.90 O ATOM 303 CB GLU A 22 2.927 7.072 2.041 1.00 0.83 C ATOM 304 CG GLU A 22 3.828 6.044 2.724 1.00 0.87 C ATOM 305 CD GLU A 22 4.861 6.725 3.620 1.00 0.99 C ATOM 306 OE1 GLU A 22 4.748 7.961 3.784 1.00 1.55 O ATOM 307 OE2 GLU A 22 5.751 6.007 4.117 1.00 2.13 O ATOM 0 H GLU A 22 3.521 5.791 0.007 1.00 0.83 H new ATOM 0 HA GLU A 22 1.392 5.620 1.569 1.00 0.83 H new ATOM 0 HB2 GLU A 22 3.550 7.768 1.480 1.00 0.83 H new ATOM 0 HB3 GLU A 22 2.411 7.652 2.807 1.00 0.83 H new ATOM 0 HG2 GLU A 22 3.220 5.362 3.318 1.00 0.87 H new ATOM 0 HG3 GLU A 22 4.336 5.443 1.970 1.00 0.87 H new ATOM 314 N ARG A 23 1.267 8.679 0.223 1.00 0.83 N ATOM 315 CA ARG A 23 0.405 9.816 -0.060 1.00 0.88 C ATOM 316 C ARG A 23 -0.743 9.418 -0.989 1.00 0.86 C ATOM 317 O ARG A 23 -1.890 9.794 -0.747 1.00 1.17 O ATOM 318 CB ARG A 23 1.210 10.977 -0.659 1.00 0.95 C ATOM 319 CG ARG A 23 0.554 12.314 -0.285 1.00 1.40 C ATOM 320 CD ARG A 23 1.009 13.432 -1.229 1.00 1.74 C ATOM 321 NE ARG A 23 0.714 14.759 -0.661 1.00 2.39 N ATOM 322 CZ ARG A 23 0.591 15.905 -1.353 1.00 3.19 C ATOM 323 NH1 ARG A 23 0.649 15.896 -2.689 1.00 3.84 N ATOM 324 NH2 ARG A 23 0.406 17.059 -0.700 1.00 4.21 N ATOM 0 H ARG A 23 2.238 8.835 -0.048 1.00 0.83 H new ATOM 0 HA ARG A 23 -0.026 10.151 0.884 1.00 0.88 H new ATOM 0 HB2 ARG A 23 2.235 10.949 -0.290 1.00 0.95 H new ATOM 0 HB3 ARG A 23 1.259 10.876 -1.743 1.00 0.95 H new ATOM 0 HG2 ARG A 23 -0.531 12.216 -0.328 1.00 1.40 H new ATOM 0 HG3 ARG A 23 0.810 12.574 0.742 1.00 1.40 H new ATOM 0 HD2 ARG A 23 2.079 13.342 -1.415 1.00 1.74 H new ATOM 0 HD3 ARG A 23 0.509 13.326 -2.191 1.00 1.74 H new ATOM 0 HE ARG A 23 0.592 14.813 0.350 1.00 2.39 H new ATOM 0 HH11 ARG A 23 0.787 15.017 -3.188 1.00 3.84 H new ATOM 0 HH12 ARG A 23 0.555 16.768 -3.209 1.00 3.84 H new ATOM 0 HH21 ARG A 23 0.359 17.067 0.319 1.00 4.21 H new ATOM 0 HH22 ARG A 23 0.312 17.931 -1.221 1.00 4.21 H new ATOM 338 N ASN A 24 -0.425 8.670 -2.049 1.00 0.66 N ATOM 339 CA ASN A 24 -1.405 8.174 -3.012 1.00 0.71 C ATOM 340 C ASN A 24 -2.469 7.377 -2.257 1.00 0.74 C ATOM 341 O ASN A 24 -3.658 7.696 -2.271 1.00 0.82 O ATOM 342 CB ASN A 24 -0.697 7.305 -4.067 1.00 0.75 C ATOM 343 CG ASN A 24 0.322 8.087 -4.890 1.00 1.89 C ATOM 344 OD1 ASN A 24 0.271 9.311 -4.966 1.00 2.90 O ATOM 345 ND2 ASN A 24 1.282 7.385 -5.483 1.00 2.55 N ATOM 0 H ASN A 24 0.532 8.390 -2.263 1.00 0.66 H new ATOM 0 HA ASN A 24 -1.888 9.002 -3.531 1.00 0.71 H new ATOM 0 HB2 ASN A 24 -0.195 6.475 -3.570 1.00 0.75 H new ATOM 0 HB3 ASN A 24 -1.442 6.873 -4.735 1.00 0.75 H new ATOM 0 HD21 ASN A 24 2.005 7.863 -6.021 1.00 2.55 H new ATOM 0 HD22 ASN A 24 1.296 6.368 -5.400 1.00 2.55 H new ATOM 352 N LEU A 25 -2.011 6.370 -1.524 1.00 0.80 N ATOM 353 CA LEU A 25 -2.826 5.534 -0.672 1.00 0.81 C ATOM 354 C LEU A 25 -3.586 6.390 0.336 1.00 0.76 C ATOM 355 O LEU A 25 -4.755 6.134 0.576 1.00 0.96 O ATOM 356 CB LEU A 25 -1.978 4.419 -0.048 1.00 0.84 C ATOM 357 CG LEU A 25 -1.760 3.220 -0.999 1.00 1.22 C ATOM 358 CD1 LEU A 25 -2.986 2.305 -1.011 1.00 2.11 C ATOM 359 CD2 LEU A 25 -1.468 3.577 -2.466 1.00 2.47 C ATOM 0 H LEU A 25 -1.025 6.109 -1.511 1.00 0.80 H new ATOM 0 HA LEU A 25 -3.589 5.025 -1.262 1.00 0.81 H new ATOM 0 HB2 LEU A 25 -1.009 4.826 0.242 1.00 0.84 H new ATOM 0 HB3 LEU A 25 -2.462 4.069 0.864 1.00 0.84 H new ATOM 0 HG LEU A 25 -0.873 2.737 -0.590 1.00 1.22 H new ATOM 0 HD11 LEU A 25 -2.809 1.469 -1.687 1.00 2.11 H new ATOM 0 HD12 LEU A 25 -3.167 1.926 -0.005 1.00 2.11 H new ATOM 0 HD13 LEU A 25 -3.856 2.867 -1.349 1.00 2.11 H new ATOM 0 HD21 LEU A 25 -1.332 2.662 -3.043 1.00 2.47 H new ATOM 0 HD22 LEU A 25 -2.304 4.144 -2.876 1.00 2.47 H new ATOM 0 HD23 LEU A 25 -0.561 4.179 -2.520 1.00 2.47 H new ATOM 371 N ARG A 26 -2.990 7.450 0.884 1.00 0.69 N ATOM 372 CA ARG A 26 -3.659 8.326 1.809 1.00 0.75 C ATOM 373 C ARG A 26 -4.968 8.858 1.205 1.00 1.35 C ATOM 374 O ARG A 26 -5.923 9.127 1.928 1.00 1.76 O ATOM 375 CB ARG A 26 -2.760 9.508 2.190 1.00 0.77 C ATOM 376 CG ARG A 26 -2.863 9.755 3.696 1.00 2.11 C ATOM 377 CD ARG A 26 -3.103 11.223 4.083 1.00 2.61 C ATOM 378 NE ARG A 26 -2.246 11.644 5.205 1.00 3.89 N ATOM 379 CZ ARG A 26 -0.920 11.842 5.114 1.00 5.06 C ATOM 380 NH1 ARG A 26 -0.295 11.579 3.961 1.00 5.34 N ATOM 381 NH2 ARG A 26 -0.228 12.297 6.165 1.00 6.51 N ATOM 0 H ARG A 26 -2.024 7.715 0.689 1.00 0.69 H new ATOM 0 HA ARG A 26 -3.886 7.748 2.705 1.00 0.75 H new ATOM 0 HB2 ARG A 26 -1.727 9.298 1.914 1.00 0.77 H new ATOM 0 HB3 ARG A 26 -3.061 10.401 1.642 1.00 0.77 H new ATOM 0 HG2 ARG A 26 -3.675 9.149 4.097 1.00 2.11 H new ATOM 0 HG3 ARG A 26 -1.944 9.412 4.172 1.00 2.11 H new ATOM 0 HD2 ARG A 26 -2.911 11.861 3.221 1.00 2.61 H new ATOM 0 HD3 ARG A 26 -4.150 11.360 4.355 1.00 2.61 H new ATOM 0 HE ARG A 26 -2.689 11.795 6.111 1.00 3.89 H new ATOM 0 HH11 ARG A 26 -0.825 11.232 3.161 1.00 5.34 H new ATOM 0 HH12 ARG A 26 0.711 11.726 3.881 1.00 5.34 H new ATOM 0 HH21 ARG A 26 -0.707 12.496 7.043 1.00 6.51 H new ATOM 0 HH22 ARG A 26 0.778 12.445 6.088 1.00 6.51 H new ATOM 395 N ARG A 27 -4.958 9.088 -0.116 1.00 1.74 N ATOM 396 CA ARG A 27 -6.077 9.610 -0.886 1.00 2.45 C ATOM 397 C ARG A 27 -7.016 8.503 -1.375 1.00 1.89 C ATOM 398 O ARG A 27 -8.201 8.783 -1.549 1.00 2.31 O ATOM 399 CB ARG A 27 -5.545 10.405 -2.086 1.00 3.56 C ATOM 400 CG ARG A 27 -4.885 11.726 -1.677 1.00 3.95 C ATOM 401 CD ARG A 27 -5.939 12.735 -1.190 1.00 4.13 C ATOM 402 NE ARG A 27 -5.724 14.071 -1.769 1.00 4.81 N ATOM 403 CZ ARG A 27 -4.866 14.996 -1.316 1.00 5.74 C ATOM 404 NH1 ARG A 27 -4.102 14.725 -0.253 1.00 6.44 N ATOM 405 NH2 ARG A 27 -4.777 16.182 -1.928 1.00 6.56 N ATOM 0 H ARG A 27 -4.136 8.906 -0.691 1.00 1.74 H new ATOM 0 HA ARG A 27 -6.655 10.258 -0.228 1.00 2.45 H new ATOM 0 HB2 ARG A 27 -4.822 9.795 -2.628 1.00 3.56 H new ATOM 0 HB3 ARG A 27 -6.366 10.612 -2.772 1.00 3.56 H new ATOM 0 HG2 ARG A 27 -4.156 11.544 -0.887 1.00 3.95 H new ATOM 0 HG3 ARG A 27 -4.340 12.143 -2.524 1.00 3.95 H new ATOM 0 HD2 ARG A 27 -6.934 12.379 -1.457 1.00 4.13 H new ATOM 0 HD3 ARG A 27 -5.905 12.800 -0.102 1.00 4.13 H new ATOM 0 HE ARG A 27 -6.278 14.315 -2.590 1.00 4.81 H new ATOM 0 HH11 ARG A 27 -4.174 13.818 0.209 1.00 6.44 H new ATOM 0 HH12 ARG A 27 -3.447 15.425 0.096 1.00 6.44 H new ATOM 0 HH21 ARG A 27 -5.362 16.382 -2.739 1.00 6.56 H new ATOM 0 HH22 ARG A 27 -4.124 16.886 -1.583 1.00 6.56 H new ATOM 419 N GLU A 28 -6.495 7.299 -1.652 1.00 1.46 N ATOM 420 CA GLU A 28 -7.268 6.181 -2.195 1.00 1.36 C ATOM 421 C GLU A 28 -8.649 6.049 -1.548 1.00 1.34 C ATOM 422 O GLU A 28 -8.772 6.081 -0.320 1.00 1.93 O ATOM 423 CB GLU A 28 -6.497 4.860 -2.050 1.00 1.36 C ATOM 424 CG GLU A 28 -5.872 4.413 -3.375 1.00 1.69 C ATOM 425 CD GLU A 28 -6.923 3.687 -4.207 1.00 1.88 C ATOM 426 OE1 GLU A 28 -7.961 4.330 -4.478 1.00 2.45 O ATOM 427 OE2 GLU A 28 -6.711 2.481 -4.458 1.00 2.93 O ATOM 0 H GLU A 28 -5.511 7.075 -1.502 1.00 1.46 H new ATOM 0 HA GLU A 28 -7.420 6.398 -3.252 1.00 1.36 H new ATOM 0 HB2 GLU A 28 -5.714 4.977 -1.301 1.00 1.36 H new ATOM 0 HB3 GLU A 28 -7.171 4.084 -1.687 1.00 1.36 H new ATOM 0 HG2 GLU A 28 -5.492 5.277 -3.921 1.00 1.69 H new ATOM 0 HG3 GLU A 28 -5.023 3.756 -3.187 1.00 1.69 H new ATOM 434 N GLU A 29 -9.678 5.893 -2.384 1.00 1.23 N ATOM 435 CA GLU A 29 -11.078 6.064 -2.021 1.00 1.24 C ATOM 436 C GLU A 29 -11.590 4.909 -1.153 1.00 0.97 C ATOM 437 O GLU A 29 -12.417 4.101 -1.570 1.00 1.13 O ATOM 438 CB GLU A 29 -11.929 6.336 -3.272 1.00 1.64 C ATOM 439 CG GLU A 29 -11.692 5.414 -4.477 1.00 3.20 C ATOM 440 CD GLU A 29 -12.590 5.833 -5.636 1.00 3.67 C ATOM 441 OE1 GLU A 29 -12.313 6.915 -6.198 1.00 4.18 O ATOM 442 OE2 GLU A 29 -13.555 5.089 -5.916 1.00 4.18 O ATOM 0 H GLU A 29 -9.551 5.636 -3.363 1.00 1.23 H new ATOM 0 HA GLU A 29 -11.172 6.947 -1.389 1.00 1.24 H new ATOM 0 HB2 GLU A 29 -12.980 6.267 -2.991 1.00 1.64 H new ATOM 0 HB3 GLU A 29 -11.751 7.364 -3.589 1.00 1.64 H new ATOM 0 HG2 GLU A 29 -10.646 5.460 -4.781 1.00 3.20 H new ATOM 0 HG3 GLU A 29 -11.899 4.380 -4.201 1.00 3.20 H new ATOM 449 N GLY A 30 -11.103 4.849 0.088 1.00 0.92 N ATOM 450 CA GLY A 30 -11.327 3.728 0.983 1.00 0.80 C ATOM 451 C GLY A 30 -10.215 3.549 2.009 1.00 0.63 C ATOM 452 O GLY A 30 -10.456 2.978 3.073 1.00 0.83 O ATOM 0 H GLY A 30 -10.536 5.591 0.498 1.00 0.92 H new ATOM 0 HA2 GLY A 30 -12.274 3.871 1.504 1.00 0.80 H new ATOM 0 HA3 GLY A 30 -11.421 2.815 0.395 1.00 0.80 H new ATOM 456 N ILE A 31 -8.991 3.990 1.697 1.00 0.67 N ATOM 457 CA ILE A 31 -7.879 3.847 2.619 1.00 0.57 C ATOM 458 C ILE A 31 -8.094 4.750 3.833 1.00 0.58 C ATOM 459 O ILE A 31 -8.462 5.914 3.703 1.00 0.78 O ATOM 460 CB ILE A 31 -6.553 4.143 1.908 1.00 0.60 C ATOM 461 CG1 ILE A 31 -6.131 2.993 0.979 1.00 0.84 C ATOM 462 CG2 ILE A 31 -5.419 4.472 2.895 1.00 0.70 C ATOM 463 CD1 ILE A 31 -5.644 1.745 1.723 1.00 1.67 C ATOM 0 H ILE A 31 -8.755 4.446 0.815 1.00 0.67 H new ATOM 0 HA ILE A 31 -7.830 2.818 2.974 1.00 0.57 H new ATOM 0 HB ILE A 31 -6.732 5.029 1.298 1.00 0.60 H new ATOM 0 HG12 ILE A 31 -6.976 2.721 0.346 1.00 0.84 H new ATOM 0 HG13 ILE A 31 -5.338 3.344 0.319 1.00 0.84 H new ATOM 0 HG21 ILE A 31 -4.502 4.674 2.341 1.00 0.70 H new ATOM 0 HG22 ILE A 31 -5.690 5.350 3.481 1.00 0.70 H new ATOM 0 HG23 ILE A 31 -5.261 3.625 3.563 1.00 0.70 H new ATOM 0 HD11 ILE A 31 -5.364 0.977 1.002 1.00 1.67 H new ATOM 0 HD12 ILE A 31 -4.779 2.001 2.335 1.00 1.67 H new ATOM 0 HD13 ILE A 31 -6.442 1.368 2.362 1.00 1.67 H new ATOM 475 N TYR A 32 -7.857 4.191 5.021 1.00 0.47 N ATOM 476 CA TYR A 32 -7.919 4.885 6.296 1.00 0.52 C ATOM 477 C TYR A 32 -6.513 5.209 6.806 1.00 0.47 C ATOM 478 O TYR A 32 -6.361 6.116 7.620 1.00 0.58 O ATOM 479 CB TYR A 32 -8.683 4.021 7.313 1.00 0.59 C ATOM 480 CG TYR A 32 -10.197 4.178 7.329 1.00 0.68 C ATOM 481 CD1 TYR A 32 -10.911 4.586 6.184 1.00 2.25 C ATOM 482 CD2 TYR A 32 -10.887 3.991 8.541 1.00 1.76 C ATOM 483 CE1 TYR A 32 -12.277 4.899 6.276 1.00 2.30 C ATOM 484 CE2 TYR A 32 -12.262 4.271 8.624 1.00 1.84 C ATOM 485 CZ TYR A 32 -12.944 4.775 7.505 1.00 1.02 C ATOM 486 OH TYR A 32 -14.250 5.143 7.621 1.00 1.30 O ATOM 0 H TYR A 32 -7.608 3.207 5.119 1.00 0.47 H new ATOM 0 HA TYR A 32 -8.448 5.828 6.163 1.00 0.52 H new ATOM 0 HB2 TYR A 32 -8.450 2.975 7.116 1.00 0.59 H new ATOM 0 HB3 TYR A 32 -8.305 4.250 8.309 1.00 0.59 H new ATOM 0 HD1 TYR A 32 -10.406 4.658 5.232 1.00 2.25 H new ATOM 0 HD2 TYR A 32 -10.358 3.631 9.411 1.00 1.76 H new ATOM 0 HE1 TYR A 32 -12.814 5.235 5.401 1.00 2.30 H new ATOM 0 HE2 TYR A 32 -12.794 4.099 9.548 1.00 1.84 H new ATOM 0 HH TYR A 32 -14.553 4.989 8.540 1.00 1.30 H new ATOM 496 N SER A 33 -5.484 4.461 6.391 1.00 0.44 N ATOM 497 CA SER A 33 -4.126 4.716 6.847 1.00 0.39 C ATOM 498 C SER A 33 -3.109 4.170 5.853 1.00 0.36 C ATOM 499 O SER A 33 -3.349 3.131 5.243 1.00 0.42 O ATOM 500 CB SER A 33 -3.917 4.080 8.226 1.00 0.48 C ATOM 501 OG SER A 33 -2.918 4.774 8.943 1.00 0.81 O ATOM 0 H SER A 33 -5.572 3.679 5.743 1.00 0.44 H new ATOM 0 HA SER A 33 -3.979 5.793 6.922 1.00 0.39 H new ATOM 0 HB2 SER A 33 -4.852 4.095 8.786 1.00 0.48 H new ATOM 0 HB3 SER A 33 -3.631 3.034 8.112 1.00 0.48 H new ATOM 0 HG SER A 33 -2.797 4.358 9.822 1.00 0.81 H new ATOM 507 N ILE A 34 -1.988 4.879 5.721 1.00 0.44 N ATOM 508 CA ILE A 34 -0.892 4.599 4.806 1.00 0.56 C ATOM 509 C ILE A 34 0.082 3.553 5.352 1.00 0.47 C ATOM 510 O ILE A 34 0.078 3.233 6.537 1.00 0.46 O ATOM 511 CB ILE A 34 -0.162 5.915 4.497 1.00 0.82 C ATOM 512 CG1 ILE A 34 0.478 6.567 5.745 1.00 2.10 C ATOM 513 CG2 ILE A 34 -1.164 6.887 3.883 1.00 0.91 C ATOM 514 CD1 ILE A 34 1.981 6.317 5.858 1.00 3.14 C ATOM 0 H ILE A 34 -1.815 5.711 6.284 1.00 0.44 H new ATOM 0 HA ILE A 34 -1.309 4.174 3.893 1.00 0.56 H new ATOM 0 HB ILE A 34 0.653 5.686 3.810 1.00 0.82 H new ATOM 0 HG12 ILE A 34 0.297 7.642 5.717 1.00 2.10 H new ATOM 0 HG13 ILE A 34 -0.015 6.184 6.639 1.00 2.10 H new ATOM 0 HG21 ILE A 34 -0.665 7.829 3.656 1.00 0.91 H new ATOM 0 HG22 ILE A 34 -1.569 6.461 2.965 1.00 0.91 H new ATOM 0 HG23 ILE A 34 -1.975 7.067 4.588 1.00 0.91 H new ATOM 0 HD11 ILE A 34 2.364 6.802 6.756 1.00 3.14 H new ATOM 0 HD12 ILE A 34 2.168 5.245 5.917 1.00 3.14 H new ATOM 0 HD13 ILE A 34 2.485 6.725 4.982 1.00 3.14 H new ATOM 526 N LEU A 35 0.915 3.021 4.454 1.00 0.55 N ATOM 527 CA LEU A 35 1.828 1.925 4.696 1.00 0.49 C ATOM 528 C LEU A 35 3.185 2.417 5.180 1.00 0.57 C ATOM 529 O LEU A 35 3.716 3.371 4.629 1.00 0.84 O ATOM 530 CB LEU A 35 1.953 1.102 3.410 1.00 0.54 C ATOM 531 CG LEU A 35 2.553 1.783 2.162 1.00 0.72 C ATOM 532 CD1 LEU A 35 4.094 1.830 2.174 1.00 1.66 C ATOM 533 CD2 LEU A 35 2.051 1.023 0.925 1.00 1.64 C ATOM 0 H LEU A 35 0.966 3.367 3.496 1.00 0.55 H new ATOM 0 HA LEU A 35 1.432 1.296 5.493 1.00 0.49 H new ATOM 0 HB2 LEU A 35 2.560 0.225 3.634 1.00 0.54 H new ATOM 0 HB3 LEU A 35 0.958 0.743 3.147 1.00 0.54 H new ATOM 0 HG LEU A 35 2.227 2.823 2.149 1.00 0.72 H new ATOM 0 HD11 LEU A 35 4.450 2.321 1.269 1.00 1.66 H new ATOM 0 HD12 LEU A 35 4.434 2.387 3.047 1.00 1.66 H new ATOM 0 HD13 LEU A 35 4.489 0.815 2.215 1.00 1.66 H new ATOM 0 HD21 LEU A 35 2.460 1.483 0.025 1.00 1.64 H new ATOM 0 HD22 LEU A 35 2.374 -0.016 0.981 1.00 1.64 H new ATOM 0 HD23 LEU A 35 0.962 1.063 0.891 1.00 1.64 H new ATOM 545 N VAL A 36 3.740 1.784 6.214 1.00 0.49 N ATOM 546 CA VAL A 36 4.998 2.199 6.797 1.00 0.61 C ATOM 547 C VAL A 36 5.653 1.081 7.621 1.00 0.62 C ATOM 548 O VAL A 36 5.505 1.025 8.837 1.00 0.70 O ATOM 549 CB VAL A 36 4.782 3.507 7.584 1.00 0.71 C ATOM 550 CG1 VAL A 36 3.595 3.401 8.555 1.00 0.68 C ATOM 551 CG2 VAL A 36 6.068 3.955 8.285 1.00 0.95 C ATOM 0 H VAL A 36 3.323 0.970 6.665 1.00 0.49 H new ATOM 0 HA VAL A 36 5.716 2.404 6.003 1.00 0.61 H new ATOM 0 HB VAL A 36 4.524 4.284 6.864 1.00 0.71 H new ATOM 0 HG11 VAL A 36 3.477 4.343 9.090 1.00 0.68 H new ATOM 0 HG12 VAL A 36 2.685 3.185 7.995 1.00 0.68 H new ATOM 0 HG13 VAL A 36 3.780 2.599 9.270 1.00 0.68 H new ATOM 0 HG21 VAL A 36 5.882 4.880 8.831 1.00 0.95 H new ATOM 0 HG22 VAL A 36 6.391 3.181 8.982 1.00 0.95 H new ATOM 0 HG23 VAL A 36 6.848 4.123 7.542 1.00 0.95 H new ATOM 561 N ALA A 37 6.444 0.212 6.991 1.00 0.62 N ATOM 562 CA ALA A 37 7.404 -0.605 7.723 1.00 0.66 C ATOM 563 C ALA A 37 8.701 -0.706 6.918 1.00 0.68 C ATOM 564 O ALA A 37 9.300 -1.777 6.814 1.00 0.68 O ATOM 565 CB ALA A 37 6.782 -1.949 8.125 1.00 0.62 C ATOM 0 H ALA A 37 6.437 0.058 5.983 1.00 0.62 H new ATOM 0 HA ALA A 37 7.671 -0.134 8.669 1.00 0.66 H new ATOM 0 HB1 ALA A 37 7.517 -2.542 8.670 1.00 0.62 H new ATOM 0 HB2 ALA A 37 5.914 -1.773 8.761 1.00 0.62 H new ATOM 0 HB3 ALA A 37 6.472 -2.489 7.230 1.00 0.62 H new ATOM 571 N LEU A 38 9.158 0.450 6.411 1.00 0.75 N ATOM 572 CA LEU A 38 10.471 0.649 5.792 1.00 0.85 C ATOM 573 C LEU A 38 11.565 0.132 6.728 1.00 0.93 C ATOM 574 O LEU A 38 12.516 -0.493 6.266 1.00 1.00 O ATOM 575 CB LEU A 38 10.650 2.140 5.445 1.00 1.00 C ATOM 576 CG LEU A 38 11.813 2.440 4.476 1.00 1.12 C ATOM 577 CD1 LEU A 38 11.540 3.747 3.720 1.00 1.48 C ATOM 578 CD2 LEU A 38 13.176 2.585 5.168 1.00 1.81 C ATOM 0 H LEU A 38 8.598 1.303 6.423 1.00 0.75 H new ATOM 0 HA LEU A 38 10.545 0.083 4.864 1.00 0.85 H new ATOM 0 HB2 LEU A 38 9.724 2.511 5.006 1.00 1.00 H new ATOM 0 HB3 LEU A 38 10.811 2.697 6.368 1.00 1.00 H new ATOM 0 HG LEU A 38 11.863 1.581 3.807 1.00 1.12 H new ATOM 0 HD11 LEU A 38 12.365 3.952 3.038 1.00 1.48 H new ATOM 0 HD12 LEU A 38 10.615 3.652 3.152 1.00 1.48 H new ATOM 0 HD13 LEU A 38 11.446 4.567 4.432 1.00 1.48 H new ATOM 0 HD21 LEU A 38 13.942 2.795 4.422 1.00 1.81 H new ATOM 0 HD22 LEU A 38 13.134 3.404 5.886 1.00 1.81 H new ATOM 0 HD23 LEU A 38 13.420 1.659 5.688 1.00 1.81 H new ATOM 590 N MET A 39 11.370 0.344 8.039 1.00 0.95 N ATOM 591 CA MET A 39 12.120 -0.239 9.152 1.00 1.12 C ATOM 592 C MET A 39 12.731 -1.604 8.824 1.00 1.01 C ATOM 593 O MET A 39 13.884 -1.860 9.165 1.00 1.07 O ATOM 594 CB MET A 39 11.184 -0.364 10.373 1.00 1.26 C ATOM 595 CG MET A 39 11.476 0.695 11.442 1.00 2.06 C ATOM 596 SD MET A 39 13.064 0.484 12.293 1.00 3.58 S ATOM 597 CE MET A 39 13.005 1.867 13.451 1.00 4.69 C ATOM 0 H MET A 39 10.634 0.970 8.367 1.00 0.95 H new ATOM 0 HA MET A 39 12.956 0.427 9.365 1.00 1.12 H new ATOM 0 HB2 MET A 39 10.149 -0.270 10.045 1.00 1.26 H new ATOM 0 HB3 MET A 39 11.291 -1.357 10.810 1.00 1.26 H new ATOM 0 HG2 MET A 39 11.456 1.680 10.975 1.00 2.06 H new ATOM 0 HG3 MET A 39 10.676 0.677 12.182 1.00 2.06 H new ATOM 0 HE1 MET A 39 13.914 1.877 14.052 1.00 4.69 H new ATOM 0 HE2 MET A 39 12.925 2.802 12.897 1.00 4.69 H new ATOM 0 HE3 MET A 39 12.140 1.758 14.105 1.00 4.69 H new ATOM 607 N ALA A 40 11.944 -2.480 8.195 1.00 0.88 N ATOM 608 CA ALA A 40 12.397 -3.789 7.749 1.00 0.80 C ATOM 609 C ALA A 40 12.207 -3.948 6.237 1.00 0.72 C ATOM 610 O ALA A 40 13.113 -4.406 5.547 1.00 0.84 O ATOM 611 CB ALA A 40 11.639 -4.853 8.534 1.00 0.86 C ATOM 0 H ALA A 40 10.964 -2.293 7.981 1.00 0.88 H new ATOM 0 HA ALA A 40 13.465 -3.901 7.938 1.00 0.80 H new ATOM 0 HB1 ALA A 40 11.965 -5.843 8.214 1.00 0.86 H new ATOM 0 HB2 ALA A 40 11.840 -4.732 9.598 1.00 0.86 H new ATOM 0 HB3 ALA A 40 10.570 -4.747 8.352 1.00 0.86 H new ATOM 617 N GLY A 41 11.022 -3.593 5.733 1.00 0.70 N ATOM 618 CA GLY A 41 10.710 -3.556 4.312 1.00 0.65 C ATOM 619 C GLY A 41 9.298 -4.069 4.030 1.00 0.54 C ATOM 620 O GLY A 41 9.111 -4.841 3.094 1.00 0.69 O ATOM 0 H GLY A 41 10.236 -3.317 6.322 1.00 0.70 H new ATOM 0 HA2 GLY A 41 10.806 -2.534 3.945 1.00 0.65 H new ATOM 0 HA3 GLY A 41 11.433 -4.161 3.765 1.00 0.65 H new ATOM 624 N LYS A 42 8.303 -3.668 4.835 1.00 0.51 N ATOM 625 CA LYS A 42 6.897 -4.020 4.622 1.00 0.39 C ATOM 626 C LYS A 42 6.029 -2.768 4.675 1.00 0.37 C ATOM 627 O LYS A 42 6.514 -1.663 4.917 1.00 0.55 O ATOM 628 CB LYS A 42 6.419 -5.048 5.657 1.00 0.56 C ATOM 629 CG LYS A 42 7.067 -6.418 5.426 1.00 0.62 C ATOM 630 CD LYS A 42 7.452 -7.102 6.739 1.00 1.29 C ATOM 631 CE LYS A 42 8.523 -6.278 7.470 1.00 2.11 C ATOM 632 NZ LYS A 42 9.238 -7.102 8.468 1.00 3.06 N ATOM 0 H LYS A 42 8.456 -3.085 5.658 1.00 0.51 H new ATOM 0 HA LYS A 42 6.806 -4.473 3.635 1.00 0.39 H new ATOM 0 HB2 LYS A 42 6.659 -4.695 6.660 1.00 0.56 H new ATOM 0 HB3 LYS A 42 5.334 -5.143 5.603 1.00 0.56 H new ATOM 0 HG2 LYS A 42 6.377 -7.056 4.874 1.00 0.62 H new ATOM 0 HG3 LYS A 42 7.956 -6.298 4.806 1.00 0.62 H new ATOM 0 HD2 LYS A 42 6.572 -7.212 7.372 1.00 1.29 H new ATOM 0 HD3 LYS A 42 7.828 -8.105 6.539 1.00 1.29 H new ATOM 0 HE2 LYS A 42 9.234 -5.877 6.748 1.00 2.11 H new ATOM 0 HE3 LYS A 42 8.056 -5.426 7.964 1.00 2.11 H new ATOM 0 HZ1 LYS A 42 9.611 -6.489 9.221 1.00 3.06 H new ATOM 0 HZ2 LYS A 42 8.582 -7.796 8.880 1.00 3.06 H new ATOM 0 HZ3 LYS A 42 10.025 -7.601 8.006 1.00 3.06 H new ATOM 646 N ALA A 43 4.744 -2.957 4.397 1.00 0.32 N ATOM 647 CA ALA A 43 3.782 -1.919 4.152 1.00 0.30 C ATOM 648 C ALA A 43 2.470 -2.358 4.801 1.00 0.33 C ATOM 649 O ALA A 43 2.062 -3.507 4.632 1.00 0.44 O ATOM 650 CB ALA A 43 3.639 -1.782 2.630 1.00 0.39 C ATOM 0 H ALA A 43 4.337 -3.890 4.336 1.00 0.32 H new ATOM 0 HA ALA A 43 4.077 -0.955 4.567 1.00 0.30 H new ATOM 0 HB1 ALA A 43 2.914 -1.001 2.402 1.00 0.39 H new ATOM 0 HB2 ALA A 43 4.604 -1.520 2.196 1.00 0.39 H new ATOM 0 HB3 ALA A 43 3.297 -2.728 2.210 1.00 0.39 H new ATOM 656 N GLU A 44 1.815 -1.465 5.548 1.00 0.38 N ATOM 657 CA GLU A 44 0.568 -1.799 6.226 1.00 0.58 C ATOM 658 C GLU A 44 -0.502 -0.726 6.025 1.00 0.53 C ATOM 659 O GLU A 44 -0.723 0.124 6.882 1.00 0.61 O ATOM 660 CB GLU A 44 0.817 -2.166 7.690 1.00 0.88 C ATOM 661 CG GLU A 44 1.706 -1.232 8.520 1.00 1.62 C ATOM 662 CD GLU A 44 1.855 -1.795 9.932 1.00 1.62 C ATOM 663 OE1 GLU A 44 0.806 -2.198 10.494 1.00 2.36 O ATOM 664 OE2 GLU A 44 3.010 -1.886 10.395 1.00 1.96 O ATOM 0 H GLU A 44 2.131 -0.506 5.696 1.00 0.38 H new ATOM 0 HA GLU A 44 0.156 -2.694 5.759 1.00 0.58 H new ATOM 0 HB2 GLU A 44 -0.151 -2.236 8.187 1.00 0.88 H new ATOM 0 HB3 GLU A 44 1.261 -3.161 7.715 1.00 0.88 H new ATOM 0 HG2 GLU A 44 2.685 -1.132 8.051 1.00 1.62 H new ATOM 0 HG3 GLU A 44 1.268 -0.235 8.559 1.00 1.62 H new ATOM 671 N VAL A 45 -1.191 -0.798 4.886 1.00 0.60 N ATOM 672 CA VAL A 45 -2.263 0.124 4.538 1.00 0.60 C ATOM 673 C VAL A 45 -3.582 -0.351 5.162 1.00 0.68 C ATOM 674 O VAL A 45 -3.985 -1.505 4.989 1.00 1.24 O ATOM 675 CB VAL A 45 -2.370 0.311 3.008 1.00 0.68 C ATOM 676 CG1 VAL A 45 -1.873 1.698 2.594 1.00 2.40 C ATOM 677 CG2 VAL A 45 -1.604 -0.722 2.177 1.00 2.27 C ATOM 0 H VAL A 45 -1.016 -1.507 4.174 1.00 0.60 H new ATOM 0 HA VAL A 45 -2.033 1.106 4.950 1.00 0.60 H new ATOM 0 HB VAL A 45 -3.431 0.180 2.798 1.00 0.68 H new ATOM 0 HG11 VAL A 45 -1.958 1.807 1.513 1.00 2.40 H new ATOM 0 HG12 VAL A 45 -2.476 2.462 3.084 1.00 2.40 H new ATOM 0 HG13 VAL A 45 -0.830 1.814 2.890 1.00 2.40 H new ATOM 0 HG21 VAL A 45 -1.739 -0.509 1.117 1.00 2.27 H new ATOM 0 HG22 VAL A 45 -0.544 -0.674 2.425 1.00 2.27 H new ATOM 0 HG23 VAL A 45 -1.983 -1.720 2.397 1.00 2.27 H new ATOM 687 N ARG A 46 -4.268 0.547 5.879 1.00 0.35 N ATOM 688 CA ARG A 46 -5.603 0.295 6.397 1.00 0.37 C ATOM 689 C ARG A 46 -6.631 0.594 5.318 1.00 0.42 C ATOM 690 O ARG A 46 -6.628 1.696 4.775 1.00 0.52 O ATOM 691 CB ARG A 46 -5.880 1.068 7.688 1.00 0.47 C ATOM 692 CG ARG A 46 -7.180 0.540 8.309 1.00 0.58 C ATOM 693 CD ARG A 46 -7.528 1.280 9.606 1.00 0.87 C ATOM 694 NE ARG A 46 -7.366 0.396 10.773 1.00 1.71 N ATOM 695 CZ ARG A 46 -7.045 0.778 12.020 1.00 2.37 C ATOM 696 NH1 ARG A 46 -6.912 2.076 12.317 1.00 2.01 N ATOM 697 NH2 ARG A 46 -6.862 -0.147 12.969 1.00 4.06 N ATOM 0 H ARG A 46 -3.904 1.471 6.113 1.00 0.35 H new ATOM 0 HA ARG A 46 -5.676 -0.759 6.665 1.00 0.37 H new ATOM 0 HB2 ARG A 46 -5.052 0.947 8.386 1.00 0.47 H new ATOM 0 HB3 ARG A 46 -5.967 2.134 7.479 1.00 0.47 H new ATOM 0 HG2 ARG A 46 -7.996 0.652 7.595 1.00 0.58 H new ATOM 0 HG3 ARG A 46 -7.079 -0.526 8.513 1.00 0.58 H new ATOM 0 HD2 ARG A 46 -6.886 2.154 9.715 1.00 0.87 H new ATOM 0 HD3 ARG A 46 -8.555 1.643 9.559 1.00 0.87 H new ATOM 0 HE ARG A 46 -7.512 -0.602 10.619 1.00 1.71 H new ATOM 0 HH11 ARG A 46 -7.055 2.782 11.594 1.00 2.01 H new ATOM 0 HH12 ARG A 46 -6.668 2.360 13.266 1.00 2.01 H new ATOM 0 HH21 ARG A 46 -6.966 -1.136 12.744 1.00 4.06 H new ATOM 0 HH22 ARG A 46 -6.618 0.137 13.918 1.00 4.06 H new ATOM 711 N TYR A 47 -7.496 -0.381 5.031 1.00 0.50 N ATOM 712 CA TYR A 47 -8.429 -0.386 3.914 1.00 0.59 C ATOM 713 C TYR A 47 -9.843 -0.638 4.432 1.00 0.50 C ATOM 714 O TYR A 47 -10.083 -0.561 5.637 1.00 0.64 O ATOM 715 CB TYR A 47 -7.971 -1.440 2.897 1.00 0.66 C ATOM 716 CG TYR A 47 -8.202 -2.884 3.315 1.00 0.64 C ATOM 717 CD1 TYR A 47 -7.386 -3.470 4.298 1.00 2.01 C ATOM 718 CD2 TYR A 47 -9.280 -3.620 2.791 1.00 1.57 C ATOM 719 CE1 TYR A 47 -7.625 -4.785 4.735 1.00 2.30 C ATOM 720 CE2 TYR A 47 -9.539 -4.917 3.266 1.00 1.62 C ATOM 721 CZ TYR A 47 -8.682 -5.522 4.190 1.00 1.34 C ATOM 722 OH TYR A 47 -9.004 -6.752 4.690 1.00 1.90 O ATOM 0 H TYR A 47 -7.564 -1.225 5.600 1.00 0.50 H new ATOM 0 HA TYR A 47 -8.444 0.580 3.409 1.00 0.59 H new ATOM 0 HB2 TYR A 47 -8.490 -1.263 1.955 1.00 0.66 H new ATOM 0 HB3 TYR A 47 -6.907 -1.299 2.706 1.00 0.66 H new ATOM 0 HD1 TYR A 47 -6.568 -2.905 4.721 1.00 2.01 H new ATOM 0 HD2 TYR A 47 -9.908 -3.189 2.025 1.00 1.57 H new ATOM 0 HE1 TYR A 47 -6.993 -5.226 5.491 1.00 2.30 H new ATOM 0 HE2 TYR A 47 -10.409 -5.452 2.914 1.00 1.62 H new ATOM 0 HH TYR A 47 -9.526 -6.644 5.512 1.00 1.90 H new ATOM 732 N ASN A 48 -10.788 -0.925 3.530 1.00 0.52 N ATOM 733 CA ASN A 48 -12.190 -1.074 3.894 1.00 0.56 C ATOM 734 C ASN A 48 -12.903 -2.042 2.932 1.00 0.54 C ATOM 735 O ASN A 48 -13.318 -1.617 1.848 1.00 0.58 O ATOM 736 CB ASN A 48 -12.820 0.331 3.926 1.00 0.88 C ATOM 737 CG ASN A 48 -14.066 0.430 4.799 1.00 1.34 C ATOM 738 OD1 ASN A 48 -14.345 -0.433 5.627 1.00 2.09 O ATOM 739 ND2 ASN A 48 -14.821 1.513 4.641 1.00 1.82 N ATOM 0 H ASN A 48 -10.599 -1.058 2.537 1.00 0.52 H new ATOM 0 HA ASN A 48 -12.295 -1.521 4.883 1.00 0.56 H new ATOM 0 HB2 ASN A 48 -12.078 1.043 4.287 1.00 0.88 H new ATOM 0 HB3 ASN A 48 -13.077 0.627 2.909 1.00 0.88 H new ATOM 0 HD21 ASN A 48 -15.654 1.642 5.215 1.00 1.82 H new ATOM 0 HD22 ASN A 48 -14.567 2.215 3.946 1.00 1.82 H new ATOM 746 N PRO A 49 -13.055 -3.337 3.279 1.00 0.70 N ATOM 747 CA PRO A 49 -13.812 -4.306 2.489 1.00 1.06 C ATOM 748 C PRO A 49 -15.295 -4.021 2.720 1.00 1.35 C ATOM 749 O PRO A 49 -16.012 -4.758 3.390 1.00 1.70 O ATOM 750 CB PRO A 49 -13.383 -5.676 3.003 1.00 1.27 C ATOM 751 CG PRO A 49 -13.063 -5.417 4.477 1.00 1.11 C ATOM 752 CD PRO A 49 -12.638 -3.944 4.536 1.00 0.87 C ATOM 0 HA PRO A 49 -13.633 -4.255 1.415 1.00 1.06 H new ATOM 0 HB2 PRO A 49 -14.176 -6.415 2.888 1.00 1.27 H new ATOM 0 HB3 PRO A 49 -12.514 -6.054 2.464 1.00 1.27 H new ATOM 0 HG2 PRO A 49 -13.932 -5.603 5.108 1.00 1.11 H new ATOM 0 HG3 PRO A 49 -12.267 -6.072 4.829 1.00 1.11 H new ATOM 0 HD2 PRO A 49 -13.105 -3.440 5.383 1.00 0.87 H new ATOM 0 HD3 PRO A 49 -11.560 -3.857 4.669 1.00 0.87 H new ATOM 760 N ALA A 50 -15.706 -2.877 2.189 1.00 1.29 N ATOM 761 CA ALA A 50 -16.969 -2.211 2.437 1.00 1.85 C ATOM 762 C ALA A 50 -17.314 -1.435 1.165 1.00 1.87 C ATOM 763 O ALA A 50 -18.421 -1.554 0.650 1.00 2.56 O ATOM 764 CB ALA A 50 -16.826 -1.296 3.663 1.00 2.06 C ATOM 0 H ALA A 50 -15.124 -2.359 1.531 1.00 1.29 H new ATOM 0 HA ALA A 50 -17.774 -2.912 2.660 1.00 1.85 H new ATOM 0 HB1 ALA A 50 -17.774 -0.793 3.854 1.00 2.06 H new ATOM 0 HB2 ALA A 50 -16.551 -1.893 4.532 1.00 2.06 H new ATOM 0 HB3 ALA A 50 -16.052 -0.552 3.474 1.00 2.06 H new ATOM 770 N VAL A 51 -16.336 -0.684 0.637 1.00 1.19 N ATOM 771 CA VAL A 51 -16.393 -0.076 -0.681 1.00 1.08 C ATOM 772 C VAL A 51 -15.192 -0.534 -1.520 1.00 1.06 C ATOM 773 O VAL A 51 -15.369 -1.112 -2.587 1.00 1.46 O ATOM 774 CB VAL A 51 -16.447 1.453 -0.524 1.00 1.01 C ATOM 775 CG1 VAL A 51 -16.310 2.142 -1.883 1.00 1.12 C ATOM 776 CG2 VAL A 51 -17.770 1.876 0.128 1.00 1.37 C ATOM 0 H VAL A 51 -15.468 -0.484 1.134 1.00 1.19 H new ATOM 0 HA VAL A 51 -17.292 -0.393 -1.210 1.00 1.08 H new ATOM 0 HB VAL A 51 -15.616 1.755 0.113 1.00 1.01 H new ATOM 0 HG11 VAL A 51 -16.351 3.223 -1.749 1.00 1.12 H new ATOM 0 HG12 VAL A 51 -15.357 1.868 -2.335 1.00 1.12 H new ATOM 0 HG13 VAL A 51 -17.125 1.826 -2.535 1.00 1.12 H new ATOM 0 HG21 VAL A 51 -17.794 2.961 0.233 1.00 1.37 H new ATOM 0 HG22 VAL A 51 -18.603 1.553 -0.497 1.00 1.37 H new ATOM 0 HG23 VAL A 51 -17.855 1.415 1.112 1.00 1.37 H new ATOM 786 N ILE A 52 -13.971 -0.238 -1.062 1.00 0.77 N ATOM 787 CA ILE A 52 -12.811 -0.175 -1.952 1.00 0.77 C ATOM 788 C ILE A 52 -12.342 -1.554 -2.406 1.00 0.97 C ATOM 789 O ILE A 52 -12.116 -1.785 -3.587 1.00 1.40 O ATOM 790 CB ILE A 52 -11.701 0.660 -1.297 1.00 0.65 C ATOM 791 CG1 ILE A 52 -10.544 0.906 -2.271 1.00 1.03 C ATOM 792 CG2 ILE A 52 -11.220 0.182 0.086 1.00 0.68 C ATOM 793 CD1 ILE A 52 -9.376 -0.058 -2.127 1.00 1.94 C ATOM 0 H ILE A 52 -13.763 -0.039 -0.084 1.00 0.77 H new ATOM 0 HA ILE A 52 -13.108 0.328 -2.872 1.00 0.77 H new ATOM 0 HB ILE A 52 -12.175 1.615 -1.071 1.00 0.65 H new ATOM 0 HG12 ILE A 52 -10.925 0.844 -3.290 1.00 1.03 H new ATOM 0 HG13 ILE A 52 -10.178 1.923 -2.129 1.00 1.03 H new ATOM 0 HG21 ILE A 52 -10.437 0.847 0.449 1.00 0.68 H new ATOM 0 HG22 ILE A 52 -12.056 0.191 0.785 1.00 0.68 H new ATOM 0 HG23 ILE A 52 -10.826 -0.831 0.004 1.00 0.68 H new ATOM 0 HD11 ILE A 52 -8.606 0.192 -2.856 1.00 1.94 H new ATOM 0 HD12 ILE A 52 -8.963 0.019 -1.121 1.00 1.94 H new ATOM 0 HD13 ILE A 52 -9.722 -1.077 -2.300 1.00 1.94 H new ATOM 805 N GLN A 53 -12.201 -2.451 -1.434 1.00 1.03 N ATOM 806 CA GLN A 53 -11.849 -3.858 -1.564 1.00 1.38 C ATOM 807 C GLN A 53 -10.327 -4.075 -1.710 1.00 1.09 C ATOM 808 O GLN A 53 -9.687 -3.475 -2.570 1.00 0.84 O ATOM 809 CB GLN A 53 -12.644 -4.559 -2.686 1.00 1.82 C ATOM 810 CG GLN A 53 -13.607 -5.630 -2.159 1.00 2.64 C ATOM 811 CD GLN A 53 -13.773 -6.766 -3.160 1.00 1.96 C ATOM 812 OE1 GLN A 53 -13.865 -6.549 -4.363 1.00 2.25 O ATOM 813 NE2 GLN A 53 -13.778 -8.001 -2.669 1.00 2.31 N ATOM 0 H GLN A 53 -12.342 -2.190 -0.458 1.00 1.03 H new ATOM 0 HA GLN A 53 -12.142 -4.333 -0.628 1.00 1.38 H new ATOM 0 HB2 GLN A 53 -13.210 -3.813 -3.244 1.00 1.82 H new ATOM 0 HB3 GLN A 53 -11.946 -5.019 -3.386 1.00 1.82 H new ATOM 0 HG2 GLN A 53 -13.232 -6.026 -1.215 1.00 2.64 H new ATOM 0 HG3 GLN A 53 -14.578 -5.179 -1.953 1.00 2.64 H new ATOM 0 HE21 GLN A 53 -13.700 -8.150 -1.663 1.00 2.31 H new ATOM 0 HE22 GLN A 53 -13.860 -8.800 -3.298 1.00 2.31 H new ATOM 822 N PRO A 54 -9.724 -4.966 -0.903 1.00 1.25 N ATOM 823 CA PRO A 54 -8.283 -5.167 -0.865 1.00 1.24 C ATOM 824 C PRO A 54 -7.627 -5.576 -2.196 1.00 1.11 C ATOM 825 O PRO A 54 -6.465 -5.226 -2.389 1.00 1.01 O ATOM 826 CB PRO A 54 -8.001 -6.147 0.275 1.00 1.75 C ATOM 827 CG PRO A 54 -9.324 -6.883 0.454 1.00 1.77 C ATOM 828 CD PRO A 54 -10.385 -5.870 0.021 1.00 1.58 C ATOM 0 HA PRO A 54 -7.807 -4.204 -0.683 1.00 1.24 H new ATOM 0 HB2 PRO A 54 -7.192 -6.833 0.023 1.00 1.75 H new ATOM 0 HB3 PRO A 54 -7.705 -5.627 1.186 1.00 1.75 H new ATOM 0 HG2 PRO A 54 -9.363 -7.785 -0.157 1.00 1.77 H new ATOM 0 HG3 PRO A 54 -9.469 -7.193 1.489 1.00 1.77 H new ATOM 0 HD2 PRO A 54 -11.228 -6.369 -0.457 1.00 1.58 H new ATOM 0 HD3 PRO A 54 -10.781 -5.329 0.880 1.00 1.58 H new ATOM 836 N PRO A 55 -8.275 -6.281 -3.143 1.00 1.19 N ATOM 837 CA PRO A 55 -7.653 -6.458 -4.446 1.00 1.15 C ATOM 838 C PRO A 55 -7.466 -5.125 -5.192 1.00 1.00 C ATOM 839 O PRO A 55 -6.501 -4.987 -5.945 1.00 1.07 O ATOM 840 CB PRO A 55 -8.526 -7.466 -5.202 1.00 1.35 C ATOM 841 CG PRO A 55 -9.884 -7.370 -4.513 1.00 1.48 C ATOM 842 CD PRO A 55 -9.507 -7.059 -3.067 1.00 1.41 C ATOM 0 HA PRO A 55 -6.637 -6.841 -4.351 1.00 1.15 H new ATOM 0 HB2 PRO A 55 -8.597 -7.217 -6.261 1.00 1.35 H new ATOM 0 HB3 PRO A 55 -8.117 -8.474 -5.139 1.00 1.35 H new ATOM 0 HG2 PRO A 55 -10.504 -6.585 -4.947 1.00 1.48 H new ATOM 0 HG3 PRO A 55 -10.445 -8.301 -4.594 1.00 1.48 H new ATOM 0 HD2 PRO A 55 -10.296 -6.496 -2.568 1.00 1.41 H new ATOM 0 HD3 PRO A 55 -9.358 -7.975 -2.495 1.00 1.41 H new ATOM 850 N MET A 56 -8.352 -4.134 -5.003 1.00 0.91 N ATOM 851 CA MET A 56 -8.286 -2.921 -5.808 1.00 0.77 C ATOM 852 C MET A 56 -7.096 -2.051 -5.409 1.00 0.54 C ATOM 853 O MET A 56 -6.374 -1.586 -6.288 1.00 0.58 O ATOM 854 CB MET A 56 -9.595 -2.129 -5.758 1.00 0.83 C ATOM 855 CG MET A 56 -10.742 -2.874 -6.451 1.00 1.85 C ATOM 856 SD MET A 56 -12.110 -1.803 -6.968 1.00 2.65 S ATOM 857 CE MET A 56 -13.079 -2.969 -7.946 1.00 3.94 C ATOM 0 H MET A 56 -9.104 -4.153 -4.314 1.00 0.91 H new ATOM 0 HA MET A 56 -8.138 -3.232 -6.842 1.00 0.77 H new ATOM 0 HB2 MET A 56 -9.863 -1.936 -4.719 1.00 0.83 H new ATOM 0 HB3 MET A 56 -9.451 -1.160 -6.235 1.00 0.83 H new ATOM 0 HG2 MET A 56 -10.349 -3.392 -7.326 1.00 1.85 H new ATOM 0 HG3 MET A 56 -11.127 -3.637 -5.775 1.00 1.85 H new ATOM 0 HE1 MET A 56 -13.963 -2.467 -8.340 1.00 3.94 H new ATOM 0 HE2 MET A 56 -12.474 -3.341 -8.773 1.00 3.94 H new ATOM 0 HE3 MET A 56 -13.387 -3.804 -7.317 1.00 3.94 H new ATOM 867 N ILE A 57 -6.868 -1.838 -4.107 1.00 0.55 N ATOM 868 CA ILE A 57 -5.689 -1.074 -3.688 1.00 0.69 C ATOM 869 C ILE A 57 -4.412 -1.652 -4.305 1.00 0.59 C ATOM 870 O ILE A 57 -3.605 -0.912 -4.865 1.00 0.69 O ATOM 871 CB ILE A 57 -5.544 -0.959 -2.156 1.00 1.11 C ATOM 872 CG1 ILE A 57 -6.183 -2.113 -1.383 1.00 0.96 C ATOM 873 CG2 ILE A 57 -6.036 0.396 -1.641 1.00 2.33 C ATOM 874 CD1 ILE A 57 -5.652 -2.202 0.049 1.00 1.39 C ATOM 0 H ILE A 57 -7.463 -2.172 -3.348 1.00 0.55 H new ATOM 0 HA ILE A 57 -5.841 -0.061 -4.062 1.00 0.69 H new ATOM 0 HB ILE A 57 -4.474 -1.031 -1.962 1.00 1.11 H new ATOM 0 HG12 ILE A 57 -7.265 -1.981 -1.362 1.00 0.96 H new ATOM 0 HG13 ILE A 57 -5.986 -3.051 -1.902 1.00 0.96 H new ATOM 0 HG21 ILE A 57 -5.918 0.439 -0.558 1.00 2.33 H new ATOM 0 HG22 ILE A 57 -5.453 1.194 -2.101 1.00 2.33 H new ATOM 0 HG23 ILE A 57 -7.088 0.522 -1.896 1.00 2.33 H new ATOM 0 HD11 ILE A 57 -6.131 -3.035 0.564 1.00 1.39 H new ATOM 0 HD12 ILE A 57 -4.574 -2.361 0.028 1.00 1.39 H new ATOM 0 HD13 ILE A 57 -5.872 -1.274 0.577 1.00 1.39 H new ATOM 886 N ALA A 58 -4.213 -2.969 -4.215 1.00 0.53 N ATOM 887 CA ALA A 58 -3.066 -3.599 -4.837 1.00 0.54 C ATOM 888 C ALA A 58 -2.954 -3.244 -6.324 1.00 0.57 C ATOM 889 O ALA A 58 -1.897 -2.795 -6.763 1.00 0.72 O ATOM 890 CB ALA A 58 -3.123 -5.109 -4.624 1.00 0.69 C ATOM 0 H ALA A 58 -4.832 -3.609 -3.718 1.00 0.53 H new ATOM 0 HA ALA A 58 -2.165 -3.214 -4.359 1.00 0.54 H new ATOM 0 HB1 ALA A 58 -2.258 -5.576 -5.094 1.00 0.69 H new ATOM 0 HB2 ALA A 58 -3.117 -5.326 -3.556 1.00 0.69 H new ATOM 0 HB3 ALA A 58 -4.036 -5.505 -5.069 1.00 0.69 H new ATOM 896 N GLU A 59 -4.026 -3.417 -7.101 1.00 0.64 N ATOM 897 CA GLU A 59 -4.032 -2.998 -8.496 1.00 0.82 C ATOM 898 C GLU A 59 -3.617 -1.532 -8.645 1.00 0.84 C ATOM 899 O GLU A 59 -2.698 -1.233 -9.403 1.00 0.97 O ATOM 900 CB GLU A 59 -5.416 -3.208 -9.095 1.00 0.91 C ATOM 901 CG GLU A 59 -5.642 -4.658 -9.545 1.00 1.05 C ATOM 902 CD GLU A 59 -4.873 -4.992 -10.820 1.00 1.04 C ATOM 903 OE1 GLU A 59 -5.431 -4.719 -11.904 1.00 2.16 O ATOM 904 OE2 GLU A 59 -3.741 -5.509 -10.686 1.00 1.60 O ATOM 0 H GLU A 59 -4.897 -3.844 -6.785 1.00 0.64 H new ATOM 0 HA GLU A 59 -3.305 -3.608 -9.032 1.00 0.82 H new ATOM 0 HB2 GLU A 59 -6.173 -2.936 -8.359 1.00 0.91 H new ATOM 0 HB3 GLU A 59 -5.546 -2.541 -9.947 1.00 0.91 H new ATOM 0 HG2 GLU A 59 -5.334 -5.336 -8.749 1.00 1.05 H new ATOM 0 HG3 GLU A 59 -6.707 -4.824 -9.711 1.00 1.05 H new ATOM 911 N PHE A 60 -4.269 -0.620 -7.919 1.00 0.80 N ATOM 912 CA PHE A 60 -3.865 0.771 -7.844 1.00 0.88 C ATOM 913 C PHE A 60 -2.356 0.893 -7.665 1.00 0.95 C ATOM 914 O PHE A 60 -1.690 1.592 -8.416 1.00 1.26 O ATOM 915 CB PHE A 60 -4.600 1.453 -6.682 1.00 0.85 C ATOM 916 CG PHE A 60 -4.941 2.879 -7.005 1.00 0.91 C ATOM 917 CD1 PHE A 60 -6.141 3.139 -7.680 1.00 2.16 C ATOM 918 CD2 PHE A 60 -3.994 3.901 -6.826 1.00 1.90 C ATOM 919 CE1 PHE A 60 -6.399 4.418 -8.181 1.00 2.18 C ATOM 920 CE2 PHE A 60 -4.257 5.188 -7.319 1.00 2.14 C ATOM 921 CZ PHE A 60 -5.465 5.452 -7.992 1.00 1.38 C ATOM 0 H PHE A 60 -5.098 -0.836 -7.365 1.00 0.80 H new ATOM 0 HA PHE A 60 -4.129 1.265 -8.779 1.00 0.88 H new ATOM 0 HB2 PHE A 60 -5.513 0.902 -6.455 1.00 0.85 H new ATOM 0 HB3 PHE A 60 -3.977 1.421 -5.788 1.00 0.85 H new ATOM 0 HD1 PHE A 60 -6.867 2.351 -7.813 1.00 2.16 H new ATOM 0 HD2 PHE A 60 -3.067 3.697 -6.311 1.00 1.90 H new ATOM 0 HE1 PHE A 60 -7.318 4.613 -8.714 1.00 2.18 H new ATOM 0 HE2 PHE A 60 -3.532 5.977 -7.182 1.00 2.14 H new ATOM 0 HZ PHE A 60 -5.674 6.445 -8.362 1.00 1.38 H new ATOM 931 N ILE A 61 -1.792 0.170 -6.698 1.00 0.79 N ATOM 932 CA ILE A 61 -0.359 0.246 -6.428 1.00 0.80 C ATOM 933 C ILE A 61 0.418 -0.189 -7.672 1.00 0.81 C ATOM 934 O ILE A 61 1.428 0.416 -8.037 1.00 0.84 O ATOM 935 CB ILE A 61 0.004 -0.566 -5.168 1.00 0.77 C ATOM 936 CG1 ILE A 61 -0.504 0.179 -3.923 1.00 0.72 C ATOM 937 CG2 ILE A 61 1.521 -0.771 -5.073 1.00 0.89 C ATOM 938 CD1 ILE A 61 -0.542 -0.700 -2.670 1.00 0.69 C ATOM 0 H ILE A 61 -2.303 -0.472 -6.092 1.00 0.79 H new ATOM 0 HA ILE A 61 -0.075 1.276 -6.212 1.00 0.80 H new ATOM 0 HB ILE A 61 -0.469 -1.546 -5.229 1.00 0.77 H new ATOM 0 HG12 ILE A 61 0.137 1.040 -3.736 1.00 0.72 H new ATOM 0 HG13 ILE A 61 -1.505 0.563 -4.120 1.00 0.72 H new ATOM 0 HG21 ILE A 61 1.755 -1.346 -4.177 1.00 0.89 H new ATOM 0 HG22 ILE A 61 1.871 -1.311 -5.953 1.00 0.89 H new ATOM 0 HG23 ILE A 61 2.017 0.198 -5.022 1.00 0.89 H new ATOM 0 HD11 ILE A 61 -0.909 -0.115 -1.827 1.00 0.69 H new ATOM 0 HD12 ILE A 61 -1.206 -1.548 -2.840 1.00 0.69 H new ATOM 0 HD13 ILE A 61 0.462 -1.063 -2.450 1.00 0.69 H new ATOM 950 N ARG A 62 -0.059 -1.238 -8.344 1.00 0.81 N ATOM 951 CA ARG A 62 0.591 -1.732 -9.542 1.00 0.84 C ATOM 952 C ARG A 62 0.564 -0.733 -10.703 1.00 0.85 C ATOM 953 O ARG A 62 1.274 -0.975 -11.677 1.00 0.91 O ATOM 954 CB ARG A 62 -0.037 -3.051 -10.015 1.00 0.89 C ATOM 955 CG ARG A 62 0.128 -4.204 -9.024 1.00 0.89 C ATOM 956 CD ARG A 62 -0.757 -5.389 -9.454 1.00 1.38 C ATOM 957 NE ARG A 62 0.027 -6.588 -9.784 1.00 1.33 N ATOM 958 CZ ARG A 62 0.770 -7.267 -8.899 1.00 1.94 C ATOM 959 NH1 ARG A 62 0.777 -6.876 -7.625 1.00 3.43 N ATOM 960 NH2 ARG A 62 1.505 -8.315 -9.286 1.00 2.32 N ATOM 0 H ARG A 62 -0.894 -1.757 -8.073 1.00 0.81 H new ATOM 0 HA ARG A 62 1.631 -1.891 -9.257 1.00 0.84 H new ATOM 0 HB2 ARG A 62 -1.100 -2.891 -10.199 1.00 0.89 H new ATOM 0 HB3 ARG A 62 0.412 -3.335 -10.967 1.00 0.89 H new ATOM 0 HG2 ARG A 62 1.172 -4.514 -8.982 1.00 0.89 H new ATOM 0 HG3 ARG A 62 -0.148 -3.877 -8.021 1.00 0.89 H new ATOM 0 HD2 ARG A 62 -1.456 -5.626 -8.652 1.00 1.38 H new ATOM 0 HD3 ARG A 62 -1.352 -5.098 -10.320 1.00 1.38 H new ATOM 0 HE ARG A 62 0.004 -6.924 -10.747 1.00 1.33 H new ATOM 0 HH11 ARG A 62 0.222 -6.071 -7.336 1.00 3.43 H new ATOM 0 HH12 ARG A 62 1.337 -7.382 -6.939 1.00 3.43 H new ATOM 0 HH21 ARG A 62 1.504 -8.605 -10.264 1.00 2.32 H new ATOM 0 HH22 ARG A 62 2.067 -8.824 -8.603 1.00 2.32 H new ATOM 974 N GLU A 63 -0.177 0.384 -10.630 1.00 0.82 N ATOM 975 CA GLU A 63 -0.105 1.416 -11.664 1.00 0.88 C ATOM 976 C GLU A 63 1.353 1.855 -11.880 1.00 0.84 C ATOM 977 O GLU A 63 1.746 2.241 -12.979 1.00 0.82 O ATOM 978 CB GLU A 63 -1.037 2.591 -11.312 1.00 1.04 C ATOM 979 CG GLU A 63 -0.417 3.596 -10.326 1.00 1.63 C ATOM 980 CD GLU A 63 -1.381 4.704 -9.915 1.00 2.63 C ATOM 981 OE1 GLU A 63 -2.280 5.009 -10.728 1.00 2.88 O ATOM 982 OE2 GLU A 63 -1.166 5.260 -8.815 1.00 3.91 O ATOM 0 H GLU A 63 -0.826 0.590 -9.871 1.00 0.82 H new ATOM 0 HA GLU A 63 -0.455 1.007 -12.612 1.00 0.88 H new ATOM 0 HB2 GLU A 63 -1.309 3.115 -12.228 1.00 1.04 H new ATOM 0 HB3 GLU A 63 -1.959 2.197 -10.884 1.00 1.04 H new ATOM 0 HG2 GLU A 63 -0.084 3.063 -9.435 1.00 1.63 H new ATOM 0 HG3 GLU A 63 0.468 4.042 -10.780 1.00 1.63 H new ATOM 989 N LEU A 64 2.165 1.750 -10.822 1.00 0.84 N ATOM 990 CA LEU A 64 3.562 2.149 -10.799 1.00 0.82 C ATOM 991 C LEU A 64 4.479 1.067 -11.387 1.00 0.78 C ATOM 992 O LEU A 64 5.664 1.315 -11.589 1.00 0.79 O ATOM 993 CB LEU A 64 3.964 2.387 -9.339 1.00 0.98 C ATOM 994 CG LEU A 64 3.045 3.347 -8.566 1.00 1.07 C ATOM 995 CD1 LEU A 64 3.396 3.280 -7.081 1.00 1.27 C ATOM 996 CD2 LEU A 64 3.164 4.790 -9.063 1.00 1.32 C ATOM 0 H LEU A 64 1.848 1.370 -9.930 1.00 0.84 H new ATOM 0 HA LEU A 64 3.673 3.049 -11.404 1.00 0.82 H new ATOM 0 HB2 LEU A 64 3.983 1.428 -8.821 1.00 0.98 H new ATOM 0 HB3 LEU A 64 4.980 2.781 -9.316 1.00 0.98 H new ATOM 0 HG LEU A 64 2.014 3.035 -8.731 1.00 1.07 H new ATOM 0 HD11 LEU A 64 2.750 3.958 -6.523 1.00 1.27 H new ATOM 0 HD12 LEU A 64 3.253 2.262 -6.719 1.00 1.27 H new ATOM 0 HD13 LEU A 64 4.436 3.573 -6.939 1.00 1.27 H new ATOM 0 HD21 LEU A 64 2.496 5.430 -8.486 1.00 1.32 H new ATOM 0 HD22 LEU A 64 4.191 5.134 -8.940 1.00 1.32 H new ATOM 0 HD23 LEU A 64 2.890 4.836 -10.117 1.00 1.32 H new ATOM 1008 N GLY A 65 3.963 -0.144 -11.620 1.00 0.83 N ATOM 1009 CA GLY A 65 4.733 -1.261 -12.148 1.00 0.83 C ATOM 1010 C GLY A 65 5.681 -1.882 -11.117 1.00 0.78 C ATOM 1011 O GLY A 65 6.625 -2.570 -11.499 1.00 0.88 O ATOM 0 H GLY A 65 2.985 -0.373 -11.443 1.00 0.83 H new ATOM 0 HA2 GLY A 65 4.048 -2.028 -12.510 1.00 0.83 H new ATOM 0 HA3 GLY A 65 5.313 -0.921 -13.006 1.00 0.83 H new ATOM 1015 N PHE A 66 5.425 -1.687 -9.818 1.00 0.77 N ATOM 1016 CA PHE A 66 6.202 -2.334 -8.764 1.00 0.81 C ATOM 1017 C PHE A 66 5.645 -3.725 -8.461 1.00 0.77 C ATOM 1018 O PHE A 66 4.442 -3.971 -8.567 1.00 0.74 O ATOM 1019 CB PHE A 66 6.239 -1.476 -7.491 1.00 0.84 C ATOM 1020 CG PHE A 66 7.236 -0.333 -7.548 1.00 0.95 C ATOM 1021 CD1 PHE A 66 8.616 -0.609 -7.572 1.00 1.96 C ATOM 1022 CD2 PHE A 66 6.794 1.002 -7.570 1.00 2.06 C ATOM 1023 CE1 PHE A 66 9.546 0.441 -7.675 1.00 2.30 C ATOM 1024 CE2 PHE A 66 7.721 2.052 -7.694 1.00 2.39 C ATOM 1025 CZ PHE A 66 9.097 1.770 -7.753 1.00 1.95 C ATOM 0 H PHE A 66 4.680 -1.081 -9.474 1.00 0.77 H new ATOM 0 HA PHE A 66 7.226 -2.442 -9.123 1.00 0.81 H new ATOM 0 HB2 PHE A 66 5.244 -1.069 -7.310 1.00 0.84 H new ATOM 0 HB3 PHE A 66 6.481 -2.114 -6.641 1.00 0.84 H new ATOM 0 HD1 PHE A 66 8.962 -1.630 -7.511 1.00 1.96 H new ATOM 0 HD2 PHE A 66 5.739 1.221 -7.491 1.00 2.06 H new ATOM 0 HE1 PHE A 66 10.604 0.226 -7.694 1.00 2.30 H new ATOM 0 HE2 PHE A 66 7.376 3.074 -7.744 1.00 2.39 H new ATOM 0 HZ PHE A 66 9.809 2.575 -7.858 1.00 1.95 H new ATOM 1035 N GLY A 67 6.523 -4.629 -8.017 1.00 0.83 N ATOM 1036 CA GLY A 67 6.162 -6.004 -7.721 1.00 0.88 C ATOM 1037 C GLY A 67 5.532 -6.071 -6.337 1.00 0.82 C ATOM 1038 O GLY A 67 6.133 -6.578 -5.392 1.00 0.90 O ATOM 0 H GLY A 67 7.508 -4.419 -7.854 1.00 0.83 H new ATOM 0 HA2 GLY A 67 5.464 -6.378 -8.470 1.00 0.88 H new ATOM 0 HA3 GLY A 67 7.045 -6.641 -7.762 1.00 0.88 H new ATOM 1042 N ALA A 68 4.311 -5.545 -6.228 1.00 0.74 N ATOM 1043 CA ALA A 68 3.570 -5.535 -4.979 1.00 0.65 C ATOM 1044 C ALA A 68 2.909 -6.890 -4.767 1.00 0.59 C ATOM 1045 O ALA A 68 2.531 -7.564 -5.728 1.00 0.69 O ATOM 1046 CB ALA A 68 2.535 -4.406 -5.001 1.00 0.63 C ATOM 0 H ALA A 68 3.813 -5.115 -7.008 1.00 0.74 H new ATOM 0 HA ALA A 68 4.249 -5.354 -4.146 1.00 0.65 H new ATOM 0 HB1 ALA A 68 1.981 -4.402 -4.062 1.00 0.63 H new ATOM 0 HB2 ALA A 68 3.042 -3.450 -5.127 1.00 0.63 H new ATOM 0 HB3 ALA A 68 1.844 -4.562 -5.829 1.00 0.63 H new ATOM 1052 N THR A 69 2.757 -7.285 -3.506 1.00 0.52 N ATOM 1053 CA THR A 69 2.077 -8.499 -3.107 1.00 0.49 C ATOM 1054 C THR A 69 1.278 -8.115 -1.871 1.00 0.48 C ATOM 1055 O THR A 69 1.813 -7.429 -0.998 1.00 0.77 O ATOM 1056 CB THR A 69 3.063 -9.659 -2.934 1.00 0.56 C ATOM 1057 OG1 THR A 69 2.371 -10.878 -2.769 1.00 1.48 O ATOM 1058 CG2 THR A 69 3.965 -9.444 -1.733 1.00 1.03 C ATOM 0 H THR A 69 3.116 -6.749 -2.716 1.00 0.52 H new ATOM 0 HA THR A 69 1.394 -8.887 -3.862 1.00 0.49 H new ATOM 0 HB THR A 69 3.674 -9.699 -3.836 1.00 0.56 H new ATOM 0 HG1 THR A 69 3.016 -11.608 -2.662 1.00 1.48 H new ATOM 0 HG21 THR A 69 4.652 -10.285 -1.639 1.00 1.03 H new ATOM 0 HG22 THR A 69 4.534 -8.524 -1.865 1.00 1.03 H new ATOM 0 HG23 THR A 69 3.358 -9.369 -0.831 1.00 1.03 H new ATOM 1066 N VAL A 70 -0.013 -8.452 -1.869 1.00 0.48 N ATOM 1067 CA VAL A 70 -0.982 -8.036 -0.874 1.00 0.45 C ATOM 1068 C VAL A 70 -1.498 -9.283 -0.170 1.00 0.47 C ATOM 1069 O VAL A 70 -1.681 -10.324 -0.800 1.00 0.57 O ATOM 1070 CB VAL A 70 -2.084 -7.198 -1.543 1.00 0.46 C ATOM 1071 CG1 VAL A 70 -2.851 -7.968 -2.631 1.00 0.56 C ATOM 1072 CG2 VAL A 70 -3.103 -6.679 -0.517 1.00 0.51 C ATOM 0 H VAL A 70 -0.420 -9.045 -2.592 1.00 0.48 H new ATOM 0 HA VAL A 70 -0.537 -7.391 -0.117 1.00 0.45 H new ATOM 0 HB VAL A 70 -1.559 -6.364 -2.009 1.00 0.46 H new ATOM 0 HG11 VAL A 70 -3.614 -7.322 -3.064 1.00 0.56 H new ATOM 0 HG12 VAL A 70 -2.158 -8.284 -3.411 1.00 0.56 H new ATOM 0 HG13 VAL A 70 -3.325 -8.845 -2.190 1.00 0.56 H new ATOM 0 HG21 VAL A 70 -3.866 -6.091 -1.027 1.00 0.51 H new ATOM 0 HG22 VAL A 70 -3.573 -7.523 -0.012 1.00 0.51 H new ATOM 0 HG23 VAL A 70 -2.594 -6.054 0.217 1.00 0.51 H new ATOM 1082 N ILE A 71 -1.671 -9.181 1.144 1.00 0.51 N ATOM 1083 CA ILE A 71 -1.960 -10.276 2.043 1.00 0.59 C ATOM 1084 C ILE A 71 -3.151 -9.847 2.901 1.00 0.80 C ATOM 1085 O ILE A 71 -3.186 -8.728 3.427 1.00 0.69 O ATOM 1086 CB ILE A 71 -0.699 -10.611 2.863 1.00 0.90 C ATOM 1087 CG1 ILE A 71 0.423 -11.079 1.913 1.00 1.61 C ATOM 1088 CG2 ILE A 71 -1.001 -11.671 3.929 1.00 2.74 C ATOM 1089 CD1 ILE A 71 1.718 -11.474 2.628 1.00 2.02 C ATOM 0 H ILE A 71 -1.609 -8.285 1.628 1.00 0.51 H new ATOM 0 HA ILE A 71 -2.227 -11.192 1.517 1.00 0.59 H new ATOM 0 HB ILE A 71 -0.367 -9.714 3.385 1.00 0.90 H new ATOM 0 HG12 ILE A 71 0.064 -11.931 1.335 1.00 1.61 H new ATOM 0 HG13 ILE A 71 0.641 -10.281 1.203 1.00 1.61 H new ATOM 0 HG21 ILE A 71 -0.094 -11.889 4.493 1.00 2.74 H new ATOM 0 HG22 ILE A 71 -1.769 -11.297 4.607 1.00 2.74 H new ATOM 0 HG23 ILE A 71 -1.355 -12.582 3.446 1.00 2.74 H new ATOM 0 HD11 ILE A 71 2.457 -11.791 1.893 1.00 2.02 H new ATOM 0 HD12 ILE A 71 2.102 -10.619 3.183 1.00 2.02 H new ATOM 0 HD13 ILE A 71 1.517 -12.294 3.318 1.00 2.02 H new ATOM 1101 N GLU A 72 -4.131 -10.748 2.981 1.00 1.40 N ATOM 1102 CA GLU A 72 -5.370 -10.605 3.722 1.00 1.91 C ATOM 1103 C GLU A 72 -5.113 -10.352 5.209 1.00 1.44 C ATOM 1104 O GLU A 72 -3.993 -10.497 5.704 1.00 2.08 O ATOM 1105 CB GLU A 72 -6.206 -11.873 3.490 1.00 3.10 C ATOM 1106 CG GLU A 72 -5.512 -13.143 4.010 1.00 3.76 C ATOM 1107 CD GLU A 72 -6.222 -14.393 3.512 1.00 5.26 C ATOM 1108 OE1 GLU A 72 -7.435 -14.499 3.792 1.00 5.91 O ATOM 1109 OE2 GLU A 72 -5.541 -15.201 2.846 1.00 6.09 O ATOM 0 H GLU A 72 -4.071 -11.646 2.501 1.00 1.40 H new ATOM 0 HA GLU A 72 -5.919 -9.733 3.366 1.00 1.91 H new ATOM 0 HB2 GLU A 72 -7.171 -11.763 3.984 1.00 3.10 H new ATOM 0 HB3 GLU A 72 -6.405 -11.983 2.424 1.00 3.10 H new ATOM 0 HG2 GLU A 72 -4.473 -13.155 3.681 1.00 3.76 H new ATOM 0 HG3 GLU A 72 -5.501 -13.136 5.100 1.00 3.76 H new ATOM 1116 N ASN A 73 -6.157 -9.958 5.940 1.00 2.04 N ATOM 1117 CA ASN A 73 -6.051 -9.655 7.357 1.00 2.90 C ATOM 1118 C ASN A 73 -7.449 -9.524 7.939 1.00 3.14 C ATOM 1119 O ASN A 73 -8.385 -9.197 7.209 1.00 4.20 O ATOM 1120 CB ASN A 73 -5.270 -8.349 7.563 1.00 4.07 C ATOM 1121 CG ASN A 73 -4.080 -8.522 8.500 1.00 4.74 C ATOM 1122 OD1 ASN A 73 -4.003 -7.900 9.555 1.00 5.85 O ATOM 1123 ND2 ASN A 73 -3.138 -9.380 8.121 1.00 4.70 N ATOM 0 H ASN A 73 -7.097 -9.842 5.561 1.00 2.04 H new ATOM 0 HA ASN A 73 -5.516 -10.459 7.863 1.00 2.90 H new ATOM 0 HB2 ASN A 73 -4.918 -7.984 6.598 1.00 4.07 H new ATOM 0 HB3 ASN A 73 -5.939 -7.589 7.967 1.00 4.07 H new ATOM 0 HD21 ASN A 73 -2.322 -9.536 8.713 1.00 4.70 H new ATOM 0 HD22 ASN A 73 -3.231 -9.882 7.238 1.00 4.70 H new ATOM 1130 N ILE A 74 -7.569 -9.771 9.243 1.00 2.77 N ATOM 1131 CA ILE A 74 -8.825 -9.672 9.970 1.00 2.98 C ATOM 1132 C ILE A 74 -9.210 -8.202 10.202 1.00 3.08 C ATOM 1133 O ILE A 74 -8.498 -7.282 9.792 1.00 3.47 O ATOM 1134 CB ILE A 74 -8.736 -10.484 11.279 1.00 3.27 C ATOM 1135 CG1 ILE A 74 -7.621 -9.961 12.204 1.00 3.77 C ATOM 1136 CG2 ILE A 74 -8.531 -11.974 10.961 1.00 3.61 C ATOM 1137 CD1 ILE A 74 -7.773 -10.465 13.641 1.00 4.37 C ATOM 0 H ILE A 74 -6.782 -10.049 9.829 1.00 2.77 H new ATOM 0 HA ILE A 74 -9.627 -10.105 9.373 1.00 2.98 H new ATOM 0 HB ILE A 74 -9.678 -10.362 11.814 1.00 3.27 H new ATOM 0 HG12 ILE A 74 -6.652 -10.272 11.813 1.00 3.77 H new ATOM 0 HG13 ILE A 74 -7.631 -8.871 12.201 1.00 3.77 H new ATOM 0 HG21 ILE A 74 -8.469 -12.539 11.891 1.00 3.61 H new ATOM 0 HG22 ILE A 74 -9.371 -12.339 10.370 1.00 3.61 H new ATOM 0 HG23 ILE A 74 -7.607 -12.102 10.397 1.00 3.61 H new ATOM 0 HD11 ILE A 74 -6.963 -10.069 14.253 1.00 4.37 H new ATOM 0 HD12 ILE A 74 -8.729 -10.132 14.044 1.00 4.37 H new ATOM 0 HD13 ILE A 74 -7.735 -11.554 13.650 1.00 4.37 H new ATOM 1149 N GLU A 75 -10.362 -7.995 10.844 1.00 3.17 N ATOM 1150 CA GLU A 75 -10.928 -6.694 11.156 1.00 3.48 C ATOM 1151 C GLU A 75 -10.619 -6.306 12.599 1.00 3.94 C ATOM 1152 O GLU A 75 -10.528 -7.160 13.477 1.00 4.41 O ATOM 1153 CB GLU A 75 -12.442 -6.751 10.930 1.00 3.63 C ATOM 1154 CG GLU A 75 -12.789 -6.980 9.454 1.00 3.70 C ATOM 1155 CD GLU A 75 -14.271 -7.281 9.305 1.00 4.38 C ATOM 1156 OE1 GLU A 75 -15.046 -6.299 9.290 1.00 5.58 O ATOM 1157 OE2 GLU A 75 -14.597 -8.485 9.243 1.00 4.36 O ATOM 0 H GLU A 75 -10.945 -8.765 11.171 1.00 3.17 H new ATOM 0 HA GLU A 75 -10.487 -5.938 10.506 1.00 3.48 H new ATOM 0 HB2 GLU A 75 -12.870 -7.552 11.533 1.00 3.63 H new ATOM 0 HB3 GLU A 75 -12.896 -5.820 11.270 1.00 3.63 H new ATOM 0 HG2 GLU A 75 -12.529 -6.097 8.870 1.00 3.70 H new ATOM 0 HG3 GLU A 75 -12.201 -7.808 9.059 1.00 3.70 H new ATOM 1164 N GLY A 76 -10.520 -4.996 12.841 1.00 4.41 N ATOM 1165 CA GLY A 76 -10.329 -4.451 14.174 1.00 5.21 C ATOM 1166 C GLY A 76 -8.941 -4.786 14.725 1.00 6.26 C ATOM 1167 O GLY A 76 -8.830 -5.450 15.756 1.00 7.00 O ATOM 0 H GLY A 76 -10.571 -4.287 12.110 1.00 4.41 H new ATOM 0 HA2 GLY A 76 -10.459 -3.369 14.148 1.00 5.21 H new ATOM 0 HA3 GLY A 76 -11.092 -4.848 14.843 1.00 5.21 H new ATOM 1171 N ARG A 77 -7.919 -4.242 14.052 1.00 7.09 N ATOM 1172 CA ARG A 77 -6.498 -4.542 14.222 1.00 8.64 C ATOM 1173 C ARG A 77 -6.234 -6.048 14.197 1.00 8.72 C ATOM 1174 O ARG A 77 -6.860 -6.695 13.331 1.00 8.38 O ATOM 1175 CB ARG A 77 -5.815 -3.776 15.375 1.00 9.97 C ATOM 1176 CG ARG A 77 -6.252 -4.146 16.801 1.00 10.49 C ATOM 1177 CD ARG A 77 -7.395 -3.264 17.330 1.00 11.20 C ATOM 1178 NE ARG A 77 -8.415 -4.096 17.982 1.00 11.31 N ATOM 1179 CZ ARG A 77 -9.313 -3.696 18.891 1.00 12.33 C ATOM 1180 NH1 ARG A 77 -9.400 -2.401 19.215 1.00 13.36 N ATOM 1181 NH2 ARG A 77 -10.128 -4.590 19.461 1.00 12.60 N ATOM 1182 OXT ARG A 77 -5.386 -6.506 14.993 1.00 9.61 O ATOM 0 H ARG A 77 -8.076 -3.538 13.331 1.00 7.09 H new ATOM 0 HA ARG A 77 -5.990 -4.138 13.346 1.00 8.64 H new ATOM 0 HB2 ARG A 77 -4.739 -3.932 15.297 1.00 9.97 H new ATOM 0 HB3 ARG A 77 -5.994 -2.711 15.229 1.00 9.97 H new ATOM 0 HG2 ARG A 77 -6.568 -5.189 16.819 1.00 10.49 H new ATOM 0 HG3 ARG A 77 -5.396 -4.061 17.470 1.00 10.49 H new ATOM 0 HD2 ARG A 77 -7.003 -2.534 18.038 1.00 11.20 H new ATOM 0 HD3 ARG A 77 -7.842 -2.704 16.509 1.00 11.20 H new ATOM 0 HE ARG A 77 -8.442 -5.080 17.715 1.00 11.31 H new ATOM 0 HH11 ARG A 77 -8.783 -1.721 18.770 1.00 13.36 H new ATOM 0 HH12 ARG A 77 -10.083 -2.093 19.907 1.00 13.36 H new ATOM 0 HH21 ARG A 77 -10.065 -5.575 19.203 1.00 12.60 H new ATOM 0 HH22 ARG A 77 -10.813 -4.287 20.154 1.00 12.60 H new TER 1196 ARG A 77