USER MOD reduce.3.24.130724 H: found=0, std=0, add=1086, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 1081 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 Single : A 1 GLU N :NH3+ -156:sc= -0.151 (180deg=-0.73) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.0295 F(o=-0.7,f=-0.029) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0552 USER MOD Single : A 12 GLN : amide:sc= -0.942 K(o=-0.94,f=-2.6!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 20 SER OG : rot -177:sc= 1.59 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ -122:sc= 0.215 (180deg=-0.191) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 160:sc= -1 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.02 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 85:sc= 1.29 USER MOD Single : A 58 GLN : amide:sc= -0.132 X(o=-0.13,f=-0.6) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -1.25 K(o=-1.3,f=-2.3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -1.25 K(o=-1.3,f=-2.6!) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -2.83! C(o=-2.8!,f=-2.8!) USER MOD Single : A 81 LYS NZ :NH3+ -150:sc= -0.0983 (180deg=-0.54) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.394 K(o=-0.39,f=-3.5!) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 102 SER OG : rot 180:sc= 0.03 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 SER OG : rot 180:sc= -0.516 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 ASN : amide:sc=-0.00542 X(o=-0.0054,f=-0.27) USER MOD Single : A 121 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0938) USER MOD Single : A 122 THR OG1 : rot -73:sc= -0.616 USER MOD Single : A 124 MET CE :methyl 166:sc= -5.39! (180deg=-6.14!) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 128 TYR OH : rot -33:sc= 0.152 USER MOD Single : A 129 SER OG : rot 180:sc= -0.0181 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 180:sc= 0.0448 USER MOD Single : A 133 SER OG : rot 45:sc= 0.24 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -31.227 5.899 10.177 1.00 15.78 N ATOM 2 CA GLU A 1 -30.668 5.447 8.871 1.00 15.31 C ATOM 3 C GLU A 1 -30.416 6.662 7.976 1.00 13.63 C ATOM 4 O GLU A 1 -31.204 7.586 7.933 1.00 13.83 O ATOM 5 CB GLU A 1 -31.664 4.505 8.192 1.00 17.04 C ATOM 6 CG GLU A 1 -31.791 3.221 9.015 1.00 18.45 C ATOM 7 CD GLU A 1 -32.967 2.390 8.495 1.00 20.03 C ATOM 8 OE1 GLU A 1 -32.773 1.665 7.533 1.00 20.29 O ATOM 9 OE2 GLU A 1 -34.038 2.490 9.069 1.00 20.99 O ATOM 0 H1 GLU A 1 -31.026 5.186 10.906 1.00 15.78 H new ATOM 0 H2 GLU A 1 -30.790 6.803 10.447 1.00 15.78 H new ATOM 0 H3 GLU A 1 -32.256 6.024 10.090 1.00 15.78 H new ATOM 0 HA GLU A 1 -29.728 4.921 9.038 1.00 15.31 H new ATOM 0 HB2 GLU A 1 -32.636 4.990 8.101 1.00 17.04 H new ATOM 0 HB3 GLU A 1 -31.329 4.271 7.181 1.00 17.04 H new ATOM 0 HG2 GLU A 1 -30.869 2.644 8.951 1.00 18.45 H new ATOM 0 HG3 GLU A 1 -31.942 3.465 10.067 1.00 18.45 H new ATOM 18 N ALA A 2 -29.323 6.672 7.262 1.00 12.09 N ATOM 19 CA ALA A 2 -29.028 7.834 6.377 1.00 10.55 C ATOM 20 C ALA A 2 -27.822 7.517 5.490 1.00 9.07 C ATOM 21 O ALA A 2 -27.915 7.509 4.279 1.00 9.13 O ATOM 22 CB ALA A 2 -28.715 9.059 7.238 1.00 9.53 C ATOM 0 H ALA A 2 -28.624 5.929 7.253 1.00 12.09 H new ATOM 0 HA ALA A 2 -29.895 8.037 5.748 1.00 10.55 H new ATOM 0 HB1 ALA A 2 -28.499 9.911 6.594 1.00 9.53 H new ATOM 0 HB2 ALA A 2 -29.574 9.290 7.868 1.00 9.53 H new ATOM 0 HB3 ALA A 2 -27.849 8.850 7.866 1.00 9.53 H new ATOM 28 N GLU A 3 -26.687 7.264 6.081 1.00 8.00 N ATOM 29 CA GLU A 3 -25.479 6.957 5.265 1.00 6.63 C ATOM 30 C GLU A 3 -24.466 6.186 6.112 1.00 6.34 C ATOM 31 O GLU A 3 -24.050 6.636 7.162 1.00 6.02 O ATOM 32 CB GLU A 3 -24.845 8.265 4.789 1.00 4.99 C ATOM 33 CG GLU A 3 -25.112 8.453 3.295 1.00 5.40 C ATOM 34 CD GLU A 3 -23.872 8.043 2.499 1.00 5.65 C ATOM 35 OE1 GLU A 3 -22.777 8.343 2.948 1.00 5.29 O ATOM 36 OE2 GLU A 3 -24.037 7.434 1.454 1.00 6.62 O ATOM 0 H GLU A 3 -26.544 7.257 7.091 1.00 8.00 H new ATOM 0 HA GLU A 3 -25.768 6.352 4.406 1.00 6.63 H new ATOM 0 HB2 GLU A 3 -25.255 9.105 5.350 1.00 4.99 H new ATOM 0 HB3 GLU A 3 -23.772 8.250 4.977 1.00 4.99 H new ATOM 0 HG2 GLU A 3 -25.968 7.852 2.989 1.00 5.40 H new ATOM 0 HG3 GLU A 3 -25.363 9.493 3.088 1.00 5.40 H new ATOM 43 N ALA A 4 -24.058 5.030 5.661 1.00 6.80 N ATOM 44 CA ALA A 4 -23.066 4.241 6.442 1.00 6.89 C ATOM 45 C ALA A 4 -21.684 4.874 6.283 1.00 5.30 C ATOM 46 O ALA A 4 -21.122 5.403 7.221 1.00 4.70 O ATOM 47 CB ALA A 4 -23.037 2.798 5.933 1.00 8.26 C ATOM 0 H ALA A 4 -24.368 4.601 4.789 1.00 6.80 H new ATOM 0 HA ALA A 4 -23.347 4.240 7.495 1.00 6.89 H new ATOM 0 HB1 ALA A 4 -22.310 2.224 6.507 1.00 8.26 H new ATOM 0 HB2 ALA A 4 -24.025 2.351 6.049 1.00 8.26 H new ATOM 0 HB3 ALA A 4 -22.756 2.789 4.880 1.00 8.26 H new ATOM 53 N HIS A 5 -21.133 4.836 5.101 1.00 4.80 N ATOM 54 CA HIS A 5 -19.797 5.448 4.883 1.00 3.43 C ATOM 55 C HIS A 5 -19.834 6.252 3.585 1.00 2.36 C ATOM 56 O HIS A 5 -20.712 6.078 2.763 1.00 3.39 O ATOM 57 CB HIS A 5 -18.736 4.347 4.785 1.00 4.62 C ATOM 58 CG HIS A 5 -18.796 3.705 3.428 1.00 4.73 C ATOM 59 ND1 HIS A 5 -18.164 3.998 2.245 1.00 5.25 N flip ATOM 60 CD2 HIS A 5 -19.588 2.599 3.169 1.00 5.01 C flip ATOM 61 CE1 HIS A 5 -18.557 3.090 1.266 1.00 5.67 C flip ATOM 62 NE2 HIS A 5 -19.417 2.269 1.877 1.00 5.76 N flip ATOM 0 H HIS A 5 -21.553 4.406 4.277 1.00 4.80 H new ATOM 0 HA HIS A 5 -19.546 6.104 5.716 1.00 3.43 H new ATOM 0 HB2 HIS A 5 -17.745 4.768 4.955 1.00 4.62 H new ATOM 0 HB3 HIS A 5 -18.902 3.598 5.560 1.00 4.62 H new ATOM 0 HD2 HIS A 5 -20.228 2.093 3.877 1.00 5.01 H new ATOM 0 HE1 HIS A 5 -18.236 3.056 0.235 1.00 5.67 H new ATOM 0 HE2 HIS A 5 -19.886 1.488 1.419 1.00 5.76 H new ATOM 70 N LYS A 6 -18.896 7.136 3.392 1.00 0.93 N ATOM 71 CA LYS A 6 -18.894 7.952 2.143 1.00 1.52 C ATOM 72 C LYS A 6 -17.643 7.644 1.318 1.00 1.18 C ATOM 73 O LYS A 6 -16.648 8.337 1.390 1.00 1.71 O ATOM 74 CB LYS A 6 -18.930 9.447 2.487 1.00 2.49 C ATOM 75 CG LYS A 6 -18.118 9.716 3.754 1.00 1.72 C ATOM 76 CD LYS A 6 -19.033 9.605 4.976 1.00 1.55 C ATOM 77 CE LYS A 6 -18.405 10.347 6.157 1.00 2.66 C ATOM 78 NZ LYS A 6 -18.939 11.738 6.212 1.00 3.81 N ATOM 0 H LYS A 6 -18.133 7.330 4.041 1.00 0.93 H new ATOM 0 HA LYS A 6 -19.780 7.700 1.560 1.00 1.52 H new ATOM 0 HB2 LYS A 6 -18.527 10.028 1.658 1.00 2.49 H new ATOM 0 HB3 LYS A 6 -19.961 9.770 2.631 1.00 2.49 H new ATOM 0 HG2 LYS A 6 -17.299 9.001 3.833 1.00 1.72 H new ATOM 0 HG3 LYS A 6 -17.671 10.709 3.709 1.00 1.72 H new ATOM 0 HD2 LYS A 6 -20.013 10.026 4.749 1.00 1.55 H new ATOM 0 HD3 LYS A 6 -19.188 8.557 5.233 1.00 1.55 H new ATOM 0 HE2 LYS A 6 -18.626 9.824 7.088 1.00 2.66 H new ATOM 0 HE3 LYS A 6 -17.320 10.367 6.052 1.00 2.66 H new ATOM 0 HZ1 LYS A 6 -18.512 12.242 7.015 1.00 3.81 H new ATOM 0 HZ2 LYS A 6 -18.706 12.234 5.328 1.00 3.81 H new ATOM 0 HZ3 LYS A 6 -19.972 11.709 6.331 1.00 3.81 H new ATOM 92 N CYS A 7 -17.695 6.606 0.530 1.00 1.40 N ATOM 93 CA CYS A 7 -16.520 6.240 -0.317 1.00 1.05 C ATOM 94 C CYS A 7 -16.063 7.456 -1.135 1.00 0.74 C ATOM 95 O CYS A 7 -14.913 7.568 -1.518 1.00 0.28 O ATOM 96 CB CYS A 7 -16.930 5.113 -1.274 1.00 1.33 C ATOM 97 SG CYS A 7 -16.384 5.514 -2.958 1.00 1.72 S ATOM 0 H CYS A 7 -18.503 5.991 0.434 1.00 1.40 H new ATOM 0 HA CYS A 7 -15.700 5.912 0.322 1.00 1.05 H new ATOM 0 HB2 CYS A 7 -16.487 4.170 -0.952 1.00 1.33 H new ATOM 0 HB3 CYS A 7 -18.012 4.981 -1.254 1.00 1.33 H new ATOM 102 N ASP A 8 -16.962 8.356 -1.423 1.00 1.14 N ATOM 103 CA ASP A 8 -16.607 9.554 -2.240 1.00 1.03 C ATOM 104 C ASP A 8 -15.368 10.281 -1.693 1.00 0.83 C ATOM 105 O ASP A 8 -14.534 10.730 -2.449 1.00 0.89 O ATOM 106 CB ASP A 8 -17.794 10.520 -2.248 1.00 1.26 C ATOM 107 CG ASP A 8 -18.920 9.943 -3.106 1.00 2.01 C ATOM 108 OD1 ASP A 8 -19.251 8.784 -2.913 1.00 2.69 O ATOM 109 OD2 ASP A 8 -19.434 10.669 -3.940 1.00 2.46 O ATOM 0 H ASP A 8 -17.937 8.314 -1.125 1.00 1.14 H new ATOM 0 HA ASP A 8 -16.374 9.215 -3.249 1.00 1.03 H new ATOM 0 HB2 ASP A 8 -18.147 10.686 -1.230 1.00 1.26 H new ATOM 0 HB3 ASP A 8 -17.485 11.489 -2.640 1.00 1.26 H new ATOM 114 N ILE A 9 -15.253 10.452 -0.406 1.00 1.02 N ATOM 115 CA ILE A 9 -14.066 11.208 0.122 1.00 1.19 C ATOM 116 C ILE A 9 -12.874 10.288 0.480 1.00 1.21 C ATOM 117 O ILE A 9 -11.926 10.175 -0.271 1.00 1.31 O ATOM 118 CB ILE A 9 -14.470 12.087 1.331 1.00 1.55 C ATOM 119 CG1 ILE A 9 -13.226 12.427 2.162 1.00 2.78 C ATOM 120 CG2 ILE A 9 -15.510 11.393 2.225 1.00 3.87 C ATOM 121 CD1 ILE A 9 -13.444 13.755 2.894 1.00 2.98 C ATOM 0 H ILE A 9 -15.910 10.112 0.296 1.00 1.02 H new ATOM 0 HA ILE A 9 -13.723 11.855 -0.685 1.00 1.19 H new ATOM 0 HB ILE A 9 -14.922 12.999 0.940 1.00 1.55 H new ATOM 0 HG12 ILE A 9 -13.028 11.632 2.881 1.00 2.78 H new ATOM 0 HG13 ILE A 9 -12.352 12.496 1.515 1.00 2.78 H new ATOM 0 HG21 ILE A 9 -15.765 12.045 3.061 1.00 3.87 H new ATOM 0 HG22 ILE A 9 -16.407 11.182 1.643 1.00 3.87 H new ATOM 0 HG23 ILE A 9 -15.097 10.459 2.606 1.00 3.87 H new ATOM 0 HD11 ILE A 9 -12.559 13.995 3.484 1.00 2.98 H new ATOM 0 HD12 ILE A 9 -13.621 14.547 2.166 1.00 2.98 H new ATOM 0 HD13 ILE A 9 -14.308 13.669 3.554 1.00 2.98 H new ATOM 133 N THR A 10 -12.887 9.686 1.638 1.00 1.14 N ATOM 134 CA THR A 10 -11.737 8.836 2.086 1.00 1.17 C ATOM 135 C THR A 10 -11.252 7.852 1.015 1.00 1.04 C ATOM 136 O THR A 10 -10.074 7.576 0.930 1.00 1.15 O ATOM 137 CB THR A 10 -12.156 8.043 3.322 1.00 1.27 C ATOM 138 OG1 THR A 10 -12.966 8.856 4.158 1.00 1.58 O ATOM 139 CG2 THR A 10 -10.908 7.601 4.089 1.00 1.16 C ATOM 0 H THR A 10 -13.656 9.746 2.306 1.00 1.14 H new ATOM 0 HA THR A 10 -10.910 9.513 2.300 1.00 1.17 H new ATOM 0 HB THR A 10 -12.724 7.165 3.015 1.00 1.27 H new ATOM 0 HG1 THR A 10 -13.235 8.345 4.950 1.00 1.58 H new ATOM 0 HG21 THR A 10 -11.205 7.035 4.972 1.00 1.16 H new ATOM 0 HG22 THR A 10 -10.289 6.974 3.447 1.00 1.16 H new ATOM 0 HG23 THR A 10 -10.339 8.479 4.396 1.00 1.16 H new ATOM 147 N LEU A 11 -12.121 7.277 0.234 1.00 0.86 N ATOM 148 CA LEU A 11 -11.639 6.274 -0.763 1.00 0.75 C ATOM 149 C LEU A 11 -11.125 6.934 -2.047 1.00 0.74 C ATOM 150 O LEU A 11 -10.314 6.366 -2.749 1.00 0.82 O ATOM 151 CB LEU A 11 -12.768 5.298 -1.094 1.00 0.73 C ATOM 152 CG LEU A 11 -12.306 3.872 -0.773 1.00 0.64 C ATOM 153 CD1 LEU A 11 -11.959 3.764 0.715 1.00 0.55 C ATOM 154 CD2 LEU A 11 -13.422 2.880 -1.100 1.00 1.05 C ATOM 0 H LEU A 11 -13.126 7.451 0.238 1.00 0.86 H new ATOM 0 HA LEU A 11 -10.801 5.739 -0.316 1.00 0.75 H new ATOM 0 HB2 LEU A 11 -13.659 5.544 -0.517 1.00 0.73 H new ATOM 0 HB3 LEU A 11 -13.038 5.378 -2.147 1.00 0.73 H new ATOM 0 HG LEU A 11 -11.425 3.641 -1.373 1.00 0.64 H new ATOM 0 HD11 LEU A 11 -11.631 2.749 0.939 1.00 0.55 H new ATOM 0 HD12 LEU A 11 -11.159 4.465 0.954 1.00 0.55 H new ATOM 0 HD13 LEU A 11 -12.840 4.001 1.312 1.00 0.55 H new ATOM 0 HD21 LEU A 11 -13.088 1.868 -0.870 1.00 1.05 H new ATOM 0 HD22 LEU A 11 -14.304 3.115 -0.504 1.00 1.05 H new ATOM 0 HD23 LEU A 11 -13.671 2.948 -2.159 1.00 1.05 H new ATOM 166 N GLN A 12 -11.564 8.111 -2.379 1.00 0.67 N ATOM 167 CA GLN A 12 -11.048 8.735 -3.630 1.00 0.66 C ATOM 168 C GLN A 12 -9.639 9.279 -3.371 1.00 0.71 C ATOM 169 O GLN A 12 -8.800 9.314 -4.252 1.00 0.75 O ATOM 170 CB GLN A 12 -12.019 9.836 -4.099 1.00 0.73 C ATOM 171 CG GLN A 12 -11.482 11.247 -3.807 1.00 0.95 C ATOM 172 CD GLN A 12 -10.597 11.706 -4.968 1.00 1.50 C ATOM 173 OE1 GLN A 12 -10.833 11.340 -6.103 1.00 1.79 O ATOM 174 NE2 GLN A 12 -9.590 12.502 -4.736 1.00 2.70 N ATOM 0 H GLN A 12 -12.243 8.661 -1.853 1.00 0.67 H new ATOM 0 HA GLN A 12 -10.983 7.997 -4.429 1.00 0.66 H new ATOM 0 HB2 GLN A 12 -12.195 9.731 -5.169 1.00 0.73 H new ATOM 0 HB3 GLN A 12 -12.981 9.705 -3.603 1.00 0.73 H new ATOM 0 HG2 GLN A 12 -12.310 11.942 -3.670 1.00 0.95 H new ATOM 0 HG3 GLN A 12 -10.911 11.245 -2.879 1.00 0.95 H new ATOM 0 HE21 GLN A 12 -9.392 12.809 -3.784 1.00 2.70 H new ATOM 0 HE22 GLN A 12 -9.001 12.817 -5.507 1.00 2.70 H new ATOM 183 N GLU A 13 -9.362 9.679 -2.158 1.00 0.86 N ATOM 184 CA GLU A 13 -8.004 10.193 -1.835 1.00 0.92 C ATOM 185 C GLU A 13 -7.101 9.006 -1.496 1.00 0.98 C ATOM 186 O GLU A 13 -5.920 9.013 -1.772 1.00 1.02 O ATOM 187 CB GLU A 13 -8.086 11.146 -0.643 1.00 0.95 C ATOM 188 CG GLU A 13 -8.467 12.542 -1.139 1.00 1.52 C ATOM 189 CD GLU A 13 -7.967 13.596 -0.149 1.00 1.48 C ATOM 190 OE1 GLU A 13 -6.769 13.652 0.071 1.00 1.03 O ATOM 191 OE2 GLU A 13 -8.793 14.329 0.369 1.00 2.53 O ATOM 0 H GLU A 13 -10.020 9.671 -1.378 1.00 0.86 H new ATOM 0 HA GLU A 13 -7.595 10.735 -2.688 1.00 0.92 H new ATOM 0 HB2 GLU A 13 -8.825 10.788 0.074 1.00 0.95 H new ATOM 0 HB3 GLU A 13 -7.128 11.181 -0.123 1.00 0.95 H new ATOM 0 HG2 GLU A 13 -8.034 12.719 -2.123 1.00 1.52 H new ATOM 0 HG3 GLU A 13 -9.549 12.617 -1.249 1.00 1.52 H new ATOM 198 N ILE A 14 -7.656 7.973 -0.919 1.00 0.99 N ATOM 199 CA ILE A 14 -6.835 6.776 -0.590 1.00 1.03 C ATOM 200 C ILE A 14 -6.341 6.169 -1.904 1.00 0.92 C ATOM 201 O ILE A 14 -5.237 5.669 -1.999 1.00 0.89 O ATOM 202 CB ILE A 14 -7.696 5.757 0.171 1.00 1.02 C ATOM 203 CG1 ILE A 14 -7.310 5.763 1.654 1.00 1.20 C ATOM 204 CG2 ILE A 14 -7.474 4.356 -0.406 1.00 0.90 C ATOM 205 CD1 ILE A 14 -8.565 5.583 2.513 1.00 1.31 C ATOM 0 H ILE A 14 -8.641 7.908 -0.662 1.00 0.99 H new ATOM 0 HA ILE A 14 -5.988 7.051 0.038 1.00 1.03 H new ATOM 0 HB ILE A 14 -8.746 6.029 0.066 1.00 1.02 H new ATOM 0 HG12 ILE A 14 -6.599 4.962 1.858 1.00 1.20 H new ATOM 0 HG13 ILE A 14 -6.815 6.701 1.907 1.00 1.20 H new ATOM 0 HG21 ILE A 14 -8.087 3.637 0.138 1.00 0.90 H new ATOM 0 HG22 ILE A 14 -7.753 4.348 -1.460 1.00 0.90 H new ATOM 0 HG23 ILE A 14 -6.423 4.084 -0.307 1.00 0.90 H new ATOM 0 HD11 ILE A 14 -8.288 5.588 3.567 1.00 1.31 H new ATOM 0 HD12 ILE A 14 -9.260 6.399 2.317 1.00 1.31 H new ATOM 0 HD13 ILE A 14 -9.041 4.634 2.267 1.00 1.31 H new ATOM 217 N ILE A 15 -7.153 6.231 -2.928 1.00 0.88 N ATOM 218 CA ILE A 15 -6.740 5.683 -4.251 1.00 0.78 C ATOM 219 C ILE A 15 -5.667 6.593 -4.840 1.00 0.88 C ATOM 220 O ILE A 15 -4.672 6.138 -5.367 1.00 0.85 O ATOM 221 CB ILE A 15 -7.944 5.656 -5.195 1.00 0.70 C ATOM 222 CG1 ILE A 15 -8.614 4.284 -5.140 1.00 0.56 C ATOM 223 CG2 ILE A 15 -7.481 5.932 -6.625 1.00 0.64 C ATOM 224 CD1 ILE A 15 -8.712 3.821 -3.689 1.00 2.27 C ATOM 0 H ILE A 15 -8.087 6.639 -2.903 1.00 0.88 H new ATOM 0 HA ILE A 15 -6.355 4.671 -4.128 1.00 0.78 H new ATOM 0 HB ILE A 15 -8.656 6.421 -4.886 1.00 0.70 H new ATOM 0 HG12 ILE A 15 -9.608 4.335 -5.584 1.00 0.56 H new ATOM 0 HG13 ILE A 15 -8.041 3.564 -5.724 1.00 0.56 H new ATOM 0 HG21 ILE A 15 -8.340 5.912 -7.296 1.00 0.64 H new ATOM 0 HG22 ILE A 15 -7.007 6.912 -6.671 1.00 0.64 H new ATOM 0 HG23 ILE A 15 -6.765 5.168 -6.930 1.00 0.64 H new ATOM 0 HD11 ILE A 15 -9.190 2.842 -3.651 1.00 2.27 H new ATOM 0 HD12 ILE A 15 -7.712 3.753 -3.260 1.00 2.27 H new ATOM 0 HD13 ILE A 15 -9.304 4.536 -3.118 1.00 2.27 H new ATOM 236 N LYS A 16 -5.864 7.880 -4.755 1.00 1.04 N ATOM 237 CA LYS A 16 -4.853 8.822 -5.308 1.00 1.18 C ATOM 238 C LYS A 16 -3.488 8.517 -4.686 1.00 1.13 C ATOM 239 O LYS A 16 -2.462 8.637 -5.326 1.00 1.20 O ATOM 240 CB LYS A 16 -5.259 10.261 -4.981 1.00 1.40 C ATOM 241 CG LYS A 16 -4.169 11.221 -5.465 1.00 1.98 C ATOM 242 CD LYS A 16 -4.812 12.382 -6.224 1.00 1.60 C ATOM 243 CE LYS A 16 -5.515 13.314 -5.234 1.00 2.23 C ATOM 244 NZ LYS A 16 -5.395 14.723 -5.705 1.00 2.83 N ATOM 0 H LYS A 16 -6.680 8.318 -4.327 1.00 1.04 H new ATOM 0 HA LYS A 16 -4.795 8.704 -6.390 1.00 1.18 H new ATOM 0 HB2 LYS A 16 -6.208 10.500 -5.460 1.00 1.40 H new ATOM 0 HB3 LYS A 16 -5.407 10.373 -3.907 1.00 1.40 H new ATOM 0 HG2 LYS A 16 -3.599 11.599 -4.616 1.00 1.98 H new ATOM 0 HG3 LYS A 16 -3.467 10.695 -6.111 1.00 1.98 H new ATOM 0 HD2 LYS A 16 -4.053 12.931 -6.780 1.00 1.60 H new ATOM 0 HD3 LYS A 16 -5.528 12.002 -6.953 1.00 1.60 H new ATOM 0 HE2 LYS A 16 -6.566 13.038 -5.142 1.00 2.23 H new ATOM 0 HE3 LYS A 16 -5.071 13.211 -4.244 1.00 2.23 H new ATOM 0 HZ1 LYS A 16 -5.873 15.356 -5.032 1.00 2.83 H new ATOM 0 HZ2 LYS A 16 -4.390 14.983 -5.771 1.00 2.83 H new ATOM 0 HZ3 LYS A 16 -5.838 14.815 -6.641 1.00 2.83 H new ATOM 258 N THR A 17 -3.469 8.114 -3.445 1.00 1.11 N ATOM 259 CA THR A 17 -2.174 7.790 -2.781 1.00 1.06 C ATOM 260 C THR A 17 -1.618 6.494 -3.379 1.00 0.80 C ATOM 261 O THR A 17 -0.438 6.374 -3.652 1.00 0.70 O ATOM 262 CB THR A 17 -2.410 7.614 -1.275 1.00 1.14 C ATOM 263 OG1 THR A 17 -3.327 8.604 -0.826 1.00 1.39 O ATOM 264 CG2 THR A 17 -1.086 7.767 -0.523 1.00 1.13 C ATOM 0 H THR A 17 -4.296 7.995 -2.861 1.00 1.11 H new ATOM 0 HA THR A 17 -1.458 8.597 -2.939 1.00 1.06 H new ATOM 0 HB THR A 17 -2.818 6.621 -1.085 1.00 1.14 H new ATOM 0 HG1 THR A 17 -3.482 8.494 0.135 1.00 1.39 H new ATOM 0 HG21 THR A 17 -1.258 7.641 0.546 1.00 1.13 H new ATOM 0 HG22 THR A 17 -0.382 7.010 -0.869 1.00 1.13 H new ATOM 0 HG23 THR A 17 -0.674 8.759 -0.710 1.00 1.13 H new ATOM 272 N LEU A 18 -2.468 5.527 -3.594 1.00 0.73 N ATOM 273 CA LEU A 18 -2.017 4.231 -4.183 1.00 0.50 C ATOM 274 C LEU A 18 -1.286 4.492 -5.503 1.00 0.53 C ATOM 275 O LEU A 18 -0.312 3.840 -5.824 1.00 0.47 O ATOM 276 CB LEU A 18 -3.247 3.357 -4.453 1.00 0.43 C ATOM 277 CG LEU A 18 -2.912 1.887 -4.209 1.00 0.46 C ATOM 278 CD1 LEU A 18 -1.717 1.488 -5.071 1.00 0.64 C ATOM 279 CD2 LEU A 18 -2.573 1.683 -2.732 1.00 1.44 C ATOM 0 H LEU A 18 -3.465 5.579 -3.385 1.00 0.73 H new ATOM 0 HA LEU A 18 -1.342 3.727 -3.491 1.00 0.50 H new ATOM 0 HB2 LEU A 18 -4.069 3.663 -3.806 1.00 0.43 H new ATOM 0 HB3 LEU A 18 -3.582 3.496 -5.481 1.00 0.43 H new ATOM 0 HG LEU A 18 -3.769 1.267 -4.473 1.00 0.46 H new ATOM 0 HD11 LEU A 18 -1.477 0.439 -4.897 1.00 0.64 H new ATOM 0 HD12 LEU A 18 -1.962 1.635 -6.123 1.00 0.64 H new ATOM 0 HD13 LEU A 18 -0.857 2.105 -4.809 1.00 0.64 H new ATOM 0 HD21 LEU A 18 -2.333 0.634 -2.555 1.00 1.44 H new ATOM 0 HD22 LEU A 18 -1.715 2.301 -2.467 1.00 1.44 H new ATOM 0 HD23 LEU A 18 -3.428 1.968 -2.120 1.00 1.44 H new ATOM 291 N ASN A 19 -1.753 5.435 -6.275 1.00 0.74 N ATOM 292 CA ASN A 19 -1.091 5.732 -7.578 1.00 0.89 C ATOM 293 C ASN A 19 0.232 6.455 -7.328 1.00 0.95 C ATOM 294 O ASN A 19 1.209 6.244 -8.020 1.00 0.98 O ATOM 295 CB ASN A 19 -2.003 6.626 -8.424 1.00 1.09 C ATOM 296 CG ASN A 19 -1.417 6.773 -9.829 1.00 1.18 C ATOM 297 OD1 ASN A 19 -0.674 7.696 -10.097 1.00 2.56 O ATOM 298 ND2 ASN A 19 -1.725 5.898 -10.746 1.00 0.15 N ATOM 0 H ASN A 19 -2.565 6.013 -6.060 1.00 0.74 H new ATOM 0 HA ASN A 19 -0.902 4.798 -8.106 1.00 0.89 H new ATOM 0 HB2 ASN A 19 -3.002 6.195 -8.479 1.00 1.09 H new ATOM 0 HB3 ASN A 19 -2.104 7.606 -7.957 1.00 1.09 H new ATOM 0 HD21 ASN A 19 -1.342 5.989 -11.687 1.00 0.15 H new ATOM 0 HD22 ASN A 19 -2.349 5.123 -10.522 1.00 0.15 H new ATOM 305 N SER A 20 0.272 7.315 -6.351 1.00 0.99 N ATOM 306 CA SER A 20 1.531 8.058 -6.066 1.00 1.06 C ATOM 307 C SER A 20 2.679 7.071 -5.845 1.00 0.86 C ATOM 308 O SER A 20 3.802 7.316 -6.243 1.00 0.93 O ATOM 309 CB SER A 20 1.354 8.906 -4.809 1.00 1.13 C ATOM 310 OG SER A 20 2.579 8.927 -4.087 1.00 1.99 O ATOM 0 H SER A 20 -0.512 7.536 -5.737 1.00 0.99 H new ATOM 0 HA SER A 20 1.762 8.701 -6.915 1.00 1.06 H new ATOM 0 HB2 SER A 20 1.058 9.920 -5.078 1.00 1.13 H new ATOM 0 HB3 SER A 20 0.558 8.496 -4.188 1.00 1.13 H new ATOM 0 HG SER A 20 2.460 9.431 -3.255 1.00 1.99 H new ATOM 316 N LEU A 21 2.416 5.963 -5.203 1.00 0.63 N ATOM 317 CA LEU A 21 3.508 4.977 -4.952 1.00 0.49 C ATOM 318 C LEU A 21 3.880 4.265 -6.255 1.00 0.68 C ATOM 319 O LEU A 21 5.004 3.853 -6.442 1.00 0.88 O ATOM 320 CB LEU A 21 3.053 3.938 -3.912 1.00 0.25 C ATOM 321 CG LEU A 21 2.557 4.651 -2.655 1.00 0.70 C ATOM 322 CD1 LEU A 21 2.178 3.609 -1.600 1.00 0.80 C ATOM 323 CD2 LEU A 21 3.670 5.549 -2.110 1.00 1.35 C ATOM 0 H LEU A 21 1.499 5.699 -4.844 1.00 0.63 H new ATOM 0 HA LEU A 21 4.379 5.510 -4.570 1.00 0.49 H new ATOM 0 HB2 LEU A 21 2.259 3.317 -4.327 1.00 0.25 H new ATOM 0 HB3 LEU A 21 3.880 3.273 -3.662 1.00 0.25 H new ATOM 0 HG LEU A 21 1.685 5.259 -2.896 1.00 0.70 H new ATOM 0 HD11 LEU A 21 1.823 4.114 -0.701 1.00 0.80 H new ATOM 0 HD12 LEU A 21 1.389 2.966 -1.990 1.00 0.80 H new ATOM 0 HD13 LEU A 21 3.051 3.004 -1.356 1.00 0.80 H new ATOM 0 HD21 LEU A 21 3.319 6.059 -1.213 1.00 1.35 H new ATOM 0 HD22 LEU A 21 4.541 4.941 -1.865 1.00 1.35 H new ATOM 0 HD23 LEU A 21 3.944 6.287 -2.864 1.00 1.35 H new ATOM 335 N THR A 22 2.946 4.108 -7.152 1.00 0.76 N ATOM 336 CA THR A 22 3.248 3.406 -8.438 1.00 0.95 C ATOM 337 C THR A 22 4.306 4.167 -9.248 1.00 1.00 C ATOM 338 O THR A 22 4.910 3.622 -10.149 1.00 0.96 O ATOM 339 CB THR A 22 1.969 3.297 -9.271 1.00 1.14 C ATOM 340 OG1 THR A 22 1.115 2.316 -8.700 1.00 0.84 O ATOM 341 CG2 THR A 22 2.322 2.896 -10.706 1.00 1.59 C ATOM 0 H THR A 22 1.985 4.435 -7.053 1.00 0.76 H new ATOM 0 HA THR A 22 3.634 2.414 -8.202 1.00 0.95 H new ATOM 0 HB THR A 22 1.460 4.261 -9.281 1.00 1.14 H new ATOM 0 HG1 THR A 22 0.295 2.247 -9.232 1.00 0.84 H new ATOM 0 HG21 THR A 22 1.409 2.819 -11.297 1.00 1.59 H new ATOM 0 HG22 THR A 22 2.976 3.650 -11.144 1.00 1.59 H new ATOM 0 HG23 THR A 22 2.832 1.933 -10.700 1.00 1.59 H new ATOM 349 N GLU A 23 4.532 5.421 -8.958 1.00 1.10 N ATOM 350 CA GLU A 23 5.545 6.188 -9.742 1.00 1.16 C ATOM 351 C GLU A 23 6.921 5.523 -9.624 1.00 1.15 C ATOM 352 O GLU A 23 7.770 5.686 -10.478 1.00 1.33 O ATOM 353 CB GLU A 23 5.632 7.623 -9.220 1.00 1.17 C ATOM 354 CG GLU A 23 6.492 8.452 -10.178 1.00 1.04 C ATOM 355 CD GLU A 23 6.680 9.863 -9.618 1.00 1.64 C ATOM 356 OE1 GLU A 23 5.683 10.502 -9.328 1.00 2.33 O ATOM 357 OE2 GLU A 23 7.819 10.282 -9.494 1.00 1.98 O ATOM 0 H GLU A 23 4.063 5.944 -8.218 1.00 1.10 H new ATOM 0 HA GLU A 23 5.239 6.198 -10.788 1.00 1.16 H new ATOM 0 HB2 GLU A 23 4.635 8.055 -9.140 1.00 1.17 H new ATOM 0 HB3 GLU A 23 6.065 7.634 -8.220 1.00 1.17 H new ATOM 0 HG2 GLU A 23 7.462 7.974 -10.317 1.00 1.04 H new ATOM 0 HG3 GLU A 23 6.017 8.500 -11.158 1.00 1.04 H new ATOM 364 N GLN A 24 7.156 4.788 -8.573 1.00 1.00 N ATOM 365 CA GLN A 24 8.486 4.134 -8.405 1.00 0.99 C ATOM 366 C GLN A 24 8.338 2.852 -7.581 1.00 1.06 C ATOM 367 O GLN A 24 8.949 2.697 -6.544 1.00 1.15 O ATOM 368 CB GLN A 24 9.417 5.101 -7.674 1.00 1.18 C ATOM 369 CG GLN A 24 10.871 4.732 -7.958 1.00 0.62 C ATOM 370 CD GLN A 24 11.614 4.535 -6.635 1.00 0.80 C ATOM 371 OE1 GLN A 24 12.046 3.443 -6.324 1.00 1.81 O ATOM 372 NE2 GLN A 24 11.780 5.552 -5.833 1.00 1.41 N ATOM 0 H GLN A 24 6.487 4.611 -7.824 1.00 1.00 H new ATOM 0 HA GLN A 24 8.896 3.881 -9.383 1.00 0.99 H new ATOM 0 HB2 GLN A 24 9.222 6.123 -7.998 1.00 1.18 H new ATOM 0 HB3 GLN A 24 9.226 5.064 -6.602 1.00 1.18 H new ATOM 0 HG2 GLN A 24 10.917 3.820 -8.553 1.00 0.62 H new ATOM 0 HG3 GLN A 24 11.349 5.518 -8.543 1.00 0.62 H new ATOM 0 HE21 GLN A 24 11.418 6.470 -6.092 1.00 1.41 H new ATOM 0 HE22 GLN A 24 12.271 5.429 -4.948 1.00 1.41 H new ATOM 381 N LYS A 25 7.534 1.931 -8.036 1.00 1.26 N ATOM 382 CA LYS A 25 7.356 0.660 -7.275 1.00 1.55 C ATOM 383 C LYS A 25 7.690 -0.539 -8.167 1.00 1.71 C ATOM 384 O LYS A 25 6.841 -1.355 -8.467 1.00 2.29 O ATOM 385 CB LYS A 25 5.911 0.537 -6.795 1.00 2.26 C ATOM 386 CG LYS A 25 5.709 1.388 -5.540 1.00 3.95 C ATOM 387 CD LYS A 25 6.072 0.577 -4.297 1.00 5.05 C ATOM 388 CE LYS A 25 6.560 1.526 -3.199 1.00 6.65 C ATOM 389 NZ LYS A 25 5.899 1.191 -1.904 1.00 7.72 N ATOM 0 H LYS A 25 6.994 2.002 -8.898 1.00 1.26 H new ATOM 0 HA LYS A 25 8.027 0.673 -6.416 1.00 1.55 H new ATOM 0 HB2 LYS A 25 5.228 0.862 -7.580 1.00 2.26 H new ATOM 0 HB3 LYS A 25 5.677 -0.506 -6.580 1.00 2.26 H new ATOM 0 HG2 LYS A 25 6.328 2.284 -5.594 1.00 3.95 H new ATOM 0 HG3 LYS A 25 4.673 1.720 -5.478 1.00 3.95 H new ATOM 0 HD2 LYS A 25 5.205 0.015 -3.949 1.00 5.05 H new ATOM 0 HD3 LYS A 25 6.848 -0.150 -4.537 1.00 5.05 H new ATOM 0 HE2 LYS A 25 7.642 1.449 -3.095 1.00 6.65 H new ATOM 0 HE3 LYS A 25 6.339 2.557 -3.474 1.00 6.65 H new ATOM 0 HZ1 LYS A 25 5.387 2.024 -1.550 1.00 7.72 H new ATOM 0 HZ2 LYS A 25 5.230 0.408 -2.048 1.00 7.72 H new ATOM 0 HZ3 LYS A 25 6.619 0.907 -1.210 1.00 7.72 H new ATOM 403 N THR A 26 8.920 -0.662 -8.582 1.00 1.37 N ATOM 404 CA THR A 26 9.308 -1.817 -9.440 1.00 1.79 C ATOM 405 C THR A 26 10.738 -2.235 -9.094 1.00 1.59 C ATOM 406 O THR A 26 11.030 -3.400 -8.909 1.00 1.69 O ATOM 407 CB THR A 26 9.227 -1.418 -10.916 1.00 2.21 C ATOM 408 OG1 THR A 26 9.564 -0.045 -11.054 1.00 1.60 O ATOM 409 CG2 THR A 26 7.805 -1.650 -11.427 1.00 3.56 C ATOM 0 H THR A 26 9.675 -0.012 -8.364 1.00 1.37 H new ATOM 0 HA THR A 26 8.628 -2.651 -9.263 1.00 1.79 H new ATOM 0 HB THR A 26 9.924 -2.022 -11.496 1.00 2.21 H new ATOM 0 HG1 THR A 26 9.514 0.211 -11.999 1.00 1.60 H new ATOM 0 HG21 THR A 26 7.745 -1.366 -12.478 1.00 3.56 H new ATOM 0 HG22 THR A 26 7.547 -2.704 -11.320 1.00 3.56 H new ATOM 0 HG23 THR A 26 7.107 -1.045 -10.848 1.00 3.56 H new ATOM 417 N LEU A 27 11.628 -1.287 -8.992 1.00 1.42 N ATOM 418 CA LEU A 27 13.037 -1.616 -8.641 1.00 1.51 C ATOM 419 C LEU A 27 13.116 -1.903 -7.141 1.00 1.17 C ATOM 420 O LEU A 27 13.622 -2.922 -6.718 1.00 1.41 O ATOM 421 CB LEU A 27 13.931 -0.422 -8.988 1.00 1.66 C ATOM 422 CG LEU A 27 15.400 -0.857 -8.987 1.00 1.52 C ATOM 423 CD1 LEU A 27 15.731 -1.562 -10.305 1.00 2.35 C ATOM 424 CD2 LEU A 27 16.297 0.375 -8.838 1.00 1.58 C ATOM 0 H LEU A 27 11.439 -0.295 -9.137 1.00 1.42 H new ATOM 0 HA LEU A 27 13.372 -2.491 -9.199 1.00 1.51 H new ATOM 0 HB2 LEU A 27 13.660 -0.025 -9.966 1.00 1.66 H new ATOM 0 HB3 LEU A 27 13.779 0.380 -8.266 1.00 1.66 H new ATOM 0 HG LEU A 27 15.571 -1.540 -8.155 1.00 1.52 H new ATOM 0 HD11 LEU A 27 16.777 -1.870 -10.300 1.00 2.35 H new ATOM 0 HD12 LEU A 27 15.095 -2.440 -10.418 1.00 2.35 H new ATOM 0 HD13 LEU A 27 15.558 -0.879 -11.137 1.00 2.35 H new ATOM 0 HD21 LEU A 27 17.342 0.066 -8.837 1.00 1.58 H new ATOM 0 HD22 LEU A 27 16.121 1.056 -9.670 1.00 1.58 H new ATOM 0 HD23 LEU A 27 16.067 0.881 -7.900 1.00 1.58 H new ATOM 436 N CYS A 28 12.608 -1.014 -6.336 1.00 0.70 N ATOM 437 CA CYS A 28 12.640 -1.235 -4.862 1.00 0.59 C ATOM 438 C CYS A 28 11.617 -2.314 -4.465 1.00 0.28 C ATOM 439 O CYS A 28 11.609 -2.782 -3.343 1.00 0.36 O ATOM 440 CB CYS A 28 12.303 0.074 -4.148 1.00 0.59 C ATOM 441 SG CYS A 28 13.721 0.607 -3.158 1.00 1.15 S ATOM 0 H CYS A 28 12.171 -0.142 -6.634 1.00 0.70 H new ATOM 0 HA CYS A 28 13.636 -1.568 -4.572 1.00 0.59 H new ATOM 0 HB2 CYS A 28 12.046 0.842 -4.877 1.00 0.59 H new ATOM 0 HB3 CYS A 28 11.431 -0.063 -3.509 1.00 0.59 H new ATOM 446 N THR A 29 10.754 -2.715 -5.368 1.00 0.21 N ATOM 447 CA THR A 29 9.745 -3.761 -5.031 1.00 0.29 C ATOM 448 C THR A 29 10.309 -5.157 -5.323 1.00 0.37 C ATOM 449 O THR A 29 9.590 -6.135 -5.319 1.00 0.50 O ATOM 450 CB THR A 29 8.493 -3.541 -5.883 1.00 0.65 C ATOM 451 OG1 THR A 29 8.822 -3.700 -7.256 1.00 0.90 O ATOM 452 CG2 THR A 29 7.961 -2.131 -5.647 1.00 0.52 C ATOM 0 H THR A 29 10.707 -2.361 -6.323 1.00 0.21 H new ATOM 0 HA THR A 29 9.499 -3.690 -3.972 1.00 0.29 H new ATOM 0 HB THR A 29 7.730 -4.269 -5.606 1.00 0.65 H new ATOM 0 HG1 THR A 29 8.007 -3.879 -7.769 1.00 0.90 H new ATOM 0 HG21 THR A 29 7.069 -1.972 -6.253 1.00 0.52 H new ATOM 0 HG22 THR A 29 7.710 -2.008 -4.593 1.00 0.52 H new ATOM 0 HG23 THR A 29 8.723 -1.403 -5.926 1.00 0.52 H new ATOM 460 N GLU A 30 11.584 -5.265 -5.592 1.00 0.47 N ATOM 461 CA GLU A 30 12.169 -6.598 -5.899 1.00 0.69 C ATOM 462 C GLU A 30 12.636 -7.298 -4.618 1.00 0.58 C ATOM 463 O GLU A 30 13.373 -8.263 -4.670 1.00 1.04 O ATOM 464 CB GLU A 30 13.350 -6.408 -6.854 1.00 1.05 C ATOM 465 CG GLU A 30 13.001 -7.007 -8.215 1.00 2.66 C ATOM 466 CD GLU A 30 13.391 -8.485 -8.238 1.00 3.53 C ATOM 467 OE1 GLU A 30 13.293 -9.118 -7.199 1.00 3.67 O ATOM 468 OE2 GLU A 30 13.781 -8.960 -9.292 1.00 4.51 O ATOM 0 H GLU A 30 12.243 -4.487 -5.612 1.00 0.47 H new ATOM 0 HA GLU A 30 11.409 -7.225 -6.365 1.00 0.69 H new ATOM 0 HB2 GLU A 30 13.581 -5.348 -6.959 1.00 1.05 H new ATOM 0 HB3 GLU A 30 14.240 -6.889 -6.450 1.00 1.05 H new ATOM 0 HG2 GLU A 30 11.934 -6.899 -8.409 1.00 2.66 H new ATOM 0 HG3 GLU A 30 13.525 -6.470 -9.006 1.00 2.66 H new ATOM 475 N LEU A 31 12.195 -6.855 -3.468 1.00 0.22 N ATOM 476 CA LEU A 31 12.602 -7.538 -2.215 1.00 0.52 C ATOM 477 C LEU A 31 11.556 -8.629 -1.928 1.00 0.69 C ATOM 478 O LEU A 31 11.468 -9.587 -2.666 1.00 1.88 O ATOM 479 CB LEU A 31 12.689 -6.516 -1.074 1.00 0.55 C ATOM 480 CG LEU A 31 13.792 -5.499 -1.384 1.00 0.85 C ATOM 481 CD1 LEU A 31 13.824 -4.428 -0.293 1.00 1.21 C ATOM 482 CD2 LEU A 31 15.145 -6.214 -1.429 1.00 1.59 C ATOM 0 H LEU A 31 11.575 -6.054 -3.348 1.00 0.22 H new ATOM 0 HA LEU A 31 13.587 -7.996 -2.309 1.00 0.52 H new ATOM 0 HB2 LEU A 31 11.733 -6.007 -0.954 1.00 0.55 H new ATOM 0 HB3 LEU A 31 12.901 -7.023 -0.133 1.00 0.55 H new ATOM 0 HG LEU A 31 13.591 -5.031 -2.348 1.00 0.85 H new ATOM 0 HD11 LEU A 31 14.609 -3.706 -0.515 1.00 1.21 H new ATOM 0 HD12 LEU A 31 12.861 -3.918 -0.256 1.00 1.21 H new ATOM 0 HD13 LEU A 31 14.024 -4.896 0.671 1.00 1.21 H new ATOM 0 HD21 LEU A 31 15.931 -5.492 -1.650 1.00 1.59 H new ATOM 0 HD22 LEU A 31 15.342 -6.681 -0.464 1.00 1.59 H new ATOM 0 HD23 LEU A 31 15.127 -6.979 -2.205 1.00 1.59 H new ATOM 494 N THR A 32 10.745 -8.507 -0.899 1.00 0.95 N ATOM 495 CA THR A 32 9.717 -9.562 -0.647 1.00 0.99 C ATOM 496 C THR A 32 8.765 -9.117 0.471 1.00 0.95 C ATOM 497 O THR A 32 9.188 -8.719 1.538 1.00 1.05 O ATOM 498 CB THR A 32 10.401 -10.873 -0.248 1.00 1.30 C ATOM 499 OG1 THR A 32 11.708 -10.598 0.238 1.00 1.31 O ATOM 500 CG2 THR A 32 10.488 -11.794 -1.469 1.00 1.25 C ATOM 0 H THR A 32 10.752 -7.733 -0.234 1.00 0.95 H new ATOM 0 HA THR A 32 9.144 -9.718 -1.561 1.00 0.99 H new ATOM 0 HB THR A 32 9.822 -11.363 0.535 1.00 1.30 H new ATOM 0 HG1 THR A 32 12.145 -11.437 0.495 1.00 1.31 H new ATOM 0 HG21 THR A 32 10.975 -12.728 -1.187 1.00 1.25 H new ATOM 0 HG22 THR A 32 9.484 -12.005 -1.838 1.00 1.25 H new ATOM 0 HG23 THR A 32 11.067 -11.306 -2.253 1.00 1.25 H new ATOM 508 N VAL A 33 7.479 -9.200 0.237 1.00 0.83 N ATOM 509 CA VAL A 33 6.495 -8.804 1.280 1.00 0.83 C ATOM 510 C VAL A 33 5.563 -10.002 1.528 1.00 0.82 C ATOM 511 O VAL A 33 6.025 -11.115 1.607 1.00 1.27 O ATOM 512 CB VAL A 33 5.717 -7.578 0.793 1.00 0.62 C ATOM 513 CG1 VAL A 33 6.696 -6.429 0.546 1.00 0.74 C ATOM 514 CG2 VAL A 33 4.987 -7.913 -0.511 1.00 0.29 C ATOM 0 H VAL A 33 7.070 -9.528 -0.638 1.00 0.83 H new ATOM 0 HA VAL A 33 6.988 -8.537 2.215 1.00 0.83 H new ATOM 0 HB VAL A 33 4.987 -7.287 1.548 1.00 0.62 H new ATOM 0 HG11 VAL A 33 6.148 -5.553 0.199 1.00 0.74 H new ATOM 0 HG12 VAL A 33 7.216 -6.188 1.473 1.00 0.74 H new ATOM 0 HG13 VAL A 33 7.422 -6.726 -0.211 1.00 0.74 H new ATOM 0 HG21 VAL A 33 4.435 -7.038 -0.854 1.00 0.29 H new ATOM 0 HG22 VAL A 33 5.713 -8.204 -1.270 1.00 0.29 H new ATOM 0 HG23 VAL A 33 4.293 -8.735 -0.338 1.00 0.29 H new ATOM 524 N THR A 34 4.271 -9.812 1.648 1.00 0.64 N ATOM 525 CA THR A 34 3.377 -10.984 1.886 1.00 0.52 C ATOM 526 C THR A 34 2.285 -11.022 0.809 1.00 0.31 C ATOM 527 O THR A 34 1.679 -10.016 0.498 1.00 0.41 O ATOM 528 CB THR A 34 2.732 -10.849 3.271 1.00 0.55 C ATOM 529 OG1 THR A 34 3.310 -11.801 4.153 1.00 0.82 O ATOM 530 CG2 THR A 34 1.222 -11.086 3.177 1.00 0.32 C ATOM 0 H THR A 34 3.803 -8.907 1.592 1.00 0.64 H new ATOM 0 HA THR A 34 3.957 -11.906 1.841 1.00 0.52 H new ATOM 0 HB THR A 34 2.907 -9.842 3.650 1.00 0.55 H new ATOM 0 HG1 THR A 34 2.901 -11.716 5.040 1.00 0.82 H new ATOM 0 HG21 THR A 34 0.776 -10.987 4.167 1.00 0.32 H new ATOM 0 HG22 THR A 34 0.780 -10.351 2.505 1.00 0.32 H new ATOM 0 HG23 THR A 34 1.034 -12.089 2.793 1.00 0.32 H new ATOM 538 N ASP A 35 2.022 -12.173 0.243 1.00 0.33 N ATOM 539 CA ASP A 35 0.957 -12.257 -0.803 1.00 0.34 C ATOM 540 C ASP A 35 -0.410 -12.339 -0.130 1.00 0.32 C ATOM 541 O ASP A 35 -0.593 -13.032 0.851 1.00 0.77 O ATOM 542 CB ASP A 35 1.152 -13.499 -1.686 1.00 0.54 C ATOM 543 CG ASP A 35 1.409 -14.730 -0.817 1.00 3.06 C ATOM 544 OD1 ASP A 35 0.444 -15.290 -0.321 1.00 4.18 O ATOM 545 OD2 ASP A 35 2.563 -15.093 -0.663 1.00 4.11 O ATOM 0 H ASP A 35 2.494 -13.051 0.457 1.00 0.33 H new ATOM 0 HA ASP A 35 1.020 -11.366 -1.428 1.00 0.34 H new ATOM 0 HB2 ASP A 35 0.267 -13.658 -2.302 1.00 0.54 H new ATOM 0 HB3 ASP A 35 1.990 -13.343 -2.365 1.00 0.54 H new ATOM 550 N ILE A 36 -1.373 -11.633 -0.649 1.00 0.52 N ATOM 551 CA ILE A 36 -2.730 -11.668 -0.040 1.00 0.53 C ATOM 552 C ILE A 36 -3.808 -11.847 -1.125 1.00 0.58 C ATOM 553 O ILE A 36 -4.988 -11.856 -0.832 1.00 0.71 O ATOM 554 CB ILE A 36 -2.967 -10.358 0.715 1.00 0.54 C ATOM 555 CG1 ILE A 36 -3.751 -9.388 -0.171 1.00 0.73 C ATOM 556 CG2 ILE A 36 -1.620 -9.727 1.080 1.00 0.74 C ATOM 557 CD1 ILE A 36 -3.695 -7.988 0.440 1.00 0.75 C ATOM 0 H ILE A 36 -1.279 -11.033 -1.469 1.00 0.52 H new ATOM 0 HA ILE A 36 -2.793 -12.512 0.646 1.00 0.53 H new ATOM 0 HB ILE A 36 -3.535 -10.565 1.622 1.00 0.54 H new ATOM 0 HG12 ILE A 36 -3.331 -9.375 -1.177 1.00 0.73 H new ATOM 0 HG13 ILE A 36 -4.786 -9.716 -0.262 1.00 0.73 H new ATOM 0 HG21 ILE A 36 -1.789 -8.794 1.618 1.00 0.74 H new ATOM 0 HG22 ILE A 36 -1.056 -10.413 1.712 1.00 0.74 H new ATOM 0 HG23 ILE A 36 -1.055 -9.524 0.170 1.00 0.74 H new ATOM 0 HD11 ILE A 36 -4.253 -7.294 -0.189 1.00 0.75 H new ATOM 0 HD12 ILE A 36 -4.135 -8.008 1.437 1.00 0.75 H new ATOM 0 HD13 ILE A 36 -2.657 -7.662 0.508 1.00 0.75 H new ATOM 569 N PHE A 37 -3.426 -12.000 -2.372 1.00 0.53 N ATOM 570 CA PHE A 37 -4.443 -12.185 -3.448 1.00 0.58 C ATOM 571 C PHE A 37 -4.439 -13.645 -3.906 1.00 0.61 C ATOM 572 O PHE A 37 -4.760 -13.948 -5.038 1.00 0.65 O ATOM 573 CB PHE A 37 -4.101 -11.287 -4.639 1.00 0.57 C ATOM 574 CG PHE A 37 -4.257 -9.838 -4.250 1.00 0.59 C ATOM 575 CD1 PHE A 37 -5.486 -9.373 -3.768 1.00 0.62 C ATOM 576 CD2 PHE A 37 -3.173 -8.960 -4.372 1.00 0.73 C ATOM 577 CE1 PHE A 37 -5.630 -8.028 -3.408 1.00 0.72 C ATOM 578 CE2 PHE A 37 -3.319 -7.615 -4.013 1.00 0.83 C ATOM 579 CZ PHE A 37 -4.547 -7.150 -3.531 1.00 0.80 C ATOM 0 H PHE A 37 -2.456 -12.004 -2.687 1.00 0.53 H new ATOM 0 HA PHE A 37 -5.427 -11.921 -3.061 1.00 0.58 H new ATOM 0 HB2 PHE A 37 -3.079 -11.477 -4.967 1.00 0.57 H new ATOM 0 HB3 PHE A 37 -4.754 -11.519 -5.480 1.00 0.57 H new ATOM 0 HD1 PHE A 37 -6.322 -10.051 -3.674 1.00 0.62 H new ATOM 0 HD2 PHE A 37 -2.225 -9.320 -4.743 1.00 0.73 H new ATOM 0 HE1 PHE A 37 -6.577 -7.668 -3.035 1.00 0.72 H new ATOM 0 HE2 PHE A 37 -2.484 -6.937 -4.108 1.00 0.83 H new ATOM 0 HZ PHE A 37 -4.660 -6.112 -3.253 1.00 0.80 H new ATOM 589 N ALA A 38 -4.071 -14.552 -3.044 1.00 0.60 N ATOM 590 CA ALA A 38 -4.041 -15.987 -3.444 1.00 0.64 C ATOM 591 C ALA A 38 -5.258 -16.711 -2.867 1.00 0.60 C ATOM 592 O ALA A 38 -5.811 -17.599 -3.484 1.00 0.60 O ATOM 593 CB ALA A 38 -2.765 -16.635 -2.909 1.00 0.78 C ATOM 0 H ALA A 38 -3.790 -14.362 -2.082 1.00 0.60 H new ATOM 0 HA ALA A 38 -4.062 -16.058 -4.531 1.00 0.64 H new ATOM 0 HB1 ALA A 38 -2.741 -17.685 -3.200 1.00 0.78 H new ATOM 0 HB2 ALA A 38 -1.896 -16.123 -3.323 1.00 0.78 H new ATOM 0 HB3 ALA A 38 -2.747 -16.560 -1.822 1.00 0.78 H new ATOM 599 N ALA A 39 -5.678 -16.344 -1.688 1.00 0.68 N ATOM 600 CA ALA A 39 -6.856 -17.020 -1.077 1.00 0.78 C ATOM 601 C ALA A 39 -7.957 -15.991 -0.811 1.00 0.71 C ATOM 602 O ALA A 39 -8.468 -15.884 0.286 1.00 0.89 O ATOM 603 CB ALA A 39 -6.440 -17.673 0.242 1.00 0.80 C ATOM 0 H ALA A 39 -5.257 -15.607 -1.122 1.00 0.68 H new ATOM 0 HA ALA A 39 -7.231 -17.783 -1.760 1.00 0.78 H new ATOM 0 HB1 ALA A 39 -7.301 -18.168 0.690 1.00 0.80 H new ATOM 0 HB2 ALA A 39 -5.657 -18.407 0.053 1.00 0.80 H new ATOM 0 HB3 ALA A 39 -6.065 -16.910 0.924 1.00 0.80 H new ATOM 609 N SER A 40 -8.329 -15.237 -1.809 1.00 1.05 N ATOM 610 CA SER A 40 -9.399 -14.218 -1.617 1.00 1.13 C ATOM 611 C SER A 40 -10.758 -14.852 -1.928 1.00 1.31 C ATOM 612 O SER A 40 -11.429 -14.475 -2.868 1.00 1.27 O ATOM 613 CB SER A 40 -9.153 -13.042 -2.565 1.00 1.33 C ATOM 614 OG SER A 40 -9.975 -11.948 -2.182 1.00 0.74 O ATOM 0 H SER A 40 -7.938 -15.283 -2.750 1.00 1.05 H new ATOM 0 HA SER A 40 -9.390 -13.861 -0.587 1.00 1.13 H new ATOM 0 HB2 SER A 40 -8.103 -12.750 -2.536 1.00 1.33 H new ATOM 0 HB3 SER A 40 -9.374 -13.335 -3.591 1.00 1.33 H new ATOM 0 HG SER A 40 -9.818 -11.193 -2.787 1.00 0.74 H new ATOM 620 N LYS A 41 -11.165 -15.817 -1.149 1.00 1.73 N ATOM 621 CA LYS A 41 -12.478 -16.479 -1.406 1.00 1.97 C ATOM 622 C LYS A 41 -13.467 -16.183 -0.268 1.00 2.06 C ATOM 623 O LYS A 41 -14.588 -16.651 -0.288 1.00 2.36 O ATOM 624 CB LYS A 41 -12.271 -17.992 -1.499 1.00 2.65 C ATOM 625 CG LYS A 41 -11.023 -18.288 -2.332 1.00 3.32 C ATOM 626 CD LYS A 41 -10.891 -19.800 -2.531 1.00 4.12 C ATOM 627 CE LYS A 41 -9.417 -20.163 -2.721 1.00 4.90 C ATOM 628 NZ LYS A 41 -9.139 -20.370 -4.169 1.00 5.95 N ATOM 0 H LYS A 41 -10.647 -16.176 -0.347 1.00 1.73 H new ATOM 0 HA LYS A 41 -12.885 -16.092 -2.340 1.00 1.97 H new ATOM 0 HB2 LYS A 41 -12.164 -18.417 -0.501 1.00 2.65 H new ATOM 0 HB3 LYS A 41 -13.144 -18.462 -1.953 1.00 2.65 H new ATOM 0 HG2 LYS A 41 -11.090 -17.787 -3.298 1.00 3.32 H new ATOM 0 HG3 LYS A 41 -10.137 -17.897 -1.831 1.00 3.32 H new ATOM 0 HD2 LYS A 41 -11.298 -20.328 -1.669 1.00 4.12 H new ATOM 0 HD3 LYS A 41 -11.469 -20.115 -3.400 1.00 4.12 H new ATOM 0 HE2 LYS A 41 -8.782 -19.369 -2.328 1.00 4.90 H new ATOM 0 HE3 LYS A 41 -9.179 -21.068 -2.161 1.00 4.90 H new ATOM 0 HZ1 LYS A 41 -8.137 -20.617 -4.298 1.00 5.95 H new ATOM 0 HZ2 LYS A 41 -9.735 -21.142 -4.530 1.00 5.95 H new ATOM 0 HZ3 LYS A 41 -9.350 -19.496 -4.692 1.00 5.95 H new ATOM 642 N ASP A 42 -13.080 -15.424 0.725 1.00 1.97 N ATOM 643 CA ASP A 42 -14.027 -15.136 1.837 1.00 2.24 C ATOM 644 C ASP A 42 -13.476 -14.007 2.713 1.00 2.27 C ATOM 645 O ASP A 42 -13.118 -14.215 3.854 1.00 3.08 O ATOM 646 CB ASP A 42 -14.201 -16.394 2.689 1.00 2.83 C ATOM 647 CG ASP A 42 -12.824 -16.944 3.066 1.00 4.16 C ATOM 648 OD1 ASP A 42 -12.282 -17.711 2.287 1.00 5.11 O ATOM 649 OD2 ASP A 42 -12.335 -16.585 4.124 1.00 4.61 O ATOM 0 H ASP A 42 -12.158 -14.996 0.812 1.00 1.97 H new ATOM 0 HA ASP A 42 -14.988 -14.832 1.421 1.00 2.24 H new ATOM 0 HB2 ASP A 42 -14.771 -16.162 3.588 1.00 2.83 H new ATOM 0 HB3 ASP A 42 -14.767 -17.145 2.138 1.00 2.83 H new ATOM 654 N THR A 43 -13.414 -12.813 2.193 1.00 1.52 N ATOM 655 CA THR A 43 -12.894 -11.678 3.004 1.00 1.62 C ATOM 656 C THR A 43 -13.557 -10.383 2.532 1.00 1.54 C ATOM 657 O THR A 43 -14.341 -10.382 1.604 1.00 1.62 O ATOM 658 CB THR A 43 -11.374 -11.575 2.834 1.00 1.49 C ATOM 659 OG1 THR A 43 -10.921 -12.620 1.983 1.00 2.13 O ATOM 660 CG2 THR A 43 -10.696 -11.701 4.200 1.00 1.12 C ATOM 0 H THR A 43 -13.700 -12.575 1.243 1.00 1.52 H new ATOM 0 HA THR A 43 -13.122 -11.843 4.057 1.00 1.62 H new ATOM 0 HB THR A 43 -11.123 -10.611 2.392 1.00 1.49 H new ATOM 0 HG1 THR A 43 -9.949 -12.554 1.873 1.00 2.13 H new ATOM 0 HG21 THR A 43 -9.615 -11.628 4.078 1.00 1.12 H new ATOM 0 HG22 THR A 43 -11.043 -10.900 4.853 1.00 1.12 H new ATOM 0 HG23 THR A 43 -10.946 -12.665 4.643 1.00 1.12 H new ATOM 668 N THR A 44 -13.261 -9.282 3.167 1.00 1.56 N ATOM 669 CA THR A 44 -13.889 -7.996 2.751 1.00 1.54 C ATOM 670 C THR A 44 -12.810 -6.973 2.405 1.00 1.51 C ATOM 671 O THR A 44 -11.633 -7.243 2.512 1.00 1.74 O ATOM 672 CB THR A 44 -14.751 -7.458 3.892 1.00 1.82 C ATOM 673 OG1 THR A 44 -14.210 -7.884 5.133 1.00 2.17 O ATOM 674 CG2 THR A 44 -16.177 -7.984 3.746 1.00 2.43 C ATOM 0 H THR A 44 -12.614 -9.217 3.953 1.00 1.56 H new ATOM 0 HA THR A 44 -14.509 -8.171 1.872 1.00 1.54 H new ATOM 0 HB THR A 44 -14.764 -6.369 3.857 1.00 1.82 H new ATOM 0 HG1 THR A 44 -14.761 -7.538 5.866 1.00 2.17 H new ATOM 0 HG21 THR A 44 -16.792 -7.600 4.560 1.00 2.43 H new ATOM 0 HG22 THR A 44 -16.590 -7.655 2.793 1.00 2.43 H new ATOM 0 HG23 THR A 44 -16.168 -9.073 3.781 1.00 2.43 H new ATOM 682 N GLU A 45 -13.208 -5.800 1.985 1.00 1.27 N ATOM 683 CA GLU A 45 -12.205 -4.758 1.626 1.00 1.23 C ATOM 684 C GLU A 45 -11.667 -4.104 2.896 1.00 1.04 C ATOM 685 O GLU A 45 -10.528 -3.713 2.955 1.00 0.94 O ATOM 686 CB GLU A 45 -12.850 -3.686 0.743 1.00 1.23 C ATOM 687 CG GLU A 45 -13.705 -2.760 1.609 1.00 1.06 C ATOM 688 CD GLU A 45 -14.639 -1.948 0.711 1.00 1.03 C ATOM 689 OE1 GLU A 45 -15.656 -2.486 0.308 1.00 2.00 O ATOM 690 OE2 GLU A 45 -14.320 -0.800 0.441 1.00 0.76 O ATOM 0 H GLU A 45 -14.183 -5.521 1.876 1.00 1.27 H new ATOM 0 HA GLU A 45 -11.389 -5.230 1.080 1.00 1.23 H new ATOM 0 HB2 GLU A 45 -12.080 -3.112 0.228 1.00 1.23 H new ATOM 0 HB3 GLU A 45 -13.465 -4.154 -0.025 1.00 1.23 H new ATOM 0 HG2 GLU A 45 -14.285 -3.344 2.323 1.00 1.06 H new ATOM 0 HG3 GLU A 45 -13.067 -2.092 2.188 1.00 1.06 H new ATOM 697 N LYS A 46 -12.465 -3.976 3.917 1.00 0.99 N ATOM 698 CA LYS A 46 -11.946 -3.338 5.158 1.00 0.80 C ATOM 699 C LYS A 46 -10.857 -4.234 5.757 1.00 0.69 C ATOM 700 O LYS A 46 -9.873 -3.759 6.293 1.00 0.53 O ATOM 701 CB LYS A 46 -13.094 -3.127 6.153 1.00 0.82 C ATOM 702 CG LYS A 46 -13.097 -4.237 7.210 1.00 1.46 C ATOM 703 CD LYS A 46 -14.331 -4.085 8.104 1.00 1.51 C ATOM 704 CE LYS A 46 -15.576 -4.540 7.340 1.00 1.36 C ATOM 705 NZ LYS A 46 -16.782 -4.322 8.188 1.00 1.41 N ATOM 0 H LYS A 46 -13.438 -4.280 3.948 1.00 0.99 H new ATOM 0 HA LYS A 46 -11.516 -2.363 4.929 1.00 0.80 H new ATOM 0 HB2 LYS A 46 -12.990 -2.156 6.637 1.00 0.82 H new ATOM 0 HB3 LYS A 46 -14.046 -3.119 5.623 1.00 0.82 H new ATOM 0 HG2 LYS A 46 -13.102 -5.214 6.727 1.00 1.46 H new ATOM 0 HG3 LYS A 46 -12.190 -4.184 7.812 1.00 1.46 H new ATOM 0 HD2 LYS A 46 -14.211 -4.678 9.011 1.00 1.51 H new ATOM 0 HD3 LYS A 46 -14.442 -3.046 8.415 1.00 1.51 H new ATOM 0 HE2 LYS A 46 -15.668 -3.983 6.407 1.00 1.36 H new ATOM 0 HE3 LYS A 46 -15.489 -5.594 7.075 1.00 1.36 H new ATOM 0 HZ1 LYS A 46 -17.630 -4.630 7.671 1.00 1.41 H new ATOM 0 HZ2 LYS A 46 -16.693 -4.872 9.066 1.00 1.41 H new ATOM 0 HZ3 LYS A 46 -16.866 -3.311 8.419 1.00 1.41 H new ATOM 719 N GLU A 47 -11.006 -5.527 5.655 1.00 0.80 N ATOM 720 CA GLU A 47 -9.960 -6.435 6.204 1.00 0.78 C ATOM 721 C GLU A 47 -8.760 -6.445 5.253 1.00 0.65 C ATOM 722 O GLU A 47 -7.623 -6.447 5.676 1.00 0.55 O ATOM 723 CB GLU A 47 -10.517 -7.853 6.348 1.00 1.06 C ATOM 724 CG GLU A 47 -10.551 -8.230 7.830 1.00 1.38 C ATOM 725 CD GLU A 47 -11.569 -9.350 8.056 1.00 1.27 C ATOM 726 OE1 GLU A 47 -11.914 -10.015 7.093 1.00 1.18 O ATOM 727 OE2 GLU A 47 -11.984 -9.525 9.190 1.00 1.98 O ATOM 0 H GLU A 47 -11.802 -5.991 5.218 1.00 0.80 H new ATOM 0 HA GLU A 47 -9.650 -6.080 7.187 1.00 0.78 H new ATOM 0 HB2 GLU A 47 -11.519 -7.908 5.923 1.00 1.06 H new ATOM 0 HB3 GLU A 47 -9.897 -8.558 5.795 1.00 1.06 H new ATOM 0 HG2 GLU A 47 -9.562 -8.554 8.155 1.00 1.38 H new ATOM 0 HG3 GLU A 47 -10.815 -7.359 8.430 1.00 1.38 H new ATOM 734 N THR A 48 -9.005 -6.445 3.969 1.00 0.68 N ATOM 735 CA THR A 48 -7.874 -6.445 2.992 1.00 0.57 C ATOM 736 C THR A 48 -7.131 -5.099 3.050 1.00 0.38 C ATOM 737 O THR A 48 -6.004 -4.983 2.609 1.00 0.25 O ATOM 738 CB THR A 48 -8.421 -6.652 1.574 1.00 0.74 C ATOM 739 OG1 THR A 48 -8.557 -8.042 1.314 1.00 1.18 O ATOM 740 CG2 THR A 48 -7.461 -6.034 0.555 1.00 0.36 C ATOM 0 H THR A 48 -9.937 -6.445 3.554 1.00 0.68 H new ATOM 0 HA THR A 48 -7.187 -7.252 3.246 1.00 0.57 H new ATOM 0 HB THR A 48 -9.395 -6.170 1.491 1.00 0.74 H new ATOM 0 HG1 THR A 48 -8.908 -8.173 0.408 1.00 1.18 H new ATOM 0 HG21 THR A 48 -7.853 -6.183 -0.451 1.00 0.36 H new ATOM 0 HG22 THR A 48 -7.360 -4.966 0.751 1.00 0.36 H new ATOM 0 HG23 THR A 48 -6.485 -6.512 0.639 1.00 0.36 H new ATOM 748 N PHE A 49 -7.754 -4.079 3.580 1.00 0.46 N ATOM 749 CA PHE A 49 -7.091 -2.747 3.643 1.00 0.38 C ATOM 750 C PHE A 49 -6.156 -2.690 4.850 1.00 0.14 C ATOM 751 O PHE A 49 -5.052 -2.200 4.758 1.00 0.26 O ATOM 752 CB PHE A 49 -8.158 -1.655 3.784 1.00 0.57 C ATOM 753 CG PHE A 49 -8.693 -1.249 2.425 1.00 0.61 C ATOM 754 CD1 PHE A 49 -8.899 -2.213 1.432 1.00 1.39 C ATOM 755 CD2 PHE A 49 -9.016 0.091 2.175 1.00 1.42 C ATOM 756 CE1 PHE A 49 -9.429 -1.841 0.191 1.00 1.40 C ATOM 757 CE2 PHE A 49 -9.540 0.464 0.930 1.00 1.45 C ATOM 758 CZ PHE A 49 -9.749 -0.504 -0.060 1.00 0.72 C ATOM 0 H PHE A 49 -8.695 -4.113 3.972 1.00 0.46 H new ATOM 0 HA PHE A 49 -6.516 -2.590 2.731 1.00 0.38 H new ATOM 0 HB2 PHE A 49 -8.975 -2.016 4.409 1.00 0.57 H new ATOM 0 HB3 PHE A 49 -7.732 -0.787 4.287 1.00 0.57 H new ATOM 0 HD1 PHE A 49 -8.649 -3.246 1.623 1.00 1.39 H new ATOM 0 HD2 PHE A 49 -8.861 0.836 2.941 1.00 1.42 H new ATOM 0 HE1 PHE A 49 -9.591 -2.587 -0.573 1.00 1.40 H new ATOM 0 HE2 PHE A 49 -9.783 1.498 0.734 1.00 1.45 H new ATOM 0 HZ PHE A 49 -10.158 -0.217 -1.018 1.00 0.72 H new ATOM 768 N CYS A 50 -6.585 -3.176 5.985 1.00 0.14 N ATOM 769 CA CYS A 50 -5.703 -3.125 7.188 1.00 0.33 C ATOM 770 C CYS A 50 -4.572 -4.150 7.055 1.00 0.31 C ATOM 771 O CYS A 50 -3.500 -3.976 7.597 1.00 0.31 O ATOM 772 CB CYS A 50 -6.513 -3.458 8.441 1.00 0.60 C ATOM 773 SG CYS A 50 -5.890 -5.006 9.146 1.00 0.45 S ATOM 0 H CYS A 50 -7.500 -3.603 6.131 1.00 0.14 H new ATOM 0 HA CYS A 50 -5.286 -2.121 7.268 1.00 0.33 H new ATOM 0 HB2 CYS A 50 -6.430 -2.651 9.169 1.00 0.60 H new ATOM 0 HB3 CYS A 50 -7.570 -3.555 8.192 1.00 0.60 H new ATOM 778 N ARG A 51 -4.808 -5.225 6.355 1.00 0.30 N ATOM 779 CA ARG A 51 -3.751 -6.262 6.208 1.00 0.30 C ATOM 780 C ARG A 51 -2.684 -5.771 5.231 1.00 0.09 C ATOM 781 O ARG A 51 -1.500 -5.864 5.488 1.00 0.19 O ATOM 782 CB ARG A 51 -4.375 -7.552 5.670 1.00 0.42 C ATOM 783 CG ARG A 51 -4.990 -8.355 6.819 1.00 0.74 C ATOM 784 CD ARG A 51 -5.771 -9.537 6.242 1.00 0.55 C ATOM 785 NE ARG A 51 -5.129 -10.815 6.671 1.00 1.18 N ATOM 786 CZ ARG A 51 -5.736 -11.968 6.504 1.00 1.39 C ATOM 787 NH1 ARG A 51 -6.911 -12.040 5.925 1.00 1.05 N ATOM 788 NH2 ARG A 51 -5.157 -13.063 6.913 1.00 2.04 N ATOM 0 H ARG A 51 -5.687 -5.429 5.879 1.00 0.30 H new ATOM 0 HA ARG A 51 -3.294 -6.453 7.179 1.00 0.30 H new ATOM 0 HB2 ARG A 51 -5.140 -7.315 4.931 1.00 0.42 H new ATOM 0 HB3 ARG A 51 -3.617 -8.149 5.163 1.00 0.42 H new ATOM 0 HG2 ARG A 51 -4.208 -8.712 7.489 1.00 0.74 H new ATOM 0 HG3 ARG A 51 -5.650 -7.720 7.410 1.00 0.74 H new ATOM 0 HD2 ARG A 51 -6.806 -9.505 6.584 1.00 0.55 H new ATOM 0 HD3 ARG A 51 -5.793 -9.476 5.154 1.00 0.55 H new ATOM 0 HE ARG A 51 -4.204 -10.792 7.101 1.00 1.18 H new ATOM 0 HH11 ARG A 51 -7.370 -11.191 5.595 1.00 1.05 H new ATOM 0 HH12 ARG A 51 -7.366 -12.945 5.805 1.00 1.05 H new ATOM 0 HH21 ARG A 51 -4.240 -13.020 7.358 1.00 2.04 H new ATOM 0 HH22 ARG A 51 -5.621 -13.963 6.788 1.00 2.04 H new ATOM 802 N ALA A 52 -3.096 -5.259 4.106 1.00 0.02 N ATOM 803 CA ALA A 52 -2.109 -4.773 3.103 1.00 0.25 C ATOM 804 C ALA A 52 -1.427 -3.495 3.597 1.00 0.45 C ATOM 805 O ALA A 52 -0.327 -3.180 3.194 1.00 0.59 O ATOM 806 CB ALA A 52 -2.830 -4.481 1.795 1.00 0.45 C ATOM 0 H ALA A 52 -4.075 -5.156 3.837 1.00 0.02 H new ATOM 0 HA ALA A 52 -1.351 -5.541 2.953 1.00 0.25 H new ATOM 0 HB1 ALA A 52 -2.113 -4.125 1.056 1.00 0.45 H new ATOM 0 HB2 ALA A 52 -3.305 -5.392 1.430 1.00 0.45 H new ATOM 0 HB3 ALA A 52 -3.590 -3.717 1.961 1.00 0.45 H new ATOM 812 N ALA A 53 -2.066 -2.748 4.456 1.00 0.59 N ATOM 813 CA ALA A 53 -1.433 -1.494 4.953 1.00 0.90 C ATOM 814 C ALA A 53 -0.420 -1.837 6.044 1.00 0.79 C ATOM 815 O ALA A 53 0.613 -1.213 6.153 1.00 0.86 O ATOM 816 CB ALA A 53 -2.500 -0.566 5.522 1.00 1.28 C ATOM 0 H ALA A 53 -2.992 -2.950 4.833 1.00 0.59 H new ATOM 0 HA ALA A 53 -0.927 -0.993 4.127 1.00 0.90 H new ATOM 0 HB1 ALA A 53 -2.031 0.349 5.884 1.00 1.28 H new ATOM 0 HB2 ALA A 53 -3.222 -0.320 4.743 1.00 1.28 H new ATOM 0 HB3 ALA A 53 -3.011 -1.062 6.347 1.00 1.28 H new ATOM 822 N THR A 54 -0.697 -2.830 6.845 1.00 0.74 N ATOM 823 CA THR A 54 0.273 -3.212 7.908 1.00 0.84 C ATOM 824 C THR A 54 1.530 -3.752 7.229 1.00 0.55 C ATOM 825 O THR A 54 2.646 -3.457 7.617 1.00 0.48 O ATOM 826 CB THR A 54 -0.336 -4.298 8.802 1.00 1.05 C ATOM 827 OG1 THR A 54 -1.576 -3.842 9.322 1.00 1.53 O ATOM 828 CG2 THR A 54 0.619 -4.606 9.954 1.00 1.81 C ATOM 0 H THR A 54 -1.549 -3.390 6.809 1.00 0.74 H new ATOM 0 HA THR A 54 0.515 -2.347 8.526 1.00 0.84 H new ATOM 0 HB THR A 54 -0.499 -5.202 8.216 1.00 1.05 H new ATOM 0 HG1 THR A 54 -2.288 -4.016 8.671 1.00 1.53 H new ATOM 0 HG21 THR A 54 0.185 -5.378 10.589 1.00 1.81 H new ATOM 0 HG22 THR A 54 1.570 -4.957 9.554 1.00 1.81 H new ATOM 0 HG23 THR A 54 0.784 -3.703 10.542 1.00 1.81 H new ATOM 836 N VAL A 55 1.348 -4.530 6.199 1.00 0.39 N ATOM 837 CA VAL A 55 2.515 -5.083 5.464 1.00 0.28 C ATOM 838 C VAL A 55 3.248 -3.926 4.787 1.00 0.11 C ATOM 839 O VAL A 55 4.463 -3.888 4.727 1.00 0.21 O ATOM 840 CB VAL A 55 2.020 -6.085 4.418 1.00 0.47 C ATOM 841 CG1 VAL A 55 3.219 -6.724 3.719 1.00 0.83 C ATOM 842 CG2 VAL A 55 1.210 -7.179 5.118 1.00 0.78 C ATOM 0 H VAL A 55 0.436 -4.807 5.834 1.00 0.39 H new ATOM 0 HA VAL A 55 3.194 -5.595 6.146 1.00 0.28 H new ATOM 0 HB VAL A 55 1.398 -5.571 3.685 1.00 0.47 H new ATOM 0 HG11 VAL A 55 2.868 -7.438 2.974 1.00 0.83 H new ATOM 0 HG12 VAL A 55 3.810 -5.950 3.230 1.00 0.83 H new ATOM 0 HG13 VAL A 55 3.836 -7.241 4.454 1.00 0.83 H new ATOM 0 HG21 VAL A 55 0.854 -7.897 4.379 1.00 0.78 H new ATOM 0 HG22 VAL A 55 1.841 -7.690 5.845 1.00 0.78 H new ATOM 0 HG23 VAL A 55 0.358 -6.730 5.628 1.00 0.78 H new ATOM 852 N LEU A 56 2.513 -2.965 4.301 1.00 0.43 N ATOM 853 CA LEU A 56 3.152 -1.789 3.655 1.00 0.74 C ATOM 854 C LEU A 56 3.931 -1.007 4.716 1.00 0.76 C ATOM 855 O LEU A 56 4.902 -0.332 4.423 1.00 0.87 O ATOM 856 CB LEU A 56 2.072 -0.893 3.047 1.00 1.02 C ATOM 857 CG LEU A 56 2.301 -0.764 1.541 1.00 1.20 C ATOM 858 CD1 LEU A 56 1.389 -1.743 0.800 1.00 1.32 C ATOM 859 CD2 LEU A 56 1.981 0.666 1.099 1.00 1.24 C ATOM 0 H LEU A 56 1.493 -2.945 4.324 1.00 0.43 H new ATOM 0 HA LEU A 56 3.829 -2.119 2.867 1.00 0.74 H new ATOM 0 HB2 LEU A 56 1.085 -1.313 3.240 1.00 1.02 H new ATOM 0 HB3 LEU A 56 2.096 0.091 3.514 1.00 1.02 H new ATOM 0 HG LEU A 56 3.341 -0.993 1.310 1.00 1.20 H new ATOM 0 HD11 LEU A 56 1.552 -1.651 -0.274 1.00 1.32 H new ATOM 0 HD12 LEU A 56 1.616 -2.761 1.116 1.00 1.32 H new ATOM 0 HD13 LEU A 56 0.348 -1.515 1.029 1.00 1.32 H new ATOM 0 HD21 LEU A 56 2.144 0.760 0.025 1.00 1.24 H new ATOM 0 HD22 LEU A 56 0.940 0.894 1.330 1.00 1.24 H new ATOM 0 HD23 LEU A 56 2.631 1.364 1.627 1.00 1.24 H new ATOM 871 N ARG A 57 3.522 -1.108 5.954 1.00 0.73 N ATOM 872 CA ARG A 57 4.244 -0.397 7.037 1.00 0.86 C ATOM 873 C ARG A 57 5.632 -1.018 7.149 1.00 0.68 C ATOM 874 O ARG A 57 6.628 -0.331 7.264 1.00 0.77 O ATOM 875 CB ARG A 57 3.471 -0.566 8.350 1.00 0.99 C ATOM 876 CG ARG A 57 4.409 -1.057 9.456 1.00 0.96 C ATOM 877 CD ARG A 57 3.651 -1.072 10.786 1.00 0.72 C ATOM 878 NE ARG A 57 4.120 0.054 11.648 1.00 0.94 N ATOM 879 CZ ARG A 57 3.428 0.436 12.700 1.00 0.98 C ATOM 880 NH1 ARG A 57 2.304 -0.156 13.029 1.00 0.76 N ATOM 881 NH2 ARG A 57 3.868 1.420 13.434 1.00 1.67 N ATOM 0 H ARG A 57 2.716 -1.655 6.257 1.00 0.73 H new ATOM 0 HA ARG A 57 4.330 0.668 6.824 1.00 0.86 H new ATOM 0 HB2 ARG A 57 3.020 0.383 8.640 1.00 0.99 H new ATOM 0 HB3 ARG A 57 2.656 -1.277 8.212 1.00 0.99 H new ATOM 0 HG2 ARG A 57 4.776 -2.056 9.221 1.00 0.96 H new ATOM 0 HG3 ARG A 57 5.280 -0.406 9.527 1.00 0.96 H new ATOM 0 HD2 ARG A 57 2.580 -0.982 10.606 1.00 0.72 H new ATOM 0 HD3 ARG A 57 3.810 -2.023 11.295 1.00 0.72 H new ATOM 0 HE ARG A 57 4.990 0.534 11.418 1.00 0.94 H new ATOM 0 HH11 ARG A 57 1.951 -0.929 12.465 1.00 0.76 H new ATOM 0 HH12 ARG A 57 1.784 0.157 13.849 1.00 0.76 H new ATOM 0 HH21 ARG A 57 4.742 1.887 13.191 1.00 1.67 H new ATOM 0 HH22 ARG A 57 3.338 1.723 14.251 1.00 1.67 H new ATOM 895 N GLN A 58 5.701 -2.320 7.077 1.00 0.47 N ATOM 896 CA GLN A 58 7.025 -2.995 7.136 1.00 0.32 C ATOM 897 C GLN A 58 7.857 -2.522 5.942 1.00 0.26 C ATOM 898 O GLN A 58 9.068 -2.430 6.010 1.00 0.17 O ATOM 899 CB GLN A 58 6.835 -4.513 7.055 1.00 0.28 C ATOM 900 CG GLN A 58 7.883 -5.211 7.924 1.00 0.53 C ATOM 901 CD GLN A 58 7.369 -6.595 8.330 1.00 0.58 C ATOM 902 OE1 GLN A 58 6.236 -6.738 8.746 1.00 1.74 O ATOM 903 NE2 GLN A 58 8.160 -7.629 8.225 1.00 0.88 N ATOM 0 H GLN A 58 4.899 -2.942 6.980 1.00 0.47 H new ATOM 0 HA GLN A 58 7.529 -2.751 8.071 1.00 0.32 H new ATOM 0 HB2 GLN A 58 5.833 -4.782 7.390 1.00 0.28 H new ATOM 0 HB3 GLN A 58 6.926 -4.846 6.021 1.00 0.28 H new ATOM 0 HG2 GLN A 58 8.821 -5.306 7.376 1.00 0.53 H new ATOM 0 HG3 GLN A 58 8.091 -4.614 8.812 1.00 0.53 H new ATOM 0 HE21 GLN A 58 9.111 -7.510 7.876 1.00 0.88 H new ATOM 0 HE22 GLN A 58 7.827 -8.555 8.492 1.00 0.88 H new ATOM 912 N PHE A 59 7.211 -2.215 4.847 1.00 0.36 N ATOM 913 CA PHE A 59 7.954 -1.739 3.647 1.00 0.42 C ATOM 914 C PHE A 59 8.749 -0.482 4.004 1.00 0.51 C ATOM 915 O PHE A 59 9.947 -0.425 3.824 1.00 0.64 O ATOM 916 CB PHE A 59 6.967 -1.410 2.521 1.00 0.48 C ATOM 917 CG PHE A 59 7.737 -1.176 1.243 1.00 0.72 C ATOM 918 CD1 PHE A 59 8.098 -2.262 0.440 1.00 1.02 C ATOM 919 CD2 PHE A 59 8.106 0.123 0.871 1.00 0.88 C ATOM 920 CE1 PHE A 59 8.828 -2.054 -0.734 1.00 1.33 C ATOM 921 CE2 PHE A 59 8.833 0.331 -0.306 1.00 1.15 C ATOM 922 CZ PHE A 59 9.196 -0.757 -1.108 1.00 1.34 C ATOM 0 H PHE A 59 6.199 -2.274 4.734 1.00 0.36 H new ATOM 0 HA PHE A 59 8.635 -2.522 3.314 1.00 0.42 H new ATOM 0 HB2 PHE A 59 6.260 -2.229 2.390 1.00 0.48 H new ATOM 0 HB3 PHE A 59 6.385 -0.524 2.777 1.00 0.48 H new ATOM 0 HD1 PHE A 59 7.812 -3.263 0.727 1.00 1.02 H new ATOM 0 HD2 PHE A 59 7.830 0.963 1.492 1.00 0.88 H new ATOM 0 HE1 PHE A 59 9.108 -2.894 -1.352 1.00 1.33 H new ATOM 0 HE2 PHE A 59 9.114 1.332 -0.596 1.00 1.15 H new ATOM 0 HZ PHE A 59 9.760 -0.596 -2.015 1.00 1.34 H new ATOM 932 N TYR A 60 8.095 0.528 4.509 1.00 0.61 N ATOM 933 CA TYR A 60 8.829 1.777 4.869 1.00 0.70 C ATOM 934 C TYR A 60 9.372 1.687 6.303 1.00 0.45 C ATOM 935 O TYR A 60 9.896 2.648 6.830 1.00 0.18 O ATOM 936 CB TYR A 60 7.885 2.978 4.762 1.00 0.98 C ATOM 937 CG TYR A 60 7.252 3.239 6.106 1.00 0.79 C ATOM 938 CD1 TYR A 60 6.213 2.419 6.557 1.00 1.09 C ATOM 939 CD2 TYR A 60 7.706 4.297 6.902 1.00 0.47 C ATOM 940 CE1 TYR A 60 5.625 2.657 7.804 1.00 1.19 C ATOM 941 CE2 TYR A 60 7.119 4.536 8.150 1.00 0.58 C ATOM 942 CZ TYR A 60 6.078 3.715 8.601 1.00 0.99 C ATOM 943 OH TYR A 60 5.497 3.951 9.832 1.00 1.26 O ATOM 0 H TYR A 60 7.091 0.544 4.687 1.00 0.61 H new ATOM 0 HA TYR A 60 9.664 1.900 4.180 1.00 0.70 H new ATOM 0 HB2 TYR A 60 8.435 3.858 4.430 1.00 0.98 H new ATOM 0 HB3 TYR A 60 7.114 2.783 4.016 1.00 0.98 H new ATOM 0 HD1 TYR A 60 5.864 1.602 5.943 1.00 1.09 H new ATOM 0 HD2 TYR A 60 8.509 4.929 6.553 1.00 0.47 H new ATOM 0 HE1 TYR A 60 4.822 2.025 8.152 1.00 1.19 H new ATOM 0 HE2 TYR A 60 7.468 5.353 8.764 1.00 0.58 H new ATOM 0 HH TYR A 60 5.930 4.721 10.256 1.00 1.26 H new ATOM 953 N SER A 61 9.259 0.552 6.943 1.00 0.60 N ATOM 954 CA SER A 61 9.777 0.442 8.333 1.00 0.50 C ATOM 955 C SER A 61 11.243 0.005 8.309 1.00 0.28 C ATOM 956 O SER A 61 12.118 0.705 8.783 1.00 0.12 O ATOM 957 CB SER A 61 8.954 -0.593 9.102 1.00 0.79 C ATOM 958 OG SER A 61 9.434 -0.671 10.438 1.00 0.94 O ATOM 0 H SER A 61 8.834 -0.295 6.565 1.00 0.60 H new ATOM 0 HA SER A 61 9.698 1.413 8.822 1.00 0.50 H new ATOM 0 HB2 SER A 61 7.900 -0.314 9.097 1.00 0.79 H new ATOM 0 HB3 SER A 61 9.028 -1.567 8.618 1.00 0.79 H new ATOM 0 HG SER A 61 8.909 -1.332 10.936 1.00 0.94 H new ATOM 964 N HIS A 62 11.518 -1.152 7.775 1.00 0.37 N ATOM 965 CA HIS A 62 12.927 -1.645 7.739 1.00 0.38 C ATOM 966 C HIS A 62 13.618 -1.214 6.438 1.00 0.44 C ATOM 967 O HIS A 62 14.799 -0.929 6.425 1.00 0.49 O ATOM 968 CB HIS A 62 12.930 -3.172 7.835 1.00 0.58 C ATOM 969 CG HIS A 62 14.234 -3.643 8.422 1.00 1.48 C ATOM 970 ND1 HIS A 62 15.220 -4.245 7.653 1.00 2.47 N ATOM 971 CD2 HIS A 62 14.727 -3.611 9.703 1.00 1.91 C ATOM 972 CE1 HIS A 62 16.243 -4.550 8.472 1.00 3.24 C ATOM 973 NE2 HIS A 62 15.995 -4.185 9.732 1.00 2.87 N ATOM 0 H HIS A 62 10.829 -1.780 7.361 1.00 0.37 H new ATOM 0 HA HIS A 62 13.471 -1.217 8.581 1.00 0.38 H new ATOM 0 HB2 HIS A 62 12.099 -3.508 8.455 1.00 0.58 H new ATOM 0 HB3 HIS A 62 12.787 -3.608 6.846 1.00 0.58 H new ATOM 0 HD2 HIS A 62 14.210 -3.202 10.558 1.00 1.91 H new ATOM 0 HE1 HIS A 62 17.154 -5.032 8.149 1.00 3.24 H new ATOM 0 HE2 HIS A 62 16.604 -4.302 10.542 1.00 2.87 H new ATOM 981 N HIS A 63 12.908 -1.181 5.340 1.00 0.46 N ATOM 982 CA HIS A 63 13.560 -0.789 4.055 1.00 0.53 C ATOM 983 C HIS A 63 13.685 0.739 3.939 1.00 0.50 C ATOM 984 O HIS A 63 14.171 1.247 2.948 1.00 0.64 O ATOM 985 CB HIS A 63 12.745 -1.317 2.869 1.00 0.58 C ATOM 986 CG HIS A 63 12.357 -2.750 3.112 1.00 0.76 C ATOM 987 ND1 HIS A 63 13.142 -3.812 2.687 1.00 1.20 N ATOM 988 CD2 HIS A 63 11.261 -3.315 3.720 1.00 1.10 C ATOM 989 CE1 HIS A 63 12.512 -4.949 3.041 1.00 1.55 C ATOM 990 NE2 HIS A 63 11.361 -4.703 3.673 1.00 1.57 N ATOM 0 H HIS A 63 11.915 -1.406 5.277 1.00 0.46 H new ATOM 0 HA HIS A 63 14.559 -1.225 4.042 1.00 0.53 H new ATOM 0 HB2 HIS A 63 11.852 -0.708 2.730 1.00 0.58 H new ATOM 0 HB3 HIS A 63 13.329 -1.240 1.952 1.00 0.58 H new ATOM 0 HD2 HIS A 63 10.446 -2.765 4.167 1.00 1.10 H new ATOM 0 HE1 HIS A 63 12.892 -5.940 2.838 1.00 1.55 H new ATOM 0 HE2 HIS A 63 10.698 -5.385 4.042 1.00 1.57 H new ATOM 998 N GLU A 64 13.259 1.484 4.927 1.00 0.36 N ATOM 999 CA GLU A 64 13.377 2.968 4.830 1.00 0.32 C ATOM 1000 C GLU A 64 14.854 3.367 4.906 1.00 0.39 C ATOM 1001 O GLU A 64 15.263 4.378 4.369 1.00 0.44 O ATOM 1002 CB GLU A 64 12.600 3.619 5.981 1.00 0.46 C ATOM 1003 CG GLU A 64 13.449 4.713 6.637 1.00 0.58 C ATOM 1004 CD GLU A 64 12.610 5.452 7.682 1.00 0.58 C ATOM 1005 OE1 GLU A 64 11.643 6.087 7.298 1.00 0.73 O ATOM 1006 OE2 GLU A 64 12.951 5.370 8.850 1.00 1.67 O ATOM 0 H GLU A 64 12.839 1.133 5.788 1.00 0.36 H new ATOM 0 HA GLU A 64 12.962 3.308 3.881 1.00 0.32 H new ATOM 0 HB2 GLU A 64 11.669 4.046 5.606 1.00 0.46 H new ATOM 0 HB3 GLU A 64 12.330 2.865 6.720 1.00 0.46 H new ATOM 0 HG2 GLU A 64 14.329 4.273 7.106 1.00 0.58 H new ATOM 0 HG3 GLU A 64 13.807 5.412 5.882 1.00 0.58 H new ATOM 1013 N LYS A 65 15.659 2.582 5.575 1.00 0.46 N ATOM 1014 CA LYS A 65 17.106 2.921 5.688 1.00 0.56 C ATOM 1015 C LYS A 65 17.958 1.725 5.248 1.00 0.51 C ATOM 1016 O LYS A 65 19.061 1.532 5.720 1.00 0.72 O ATOM 1017 CB LYS A 65 17.430 3.272 7.142 1.00 0.75 C ATOM 1018 CG LYS A 65 17.700 4.773 7.259 1.00 0.78 C ATOM 1019 CD LYS A 65 18.918 5.141 6.410 1.00 2.21 C ATOM 1020 CE LYS A 65 20.083 5.519 7.326 1.00 2.15 C ATOM 1021 NZ LYS A 65 20.716 4.281 7.864 1.00 2.45 N ATOM 0 H LYS A 65 15.376 1.723 6.046 1.00 0.46 H new ATOM 0 HA LYS A 65 17.329 3.773 5.045 1.00 0.56 H new ATOM 0 HB2 LYS A 65 16.599 2.990 7.789 1.00 0.75 H new ATOM 0 HB3 LYS A 65 18.300 2.708 7.478 1.00 0.75 H new ATOM 0 HG2 LYS A 65 16.828 5.337 6.927 1.00 0.78 H new ATOM 0 HG3 LYS A 65 17.875 5.041 8.301 1.00 0.78 H new ATOM 0 HD2 LYS A 65 19.199 4.301 5.775 1.00 2.21 H new ATOM 0 HD3 LYS A 65 18.676 5.974 5.749 1.00 2.21 H new ATOM 0 HE2 LYS A 65 20.818 6.105 6.774 1.00 2.15 H new ATOM 0 HE3 LYS A 65 19.727 6.144 8.145 1.00 2.15 H new ATOM 0 HZ1 LYS A 65 21.508 4.539 8.487 1.00 2.45 H new ATOM 0 HZ2 LYS A 65 20.013 3.738 8.405 1.00 2.45 H new ATOM 0 HZ3 LYS A 65 21.069 3.701 7.076 1.00 2.45 H new ATOM 1035 N ASP A 66 17.461 0.923 4.345 1.00 0.39 N ATOM 1036 CA ASP A 66 18.252 -0.252 3.878 1.00 0.45 C ATOM 1037 C ASP A 66 19.058 0.142 2.638 1.00 0.48 C ATOM 1038 O ASP A 66 18.572 0.828 1.760 1.00 0.58 O ATOM 1039 CB ASP A 66 17.308 -1.404 3.519 1.00 0.41 C ATOM 1040 CG ASP A 66 17.192 -2.384 4.694 1.00 0.70 C ATOM 1041 OD1 ASP A 66 18.067 -2.373 5.546 1.00 0.95 O ATOM 1042 OD2 ASP A 66 16.231 -3.136 4.720 1.00 1.33 O ATOM 0 H ASP A 66 16.544 1.030 3.912 1.00 0.39 H new ATOM 0 HA ASP A 66 18.926 -0.571 4.673 1.00 0.45 H new ATOM 0 HB2 ASP A 66 16.323 -1.011 3.266 1.00 0.41 H new ATOM 0 HB3 ASP A 66 17.679 -1.926 2.637 1.00 0.41 H new ATOM 1047 N THR A 67 20.285 -0.287 2.562 1.00 0.41 N ATOM 1048 CA THR A 67 21.130 0.057 1.385 1.00 0.45 C ATOM 1049 C THR A 67 20.667 -0.745 0.165 1.00 0.52 C ATOM 1050 O THR A 67 20.814 -0.316 -0.963 1.00 0.46 O ATOM 1051 CB THR A 67 22.586 -0.287 1.703 1.00 0.41 C ATOM 1052 OG1 THR A 67 22.897 0.164 3.013 1.00 0.87 O ATOM 1053 CG2 THR A 67 23.515 0.393 0.697 1.00 1.35 C ATOM 0 H THR A 67 20.742 -0.864 3.268 1.00 0.41 H new ATOM 0 HA THR A 67 21.041 1.121 1.166 1.00 0.45 H new ATOM 0 HB THR A 67 22.723 -1.367 1.641 1.00 0.41 H new ATOM 0 HG1 THR A 67 23.829 -0.056 3.222 1.00 0.87 H new ATOM 0 HG21 THR A 67 24.550 0.143 0.931 1.00 1.35 H new ATOM 0 HG22 THR A 67 23.277 0.048 -0.309 1.00 1.35 H new ATOM 0 HG23 THR A 67 23.382 1.473 0.751 1.00 1.35 H new ATOM 1061 N ARG A 68 20.113 -1.908 0.381 1.00 0.75 N ATOM 1062 CA ARG A 68 19.648 -2.742 -0.766 1.00 0.85 C ATOM 1063 C ARG A 68 18.620 -1.973 -1.600 1.00 0.93 C ATOM 1064 O ARG A 68 18.634 -2.020 -2.814 1.00 1.06 O ATOM 1065 CB ARG A 68 18.989 -4.020 -0.236 1.00 1.05 C ATOM 1066 CG ARG A 68 20.014 -5.156 -0.190 1.00 1.24 C ATOM 1067 CD ARG A 68 19.555 -6.214 0.815 1.00 1.44 C ATOM 1068 NE ARG A 68 20.650 -6.481 1.792 1.00 2.17 N ATOM 1069 CZ ARG A 68 20.415 -7.118 2.917 1.00 2.78 C ATOM 1070 NH1 ARG A 68 19.210 -7.539 3.223 1.00 3.03 N ATOM 1071 NH2 ARG A 68 21.398 -7.335 3.746 1.00 3.63 N ATOM 0 H ARG A 68 19.962 -2.317 1.303 1.00 0.75 H new ATOM 0 HA ARG A 68 20.509 -2.990 -1.387 1.00 0.85 H new ATOM 0 HB2 ARG A 68 18.584 -3.844 0.760 1.00 1.05 H new ATOM 0 HB3 ARG A 68 18.152 -4.300 -0.876 1.00 1.05 H new ATOM 0 HG2 ARG A 68 20.124 -5.601 -1.179 1.00 1.24 H new ATOM 0 HG3 ARG A 68 20.992 -4.767 0.095 1.00 1.24 H new ATOM 0 HD2 ARG A 68 18.662 -5.871 1.338 1.00 1.44 H new ATOM 0 HD3 ARG A 68 19.286 -7.133 0.294 1.00 1.44 H new ATOM 0 HE ARG A 68 21.597 -6.164 1.583 1.00 2.17 H new ATOM 0 HH11 ARG A 68 18.434 -7.374 2.582 1.00 3.03 H new ATOM 0 HH12 ARG A 68 19.050 -8.032 4.102 1.00 3.03 H new ATOM 0 HH21 ARG A 68 22.338 -7.011 3.518 1.00 3.63 H new ATOM 0 HH22 ARG A 68 21.227 -7.828 4.622 1.00 3.63 H new ATOM 1085 N CYS A 69 17.711 -1.286 -0.961 1.00 0.94 N ATOM 1086 CA CYS A 69 16.665 -0.541 -1.724 1.00 1.09 C ATOM 1087 C CYS A 69 17.173 0.842 -2.144 1.00 1.02 C ATOM 1088 O CYS A 69 16.635 1.453 -3.046 1.00 1.18 O ATOM 1089 CB CYS A 69 15.422 -0.373 -0.848 1.00 1.22 C ATOM 1090 SG CYS A 69 13.951 -0.860 -1.786 1.00 1.89 S ATOM 0 H CYS A 69 17.647 -1.208 0.054 1.00 0.94 H new ATOM 0 HA CYS A 69 16.422 -1.111 -2.621 1.00 1.09 H new ATOM 0 HB2 CYS A 69 15.512 -0.984 0.050 1.00 1.22 H new ATOM 0 HB3 CYS A 69 15.332 0.663 -0.521 1.00 1.22 H new ATOM 1095 N LEU A 70 18.186 1.354 -1.501 1.00 0.84 N ATOM 1096 CA LEU A 70 18.687 2.706 -1.884 1.00 0.89 C ATOM 1097 C LEU A 70 19.342 2.643 -3.266 1.00 1.03 C ATOM 1098 O LEU A 70 18.724 2.955 -4.263 1.00 1.45 O ATOM 1099 CB LEU A 70 19.697 3.199 -0.843 1.00 0.67 C ATOM 1100 CG LEU A 70 18.957 3.700 0.404 1.00 0.83 C ATOM 1101 CD1 LEU A 70 19.969 4.193 1.439 1.00 0.48 C ATOM 1102 CD2 LEU A 70 18.024 4.856 0.027 1.00 1.22 C ATOM 0 H LEU A 70 18.685 0.901 -0.735 1.00 0.84 H new ATOM 0 HA LEU A 70 17.850 3.403 -1.921 1.00 0.89 H new ATOM 0 HB2 LEU A 70 20.378 2.392 -0.573 1.00 0.67 H new ATOM 0 HB3 LEU A 70 20.304 4.001 -1.263 1.00 0.67 H new ATOM 0 HG LEU A 70 18.372 2.880 0.821 1.00 0.83 H new ATOM 0 HD11 LEU A 70 19.441 4.548 2.324 1.00 0.48 H new ATOM 0 HD12 LEU A 70 20.633 3.375 1.717 1.00 0.48 H new ATOM 0 HD13 LEU A 70 20.556 5.008 1.015 1.00 0.48 H new ATOM 0 HD21 LEU A 70 17.502 5.207 0.917 1.00 1.22 H new ATOM 0 HD22 LEU A 70 18.609 5.673 -0.396 1.00 1.22 H new ATOM 0 HD23 LEU A 70 17.297 4.512 -0.708 1.00 1.22 H new ATOM 1114 N GLY A 71 20.582 2.244 -3.340 1.00 0.69 N ATOM 1115 CA GLY A 71 21.251 2.169 -4.670 1.00 0.82 C ATOM 1116 C GLY A 71 22.611 2.864 -4.606 1.00 0.77 C ATOM 1117 O GLY A 71 23.040 3.319 -3.563 1.00 0.57 O ATOM 0 H GLY A 71 21.157 1.969 -2.544 1.00 0.69 H new ATOM 0 HA2 GLY A 71 21.378 1.127 -4.965 1.00 0.82 H new ATOM 0 HA3 GLY A 71 20.627 2.641 -5.428 1.00 0.82 H new ATOM 1121 N ALA A 72 23.297 2.944 -5.712 1.00 1.43 N ATOM 1122 CA ALA A 72 24.632 3.603 -5.711 1.00 1.41 C ATOM 1123 C ALA A 72 24.554 4.943 -6.453 1.00 1.61 C ATOM 1124 O ALA A 72 25.526 5.405 -7.016 1.00 1.78 O ATOM 1125 CB ALA A 72 25.648 2.687 -6.401 1.00 1.44 C ATOM 0 H ALA A 72 22.991 2.582 -6.615 1.00 1.43 H new ATOM 0 HA ALA A 72 24.945 3.786 -4.683 1.00 1.41 H new ATOM 0 HB1 ALA A 72 26.627 3.166 -6.403 1.00 1.44 H new ATOM 0 HB2 ALA A 72 25.708 1.740 -5.864 1.00 1.44 H new ATOM 0 HB3 ALA A 72 25.333 2.502 -7.428 1.00 1.44 H new ATOM 1131 N THR A 73 23.408 5.573 -6.456 1.00 1.66 N ATOM 1132 CA THR A 73 23.278 6.885 -7.155 1.00 1.87 C ATOM 1133 C THR A 73 22.760 7.935 -6.169 1.00 1.67 C ATOM 1134 O THR A 73 21.855 7.680 -5.400 1.00 1.70 O ATOM 1135 CB THR A 73 22.293 6.750 -8.321 1.00 2.10 C ATOM 1136 OG1 THR A 73 21.835 5.408 -8.397 1.00 2.69 O ATOM 1137 CG2 THR A 73 22.993 7.130 -9.626 1.00 2.08 C ATOM 0 H THR A 73 22.558 5.236 -6.005 1.00 1.66 H new ATOM 0 HA THR A 73 24.251 7.191 -7.538 1.00 1.87 H new ATOM 0 HB THR A 73 21.444 7.414 -8.161 1.00 2.10 H new ATOM 0 HG1 THR A 73 21.203 5.320 -9.141 1.00 2.69 H new ATOM 0 HG21 THR A 73 22.293 7.034 -10.456 1.00 2.08 H new ATOM 0 HG22 THR A 73 23.344 8.160 -9.564 1.00 2.08 H new ATOM 0 HG23 THR A 73 23.842 6.467 -9.790 1.00 2.08 H new ATOM 1145 N ALA A 74 23.328 9.111 -6.179 1.00 1.52 N ATOM 1146 CA ALA A 74 22.867 10.171 -5.232 1.00 1.37 C ATOM 1147 C ALA A 74 21.460 10.633 -5.612 1.00 1.18 C ATOM 1148 O ALA A 74 20.665 10.992 -4.766 1.00 1.09 O ATOM 1149 CB ALA A 74 23.822 11.366 -5.291 1.00 1.39 C ATOM 0 H ALA A 74 24.090 9.385 -6.800 1.00 1.52 H new ATOM 0 HA ALA A 74 22.854 9.761 -4.222 1.00 1.37 H new ATOM 0 HB1 ALA A 74 23.483 12.137 -4.599 1.00 1.39 H new ATOM 0 HB2 ALA A 74 24.825 11.044 -5.012 1.00 1.39 H new ATOM 0 HB3 ALA A 74 23.839 11.769 -6.304 1.00 1.39 H new ATOM 1155 N GLN A 75 21.145 10.638 -6.877 1.00 1.12 N ATOM 1156 CA GLN A 75 19.791 11.088 -7.303 1.00 0.94 C ATOM 1157 C GLN A 75 18.737 10.149 -6.714 1.00 0.80 C ATOM 1158 O GLN A 75 17.647 10.560 -6.363 1.00 0.74 O ATOM 1159 CB GLN A 75 19.706 11.061 -8.832 1.00 0.99 C ATOM 1160 CG GLN A 75 20.687 12.079 -9.419 1.00 1.01 C ATOM 1161 CD GLN A 75 19.956 13.393 -9.700 1.00 0.72 C ATOM 1162 OE1 GLN A 75 19.937 14.283 -8.872 1.00 1.91 O ATOM 1163 NE2 GLN A 75 19.349 13.554 -10.845 1.00 1.27 N ATOM 0 H GLN A 75 21.766 10.350 -7.633 1.00 1.12 H new ATOM 0 HA GLN A 75 19.612 12.103 -6.947 1.00 0.94 H new ATOM 0 HB2 GLN A 75 19.938 10.062 -9.202 1.00 0.99 H new ATOM 0 HB3 GLN A 75 18.691 11.292 -9.154 1.00 0.99 H new ATOM 0 HG2 GLN A 75 21.509 12.250 -8.724 1.00 1.01 H new ATOM 0 HG3 GLN A 75 21.123 11.690 -10.339 1.00 1.01 H new ATOM 0 HE21 GLN A 75 19.365 12.808 -11.540 1.00 1.27 H new ATOM 0 HE22 GLN A 75 18.859 14.426 -11.044 1.00 1.27 H new ATOM 1172 N GLN A 76 19.057 8.890 -6.603 1.00 0.77 N ATOM 1173 CA GLN A 76 18.084 7.914 -6.041 1.00 0.67 C ATOM 1174 C GLN A 76 17.837 8.221 -4.560 1.00 0.56 C ATOM 1175 O GLN A 76 16.787 7.929 -4.021 1.00 0.45 O ATOM 1176 CB GLN A 76 18.653 6.501 -6.183 1.00 0.76 C ATOM 1177 CG GLN A 76 17.965 5.790 -7.351 1.00 1.04 C ATOM 1178 CD GLN A 76 16.660 5.155 -6.865 1.00 1.90 C ATOM 1179 OE1 GLN A 76 16.533 4.805 -5.708 1.00 2.69 O ATOM 1180 NE2 GLN A 76 15.677 4.992 -7.706 1.00 2.59 N ATOM 0 H GLN A 76 19.955 8.494 -6.879 1.00 0.77 H new ATOM 0 HA GLN A 76 17.141 7.988 -6.582 1.00 0.67 H new ATOM 0 HB2 GLN A 76 19.729 6.546 -6.353 1.00 0.76 H new ATOM 0 HB3 GLN A 76 18.499 5.941 -5.261 1.00 0.76 H new ATOM 0 HG2 GLN A 76 17.760 6.500 -8.153 1.00 1.04 H new ATOM 0 HG3 GLN A 76 18.623 5.025 -7.763 1.00 1.04 H new ATOM 0 HE21 GLN A 76 15.783 5.285 -8.677 1.00 2.59 H new ATOM 0 HE22 GLN A 76 14.802 4.571 -7.393 1.00 2.59 H new ATOM 1189 N PHE A 77 18.801 8.798 -3.900 1.00 0.61 N ATOM 1190 CA PHE A 77 18.639 9.118 -2.452 1.00 0.54 C ATOM 1191 C PHE A 77 17.516 10.144 -2.253 1.00 0.45 C ATOM 1192 O PHE A 77 16.770 10.084 -1.293 1.00 0.30 O ATOM 1193 CB PHE A 77 19.955 9.707 -1.934 1.00 0.69 C ATOM 1194 CG PHE A 77 20.629 8.725 -1.009 1.00 1.38 C ATOM 1195 CD1 PHE A 77 21.336 7.640 -1.539 1.00 2.11 C ATOM 1196 CD2 PHE A 77 20.553 8.901 0.378 1.00 1.53 C ATOM 1197 CE1 PHE A 77 21.968 6.729 -0.683 1.00 2.76 C ATOM 1198 CE2 PHE A 77 21.184 7.991 1.235 1.00 2.25 C ATOM 1199 CZ PHE A 77 21.893 6.905 0.704 1.00 2.79 C ATOM 0 H PHE A 77 19.700 9.064 -4.302 1.00 0.61 H new ATOM 0 HA PHE A 77 18.384 8.209 -1.907 1.00 0.54 H new ATOM 0 HB2 PHE A 77 20.613 9.942 -2.771 1.00 0.69 H new ATOM 0 HB3 PHE A 77 19.763 10.642 -1.408 1.00 0.69 H new ATOM 0 HD1 PHE A 77 21.394 7.505 -2.609 1.00 2.11 H new ATOM 0 HD2 PHE A 77 20.008 9.739 0.787 1.00 1.53 H new ATOM 0 HE1 PHE A 77 22.513 5.891 -1.093 1.00 2.76 H new ATOM 0 HE2 PHE A 77 21.124 8.126 2.305 1.00 2.25 H new ATOM 0 HZ PHE A 77 22.381 6.204 1.365 1.00 2.79 H new ATOM 1209 N HIS A 78 17.407 11.098 -3.136 1.00 0.64 N ATOM 1210 CA HIS A 78 16.358 12.151 -2.986 1.00 0.56 C ATOM 1211 C HIS A 78 14.986 11.642 -3.441 1.00 0.48 C ATOM 1212 O HIS A 78 13.984 11.898 -2.805 1.00 0.39 O ATOM 1213 CB HIS A 78 16.747 13.365 -3.833 1.00 0.58 C ATOM 1214 CG HIS A 78 15.622 14.362 -3.839 1.00 0.72 C ATOM 1215 ND1 HIS A 78 15.318 15.137 -2.731 1.00 1.00 N ATOM 1216 CD2 HIS A 78 14.729 14.733 -4.813 1.00 2.32 C ATOM 1217 CE1 HIS A 78 14.283 15.930 -3.062 1.00 0.38 C ATOM 1218 NE2 HIS A 78 13.883 15.722 -4.320 1.00 1.71 N ATOM 0 H HIS A 78 18.001 11.196 -3.959 1.00 0.64 H new ATOM 0 HA HIS A 78 16.290 12.421 -1.932 1.00 0.56 H new ATOM 0 HB2 HIS A 78 17.651 13.825 -3.433 1.00 0.58 H new ATOM 0 HB3 HIS A 78 16.973 13.052 -4.852 1.00 0.58 H new ATOM 0 HD2 HIS A 78 14.689 14.320 -5.810 1.00 2.32 H new ATOM 0 HE1 HIS A 78 13.831 16.647 -2.393 1.00 0.38 H new ATOM 0 HE2 HIS A 78 13.121 16.188 -4.813 1.00 1.71 H new ATOM 1226 N ARG A 79 14.920 10.952 -4.545 1.00 0.55 N ATOM 1227 CA ARG A 79 13.592 10.468 -5.034 1.00 0.58 C ATOM 1228 C ARG A 79 13.065 9.328 -4.150 1.00 0.66 C ATOM 1229 O ARG A 79 11.885 9.034 -4.150 1.00 0.71 O ATOM 1230 CB ARG A 79 13.713 9.994 -6.483 1.00 0.87 C ATOM 1231 CG ARG A 79 14.780 8.909 -6.590 1.00 1.66 C ATOM 1232 CD ARG A 79 14.688 8.254 -7.971 1.00 2.27 C ATOM 1233 NE ARG A 79 15.796 8.763 -8.834 1.00 2.89 N ATOM 1234 CZ ARG A 79 16.070 8.203 -9.991 1.00 3.90 C ATOM 1235 NH1 ARG A 79 15.353 7.205 -10.451 1.00 4.51 N ATOM 1236 NH2 ARG A 79 17.066 8.659 -10.700 1.00 4.55 N ATOM 0 H ARG A 79 15.719 10.702 -5.128 1.00 0.55 H new ATOM 0 HA ARG A 79 12.884 11.295 -4.983 1.00 0.58 H new ATOM 0 HB2 ARG A 79 12.754 9.608 -6.829 1.00 0.87 H new ATOM 0 HB3 ARG A 79 13.970 10.834 -7.129 1.00 0.87 H new ATOM 0 HG2 ARG A 79 15.771 9.339 -6.443 1.00 1.66 H new ATOM 0 HG3 ARG A 79 14.637 8.162 -5.809 1.00 1.66 H new ATOM 0 HD2 ARG A 79 14.753 7.170 -7.877 1.00 2.27 H new ATOM 0 HD3 ARG A 79 13.724 8.477 -8.428 1.00 2.27 H new ATOM 0 HE ARG A 79 16.350 9.560 -8.520 1.00 2.89 H new ATOM 0 HH11 ARG A 79 14.566 6.850 -9.908 1.00 4.51 H new ATOM 0 HH12 ARG A 79 15.583 6.785 -11.351 1.00 4.51 H new ATOM 0 HH21 ARG A 79 17.622 9.441 -10.355 1.00 4.55 H new ATOM 0 HH22 ARG A 79 17.289 8.233 -11.600 1.00 4.55 H new ATOM 1250 N HIS A 80 13.911 8.691 -3.388 1.00 0.69 N ATOM 1251 CA HIS A 80 13.427 7.589 -2.508 1.00 0.81 C ATOM 1252 C HIS A 80 12.997 8.187 -1.164 1.00 0.59 C ATOM 1253 O HIS A 80 12.040 7.747 -0.542 1.00 0.49 O ATOM 1254 CB HIS A 80 14.557 6.577 -2.298 1.00 1.15 C ATOM 1255 CG HIS A 80 14.358 5.841 -1.001 1.00 0.55 C ATOM 1256 ND1 HIS A 80 13.642 4.656 -0.924 1.00 0.69 N ATOM 1257 CD2 HIS A 80 14.788 6.102 0.275 1.00 0.84 C ATOM 1258 CE1 HIS A 80 13.664 4.252 0.360 1.00 0.12 C ATOM 1259 NE2 HIS A 80 14.348 5.097 1.133 1.00 0.95 N ATOM 0 H HIS A 80 14.911 8.884 -3.336 1.00 0.69 H new ATOM 0 HA HIS A 80 12.579 7.081 -2.968 1.00 0.81 H new ATOM 0 HB2 HIS A 80 14.580 5.869 -3.127 1.00 1.15 H new ATOM 0 HB3 HIS A 80 15.519 7.090 -2.290 1.00 1.15 H new ATOM 0 HD2 HIS A 80 15.378 6.957 0.570 1.00 0.84 H new ATOM 0 HE1 HIS A 80 13.186 3.353 0.720 1.00 0.12 H new ATOM 0 HE2 HIS A 80 14.513 5.023 2.137 1.00 0.95 H new ATOM 1267 N LYS A 81 13.692 9.201 -0.721 1.00 0.61 N ATOM 1268 CA LYS A 81 13.333 9.850 0.570 1.00 0.64 C ATOM 1269 C LYS A 81 11.857 10.250 0.544 1.00 0.47 C ATOM 1270 O LYS A 81 11.187 10.264 1.556 1.00 0.62 O ATOM 1271 CB LYS A 81 14.190 11.103 0.755 1.00 0.78 C ATOM 1272 CG LYS A 81 15.395 10.771 1.635 1.00 2.02 C ATOM 1273 CD LYS A 81 15.368 11.650 2.888 1.00 1.42 C ATOM 1274 CE LYS A 81 15.840 10.840 4.097 1.00 2.29 C ATOM 1275 NZ LYS A 81 14.832 9.792 4.420 1.00 3.72 N ATOM 0 H LYS A 81 14.495 9.608 -1.201 1.00 0.61 H new ATOM 0 HA LYS A 81 13.509 9.156 1.392 1.00 0.64 H new ATOM 0 HB2 LYS A 81 14.525 11.474 -0.214 1.00 0.78 H new ATOM 0 HB3 LYS A 81 13.599 11.896 1.213 1.00 0.78 H new ATOM 0 HG2 LYS A 81 15.375 9.718 1.916 1.00 2.02 H new ATOM 0 HG3 LYS A 81 16.320 10.936 1.082 1.00 2.02 H new ATOM 0 HD2 LYS A 81 16.010 12.520 2.748 1.00 1.42 H new ATOM 0 HD3 LYS A 81 14.359 12.024 3.060 1.00 1.42 H new ATOM 0 HE2 LYS A 81 16.804 10.378 3.884 1.00 2.29 H new ATOM 0 HE3 LYS A 81 15.984 11.497 4.954 1.00 2.29 H new ATOM 0 HZ1 LYS A 81 14.850 9.596 5.441 1.00 3.72 H new ATOM 0 HZ2 LYS A 81 13.885 10.125 4.148 1.00 3.72 H new ATOM 0 HZ3 LYS A 81 15.056 8.922 3.897 1.00 3.72 H new ATOM 1289 N GLN A 82 11.347 10.576 -0.611 1.00 0.25 N ATOM 1290 CA GLN A 82 9.918 10.975 -0.709 1.00 0.34 C ATOM 1291 C GLN A 82 9.034 9.739 -0.556 1.00 0.43 C ATOM 1292 O GLN A 82 8.006 9.782 0.087 1.00 0.75 O ATOM 1293 CB GLN A 82 9.665 11.617 -2.073 1.00 0.34 C ATOM 1294 CG GLN A 82 9.809 13.134 -1.951 1.00 0.68 C ATOM 1295 CD GLN A 82 8.432 13.784 -2.084 1.00 1.35 C ATOM 1296 OE1 GLN A 82 8.184 14.526 -3.013 1.00 1.32 O ATOM 1297 NE2 GLN A 82 7.518 13.532 -1.187 1.00 2.78 N ATOM 0 H GLN A 82 11.860 10.583 -1.492 1.00 0.25 H new ATOM 0 HA GLN A 82 9.683 11.689 0.080 1.00 0.34 H new ATOM 0 HB2 GLN A 82 10.373 11.231 -2.807 1.00 0.34 H new ATOM 0 HB3 GLN A 82 8.667 11.362 -2.428 1.00 0.34 H new ATOM 0 HG2 GLN A 82 10.255 13.393 -0.990 1.00 0.68 H new ATOM 0 HG3 GLN A 82 10.478 13.511 -2.725 1.00 0.68 H new ATOM 0 HE21 GLN A 82 7.727 12.909 -0.407 1.00 2.78 H new ATOM 0 HE22 GLN A 82 6.595 13.958 -1.266 1.00 2.78 H new ATOM 1306 N LEU A 83 9.427 8.640 -1.139 1.00 0.22 N ATOM 1307 CA LEU A 83 8.612 7.397 -1.026 1.00 0.32 C ATOM 1308 C LEU A 83 8.342 7.099 0.449 1.00 0.33 C ATOM 1309 O LEU A 83 7.323 6.541 0.805 1.00 0.45 O ATOM 1310 CB LEU A 83 9.381 6.228 -1.643 1.00 0.36 C ATOM 1311 CG LEU A 83 8.522 4.961 -1.592 1.00 0.53 C ATOM 1312 CD1 LEU A 83 8.741 4.144 -2.868 1.00 0.38 C ATOM 1313 CD2 LEU A 83 8.924 4.117 -0.378 1.00 0.99 C ATOM 0 H LEU A 83 10.280 8.549 -1.691 1.00 0.22 H new ATOM 0 HA LEU A 83 7.667 7.533 -1.552 1.00 0.32 H new ATOM 0 HB2 LEU A 83 9.646 6.458 -2.675 1.00 0.36 H new ATOM 0 HB3 LEU A 83 10.314 6.068 -1.103 1.00 0.36 H new ATOM 0 HG LEU A 83 7.472 5.241 -1.511 1.00 0.53 H new ATOM 0 HD11 LEU A 83 8.130 3.242 -2.832 1.00 0.38 H new ATOM 0 HD12 LEU A 83 8.457 4.740 -3.735 1.00 0.38 H new ATOM 0 HD13 LEU A 83 9.792 3.867 -2.947 1.00 0.38 H new ATOM 0 HD21 LEU A 83 8.312 3.216 -0.343 1.00 0.99 H new ATOM 0 HD22 LEU A 83 9.975 3.839 -0.460 1.00 0.99 H new ATOM 0 HD23 LEU A 83 8.772 4.695 0.534 1.00 0.99 H new ATOM 1325 N ILE A 84 9.253 7.462 1.310 1.00 0.34 N ATOM 1326 CA ILE A 84 9.049 7.190 2.765 1.00 0.43 C ATOM 1327 C ILE A 84 7.848 7.990 3.289 1.00 0.38 C ATOM 1328 O ILE A 84 7.023 7.479 4.022 1.00 0.37 O ATOM 1329 CB ILE A 84 10.298 7.601 3.550 1.00 0.55 C ATOM 1330 CG1 ILE A 84 11.549 7.032 2.873 1.00 0.75 C ATOM 1331 CG2 ILE A 84 10.202 7.053 4.974 1.00 0.57 C ATOM 1332 CD1 ILE A 84 11.316 5.562 2.526 1.00 0.75 C ATOM 0 H ILE A 84 10.126 7.933 1.073 1.00 0.34 H new ATOM 0 HA ILE A 84 8.863 6.124 2.896 1.00 0.43 H new ATOM 0 HB ILE A 84 10.365 8.689 3.575 1.00 0.55 H new ATOM 0 HG12 ILE A 84 11.776 7.598 1.970 1.00 0.75 H new ATOM 0 HG13 ILE A 84 12.410 7.129 3.535 1.00 0.75 H new ATOM 0 HG21 ILE A 84 11.089 7.343 5.536 1.00 0.57 H new ATOM 0 HG22 ILE A 84 9.315 7.459 5.461 1.00 0.57 H new ATOM 0 HG23 ILE A 84 10.133 5.966 4.942 1.00 0.57 H new ATOM 0 HD11 ILE A 84 12.206 5.156 2.044 1.00 0.75 H new ATOM 0 HD12 ILE A 84 11.109 5.001 3.438 1.00 0.75 H new ATOM 0 HD13 ILE A 84 10.466 5.478 1.848 1.00 0.75 H new ATOM 1344 N ARG A 85 7.754 9.244 2.936 1.00 0.39 N ATOM 1345 CA ARG A 85 6.621 10.084 3.429 1.00 0.40 C ATOM 1346 C ARG A 85 5.291 9.590 2.854 1.00 0.37 C ATOM 1347 O ARG A 85 4.330 9.382 3.569 1.00 0.39 O ATOM 1348 CB ARG A 85 6.840 11.534 2.990 1.00 0.47 C ATOM 1349 CG ARG A 85 7.507 12.326 4.116 1.00 0.71 C ATOM 1350 CD ARG A 85 8.895 11.748 4.398 1.00 2.16 C ATOM 1351 NE ARG A 85 9.797 12.838 4.875 1.00 2.53 N ATOM 1352 CZ ARG A 85 10.938 12.567 5.466 1.00 3.89 C ATOM 1353 NH1 ARG A 85 11.323 11.330 5.671 1.00 5.20 N ATOM 1354 NH2 ARG A 85 11.701 13.550 5.861 1.00 4.30 N ATOM 0 H ARG A 85 8.414 9.725 2.326 1.00 0.39 H new ATOM 0 HA ARG A 85 6.585 10.016 4.516 1.00 0.40 H new ATOM 0 HB2 ARG A 85 7.463 11.562 2.096 1.00 0.47 H new ATOM 0 HB3 ARG A 85 5.886 11.991 2.728 1.00 0.47 H new ATOM 0 HG2 ARG A 85 7.589 13.376 3.836 1.00 0.71 H new ATOM 0 HG3 ARG A 85 6.894 12.283 5.017 1.00 0.71 H new ATOM 0 HD2 ARG A 85 8.828 10.961 5.149 1.00 2.16 H new ATOM 0 HD3 ARG A 85 9.302 11.293 3.495 1.00 2.16 H new ATOM 0 HE ARG A 85 9.522 13.811 4.739 1.00 2.53 H new ATOM 0 HH11 ARG A 85 10.732 10.555 5.369 1.00 5.20 H new ATOM 0 HH12 ARG A 85 12.213 11.143 6.132 1.00 5.20 H new ATOM 0 HH21 ARG A 85 11.408 14.515 5.709 1.00 4.30 H new ATOM 0 HH22 ARG A 85 12.590 13.353 6.321 1.00 4.30 H new ATOM 1368 N PHE A 86 5.224 9.426 1.566 1.00 0.40 N ATOM 1369 CA PHE A 86 3.957 8.976 0.923 1.00 0.36 C ATOM 1370 C PHE A 86 3.431 7.703 1.590 1.00 0.32 C ATOM 1371 O PHE A 86 2.276 7.616 1.953 1.00 0.47 O ATOM 1372 CB PHE A 86 4.219 8.707 -0.560 1.00 0.37 C ATOM 1373 CG PHE A 86 3.323 9.591 -1.390 1.00 0.42 C ATOM 1374 CD1 PHE A 86 1.939 9.392 -1.374 1.00 0.80 C ATOM 1375 CD2 PHE A 86 3.875 10.612 -2.173 1.00 0.30 C ATOM 1376 CE1 PHE A 86 1.105 10.213 -2.140 1.00 0.89 C ATOM 1377 CE2 PHE A 86 3.041 11.434 -2.939 1.00 0.36 C ATOM 1378 CZ PHE A 86 1.656 11.235 -2.924 1.00 0.61 C ATOM 0 H PHE A 86 5.999 9.585 0.922 1.00 0.40 H new ATOM 0 HA PHE A 86 3.206 9.758 1.036 1.00 0.36 H new ATOM 0 HB2 PHE A 86 5.265 8.903 -0.798 1.00 0.37 H new ATOM 0 HB3 PHE A 86 4.030 7.659 -0.791 1.00 0.37 H new ATOM 0 HD1 PHE A 86 1.514 8.604 -0.770 1.00 0.80 H new ATOM 0 HD2 PHE A 86 4.944 10.765 -2.186 1.00 0.30 H new ATOM 0 HE1 PHE A 86 0.036 10.059 -2.127 1.00 0.89 H new ATOM 0 HE2 PHE A 86 3.466 12.222 -3.542 1.00 0.36 H new ATOM 0 HZ PHE A 86 1.012 11.869 -3.516 1.00 0.61 H new ATOM 1388 N LEU A 87 4.259 6.710 1.737 1.00 0.16 N ATOM 1389 CA LEU A 87 3.795 5.435 2.364 1.00 0.17 C ATOM 1390 C LEU A 87 3.261 5.697 3.779 1.00 0.14 C ATOM 1391 O LEU A 87 2.269 5.128 4.192 1.00 0.17 O ATOM 1392 CB LEU A 87 4.967 4.457 2.437 1.00 0.20 C ATOM 1393 CG LEU A 87 4.450 3.030 2.264 1.00 0.71 C ATOM 1394 CD1 LEU A 87 5.539 2.165 1.630 1.00 1.16 C ATOM 1395 CD2 LEU A 87 4.074 2.457 3.633 1.00 1.52 C ATOM 0 H LEU A 87 5.238 6.722 1.451 1.00 0.16 H new ATOM 0 HA LEU A 87 2.993 5.013 1.759 1.00 0.17 H new ATOM 0 HB2 LEU A 87 5.696 4.688 1.660 1.00 0.20 H new ATOM 0 HB3 LEU A 87 5.479 4.556 3.394 1.00 0.20 H new ATOM 0 HG LEU A 87 3.572 3.037 1.618 1.00 0.71 H new ATOM 0 HD11 LEU A 87 5.169 1.147 1.507 1.00 1.16 H new ATOM 0 HD12 LEU A 87 5.807 2.574 0.656 1.00 1.16 H new ATOM 0 HD13 LEU A 87 6.418 2.156 2.274 1.00 1.16 H new ATOM 0 HD21 LEU A 87 3.705 1.439 3.512 1.00 1.52 H new ATOM 0 HD22 LEU A 87 4.952 2.450 4.278 1.00 1.52 H new ATOM 0 HD23 LEU A 87 3.297 3.074 4.085 1.00 1.52 H new ATOM 1407 N LYS A 88 3.918 6.535 4.531 1.00 0.16 N ATOM 1408 CA LYS A 88 3.454 6.811 5.924 1.00 0.23 C ATOM 1409 C LYS A 88 2.009 7.320 5.919 1.00 0.31 C ATOM 1410 O LYS A 88 1.203 6.933 6.743 1.00 0.38 O ATOM 1411 CB LYS A 88 4.357 7.873 6.555 1.00 0.25 C ATOM 1412 CG LYS A 88 5.668 7.228 7.014 1.00 0.40 C ATOM 1413 CD LYS A 88 6.438 8.211 7.900 1.00 0.46 C ATOM 1414 CE LYS A 88 7.930 7.873 7.873 1.00 1.61 C ATOM 1415 NZ LYS A 88 8.498 8.025 9.243 1.00 2.25 N ATOM 0 H LYS A 88 4.756 7.041 4.244 1.00 0.16 H new ATOM 0 HA LYS A 88 3.501 5.886 6.499 1.00 0.23 H new ATOM 0 HB2 LYS A 88 4.563 8.664 5.834 1.00 0.25 H new ATOM 0 HB3 LYS A 88 3.852 8.337 7.402 1.00 0.25 H new ATOM 0 HG2 LYS A 88 5.461 6.311 7.565 1.00 0.40 H new ATOM 0 HG3 LYS A 88 6.272 6.951 6.150 1.00 0.40 H new ATOM 0 HD2 LYS A 88 6.280 9.231 7.550 1.00 0.46 H new ATOM 0 HD3 LYS A 88 6.063 8.164 8.923 1.00 0.46 H new ATOM 0 HE2 LYS A 88 8.076 6.853 7.518 1.00 1.61 H new ATOM 0 HE3 LYS A 88 8.450 8.531 7.177 1.00 1.61 H new ATOM 0 HZ1 LYS A 88 9.512 7.795 9.226 1.00 2.25 H new ATOM 0 HZ2 LYS A 88 8.370 9.006 9.565 1.00 2.25 H new ATOM 0 HZ3 LYS A 88 8.008 7.380 9.895 1.00 2.25 H new ATOM 1429 N ARG A 89 1.678 8.199 5.016 1.00 0.35 N ATOM 1430 CA ARG A 89 0.291 8.748 4.977 1.00 0.45 C ATOM 1431 C ARG A 89 -0.694 7.676 4.498 1.00 0.27 C ATOM 1432 O ARG A 89 -1.840 7.644 4.907 1.00 0.23 O ATOM 1433 CB ARG A 89 0.254 9.940 4.018 1.00 0.63 C ATOM 1434 CG ARG A 89 -1.197 10.347 3.760 1.00 1.01 C ATOM 1435 CD ARG A 89 -1.227 11.747 3.147 1.00 0.77 C ATOM 1436 NE ARG A 89 -2.574 12.002 2.558 1.00 1.84 N ATOM 1437 CZ ARG A 89 -2.934 13.211 2.194 1.00 2.09 C ATOM 1438 NH1 ARG A 89 -2.117 14.229 2.315 1.00 1.54 N ATOM 1439 NH2 ARG A 89 -4.126 13.402 1.698 1.00 3.05 N ATOM 0 H ARG A 89 2.308 8.563 4.301 1.00 0.35 H new ATOM 0 HA ARG A 89 0.003 9.065 5.979 1.00 0.45 H new ATOM 0 HB2 ARG A 89 0.807 10.778 4.442 1.00 0.63 H new ATOM 0 HB3 ARG A 89 0.741 9.679 3.079 1.00 0.63 H new ATOM 0 HG2 ARG A 89 -1.673 9.633 3.088 1.00 1.01 H new ATOM 0 HG3 ARG A 89 -1.762 10.333 4.692 1.00 1.01 H new ATOM 0 HD2 ARG A 89 -1.004 12.494 3.909 1.00 0.77 H new ATOM 0 HD3 ARG A 89 -0.459 11.836 2.378 1.00 0.77 H new ATOM 0 HE ARG A 89 -3.225 11.226 2.436 1.00 1.84 H new ATOM 0 HH11 ARG A 89 -1.182 14.090 2.698 1.00 1.54 H new ATOM 0 HH12 ARG A 89 -2.416 15.160 2.026 1.00 1.54 H new ATOM 0 HH21 ARG A 89 -4.768 12.616 1.596 1.00 3.05 H new ATOM 0 HH22 ARG A 89 -4.416 14.337 1.412 1.00 3.05 H new ATOM 1453 N LEU A 90 -0.261 6.808 3.628 1.00 0.28 N ATOM 1454 CA LEU A 90 -1.169 5.746 3.107 1.00 0.11 C ATOM 1455 C LEU A 90 -1.433 4.684 4.183 1.00 0.25 C ATOM 1456 O LEU A 90 -2.378 3.924 4.093 1.00 0.35 O ATOM 1457 CB LEU A 90 -0.512 5.088 1.890 1.00 0.18 C ATOM 1458 CG LEU A 90 -1.387 3.939 1.387 1.00 0.66 C ATOM 1459 CD1 LEU A 90 -2.811 4.444 1.154 1.00 1.21 C ATOM 1460 CD2 LEU A 90 -0.821 3.408 0.068 1.00 0.63 C ATOM 0 H LEU A 90 0.687 6.787 3.253 1.00 0.28 H new ATOM 0 HA LEU A 90 -2.121 6.196 2.826 1.00 0.11 H new ATOM 0 HB2 LEU A 90 -0.372 5.824 1.098 1.00 0.18 H new ATOM 0 HB3 LEU A 90 0.477 4.715 2.156 1.00 0.18 H new ATOM 0 HG LEU A 90 -1.398 3.142 2.131 1.00 0.66 H new ATOM 0 HD11 LEU A 90 -3.434 3.624 0.796 1.00 1.21 H new ATOM 0 HD12 LEU A 90 -3.219 4.827 2.089 1.00 1.21 H new ATOM 0 HD13 LEU A 90 -2.797 5.241 0.411 1.00 1.21 H new ATOM 0 HD21 LEU A 90 -1.444 2.589 -0.292 1.00 0.63 H new ATOM 0 HD22 LEU A 90 -0.811 4.208 -0.672 1.00 0.63 H new ATOM 0 HD23 LEU A 90 0.196 3.048 0.227 1.00 0.63 H new ATOM 1472 N ASP A 91 -0.604 4.608 5.189 1.00 0.37 N ATOM 1473 CA ASP A 91 -0.814 3.578 6.248 1.00 0.54 C ATOM 1474 C ASP A 91 -2.011 3.949 7.133 1.00 0.48 C ATOM 1475 O ASP A 91 -2.855 3.130 7.420 1.00 0.59 O ATOM 1476 CB ASP A 91 0.442 3.492 7.120 1.00 0.69 C ATOM 1477 CG ASP A 91 0.502 2.123 7.797 1.00 1.09 C ATOM 1478 OD1 ASP A 91 -0.170 1.949 8.800 1.00 1.53 O ATOM 1479 OD2 ASP A 91 1.221 1.270 7.302 1.00 1.43 O ATOM 0 H ASP A 91 0.207 5.212 5.324 1.00 0.37 H new ATOM 0 HA ASP A 91 -1.012 2.619 5.770 1.00 0.54 H new ATOM 0 HB2 ASP A 91 1.332 3.647 6.510 1.00 0.69 H new ATOM 0 HB3 ASP A 91 0.430 4.281 7.872 1.00 0.69 H new ATOM 1484 N ARG A 92 -2.077 5.164 7.592 1.00 0.32 N ATOM 1485 CA ARG A 92 -3.204 5.558 8.487 1.00 0.29 C ATOM 1486 C ARG A 92 -4.473 5.866 7.681 1.00 0.32 C ATOM 1487 O ARG A 92 -5.571 5.743 8.184 1.00 0.33 O ATOM 1488 CB ARG A 92 -2.794 6.802 9.282 1.00 0.18 C ATOM 1489 CG ARG A 92 -2.950 6.545 10.786 1.00 0.40 C ATOM 1490 CD ARG A 92 -2.149 5.304 11.195 1.00 1.07 C ATOM 1491 NE ARG A 92 -1.224 5.648 12.314 1.00 1.78 N ATOM 1492 CZ ARG A 92 -0.668 4.708 13.048 1.00 2.97 C ATOM 1493 NH1 ARG A 92 -0.926 3.438 12.841 1.00 3.67 N ATOM 1494 NH2 ARG A 92 0.155 5.044 14.002 1.00 3.64 N ATOM 0 H ARG A 92 -1.403 5.902 7.389 1.00 0.32 H new ATOM 0 HA ARG A 92 -3.421 4.728 9.159 1.00 0.29 H new ATOM 0 HB2 ARG A 92 -1.760 7.063 9.056 1.00 0.18 H new ATOM 0 HB3 ARG A 92 -3.409 7.651 8.985 1.00 0.18 H new ATOM 0 HG2 ARG A 92 -2.604 7.412 11.349 1.00 0.40 H new ATOM 0 HG3 ARG A 92 -4.003 6.405 11.031 1.00 0.40 H new ATOM 0 HD2 ARG A 92 -2.826 4.507 11.502 1.00 1.07 H new ATOM 0 HD3 ARG A 92 -1.581 4.929 10.343 1.00 1.07 H new ATOM 0 HE ARG A 92 -1.019 6.627 12.513 1.00 1.78 H new ATOM 0 HH11 ARG A 92 -1.569 3.163 12.099 1.00 3.67 H new ATOM 0 HH12 ARG A 92 -0.483 2.726 13.422 1.00 3.67 H new ATOM 0 HH21 ARG A 92 0.362 6.028 14.174 1.00 3.64 H new ATOM 0 HH22 ARG A 92 0.591 4.323 14.577 1.00 3.64 H new ATOM 1508 N ASN A 93 -4.347 6.281 6.455 1.00 0.34 N ATOM 1509 CA ASN A 93 -5.571 6.607 5.663 1.00 0.39 C ATOM 1510 C ASN A 93 -6.269 5.328 5.193 1.00 0.51 C ATOM 1511 O ASN A 93 -7.473 5.199 5.294 1.00 0.68 O ATOM 1512 CB ASN A 93 -5.183 7.438 4.440 1.00 0.36 C ATOM 1513 CG ASN A 93 -5.480 8.921 4.691 1.00 0.52 C ATOM 1514 OD1 ASN A 93 -6.103 9.277 5.671 1.00 1.41 O ATOM 1515 ND2 ASN A 93 -5.056 9.808 3.834 1.00 1.02 N ATOM 0 H ASN A 93 -3.461 6.409 5.967 1.00 0.34 H new ATOM 0 HA ASN A 93 -6.253 7.170 6.300 1.00 0.39 H new ATOM 0 HB2 ASN A 93 -4.124 7.304 4.221 1.00 0.36 H new ATOM 0 HB3 ASN A 93 -5.735 7.092 3.566 1.00 0.36 H new ATOM 0 HD21 ASN A 93 -5.248 10.798 3.988 1.00 1.02 H new ATOM 0 HD22 ASN A 93 -4.533 9.512 3.010 1.00 1.02 H new ATOM 1522 N LEU A 94 -5.536 4.399 4.655 1.00 0.50 N ATOM 1523 CA LEU A 94 -6.172 3.148 4.149 1.00 0.61 C ATOM 1524 C LEU A 94 -6.412 2.158 5.295 1.00 0.24 C ATOM 1525 O LEU A 94 -7.482 1.597 5.415 1.00 0.62 O ATOM 1526 CB LEU A 94 -5.251 2.524 3.097 1.00 0.99 C ATOM 1527 CG LEU A 94 -5.720 1.107 2.746 1.00 1.01 C ATOM 1528 CD1 LEU A 94 -5.827 0.957 1.227 1.00 1.45 C ATOM 1529 CD2 LEU A 94 -4.704 0.096 3.281 1.00 1.09 C ATOM 0 H LEU A 94 -4.523 4.448 4.542 1.00 0.50 H new ATOM 0 HA LEU A 94 -7.139 3.386 3.706 1.00 0.61 H new ATOM 0 HB2 LEU A 94 -5.242 3.143 2.200 1.00 0.99 H new ATOM 0 HB3 LEU A 94 -4.228 2.492 3.473 1.00 0.99 H new ATOM 0 HG LEU A 94 -6.697 0.928 3.195 1.00 1.01 H new ATOM 0 HD11 LEU A 94 -6.161 -0.052 0.984 1.00 1.45 H new ATOM 0 HD12 LEU A 94 -6.545 1.680 0.840 1.00 1.45 H new ATOM 0 HD13 LEU A 94 -4.852 1.136 0.774 1.00 1.45 H new ATOM 0 HD21 LEU A 94 -5.032 -0.914 3.035 1.00 1.09 H new ATOM 0 HD22 LEU A 94 -3.731 0.283 2.827 1.00 1.09 H new ATOM 0 HD23 LEU A 94 -4.625 0.198 4.363 1.00 1.09 H new ATOM 1541 N TRP A 95 -5.439 1.926 6.130 1.00 0.33 N ATOM 1542 CA TRP A 95 -5.640 0.956 7.250 1.00 0.85 C ATOM 1543 C TRP A 95 -6.396 1.629 8.404 1.00 1.04 C ATOM 1544 O TRP A 95 -6.923 0.967 9.277 1.00 1.53 O ATOM 1545 CB TRP A 95 -4.264 0.442 7.714 1.00 1.24 C ATOM 1546 CG TRP A 95 -4.109 0.492 9.206 1.00 1.26 C ATOM 1547 CD1 TRP A 95 -3.943 1.619 9.926 1.00 1.24 C ATOM 1548 CD2 TRP A 95 -4.051 -0.611 10.162 1.00 1.81 C ATOM 1549 NE1 TRP A 95 -3.828 1.291 11.264 1.00 1.24 N ATOM 1550 CE2 TRP A 95 -3.881 -0.075 11.461 1.00 1.67 C ATOM 1551 CE3 TRP A 95 -4.141 -2.009 10.031 1.00 2.65 C ATOM 1552 CZ2 TRP A 95 -3.804 -0.897 12.588 1.00 2.27 C ATOM 1553 CZ3 TRP A 95 -4.059 -2.838 11.162 1.00 3.34 C ATOM 1554 CH2 TRP A 95 -3.894 -2.282 12.436 1.00 3.13 C ATOM 0 H TRP A 95 -4.517 2.361 6.089 1.00 0.33 H new ATOM 0 HA TRP A 95 -6.240 0.112 6.909 1.00 0.85 H new ATOM 0 HB2 TRP A 95 -4.128 -0.584 7.371 1.00 1.24 H new ATOM 0 HB3 TRP A 95 -3.480 1.040 7.250 1.00 1.24 H new ATOM 0 HD1 TRP A 95 -3.906 2.620 9.522 1.00 1.24 H new ATOM 0 HE1 TRP A 95 -3.718 1.974 12.014 1.00 1.24 H new ATOM 0 HE3 TRP A 95 -4.274 -2.448 9.053 1.00 2.65 H new ATOM 0 HZ2 TRP A 95 -3.676 -0.464 13.569 1.00 2.27 H new ATOM 0 HZ3 TRP A 95 -4.124 -3.910 11.048 1.00 3.34 H new ATOM 0 HH2 TRP A 95 -3.836 -2.925 13.302 1.00 3.13 H new ATOM 1565 N GLY A 96 -6.442 2.935 8.427 1.00 0.72 N ATOM 1566 CA GLY A 96 -7.158 3.636 9.532 1.00 1.01 C ATOM 1567 C GLY A 96 -8.614 3.171 9.581 1.00 1.41 C ATOM 1568 O GLY A 96 -9.112 2.752 10.607 1.00 1.99 O ATOM 0 H GLY A 96 -6.016 3.545 7.730 1.00 0.72 H new ATOM 0 HA2 GLY A 96 -6.668 3.430 10.484 1.00 1.01 H new ATOM 0 HA3 GLY A 96 -7.116 4.714 9.379 1.00 1.01 H new ATOM 1572 N LEU A 97 -9.300 3.246 8.477 1.00 1.19 N ATOM 1573 CA LEU A 97 -10.727 2.815 8.445 1.00 1.59 C ATOM 1574 C LEU A 97 -10.825 1.324 8.075 1.00 1.28 C ATOM 1575 O LEU A 97 -11.892 0.821 7.783 1.00 1.44 O ATOM 1576 CB LEU A 97 -11.462 3.652 7.396 1.00 1.78 C ATOM 1577 CG LEU A 97 -11.084 3.166 5.995 1.00 1.74 C ATOM 1578 CD1 LEU A 97 -12.192 2.268 5.444 1.00 3.06 C ATOM 1579 CD2 LEU A 97 -10.899 4.373 5.070 1.00 1.60 C ATOM 0 H LEU A 97 -8.933 3.589 7.589 1.00 1.19 H new ATOM 0 HA LEU A 97 -11.176 2.959 9.428 1.00 1.59 H new ATOM 0 HB2 LEU A 97 -12.539 3.572 7.541 1.00 1.78 H new ATOM 0 HB3 LEU A 97 -11.203 4.705 7.509 1.00 1.78 H new ATOM 0 HG LEU A 97 -10.154 2.600 6.048 1.00 1.74 H new ATOM 0 HD11 LEU A 97 -11.919 1.924 4.446 1.00 3.06 H new ATOM 0 HD12 LEU A 97 -12.324 1.408 6.101 1.00 3.06 H new ATOM 0 HD13 LEU A 97 -13.124 2.831 5.391 1.00 3.06 H new ATOM 0 HD21 LEU A 97 -10.630 4.028 4.072 1.00 1.60 H new ATOM 0 HD22 LEU A 97 -11.829 4.939 5.020 1.00 1.60 H new ATOM 0 HD23 LEU A 97 -10.106 5.012 5.459 1.00 1.60 H new ATOM 1591 N ALA A 98 -9.719 0.623 8.056 1.00 1.27 N ATOM 1592 CA ALA A 98 -9.741 -0.819 7.675 1.00 1.44 C ATOM 1593 C ALA A 98 -9.883 -1.740 8.898 1.00 2.33 C ATOM 1594 O ALA A 98 -10.544 -2.756 8.840 1.00 3.08 O ATOM 1595 CB ALA A 98 -8.432 -1.144 6.961 1.00 1.48 C ATOM 0 H ALA A 98 -8.797 0.992 8.290 1.00 1.27 H new ATOM 0 HA ALA A 98 -10.603 -0.990 7.031 1.00 1.44 H new ATOM 0 HB1 ALA A 98 -8.426 -2.195 6.673 1.00 1.48 H new ATOM 0 HB2 ALA A 98 -8.340 -0.523 6.070 1.00 1.48 H new ATOM 0 HB3 ALA A 98 -7.594 -0.946 7.630 1.00 1.48 H new ATOM 1601 N GLY A 99 -9.242 -1.418 9.990 1.00 2.32 N ATOM 1602 CA GLY A 99 -9.311 -2.297 11.189 1.00 3.25 C ATOM 1603 C GLY A 99 -8.055 -2.044 12.019 1.00 2.94 C ATOM 1604 O GLY A 99 -6.968 -2.461 11.668 1.00 4.65 O ATOM 0 H GLY A 99 -8.672 -0.580 10.101 1.00 2.32 H new ATOM 0 HA2 GLY A 99 -10.206 -2.080 11.772 1.00 3.25 H new ATOM 0 HA3 GLY A 99 -9.370 -3.344 10.893 1.00 3.25 H new ATOM 1608 N LEU A 100 -8.192 -1.326 13.090 1.00 1.80 N ATOM 1609 CA LEU A 100 -7.002 -0.989 13.928 1.00 2.99 C ATOM 1610 C LEU A 100 -6.651 -2.112 14.911 1.00 2.13 C ATOM 1611 O LEU A 100 -5.538 -2.601 14.920 1.00 2.48 O ATOM 1612 CB LEU A 100 -7.284 0.283 14.744 1.00 4.86 C ATOM 1613 CG LEU A 100 -7.605 1.474 13.831 1.00 6.26 C ATOM 1614 CD1 LEU A 100 -6.775 1.403 12.550 1.00 6.93 C ATOM 1615 CD2 LEU A 100 -9.094 1.469 13.477 1.00 6.23 C ATOM 0 H LEU A 100 -9.079 -0.953 13.429 1.00 1.80 H new ATOM 0 HA LEU A 100 -6.164 -0.843 13.246 1.00 2.99 H new ATOM 0 HB2 LEU A 100 -8.120 0.105 15.420 1.00 4.86 H new ATOM 0 HB3 LEU A 100 -6.418 0.520 15.363 1.00 4.86 H new ATOM 0 HG LEU A 100 -7.359 2.395 14.360 1.00 6.26 H new ATOM 0 HD11 LEU A 100 -7.015 2.255 11.914 1.00 6.93 H new ATOM 0 HD12 LEU A 100 -5.715 1.425 12.802 1.00 6.93 H new ATOM 0 HD13 LEU A 100 -7.003 0.478 12.020 1.00 6.93 H new ATOM 0 HD21 LEU A 100 -9.317 2.316 12.829 1.00 6.23 H new ATOM 0 HD22 LEU A 100 -9.342 0.542 12.960 1.00 6.23 H new ATOM 0 HD23 LEU A 100 -9.685 1.545 14.390 1.00 6.23 H new ATOM 1627 N ASN A 101 -7.548 -2.487 15.779 1.00 1.65 N ATOM 1628 CA ASN A 101 -7.193 -3.528 16.788 1.00 1.57 C ATOM 1629 C ASN A 101 -7.245 -4.949 16.200 1.00 1.83 C ATOM 1630 O ASN A 101 -6.220 -5.539 15.916 1.00 2.23 O ATOM 1631 CB ASN A 101 -8.134 -3.416 17.994 1.00 1.63 C ATOM 1632 CG ASN A 101 -7.451 -4.005 19.226 1.00 2.43 C ATOM 1633 OD1 ASN A 101 -7.401 -5.209 19.393 1.00 3.26 O ATOM 1634 ND2 ASN A 101 -6.915 -3.203 20.104 1.00 2.78 N ATOM 0 H ASN A 101 -8.500 -2.125 15.836 1.00 1.65 H new ATOM 0 HA ASN A 101 -6.165 -3.350 17.104 1.00 1.57 H new ATOM 0 HB2 ASN A 101 -8.392 -2.372 18.172 1.00 1.63 H new ATOM 0 HB3 ASN A 101 -9.065 -3.945 17.793 1.00 1.63 H new ATOM 0 HD21 ASN A 101 -6.454 -3.585 20.930 1.00 2.78 H new ATOM 0 HD22 ASN A 101 -6.956 -2.193 19.965 1.00 2.78 H new ATOM 1641 N SER A 102 -8.410 -5.522 16.033 1.00 2.35 N ATOM 1642 CA SER A 102 -8.478 -6.910 15.488 1.00 3.17 C ATOM 1643 C SER A 102 -8.018 -6.910 14.031 1.00 2.33 C ATOM 1644 O SER A 102 -8.721 -6.456 13.150 1.00 1.95 O ATOM 1645 CB SER A 102 -9.917 -7.425 15.575 1.00 4.38 C ATOM 1646 OG SER A 102 -10.550 -6.859 16.716 1.00 5.45 O ATOM 0 H SER A 102 -9.310 -5.092 16.249 1.00 2.35 H new ATOM 0 HA SER A 102 -7.827 -7.561 16.071 1.00 3.17 H new ATOM 0 HB2 SER A 102 -10.466 -7.160 14.671 1.00 4.38 H new ATOM 0 HB3 SER A 102 -9.923 -8.513 15.644 1.00 4.38 H new ATOM 0 HG SER A 102 -11.472 -7.185 16.774 1.00 5.45 H new ATOM 1652 N CYS A 103 -6.841 -7.412 13.769 1.00 2.28 N ATOM 1653 CA CYS A 103 -6.342 -7.435 12.372 1.00 1.61 C ATOM 1654 C CYS A 103 -5.132 -8.379 12.283 1.00 1.62 C ATOM 1655 O CYS A 103 -4.026 -7.946 12.033 1.00 1.79 O ATOM 1656 CB CYS A 103 -5.936 -6.011 11.974 1.00 1.85 C ATOM 1657 SG CYS A 103 -7.081 -5.374 10.729 1.00 1.51 S ATOM 0 H CYS A 103 -6.207 -7.806 14.464 1.00 2.28 H new ATOM 0 HA CYS A 103 -7.118 -7.793 11.695 1.00 1.61 H new ATOM 0 HB2 CYS A 103 -5.940 -5.363 12.851 1.00 1.85 H new ATOM 0 HB3 CYS A 103 -4.919 -6.009 11.581 1.00 1.85 H new ATOM 1662 N PRO A 104 -5.380 -9.647 12.509 1.00 1.57 N ATOM 1663 CA PRO A 104 -4.324 -10.678 12.475 1.00 1.57 C ATOM 1664 C PRO A 104 -3.738 -10.816 11.065 1.00 1.33 C ATOM 1665 O PRO A 104 -4.153 -11.659 10.295 1.00 1.03 O ATOM 1666 CB PRO A 104 -5.032 -11.977 12.880 1.00 1.60 C ATOM 1667 CG PRO A 104 -6.545 -11.668 13.004 1.00 1.75 C ATOM 1668 CD PRO A 104 -6.729 -10.154 12.819 1.00 1.67 C ATOM 0 HA PRO A 104 -3.494 -10.429 13.136 1.00 1.57 H new ATOM 0 HB2 PRO A 104 -4.860 -12.755 12.136 1.00 1.60 H new ATOM 0 HB3 PRO A 104 -4.638 -12.348 13.826 1.00 1.60 H new ATOM 0 HG2 PRO A 104 -7.110 -12.217 12.251 1.00 1.75 H new ATOM 0 HG3 PRO A 104 -6.921 -11.983 13.977 1.00 1.75 H new ATOM 0 HD2 PRO A 104 -7.429 -9.936 12.012 1.00 1.67 H new ATOM 0 HD3 PRO A 104 -7.128 -9.691 13.721 1.00 1.67 H new ATOM 1676 N VAL A 105 -2.769 -10.011 10.721 1.00 1.52 N ATOM 1677 CA VAL A 105 -2.163 -10.131 9.359 1.00 1.46 C ATOM 1678 C VAL A 105 -1.206 -11.326 9.339 1.00 1.43 C ATOM 1679 O VAL A 105 -0.107 -11.260 9.852 1.00 1.70 O ATOM 1680 CB VAL A 105 -1.389 -8.853 8.999 1.00 1.81 C ATOM 1681 CG1 VAL A 105 -1.275 -8.738 7.479 1.00 1.50 C ATOM 1682 CG2 VAL A 105 -2.130 -7.631 9.549 1.00 3.42 C ATOM 0 H VAL A 105 -2.373 -9.283 11.315 1.00 1.52 H new ATOM 0 HA VAL A 105 -2.959 -10.276 8.629 1.00 1.46 H new ATOM 0 HB VAL A 105 -0.392 -8.899 9.437 1.00 1.81 H new ATOM 0 HG11 VAL A 105 -0.726 -7.832 7.223 1.00 1.50 H new ATOM 0 HG12 VAL A 105 -0.745 -9.606 7.087 1.00 1.50 H new ATOM 0 HG13 VAL A 105 -2.272 -8.694 7.042 1.00 1.50 H new ATOM 0 HG21 VAL A 105 -1.579 -6.726 9.293 1.00 3.42 H new ATOM 0 HG22 VAL A 105 -3.128 -7.584 9.113 1.00 3.42 H new ATOM 0 HG23 VAL A 105 -2.211 -7.712 10.633 1.00 3.42 H new ATOM 1692 N LYS A 106 -1.615 -12.420 8.752 1.00 1.13 N ATOM 1693 CA LYS A 106 -0.726 -13.615 8.702 1.00 1.14 C ATOM 1694 C LYS A 106 -1.343 -14.676 7.786 1.00 1.16 C ATOM 1695 O LYS A 106 -2.214 -15.424 8.184 1.00 2.13 O ATOM 1696 CB LYS A 106 -0.558 -14.189 10.112 1.00 1.47 C ATOM 1697 CG LYS A 106 0.503 -15.292 10.089 1.00 0.92 C ATOM 1698 CD LYS A 106 1.869 -14.693 10.437 1.00 2.33 C ATOM 1699 CE LYS A 106 2.956 -15.352 9.583 1.00 3.36 C ATOM 1700 NZ LYS A 106 3.411 -16.608 10.244 1.00 3.13 N ATOM 0 H LYS A 106 -2.525 -12.536 8.306 1.00 1.13 H new ATOM 0 HA LYS A 106 0.249 -13.324 8.312 1.00 1.14 H new ATOM 0 HB2 LYS A 106 -0.264 -13.401 10.805 1.00 1.47 H new ATOM 0 HB3 LYS A 106 -1.507 -14.589 10.469 1.00 1.47 H new ATOM 0 HG2 LYS A 106 0.245 -16.075 10.802 1.00 0.92 H new ATOM 0 HG3 LYS A 106 0.538 -15.757 9.104 1.00 0.92 H new ATOM 0 HD2 LYS A 106 1.860 -13.617 10.263 1.00 2.33 H new ATOM 0 HD3 LYS A 106 2.084 -14.843 11.495 1.00 2.33 H new ATOM 0 HE2 LYS A 106 2.569 -15.571 8.588 1.00 3.36 H new ATOM 0 HE3 LYS A 106 3.797 -14.670 9.455 1.00 3.36 H new ATOM 0 HZ1 LYS A 106 4.149 -17.057 9.665 1.00 3.13 H new ATOM 0 HZ2 LYS A 106 3.795 -16.386 11.184 1.00 3.13 H new ATOM 0 HZ3 LYS A 106 2.606 -17.259 10.344 1.00 3.13 H new ATOM 1714 N GLU A 107 -0.898 -14.746 6.561 1.00 0.89 N ATOM 1715 CA GLU A 107 -1.452 -15.754 5.611 1.00 0.66 C ATOM 1716 C GLU A 107 -0.600 -15.764 4.351 1.00 0.55 C ATOM 1717 O GLU A 107 -1.100 -15.707 3.247 1.00 0.48 O ATOM 1718 CB GLU A 107 -2.896 -15.385 5.259 1.00 0.92 C ATOM 1719 CG GLU A 107 -3.530 -16.508 4.434 1.00 0.76 C ATOM 1720 CD GLU A 107 -4.531 -15.912 3.443 1.00 1.47 C ATOM 1721 OE1 GLU A 107 -4.126 -15.085 2.643 1.00 2.56 O ATOM 1722 OE2 GLU A 107 -5.689 -16.293 3.502 1.00 1.77 O ATOM 0 H GLU A 107 -0.170 -14.145 6.175 1.00 0.89 H new ATOM 0 HA GLU A 107 -1.440 -16.743 6.069 1.00 0.66 H new ATOM 0 HB2 GLU A 107 -3.472 -15.221 6.170 1.00 0.92 H new ATOM 0 HB3 GLU A 107 -2.916 -14.452 4.696 1.00 0.92 H new ATOM 0 HG2 GLU A 107 -2.758 -17.061 3.899 1.00 0.76 H new ATOM 0 HG3 GLU A 107 -4.032 -17.218 5.092 1.00 0.76 H new ATOM 1729 N ALA A 108 0.690 -15.834 4.514 1.00 1.09 N ATOM 1730 CA ALA A 108 1.580 -15.844 3.330 1.00 1.23 C ATOM 1731 C ALA A 108 3.032 -16.022 3.770 1.00 1.66 C ATOM 1732 O ALA A 108 3.439 -15.568 4.822 1.00 1.79 O ATOM 1733 CB ALA A 108 1.446 -14.521 2.580 1.00 0.94 C ATOM 0 H ALA A 108 1.163 -15.885 5.416 1.00 1.09 H new ATOM 0 HA ALA A 108 1.294 -16.670 2.679 1.00 1.23 H new ATOM 0 HB1 ALA A 108 2.101 -14.529 1.709 1.00 0.94 H new ATOM 0 HB2 ALA A 108 0.413 -14.389 2.257 1.00 0.94 H new ATOM 0 HB3 ALA A 108 1.728 -13.699 3.238 1.00 0.94 H new ATOM 1739 N ASP A 109 3.818 -16.655 2.954 1.00 2.03 N ATOM 1740 CA ASP A 109 5.258 -16.845 3.291 1.00 2.47 C ATOM 1741 C ASP A 109 5.992 -15.538 2.990 1.00 2.45 C ATOM 1742 O ASP A 109 6.283 -14.758 3.876 1.00 3.27 O ATOM 1743 CB ASP A 109 5.842 -17.973 2.435 1.00 2.94 C ATOM 1744 CG ASP A 109 5.281 -19.316 2.906 1.00 2.74 C ATOM 1745 OD1 ASP A 109 4.095 -19.377 3.183 1.00 2.79 O ATOM 1746 OD2 ASP A 109 6.049 -20.260 2.978 1.00 2.91 O ATOM 0 H ASP A 109 3.527 -17.053 2.061 1.00 2.03 H new ATOM 0 HA ASP A 109 5.370 -17.108 4.343 1.00 2.47 H new ATOM 0 HB2 ASP A 109 5.595 -17.812 1.386 1.00 2.94 H new ATOM 0 HB3 ASP A 109 6.929 -17.975 2.510 1.00 2.94 H new ATOM 1751 N GLN A 110 6.270 -15.281 1.740 1.00 1.58 N ATOM 1752 CA GLN A 110 6.957 -14.015 1.370 1.00 1.57 C ATOM 1753 C GLN A 110 6.876 -13.830 -0.151 1.00 1.46 C ATOM 1754 O GLN A 110 7.659 -14.368 -0.909 1.00 1.60 O ATOM 1755 CB GLN A 110 8.420 -14.055 1.815 1.00 1.92 C ATOM 1756 CG GLN A 110 9.113 -15.234 1.152 1.00 0.82 C ATOM 1757 CD GLN A 110 10.243 -15.744 2.045 1.00 1.33 C ATOM 1758 OE1 GLN A 110 10.069 -16.694 2.785 1.00 1.45 O ATOM 1759 NE2 GLN A 110 11.403 -15.150 2.005 1.00 2.26 N ATOM 0 H GLN A 110 6.049 -15.897 0.958 1.00 1.58 H new ATOM 0 HA GLN A 110 6.469 -13.178 1.869 1.00 1.57 H new ATOM 0 HB2 GLN A 110 8.920 -13.125 1.545 1.00 1.92 H new ATOM 0 HB3 GLN A 110 8.480 -14.146 2.900 1.00 1.92 H new ATOM 0 HG2 GLN A 110 8.394 -16.033 0.968 1.00 0.82 H new ATOM 0 HG3 GLN A 110 9.511 -14.934 0.183 1.00 0.82 H new ATOM 0 HE21 GLN A 110 11.547 -14.354 1.384 1.00 2.26 H new ATOM 0 HE22 GLN A 110 12.166 -15.482 2.595 1.00 2.26 H new ATOM 1768 N SER A 111 5.926 -13.075 -0.608 1.00 1.22 N ATOM 1769 CA SER A 111 5.789 -12.861 -2.072 1.00 1.14 C ATOM 1770 C SER A 111 6.713 -11.725 -2.494 1.00 1.05 C ATOM 1771 O SER A 111 7.607 -11.340 -1.770 1.00 1.30 O ATOM 1772 CB SER A 111 4.339 -12.499 -2.384 1.00 1.04 C ATOM 1773 OG SER A 111 4.212 -11.087 -2.490 1.00 1.45 O ATOM 0 H SER A 111 5.235 -12.594 -0.032 1.00 1.22 H new ATOM 0 HA SER A 111 6.060 -13.766 -2.616 1.00 1.14 H new ATOM 0 HB2 SER A 111 4.027 -12.973 -3.315 1.00 1.04 H new ATOM 0 HB3 SER A 111 3.683 -12.875 -1.599 1.00 1.04 H new ATOM 0 HG SER A 111 3.281 -10.857 -2.692 1.00 1.45 H new ATOM 1779 N THR A 112 6.500 -11.179 -3.651 1.00 0.90 N ATOM 1780 CA THR A 112 7.352 -10.050 -4.104 1.00 0.78 C ATOM 1781 C THR A 112 6.460 -8.822 -4.277 1.00 0.51 C ATOM 1782 O THR A 112 5.398 -8.890 -4.863 1.00 0.27 O ATOM 1783 CB THR A 112 8.038 -10.411 -5.423 1.00 0.84 C ATOM 1784 OG1 THR A 112 7.074 -10.444 -6.466 1.00 0.75 O ATOM 1785 CG2 THR A 112 8.703 -11.782 -5.282 1.00 1.05 C ATOM 0 H THR A 112 5.772 -11.465 -4.306 1.00 0.90 H new ATOM 0 HA THR A 112 8.129 -9.839 -3.369 1.00 0.78 H new ATOM 0 HB THR A 112 8.795 -9.664 -5.664 1.00 0.84 H new ATOM 0 HG1 THR A 112 7.514 -10.674 -7.311 1.00 0.75 H new ATOM 0 HG21 THR A 112 9.194 -12.046 -6.219 1.00 1.05 H new ATOM 0 HG22 THR A 112 9.442 -11.747 -4.482 1.00 1.05 H new ATOM 0 HG23 THR A 112 7.947 -12.531 -5.045 1.00 1.05 H new ATOM 1793 N LEU A 113 6.870 -7.704 -3.745 1.00 0.60 N ATOM 1794 CA LEU A 113 6.037 -6.470 -3.841 1.00 0.47 C ATOM 1795 C LEU A 113 5.726 -6.111 -5.304 1.00 0.25 C ATOM 1796 O LEU A 113 4.836 -5.333 -5.576 1.00 0.23 O ATOM 1797 CB LEU A 113 6.787 -5.315 -3.173 1.00 0.66 C ATOM 1798 CG LEU A 113 5.831 -4.138 -2.976 1.00 0.77 C ATOM 1799 CD1 LEU A 113 4.798 -4.499 -1.908 1.00 1.30 C ATOM 1800 CD2 LEU A 113 6.612 -2.905 -2.523 1.00 0.75 C ATOM 0 H LEU A 113 7.752 -7.591 -3.245 1.00 0.60 H new ATOM 0 HA LEU A 113 5.088 -6.650 -3.336 1.00 0.47 H new ATOM 0 HB2 LEU A 113 7.190 -5.635 -2.212 1.00 0.66 H new ATOM 0 HB3 LEU A 113 7.634 -5.012 -3.789 1.00 0.66 H new ATOM 0 HG LEU A 113 5.329 -3.921 -3.919 1.00 0.77 H new ATOM 0 HD11 LEU A 113 4.115 -3.662 -1.765 1.00 1.30 H new ATOM 0 HD12 LEU A 113 4.235 -5.376 -2.228 1.00 1.30 H new ATOM 0 HD13 LEU A 113 5.307 -4.717 -0.969 1.00 1.30 H new ATOM 0 HD21 LEU A 113 5.925 -2.070 -2.384 1.00 0.75 H new ATOM 0 HD22 LEU A 113 7.117 -3.120 -1.581 1.00 0.75 H new ATOM 0 HD23 LEU A 113 7.352 -2.645 -3.280 1.00 0.75 H new ATOM 1812 N GLU A 114 6.448 -6.649 -6.248 1.00 0.24 N ATOM 1813 CA GLU A 114 6.174 -6.303 -7.675 1.00 0.21 C ATOM 1814 C GLU A 114 4.792 -6.817 -8.100 1.00 0.28 C ATOM 1815 O GLU A 114 3.950 -6.065 -8.555 1.00 0.37 O ATOM 1816 CB GLU A 114 7.248 -6.933 -8.567 1.00 0.44 C ATOM 1817 CG GLU A 114 7.507 -6.027 -9.771 1.00 0.42 C ATOM 1818 CD GLU A 114 7.059 -6.734 -11.051 1.00 1.50 C ATOM 1819 OE1 GLU A 114 7.641 -7.757 -11.375 1.00 1.57 O ATOM 1820 OE2 GLU A 114 6.142 -6.241 -11.685 1.00 2.63 O ATOM 0 H GLU A 114 7.211 -7.309 -6.097 1.00 0.24 H new ATOM 0 HA GLU A 114 6.192 -5.218 -7.782 1.00 0.21 H new ATOM 0 HB2 GLU A 114 8.168 -7.075 -8.001 1.00 0.44 H new ATOM 0 HB3 GLU A 114 6.925 -7.918 -8.903 1.00 0.44 H new ATOM 0 HG2 GLU A 114 6.967 -5.087 -9.655 1.00 0.42 H new ATOM 0 HG3 GLU A 114 8.567 -5.780 -9.832 1.00 0.42 H new ATOM 1827 N ASN A 115 4.561 -8.092 -7.977 1.00 0.33 N ATOM 1828 CA ASN A 115 3.246 -8.662 -8.401 1.00 0.47 C ATOM 1829 C ASN A 115 2.131 -8.259 -7.432 1.00 0.50 C ATOM 1830 O ASN A 115 1.071 -7.840 -7.845 1.00 0.52 O ATOM 1831 CB ASN A 115 3.348 -10.187 -8.447 1.00 0.54 C ATOM 1832 CG ASN A 115 4.252 -10.596 -9.610 1.00 1.86 C ATOM 1833 OD1 ASN A 115 4.059 -10.160 -10.728 1.00 2.29 O ATOM 1834 ND2 ASN A 115 5.238 -11.423 -9.393 1.00 3.09 N ATOM 0 H ASN A 115 5.225 -8.769 -7.601 1.00 0.33 H new ATOM 0 HA ASN A 115 3.003 -8.269 -9.388 1.00 0.47 H new ATOM 0 HB2 ASN A 115 3.751 -10.565 -7.507 1.00 0.54 H new ATOM 0 HB3 ASN A 115 2.358 -10.626 -8.569 1.00 0.54 H new ATOM 0 HD21 ASN A 115 5.847 -11.704 -10.162 1.00 3.09 H new ATOM 0 HD22 ASN A 115 5.400 -11.789 -8.455 1.00 3.09 H new ATOM 1841 N PHE A 116 2.344 -8.397 -6.154 1.00 0.85 N ATOM 1842 CA PHE A 116 1.273 -8.030 -5.180 1.00 1.01 C ATOM 1843 C PHE A 116 0.908 -6.549 -5.342 1.00 0.88 C ATOM 1844 O PHE A 116 -0.231 -6.204 -5.599 1.00 0.86 O ATOM 1845 CB PHE A 116 1.776 -8.294 -3.759 1.00 1.35 C ATOM 1846 CG PHE A 116 1.226 -7.250 -2.819 1.00 1.01 C ATOM 1847 CD1 PHE A 116 -0.146 -7.208 -2.533 1.00 0.95 C ATOM 1848 CD2 PHE A 116 2.092 -6.325 -2.232 1.00 1.18 C ATOM 1849 CE1 PHE A 116 -0.646 -6.237 -1.658 1.00 0.85 C ATOM 1850 CE2 PHE A 116 1.592 -5.354 -1.358 1.00 0.93 C ATOM 1851 CZ PHE A 116 0.223 -5.308 -1.070 1.00 0.56 C ATOM 0 H PHE A 116 3.209 -8.746 -5.740 1.00 0.85 H new ATOM 0 HA PHE A 116 0.384 -8.632 -5.368 1.00 1.01 H new ATOM 0 HB2 PHE A 116 1.468 -9.288 -3.433 1.00 1.35 H new ATOM 0 HB3 PHE A 116 2.866 -8.276 -3.740 1.00 1.35 H new ATOM 0 HD1 PHE A 116 -0.816 -7.924 -2.987 1.00 0.95 H new ATOM 0 HD2 PHE A 116 3.149 -6.359 -2.453 1.00 1.18 H new ATOM 0 HE1 PHE A 116 -1.702 -6.204 -1.436 1.00 0.85 H new ATOM 0 HE2 PHE A 116 2.263 -4.639 -0.905 1.00 0.93 H new ATOM 0 HZ PHE A 116 -0.163 -4.558 -0.396 1.00 0.56 H new ATOM 1861 N LEU A 117 1.859 -5.667 -5.193 1.00 0.92 N ATOM 1862 CA LEU A 117 1.545 -4.220 -5.343 1.00 0.92 C ATOM 1863 C LEU A 117 0.956 -3.963 -6.733 1.00 0.66 C ATOM 1864 O LEU A 117 0.205 -3.029 -6.932 1.00 0.60 O ATOM 1865 CB LEU A 117 2.807 -3.386 -5.153 1.00 1.19 C ATOM 1866 CG LEU A 117 2.413 -1.990 -4.660 1.00 0.77 C ATOM 1867 CD1 LEU A 117 2.918 -1.775 -3.233 1.00 1.89 C ATOM 1868 CD2 LEU A 117 3.031 -0.939 -5.579 1.00 1.11 C ATOM 0 H LEU A 117 2.832 -5.884 -4.976 1.00 0.92 H new ATOM 0 HA LEU A 117 0.817 -3.934 -4.584 1.00 0.92 H new ATOM 0 HB2 LEU A 117 3.471 -3.866 -4.434 1.00 1.19 H new ATOM 0 HB3 LEU A 117 3.355 -3.313 -6.092 1.00 1.19 H new ATOM 0 HG LEU A 117 1.327 -1.900 -4.671 1.00 0.77 H new ATOM 0 HD11 LEU A 117 2.633 -0.780 -2.892 1.00 1.89 H new ATOM 0 HD12 LEU A 117 2.478 -2.524 -2.575 1.00 1.89 H new ATOM 0 HD13 LEU A 117 4.004 -1.868 -3.213 1.00 1.89 H new ATOM 0 HD21 LEU A 117 2.753 0.056 -5.232 1.00 1.11 H new ATOM 0 HD22 LEU A 117 4.116 -1.038 -5.567 1.00 1.11 H new ATOM 0 HD23 LEU A 117 2.665 -1.084 -6.595 1.00 1.11 H new ATOM 1880 N GLU A 118 1.275 -4.788 -7.697 1.00 0.60 N ATOM 1881 CA GLU A 118 0.704 -4.585 -9.056 1.00 0.55 C ATOM 1882 C GLU A 118 -0.814 -4.751 -8.958 1.00 0.44 C ATOM 1883 O GLU A 118 -1.571 -3.925 -9.422 1.00 0.58 O ATOM 1884 CB GLU A 118 1.299 -5.616 -10.023 1.00 0.55 C ATOM 1885 CG GLU A 118 0.212 -6.175 -10.938 1.00 0.57 C ATOM 1886 CD GLU A 118 0.869 -7.001 -12.046 1.00 1.32 C ATOM 1887 OE1 GLU A 118 1.919 -7.566 -11.790 1.00 2.57 O ATOM 1888 OE2 GLU A 118 0.314 -7.050 -13.130 1.00 1.36 O ATOM 0 H GLU A 118 1.902 -5.587 -7.600 1.00 0.60 H new ATOM 0 HA GLU A 118 0.943 -3.590 -9.432 1.00 0.55 H new ATOM 0 HB2 GLU A 118 2.084 -5.153 -10.621 1.00 0.55 H new ATOM 0 HB3 GLU A 118 1.763 -6.427 -9.461 1.00 0.55 H new ATOM 0 HG2 GLU A 118 -0.479 -6.794 -10.366 1.00 0.57 H new ATOM 0 HG3 GLU A 118 -0.371 -5.362 -11.370 1.00 0.57 H new ATOM 1895 N ARG A 119 -1.252 -5.804 -8.315 1.00 0.34 N ATOM 1896 CA ARG A 119 -2.718 -6.033 -8.134 1.00 0.47 C ATOM 1897 C ARG A 119 -3.303 -4.939 -7.231 1.00 0.46 C ATOM 1898 O ARG A 119 -4.499 -4.770 -7.153 1.00 0.55 O ATOM 1899 CB ARG A 119 -2.935 -7.402 -7.483 1.00 0.56 C ATOM 1900 CG ARG A 119 -2.537 -8.503 -8.468 1.00 0.73 C ATOM 1901 CD ARG A 119 -3.678 -9.513 -8.589 1.00 0.60 C ATOM 1902 NE ARG A 119 -4.585 -9.099 -9.699 1.00 1.55 N ATOM 1903 CZ ARG A 119 -5.494 -9.919 -10.171 1.00 1.74 C ATOM 1904 NH1 ARG A 119 -5.648 -11.124 -9.675 1.00 1.28 N ATOM 1905 NH2 ARG A 119 -6.264 -9.524 -11.146 1.00 2.82 N ATOM 0 H ARG A 119 -0.652 -6.520 -7.905 1.00 0.34 H new ATOM 0 HA ARG A 119 -3.215 -6.003 -9.103 1.00 0.47 H new ATOM 0 HB2 ARG A 119 -2.341 -7.482 -6.572 1.00 0.56 H new ATOM 0 HB3 ARG A 119 -3.980 -7.518 -7.194 1.00 0.56 H new ATOM 0 HG2 ARG A 119 -2.315 -8.070 -9.443 1.00 0.73 H new ATOM 0 HG3 ARG A 119 -1.630 -9.002 -8.126 1.00 0.73 H new ATOM 0 HD2 ARG A 119 -3.279 -10.509 -8.782 1.00 0.60 H new ATOM 0 HD3 ARG A 119 -4.232 -9.568 -7.652 1.00 0.60 H new ATOM 0 HE ARG A 119 -4.497 -8.164 -10.097 1.00 1.55 H new ATOM 0 HH11 ARG A 119 -5.055 -11.439 -8.907 1.00 1.28 H new ATOM 0 HH12 ARG A 119 -6.361 -11.745 -10.057 1.00 1.28 H new ATOM 0 HH21 ARG A 119 -6.156 -8.587 -11.533 1.00 2.82 H new ATOM 0 HH22 ARG A 119 -6.974 -10.152 -11.521 1.00 2.82 H new ATOM 1919 N LEU A 120 -2.472 -4.198 -6.543 1.00 0.37 N ATOM 1920 CA LEU A 120 -2.988 -3.116 -5.656 1.00 0.37 C ATOM 1921 C LEU A 120 -3.487 -1.949 -6.517 1.00 0.43 C ATOM 1922 O LEU A 120 -4.615 -1.517 -6.404 1.00 0.54 O ATOM 1923 CB LEU A 120 -1.848 -2.618 -4.761 1.00 0.34 C ATOM 1924 CG LEU A 120 -2.186 -2.843 -3.286 1.00 0.38 C ATOM 1925 CD1 LEU A 120 -1.104 -2.196 -2.418 1.00 0.35 C ATOM 1926 CD2 LEU A 120 -3.538 -2.201 -2.965 1.00 0.81 C ATOM 0 H LEU A 120 -1.457 -4.297 -6.558 1.00 0.37 H new ATOM 0 HA LEU A 120 -3.804 -3.501 -5.045 1.00 0.37 H new ATOM 0 HB2 LEU A 120 -0.925 -3.141 -5.012 1.00 0.34 H new ATOM 0 HB3 LEU A 120 -1.673 -1.558 -4.942 1.00 0.34 H new ATOM 0 HG LEU A 120 -2.234 -3.913 -3.083 1.00 0.38 H new ATOM 0 HD11 LEU A 120 -1.340 -2.353 -1.365 1.00 0.35 H new ATOM 0 HD12 LEU A 120 -0.138 -2.647 -2.645 1.00 0.35 H new ATOM 0 HD13 LEU A 120 -1.063 -1.127 -2.625 1.00 0.35 H new ATOM 0 HD21 LEU A 120 -3.777 -2.362 -1.914 1.00 0.81 H new ATOM 0 HD22 LEU A 120 -3.489 -1.131 -3.166 1.00 0.81 H new ATOM 0 HD23 LEU A 120 -4.312 -2.652 -3.586 1.00 0.81 H new ATOM 1938 N LYS A 121 -2.643 -1.434 -7.370 1.00 0.51 N ATOM 1939 CA LYS A 121 -3.044 -0.287 -8.244 1.00 0.69 C ATOM 1940 C LYS A 121 -4.198 -0.697 -9.154 1.00 0.89 C ATOM 1941 O LYS A 121 -5.070 0.090 -9.468 1.00 1.14 O ATOM 1942 CB LYS A 121 -1.858 0.108 -9.128 1.00 0.85 C ATOM 1943 CG LYS A 121 -2.342 0.970 -10.297 1.00 0.75 C ATOM 1944 CD LYS A 121 -2.507 0.092 -11.540 1.00 1.25 C ATOM 1945 CE LYS A 121 -2.454 0.961 -12.798 1.00 0.92 C ATOM 1946 NZ LYS A 121 -3.599 1.916 -12.797 1.00 1.51 N ATOM 0 H LYS A 121 -1.685 -1.759 -7.502 1.00 0.51 H new ATOM 0 HA LYS A 121 -3.351 0.546 -7.612 1.00 0.69 H new ATOM 0 HB2 LYS A 121 -1.123 0.657 -8.540 1.00 0.85 H new ATOM 0 HB3 LYS A 121 -1.361 -0.786 -9.505 1.00 0.85 H new ATOM 0 HG2 LYS A 121 -3.290 1.445 -10.045 1.00 0.75 H new ATOM 0 HG3 LYS A 121 -1.628 1.769 -10.495 1.00 0.75 H new ATOM 0 HD2 LYS A 121 -1.719 -0.660 -11.573 1.00 1.25 H new ATOM 0 HD3 LYS A 121 -3.456 -0.443 -11.496 1.00 1.25 H new ATOM 0 HE2 LYS A 121 -1.512 1.508 -12.835 1.00 0.92 H new ATOM 0 HE3 LYS A 121 -2.493 0.333 -13.688 1.00 0.92 H new ATOM 0 HZ1 LYS A 121 -3.681 2.360 -13.734 1.00 1.51 H new ATOM 0 HZ2 LYS A 121 -4.478 1.404 -12.578 1.00 1.51 H new ATOM 0 HZ3 LYS A 121 -3.438 2.650 -12.078 1.00 1.51 H new ATOM 1960 N THR A 122 -4.180 -1.910 -9.608 1.00 0.83 N ATOM 1961 CA THR A 122 -5.246 -2.381 -10.542 1.00 1.07 C ATOM 1962 C THR A 122 -6.596 -2.494 -9.830 1.00 1.09 C ATOM 1963 O THR A 122 -7.609 -2.026 -10.313 1.00 1.28 O ATOM 1964 CB THR A 122 -4.866 -3.754 -11.116 1.00 1.17 C ATOM 1965 OG1 THR A 122 -3.797 -4.317 -10.382 1.00 0.80 O ATOM 1966 CG2 THR A 122 -4.441 -3.592 -12.573 1.00 1.56 C ATOM 0 H THR A 122 -3.471 -2.606 -9.375 1.00 0.83 H new ATOM 0 HA THR A 122 -5.335 -1.650 -11.345 1.00 1.07 H new ATOM 0 HB THR A 122 -5.730 -4.415 -11.048 1.00 1.17 H new ATOM 0 HG1 THR A 122 -2.966 -3.846 -10.601 1.00 0.80 H new ATOM 0 HG21 THR A 122 -4.171 -4.565 -12.983 1.00 1.56 H new ATOM 0 HG22 THR A 122 -5.266 -3.172 -13.148 1.00 1.56 H new ATOM 0 HG23 THR A 122 -3.582 -2.923 -12.629 1.00 1.56 H new ATOM 1974 N ILE A 123 -6.618 -3.138 -8.709 1.00 0.97 N ATOM 1975 CA ILE A 123 -7.897 -3.328 -7.965 1.00 1.10 C ATOM 1976 C ILE A 123 -8.477 -1.986 -7.499 1.00 0.97 C ATOM 1977 O ILE A 123 -9.616 -1.661 -7.776 1.00 1.46 O ATOM 1978 CB ILE A 123 -7.629 -4.202 -6.736 1.00 1.10 C ATOM 1979 CG1 ILE A 123 -7.305 -5.634 -7.176 1.00 1.28 C ATOM 1980 CG2 ILE A 123 -8.864 -4.213 -5.834 1.00 1.26 C ATOM 1981 CD1 ILE A 123 -8.507 -6.235 -7.908 1.00 1.76 C ATOM 0 H ILE A 123 -5.798 -3.549 -8.264 1.00 0.97 H new ATOM 0 HA ILE A 123 -8.616 -3.802 -8.633 1.00 1.10 H new ATOM 0 HB ILE A 123 -6.781 -3.794 -6.186 1.00 1.10 H new ATOM 0 HG12 ILE A 123 -6.432 -5.635 -7.829 1.00 1.28 H new ATOM 0 HG13 ILE A 123 -7.054 -6.243 -6.308 1.00 1.28 H new ATOM 0 HG21 ILE A 123 -8.671 -4.835 -4.960 1.00 1.26 H new ATOM 0 HG22 ILE A 123 -9.089 -3.196 -5.512 1.00 1.26 H new ATOM 0 HG23 ILE A 123 -9.714 -4.615 -6.385 1.00 1.26 H new ATOM 0 HD11 ILE A 123 -8.272 -7.253 -8.219 1.00 1.76 H new ATOM 0 HD12 ILE A 123 -9.369 -6.249 -7.241 1.00 1.76 H new ATOM 0 HD13 ILE A 123 -8.737 -5.632 -8.786 1.00 1.76 H new ATOM 1993 N MET A 124 -7.715 -1.228 -6.763 1.00 0.35 N ATOM 1994 CA MET A 124 -8.218 0.076 -6.231 1.00 0.23 C ATOM 1995 C MET A 124 -8.605 1.041 -7.358 1.00 0.67 C ATOM 1996 O MET A 124 -9.625 1.696 -7.297 1.00 0.78 O ATOM 1997 CB MET A 124 -7.129 0.725 -5.370 1.00 0.59 C ATOM 1998 CG MET A 124 -7.367 0.371 -3.900 1.00 1.06 C ATOM 1999 SD MET A 124 -5.793 0.372 -3.007 1.00 1.25 S ATOM 2000 CE MET A 124 -5.869 2.084 -2.426 1.00 0.61 C ATOM 0 H MET A 124 -6.755 -1.455 -6.503 1.00 0.35 H new ATOM 0 HA MET A 124 -9.110 -0.127 -5.638 1.00 0.23 H new ATOM 0 HB2 MET A 124 -6.145 0.377 -5.685 1.00 0.59 H new ATOM 0 HB3 MET A 124 -7.142 1.807 -5.502 1.00 0.59 H new ATOM 0 HG2 MET A 124 -8.052 1.090 -3.450 1.00 1.06 H new ATOM 0 HG3 MET A 124 -7.838 -0.609 -3.824 1.00 1.06 H new ATOM 0 HE1 MET A 124 -5.122 2.237 -1.647 1.00 0.61 H new ATOM 0 HE2 MET A 124 -5.670 2.760 -3.258 1.00 0.61 H new ATOM 0 HE3 MET A 124 -6.861 2.288 -2.023 1.00 0.61 H new ATOM 2010 N ARG A 125 -7.792 1.164 -8.365 1.00 1.05 N ATOM 2011 CA ARG A 125 -8.104 2.123 -9.469 1.00 1.61 C ATOM 2012 C ARG A 125 -9.349 1.692 -10.254 1.00 1.86 C ATOM 2013 O ARG A 125 -10.327 2.412 -10.334 1.00 1.98 O ATOM 2014 CB ARG A 125 -6.912 2.191 -10.425 1.00 1.88 C ATOM 2015 CG ARG A 125 -7.038 3.430 -11.313 1.00 2.15 C ATOM 2016 CD ARG A 125 -7.495 3.014 -12.714 1.00 1.24 C ATOM 2017 NE ARG A 125 -6.346 3.111 -13.661 1.00 2.14 N ATOM 2018 CZ ARG A 125 -6.402 2.555 -14.850 1.00 2.03 C ATOM 2019 NH1 ARG A 125 -7.462 1.893 -15.244 1.00 1.87 N ATOM 2020 NH2 ARG A 125 -5.382 2.666 -15.654 1.00 2.89 N ATOM 0 H ARG A 125 -6.922 0.643 -8.476 1.00 1.05 H new ATOM 0 HA ARG A 125 -8.300 3.099 -9.026 1.00 1.61 H new ATOM 0 HB2 ARG A 125 -5.981 2.229 -9.860 1.00 1.88 H new ATOM 0 HB3 ARG A 125 -6.874 1.292 -11.040 1.00 1.88 H new ATOM 0 HG2 ARG A 125 -7.753 4.129 -10.879 1.00 2.15 H new ATOM 0 HG3 ARG A 125 -6.080 3.947 -11.371 1.00 2.15 H new ATOM 0 HD2 ARG A 125 -7.879 1.994 -12.695 1.00 1.24 H new ATOM 0 HD3 ARG A 125 -8.310 3.656 -13.048 1.00 1.24 H new ATOM 0 HE ARG A 125 -5.505 3.616 -13.381 1.00 2.14 H new ATOM 0 HH11 ARG A 125 -8.266 1.801 -14.623 1.00 1.87 H new ATOM 0 HH12 ARG A 125 -7.483 1.470 -16.172 1.00 1.87 H new ATOM 0 HH21 ARG A 125 -4.552 3.180 -15.357 1.00 2.89 H new ATOM 0 HH22 ARG A 125 -5.413 2.239 -16.580 1.00 2.89 H new ATOM 2034 N GLU A 126 -9.300 0.545 -10.863 1.00 2.18 N ATOM 2035 CA GLU A 126 -10.451 0.066 -11.691 1.00 2.65 C ATOM 2036 C GLU A 126 -11.772 0.056 -10.903 1.00 2.70 C ATOM 2037 O GLU A 126 -12.769 0.587 -11.352 1.00 3.17 O ATOM 2038 CB GLU A 126 -10.158 -1.355 -12.179 1.00 2.73 C ATOM 2039 CG GLU A 126 -11.136 -1.720 -13.296 1.00 2.77 C ATOM 2040 CD GLU A 126 -10.805 -3.115 -13.827 1.00 2.71 C ATOM 2041 OE1 GLU A 126 -9.649 -3.499 -13.752 1.00 3.21 O ATOM 2042 OE2 GLU A 126 -11.714 -3.776 -14.303 1.00 2.57 O ATOM 0 H GLU A 126 -8.505 -0.093 -10.826 1.00 2.18 H new ATOM 0 HA GLU A 126 -10.565 0.755 -12.528 1.00 2.65 H new ATOM 0 HB2 GLU A 126 -9.132 -1.422 -12.542 1.00 2.73 H new ATOM 0 HB3 GLU A 126 -10.251 -2.061 -11.354 1.00 2.73 H new ATOM 0 HG2 GLU A 126 -12.159 -1.695 -12.921 1.00 2.77 H new ATOM 0 HG3 GLU A 126 -11.074 -0.988 -14.102 1.00 2.77 H new ATOM 2049 N LYS A 127 -11.807 -0.581 -9.766 1.00 2.31 N ATOM 2050 CA LYS A 127 -13.084 -0.668 -8.990 1.00 2.44 C ATOM 2051 C LYS A 127 -13.525 0.692 -8.439 1.00 2.37 C ATOM 2052 O LYS A 127 -14.665 1.086 -8.594 1.00 2.94 O ATOM 2053 CB LYS A 127 -12.892 -1.640 -7.826 1.00 2.29 C ATOM 2054 CG LYS A 127 -13.146 -3.067 -8.311 1.00 2.95 C ATOM 2055 CD LYS A 127 -12.195 -4.026 -7.594 1.00 2.89 C ATOM 2056 CE LYS A 127 -12.850 -4.514 -6.303 1.00 2.06 C ATOM 2057 NZ LYS A 127 -13.660 -5.729 -6.594 1.00 1.96 N ATOM 0 H LYS A 127 -11.008 -1.047 -9.337 1.00 2.31 H new ATOM 0 HA LYS A 127 -13.862 -1.017 -9.669 1.00 2.44 H new ATOM 0 HB2 LYS A 127 -11.881 -1.554 -7.428 1.00 2.29 H new ATOM 0 HB3 LYS A 127 -13.576 -1.393 -7.014 1.00 2.29 H new ATOM 0 HG2 LYS A 127 -14.180 -3.350 -8.116 1.00 2.95 H new ATOM 0 HG3 LYS A 127 -12.997 -3.128 -9.389 1.00 2.95 H new ATOM 0 HD2 LYS A 127 -11.960 -4.873 -8.239 1.00 2.89 H new ATOM 0 HD3 LYS A 127 -11.254 -3.524 -7.371 1.00 2.89 H new ATOM 0 HE2 LYS A 127 -12.088 -4.740 -5.557 1.00 2.06 H new ATOM 0 HE3 LYS A 127 -13.483 -3.732 -5.884 1.00 2.06 H new ATOM 0 HZ1 LYS A 127 -14.108 -6.065 -5.718 1.00 1.96 H new ATOM 0 HZ2 LYS A 127 -14.395 -5.497 -7.292 1.00 1.96 H new ATOM 0 HZ3 LYS A 127 -13.043 -6.474 -6.975 1.00 1.96 H new ATOM 2071 N TYR A 128 -12.659 1.403 -7.770 1.00 1.68 N ATOM 2072 CA TYR A 128 -13.076 2.716 -7.187 1.00 1.58 C ATOM 2073 C TYR A 128 -13.150 3.816 -8.255 1.00 2.08 C ATOM 2074 O TYR A 128 -13.451 4.953 -7.949 1.00 2.06 O ATOM 2075 CB TYR A 128 -12.095 3.118 -6.084 1.00 0.79 C ATOM 2076 CG TYR A 128 -12.160 2.083 -4.987 1.00 0.49 C ATOM 2077 CD1 TYR A 128 -13.386 1.801 -4.373 1.00 1.32 C ATOM 2078 CD2 TYR A 128 -11.007 1.394 -4.593 1.00 1.23 C ATOM 2079 CE1 TYR A 128 -13.459 0.836 -3.364 1.00 2.33 C ATOM 2080 CE2 TYR A 128 -11.081 0.425 -3.585 1.00 2.14 C ATOM 2081 CZ TYR A 128 -12.306 0.147 -2.970 1.00 2.64 C ATOM 2082 OH TYR A 128 -12.380 -0.807 -1.980 1.00 3.72 O ATOM 0 H TYR A 128 -11.689 1.137 -7.601 1.00 1.68 H new ATOM 0 HA TYR A 128 -14.076 2.599 -6.769 1.00 1.58 H new ATOM 0 HB2 TYR A 128 -11.083 3.185 -6.483 1.00 0.79 H new ATOM 0 HB3 TYR A 128 -12.349 4.103 -5.692 1.00 0.79 H new ATOM 0 HD1 TYR A 128 -14.277 2.330 -4.679 1.00 1.32 H new ATOM 0 HD2 TYR A 128 -10.061 1.610 -5.066 1.00 1.23 H new ATOM 0 HE1 TYR A 128 -14.405 0.622 -2.889 1.00 2.33 H new ATOM 0 HE2 TYR A 128 -10.192 -0.108 -3.282 1.00 2.14 H new ATOM 0 HH TYR A 128 -13.065 -0.550 -1.328 1.00 3.72 H new ATOM 2092 N SER A 129 -12.907 3.504 -9.499 1.00 2.62 N ATOM 2093 CA SER A 129 -13.001 4.556 -10.546 1.00 3.24 C ATOM 2094 C SER A 129 -14.481 4.870 -10.833 1.00 3.68 C ATOM 2095 O SER A 129 -14.794 5.823 -11.519 1.00 4.18 O ATOM 2096 CB SER A 129 -12.321 4.063 -11.825 1.00 3.57 C ATOM 2097 OG SER A 129 -13.210 4.228 -12.923 1.00 3.13 O ATOM 0 H SER A 129 -12.650 2.575 -9.832 1.00 2.62 H new ATOM 0 HA SER A 129 -12.504 5.461 -10.197 1.00 3.24 H new ATOM 0 HB2 SER A 129 -11.401 4.621 -12.000 1.00 3.57 H new ATOM 0 HB3 SER A 129 -12.043 3.014 -11.722 1.00 3.57 H new ATOM 0 HG SER A 129 -12.777 3.915 -13.744 1.00 3.13 H new ATOM 2103 N LYS A 130 -15.397 4.083 -10.314 1.00 3.59 N ATOM 2104 CA LYS A 130 -16.845 4.348 -10.563 1.00 4.11 C ATOM 2105 C LYS A 130 -17.628 4.162 -9.258 1.00 3.62 C ATOM 2106 O LYS A 130 -18.567 3.392 -9.193 1.00 3.77 O ATOM 2107 CB LYS A 130 -17.368 3.363 -11.613 1.00 4.92 C ATOM 2108 CG LYS A 130 -16.367 3.260 -12.763 1.00 6.02 C ATOM 2109 CD LYS A 130 -17.110 2.958 -14.065 1.00 6.95 C ATOM 2110 CE LYS A 130 -16.257 2.030 -14.930 1.00 7.80 C ATOM 2111 NZ LYS A 130 -17.104 1.419 -15.991 1.00 8.08 N ATOM 0 H LYS A 130 -15.200 3.270 -9.730 1.00 3.59 H new ATOM 0 HA LYS A 130 -16.973 5.369 -10.923 1.00 4.11 H new ATOM 0 HB2 LYS A 130 -17.521 2.383 -11.162 1.00 4.92 H new ATOM 0 HB3 LYS A 130 -18.336 3.696 -11.988 1.00 4.92 H new ATOM 0 HG2 LYS A 130 -15.810 4.192 -12.858 1.00 6.02 H new ATOM 0 HG3 LYS A 130 -15.640 2.474 -12.557 1.00 6.02 H new ATOM 0 HD2 LYS A 130 -18.071 2.491 -13.849 1.00 6.95 H new ATOM 0 HD3 LYS A 130 -17.319 3.884 -14.601 1.00 6.95 H new ATOM 0 HE2 LYS A 130 -15.437 2.589 -15.382 1.00 7.80 H new ATOM 0 HE3 LYS A 130 -15.810 1.250 -14.313 1.00 7.80 H new ATOM 0 HZ1 LYS A 130 -16.523 0.788 -16.579 1.00 8.08 H new ATOM 0 HZ2 LYS A 130 -17.872 0.873 -15.551 1.00 8.08 H new ATOM 0 HZ3 LYS A 130 -17.510 2.169 -16.586 1.00 8.08 H new ATOM 2125 N CYS A 131 -17.245 4.855 -8.218 1.00 3.14 N ATOM 2126 CA CYS A 131 -17.962 4.714 -6.915 1.00 2.71 C ATOM 2127 C CYS A 131 -18.850 5.942 -6.677 1.00 2.65 C ATOM 2128 O CYS A 131 -19.909 5.847 -6.090 1.00 2.54 O ATOM 2129 CB CYS A 131 -16.933 4.599 -5.786 1.00 2.19 C ATOM 2130 SG CYS A 131 -17.764 4.676 -4.175 1.00 1.95 S ATOM 0 H CYS A 131 -16.466 5.513 -8.214 1.00 3.14 H new ATOM 0 HA CYS A 131 -18.586 3.821 -6.937 1.00 2.71 H new ATOM 0 HB2 CYS A 131 -16.385 3.661 -5.877 1.00 2.19 H new ATOM 0 HB3 CYS A 131 -16.202 5.404 -5.866 1.00 2.19 H new ATOM 2135 N SER A 132 -18.425 7.093 -7.126 1.00 2.93 N ATOM 2136 CA SER A 132 -19.243 8.322 -6.922 1.00 3.17 C ATOM 2137 C SER A 132 -20.314 8.416 -8.013 1.00 3.53 C ATOM 2138 O SER A 132 -20.069 8.116 -9.164 1.00 3.95 O ATOM 2139 CB SER A 132 -18.335 9.549 -6.995 1.00 3.67 C ATOM 2140 OG SER A 132 -17.429 9.396 -8.080 1.00 4.12 O ATOM 0 H SER A 132 -17.547 7.234 -7.625 1.00 2.93 H new ATOM 0 HA SER A 132 -19.726 8.279 -5.946 1.00 3.17 H new ATOM 0 HB2 SER A 132 -18.932 10.451 -7.129 1.00 3.67 H new ATOM 0 HB3 SER A 132 -17.786 9.666 -6.061 1.00 3.67 H new ATOM 0 HG SER A 132 -16.845 10.182 -8.132 1.00 4.12 H new ATOM 2146 N SER A 133 -21.499 8.838 -7.661 1.00 3.51 N ATOM 2147 CA SER A 133 -22.581 8.956 -8.678 1.00 3.97 C ATOM 2148 C SER A 133 -23.689 9.865 -8.140 1.00 4.39 C ATOM 2149 O SER A 133 -23.697 11.033 -8.494 1.00 5.65 O ATOM 2150 CB SER A 133 -23.160 7.571 -8.977 1.00 3.16 C ATOM 2151 OG SER A 133 -22.653 7.110 -10.221 1.00 3.86 O ATOM 2152 OXT SER A 133 -24.510 9.376 -7.382 1.00 3.75 O ATOM 0 H SER A 133 -21.763 9.106 -6.713 1.00 3.51 H new ATOM 0 HA SER A 133 -22.171 9.382 -9.594 1.00 3.97 H new ATOM 0 HB2 SER A 133 -22.895 6.874 -8.182 1.00 3.16 H new ATOM 0 HB3 SER A 133 -24.248 7.618 -9.010 1.00 3.16 H new ATOM 0 HG SER A 133 -21.690 7.287 -10.268 1.00 3.86 H new TER 2158 SER A 133