USER MOD reduce.3.24.130724 H: found=0, std=0, add=1033, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1037 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 LYS NZ :NH3+ -167:sc= 1.14 (180deg=-0.14) USER MOD Set 1.2: B 70 GLN : amide:sc= 1.04 K(o=2.2,f=-5.8!) USER MOD Set 2.1: B 23 TYR OH : rot 180:sc= 1.02 USER MOD Set 2.2: B 64 SER OG : rot 66:sc= 1.23 USER MOD Set 3.1: A 70 GLN : amide:sc= 0.907 K(o=2.1,f=-5.4) USER MOD Set 3.2: B 83 LYS NZ :NH3+ -150:sc= 1.23 (180deg=-0.104) USER MOD Set 4.1: A 23 TYR OH : rot 180:sc= 1.07 USER MOD Set 4.2: A 64 SER OG : rot 56:sc= 1.22 USER MOD Single : A 17 ASN : amide:sc= -2.08 K(o=-2.1,f=-9.9!) USER MOD Single : A 18 LYS NZ :NH3+ 165:sc= -0.0593 (180deg=-0.335) USER MOD Single : A 19 LYS NZ :NH3+ -175:sc= 1.03 (180deg=0.938) USER MOD Single : A 27 GLN : amide:sc= -0.979 K(o=-0.98,f=-0.11) USER MOD Single : A 30 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.8!) USER MOD Single : A 32 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.32) USER MOD Single : A 35 HIS : no HD1:sc=-0.00788 X(o=-0.0079,f=-0.12) USER MOD Single : A 39 SER OG : rot 180:sc= 0.11 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.786 K(o=-0.79,f=-0.0065) USER MOD Single : A 45 SER OG : rot 97:sc= 1.26 USER MOD Single : A 51 GLN : amide:sc= -0.893 K(o=-0.89,f=-0.1) USER MOD Single : A 52 CYS SG : rot 62:sc= 0.629 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -170:sc= -0.0169 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0788 USER MOD Single : A 81 THR OG1 : rot -48:sc= 0.68 USER MOD Single : B 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 17 ASN : amide:sc= -2.31! C(o=-2.3!,f=-10!) USER MOD Single : B 18 LYS NZ :NH3+ 165:sc= -0.0406 (180deg=-0.295) USER MOD Single : B 19 LYS NZ :NH3+ -172:sc= 1.06 (180deg=0.952) USER MOD Single : B 27 GLN : amide:sc= -0.989 K(o=-0.99,f=-0.15) USER MOD Single : B 30 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.9!) USER MOD Single : B 32 GLN : amide:sc= -0.189 X(o=-0.19,f=-0.17) USER MOD Single : B 35 HIS : no HD1:sc= -0.015 X(o=-0.015,f=-0.12) USER MOD Single : B 39 SER OG : rot -102:sc= 0.0181 USER MOD Single : B 40 SER OG : rot 180:sc= 0 USER MOD Single : B 43 GLN : amide:sc= -0.828 K(o=-0.83,f=-0.0017) USER MOD Single : B 45 SER OG : rot 85:sc= 1.25 USER MOD Single : B 51 GLN : amide:sc= -0.868 K(o=-0.87,f=-0.12) USER MOD Single : B 52 CYS SG : rot 66:sc= 0.598 USER MOD Single : B 55 THR OG1 : rot 180:sc= 0 USER MOD Single : B 60 THR OG1 : rot -170:sc= -0.0157 USER MOD Single : B 71 THR OG1 : rot 180:sc= 0.0943 USER MOD Single : B 81 THR OG1 : rot -45:sc= 0.587 USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 16 14.149 6.477 -2.286 1.00 1.26 N ATOM 21 CA ASP A 16 13.054 5.669 -2.801 1.00 1.13 C ATOM 22 C ASP A 16 11.857 5.732 -1.866 1.00 0.92 C ATOM 23 O ASP A 16 11.921 5.271 -0.727 1.00 1.01 O ATOM 24 CB ASP A 16 13.486 4.209 -2.983 1.00 1.39 C ATOM 25 CG ASP A 16 14.537 4.030 -4.060 1.00 1.84 C ATOM 26 OD1 ASP A 16 14.163 3.898 -5.245 1.00 2.40 O ATOM 27 OD2 ASP A 16 15.741 4.006 -3.726 1.00 2.28 O ATOM 0 HA ASP A 16 12.772 6.075 -3.772 1.00 1.13 H new ATOM 0 HB2 ASP A 16 13.875 3.831 -2.038 1.00 1.39 H new ATOM 0 HB3 ASP A 16 12.613 3.606 -3.232 1.00 1.39 H new ATOM 32 N ASN A 17 10.767 6.308 -2.347 1.00 0.78 N ATOM 33 CA ASN A 17 9.539 6.384 -1.568 1.00 0.74 C ATOM 34 C ASN A 17 8.842 5.031 -1.558 1.00 0.61 C ATOM 35 O ASN A 17 8.089 4.721 -0.641 1.00 0.65 O ATOM 36 CB ASN A 17 8.603 7.456 -2.136 1.00 0.92 C ATOM 37 CG ASN A 17 7.329 7.617 -1.322 1.00 1.56 C ATOM 38 OD1 ASN A 17 7.288 8.379 -0.358 1.00 2.52 O ATOM 39 ND2 ASN A 17 6.276 6.914 -1.713 1.00 1.71 N ATOM 0 H ASN A 17 10.706 6.730 -3.273 1.00 0.78 H new ATOM 0 HA ASN A 17 9.796 6.659 -0.545 1.00 0.74 H new ATOM 0 HB2 ASN A 17 9.129 8.410 -2.171 1.00 0.92 H new ATOM 0 HB3 ASN A 17 8.343 7.198 -3.162 1.00 0.92 H new ATOM 0 HD21 ASN A 17 5.393 6.995 -1.209 1.00 1.71 H new ATOM 0 HD22 ASN A 17 6.349 6.292 -2.518 1.00 1.71 H new ATOM 46 N LYS A 18 9.114 4.231 -2.586 1.00 0.59 N ATOM 47 CA LYS A 18 8.520 2.902 -2.724 1.00 0.62 C ATOM 48 C LYS A 18 8.695 2.071 -1.452 1.00 0.53 C ATOM 49 O LYS A 18 7.747 1.459 -0.965 1.00 0.48 O ATOM 50 CB LYS A 18 9.150 2.159 -3.907 1.00 0.82 C ATOM 51 CG LYS A 18 8.915 2.818 -5.258 1.00 1.09 C ATOM 52 CD LYS A 18 7.441 2.828 -5.634 1.00 1.04 C ATOM 53 CE LYS A 18 7.223 3.390 -7.032 1.00 1.44 C ATOM 54 NZ LYS A 18 7.892 2.568 -8.075 1.00 1.90 N ATOM 0 H LYS A 18 9.749 4.483 -3.344 1.00 0.59 H new ATOM 0 HA LYS A 18 7.453 3.039 -2.900 1.00 0.62 H new ATOM 0 HB2 LYS A 18 10.224 2.076 -3.738 1.00 0.82 H new ATOM 0 HB3 LYS A 18 8.753 1.144 -3.937 1.00 0.82 H new ATOM 0 HG2 LYS A 18 9.291 3.841 -5.233 1.00 1.09 H new ATOM 0 HG3 LYS A 18 9.482 2.289 -6.024 1.00 1.09 H new ATOM 0 HD2 LYS A 18 7.045 1.814 -5.583 1.00 1.04 H new ATOM 0 HD3 LYS A 18 6.884 3.424 -4.911 1.00 1.04 H new ATOM 0 HE2 LYS A 18 6.154 3.439 -7.240 1.00 1.44 H new ATOM 0 HE3 LYS A 18 7.604 4.410 -7.076 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 7.519 2.825 -9.011 1.00 1.90 H new ATOM 0 HZ2 LYS A 18 8.917 2.743 -8.050 1.00 1.90 H new ATOM 0 HZ3 LYS A 18 7.708 1.561 -7.894 1.00 1.90 H new ATOM 68 N LYS A 19 9.908 2.070 -0.914 1.00 0.60 N ATOM 69 CA LYS A 19 10.219 1.262 0.258 1.00 0.61 C ATOM 70 C LYS A 19 9.550 1.820 1.516 1.00 0.53 C ATOM 71 O LYS A 19 8.988 1.065 2.310 1.00 0.55 O ATOM 72 CB LYS A 19 11.738 1.149 0.436 1.00 0.77 C ATOM 73 CG LYS A 19 12.463 2.481 0.484 1.00 0.82 C ATOM 74 CD LYS A 19 13.968 2.305 0.336 1.00 1.19 C ATOM 75 CE LYS A 19 14.561 1.433 1.436 1.00 1.06 C ATOM 76 NZ LYS A 19 14.468 2.072 2.773 1.00 1.49 N ATOM 0 H LYS A 19 10.691 2.618 -1.270 1.00 0.60 H new ATOM 0 HA LYS A 19 9.817 0.261 0.100 1.00 0.61 H new ATOM 0 HB2 LYS A 19 11.944 0.603 1.357 1.00 0.77 H new ATOM 0 HB3 LYS A 19 12.145 0.557 -0.384 1.00 0.77 H new ATOM 0 HG2 LYS A 19 12.092 3.127 -0.311 1.00 0.82 H new ATOM 0 HG3 LYS A 19 12.246 2.981 1.428 1.00 0.82 H new ATOM 0 HD2 LYS A 19 14.185 1.859 -0.635 1.00 1.19 H new ATOM 0 HD3 LYS A 19 14.449 3.283 0.352 1.00 1.19 H new ATOM 0 HE2 LYS A 19 14.042 0.475 1.457 1.00 1.06 H new ATOM 0 HE3 LYS A 19 15.606 1.224 1.207 1.00 1.06 H new ATOM 0 HZ1 LYS A 19 14.958 1.482 3.475 1.00 1.49 H new ATOM 0 HZ2 LYS A 19 14.912 3.012 2.740 1.00 1.49 H new ATOM 0 HZ3 LYS A 19 13.468 2.171 3.042 1.00 1.49 H new ATOM 90 N ARG A 20 9.584 3.140 1.674 1.00 0.54 N ATOM 91 CA ARG A 20 8.937 3.793 2.812 1.00 0.58 C ATOM 92 C ARG A 20 7.426 3.601 2.753 1.00 0.54 C ATOM 93 O ARG A 20 6.758 3.491 3.782 1.00 0.61 O ATOM 94 CB ARG A 20 9.274 5.284 2.843 1.00 0.70 C ATOM 95 CG ARG A 20 10.651 5.590 3.407 1.00 0.82 C ATOM 96 CD ARG A 20 10.940 7.082 3.383 1.00 1.01 C ATOM 97 NE ARG A 20 12.037 7.439 4.280 1.00 1.31 N ATOM 98 CZ ARG A 20 12.800 8.522 4.144 1.00 1.45 C ATOM 99 NH1 ARG A 20 12.609 9.364 3.133 1.00 1.32 N ATOM 100 NH2 ARG A 20 13.754 8.765 5.033 1.00 2.34 N ATOM 0 H ARG A 20 10.051 3.779 1.031 1.00 0.54 H new ATOM 0 HA ARG A 20 9.314 3.331 3.725 1.00 0.58 H new ATOM 0 HB2 ARG A 20 9.210 5.683 1.831 1.00 0.70 H new ATOM 0 HB3 ARG A 20 8.524 5.804 3.439 1.00 0.70 H new ATOM 0 HG2 ARG A 20 10.717 5.221 4.431 1.00 0.82 H new ATOM 0 HG3 ARG A 20 11.409 5.062 2.828 1.00 0.82 H new ATOM 0 HD2 ARG A 20 11.188 7.387 2.367 1.00 1.01 H new ATOM 0 HD3 ARG A 20 10.043 7.630 3.671 1.00 1.01 H new ATOM 0 HE ARG A 20 12.232 6.816 5.064 1.00 1.31 H new ATOM 0 HH11 ARG A 20 11.872 9.184 2.451 1.00 1.32 H new ATOM 0 HH12 ARG A 20 13.200 10.190 3.039 1.00 1.32 H new ATOM 0 HH21 ARG A 20 13.899 8.125 5.814 1.00 2.34 H new ATOM 0 HH22 ARG A 20 14.343 9.592 4.936 1.00 2.34 H new ATOM 114 N LEU A 21 6.899 3.571 1.536 1.00 0.54 N ATOM 115 CA LEU A 21 5.491 3.292 1.302 1.00 0.59 C ATOM 116 C LEU A 21 5.113 1.933 1.880 1.00 0.57 C ATOM 117 O LEU A 21 4.144 1.813 2.632 1.00 0.64 O ATOM 118 CB LEU A 21 5.204 3.341 -0.205 1.00 0.64 C ATOM 119 CG LEU A 21 3.859 2.766 -0.659 1.00 0.61 C ATOM 120 CD1 LEU A 21 2.707 3.432 0.072 1.00 0.70 C ATOM 121 CD2 LEU A 21 3.694 2.949 -2.157 1.00 0.61 C ATOM 0 H LEU A 21 7.436 3.739 0.685 1.00 0.54 H new ATOM 0 HA LEU A 21 4.887 4.049 1.803 1.00 0.59 H new ATOM 0 HB2 LEU A 21 5.259 4.380 -0.530 1.00 0.64 H new ATOM 0 HB3 LEU A 21 5.998 2.803 -0.722 1.00 0.64 H new ATOM 0 HG LEU A 21 3.847 1.702 -0.421 1.00 0.61 H new ATOM 0 HD11 LEU A 21 1.764 3.005 -0.269 1.00 0.70 H new ATOM 0 HD12 LEU A 21 2.813 3.267 1.144 1.00 0.70 H new ATOM 0 HD13 LEU A 21 2.716 4.502 -0.133 1.00 0.70 H new ATOM 0 HD21 LEU A 21 2.735 2.537 -2.470 1.00 0.61 H new ATOM 0 HD22 LEU A 21 3.730 4.011 -2.400 1.00 0.61 H new ATOM 0 HD23 LEU A 21 4.499 2.431 -2.678 1.00 0.61 H new ATOM 133 N ALA A 22 5.898 0.921 1.538 1.00 0.56 N ATOM 134 CA ALA A 22 5.666 -0.426 2.032 1.00 0.63 C ATOM 135 C ALA A 22 5.768 -0.471 3.548 1.00 0.51 C ATOM 136 O ALA A 22 4.878 -0.985 4.222 1.00 0.44 O ATOM 137 CB ALA A 22 6.660 -1.392 1.415 1.00 0.83 C ATOM 0 H ALA A 22 6.703 1.009 0.918 1.00 0.56 H new ATOM 0 HA ALA A 22 4.657 -0.724 1.745 1.00 0.63 H new ATOM 0 HB1 ALA A 22 6.474 -2.397 1.794 1.00 0.83 H new ATOM 0 HB2 ALA A 22 6.548 -1.387 0.331 1.00 0.83 H new ATOM 0 HB3 ALA A 22 7.673 -1.087 1.676 1.00 0.83 H new ATOM 143 N TYR A 23 6.853 0.090 4.072 1.00 0.62 N ATOM 144 CA TYR A 23 7.099 0.110 5.508 1.00 0.76 C ATOM 145 C TYR A 23 5.936 0.740 6.269 1.00 0.67 C ATOM 146 O TYR A 23 5.459 0.190 7.263 1.00 0.67 O ATOM 147 CB TYR A 23 8.391 0.872 5.808 1.00 1.11 C ATOM 148 CG TYR A 23 8.490 1.354 7.240 1.00 1.03 C ATOM 149 CD1 TYR A 23 8.807 0.479 8.269 1.00 1.46 C ATOM 150 CD2 TYR A 23 8.240 2.684 7.560 1.00 1.86 C ATOM 151 CE1 TYR A 23 8.876 0.917 9.576 1.00 1.82 C ATOM 152 CE2 TYR A 23 8.303 3.127 8.864 1.00 2.48 C ATOM 153 CZ TYR A 23 8.621 2.242 9.868 1.00 2.23 C ATOM 154 OH TYR A 23 8.684 2.680 11.175 1.00 2.99 O ATOM 0 H TYR A 23 7.581 0.540 3.517 1.00 0.62 H new ATOM 0 HA TYR A 23 7.198 -0.923 5.843 1.00 0.76 H new ATOM 0 HB2 TYR A 23 9.242 0.227 5.590 1.00 1.11 H new ATOM 0 HB3 TYR A 23 8.461 1.729 5.139 1.00 1.11 H new ATOM 0 HD1 TYR A 23 9.002 -0.559 8.044 1.00 1.46 H new ATOM 0 HD2 TYR A 23 7.992 3.382 6.774 1.00 1.86 H new ATOM 0 HE1 TYR A 23 9.128 0.226 10.367 1.00 1.82 H new ATOM 0 HE2 TYR A 23 8.104 4.163 9.096 1.00 2.48 H new ATOM 0 HH TYR A 23 8.479 3.638 11.209 1.00 2.99 H new ATOM 164 N ALA A 24 5.490 1.895 5.798 1.00 0.72 N ATOM 165 CA ALA A 24 4.410 2.623 6.446 1.00 0.87 C ATOM 166 C ALA A 24 3.146 1.786 6.517 1.00 0.75 C ATOM 167 O ALA A 24 2.457 1.758 7.538 1.00 0.84 O ATOM 168 CB ALA A 24 4.137 3.910 5.701 1.00 1.14 C ATOM 0 H ALA A 24 5.862 2.350 4.964 1.00 0.72 H new ATOM 0 HA ALA A 24 4.720 2.853 7.465 1.00 0.87 H new ATOM 0 HB1 ALA A 24 3.327 4.450 6.192 1.00 1.14 H new ATOM 0 HB2 ALA A 24 5.036 4.527 5.699 1.00 1.14 H new ATOM 0 HB3 ALA A 24 3.851 3.682 4.674 1.00 1.14 H new ATOM 174 N ILE A 25 2.850 1.107 5.423 1.00 0.62 N ATOM 175 CA ILE A 25 1.687 0.244 5.350 1.00 0.71 C ATOM 176 C ILE A 25 1.880 -0.983 6.241 1.00 0.61 C ATOM 177 O ILE A 25 0.941 -1.442 6.887 1.00 0.66 O ATOM 178 CB ILE A 25 1.404 -0.156 3.884 1.00 0.80 C ATOM 179 CG1 ILE A 25 0.990 1.093 3.096 1.00 0.97 C ATOM 180 CG2 ILE A 25 0.331 -1.232 3.795 1.00 0.91 C ATOM 181 CD1 ILE A 25 0.741 0.847 1.626 1.00 0.89 C ATOM 0 H ILE A 25 3.404 1.138 4.567 1.00 0.62 H new ATOM 0 HA ILE A 25 0.817 0.788 5.718 1.00 0.71 H new ATOM 0 HB ILE A 25 2.312 -0.576 3.452 1.00 0.80 H new ATOM 0 HG12 ILE A 25 0.085 1.506 3.542 1.00 0.97 H new ATOM 0 HG13 ILE A 25 1.769 1.848 3.199 1.00 0.97 H new ATOM 0 HG21 ILE A 25 0.158 -1.488 2.750 1.00 0.91 H new ATOM 0 HG22 ILE A 25 0.660 -2.119 4.336 1.00 0.91 H new ATOM 0 HG23 ILE A 25 -0.594 -0.860 4.235 1.00 0.91 H new ATOM 0 HD11 ILE A 25 0.453 1.781 1.144 1.00 0.89 H new ATOM 0 HD12 ILE A 25 1.650 0.465 1.162 1.00 0.89 H new ATOM 0 HD13 ILE A 25 -0.060 0.117 1.510 1.00 0.89 H new ATOM 193 N ILE A 26 3.112 -1.482 6.300 1.00 0.53 N ATOM 194 CA ILE A 26 3.462 -2.580 7.197 1.00 0.53 C ATOM 195 C ILE A 26 3.142 -2.222 8.650 1.00 0.51 C ATOM 196 O ILE A 26 2.480 -2.982 9.356 1.00 0.53 O ATOM 197 CB ILE A 26 4.964 -2.952 7.074 1.00 0.58 C ATOM 198 CG1 ILE A 26 5.230 -3.643 5.732 1.00 0.67 C ATOM 199 CG2 ILE A 26 5.418 -3.831 8.238 1.00 0.62 C ATOM 200 CD1 ILE A 26 6.682 -4.020 5.515 1.00 0.78 C ATOM 0 H ILE A 26 3.889 -1.141 5.734 1.00 0.53 H new ATOM 0 HA ILE A 26 2.863 -3.441 6.901 1.00 0.53 H new ATOM 0 HB ILE A 26 5.546 -2.031 7.114 1.00 0.58 H new ATOM 0 HG12 ILE A 26 4.618 -4.543 5.669 1.00 0.67 H new ATOM 0 HG13 ILE A 26 4.911 -2.983 4.925 1.00 0.67 H new ATOM 0 HG21 ILE A 26 6.474 -4.073 8.121 1.00 0.62 H new ATOM 0 HG22 ILE A 26 5.270 -3.297 9.177 1.00 0.62 H new ATOM 0 HG23 ILE A 26 4.834 -4.751 8.248 1.00 0.62 H new ATOM 0 HD11 ILE A 26 6.791 -4.504 4.544 1.00 0.78 H new ATOM 0 HD12 ILE A 26 7.299 -3.122 5.544 1.00 0.78 H new ATOM 0 HD13 ILE A 26 7.001 -4.705 6.300 1.00 0.78 H new ATOM 212 N GLN A 27 3.592 -1.049 9.081 1.00 0.54 N ATOM 213 CA GLN A 27 3.411 -0.624 10.466 1.00 0.62 C ATOM 214 C GLN A 27 1.957 -0.279 10.766 1.00 0.55 C ATOM 215 O GLN A 27 1.457 -0.561 11.856 1.00 0.57 O ATOM 216 CB GLN A 27 4.304 0.574 10.783 1.00 0.79 C ATOM 217 CG GLN A 27 5.786 0.280 10.634 1.00 0.89 C ATOM 218 CD GLN A 27 6.263 -0.861 11.518 1.00 1.10 C ATOM 219 OE1 GLN A 27 7.189 -1.587 11.161 1.00 1.58 O ATOM 220 NE2 GLN A 27 5.647 -1.021 12.680 1.00 1.34 N ATOM 0 H GLN A 27 4.084 -0.376 8.493 1.00 0.54 H new ATOM 0 HA GLN A 27 3.697 -1.463 11.101 1.00 0.62 H new ATOM 0 HB2 GLN A 27 4.037 1.400 10.124 1.00 0.79 H new ATOM 0 HB3 GLN A 27 4.108 0.904 11.803 1.00 0.79 H new ATOM 0 HG2 GLN A 27 5.999 0.037 9.593 1.00 0.89 H new ATOM 0 HG3 GLN A 27 6.354 1.179 10.874 1.00 0.89 H new ATOM 0 HE21 GLN A 27 4.882 -0.399 12.942 1.00 1.34 H new ATOM 0 HE22 GLN A 27 5.937 -1.766 13.313 1.00 1.34 H new ATOM 229 N PHE A 28 1.276 0.332 9.809 1.00 0.52 N ATOM 230 CA PHE A 28 -0.113 0.710 10.012 1.00 0.51 C ATOM 231 C PHE A 28 -1.002 -0.525 10.055 1.00 0.43 C ATOM 232 O PHE A 28 -1.812 -0.683 10.966 1.00 0.42 O ATOM 233 CB PHE A 28 -0.589 1.666 8.921 1.00 0.60 C ATOM 234 CG PHE A 28 -1.988 2.167 9.143 1.00 0.90 C ATOM 235 CD1 PHE A 28 -2.274 3.003 10.210 1.00 1.62 C ATOM 236 CD2 PHE A 28 -3.017 1.795 8.294 1.00 1.60 C ATOM 237 CE1 PHE A 28 -3.559 3.460 10.425 1.00 1.95 C ATOM 238 CE2 PHE A 28 -4.304 2.249 8.503 1.00 1.98 C ATOM 239 CZ PHE A 28 -4.575 3.083 9.570 1.00 1.83 C ATOM 0 H PHE A 28 1.657 0.574 8.894 1.00 0.52 H new ATOM 0 HA PHE A 28 -0.182 1.226 10.970 1.00 0.51 H new ATOM 0 HB2 PHE A 28 0.091 2.516 8.870 1.00 0.60 H new ATOM 0 HB3 PHE A 28 -0.540 1.160 7.957 1.00 0.60 H new ATOM 0 HD1 PHE A 28 -1.482 3.301 10.882 1.00 1.62 H new ATOM 0 HD2 PHE A 28 -2.810 1.142 7.459 1.00 1.60 H new ATOM 0 HE1 PHE A 28 -3.769 4.111 11.261 1.00 1.95 H new ATOM 0 HE2 PHE A 28 -5.098 1.952 7.833 1.00 1.98 H new ATOM 0 HZ PHE A 28 -5.581 3.440 9.735 1.00 1.83 H new ATOM 249 N LEU A 29 -0.825 -1.411 9.083 1.00 0.45 N ATOM 250 CA LEU A 29 -1.606 -2.640 9.022 1.00 0.45 C ATOM 251 C LEU A 29 -1.263 -3.550 10.193 1.00 0.45 C ATOM 252 O LEU A 29 -2.063 -4.387 10.582 1.00 0.48 O ATOM 253 CB LEU A 29 -1.382 -3.365 7.692 1.00 0.53 C ATOM 254 CG LEU A 29 -2.298 -2.935 6.537 1.00 0.59 C ATOM 255 CD1 LEU A 29 -2.240 -1.429 6.306 1.00 0.57 C ATOM 256 CD2 LEU A 29 -1.923 -3.682 5.266 1.00 0.70 C ATOM 0 H LEU A 29 -0.149 -1.302 8.327 1.00 0.45 H new ATOM 0 HA LEU A 29 -2.661 -2.375 9.089 1.00 0.45 H new ATOM 0 HB2 LEU A 29 -0.347 -3.213 7.386 1.00 0.53 H new ATOM 0 HB3 LEU A 29 -1.512 -4.435 7.856 1.00 0.53 H new ATOM 0 HG LEU A 29 -3.323 -3.187 6.810 1.00 0.59 H new ATOM 0 HD11 LEU A 29 -2.901 -1.162 5.481 1.00 0.57 H new ATOM 0 HD12 LEU A 29 -2.559 -0.910 7.210 1.00 0.57 H new ATOM 0 HD13 LEU A 29 -1.219 -1.137 6.062 1.00 0.57 H new ATOM 0 HD21 LEU A 29 -2.579 -3.370 4.453 1.00 0.70 H new ATOM 0 HD22 LEU A 29 -0.889 -3.458 5.004 1.00 0.70 H new ATOM 0 HD23 LEU A 29 -2.032 -4.754 5.428 1.00 0.70 H new ATOM 268 N HIS A 30 -0.068 -3.373 10.745 1.00 0.47 N ATOM 269 CA HIS A 30 0.350 -4.077 11.957 1.00 0.53 C ATOM 270 C HIS A 30 -0.618 -3.796 13.107 1.00 0.47 C ATOM 271 O HIS A 30 -1.183 -4.713 13.706 1.00 0.49 O ATOM 272 CB HIS A 30 1.773 -3.636 12.335 1.00 0.67 C ATOM 273 CG HIS A 30 2.246 -4.093 13.684 1.00 0.93 C ATOM 274 ND1 HIS A 30 2.159 -3.310 14.815 1.00 1.11 N ATOM 275 CD2 HIS A 30 2.841 -5.244 14.072 1.00 1.18 C ATOM 276 CE1 HIS A 30 2.682 -3.959 15.838 1.00 1.37 C ATOM 277 NE2 HIS A 30 3.103 -5.137 15.415 1.00 1.41 N ATOM 0 H HIS A 30 0.638 -2.740 10.368 1.00 0.47 H new ATOM 0 HA HIS A 30 0.342 -5.150 11.766 1.00 0.53 H new ATOM 0 HB2 HIS A 30 2.465 -4.009 11.580 1.00 0.67 H new ATOM 0 HB3 HIS A 30 1.820 -2.548 12.301 1.00 0.67 H new ATOM 0 HD1 HIS A 30 1.754 -2.375 14.855 1.00 1.11 H new ATOM 0 HD2 HIS A 30 3.068 -6.091 13.441 1.00 1.18 H new ATOM 0 HE1 HIS A 30 2.754 -3.589 16.850 1.00 1.37 H new ATOM 286 N ASP A 31 -0.813 -2.519 13.398 1.00 0.48 N ATOM 287 CA ASP A 31 -1.670 -2.111 14.503 1.00 0.51 C ATOM 288 C ASP A 31 -3.138 -2.233 14.127 1.00 0.45 C ATOM 289 O ASP A 31 -3.962 -2.663 14.933 1.00 0.49 O ATOM 290 CB ASP A 31 -1.341 -0.681 14.930 1.00 0.63 C ATOM 291 CG ASP A 31 -0.023 -0.593 15.672 1.00 1.24 C ATOM 292 OD1 ASP A 31 1.035 -0.864 15.062 1.00 1.98 O ATOM 293 OD2 ASP A 31 -0.040 -0.266 16.879 1.00 1.79 O ATOM 0 H ASP A 31 -0.390 -1.746 12.885 1.00 0.48 H new ATOM 0 HA ASP A 31 -1.482 -2.778 15.345 1.00 0.51 H new ATOM 0 HB2 ASP A 31 -1.303 -0.040 14.049 1.00 0.63 H new ATOM 0 HB3 ASP A 31 -2.140 -0.301 15.566 1.00 0.63 H new ATOM 298 N GLN A 32 -3.457 -1.875 12.889 1.00 0.42 N ATOM 299 CA GLN A 32 -4.816 -2.005 12.369 1.00 0.43 C ATOM 300 C GLN A 32 -5.266 -3.464 12.415 1.00 0.38 C ATOM 301 O GLN A 32 -6.452 -3.759 12.583 1.00 0.43 O ATOM 302 CB GLN A 32 -4.872 -1.469 10.935 1.00 0.52 C ATOM 303 CG GLN A 32 -6.214 -1.651 10.245 1.00 0.57 C ATOM 304 CD GLN A 32 -6.194 -1.140 8.820 1.00 1.17 C ATOM 305 OE1 GLN A 32 -6.551 0.007 8.548 1.00 1.92 O ATOM 306 NE2 GLN A 32 -5.743 -1.981 7.901 1.00 1.31 N ATOM 0 H GLN A 32 -2.789 -1.490 12.221 1.00 0.42 H new ATOM 0 HA GLN A 32 -5.494 -1.421 12.991 1.00 0.43 H new ATOM 0 HB2 GLN A 32 -4.626 -0.407 10.948 1.00 0.52 H new ATOM 0 HB3 GLN A 32 -4.104 -1.968 10.344 1.00 0.52 H new ATOM 0 HG2 GLN A 32 -6.482 -2.707 10.247 1.00 0.57 H new ATOM 0 HG3 GLN A 32 -6.985 -1.125 10.808 1.00 0.57 H new ATOM 0 HE21 GLN A 32 -5.457 -2.923 8.168 1.00 1.31 H new ATOM 0 HE22 GLN A 32 -5.682 -1.686 6.926 1.00 1.31 H new ATOM 315 N LEU A 33 -4.306 -4.370 12.277 1.00 0.36 N ATOM 316 CA LEU A 33 -4.570 -5.799 12.351 1.00 0.42 C ATOM 317 C LEU A 33 -5.064 -6.162 13.743 1.00 0.46 C ATOM 318 O LEU A 33 -6.101 -6.807 13.903 1.00 0.54 O ATOM 319 CB LEU A 33 -3.286 -6.579 12.026 1.00 0.53 C ATOM 320 CG LEU A 33 -3.474 -7.992 11.470 1.00 0.80 C ATOM 321 CD1 LEU A 33 -3.908 -8.962 12.558 1.00 1.22 C ATOM 322 CD2 LEU A 33 -4.487 -7.972 10.343 1.00 0.83 C ATOM 0 H LEU A 33 -3.327 -4.135 12.111 1.00 0.36 H new ATOM 0 HA LEU A 33 -5.340 -6.061 11.625 1.00 0.42 H new ATOM 0 HB2 LEU A 33 -2.708 -6.001 11.304 1.00 0.53 H new ATOM 0 HB3 LEU A 33 -2.687 -6.646 12.934 1.00 0.53 H new ATOM 0 HG LEU A 33 -2.515 -8.337 11.083 1.00 0.80 H new ATOM 0 HD11 LEU A 33 -4.033 -9.957 12.130 1.00 1.22 H new ATOM 0 HD12 LEU A 33 -3.149 -8.996 13.339 1.00 1.22 H new ATOM 0 HD13 LEU A 33 -4.854 -8.630 12.985 1.00 1.22 H new ATOM 0 HD21 LEU A 33 -4.616 -8.981 9.952 1.00 0.83 H new ATOM 0 HD22 LEU A 33 -5.442 -7.604 10.718 1.00 0.83 H new ATOM 0 HD23 LEU A 33 -4.133 -7.317 9.547 1.00 0.83 H new ATOM 334 N ARG A 34 -4.324 -5.716 14.748 1.00 0.47 N ATOM 335 CA ARG A 34 -4.638 -6.030 16.134 1.00 0.58 C ATOM 336 C ARG A 34 -5.882 -5.280 16.602 1.00 0.58 C ATOM 337 O ARG A 34 -6.574 -5.729 17.513 1.00 0.69 O ATOM 338 CB ARG A 34 -3.450 -5.693 17.037 1.00 0.69 C ATOM 339 CG ARG A 34 -2.164 -6.404 16.641 1.00 1.40 C ATOM 340 CD ARG A 34 -2.338 -7.913 16.644 1.00 1.45 C ATOM 341 NE ARG A 34 -1.145 -8.604 16.165 1.00 2.17 N ATOM 342 CZ ARG A 34 -1.160 -9.812 15.601 1.00 2.52 C ATOM 343 NH1 ARG A 34 -2.306 -10.471 15.472 1.00 2.19 N ATOM 344 NH2 ARG A 34 -0.030 -10.362 15.171 1.00 3.49 N ATOM 0 H ARG A 34 -3.497 -5.132 14.628 1.00 0.47 H new ATOM 0 HA ARG A 34 -4.842 -7.099 16.198 1.00 0.58 H new ATOM 0 HB2 ARG A 34 -3.282 -4.616 17.015 1.00 0.69 H new ATOM 0 HB3 ARG A 34 -3.699 -5.956 18.065 1.00 0.69 H new ATOM 0 HG2 ARG A 34 -1.856 -6.074 15.649 1.00 1.40 H new ATOM 0 HG3 ARG A 34 -1.367 -6.127 17.331 1.00 1.40 H new ATOM 0 HD2 ARG A 34 -2.570 -8.249 17.655 1.00 1.45 H new ATOM 0 HD3 ARG A 34 -3.188 -8.181 16.016 1.00 1.45 H new ATOM 0 HE ARG A 34 -0.245 -8.134 16.268 1.00 2.17 H new ATOM 0 HH11 ARG A 34 -3.175 -10.053 15.804 1.00 2.19 H new ATOM 0 HH12 ARG A 34 -2.317 -11.395 15.040 1.00 2.19 H new ATOM 0 HH21 ARG A 34 0.852 -9.860 15.272 1.00 3.49 H new ATOM 0 HH22 ARG A 34 -0.044 -11.286 14.740 1.00 3.49 H new ATOM 358 N HIS A 35 -6.169 -4.146 15.970 1.00 0.53 N ATOM 359 CA HIS A 35 -7.330 -3.340 16.343 1.00 0.58 C ATOM 360 C HIS A 35 -8.596 -3.828 15.647 1.00 0.58 C ATOM 361 O HIS A 35 -9.701 -3.405 15.983 1.00 0.74 O ATOM 362 CB HIS A 35 -7.111 -1.859 16.011 1.00 0.59 C ATOM 363 CG HIS A 35 -6.057 -1.191 16.840 1.00 1.15 C ATOM 364 ND1 HIS A 35 -5.151 -0.291 16.322 1.00 1.98 N ATOM 365 CD2 HIS A 35 -5.774 -1.283 18.160 1.00 1.61 C ATOM 366 CE1 HIS A 35 -4.359 0.138 17.286 1.00 2.68 C ATOM 367 NE2 HIS A 35 -4.718 -0.447 18.409 1.00 2.42 N ATOM 0 H HIS A 35 -5.618 -3.765 15.201 1.00 0.53 H new ATOM 0 HA HIS A 35 -7.454 -3.450 17.420 1.00 0.58 H new ATOM 0 HB2 HIS A 35 -6.839 -1.771 14.959 1.00 0.59 H new ATOM 0 HB3 HIS A 35 -8.053 -1.326 16.143 1.00 0.59 H new ATOM 0 HD2 HIS A 35 -6.286 -1.901 18.883 1.00 1.61 H new ATOM 0 HE1 HIS A 35 -3.553 0.848 17.173 1.00 2.68 H new ATOM 0 HE2 HIS A 35 -4.280 -0.301 19.319 1.00 2.42 H new ATOM 376 N GLY A 36 -8.426 -4.719 14.673 1.00 0.49 N ATOM 377 CA GLY A 36 -9.558 -5.230 13.923 1.00 0.51 C ATOM 378 C GLY A 36 -10.158 -4.177 13.016 1.00 0.47 C ATOM 379 O GLY A 36 -11.377 -4.035 12.938 1.00 0.53 O ATOM 0 H GLY A 36 -7.521 -5.096 14.390 1.00 0.49 H new ATOM 0 HA2 GLY A 36 -9.241 -6.085 13.326 1.00 0.51 H new ATOM 0 HA3 GLY A 36 -10.320 -5.589 14.615 1.00 0.51 H new ATOM 383 N GLY A 37 -9.289 -3.434 12.336 1.00 0.41 N ATOM 384 CA GLY A 37 -9.729 -2.340 11.487 1.00 0.40 C ATOM 385 C GLY A 37 -10.704 -2.766 10.407 1.00 0.39 C ATOM 386 O GLY A 37 -11.713 -2.101 10.180 1.00 0.52 O ATOM 0 H GLY A 37 -8.279 -3.572 12.359 1.00 0.41 H new ATOM 0 HA2 GLY A 37 -10.197 -1.575 12.107 1.00 0.40 H new ATOM 0 HA3 GLY A 37 -8.858 -1.881 11.019 1.00 0.40 H new ATOM 390 N LEU A 38 -10.404 -3.863 9.726 1.00 0.36 N ATOM 391 CA LEU A 38 -11.273 -4.347 8.659 1.00 0.41 C ATOM 392 C LEU A 38 -12.170 -5.491 9.139 1.00 0.49 C ATOM 393 O LEU A 38 -13.115 -5.273 9.896 1.00 0.83 O ATOM 394 CB LEU A 38 -10.458 -4.786 7.434 1.00 0.44 C ATOM 395 CG LEU A 38 -9.917 -3.663 6.534 1.00 0.44 C ATOM 396 CD1 LEU A 38 -11.048 -2.781 6.030 1.00 0.51 C ATOM 397 CD2 LEU A 38 -8.875 -2.830 7.259 1.00 0.47 C ATOM 0 H LEU A 38 -9.573 -4.432 9.890 1.00 0.36 H new ATOM 0 HA LEU A 38 -11.914 -3.515 8.366 1.00 0.41 H new ATOM 0 HB2 LEU A 38 -9.614 -5.382 7.781 1.00 0.44 H new ATOM 0 HB3 LEU A 38 -11.082 -5.441 6.826 1.00 0.44 H new ATOM 0 HG LEU A 38 -9.436 -4.131 5.675 1.00 0.44 H new ATOM 0 HD11 LEU A 38 -10.641 -1.994 5.396 1.00 0.51 H new ATOM 0 HD12 LEU A 38 -11.751 -3.384 5.454 1.00 0.51 H new ATOM 0 HD13 LEU A 38 -11.565 -2.332 6.878 1.00 0.51 H new ATOM 0 HD21 LEU A 38 -8.512 -2.044 6.596 1.00 0.47 H new ATOM 0 HD22 LEU A 38 -9.322 -2.379 8.145 1.00 0.47 H new ATOM 0 HD23 LEU A 38 -8.042 -3.467 7.557 1.00 0.47 H new ATOM 409 N SER A 39 -11.857 -6.709 8.719 1.00 0.47 N ATOM 410 CA SER A 39 -12.676 -7.867 9.052 1.00 0.54 C ATOM 411 C SER A 39 -11.791 -9.082 9.331 1.00 0.48 C ATOM 412 O SER A 39 -10.564 -8.977 9.294 1.00 0.46 O ATOM 413 CB SER A 39 -13.654 -8.162 7.906 1.00 0.67 C ATOM 414 OG SER A 39 -14.588 -9.170 8.262 1.00 1.42 O ATOM 0 H SER A 39 -11.040 -6.921 8.146 1.00 0.47 H new ATOM 0 HA SER A 39 -13.249 -7.649 9.953 1.00 0.54 H new ATOM 0 HB2 SER A 39 -14.187 -7.250 7.638 1.00 0.67 H new ATOM 0 HB3 SER A 39 -13.097 -8.477 7.024 1.00 0.67 H new ATOM 0 HG SER A 39 -15.196 -9.332 7.511 1.00 1.42 H new ATOM 420 N SER A 40 -12.411 -10.227 9.591 1.00 0.60 N ATOM 421 CA SER A 40 -11.683 -11.441 9.937 1.00 0.61 C ATOM 422 C SER A 40 -10.836 -11.927 8.762 1.00 0.53 C ATOM 423 O SER A 40 -9.618 -12.082 8.886 1.00 0.50 O ATOM 424 CB SER A 40 -12.664 -12.533 10.371 1.00 0.77 C ATOM 425 OG SER A 40 -11.983 -13.706 10.782 1.00 1.63 O ATOM 0 H SER A 40 -13.424 -10.340 9.568 1.00 0.60 H new ATOM 0 HA SER A 40 -11.012 -11.214 10.765 1.00 0.61 H new ATOM 0 HB2 SER A 40 -13.283 -12.164 11.189 1.00 0.77 H new ATOM 0 HB3 SER A 40 -13.335 -12.770 9.546 1.00 0.77 H new ATOM 0 HG SER A 40 -12.635 -14.384 11.055 1.00 1.63 H new ATOM 431 N ASP A 41 -11.479 -12.147 7.617 1.00 0.57 N ATOM 432 CA ASP A 41 -10.779 -12.609 6.419 1.00 0.58 C ATOM 433 C ASP A 41 -9.782 -11.565 5.949 1.00 0.53 C ATOM 434 O ASP A 41 -8.773 -11.884 5.323 1.00 0.56 O ATOM 435 CB ASP A 41 -11.765 -12.922 5.289 1.00 0.71 C ATOM 436 CG ASP A 41 -12.554 -14.192 5.529 1.00 1.25 C ATOM 437 OD1 ASP A 41 -13.564 -14.142 6.262 1.00 2.20 O ATOM 438 OD2 ASP A 41 -12.170 -15.250 4.983 1.00 1.69 O ATOM 0 H ASP A 41 -12.483 -12.013 7.493 1.00 0.57 H new ATOM 0 HA ASP A 41 -10.246 -13.524 6.680 1.00 0.58 H new ATOM 0 HB2 ASP A 41 -12.456 -12.087 5.175 1.00 0.71 H new ATOM 0 HB3 ASP A 41 -11.218 -13.012 4.351 1.00 0.71 H new ATOM 443 N ALA A 42 -10.069 -10.315 6.265 1.00 0.51 N ATOM 444 CA ALA A 42 -9.186 -9.219 5.919 1.00 0.51 C ATOM 445 C ALA A 42 -7.939 -9.233 6.791 1.00 0.47 C ATOM 446 O ALA A 42 -6.854 -8.893 6.334 1.00 0.52 O ATOM 447 CB ALA A 42 -9.913 -7.902 6.070 1.00 0.54 C ATOM 0 H ALA A 42 -10.913 -10.034 6.764 1.00 0.51 H new ATOM 0 HA ALA A 42 -8.878 -9.339 4.880 1.00 0.51 H new ATOM 0 HB1 ALA A 42 -9.242 -7.084 5.808 1.00 0.54 H new ATOM 0 HB2 ALA A 42 -10.779 -7.887 5.409 1.00 0.54 H new ATOM 0 HB3 ALA A 42 -10.242 -7.785 7.102 1.00 0.54 H new ATOM 453 N GLN A 43 -8.111 -9.629 8.045 1.00 0.44 N ATOM 454 CA GLN A 43 -7.010 -9.702 8.998 1.00 0.45 C ATOM 455 C GLN A 43 -5.906 -10.623 8.502 1.00 0.45 C ATOM 456 O GLN A 43 -4.774 -10.193 8.282 1.00 0.48 O ATOM 457 CB GLN A 43 -7.520 -10.185 10.351 1.00 0.49 C ATOM 458 CG GLN A 43 -8.015 -9.063 11.249 1.00 0.82 C ATOM 459 CD GLN A 43 -8.630 -9.565 12.541 1.00 0.85 C ATOM 460 OE1 GLN A 43 -9.517 -8.926 13.106 1.00 1.56 O ATOM 461 NE2 GLN A 43 -8.165 -10.707 13.022 1.00 1.12 N ATOM 0 H GLN A 43 -9.014 -9.908 8.430 1.00 0.44 H new ATOM 0 HA GLN A 43 -6.592 -8.701 9.104 1.00 0.45 H new ATOM 0 HB2 GLN A 43 -8.330 -10.896 10.192 1.00 0.49 H new ATOM 0 HB3 GLN A 43 -6.720 -10.722 10.861 1.00 0.49 H new ATOM 0 HG2 GLN A 43 -7.183 -8.399 11.483 1.00 0.82 H new ATOM 0 HG3 GLN A 43 -8.753 -8.471 10.708 1.00 0.82 H new ATOM 0 HE21 GLN A 43 -7.429 -11.208 12.524 1.00 1.12 H new ATOM 0 HE22 GLN A 43 -8.543 -11.086 13.890 1.00 1.12 H new ATOM 470 N GLU A 44 -6.243 -11.891 8.332 1.00 0.49 N ATOM 471 CA GLU A 44 -5.301 -12.868 7.795 1.00 0.54 C ATOM 472 C GLU A 44 -4.708 -12.395 6.465 1.00 0.51 C ATOM 473 O GLU A 44 -3.536 -12.640 6.180 1.00 0.50 O ATOM 474 CB GLU A 44 -5.978 -14.231 7.629 1.00 0.68 C ATOM 475 CG GLU A 44 -7.273 -14.183 6.838 1.00 1.20 C ATOM 476 CD GLU A 44 -7.890 -15.550 6.649 1.00 1.65 C ATOM 477 OE1 GLU A 44 -8.520 -16.060 7.599 1.00 2.20 O ATOM 478 OE2 GLU A 44 -7.752 -16.123 5.551 1.00 2.36 O ATOM 0 H GLU A 44 -7.162 -12.271 8.557 1.00 0.49 H new ATOM 0 HA GLU A 44 -4.482 -12.971 8.507 1.00 0.54 H new ATOM 0 HB2 GLU A 44 -5.286 -14.911 7.133 1.00 0.68 H new ATOM 0 HB3 GLU A 44 -6.182 -14.647 8.616 1.00 0.68 H new ATOM 0 HG2 GLU A 44 -7.984 -13.535 7.351 1.00 1.20 H new ATOM 0 HG3 GLU A 44 -7.082 -13.737 5.862 1.00 1.20 H new ATOM 485 N SER A 45 -5.513 -11.695 5.667 1.00 0.54 N ATOM 486 CA SER A 45 -5.048 -11.156 4.396 1.00 0.59 C ATOM 487 C SER A 45 -4.010 -10.053 4.611 1.00 0.55 C ATOM 488 O SER A 45 -3.030 -9.974 3.873 1.00 0.58 O ATOM 489 CB SER A 45 -6.225 -10.628 3.574 1.00 0.71 C ATOM 490 OG SER A 45 -7.129 -11.673 3.252 1.00 1.04 O ATOM 0 H SER A 45 -6.489 -11.490 5.880 1.00 0.54 H new ATOM 0 HA SER A 45 -4.571 -11.965 3.843 1.00 0.59 H new ATOM 0 HB2 SER A 45 -6.746 -9.852 4.135 1.00 0.71 H new ATOM 0 HB3 SER A 45 -5.856 -10.167 2.658 1.00 0.71 H new ATOM 0 HG SER A 45 -7.864 -11.681 3.900 1.00 1.04 H new ATOM 496 N LEU A 46 -4.219 -9.210 5.626 1.00 0.56 N ATOM 497 CA LEU A 46 -3.260 -8.153 5.943 1.00 0.60 C ATOM 498 C LEU A 46 -1.921 -8.760 6.318 1.00 0.50 C ATOM 499 O LEU A 46 -0.889 -8.353 5.803 1.00 0.48 O ATOM 500 CB LEU A 46 -3.736 -7.268 7.103 1.00 0.74 C ATOM 501 CG LEU A 46 -5.019 -6.469 6.869 1.00 0.75 C ATOM 502 CD1 LEU A 46 -5.245 -5.467 7.991 1.00 1.28 C ATOM 503 CD2 LEU A 46 -4.980 -5.759 5.527 1.00 1.14 C ATOM 0 H LEU A 46 -5.036 -9.239 6.236 1.00 0.56 H new ATOM 0 HA LEU A 46 -3.165 -7.533 5.051 1.00 0.60 H new ATOM 0 HB2 LEU A 46 -3.883 -7.902 7.978 1.00 0.74 H new ATOM 0 HB3 LEU A 46 -2.938 -6.568 7.348 1.00 0.74 H new ATOM 0 HG LEU A 46 -5.852 -7.172 6.861 1.00 0.75 H new ATOM 0 HD11 LEU A 46 -6.163 -4.911 7.803 1.00 1.28 H new ATOM 0 HD12 LEU A 46 -5.330 -5.996 8.940 1.00 1.28 H new ATOM 0 HD13 LEU A 46 -4.404 -4.775 8.036 1.00 1.28 H new ATOM 0 HD21 LEU A 46 -5.904 -5.198 5.385 1.00 1.14 H new ATOM 0 HD22 LEU A 46 -4.132 -5.074 5.502 1.00 1.14 H new ATOM 0 HD23 LEU A 46 -4.876 -6.494 4.729 1.00 1.14 H new ATOM 515 N GLU A 47 -1.957 -9.744 7.207 1.00 0.49 N ATOM 516 CA GLU A 47 -0.743 -10.384 7.698 1.00 0.48 C ATOM 517 C GLU A 47 0.074 -10.960 6.542 1.00 0.43 C ATOM 518 O GLU A 47 1.293 -10.783 6.481 1.00 0.45 O ATOM 519 CB GLU A 47 -1.097 -11.479 8.706 1.00 0.55 C ATOM 520 CG GLU A 47 0.113 -12.141 9.341 1.00 0.81 C ATOM 521 CD GLU A 47 -0.265 -13.089 10.457 1.00 1.06 C ATOM 522 OE1 GLU A 47 -0.635 -14.246 10.167 1.00 1.76 O ATOM 523 OE2 GLU A 47 -0.197 -12.685 11.630 1.00 1.51 O ATOM 0 H GLU A 47 -2.819 -10.118 7.605 1.00 0.49 H new ATOM 0 HA GLU A 47 -0.133 -9.632 8.198 1.00 0.48 H new ATOM 0 HB2 GLU A 47 -1.719 -11.050 9.492 1.00 0.55 H new ATOM 0 HB3 GLU A 47 -1.696 -12.240 8.206 1.00 0.55 H new ATOM 0 HG2 GLU A 47 0.667 -12.687 8.577 1.00 0.81 H new ATOM 0 HG3 GLU A 47 0.780 -11.373 9.732 1.00 0.81 H new ATOM 530 N VAL A 48 -0.604 -11.629 5.616 1.00 0.41 N ATOM 531 CA VAL A 48 0.058 -12.179 4.441 1.00 0.42 C ATOM 532 C VAL A 48 0.576 -11.055 3.545 1.00 0.41 C ATOM 533 O VAL A 48 1.717 -11.092 3.087 1.00 0.43 O ATOM 534 CB VAL A 48 -0.885 -13.098 3.630 1.00 0.46 C ATOM 535 CG1 VAL A 48 -0.182 -13.643 2.396 1.00 0.49 C ATOM 536 CG2 VAL A 48 -1.388 -14.242 4.492 1.00 0.49 C ATOM 0 H VAL A 48 -1.608 -11.803 5.657 1.00 0.41 H new ATOM 0 HA VAL A 48 0.897 -12.779 4.793 1.00 0.42 H new ATOM 0 HB VAL A 48 -1.738 -12.502 3.306 1.00 0.46 H new ATOM 0 HG11 VAL A 48 -0.866 -14.286 1.842 1.00 0.49 H new ATOM 0 HG12 VAL A 48 0.132 -12.815 1.761 1.00 0.49 H new ATOM 0 HG13 VAL A 48 0.692 -14.219 2.700 1.00 0.49 H new ATOM 0 HG21 VAL A 48 -2.050 -14.877 3.903 1.00 0.49 H new ATOM 0 HG22 VAL A 48 -0.541 -14.830 4.847 1.00 0.49 H new ATOM 0 HG23 VAL A 48 -1.934 -13.841 5.346 1.00 0.49 H new ATOM 546 N ALA A 49 -0.262 -10.046 3.324 1.00 0.41 N ATOM 547 CA ALA A 49 0.100 -8.910 2.482 1.00 0.43 C ATOM 548 C ALA A 49 1.322 -8.180 3.029 1.00 0.43 C ATOM 549 O ALA A 49 2.205 -7.790 2.269 1.00 0.48 O ATOM 550 CB ALA A 49 -1.071 -7.948 2.352 1.00 0.44 C ATOM 0 H ALA A 49 -1.201 -9.992 3.719 1.00 0.41 H new ATOM 0 HA ALA A 49 0.352 -9.297 1.494 1.00 0.43 H new ATOM 0 HB1 ALA A 49 -0.783 -7.107 1.721 1.00 0.44 H new ATOM 0 HB2 ALA A 49 -1.919 -8.465 1.903 1.00 0.44 H new ATOM 0 HB3 ALA A 49 -1.352 -7.581 3.339 1.00 0.44 H new ATOM 556 N ILE A 50 1.365 -8.008 4.347 1.00 0.40 N ATOM 557 CA ILE A 50 2.496 -7.367 5.011 1.00 0.40 C ATOM 558 C ILE A 50 3.796 -8.088 4.665 1.00 0.38 C ATOM 559 O ILE A 50 4.779 -7.463 4.266 1.00 0.41 O ATOM 560 CB ILE A 50 2.310 -7.348 6.550 1.00 0.43 C ATOM 561 CG1 ILE A 50 1.140 -6.439 6.939 1.00 0.53 C ATOM 562 CG2 ILE A 50 3.588 -6.893 7.245 1.00 0.47 C ATOM 563 CD1 ILE A 50 0.803 -6.473 8.416 1.00 0.61 C ATOM 0 H ILE A 50 0.623 -8.306 4.981 1.00 0.40 H new ATOM 0 HA ILE A 50 2.545 -6.338 4.655 1.00 0.40 H new ATOM 0 HB ILE A 50 2.085 -8.363 6.876 1.00 0.43 H new ATOM 0 HG12 ILE A 50 1.378 -5.414 6.654 1.00 0.53 H new ATOM 0 HG13 ILE A 50 0.259 -6.732 6.368 1.00 0.53 H new ATOM 0 HG21 ILE A 50 3.433 -6.888 8.324 1.00 0.47 H new ATOM 0 HG22 ILE A 50 4.400 -7.577 6.998 1.00 0.47 H new ATOM 0 HG23 ILE A 50 3.846 -5.888 6.910 1.00 0.47 H new ATOM 0 HD11 ILE A 50 -0.035 -5.804 8.613 1.00 0.61 H new ATOM 0 HD12 ILE A 50 0.532 -7.489 8.704 1.00 0.61 H new ATOM 0 HD13 ILE A 50 1.669 -6.150 8.994 1.00 0.61 H new ATOM 575 N GLN A 51 3.780 -9.410 4.790 1.00 0.39 N ATOM 576 CA GLN A 51 4.960 -10.214 4.508 1.00 0.43 C ATOM 577 C GLN A 51 5.296 -10.184 3.018 1.00 0.43 C ATOM 578 O GLN A 51 6.468 -10.142 2.637 1.00 0.47 O ATOM 579 CB GLN A 51 4.746 -11.655 4.975 1.00 0.50 C ATOM 580 CG GLN A 51 4.480 -11.781 6.468 1.00 0.78 C ATOM 581 CD GLN A 51 5.585 -11.179 7.314 1.00 1.02 C ATOM 582 OE1 GLN A 51 6.560 -11.848 7.654 1.00 1.84 O ATOM 583 NE2 GLN A 51 5.439 -9.912 7.667 1.00 1.35 N ATOM 0 H GLN A 51 2.964 -9.946 5.084 1.00 0.39 H new ATOM 0 HA GLN A 51 5.801 -9.788 5.056 1.00 0.43 H new ATOM 0 HB2 GLN A 51 3.907 -12.084 4.428 1.00 0.50 H new ATOM 0 HB3 GLN A 51 5.627 -12.245 4.721 1.00 0.50 H new ATOM 0 HG2 GLN A 51 3.537 -11.290 6.707 1.00 0.78 H new ATOM 0 HG3 GLN A 51 4.365 -12.834 6.724 1.00 0.78 H new ATOM 0 HE21 GLN A 51 4.616 -9.390 7.365 1.00 1.35 H new ATOM 0 HE22 GLN A 51 6.149 -9.457 8.241 1.00 1.35 H new ATOM 592 N CYS A 52 4.264 -10.191 2.181 1.00 0.45 N ATOM 593 CA CYS A 52 4.448 -10.140 0.736 1.00 0.53 C ATOM 594 C CYS A 52 5.083 -8.819 0.315 1.00 0.53 C ATOM 595 O CYS A 52 6.046 -8.805 -0.446 1.00 0.60 O ATOM 596 CB CYS A 52 3.114 -10.335 0.015 1.00 0.59 C ATOM 597 SG CYS A 52 2.331 -11.932 0.330 1.00 0.69 S ATOM 0 H CYS A 52 3.290 -10.232 2.480 1.00 0.45 H new ATOM 0 HA CYS A 52 5.119 -10.951 0.455 1.00 0.53 H new ATOM 0 HB2 CYS A 52 2.431 -9.542 0.317 1.00 0.59 H new ATOM 0 HB3 CYS A 52 3.274 -10.226 -1.058 1.00 0.59 H new ATOM 0 HG CYS A 52 2.062 -12.041 1.597 1.00 0.69 H new ATOM 603 N LEU A 53 4.550 -7.712 0.826 1.00 0.50 N ATOM 604 CA LEU A 53 5.066 -6.389 0.488 1.00 0.54 C ATOM 605 C LEU A 53 6.475 -6.202 1.041 1.00 0.51 C ATOM 606 O LEU A 53 7.296 -5.501 0.446 1.00 0.58 O ATOM 607 CB LEU A 53 4.138 -5.292 1.020 1.00 0.63 C ATOM 608 CG LEU A 53 2.723 -5.287 0.431 1.00 0.54 C ATOM 609 CD1 LEU A 53 1.889 -4.182 1.058 1.00 0.76 C ATOM 610 CD2 LEU A 53 2.771 -5.123 -1.083 1.00 0.61 C ATOM 0 H LEU A 53 3.763 -7.705 1.474 1.00 0.50 H new ATOM 0 HA LEU A 53 5.107 -6.311 -0.598 1.00 0.54 H new ATOM 0 HB2 LEU A 53 4.063 -5.396 2.102 1.00 0.63 H new ATOM 0 HB3 LEU A 53 4.598 -4.324 0.825 1.00 0.63 H new ATOM 0 HG LEU A 53 2.255 -6.245 0.658 1.00 0.54 H new ATOM 0 HD11 LEU A 53 0.888 -4.193 0.628 1.00 0.76 H new ATOM 0 HD12 LEU A 53 1.824 -4.342 2.134 1.00 0.76 H new ATOM 0 HD13 LEU A 53 2.357 -3.217 0.862 1.00 0.76 H new ATOM 0 HD21 LEU A 53 1.756 -5.122 -1.481 1.00 0.61 H new ATOM 0 HD22 LEU A 53 3.259 -4.181 -1.332 1.00 0.61 H new ATOM 0 HD23 LEU A 53 3.332 -5.949 -1.521 1.00 0.61 H new ATOM 622 N GLU A 54 6.745 -6.843 2.173 1.00 0.47 N ATOM 623 CA GLU A 54 8.069 -6.810 2.779 1.00 0.51 C ATOM 624 C GLU A 54 9.109 -7.359 1.805 1.00 0.56 C ATOM 625 O GLU A 54 10.089 -6.686 1.481 1.00 0.65 O ATOM 626 CB GLU A 54 8.074 -7.628 4.073 1.00 0.56 C ATOM 627 CG GLU A 54 9.404 -7.606 4.805 1.00 0.73 C ATOM 628 CD GLU A 54 9.419 -8.526 6.003 1.00 1.05 C ATOM 629 OE1 GLU A 54 8.967 -8.111 7.089 1.00 1.62 O ATOM 630 OE2 GLU A 54 9.890 -9.674 5.869 1.00 1.65 O ATOM 0 H GLU A 54 6.060 -7.394 2.691 1.00 0.47 H new ATOM 0 HA GLU A 54 8.322 -5.776 3.014 1.00 0.51 H new ATOM 0 HB2 GLU A 54 7.298 -7.246 4.737 1.00 0.56 H new ATOM 0 HB3 GLU A 54 7.815 -8.661 3.840 1.00 0.56 H new ATOM 0 HG2 GLU A 54 10.198 -7.897 4.118 1.00 0.73 H new ATOM 0 HG3 GLU A 54 9.620 -6.588 5.130 1.00 0.73 H new ATOM 637 N THR A 55 8.878 -8.574 1.325 1.00 0.61 N ATOM 638 CA THR A 55 9.775 -9.209 0.372 1.00 0.78 C ATOM 639 C THR A 55 9.706 -8.517 -0.992 1.00 0.83 C ATOM 640 O THR A 55 10.691 -8.469 -1.728 1.00 0.98 O ATOM 641 CB THR A 55 9.429 -10.703 0.220 1.00 0.95 C ATOM 642 OG1 THR A 55 9.441 -11.326 1.512 1.00 1.00 O ATOM 643 CG2 THR A 55 10.417 -11.416 -0.696 1.00 1.16 C ATOM 0 H THR A 55 8.071 -9.142 1.583 1.00 0.61 H new ATOM 0 HA THR A 55 10.791 -9.116 0.755 1.00 0.78 H new ATOM 0 HB THR A 55 8.438 -10.779 -0.228 1.00 0.95 H new ATOM 0 HG1 THR A 55 9.220 -12.276 1.419 1.00 1.00 H new ATOM 0 HG21 THR A 55 10.142 -12.467 -0.780 1.00 1.16 H new ATOM 0 HG22 THR A 55 10.395 -10.955 -1.684 1.00 1.16 H new ATOM 0 HG23 THR A 55 11.421 -11.336 -0.280 1.00 1.16 H new ATOM 651 N ALA A 56 8.540 -7.964 -1.306 1.00 0.77 N ATOM 652 CA ALA A 56 8.317 -7.296 -2.582 1.00 0.88 C ATOM 653 C ALA A 56 9.266 -6.121 -2.777 1.00 0.88 C ATOM 654 O ALA A 56 10.075 -6.110 -3.704 1.00 1.15 O ATOM 655 CB ALA A 56 6.880 -6.821 -2.683 1.00 0.90 C ATOM 0 H ALA A 56 7.728 -7.966 -0.688 1.00 0.77 H new ATOM 0 HA ALA A 56 8.515 -8.022 -3.371 1.00 0.88 H new ATOM 0 HB1 ALA A 56 6.728 -6.324 -3.641 1.00 0.90 H new ATOM 0 HB2 ALA A 56 6.208 -7.676 -2.607 1.00 0.90 H new ATOM 0 HB3 ALA A 56 6.670 -6.121 -1.874 1.00 0.90 H new ATOM 661 N PHE A 57 9.173 -5.136 -1.901 1.00 0.76 N ATOM 662 CA PHE A 57 9.999 -3.952 -2.008 1.00 1.05 C ATOM 663 C PHE A 57 11.396 -4.213 -1.459 1.00 1.56 C ATOM 664 O PHE A 57 12.317 -3.421 -1.660 1.00 2.05 O ATOM 665 CB PHE A 57 9.350 -2.794 -1.259 1.00 1.04 C ATOM 666 CG PHE A 57 8.050 -2.324 -1.849 1.00 0.93 C ATOM 667 CD1 PHE A 57 6.855 -2.939 -1.509 1.00 1.47 C ATOM 668 CD2 PHE A 57 8.020 -1.253 -2.726 1.00 1.50 C ATOM 669 CE1 PHE A 57 5.657 -2.492 -2.030 1.00 1.46 C ATOM 670 CE2 PHE A 57 6.825 -0.804 -3.254 1.00 1.50 C ATOM 671 CZ PHE A 57 5.641 -1.423 -2.904 1.00 0.92 C ATOM 0 H PHE A 57 8.532 -5.135 -1.108 1.00 0.76 H new ATOM 0 HA PHE A 57 10.089 -3.691 -3.062 1.00 1.05 H new ATOM 0 HB2 PHE A 57 9.178 -3.096 -0.226 1.00 1.04 H new ATOM 0 HB3 PHE A 57 10.048 -1.957 -1.234 1.00 1.04 H new ATOM 0 HD1 PHE A 57 6.861 -3.778 -0.829 1.00 1.47 H new ATOM 0 HD2 PHE A 57 8.942 -0.763 -3.001 1.00 1.50 H new ATOM 0 HE1 PHE A 57 4.733 -2.978 -1.754 1.00 1.46 H new ATOM 0 HE2 PHE A 57 6.817 0.030 -3.940 1.00 1.50 H new ATOM 0 HZ PHE A 57 4.705 -1.072 -3.313 1.00 0.92 H new ATOM 681 N GLY A 58 11.540 -5.342 -0.772 1.00 1.71 N ATOM 682 CA GLY A 58 12.804 -5.690 -0.161 1.00 2.29 C ATOM 683 C GLY A 58 13.074 -4.849 1.064 1.00 2.05 C ATOM 684 O GLY A 58 14.207 -4.440 1.314 1.00 2.60 O ATOM 0 H GLY A 58 10.796 -6.025 -0.629 1.00 1.71 H new ATOM 0 HA2 GLY A 58 12.799 -6.745 0.114 1.00 2.29 H new ATOM 0 HA3 GLY A 58 13.609 -5.553 -0.883 1.00 2.29 H new ATOM 688 N VAL A 59 12.023 -4.593 1.828 1.00 1.35 N ATOM 689 CA VAL A 59 12.112 -3.708 2.975 1.00 1.13 C ATOM 690 C VAL A 59 12.203 -4.489 4.273 1.00 1.04 C ATOM 691 O VAL A 59 11.787 -5.646 4.346 1.00 1.22 O ATOM 692 CB VAL A 59 10.911 -2.740 3.045 1.00 0.93 C ATOM 693 CG1 VAL A 59 10.907 -1.825 1.840 1.00 1.23 C ATOM 694 CG2 VAL A 59 9.593 -3.495 3.134 1.00 1.00 C ATOM 0 H VAL A 59 11.096 -4.988 1.672 1.00 1.35 H new ATOM 0 HA VAL A 59 13.024 -3.126 2.846 1.00 1.13 H new ATOM 0 HB VAL A 59 11.016 -2.141 3.950 1.00 0.93 H new ATOM 0 HG11 VAL A 59 10.056 -1.147 1.901 1.00 1.23 H new ATOM 0 HG12 VAL A 59 11.831 -1.247 1.819 1.00 1.23 H new ATOM 0 HG13 VAL A 59 10.832 -2.421 0.931 1.00 1.23 H new ATOM 0 HG21 VAL A 59 8.769 -2.784 3.182 1.00 1.00 H new ATOM 0 HG22 VAL A 59 9.476 -4.128 2.254 1.00 1.00 H new ATOM 0 HG23 VAL A 59 9.589 -4.116 4.030 1.00 1.00 H new ATOM 704 N THR A 60 12.768 -3.855 5.282 1.00 1.18 N ATOM 705 CA THR A 60 12.883 -4.445 6.601 1.00 1.30 C ATOM 706 C THR A 60 12.638 -3.380 7.665 1.00 1.16 C ATOM 707 O THR A 60 12.241 -2.260 7.342 1.00 1.15 O ATOM 708 CB THR A 60 14.277 -5.073 6.819 1.00 1.94 C ATOM 709 OG1 THR A 60 15.297 -4.120 6.491 1.00 2.24 O ATOM 710 CG2 THR A 60 14.462 -6.328 5.979 1.00 2.38 C ATOM 0 H THR A 60 13.160 -2.916 5.210 1.00 1.18 H new ATOM 0 HA THR A 60 12.135 -5.234 6.681 1.00 1.30 H new ATOM 0 HB THR A 60 14.356 -5.354 7.869 1.00 1.94 H new ATOM 0 HG1 THR A 60 16.169 -4.566 6.478 1.00 2.24 H new ATOM 0 HG21 THR A 60 15.454 -6.743 6.158 1.00 2.38 H new ATOM 0 HG22 THR A 60 13.706 -7.064 6.253 1.00 2.38 H new ATOM 0 HG23 THR A 60 14.359 -6.078 4.923 1.00 2.38 H new ATOM 718 N VAL A 61 12.890 -3.713 8.921 1.00 1.41 N ATOM 719 CA VAL A 61 12.750 -2.751 10.008 1.00 1.59 C ATOM 720 C VAL A 61 13.833 -1.661 9.912 1.00 1.83 C ATOM 721 O VAL A 61 13.782 -0.639 10.602 1.00 2.11 O ATOM 722 CB VAL A 61 12.799 -3.463 11.379 1.00 1.81 C ATOM 723 CG1 VAL A 61 14.159 -4.102 11.616 1.00 2.21 C ATOM 724 CG2 VAL A 61 12.441 -2.513 12.512 1.00 1.95 C ATOM 0 H VAL A 61 13.193 -4.642 9.215 1.00 1.41 H new ATOM 0 HA VAL A 61 11.777 -2.268 9.915 1.00 1.59 H new ATOM 0 HB VAL A 61 12.051 -4.256 11.363 1.00 1.81 H new ATOM 0 HG11 VAL A 61 14.165 -4.596 12.588 1.00 2.21 H new ATOM 0 HG12 VAL A 61 14.357 -4.836 10.835 1.00 2.21 H new ATOM 0 HG13 VAL A 61 14.931 -3.333 11.595 1.00 2.21 H new ATOM 0 HG21 VAL A 61 12.485 -3.046 13.462 1.00 1.95 H new ATOM 0 HG22 VAL A 61 13.148 -1.683 12.528 1.00 1.95 H new ATOM 0 HG23 VAL A 61 11.433 -2.128 12.359 1.00 1.95 H new ATOM 734 N GLU A 62 14.798 -1.863 9.021 1.00 1.89 N ATOM 735 CA GLU A 62 15.814 -0.853 8.758 1.00 2.16 C ATOM 736 C GLU A 62 15.162 0.414 8.209 1.00 1.64 C ATOM 737 O GLU A 62 15.658 1.529 8.408 1.00 1.65 O ATOM 738 CB GLU A 62 16.850 -1.382 7.767 1.00 2.87 C ATOM 739 CG GLU A 62 17.573 -2.625 8.254 1.00 3.13 C ATOM 740 CD GLU A 62 18.278 -2.403 9.573 1.00 3.57 C ATOM 741 OE1 GLU A 62 19.398 -1.850 9.565 1.00 3.98 O ATOM 742 OE2 GLU A 62 17.715 -2.769 10.624 1.00 4.01 O ATOM 0 H GLU A 62 14.897 -2.716 8.470 1.00 1.89 H new ATOM 0 HA GLU A 62 16.319 -0.616 9.694 1.00 2.16 H new ATOM 0 HB2 GLU A 62 16.356 -1.605 6.821 1.00 2.87 H new ATOM 0 HB3 GLU A 62 17.582 -0.600 7.567 1.00 2.87 H new ATOM 0 HG2 GLU A 62 16.857 -3.440 8.361 1.00 3.13 H new ATOM 0 HG3 GLU A 62 18.301 -2.936 7.504 1.00 3.13 H new ATOM 749 N ASP A 63 14.027 0.234 7.536 1.00 1.38 N ATOM 750 CA ASP A 63 13.271 1.358 7.003 1.00 1.61 C ATOM 751 C ASP A 63 12.656 2.151 8.155 1.00 1.60 C ATOM 752 O ASP A 63 12.378 3.337 8.032 1.00 1.95 O ATOM 753 CB ASP A 63 12.177 0.877 6.045 1.00 1.89 C ATOM 754 CG ASP A 63 11.709 1.974 5.100 1.00 2.88 C ATOM 755 OD1 ASP A 63 10.872 2.802 5.503 1.00 3.62 O ATOM 756 OD2 ASP A 63 12.191 2.008 3.946 1.00 3.35 O ATOM 0 H ASP A 63 13.614 -0.680 7.349 1.00 1.38 H new ATOM 0 HA ASP A 63 13.949 2.001 6.442 1.00 1.61 H new ATOM 0 HB2 ASP A 63 12.552 0.035 5.463 1.00 1.89 H new ATOM 0 HB3 ASP A 63 11.328 0.512 6.622 1.00 1.89 H new ATOM 761 N SER A 64 12.487 1.484 9.295 1.00 1.54 N ATOM 762 CA SER A 64 11.948 2.122 10.488 1.00 1.81 C ATOM 763 C SER A 64 12.969 3.094 11.065 1.00 1.74 C ATOM 764 O SER A 64 12.612 4.117 11.652 1.00 1.93 O ATOM 765 CB SER A 64 11.573 1.072 11.539 1.00 2.41 C ATOM 766 OG SER A 64 10.761 1.629 12.559 1.00 2.91 O ATOM 0 H SER A 64 12.718 0.498 9.415 1.00 1.54 H new ATOM 0 HA SER A 64 11.048 2.671 10.210 1.00 1.81 H new ATOM 0 HB2 SER A 64 11.044 0.248 11.060 1.00 2.41 H new ATOM 0 HB3 SER A 64 12.479 0.656 11.979 1.00 2.41 H new ATOM 0 HG SER A 64 9.969 2.043 12.157 1.00 2.91 H new ATOM 772 N ASP A 65 14.245 2.768 10.898 1.00 1.69 N ATOM 773 CA ASP A 65 15.316 3.658 11.337 1.00 2.03 C ATOM 774 C ASP A 65 15.353 4.923 10.487 1.00 1.90 C ATOM 775 O ASP A 65 15.766 5.983 10.954 1.00 2.28 O ATOM 776 CB ASP A 65 16.673 2.958 11.290 1.00 2.26 C ATOM 777 CG ASP A 65 16.816 1.890 12.354 1.00 2.89 C ATOM 778 OD1 ASP A 65 16.948 2.243 13.547 1.00 3.35 O ATOM 779 OD2 ASP A 65 16.813 0.695 12.002 1.00 3.46 O ATOM 0 H ASP A 65 14.563 1.901 10.465 1.00 1.69 H new ATOM 0 HA ASP A 65 15.108 3.935 12.371 1.00 2.03 H new ATOM 0 HB2 ASP A 65 16.811 2.507 10.307 1.00 2.26 H new ATOM 0 HB3 ASP A 65 17.464 3.698 11.415 1.00 2.26 H new ATOM 784 N LEU A 66 14.924 4.805 9.237 1.00 1.52 N ATOM 785 CA LEU A 66 14.836 5.964 8.349 1.00 1.61 C ATOM 786 C LEU A 66 13.381 6.389 8.148 1.00 1.45 C ATOM 787 O LEU A 66 13.043 7.044 7.158 1.00 1.72 O ATOM 788 CB LEU A 66 15.506 5.658 6.999 1.00 1.77 C ATOM 789 CG LEU A 66 15.011 4.400 6.281 1.00 1.59 C ATOM 790 CD1 LEU A 66 13.833 4.712 5.372 1.00 1.87 C ATOM 791 CD2 LEU A 66 16.133 3.762 5.485 1.00 1.57 C ATOM 0 H LEU A 66 14.632 3.924 8.814 1.00 1.52 H new ATOM 0 HA LEU A 66 15.366 6.794 8.817 1.00 1.61 H new ATOM 0 HB2 LEU A 66 15.358 6.513 6.339 1.00 1.77 H new ATOM 0 HB3 LEU A 66 16.580 5.563 7.161 1.00 1.77 H new ATOM 0 HG LEU A 66 14.676 3.695 7.041 1.00 1.59 H new ATOM 0 HD11 LEU A 66 13.504 3.799 4.876 1.00 1.87 H new ATOM 0 HD12 LEU A 66 13.014 5.118 5.965 1.00 1.87 H new ATOM 0 HD13 LEU A 66 14.136 5.443 4.622 1.00 1.87 H new ATOM 0 HD21 LEU A 66 15.761 2.869 4.982 1.00 1.57 H new ATOM 0 HD22 LEU A 66 16.500 4.470 4.742 1.00 1.57 H new ATOM 0 HD23 LEU A 66 16.946 3.487 6.158 1.00 1.57 H new ATOM 803 N ALA A 67 12.532 6.023 9.102 1.00 1.30 N ATOM 804 CA ALA A 67 11.099 6.273 9.007 1.00 1.26 C ATOM 805 C ALA A 67 10.779 7.758 8.957 1.00 1.27 C ATOM 806 O ALA A 67 11.449 8.578 9.589 1.00 1.53 O ATOM 807 CB ALA A 67 10.382 5.641 10.182 1.00 1.48 C ATOM 0 H ALA A 67 12.816 5.547 9.958 1.00 1.30 H new ATOM 0 HA ALA A 67 10.754 5.825 8.075 1.00 1.26 H new ATOM 0 HB1 ALA A 67 9.312 5.833 10.102 1.00 1.48 H new ATOM 0 HB2 ALA A 67 10.558 4.565 10.180 1.00 1.48 H new ATOM 0 HB3 ALA A 67 10.759 6.069 11.111 1.00 1.48 H new ATOM 813 N LEU A 68 9.745 8.088 8.198 1.00 1.15 N ATOM 814 CA LEU A 68 9.245 9.449 8.119 1.00 1.28 C ATOM 815 C LEU A 68 8.524 9.811 9.416 1.00 1.55 C ATOM 816 O LEU A 68 8.054 8.918 10.125 1.00 1.55 O ATOM 817 CB LEU A 68 8.309 9.580 6.914 1.00 1.24 C ATOM 818 CG LEU A 68 8.997 9.444 5.553 1.00 1.18 C ATOM 819 CD1 LEU A 68 7.972 9.356 4.436 1.00 1.20 C ATOM 820 CD2 LEU A 68 9.938 10.616 5.312 1.00 1.18 C ATOM 0 H LEU A 68 9.231 7.421 7.622 1.00 1.15 H new ATOM 0 HA LEU A 68 10.077 10.141 7.988 1.00 1.28 H new ATOM 0 HB2 LEU A 68 7.531 8.820 6.991 1.00 1.24 H new ATOM 0 HB3 LEU A 68 7.813 10.549 6.960 1.00 1.24 H new ATOM 0 HG LEU A 68 9.579 8.523 5.559 1.00 1.18 H new ATOM 0 HD11 LEU A 68 8.484 9.260 3.479 1.00 1.20 H new ATOM 0 HD12 LEU A 68 7.334 8.486 4.595 1.00 1.20 H new ATOM 0 HD13 LEU A 68 7.361 10.258 4.431 1.00 1.20 H new ATOM 0 HD21 LEU A 68 10.418 10.503 4.340 1.00 1.18 H new ATOM 0 HD22 LEU A 68 9.372 11.547 5.331 1.00 1.18 H new ATOM 0 HD23 LEU A 68 10.699 10.638 6.092 1.00 1.18 H new ATOM 832 N PRO A 69 8.441 11.114 9.747 1.00 1.93 N ATOM 833 CA PRO A 69 7.898 11.601 11.024 1.00 2.35 C ATOM 834 C PRO A 69 6.594 10.921 11.435 1.00 2.24 C ATOM 835 O PRO A 69 6.452 10.475 12.574 1.00 2.61 O ATOM 836 CB PRO A 69 7.661 13.100 10.775 1.00 2.74 C ATOM 837 CG PRO A 69 7.925 13.318 9.321 1.00 2.56 C ATOM 838 CD PRO A 69 8.873 12.234 8.907 1.00 2.06 C ATOM 0 HA PRO A 69 8.585 11.388 11.843 1.00 2.35 H new ATOM 0 HB2 PRO A 69 6.641 13.383 11.034 1.00 2.74 H new ATOM 0 HB3 PRO A 69 8.326 13.708 11.389 1.00 2.74 H new ATOM 0 HG2 PRO A 69 7.001 13.269 8.745 1.00 2.56 H new ATOM 0 HG3 PRO A 69 8.358 14.303 9.146 1.00 2.56 H new ATOM 0 HD2 PRO A 69 8.790 12.003 7.845 1.00 2.06 H new ATOM 0 HD3 PRO A 69 9.912 12.507 9.094 1.00 2.06 H new ATOM 846 N GLN A 70 5.652 10.834 10.509 1.00 1.83 N ATOM 847 CA GLN A 70 4.354 10.248 10.805 1.00 1.81 C ATOM 848 C GLN A 70 4.095 9.052 9.905 1.00 1.42 C ATOM 849 O GLN A 70 4.838 8.813 8.952 1.00 1.30 O ATOM 850 CB GLN A 70 3.243 11.285 10.620 1.00 1.92 C ATOM 851 CG GLN A 70 3.023 11.704 9.173 1.00 1.65 C ATOM 852 CD GLN A 70 1.975 12.787 9.041 1.00 2.17 C ATOM 853 OE1 GLN A 70 2.290 13.977 9.052 1.00 2.65 O ATOM 854 NE2 GLN A 70 0.722 12.384 8.925 1.00 2.75 N ATOM 0 H GLN A 70 5.761 11.161 9.549 1.00 1.83 H new ATOM 0 HA GLN A 70 4.358 9.916 11.843 1.00 1.81 H new ATOM 0 HB2 GLN A 70 2.312 10.880 11.016 1.00 1.92 H new ATOM 0 HB3 GLN A 70 3.483 12.169 11.211 1.00 1.92 H new ATOM 0 HG2 GLN A 70 3.964 12.059 8.753 1.00 1.65 H new ATOM 0 HG3 GLN A 70 2.720 10.836 8.588 1.00 1.65 H new ATOM 0 HE21 GLN A 70 0.505 11.387 8.920 1.00 2.75 H new ATOM 0 HE22 GLN A 70 -0.028 13.070 8.840 1.00 2.75 H new ATOM 863 N THR A 71 3.052 8.302 10.216 1.00 1.36 N ATOM 864 CA THR A 71 2.632 7.199 9.376 1.00 1.13 C ATOM 865 C THR A 71 2.054 7.727 8.069 1.00 0.86 C ATOM 866 O THR A 71 1.344 8.737 8.044 1.00 0.83 O ATOM 867 CB THR A 71 1.595 6.325 10.098 1.00 1.23 C ATOM 868 OG1 THR A 71 0.754 7.147 10.916 1.00 1.53 O ATOM 869 CG2 THR A 71 2.274 5.267 10.954 1.00 1.55 C ATOM 0 H THR A 71 2.479 8.440 11.049 1.00 1.36 H new ATOM 0 HA THR A 71 3.505 6.584 9.157 1.00 1.13 H new ATOM 0 HB THR A 71 0.990 5.819 9.346 1.00 1.23 H new ATOM 0 HG1 THR A 71 0.093 6.586 11.373 1.00 1.53 H new ATOM 0 HG21 THR A 71 1.517 4.663 11.454 1.00 1.55 H new ATOM 0 HG22 THR A 71 2.890 4.627 10.322 1.00 1.55 H new ATOM 0 HG23 THR A 71 2.903 5.752 11.701 1.00 1.55 H new ATOM 877 N LEU A 72 2.375 7.046 6.983 1.00 0.80 N ATOM 878 CA LEU A 72 2.039 7.529 5.656 1.00 0.65 C ATOM 879 C LEU A 72 0.593 7.260 5.244 1.00 0.65 C ATOM 880 O LEU A 72 0.028 8.084 4.541 1.00 0.66 O ATOM 881 CB LEU A 72 3.022 6.992 4.617 1.00 0.78 C ATOM 882 CG LEU A 72 4.408 7.651 4.654 1.00 0.97 C ATOM 883 CD1 LEU A 72 4.270 9.164 4.627 1.00 1.47 C ATOM 884 CD2 LEU A 72 5.202 7.219 5.878 1.00 1.79 C ATOM 0 H LEU A 72 2.870 6.154 6.995 1.00 0.80 H new ATOM 0 HA LEU A 72 2.130 8.614 5.701 1.00 0.65 H new ATOM 0 HB2 LEU A 72 3.139 5.919 4.767 1.00 0.78 H new ATOM 0 HB3 LEU A 72 2.594 7.130 3.624 1.00 0.78 H new ATOM 0 HG LEU A 72 4.955 7.323 3.770 1.00 0.97 H new ATOM 0 HD11 LEU A 72 5.260 9.620 4.654 1.00 1.47 H new ATOM 0 HD12 LEU A 72 3.756 9.466 3.715 1.00 1.47 H new ATOM 0 HD13 LEU A 72 3.696 9.492 5.493 1.00 1.47 H new ATOM 0 HD21 LEU A 72 6.177 7.706 5.870 1.00 1.79 H new ATOM 0 HD22 LEU A 72 4.662 7.504 6.781 1.00 1.79 H new ATOM 0 HD23 LEU A 72 5.336 6.137 5.861 1.00 1.79 H new ATOM 896 N PRO A 73 -0.044 6.127 5.627 1.00 0.75 N ATOM 897 CA PRO A 73 -1.480 5.932 5.374 1.00 0.84 C ATOM 898 C PRO A 73 -2.322 7.139 5.795 1.00 0.80 C ATOM 899 O PRO A 73 -3.301 7.482 5.131 1.00 0.82 O ATOM 900 CB PRO A 73 -1.816 4.706 6.214 1.00 1.03 C ATOM 901 CG PRO A 73 -0.557 3.916 6.202 1.00 1.07 C ATOM 902 CD PRO A 73 0.557 4.927 6.251 1.00 0.84 C ATOM 0 HA PRO A 73 -1.698 5.808 4.313 1.00 0.84 H new ATOM 0 HB2 PRO A 73 -2.106 4.982 7.228 1.00 1.03 H new ATOM 0 HB3 PRO A 73 -2.646 4.143 5.787 1.00 1.03 H new ATOM 0 HG2 PRO A 73 -0.510 3.240 7.056 1.00 1.07 H new ATOM 0 HG3 PRO A 73 -0.489 3.301 5.305 1.00 1.07 H new ATOM 0 HD2 PRO A 73 0.877 5.123 7.274 1.00 0.84 H new ATOM 0 HD3 PRO A 73 1.435 4.585 5.702 1.00 0.84 H new ATOM 910 N GLU A 74 -1.920 7.794 6.883 1.00 0.78 N ATOM 911 CA GLU A 74 -2.590 9.004 7.345 1.00 0.78 C ATOM 912 C GLU A 74 -2.372 10.142 6.346 1.00 0.64 C ATOM 913 O GLU A 74 -3.303 10.877 6.008 1.00 0.64 O ATOM 914 CB GLU A 74 -2.067 9.403 8.725 1.00 0.87 C ATOM 915 CG GLU A 74 -2.861 10.521 9.377 1.00 1.22 C ATOM 916 CD GLU A 74 -2.320 10.894 10.739 1.00 1.48 C ATOM 917 OE1 GLU A 74 -2.505 10.110 11.698 1.00 1.67 O ATOM 918 OE2 GLU A 74 -1.700 11.968 10.861 1.00 2.28 O ATOM 0 H GLU A 74 -1.131 7.504 7.461 1.00 0.78 H new ATOM 0 HA GLU A 74 -3.659 8.806 7.421 1.00 0.78 H new ATOM 0 HB2 GLU A 74 -2.083 8.529 9.377 1.00 0.87 H new ATOM 0 HB3 GLU A 74 -1.026 9.713 8.634 1.00 0.87 H new ATOM 0 HG2 GLU A 74 -2.846 11.398 8.730 1.00 1.22 H new ATOM 0 HG3 GLU A 74 -3.902 10.214 9.474 1.00 1.22 H new ATOM 925 N ILE A 75 -1.133 10.273 5.876 1.00 0.58 N ATOM 926 CA ILE A 75 -0.802 11.227 4.819 1.00 0.53 C ATOM 927 C ILE A 75 -1.629 10.939 3.575 1.00 0.49 C ATOM 928 O ILE A 75 -2.124 11.852 2.917 1.00 0.53 O ATOM 929 CB ILE A 75 0.704 11.172 4.452 1.00 0.60 C ATOM 930 CG1 ILE A 75 1.544 11.837 5.539 1.00 0.73 C ATOM 931 CG2 ILE A 75 0.975 11.825 3.097 1.00 0.68 C ATOM 932 CD1 ILE A 75 1.304 13.324 5.648 1.00 1.38 C ATOM 0 H ILE A 75 -0.339 9.728 6.212 1.00 0.58 H new ATOM 0 HA ILE A 75 -1.030 12.224 5.195 1.00 0.53 H new ATOM 0 HB ILE A 75 0.988 10.122 4.379 1.00 0.60 H new ATOM 0 HG12 ILE A 75 1.323 11.368 6.498 1.00 0.73 H new ATOM 0 HG13 ILE A 75 2.600 11.660 5.333 1.00 0.73 H new ATOM 0 HG21 ILE A 75 2.040 11.768 2.872 1.00 0.68 H new ATOM 0 HG22 ILE A 75 0.412 11.303 2.323 1.00 0.68 H new ATOM 0 HG23 ILE A 75 0.666 12.870 3.128 1.00 0.68 H new ATOM 0 HD11 ILE A 75 1.931 13.737 6.438 1.00 1.38 H new ATOM 0 HD12 ILE A 75 1.552 13.803 4.701 1.00 1.38 H new ATOM 0 HD13 ILE A 75 0.256 13.507 5.884 1.00 1.38 H new ATOM 944 N PHE A 76 -1.788 9.660 3.272 1.00 0.50 N ATOM 945 CA PHE A 76 -2.525 9.241 2.095 1.00 0.56 C ATOM 946 C PHE A 76 -3.975 9.703 2.182 1.00 0.60 C ATOM 947 O PHE A 76 -4.526 10.212 1.215 1.00 0.72 O ATOM 948 CB PHE A 76 -2.462 7.720 1.916 1.00 0.65 C ATOM 949 CG PHE A 76 -1.064 7.161 1.829 1.00 2.05 C ATOM 950 CD1 PHE A 76 0.015 7.976 1.517 1.00 2.34 C ATOM 951 CD2 PHE A 76 -0.834 5.814 2.060 1.00 2.12 C ATOM 952 CE1 PHE A 76 1.291 7.459 1.442 1.00 2.34 C ATOM 953 CE2 PHE A 76 0.443 5.293 1.983 1.00 2.24 C ATOM 954 CZ PHE A 76 1.506 6.118 1.675 1.00 2.36 C ATOM 0 H PHE A 76 -1.414 8.892 3.830 1.00 0.50 H new ATOM 0 HA PHE A 76 -2.060 9.704 1.225 1.00 0.56 H new ATOM 0 HB2 PHE A 76 -2.978 7.246 2.751 1.00 0.65 H new ATOM 0 HB3 PHE A 76 -3.005 7.450 1.010 1.00 0.65 H new ATOM 0 HD1 PHE A 76 -0.147 9.027 1.331 1.00 2.34 H new ATOM 0 HD2 PHE A 76 -1.662 5.165 2.303 1.00 2.12 H new ATOM 0 HE1 PHE A 76 2.122 8.105 1.201 1.00 2.34 H new ATOM 0 HE2 PHE A 76 0.610 4.241 2.164 1.00 2.24 H new ATOM 0 HZ PHE A 76 2.505 5.713 1.617 1.00 2.36 H new ATOM 964 N GLU A 77 -4.577 9.555 3.356 1.00 0.63 N ATOM 965 CA GLU A 77 -5.963 9.968 3.559 1.00 0.73 C ATOM 966 C GLU A 77 -6.128 11.471 3.330 1.00 0.69 C ATOM 967 O GLU A 77 -7.203 11.940 2.955 1.00 0.80 O ATOM 968 CB GLU A 77 -6.436 9.598 4.964 1.00 0.90 C ATOM 969 CG GLU A 77 -6.390 8.106 5.249 1.00 1.56 C ATOM 970 CD GLU A 77 -6.961 7.756 6.606 1.00 1.94 C ATOM 971 OE1 GLU A 77 -6.260 7.950 7.621 1.00 2.41 O ATOM 972 OE2 GLU A 77 -8.116 7.285 6.664 1.00 2.52 O ATOM 0 H GLU A 77 -4.130 9.154 4.180 1.00 0.63 H new ATOM 0 HA GLU A 77 -6.577 9.439 2.830 1.00 0.73 H new ATOM 0 HB2 GLU A 77 -5.817 10.118 5.695 1.00 0.90 H new ATOM 0 HB3 GLU A 77 -7.457 9.954 5.100 1.00 0.90 H new ATOM 0 HG2 GLU A 77 -6.946 7.575 4.477 1.00 1.56 H new ATOM 0 HG3 GLU A 77 -5.358 7.761 5.193 1.00 1.56 H new ATOM 979 N ALA A 78 -5.052 12.218 3.545 1.00 0.61 N ATOM 980 CA ALA A 78 -5.076 13.662 3.369 1.00 0.62 C ATOM 981 C ALA A 78 -4.757 14.064 1.930 1.00 0.60 C ATOM 982 O ALA A 78 -5.477 14.858 1.325 1.00 0.65 O ATOM 983 CB ALA A 78 -4.094 14.322 4.321 1.00 0.64 C ATOM 0 H ALA A 78 -4.150 11.845 3.842 1.00 0.61 H new ATOM 0 HA ALA A 78 -6.086 14.004 3.594 1.00 0.62 H new ATOM 0 HB1 ALA A 78 -4.121 15.403 4.180 1.00 0.64 H new ATOM 0 HB2 ALA A 78 -4.367 14.083 5.349 1.00 0.64 H new ATOM 0 HB3 ALA A 78 -3.088 13.955 4.118 1.00 0.64 H new ATOM 989 N ALA A 79 -3.683 13.509 1.385 1.00 0.65 N ATOM 990 CA ALA A 79 -3.180 13.924 0.079 1.00 0.75 C ATOM 991 C ALA A 79 -3.888 13.218 -1.071 1.00 0.86 C ATOM 992 O ALA A 79 -4.277 13.855 -2.051 1.00 0.99 O ATOM 993 CB ALA A 79 -1.684 13.669 -0.008 1.00 0.83 C ATOM 0 H ALA A 79 -3.140 12.767 1.828 1.00 0.65 H new ATOM 0 HA ALA A 79 -3.384 14.990 -0.017 1.00 0.75 H new ATOM 0 HB1 ALA A 79 -1.318 13.982 -0.986 1.00 0.83 H new ATOM 0 HB2 ALA A 79 -1.172 14.236 0.769 1.00 0.83 H new ATOM 0 HB3 ALA A 79 -1.488 12.606 0.130 1.00 0.83 H new ATOM 999 N ALA A 80 -4.062 11.909 -0.940 1.00 0.91 N ATOM 1000 CA ALA A 80 -4.548 11.083 -2.036 1.00 1.12 C ATOM 1001 C ALA A 80 -5.964 11.469 -2.452 1.00 1.27 C ATOM 1002 O ALA A 80 -6.181 11.963 -3.560 1.00 1.56 O ATOM 1003 CB ALA A 80 -4.478 9.611 -1.651 1.00 1.25 C ATOM 0 H ALA A 80 -3.872 11.395 -0.080 1.00 0.91 H new ATOM 0 HA ALA A 80 -3.903 11.255 -2.898 1.00 1.12 H new ATOM 0 HB1 ALA A 80 -4.844 9.001 -2.477 1.00 1.25 H new ATOM 0 HB2 ALA A 80 -3.445 9.341 -1.430 1.00 1.25 H new ATOM 0 HB3 ALA A 80 -5.095 9.436 -0.770 1.00 1.25 H new ATOM 1009 N THR A 81 -6.925 11.266 -1.561 1.00 1.23 N ATOM 1010 CA THR A 81 -8.314 11.579 -1.868 1.00 1.46 C ATOM 1011 C THR A 81 -8.614 13.048 -1.571 1.00 1.63 C ATOM 1012 O THR A 81 -9.759 13.498 -1.687 1.00 1.89 O ATOM 1013 CB THR A 81 -9.290 10.672 -1.080 1.00 1.60 C ATOM 1014 OG1 THR A 81 -10.620 10.804 -1.601 1.00 2.33 O ATOM 1015 CG2 THR A 81 -9.288 11.025 0.400 1.00 1.65 C ATOM 0 H THR A 81 -6.770 10.889 -0.626 1.00 1.23 H new ATOM 0 HA THR A 81 -8.462 11.392 -2.932 1.00 1.46 H new ATOM 0 HB THR A 81 -8.955 9.641 -1.194 1.00 1.60 H new ATOM 0 HG1 THR A 81 -10.844 11.754 -1.690 1.00 2.33 H new ATOM 0 HG21 THR A 81 -9.982 10.373 0.930 1.00 1.65 H new ATOM 0 HG22 THR A 81 -8.284 10.892 0.804 1.00 1.65 H new ATOM 0 HG23 THR A 81 -9.596 12.063 0.527 1.00 1.65 H new ATOM 1023 N GLY A 82 -7.580 13.793 -1.203 1.00 1.69 N ATOM 1024 CA GLY A 82 -7.750 15.195 -0.884 1.00 2.14 C ATOM 1025 C GLY A 82 -7.817 16.061 -2.124 1.00 2.00 C ATOM 1026 O GLY A 82 -8.357 17.166 -2.087 1.00 2.59 O ATOM 0 H GLY A 82 -6.623 13.449 -1.120 1.00 1.69 H new ATOM 0 HA2 GLY A 82 -8.663 15.325 -0.303 1.00 2.14 H new ATOM 0 HA3 GLY A 82 -6.922 15.526 -0.256 1.00 2.14 H new ATOM 1030 N LYS A 83 -7.277 15.559 -3.224 1.00 1.89 N ATOM 1031 CA LYS A 83 -7.285 16.298 -4.475 1.00 2.11 C ATOM 1032 C LYS A 83 -8.364 15.751 -5.404 1.00 2.84 C ATOM 1033 O LYS A 83 -8.050 14.906 -6.269 1.00 3.20 O ATOM 1034 CB LYS A 83 -5.905 16.233 -5.140 1.00 2.31 C ATOM 1035 CG LYS A 83 -5.783 17.108 -6.378 1.00 2.78 C ATOM 1036 CD LYS A 83 -4.365 17.130 -6.924 1.00 3.44 C ATOM 1037 CE LYS A 83 -3.906 15.754 -7.376 1.00 3.93 C ATOM 1038 NZ LYS A 83 -2.578 15.812 -8.044 1.00 4.41 N ATOM 1039 OXT LYS A 83 -9.537 16.150 -5.244 1.00 3.62 O ATOM 0 H LYS A 83 -6.829 14.644 -3.275 1.00 1.89 H new ATOM 0 HA LYS A 83 -7.513 17.343 -4.266 1.00 2.11 H new ATOM 0 HB2 LYS A 83 -5.148 16.535 -4.416 1.00 2.31 H new ATOM 0 HB3 LYS A 83 -5.691 15.200 -5.413 1.00 2.31 H new ATOM 0 HG2 LYS A 83 -6.462 16.742 -7.148 1.00 2.78 H new ATOM 0 HG3 LYS A 83 -6.094 18.124 -6.135 1.00 2.78 H new ATOM 0 HD2 LYS A 83 -4.311 17.824 -7.763 1.00 3.44 H new ATOM 0 HD3 LYS A 83 -3.687 17.504 -6.157 1.00 3.44 H new ATOM 0 HE2 LYS A 83 -3.852 15.087 -6.516 1.00 3.93 H new ATOM 0 HE3 LYS A 83 -4.641 15.332 -8.062 1.00 3.93 H new ATOM 0 HZ1 LYS A 83 -2.394 14.911 -8.530 1.00 4.41 H new ATOM 0 HZ2 LYS A 83 -2.572 16.587 -8.737 1.00 4.41 H new ATOM 0 HZ3 LYS A 83 -1.838 15.978 -7.332 1.00 4.41 H new ATOM 1054 N MET B 15 -15.681 10.074 2.565 1.00 2.24 N ATOM 1055 CA MET B 15 -15.207 9.050 1.607 1.00 1.67 C ATOM 1056 C MET B 15 -14.005 8.318 2.183 1.00 1.40 C ATOM 1057 O MET B 15 -13.075 8.944 2.697 1.00 1.55 O ATOM 1058 CB MET B 15 -14.833 9.689 0.263 1.00 1.81 C ATOM 1059 CG MET B 15 -16.012 10.289 -0.493 1.00 2.21 C ATOM 1060 SD MET B 15 -16.760 11.692 0.361 1.00 3.03 S ATOM 1061 CE MET B 15 -18.049 12.147 -0.797 1.00 3.68 C ATOM 0 HA MET B 15 -16.016 8.340 1.437 1.00 1.67 H new ATOM 0 HB2 MET B 15 -14.093 10.470 0.438 1.00 1.81 H new ATOM 0 HB3 MET B 15 -14.359 8.935 -0.365 1.00 1.81 H new ATOM 0 HG2 MET B 15 -15.678 10.608 -1.480 1.00 2.21 H new ATOM 0 HG3 MET B 15 -16.768 9.519 -0.645 1.00 2.21 H new ATOM 0 HE1 MET B 15 -18.602 13.002 -0.409 1.00 3.68 H new ATOM 0 HE2 MET B 15 -17.601 12.409 -1.756 1.00 3.68 H new ATOM 0 HE3 MET B 15 -18.730 11.307 -0.932 1.00 3.68 H new ATOM 1073 N ASP B 16 -14.029 6.998 2.103 1.00 1.24 N ATOM 1074 CA ASP B 16 -12.954 6.179 2.648 1.00 1.13 C ATOM 1075 C ASP B 16 -11.760 6.167 1.708 1.00 0.91 C ATOM 1076 O ASP B 16 -11.842 5.661 0.590 1.00 1.01 O ATOM 1077 CB ASP B 16 -13.427 4.743 2.893 1.00 1.39 C ATOM 1078 CG ASP B 16 -14.474 4.644 3.981 1.00 1.84 C ATOM 1079 OD1 ASP B 16 -14.099 4.571 5.169 1.00 2.42 O ATOM 1080 OD2 ASP B 16 -15.681 4.636 3.655 1.00 2.27 O ATOM 0 H ASP B 16 -14.782 6.468 1.665 1.00 1.24 H new ATOM 0 HA ASP B 16 -12.656 6.618 3.600 1.00 1.13 H new ATOM 0 HB2 ASP B 16 -13.834 4.337 1.967 1.00 1.39 H new ATOM 0 HB3 ASP B 16 -12.571 4.125 3.163 1.00 1.39 H new ATOM 1085 N ASN B 17 -10.651 6.727 2.162 1.00 0.78 N ATOM 1086 CA ASN B 17 -9.427 6.735 1.375 1.00 0.75 C ATOM 1087 C ASN B 17 -8.768 5.363 1.424 1.00 0.62 C ATOM 1088 O ASN B 17 -8.029 4.989 0.518 1.00 0.65 O ATOM 1089 CB ASN B 17 -8.458 7.802 1.892 1.00 0.93 C ATOM 1090 CG ASN B 17 -7.183 7.890 1.068 1.00 1.57 C ATOM 1091 OD1 ASN B 17 -7.123 8.609 0.073 1.00 2.52 O ATOM 1092 ND2 ASN B 17 -6.150 7.173 1.486 1.00 1.71 N ATOM 0 H ASN B 17 -10.572 7.182 3.071 1.00 0.78 H new ATOM 0 HA ASN B 17 -9.682 6.973 0.342 1.00 0.75 H new ATOM 0 HB2 ASN B 17 -8.956 8.772 1.887 1.00 0.93 H new ATOM 0 HB3 ASN B 17 -8.201 7.581 2.928 1.00 0.93 H new ATOM 0 HD21 ASN B 17 -5.267 7.206 0.977 1.00 1.71 H new ATOM 0 HD22 ASN B 17 -6.238 6.588 2.317 1.00 1.71 H new ATOM 1099 N LYS B 18 -9.061 4.618 2.488 1.00 0.59 N ATOM 1100 CA LYS B 18 -8.504 3.278 2.682 1.00 0.62 C ATOM 1101 C LYS B 18 -8.708 2.401 1.447 1.00 0.54 C ATOM 1102 O LYS B 18 -7.779 1.740 0.984 1.00 0.48 O ATOM 1103 CB LYS B 18 -9.151 2.605 3.897 1.00 0.82 C ATOM 1104 CG LYS B 18 -8.891 3.314 5.218 1.00 1.09 C ATOM 1105 CD LYS B 18 -7.415 3.298 5.588 1.00 1.04 C ATOM 1106 CE LYS B 18 -7.178 3.916 6.958 1.00 1.43 C ATOM 1107 NZ LYS B 18 -7.865 3.157 8.038 1.00 1.89 N ATOM 0 H LYS B 18 -9.686 4.921 3.235 1.00 0.59 H new ATOM 0 HA LYS B 18 -7.433 3.390 2.851 1.00 0.62 H new ATOM 0 HB2 LYS B 18 -10.227 2.547 3.735 1.00 0.82 H new ATOM 0 HB3 LYS B 18 -8.784 1.581 3.969 1.00 0.82 H new ATOM 0 HG2 LYS B 18 -9.238 4.345 5.151 1.00 1.09 H new ATOM 0 HG3 LYS B 18 -9.469 2.834 6.008 1.00 1.09 H new ATOM 0 HD2 LYS B 18 -7.048 2.272 5.582 1.00 1.04 H new ATOM 0 HD3 LYS B 18 -6.844 3.845 4.837 1.00 1.04 H new ATOM 0 HE2 LYS B 18 -6.108 3.947 7.161 1.00 1.43 H new ATOM 0 HE3 LYS B 18 -7.533 4.947 6.957 1.00 1.43 H new ATOM 0 HZ1 LYS B 18 -7.483 3.445 8.962 1.00 1.89 H new ATOM 0 HZ2 LYS B 18 -8.885 3.356 8.008 1.00 1.89 H new ATOM 0 HZ3 LYS B 18 -7.707 2.138 7.901 1.00 1.89 H new ATOM 1121 N LYS B 19 -9.923 2.412 0.911 1.00 0.61 N ATOM 1122 CA LYS B 19 -10.262 1.562 -0.223 1.00 0.61 C ATOM 1123 C LYS B 19 -9.584 2.045 -1.506 1.00 0.53 C ATOM 1124 O LYS B 19 -9.048 1.239 -2.269 1.00 0.55 O ATOM 1125 CB LYS B 19 -11.784 1.485 -0.392 1.00 0.77 C ATOM 1126 CG LYS B 19 -12.471 2.835 -0.497 1.00 0.82 C ATOM 1127 CD LYS B 19 -13.980 2.710 -0.340 1.00 1.20 C ATOM 1128 CE LYS B 19 -14.601 1.806 -1.397 1.00 1.06 C ATOM 1129 NZ LYS B 19 -14.495 2.381 -2.762 1.00 1.49 N ATOM 0 H LYS B 19 -10.688 2.999 1.243 1.00 0.61 H new ATOM 0 HA LYS B 19 -9.888 0.558 -0.021 1.00 0.61 H new ATOM 0 HB2 LYS B 19 -12.009 0.905 -1.287 1.00 0.77 H new ATOM 0 HB3 LYS B 19 -12.205 0.941 0.454 1.00 0.77 H new ATOM 0 HG2 LYS B 19 -12.079 3.504 0.269 1.00 0.82 H new ATOM 0 HG3 LYS B 19 -12.241 3.287 -1.462 1.00 0.82 H new ATOM 0 HD2 LYS B 19 -14.208 2.316 0.650 1.00 1.20 H new ATOM 0 HD3 LYS B 19 -14.432 3.700 -0.401 1.00 1.20 H new ATOM 0 HE2 LYS B 19 -14.109 0.834 -1.375 1.00 1.06 H new ATOM 0 HE3 LYS B 19 -15.651 1.637 -1.157 1.00 1.06 H new ATOM 0 HZ1 LYS B 19 -15.046 1.801 -3.427 1.00 1.49 H new ATOM 0 HZ2 LYS B 19 -14.866 3.352 -2.759 1.00 1.49 H new ATOM 0 HZ3 LYS B 19 -13.498 2.392 -3.057 1.00 1.49 H new ATOM 1143 N ARG B 20 -9.579 3.358 -1.722 1.00 0.55 N ATOM 1144 CA ARG B 20 -8.918 3.939 -2.889 1.00 0.59 C ATOM 1145 C ARG B 20 -7.412 3.705 -2.824 1.00 0.55 C ATOM 1146 O ARG B 20 -6.751 3.531 -3.849 1.00 0.61 O ATOM 1147 CB ARG B 20 -9.211 5.437 -2.986 1.00 0.70 C ATOM 1148 CG ARG B 20 -10.581 5.758 -3.559 1.00 0.82 C ATOM 1149 CD ARG B 20 -10.826 7.257 -3.600 1.00 1.01 C ATOM 1150 NE ARG B 20 -11.917 7.607 -4.509 1.00 1.31 N ATOM 1151 CZ ARG B 20 -12.650 8.718 -4.418 1.00 1.46 C ATOM 1152 NH1 ARG B 20 -12.430 9.596 -3.444 1.00 1.33 N ATOM 1153 NH2 ARG B 20 -13.600 8.954 -5.314 1.00 2.34 N ATOM 0 H ARG B 20 -10.024 4.039 -1.106 1.00 0.55 H new ATOM 0 HA ARG B 20 -9.311 3.448 -3.779 1.00 0.59 H new ATOM 0 HB2 ARG B 20 -9.130 5.879 -1.993 1.00 0.70 H new ATOM 0 HB3 ARG B 20 -8.448 5.907 -3.607 1.00 0.70 H new ATOM 0 HG2 ARG B 20 -10.662 5.347 -4.565 1.00 0.82 H new ATOM 0 HG3 ARG B 20 -11.351 5.278 -2.955 1.00 0.82 H new ATOM 0 HD2 ARG B 20 -11.060 7.614 -2.597 1.00 1.01 H new ATOM 0 HD3 ARG B 20 -9.914 7.765 -3.914 1.00 1.01 H new ATOM 0 HE ARG B 20 -12.132 6.957 -5.265 1.00 1.31 H new ATOM 0 HH11 ARG B 20 -11.695 9.423 -2.758 1.00 1.33 H new ATOM 0 HH12 ARG B 20 -12.996 10.442 -3.383 1.00 1.33 H new ATOM 0 HH21 ARG B 20 -13.767 8.287 -6.068 1.00 2.34 H new ATOM 0 HH22 ARG B 20 -14.163 9.802 -5.249 1.00 2.34 H new ATOM 1167 N LEU B 21 -6.882 3.713 -1.608 1.00 0.54 N ATOM 1168 CA LEU B 21 -5.480 3.404 -1.366 1.00 0.58 C ATOM 1169 C LEU B 21 -5.146 2.010 -1.885 1.00 0.57 C ATOM 1170 O LEU B 21 -4.184 1.829 -2.635 1.00 0.64 O ATOM 1171 CB LEU B 21 -5.187 3.510 0.137 1.00 0.64 C ATOM 1172 CG LEU B 21 -3.857 2.916 0.613 1.00 0.60 C ATOM 1173 CD1 LEU B 21 -2.689 3.515 -0.151 1.00 0.70 C ATOM 1174 CD2 LEU B 21 -3.681 3.159 2.101 1.00 0.61 C ATOM 0 H LEU B 21 -7.411 3.933 -0.764 1.00 0.54 H new ATOM 0 HA LEU B 21 -4.855 4.120 -1.900 1.00 0.58 H new ATOM 0 HB2 LEU B 21 -5.211 4.563 0.417 1.00 0.64 H new ATOM 0 HB3 LEU B 21 -5.995 3.018 0.679 1.00 0.64 H new ATOM 0 HG LEU B 21 -3.876 1.843 0.423 1.00 0.60 H new ATOM 0 HD11 LEU B 21 -1.757 3.076 0.206 1.00 0.70 H new ATOM 0 HD12 LEU B 21 -2.804 3.306 -1.215 1.00 0.70 H new ATOM 0 HD13 LEU B 21 -2.666 4.593 0.006 1.00 0.70 H new ATOM 0 HD21 LEU B 21 -2.733 2.733 2.430 1.00 0.61 H new ATOM 0 HD22 LEU B 21 -3.685 4.231 2.298 1.00 0.61 H new ATOM 0 HD23 LEU B 21 -4.499 2.687 2.646 1.00 0.61 H new ATOM 1186 N ALA B 22 -5.959 1.037 -1.499 1.00 0.55 N ATOM 1187 CA ALA B 22 -5.768 -0.336 -1.933 1.00 0.63 C ATOM 1188 C ALA B 22 -5.878 -0.443 -3.445 1.00 0.51 C ATOM 1189 O ALA B 22 -5.006 -1.011 -4.098 1.00 0.44 O ATOM 1190 CB ALA B 22 -6.786 -1.242 -1.272 1.00 0.83 C ATOM 0 H ALA B 22 -6.760 1.176 -0.883 1.00 0.55 H new ATOM 0 HA ALA B 22 -4.768 -0.652 -1.636 1.00 0.63 H new ATOM 0 HB1 ALA B 22 -6.631 -2.268 -1.606 1.00 0.83 H new ATOM 0 HB2 ALA B 22 -6.669 -1.192 -0.189 1.00 0.83 H new ATOM 0 HB3 ALA B 22 -7.791 -0.919 -1.544 1.00 0.83 H new ATOM 1196 N TYR B 23 -6.946 0.127 -3.990 1.00 0.62 N ATOM 1197 CA TYR B 23 -7.198 0.090 -5.424 1.00 0.75 C ATOM 1198 C TYR B 23 -6.020 0.651 -6.215 1.00 0.66 C ATOM 1199 O TYR B 23 -5.562 0.043 -7.186 1.00 0.66 O ATOM 1200 CB TYR B 23 -8.469 0.876 -5.756 1.00 1.10 C ATOM 1201 CG TYR B 23 -8.558 1.297 -7.206 1.00 1.02 C ATOM 1202 CD1 TYR B 23 -8.904 0.388 -8.195 1.00 1.46 C ATOM 1203 CD2 TYR B 23 -8.272 2.603 -7.584 1.00 1.86 C ATOM 1204 CE1 TYR B 23 -8.964 0.770 -9.520 1.00 1.83 C ATOM 1205 CE2 TYR B 23 -8.325 2.991 -8.906 1.00 2.48 C ATOM 1206 CZ TYR B 23 -8.672 2.072 -9.871 1.00 2.22 C ATOM 1207 OH TYR B 23 -8.725 2.455 -11.195 1.00 2.99 O ATOM 0 H TYR B 23 -7.657 0.625 -3.454 1.00 0.62 H new ATOM 0 HA TYR B 23 -7.330 -0.953 -5.711 1.00 0.75 H new ATOM 0 HB2 TYR B 23 -9.338 0.266 -5.509 1.00 1.10 H new ATOM 0 HB3 TYR B 23 -8.513 1.764 -5.125 1.00 1.10 H new ATOM 0 HD1 TYR B 23 -9.130 -0.633 -7.924 1.00 1.46 H new ATOM 0 HD2 TYR B 23 -8.003 3.327 -6.829 1.00 1.86 H new ATOM 0 HE1 TYR B 23 -9.238 0.052 -10.279 1.00 1.83 H new ATOM 0 HE2 TYR B 23 -8.096 4.009 -9.183 1.00 2.48 H new ATOM 0 HH TYR B 23 -8.493 3.404 -11.271 1.00 2.99 H new ATOM 1217 N ALA B 24 -5.537 1.811 -5.797 1.00 0.72 N ATOM 1218 CA ALA B 24 -4.441 2.479 -6.478 1.00 0.87 C ATOM 1219 C ALA B 24 -3.201 1.604 -6.517 1.00 0.75 C ATOM 1220 O ALA B 24 -2.517 1.512 -7.537 1.00 0.84 O ATOM 1221 CB ALA B 24 -4.127 3.788 -5.791 1.00 1.14 C ATOM 0 H ALA B 24 -5.891 2.312 -4.982 1.00 0.72 H new ATOM 0 HA ALA B 24 -4.750 2.673 -7.505 1.00 0.87 H new ATOM 0 HB1 ALA B 24 -3.304 4.282 -6.308 1.00 1.14 H new ATOM 0 HB2 ALA B 24 -5.007 4.431 -5.813 1.00 1.14 H new ATOM 0 HB3 ALA B 24 -3.843 3.597 -4.756 1.00 1.14 H new ATOM 1227 N ILE B 25 -2.921 0.964 -5.395 1.00 0.63 N ATOM 1228 CA ILE B 25 -1.784 0.072 -5.287 1.00 0.71 C ATOM 1229 C ILE B 25 -2.016 -1.187 -6.122 1.00 0.61 C ATOM 1230 O ILE B 25 -1.093 -1.701 -6.752 1.00 0.66 O ATOM 1231 CB ILE B 25 -1.506 -0.273 -3.805 1.00 0.80 C ATOM 1232 CG1 ILE B 25 -1.052 0.996 -3.075 1.00 0.97 C ATOM 1233 CG2 ILE B 25 -0.465 -1.374 -3.673 1.00 0.91 C ATOM 1234 CD1 ILE B 25 -0.806 0.809 -1.595 1.00 0.89 C ATOM 0 H ILE B 25 -3.472 1.048 -4.540 1.00 0.63 H new ATOM 0 HA ILE B 25 -0.901 0.575 -5.681 1.00 0.71 H new ATOM 0 HB ILE B 25 -2.424 -0.648 -3.352 1.00 0.80 H new ATOM 0 HG12 ILE B 25 -0.136 1.361 -3.540 1.00 0.97 H new ATOM 0 HG13 ILE B 25 -1.808 1.769 -3.211 1.00 0.97 H new ATOM 0 HG21 ILE B 25 -0.295 -1.590 -2.618 1.00 0.91 H new ATOM 0 HG22 ILE B 25 -0.821 -2.274 -4.175 1.00 0.91 H new ATOM 0 HG23 ILE B 25 0.469 -1.049 -4.131 1.00 0.91 H new ATOM 0 HD11 ILE B 25 -0.488 1.755 -1.157 1.00 0.89 H new ATOM 0 HD12 ILE B 25 -1.725 0.476 -1.113 1.00 0.89 H new ATOM 0 HD13 ILE B 25 -0.027 0.061 -1.447 1.00 0.89 H new ATOM 1246 N ILE B 26 -3.262 -1.652 -6.156 1.00 0.53 N ATOM 1247 CA ILE B 26 -3.647 -2.778 -7.004 1.00 0.53 C ATOM 1248 C ILE B 26 -3.323 -2.493 -8.471 1.00 0.51 C ATOM 1249 O ILE B 26 -2.693 -3.306 -9.145 1.00 0.53 O ATOM 1250 CB ILE B 26 -5.158 -3.098 -6.860 1.00 0.58 C ATOM 1251 CG1 ILE B 26 -5.440 -3.723 -5.489 1.00 0.67 C ATOM 1252 CG2 ILE B 26 -5.641 -4.014 -7.982 1.00 0.62 C ATOM 1253 CD1 ILE B 26 -6.901 -4.047 -5.252 1.00 0.78 C ATOM 0 H ILE B 26 -4.026 -1.264 -5.603 1.00 0.53 H new ATOM 0 HA ILE B 26 -3.072 -3.643 -6.674 1.00 0.53 H new ATOM 0 HB ILE B 26 -5.711 -2.162 -6.938 1.00 0.58 H new ATOM 0 HG12 ILE B 26 -4.854 -4.637 -5.390 1.00 0.67 H new ATOM 0 HG13 ILE B 26 -5.099 -3.039 -4.712 1.00 0.67 H new ATOM 0 HG21 ILE B 26 -6.704 -4.219 -7.852 1.00 0.62 H new ATOM 0 HG22 ILE B 26 -5.480 -3.527 -8.944 1.00 0.62 H new ATOM 0 HG23 ILE B 26 -5.084 -4.951 -7.952 1.00 0.62 H new ATOM 0 HD11 ILE B 26 -7.020 -4.486 -4.261 1.00 0.78 H new ATOM 0 HD12 ILE B 26 -7.492 -3.133 -5.318 1.00 0.78 H new ATOM 0 HD13 ILE B 26 -7.244 -4.755 -6.006 1.00 0.78 H new ATOM 1265 N GLN B 27 -3.739 -1.327 -8.952 1.00 0.54 N ATOM 1266 CA GLN B 27 -3.552 -0.969 -10.354 1.00 0.62 C ATOM 1267 C GLN B 27 -2.091 -0.681 -10.674 1.00 0.55 C ATOM 1268 O GLN B 27 -1.606 -1.027 -11.751 1.00 0.57 O ATOM 1269 CB GLN B 27 -4.410 0.240 -10.721 1.00 0.79 C ATOM 1270 CG GLN B 27 -5.899 -0.005 -10.555 1.00 0.89 C ATOM 1271 CD GLN B 27 -6.412 -1.170 -11.386 1.00 1.10 C ATOM 1272 OE1 GLN B 27 -7.355 -1.854 -10.995 1.00 1.58 O ATOM 1273 NE2 GLN B 27 -5.809 -1.396 -12.545 1.00 1.34 N ATOM 0 H GLN B 27 -4.207 -0.614 -8.393 1.00 0.54 H new ATOM 0 HA GLN B 27 -3.866 -1.826 -10.949 1.00 0.62 H new ATOM 0 HB2 GLN B 27 -4.117 1.086 -10.100 1.00 0.79 H new ATOM 0 HB3 GLN B 27 -4.208 0.519 -11.755 1.00 0.79 H new ATOM 0 HG2 GLN B 27 -6.114 -0.195 -9.503 1.00 0.89 H new ATOM 0 HG3 GLN B 27 -6.442 0.898 -10.833 1.00 0.89 H new ATOM 0 HE21 GLN B 27 -5.029 -0.807 -12.837 1.00 1.34 H new ATOM 0 HE22 GLN B 27 -6.125 -2.158 -13.144 1.00 1.34 H new ATOM 1282 N PHE B 28 -1.388 -0.048 -9.747 1.00 0.52 N ATOM 1283 CA PHE B 28 0.012 0.280 -9.969 1.00 0.51 C ATOM 1284 C PHE B 28 0.863 -0.981 -9.959 1.00 0.43 C ATOM 1285 O PHE B 28 1.667 -1.202 -10.862 1.00 0.42 O ATOM 1286 CB PHE B 28 0.519 1.270 -8.922 1.00 0.60 C ATOM 1287 CG PHE B 28 1.931 1.719 -9.170 1.00 0.90 C ATOM 1288 CD1 PHE B 28 2.237 2.500 -10.274 1.00 1.62 C ATOM 1289 CD2 PHE B 28 2.952 1.354 -8.307 1.00 1.60 C ATOM 1290 CE1 PHE B 28 3.534 2.908 -10.512 1.00 1.96 C ATOM 1291 CE2 PHE B 28 4.250 1.760 -8.542 1.00 1.98 C ATOM 1292 CZ PHE B 28 4.543 2.537 -9.645 1.00 1.83 C ATOM 0 H PHE B 28 -1.759 0.246 -8.843 1.00 0.52 H new ATOM 0 HA PHE B 28 0.094 0.751 -10.948 1.00 0.51 H new ATOM 0 HB2 PHE B 28 -0.136 2.141 -8.908 1.00 0.60 H new ATOM 0 HB3 PHE B 28 0.458 0.809 -7.936 1.00 0.60 H new ATOM 0 HD1 PHE B 28 1.452 2.792 -10.955 1.00 1.62 H new ATOM 0 HD2 PHE B 28 2.730 0.746 -7.442 1.00 1.60 H new ATOM 0 HE1 PHE B 28 3.760 3.517 -11.375 1.00 1.96 H new ATOM 0 HE2 PHE B 28 5.037 1.470 -7.862 1.00 1.98 H new ATOM 0 HZ PHE B 28 5.559 2.854 -9.829 1.00 1.83 H new ATOM 1302 N LEU B 29 0.664 -1.818 -8.948 1.00 0.45 N ATOM 1303 CA LEU B 29 1.409 -3.065 -8.837 1.00 0.45 C ATOM 1304 C LEU B 29 1.034 -4.016 -9.967 1.00 0.45 C ATOM 1305 O LEU B 29 1.807 -4.892 -10.320 1.00 0.48 O ATOM 1306 CB LEU B 29 1.169 -3.724 -7.475 1.00 0.53 C ATOM 1307 CG LEU B 29 2.103 -3.272 -6.342 1.00 0.59 C ATOM 1308 CD1 LEU B 29 2.089 -1.757 -6.179 1.00 0.57 C ATOM 1309 CD2 LEU B 29 1.712 -3.951 -5.039 1.00 0.70 C ATOM 0 H LEU B 29 -0.005 -1.656 -8.195 1.00 0.45 H new ATOM 0 HA LEU B 29 2.471 -2.835 -8.920 1.00 0.45 H new ATOM 0 HB2 LEU B 29 0.140 -3.527 -7.173 1.00 0.53 H new ATOM 0 HB3 LEU B 29 1.266 -4.803 -7.592 1.00 0.53 H new ATOM 0 HG LEU B 29 3.119 -3.566 -6.605 1.00 0.59 H new ATOM 0 HD11 LEU B 29 2.761 -1.472 -5.369 1.00 0.57 H new ATOM 0 HD12 LEU B 29 2.419 -1.288 -7.106 1.00 0.57 H new ATOM 0 HD13 LEU B 29 1.077 -1.426 -5.945 1.00 0.57 H new ATOM 0 HD21 LEU B 29 2.381 -3.623 -4.243 1.00 0.70 H new ATOM 0 HD22 LEU B 29 0.686 -3.685 -4.784 1.00 0.70 H new ATOM 0 HD23 LEU B 29 1.788 -5.032 -5.155 1.00 0.70 H new ATOM 1321 N HIS B 30 -0.156 -3.827 -10.524 1.00 0.47 N ATOM 1322 CA HIS B 30 -0.597 -4.572 -11.702 1.00 0.53 C ATOM 1323 C HIS B 30 0.375 -4.369 -12.865 1.00 0.48 C ATOM 1324 O HIS B 30 0.911 -5.327 -13.424 1.00 0.49 O ATOM 1325 CB HIS B 30 -2.007 -4.105 -12.097 1.00 0.67 C ATOM 1326 CG HIS B 30 -2.497 -4.608 -13.422 1.00 0.94 C ATOM 1327 ND1 HIS B 30 -2.398 -3.875 -14.587 1.00 1.11 N ATOM 1328 CD2 HIS B 30 -3.124 -5.758 -13.757 1.00 1.18 C ATOM 1329 CE1 HIS B 30 -2.945 -4.554 -15.578 1.00 1.38 C ATOM 1330 NE2 HIS B 30 -3.394 -5.700 -15.102 1.00 1.41 N ATOM 0 H HIS B 30 -0.841 -3.157 -10.176 1.00 0.47 H new ATOM 0 HA HIS B 30 -0.619 -5.635 -11.464 1.00 0.53 H new ATOM 0 HB2 HIS B 30 -2.707 -4.422 -11.324 1.00 0.67 H new ATOM 0 HB3 HIS B 30 -2.021 -3.015 -12.112 1.00 0.67 H new ATOM 0 HD1 HIS B 30 -1.969 -2.953 -14.669 1.00 1.11 H new ATOM 0 HD2 HIS B 30 -3.367 -6.572 -13.090 1.00 1.18 H new ATOM 0 HE1 HIS B 30 -3.014 -4.227 -16.605 1.00 1.38 H new ATOM 1339 N ASP B 31 0.605 -3.113 -13.213 1.00 0.48 N ATOM 1340 CA ASP B 31 1.468 -2.778 -14.337 1.00 0.52 C ATOM 1341 C ASP B 31 2.932 -2.928 -13.958 1.00 0.45 C ATOM 1342 O ASP B 31 3.739 -3.418 -14.748 1.00 0.50 O ATOM 1343 CB ASP B 31 1.180 -1.358 -14.826 1.00 0.63 C ATOM 1344 CG ASP B 31 -0.142 -1.263 -15.564 1.00 1.24 C ATOM 1345 OD1 ASP B 31 -1.200 -1.482 -14.935 1.00 1.98 O ATOM 1346 OD2 ASP B 31 -0.130 -0.989 -16.784 1.00 1.79 O ATOM 0 H ASP B 31 0.206 -2.306 -12.733 1.00 0.48 H new ATOM 0 HA ASP B 31 1.257 -3.473 -15.150 1.00 0.52 H new ATOM 0 HB2 ASP B 31 1.168 -0.678 -13.974 1.00 0.63 H new ATOM 0 HB3 ASP B 31 1.986 -1.032 -15.484 1.00 0.63 H new ATOM 1351 N GLN B 32 3.267 -2.526 -12.738 1.00 0.42 N ATOM 1352 CA GLN B 32 4.621 -2.673 -12.217 1.00 0.44 C ATOM 1353 C GLN B 32 5.031 -4.146 -12.199 1.00 0.38 C ATOM 1354 O GLN B 32 6.206 -4.483 -12.355 1.00 0.43 O ATOM 1355 CB GLN B 32 4.700 -2.077 -10.809 1.00 0.52 C ATOM 1356 CG GLN B 32 6.038 -2.269 -10.115 1.00 0.57 C ATOM 1357 CD GLN B 32 6.038 -1.697 -8.713 1.00 1.17 C ATOM 1358 OE1 GLN B 32 6.434 -0.553 -8.494 1.00 1.93 O ATOM 1359 NE2 GLN B 32 5.569 -2.482 -7.757 1.00 1.31 N ATOM 0 H GLN B 32 2.614 -2.092 -12.086 1.00 0.42 H new ATOM 0 HA GLN B 32 5.311 -2.136 -12.868 1.00 0.44 H new ATOM 0 HB2 GLN B 32 4.486 -1.010 -10.868 1.00 0.52 H new ATOM 0 HB3 GLN B 32 3.919 -2.525 -10.195 1.00 0.52 H new ATOM 0 HG2 GLN B 32 6.275 -3.332 -10.073 1.00 0.57 H new ATOM 0 HG3 GLN B 32 6.822 -1.791 -10.702 1.00 0.57 H new ATOM 0 HE21 GLN B 32 5.251 -3.425 -7.982 1.00 1.31 H new ATOM 0 HE22 GLN B 32 5.526 -2.145 -6.795 1.00 1.31 H new ATOM 1368 N LEU B 33 4.046 -5.016 -12.019 1.00 0.37 N ATOM 1369 CA LEU B 33 4.268 -6.453 -12.032 1.00 0.42 C ATOM 1370 C LEU B 33 4.747 -6.890 -13.409 1.00 0.46 C ATOM 1371 O LEU B 33 5.767 -7.566 -13.543 1.00 0.53 O ATOM 1372 CB LEU B 33 2.963 -7.181 -11.671 1.00 0.53 C ATOM 1373 CG LEU B 33 3.111 -8.573 -11.053 1.00 0.80 C ATOM 1374 CD1 LEU B 33 3.513 -9.605 -12.098 1.00 1.22 C ATOM 1375 CD2 LEU B 33 4.129 -8.532 -9.930 1.00 0.83 C ATOM 0 H LEU B 33 3.075 -4.746 -11.861 1.00 0.37 H new ATOM 0 HA LEU B 33 5.032 -6.706 -11.297 1.00 0.42 H new ATOM 0 HB2 LEU B 33 2.404 -6.556 -10.975 1.00 0.53 H new ATOM 0 HB3 LEU B 33 2.360 -7.270 -12.575 1.00 0.53 H new ATOM 0 HG LEU B 33 2.143 -8.872 -10.650 1.00 0.80 H new ATOM 0 HD11 LEU B 33 3.610 -10.583 -11.626 1.00 1.22 H new ATOM 0 HD12 LEU B 33 2.751 -9.651 -12.876 1.00 1.22 H new ATOM 0 HD13 LEU B 33 4.467 -9.321 -12.542 1.00 1.22 H new ATOM 0 HD21 LEU B 33 4.230 -9.526 -9.494 1.00 0.83 H new ATOM 0 HD22 LEU B 33 5.093 -8.209 -10.324 1.00 0.83 H new ATOM 0 HD23 LEU B 33 3.797 -7.832 -9.164 1.00 0.83 H new ATOM 1387 N ARG B 34 4.014 -6.468 -14.430 1.00 0.47 N ATOM 1388 CA ARG B 34 4.315 -6.851 -15.803 1.00 0.59 C ATOM 1389 C ARG B 34 5.579 -6.159 -16.304 1.00 0.58 C ATOM 1390 O ARG B 34 6.254 -6.664 -17.196 1.00 0.69 O ATOM 1391 CB ARG B 34 3.133 -6.519 -16.716 1.00 0.70 C ATOM 1392 CG ARG B 34 1.830 -7.174 -16.286 1.00 1.41 C ATOM 1393 CD ARG B 34 1.959 -8.686 -16.221 1.00 1.46 C ATOM 1394 NE ARG B 34 0.749 -9.319 -15.707 1.00 2.18 N ATOM 1395 CZ ARG B 34 0.730 -10.502 -15.094 1.00 2.53 C ATOM 1396 NH1 ARG B 34 1.854 -11.192 -14.939 1.00 2.19 N ATOM 1397 NH2 ARG B 34 -0.418 -10.995 -14.640 1.00 3.50 N ATOM 0 H ARG B 34 3.203 -5.857 -14.333 1.00 0.47 H new ATOM 0 HA ARG B 34 4.489 -7.927 -15.823 1.00 0.59 H new ATOM 0 HB2 ARG B 34 2.996 -5.438 -16.741 1.00 0.70 H new ATOM 0 HB3 ARG B 34 3.370 -6.833 -17.732 1.00 0.70 H new ATOM 0 HG2 ARG B 34 1.535 -6.791 -15.309 1.00 1.41 H new ATOM 0 HG3 ARG B 34 1.039 -6.906 -16.986 1.00 1.41 H new ATOM 0 HD2 ARG B 34 2.176 -9.074 -17.216 1.00 1.46 H new ATOM 0 HD3 ARG B 34 2.804 -8.950 -15.585 1.00 1.46 H new ATOM 0 HE ARG B 34 -0.136 -8.826 -15.824 1.00 2.18 H new ATOM 0 HH11 ARG B 34 2.735 -10.817 -15.290 1.00 2.19 H new ATOM 0 HH12 ARG B 34 1.836 -12.097 -14.469 1.00 2.19 H new ATOM 0 HH21 ARG B 34 -1.283 -10.468 -14.761 1.00 3.50 H new ATOM 0 HH22 ARG B 34 -0.434 -11.900 -14.171 1.00 3.50 H new ATOM 1411 N HIS B 35 5.901 -5.010 -15.724 1.00 0.53 N ATOM 1412 CA HIS B 35 7.083 -4.256 -16.134 1.00 0.59 C ATOM 1413 C HIS B 35 8.336 -4.752 -15.420 1.00 0.58 C ATOM 1414 O HIS B 35 9.454 -4.383 -15.782 1.00 0.74 O ATOM 1415 CB HIS B 35 6.908 -2.757 -15.871 1.00 0.59 C ATOM 1416 CG HIS B 35 5.868 -2.097 -16.723 1.00 1.17 C ATOM 1417 ND1 HIS B 35 4.996 -1.145 -16.242 1.00 1.99 N ATOM 1418 CD2 HIS B 35 5.571 -2.244 -18.036 1.00 1.62 C ATOM 1419 CE1 HIS B 35 4.209 -0.737 -17.219 1.00 2.69 C ATOM 1420 NE2 HIS B 35 4.538 -1.386 -18.317 1.00 2.43 N ATOM 0 H HIS B 35 5.364 -4.580 -14.971 1.00 0.53 H new ATOM 0 HA HIS B 35 7.202 -4.416 -17.206 1.00 0.59 H new ATOM 0 HB2 HIS B 35 6.647 -2.612 -14.823 1.00 0.59 H new ATOM 0 HB3 HIS B 35 7.863 -2.258 -16.033 1.00 0.59 H new ATOM 0 HD2 HIS B 35 6.057 -2.912 -18.732 1.00 1.62 H new ATOM 0 HE1 HIS B 35 3.428 0.004 -17.133 1.00 2.69 H new ATOM 0 HE2 HIS B 35 4.096 -1.269 -19.229 1.00 2.43 H new ATOM 1429 N GLY B 36 8.145 -5.590 -14.405 1.00 0.49 N ATOM 1430 CA GLY B 36 9.266 -6.102 -13.639 1.00 0.51 C ATOM 1431 C GLY B 36 9.898 -5.032 -12.774 1.00 0.47 C ATOM 1432 O GLY B 36 11.123 -4.934 -12.694 1.00 0.53 O ATOM 0 H GLY B 36 7.231 -5.924 -14.099 1.00 0.49 H new ATOM 0 HA2 GLY B 36 8.929 -6.925 -13.009 1.00 0.51 H new ATOM 0 HA3 GLY B 36 10.015 -6.507 -14.319 1.00 0.51 H new ATOM 1436 N GLY B 37 9.055 -4.227 -12.135 1.00 0.41 N ATOM 1437 CA GLY B 37 9.532 -3.110 -11.336 1.00 0.40 C ATOM 1438 C GLY B 37 10.495 -3.518 -10.238 1.00 0.39 C ATOM 1439 O GLY B 37 11.527 -2.874 -10.040 1.00 0.53 O ATOM 0 H GLY B 37 8.040 -4.329 -12.156 1.00 0.41 H new ATOM 0 HA2 GLY B 37 10.024 -2.390 -11.990 1.00 0.40 H new ATOM 0 HA3 GLY B 37 8.677 -2.603 -10.888 1.00 0.40 H new ATOM 1443 N LEU B 38 10.162 -4.576 -9.512 1.00 0.36 N ATOM 1444 CA LEU B 38 11.018 -5.039 -8.426 1.00 0.41 C ATOM 1445 C LEU B 38 11.880 -6.227 -8.858 1.00 0.49 C ATOM 1446 O LEU B 38 12.833 -6.067 -9.621 1.00 0.83 O ATOM 1447 CB LEU B 38 10.198 -5.400 -7.179 1.00 0.44 C ATOM 1448 CG LEU B 38 9.695 -4.224 -6.328 1.00 0.44 C ATOM 1449 CD1 LEU B 38 10.854 -3.354 -5.865 1.00 0.51 C ATOM 1450 CD2 LEU B 38 8.676 -3.392 -7.084 1.00 0.47 C ATOM 0 H LEU B 38 9.314 -5.126 -9.652 1.00 0.36 H new ATOM 0 HA LEU B 38 11.682 -4.213 -8.170 1.00 0.41 H new ATOM 0 HB2 LEU B 38 9.335 -5.986 -7.495 1.00 0.44 H new ATOM 0 HB3 LEU B 38 10.806 -6.045 -6.545 1.00 0.44 H new ATOM 0 HG LEU B 38 9.204 -4.641 -5.449 1.00 0.44 H new ATOM 0 HD11 LEU B 38 10.472 -2.528 -5.264 1.00 0.51 H new ATOM 0 HD12 LEU B 38 11.541 -3.952 -5.265 1.00 0.51 H new ATOM 0 HD13 LEU B 38 11.381 -2.958 -6.733 1.00 0.51 H new ATOM 0 HD21 LEU B 38 8.340 -2.568 -6.454 1.00 0.47 H new ATOM 0 HD22 LEU B 38 9.132 -2.994 -7.990 1.00 0.47 H new ATOM 0 HD23 LEU B 38 7.823 -4.016 -7.351 1.00 0.47 H new ATOM 1462 N SER B 39 11.544 -7.415 -8.370 1.00 0.47 N ATOM 1463 CA SER B 39 12.323 -8.611 -8.658 1.00 0.54 C ATOM 1464 C SER B 39 11.401 -9.809 -8.895 1.00 0.48 C ATOM 1465 O SER B 39 10.178 -9.664 -8.862 1.00 0.45 O ATOM 1466 CB SER B 39 13.295 -8.888 -7.504 1.00 0.67 C ATOM 1467 OG SER B 39 14.195 -9.935 -7.823 1.00 1.42 O ATOM 0 H SER B 39 10.734 -7.575 -7.771 1.00 0.47 H new ATOM 0 HA SER B 39 12.900 -8.448 -9.568 1.00 0.54 H new ATOM 0 HB2 SER B 39 13.856 -7.982 -7.274 1.00 0.67 H new ATOM 0 HB3 SER B 39 12.732 -9.151 -6.608 1.00 0.67 H new ATOM 0 HG SER B 39 13.907 -10.760 -7.380 1.00 1.42 H new ATOM 1473 N SER B 40 11.987 -10.984 -9.104 1.00 0.59 N ATOM 1474 CA SER B 40 11.221 -12.191 -9.394 1.00 0.61 C ATOM 1475 C SER B 40 10.367 -12.600 -8.194 1.00 0.53 C ATOM 1476 O SER B 40 9.145 -12.723 -8.304 1.00 0.49 O ATOM 1477 CB SER B 40 12.168 -13.330 -9.783 1.00 0.77 C ATOM 1478 OG SER B 40 11.455 -14.499 -10.148 1.00 1.63 O ATOM 0 H SER B 40 12.997 -11.126 -9.078 1.00 0.59 H new ATOM 0 HA SER B 40 10.552 -11.981 -10.229 1.00 0.61 H new ATOM 0 HB2 SER B 40 12.798 -13.013 -10.614 1.00 0.77 H new ATOM 0 HB3 SER B 40 12.832 -13.554 -8.948 1.00 0.77 H new ATOM 0 HG SER B 40 12.089 -15.206 -10.392 1.00 1.63 H new ATOM 1484 N ASP B 41 11.009 -12.786 -7.043 1.00 0.57 N ATOM 1485 CA ASP B 41 10.299 -13.175 -5.823 1.00 0.58 C ATOM 1486 C ASP B 41 9.334 -12.083 -5.397 1.00 0.53 C ATOM 1487 O ASP B 41 8.321 -12.344 -4.753 1.00 0.55 O ATOM 1488 CB ASP B 41 11.280 -13.465 -4.683 1.00 0.71 C ATOM 1489 CG ASP B 41 12.038 -14.764 -4.872 1.00 1.26 C ATOM 1490 OD1 ASP B 41 13.064 -14.764 -5.589 1.00 2.21 O ATOM 1491 OD2 ASP B 41 11.623 -15.789 -4.291 1.00 1.69 O ATOM 0 H ASP B 41 12.016 -12.675 -6.928 1.00 0.57 H new ATOM 0 HA ASP B 41 9.739 -14.084 -6.042 1.00 0.58 H new ATOM 0 HB2 ASP B 41 11.992 -12.643 -4.605 1.00 0.71 H new ATOM 0 HB3 ASP B 41 10.733 -13.503 -3.741 1.00 0.71 H new ATOM 1496 N ALA B 42 9.657 -10.856 -5.767 1.00 0.51 N ATOM 1497 CA ALA B 42 8.806 -9.721 -5.468 1.00 0.50 C ATOM 1498 C ALA B 42 7.558 -9.738 -6.335 1.00 0.47 C ATOM 1499 O ALA B 42 6.484 -9.346 -5.891 1.00 0.52 O ATOM 1500 CB ALA B 42 9.568 -8.431 -5.680 1.00 0.54 C ATOM 0 H ALA B 42 10.508 -10.621 -6.278 1.00 0.51 H new ATOM 0 HA ALA B 42 8.499 -9.788 -4.424 1.00 0.50 H new ATOM 0 HB1 ALA B 42 8.920 -7.584 -5.453 1.00 0.54 H new ATOM 0 HB2 ALA B 42 10.437 -8.410 -5.023 1.00 0.54 H new ATOM 0 HB3 ALA B 42 9.896 -8.369 -6.718 1.00 0.54 H new ATOM 1506 N GLN B 43 7.714 -10.194 -7.571 1.00 0.44 N ATOM 1507 CA GLN B 43 6.607 -10.274 -8.516 1.00 0.45 C ATOM 1508 C GLN B 43 5.479 -11.141 -7.978 1.00 0.45 C ATOM 1509 O GLN B 43 4.360 -10.667 -7.776 1.00 0.48 O ATOM 1510 CB GLN B 43 7.097 -10.830 -9.849 1.00 0.49 C ATOM 1511 CG GLN B 43 7.623 -9.764 -10.796 1.00 0.82 C ATOM 1512 CD GLN B 43 8.219 -10.343 -12.063 1.00 0.85 C ATOM 1513 OE1 GLN B 43 9.125 -9.759 -12.657 1.00 1.57 O ATOM 1514 NE2 GLN B 43 7.716 -11.490 -12.491 1.00 1.12 N ATOM 0 H GLN B 43 8.606 -10.517 -7.946 1.00 0.44 H new ATOM 0 HA GLN B 43 6.219 -9.266 -8.663 1.00 0.45 H new ATOM 0 HB2 GLN B 43 7.886 -11.559 -9.661 1.00 0.49 H new ATOM 0 HB3 GLN B 43 6.279 -11.363 -10.334 1.00 0.49 H new ATOM 0 HG2 GLN B 43 6.811 -9.086 -11.059 1.00 0.82 H new ATOM 0 HG3 GLN B 43 8.380 -9.171 -10.283 1.00 0.82 H new ATOM 0 HE21 GLN B 43 6.965 -11.943 -11.970 1.00 1.12 H new ATOM 0 HE22 GLN B 43 8.079 -11.921 -13.341 1.00 1.12 H new ATOM 1523 N GLU B 44 5.777 -12.409 -7.755 1.00 0.49 N ATOM 1524 CA GLU B 44 4.810 -13.332 -7.172 1.00 0.54 C ATOM 1525 C GLU B 44 4.237 -12.785 -5.861 1.00 0.51 C ATOM 1526 O GLU B 44 3.058 -12.978 -5.565 1.00 0.50 O ATOM 1527 CB GLU B 44 5.448 -14.706 -6.949 1.00 0.68 C ATOM 1528 CG GLU B 44 6.747 -14.664 -6.163 1.00 1.20 C ATOM 1529 CD GLU B 44 7.318 -16.041 -5.910 1.00 1.65 C ATOM 1530 OE1 GLU B 44 7.946 -16.609 -6.826 1.00 2.20 O ATOM 1531 OE2 GLU B 44 7.139 -16.564 -4.789 1.00 2.36 O ATOM 0 H GLU B 44 6.683 -12.827 -7.968 1.00 0.49 H new ATOM 0 HA GLU B 44 3.985 -13.440 -7.876 1.00 0.54 H new ATOM 0 HB2 GLU B 44 4.738 -15.344 -6.423 1.00 0.68 H new ATOM 0 HB3 GLU B 44 5.636 -15.169 -7.918 1.00 0.68 H new ATOM 0 HG2 GLU B 44 7.478 -14.066 -6.708 1.00 1.20 H new ATOM 0 HG3 GLU B 44 6.574 -14.165 -5.209 1.00 1.20 H new ATOM 1538 N SER B 45 5.066 -12.077 -5.097 1.00 0.54 N ATOM 1539 CA SER B 45 4.622 -11.467 -3.850 1.00 0.59 C ATOM 1540 C SER B 45 3.614 -10.346 -4.111 1.00 0.55 C ATOM 1541 O SER B 45 2.638 -10.206 -3.374 1.00 0.58 O ATOM 1542 CB SER B 45 5.817 -10.933 -3.056 1.00 0.71 C ATOM 1543 OG SER B 45 6.700 -11.981 -2.693 1.00 1.04 O ATOM 0 H SER B 45 6.047 -11.913 -5.321 1.00 0.54 H new ATOM 0 HA SER B 45 4.126 -12.238 -3.260 1.00 0.59 H new ATOM 0 HB2 SER B 45 6.352 -10.193 -3.652 1.00 0.71 H new ATOM 0 HB3 SER B 45 5.463 -10.425 -2.159 1.00 0.71 H new ATOM 0 HG SER B 45 7.323 -12.154 -3.430 1.00 1.04 H new ATOM 1549 N LEU B 46 3.842 -9.555 -5.161 1.00 0.56 N ATOM 1550 CA LEU B 46 2.914 -8.485 -5.523 1.00 0.60 C ATOM 1551 C LEU B 46 1.557 -9.067 -5.869 1.00 0.50 C ATOM 1552 O LEU B 46 0.537 -8.605 -5.374 1.00 0.48 O ATOM 1553 CB LEU B 46 3.412 -7.667 -6.721 1.00 0.74 C ATOM 1554 CG LEU B 46 4.720 -6.896 -6.527 1.00 0.75 C ATOM 1555 CD1 LEU B 46 4.969 -5.949 -7.691 1.00 1.28 C ATOM 1556 CD2 LEU B 46 4.707 -6.127 -5.215 1.00 1.14 C ATOM 0 H LEU B 46 4.656 -9.635 -5.771 1.00 0.56 H new ATOM 0 HA LEU B 46 2.841 -7.824 -4.659 1.00 0.60 H new ATOM 0 HB2 LEU B 46 3.537 -8.343 -7.567 1.00 0.74 H new ATOM 0 HB3 LEU B 46 2.634 -6.955 -6.995 1.00 0.74 H new ATOM 0 HG LEU B 46 5.533 -7.622 -6.493 1.00 0.75 H new ATOM 0 HD11 LEU B 46 5.904 -5.413 -7.530 1.00 1.28 H new ATOM 0 HD12 LEU B 46 5.033 -6.520 -8.617 1.00 1.28 H new ATOM 0 HD13 LEU B 46 4.149 -5.235 -7.761 1.00 1.28 H new ATOM 0 HD21 LEU B 46 5.647 -5.587 -5.100 1.00 1.14 H new ATOM 0 HD22 LEU B 46 3.879 -5.418 -5.217 1.00 1.14 H new ATOM 0 HD23 LEU B 46 4.585 -6.824 -4.386 1.00 1.14 H new ATOM 1568 N GLU B 47 1.560 -10.091 -6.713 1.00 0.49 N ATOM 1569 CA GLU B 47 0.326 -10.716 -7.170 1.00 0.48 C ATOM 1570 C GLU B 47 -0.503 -11.215 -5.989 1.00 0.43 C ATOM 1571 O GLU B 47 -1.716 -10.996 -5.931 1.00 0.45 O ATOM 1572 CB GLU B 47 0.645 -11.864 -8.131 1.00 0.55 C ATOM 1573 CG GLU B 47 -0.586 -12.517 -8.734 1.00 0.81 C ATOM 1574 CD GLU B 47 -0.238 -13.517 -9.813 1.00 1.06 C ATOM 1575 OE1 GLU B 47 0.113 -14.666 -9.480 1.00 1.75 O ATOM 1576 OE2 GLU B 47 -0.308 -13.158 -11.006 1.00 1.52 O ATOM 0 H GLU B 47 2.408 -10.508 -7.096 1.00 0.49 H new ATOM 0 HA GLU B 47 -0.265 -9.969 -7.700 1.00 0.48 H new ATOM 0 HB2 GLU B 47 1.276 -11.487 -8.936 1.00 0.55 H new ATOM 0 HB3 GLU B 47 1.223 -12.620 -7.600 1.00 0.55 H new ATOM 0 HG2 GLU B 47 -1.151 -13.017 -7.947 1.00 0.81 H new ATOM 0 HG3 GLU B 47 -1.235 -11.747 -9.152 1.00 0.81 H new ATOM 1583 N VAL B 48 0.159 -11.864 -5.037 1.00 0.41 N ATOM 1584 CA VAL B 48 -0.514 -12.342 -3.838 1.00 0.42 C ATOM 1585 C VAL B 48 -0.994 -11.166 -2.991 1.00 0.41 C ATOM 1586 O VAL B 48 -2.136 -11.148 -2.530 1.00 0.43 O ATOM 1587 CB VAL B 48 0.405 -13.252 -2.990 1.00 0.45 C ATOM 1588 CG1 VAL B 48 -0.306 -13.723 -1.732 1.00 0.49 C ATOM 1589 CG2 VAL B 48 0.872 -14.448 -3.804 1.00 0.48 C ATOM 0 H VAL B 48 1.157 -12.070 -5.073 1.00 0.41 H new ATOM 0 HA VAL B 48 -1.372 -12.932 -4.161 1.00 0.42 H new ATOM 0 HB VAL B 48 1.275 -12.666 -2.695 1.00 0.45 H new ATOM 0 HG11 VAL B 48 0.362 -14.361 -1.154 1.00 0.49 H new ATOM 0 HG12 VAL B 48 -0.593 -12.860 -1.132 1.00 0.49 H new ATOM 0 HG13 VAL B 48 -1.198 -14.286 -2.007 1.00 0.49 H new ATOM 0 HG21 VAL B 48 1.517 -15.076 -3.190 1.00 0.48 H new ATOM 0 HG22 VAL B 48 0.007 -15.026 -4.131 1.00 0.48 H new ATOM 0 HG23 VAL B 48 1.427 -14.101 -4.676 1.00 0.48 H new ATOM 1599 N ALA B 49 -0.126 -10.172 -2.816 1.00 0.41 N ATOM 1600 CA ALA B 49 -0.452 -8.990 -2.024 1.00 0.43 C ATOM 1601 C ALA B 49 -1.655 -8.249 -2.599 1.00 0.43 C ATOM 1602 O ALA B 49 -2.523 -7.800 -1.855 1.00 0.48 O ATOM 1603 CB ALA B 49 0.747 -8.059 -1.939 1.00 0.44 C ATOM 0 H ALA B 49 0.813 -10.163 -3.215 1.00 0.41 H new ATOM 0 HA ALA B 49 -0.712 -9.325 -1.020 1.00 0.43 H new ATOM 0 HB1 ALA B 49 0.486 -7.183 -1.345 1.00 0.44 H new ATOM 0 HB2 ALA B 49 1.580 -8.581 -1.469 1.00 0.44 H new ATOM 0 HB3 ALA B 49 1.035 -7.744 -2.942 1.00 0.44 H new ATOM 1609 N ILE B 50 -1.697 -8.134 -3.923 1.00 0.40 N ATOM 1610 CA ILE B 50 -2.812 -7.492 -4.611 1.00 0.41 C ATOM 1611 C ILE B 50 -4.130 -8.158 -4.230 1.00 0.38 C ATOM 1612 O ILE B 50 -5.093 -7.488 -3.858 1.00 0.41 O ATOM 1613 CB ILE B 50 -2.633 -7.544 -6.150 1.00 0.43 C ATOM 1614 CG1 ILE B 50 -1.437 -6.688 -6.581 1.00 0.53 C ATOM 1615 CG2 ILE B 50 -3.900 -7.082 -6.860 1.00 0.47 C ATOM 1616 CD1 ILE B 50 -1.108 -6.797 -8.057 1.00 0.62 C ATOM 0 H ILE B 50 -0.966 -8.480 -4.545 1.00 0.40 H new ATOM 0 HA ILE B 50 -2.830 -6.448 -4.300 1.00 0.41 H new ATOM 0 HB ILE B 50 -2.441 -8.579 -6.434 1.00 0.43 H new ATOM 0 HG12 ILE B 50 -1.643 -5.645 -6.340 1.00 0.53 H new ATOM 0 HG13 ILE B 50 -0.563 -6.983 -6.000 1.00 0.53 H new ATOM 0 HG21 ILE B 50 -3.750 -7.127 -7.939 1.00 0.47 H new ATOM 0 HG22 ILE B 50 -4.730 -7.731 -6.582 1.00 0.47 H new ATOM 0 HG23 ILE B 50 -4.127 -6.057 -6.568 1.00 0.47 H new ATOM 0 HD11 ILE B 50 -0.251 -6.164 -8.287 1.00 0.62 H new ATOM 0 HD12 ILE B 50 -0.870 -7.832 -8.301 1.00 0.62 H new ATOM 0 HD13 ILE B 50 -1.966 -6.474 -8.646 1.00 0.62 H new ATOM 1628 N GLN B 51 -4.153 -9.484 -4.296 1.00 0.39 N ATOM 1629 CA GLN B 51 -5.354 -10.242 -3.977 1.00 0.43 C ATOM 1630 C GLN B 51 -5.685 -10.135 -2.489 1.00 0.43 C ATOM 1631 O GLN B 51 -6.851 -10.040 -2.109 1.00 0.47 O ATOM 1632 CB GLN B 51 -5.186 -11.709 -4.380 1.00 0.51 C ATOM 1633 CG GLN B 51 -4.932 -11.910 -5.867 1.00 0.78 C ATOM 1634 CD GLN B 51 -6.025 -11.313 -6.736 1.00 1.02 C ATOM 1635 OE1 GLN B 51 -7.019 -11.968 -7.047 1.00 1.84 O ATOM 1636 NE2 GLN B 51 -5.842 -10.067 -7.143 1.00 1.35 N ATOM 0 H GLN B 51 -3.353 -10.055 -4.568 1.00 0.39 H new ATOM 0 HA GLN B 51 -6.183 -9.818 -4.544 1.00 0.43 H new ATOM 0 HB2 GLN B 51 -4.357 -12.138 -3.818 1.00 0.51 H new ATOM 0 HB3 GLN B 51 -6.083 -12.260 -4.096 1.00 0.51 H new ATOM 0 HG2 GLN B 51 -3.976 -11.458 -6.132 1.00 0.78 H new ATOM 0 HG3 GLN B 51 -4.850 -12.977 -6.076 1.00 0.78 H new ATOM 0 HE21 GLN B 51 -5.004 -9.557 -6.863 1.00 1.35 H new ATOM 0 HE22 GLN B 51 -6.539 -9.617 -7.736 1.00 1.35 H new ATOM 1645 N CYS B 52 -4.650 -10.135 -1.656 1.00 0.45 N ATOM 1646 CA CYS B 52 -4.827 -10.016 -0.215 1.00 0.52 C ATOM 1647 C CYS B 52 -5.420 -8.658 0.151 1.00 0.53 C ATOM 1648 O CYS B 52 -6.378 -8.582 0.915 1.00 0.59 O ATOM 1649 CB CYS B 52 -3.496 -10.216 0.511 1.00 0.59 C ATOM 1650 SG CYS B 52 -2.756 -11.845 0.262 1.00 0.69 S ATOM 0 H CYS B 52 -3.678 -10.216 -1.956 1.00 0.45 H new ATOM 0 HA CYS B 52 -5.521 -10.795 0.101 1.00 0.52 H new ATOM 0 HB2 CYS B 52 -2.793 -9.454 0.174 1.00 0.59 H new ATOM 0 HB3 CYS B 52 -3.650 -10.058 1.579 1.00 0.59 H new ATOM 0 HG CYS B 52 -2.420 -11.983 -0.986 1.00 0.69 H new ATOM 1656 N LEU B 53 -4.859 -7.591 -0.412 1.00 0.49 N ATOM 1657 CA LEU B 53 -5.334 -6.239 -0.130 1.00 0.53 C ATOM 1658 C LEU B 53 -6.739 -6.035 -0.686 1.00 0.50 C ATOM 1659 O LEU B 53 -7.537 -5.283 -0.121 1.00 0.57 O ATOM 1660 CB LEU B 53 -4.378 -5.193 -0.712 1.00 0.63 C ATOM 1661 CG LEU B 53 -2.962 -5.204 -0.127 1.00 0.54 C ATOM 1662 CD1 LEU B 53 -2.097 -4.153 -0.804 1.00 0.76 C ATOM 1663 CD2 LEU B 53 -2.997 -4.974 1.379 1.00 0.61 C ATOM 0 H LEU B 53 -4.077 -7.636 -1.065 1.00 0.49 H new ATOM 0 HA LEU B 53 -5.366 -6.113 0.952 1.00 0.53 H new ATOM 0 HB2 LEU B 53 -4.310 -5.346 -1.789 1.00 0.63 H new ATOM 0 HB3 LEU B 53 -4.810 -4.204 -0.557 1.00 0.63 H new ATOM 0 HG LEU B 53 -2.525 -6.185 -0.313 1.00 0.54 H new ATOM 0 HD11 LEU B 53 -1.095 -4.175 -0.376 1.00 0.76 H new ATOM 0 HD12 LEU B 53 -2.040 -4.362 -1.872 1.00 0.76 H new ATOM 0 HD13 LEU B 53 -2.535 -3.167 -0.650 1.00 0.76 H new ATOM 0 HD21 LEU B 53 -1.981 -4.986 1.773 1.00 0.61 H new ATOM 0 HD22 LEU B 53 -3.456 -4.008 1.589 1.00 0.61 H new ATOM 0 HD23 LEU B 53 -3.579 -5.763 1.854 1.00 0.61 H new ATOM 1675 N GLU B 54 -7.034 -6.717 -1.787 1.00 0.46 N ATOM 1676 CA GLU B 54 -8.357 -6.672 -2.391 1.00 0.50 C ATOM 1677 C GLU B 54 -9.412 -7.147 -1.393 1.00 0.56 C ATOM 1678 O GLU B 54 -10.369 -6.430 -1.096 1.00 0.65 O ATOM 1679 CB GLU B 54 -8.390 -7.543 -3.649 1.00 0.55 C ATOM 1680 CG GLU B 54 -9.720 -7.513 -4.378 1.00 0.73 C ATOM 1681 CD GLU B 54 -9.773 -8.483 -5.535 1.00 1.06 C ATOM 1682 OE1 GLU B 54 -9.302 -8.132 -6.636 1.00 1.62 O ATOM 1683 OE2 GLU B 54 -10.298 -9.601 -5.352 1.00 1.66 O ATOM 0 H GLU B 54 -6.368 -7.311 -2.281 1.00 0.46 H new ATOM 0 HA GLU B 54 -8.580 -5.642 -2.669 1.00 0.50 H new ATOM 0 HB2 GLU B 54 -7.605 -7.212 -4.330 1.00 0.55 H new ATOM 0 HB3 GLU B 54 -8.160 -8.572 -3.373 1.00 0.55 H new ATOM 0 HG2 GLU B 54 -10.520 -7.748 -3.676 1.00 0.73 H new ATOM 0 HG3 GLU B 54 -9.905 -6.504 -4.746 1.00 0.73 H new ATOM 1690 N THR B 55 -9.214 -8.347 -0.861 1.00 0.61 N ATOM 1691 CA THR B 55 -10.127 -8.914 0.122 1.00 0.77 C ATOM 1692 C THR B 55 -10.031 -8.165 1.453 1.00 0.83 C ATOM 1693 O THR B 55 -11.010 -8.056 2.192 1.00 0.98 O ATOM 1694 CB THR B 55 -9.824 -10.413 0.340 1.00 0.95 C ATOM 1695 OG1 THR B 55 -9.862 -11.096 -0.920 1.00 0.99 O ATOM 1696 CG2 THR B 55 -10.828 -11.052 1.290 1.00 1.15 C ATOM 0 H THR B 55 -8.425 -8.949 -1.096 1.00 0.61 H new ATOM 0 HA THR B 55 -11.141 -8.809 -0.263 1.00 0.77 H new ATOM 0 HB THR B 55 -8.833 -10.497 0.785 1.00 0.95 H new ATOM 0 HG1 THR B 55 -9.668 -12.047 -0.783 1.00 0.99 H new ATOM 0 HG21 THR B 55 -10.585 -12.106 1.421 1.00 1.15 H new ATOM 0 HG22 THR B 55 -10.787 -10.548 2.256 1.00 1.15 H new ATOM 0 HG23 THR B 55 -11.832 -10.960 0.875 1.00 1.15 H new ATOM 1704 N ALA B 56 -8.848 -7.633 1.738 1.00 0.76 N ATOM 1705 CA ALA B 56 -8.600 -6.916 2.982 1.00 0.87 C ATOM 1706 C ALA B 56 -9.514 -5.707 3.129 1.00 0.88 C ATOM 1707 O ALA B 56 -10.317 -5.631 4.057 1.00 1.14 O ATOM 1708 CB ALA B 56 -7.150 -6.480 3.058 1.00 0.89 C ATOM 0 H ALA B 56 -8.040 -7.686 1.118 1.00 0.76 H new ATOM 0 HA ALA B 56 -8.816 -7.600 3.803 1.00 0.87 H new ATOM 0 HB1 ALA B 56 -6.979 -5.946 3.993 1.00 0.89 H new ATOM 0 HB2 ALA B 56 -6.504 -7.357 3.018 1.00 0.89 H new ATOM 0 HB3 ALA B 56 -6.923 -5.824 2.218 1.00 0.89 H new ATOM 1714 N PHE B 57 -9.395 -4.763 2.210 1.00 0.76 N ATOM 1715 CA PHE B 57 -10.185 -3.552 2.269 1.00 1.05 C ATOM 1716 C PHE B 57 -11.591 -3.795 1.734 1.00 1.57 C ATOM 1717 O PHE B 57 -12.485 -2.963 1.897 1.00 2.06 O ATOM 1718 CB PHE B 57 -9.504 -2.447 1.467 1.00 1.04 C ATOM 1719 CG PHE B 57 -8.190 -1.991 2.035 1.00 0.92 C ATOM 1720 CD1 PHE B 57 -7.015 -2.654 1.719 1.00 1.47 C ATOM 1721 CD2 PHE B 57 -8.126 -0.883 2.863 1.00 1.49 C ATOM 1722 CE1 PHE B 57 -5.802 -2.220 2.217 1.00 1.47 C ATOM 1723 CE2 PHE B 57 -6.916 -0.447 3.369 1.00 1.50 C ATOM 1724 CZ PHE B 57 -5.753 -1.115 3.042 1.00 0.92 C ATOM 0 H PHE B 57 -8.758 -4.815 1.415 1.00 0.76 H new ATOM 0 HA PHE B 57 -10.264 -3.243 3.311 1.00 1.05 H new ATOM 0 HB2 PHE B 57 -9.343 -2.800 0.448 1.00 1.04 H new ATOM 0 HB3 PHE B 57 -10.177 -1.591 1.406 1.00 1.04 H new ATOM 0 HD1 PHE B 57 -7.048 -3.521 1.075 1.00 1.47 H new ATOM 0 HD2 PHE B 57 -9.032 -0.353 3.116 1.00 1.49 H new ATOM 0 HE1 PHE B 57 -4.893 -2.745 1.961 1.00 1.47 H new ATOM 0 HE2 PHE B 57 -6.880 0.415 4.019 1.00 1.50 H new ATOM 0 HZ PHE B 57 -4.806 -0.773 3.432 1.00 0.92 H new ATOM 1734 N GLY B 58 -11.774 -4.950 1.103 1.00 1.71 N ATOM 1735 CA GLY B 58 -13.050 -5.284 0.510 1.00 2.29 C ATOM 1736 C GLY B 58 -13.296 -4.490 -0.751 1.00 2.05 C ATOM 1737 O GLY B 58 -14.414 -4.056 -1.017 1.00 2.60 O ATOM 0 H GLY B 58 -11.054 -5.664 0.993 1.00 1.71 H new ATOM 0 HA2 GLY B 58 -13.079 -6.350 0.282 1.00 2.29 H new ATOM 0 HA3 GLY B 58 -13.848 -5.089 1.226 1.00 2.29 H new ATOM 1741 N VAL B 59 -12.241 -4.303 -1.529 1.00 1.35 N ATOM 1742 CA VAL B 59 -12.308 -3.467 -2.714 1.00 1.13 C ATOM 1743 C VAL B 59 -12.425 -4.303 -3.976 1.00 1.04 C ATOM 1744 O VAL B 59 -12.047 -5.474 -4.000 1.00 1.22 O ATOM 1745 CB VAL B 59 -11.081 -2.538 -2.829 1.00 0.93 C ATOM 1746 CG1 VAL B 59 -11.046 -1.572 -1.665 1.00 1.23 C ATOM 1747 CG2 VAL B 59 -9.785 -3.334 -2.889 1.00 1.00 C ATOM 0 H VAL B 59 -11.326 -4.721 -1.359 1.00 1.35 H new ATOM 0 HA VAL B 59 -13.203 -2.853 -2.609 1.00 1.13 H new ATOM 0 HB VAL B 59 -11.173 -1.976 -3.758 1.00 0.93 H new ATOM 0 HG11 VAL B 59 -10.176 -0.922 -1.758 1.00 1.23 H new ATOM 0 HG12 VAL B 59 -11.953 -0.967 -1.667 1.00 1.23 H new ATOM 0 HG13 VAL B 59 -10.984 -2.130 -0.731 1.00 1.23 H new ATOM 0 HG21 VAL B 59 -8.941 -2.649 -2.970 1.00 1.00 H new ATOM 0 HG22 VAL B 59 -9.682 -3.931 -1.983 1.00 1.00 H new ATOM 0 HG23 VAL B 59 -9.802 -3.992 -3.757 1.00 1.00 H new ATOM 1757 N THR B 60 -12.977 -3.695 -5.009 1.00 1.17 N ATOM 1758 CA THR B 60 -13.118 -4.336 -6.302 1.00 1.30 C ATOM 1759 C THR B 60 -12.849 -3.326 -7.411 1.00 1.16 C ATOM 1760 O THR B 60 -12.431 -2.199 -7.136 1.00 1.14 O ATOM 1761 CB THR B 60 -14.528 -4.930 -6.487 1.00 1.94 C ATOM 1762 OG1 THR B 60 -15.516 -3.932 -6.199 1.00 2.24 O ATOM 1763 CG2 THR B 60 -14.747 -6.140 -5.592 1.00 2.38 C ATOM 0 H THR B 60 -13.340 -2.742 -4.975 1.00 1.17 H new ATOM 0 HA THR B 60 -12.394 -5.149 -6.352 1.00 1.30 H new ATOM 0 HB THR B 60 -14.621 -5.256 -7.523 1.00 1.94 H new ATOM 0 HG1 THR B 60 -16.402 -4.350 -6.163 1.00 2.24 H new ATOM 0 HG21 THR B 60 -15.752 -6.532 -5.750 1.00 2.38 H new ATOM 0 HG22 THR B 60 -14.015 -6.910 -5.835 1.00 2.38 H new ATOM 0 HG23 THR B 60 -14.632 -5.846 -4.549 1.00 2.38 H new ATOM 1771 N VAL B 61 -13.106 -3.710 -8.653 1.00 1.40 N ATOM 1772 CA VAL B 61 -12.946 -2.800 -9.782 1.00 1.59 C ATOM 1773 C VAL B 61 -13.998 -1.675 -9.731 1.00 1.83 C ATOM 1774 O VAL B 61 -13.922 -0.688 -10.465 1.00 2.11 O ATOM 1775 CB VAL B 61 -13.020 -3.570 -11.121 1.00 1.80 C ATOM 1776 CG1 VAL B 61 -14.399 -4.177 -11.325 1.00 2.21 C ATOM 1777 CG2 VAL B 61 -12.639 -2.679 -12.294 1.00 1.95 C ATOM 0 H VAL B 61 -13.426 -4.645 -8.906 1.00 1.40 H new ATOM 0 HA VAL B 61 -11.960 -2.340 -9.713 1.00 1.59 H new ATOM 0 HB VAL B 61 -12.296 -4.384 -11.074 1.00 1.80 H new ATOM 0 HG11 VAL B 61 -14.424 -4.713 -12.274 1.00 2.21 H new ATOM 0 HG12 VAL B 61 -14.616 -4.869 -10.512 1.00 2.21 H new ATOM 0 HG13 VAL B 61 -15.147 -3.385 -11.336 1.00 2.21 H new ATOM 0 HG21 VAL B 61 -12.701 -3.250 -13.220 1.00 1.95 H new ATOM 0 HG22 VAL B 61 -13.322 -1.831 -12.344 1.00 1.95 H new ATOM 0 HG23 VAL B 61 -11.620 -2.316 -12.159 1.00 1.95 H new ATOM 1787 N GLU B 62 -14.964 -1.809 -8.828 1.00 1.89 N ATOM 1788 CA GLU B 62 -15.949 -0.757 -8.606 1.00 2.15 C ATOM 1789 C GLU B 62 -15.257 0.513 -8.116 1.00 1.63 C ATOM 1790 O GLU B 62 -15.721 1.633 -8.361 1.00 1.65 O ATOM 1791 CB GLU B 62 -16.996 -1.211 -7.590 1.00 2.86 C ATOM 1792 CG GLU B 62 -17.756 -2.454 -8.020 1.00 3.13 C ATOM 1793 CD GLU B 62 -18.462 -2.268 -9.345 1.00 3.56 C ATOM 1794 OE1 GLU B 62 -19.565 -1.684 -9.358 1.00 3.97 O ATOM 1795 OE2 GLU B 62 -17.917 -2.701 -10.378 1.00 4.00 O ATOM 0 H GLU B 62 -15.086 -2.633 -8.240 1.00 1.89 H new ATOM 0 HA GLU B 62 -16.451 -0.545 -9.550 1.00 2.15 H new ATOM 0 HB2 GLU B 62 -16.505 -1.406 -6.636 1.00 2.86 H new ATOM 0 HB3 GLU B 62 -17.705 -0.400 -7.423 1.00 2.86 H new ATOM 0 HG2 GLU B 62 -17.063 -3.292 -8.095 1.00 3.13 H new ATOM 0 HG3 GLU B 62 -18.488 -2.712 -7.254 1.00 3.13 H new ATOM 1802 N ASP B 63 -14.125 0.328 -7.441 1.00 1.36 N ATOM 1803 CA ASP B 63 -13.336 1.451 -6.958 1.00 1.61 C ATOM 1804 C ASP B 63 -12.702 2.174 -8.144 1.00 1.59 C ATOM 1805 O ASP B 63 -12.388 3.355 -8.073 1.00 1.93 O ATOM 1806 CB ASP B 63 -12.253 0.981 -5.981 1.00 1.89 C ATOM 1807 CG ASP B 63 -11.748 2.104 -5.087 1.00 2.88 C ATOM 1808 OD1 ASP B 63 -10.891 2.891 -5.530 1.00 3.62 O ATOM 1809 OD2 ASP B 63 -12.222 2.201 -3.934 1.00 3.35 O ATOM 0 H ASP B 63 -13.737 -0.588 -7.218 1.00 1.36 H new ATOM 0 HA ASP B 63 -13.993 2.137 -6.424 1.00 1.61 H new ATOM 0 HB2 ASP B 63 -12.651 0.178 -5.361 1.00 1.89 H new ATOM 0 HB3 ASP B 63 -11.417 0.564 -6.543 1.00 1.89 H new ATOM 1814 N SER B 64 -12.558 1.453 -9.255 1.00 1.56 N ATOM 1815 CA SER B 64 -12.007 2.023 -10.475 1.00 1.82 C ATOM 1816 C SER B 64 -13.001 2.998 -11.089 1.00 1.73 C ATOM 1817 O SER B 64 -12.618 3.989 -11.713 1.00 1.91 O ATOM 1818 CB SER B 64 -11.665 0.922 -11.484 1.00 2.42 C ATOM 1819 OG SER B 64 -10.847 1.421 -12.529 1.00 2.92 O ATOM 0 H SER B 64 -12.818 0.470 -9.331 1.00 1.56 H new ATOM 0 HA SER B 64 -11.090 2.555 -10.222 1.00 1.82 H new ATOM 0 HB2 SER B 64 -11.152 0.105 -10.976 1.00 2.42 H new ATOM 0 HB3 SER B 64 -12.583 0.510 -11.902 1.00 2.42 H new ATOM 0 HG SER B 64 -9.975 1.682 -12.166 1.00 2.92 H new ATOM 1825 N ASP B 65 -14.284 2.714 -10.909 1.00 1.68 N ATOM 1826 CA ASP B 65 -15.330 3.616 -11.383 1.00 2.03 C ATOM 1827 C ASP B 65 -15.324 4.916 -10.590 1.00 1.91 C ATOM 1828 O ASP B 65 -15.701 5.966 -11.103 1.00 2.28 O ATOM 1829 CB ASP B 65 -16.707 2.961 -11.298 1.00 2.26 C ATOM 1830 CG ASP B 65 -16.886 1.851 -12.310 1.00 2.89 C ATOM 1831 OD1 ASP B 65 -17.007 2.155 -13.515 1.00 3.35 O ATOM 1832 OD2 ASP B 65 -16.922 0.671 -11.904 1.00 3.46 O ATOM 0 H ASP B 65 -14.626 1.874 -10.442 1.00 1.68 H new ATOM 0 HA ASP B 65 -15.119 3.840 -12.429 1.00 2.03 H new ATOM 0 HB2 ASP B 65 -16.854 2.560 -10.295 1.00 2.26 H new ATOM 0 HB3 ASP B 65 -17.476 3.718 -11.454 1.00 2.26 H new ATOM 1837 N LEU B 66 -14.895 4.843 -9.336 1.00 1.52 N ATOM 1838 CA LEU B 66 -14.771 6.037 -8.500 1.00 1.62 C ATOM 1839 C LEU B 66 -13.303 6.428 -8.322 1.00 1.45 C ATOM 1840 O LEU B 66 -12.941 7.115 -7.364 1.00 1.72 O ATOM 1841 CB LEU B 66 -15.445 5.807 -7.138 1.00 1.77 C ATOM 1842 CG LEU B 66 -14.984 4.569 -6.366 1.00 1.59 C ATOM 1843 CD1 LEU B 66 -13.796 4.886 -5.473 1.00 1.87 C ATOM 1844 CD2 LEU B 66 -16.122 3.999 -5.543 1.00 1.57 C ATOM 0 H LEU B 66 -14.627 3.974 -8.874 1.00 1.52 H new ATOM 0 HA LEU B 66 -15.278 6.862 -9.001 1.00 1.62 H new ATOM 0 HB2 LEU B 66 -15.272 6.685 -6.516 1.00 1.77 H new ATOM 0 HB3 LEU B 66 -16.521 5.734 -7.294 1.00 1.77 H new ATOM 0 HG LEU B 66 -14.669 3.822 -7.095 1.00 1.59 H new ATOM 0 HD11 LEU B 66 -13.492 3.986 -4.938 1.00 1.87 H new ATOM 0 HD12 LEU B 66 -12.966 5.242 -6.084 1.00 1.87 H new ATOM 0 HD13 LEU B 66 -14.076 5.657 -4.756 1.00 1.87 H new ATOM 0 HD21 LEU B 66 -15.774 3.119 -5.001 1.00 1.57 H new ATOM 0 HD22 LEU B 66 -16.468 4.749 -4.832 1.00 1.57 H new ATOM 0 HD23 LEU B 66 -16.943 3.718 -6.203 1.00 1.57 H new ATOM 1856 N ALA B 67 -12.470 5.995 -9.262 1.00 1.30 N ATOM 1857 CA ALA B 67 -11.030 6.208 -9.183 1.00 1.26 C ATOM 1858 C ALA B 67 -10.665 7.685 -9.198 1.00 1.28 C ATOM 1859 O ALA B 67 -11.309 8.497 -9.865 1.00 1.54 O ATOM 1860 CB ALA B 67 -10.335 5.503 -10.330 1.00 1.48 C ATOM 0 H ALA B 67 -12.772 5.490 -10.095 1.00 1.30 H new ATOM 0 HA ALA B 67 -10.695 5.792 -8.233 1.00 1.26 H new ATOM 0 HB1 ALA B 67 -9.260 5.669 -10.261 1.00 1.48 H new ATOM 0 HB2 ALA B 67 -10.541 4.434 -10.279 1.00 1.48 H new ATOM 0 HB3 ALA B 67 -10.703 5.898 -11.277 1.00 1.48 H new ATOM 1866 N LEU B 68 -9.621 8.015 -8.455 1.00 1.16 N ATOM 1867 CA LEU B 68 -9.079 9.363 -8.438 1.00 1.29 C ATOM 1868 C LEU B 68 -8.353 9.646 -9.751 1.00 1.56 C ATOM 1869 O LEU B 68 -7.912 8.711 -10.420 1.00 1.55 O ATOM 1870 CB LEU B 68 -8.136 9.520 -7.242 1.00 1.25 C ATOM 1871 CG LEU B 68 -8.824 9.463 -5.874 1.00 1.19 C ATOM 1872 CD1 LEU B 68 -7.797 9.394 -4.758 1.00 1.21 C ATOM 1873 CD2 LEU B 68 -9.728 10.671 -5.682 1.00 1.18 C ATOM 0 H LEU B 68 -9.128 7.359 -7.849 1.00 1.16 H new ATOM 0 HA LEU B 68 -9.889 10.085 -8.336 1.00 1.29 H new ATOM 0 HB2 LEU B 68 -7.380 8.736 -7.287 1.00 1.25 H new ATOM 0 HB3 LEU B 68 -7.613 10.472 -7.331 1.00 1.25 H new ATOM 0 HG LEU B 68 -9.434 8.560 -5.838 1.00 1.19 H new ATOM 0 HD11 LEU B 68 -8.307 9.354 -3.796 1.00 1.21 H new ATOM 0 HD12 LEU B 68 -7.185 8.500 -4.881 1.00 1.21 H new ATOM 0 HD13 LEU B 68 -7.160 10.278 -4.795 1.00 1.21 H new ATOM 0 HD21 LEU B 68 -10.209 10.614 -4.705 1.00 1.18 H new ATOM 0 HD22 LEU B 68 -9.134 11.583 -5.742 1.00 1.18 H new ATOM 0 HD23 LEU B 68 -10.490 10.683 -6.461 1.00 1.18 H new ATOM 1885 N PRO B 69 -8.235 10.930 -10.139 1.00 1.93 N ATOM 1886 CA PRO B 69 -7.682 11.346 -11.438 1.00 2.36 C ATOM 1887 C PRO B 69 -6.398 10.614 -11.825 1.00 2.25 C ATOM 1888 O PRO B 69 -6.273 10.120 -12.945 1.00 2.62 O ATOM 1889 CB PRO B 69 -7.402 12.848 -11.255 1.00 2.75 C ATOM 1890 CG PRO B 69 -7.656 13.138 -9.812 1.00 2.57 C ATOM 1891 CD PRO B 69 -8.631 12.100 -9.347 1.00 2.06 C ATOM 0 HA PRO B 69 -8.379 11.115 -12.244 1.00 2.36 H new ATOM 0 HB2 PRO B 69 -6.375 13.090 -11.527 1.00 2.75 H new ATOM 0 HB3 PRO B 69 -8.051 13.447 -11.894 1.00 2.75 H new ATOM 0 HG2 PRO B 69 -6.732 13.091 -9.236 1.00 2.57 H new ATOM 0 HG3 PRO B 69 -8.062 14.141 -9.681 1.00 2.57 H new ATOM 0 HD2 PRO B 69 -8.549 11.914 -8.276 1.00 2.06 H new ATOM 0 HD3 PRO B 69 -9.663 12.394 -9.541 1.00 2.06 H new ATOM 1899 N GLN B 70 -5.456 10.535 -10.899 1.00 1.85 N ATOM 1900 CA GLN B 70 -4.177 9.903 -11.174 1.00 1.82 C ATOM 1901 C GLN B 70 -3.947 8.739 -10.225 1.00 1.41 C ATOM 1902 O GLN B 70 -4.687 8.567 -9.255 1.00 1.29 O ATOM 1903 CB GLN B 70 -3.038 10.914 -11.035 1.00 1.93 C ATOM 1904 CG GLN B 70 -2.804 11.390 -9.607 1.00 1.65 C ATOM 1905 CD GLN B 70 -1.725 12.444 -9.526 1.00 2.18 C ATOM 1906 OE1 GLN B 70 -2.001 13.640 -9.598 1.00 2.66 O ATOM 1907 NE2 GLN B 70 -0.485 12.008 -9.389 1.00 2.76 N ATOM 0 H GLN B 70 -5.553 10.900 -9.952 1.00 1.85 H new ATOM 0 HA GLN B 70 -4.195 9.530 -12.198 1.00 1.82 H new ATOM 0 HB2 GLN B 70 -2.119 10.465 -11.413 1.00 1.93 H new ATOM 0 HB3 GLN B 70 -3.253 11.777 -11.664 1.00 1.93 H new ATOM 0 HG2 GLN B 70 -3.733 11.792 -9.203 1.00 1.65 H new ATOM 0 HG3 GLN B 70 -2.527 10.540 -8.983 1.00 1.65 H new ATOM 0 HE21 GLN B 70 -0.300 11.007 -9.333 1.00 2.76 H new ATOM 0 HE22 GLN B 70 0.287 12.673 -9.339 1.00 2.76 H new ATOM 1916 N THR B 71 -2.923 7.944 -10.503 1.00 1.34 N ATOM 1917 CA THR B 71 -2.557 6.870 -9.607 1.00 1.13 C ATOM 1918 C THR B 71 -1.969 7.451 -8.327 1.00 0.85 C ATOM 1919 O THR B 71 -1.236 8.444 -8.351 1.00 0.83 O ATOM 1920 CB THR B 71 -1.537 5.936 -10.286 1.00 1.22 C ATOM 1921 OG1 THR B 71 -0.677 6.704 -11.139 1.00 1.53 O ATOM 1922 CG2 THR B 71 -2.244 4.861 -11.096 1.00 1.55 C ATOM 0 H THR B 71 -2.339 8.025 -11.335 1.00 1.34 H new ATOM 0 HA THR B 71 -3.447 6.290 -9.360 1.00 1.13 H new ATOM 0 HB THR B 71 -0.944 5.447 -9.513 1.00 1.22 H new ATOM 0 HG1 THR B 71 -0.027 6.110 -11.569 1.00 1.53 H new ATOM 0 HG21 THR B 71 -1.504 4.214 -11.566 1.00 1.55 H new ATOM 0 HG22 THR B 71 -2.879 4.268 -10.438 1.00 1.55 H new ATOM 0 HG23 THR B 71 -2.857 5.330 -11.866 1.00 1.55 H new ATOM 1930 N LEU B 72 -2.268 6.804 -7.214 1.00 0.80 N ATOM 1931 CA LEU B 72 -1.921 7.338 -5.912 1.00 0.66 C ATOM 1932 C LEU B 72 -0.482 7.050 -5.491 1.00 0.66 C ATOM 1933 O LEU B 72 0.109 7.890 -4.830 1.00 0.67 O ATOM 1934 CB LEU B 72 -2.917 6.878 -4.847 1.00 0.78 C ATOM 1935 CG LEU B 72 -4.282 7.577 -4.910 1.00 0.97 C ATOM 1936 CD1 LEU B 72 -4.101 9.087 -4.951 1.00 1.47 C ATOM 1937 CD2 LEU B 72 -5.094 7.116 -6.113 1.00 1.79 C ATOM 0 H LEU B 72 -2.751 5.906 -7.188 1.00 0.80 H new ATOM 0 HA LEU B 72 -1.986 8.422 -6.005 1.00 0.66 H new ATOM 0 HB2 LEU B 72 -3.068 5.803 -4.948 1.00 0.78 H new ATOM 0 HB3 LEU B 72 -2.481 7.047 -3.862 1.00 0.78 H new ATOM 0 HG LEU B 72 -4.833 7.305 -4.010 1.00 0.97 H new ATOM 0 HD11 LEU B 72 -5.077 9.569 -4.996 1.00 1.47 H new ATOM 0 HD12 LEU B 72 -3.575 9.415 -4.054 1.00 1.47 H new ATOM 0 HD13 LEU B 72 -3.521 9.360 -5.832 1.00 1.47 H new ATOM 0 HD21 LEU B 72 -6.054 7.633 -6.124 1.00 1.79 H new ATOM 0 HD22 LEU B 72 -4.549 7.344 -7.029 1.00 1.79 H new ATOM 0 HD23 LEU B 72 -5.261 6.041 -6.049 1.00 1.79 H new ATOM 1949 N PRO B 73 0.119 5.883 -5.824 1.00 0.75 N ATOM 1950 CA PRO B 73 1.550 5.657 -5.567 1.00 0.84 C ATOM 1951 C PRO B 73 2.425 6.819 -6.045 1.00 0.80 C ATOM 1952 O PRO B 73 3.417 7.163 -5.401 1.00 0.82 O ATOM 1953 CB PRO B 73 1.844 4.387 -6.356 1.00 1.03 C ATOM 1954 CG PRO B 73 0.563 3.634 -6.304 1.00 1.06 C ATOM 1955 CD PRO B 73 -0.520 4.674 -6.393 1.00 0.84 C ATOM 0 HA PRO B 73 1.770 5.573 -4.503 1.00 0.84 H new ATOM 0 HB2 PRO B 73 2.135 4.612 -7.382 1.00 1.03 H new ATOM 0 HB3 PRO B 73 2.661 3.819 -5.910 1.00 1.03 H new ATOM 0 HG2 PRO B 73 0.492 2.923 -7.127 1.00 1.06 H new ATOM 0 HG3 PRO B 73 0.482 3.061 -5.380 1.00 1.06 H new ATOM 0 HD2 PRO B 73 -0.839 4.835 -7.423 1.00 0.84 H new ATOM 0 HD3 PRO B 73 -1.405 4.383 -5.827 1.00 0.84 H new ATOM 1963 N GLU B 74 2.034 7.437 -7.158 1.00 0.78 N ATOM 1964 CA GLU B 74 2.739 8.605 -7.676 1.00 0.78 C ATOM 1965 C GLU B 74 2.559 9.792 -6.728 1.00 0.64 C ATOM 1966 O GLU B 74 3.515 10.510 -6.424 1.00 0.64 O ATOM 1967 CB GLU B 74 2.224 8.958 -9.071 1.00 0.86 C ATOM 1968 CG GLU B 74 3.048 10.023 -9.772 1.00 1.21 C ATOM 1969 CD GLU B 74 2.517 10.360 -11.146 1.00 1.47 C ATOM 1970 OE1 GLU B 74 2.682 9.537 -12.072 1.00 1.67 O ATOM 1971 OE2 GLU B 74 1.935 11.452 -11.311 1.00 2.27 O ATOM 0 H GLU B 74 1.232 7.147 -7.718 1.00 0.78 H new ATOM 0 HA GLU B 74 3.801 8.371 -7.746 1.00 0.78 H new ATOM 0 HB2 GLU B 74 2.213 8.057 -9.684 1.00 0.86 H new ATOM 0 HB3 GLU B 74 1.193 9.302 -8.992 1.00 0.86 H new ATOM 0 HG2 GLU B 74 3.063 10.926 -9.161 1.00 1.21 H new ATOM 0 HG3 GLU B 74 4.079 9.680 -9.859 1.00 1.21 H new ATOM 1978 N ILE B 75 1.326 9.982 -6.259 1.00 0.58 N ATOM 1979 CA ILE B 75 1.028 10.990 -5.244 1.00 0.53 C ATOM 1980 C ILE B 75 1.850 10.733 -3.991 1.00 0.49 C ATOM 1981 O ILE B 75 2.374 11.660 -3.374 1.00 0.53 O ATOM 1982 CB ILE B 75 -0.478 10.995 -4.872 1.00 0.60 C ATOM 1983 CG1 ILE B 75 -1.304 11.636 -5.984 1.00 0.74 C ATOM 1984 CG2 ILE B 75 -0.724 11.714 -3.547 1.00 0.68 C ATOM 1985 CD1 ILE B 75 -1.020 13.107 -6.160 1.00 1.37 C ATOM 0 H ILE B 75 0.514 9.448 -6.568 1.00 0.58 H new ATOM 0 HA ILE B 75 1.285 11.963 -5.664 1.00 0.53 H new ATOM 0 HB ILE B 75 -0.792 9.958 -4.754 1.00 0.60 H new ATOM 0 HG12 ILE B 75 -1.103 11.119 -6.922 1.00 0.74 H new ATOM 0 HG13 ILE B 75 -2.363 11.500 -5.766 1.00 0.74 H new ATOM 0 HG21 ILE B 75 -1.789 11.699 -3.317 1.00 0.68 H new ATOM 0 HG22 ILE B 75 -0.174 11.210 -2.752 1.00 0.68 H new ATOM 0 HG23 ILE B 75 -0.384 12.747 -3.625 1.00 0.68 H new ATOM 0 HD11 ILE B 75 -1.639 13.503 -6.965 1.00 1.37 H new ATOM 0 HD12 ILE B 75 -1.248 13.635 -5.234 1.00 1.37 H new ATOM 0 HD13 ILE B 75 0.032 13.247 -6.408 1.00 1.37 H new ATOM 1997 N PHE B 76 1.973 9.463 -3.632 1.00 0.50 N ATOM 1998 CA PHE B 76 2.702 9.075 -2.439 1.00 0.56 C ATOM 1999 C PHE B 76 4.164 9.489 -2.551 1.00 0.59 C ATOM 2000 O PHE B 76 4.733 10.025 -1.608 1.00 0.72 O ATOM 2001 CB PHE B 76 2.595 7.565 -2.196 1.00 0.65 C ATOM 2002 CG PHE B 76 1.182 7.052 -2.080 1.00 2.06 C ATOM 2003 CD1 PHE B 76 0.129 7.911 -1.801 1.00 2.34 C ATOM 2004 CD2 PHE B 76 0.912 5.704 -2.250 1.00 2.12 C ATOM 2005 CE1 PHE B 76 -1.162 7.436 -1.700 1.00 2.35 C ATOM 2006 CE2 PHE B 76 -0.379 5.224 -2.148 1.00 2.24 C ATOM 2007 CZ PHE B 76 -1.417 6.092 -1.874 1.00 2.37 C ATOM 0 H PHE B 76 1.574 8.683 -4.154 1.00 0.50 H new ATOM 0 HA PHE B 76 2.255 9.589 -1.588 1.00 0.56 H new ATOM 0 HB2 PHE B 76 3.093 7.042 -3.012 1.00 0.65 H new ATOM 0 HB3 PHE B 76 3.135 7.317 -1.282 1.00 0.65 H new ATOM 0 HD1 PHE B 76 0.322 8.964 -1.661 1.00 2.34 H new ATOM 0 HD2 PHE B 76 1.720 5.021 -2.465 1.00 2.12 H new ATOM 0 HE1 PHE B 76 -1.973 8.116 -1.485 1.00 2.35 H new ATOM 0 HE2 PHE B 76 -0.576 4.171 -2.282 1.00 2.24 H new ATOM 0 HZ PHE B 76 -2.428 5.719 -1.796 1.00 2.37 H new ATOM 2017 N GLU B 77 4.757 9.273 -3.718 1.00 0.62 N ATOM 2018 CA GLU B 77 6.153 9.635 -3.942 1.00 0.73 C ATOM 2019 C GLU B 77 6.361 11.141 -3.781 1.00 0.69 C ATOM 2020 O GLU B 77 7.452 11.593 -3.435 1.00 0.79 O ATOM 2021 CB GLU B 77 6.610 9.189 -5.331 1.00 0.89 C ATOM 2022 CG GLU B 77 6.520 7.689 -5.552 1.00 1.56 C ATOM 2023 CD GLU B 77 7.068 7.267 -6.898 1.00 1.93 C ATOM 2024 OE1 GLU B 77 6.366 7.448 -7.913 1.00 2.40 O ATOM 2025 OE2 GLU B 77 8.203 6.754 -6.950 1.00 2.51 O ATOM 0 H GLU B 77 4.295 8.850 -4.523 1.00 0.62 H new ATOM 0 HA GLU B 77 6.755 9.121 -3.192 1.00 0.73 H new ATOM 0 HB2 GLU B 77 6.004 9.695 -6.083 1.00 0.89 H new ATOM 0 HB3 GLU B 77 7.641 9.509 -5.484 1.00 0.89 H new ATOM 0 HG2 GLU B 77 7.069 7.175 -4.763 1.00 1.56 H new ATOM 0 HG3 GLU B 77 5.479 7.375 -5.473 1.00 1.56 H new ATOM 2032 N ALA B 78 5.310 11.909 -4.031 1.00 0.60 N ATOM 2033 CA ALA B 78 5.377 13.359 -3.915 1.00 0.61 C ATOM 2034 C ALA B 78 5.077 13.834 -2.493 1.00 0.60 C ATOM 2035 O ALA B 78 5.821 14.633 -1.927 1.00 0.64 O ATOM 2036 CB ALA B 78 4.413 14.007 -4.896 1.00 0.64 C ATOM 0 H ALA B 78 4.398 11.551 -4.316 1.00 0.60 H new ATOM 0 HA ALA B 78 6.397 13.660 -4.154 1.00 0.61 H new ATOM 0 HB1 ALA B 78 4.471 15.091 -4.801 1.00 0.64 H new ATOM 0 HB2 ALA B 78 4.679 13.717 -5.913 1.00 0.64 H new ATOM 0 HB3 ALA B 78 3.397 13.678 -4.679 1.00 0.64 H new ATOM 2042 N ALA B 79 3.989 13.334 -1.923 1.00 0.64 N ATOM 2043 CA ALA B 79 3.502 13.820 -0.636 1.00 0.75 C ATOM 2044 C ALA B 79 4.195 13.145 0.539 1.00 0.86 C ATOM 2045 O ALA B 79 4.604 13.816 1.489 1.00 0.99 O ATOM 2046 CB ALA B 79 1.999 13.613 -0.533 1.00 0.83 C ATOM 0 H ALA B 79 3.424 12.590 -2.332 1.00 0.64 H new ATOM 0 HA ALA B 79 3.734 14.884 -0.587 1.00 0.75 H new ATOM 0 HB1 ALA B 79 1.647 13.979 0.431 1.00 0.83 H new ATOM 0 HB2 ALA B 79 1.501 14.160 -1.333 1.00 0.83 H new ATOM 0 HB3 ALA B 79 1.771 12.551 -0.623 1.00 0.83 H new ATOM 2052 N ALA B 80 4.333 11.827 0.467 1.00 0.90 N ATOM 2053 CA ALA B 80 4.795 11.036 1.603 1.00 1.11 C ATOM 2054 C ALA B 80 6.224 11.388 1.999 1.00 1.26 C ATOM 2055 O ALA B 80 6.461 11.914 3.084 1.00 1.55 O ATOM 2056 CB ALA B 80 4.676 9.553 1.284 1.00 1.25 C ATOM 0 H ALA B 80 4.131 11.280 -0.370 1.00 0.90 H new ATOM 0 HA ALA B 80 4.159 11.272 2.456 1.00 1.11 H new ATOM 0 HB1 ALA B 80 5.023 8.969 2.136 1.00 1.25 H new ATOM 0 HB2 ALA B 80 3.635 9.308 1.075 1.00 1.25 H new ATOM 0 HB3 ALA B 80 5.286 9.318 0.411 1.00 1.25 H new ATOM 2062 N THR B 81 7.172 11.134 1.109 1.00 1.23 N ATOM 2063 CA THR B 81 8.570 11.414 1.400 1.00 1.46 C ATOM 2064 C THR B 81 8.915 12.858 1.044 1.00 1.63 C ATOM 2065 O THR B 81 10.073 13.279 1.144 1.00 1.88 O ATOM 2066 CB THR B 81 9.516 10.445 0.651 1.00 1.59 C ATOM 2067 OG1 THR B 81 10.851 10.561 1.161 1.00 2.33 O ATOM 2068 CG2 THR B 81 9.518 10.731 -0.844 1.00 1.64 C ATOM 0 H THR B 81 7.000 10.737 0.185 1.00 1.23 H new ATOM 0 HA THR B 81 8.714 11.266 2.470 1.00 1.46 H new ATOM 0 HB THR B 81 9.152 9.430 0.813 1.00 1.59 H new ATOM 0 HG1 THR B 81 11.084 11.508 1.255 1.00 2.33 H new ATOM 0 HG21 THR B 81 10.191 10.036 -1.346 1.00 1.64 H new ATOM 0 HG22 THR B 81 8.509 10.609 -1.239 1.00 1.64 H new ATOM 0 HG23 THR B 81 9.855 11.753 -1.019 1.00 1.64 H new ATOM 2076 N GLY B 82 7.904 13.617 0.642 1.00 1.68 N ATOM 2077 CA GLY B 82 8.112 14.997 0.261 1.00 2.13 C ATOM 2078 C GLY B 82 8.207 15.916 1.461 1.00 1.99 C ATOM 2079 O GLY B 82 8.770 17.008 1.371 1.00 2.59 O ATOM 0 H GLY B 82 6.938 13.297 0.573 1.00 1.68 H new ATOM 0 HA2 GLY B 82 9.026 15.075 -0.327 1.00 2.13 H new ATOM 0 HA3 GLY B 82 7.292 15.322 -0.379 1.00 2.13 H new ATOM 2083 N LYS B 83 7.658 15.478 2.584 1.00 1.88 N ATOM 2084 CA LYS B 83 7.690 16.272 3.799 1.00 2.11 C ATOM 2085 C LYS B 83 8.758 15.736 4.750 1.00 2.84 C ATOM 2086 O LYS B 83 8.423 14.947 5.656 1.00 3.19 O ATOM 2087 CB LYS B 83 6.312 16.276 4.470 1.00 2.30 C ATOM 2088 CG LYS B 83 6.221 17.210 5.667 1.00 2.77 C ATOM 2089 CD LYS B 83 4.807 17.294 6.218 1.00 3.43 C ATOM 2090 CE LYS B 83 4.310 15.952 6.732 1.00 3.92 C ATOM 2091 NZ LYS B 83 2.988 16.076 7.402 1.00 4.40 N ATOM 2092 OXT LYS B 83 9.942 16.092 4.569 1.00 3.61 O ATOM 0 H LYS B 83 7.186 14.579 2.677 1.00 1.88 H new ATOM 0 HA LYS B 83 7.945 17.300 3.542 1.00 2.11 H new ATOM 0 HB2 LYS B 83 5.560 16.566 3.736 1.00 2.30 H new ATOM 0 HB3 LYS B 83 6.070 15.263 4.791 1.00 2.30 H new ATOM 0 HG2 LYS B 83 6.895 16.862 6.450 1.00 2.77 H new ATOM 0 HG3 LYS B 83 6.556 18.206 5.376 1.00 2.77 H new ATOM 0 HD2 LYS B 83 4.777 18.025 7.026 1.00 3.43 H new ATOM 0 HD3 LYS B 83 4.136 17.654 5.438 1.00 3.43 H new ATOM 0 HE2 LYS B 83 4.233 15.250 5.902 1.00 3.92 H new ATOM 0 HE3 LYS B 83 5.036 15.539 7.432 1.00 3.92 H new ATOM 0 HZ1 LYS B 83 2.905 15.351 8.143 1.00 4.40 H new ATOM 0 HZ2 LYS B 83 2.903 17.020 7.830 1.00 4.40 H new ATOM 0 HZ3 LYS B 83 2.230 15.943 6.702 1.00 4.40 H new