USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 922 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 87 THR OG1 : rot 180:sc= 0.187 USER MOD Set 1.2: A 90 SER OG : rot -147:sc= 1.14 USER MOD Set 2.1: A 21 SER OG : rot 113:sc= 0.414 USER MOD Set 2.2: A 48 HIS : no HE2:sc= -3.97! C(o=-4.1!,f=-9.6!) USER MOD Set 2.3: A 82 THR OG1 : rot 132:sc= -0.533! USER MOD Set 3.1: A 60 GLN : amide:sc= -1.93! K(o=-5!,f=0.23) USER MOD Set 3.2: A 76 ASN : amide:sc= -3.09! K(o=-5!,f=0.23) USER MOD Set 4.1: A 73 TYR OH : rot 68:sc= 2.52 USER MOD Set 4.2: A 115 TYR OH : rot 178:sc= 1.09 USER MOD Set 5.1: A 67 ASN : amide:sc= -2.63! K(o=-5!,f=0.76) USER MOD Set 5.2: A 69 GLN : amide:sc= -2.42! K(o=-5!,f=-0.044) USER MOD Set 6.1: A 11 GLN : amide:sc= -2.72! K(o=-4.4!,f=-3.3) USER MOD Set 6.2: A 30 MET CE :methyl 174:sc= -1.12 (180deg=-0.987) USER MOD Set 6.3: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 6.4: A 44 ASN : amide:sc= -0.565 K(o=-4.4,f=-5.2) USER MOD Set 7.1: A 24 THR OG1 : rot 180:sc= 0.0637 USER MOD Set 7.2: A 28 GLN : amide:sc= -1.04 K(o=-0.98,f=0.042) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= -2.27 K(o=-2.3,f=-2.8!) USER MOD Single : A 12 HIS : no HD1:sc= -0.555 X(o=-0.56,f=-0.67) USER MOD Single : A 13 MET CE :methyl -157:sc= -4.73! (180deg=-6.55!) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 170:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -61:sc= 0.305 USER MOD Single : A 22 SER OG : rot 180:sc=-0.00945 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot -93:sc= 0.565 USER MOD Single : A 27 ASN : amide:sc= -6.89! C(o=-6.9!,f=-8.7!) USER MOD Single : A 29 MET CE :methyl -149:sc= -0.177 (180deg=-0.536) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 MET CE :methyl -120:sc= -1.25 (180deg=-3.21!) USER MOD Single : A 36 THR OG1 : rot 85:sc= -3.17! USER MOD Single : A 37 GLN : amide:sc= -0.12 K(o=-0.12,f=-2!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -11.7! C(o=-12!,f=-6.1!) USER MOD Single : A 56 ASN : amide:sc= -0.0122 K(o=-0.012,f=-0.71) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -5.08! C(o=-5.1!,f=-3.3!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 109:sc= 0.232 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -112:sc= -0.277 (180deg=-1.59!) USER MOD Single : A 80 HIS : no HD1:sc= -4.94! C(o=-4.9!,f=-5.2!) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN : amide:sc= -1.06 X(o=-1.1,f=-1.5) USER MOD Single : A 97 TYR OH : rot 40:sc= 0.347 USER MOD Single : A 99 THR OG1 : rot 144:sc= 0.318 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 HIS : no HD1:sc= -1.44 K(o=-1.4,f=-0.39) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HE2:sc= -5.45! C(o=-5.4!,f=-5.5!) USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 49 N ARG A 4 -5.247 -0.845 -7.023 1.00 11.31 N ATOM 50 CA ARG A 4 -6.413 -1.627 -7.416 1.00 51.31 C ATOM 51 C ARG A 4 -6.172 -2.330 -8.748 1.00 62.25 C ATOM 52 O ARG A 4 -6.075 -3.556 -8.806 1.00 13.30 O ATOM 53 CB ARG A 4 -7.646 -0.727 -7.518 1.00 72.02 C ATOM 54 CG ARG A 4 -8.876 -1.438 -8.058 1.00 70.43 C ATOM 55 CD ARG A 4 -9.705 -2.047 -6.938 1.00 3.32 C ATOM 56 NE ARG A 4 -10.728 -1.125 -6.452 1.00 35.50 N ATOM 57 CZ ARG A 4 -11.428 -1.324 -5.340 1.00 72.24 C ATOM 58 NH1 ARG A 4 -11.215 -2.406 -4.603 1.00 52.45 N ATOM 59 NH2 ARG A 4 -12.343 -0.440 -4.964 1.00 1.22 N ATOM 0 HA ARG A 4 -6.586 -2.384 -6.651 1.00 51.31 H new ATOM 0 HB2 ARG A 4 -7.874 -0.324 -6.531 1.00 72.02 H new ATOM 0 HB3 ARG A 4 -7.414 0.121 -8.163 1.00 72.02 H new ATOM 0 HG2 ARG A 4 -9.487 -0.733 -8.622 1.00 70.43 H new ATOM 0 HG3 ARG A 4 -8.570 -2.221 -8.752 1.00 70.43 H new ATOM 0 HD2 ARG A 4 -10.180 -2.961 -7.294 1.00 3.32 H new ATOM 0 HD3 ARG A 4 -9.050 -2.329 -6.114 1.00 3.32 H new ATOM 0 HE ARG A 4 -10.915 -0.283 -6.996 1.00 35.50 H new ATOM 0 HH11 ARG A 4 -10.512 -3.088 -4.889 1.00 52.45 H new ATOM 0 HH12 ARG A 4 -11.754 -2.556 -3.750 1.00 52.45 H new ATOM 0 HH21 ARG A 4 -12.510 0.393 -5.529 1.00 1.22 H new ATOM 0 HH22 ARG A 4 -12.880 -0.593 -4.110 1.00 1.22 H new ATOM 73 N ALA A 5 -6.076 -1.546 -9.817 1.00 42.10 N ATOM 74 CA ALA A 5 -5.845 -2.093 -11.148 1.00 65.21 C ATOM 75 C ALA A 5 -4.946 -3.324 -11.087 1.00 42.42 C ATOM 76 O ALA A 5 -5.173 -4.307 -11.792 1.00 42.14 O ATOM 77 CB ALA A 5 -5.233 -1.035 -12.055 1.00 35.21 C ATOM 0 H ALA A 5 -6.155 -0.529 -9.787 1.00 42.10 H new ATOM 0 HA ALA A 5 -6.807 -2.397 -11.561 1.00 65.21 H new ATOM 0 HB1 ALA A 5 -5.066 -1.458 -13.046 1.00 35.21 H new ATOM 0 HB2 ALA A 5 -5.912 -0.186 -12.133 1.00 35.21 H new ATOM 0 HB3 ALA A 5 -4.283 -0.703 -11.637 1.00 35.21 H new ATOM 83 N LYS A 6 -3.924 -3.262 -10.240 1.00 64.54 N ATOM 84 CA LYS A 6 -2.990 -4.372 -10.086 1.00 42.43 C ATOM 85 C LYS A 6 -3.735 -5.685 -9.872 1.00 55.02 C ATOM 86 O LYS A 6 -3.462 -6.682 -10.540 1.00 23.51 O ATOM 87 CB LYS A 6 -2.046 -4.111 -8.910 1.00 71.10 C ATOM 88 CG LYS A 6 -0.633 -4.619 -9.140 1.00 12.13 C ATOM 89 CD LYS A 6 -0.580 -6.137 -9.142 1.00 60.50 C ATOM 90 CE LYS A 6 0.812 -6.646 -9.484 1.00 41.13 C ATOM 91 NZ LYS A 6 0.915 -7.065 -10.910 1.00 34.25 N ATOM 0 H LYS A 6 -3.721 -2.455 -9.650 1.00 64.54 H new ATOM 0 HA LYS A 6 -2.406 -4.452 -11.003 1.00 42.43 H new ATOM 0 HB2 LYS A 6 -2.010 -3.039 -8.714 1.00 71.10 H new ATOM 0 HB3 LYS A 6 -2.453 -4.585 -8.017 1.00 71.10 H new ATOM 0 HG2 LYS A 6 -0.259 -4.240 -10.091 1.00 12.13 H new ATOM 0 HG3 LYS A 6 0.025 -4.232 -8.362 1.00 12.13 H new ATOM 0 HD2 LYS A 6 -0.876 -6.514 -8.163 1.00 60.50 H new ATOM 0 HD3 LYS A 6 -1.298 -6.526 -9.864 1.00 60.50 H new ATOM 0 HE2 LYS A 6 1.544 -5.865 -9.281 1.00 41.13 H new ATOM 0 HE3 LYS A 6 1.059 -7.489 -8.839 1.00 41.13 H new ATOM 0 HZ1 LYS A 6 1.879 -7.405 -11.103 1.00 34.25 H new ATOM 0 HZ2 LYS A 6 0.234 -7.828 -11.098 1.00 34.25 H new ATOM 0 HZ3 LYS A 6 0.704 -6.254 -11.526 1.00 34.25 H new ATOM 105 N LYS A 7 -4.680 -5.678 -8.938 1.00 32.11 N ATOM 106 CA LYS A 7 -5.468 -6.868 -8.637 1.00 51.51 C ATOM 107 C LYS A 7 -6.040 -7.478 -9.912 1.00 54.04 C ATOM 108 O LYS A 7 -6.057 -8.698 -10.075 1.00 61.23 O ATOM 109 CB LYS A 7 -6.603 -6.522 -7.671 1.00 11.43 C ATOM 110 CG LYS A 7 -6.847 -7.584 -6.613 1.00 64.20 C ATOM 111 CD LYS A 7 -6.974 -6.973 -5.228 1.00 32.13 C ATOM 112 CE LYS A 7 -5.612 -6.641 -4.637 1.00 54.35 C ATOM 113 NZ LYS A 7 -5.645 -6.612 -3.149 1.00 11.40 N ATOM 0 H LYS A 7 -4.919 -4.861 -8.376 1.00 32.11 H new ATOM 0 HA LYS A 7 -4.810 -7.600 -8.168 1.00 51.51 H new ATOM 0 HB2 LYS A 7 -6.374 -5.577 -7.179 1.00 11.43 H new ATOM 0 HB3 LYS A 7 -7.520 -6.371 -8.240 1.00 11.43 H new ATOM 0 HG2 LYS A 7 -7.756 -8.136 -6.853 1.00 64.20 H new ATOM 0 HG3 LYS A 7 -6.027 -8.302 -6.621 1.00 64.20 H new ATOM 0 HD2 LYS A 7 -7.578 -6.067 -5.283 1.00 32.13 H new ATOM 0 HD3 LYS A 7 -7.498 -7.666 -4.570 1.00 32.13 H new ATOM 0 HE2 LYS A 7 -4.882 -7.379 -4.970 1.00 54.35 H new ATOM 0 HE3 LYS A 7 -5.280 -5.673 -5.012 1.00 54.35 H new ATOM 0 HZ1 LYS A 7 -4.698 -6.382 -2.785 1.00 11.40 H new ATOM 0 HZ2 LYS A 7 -6.323 -5.890 -2.831 1.00 11.40 H new ATOM 0 HZ3 LYS A 7 -5.937 -7.543 -2.790 1.00 11.40 H new ATOM 127 N PHE A 8 -6.508 -6.622 -10.815 1.00 3.41 N ATOM 128 CA PHE A 8 -7.080 -7.077 -12.076 1.00 72.13 C ATOM 129 C PHE A 8 -6.020 -7.750 -12.943 1.00 71.31 C ATOM 130 O PHE A 8 -6.293 -8.745 -13.614 1.00 31.54 O ATOM 131 CB PHE A 8 -7.702 -5.901 -12.833 1.00 20.24 C ATOM 132 CG PHE A 8 -8.105 -6.239 -14.239 1.00 72.24 C ATOM 133 CD1 PHE A 8 -9.300 -6.894 -14.493 1.00 42.14 C ATOM 134 CD2 PHE A 8 -7.290 -5.902 -15.308 1.00 12.12 C ATOM 135 CE1 PHE A 8 -9.673 -7.207 -15.787 1.00 4.31 C ATOM 136 CE2 PHE A 8 -7.658 -6.212 -16.604 1.00 11.23 C ATOM 137 CZ PHE A 8 -8.851 -6.864 -16.843 1.00 75.24 C ATOM 0 H PHE A 8 -6.502 -5.609 -10.696 1.00 3.41 H new ATOM 0 HA PHE A 8 -7.857 -7.807 -11.850 1.00 72.13 H new ATOM 0 HB2 PHE A 8 -8.578 -5.550 -12.287 1.00 20.24 H new ATOM 0 HB3 PHE A 8 -6.989 -5.076 -12.856 1.00 20.24 H new ATOM 0 HD1 PHE A 8 -9.947 -7.163 -13.671 1.00 42.14 H new ATOM 0 HD2 PHE A 8 -6.356 -5.391 -15.126 1.00 12.12 H new ATOM 0 HE1 PHE A 8 -10.606 -7.719 -15.972 1.00 4.31 H new ATOM 0 HE2 PHE A 8 -7.013 -5.945 -17.428 1.00 11.23 H new ATOM 0 HZ PHE A 8 -9.142 -7.106 -17.855 1.00 75.24 H new ATOM 147 N GLN A 9 -4.811 -7.199 -12.924 1.00 21.15 N ATOM 148 CA GLN A 9 -3.710 -7.745 -13.708 1.00 71.44 C ATOM 149 C GLN A 9 -3.317 -9.130 -13.205 1.00 34.41 C ATOM 150 O GLN A 9 -3.428 -10.119 -13.930 1.00 35.44 O ATOM 151 CB GLN A 9 -2.502 -6.808 -13.653 1.00 73.32 C ATOM 152 CG GLN A 9 -2.603 -5.629 -14.607 1.00 15.33 C ATOM 153 CD GLN A 9 -2.565 -4.294 -13.890 1.00 4.45 C ATOM 154 OE1 GLN A 9 -1.643 -4.015 -13.121 1.00 75.13 O ATOM 155 NE2 GLN A 9 -3.567 -3.459 -14.137 1.00 51.12 N ATOM 0 H GLN A 9 -4.569 -6.375 -12.374 1.00 21.15 H new ATOM 0 HA GLN A 9 -4.044 -7.835 -14.742 1.00 71.44 H new ATOM 0 HB2 GLN A 9 -2.390 -6.433 -12.636 1.00 73.32 H new ATOM 0 HB3 GLN A 9 -1.601 -7.376 -13.885 1.00 73.32 H new ATOM 0 HG2 GLN A 9 -1.783 -5.675 -15.324 1.00 15.33 H new ATOM 0 HG3 GLN A 9 -3.529 -5.705 -15.176 1.00 15.33 H new ATOM 0 HE21 GLN A 9 -4.310 -3.730 -14.781 1.00 51.12 H new ATOM 0 HE22 GLN A 9 -3.594 -2.546 -13.683 1.00 51.12 H new ATOM 164 N ARG A 10 -2.858 -9.194 -11.960 1.00 3.54 N ATOM 165 CA ARG A 10 -2.447 -10.457 -11.360 1.00 21.40 C ATOM 166 C ARG A 10 -3.594 -11.463 -11.371 1.00 74.05 C ATOM 167 O ARG A 10 -3.395 -12.649 -11.111 1.00 2.04 O ATOM 168 CB ARG A 10 -1.966 -10.233 -9.925 1.00 64.03 C ATOM 169 CG ARG A 10 -3.096 -10.092 -8.919 1.00 23.53 C ATOM 170 CD ARG A 10 -2.949 -11.083 -7.774 1.00 61.13 C ATOM 171 NE ARG A 10 -2.389 -10.459 -6.579 1.00 24.03 N ATOM 172 CZ ARG A 10 -3.121 -9.832 -5.665 1.00 51.00 C ATOM 173 NH1 ARG A 10 -4.436 -9.747 -5.809 1.00 52.55 N ATOM 174 NH2 ARG A 10 -2.538 -9.289 -4.604 1.00 31.22 N ATOM 0 H ARG A 10 -2.761 -8.385 -11.346 1.00 3.54 H new ATOM 0 HA ARG A 10 -1.626 -10.861 -11.952 1.00 21.40 H new ATOM 0 HB2 ARG A 10 -1.330 -11.067 -9.630 1.00 64.03 H new ATOM 0 HB3 ARG A 10 -1.349 -9.335 -9.894 1.00 64.03 H new ATOM 0 HG2 ARG A 10 -3.108 -9.076 -8.523 1.00 23.53 H new ATOM 0 HG3 ARG A 10 -4.052 -10.251 -9.419 1.00 23.53 H new ATOM 0 HD2 ARG A 10 -3.923 -11.510 -7.537 1.00 61.13 H new ATOM 0 HD3 ARG A 10 -2.307 -11.907 -8.087 1.00 61.13 H new ATOM 0 HE ARG A 10 -1.380 -10.507 -6.438 1.00 24.03 H new ATOM 0 HH11 ARG A 10 -4.888 -10.164 -6.623 1.00 52.55 H new ATOM 0 HH12 ARG A 10 -4.996 -9.265 -5.106 1.00 52.55 H new ATOM 0 HH21 ARG A 10 -1.526 -9.353 -4.489 1.00 31.22 H new ATOM 0 HH22 ARG A 10 -3.101 -8.808 -3.903 1.00 31.22 H new ATOM 188 N GLN A 11 -4.795 -10.980 -11.675 1.00 2.21 N ATOM 189 CA GLN A 11 -5.974 -11.837 -11.719 1.00 1.42 C ATOM 190 C GLN A 11 -6.093 -12.530 -13.072 1.00 50.31 C ATOM 191 O GLN A 11 -5.934 -13.747 -13.174 1.00 42.52 O ATOM 192 CB GLN A 11 -7.236 -11.018 -11.439 1.00 24.43 C ATOM 193 CG GLN A 11 -7.776 -11.198 -10.029 1.00 54.53 C ATOM 194 CD GLN A 11 -8.031 -12.651 -9.682 1.00 64.11 C ATOM 195 OE1 GLN A 11 -9.119 -13.176 -9.917 1.00 34.23 O ATOM 196 NE2 GLN A 11 -7.024 -13.310 -9.120 1.00 33.51 N ATOM 0 H GLN A 11 -4.977 -10.001 -11.894 1.00 2.21 H new ATOM 0 HA GLN A 11 -5.866 -12.601 -10.949 1.00 1.42 H new ATOM 0 HB2 GLN A 11 -7.019 -9.963 -11.604 1.00 24.43 H new ATOM 0 HB3 GLN A 11 -8.009 -11.300 -12.154 1.00 24.43 H new ATOM 0 HG2 GLN A 11 -7.067 -10.777 -9.316 1.00 54.53 H new ATOM 0 HG3 GLN A 11 -8.704 -10.636 -9.925 1.00 54.53 H new ATOM 0 HE21 GLN A 11 -6.139 -12.835 -8.943 1.00 33.51 H new ATOM 0 HE22 GLN A 11 -7.136 -14.291 -8.865 1.00 33.51 H new ATOM 205 N HIS A 12 -6.375 -11.747 -14.109 1.00 65.54 N ATOM 206 CA HIS A 12 -6.515 -12.286 -15.457 1.00 61.44 C ATOM 207 C HIS A 12 -5.225 -12.105 -16.252 1.00 72.11 C ATOM 208 O HIS A 12 -4.688 -13.062 -16.809 1.00 75.20 O ATOM 209 CB HIS A 12 -7.675 -11.605 -16.184 1.00 32.14 C ATOM 210 CG HIS A 12 -8.872 -11.372 -15.314 1.00 1.23 C ATOM 211 ND1 HIS A 12 -9.883 -12.297 -15.160 1.00 64.12 N ATOM 212 CD2 HIS A 12 -9.216 -10.311 -14.547 1.00 4.31 C ATOM 213 CE1 HIS A 12 -10.797 -11.815 -14.338 1.00 11.40 C ATOM 214 NE2 HIS A 12 -10.416 -10.611 -13.951 1.00 40.41 N ATOM 0 H HIS A 12 -6.511 -10.738 -14.042 1.00 65.54 H new ATOM 0 HA HIS A 12 -6.724 -13.353 -15.375 1.00 61.44 H new ATOM 0 HB2 HIS A 12 -7.333 -10.649 -16.581 1.00 32.14 H new ATOM 0 HB3 HIS A 12 -7.969 -12.218 -17.036 1.00 32.14 H new ATOM 0 HD2 HIS A 12 -8.652 -9.398 -14.426 1.00 4.31 H new ATOM 0 HE1 HIS A 12 -11.702 -12.319 -14.034 1.00 11.40 H new ATOM 0 HE2 HIS A 12 -10.930 -10.003 -13.313 1.00 40.41 H new ATOM 222 N MET A 13 -4.734 -10.871 -16.300 1.00 71.14 N ATOM 223 CA MET A 13 -3.507 -10.565 -17.027 1.00 31.13 C ATOM 224 C MET A 13 -2.377 -11.497 -16.601 1.00 43.31 C ATOM 225 O MET A 13 -1.792 -11.330 -15.531 1.00 1.53 O ATOM 226 CB MET A 13 -3.100 -9.109 -16.792 1.00 63.30 C ATOM 227 CG MET A 13 -4.207 -8.112 -17.092 1.00 33.42 C ATOM 228 SD MET A 13 -4.646 -8.066 -18.840 1.00 44.01 S ATOM 229 CE MET A 13 -3.079 -7.594 -19.569 1.00 54.34 C ATOM 0 H MET A 13 -5.166 -10.067 -15.845 1.00 71.14 H new ATOM 0 HA MET A 13 -3.696 -10.714 -18.090 1.00 31.13 H new ATOM 0 HB2 MET A 13 -2.787 -8.991 -15.755 1.00 63.30 H new ATOM 0 HB3 MET A 13 -2.235 -8.877 -17.414 1.00 63.30 H new ATOM 0 HG2 MET A 13 -5.090 -8.368 -16.506 1.00 33.42 H new ATOM 0 HG3 MET A 13 -3.891 -7.118 -16.774 1.00 33.42 H new ATOM 0 HE1 MET A 13 -3.254 -7.134 -20.542 1.00 54.34 H new ATOM 0 HE2 MET A 13 -2.574 -6.882 -18.916 1.00 54.34 H new ATOM 0 HE3 MET A 13 -2.454 -8.479 -19.693 1.00 54.34 H new ATOM 239 N ASP A 14 -2.075 -12.477 -17.445 1.00 21.21 N ATOM 240 CA ASP A 14 -1.014 -13.435 -17.156 1.00 43.10 C ATOM 241 C ASP A 14 0.093 -13.351 -18.202 1.00 65.12 C ATOM 242 O ASP A 14 0.917 -14.258 -18.323 1.00 2.13 O ATOM 243 CB ASP A 14 -1.579 -14.855 -17.106 1.00 60.33 C ATOM 244 CG ASP A 14 -1.544 -15.540 -18.458 1.00 62.05 C ATOM 245 OD1 ASP A 14 -0.497 -16.130 -18.797 1.00 43.33 O ATOM 246 OD2 ASP A 14 -2.563 -15.485 -19.178 1.00 71.53 O ATOM 0 H ASP A 14 -2.550 -12.629 -18.335 1.00 21.21 H new ATOM 0 HA ASP A 14 -0.590 -13.187 -16.183 1.00 43.10 H new ATOM 0 HB2 ASP A 14 -1.009 -15.445 -16.388 1.00 60.33 H new ATOM 0 HB3 ASP A 14 -2.607 -14.821 -16.746 1.00 60.33 H new ATOM 251 N SER A 15 0.106 -12.257 -18.957 1.00 73.22 N ATOM 252 CA SER A 15 1.109 -12.057 -19.997 1.00 34.13 C ATOM 253 C SER A 15 2.441 -12.682 -19.594 1.00 33.40 C ATOM 254 O SER A 15 3.081 -13.372 -20.388 1.00 53.22 O ATOM 255 CB SER A 15 1.296 -10.564 -20.273 1.00 70.24 C ATOM 256 OG SER A 15 1.534 -9.849 -19.073 1.00 50.04 O ATOM 0 H SER A 15 -0.567 -11.495 -18.868 1.00 73.22 H new ATOM 0 HA SER A 15 0.758 -12.546 -20.906 1.00 34.13 H new ATOM 0 HB2 SER A 15 2.132 -10.420 -20.958 1.00 70.24 H new ATOM 0 HB3 SER A 15 0.408 -10.168 -20.766 1.00 70.24 H new ATOM 0 HG SER A 15 1.652 -8.898 -19.277 1.00 50.04 H new ATOM 262 N ASP A 16 2.852 -12.436 -18.355 1.00 32.30 N ATOM 263 CA ASP A 16 4.107 -12.975 -17.845 1.00 21.33 C ATOM 264 C ASP A 16 4.346 -14.387 -18.371 1.00 31.24 C ATOM 265 O ASP A 16 5.421 -14.695 -18.885 1.00 22.35 O ATOM 266 CB ASP A 16 4.100 -12.982 -16.315 1.00 53.22 C ATOM 267 CG ASP A 16 4.281 -11.595 -15.729 1.00 71.35 C ATOM 268 OD1 ASP A 16 5.228 -10.895 -16.144 1.00 50.45 O ATOM 269 OD2 ASP A 16 3.475 -11.210 -14.857 1.00 22.53 O ATOM 0 H ASP A 16 2.334 -11.867 -17.685 1.00 32.30 H new ATOM 0 HA ASP A 16 4.917 -12.335 -18.194 1.00 21.33 H new ATOM 0 HB2 ASP A 16 3.159 -13.403 -15.961 1.00 53.22 H new ATOM 0 HB3 ASP A 16 4.896 -13.633 -15.954 1.00 53.22 H new ATOM 274 N SER A 17 3.336 -15.242 -18.237 1.00 44.43 N ATOM 275 CA SER A 17 3.438 -16.623 -18.694 1.00 43.55 C ATOM 276 C SER A 17 3.403 -16.694 -20.218 1.00 74.40 C ATOM 277 O SER A 17 3.066 -15.719 -20.889 1.00 2.32 O ATOM 278 CB SER A 17 2.302 -17.462 -18.106 1.00 45.12 C ATOM 279 OG SER A 17 2.779 -18.319 -17.083 1.00 52.02 O ATOM 0 H SER A 17 2.438 -15.002 -17.816 1.00 44.43 H new ATOM 0 HA SER A 17 4.391 -17.025 -18.351 1.00 43.55 H new ATOM 0 HB2 SER A 17 1.531 -16.805 -17.704 1.00 45.12 H new ATOM 0 HB3 SER A 17 1.837 -18.055 -18.894 1.00 45.12 H new ATOM 0 HG SER A 17 2.019 -18.724 -16.615 1.00 52.02 H new ATOM 285 N SER A 18 3.752 -17.858 -20.758 1.00 3.24 N ATOM 286 CA SER A 18 3.764 -18.058 -22.202 1.00 5.40 C ATOM 287 C SER A 18 2.466 -18.706 -22.672 1.00 31.34 C ATOM 288 O SER A 18 1.727 -19.311 -21.894 1.00 2.31 O ATOM 289 CB SER A 18 4.957 -18.925 -22.608 1.00 63.31 C ATOM 290 OG SER A 18 6.053 -18.126 -23.017 1.00 45.04 O ATOM 0 H SER A 18 4.030 -18.677 -20.217 1.00 3.24 H new ATOM 0 HA SER A 18 3.855 -17.082 -22.678 1.00 5.40 H new ATOM 0 HB2 SER A 18 5.255 -19.555 -21.770 1.00 63.31 H new ATOM 0 HB3 SER A 18 4.666 -19.592 -23.420 1.00 63.31 H new ATOM 0 HG SER A 18 6.803 -18.704 -23.270 1.00 45.04 H new ATOM 296 N PRO A 19 2.180 -18.579 -23.976 1.00 14.42 N ATOM 297 CA PRO A 19 0.970 -19.146 -24.580 1.00 44.30 C ATOM 298 C PRO A 19 1.011 -20.669 -24.638 1.00 12.04 C ATOM 299 O PRO A 19 1.853 -21.302 -24.000 1.00 52.43 O ATOM 300 CB PRO A 19 0.970 -18.557 -25.993 1.00 24.00 C ATOM 301 CG PRO A 19 2.402 -18.258 -26.279 1.00 15.44 C ATOM 302 CD PRO A 19 3.015 -17.871 -24.961 1.00 73.41 C ATOM 0 HA PRO A 19 0.076 -18.907 -24.004 1.00 44.30 H new ATOM 0 HB2 PRO A 19 0.561 -19.263 -26.716 1.00 24.00 H new ATOM 0 HB3 PRO A 19 0.359 -17.656 -26.046 1.00 24.00 H new ATOM 0 HG2 PRO A 19 2.905 -19.127 -26.703 1.00 15.44 H new ATOM 0 HG3 PRO A 19 2.495 -17.450 -27.005 1.00 15.44 H new ATOM 0 HD2 PRO A 19 4.059 -18.178 -24.898 1.00 73.41 H new ATOM 0 HD3 PRO A 19 2.990 -16.792 -24.808 1.00 73.41 H new ATOM 310 N SER A 20 0.096 -21.252 -25.406 1.00 31.05 N ATOM 311 CA SER A 20 0.025 -22.702 -25.544 1.00 2.05 C ATOM 312 C SER A 20 -0.270 -23.362 -24.200 1.00 11.20 C ATOM 313 O SER A 20 0.393 -24.322 -23.808 1.00 41.03 O ATOM 314 CB SER A 20 1.336 -23.246 -26.114 1.00 45.32 C ATOM 315 OG SER A 20 1.217 -24.618 -26.448 1.00 43.31 O ATOM 0 H SER A 20 -0.606 -20.742 -25.942 1.00 31.05 H new ATOM 0 HA SER A 20 -0.788 -22.937 -26.231 1.00 2.05 H new ATOM 0 HB2 SER A 20 1.615 -22.676 -27.000 1.00 45.32 H new ATOM 0 HB3 SER A 20 2.136 -23.114 -25.385 1.00 45.32 H new ATOM 0 HG SER A 20 1.003 -25.133 -25.642 1.00 43.31 H new ATOM 321 N SER A 21 -1.271 -22.839 -23.498 1.00 43.03 N ATOM 322 CA SER A 21 -1.653 -23.374 -22.197 1.00 2.33 C ATOM 323 C SER A 21 -2.782 -24.390 -22.337 1.00 62.31 C ATOM 324 O SER A 21 -3.945 -24.024 -22.506 1.00 3.41 O ATOM 325 CB SER A 21 -2.084 -22.241 -21.263 1.00 74.11 C ATOM 326 OG SER A 21 -1.062 -21.268 -21.136 1.00 14.32 O ATOM 0 H SER A 21 -1.832 -22.046 -23.809 1.00 43.03 H new ATOM 0 HA SER A 21 -0.786 -23.878 -21.770 1.00 2.33 H new ATOM 0 HB2 SER A 21 -2.990 -21.773 -21.648 1.00 74.11 H new ATOM 0 HB3 SER A 21 -2.327 -22.647 -20.281 1.00 74.11 H new ATOM 0 HG SER A 21 -1.357 -20.428 -21.545 1.00 14.32 H new ATOM 332 N SER A 22 -2.430 -25.670 -22.266 1.00 45.02 N ATOM 333 CA SER A 22 -3.411 -26.741 -22.389 1.00 74.11 C ATOM 334 C SER A 22 -3.470 -27.574 -21.112 1.00 43.21 C ATOM 335 O SER A 22 -4.542 -28.005 -20.688 1.00 25.33 O ATOM 336 CB SER A 22 -3.072 -27.638 -23.581 1.00 55.13 C ATOM 337 OG SER A 22 -2.089 -28.598 -23.234 1.00 54.32 O ATOM 0 H SER A 22 -1.472 -25.990 -22.124 1.00 45.02 H new ATOM 0 HA SER A 22 -4.389 -26.287 -22.551 1.00 74.11 H new ATOM 0 HB2 SER A 22 -3.973 -28.144 -23.927 1.00 55.13 H new ATOM 0 HB3 SER A 22 -2.712 -27.027 -24.409 1.00 55.13 H new ATOM 0 HG SER A 22 -1.891 -29.160 -24.012 1.00 54.32 H new ATOM 343 N SER A 23 -2.309 -27.795 -20.504 1.00 64.52 N ATOM 344 CA SER A 23 -2.225 -28.580 -19.278 1.00 14.44 C ATOM 345 C SER A 23 -2.968 -27.887 -18.139 1.00 33.41 C ATOM 346 O SER A 23 -3.674 -26.901 -18.351 1.00 12.43 O ATOM 347 CB SER A 23 -0.763 -28.801 -18.887 1.00 61.31 C ATOM 348 OG SER A 23 -0.102 -29.624 -19.833 1.00 4.41 O ATOM 0 H SER A 23 -1.413 -27.441 -20.840 1.00 64.52 H new ATOM 0 HA SER A 23 -2.694 -29.547 -19.462 1.00 14.44 H new ATOM 0 HB2 SER A 23 -0.253 -27.840 -18.816 1.00 61.31 H new ATOM 0 HB3 SER A 23 -0.713 -29.262 -17.901 1.00 61.31 H new ATOM 0 HG SER A 23 0.831 -29.749 -19.562 1.00 4.41 H new ATOM 354 N THR A 24 -2.804 -28.412 -16.928 1.00 74.03 N ATOM 355 CA THR A 24 -3.459 -27.847 -15.755 1.00 73.04 C ATOM 356 C THR A 24 -2.998 -26.416 -15.504 1.00 22.22 C ATOM 357 O THR A 24 -3.268 -25.843 -14.448 1.00 51.12 O ATOM 358 CB THR A 24 -3.184 -28.692 -14.497 1.00 15.20 C ATOM 359 OG1 THR A 24 -1.903 -29.322 -14.600 1.00 43.32 O ATOM 360 CG2 THR A 24 -4.261 -29.750 -14.310 1.00 14.34 C ATOM 0 H THR A 24 -2.223 -29.228 -16.735 1.00 74.03 H new ATOM 0 HA THR A 24 -4.530 -27.850 -15.958 1.00 73.04 H new ATOM 0 HB THR A 24 -3.194 -28.029 -13.632 1.00 15.20 H new ATOM 0 HG1 THR A 24 -1.735 -29.856 -13.795 1.00 43.32 H new ATOM 0 HG21 THR A 24 -4.046 -30.334 -13.415 1.00 14.34 H new ATOM 0 HG22 THR A 24 -5.232 -29.266 -14.202 1.00 14.34 H new ATOM 0 HG23 THR A 24 -4.278 -30.409 -15.178 1.00 14.34 H new ATOM 368 N TYR A 25 -2.301 -25.844 -16.479 1.00 60.24 N ATOM 369 CA TYR A 25 -1.800 -24.480 -16.362 1.00 52.25 C ATOM 370 C TYR A 25 -2.742 -23.624 -15.521 1.00 71.10 C ATOM 371 O TYR A 25 -2.361 -23.113 -14.468 1.00 13.54 O ATOM 372 CB TYR A 25 -1.629 -23.857 -17.749 1.00 4.31 C ATOM 373 CG TYR A 25 -1.371 -22.367 -17.716 1.00 34.14 C ATOM 374 CD1 TYR A 25 -2.414 -21.466 -17.538 1.00 33.22 C ATOM 375 CD2 TYR A 25 -0.086 -21.860 -17.863 1.00 32.51 C ATOM 376 CE1 TYR A 25 -2.184 -20.104 -17.507 1.00 74.34 C ATOM 377 CE2 TYR A 25 0.153 -20.500 -17.832 1.00 62.33 C ATOM 378 CZ TYR A 25 -0.899 -19.626 -17.655 1.00 20.44 C ATOM 379 OH TYR A 25 -0.665 -18.271 -17.625 1.00 43.30 O ATOM 0 H TYR A 25 -2.070 -26.304 -17.360 1.00 60.24 H new ATOM 0 HA TYR A 25 -0.831 -24.517 -15.865 1.00 52.25 H new ATOM 0 HB2 TYR A 25 -0.801 -24.349 -18.260 1.00 4.31 H new ATOM 0 HB3 TYR A 25 -2.526 -24.049 -18.337 1.00 4.31 H new ATOM 0 HD1 TYR A 25 -3.422 -21.837 -17.422 1.00 33.22 H new ATOM 0 HD2 TYR A 25 0.740 -22.541 -18.004 1.00 32.51 H new ATOM 0 HE1 TYR A 25 -3.006 -19.418 -17.368 1.00 74.34 H new ATOM 0 HE2 TYR A 25 1.159 -20.123 -17.946 1.00 62.33 H new ATOM 0 HH TYR A 25 -0.689 -17.915 -18.538 1.00 43.30 H new ATOM 389 N CYS A 26 -3.975 -23.473 -15.994 1.00 22.24 N ATOM 390 CA CYS A 26 -4.973 -22.680 -15.287 1.00 35.21 C ATOM 391 C CYS A 26 -5.235 -23.250 -13.895 1.00 50.55 C ATOM 392 O CYS A 26 -5.096 -22.552 -12.892 1.00 41.41 O ATOM 393 CB CYS A 26 -6.278 -22.636 -16.085 1.00 41.32 C ATOM 394 SG CYS A 26 -6.320 -21.345 -17.370 1.00 63.01 S ATOM 0 H CYS A 26 -4.306 -23.890 -16.864 1.00 22.24 H new ATOM 0 HA CYS A 26 -4.586 -21.667 -15.179 1.00 35.21 H new ATOM 0 HB2 CYS A 26 -6.437 -23.607 -16.555 1.00 41.32 H new ATOM 0 HB3 CYS A 26 -7.107 -22.475 -15.396 1.00 41.32 H new ATOM 399 N ASN A 27 -5.614 -24.522 -13.845 1.00 34.33 N ATOM 400 CA ASN A 27 -5.896 -25.186 -12.577 1.00 1.12 C ATOM 401 C ASN A 27 -5.016 -24.626 -11.463 1.00 32.41 C ATOM 402 O ASN A 27 -5.508 -24.258 -10.397 1.00 32.33 O ATOM 403 CB ASN A 27 -5.675 -26.694 -12.707 1.00 34.41 C ATOM 404 CG ASN A 27 -5.664 -27.395 -11.362 1.00 74.21 C ATOM 405 OD1 ASN A 27 -5.717 -26.752 -10.314 1.00 0.31 O ATOM 406 ND2 ASN A 27 -5.595 -28.721 -11.387 1.00 35.13 N ATOM 0 H ASN A 27 -5.733 -25.114 -14.667 1.00 34.33 H new ATOM 0 HA ASN A 27 -6.939 -24.999 -12.321 1.00 1.12 H new ATOM 0 HB2 ASN A 27 -6.461 -27.121 -13.330 1.00 34.41 H new ATOM 0 HB3 ASN A 27 -4.729 -26.877 -13.217 1.00 34.41 H new ATOM 0 HD21 ASN A 27 -5.584 -29.248 -10.514 1.00 35.13 H new ATOM 0 HD22 ASN A 27 -5.553 -29.213 -12.280 1.00 35.13 H new ATOM 413 N GLN A 28 -3.714 -24.565 -11.719 1.00 65.42 N ATOM 414 CA GLN A 28 -2.766 -24.051 -10.738 1.00 4.01 C ATOM 415 C GLN A 28 -2.697 -22.528 -10.794 1.00 65.40 C ATOM 416 O GLN A 28 -2.937 -21.850 -9.796 1.00 53.53 O ATOM 417 CB GLN A 28 -1.377 -24.646 -10.979 1.00 1.55 C ATOM 418 CG GLN A 28 -1.109 -25.910 -10.178 1.00 12.44 C ATOM 419 CD GLN A 28 -1.762 -27.135 -10.786 1.00 62.21 C ATOM 420 OE1 GLN A 28 -2.627 -27.761 -10.173 1.00 21.12 O ATOM 421 NE2 GLN A 28 -1.350 -27.485 -11.999 1.00 50.21 N ATOM 0 H GLN A 28 -3.291 -24.865 -12.597 1.00 65.42 H new ATOM 0 HA GLN A 28 -3.112 -24.345 -9.747 1.00 4.01 H new ATOM 0 HB2 GLN A 28 -1.265 -24.868 -12.040 1.00 1.55 H new ATOM 0 HB3 GLN A 28 -0.623 -23.900 -10.728 1.00 1.55 H new ATOM 0 HG2 GLN A 28 -0.033 -26.072 -10.111 1.00 12.44 H new ATOM 0 HG3 GLN A 28 -1.475 -25.775 -9.160 1.00 12.44 H new ATOM 0 HE21 GLN A 28 -0.630 -26.937 -12.471 1.00 50.21 H new ATOM 0 HE22 GLN A 28 -1.753 -28.301 -12.459 1.00 50.21 H new ATOM 430 N MET A 29 -2.366 -21.999 -11.967 1.00 42.12 N ATOM 431 CA MET A 29 -2.266 -20.556 -12.153 1.00 0.10 C ATOM 432 C MET A 29 -3.261 -19.823 -11.259 1.00 53.44 C ATOM 433 O MET A 29 -2.872 -19.128 -10.321 1.00 31.42 O ATOM 434 CB MET A 29 -2.513 -20.190 -13.618 1.00 24.50 C ATOM 435 CG MET A 29 -1.250 -19.799 -14.368 1.00 25.13 C ATOM 436 SD MET A 29 -0.318 -18.503 -13.529 1.00 64.12 S ATOM 437 CE MET A 29 1.107 -19.426 -12.958 1.00 63.03 C ATOM 0 H MET A 29 -2.163 -22.547 -12.803 1.00 42.12 H new ATOM 0 HA MET A 29 -1.258 -20.248 -11.875 1.00 0.10 H new ATOM 0 HB2 MET A 29 -2.978 -21.037 -14.122 1.00 24.50 H new ATOM 0 HB3 MET A 29 -3.223 -19.364 -13.663 1.00 24.50 H new ATOM 0 HG2 MET A 29 -0.616 -20.678 -14.488 1.00 25.13 H new ATOM 0 HG3 MET A 29 -1.517 -19.460 -15.369 1.00 25.13 H new ATOM 0 HE1 MET A 29 1.472 -18.992 -12.027 1.00 63.03 H new ATOM 0 HE2 MET A 29 0.823 -20.465 -12.788 1.00 63.03 H new ATOM 0 HE3 MET A 29 1.894 -19.384 -13.711 1.00 63.03 H new ATOM 447 N MET A 30 -4.547 -19.981 -11.558 1.00 65.40 N ATOM 448 CA MET A 30 -5.597 -19.335 -10.780 1.00 40.53 C ATOM 449 C MET A 30 -5.322 -19.460 -9.285 1.00 73.52 C ATOM 450 O MET A 30 -5.542 -18.519 -8.523 1.00 5.11 O ATOM 451 CB MET A 30 -6.959 -19.947 -11.114 1.00 3.11 C ATOM 452 CG MET A 30 -7.779 -19.112 -12.083 1.00 74.05 C ATOM 453 SD MET A 30 -8.947 -18.022 -11.246 1.00 63.51 S ATOM 454 CE MET A 30 -7.956 -16.542 -11.062 1.00 43.11 C ATOM 0 H MET A 30 -4.886 -20.551 -12.333 1.00 65.40 H new ATOM 0 HA MET A 30 -5.609 -18.277 -11.041 1.00 40.53 H new ATOM 0 HB2 MET A 30 -6.808 -20.939 -11.540 1.00 3.11 H new ATOM 0 HB3 MET A 30 -7.525 -20.079 -10.192 1.00 3.11 H new ATOM 0 HG2 MET A 30 -7.108 -18.514 -12.699 1.00 74.05 H new ATOM 0 HG3 MET A 30 -8.324 -19.774 -12.756 1.00 74.05 H new ATOM 0 HE1 MET A 30 -8.572 -15.739 -10.657 1.00 43.11 H new ATOM 0 HE2 MET A 30 -7.127 -16.741 -10.383 1.00 43.11 H new ATOM 0 HE3 MET A 30 -7.564 -16.243 -12.034 1.00 43.11 H new ATOM 464 N ARG A 31 -4.842 -20.629 -8.873 1.00 1.14 N ATOM 465 CA ARG A 31 -4.539 -20.878 -7.468 1.00 52.34 C ATOM 466 C ARG A 31 -3.286 -20.120 -7.040 1.00 11.42 C ATOM 467 O ARG A 31 -3.339 -19.260 -6.160 1.00 53.44 O ATOM 468 CB ARG A 31 -4.351 -22.376 -7.223 1.00 2.22 C ATOM 469 CG ARG A 31 -3.825 -22.704 -5.835 1.00 64.11 C ATOM 470 CD ARG A 31 -2.501 -23.450 -5.903 1.00 75.52 C ATOM 471 NE ARG A 31 -2.076 -23.931 -4.591 1.00 71.24 N ATOM 472 CZ ARG A 31 -0.961 -24.624 -4.389 1.00 3.53 C ATOM 473 NH1 ARG A 31 -0.163 -24.914 -5.407 1.00 24.22 N ATOM 474 NH2 ARG A 31 -0.641 -25.026 -3.165 1.00 74.23 N ATOM 0 H ARG A 31 -4.655 -21.418 -9.491 1.00 1.14 H new ATOM 0 HA ARG A 31 -5.379 -20.522 -6.872 1.00 52.34 H new ATOM 0 HB2 ARG A 31 -5.305 -22.882 -7.370 1.00 2.22 H new ATOM 0 HB3 ARG A 31 -3.661 -22.774 -7.967 1.00 2.22 H new ATOM 0 HG2 ARG A 31 -3.696 -21.783 -5.266 1.00 64.11 H new ATOM 0 HG3 ARG A 31 -4.558 -23.309 -5.301 1.00 64.11 H new ATOM 0 HD2 ARG A 31 -2.595 -24.295 -6.586 1.00 75.52 H new ATOM 0 HD3 ARG A 31 -1.735 -22.792 -6.314 1.00 75.52 H new ATOM 0 HE ARG A 31 -2.667 -23.723 -3.786 1.00 71.24 H new ATOM 0 HH11 ARG A 31 -0.405 -24.605 -6.349 1.00 24.22 H new ATOM 0 HH12 ARG A 31 0.693 -25.446 -5.249 1.00 24.22 H new ATOM 0 HH21 ARG A 31 -1.252 -24.803 -2.379 1.00 74.23 H new ATOM 0 HH22 ARG A 31 0.215 -25.558 -3.011 1.00 74.23 H new ATOM 488 N ARG A 32 -2.160 -20.445 -7.667 1.00 35.12 N ATOM 489 CA ARG A 32 -0.894 -19.796 -7.349 1.00 70.43 C ATOM 490 C ARG A 32 -1.089 -18.298 -7.139 1.00 3.34 C ATOM 491 O ARG A 32 -0.297 -17.649 -6.455 1.00 4.11 O ATOM 492 CB ARG A 32 0.121 -20.037 -8.468 1.00 24.31 C ATOM 493 CG ARG A 32 1.047 -21.214 -8.207 1.00 70.40 C ATOM 494 CD ARG A 32 2.387 -21.034 -8.903 1.00 71.31 C ATOM 495 NE ARG A 32 2.957 -22.309 -9.332 1.00 55.22 N ATOM 496 CZ ARG A 32 4.250 -22.493 -9.570 1.00 5.34 C ATOM 497 NH1 ARG A 32 5.104 -21.490 -9.420 1.00 44.51 N ATOM 498 NH2 ARG A 32 4.693 -23.682 -9.957 1.00 73.20 N ATOM 0 H ARG A 32 -2.099 -21.154 -8.398 1.00 35.12 H new ATOM 0 HA ARG A 32 -0.514 -20.229 -6.423 1.00 70.43 H new ATOM 0 HB2 ARG A 32 -0.414 -20.207 -9.402 1.00 24.31 H new ATOM 0 HB3 ARG A 32 0.721 -19.137 -8.603 1.00 24.31 H new ATOM 0 HG2 ARG A 32 1.205 -21.323 -7.134 1.00 70.40 H new ATOM 0 HG3 ARG A 32 0.576 -22.133 -8.555 1.00 70.40 H new ATOM 0 HD2 ARG A 32 2.261 -20.384 -9.769 1.00 71.31 H new ATOM 0 HD3 ARG A 32 3.082 -20.535 -8.228 1.00 71.31 H new ATOM 0 HE ARG A 32 2.327 -23.101 -9.455 1.00 55.22 H new ATOM 0 HH11 ARG A 32 4.768 -20.574 -9.121 1.00 44.51 H new ATOM 0 HH12 ARG A 32 6.097 -21.634 -9.603 1.00 44.51 H new ATOM 0 HH21 ARG A 32 4.040 -24.457 -10.072 1.00 73.20 H new ATOM 0 HH22 ARG A 32 5.687 -23.821 -10.139 1.00 73.20 H new ATOM 512 N ARG A 33 -2.147 -17.755 -7.731 1.00 12.31 N ATOM 513 CA ARG A 33 -2.445 -16.333 -7.610 1.00 2.43 C ATOM 514 C ARG A 33 -3.159 -16.037 -6.294 1.00 3.21 C ATOM 515 O ARG A 33 -3.783 -14.988 -6.137 1.00 65.21 O ATOM 516 CB ARG A 33 -3.306 -15.868 -8.785 1.00 74.13 C ATOM 517 CG ARG A 33 -2.654 -16.083 -10.141 1.00 61.51 C ATOM 518 CD ARG A 33 -1.608 -15.018 -10.432 1.00 34.13 C ATOM 519 NE ARG A 33 -0.348 -15.598 -10.887 1.00 23.23 N ATOM 520 CZ ARG A 33 0.539 -14.941 -11.626 1.00 23.13 C ATOM 521 NH1 ARG A 33 0.305 -13.688 -11.991 1.00 33.32 N ATOM 522 NH2 ARG A 33 1.664 -15.537 -12.001 1.00 31.14 N ATOM 0 H ARG A 33 -2.813 -18.278 -8.300 1.00 12.31 H new ATOM 0 HA ARG A 33 -1.501 -15.788 -7.622 1.00 2.43 H new ATOM 0 HB2 ARG A 33 -4.257 -16.400 -8.760 1.00 74.13 H new ATOM 0 HB3 ARG A 33 -3.530 -14.808 -8.663 1.00 74.13 H new ATOM 0 HG2 ARG A 33 -2.189 -17.068 -10.170 1.00 61.51 H new ATOM 0 HG3 ARG A 33 -3.417 -16.067 -10.919 1.00 61.51 H new ATOM 0 HD2 ARG A 33 -1.988 -14.335 -11.192 1.00 34.13 H new ATOM 0 HD3 ARG A 33 -1.432 -14.428 -9.533 1.00 34.13 H new ATOM 0 HE ARG A 33 -0.137 -16.560 -10.623 1.00 23.23 H new ATOM 0 HH11 ARG A 33 -0.558 -13.226 -11.704 1.00 33.32 H new ATOM 0 HH12 ARG A 33 0.988 -13.186 -12.558 1.00 33.32 H new ATOM 0 HH21 ARG A 33 1.848 -16.501 -11.722 1.00 31.14 H new ATOM 0 HH22 ARG A 33 2.344 -15.031 -12.568 1.00 31.14 H new ATOM 536 N ASN A 34 -3.062 -16.969 -5.352 1.00 33.23 N ATOM 537 CA ASN A 34 -3.700 -16.809 -4.050 1.00 4.13 C ATOM 538 C ASN A 34 -5.177 -16.463 -4.206 1.00 52.13 C ATOM 539 O ASN A 34 -5.728 -15.684 -3.429 1.00 52.33 O ATOM 540 CB ASN A 34 -2.992 -15.719 -3.243 1.00 4.51 C ATOM 541 CG ASN A 34 -1.521 -16.020 -3.030 1.00 3.11 C ATOM 542 OD1 ASN A 34 -1.163 -17.046 -2.452 1.00 34.42 O ATOM 543 ND2 ASN A 34 -0.660 -15.124 -3.497 1.00 44.52 N ATOM 0 H ASN A 34 -2.548 -17.843 -5.465 1.00 33.23 H new ATOM 0 HA ASN A 34 -3.622 -17.756 -3.516 1.00 4.13 H new ATOM 0 HB2 ASN A 34 -3.094 -14.765 -3.760 1.00 4.51 H new ATOM 0 HB3 ASN A 34 -3.482 -15.611 -2.275 1.00 4.51 H new ATOM 0 HD21 ASN A 34 0.343 -15.272 -3.383 1.00 44.52 H new ATOM 0 HD22 ASN A 34 -1.001 -14.287 -3.970 1.00 44.52 H new ATOM 550 N MET A 35 -5.813 -17.048 -5.216 1.00 63.50 N ATOM 551 CA MET A 35 -7.227 -16.804 -5.473 1.00 51.52 C ATOM 552 C MET A 35 -8.065 -18.027 -5.115 1.00 4.12 C ATOM 553 O MET A 35 -9.295 -17.969 -5.104 1.00 62.11 O ATOM 554 CB MET A 35 -7.444 -16.435 -6.942 1.00 61.12 C ATOM 555 CG MET A 35 -8.623 -15.502 -7.167 1.00 44.01 C ATOM 556 SD MET A 35 -8.373 -13.877 -6.427 1.00 11.12 S ATOM 557 CE MET A 35 -9.205 -14.090 -4.855 1.00 2.31 C ATOM 0 H MET A 35 -5.371 -17.694 -5.870 1.00 63.50 H new ATOM 0 HA MET A 35 -7.546 -15.972 -4.845 1.00 51.52 H new ATOM 0 HB2 MET A 35 -6.540 -15.964 -7.327 1.00 61.12 H new ATOM 0 HB3 MET A 35 -7.598 -17.347 -7.518 1.00 61.12 H new ATOM 0 HG2 MET A 35 -8.792 -15.387 -8.238 1.00 44.01 H new ATOM 0 HG3 MET A 35 -9.523 -15.953 -6.749 1.00 44.01 H new ATOM 0 HE1 MET A 35 -10.017 -13.367 -4.772 1.00 2.31 H new ATOM 0 HE2 MET A 35 -9.611 -15.100 -4.792 1.00 2.31 H new ATOM 0 HE3 MET A 35 -8.495 -13.933 -4.043 1.00 2.31 H new ATOM 567 N THR A 36 -7.391 -19.135 -4.822 1.00 2.14 N ATOM 568 CA THR A 36 -8.073 -20.372 -4.464 1.00 61.21 C ATOM 569 C THR A 36 -7.882 -20.699 -2.987 1.00 45.35 C ATOM 570 O THR A 36 -8.088 -21.835 -2.562 1.00 55.05 O ATOM 571 CB THR A 36 -7.568 -21.557 -5.310 1.00 1.43 C ATOM 572 OG1 THR A 36 -6.185 -21.802 -5.032 1.00 62.12 O ATOM 573 CG2 THR A 36 -7.751 -21.279 -6.794 1.00 50.41 C ATOM 0 H THR A 36 -6.373 -19.201 -4.826 1.00 2.14 H new ATOM 0 HA THR A 36 -9.133 -20.217 -4.664 1.00 61.21 H new ATOM 0 HB THR A 36 -8.153 -22.438 -5.047 1.00 1.43 H new ATOM 0 HG1 THR A 36 -6.107 -22.377 -4.242 1.00 62.12 H new ATOM 0 HG21 THR A 36 -7.387 -22.129 -7.371 1.00 50.41 H new ATOM 0 HG22 THR A 36 -8.808 -21.121 -7.007 1.00 50.41 H new ATOM 0 HG23 THR A 36 -7.189 -20.387 -7.069 1.00 50.41 H new ATOM 581 N GLN A 37 -7.486 -19.695 -2.211 1.00 31.33 N ATOM 582 CA GLN A 37 -7.267 -19.877 -0.781 1.00 32.43 C ATOM 583 C GLN A 37 -8.589 -19.860 -0.021 1.00 15.11 C ATOM 584 O GLN A 37 -9.172 -18.801 0.207 1.00 50.41 O ATOM 585 CB GLN A 37 -6.341 -18.785 -0.242 1.00 33.40 C ATOM 586 CG GLN A 37 -4.902 -19.241 -0.063 1.00 72.53 C ATOM 587 CD GLN A 37 -4.150 -18.412 0.959 1.00 60.40 C ATOM 588 OE1 GLN A 37 -4.734 -17.574 1.647 1.00 62.25 O ATOM 589 NE2 GLN A 37 -2.846 -18.643 1.065 1.00 54.43 N ATOM 0 H GLN A 37 -7.311 -18.748 -2.548 1.00 31.33 H new ATOM 0 HA GLN A 37 -6.796 -20.849 -0.632 1.00 32.43 H new ATOM 0 HB2 GLN A 37 -6.362 -17.934 -0.923 1.00 33.40 H new ATOM 0 HB3 GLN A 37 -6.725 -18.436 0.717 1.00 33.40 H new ATOM 0 HG2 GLN A 37 -4.892 -20.287 0.245 1.00 72.53 H new ATOM 0 HG3 GLN A 37 -4.385 -19.186 -1.021 1.00 72.53 H new ATOM 0 HE21 GLN A 37 -2.403 -19.347 0.475 1.00 54.43 H new ATOM 0 HE22 GLN A 37 -2.288 -18.116 1.737 1.00 54.43 H new ATOM 598 N GLY A 38 -9.058 -21.042 0.369 1.00 54.43 N ATOM 599 CA GLY A 38 -10.309 -21.140 1.098 1.00 11.52 C ATOM 600 C GLY A 38 -11.417 -21.758 0.269 1.00 21.42 C ATOM 601 O GLY A 38 -12.166 -22.606 0.756 1.00 50.43 O ATOM 0 H GLY A 38 -8.594 -21.933 0.193 1.00 54.43 H new ATOM 0 HA2 GLY A 38 -10.156 -21.737 1.997 1.00 11.52 H new ATOM 0 HA3 GLY A 38 -10.615 -20.146 1.424 1.00 11.52 H new ATOM 605 N ARG A 39 -11.523 -21.334 -0.986 1.00 3.34 N ATOM 606 CA ARG A 39 -12.549 -21.850 -1.883 1.00 72.00 C ATOM 607 C ARG A 39 -11.982 -22.085 -3.280 1.00 0.10 C ATOM 608 O ARG A 39 -10.907 -21.588 -3.617 1.00 22.12 O ATOM 609 CB ARG A 39 -13.728 -20.878 -1.956 1.00 72.15 C ATOM 610 CG ARG A 39 -13.993 -20.143 -0.653 1.00 54.41 C ATOM 611 CD ARG A 39 -13.495 -18.707 -0.712 1.00 61.11 C ATOM 612 NE ARG A 39 -14.590 -17.744 -0.634 1.00 2.25 N ATOM 613 CZ ARG A 39 -14.506 -16.498 -1.086 1.00 11.42 C ATOM 614 NH1 ARG A 39 -13.385 -16.066 -1.646 1.00 63.22 N ATOM 615 NH2 ARG A 39 -15.546 -15.680 -0.978 1.00 61.33 N ATOM 0 H ARG A 39 -10.910 -20.634 -1.405 1.00 3.34 H new ATOM 0 HA ARG A 39 -12.897 -22.804 -1.486 1.00 72.00 H new ATOM 0 HB2 ARG A 39 -13.538 -20.148 -2.743 1.00 72.15 H new ATOM 0 HB3 ARG A 39 -14.624 -21.428 -2.242 1.00 72.15 H new ATOM 0 HG2 ARG A 39 -15.062 -20.150 -0.441 1.00 54.41 H new ATOM 0 HG3 ARG A 39 -13.502 -20.666 0.167 1.00 54.41 H new ATOM 0 HD2 ARG A 39 -12.799 -18.531 0.108 1.00 61.11 H new ATOM 0 HD3 ARG A 39 -12.942 -18.553 -1.639 1.00 61.11 H new ATOM 0 HE ARG A 39 -15.467 -18.045 -0.209 1.00 2.25 H new ATOM 0 HH11 ARG A 39 -12.583 -16.691 -1.731 1.00 63.22 H new ATOM 0 HH12 ARG A 39 -13.324 -15.108 -1.992 1.00 63.22 H new ATOM 0 HH21 ARG A 39 -16.411 -16.008 -0.548 1.00 61.33 H new ATOM 0 HH22 ARG A 39 -15.481 -14.723 -1.325 1.00 61.33 H new ATOM 629 N CYS A 40 -12.712 -22.846 -4.089 1.00 3.31 N ATOM 630 CA CYS A 40 -12.282 -23.148 -5.449 1.00 32.11 C ATOM 631 C CYS A 40 -12.988 -22.244 -6.456 1.00 30.52 C ATOM 632 O CYS A 40 -14.211 -22.287 -6.595 1.00 44.11 O ATOM 633 CB CYS A 40 -12.562 -24.615 -5.780 1.00 61.40 C ATOM 634 SG CYS A 40 -11.070 -25.658 -5.855 1.00 60.03 S ATOM 0 H CYS A 40 -13.604 -23.265 -3.826 1.00 3.31 H new ATOM 0 HA CYS A 40 -11.209 -22.966 -5.514 1.00 32.11 H new ATOM 0 HB2 CYS A 40 -13.240 -25.023 -5.030 1.00 61.40 H new ATOM 0 HB3 CYS A 40 -13.078 -24.668 -6.739 1.00 61.40 H new ATOM 639 N LYS A 41 -12.209 -21.427 -7.156 1.00 72.24 N ATOM 640 CA LYS A 41 -12.757 -20.514 -8.152 1.00 52.30 C ATOM 641 C LYS A 41 -13.650 -21.258 -9.140 1.00 12.32 C ATOM 642 O LYS A 41 -13.284 -22.301 -9.681 1.00 45.11 O ATOM 643 CB LYS A 41 -11.626 -19.807 -8.903 1.00 15.11 C ATOM 644 CG LYS A 41 -11.969 -18.387 -9.321 1.00 65.44 C ATOM 645 CD LYS A 41 -12.359 -17.533 -8.127 1.00 41.32 C ATOM 646 CE LYS A 41 -11.505 -16.277 -8.038 1.00 15.11 C ATOM 647 NZ LYS A 41 -12.044 -15.178 -8.887 1.00 34.52 N ATOM 0 H LYS A 41 -11.195 -21.378 -7.052 1.00 72.24 H new ATOM 0 HA LYS A 41 -13.361 -19.770 -7.633 1.00 52.30 H new ATOM 0 HB2 LYS A 41 -10.738 -19.786 -8.271 1.00 15.11 H new ATOM 0 HB3 LYS A 41 -11.372 -20.387 -9.790 1.00 15.11 H new ATOM 0 HG2 LYS A 41 -11.113 -17.939 -9.826 1.00 65.44 H new ATOM 0 HG3 LYS A 41 -12.789 -18.406 -10.039 1.00 65.44 H new ATOM 0 HD2 LYS A 41 -13.410 -17.255 -8.205 1.00 41.32 H new ATOM 0 HD3 LYS A 41 -12.250 -18.114 -7.211 1.00 41.32 H new ATOM 0 HE2 LYS A 41 -11.456 -15.944 -7.001 1.00 15.11 H new ATOM 0 HE3 LYS A 41 -10.486 -16.508 -8.347 1.00 15.11 H new ATOM 0 HZ1 LYS A 41 -11.434 -14.340 -8.799 1.00 34.52 H new ATOM 0 HZ2 LYS A 41 -12.067 -15.486 -9.880 1.00 34.52 H new ATOM 0 HZ3 LYS A 41 -13.007 -14.939 -8.576 1.00 34.52 H new ATOM 661 N PRO A 42 -14.850 -20.710 -9.383 1.00 13.04 N ATOM 662 CA PRO A 42 -15.819 -21.305 -10.308 1.00 52.41 C ATOM 663 C PRO A 42 -15.370 -21.204 -11.762 1.00 1.53 C ATOM 664 O PRO A 42 -15.380 -22.192 -12.495 1.00 74.05 O ATOM 665 CB PRO A 42 -17.084 -20.473 -10.080 1.00 41.12 C ATOM 666 CG PRO A 42 -16.589 -19.162 -9.573 1.00 71.34 C ATOM 667 CD PRO A 42 -15.353 -19.468 -8.773 1.00 14.32 C ATOM 0 HA PRO A 42 -15.955 -22.371 -10.126 1.00 52.41 H new ATOM 0 HB2 PRO A 42 -17.650 -20.352 -11.004 1.00 41.12 H new ATOM 0 HB3 PRO A 42 -17.748 -20.951 -9.360 1.00 41.12 H new ATOM 0 HG2 PRO A 42 -16.363 -18.485 -10.397 1.00 71.34 H new ATOM 0 HG3 PRO A 42 -17.342 -18.673 -8.956 1.00 71.34 H new ATOM 0 HD2 PRO A 42 -14.622 -18.663 -8.840 1.00 14.32 H new ATOM 0 HD3 PRO A 42 -15.582 -19.604 -7.716 1.00 14.32 H new ATOM 675 N VAL A 43 -14.975 -20.002 -12.172 1.00 62.51 N ATOM 676 CA VAL A 43 -14.520 -19.773 -13.538 1.00 41.22 C ATOM 677 C VAL A 43 -13.623 -18.543 -13.619 1.00 44.11 C ATOM 678 O VAL A 43 -13.599 -17.719 -12.706 1.00 44.53 O ATOM 679 CB VAL A 43 -15.707 -19.593 -14.502 1.00 54.44 C ATOM 680 CG1 VAL A 43 -15.229 -19.599 -15.946 1.00 41.02 C ATOM 681 CG2 VAL A 43 -16.749 -20.677 -14.272 1.00 71.15 C ATOM 0 H VAL A 43 -14.961 -19.173 -11.578 1.00 62.51 H new ATOM 0 HA VAL A 43 -13.951 -20.654 -13.834 1.00 41.22 H new ATOM 0 HB VAL A 43 -16.171 -18.627 -14.303 1.00 54.44 H new ATOM 0 HG11 VAL A 43 -16.082 -19.471 -16.612 1.00 41.02 H new ATOM 0 HG12 VAL A 43 -14.523 -18.783 -16.099 1.00 41.02 H new ATOM 0 HG13 VAL A 43 -14.739 -20.548 -16.163 1.00 41.02 H new ATOM 0 HG21 VAL A 43 -17.581 -20.534 -14.962 1.00 71.15 H new ATOM 0 HG22 VAL A 43 -16.300 -21.655 -14.443 1.00 71.15 H new ATOM 0 HG23 VAL A 43 -17.114 -20.619 -13.247 1.00 71.15 H new ATOM 691 N ASN A 44 -12.886 -18.426 -14.719 1.00 63.20 N ATOM 692 CA ASN A 44 -11.986 -17.296 -14.920 1.00 21.22 C ATOM 693 C ASN A 44 -11.483 -17.250 -16.359 1.00 70.35 C ATOM 694 O ASN A 44 -11.705 -18.179 -17.137 1.00 20.31 O ATOM 695 CB ASN A 44 -10.801 -17.384 -13.956 1.00 44.13 C ATOM 696 CG ASN A 44 -10.557 -16.081 -13.220 1.00 3.04 C ATOM 697 OD1 ASN A 44 -9.536 -15.423 -13.420 1.00 65.33 O ATOM 698 ND2 ASN A 44 -11.496 -15.702 -12.361 1.00 31.21 N ATOM 0 H ASN A 44 -12.894 -19.100 -15.485 1.00 63.20 H new ATOM 0 HA ASN A 44 -12.542 -16.380 -14.719 1.00 21.22 H new ATOM 0 HB2 ASN A 44 -10.983 -18.178 -13.232 1.00 44.13 H new ATOM 0 HB3 ASN A 44 -9.904 -17.658 -14.511 1.00 44.13 H new ATOM 0 HD21 ASN A 44 -11.387 -14.834 -11.836 1.00 31.21 H new ATOM 0 HD22 ASN A 44 -12.327 -16.278 -12.226 1.00 31.21 H new ATOM 705 N THR A 45 -10.803 -16.162 -16.709 1.00 32.51 N ATOM 706 CA THR A 45 -10.269 -15.994 -18.054 1.00 71.44 C ATOM 707 C THR A 45 -8.946 -15.237 -18.030 1.00 54.02 C ATOM 708 O THR A 45 -8.922 -14.014 -17.893 1.00 14.32 O ATOM 709 CB THR A 45 -11.261 -15.244 -18.963 1.00 1.41 C ATOM 710 OG1 THR A 45 -12.536 -15.895 -18.940 1.00 21.11 O ATOM 711 CG2 THR A 45 -10.744 -15.180 -20.392 1.00 40.11 C ATOM 0 H THR A 45 -10.609 -15.384 -16.078 1.00 32.51 H new ATOM 0 HA THR A 45 -10.105 -16.994 -18.456 1.00 71.44 H new ATOM 0 HB THR A 45 -11.367 -14.227 -18.586 1.00 1.41 H new ATOM 0 HG1 THR A 45 -13.161 -15.411 -19.519 1.00 21.11 H new ATOM 0 HG21 THR A 45 -11.461 -14.646 -21.015 1.00 40.11 H new ATOM 0 HG22 THR A 45 -9.788 -14.657 -20.410 1.00 40.11 H new ATOM 0 HG23 THR A 45 -10.612 -16.191 -20.777 1.00 40.11 H new ATOM 719 N PHE A 46 -7.847 -15.971 -18.165 1.00 61.11 N ATOM 720 CA PHE A 46 -6.519 -15.368 -18.158 1.00 53.14 C ATOM 721 C PHE A 46 -6.259 -14.611 -19.458 1.00 12.05 C ATOM 722 O PHE A 46 -7.119 -14.550 -20.336 1.00 51.34 O ATOM 723 CB PHE A 46 -5.449 -16.443 -17.958 1.00 3.40 C ATOM 724 CG PHE A 46 -5.128 -16.708 -16.515 1.00 12.43 C ATOM 725 CD1 PHE A 46 -6.099 -16.559 -15.537 1.00 44.31 C ATOM 726 CD2 PHE A 46 -3.856 -17.105 -16.136 1.00 31.14 C ATOM 727 CE1 PHE A 46 -5.807 -16.802 -14.208 1.00 71.11 C ATOM 728 CE2 PHE A 46 -3.559 -17.350 -14.808 1.00 61.44 C ATOM 729 CZ PHE A 46 -4.535 -17.197 -13.843 1.00 71.53 C ATOM 0 H PHE A 46 -7.849 -16.984 -18.281 1.00 61.11 H new ATOM 0 HA PHE A 46 -6.472 -14.660 -17.330 1.00 53.14 H new ATOM 0 HB2 PHE A 46 -5.785 -17.370 -18.423 1.00 3.40 H new ATOM 0 HB3 PHE A 46 -4.539 -16.139 -18.475 1.00 3.40 H new ATOM 0 HD1 PHE A 46 -7.095 -16.249 -15.817 1.00 44.31 H new ATOM 0 HD2 PHE A 46 -3.088 -17.224 -16.886 1.00 31.14 H new ATOM 0 HE1 PHE A 46 -6.573 -16.683 -13.456 1.00 71.11 H new ATOM 0 HE2 PHE A 46 -2.564 -17.661 -14.525 1.00 61.44 H new ATOM 0 HZ PHE A 46 -4.304 -17.386 -12.805 1.00 71.53 H new ATOM 739 N VAL A 47 -5.067 -14.035 -19.571 1.00 44.12 N ATOM 740 CA VAL A 47 -4.692 -13.282 -20.762 1.00 64.12 C ATOM 741 C VAL A 47 -3.200 -13.415 -21.049 1.00 52.50 C ATOM 742 O VAL A 47 -2.371 -13.305 -20.145 1.00 41.13 O ATOM 743 CB VAL A 47 -5.045 -11.790 -20.617 1.00 41.14 C ATOM 744 CG1 VAL A 47 -4.618 -11.017 -21.856 1.00 73.42 C ATOM 745 CG2 VAL A 47 -6.534 -11.618 -20.358 1.00 60.13 C ATOM 0 H VAL A 47 -4.344 -14.075 -18.852 1.00 44.12 H new ATOM 0 HA VAL A 47 -5.258 -13.702 -21.594 1.00 64.12 H new ATOM 0 HB VAL A 47 -4.502 -11.387 -19.762 1.00 41.14 H new ATOM 0 HG11 VAL A 47 -4.876 -9.965 -21.735 1.00 73.42 H new ATOM 0 HG12 VAL A 47 -3.541 -11.114 -21.992 1.00 73.42 H new ATOM 0 HG13 VAL A 47 -5.131 -11.418 -22.730 1.00 73.42 H new ATOM 0 HG21 VAL A 47 -6.766 -10.558 -20.258 1.00 60.13 H new ATOM 0 HG22 VAL A 47 -7.099 -12.036 -21.191 1.00 60.13 H new ATOM 0 HG23 VAL A 47 -6.806 -12.137 -19.439 1.00 60.13 H new ATOM 755 N HIS A 48 -2.865 -13.651 -22.314 1.00 10.35 N ATOM 756 CA HIS A 48 -1.472 -13.797 -22.721 1.00 30.14 C ATOM 757 C HIS A 48 -0.956 -12.513 -23.364 1.00 32.41 C ATOM 758 O HIS A 48 0.088 -12.511 -24.015 1.00 73.44 O ATOM 759 CB HIS A 48 -1.324 -14.965 -23.696 1.00 22.32 C ATOM 760 CG HIS A 48 -1.243 -16.301 -23.023 1.00 14.12 C ATOM 761 ND1 HIS A 48 -0.345 -16.583 -22.015 1.00 70.14 N ATOM 762 CD2 HIS A 48 -1.957 -17.434 -23.217 1.00 32.53 C ATOM 763 CE1 HIS A 48 -0.509 -17.833 -21.620 1.00 45.11 C ATOM 764 NE2 HIS A 48 -1.481 -18.372 -22.333 1.00 52.40 N ATOM 0 H HIS A 48 -3.539 -13.745 -23.074 1.00 10.35 H new ATOM 0 HA HIS A 48 -0.878 -14.000 -21.830 1.00 30.14 H new ATOM 0 HB2 HIS A 48 -2.171 -14.964 -24.382 1.00 22.32 H new ATOM 0 HB3 HIS A 48 -0.427 -14.815 -24.296 1.00 22.32 H new ATOM 0 HD1 HIS A 48 0.339 -15.929 -21.634 1.00 70.14 H new ATOM 0 HD2 HIS A 48 -2.753 -17.575 -23.933 1.00 32.53 H new ATOM 0 HE1 HIS A 48 0.056 -18.330 -20.845 1.00 45.11 H new ATOM 772 N GLU A 49 -1.696 -11.425 -23.177 1.00 4.44 N ATOM 773 CA GLU A 49 -1.312 -10.136 -23.740 1.00 55.44 C ATOM 774 C GLU A 49 -0.919 -9.155 -22.639 1.00 74.20 C ATOM 775 O GLU A 49 -1.423 -9.209 -21.517 1.00 2.32 O ATOM 776 CB GLU A 49 -2.460 -9.555 -24.569 1.00 71.13 C ATOM 777 CG GLU A 49 -2.211 -9.598 -26.068 1.00 34.54 C ATOM 778 CD GLU A 49 -2.344 -10.996 -26.641 1.00 22.12 C ATOM 779 OE1 GLU A 49 -2.361 -11.963 -25.851 1.00 10.23 O ATOM 780 OE2 GLU A 49 -2.430 -11.123 -27.880 1.00 54.53 O ATOM 0 H GLU A 49 -2.564 -11.410 -22.641 1.00 4.44 H new ATOM 0 HA GLU A 49 -0.449 -10.294 -24.386 1.00 55.44 H new ATOM 0 HB2 GLU A 49 -3.374 -10.106 -24.345 1.00 71.13 H new ATOM 0 HB3 GLU A 49 -2.628 -8.521 -24.267 1.00 71.13 H new ATOM 0 HG2 GLU A 49 -2.917 -8.935 -26.569 1.00 34.54 H new ATOM 0 HG3 GLU A 49 -1.212 -9.217 -26.278 1.00 34.54 H new ATOM 787 N PRO A 50 0.003 -8.238 -22.966 1.00 13.42 N ATOM 788 CA PRO A 50 0.485 -7.228 -22.019 1.00 15.50 C ATOM 789 C PRO A 50 -0.579 -6.185 -21.692 1.00 52.14 C ATOM 790 O PRO A 50 -1.314 -5.736 -22.573 1.00 41.42 O ATOM 791 CB PRO A 50 1.659 -6.580 -22.758 1.00 34.33 C ATOM 792 CG PRO A 50 1.363 -6.796 -24.202 1.00 31.13 C ATOM 793 CD PRO A 50 0.646 -8.115 -24.285 1.00 34.11 C ATOM 0 HA PRO A 50 0.757 -7.667 -21.059 1.00 15.50 H new ATOM 0 HB2 PRO A 50 1.736 -5.518 -22.524 1.00 34.33 H new ATOM 0 HB3 PRO A 50 2.607 -7.039 -22.475 1.00 34.33 H new ATOM 0 HG2 PRO A 50 0.745 -5.990 -24.598 1.00 31.13 H new ATOM 0 HG3 PRO A 50 2.281 -6.813 -24.790 1.00 31.13 H new ATOM 0 HD2 PRO A 50 -0.087 -8.124 -25.092 1.00 34.11 H new ATOM 0 HD3 PRO A 50 1.337 -8.937 -24.473 1.00 34.11 H new ATOM 801 N LEU A 51 -0.657 -5.803 -20.422 1.00 63.44 N ATOM 802 CA LEU A 51 -1.631 -4.812 -19.979 1.00 70.13 C ATOM 803 C LEU A 51 -1.635 -3.600 -20.906 1.00 30.51 C ATOM 804 O LEU A 51 -2.662 -3.257 -21.491 1.00 40.15 O ATOM 805 CB LEU A 51 -1.325 -4.372 -18.547 1.00 2.13 C ATOM 806 CG LEU A 51 -2.328 -3.408 -17.912 1.00 22.23 C ATOM 807 CD1 LEU A 51 -3.596 -4.145 -17.511 1.00 72.40 C ATOM 808 CD2 LEU A 51 -1.710 -2.712 -16.708 1.00 31.55 C ATOM 0 H LEU A 51 -0.057 -6.165 -19.681 1.00 63.44 H new ATOM 0 HA LEU A 51 -2.619 -5.272 -20.008 1.00 70.13 H new ATOM 0 HB2 LEU A 51 -1.260 -5.262 -17.921 1.00 2.13 H new ATOM 0 HB3 LEU A 51 -0.342 -3.902 -18.535 1.00 2.13 H new ATOM 0 HG LEU A 51 -2.591 -2.650 -18.649 1.00 22.23 H new ATOM 0 HD11 LEU A 51 -4.298 -3.443 -17.061 1.00 72.40 H new ATOM 0 HD12 LEU A 51 -4.049 -4.596 -18.394 1.00 72.40 H new ATOM 0 HD13 LEU A 51 -3.351 -4.925 -16.790 1.00 72.40 H new ATOM 0 HD21 LEU A 51 -2.438 -2.030 -16.269 1.00 31.55 H new ATOM 0 HD22 LEU A 51 -1.418 -3.457 -15.968 1.00 31.55 H new ATOM 0 HD23 LEU A 51 -0.831 -2.150 -17.024 1.00 31.55 H new ATOM 820 N VAL A 52 -0.479 -2.957 -21.036 1.00 21.42 N ATOM 821 CA VAL A 52 -0.348 -1.786 -21.894 1.00 21.00 C ATOM 822 C VAL A 52 -1.255 -1.895 -23.115 1.00 2.24 C ATOM 823 O VAL A 52 -1.875 -0.915 -23.529 1.00 32.40 O ATOM 824 CB VAL A 52 1.106 -1.594 -22.364 1.00 23.40 C ATOM 825 CG1 VAL A 52 1.492 -2.676 -23.362 1.00 10.31 C ATOM 826 CG2 VAL A 52 1.293 -0.210 -22.967 1.00 20.15 C ATOM 0 H VAL A 52 0.380 -3.228 -20.558 1.00 21.42 H new ATOM 0 HA VAL A 52 -0.646 -0.923 -21.299 1.00 21.00 H new ATOM 0 HB VAL A 52 1.763 -1.680 -21.499 1.00 23.40 H new ATOM 0 HG11 VAL A 52 2.523 -2.524 -23.683 1.00 10.31 H new ATOM 0 HG12 VAL A 52 1.399 -3.655 -22.892 1.00 10.31 H new ATOM 0 HG13 VAL A 52 0.831 -2.625 -24.227 1.00 10.31 H new ATOM 0 HG21 VAL A 52 2.326 -0.092 -23.294 1.00 20.15 H new ATOM 0 HG22 VAL A 52 0.627 -0.092 -23.822 1.00 20.15 H new ATOM 0 HG23 VAL A 52 1.060 0.547 -22.219 1.00 20.15 H new ATOM 836 N ASP A 53 -1.328 -3.092 -23.686 1.00 5.12 N ATOM 837 CA ASP A 53 -2.160 -3.330 -24.859 1.00 13.00 C ATOM 838 C ASP A 53 -3.634 -3.112 -24.532 1.00 74.32 C ATOM 839 O ASP A 53 -4.290 -2.249 -25.116 1.00 4.21 O ATOM 840 CB ASP A 53 -1.946 -4.751 -25.383 1.00 43.44 C ATOM 841 CG ASP A 53 -1.903 -4.808 -26.898 1.00 20.53 C ATOM 842 OD1 ASP A 53 -1.083 -4.081 -27.496 1.00 20.22 O ATOM 843 OD2 ASP A 53 -2.690 -5.580 -27.485 1.00 31.42 O ATOM 0 H ASP A 53 -0.821 -3.913 -23.355 1.00 5.12 H new ATOM 0 HA ASP A 53 -1.868 -2.619 -25.632 1.00 13.00 H new ATOM 0 HB2 ASP A 53 -1.014 -5.147 -24.981 1.00 43.44 H new ATOM 0 HB3 ASP A 53 -2.748 -5.394 -25.021 1.00 43.44 H new ATOM 848 N VAL A 54 -4.151 -3.902 -23.596 1.00 23.11 N ATOM 849 CA VAL A 54 -5.547 -3.796 -23.191 1.00 75.23 C ATOM 850 C VAL A 54 -5.890 -2.372 -22.767 1.00 73.54 C ATOM 851 O VAL A 54 -6.996 -1.891 -23.013 1.00 62.04 O ATOM 852 CB VAL A 54 -5.870 -4.757 -22.032 1.00 34.22 C ATOM 853 CG1 VAL A 54 -7.238 -4.444 -21.444 1.00 22.24 C ATOM 854 CG2 VAL A 54 -5.802 -6.202 -22.503 1.00 5.01 C ATOM 0 H VAL A 54 -3.623 -4.623 -23.104 1.00 23.11 H new ATOM 0 HA VAL A 54 -6.149 -4.069 -24.058 1.00 75.23 H new ATOM 0 HB VAL A 54 -5.124 -4.618 -21.250 1.00 34.22 H new ATOM 0 HG11 VAL A 54 -7.449 -5.133 -20.626 1.00 22.24 H new ATOM 0 HG12 VAL A 54 -7.247 -3.421 -21.068 1.00 22.24 H new ATOM 0 HG13 VAL A 54 -8.000 -4.553 -22.216 1.00 22.24 H new ATOM 0 HG21 VAL A 54 -6.033 -6.867 -21.671 1.00 5.01 H new ATOM 0 HG22 VAL A 54 -6.525 -6.358 -23.304 1.00 5.01 H new ATOM 0 HG23 VAL A 54 -4.799 -6.418 -22.872 1.00 5.01 H new ATOM 864 N GLN A 55 -4.935 -1.704 -22.130 1.00 25.42 N ATOM 865 CA GLN A 55 -5.136 -0.335 -21.671 1.00 50.14 C ATOM 866 C GLN A 55 -5.480 0.585 -22.839 1.00 22.35 C ATOM 867 O GLN A 55 -6.376 1.421 -22.739 1.00 12.32 O ATOM 868 CB GLN A 55 -3.884 0.175 -20.956 1.00 42.43 C ATOM 869 CG GLN A 55 -3.384 -0.757 -19.865 1.00 21.21 C ATOM 870 CD GLN A 55 -2.998 -0.019 -18.598 1.00 65.13 C ATOM 871 OE1 GLN A 55 -2.389 1.050 -18.650 1.00 42.13 O ATOM 872 NE2 GLN A 55 -3.350 -0.587 -17.451 1.00 11.11 N ATOM 0 H GLN A 55 -4.014 -2.088 -21.920 1.00 25.42 H new ATOM 0 HA GLN A 55 -5.971 -0.332 -20.971 1.00 50.14 H new ATOM 0 HB2 GLN A 55 -3.091 0.321 -21.689 1.00 42.43 H new ATOM 0 HB3 GLN A 55 -4.097 1.151 -20.519 1.00 42.43 H new ATOM 0 HG2 GLN A 55 -4.159 -1.488 -19.633 1.00 21.21 H new ATOM 0 HG3 GLN A 55 -2.522 -1.313 -20.234 1.00 21.21 H new ATOM 0 HE21 GLN A 55 -3.854 -1.474 -17.455 1.00 11.11 H new ATOM 0 HE22 GLN A 55 -3.116 -0.137 -16.566 1.00 11.11 H new ATOM 881 N ASN A 56 -4.760 0.424 -23.944 1.00 74.54 N ATOM 882 CA ASN A 56 -4.989 1.240 -25.131 1.00 1.43 C ATOM 883 C ASN A 56 -6.424 1.092 -25.625 1.00 75.54 C ATOM 884 O ASN A 56 -6.997 2.022 -26.193 1.00 2.35 O ATOM 885 CB ASN A 56 -4.012 0.849 -26.241 1.00 62.31 C ATOM 886 CG ASN A 56 -2.564 1.029 -25.827 1.00 50.24 C ATOM 887 OD1 ASN A 56 -2.243 1.892 -25.010 1.00 53.32 O ATOM 888 ND2 ASN A 56 -1.681 0.213 -26.392 1.00 14.21 N ATOM 0 H ASN A 56 -4.013 -0.264 -24.043 1.00 74.54 H new ATOM 0 HA ASN A 56 -4.823 2.283 -24.861 1.00 1.43 H new ATOM 0 HB2 ASN A 56 -4.181 -0.191 -26.520 1.00 62.31 H new ATOM 0 HB3 ASN A 56 -4.212 1.453 -27.126 1.00 62.31 H new ATOM 0 HD21 ASN A 56 -0.692 0.288 -26.153 1.00 14.21 H new ATOM 0 HD22 ASN A 56 -1.992 -0.488 -27.064 1.00 14.21 H new ATOM 895 N VAL A 57 -7.001 -0.086 -25.406 1.00 12.11 N ATOM 896 CA VAL A 57 -8.370 -0.357 -25.827 1.00 54.14 C ATOM 897 C VAL A 57 -9.331 0.694 -25.283 1.00 51.43 C ATOM 898 O VAL A 57 -10.210 1.177 -25.998 1.00 11.31 O ATOM 899 CB VAL A 57 -8.835 -1.750 -25.363 1.00 71.25 C ATOM 900 CG1 VAL A 57 -10.281 -1.993 -25.769 1.00 21.43 C ATOM 901 CG2 VAL A 57 -7.925 -2.830 -25.929 1.00 33.31 C ATOM 0 H VAL A 57 -6.541 -0.868 -24.939 1.00 12.11 H new ATOM 0 HA VAL A 57 -8.378 -0.323 -26.916 1.00 54.14 H new ATOM 0 HB VAL A 57 -8.777 -1.790 -24.275 1.00 71.25 H new ATOM 0 HG11 VAL A 57 -10.592 -2.982 -25.433 1.00 21.43 H new ATOM 0 HG12 VAL A 57 -10.919 -1.237 -25.312 1.00 21.43 H new ATOM 0 HG13 VAL A 57 -10.369 -1.934 -26.854 1.00 21.43 H new ATOM 0 HG21 VAL A 57 -8.268 -3.808 -25.591 1.00 33.31 H new ATOM 0 HG22 VAL A 57 -7.950 -2.793 -27.018 1.00 33.31 H new ATOM 0 HG23 VAL A 57 -6.905 -2.664 -25.584 1.00 33.31 H new ATOM 911 N CYS A 58 -9.158 1.046 -24.014 1.00 23.13 N ATOM 912 CA CYS A 58 -10.009 2.041 -23.372 1.00 23.51 C ATOM 913 C CYS A 58 -9.871 3.397 -24.057 1.00 14.21 C ATOM 914 O CYS A 58 -10.706 4.284 -23.874 1.00 45.23 O ATOM 915 CB CYS A 58 -9.652 2.167 -21.889 1.00 52.04 C ATOM 916 SG CYS A 58 -11.096 2.280 -20.785 1.00 32.25 S ATOM 0 H CYS A 58 -8.435 0.657 -23.409 1.00 23.13 H new ATOM 0 HA CYS A 58 -11.044 1.711 -23.463 1.00 23.51 H new ATOM 0 HB2 CYS A 58 -9.051 1.306 -21.596 1.00 52.04 H new ATOM 0 HB3 CYS A 58 -9.031 3.052 -21.749 1.00 52.04 H new ATOM 921 N PHE A 59 -8.813 3.551 -24.846 1.00 74.12 N ATOM 922 CA PHE A 59 -8.566 4.799 -25.558 1.00 43.13 C ATOM 923 C PHE A 59 -8.799 4.626 -27.056 1.00 45.13 C ATOM 924 O PHE A 59 -8.751 5.592 -27.817 1.00 55.22 O ATOM 925 CB PHE A 59 -7.135 5.280 -25.305 1.00 55.22 C ATOM 926 CG PHE A 59 -6.725 5.207 -23.862 1.00 40.22 C ATOM 927 CD1 PHE A 59 -7.531 5.744 -22.871 1.00 61.20 C ATOM 928 CD2 PHE A 59 -5.534 4.602 -23.497 1.00 24.51 C ATOM 929 CE1 PHE A 59 -7.155 5.679 -21.543 1.00 20.44 C ATOM 930 CE2 PHE A 59 -5.153 4.533 -22.170 1.00 24.10 C ATOM 931 CZ PHE A 59 -5.965 5.071 -21.192 1.00 11.45 C ATOM 0 H PHE A 59 -8.113 2.827 -25.008 1.00 74.12 H new ATOM 0 HA PHE A 59 -9.265 5.547 -25.184 1.00 43.13 H new ATOM 0 HB2 PHE A 59 -6.448 4.679 -25.901 1.00 55.22 H new ATOM 0 HB3 PHE A 59 -7.040 6.310 -25.650 1.00 55.22 H new ATOM 0 HD1 PHE A 59 -8.463 6.219 -23.140 1.00 61.20 H new ATOM 0 HD2 PHE A 59 -4.895 4.179 -24.258 1.00 24.51 H new ATOM 0 HE1 PHE A 59 -7.791 6.103 -20.780 1.00 20.44 H new ATOM 0 HE2 PHE A 59 -4.221 4.059 -21.899 1.00 24.10 H new ATOM 0 HZ PHE A 59 -5.671 5.017 -20.154 1.00 11.45 H new ATOM 941 N GLN A 60 -9.049 3.388 -27.471 1.00 40.51 N ATOM 942 CA GLN A 60 -9.288 3.088 -28.878 1.00 3.41 C ATOM 943 C GLN A 60 -10.782 3.001 -29.170 1.00 11.21 C ATOM 944 O GLN A 60 -11.301 3.724 -30.020 1.00 4.00 O ATOM 945 CB GLN A 60 -8.603 1.776 -29.265 1.00 1.43 C ATOM 946 CG GLN A 60 -7.088 1.880 -29.339 1.00 71.31 C ATOM 947 CD GLN A 60 -6.542 1.483 -30.697 1.00 11.04 C ATOM 948 OE1 GLN A 60 -6.556 2.275 -31.640 1.00 23.25 O ATOM 949 NE2 GLN A 60 -6.057 0.251 -30.803 1.00 52.41 N ATOM 0 H GLN A 60 -9.091 2.577 -26.853 1.00 40.51 H new ATOM 0 HA GLN A 60 -8.867 3.899 -29.473 1.00 3.41 H new ATOM 0 HB2 GLN A 60 -8.871 1.008 -28.540 1.00 1.43 H new ATOM 0 HB3 GLN A 60 -8.984 1.448 -30.232 1.00 1.43 H new ATOM 0 HG2 GLN A 60 -6.786 2.903 -29.115 1.00 71.31 H new ATOM 0 HG3 GLN A 60 -6.646 1.243 -28.573 1.00 71.31 H new ATOM 0 HE21 GLN A 60 -6.066 -0.372 -29.995 1.00 52.41 H new ATOM 0 HE22 GLN A 60 -5.676 -0.072 -31.692 1.00 52.41 H new ATOM 958 N GLU A 61 -11.468 2.111 -28.460 1.00 1.15 N ATOM 959 CA GLU A 61 -12.903 1.929 -28.644 1.00 41.44 C ATOM 960 C GLU A 61 -13.633 1.967 -27.305 1.00 52.51 C ATOM 961 O GLU A 61 -13.013 2.098 -26.250 1.00 3.23 O ATOM 962 CB GLU A 61 -13.184 0.603 -29.354 1.00 12.04 C ATOM 963 CG GLU A 61 -14.485 0.597 -30.139 1.00 63.15 C ATOM 964 CD GLU A 61 -14.442 -0.339 -31.331 1.00 64.44 C ATOM 965 OE1 GLU A 61 -14.154 -1.539 -31.133 1.00 12.41 O ATOM 966 OE2 GLU A 61 -14.695 0.126 -32.462 1.00 2.31 O ATOM 0 H GLU A 61 -11.053 1.505 -27.752 1.00 1.15 H new ATOM 0 HA GLU A 61 -13.271 2.749 -29.261 1.00 41.44 H new ATOM 0 HB2 GLU A 61 -12.359 0.381 -30.032 1.00 12.04 H new ATOM 0 HB3 GLU A 61 -13.212 -0.197 -28.614 1.00 12.04 H new ATOM 0 HG2 GLU A 61 -15.302 0.303 -29.480 1.00 63.15 H new ATOM 0 HG3 GLU A 61 -14.702 1.608 -30.483 1.00 63.15 H new ATOM 973 N LYS A 62 -14.956 1.853 -27.356 1.00 20.12 N ATOM 974 CA LYS A 62 -15.773 1.873 -26.148 1.00 50.23 C ATOM 975 C LYS A 62 -17.011 0.997 -26.314 1.00 44.11 C ATOM 976 O LYS A 62 -17.401 0.661 -27.432 1.00 42.54 O ATOM 977 CB LYS A 62 -16.191 3.307 -25.815 1.00 12.12 C ATOM 978 CG LYS A 62 -15.053 4.167 -25.292 1.00 71.44 C ATOM 979 CD LYS A 62 -15.366 5.648 -25.426 1.00 30.50 C ATOM 980 CE LYS A 62 -14.430 6.328 -26.413 1.00 2.23 C ATOM 981 NZ LYS A 62 -13.998 7.670 -25.932 1.00 61.02 N ATOM 0 H LYS A 62 -15.485 1.746 -28.221 1.00 20.12 H new ATOM 0 HA LYS A 62 -15.175 1.475 -25.328 1.00 50.23 H new ATOM 0 HB2 LYS A 62 -16.606 3.772 -26.709 1.00 12.12 H new ATOM 0 HB3 LYS A 62 -16.987 3.281 -25.071 1.00 12.12 H new ATOM 0 HG2 LYS A 62 -14.866 3.927 -24.245 1.00 71.44 H new ATOM 0 HG3 LYS A 62 -14.140 3.936 -25.840 1.00 71.44 H new ATOM 0 HD2 LYS A 62 -16.398 5.775 -25.755 1.00 30.50 H new ATOM 0 HD3 LYS A 62 -15.281 6.129 -24.451 1.00 30.50 H new ATOM 0 HE2 LYS A 62 -13.554 5.700 -26.574 1.00 2.23 H new ATOM 0 HE3 LYS A 62 -14.930 6.431 -27.376 1.00 2.23 H new ATOM 0 HZ1 LYS A 62 -13.361 8.101 -26.632 1.00 61.02 H new ATOM 0 HZ2 LYS A 62 -14.832 8.277 -25.802 1.00 61.02 H new ATOM 0 HZ3 LYS A 62 -13.499 7.570 -25.025 1.00 61.02 H new ATOM 995 N VAL A 63 -17.625 0.631 -25.194 1.00 32.33 N ATOM 996 CA VAL A 63 -18.820 -0.204 -25.215 1.00 73.22 C ATOM 997 C VAL A 63 -19.688 0.046 -23.987 1.00 41.40 C ATOM 998 O VAL A 63 -19.334 0.839 -23.113 1.00 62.14 O ATOM 999 CB VAL A 63 -18.459 -1.700 -25.278 1.00 62.12 C ATOM 1000 CG1 VAL A 63 -17.295 -1.929 -26.230 1.00 43.33 C ATOM 1001 CG2 VAL A 63 -18.134 -2.228 -23.889 1.00 62.21 C ATOM 0 H VAL A 63 -17.315 0.900 -24.260 1.00 32.33 H new ATOM 0 HA VAL A 63 -19.378 0.066 -26.112 1.00 73.22 H new ATOM 0 HB VAL A 63 -19.321 -2.248 -25.658 1.00 62.12 H new ATOM 0 HG11 VAL A 63 -17.054 -2.992 -26.261 1.00 43.33 H new ATOM 0 HG12 VAL A 63 -17.570 -1.589 -27.229 1.00 43.33 H new ATOM 0 HG13 VAL A 63 -16.426 -1.370 -25.883 1.00 43.33 H new ATOM 0 HG21 VAL A 63 -17.881 -3.286 -23.952 1.00 62.21 H new ATOM 0 HG22 VAL A 63 -17.288 -1.677 -23.479 1.00 62.21 H new ATOM 0 HG23 VAL A 63 -19.000 -2.100 -23.239 1.00 62.21 H new ATOM 1011 N THR A 64 -20.828 -0.635 -23.925 1.00 41.03 N ATOM 1012 CA THR A 64 -21.747 -0.486 -22.805 1.00 35.35 C ATOM 1013 C THR A 64 -21.388 -1.437 -21.669 1.00 31.34 C ATOM 1014 O THR A 64 -20.667 -2.415 -21.869 1.00 32.44 O ATOM 1015 CB THR A 64 -23.204 -0.745 -23.234 1.00 63.55 C ATOM 1016 OG1 THR A 64 -23.366 -0.440 -24.624 1.00 61.41 O ATOM 1017 CG2 THR A 64 -24.169 0.093 -22.410 1.00 42.00 C ATOM 0 H THR A 64 -21.136 -1.296 -24.638 1.00 41.03 H new ATOM 0 HA THR A 64 -21.656 0.543 -22.457 1.00 35.35 H new ATOM 0 HB THR A 64 -23.428 -1.798 -23.064 1.00 63.55 H new ATOM 0 HG1 THR A 64 -24.294 -0.609 -24.890 1.00 61.41 H new ATOM 0 HG21 THR A 64 -25.191 -0.107 -22.732 1.00 42.00 H new ATOM 0 HG22 THR A 64 -24.064 -0.162 -21.356 1.00 42.00 H new ATOM 0 HG23 THR A 64 -23.945 1.150 -22.551 1.00 42.00 H new ATOM 1025 N CYS A 65 -21.895 -1.145 -20.476 1.00 12.03 N ATOM 1026 CA CYS A 65 -21.628 -1.974 -19.307 1.00 31.04 C ATOM 1027 C CYS A 65 -22.923 -2.550 -18.741 1.00 11.44 C ATOM 1028 O CYS A 65 -24.016 -2.078 -19.057 1.00 22.24 O ATOM 1029 CB CYS A 65 -20.907 -1.159 -18.232 1.00 24.05 C ATOM 1030 SG CYS A 65 -19.163 -1.628 -17.988 1.00 33.22 S ATOM 0 H CYS A 65 -22.494 -0.340 -20.293 1.00 12.03 H new ATOM 0 HA CYS A 65 -20.988 -2.800 -19.617 1.00 31.04 H new ATOM 0 HB2 CYS A 65 -20.954 -0.103 -18.499 1.00 24.05 H new ATOM 0 HB3 CYS A 65 -21.438 -1.273 -17.287 1.00 24.05 H new ATOM 1035 N LYS A 66 -22.793 -3.572 -17.902 1.00 3.43 N ATOM 1036 CA LYS A 66 -23.951 -4.212 -17.289 1.00 43.02 C ATOM 1037 C LYS A 66 -24.968 -3.172 -16.831 1.00 74.22 C ATOM 1038 O LYS A 66 -26.174 -3.360 -16.986 1.00 72.32 O ATOM 1039 CB LYS A 66 -23.515 -5.072 -16.101 1.00 64.21 C ATOM 1040 CG LYS A 66 -23.691 -6.563 -16.332 1.00 54.01 C ATOM 1041 CD LYS A 66 -24.675 -7.168 -15.344 1.00 42.41 C ATOM 1042 CE LYS A 66 -25.551 -8.222 -16.004 1.00 4.22 C ATOM 1043 NZ LYS A 66 -24.832 -9.515 -16.171 1.00 25.15 N ATOM 0 H LYS A 66 -21.896 -3.975 -17.631 1.00 3.43 H new ATOM 0 HA LYS A 66 -24.421 -4.849 -18.038 1.00 43.02 H new ATOM 0 HB2 LYS A 66 -22.467 -4.868 -15.881 1.00 64.21 H new ATOM 0 HB3 LYS A 66 -24.088 -4.779 -15.221 1.00 64.21 H new ATOM 0 HG2 LYS A 66 -24.043 -6.736 -17.349 1.00 54.01 H new ATOM 0 HG3 LYS A 66 -22.727 -7.063 -16.239 1.00 54.01 H new ATOM 0 HD2 LYS A 66 -24.129 -7.615 -14.513 1.00 42.41 H new ATOM 0 HD3 LYS A 66 -25.303 -6.381 -14.926 1.00 42.41 H new ATOM 0 HE2 LYS A 66 -26.446 -8.379 -15.402 1.00 4.22 H new ATOM 0 HE3 LYS A 66 -25.881 -7.862 -16.978 1.00 4.22 H new ATOM 0 HZ1 LYS A 66 -25.463 -10.207 -16.624 1.00 25.15 H new ATOM 0 HZ2 LYS A 66 -23.992 -9.371 -16.766 1.00 25.15 H new ATOM 0 HZ3 LYS A 66 -24.539 -9.872 -15.239 1.00 25.15 H new ATOM 1057 N ASN A 67 -24.474 -2.075 -16.268 1.00 2.32 N ATOM 1058 CA ASN A 67 -25.341 -1.005 -15.788 1.00 41.53 C ATOM 1059 C ASN A 67 -25.966 -0.247 -16.956 1.00 1.44 C ATOM 1060 O ASN A 67 -27.152 0.078 -16.934 1.00 52.44 O ATOM 1061 CB ASN A 67 -24.551 -0.038 -14.903 1.00 34.54 C ATOM 1062 CG ASN A 67 -25.231 1.311 -14.770 1.00 63.21 C ATOM 1063 OD1 ASN A 67 -26.247 1.442 -14.088 1.00 1.33 O ATOM 1064 ND2 ASN A 67 -24.671 2.322 -15.424 1.00 61.33 N ATOM 0 H ASN A 67 -23.478 -1.903 -16.133 1.00 2.32 H new ATOM 0 HA ASN A 67 -26.140 -1.455 -15.199 1.00 41.53 H new ATOM 0 HB2 ASN A 67 -24.424 -0.477 -13.913 1.00 34.54 H new ATOM 0 HB3 ASN A 67 -23.554 0.100 -15.321 1.00 34.54 H new ATOM 0 HD21 ASN A 67 -25.083 3.254 -15.373 1.00 61.33 H new ATOM 0 HD22 ASN A 67 -23.828 2.167 -15.978 1.00 61.33 H new ATOM 1071 N GLY A 68 -25.158 0.031 -17.974 1.00 41.44 N ATOM 1072 CA GLY A 68 -25.649 0.748 -19.137 1.00 11.34 C ATOM 1073 C GLY A 68 -24.877 2.026 -19.399 1.00 1.02 C ATOM 1074 O GLY A 68 -25.427 2.994 -19.924 1.00 63.52 O ATOM 0 H GLY A 68 -24.172 -0.227 -18.015 1.00 41.44 H new ATOM 0 HA2 GLY A 68 -25.584 0.102 -20.012 1.00 11.34 H new ATOM 0 HA3 GLY A 68 -26.703 0.987 -18.995 1.00 11.34 H new ATOM 1078 N GLN A 69 -23.600 2.030 -19.031 1.00 21.05 N ATOM 1079 CA GLN A 69 -22.752 3.200 -19.227 1.00 73.01 C ATOM 1080 C GLN A 69 -21.501 2.839 -20.021 1.00 21.44 C ATOM 1081 O GLN A 69 -21.199 1.663 -20.221 1.00 23.01 O ATOM 1082 CB GLN A 69 -22.358 3.803 -17.878 1.00 14.23 C ATOM 1083 CG GLN A 69 -23.432 4.692 -17.272 1.00 54.41 C ATOM 1084 CD GLN A 69 -23.015 5.288 -15.942 1.00 34.43 C ATOM 1085 OE1 GLN A 69 -22.847 6.501 -15.817 1.00 22.01 O ATOM 1086 NE2 GLN A 69 -22.847 4.435 -14.938 1.00 62.41 N ATOM 0 H GLN A 69 -23.130 1.236 -18.596 1.00 21.05 H new ATOM 0 HA GLN A 69 -23.320 3.938 -19.794 1.00 73.01 H new ATOM 0 HB2 GLN A 69 -22.130 2.996 -17.181 1.00 14.23 H new ATOM 0 HB3 GLN A 69 -21.444 4.384 -18.002 1.00 14.23 H new ATOM 0 HG2 GLN A 69 -23.668 5.497 -17.968 1.00 54.41 H new ATOM 0 HG3 GLN A 69 -24.344 4.111 -17.135 1.00 54.41 H new ATOM 0 HE21 GLN A 69 -22.997 3.437 -15.086 1.00 62.41 H new ATOM 0 HE22 GLN A 69 -22.568 4.778 -14.019 1.00 62.41 H new ATOM 1095 N GLY A 70 -20.776 3.858 -20.471 1.00 12.53 N ATOM 1096 CA GLY A 70 -19.566 3.627 -21.238 1.00 11.23 C ATOM 1097 C GLY A 70 -18.382 3.272 -20.360 1.00 35.20 C ATOM 1098 O GLY A 70 -17.268 3.738 -20.591 1.00 41.20 O ATOM 0 H GLY A 70 -21.005 4.840 -20.318 1.00 12.53 H new ATOM 0 HA2 GLY A 70 -19.740 2.821 -21.951 1.00 11.23 H new ATOM 0 HA3 GLY A 70 -19.330 4.520 -21.817 1.00 11.23 H new ATOM 1102 N ASN A 71 -18.625 2.444 -19.349 1.00 11.34 N ATOM 1103 CA ASN A 71 -17.570 2.028 -18.431 1.00 53.44 C ATOM 1104 C ASN A 71 -16.819 0.818 -18.979 1.00 13.43 C ATOM 1105 O ASN A 71 -15.746 0.466 -18.489 1.00 1.23 O ATOM 1106 CB ASN A 71 -18.160 1.698 -17.059 1.00 11.53 C ATOM 1107 CG ASN A 71 -17.095 1.571 -15.987 1.00 43.30 C ATOM 1108 OD1 ASN A 71 -17.033 2.378 -15.059 1.00 21.42 O ATOM 1109 ND2 ASN A 71 -16.249 0.555 -16.111 1.00 71.03 N ATOM 0 H ASN A 71 -19.542 2.048 -19.145 1.00 11.34 H new ATOM 0 HA ASN A 71 -16.866 2.854 -18.327 1.00 53.44 H new ATOM 0 HB2 ASN A 71 -18.867 2.477 -16.774 1.00 11.53 H new ATOM 0 HB3 ASN A 71 -18.721 0.765 -17.122 1.00 11.53 H new ATOM 0 HD21 ASN A 71 -15.510 0.419 -15.421 1.00 71.03 H new ATOM 0 HD22 ASN A 71 -16.338 -0.090 -16.897 1.00 71.03 H new ATOM 1116 N CYS A 72 -17.391 0.186 -19.998 1.00 64.11 N ATOM 1117 CA CYS A 72 -16.777 -0.985 -20.613 1.00 43.54 C ATOM 1118 C CYS A 72 -16.153 -0.627 -21.960 1.00 21.25 C ATOM 1119 O CYS A 72 -16.416 0.440 -22.514 1.00 15.10 O ATOM 1120 CB CYS A 72 -17.815 -2.093 -20.798 1.00 63.22 C ATOM 1121 SG CYS A 72 -18.400 -2.831 -19.239 1.00 12.11 S ATOM 0 H CYS A 72 -18.279 0.465 -20.416 1.00 64.11 H new ATOM 0 HA CYS A 72 -15.989 -1.342 -19.950 1.00 43.54 H new ATOM 0 HB2 CYS A 72 -18.670 -1.688 -21.339 1.00 63.22 H new ATOM 0 HB3 CYS A 72 -17.386 -2.878 -21.421 1.00 63.22 H new ATOM 1126 N TYR A 73 -15.326 -1.527 -22.479 1.00 45.01 N ATOM 1127 CA TYR A 73 -14.662 -1.306 -23.759 1.00 34.52 C ATOM 1128 C TYR A 73 -14.222 -2.629 -24.379 1.00 54.15 C ATOM 1129 O TYR A 73 -13.953 -3.601 -23.674 1.00 3.14 O ATOM 1130 CB TYR A 73 -13.453 -0.388 -23.579 1.00 1.54 C ATOM 1131 CG TYR A 73 -13.676 0.716 -22.569 1.00 62.22 C ATOM 1132 CD1 TYR A 73 -13.654 0.452 -21.205 1.00 61.34 C ATOM 1133 CD2 TYR A 73 -13.908 2.023 -22.980 1.00 5.05 C ATOM 1134 CE1 TYR A 73 -13.858 1.457 -20.280 1.00 21.42 C ATOM 1135 CE2 TYR A 73 -14.111 3.035 -22.061 1.00 30.30 C ATOM 1136 CZ TYR A 73 -14.086 2.746 -20.712 1.00 42.44 C ATOM 1137 OH TYR A 73 -14.288 3.750 -19.793 1.00 50.54 O ATOM 0 H TYR A 73 -15.099 -2.416 -22.034 1.00 45.01 H new ATOM 0 HA TYR A 73 -15.375 -0.829 -24.431 1.00 34.52 H new ATOM 0 HB2 TYR A 73 -12.596 -0.986 -23.268 1.00 1.54 H new ATOM 0 HB3 TYR A 73 -13.199 0.057 -24.541 1.00 1.54 H new ATOM 0 HD1 TYR A 73 -13.474 -0.556 -20.862 1.00 61.34 H new ATOM 0 HD2 TYR A 73 -13.930 2.252 -24.035 1.00 5.05 H new ATOM 0 HE1 TYR A 73 -13.839 1.234 -19.223 1.00 21.42 H new ATOM 0 HE2 TYR A 73 -14.288 4.046 -22.397 1.00 30.30 H new ATOM 0 HH TYR A 73 -13.459 3.910 -19.296 1.00 50.54 H new ATOM 1147 N LYS A 74 -14.152 -2.658 -25.706 1.00 3.30 N ATOM 1148 CA LYS A 74 -13.743 -3.858 -26.425 1.00 22.40 C ATOM 1149 C LYS A 74 -12.431 -3.627 -27.168 1.00 61.42 C ATOM 1150 O LYS A 74 -12.228 -2.576 -27.776 1.00 23.50 O ATOM 1151 CB LYS A 74 -14.833 -4.283 -27.412 1.00 44.41 C ATOM 1152 CG LYS A 74 -15.896 -5.176 -26.797 1.00 61.13 C ATOM 1153 CD LYS A 74 -17.125 -5.274 -27.686 1.00 45.50 C ATOM 1154 CE LYS A 74 -18.166 -6.212 -27.096 1.00 51.12 C ATOM 1155 NZ LYS A 74 -19.195 -6.600 -28.100 1.00 61.34 N ATOM 0 H LYS A 74 -14.374 -1.863 -26.305 1.00 3.30 H new ATOM 0 HA LYS A 74 -13.592 -4.654 -25.696 1.00 22.40 H new ATOM 0 HB2 LYS A 74 -15.310 -3.392 -27.819 1.00 44.41 H new ATOM 0 HB3 LYS A 74 -14.370 -4.807 -28.248 1.00 44.41 H new ATOM 0 HG2 LYS A 74 -15.485 -6.172 -26.632 1.00 61.13 H new ATOM 0 HG3 LYS A 74 -16.182 -4.784 -25.821 1.00 61.13 H new ATOM 0 HD2 LYS A 74 -17.560 -4.283 -27.818 1.00 45.50 H new ATOM 0 HD3 LYS A 74 -16.833 -5.628 -28.675 1.00 45.50 H new ATOM 0 HE2 LYS A 74 -17.674 -7.107 -26.715 1.00 51.12 H new ATOM 0 HE3 LYS A 74 -18.650 -5.729 -26.247 1.00 51.12 H new ATOM 0 HZ1 LYS A 74 -19.886 -7.240 -27.659 1.00 61.34 H new ATOM 0 HZ2 LYS A 74 -19.682 -5.748 -28.445 1.00 61.34 H new ATOM 0 HZ3 LYS A 74 -18.736 -7.083 -28.898 1.00 61.34 H new ATOM 1169 N SER A 75 -11.544 -4.617 -27.116 1.00 55.53 N ATOM 1170 CA SER A 75 -10.251 -4.520 -27.783 1.00 11.42 C ATOM 1171 C SER A 75 -10.427 -4.232 -29.271 1.00 10.33 C ATOM 1172 O SER A 75 -11.393 -4.675 -29.890 1.00 20.42 O ATOM 1173 CB SER A 75 -9.457 -5.814 -27.592 1.00 54.54 C ATOM 1174 OG SER A 75 -10.215 -6.941 -27.997 1.00 43.34 O ATOM 0 H SER A 75 -11.698 -5.494 -26.619 1.00 55.53 H new ATOM 0 HA SER A 75 -9.699 -3.694 -27.334 1.00 11.42 H new ATOM 0 HB2 SER A 75 -8.533 -5.766 -28.169 1.00 54.54 H new ATOM 0 HB3 SER A 75 -9.174 -5.919 -26.545 1.00 54.54 H new ATOM 0 HG SER A 75 -9.842 -7.305 -28.827 1.00 43.34 H new ATOM 1180 N ASN A 76 -9.485 -3.485 -29.838 1.00 11.12 N ATOM 1181 CA ASN A 76 -9.535 -3.136 -31.253 1.00 71.20 C ATOM 1182 C ASN A 76 -9.355 -4.375 -32.125 1.00 73.02 C ATOM 1183 O ASN A 76 -9.917 -4.465 -33.217 1.00 33.44 O ATOM 1184 CB ASN A 76 -8.455 -2.105 -31.584 1.00 1.50 C ATOM 1185 CG ASN A 76 -8.875 -1.164 -32.697 1.00 31.10 C ATOM 1186 OD1 ASN A 76 -9.373 -1.598 -33.736 1.00 50.41 O ATOM 1187 ND2 ASN A 76 -8.675 0.131 -32.484 1.00 15.33 N ATOM 0 H ASN A 76 -8.678 -3.110 -29.339 1.00 11.12 H new ATOM 0 HA ASN A 76 -10.515 -2.706 -31.461 1.00 71.20 H new ATOM 0 HB2 ASN A 76 -8.224 -1.526 -30.690 1.00 1.50 H new ATOM 0 HB3 ASN A 76 -7.540 -2.622 -31.875 1.00 1.50 H new ATOM 0 HD21 ASN A 76 -8.937 0.812 -33.197 1.00 15.33 H new ATOM 0 HD22 ASN A 76 -8.259 0.445 -31.607 1.00 15.33 H new ATOM 1194 N SER A 77 -8.568 -5.328 -31.635 1.00 53.34 N ATOM 1195 CA SER A 77 -8.311 -6.560 -32.371 1.00 73.21 C ATOM 1196 C SER A 77 -8.205 -7.748 -31.420 1.00 70.51 C ATOM 1197 O SER A 77 -8.065 -7.578 -30.209 1.00 52.21 O ATOM 1198 CB SER A 77 -7.026 -6.432 -33.190 1.00 44.53 C ATOM 1199 OG SER A 77 -6.156 -5.465 -32.627 1.00 15.53 O ATOM 0 H SER A 77 -8.098 -5.270 -30.732 1.00 53.34 H new ATOM 0 HA SER A 77 -9.148 -6.731 -33.048 1.00 73.21 H new ATOM 0 HB2 SER A 77 -6.522 -7.397 -33.234 1.00 44.53 H new ATOM 0 HB3 SER A 77 -7.271 -6.153 -34.215 1.00 44.53 H new ATOM 0 HG SER A 77 -5.341 -5.403 -33.168 1.00 15.53 H new ATOM 1205 N SER A 78 -8.273 -8.953 -31.978 1.00 44.12 N ATOM 1206 CA SER A 78 -8.188 -10.171 -31.181 1.00 10.24 C ATOM 1207 C SER A 78 -6.956 -10.146 -30.281 1.00 32.42 C ATOM 1208 O SER A 78 -5.909 -9.623 -30.658 1.00 44.45 O ATOM 1209 CB SER A 78 -8.144 -11.400 -32.091 1.00 15.32 C ATOM 1210 OG SER A 78 -7.078 -11.309 -33.019 1.00 61.04 O ATOM 0 H SER A 78 -8.387 -9.111 -32.979 1.00 44.12 H new ATOM 0 HA SER A 78 -9.076 -10.226 -30.551 1.00 10.24 H new ATOM 0 HB2 SER A 78 -8.029 -12.300 -31.487 1.00 15.32 H new ATOM 0 HB3 SER A 78 -9.089 -11.494 -32.626 1.00 15.32 H new ATOM 0 HG SER A 78 -7.070 -12.107 -33.588 1.00 61.04 H new ATOM 1216 N MET A 79 -7.091 -10.717 -29.088 1.00 70.32 N ATOM 1217 CA MET A 79 -5.989 -10.762 -28.134 1.00 71.51 C ATOM 1218 C MET A 79 -5.843 -12.159 -27.538 1.00 41.02 C ATOM 1219 O MET A 79 -6.815 -12.747 -27.064 1.00 73.42 O ATOM 1220 CB MET A 79 -6.210 -9.740 -27.018 1.00 54.31 C ATOM 1221 CG MET A 79 -5.249 -8.563 -27.073 1.00 32.34 C ATOM 1222 SD MET A 79 -6.065 -7.020 -27.526 1.00 62.53 S ATOM 1223 CE MET A 79 -5.766 -6.036 -26.060 1.00 42.34 C ATOM 0 H MET A 79 -7.952 -11.154 -28.759 1.00 70.32 H new ATOM 0 HA MET A 79 -5.070 -10.515 -28.666 1.00 71.51 H new ATOM 0 HB2 MET A 79 -7.232 -9.367 -27.076 1.00 54.31 H new ATOM 0 HB3 MET A 79 -6.106 -10.238 -26.054 1.00 54.31 H new ATOM 0 HG2 MET A 79 -4.770 -8.444 -26.101 1.00 32.34 H new ATOM 0 HG3 MET A 79 -4.459 -8.777 -27.793 1.00 32.34 H new ATOM 0 HE1 MET A 79 -6.708 -5.860 -25.541 1.00 42.34 H new ATOM 0 HE2 MET A 79 -5.081 -6.567 -25.399 1.00 42.34 H new ATOM 0 HE3 MET A 79 -5.326 -5.081 -26.346 1.00 42.34 H new ATOM 1233 N HIS A 80 -4.622 -12.685 -27.566 1.00 12.44 N ATOM 1234 CA HIS A 80 -4.349 -14.012 -27.027 1.00 74.53 C ATOM 1235 C HIS A 80 -4.705 -14.082 -25.545 1.00 53.33 C ATOM 1236 O HIS A 80 -4.371 -13.181 -24.774 1.00 70.54 O ATOM 1237 CB HIS A 80 -2.877 -14.375 -27.228 1.00 15.53 C ATOM 1238 CG HIS A 80 -2.669 -15.569 -28.107 1.00 22.25 C ATOM 1239 ND1 HIS A 80 -2.732 -16.866 -27.642 1.00 13.25 N ATOM 1240 CD2 HIS A 80 -2.398 -15.658 -29.430 1.00 20.53 C ATOM 1241 CE1 HIS A 80 -2.508 -17.701 -28.640 1.00 42.13 C ATOM 1242 NE2 HIS A 80 -2.303 -16.994 -29.737 1.00 5.53 N ATOM 0 H HIS A 80 -3.807 -12.212 -27.956 1.00 12.44 H new ATOM 0 HA HIS A 80 -4.969 -14.729 -27.565 1.00 74.53 H new ATOM 0 HB2 HIS A 80 -2.357 -13.521 -27.661 1.00 15.53 H new ATOM 0 HB3 HIS A 80 -2.423 -14.566 -26.256 1.00 15.53 H new ATOM 0 HD2 HIS A 80 -2.279 -14.833 -30.116 1.00 20.53 H new ATOM 0 HE1 HIS A 80 -2.495 -18.779 -28.571 1.00 42.13 H new ATOM 0 HE2 HIS A 80 -2.106 -17.377 -30.661 1.00 5.53 H new ATOM 1250 N ILE A 81 -5.385 -15.154 -25.155 1.00 31.34 N ATOM 1251 CA ILE A 81 -5.786 -15.340 -23.765 1.00 65.14 C ATOM 1252 C ILE A 81 -5.936 -16.820 -23.430 1.00 0.01 C ATOM 1253 O ILE A 81 -5.888 -17.677 -24.313 1.00 43.11 O ATOM 1254 CB ILE A 81 -7.112 -14.619 -23.461 1.00 3.34 C ATOM 1255 CG1 ILE A 81 -8.208 -15.094 -24.417 1.00 25.02 C ATOM 1256 CG2 ILE A 81 -6.930 -13.112 -23.562 1.00 12.45 C ATOM 1257 CD1 ILE A 81 -9.124 -16.136 -23.815 1.00 54.11 C ATOM 0 H ILE A 81 -5.670 -15.907 -25.781 1.00 31.34 H new ATOM 0 HA ILE A 81 -4.998 -14.909 -23.148 1.00 65.14 H new ATOM 0 HB ILE A 81 -7.415 -14.862 -22.443 1.00 3.34 H new ATOM 0 HG12 ILE A 81 -8.803 -14.236 -24.730 1.00 25.02 H new ATOM 0 HG13 ILE A 81 -7.744 -15.504 -25.314 1.00 25.02 H new ATOM 0 HG21 ILE A 81 -7.876 -12.616 -23.345 1.00 12.45 H new ATOM 0 HG22 ILE A 81 -6.177 -12.788 -22.844 1.00 12.45 H new ATOM 0 HG23 ILE A 81 -6.607 -12.851 -24.570 1.00 12.45 H new ATOM 0 HD11 ILE A 81 -9.876 -16.426 -24.548 1.00 54.11 H new ATOM 0 HD12 ILE A 81 -8.541 -17.011 -23.528 1.00 54.11 H new ATOM 0 HD13 ILE A 81 -9.616 -15.723 -22.935 1.00 54.11 H new ATOM 1269 N THR A 82 -6.120 -17.115 -22.147 1.00 15.44 N ATOM 1270 CA THR A 82 -6.279 -18.491 -21.693 1.00 41.44 C ATOM 1271 C THR A 82 -7.527 -18.646 -20.832 1.00 51.41 C ATOM 1272 O THR A 82 -7.581 -18.151 -19.706 1.00 21.42 O ATOM 1273 CB THR A 82 -5.053 -18.962 -20.889 1.00 65.15 C ATOM 1274 OG1 THR A 82 -3.882 -18.921 -21.713 1.00 3.22 O ATOM 1275 CG2 THR A 82 -5.260 -20.375 -20.365 1.00 0.35 C ATOM 0 H THR A 82 -6.163 -16.418 -21.403 1.00 15.44 H new ATOM 0 HA THR A 82 -6.378 -19.108 -22.586 1.00 41.44 H new ATOM 0 HB THR A 82 -4.924 -18.291 -20.040 1.00 65.15 H new ATOM 0 HG1 THR A 82 -3.159 -18.468 -21.231 1.00 3.22 H new ATOM 0 HG21 THR A 82 -4.381 -20.686 -19.800 1.00 0.35 H new ATOM 0 HG22 THR A 82 -6.135 -20.398 -19.716 1.00 0.35 H new ATOM 0 HG23 THR A 82 -5.412 -21.055 -21.203 1.00 0.35 H new ATOM 1283 N ASP A 83 -8.528 -19.335 -21.368 1.00 52.33 N ATOM 1284 CA ASP A 83 -9.776 -19.556 -20.647 1.00 73.43 C ATOM 1285 C ASP A 83 -9.581 -20.567 -19.521 1.00 11.51 C ATOM 1286 O ASP A 83 -8.936 -21.600 -19.704 1.00 13.42 O ATOM 1287 CB ASP A 83 -10.864 -20.046 -21.605 1.00 45.22 C ATOM 1288 CG ASP A 83 -12.233 -19.496 -21.257 1.00 4.14 C ATOM 1289 OD1 ASP A 83 -12.466 -18.291 -21.490 1.00 25.12 O ATOM 1290 OD2 ASP A 83 -13.072 -20.270 -20.751 1.00 64.55 O ATOM 0 H ASP A 83 -8.500 -19.750 -22.299 1.00 52.33 H new ATOM 0 HA ASP A 83 -10.087 -18.607 -20.210 1.00 73.43 H new ATOM 0 HB2 ASP A 83 -10.606 -19.753 -22.623 1.00 45.22 H new ATOM 0 HB3 ASP A 83 -10.898 -21.135 -21.585 1.00 45.22 H new ATOM 1295 N CYS A 84 -10.141 -20.261 -18.355 1.00 53.14 N ATOM 1296 CA CYS A 84 -10.028 -21.140 -17.198 1.00 73.41 C ATOM 1297 C CYS A 84 -11.389 -21.351 -16.540 1.00 1.42 C ATOM 1298 O CYS A 84 -11.877 -20.487 -15.811 1.00 54.00 O ATOM 1299 CB CYS A 84 -9.043 -20.558 -16.183 1.00 1.10 C ATOM 1300 SG CYS A 84 -7.526 -19.876 -16.926 1.00 41.02 S ATOM 0 H CYS A 84 -10.678 -19.410 -18.187 1.00 53.14 H new ATOM 0 HA CYS A 84 -9.657 -22.105 -17.542 1.00 73.41 H new ATOM 0 HB2 CYS A 84 -9.543 -19.772 -15.617 1.00 1.10 H new ATOM 0 HB3 CYS A 84 -8.768 -21.337 -15.472 1.00 1.10 H new ATOM 1305 N ARG A 85 -11.995 -22.504 -16.802 1.00 1.01 N ATOM 1306 CA ARG A 85 -13.299 -22.828 -16.236 1.00 50.43 C ATOM 1307 C ARG A 85 -13.268 -24.186 -15.541 1.00 52.41 C ATOM 1308 O ARG A 85 -12.766 -25.166 -16.092 1.00 60.12 O ATOM 1309 CB ARG A 85 -14.368 -22.827 -17.331 1.00 22.22 C ATOM 1310 CG ARG A 85 -15.707 -23.383 -16.875 1.00 0.34 C ATOM 1311 CD ARG A 85 -16.771 -23.224 -17.949 1.00 71.24 C ATOM 1312 NE ARG A 85 -18.107 -23.529 -17.446 1.00 35.33 N ATOM 1313 CZ ARG A 85 -18.602 -24.760 -17.372 1.00 60.05 C ATOM 1314 NH1 ARG A 85 -17.874 -25.795 -17.768 1.00 30.20 N ATOM 1315 NH2 ARG A 85 -19.827 -24.957 -16.902 1.00 70.23 N ATOM 0 H ARG A 85 -11.604 -23.230 -17.403 1.00 1.01 H new ATOM 0 HA ARG A 85 -13.546 -22.067 -15.496 1.00 50.43 H new ATOM 0 HB2 ARG A 85 -14.510 -21.807 -17.687 1.00 22.22 H new ATOM 0 HB3 ARG A 85 -14.010 -23.413 -18.177 1.00 22.22 H new ATOM 0 HG2 ARG A 85 -15.597 -24.438 -16.623 1.00 0.34 H new ATOM 0 HG3 ARG A 85 -16.025 -22.870 -15.967 1.00 0.34 H new ATOM 0 HD2 ARG A 85 -16.752 -22.203 -18.330 1.00 71.24 H new ATOM 0 HD3 ARG A 85 -16.541 -23.881 -18.787 1.00 71.24 H new ATOM 0 HE ARG A 85 -18.693 -22.754 -17.134 1.00 35.33 H new ATOM 0 HH11 ARG A 85 -16.932 -25.647 -18.130 1.00 30.20 H new ATOM 0 HH12 ARG A 85 -18.256 -26.739 -17.710 1.00 30.20 H new ATOM 0 HH21 ARG A 85 -20.390 -24.163 -16.597 1.00 70.23 H new ATOM 0 HH22 ARG A 85 -20.206 -25.902 -16.846 1.00 70.23 H new ATOM 1329 N LEU A 86 -13.808 -24.236 -14.328 1.00 44.31 N ATOM 1330 CA LEU A 86 -13.842 -25.473 -13.557 1.00 30.34 C ATOM 1331 C LEU A 86 -14.445 -26.610 -14.377 1.00 4.44 C ATOM 1332 O LEU A 86 -15.519 -26.467 -14.961 1.00 51.32 O ATOM 1333 CB LEU A 86 -14.647 -25.274 -12.271 1.00 72.03 C ATOM 1334 CG LEU A 86 -13.836 -25.183 -10.978 1.00 61.24 C ATOM 1335 CD1 LEU A 86 -14.759 -25.156 -9.770 1.00 2.20 C ATOM 1336 CD2 LEU A 86 -12.859 -26.345 -10.879 1.00 64.42 C ATOM 0 H LEU A 86 -14.228 -23.434 -13.858 1.00 44.31 H new ATOM 0 HA LEU A 86 -12.817 -25.739 -13.299 1.00 30.34 H new ATOM 0 HB2 LEU A 86 -15.235 -24.362 -12.372 1.00 72.03 H new ATOM 0 HB3 LEU A 86 -15.352 -26.100 -12.176 1.00 72.03 H new ATOM 0 HG LEU A 86 -13.265 -24.255 -10.994 1.00 61.24 H new ATOM 0 HD11 LEU A 86 -14.164 -25.091 -8.859 1.00 2.20 H new ATOM 0 HD12 LEU A 86 -15.418 -24.291 -9.835 1.00 2.20 H new ATOM 0 HD13 LEU A 86 -15.357 -26.067 -9.749 1.00 2.20 H new ATOM 0 HD21 LEU A 86 -12.290 -26.264 -9.953 1.00 64.42 H new ATOM 0 HD22 LEU A 86 -13.410 -27.285 -10.886 1.00 64.42 H new ATOM 0 HD23 LEU A 86 -12.176 -26.319 -11.728 1.00 64.42 H new ATOM 1348 N THR A 87 -13.746 -27.740 -14.414 1.00 75.51 N ATOM 1349 CA THR A 87 -14.212 -28.902 -15.161 1.00 15.10 C ATOM 1350 C THR A 87 -15.492 -29.468 -14.555 1.00 64.12 C ATOM 1351 O THR A 87 -15.998 -28.954 -13.559 1.00 53.22 O ATOM 1352 CB THR A 87 -13.143 -30.010 -15.202 1.00 11.24 C ATOM 1353 OG1 THR A 87 -12.037 -29.654 -14.365 1.00 1.21 O ATOM 1354 CG2 THR A 87 -12.656 -30.240 -16.624 1.00 41.23 C ATOM 0 H THR A 87 -12.855 -27.875 -13.936 1.00 75.51 H new ATOM 0 HA THR A 87 -14.413 -28.564 -16.178 1.00 15.10 H new ATOM 0 HB THR A 87 -13.593 -30.933 -14.836 1.00 11.24 H new ATOM 0 HG1 THR A 87 -11.362 -30.364 -14.395 1.00 1.21 H new ATOM 0 HG21 THR A 87 -11.902 -31.027 -16.627 1.00 41.23 H new ATOM 0 HG22 THR A 87 -13.495 -30.539 -17.252 1.00 41.23 H new ATOM 0 HG23 THR A 87 -12.222 -29.319 -17.013 1.00 41.23 H new ATOM 1362 N ASN A 88 -16.009 -30.531 -15.163 1.00 63.00 N ATOM 1363 CA ASN A 88 -17.230 -31.167 -14.683 1.00 22.54 C ATOM 1364 C ASN A 88 -16.926 -32.139 -13.546 1.00 11.53 C ATOM 1365 O ASN A 88 -17.737 -33.006 -13.223 1.00 4.10 O ATOM 1366 CB ASN A 88 -17.929 -31.906 -15.826 1.00 3.20 C ATOM 1367 CG ASN A 88 -18.837 -30.997 -16.631 1.00 50.13 C ATOM 1368 OD1 ASN A 88 -19.940 -30.662 -16.199 1.00 73.53 O ATOM 1369 ND2 ASN A 88 -18.376 -30.593 -17.809 1.00 42.13 N ATOM 0 H ASN A 88 -15.601 -30.970 -15.989 1.00 63.00 H new ATOM 0 HA ASN A 88 -17.891 -30.387 -14.305 1.00 22.54 H new ATOM 0 HB2 ASN A 88 -17.179 -32.342 -16.485 1.00 3.20 H new ATOM 0 HB3 ASN A 88 -18.514 -32.731 -15.418 1.00 3.20 H new ATOM 0 HD21 ASN A 88 -18.942 -29.980 -18.395 1.00 42.13 H new ATOM 0 HD22 ASN A 88 -17.455 -30.896 -18.127 1.00 42.13 H new ATOM 1376 N GLY A 89 -15.752 -31.985 -12.941 1.00 65.35 N ATOM 1377 CA GLY A 89 -15.361 -32.855 -11.847 1.00 53.11 C ATOM 1378 C GLY A 89 -14.194 -32.301 -11.054 1.00 51.14 C ATOM 1379 O GLY A 89 -13.218 -33.006 -10.800 1.00 3.15 O ATOM 0 H GLY A 89 -15.065 -31.273 -13.189 1.00 65.35 H new ATOM 0 HA2 GLY A 89 -16.212 -33.001 -11.181 1.00 53.11 H new ATOM 0 HA3 GLY A 89 -15.094 -33.835 -12.243 1.00 53.11 H new ATOM 1383 N SER A 90 -14.294 -31.034 -10.665 1.00 24.14 N ATOM 1384 CA SER A 90 -13.235 -30.384 -9.901 1.00 10.11 C ATOM 1385 C SER A 90 -13.821 -29.444 -8.852 1.00 1.40 C ATOM 1386 O SER A 90 -14.446 -28.436 -9.185 1.00 63.52 O ATOM 1387 CB SER A 90 -12.306 -29.608 -10.836 1.00 4.31 C ATOM 1388 OG SER A 90 -12.990 -29.192 -12.005 1.00 43.02 O ATOM 0 H SER A 90 -15.097 -30.437 -10.866 1.00 24.14 H new ATOM 0 HA SER A 90 -12.661 -31.158 -9.390 1.00 10.11 H new ATOM 0 HB2 SER A 90 -11.906 -28.738 -10.316 1.00 4.31 H new ATOM 0 HB3 SER A 90 -11.457 -30.233 -11.111 1.00 4.31 H new ATOM 0 HG SER A 90 -12.369 -29.188 -12.763 1.00 43.02 H new ATOM 1394 N ARG A 91 -13.614 -29.780 -7.583 1.00 73.51 N ATOM 1395 CA ARG A 91 -14.123 -28.968 -6.484 1.00 64.05 C ATOM 1396 C ARG A 91 -13.089 -28.856 -5.368 1.00 2.52 C ATOM 1397 O ARG A 91 -12.170 -29.670 -5.274 1.00 40.23 O ATOM 1398 CB ARG A 91 -15.419 -29.568 -5.936 1.00 4.33 C ATOM 1399 CG ARG A 91 -16.230 -28.597 -5.094 1.00 12.14 C ATOM 1400 CD ARG A 91 -16.385 -27.252 -5.787 1.00 24.41 C ATOM 1401 NE ARG A 91 -17.375 -26.406 -5.126 1.00 25.21 N ATOM 1402 CZ ARG A 91 -17.461 -25.094 -5.312 1.00 54.24 C ATOM 1403 NH1 ARG A 91 -16.622 -24.481 -6.136 1.00 14.11 N ATOM 1404 NH2 ARG A 91 -18.390 -24.392 -4.675 1.00 5.13 N ATOM 0 H ARG A 91 -13.097 -30.609 -7.290 1.00 73.51 H new ATOM 0 HA ARG A 91 -14.328 -27.969 -6.868 1.00 64.05 H new ATOM 0 HB2 ARG A 91 -16.031 -29.912 -6.770 1.00 4.33 H new ATOM 0 HB3 ARG A 91 -15.178 -30.444 -5.334 1.00 4.33 H new ATOM 0 HG2 ARG A 91 -17.214 -29.021 -4.895 1.00 12.14 H new ATOM 0 HG3 ARG A 91 -15.743 -28.456 -4.129 1.00 12.14 H new ATOM 0 HD2 ARG A 91 -15.423 -26.740 -5.803 1.00 24.41 H new ATOM 0 HD3 ARG A 91 -16.679 -27.411 -6.825 1.00 24.41 H new ATOM 0 HE ARG A 91 -18.036 -26.847 -4.487 1.00 25.21 H new ATOM 0 HH11 ARG A 91 -15.908 -25.017 -6.629 1.00 14.11 H new ATOM 0 HH12 ARG A 91 -16.691 -23.473 -6.277 1.00 14.11 H new ATOM 0 HH21 ARG A 91 -19.038 -24.860 -4.042 1.00 5.13 H new ATOM 0 HH22 ARG A 91 -18.455 -23.384 -4.818 1.00 5.13 H new ATOM 1418 N TYR A 92 -13.245 -27.842 -4.524 1.00 52.30 N ATOM 1419 CA TYR A 92 -12.324 -27.621 -3.416 1.00 0.34 C ATOM 1420 C TYR A 92 -12.155 -28.890 -2.586 1.00 53.01 C ATOM 1421 O TYR A 92 -13.117 -29.595 -2.280 1.00 51.02 O ATOM 1422 CB TYR A 92 -12.825 -26.481 -2.528 1.00 15.33 C ATOM 1423 CG TYR A 92 -11.858 -26.097 -1.431 1.00 42.42 C ATOM 1424 CD1 TYR A 92 -11.889 -26.732 -0.196 1.00 73.40 C ATOM 1425 CD2 TYR A 92 -10.913 -25.098 -1.630 1.00 0.53 C ATOM 1426 CE1 TYR A 92 -11.008 -26.384 0.809 1.00 24.41 C ATOM 1427 CE2 TYR A 92 -10.027 -24.744 -0.631 1.00 24.11 C ATOM 1428 CZ TYR A 92 -10.078 -25.390 0.587 1.00 61.14 C ATOM 1429 OH TYR A 92 -9.198 -25.040 1.585 1.00 44.14 O ATOM 0 H TYR A 92 -14.001 -27.160 -4.586 1.00 52.30 H new ATOM 0 HA TYR A 92 -11.354 -27.349 -3.833 1.00 0.34 H new ATOM 0 HB2 TYR A 92 -13.022 -25.607 -3.149 1.00 15.33 H new ATOM 0 HB3 TYR A 92 -13.774 -26.772 -2.078 1.00 15.33 H new ATOM 0 HD1 TYR A 92 -12.615 -27.512 -0.019 1.00 73.40 H new ATOM 0 HD2 TYR A 92 -10.870 -24.590 -2.582 1.00 0.53 H new ATOM 0 HE1 TYR A 92 -11.047 -26.888 1.764 1.00 24.41 H new ATOM 0 HE2 TYR A 92 -9.298 -23.966 -0.803 1.00 24.11 H new ATOM 0 HH TYR A 92 -8.609 -24.325 1.266 1.00 44.14 H new ATOM 1439 N PRO A 93 -10.902 -29.189 -2.212 1.00 53.21 N ATOM 1440 CA PRO A 93 -9.750 -28.357 -2.571 1.00 25.43 C ATOM 1441 C PRO A 93 -9.426 -28.426 -4.059 1.00 40.12 C ATOM 1442 O PRO A 93 -8.804 -27.519 -4.611 1.00 74.11 O ATOM 1443 CB PRO A 93 -8.608 -28.959 -1.747 1.00 72.21 C ATOM 1444 CG PRO A 93 -9.014 -30.373 -1.514 1.00 34.44 C ATOM 1445 CD PRO A 93 -10.515 -30.362 -1.411 1.00 5.23 C ATOM 0 HA PRO A 93 -9.931 -27.301 -2.368 1.00 25.43 H new ATOM 0 HB2 PRO A 93 -7.661 -28.902 -2.283 1.00 72.21 H new ATOM 0 HB3 PRO A 93 -8.475 -28.425 -0.806 1.00 72.21 H new ATOM 0 HG2 PRO A 93 -8.684 -31.014 -2.332 1.00 34.44 H new ATOM 0 HG3 PRO A 93 -8.563 -30.763 -0.601 1.00 34.44 H new ATOM 0 HD2 PRO A 93 -10.952 -31.280 -1.805 1.00 5.23 H new ATOM 0 HD3 PRO A 93 -10.846 -30.270 -0.377 1.00 5.23 H new ATOM 1453 N ASN A 94 -9.852 -29.507 -4.704 1.00 34.44 N ATOM 1454 CA ASN A 94 -9.608 -29.694 -6.129 1.00 43.22 C ATOM 1455 C ASN A 94 -10.104 -28.493 -6.928 1.00 54.41 C ATOM 1456 O ASN A 94 -11.295 -28.179 -6.922 1.00 51.42 O ATOM 1457 CB ASN A 94 -10.295 -30.969 -6.623 1.00 45.54 C ATOM 1458 CG ASN A 94 -10.499 -31.982 -5.514 1.00 61.33 C ATOM 1459 OD1 ASN A 94 -11.631 -32.286 -5.137 1.00 25.15 O ATOM 1460 ND2 ASN A 94 -9.401 -32.511 -4.987 1.00 21.05 N ATOM 0 H ASN A 94 -10.368 -30.267 -4.262 1.00 34.44 H new ATOM 0 HA ASN A 94 -8.532 -29.788 -6.279 1.00 43.22 H new ATOM 0 HB2 ASN A 94 -11.260 -30.713 -7.059 1.00 45.54 H new ATOM 0 HB3 ASN A 94 -9.696 -31.418 -7.416 1.00 45.54 H new ATOM 0 HD21 ASN A 94 -9.475 -33.199 -4.238 1.00 21.05 H new ATOM 0 HD22 ASN A 94 -8.483 -32.229 -5.331 1.00 21.05 H new ATOM 1467 N CYS A 95 -9.184 -27.825 -7.615 1.00 51.43 N ATOM 1468 CA CYS A 95 -9.527 -26.658 -8.420 1.00 22.11 C ATOM 1469 C CYS A 95 -9.218 -26.904 -9.894 1.00 25.02 C ATOM 1470 O CYS A 95 -9.119 -25.965 -10.683 1.00 72.01 O ATOM 1471 CB CYS A 95 -8.762 -25.429 -7.925 1.00 50.22 C ATOM 1472 SG CYS A 95 -9.494 -24.640 -6.455 1.00 44.22 S ATOM 0 H CYS A 95 -8.194 -28.072 -7.631 1.00 51.43 H new ATOM 0 HA CYS A 95 -10.597 -26.478 -8.317 1.00 22.11 H new ATOM 0 HB2 CYS A 95 -7.737 -25.720 -7.695 1.00 50.22 H new ATOM 0 HB3 CYS A 95 -8.712 -24.696 -8.731 1.00 50.22 H new ATOM 1477 N ALA A 96 -9.066 -28.173 -10.257 1.00 64.40 N ATOM 1478 CA ALA A 96 -8.770 -28.543 -11.636 1.00 31.45 C ATOM 1479 C ALA A 96 -9.697 -27.823 -12.608 1.00 52.43 C ATOM 1480 O ALA A 96 -10.855 -28.205 -12.776 1.00 74.12 O ATOM 1481 CB ALA A 96 -8.884 -30.050 -11.813 1.00 63.25 C ATOM 0 H ALA A 96 -9.143 -28.962 -9.616 1.00 64.40 H new ATOM 0 HA ALA A 96 -7.747 -28.238 -11.857 1.00 31.45 H new ATOM 0 HB1 ALA A 96 -8.661 -30.313 -12.847 1.00 63.25 H new ATOM 0 HB2 ALA A 96 -8.176 -30.549 -11.151 1.00 63.25 H new ATOM 0 HB3 ALA A 96 -9.897 -30.369 -11.568 1.00 63.25 H new ATOM 1487 N TYR A 97 -9.181 -26.778 -13.246 1.00 10.10 N ATOM 1488 CA TYR A 97 -9.964 -26.002 -14.200 1.00 11.51 C ATOM 1489 C TYR A 97 -9.736 -26.498 -15.624 1.00 64.13 C ATOM 1490 O TYR A 97 -8.970 -27.435 -15.852 1.00 3.23 O ATOM 1491 CB TYR A 97 -9.603 -24.518 -14.101 1.00 22.51 C ATOM 1492 CG TYR A 97 -9.634 -23.981 -12.688 1.00 44.21 C ATOM 1493 CD1 TYR A 97 -10.762 -24.130 -11.892 1.00 33.35 C ATOM 1494 CD2 TYR A 97 -8.535 -23.323 -12.150 1.00 3.40 C ATOM 1495 CE1 TYR A 97 -10.795 -23.640 -10.600 1.00 74.23 C ATOM 1496 CE2 TYR A 97 -8.558 -22.831 -10.859 1.00 53.54 C ATOM 1497 CZ TYR A 97 -9.691 -22.992 -10.089 1.00 2.53 C ATOM 1498 OH TYR A 97 -9.719 -22.502 -8.803 1.00 42.51 O ATOM 0 H TYR A 97 -8.224 -26.449 -13.120 1.00 10.10 H new ATOM 0 HA TYR A 97 -11.018 -26.130 -13.955 1.00 11.51 H new ATOM 0 HB2 TYR A 97 -8.607 -24.366 -14.517 1.00 22.51 H new ATOM 0 HB3 TYR A 97 -10.296 -23.942 -14.715 1.00 22.51 H new ATOM 0 HD1 TYR A 97 -11.629 -24.638 -12.289 1.00 33.35 H new ATOM 0 HD2 TYR A 97 -7.647 -23.194 -12.751 1.00 3.40 H new ATOM 0 HE1 TYR A 97 -11.681 -23.764 -9.994 1.00 74.23 H new ATOM 0 HE2 TYR A 97 -7.694 -22.324 -10.455 1.00 53.54 H new ATOM 0 HH TYR A 97 -10.178 -23.142 -8.219 1.00 42.51 H new ATOM 1508 N ARG A 98 -10.406 -25.863 -16.580 1.00 43.40 N ATOM 1509 CA ARG A 98 -10.277 -26.239 -17.983 1.00 12.03 C ATOM 1510 C ARG A 98 -9.527 -25.166 -18.767 1.00 23.42 C ATOM 1511 O ARG A 98 -10.089 -24.126 -19.112 1.00 64.43 O ATOM 1512 CB ARG A 98 -11.658 -26.465 -18.601 1.00 32.14 C ATOM 1513 CG ARG A 98 -11.778 -27.775 -19.362 1.00 22.55 C ATOM 1514 CD ARG A 98 -12.850 -27.699 -20.437 1.00 63.05 C ATOM 1515 NE ARG A 98 -12.392 -28.257 -21.707 1.00 23.20 N ATOM 1516 CZ ARG A 98 -11.393 -27.745 -22.418 1.00 12.45 C ATOM 1517 NH1 ARG A 98 -10.751 -26.668 -21.985 1.00 34.33 N ATOM 1518 NH2 ARG A 98 -11.035 -28.309 -23.563 1.00 65.44 N ATOM 0 H ARG A 98 -11.044 -25.086 -16.409 1.00 43.40 H new ATOM 0 HA ARG A 98 -9.707 -27.167 -18.034 1.00 12.03 H new ATOM 0 HB2 ARG A 98 -12.408 -26.444 -17.811 1.00 32.14 H new ATOM 0 HB3 ARG A 98 -11.884 -25.640 -19.277 1.00 32.14 H new ATOM 0 HG2 ARG A 98 -10.819 -28.020 -19.819 1.00 22.55 H new ATOM 0 HG3 ARG A 98 -12.015 -28.580 -18.667 1.00 22.55 H new ATOM 0 HD2 ARG A 98 -13.737 -28.238 -20.103 1.00 63.05 H new ATOM 0 HD3 ARG A 98 -13.144 -26.660 -20.583 1.00 63.05 H new ATOM 0 HE ARG A 98 -12.865 -29.085 -22.068 1.00 23.20 H new ATOM 0 HH11 ARG A 98 -11.024 -26.231 -21.105 1.00 34.33 H new ATOM 0 HH12 ARG A 98 -9.984 -26.277 -22.532 1.00 34.33 H new ATOM 0 HH21 ARG A 98 -11.527 -29.137 -23.899 1.00 65.44 H new ATOM 0 HH22 ARG A 98 -10.268 -27.915 -24.108 1.00 65.44 H new ATOM 1532 N THR A 99 -8.253 -25.426 -19.045 1.00 22.14 N ATOM 1533 CA THR A 99 -7.425 -24.483 -19.786 1.00 23.42 C ATOM 1534 C THR A 99 -7.698 -24.570 -21.283 1.00 33.11 C ATOM 1535 O THR A 99 -7.355 -25.559 -21.930 1.00 65.12 O ATOM 1536 CB THR A 99 -5.926 -24.734 -19.534 1.00 42.32 C ATOM 1537 OG1 THR A 99 -5.701 -25.007 -18.147 1.00 21.04 O ATOM 1538 CG2 THR A 99 -5.097 -23.531 -19.960 1.00 53.00 C ATOM 0 H THR A 99 -7.772 -26.282 -18.768 1.00 22.14 H new ATOM 0 HA THR A 99 -7.685 -23.486 -19.429 1.00 23.42 H new ATOM 0 HB THR A 99 -5.620 -25.595 -20.128 1.00 42.32 H new ATOM 0 HG1 THR A 99 -4.993 -25.678 -18.056 1.00 21.04 H new ATOM 0 HG21 THR A 99 -4.042 -23.731 -19.773 1.00 53.00 H new ATOM 0 HG22 THR A 99 -5.248 -23.343 -21.023 1.00 53.00 H new ATOM 0 HG23 THR A 99 -5.407 -22.655 -19.390 1.00 53.00 H new ATOM 1546 N SER A 100 -8.318 -23.528 -21.828 1.00 35.32 N ATOM 1547 CA SER A 100 -8.641 -23.489 -23.249 1.00 50.54 C ATOM 1548 C SER A 100 -7.850 -22.392 -23.955 1.00 41.44 C ATOM 1549 O SER A 100 -8.192 -21.210 -23.900 1.00 21.23 O ATOM 1550 CB SER A 100 -10.141 -23.260 -23.447 1.00 43.44 C ATOM 1551 OG SER A 100 -10.715 -24.293 -24.229 1.00 15.41 O ATOM 0 H SER A 100 -8.606 -22.700 -21.307 1.00 35.32 H new ATOM 0 HA SER A 100 -8.367 -24.449 -23.685 1.00 50.54 H new ATOM 0 HB2 SER A 100 -10.637 -23.215 -22.477 1.00 43.44 H new ATOM 0 HB3 SER A 100 -10.304 -22.298 -23.933 1.00 43.44 H new ATOM 0 HG SER A 100 -11.674 -24.125 -24.340 1.00 15.41 H new ATOM 1557 N PRO A 101 -6.765 -22.790 -24.637 1.00 35.44 N ATOM 1558 CA PRO A 101 -5.903 -21.858 -25.368 1.00 4.34 C ATOM 1559 C PRO A 101 -6.587 -21.281 -26.602 1.00 61.44 C ATOM 1560 O PRO A 101 -6.985 -22.018 -27.505 1.00 51.22 O ATOM 1561 CB PRO A 101 -4.708 -22.724 -25.774 1.00 22.12 C ATOM 1562 CG PRO A 101 -5.244 -24.113 -25.816 1.00 30.32 C ATOM 1563 CD PRO A 101 -6.298 -24.183 -24.746 1.00 15.40 C ATOM 0 HA PRO A 101 -5.633 -20.992 -24.763 1.00 4.34 H new ATOM 0 HB2 PRO A 101 -4.312 -22.423 -26.744 1.00 22.12 H new ATOM 0 HB3 PRO A 101 -3.893 -22.636 -25.056 1.00 22.12 H new ATOM 0 HG2 PRO A 101 -5.666 -24.339 -26.795 1.00 30.32 H new ATOM 0 HG3 PRO A 101 -4.454 -24.842 -25.634 1.00 30.32 H new ATOM 0 HD2 PRO A 101 -7.108 -24.858 -25.023 1.00 15.40 H new ATOM 0 HD3 PRO A 101 -5.890 -24.545 -23.802 1.00 15.40 H new ATOM 1571 N LYS A 102 -6.720 -19.960 -26.636 1.00 54.25 N ATOM 1572 CA LYS A 102 -7.355 -19.283 -27.761 1.00 71.23 C ATOM 1573 C LYS A 102 -7.040 -17.791 -27.746 1.00 52.35 C ATOM 1574 O LYS A 102 -6.711 -17.228 -26.703 1.00 44.32 O ATOM 1575 CB LYS A 102 -8.870 -19.496 -27.722 1.00 51.02 C ATOM 1576 CG LYS A 102 -9.298 -20.896 -28.127 1.00 32.15 C ATOM 1577 CD LYS A 102 -10.769 -20.942 -28.503 1.00 75.35 C ATOM 1578 CE LYS A 102 -11.263 -22.374 -28.648 1.00 51.42 C ATOM 1579 NZ LYS A 102 -12.063 -22.561 -29.890 1.00 34.51 N ATOM 0 H LYS A 102 -6.396 -19.336 -25.897 1.00 54.25 H new ATOM 0 HA LYS A 102 -6.958 -19.711 -28.681 1.00 71.23 H new ATOM 0 HB2 LYS A 102 -9.231 -19.292 -26.714 1.00 51.02 H new ATOM 0 HB3 LYS A 102 -9.347 -18.773 -28.384 1.00 51.02 H new ATOM 0 HG2 LYS A 102 -8.695 -21.232 -28.971 1.00 32.15 H new ATOM 0 HG3 LYS A 102 -9.110 -21.587 -27.305 1.00 32.15 H new ATOM 0 HD2 LYS A 102 -11.356 -20.429 -27.742 1.00 75.35 H new ATOM 0 HD3 LYS A 102 -10.923 -20.406 -29.440 1.00 75.35 H new ATOM 0 HE2 LYS A 102 -10.410 -23.053 -28.659 1.00 51.42 H new ATOM 0 HE3 LYS A 102 -11.870 -22.639 -27.782 1.00 51.42 H new ATOM 0 HZ1 LYS A 102 -12.381 -23.549 -29.952 1.00 34.51 H new ATOM 0 HZ2 LYS A 102 -12.891 -21.931 -29.868 1.00 34.51 H new ATOM 0 HZ3 LYS A 102 -11.477 -22.333 -30.718 1.00 34.51 H new ATOM 1593 N GLU A 103 -7.146 -17.157 -28.910 1.00 44.41 N ATOM 1594 CA GLU A 103 -6.872 -15.729 -29.029 1.00 33.21 C ATOM 1595 C GLU A 103 -8.013 -15.015 -29.747 1.00 53.34 C ATOM 1596 O GLU A 103 -8.247 -15.234 -30.936 1.00 64.41 O ATOM 1597 CB GLU A 103 -5.559 -15.499 -29.780 1.00 20.53 C ATOM 1598 CG GLU A 103 -5.467 -16.260 -31.092 1.00 52.41 C ATOM 1599 CD GLU A 103 -4.251 -15.868 -31.909 1.00 55.14 C ATOM 1600 OE1 GLU A 103 -4.082 -14.661 -32.180 1.00 42.22 O ATOM 1601 OE2 GLU A 103 -3.470 -16.769 -32.278 1.00 24.41 O ATOM 0 H GLU A 103 -7.419 -17.609 -29.783 1.00 44.41 H new ATOM 0 HA GLU A 103 -6.783 -15.317 -28.024 1.00 33.21 H new ATOM 0 HB2 GLU A 103 -5.446 -14.433 -29.979 1.00 20.53 H new ATOM 0 HB3 GLU A 103 -4.728 -15.794 -29.140 1.00 20.53 H new ATOM 0 HG2 GLU A 103 -5.432 -17.330 -30.886 1.00 52.41 H new ATOM 0 HG3 GLU A 103 -6.368 -16.077 -31.678 1.00 52.41 H new ATOM 1608 N ARG A 104 -8.721 -14.159 -29.017 1.00 31.31 N ATOM 1609 CA ARG A 104 -9.839 -13.414 -29.583 1.00 43.41 C ATOM 1610 C ARG A 104 -10.066 -12.112 -28.820 1.00 43.22 C ATOM 1611 O ARG A 104 -9.449 -11.873 -27.781 1.00 74.21 O ATOM 1612 CB ARG A 104 -11.112 -14.262 -29.556 1.00 5.23 C ATOM 1613 CG ARG A 104 -11.801 -14.369 -30.906 1.00 31.10 C ATOM 1614 CD ARG A 104 -10.898 -15.020 -31.942 1.00 53.24 C ATOM 1615 NE ARG A 104 -10.376 -16.304 -31.484 1.00 25.02 N ATOM 1616 CZ ARG A 104 -9.626 -17.103 -32.235 1.00 44.31 C ATOM 1617 NH1 ARG A 104 -9.312 -16.751 -33.474 1.00 41.32 N ATOM 1618 NH2 ARG A 104 -9.187 -18.256 -31.747 1.00 14.03 N ATOM 0 H ARG A 104 -8.540 -13.964 -28.032 1.00 31.31 H new ATOM 0 HA ARG A 104 -9.595 -13.172 -30.617 1.00 43.41 H new ATOM 0 HB2 ARG A 104 -10.864 -15.263 -29.204 1.00 5.23 H new ATOM 0 HB3 ARG A 104 -11.808 -13.834 -28.835 1.00 5.23 H new ATOM 0 HG2 ARG A 104 -12.717 -14.951 -30.803 1.00 31.10 H new ATOM 0 HG3 ARG A 104 -12.091 -13.375 -31.247 1.00 31.10 H new ATOM 0 HD2 ARG A 104 -11.454 -15.165 -32.868 1.00 53.24 H new ATOM 0 HD3 ARG A 104 -10.068 -14.352 -32.170 1.00 53.24 H new ATOM 0 HE ARG A 104 -10.599 -16.604 -30.535 1.00 25.02 H new ATOM 0 HH11 ARG A 104 -9.646 -15.865 -33.853 1.00 41.32 H new ATOM 0 HH12 ARG A 104 -8.736 -17.366 -34.049 1.00 41.32 H new ATOM 0 HH21 ARG A 104 -9.425 -18.530 -30.794 1.00 14.03 H new ATOM 0 HH22 ARG A 104 -8.611 -18.868 -32.325 1.00 14.03 H new ATOM 1632 N HIS A 105 -10.954 -11.272 -29.343 1.00 62.45 N ATOM 1633 CA HIS A 105 -11.262 -9.994 -28.712 1.00 35.43 C ATOM 1634 C HIS A 105 -11.674 -10.193 -27.256 1.00 23.30 C ATOM 1635 O HIS A 105 -11.884 -11.321 -26.809 1.00 74.23 O ATOM 1636 CB HIS A 105 -12.378 -9.280 -29.476 1.00 4.12 C ATOM 1637 CG HIS A 105 -12.030 -8.982 -30.902 1.00 15.51 C ATOM 1638 ND1 HIS A 105 -11.666 -7.726 -31.341 1.00 31.21 N ATOM 1639 CD2 HIS A 105 -11.992 -9.785 -31.990 1.00 60.14 C ATOM 1640 CE1 HIS A 105 -11.420 -7.770 -32.638 1.00 72.11 C ATOM 1641 NE2 HIS A 105 -11.610 -9.008 -33.057 1.00 32.44 N ATOM 0 H HIS A 105 -11.473 -11.454 -30.202 1.00 62.45 H new ATOM 0 HA HIS A 105 -10.363 -9.378 -28.737 1.00 35.43 H new ATOM 0 HB2 HIS A 105 -13.277 -9.896 -29.451 1.00 4.12 H new ATOM 0 HB3 HIS A 105 -12.617 -8.347 -28.966 1.00 4.12 H new ATOM 0 HD2 HIS A 105 -12.220 -10.840 -32.015 1.00 60.14 H new ATOM 0 HE1 HIS A 105 -11.115 -6.935 -33.252 1.00 72.11 H new ATOM 0 HE2 HIS A 105 -11.492 -9.334 -34.016 1.00 32.44 H new ATOM 1649 N ILE A 106 -11.785 -9.091 -26.522 1.00 21.41 N ATOM 1650 CA ILE A 106 -12.171 -9.145 -25.117 1.00 62.54 C ATOM 1651 C ILE A 106 -12.763 -7.817 -24.658 1.00 65.13 C ATOM 1652 O ILE A 106 -12.537 -6.778 -25.280 1.00 33.14 O ATOM 1653 CB ILE A 106 -10.972 -9.499 -24.217 1.00 72.13 C ATOM 1654 CG1 ILE A 106 -9.659 -9.132 -24.912 1.00 12.43 C ATOM 1655 CG2 ILE A 106 -10.994 -10.978 -23.863 1.00 32.51 C ATOM 1656 CD1 ILE A 106 -8.596 -8.622 -23.964 1.00 14.23 C ATOM 0 H ILE A 106 -11.613 -8.150 -26.877 1.00 21.41 H new ATOM 0 HA ILE A 106 -12.926 -9.926 -25.027 1.00 62.54 H new ATOM 0 HB ILE A 106 -11.047 -8.923 -23.294 1.00 72.13 H new ATOM 0 HG12 ILE A 106 -9.277 -10.008 -25.436 1.00 12.43 H new ATOM 0 HG13 ILE A 106 -9.857 -8.371 -25.667 1.00 12.43 H new ATOM 0 HG21 ILE A 106 -10.141 -11.213 -23.227 1.00 32.51 H new ATOM 0 HG22 ILE A 106 -11.917 -11.211 -23.333 1.00 32.51 H new ATOM 0 HG23 ILE A 106 -10.940 -11.571 -24.776 1.00 32.51 H new ATOM 0 HD11 ILE A 106 -7.693 -8.381 -24.525 1.00 14.23 H new ATOM 0 HD12 ILE A 106 -8.958 -7.727 -23.459 1.00 14.23 H new ATOM 0 HD13 ILE A 106 -8.370 -9.390 -23.224 1.00 14.23 H new ATOM 1668 N ILE A 107 -13.518 -7.858 -23.566 1.00 73.42 N ATOM 1669 CA ILE A 107 -14.140 -6.657 -23.022 1.00 63.41 C ATOM 1670 C ILE A 107 -13.788 -6.476 -21.549 1.00 53.44 C ATOM 1671 O ILE A 107 -13.940 -7.396 -20.746 1.00 12.54 O ATOM 1672 CB ILE A 107 -15.672 -6.699 -23.171 1.00 60.33 C ATOM 1673 CG1 ILE A 107 -16.059 -7.357 -24.497 1.00 73.52 C ATOM 1674 CG2 ILE A 107 -16.252 -5.296 -23.081 1.00 44.42 C ATOM 1675 CD1 ILE A 107 -16.885 -8.614 -24.330 1.00 1.23 C ATOM 0 H ILE A 107 -13.714 -8.710 -23.040 1.00 73.42 H new ATOM 0 HA ILE A 107 -13.751 -5.814 -23.593 1.00 63.41 H new ATOM 0 HB ILE A 107 -16.085 -7.294 -22.357 1.00 60.33 H new ATOM 0 HG12 ILE A 107 -16.619 -6.641 -25.099 1.00 73.52 H new ATOM 0 HG13 ILE A 107 -15.152 -7.599 -25.052 1.00 73.52 H new ATOM 0 HG21 ILE A 107 -17.336 -5.343 -23.188 1.00 44.42 H new ATOM 0 HG22 ILE A 107 -16.001 -4.860 -22.114 1.00 44.42 H new ATOM 0 HG23 ILE A 107 -15.835 -4.678 -23.876 1.00 44.42 H new ATOM 0 HD11 ILE A 107 -17.123 -9.026 -25.311 1.00 1.23 H new ATOM 0 HD12 ILE A 107 -16.319 -9.347 -23.755 1.00 1.23 H new ATOM 0 HD13 ILE A 107 -17.809 -8.375 -23.803 1.00 1.23 H new ATOM 1687 N VAL A 108 -13.319 -5.281 -21.202 1.00 30.54 N ATOM 1688 CA VAL A 108 -12.949 -4.977 -19.825 1.00 25.13 C ATOM 1689 C VAL A 108 -13.472 -3.608 -19.405 1.00 24.03 C ATOM 1690 O VAL A 108 -13.729 -2.746 -20.245 1.00 34.43 O ATOM 1691 CB VAL A 108 -11.421 -5.011 -19.634 1.00 65.30 C ATOM 1692 CG1 VAL A 108 -10.960 -6.413 -19.265 1.00 65.24 C ATOM 1693 CG2 VAL A 108 -10.716 -4.523 -20.891 1.00 11.33 C ATOM 0 H VAL A 108 -13.187 -4.509 -21.855 1.00 30.54 H new ATOM 0 HA VAL A 108 -13.403 -5.744 -19.198 1.00 25.13 H new ATOM 0 HB VAL A 108 -11.160 -4.341 -18.815 1.00 65.30 H new ATOM 0 HG11 VAL A 108 -9.878 -6.418 -19.134 1.00 65.24 H new ATOM 0 HG12 VAL A 108 -11.439 -6.721 -18.336 1.00 65.24 H new ATOM 0 HG13 VAL A 108 -11.232 -7.107 -20.061 1.00 65.24 H new ATOM 0 HG21 VAL A 108 -9.637 -4.554 -20.738 1.00 11.33 H new ATOM 0 HG22 VAL A 108 -10.982 -5.166 -21.730 1.00 11.33 H new ATOM 0 HG23 VAL A 108 -11.023 -3.500 -21.106 1.00 11.33 H new ATOM 1703 N ALA A 109 -13.626 -3.415 -18.099 1.00 5.41 N ATOM 1704 CA ALA A 109 -14.115 -2.149 -17.567 1.00 35.23 C ATOM 1705 C ALA A 109 -12.997 -1.372 -16.881 1.00 21.33 C ATOM 1706 O ALA A 109 -12.619 -1.677 -15.749 1.00 63.11 O ATOM 1707 CB ALA A 109 -15.263 -2.393 -16.597 1.00 64.23 C ATOM 0 H ALA A 109 -13.419 -4.119 -17.390 1.00 5.41 H new ATOM 0 HA ALA A 109 -14.479 -1.549 -18.401 1.00 35.23 H new ATOM 0 HB1 ALA A 109 -15.619 -1.439 -16.207 1.00 64.23 H new ATOM 0 HB2 ALA A 109 -16.077 -2.899 -17.116 1.00 64.23 H new ATOM 0 HB3 ALA A 109 -14.916 -3.016 -15.772 1.00 64.23 H new ATOM 1713 N CYS A 110 -12.470 -0.367 -17.573 1.00 32.54 N ATOM 1714 CA CYS A 110 -11.394 0.453 -17.031 1.00 63.02 C ATOM 1715 C CYS A 110 -11.953 1.616 -16.216 1.00 60.43 C ATOM 1716 O CYS A 110 -13.039 2.119 -16.500 1.00 35.31 O ATOM 1717 CB CYS A 110 -10.512 0.986 -18.162 1.00 52.14 C ATOM 1718 SG CYS A 110 -10.942 0.336 -19.809 1.00 63.00 S ATOM 0 H CYS A 110 -12.771 -0.101 -18.511 1.00 32.54 H new ATOM 0 HA CYS A 110 -10.791 -0.172 -16.372 1.00 63.02 H new ATOM 0 HB2 CYS A 110 -10.583 2.073 -18.182 1.00 52.14 H new ATOM 0 HB3 CYS A 110 -9.473 0.739 -17.945 1.00 52.14 H new ATOM 1723 N GLU A 111 -11.202 2.037 -15.203 1.00 61.53 N ATOM 1724 CA GLU A 111 -11.623 3.139 -14.347 1.00 54.34 C ATOM 1725 C GLU A 111 -10.454 3.661 -13.517 1.00 51.45 C ATOM 1726 O GLU A 111 -9.369 3.082 -13.521 1.00 3.21 O ATOM 1727 CB GLU A 111 -12.759 2.692 -13.424 1.00 41.43 C ATOM 1728 CG GLU A 111 -13.866 3.723 -13.278 1.00 4.21 C ATOM 1729 CD GLU A 111 -14.711 3.500 -12.039 1.00 22.41 C ATOM 1730 OE1 GLU A 111 -14.138 3.151 -10.986 1.00 24.45 O ATOM 1731 OE2 GLU A 111 -15.944 3.673 -12.122 1.00 55.23 O ATOM 0 H GLU A 111 -10.299 1.631 -14.956 1.00 61.53 H new ATOM 0 HA GLU A 111 -11.980 3.946 -14.987 1.00 54.34 H new ATOM 0 HB2 GLU A 111 -13.185 1.766 -13.809 1.00 41.43 H new ATOM 0 HB3 GLU A 111 -12.349 2.469 -12.439 1.00 41.43 H new ATOM 0 HG2 GLU A 111 -13.426 4.720 -13.239 1.00 4.21 H new ATOM 0 HG3 GLU A 111 -14.506 3.691 -14.160 1.00 4.21 H new ATOM 1738 N GLY A 112 -10.685 4.761 -12.807 1.00 3.50 N ATOM 1739 CA GLY A 112 -9.642 5.344 -11.983 1.00 11.41 C ATOM 1740 C GLY A 112 -8.681 6.201 -12.783 1.00 53.04 C ATOM 1741 O GLY A 112 -9.040 6.732 -13.834 1.00 53.12 O ATOM 0 H GLY A 112 -11.575 5.259 -12.788 1.00 3.50 H new ATOM 0 HA2 GLY A 112 -10.098 5.950 -11.200 1.00 11.41 H new ATOM 0 HA3 GLY A 112 -9.087 4.547 -11.487 1.00 11.41 H new ATOM 1745 N SER A 113 -7.457 6.337 -12.285 1.00 45.42 N ATOM 1746 CA SER A 113 -6.442 7.140 -12.958 1.00 55.35 C ATOM 1747 C SER A 113 -5.048 6.575 -12.708 1.00 44.22 C ATOM 1748 O SER A 113 -4.615 6.402 -11.568 1.00 53.15 O ATOM 1749 CB SER A 113 -6.510 8.592 -12.480 1.00 34.11 C ATOM 1750 OG SER A 113 -5.546 9.393 -13.141 1.00 72.53 O ATOM 0 H SER A 113 -7.143 5.902 -11.418 1.00 45.42 H new ATOM 0 HA SER A 113 -6.641 7.108 -14.029 1.00 55.35 H new ATOM 0 HB2 SER A 113 -7.507 8.992 -12.664 1.00 34.11 H new ATOM 0 HB3 SER A 113 -6.344 8.632 -11.403 1.00 34.11 H new ATOM 0 HG SER A 113 -5.611 10.316 -12.819 1.00 72.53 H new ATOM 1756 N PRO A 114 -4.325 6.280 -13.799 1.00 73.01 N ATOM 1757 CA PRO A 114 -4.830 6.481 -15.161 1.00 4.22 C ATOM 1758 C PRO A 114 -5.946 5.505 -15.516 1.00 22.13 C ATOM 1759 O PRO A 114 -6.339 4.672 -14.698 1.00 43.23 O ATOM 1760 CB PRO A 114 -3.599 6.228 -16.036 1.00 33.13 C ATOM 1761 CG PRO A 114 -2.733 5.332 -15.220 1.00 64.33 C ATOM 1762 CD PRO A 114 -2.961 5.726 -13.787 1.00 42.54 C ATOM 0 HA PRO A 114 -5.267 7.471 -15.292 1.00 4.22 H new ATOM 0 HB2 PRO A 114 -3.874 5.760 -16.981 1.00 33.13 H new ATOM 0 HB3 PRO A 114 -3.088 7.159 -16.279 1.00 33.13 H new ATOM 0 HG2 PRO A 114 -2.992 4.286 -15.383 1.00 64.33 H new ATOM 0 HG3 PRO A 114 -1.684 5.448 -15.494 1.00 64.33 H new ATOM 0 HD2 PRO A 114 -2.881 4.870 -13.117 1.00 42.54 H new ATOM 0 HD3 PRO A 114 -2.231 6.463 -13.452 1.00 42.54 H new ATOM 1770 N TYR A 115 -6.452 5.612 -16.739 1.00 15.41 N ATOM 1771 CA TYR A 115 -7.525 4.740 -17.201 1.00 73.12 C ATOM 1772 C TYR A 115 -6.999 3.339 -17.498 1.00 23.05 C ATOM 1773 O TYR A 115 -6.385 3.101 -18.538 1.00 30.32 O ATOM 1774 CB TYR A 115 -8.183 5.325 -18.452 1.00 74.41 C ATOM 1775 CG TYR A 115 -9.691 5.393 -18.367 1.00 75.12 C ATOM 1776 CD1 TYR A 115 -10.325 5.749 -17.183 1.00 4.14 C ATOM 1777 CD2 TYR A 115 -10.483 5.100 -19.471 1.00 13.34 C ATOM 1778 CE1 TYR A 115 -11.702 5.812 -17.100 1.00 12.20 C ATOM 1779 CE2 TYR A 115 -11.861 5.162 -19.398 1.00 13.34 C ATOM 1780 CZ TYR A 115 -12.466 5.518 -18.210 1.00 51.42 C ATOM 1781 OH TYR A 115 -13.839 5.580 -18.133 1.00 24.10 O ATOM 0 H TYR A 115 -6.136 6.294 -17.429 1.00 15.41 H new ATOM 0 HA TYR A 115 -8.268 4.669 -16.407 1.00 73.12 H new ATOM 0 HB2 TYR A 115 -7.791 6.328 -18.623 1.00 74.41 H new ATOM 0 HB3 TYR A 115 -7.903 4.722 -19.316 1.00 74.41 H new ATOM 0 HD1 TYR A 115 -9.730 5.981 -16.312 1.00 4.14 H new ATOM 0 HD2 TYR A 115 -10.013 4.819 -20.402 1.00 13.34 H new ATOM 0 HE1 TYR A 115 -12.178 6.090 -16.171 1.00 12.20 H new ATOM 0 HE2 TYR A 115 -12.462 4.933 -20.266 1.00 13.34 H new ATOM 0 HH TYR A 115 -14.225 5.376 -19.010 1.00 24.10 H new ATOM 1791 N VAL A 116 -7.244 2.414 -16.575 1.00 1.23 N ATOM 1792 CA VAL A 116 -6.797 1.036 -16.736 1.00 22.21 C ATOM 1793 C VAL A 116 -7.909 0.053 -16.389 1.00 14.04 C ATOM 1794 O VAL A 116 -8.811 0.349 -15.604 1.00 42.31 O ATOM 1795 CB VAL A 116 -5.569 0.737 -15.855 1.00 14.24 C ATOM 1796 CG1 VAL A 116 -4.442 1.711 -16.161 1.00 40.13 C ATOM 1797 CG2 VAL A 116 -5.946 0.791 -14.382 1.00 2.23 C ATOM 0 H VAL A 116 -7.750 2.595 -15.708 1.00 1.23 H new ATOM 0 HA VAL A 116 -6.522 0.914 -17.784 1.00 22.21 H new ATOM 0 HB VAL A 116 -5.218 -0.270 -16.081 1.00 14.24 H new ATOM 0 HG11 VAL A 116 -3.583 1.484 -15.529 1.00 40.13 H new ATOM 0 HG12 VAL A 116 -4.156 1.619 -17.209 1.00 40.13 H new ATOM 0 HG13 VAL A 116 -4.778 2.729 -15.965 1.00 40.13 H new ATOM 0 HG21 VAL A 116 -5.067 0.577 -13.773 1.00 2.23 H new ATOM 0 HG22 VAL A 116 -6.323 1.784 -14.139 1.00 2.23 H new ATOM 0 HG23 VAL A 116 -6.718 0.050 -14.177 1.00 2.23 H new ATOM 1807 N PRO A 117 -7.847 -1.147 -16.985 1.00 43.54 N ATOM 1808 CA PRO A 117 -8.841 -2.199 -16.754 1.00 3.22 C ATOM 1809 C PRO A 117 -8.749 -2.784 -15.349 1.00 2.13 C ATOM 1810 O PRO A 117 -7.754 -3.415 -14.992 1.00 22.00 O ATOM 1811 CB PRO A 117 -8.485 -3.259 -17.799 1.00 21.11 C ATOM 1812 CG PRO A 117 -7.037 -3.046 -18.077 1.00 21.12 C ATOM 1813 CD PRO A 117 -6.800 -1.568 -17.932 1.00 34.21 C ATOM 0 HA PRO A 117 -9.860 -1.823 -16.839 1.00 3.22 H new ATOM 0 HB2 PRO A 117 -8.672 -4.265 -17.422 1.00 21.11 H new ATOM 0 HB3 PRO A 117 -9.083 -3.141 -18.703 1.00 21.11 H new ATOM 0 HG2 PRO A 117 -6.419 -3.611 -17.379 1.00 21.12 H new ATOM 0 HG3 PRO A 117 -6.778 -3.386 -19.080 1.00 21.12 H new ATOM 0 HD2 PRO A 117 -5.802 -1.357 -17.548 1.00 34.21 H new ATOM 0 HD3 PRO A 117 -6.890 -1.051 -18.887 1.00 34.21 H new ATOM 1821 N VAL A 118 -9.793 -2.571 -14.554 1.00 51.23 N ATOM 1822 CA VAL A 118 -9.831 -3.079 -13.188 1.00 44.41 C ATOM 1823 C VAL A 118 -10.889 -4.166 -13.035 1.00 4.43 C ATOM 1824 O VAL A 118 -11.285 -4.508 -11.920 1.00 71.44 O ATOM 1825 CB VAL A 118 -10.118 -1.952 -12.178 1.00 41.21 C ATOM 1826 CG1 VAL A 118 -9.049 -0.873 -12.263 1.00 22.10 C ATOM 1827 CG2 VAL A 118 -11.501 -1.364 -12.416 1.00 5.51 C ATOM 0 H VAL A 118 -10.624 -2.050 -14.833 1.00 51.23 H new ATOM 0 HA VAL A 118 -8.848 -3.501 -12.980 1.00 44.41 H new ATOM 0 HB VAL A 118 -10.095 -2.374 -11.173 1.00 41.21 H new ATOM 0 HG11 VAL A 118 -9.269 -0.085 -11.542 1.00 22.10 H new ATOM 0 HG12 VAL A 118 -8.075 -1.308 -12.040 1.00 22.10 H new ATOM 0 HG13 VAL A 118 -9.036 -0.452 -13.268 1.00 22.10 H new ATOM 0 HG21 VAL A 118 -11.688 -0.569 -11.694 1.00 5.51 H new ATOM 0 HG22 VAL A 118 -11.554 -0.957 -13.426 1.00 5.51 H new ATOM 0 HG23 VAL A 118 -12.253 -2.144 -12.299 1.00 5.51 H new ATOM 1837 N HIS A 119 -11.342 -4.705 -14.162 1.00 34.34 N ATOM 1838 CA HIS A 119 -12.355 -5.755 -14.153 1.00 24.52 C ATOM 1839 C HIS A 119 -12.486 -6.395 -15.532 1.00 14.41 C ATOM 1840 O HIS A 119 -12.224 -5.756 -16.551 1.00 52.41 O ATOM 1841 CB HIS A 119 -13.704 -5.189 -13.709 1.00 42.14 C ATOM 1842 CG HIS A 119 -14.870 -5.770 -14.449 1.00 25.14 C ATOM 1843 ND1 HIS A 119 -15.953 -6.342 -13.815 1.00 42.04 N ATOM 1844 CD2 HIS A 119 -15.119 -5.864 -15.776 1.00 24.03 C ATOM 1845 CE1 HIS A 119 -16.817 -6.764 -14.721 1.00 61.11 C ATOM 1846 NE2 HIS A 119 -16.335 -6.486 -15.919 1.00 3.32 N ATOM 0 H HIS A 119 -11.024 -4.433 -15.092 1.00 34.34 H new ATOM 0 HA HIS A 119 -12.042 -6.522 -13.445 1.00 24.52 H new ATOM 0 HB2 HIS A 119 -13.833 -5.373 -12.642 1.00 42.14 H new ATOM 0 HB3 HIS A 119 -13.698 -4.108 -13.847 1.00 42.14 H new ATOM 0 HD1 HIS A 119 -16.069 -6.426 -12.805 1.00 42.04 H new ATOM 0 HD2 HIS A 119 -14.480 -5.515 -16.574 1.00 24.03 H new ATOM 0 HE1 HIS A 119 -17.758 -7.253 -14.517 1.00 61.11 H new ATOM 1854 N PHE A 120 -12.893 -7.659 -15.556 1.00 75.41 N ATOM 1855 CA PHE A 120 -13.058 -8.386 -16.810 1.00 12.41 C ATOM 1856 C PHE A 120 -14.520 -8.762 -17.033 1.00 12.35 C ATOM 1857 O PHE A 120 -15.206 -9.203 -16.110 1.00 71.13 O ATOM 1858 CB PHE A 120 -12.190 -9.645 -16.812 1.00 62.32 C ATOM 1859 CG PHE A 120 -11.610 -9.971 -18.159 1.00 23.13 C ATOM 1860 CD1 PHE A 120 -12.420 -10.433 -19.184 1.00 10.25 C ATOM 1861 CD2 PHE A 120 -10.254 -9.815 -18.400 1.00 73.20 C ATOM 1862 CE1 PHE A 120 -11.889 -10.734 -20.423 1.00 45.02 C ATOM 1863 CE2 PHE A 120 -9.717 -10.114 -19.638 1.00 31.50 C ATOM 1864 CZ PHE A 120 -10.536 -10.573 -20.651 1.00 63.51 C ATOM 0 H PHE A 120 -13.115 -8.202 -14.722 1.00 75.41 H new ATOM 0 HA PHE A 120 -12.741 -7.733 -17.623 1.00 12.41 H new ATOM 0 HB2 PHE A 120 -11.378 -9.518 -16.097 1.00 62.32 H new ATOM 0 HB3 PHE A 120 -12.788 -10.489 -16.469 1.00 62.32 H new ATOM 0 HD1 PHE A 120 -13.479 -10.559 -19.012 1.00 10.25 H new ATOM 0 HD2 PHE A 120 -9.610 -9.456 -17.611 1.00 73.20 H new ATOM 0 HE1 PHE A 120 -12.531 -11.095 -21.213 1.00 45.02 H new ATOM 0 HE2 PHE A 120 -8.659 -9.989 -19.813 1.00 31.50 H new ATOM 0 HZ PHE A 120 -10.119 -10.806 -21.620 1.00 63.51 H new ATOM 1874 N ASP A 121 -14.990 -8.583 -18.262 1.00 60.02 N ATOM 1875 CA ASP A 121 -16.370 -8.904 -18.607 1.00 51.35 C ATOM 1876 C ASP A 121 -16.461 -10.278 -19.263 1.00 21.32 C ATOM 1877 O ASP A 121 -16.909 -11.243 -18.644 1.00 64.31 O ATOM 1878 CB ASP A 121 -16.944 -7.840 -19.544 1.00 53.50 C ATOM 1879 CG ASP A 121 -17.883 -6.886 -18.831 1.00 32.51 C ATOM 1880 OD1 ASP A 121 -18.710 -7.361 -18.024 1.00 11.33 O ATOM 1881 OD2 ASP A 121 -17.791 -5.666 -19.079 1.00 64.43 O ATOM 0 H ASP A 121 -14.436 -8.217 -19.036 1.00 60.02 H new ATOM 0 HA ASP A 121 -16.954 -8.921 -17.687 1.00 51.35 H new ATOM 0 HB2 ASP A 121 -16.126 -7.274 -19.991 1.00 53.50 H new ATOM 0 HB3 ASP A 121 -17.477 -8.328 -20.360 1.00 53.50 H new ATOM 1886 N ALA A 122 -16.034 -10.359 -20.519 1.00 11.22 N ATOM 1887 CA ALA A 122 -16.066 -11.615 -21.257 1.00 53.15 C ATOM 1888 C ALA A 122 -15.328 -11.490 -22.586 1.00 4.23 C ATOM 1889 O ALA A 122 -15.244 -10.404 -23.160 1.00 64.43 O ATOM 1890 CB ALA A 122 -17.504 -12.054 -21.490 1.00 55.55 C ATOM 0 H ALA A 122 -15.662 -9.569 -21.046 1.00 11.22 H new ATOM 0 HA ALA A 122 -15.559 -12.372 -20.659 1.00 53.15 H new ATOM 0 HB1 ALA A 122 -17.513 -12.994 -22.042 1.00 55.55 H new ATOM 0 HB2 ALA A 122 -18.002 -12.193 -20.530 1.00 55.55 H new ATOM 0 HB3 ALA A 122 -18.029 -11.291 -22.064 1.00 55.55 H new ATOM 1896 N SER A 123 -14.793 -12.607 -23.068 1.00 20.22 N ATOM 1897 CA SER A 123 -14.057 -12.621 -24.327 1.00 31.34 C ATOM 1898 C SER A 123 -15.013 -12.668 -25.514 1.00 55.24 C ATOM 1899 O SER A 123 -15.973 -13.439 -25.524 1.00 12.22 O ATOM 1900 CB SER A 123 -13.108 -13.821 -24.374 1.00 15.42 C ATOM 1901 OG SER A 123 -13.805 -15.032 -24.138 1.00 54.31 O ATOM 0 H SER A 123 -14.855 -13.514 -22.606 1.00 20.22 H new ATOM 0 HA SER A 123 -13.473 -11.702 -24.389 1.00 31.34 H new ATOM 0 HB2 SER A 123 -12.618 -13.863 -25.347 1.00 15.42 H new ATOM 0 HB3 SER A 123 -12.324 -13.698 -23.627 1.00 15.42 H new ATOM 0 HG SER A 123 -13.177 -15.783 -24.175 1.00 54.31 H new ATOM 1907 N VAL A 124 -14.744 -11.836 -26.516 1.00 31.40 N ATOM 1908 CA VAL A 124 -15.579 -11.782 -27.710 1.00 61.22 C ATOM 1909 C VAL A 124 -14.997 -12.642 -28.827 1.00 12.13 C ATOM 1910 O VAL A 124 -13.934 -13.241 -28.672 1.00 5.24 O ATOM 1911 CB VAL A 124 -15.737 -10.337 -28.219 1.00 71.23 C ATOM 1912 CG1 VAL A 124 -17.204 -9.934 -28.235 1.00 3.11 C ATOM 1913 CG2 VAL A 124 -14.921 -9.379 -27.364 1.00 73.23 C ATOM 0 H VAL A 124 -13.954 -11.190 -26.524 1.00 31.40 H new ATOM 0 HA VAL A 124 -16.558 -12.170 -27.430 1.00 61.22 H new ATOM 0 HB VAL A 124 -15.360 -10.286 -29.241 1.00 71.23 H new ATOM 0 HG11 VAL A 124 -17.296 -8.910 -28.597 1.00 3.11 H new ATOM 0 HG12 VAL A 124 -17.758 -10.603 -28.893 1.00 3.11 H new ATOM 0 HG13 VAL A 124 -17.610 -10.000 -27.226 1.00 3.11 H new ATOM 0 HG21 VAL A 124 -15.044 -8.363 -27.738 1.00 73.23 H new ATOM 0 HG22 VAL A 124 -15.265 -9.430 -26.331 1.00 73.23 H new ATOM 0 HG23 VAL A 124 -13.868 -9.657 -27.410 1.00 73.23 H new ATOM 1923 N GLU A 125 -15.702 -12.697 -29.952 1.00 75.32 N ATOM 1924 CA GLU A 125 -15.255 -13.485 -31.095 1.00 54.32 C ATOM 1925 C GLU A 125 -14.607 -12.593 -32.150 1.00 54.23 C ATOM 1926 O GLU A 125 -13.623 -12.976 -32.783 1.00 11.02 O ATOM 1927 CB GLU A 125 -16.431 -14.247 -31.709 1.00 35.43 C ATOM 1928 CG GLU A 125 -16.013 -15.463 -32.519 1.00 4.41 C ATOM 1929 CD GLU A 125 -17.147 -16.028 -33.351 1.00 31.30 C ATOM 1930 OE1 GLU A 125 -18.320 -15.812 -32.979 1.00 64.12 O ATOM 1931 OE2 GLU A 125 -16.863 -16.687 -34.373 1.00 1.00 O ATOM 0 H GLU A 125 -16.584 -12.206 -30.097 1.00 75.32 H new ATOM 0 HA GLU A 125 -14.512 -14.201 -30.742 1.00 54.32 H new ATOM 0 HB2 GLU A 125 -17.102 -14.566 -30.912 1.00 35.43 H new ATOM 0 HB3 GLU A 125 -16.996 -13.571 -32.350 1.00 35.43 H new ATOM 0 HG2 GLU A 125 -15.186 -15.191 -33.175 1.00 4.41 H new ATOM 0 HG3 GLU A 125 -15.643 -16.235 -31.844 1.00 4.41 H new